A0A3Q0KSD3_SCHMA Loading...

separase

AlphaFold DB (A0A5K4EVZ1), UniProt , Accession A0A3Q0KSD3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,428 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
1M58Low81.7Confident99 Ų9936.9 Ų36.949%0.48822%0.217SC..  0137.50-78.2179.517000108.4Q84 L85 R88M1-Q84 HydrophobicContact CE-CB 4.02Å; M1-L85 HydrophobicContact CE-CB 4.05Å; M1-L85 HydrophobicContact CE-CD1 4.43Å; M1-R88 VanDerWaalsContact SD-CD 3.59Å
2F71.1Confident82Confident7 Ų735.3 Ų35.33%0.03121%0.209CC..  trans-60.8160.2172.258.3-89000112.6L4 C67 E70 L71 L85 R88 V89 L92F2-L4 HydrophobicContact CD2-CD2 4.41Å; F2-L4 HydrophobicContact CD2-CG 4.4Å; F2-L4 HydrophobicContact CE2-CD2 4.06Å; F2-L4 HydrophobicContact CE2-CG 4.07Å; F2-C67 HydrophobicContact CD2-CB 4.09Å; F2-E70 WeakPolarHBondContact CA-OE2 3.47Å; F2-E70 HydrophobicContact CB-CB 3.54Å; F2-E70 HydrophobicContact CB-CG 4.47Å; F2-E70 WeakPolarHBondContact CB-OE2 3.18Å; F2-L71 HydrophobicContact CD1-CB 4.1Å; F2-L71 HydrophobicContact CD1-CD1 4.27Å; F2-L71 HydrophobicContact CE1-CB 4.36Å; F2-L71 HydrophobicContact CE1-CD1 3.95Å; F2-L85 HydrophobicContact CE1-CD1 4.24Å; F2-R88 HydrophobicContact CE2-CB 4.39Å; F2-R88 HydrophobicContact CZ-CB 3.81Å; F2-V89 HydrophobicContact CE1-CG2 4.11Å; F2-V89 HydrophobicContact CZ-CG2 4.18Å; F2-L92 HydrophobicContact CE2-CB 4.38Å; F2-L92 HydrophobicContact CE2-CD2 3.98Å; F2-L92 HydrophobicContact CZ-CD2 4.25Å
3S77.4Confident82.5Confident75 Ų7538.4 Ų38.452%0.52422%0.215SC..  trans-112.296.7-171.9-1690000114.7G5 G6 E70S3-G5 PolarHBondContact O-N 3.35Å; S3-G6 PolarHBondContact O-N 3.18Å; S3-E70 PolarHBondContact N-OE2 2.79Å; S3-E70 VanDerWaalsContact N-OE2 3.11Å
4L83.2Confident82.8Confident13 Ų1335.7 Ų35.77%0.06820%0.2CC..THydrogen-bonded Turntrans-60.4-12.1168.4-64.2176.2000113.7F2 G6 F7 F8 L91 L92 L95F2-L4 HydrophobicContact CD2-CD2 4.41Å; F2-L4 HydrophobicContact CD2-CG 4.4Å; F2-L4 HydrophobicContact CE2-CD2 4.06Å; F2-L4 HydrophobicContact CE2-CG 4.07Å; L4-G6 PolarHBondContact O-N 3.07Å; L4-F7 PolarHBondContact O-N 3.06Å; L4-F8 HydrophobicContact CB-CD2 4.25Å; L4-F8 HydrophobicContact CB-CE2 4.03Å; L4-F8 VanDerWaalsContact O-CD2 3.27Å; L4-F8 WeakPolarHBondContact O-CD2 3.31Å; L4-F8 PolarHBondContact O-N 3.26Å; L4-F8 VanDerWaalsContact O-N 3.17Å; L4-L91 HydrophobicContact CD1-CD2 3.55Å; L4-L91 HydrophobicContact CD1-CG 3.87Å; L4-L92 HydrophobicContact CD2-CB 4.36Å; L4-L92 HydrophobicContact CD2-CD1 3.8Å; L4-L95 HydrophobicContact CD2-CD1 4.24Å
5G80.9Confident82.9Confident32 Ų3234.7 Ų34.733%0.3320%0.195SC..Hα-helixtrans-60.4-30.8178.200000113.5S3 F9S3-G5 PolarHBondContact O-N 3.35Å; G5-F9 VanDerWaalsContact O-CB 3.24Å; G5-F9 WeakPolarHBondContact O-CB 3.47Å; G5-F9 PolarHBondContact O-N 3.1Å
6G85Confident82.9Confident23 Ų2335.4 Ų35.424%0.23720%0.203CC..Hα-helixtrans-64.4-44.2175.100000112.6S3 L4 F9 E10S3-G6 PolarHBondContact O-N 3.18Å; L4-G6 PolarHBondContact O-N 3.07Å; G6-F9 PolarHBondContact O-N 3.43Å; G6-E10 PolarHBondContact O-N 3.22Å
7F89.6Confident83Confident0 Ų034.9 Ų34.90%020%0.199CC..Hα-helixtrans-62.1-49.5174.8166.9-96.9000111.9L4 F9 E10 L11 V60 Q63 L64 L95 H99 W362L4-F7 PolarHBondContact O-N 3.06Å; F7-F9 VanDerWaalsContact C-N 3.3Å; F7-F9 PolarHBondContact O-N 3.17Å; F7-E10 PolarHBondContact O-N 3.3Å; F7-L11 HydrophobicContact CE1-CD2 4.05Å; F7-L11 HydrophobicContact CZ-CD2 3.94Å; F7-L11 WeakPolarHBondContact O-CB 3.29Å; F7-L11 PolarHBondContact O-N 3.03Å; F7-V60 HydrophobicContact CD2-CG1 3.7Å; F7-V60 HydrophobicContact CE2-CG1 3.42Å; F7-V60 VanDerWaalsContact CE2-CG1 3.42Å; F7-V60 HydrophobicContact CZ-CG1 4.46Å; F7-Q63 HydrophobicContact CB-CB 4.03Å; F7-L64 HydrophobicContact CB-CD2 4.24Å; F7-L64 HydrophobicContact CD1-CD2 4.46Å; F7-L64 HydrophobicContact CD2-CD1 4.11Å; F7-L64 HydrophobicContact CD2-CD2 3.5Å; F7-L64 HydrophobicContact CD2-CG 3.65Å; F7-L64 HydrophobicContact CE2-CD1 3.91Å; F7-L64 HydrophobicContact CE2-CD2 3.91Å; F7-L64 HydrophobicContact CE2-CG 3.99Å; F7-L64 HydrophobicContact CG-CD2 3.81Å; F7-L64 HydrophobicContact CG-CG 4.41Å; F7-L95 HydrophobicContact CD1-CD1 3.91Å; F7-L95 HydrophobicContact CD1-CD2 4.48Å; F7-L95 HydrophobicContact CE1-CD1 3.81Å; F7-L95 HydrophobicContact CE1-CD2 3.56Å; F7-L95 HydrophobicContact CE1-CG 4.24Å; F7-L95 HydrophobicContact CZ-CD1 4.47Å; F7-L95 HydrophobicContact CZ-CD2 3.82Å; F7-H99 AromaticContact CE2-CD2 3.92Å; F7-H99 AromaticContact CE2-NE2 3.45Å; F7-H99 WeakPolarHBondContact CE2-NE2 3.5Å; F7-H99 AromaticContact CZ-CD2 4Å; F7-H99 AromaticContact CZ-NE2 3.45Å; F7-H99 WeakPolarHBondContact CZ-NE2 3.31Å; F7-W362 HydrophobicContact CE1-CZ2 4.38Å
8F88.3Confident82.9Confident8 Ų833.8 Ų33.84%0.03519%0.193CC..Hα-helixtrans-67.8-29.4-179.6-70.1-59.6000113.3L4 S12 L95 W348 L358 W362L4-F8 HydrophobicContact CB-CD2 4.25Å; L4-F8 HydrophobicContact CB-CE2 4.03Å; L4-F8 VanDerWaalsContact O-CD2 3.27Å; L4-F8 WeakPolarHBondContact O-CD2 3.31Å; L4-F8 PolarHBondContact O-N 3.26Å; L4-F8 VanDerWaalsContact O-N 3.17Å; F8-S12 VanDerWaalsContact O-CB 3.25Å; F8-S12 WeakPolarHBondContact O-CB 3.35Å; F8-S12 PolarHBondContact O-N 2.96Å; F8-S12 VanDerWaalsContact O-N 3.08Å; F8-L95 HydrophobicContact CZ-CD1 4.1Å; F8-W348 HydrophobicContact CB-CB 4.42Å; F8-L358 HydrophobicContact CE2-CD1 3.98Å; F8-L358 HydrophobicContact CZ-CD1 4.36Å; F8-L358 HydrophobicContact CZ-CD2 4.31Å; F8-W362 AromaticContact CE1-CE2 3.95Å; F8-W362 HydrophobicContact CE1-CZ2 4.02Å; F8-W362 AromaticContact CE1-NE1 3.43Å; F8-W362 AromaticContact CZ-NE1 3.74Å
9F88.6Confident82.6Confident110 Ų11037.9 Ų37.948%0.48221%0.21SC..Hα-helixtrans-64.8-54.9170.2177.4-96.8000111.2G5 G6 F7 L11 S12 R13G5-F9 VanDerWaalsContact O-CB 3.24Å; G5-F9 WeakPolarHBondContact O-CB 3.47Å; G5-F9 PolarHBondContact O-N 3.1Å; G6-F9 PolarHBondContact O-N 3.43Å; F7-F9 VanDerWaalsContact C-N 3.3Å; F7-F9 PolarHBondContact O-N 3.17Å; F9-L11 PolarHBondContact O-N 3.3Å; F9-S12 PolarHBondContact O-N 2.65Å; F9-R13 VanDerWaalsContact O-CB 3.23Å; F9-R13 WeakPolarHBondContact O-CB 3.37Å; F9-R13 PolarHBondContact O-N 2.67Å
10E88.2Confident82.3Confident24 Ų2438.6 Ų38.611%0.11222%0.217CC..Hα-helixtrans-60.6-46.1179.9-71.8-55.4128.800112.2G6 F7 S12 R13 C14 C59 V60 Q63G6-E10 PolarHBondContact O-N 3.22Å; F7-E10 PolarHBondContact O-N 3.3Å; E10-S12 PolarHBondContact O-N 3.02Å; E10-R13 WeakPolarHBondContact O-CB 3.35Å; E10-R13 PolarHBondContact O-N 3.1Å; E10-R13 VanDerWaalsContact O-N 3.1Å; E10-R13 IonicContact OE1-NE 3.74Å; E10-R13 PolarHBondContact OE1-NE 3.2Å; E10-R13 IonicContact OE2-CZ 3.63Å; E10-R13 IonicContact OE2-NE 3.99Å; E10-R13 PolarHBondContact OE2-NE 3.34Å; E10-R13 IonicContact OE2-NH2 3.68Å; E10-R13 PolarHBondContact OE2-NH2 3.32Å; E10-C14 PolarHBondContact O-N 3.21Å; E10-C14 PolarHBondContact O-SG 2.97Å; E10-C14 VanDerWaalsContact O-SG 3.35Å; E10-C59 PolarHBondContact OE2-SG 3.44Å; E10-V60 HydrophobicContact CB-CG2 4.27Å; E10-Q63 HydrophobicContact CB-CG 4.42Å; E10-Q63 HydrophobicContact CG-CG 3.86Å
11L88.3Confident81.8Confident15 Ų1537.2 Ų37.28%0.07921%0.209CC..Hα-helixtrans-57.7-48.4176.2-178.763.4000111.3F7 F9 R13 T15 W362F7-L11 HydrophobicContact CE1-CD2 4.05Å; F7-L11 HydrophobicContact CZ-CD2 3.94Å; F7-L11 WeakPolarHBondContact O-CB 3.29Å; F7-L11 PolarHBondContact O-N 3.03Å; F9-L11 PolarHBondContact O-N 3.3Å; L11-R13 VanDerWaalsContact C-N 3.3Å; L11-R13 PolarHBondContact O-N 3.27Å; L11-T15 WeakPolarHBondContact O-CB 3.46Å; L11-T15 PolarHBondContact O-N 2.87Å; L11-T15 PolarHBondContact O-OG1 2.91Å; L11-W362 HydrophobicContact CD2-CH2 3.95Å; L11-W362 HydrophobicContact CD2-CZ2 3.92Å
12S85.2Confident82.2Confident17 Ų1735.8 Ų35.812%0.11921%0.206CC..Hα-helixtrans-64.7-33176.7-178.10000113F8 F9 E10 S16 T345F8-S12 VanDerWaalsContact O-CB 3.25Å; F8-S12 WeakPolarHBondContact O-CB 3.35Å; F8-S12 PolarHBondContact O-N 2.96Å; F8-S12 VanDerWaalsContact O-N 3.08Å; F9-S12 PolarHBondContact O-N 2.65Å; E10-S12 PolarHBondContact O-N 3.02Å; S12-S16 VanDerWaalsContact O-CB 3.29Å; S12-S16 WeakPolarHBondContact O-CB 3.25Å; S12-S16 PolarHBondContact O-N 3.37Å; S12-T345 PolarHBondContact OG-O 3.38Å
13R88.8Confident81.6Confident76 Ų7637.5 Ų37.529%0.28722%0.218SC..Hα-helixtrans-68.2-52.9-179.9-168-179.773.869.69.9109.9F9 E10 L11 T15 S16 L17 E446F9-R13 VanDerWaalsContact O-CB 3.23Å; F9-R13 WeakPolarHBondContact O-CB 3.37Å; F9-R13 PolarHBondContact O-N 2.67Å; E10-R13 WeakPolarHBondContact O-CB 3.35Å; E10-R13 PolarHBondContact O-N 3.1Å; E10-R13 VanDerWaalsContact O-N 3.1Å; E10-R13 IonicContact OE1-NE 3.74Å; E10-R13 PolarHBondContact OE1-NE 3.2Å; E10-R13 IonicContact OE2-CZ 3.63Å; E10-R13 IonicContact OE2-NE 3.99Å; E10-R13 PolarHBondContact OE2-NE 3.34Å; E10-R13 IonicContact OE2-NH2 3.68Å; E10-R13 PolarHBondContact OE2-NH2 3.32Å; L11-R13 VanDerWaalsContact C-N 3.3Å; L11-R13 PolarHBondContact O-N 3.27Å; R13-T15 PolarHBondContact O-N 2.62Å; R13-S16 PolarHBondContact O-N 3.32Å; R13-L17 HydrophobicContact CG-CD1 4.45Å; R13-L17 WeakPolarHBondContact O-CG 3.33Å; R13-L17 PolarHBondContact O-N 2.74Å; R13-E446 IonicContact CZ-OE1 3.25Å; R13-E446 IonicContact NH1-OE1 3.64Å; R13-E446 PolarHBondContact NH1-OE1 3.44Å; R13-E446 IonicContact NH2-OE1 2.91Å
14C86.3Confident80.1Confident1 Ų136.5 Ų36.51%0.00721%0.211CC..Hα-helixtrans-64.7-39.2178-61.10000112.3E10 L17 L18 C59 H403 L445E10-C14 PolarHBondContact O-N 3.21Å; E10-C14 PolarHBondContact O-SG 2.97Å; E10-C14 VanDerWaalsContact O-SG 3.35Å; C14-L17 PolarHBondContact O-N 3.21Å; C14-L18 PolarHBondContact O-N 2.92Å; C14-C59 PolarHBondContact SG-SG 2.77Å; C14-H403 VanDerWaalsContact CB-CE1 3.4Å; C14-H403 WeakPolarHBondContact CB-CE1 3.5Å; C14-H403 WeakPolarHBondContact CB-NE2 3.29Å; C14-H403 PolarHBondContact O-CE1 3.47Å; C14-H403 PolarHBondContact O-NE2 2.99Å; C14-L445 HydrophobicContact CB-CD1 4.07Å
15T84.2Confident78.2Confident21 Ų2141.5 Ų41.513%0.12924%0.241CC..Hα-helixtrans-63.9-39.7172.8-60.70000111.8L11 R13 L17 Q19 R401 H403L11-T15 WeakPolarHBondContact O-CB 3.46Å; L11-T15 PolarHBondContact O-N 2.87Å; L11-T15 PolarHBondContact O-OG1 2.91Å; R13-T15 PolarHBondContact O-N 2.62Å; T15-L17 VanDerWaalsContact C-N 3.34Å; T15-Q19 VanDerWaalsContact O-CG 3.31Å; T15-Q19 WeakPolarHBondContact O-CG 3.34Å; T15-Q19 PolarHBondContact O-N 3.26Å; T15-Q19 VanDerWaalsContact O-N 3.1Å; T15-R401 PolarHBondContact OG1-O 3.04Å; T15-R401 VanDerWaalsContact OG1-O 3.12Å; T15-H403 PolarHBondContact N-NE2 2.73Å; T15-H403 VanDerWaalsContact N-NE2 3.17Å
16S83.2Confident76.1Confident45 Ų4544.8 Ų44.832%0.31526%0.258SS..Hα-helixtrans-67.5-33.4176.5-168.20000112.7S12 R13 S20S12-S16 VanDerWaalsContact O-CB 3.29Å; S12-S16 WeakPolarHBondContact O-CB 3.25Å; S12-S16 PolarHBondContact O-N 3.37Å; R13-S16 PolarHBondContact O-N 3.32Å; S16-S20 PolarHBondContact O-N 2.97Å; S16-S20 PolarHBondContact O-OG 3.1Å
17L85.2Confident74.2Confident28 Ų2846.3 Ų46.315%0.14726%0.261CS..Hα-helixtrans-70.6-46.5176.5-70.1163.4000111.2R13 C14 T15 Q19 S20 I21 L445 E446 V449R13-L17 HydrophobicContact CG-CD1 4.45Å; R13-L17 WeakPolarHBondContact O-CG 3.33Å; R13-L17 PolarHBondContact O-N 2.74Å; C14-L17 PolarHBondContact O-N 3.21Å; T15-L17 VanDerWaalsContact C-N 3.34Å; L17-Q19 PolarHBondContact O-N 3.3Å; L17-S20 WeakPolarHBondContact CA-OG 3.48Å; L17-S20 WeakPolarHBondContact O-CA 3.35Å; L17-S20 PolarHBondContact O-N 2.76Å; L17-S20 PolarHBondContact O-OG 3.05Å; L17-I21 WeakPolarHBondContact O-CG1 3.45Å; L17-I21 PolarHBondContact O-N 3.05Å; L17-L445 HydrophobicContact CB-CB 3.94Å; L17-L445 HydrophobicContact CB-CD1 4.26Å; L17-L445 HydrophobicContact CD1-CB 4.02Å; L17-E446 HydrophobicContact CD1-CG 4.09Å; L17-E446 WeakPolarHBondContact CD1-OE1 3.27Å; L17-V449 HydrophobicContact CD2-CG2 3.96Å
18L81.5Confident72.1Confident15 Ų1549.6 Ų49.68%0.07928%0.278CS..Hα-helixtrans-55.5-40.5172.6-79.1-177.1000112.3C14 S20 I21 V22 A49 Q400 H403 L445C14-L18 PolarHBondContact O-N 2.92Å; L18-S20 PolarHBondContact O-N 2.96Å; L18-I21 PolarHBondContact O-N 2.85Å; L18-I21 VanDerWaalsContact O-N 3.11Å; L18-V22 PolarHBondContact O-N 3.31Å; L18-A49 VanDerWaalsContact CD2-O 3.25Å; L18-A49 WeakPolarHBondContact CD2-O 3.37Å; L18-Q400 WeakPolarHBondContact CD1-O 3.44Å; L18-H403 WeakPolarHBondContact CD1-CE1 3.43Å; L18-L445 HydrophobicContact CD2-CD2 3.74Å; L18-L445 HydrophobicContact CG-CD1 4.34Å; L18-L445 HydrophobicContact CG-CD2 4.36Å
19Q77Confident69.7Low112 Ų11251.6 Ų51.652%0.52330%0.3SS..Hα-helixtrans-64.3-20.1175.6-75.7175.5-1600114.1T15 L17T15-Q19 VanDerWaalsContact O-CG 3.31Å; T15-Q19 WeakPolarHBondContact O-CG 3.34Å; T15-Q19 PolarHBondContact O-N 3.26Å; T15-Q19 VanDerWaalsContact O-N 3.1Å; L17-Q19 PolarHBondContact O-N 3.3Å
20S75.5Confident67.4Low50 Ų5054.5 Ų54.535%0.3531%0.308SS..Hα-helixtrans-92.3-13.6172.652.60000114.5S16 L17 L18 V449 R452S16-S20 PolarHBondContact O-N 2.97Å; S16-S20 PolarHBondContact O-OG 3.1Å; L17-S20 WeakPolarHBondContact CA-OG 3.48Å; L17-S20 WeakPolarHBondContact O-CA 3.35Å; L17-S20 PolarHBondContact O-N 2.76Å; L17-S20 PolarHBondContact O-OG 3.05Å; L18-S20 PolarHBondContact O-N 2.96Å; S20-V449 WeakPolarHBondContact OG-CG2 3.32Å; S20-R452 PolarHBondContact O-NH1 3.11Å
21I71.5Confident65.1Low11 Ų1156 Ų566%0.05632%0.317CS..Hα-helixtrans-97.4-49.2176.4-53158.2000110.6L17 L18 P23 A49 L445 L448 V449 R452L17-I21 WeakPolarHBondContact O-CG1 3.45Å; L17-I21 PolarHBondContact O-N 3.05Å; L18-I21 PolarHBondContact O-N 2.85Å; L18-I21 VanDerWaalsContact O-N 3.11Å; I21-P23 WeakPolarHBondContact O-CD 3.45Å; I21-A49 HydrophobicContact CG2-CB 3.66Å; I21-L445 HydrophobicContact CD1-CB 4.41Å; I21-L445 HydrophobicContact CD1-CD2 3.79Å; I21-L448 HydrophobicContact CD1-CB 3.77Å; I21-L448 HydrophobicContact CD1-CD1 4.24Å; I21-L448 HydrophobicContact CG1-CB 4.21Å; I21-V449 HydrophobicContact CD1-CG2 4.01Å; I21-V449 HydrophobicContact CG1-CG2 3.5Å; I21-R452 PolarHBondContact O-NE 3.46Å; I21-R452 PolarHBondContact O-NH1 3.15Å; I21-R452 PolarHBondContact O-NH2 3.12Å
22V67.9Low62.7Low69 Ų6963 Ų6342%0.41835%0.349SS..SBendtrans-78.1115.8175-1760000108.4L18L18-V22 PolarHBondContact O-N 3.31Å
23P57.5Low60.4Low43 Ų4366 Ų6628%0.27937%0.37SS..  trans-63.3144.5178.426.6-33.1000111I21 D27 I28I21-P23 WeakPolarHBondContact O-CD 3.45Å; P23-D27 HydrophobicContact CB-CB 4.03Å; P23-I28 HydrophobicContact CB-CG1 4.21Å; P23-I28 HydrophobicContact CG-CG1 4.13Å
24S46.2Very low57.8Low53 Ų5365.3 Ų65.337%0.37137%0.374SS..  trans-70.6160.3165.579.10000110C26 D27 I28S24-C26 PolarHBondContact O-N 3.12Å; S24-C26 VanDerWaalsContact O-N 3.11Å; S24-C26 PolarHBondContact OG-N 2.72Å; S24-D27 VanDerWaalsContact CB-OD2 3.25Å; S24-D27 WeakPolarHBondContact CB-OD2 3.45Å; S24-D27 PolarHBondContact N-OD2 2.86Å; S24-D27 PolarHBondContact O-N 3.03Å; S24-D27 VanDerWaalsContact OG-CG 3.29Å; S24-D27 PolarHBondContact OG-N 3.19Å; S24-D27 PolarHBondContact OG-OD2 2.98Å; S24-I28 PolarHBondContact O-N 2.87Å
25V42.4Very low55.4Low118 Ų11870 Ų7072%0.71540%0.404SS*.Hα-helixtrans-56.7-29.3174.8-176.40000111.3
26C37Very low53.1Low102 Ų10275.1 Ų75.169%0.68943%0.431SS*.Hα-helixtrans-73.1-22.9175-57.30000113.9S24S24-C26 PolarHBondContact O-N 3.12Å; S24-C26 VanDerWaalsContact O-N 3.11Å; S24-C26 PolarHBondContact OG-N 2.72Å
27D46.1Very low50.8Low55 Ų5578.8 Ų78.829%0.29444%0.442SS..Hα-helixtrans-86.8-28.2177-57.8-58000112.3P23 S24 G29 R30 L31P23-D27 HydrophobicContact CB-CB 4.03Å; S24-D27 VanDerWaalsContact CB-OD2 3.25Å; S24-D27 WeakPolarHBondContact CB-OD2 3.45Å; S24-D27 PolarHBondContact N-OD2 2.86Å; S24-D27 PolarHBondContact O-N 3.03Å; S24-D27 VanDerWaalsContact OG-CG 3.29Å; S24-D27 PolarHBondContact OG-N 3.19Å; S24-D27 PolarHBondContact OG-OD2 2.98Å; D27-G29 VanDerWaalsContact C-N 3.34Å; D27-G29 PolarHBondContact O-N 3.15Å; D27-R30 WeakPolarHBondContact O-CA 3.42Å; D27-R30 WeakPolarHBondContact O-CB 3.42Å; D27-R30 PolarHBondContact O-N 3.15Å; D27-R30 IonicContact OD1-NH1 2.67Å; D27-L31 PolarHBondContact O-N 2.94Å
28I44.7Very low48.2Very low69 Ų6981.1 Ų81.135%0.35446%0.457SS..Hα-helixtrans-58.4-48.3174.9-62.4174.1000110P23 S24 R30 L31 E32P23-I28 HydrophobicContact CB-CG1 4.21Å; P23-I28 HydrophobicContact CG-CG1 4.13Å; S24-I28 PolarHBondContact O-N 2.87Å; I28-R30 PolarHBondContact O-N 3.34Å; I28-R30 VanDerWaalsContact O-N 3.1Å; I28-L31 PolarHBondContact O-N 3.21Å; I28-E32 PolarHBondContact O-N 2.9Å
29G39.3Very low46.1Very low49 Ų4984.3 Ų84.351%0.50548%0.481SS..Hα-helixtrans-64.8-11.317500000115D27D27-G29 VanDerWaalsContact C-N 3.34Å; D27-G29 PolarHBondContact O-N 3.15Å
30R39.9Very low44Very low172 Ų17286.6 Ų86.665%0.64949%0.491SS*.Hα-helixtrans-87.6-43.9167.5-66.7175.7170.2173.9-5.3111.1D27 I28 E32 S33D27-R30 WeakPolarHBondContact O-CA 3.42Å; D27-R30 WeakPolarHBondContact O-CB 3.42Å; D27-R30 PolarHBondContact O-N 3.15Å; D27-R30 IonicContact OD1-NH1 2.67Å; I28-R30 PolarHBondContact O-N 3.34Å; I28-R30 VanDerWaalsContact O-N 3.1Å; R30-E32 VanDerWaalsContact C-N 3.31Å; R30-E32 PolarHBondContact O-N 3.32Å; R30-S33 WeakPolarHBondContact O-CB 3.36Å; R30-S33 PolarHBondContact O-N 3.29Å; R30-S33 PolarHBondContact O-OG 2.74Å
31L39.7Very low41.9Very low55 Ų5592.9 Ų92.929%0.28851%0.509SS..Hα-helixtrans-58.2-40.8176.4-105.769.6000112.4D27 I28 S33 T34 F37D27-L31 PolarHBondContact O-N 2.94Å; I28-L31 PolarHBondContact O-N 3.21Å; L31-S33 PolarHBondContact O-N 3.11Å; L31-T34 WeakPolarHBondContact CA-OG1 3.42Å; L31-T34 PolarHBondContact O-N 2.85Å; L31-T34 VanDerWaalsContact O-N 3.15Å; L31-T34 PolarHBondContact O-OG1 3.36Å; L31-F37 HydrophobicContact CD2-CD2 4.37Å; L31-F37 HydrophobicContact CD2-CE2 3.79Å; L31-F37 HydrophobicContact CD2-CZ 4.19Å; L31-F37 HydrophobicContact CG-CD2 4.5Å; L31-F37 HydrophobicContact CG-CE2 4.38Å
32E38.4Very low40.3Very low162 Ų16295.9 Ų95.976%0.75753%0.525SS*.THydrogen-bonded Turntrans-65-18.5176.3-69-178.3166.400113.7I28 R30I28-E32 PolarHBondContact O-N 2.9Å; R30-E32 VanDerWaalsContact C-N 3.31Å; R30-E32 PolarHBondContact O-N 3.32Å
33S36.3Very low39Very low79 Ų7997.6 Ų97.655%0.55253%0.528SS*.THydrogen-bonded Turntrans-85.9-13.7176.477.90000113.9R30 L31 P35R30-S33 WeakPolarHBondContact O-CB 3.36Å; R30-S33 PolarHBondContact O-N 3.29Å; R30-S33 PolarHBondContact O-OG 2.74Å; L31-S33 PolarHBondContact O-N 3.11Å; S33-P35 WeakPolarHBondContact O-CD 3.5Å
34T34.9Very low38.4Very low62 Ų6299.7 Ų99.738%0.3854%0.544SS..  trans-78.9116.8-178.7-2.10000111.2L31 N36 F37L31-T34 WeakPolarHBondContact CA-OG1 3.42Å; L31-T34 PolarHBondContact O-N 2.85Å; L31-T34 VanDerWaalsContact O-N 3.15Å; L31-T34 PolarHBondContact O-OG1 3.36Å; T34-N36 PolarHBondContact O-N 2.97Å; T34-F37 PolarHBondContact O-N 3.41Å
35P35.9Very low38.6Very low99 Ų9999.7 Ų99.764%0.64354%0.538SS*.THydrogen-bonded Turntrans-64.7-11.9-169.7-26.536.4000117.3S33S33-P35 WeakPolarHBondContact O-CD 3.5Å
36N34.2Very low38.9Very low130 Ų13096.2 Ų96.270%0.69551%0.514SS*.THydrogen-bonded Turntrans-115.721.2-172.3-69.74.6000113.4T34 T38T34-N36 PolarHBondContact O-N 2.97Å; N36-T38 VanDerWaalsContact C-N 3.34Å; N36-T38 PolarHBondContact O-N 3.48Å
37F35Very low39.7Very low122 Ų12295.4 Ų95.454%0.53551%0.505SS..  trans-75.682.2178.2-164.7-95.2000112L31 T34 L42L31-F37 HydrophobicContact CD2-CD2 4.37Å; L31-F37 HydrophobicContact CD2-CE2 3.79Å; L31-F37 HydrophobicContact CD2-CZ 4.19Å; L31-F37 HydrophobicContact CG-CD2 4.5Å; L31-F37 HydrophobicContact CG-CE2 4.38Å; T34-F37 PolarHBondContact O-N 3.41Å; F37-L42 HydrophobicContact CZ-CD1 4.24Å
38T32.4Very low40.7Very low76 Ų7694.3 Ų94.347%0.46650%0.498SS..  trans-83.6116.9170.843.40000110.4N36 E40N36-T38 VanDerWaalsContact C-N 3.34Å; N36-T38 PolarHBondContact O-N 3.48Å; T38-E40 PolarHBondContact O-N 2.95Å
39S36.8Very low41.6Very low83 Ų8391.4 Ų91.458%0.5848%0.483SS*.G310 helixtrans-68.55.8-175.5-171.80000115.2
40E32.2Very low43.3Very low159 Ų15989.7 Ų89.774%0.74347%0.466SS*.G310 helixtrans-83.6-9.5-175.2-64.1-178.9139.400113.3T38T38-E40 PolarHBondContact O-N 2.95Å
41Y31.6Very low45.5Very low183 Ų18381.9 Ų81.972%0.71844%0.437SS*.G310 helixtrans-107.28.8-176.1-82.6-76.5000116E43Y41-E43 PolarHBondContact O-N 2.96Å; Y41-E43 VanDerWaalsContact O-N 3.11Å
42L37.9Very low47.8Very low74 Ų7479.4 Ų79.439%0.38742%0.424SS..  trans-73.2102.2165.3-74.695.8000109.1F37 E46F37-L42 HydrophobicContact CZ-CD1 4.24Å; L42-E46 HydrophobicContact CD2-CB 4.24Å; L42-E46 WeakPolarHBondContact CG-OE2 3.48Å
43E40.8Very low50.2Low104 Ų10471.9 Ų71.949%0.48639%0.389SS..  trans-53.7150.5166.9-65.5-171.8145.300109.9Y41 E45 E46 K451Y41-E43 PolarHBondContact O-N 2.96Å; Y41-E43 VanDerWaalsContact O-N 3.11Å; E43-E45 PolarHBondContact O-N 3.05Å; E43-E46 PolarHBondContact O-N 2.94Å; E43-K451 IonicContact OE2-NZ 3.3Å; E43-K451 PolarHBondContact OE2-NZ 3.39Å
44S43.9Very low52.8Low87 Ų8768.5 Ų68.561%0.60837%0.365SS*.THydrogen-bonded Turntrans-59.6-15.6-17758.60000114.1Y48S44-Y48 WeakPolarHBondContact O-CD2 3.45Å
45E50.6Low55.4Low54 Ų5470.8 Ų70.825%0.25237%0.37SS..THydrogen-bonded Turntrans-71.8-39.6173.9-56.3-175.1160.900112.6E43 V47 Y48 A49 V443 L448 K451E43-E45 PolarHBondContact O-N 3.05Å; E45-V47 VanDerWaalsContact C-N 3.26Å; E45-V47 PolarHBondContact O-N 3.23Å; E45-Y48 CarbonylContact O-C 3.59Å; E45-Y48 PolarHBondContact O-N 3.43Å; E45-A49 PolarHBondContact O-N 3.34Å; E45-V443 WeakPolarHBondContact OE1-CG2 3.47Å; E45-L448 HydrophobicContact CB-CD2 4.38Å; E45-K451 IonicContact OE2-NZ 2.75Å; E45-K451 PolarHBondContact OE2-NZ 2.99Å
46E49.1Very low58Low45 Ų4566.7 Ų66.721%0.2134%0.343CS..THydrogen-bonded Turntrans-65.4-32.3-179.8-66.6-152.9136.400112L42 E43 Y48 A49L42-E46 HydrophobicContact CD2-CB 4.24Å; L42-E46 WeakPolarHBondContact CG-OE2 3.48Å; E43-E46 PolarHBondContact O-N 2.94Å; E46-Y48 PolarHBondContact O-N 3.18Å; E46-Y48 VanDerWaalsContact O-N 3.14Å; E46-A49 PolarHBondContact O-N 3.26Å
47V53.3Low60.7Low84 Ų8460.5 Ų60.551%0.50931%0.31SS..THydrogen-bonded Turntrans-58.8-24.6174.9-174.40000112.2E45E45-V47 VanDerWaalsContact C-N 3.26Å; E45-V47 PolarHBondContact O-N 3.23Å
48Y67.5Low63.4Low33 Ų3360.1 Ų60.113%0.12931%0.308CS..THydrogen-bonded Turntrans-114.4-5.2-178.4-56.2-48.8000114.4S44 E45 E46 G50 L51 L430 Q434 H437S44-Y48 WeakPolarHBondContact O-CD2 3.45Å; E45-Y48 CarbonylContact O-C 3.59Å; E45-Y48 PolarHBondContact O-N 3.43Å; E46-Y48 PolarHBondContact O-N 3.18Å; E46-Y48 VanDerWaalsContact O-N 3.14Å; Y48-G50 PolarHBondContact O-N 2.64Å; Y48-L51 HydrophobicContact CD1-CD1 4.37Å; Y48-L51 WeakPolarHBondContact O-CB 3.3Å; Y48-L51 WeakPolarHBondContact O-CG 3.48Å; Y48-L51 PolarHBondContact O-N 2.98Å; Y48-L430 HydrophobicContact CE1-CD1 3.87Å; Y48-Q434 HydrophobicContact CD1-CG 3.64Å; Y48-Q434 HydrophobicContact CE1-CG 3.48Å; Y48-Q434 VanDerWaalsContact CE1-CG 3.48Å; Y48-H437 WeakPolarHBondContact CB-NE2 3.32Å; Y48-H437 HydrophobicContact CD2-CB 4.19Å; Y48-H437 AromaticContact CD2-CE1 3.97Å; Y48-H437 AromaticContact CD2-CG 3.76Å; Y48-H437 AromaticContact CD2-ND1 3.56Å; Y48-H437 HydrophobicContact CG-CB 4.44Å
49A63.9Low66.2Low7 Ų758.2 Ų58.26%0.05830%0.298CS..THydrogen-bonded Turntrans-61.8-10.2-16900000116L18 I21 E45 E46 L448L18-A49 VanDerWaalsContact CD2-O 3.25Å; L18-A49 WeakPolarHBondContact CD2-O 3.37Å; I21-A49 HydrophobicContact CG2-CB 3.66Å; E45-A49 PolarHBondContact O-N 3.34Å; E46-A49 PolarHBondContact O-N 3.26Å; A49-L448 HydrophobicContact CB-CD1 4.01Å
50G74.7Confident68.7Low14 Ų1454.3 Ų54.314%0.14427%0.27CS..THydrogen-bonded Turntrans-82.4-6168.900000115.2Y48 Q400Y48-G50 PolarHBondContact O-N 2.64Å; G50-Q400 WeakPolarHBondContact O-CG 3.38Å; G50-Q400 PolarHBondContact O-NE2 2.82Å
51L86.5Confident71.5Confident8 Ų846.9 Ų46.94%0.04224%0.236CC..SBendtrans-91.9135.9-175.8-63.8177.6000112.1Y48 T53 L396 T408 Q434 I438Y48-L51 HydrophobicContact CD1-CD1 4.37Å; Y48-L51 WeakPolarHBondContact O-CB 3.3Å; Y48-L51 WeakPolarHBondContact O-CG 3.48Å; Y48-L51 PolarHBondContact O-N 2.98Å; L51-T53 PolarHBondContact O-N 3.11Å; L51-T53 VanDerWaalsContact O-N 3.14Å; L51-L396 HydrophobicContact CD2-CD1 4Å; L51-T408 HydrophobicContact CD2-CG2 3.93Å; L51-Q434 HydrophobicContact CD1-CB 3.81Å; L51-Q434 HydrophobicContact CD1-CG 3.85Å; L51-I438 HydrophobicContact CB-CG1 4.36Å; L51-I438 HydrophobicContact CD1-CG1 4.47Å
52P87.4Confident74.3Confident2 Ų244 Ų441%0.01323%0.227CC..  trans-73.1106.417329.4-33.4000110.5H403 C405 T408P52-H403 HydrophobicContact CB-CB 4.42Å; P52-C405 PolarHBondContact O-SG 2.82Å; P52-T408 HydrophobicContact CG-CG2 4.07Å; P52-T408 WeakPolarHBondContact CG-OG1 3.49Å
53T89.8Confident76.9Confident4 Ų443 Ų433%0.02522%0.22CC..  trans-80.5158.3176.373.40000111L51 F55 N56 S57 C441L51-T53 PolarHBondContact O-N 3.11Å; L51-T53 VanDerWaalsContact O-N 3.14Å; T53-F55 VanDerWaalsContact C-N 3.28Å; T53-F55 PolarHBondContact O-N 2.83Å; T53-N56 PolarHBondContact O-N 3.12Å; T53-N56 PolarHBondContact OG1-N 3.25Å; T53-N56 PolarHBondContact OG1-ND2 3.36Å; T53-S57 VanDerWaalsContact O-CB 3.3Å; T53-S57 WeakPolarHBondContact O-CB 3.4Å; T53-S57 PolarHBondContact O-N 3.25Å; T53-S57 PolarHBondContact O-OG 3.31Å; T53-C441 HydrophobicContact CG2-CB 3.69Å
54V90.9Very high79.3Confident8 Ų838 Ų385%0.04820%0.197CC..Hα-helixtrans-57.1-44.4175.1172.50000110.6N56 S57 K58 I438 S589 F590 V593V54-N56 PolarHBondContact O-N 3.15Å; V54-S57 PolarHBondContact O-N 3.49Å; V54-K58 VanDerWaalsContact O-CB 3.29Å; V54-K58 WeakPolarHBondContact O-CB 3.49Å; V54-K58 PolarHBondContact O-N 2.9Å; V54-K58 VanDerWaalsContact O-N 3.07Å; V54-I438 HydrophobicContact CG2-CG2 4.48Å; V54-I438 WeakPolarHBondContact CG2-O 3.16Å; V54-I438 PolarHBondContact N-O 2.8Å; V54-S589 WeakPolarHBondContact CG1-O 3.47Å; V54-F590 HydrophobicContact CG2-CD1 4.12Å; V54-V593 HydrophobicContact CB-CG2 4.23Å; V54-V593 HydrophobicContact CG1-CG1 4.03Å; V54-V593 HydrophobicContact CG1-CG2 4.14Å; V54-V593 HydrophobicContact CG2-CG2 3.8Å
55F89.8Confident81.5Confident110 Ų11037.7 Ų37.748%0.48219%0.186SC..Hα-helixtrans-55.7-51.4-179.9-178.6-94.6000112.3T53 C441 Q442T53-F55 VanDerWaalsContact C-N 3.28Å; T53-F55 PolarHBondContact O-N 2.83Å; F55-C441 VanDerWaalsContact CB-O 3.27Å; F55-C441 WeakPolarHBondContact CB-O 3.43Å; F55-Q442 WeakPolarHBondContact CE1-O 3.31Å
56N89.4Confident83.4Confident13 Ų1337.5 Ų37.57%0.0719%0.186CC..Hα-helixtrans-74.3-38.8-177.6-68.7-67.4000112.2T53 V54 K58 C59 V443 S444 L445T53-N56 PolarHBondContact O-N 3.12Å; T53-N56 PolarHBondContact OG1-N 3.25Å; T53-N56 PolarHBondContact OG1-ND2 3.36Å; V54-N56 PolarHBondContact O-N 3.15Å; N56-K58 VanDerWaalsContact C-N 3.25Å; N56-K58 PolarHBondContact O-N 2.76Å; N56-C59 PolarHBondContact O-N 3.47Å; N56-C59 PolarHBondContact O-SG 2.65Å; N56-V443 PolarHBondContact ND2-O 3.5Å; N56-S444 WeakPolarHBondContact OD1-CA 3.41Å; N56-L445 HydrophobicContact CB-CD1 4.32Å; N56-L445 HydrophobicContact CB-CG 4.15Å; N56-L445 PolarHBondContact OD1-N 3.23Å
57S91.8Very high85.3Confident1 Ų135.5 Ų35.51%0.00718%0.177CC..Hα-helixtrans-69.2-23.7-178.4-49.70000113T53 V54 C59 V60 T61 C405T53-S57 VanDerWaalsContact O-CB 3.3Å; T53-S57 WeakPolarHBondContact O-CB 3.4Å; T53-S57 PolarHBondContact O-N 3.25Å; T53-S57 PolarHBondContact O-OG 3.31Å; V54-S57 PolarHBondContact O-N 3.49Å; S57-C59 PolarHBondContact O-N 2.94Å; S57-V60 WeakPolarHBondContact O-CB 3.36Å; S57-V60 PolarHBondContact O-N 3.45Å; S57-T61 PolarHBondContact O-N 3.11Å; S57-C405 PolarHBondContact OG-SG 2.94Å
58K92.2Very high86.9Confident113 Ų11332.3 Ų32.349%0.49116%0.158SC..Hα-helixtrans-63.4-23.3179.3-170.3168-172.6166.80114.4V54 N56 V60 K62 V593V54-K58 VanDerWaalsContact O-CB 3.29Å; V54-K58 WeakPolarHBondContact O-CB 3.49Å; V54-K58 PolarHBondContact O-N 2.9Å; V54-K58 VanDerWaalsContact O-N 3.07Å; N56-K58 VanDerWaalsContact C-N 3.25Å; N56-K58 PolarHBondContact O-N 2.76Å; K58-V60 VanDerWaalsContact C-N 3.33Å; K58-K62 VanDerWaalsContact O-CB 3.23Å; K58-K62 WeakPolarHBondContact O-CB 3.21Å; K58-K62 PolarHBondContact O-N 3.22Å; K58-V593 HydrophobicContact CB-CG1 3.93Å
59C90.2Very high87.8Confident37 Ų3736 Ų3625%0.2517%0.174CC..Hα-helixtrans-68.5-34.8172.871.90000111.9E10 C14 N56 S57 Q63E10-C59 PolarHBondContact OE2-SG 3.44Å; C14-C59 PolarHBondContact SG-SG 2.77Å; N56-C59 PolarHBondContact O-N 3.47Å; N56-C59 PolarHBondContact O-SG 2.65Å; S57-C59 PolarHBondContact O-N 2.94Å; C59-Q63 WeakPolarHBondContact O-CG 3.02Å
60V89.4Confident88.8Confident0 Ų040.3 Ų40.30%019%0.193CC..Hα-helixtrans-74.3-47.3178.9-178.80000110.9F7 E10 S57 K58 K62 Q63F7-V60 HydrophobicContact CD2-CG1 3.7Å; F7-V60 HydrophobicContact CE2-CG1 3.42Å; F7-V60 VanDerWaalsContact CE2-CG1 3.42Å; F7-V60 HydrophobicContact CZ-CG1 4.46Å; E10-V60 HydrophobicContact CB-CG2 4.27Å; S57-V60 WeakPolarHBondContact O-CB 3.36Å; S57-V60 PolarHBondContact O-N 3.45Å; K58-V60 VanDerWaalsContact C-N 3.33Å; V60-K62 PolarHBondContact O-N 3.47Å; V60-Q63 PolarHBondContact O-N 3.35Å
61T90.3Very high89.2Confident3 Ų340.1 Ų40.12%0.01819%0.189CC..Hα-helixtrans-66.2-38.1-178.4610000112.5S57 Q63 L64 E65 L101 V593S57-T61 PolarHBondContact O-N 3.11Å; T61-Q63 PolarHBondContact O-N 2.98Å; T61-L64 WeakPolarHBondContact O-CB 3.27Å; T61-L64 PolarHBondContact O-N 2.91Å; T61-E65 PolarHBondContact O-N 2.92Å; T61-L101 HydrophobicContact CG2-CD1 3.99Å; T61-L101 HydrophobicContact CG2-CD2 4.32Å; T61-V593 HydrophobicContact CG2-CB 4.23Å; T61-V593 HydrophobicContact CG2-CG1 4.45Å
62K92.1Very high89Confident123 Ų12345 Ų4554%0.53521%0.211SC..Hα-helixtrans-58.5-31.1174.8-173.1177.7-179.7-175.10113.2K58 V60 E65 N66K58-K62 VanDerWaalsContact O-CB 3.23Å; K58-K62 WeakPolarHBondContact O-CB 3.21Å; K58-K62 PolarHBondContact O-N 3.22Å; V60-K62 PolarHBondContact O-N 3.47Å; K62-E65 PolarHBondContact O-N 3.31Å; K62-N66 WeakPolarHBondContact O-CB 3.42Å; K62-N66 PolarHBondContact O-N 3.22Å; K62-N66 PolarHBondContact O-ND2 2.83Å; K62-N66 PolarHBondContact O-OD1 3.02Å
63Q90.6Very high88.4Confident53 Ų5351.5 Ų51.525%0.24825%0.246CC..Hα-helixtrans-69.8-34.5175.5-62.1-63.6000112.3F7 E10 C59 V60 T61 N66 C67F7-Q63 HydrophobicContact CB-CB 4.03Å; E10-Q63 HydrophobicContact CB-CG 4.42Å; E10-Q63 HydrophobicContact CG-CG 3.86Å; C59-Q63 WeakPolarHBondContact O-CG 3.02Å; V60-Q63 PolarHBondContact O-N 3.35Å; T61-Q63 PolarHBondContact O-N 2.98Å; Q63-N66 PolarHBondContact O-N 3.1Å; Q63-N66 PolarHBondContact OE1-ND2 3.42Å; Q63-C67 PolarHBondContact O-N 3.13Å; Q63-C67 VanDerWaalsContact O-N 3.07Å; Q63-C67 PolarHBondContact O-SG 3.35Å
64L91Very high87.2Confident0 Ų053.6 Ų53.60%026%0.264CS..Hα-helixtrans-70-39.7174.1-59.7173.8000111.1F7 T61 C67 L68 L92 L95 H99 L101 L104F7-L64 HydrophobicContact CB-CD2 4.24Å; F7-L64 HydrophobicContact CD1-CD2 4.46Å; F7-L64 HydrophobicContact CD2-CD1 4.11Å; F7-L64 HydrophobicContact CD2-CD2 3.5Å; F7-L64 HydrophobicContact CD2-CG 3.65Å; F7-L64 HydrophobicContact CE2-CD1 3.91Å; F7-L64 HydrophobicContact CE2-CD2 3.91Å; F7-L64 HydrophobicContact CE2-CG 3.99Å; F7-L64 HydrophobicContact CG-CD2 3.81Å; F7-L64 HydrophobicContact CG-CG 4.41Å; T61-L64 WeakPolarHBondContact O-CB 3.27Å; T61-L64 PolarHBondContact O-N 2.91Å; L64-C67 PolarHBondContact O-N 3.28Å; L64-L68 PolarHBondContact O-N 3.5Å; L64-L92 HydrophobicContact CD2-CD1 3.89Å; L64-L95 HydrophobicContact CD2-CB 4.01Å; L64-L95 HydrophobicContact CD2-CD1 4.29Å; L64-H99 HydrophobicContact CD1-CB 4.17Å; L64-L101 HydrophobicContact CD1-CD1 3.93Å; L64-L104 HydrophobicContact CB-CD2 3.66Å
65E90.6Very high85.5Confident80 Ų8058.8 Ų58.837%0.37430%0.297SS..Hα-helixtrans-61.4-41.2172.3-66.8177.9179.500112.6T61 K62 C67 L68 K69 L104T61-E65 PolarHBondContact O-N 2.92Å; K62-E65 PolarHBondContact O-N 3.31Å; E65-C67 VanDerWaalsContact C-N 3.34Å; E65-L68 PolarHBondContact O-N 2.9Å; E65-K69 PolarHBondContact O-N 2.98Å; E65-L104 HydrophobicContact CG-CD2 4.47Å
66N91.3Very high83.8Confident49 Ų4961.8 Ų61.826%0.26231%0.31SS..Hα-helixtrans-63-40.6175.1-68.8-18.5000111.2K62 Q63 L68 K69 E70K62-N66 WeakPolarHBondContact O-CB 3.42Å; K62-N66 PolarHBondContact O-N 3.22Å; K62-N66 PolarHBondContact O-ND2 2.83Å; K62-N66 PolarHBondContact O-OD1 3.02Å; Q63-N66 PolarHBondContact O-N 3.1Å; Q63-N66 PolarHBondContact OE1-ND2 3.42Å; N66-L68 VanDerWaalsContact C-N 3.29Å; N66-L68 PolarHBondContact O-N 3.45Å; N66-K69 PolarHBondContact O-N 2.77Å; N66-K69 VanDerWaalsContact O-N 3.13Å; N66-E70 PolarHBondContact O-N 3.46Å
67C88.4Confident81.6Confident3 Ų368.8 Ų68.82%0.0234%0.342CS..Hα-helixtrans-63.5-31.1177.2-690000113F2 Q63 L64 E65 L71 L92F2-C67 HydrophobicContact CD2-CB 4.09Å; Q63-C67 PolarHBondContact O-N 3.13Å; Q63-C67 VanDerWaalsContact O-N 3.07Å; Q63-C67 PolarHBondContact O-SG 3.35Å; L64-C67 PolarHBondContact O-N 3.28Å; E65-C67 VanDerWaalsContact C-N 3.34Å; C67-L71 VanDerWaalsContact O-CB 3.29Å; C67-L71 WeakPolarHBondContact O-CB 3.37Å; C67-L71 PolarHBondContact O-N 3.38Å; C67-L92 HydrophobicContact CB-CD1 3.69Å; C67-L92 HydrophobicContact CB-CD2 3.88Å; C67-L92 HydrophobicContact CB-CG 4.47Å
68L87.3Confident79.4Confident18 Ų1874.6 Ų74.69%0.09438%0.383CS..Hα-helixtrans-68.3-43.1171.3176.364.1000111.3L64 E65 N66 L71 E72 L104 I108L64-L68 PolarHBondContact O-N 3.5Å; E65-L68 PolarHBondContact O-N 2.9Å; N66-L68 VanDerWaalsContact C-N 3.29Å; N66-L68 PolarHBondContact O-N 3.45Å; L68-L71 CarbonylContact O-C 3.57Å; L68-L71 WeakPolarHBondContact O-CA 3.41Å; L68-L71 WeakPolarHBondContact O-CB 3.34Å; L68-L71 PolarHBondContact O-N 3.1Å; L68-E72 HydrophobicContact CD1-CG 3.91Å; L68-E72 HydrophobicContact CG-CG 4.18Å; L68-E72 WeakPolarHBondContact O-CG 3.42Å; L68-E72 PolarHBondContact O-N 2.83Å; L68-L104 HydrophobicContact CB-CD1 3.63Å; L68-L104 HydrophobicContact CD2-CD1 3.63Å; L68-L104 HydrophobicContact CG-CD1 4.21Å; L68-I108 HydrophobicContact CD1-CG1 4.2Å
69K87Confident77.5Confident109 Ų10973.1 Ų73.147%0.47440%0.4SS..Hα-helixtrans-62.4-46.9178.5-66.4166.4-172.7162.80111.5E65 N66 L71 E72 D73E65-K69 PolarHBondContact O-N 2.98Å; N66-K69 PolarHBondContact O-N 2.77Å; N66-K69 VanDerWaalsContact O-N 3.13Å; K69-L71 PolarHBondContact O-N 3.09Å; K69-L71 VanDerWaalsContact O-N 3.07Å; K69-E72 PolarHBondContact O-N 3.4Å; K69-E72 VanDerWaalsContact O-N 3.15Å; K69-D73 WeakPolarHBondContact O-CB 3.31Å; K69-D73 PolarHBondContact O-N 3.19Å
70E84.8Confident75.9Confident99 Ų9977.5 Ų77.546%0.46342%0.417SS..Hα-helixtrans-60.8-16.5172.8-69-177.6-175.200114F2 S3 N66F2-E70 WeakPolarHBondContact CA-OE2 3.47Å; F2-E70 HydrophobicContact CB-CB 3.54Å; F2-E70 HydrophobicContact CB-CG 4.47Å; F2-E70 WeakPolarHBondContact CB-OE2 3.18Å; S3-E70 PolarHBondContact N-OE2 2.79Å; S3-E70 VanDerWaalsContact N-OE2 3.11Å; N66-E70 PolarHBondContact O-N 3.46Å
71L83.5Confident75.2Confident9 Ų980.2 Ų80.25%0.04744%0.436CS..Hα-helixtrans-95-34.3176.1172.963.7000112.3F2 C67 L68 K69 A74 V89 L92 V111 I115F2-L71 HydrophobicContact CD1-CB 4.1Å; F2-L71 HydrophobicContact CD1-CD1 4.27Å; F2-L71 HydrophobicContact CE1-CB 4.36Å; F2-L71 HydrophobicContact CE1-CD1 3.95Å; C67-L71 VanDerWaalsContact O-CB 3.29Å; C67-L71 WeakPolarHBondContact O-CB 3.37Å; C67-L71 PolarHBondContact O-N 3.38Å; L68-L71 CarbonylContact O-C 3.57Å; L68-L71 WeakPolarHBondContact O-CA 3.41Å; L68-L71 WeakPolarHBondContact O-CB 3.34Å; L68-L71 PolarHBondContact O-N 3.1Å; K69-L71 PolarHBondContact O-N 3.09Å; K69-L71 VanDerWaalsContact O-N 3.07Å; L71-A74 WeakPolarHBondContact O-CB 3.24Å; L71-V89 HydrophobicContact CD1-CG2 3.9Å; L71-V89 HydrophobicContact CD2-CG1 4.04Å; L71-V89 HydrophobicContact CD2-CG2 3.96Å; L71-L92 HydrophobicContact CD2-CD2 4.33Å; L71-V111 HydrophobicContact CD1-CG1 4.1Å; L71-V111 HydrophobicContact CD2-CB 4.4Å; L71-V111 HydrophobicContact CD2-CG1 3.97Å; L71-V111 HydrophobicContact CG-CG1 3.86Å; L71-I115 HydrophobicContact CD1-CD1 4.25Å
72E81.6Confident74.8Confident111 Ų11182.8 Ų82.852%0.51945%0.452SS..Hα-helixtrans-74.2-37.3174.4-71.5178.7160.700111.8L68 K69 A74 V111L68-E72 HydrophobicContact CD1-CG 3.91Å; L68-E72 HydrophobicContact CG-CG 4.18Å; L68-E72 WeakPolarHBondContact O-CG 3.42Å; L68-E72 PolarHBondContact O-N 2.83Å; K69-E72 PolarHBondContact O-N 3.4Å; K69-E72 VanDerWaalsContact O-N 3.15Å; E72-A74 PolarHBondContact O-N 3.48Å; E72-V111 HydrophobicContact CG-CG2 4.39Å
73D73.7Confident74.4Confident139 Ų13982.8 Ų82.874%0.74345%0.448SS*.SBendtrans-73.3-7.1173.5-70.3-35.4000113.3K69K69-D73 WeakPolarHBondContact O-CB 3.31Å; K69-D73 PolarHBondContact O-N 3.19Å
74A64.9Low74.1Confident47 Ų4785.6 Ų85.639%0.38846%0.461SS..SBendtrans-72126.5-173.700000112.1L71 E72 K76L71-A74 WeakPolarHBondContact O-CB 3.24Å; E72-A74 PolarHBondContact O-N 3.48Å; A74-K76 PolarHBondContact O-N 3.41Å
75P54.6Low73.9Confident117 Ų11787.8 Ų87.876%0.7647%0.473SS*.  trans-64.9134.6179.526.3-34.2000111.3H77P75-H77 PolarHBondContact O-N 3.37Å
76K54.7Low73.9Confident173 Ų17384.1 Ų84.175%0.75246%0.456SS*.SBendtrans-68.315.6-172.5-66-172.5174.5-175.30116.1A74A74-K76 PolarHBondContact O-N 3.41Å
77H44.1Very low73.9Confident160 Ų16082.6 Ų82.674%0.74145%0.448SS*.  trans-142.5154.7-168.5-73.4-61.1000117P75P75-H77 PolarHBondContact O-N 3.37Å
78S45.1Very low73.9Confident123 Ų12385.4 Ų85.486%0.8646%0.458SS*.SBendtrans58.1109.7153.457.20000119.4
79G51.7Low74.2Confident83 Ų8384.6 Ų84.686%0.85645%0.454SS*.SBendtrans132.6-18.6147.400000117.2
80Q57.9Low74.5Confident129 Ų12979.6 Ų79.660%0.60343%0.432SS*.SBendtrans-123.7156.5-173-62.1-170.5-20.600112.5V82Q80-V82 PolarHBondContact O-N 2.94Å
81S72.9Confident75Confident57 Ų5774.9 Ų74.940%0.39941%0.41SS..  trans-70.6120.6179.382.50000110.5R83 Q84 L85S81-R83 PolarHBondContact O-N 3.46Å; S81-R83 VanDerWaalsContact O-N 3.1Å; S81-Q84 PolarHBondContact O-N 3.02Å; S81-Q84 VanDerWaalsContact OG-CG 3.25Å; S81-Q84 WeakPolarHBondContact OG-CG 3.46Å; S81-Q84 PolarHBondContact OG-OE1 3.46Å; S81-L85 PolarHBondContact O-N 2.95Å
82V82Confident75.5Confident57 Ų5774.4 Ų74.435%0.34541%0.408SS..Hα-helixtrans-54.4-34.8-177.5-178.10000111.4Q80 Q84 L85 L86 I115Q80-V82 PolarHBondContact O-N 2.94Å; V82-Q84 PolarHBondContact O-N 2.81Å; V82-L85 WeakPolarHBondContact O-CB 3.47Å; V82-L85 PolarHBondContact O-N 2.84Å; V82-L86 HydrophobicContact CG1-CD1 3.89Å; V82-L86 HydrophobicContact CG1-CG 4.23Å; V82-L86 WeakPolarHBondContact O-CG 3.38Å; V82-L86 PolarHBondContact O-N 2.96Å; V82-I115 HydrophobicContact CG1-CG2 4.41Å
83R84.8Confident76.1Confident123 Ų12369.1 Ų69.146%0.46438%0.383SS..Hα-helixtrans-60-42.8177.3-168.4175.9-171159.28.7113S81 L85 L86 T87 T182S81-R83 PolarHBondContact O-N 3.46Å; S81-R83 VanDerWaalsContact O-N 3.1Å; R83-L85 VanDerWaalsContact C-N 3.32Å; R83-L85 PolarHBondContact O-N 2.91Å; R83-L86 PolarHBondContact O-N 3.49Å; R83-T87 PolarHBondContact O-N 3.3Å; R83-T87 PolarHBondContact O-OG1 3.07Å; R83-T87 VanDerWaalsContact O-OG1 3.11Å; R83-T182 PolarHBondContact NH2-OG1 3.42Å
84Q84.2Confident77.2Confident111 Ų11162.5 Ų62.552%0.51935%0.348SS..Hα-helixtrans-67.6-33.6178.5-74.6167.4-37.900112.1M1 S81 V82 R88M1-Q84 HydrophobicContact CE-CB 4.02Å; S81-Q84 PolarHBondContact O-N 3.02Å; S81-Q84 VanDerWaalsContact OG-CG 3.25Å; S81-Q84 WeakPolarHBondContact OG-CG 3.46Å; S81-Q84 PolarHBondContact OG-OE1 3.46Å; V82-Q84 PolarHBondContact O-N 2.81Å; Q84-R88 WeakPolarHBondContact O-CG 3.42Å; Q84-R88 PolarHBondContact O-N 3.43Å
85L87Confident78.7Confident46 Ų4660.3 Ų60.324%0.24133%0.329CS..Hα-helixtrans-65.5-49.9172.7-177.460.2000110.5M1 F2 S81 V82 R83 T87 R88 V89 I115M1-L85 HydrophobicContact CE-CB 4.05Å; M1-L85 HydrophobicContact CE-CD1 4.43Å; F2-L85 HydrophobicContact CE1-CD1 4.24Å; S81-L85 PolarHBondContact O-N 2.95Å; V82-L85 WeakPolarHBondContact O-CB 3.47Å; V82-L85 PolarHBondContact O-N 2.84Å; R83-L85 VanDerWaalsContact C-N 3.32Å; R83-L85 PolarHBondContact O-N 2.91Å; L85-T87 PolarHBondContact O-N 2.79Å; L85-R88 PolarHBondContact O-N 3.36Å; L85-V89 HydrophobicContact CD1-CG2 4.27Å; L85-V89 HydrophobicContact CG-CG2 4.41Å; L85-V89 WeakPolarHBondContact O-CG2 3.4Å; L85-V89 PolarHBondContact O-N 2.99Å; L85-I115 HydrophobicContact CD2-CD1 4.25Å; L85-I115 HydrophobicContact CD2-CG2 4.36Å
86L90.3Very high80.6Confident4 Ų454.7 Ų54.72%0.02129%0.293CS..Hα-helixtrans-59.8-42.3179.4-69.8172.6000112.6V82 R83 R88 V89 E90 M112 I115 S116 R121 D124V82-L86 HydrophobicContact CG1-CD1 3.89Å; V82-L86 HydrophobicContact CG1-CG 4.23Å; V82-L86 WeakPolarHBondContact O-CG 3.38Å; V82-L86 PolarHBondContact O-N 2.96Å; R83-L86 PolarHBondContact O-N 3.49Å; L86-R88 VanDerWaalsContact C-N 3.27Å; L86-R88 PolarHBondContact O-N 2.85Å; L86-V89 PolarHBondContact O-N 3.1Å; L86-E90 WeakPolarHBondContact O-CB 3.5Å; L86-E90 PolarHBondContact O-N 3.12Å; L86-M112 HydrophobicContact CB-CE 4.31Å; L86-M112 HydrophobicContact CD2-CE 4.19Å; L86-M112 HydrophobicContact CD2-CG 3.78Å; L86-I115 HydrophobicContact CD2-CB 4.35Å; L86-I115 HydrophobicContact CD2-CG2 3.92Å; L86-S116 VanDerWaalsContact CD2-OG 3.31Å; L86-S116 WeakPolarHBondContact CD2-OG 3.49Å; L86-R121 VanDerWaalsContact CD1-CD 3.43Å; L86-D124 HydrophobicContact CD1-CB 4.01Å
87T90.5Very high82.5Confident16 Ų1646.7 Ų46.710%0.09826%0.259CS..Hα-helixtrans-57.8-37.1173.3-61.90000112.8R83 L85 L91 D355 N356 L359R83-T87 PolarHBondContact O-N 3.3Å; R83-T87 PolarHBondContact O-OG1 3.07Å; R83-T87 VanDerWaalsContact O-OG1 3.11Å; L85-T87 PolarHBondContact O-N 2.79Å; T87-L91 WeakPolarHBondContact O-CB 3.48Å; T87-L91 PolarHBondContact O-N 3.48Å; T87-D355 HydrophobicContact CG2-CB 4Å; T87-N356 WeakPolarHBondContact CG2-OD1 3.5Å; T87-L359 HydrophobicContact CG2-CD2 3.99Å
88R89.7Confident84.9Confident63 Ų6339 Ų3924%0.23822%0.223CC..Hα-helixtrans-75.4-37177.7-73.1178.8176.5-135.9-11.1113M1 F2 Q84 L85 L86 L91 L92 D355M1-R88 VanDerWaalsContact SD-CD 3.59Å; F2-R88 HydrophobicContact CE2-CB 4.39Å; F2-R88 HydrophobicContact CZ-CB 3.81Å; Q84-R88 WeakPolarHBondContact O-CG 3.42Å; Q84-R88 PolarHBondContact O-N 3.43Å; L85-R88 PolarHBondContact O-N 3.36Å; L86-R88 VanDerWaalsContact C-N 3.27Å; L86-R88 PolarHBondContact O-N 2.85Å; R88-L91 PolarHBondContact O-N 3.49Å; R88-L92 WeakPolarHBondContact O-CB 3.49Å; R88-L92 PolarHBondContact O-N 3.18Å; R88-D355 HydrophobicContact CG-CB 4.1Å; R88-D355 IonicContact CZ-OD1 2.93Å; R88-D355 IonicContact CZ-OD2 2.66Å; R88-D355 VanDerWaalsContact CZ-OD2 3.27Å; R88-D355 IonicContact NE-OD1 3.37Å; R88-D355 PolarHBondContact NE-OD1 3.03Å; R88-D355 IonicContact NE-OD2 2.73Å; R88-D355 PolarHBondContact NE-OD2 3.47Å; R88-D355 IonicContact NH2-OD1 3.37Å; R88-D355 PolarHBondContact NH2-OD1 2.97Å; R88-D355 VanDerWaalsContact NH2-OD1 3.12Å; R88-D355 IonicContact NH2-OD2 3.28Å; R88-D355 PolarHBondContact NH2-OD2 3.13Å
89V92.2Very high87.2Confident0 Ų033.4 Ų33.40%018%0.183CC..Hα-helixtrans-70-39.4175.8-178.20000110.2F2 L71 L85 L86 L92 G93 I108 M112F2-V89 HydrophobicContact CE1-CG2 4.11Å; F2-V89 HydrophobicContact CZ-CG2 4.18Å; L71-V89 HydrophobicContact CD1-CG2 3.9Å; L71-V89 HydrophobicContact CD2-CG1 4.04Å; L71-V89 HydrophobicContact CD2-CG2 3.96Å; L85-V89 HydrophobicContact CD1-CG2 4.27Å; L85-V89 HydrophobicContact CG-CG2 4.41Å; L85-V89 WeakPolarHBondContact O-CG2 3.4Å; L85-V89 PolarHBondContact O-N 2.99Å; L86-V89 PolarHBondContact O-N 3.1Å; V89-L92 PolarHBondContact O-N 3.04Å; V89-G93 PolarHBondContact O-N 3.34Å; V89-I108 HydrophobicContact CG1-CG2 3.74Å; V89-I108 WeakPolarHBondContact O-CG2 3.23Å; V89-M112 HydrophobicContact CB-CG 4.49Å; V89-M112 HydrophobicContact CG1-CB 3.66Å; V89-M112 HydrophobicContact CG1-CG 4.07Å; V89-M112 HydrophobicContact CG1-SD 4.41Å
90E94.8Very high89.2Confident4 Ų430.3 Ų30.32%0.01915%0.147CC..Hα-helixtrans-58.1-52170.1-172.3-179.5177.800110.6L86 L92 G93 I94 W109 M112 Y127 H184 L359L86-E90 WeakPolarHBondContact O-CB 3.5Å; L86-E90 PolarHBondContact O-N 3.12Å; E90-L92 VanDerWaalsContact C-N 3.33Å; E90-L92 PolarHBondContact O-N 2.71Å; E90-G93 WeakPolarHBondContact O-CA 3.47Å; E90-G93 PolarHBondContact O-N 2.81Å; E90-I94 HydrophobicContact CG-CG1 4.43Å; E90-I94 WeakPolarHBondContact O-CG1 3.29Å; E90-I94 PolarHBondContact O-N 3.19Å; E90-W109 HydrophobicContact CG-CH2 4.07Å; E90-W109 HydrophobicContact CG-CZ3 4.28Å; E90-M112 HydrophobicContact CB-CE 4.14Å; E90-M112 HydrophobicContact CB-SD 4.18Å; E90-Y127 HydrophobicContact CG-CE1 3.99Å; E90-Y127 WeakPolarHBondContact OE1-CE1 3.4Å; E90-Y127 PolarHBondContact OE1-OH 3.04Å; E90-H184 IonicContact OE1-CE1 2.83Å; E90-H184 PolarHBondContact OE1-CE1 2.95Å; E90-H184 IonicContact OE1-NE2 3.27Å; E90-H184 PolarHBondContact OE1-NE2 3.45Å; E90-H184 IonicContact OE2-CE1 2.82Å; E90-H184 IonicContact OE2-NE2 2.74Å; E90-H184 PolarHBondContact OE2-NE2 2.82Å; E90-L359 HydrophobicContact CB-CD1 4.35Å; E90-L359 HydrophobicContact CG-CD1 3.78Å; E90-L359 HydrophobicContact CG-CD2 4.31Å; E90-L359 WeakPolarHBondContact OE2-CD2 3.43Å
91L94.5Very high90.9Very high0 Ų025 Ų250%012%0.123CC..Hα-helixtrans-57.1-42.9176.5172.258.1000112.2L4 T87 R88 G93 I94 L95 L358 L359 W362L4-L91 HydrophobicContact CD1-CD2 3.55Å; L4-L91 HydrophobicContact CD1-CG 3.87Å; T87-L91 WeakPolarHBondContact O-CB 3.48Å; T87-L91 PolarHBondContact O-N 3.48Å; R88-L91 PolarHBondContact O-N 3.49Å; L91-G93 VanDerWaalsContact C-N 3.32Å; L91-G93 PolarHBondContact O-N 2.7Å; L91-I94 PolarHBondContact O-N 3.42Å; L91-L95 HydrophobicContact CD1-CD1 4.16Å; L91-L95 HydrophobicContact CD1-CG 4.07Å; L91-L95 HydrophobicContact CG-CD1 4.25Å; L91-L95 WeakPolarHBondContact O-CB 2.87Å; L91-L95 VanDerWaalsContact O-CG 3.26Å; L91-L95 WeakPolarHBondContact O-CG 3.29Å; L91-L95 PolarHBondContact O-N 2.95Å; L91-L358 HydrophobicContact CD1-CB 4.32Å; L91-L358 HydrophobicContact CD2-CB 3.66Å; L91-L358 HydrophobicContact CD2-CD1 4.33Å; L91-L359 HydrophobicContact CB-CB 4.45Å; L91-L359 HydrophobicContact CB-CD1 4.36Å; L91-W362 HydrophobicContact CD1-CB 4.13Å; L91-W362 HydrophobicContact CD1-CG 4.27Å
92L94.5Very high91.8Very high0 Ų023.5 Ų23.50%011%0.109CC..Hα-helixtrans-62-39.6175.6-177.962.2000111.7F2 L4 L64 C67 L71 R88 V89 E90 L95 A96 I108F2-L92 HydrophobicContact CE2-CB 4.38Å; F2-L92 HydrophobicContact CE2-CD2 3.98Å; F2-L92 HydrophobicContact CZ-CD2 4.25Å; L4-L92 HydrophobicContact CD2-CB 4.36Å; L4-L92 HydrophobicContact CD2-CD1 3.8Å; L64-L92 HydrophobicContact CD2-CD1 3.89Å; C67-L92 HydrophobicContact CB-CD1 3.69Å; C67-L92 HydrophobicContact CB-CD2 3.88Å; C67-L92 HydrophobicContact CB-CG 4.47Å; L71-L92 HydrophobicContact CD2-CD2 4.33Å; R88-L92 WeakPolarHBondContact O-CB 3.49Å; R88-L92 PolarHBondContact O-N 3.18Å; V89-L92 PolarHBondContact O-N 3.04Å; E90-L92 VanDerWaalsContact C-N 3.33Å; E90-L92 PolarHBondContact O-N 2.71Å; L92-L95 PolarHBondContact O-N 2.84Å; L92-A96 PolarHBondContact O-N 3.44Å; L92-I108 HydrophobicContact CB-CG2 4.44Å; L92-I108 HydrophobicContact CD1-CD1 4.47Å; L92-I108 HydrophobicContact CD2-CD1 4.21Å; L92-I108 HydrophobicContact CD2-CG1 4.11Å; L92-I108 HydrophobicContact CG-CD1 3.73Å; L92-I108 HydrophobicContact CG-CG1 4.14Å; L92-I108 HydrophobicContact CG-CG2 4.41Å
93G94.9Very high92.1Very high0 Ų026.1 Ų26.10%012%0.118CC..Hα-helixtrans-63.7-47.4173.900000112.4V89 E90 L91 L95 A96 S97V89-G93 PolarHBondContact O-N 3.34Å; E90-G93 WeakPolarHBondContact O-CA 3.47Å; E90-G93 PolarHBondContact O-N 2.81Å; L91-G93 VanDerWaalsContact C-N 3.32Å; L91-G93 PolarHBondContact O-N 2.7Å; G93-L95 VanDerWaalsContact C-N 3.3Å; G93-L95 PolarHBondContact O-N 3.26Å; G93-A96 PolarHBondContact O-N 3.21Å; G93-S97 WeakPolarHBondContact O-CB 3.37Å; G93-S97 PolarHBondContact O-N 3.22Å
94I96.3Very high92.5Very high0 Ų021.1 Ų21.10%010%0.1CC..Hα-helixtrans-61.6-36.6175.5-60.4-56.8000111.6E90 L91 S97 C98 W109 L359 W362 L363 R366E90-I94 HydrophobicContact CG-CG1 4.43Å; E90-I94 WeakPolarHBondContact O-CG1 3.29Å; E90-I94 PolarHBondContact O-N 3.19Å; L91-I94 PolarHBondContact O-N 3.42Å; I94-S97 WeakPolarHBondContact O-CB 3.3Å; I94-S97 PolarHBondContact O-N 3.34Å; I94-C98 PolarHBondContact O-N 2.91Å; I94-C98 PolarHBondContact O-SG 3.46Å; I94-W109 HydrophobicContact CD1-CH2 4.24Å; I94-W109 HydrophobicContact CD1-CZ2 4.17Å; I94-L359 HydrophobicContact CG1-CD1 4.07Å; I94-W362 HydrophobicContact CG2-CB 3.98Å; I94-L363 HydrophobicContact CD1-CD2 3.57Å; I94-L363 HydrophobicContact CD1-CG 4.47Å; I94-L363 HydrophobicContact CG1-CD2 3.91Å; I94-L363 HydrophobicContact CG1-CG 4.29Å; I94-R366 HydrophobicContact CG2-CB 4.33Å
95L95.2Very high93Very high0 Ų016.1 Ų16.10%08%0.077CC..Hα-helixtrans-66.7-46.5174-71.8173.7000112L4 F7 F8 L64 L91 L92 G93 S97 C98 H99 W362L4-L95 HydrophobicContact CD2-CD1 4.24Å; F7-L95 HydrophobicContact CD1-CD1 3.91Å; F7-L95 HydrophobicContact CD1-CD2 4.48Å; F7-L95 HydrophobicContact CE1-CD1 3.81Å; F7-L95 HydrophobicContact CE1-CD2 3.56Å; F7-L95 HydrophobicContact CE1-CG 4.24Å; F7-L95 HydrophobicContact CZ-CD1 4.47Å; F7-L95 HydrophobicContact CZ-CD2 3.82Å; F8-L95 HydrophobicContact CZ-CD1 4.1Å; L64-L95 HydrophobicContact CD2-CB 4.01Å; L64-L95 HydrophobicContact CD2-CD1 4.29Å; L91-L95 HydrophobicContact CD1-CD1 4.16Å; L91-L95 HydrophobicContact CD1-CG 4.07Å; L91-L95 HydrophobicContact CG-CD1 4.25Å; L91-L95 WeakPolarHBondContact O-CB 2.87Å; L91-L95 VanDerWaalsContact O-CG 3.26Å; L91-L95 WeakPolarHBondContact O-CG 3.29Å; L91-L95 PolarHBondContact O-N 2.95Å; L92-L95 PolarHBondContact O-N 2.84Å; G93-L95 VanDerWaalsContact C-N 3.3Å; G93-L95 PolarHBondContact O-N 3.26Å; L95-S97 VanDerWaalsContact C-N 3.27Å; L95-S97 PolarHBondContact O-N 2.84Å; L95-C98 PolarHBondContact O-N 3.33Å; L95-H99 PolarHBondContact O-CD2 2.91Å; L95-H99 PolarHBondContact O-N 2.87Å; L95-W362 HydrophobicContact CD2-CD2 3.43Å; L95-W362 VanDerWaalsContact CD2-CD2 3.43Å; L95-W362 HydrophobicContact CD2-CE3 3.7Å; L95-W362 HydrophobicContact CD2-CG 3.83Å; L95-W362 HydrophobicContact CD2-CH2 4.14Å; L95-W362 HydrophobicContact CD2-CZ2 3.94Å; L95-W362 HydrophobicContact CD2-CZ3 4.04Å
96A95.3Very high93.4Very high0 Ų014 Ų140%07%0.066CC..Hα-helixtrans-59.7-39.2174.500000111.9L92 G93 H99 N100 L101 L104 E105 I108L92-A96 PolarHBondContact O-N 3.44Å; G93-A96 PolarHBondContact O-N 3.21Å; A96-H99 CarbonylContact O-C 3.48Å; A96-H99 PolarHBondContact O-N 2.63Å; A96-N100 PolarHBondContact O-N 3.25Å; A96-L101 PolarHBondContact O-N 2.95Å; A96-L104 HydrophobicContact CB-CD2 4.33Å; A96-L104 HydrophobicContact CB-CG 4.14Å; A96-E105 HydrophobicContact CB-CB 3.91Å; A96-I108 HydrophobicContact CB-CD1 3.71Å
97S95.1Very high93.6Very high4 Ų415.9 Ų15.93%0.0288%0.079CC..Hα-helixtrans-62.6-45173.7-151.20000112.2G93 I94 L95 H99 N100 E105 R366 Y370G93-S97 WeakPolarHBondContact O-CB 3.37Å; G93-S97 PolarHBondContact O-N 3.22Å; I94-S97 WeakPolarHBondContact O-CB 3.3Å; I94-S97 PolarHBondContact O-N 3.34Å; L95-S97 VanDerWaalsContact C-N 3.27Å; L95-S97 PolarHBondContact O-N 2.84Å; S97-H99 VanDerWaalsContact C-N 3.33Å; S97-H99 PolarHBondContact O-N 2.82Å; S97-N100 PolarHBondContact O-N 3.34Å; S97-N100 VanDerWaalsContact O-N 3.1Å; S97-E105 WeakPolarHBondContact CA-OE2 3.27Å; S97-E105 VanDerWaalsContact CB-CD 3.46Å; S97-E105 WeakPolarHBondContact CB-OE1 3.31Å; S97-E105 VanDerWaalsContact OG-CD 3.3Å; S97-E105 PolarHBondContact OG-OE1 2.92Å; S97-E105 PolarHBondContact OG-OE2 2.93Å; S97-R366 WeakPolarHBondContact OG-CD 3.38Å; S97-R366 PolarHBondContact OG-NH1 3.45Å; S97-Y370 PolarHBondContact OG-OH 3.25Å
98C94.5Very high93.8Very high0 Ų015.1 Ų15.10%07%0.074CC..Hα-helixtrans-62.8-38.8174.4-68.90000112.4I94 L95 N100 W362 L369I94-C98 PolarHBondContact O-N 2.91Å; I94-C98 PolarHBondContact O-SG 3.46Å; L95-C98 PolarHBondContact O-N 3.33Å; C98-N100 VanDerWaalsContact C-N 3.25Å; C98-N100 PolarHBondContact O-N 3.15Å; C98-W362 HydrophobicContact CB-CE3 4.31Å; C98-W362 HydrophobicContact CB-CZ3 4.2Å; C98-L369 HydrophobicContact CB-CD1 3.84Å
99H93.2Very high94.1Very high5 Ų512.1 Ų12.12%0.0236%0.063CC..THydrogen-bonded Turntrans-81.82175.3-77.2-89.1000113.8F7 L64 L95 A96 S97 L101 L404F7-H99 AromaticContact CE2-CD2 3.92Å; F7-H99 AromaticContact CE2-NE2 3.45Å; F7-H99 WeakPolarHBondContact CE2-NE2 3.5Å; F7-H99 AromaticContact CZ-CD2 4Å; F7-H99 AromaticContact CZ-NE2 3.45Å; F7-H99 WeakPolarHBondContact CZ-NE2 3.31Å; L64-H99 HydrophobicContact CD1-CB 4.17Å; L95-H99 PolarHBondContact O-CD2 2.91Å; L95-H99 PolarHBondContact O-N 2.87Å; A96-H99 CarbonylContact O-C 3.48Å; A96-H99 PolarHBondContact O-N 2.63Å; S97-H99 VanDerWaalsContact C-N 3.33Å; S97-H99 PolarHBondContact O-N 2.82Å; H99-L101 HydrophobicContact CB-CD1 3.85Å; H99-L101 HydrophobicContact CB-CG 4.08Å; H99-L101 PolarHBondContact O-N 3.3Å; H99-L404 HydrophobicContact CB-CD2 4.5Å; H99-L404 VanDerWaalsContact CE1-CD2 3.46Å; H99-L404 WeakPolarHBondContact CE1-CD2 3.39Å; H99-L404 WeakPolarHBondContact ND1-CD2 3.24Å
100N93Very high94.2Very high18 Ų1818.1 Ų18.110%0.0969%0.089CC..THydrogen-bonded Turntrans61.929.8174-156.660.6000113.7A96 S97 C98 F102 Q142 G594A96-N100 PolarHBondContact O-N 3.25Å; S97-N100 PolarHBondContact O-N 3.34Å; S97-N100 VanDerWaalsContact O-N 3.1Å; C98-N100 VanDerWaalsContact C-N 3.25Å; C98-N100 PolarHBondContact O-N 3.15Å; N100-F102 PolarHBondContact O-N 3.16Å; N100-F102 WeakPolarHBondContact OD1-CE2 3.37Å; N100-F102 WeakPolarHBondContact OD1-CZ 3.48Å; N100-Q142 PolarHBondContact ND2-NE2 2.82Å; N100-Q142 PolarHBondContact ND2-OE1 3.35Å; N100-Q142 PolarHBondContact OD1-OE1 3.07Å; N100-G594 PolarHBondContact ND2-O 3.38Å
101L93.4Very high94Very high18 Ų1819.2 Ų19.29%0.09410%0.096CC..  trans-9365.9-175.9-65.5167.8000110.6T61 L64 A96 H99 E103 L104 E105T61-L101 HydrophobicContact CG2-CD1 3.99Å; T61-L101 HydrophobicContact CG2-CD2 4.32Å; L64-L101 HydrophobicContact CD1-CD1 3.93Å; A96-L101 PolarHBondContact O-N 2.95Å; H99-L101 HydrophobicContact CB-CD1 3.85Å; H99-L101 HydrophobicContact CB-CG 4.08Å; H99-L101 PolarHBondContact O-N 3.3Å; L101-E103 VanDerWaalsContact C-N 3.33Å; L101-E103 PolarHBondContact O-N 2.98Å; L101-E103 VanDerWaalsContact O-N 3.13Å; L101-L104 HydrophobicContact CB-CB 3.97Å; L101-L104 HydrophobicContact CB-CD2 4.2Å; L101-L104 HydrophobicContact CD1-CD2 3.77Å; L101-L104 WeakPolarHBondContact O-CB 3.28Å; L101-L104 PolarHBondContact O-N 3.49Å; L101-E105 PolarHBondContact O-N 2.88Å
102F91.7Very high94Very high25 Ų2519.2 Ų19.211%0.1110%0.096CC..Hα-helixtrans-52.8-38.2-168-63.8-71.6000116.2N100 S106 S135 F138 A139 Q142N100-F102 PolarHBondContact O-N 3.16Å; N100-F102 WeakPolarHBondContact OD1-CE2 3.37Å; N100-F102 WeakPolarHBondContact OD1-CZ 3.48Å; F102-S106 VanDerWaalsContact O-CB 3.25Å; F102-S106 WeakPolarHBondContact O-CB 3.06Å; F102-S106 PolarHBondContact O-N 2.89Å; F102-S106 PolarHBondContact O-OG 3.26Å; F102-S135 VanDerWaalsContact CD1-O 3.31Å; F102-S135 WeakPolarHBondContact CD1-O 3.38Å; F102-F138 HydrophobicContact CE1-CB 3.75Å; F102-F138 HydrophobicContact CZ-CB 4.41Å; F102-A139 HydrophobicContact CB-CB 3.62Å; F102-A139 HydrophobicContact CD1-CB 3.9Å; F102-A139 HydrophobicContact CD2-CB 3.79Å; F102-A139 HydrophobicContact CE2-CB 4.41Å; F102-A139 HydrophobicContact CG-CB 3.49Å; F102-A139 VanDerWaalsContact CG-CB 3.49Å; F102-Q142 HydrophobicContact CE2-CB 4.44Å
103E90Very high94Very high112 Ų11221.3 Ų21.352%0.52311%0.105SC..Hα-helixtrans-70.8-40.9178.1-67.5-54.7134.200111.9L101 S106 S107 K136L101-E103 VanDerWaalsContact C-N 3.33Å; L101-E103 PolarHBondContact O-N 2.98Å; L101-E103 VanDerWaalsContact O-N 3.13Å; E103-S106 PolarHBondContact O-N 3.07Å; E103-S107 PolarHBondContact O-N 2.96Å; E103-S107 PolarHBondContact O-OG 3.25Å; E103-K136 IonicContact OE1-NZ 3.68Å; E103-K136 PolarHBondContact OE1-NZ 3.36Å; E103-K136 IonicContact OE2-NZ 3.33Å; E103-K136 PolarHBondContact OE2-NZ 3.45Å
104L92.8Very high93.8Very high18 Ų1823.7 Ų23.79%0.09412%0.12CC..Hα-helixtrans-63.2-48.5173.8176.758.3000110.4L64 E65 L68 A96 L101 S106 S107 I108L64-L104 HydrophobicContact CB-CD2 3.66Å; E65-L104 HydrophobicContact CG-CD2 4.47Å; L68-L104 HydrophobicContact CB-CD1 3.63Å; L68-L104 HydrophobicContact CD2-CD1 3.63Å; L68-L104 HydrophobicContact CG-CD1 4.21Å; A96-L104 HydrophobicContact CB-CD2 4.33Å; A96-L104 HydrophobicContact CB-CG 4.14Å; L101-L104 HydrophobicContact CB-CB 3.97Å; L101-L104 HydrophobicContact CB-CD2 4.2Å; L101-L104 HydrophobicContact CD1-CD2 3.77Å; L101-L104 WeakPolarHBondContact O-CB 3.28Å; L101-L104 PolarHBondContact O-N 3.49Å; L104-S106 VanDerWaalsContact C-N 3.32Å; L104-S106 PolarHBondContact O-N 3.01Å; L104-S107 PolarHBondContact O-N 3.04Å; L104-I108 HydrophobicContact CD1-CD1 3.93Å; L104-I108 HydrophobicContact CD1-CG1 4.28Å; L104-I108 HydrophobicContact CG-CD1 3.79Å; L104-I108 VanDerWaalsContact O-CD1 3.28Å; L104-I108 WeakPolarHBondContact O-CD1 3.29Å; L104-I108 WeakPolarHBondContact O-CG1 3.24Å; L104-I108 PolarHBondContact O-N 3.42Å
105E95.3Very high93.5Very high5 Ų525.6 Ų25.62%0.02313%0.13CC..Hα-helixtrans-54.6-47.3174178.9173.4-16400111.4A96 S97 L101 S107 I108 W109 R366A96-E105 HydrophobicContact CB-CB 3.91Å; S97-E105 WeakPolarHBondContact CA-OE2 3.27Å; S97-E105 VanDerWaalsContact CB-CD 3.46Å; S97-E105 WeakPolarHBondContact CB-OE1 3.31Å; S97-E105 VanDerWaalsContact OG-CD 3.3Å; S97-E105 PolarHBondContact OG-OE1 2.92Å; S97-E105 PolarHBondContact OG-OE2 2.93Å; L101-E105 PolarHBondContact O-N 2.88Å; E105-S107 PolarHBondContact O-N 3.02Å; E105-I108 PolarHBondContact O-N 3.48Å; E105-W109 VanDerWaalsContact CG-CD1 3.42Å; E105-W109 PolarHBondContact O-N 3.3Å; E105-W109 PolarHBondContact OE1-NE1 2.89Å; E105-W109 VanDerWaalsContact OE1-NE1 3.12Å; E105-R366 IonicContact OE1-NH1 3.12Å
106S94.5Very high93.3Very high2 Ų225.6 Ų25.61%0.01413%0.13CC..Hα-helixtrans-63-42.1179-58.50000112.2F102 E103 L104 K110 Y132 S135 K136F102-S106 VanDerWaalsContact O-CB 3.25Å; F102-S106 WeakPolarHBondContact O-CB 3.06Å; F102-S106 PolarHBondContact O-N 2.89Å; F102-S106 PolarHBondContact O-OG 3.26Å; E103-S106 PolarHBondContact O-N 3.07Å; L104-S106 VanDerWaalsContact C-N 3.32Å; L104-S106 PolarHBondContact O-N 3.01Å; S106-K110 WeakPolarHBondContact O-CB 3.43Å; S106-K110 PolarHBondContact O-N 3.11Å; S106-Y132 VanDerWaalsContact O-CD2 3.27Å; S106-Y132 WeakPolarHBondContact O-CD2 3.3Å; S106-S135 PolarHBondContact OG-OG 2.82Å; S106-K136 WeakPolarHBondContact OG-CE 3.49Å
107S94.2Very high93Very high43 Ų4329.5 Ų29.530%0.30115%0.151SC..Hα-helixtrans-64.8-42.5174.7-70.40000112.1E103 L104 E105 W109 K110 V111E103-S107 PolarHBondContact O-N 2.96Å; E103-S107 PolarHBondContact O-OG 3.25Å; L104-S107 PolarHBondContact O-N 3.04Å; E105-S107 PolarHBondContact O-N 3.02Å; S107-W109 PolarHBondContact O-N 3.03Å; S107-K110 PolarHBondContact O-N 3.47Å; S107-V111 WeakPolarHBondContact O-CG2 3.43Å; S107-V111 PolarHBondContact O-N 2.92Å
108I95Very high92.7Very high0 Ų035.1 Ų35.10%018%0.181CC..Hα-helixtrans-59.8-48.5176.7-65.3155000110.9L68 V89 L92 A96 L104 E105 K110 V111 M112L68-I108 HydrophobicContact CD1-CG1 4.2Å; V89-I108 HydrophobicContact CG1-CG2 3.74Å; V89-I108 WeakPolarHBondContact O-CG2 3.23Å; L92-I108 HydrophobicContact CB-CG2 4.44Å; L92-I108 HydrophobicContact CD1-CD1 4.47Å; L92-I108 HydrophobicContact CD2-CD1 4.21Å; L92-I108 HydrophobicContact CD2-CG1 4.11Å; L92-I108 HydrophobicContact CG-CD1 3.73Å; L92-I108 HydrophobicContact CG-CG1 4.14Å; L92-I108 HydrophobicContact CG-CG2 4.41Å; A96-I108 HydrophobicContact CB-CD1 3.71Å; L104-I108 HydrophobicContact CD1-CD1 3.93Å; L104-I108 HydrophobicContact CD1-CG1 4.28Å; L104-I108 HydrophobicContact CG-CD1 3.79Å; L104-I108 VanDerWaalsContact O-CD1 3.28Å; L104-I108 WeakPolarHBondContact O-CD1 3.29Å; L104-I108 WeakPolarHBondContact O-CG1 3.24Å; L104-I108 PolarHBondContact O-N 3.42Å; E105-I108 PolarHBondContact O-N 3.48Å; I108-K110 VanDerWaalsContact C-N 3.34Å; I108-K110 PolarHBondContact O-N 3.32Å; I108-V111 PolarHBondContact O-N 3.33Å; I108-M112 PolarHBondContact O-N 3.46Å
109W96.3Very high92.4Very high0 Ų037.5 Ų37.50%020%0.197CC..Hα-helixtrans-64.2-37.1177.5-67.2129000112.3E90 I94 E105 S107 M112 F113 Y127 A128 N131E90-W109 HydrophobicContact CG-CH2 4.07Å; E90-W109 HydrophobicContact CG-CZ3 4.28Å; I94-W109 HydrophobicContact CD1-CH2 4.24Å; I94-W109 HydrophobicContact CD1-CZ2 4.17Å; E105-W109 VanDerWaalsContact CG-CD1 3.42Å; E105-W109 PolarHBondContact O-N 3.3Å; E105-W109 PolarHBondContact OE1-NE1 2.89Å; E105-W109 VanDerWaalsContact OE1-NE1 3.12Å; S107-W109 PolarHBondContact O-N 3.03Å; W109-M112 HydrophobicContact CE3-SD 3.8Å; W109-M112 HydrophobicContact CZ3-SD 3.58Å; W109-M112 VanDerWaalsContact CZ3-SD 3.58Å; W109-M112 PolarHBondContact O-N 3.04Å; W109-F113 WeakPolarHBondContact O-CB 3.34Å; W109-F113 PolarHBondContact O-N 3.24Å; W109-Y127 HydrophobicContact CH2-CE1 4.24Å; W109-Y127 HydrophobicContact CZ3-CD1 4.45Å; W109-Y127 HydrophobicContact CZ3-CE1 4.08Å; W109-A128 HydrophobicContact CE3-CB 4.38Å; W109-N131 HydrophobicContact CD2-CB 3.52Å; W109-N131 HydrophobicContact CE3-CB 3.98Å; W109-N131 HydrophobicContact CG-CB 3.89Å; W109-N131 HydrophobicContact CH2-CB 4.21Å; W109-N131 HydrophobicContact CZ2-CB 3.78Å; W109-N131 HydrophobicContact CZ3-CB 4.29Å
110K93.1Very high92Very high126 Ų12640.1 Ų40.155%0.54823%0.225SC..Hα-helixtrans-64.7-38.1174.6-173.4178.1179.4-177.80112.6S106 S107 I108 T114 Y132S106-K110 WeakPolarHBondContact O-CB 3.43Å; S106-K110 PolarHBondContact O-N 3.11Å; S107-K110 PolarHBondContact O-N 3.47Å; I108-K110 VanDerWaalsContact C-N 3.34Å; I108-K110 PolarHBondContact O-N 3.32Å; K110-T114 PolarHBondContact O-N 3.29Å; K110-T114 PolarHBondContact O-OG1 2.92Å; K110-Y132 HydrophobicContact CB-CD2 4.33Å; K110-Y132 HydrophobicContact CB-CE2 4.43Å
111V92.2Very high91.8Very high28 Ų2843.4 Ų43.417%0.1724%0.236CC..Hα-helixtrans-68.7-41.9172.4175.50000110.9L71 E72 S107 I108 F113 T114 I115L71-V111 HydrophobicContact CD1-CG1 4.1Å; L71-V111 HydrophobicContact CD2-CB 4.4Å; L71-V111 HydrophobicContact CD2-CG1 3.97Å; L71-V111 HydrophobicContact CG-CG1 3.86Å; E72-V111 HydrophobicContact CG-CG2 4.39Å; S107-V111 WeakPolarHBondContact O-CG2 3.43Å; S107-V111 PolarHBondContact O-N 2.92Å; I108-V111 PolarHBondContact O-N 3.33Å; V111-F113 PolarHBondContact O-N 3.44Å; V111-T114 WeakPolarHBondContact O-CB 3.39Å; V111-T114 PolarHBondContact O-N 3.4Å; V111-I115 HydrophobicContact CG1-CD1 3.72Å; V111-I115 HydrophobicContact CG1-CG1 4.31Å; V111-I115 WeakPolarHBondContact O-CG1 3.38Å; V111-I115 PolarHBondContact O-N 3.03Å
112M93.8Very high91.7Very high0 Ų046.6 Ų46.60%025%0.25CC..Hα-helixtrans-60.7-42.6176-167.1174.6168.400112.4L86 V89 E90 I108 W109 I115 S116 Y127 A128L86-M112 HydrophobicContact CB-CE 4.31Å; L86-M112 HydrophobicContact CD2-CE 4.19Å; L86-M112 HydrophobicContact CD2-CG 3.78Å; V89-M112 HydrophobicContact CB-CG 4.49Å; V89-M112 HydrophobicContact CG1-CB 3.66Å; V89-M112 HydrophobicContact CG1-CG 4.07Å; V89-M112 HydrophobicContact CG1-SD 4.41Å; E90-M112 HydrophobicContact CB-CE 4.14Å; E90-M112 HydrophobicContact CB-SD 4.18Å; I108-M112 PolarHBondContact O-N 3.46Å; W109-M112 HydrophobicContact CE3-SD 3.8Å; W109-M112 HydrophobicContact CZ3-SD 3.58Å; W109-M112 VanDerWaalsContact CZ3-SD 3.58Å; W109-M112 PolarHBondContact O-N 3.04Å; M112-I115 PolarHBondContact O-N 2.85Å; M112-S116 VanDerWaalsContact O-CB 3.31Å; M112-S116 WeakPolarHBondContact O-CB 3.48Å; M112-S116 PolarHBondContact O-N 3.37Å; M112-S116 PolarHBondContact O-OG 3.44Å; M112-Y127 HydrophobicContact CE-CD1 4.35Å; M112-A128 HydrophobicContact CB-CB 3.84Å; M112-A128 HydrophobicContact CG-CB 3.9Å; M112-A128 HydrophobicContact SD-CB 4.26Å
113F93.9Very high91.8Very high43 Ų4346.3 Ų46.319%0.18925%0.249CC..Hα-helixtrans-57.1-52.6172.1172.5-102.1000110.3W109 V111 I115 S116 D117 A125 A128 L129 I167W109-F113 WeakPolarHBondContact O-CB 3.34Å; W109-F113 PolarHBondContact O-N 3.24Å; V111-F113 PolarHBondContact O-N 3.44Å; F113-I115 VanDerWaalsContact C-N 3.33Å; F113-I115 PolarHBondContact O-N 3.29Å; F113-S116 PolarHBondContact O-N 2.96Å; F113-S116 VanDerWaalsContact O-N 3.1Å; F113-D117 VanDerWaalsContact O-CB 3.27Å; F113-D117 WeakPolarHBondContact O-CB 3.41Å; F113-D117 PolarHBondContact O-N 3.47Å; F113-A125 HydrophobicContact CD2-CB 4.04Å; F113-A125 WeakPolarHBondContact CD2-O 3.29Å; F113-A125 HydrophobicContact CE2-CB 4.22Å; F113-A128 HydrophobicContact CB-CB 4Å; F113-L129 HydrophobicContact CD2-CB 3.84Å; F113-L129 HydrophobicContact CE2-CB 4.2Å; F113-L129 HydrophobicContact CE2-CD2 4.08Å; F113-I167 HydrophobicContact CE2-CD1 3.92Å; F113-I167 HydrophobicContact CZ-CD1 4.2Å
114T90.8Very high92Very high51 Ų5141.9 Ų41.931%0.31323%0.229SC..Hα-helixtrans-57-42.6180-53.80000112.3K110 V111 N118K110-T114 PolarHBondContact O-N 3.29Å; K110-T114 PolarHBondContact O-OG1 2.92Å; V111-T114 WeakPolarHBondContact O-CB 3.39Å; V111-T114 PolarHBondContact O-N 3.4Å; T114-N118 WeakPolarHBondContact O-CB 3.43Å; T114-N118 PolarHBondContact O-N 3.08Å; T114-N118 PolarHBondContact O-ND2 2.78Å
115I90Very high92Very high40 Ų4041 Ų4121%0.20523%0.225CC..Hα-helixtrans-69-39.4177.8-66.9166.8000111.5L71 V82 L85 L86 V111 M112 F113 S119L71-I115 HydrophobicContact CD1-CD1 4.25Å; V82-I115 HydrophobicContact CG1-CG2 4.41Å; L85-I115 HydrophobicContact CD2-CD1 4.25Å; L85-I115 HydrophobicContact CD2-CG2 4.36Å; L86-I115 HydrophobicContact CD2-CB 4.35Å; L86-I115 HydrophobicContact CD2-CG2 3.92Å; V111-I115 HydrophobicContact CG1-CD1 3.72Å; V111-I115 HydrophobicContact CG1-CG1 4.31Å; V111-I115 WeakPolarHBondContact O-CG1 3.38Å; V111-I115 PolarHBondContact O-N 3.03Å; M112-I115 PolarHBondContact O-N 2.85Å; F113-I115 VanDerWaalsContact C-N 3.33Å; F113-I115 PolarHBondContact O-N 3.29Å; I115-S119 WeakPolarHBondContact O-CB 3.45Å; I115-S119 PolarHBondContact O-N 3.33Å; I115-S119 PolarHBondContact O-OG 3.41Å
116S91.7Very high92Very high0 Ų040.8 Ų40.80%022%0.224CC..Hα-helixtrans-71.4-44.5-177.5-56.70000111.8L86 M112 F113 S119 G120 R121 D124 A125L86-S116 VanDerWaalsContact CD2-OG 3.31Å; L86-S116 WeakPolarHBondContact CD2-OG 3.49Å; M112-S116 VanDerWaalsContact O-CB 3.31Å; M112-S116 WeakPolarHBondContact O-CB 3.48Å; M112-S116 PolarHBondContact O-N 3.37Å; M112-S116 PolarHBondContact O-OG 3.44Å; F113-S116 PolarHBondContact O-N 2.96Å; F113-S116 VanDerWaalsContact O-N 3.1Å; S116-S119 CarbonylContact O-C 3.57Å; S116-S119 PolarHBondContact O-N 3.21Å; S116-S119 VanDerWaalsContact O-N 3.15Å; S116-S119 PolarHBondContact O-OG 3.45Å; S116-S119 VanDerWaalsContact O-OG 3.12Å; S116-G120 PolarHBondContact O-N 3.17Å; S116-R121 WeakPolarHBondContact O-CB 3.27Å; S116-R121 PolarHBondContact O-N 3.33Å; S116-D124 WeakPolarHBondContact OG-CB 3.29Å; S116-A125 VanDerWaalsContact CB-N 3.31Å
117D89.5Confident92.1Very high81 Ų8140.7 Ų40.743%0.43322%0.223SC..Hα-helixtrans-61.1-52.8177.4-17559.1000111.4F113 S119 G120F113-D117 VanDerWaalsContact O-CB 3.27Å; F113-D117 WeakPolarHBondContact O-CB 3.41Å; F113-D117 PolarHBondContact O-N 3.47Å; D117-S119 PolarHBondContact O-N 3.42Å; D117-G120 PolarHBondContact O-N 2.84Å
118N88Confident92.2Very high123 Ų12338.7 Ų38.766%0.65821%0.209SC*.THydrogen-bonded Turntrans-62.9-7.4174.9-77.5-89.9000114.4T114T114-N118 WeakPolarHBondContact O-CB 3.43Å; T114-N118 PolarHBondContact O-N 3.08Å; T114-N118 PolarHBondContact O-ND2 2.78Å
119S87.5Confident92.3Very high49 Ų4939 Ų3934%0.34321%0.211SC..THydrogen-bonded Turntrans-115.612.1174.658.60000114I115 S116 D117 R121I115-S119 WeakPolarHBondContact O-CB 3.45Å; I115-S119 PolarHBondContact O-N 3.33Å; I115-S119 PolarHBondContact O-OG 3.41Å; S116-S119 CarbonylContact O-C 3.57Å; S116-S119 PolarHBondContact O-N 3.21Å; S116-S119 VanDerWaalsContact O-N 3.15Å; S116-S119 PolarHBondContact O-OG 3.45Å; S116-S119 VanDerWaalsContact O-OG 3.12Å; D117-S119 PolarHBondContact O-N 3.42Å; S119-R121 PolarHBondContact O-N 3.07Å; S119-R121 WeakPolarHBondContact OG-CD 3.36Å
120G85.9Confident92.3Very high60 Ų6039 Ų3962%0.61921%0.211SC*.THydrogen-bonded Turntrans69.216.2177.800000114.4S116 D117 F122S116-G120 PolarHBondContact O-N 3.17Å; D117-G120 PolarHBondContact O-N 2.84Å; G120-F122 PolarHBondContact O-N 2.97Å; G120-F122 VanDerWaalsContact O-N 3.15Å
121R89.2Confident92.4Very high87 Ų8733.3 Ų33.333%0.32819%0.186SC..  trans-90.468-174.3-66.1-179.5153.3-84.5-16.7111.2L86 S116 S119 L123 D124 A125L86-R121 VanDerWaalsContact CD1-CD 3.43Å; S116-R121 WeakPolarHBondContact O-CB 3.27Å; S116-R121 PolarHBondContact O-N 3.33Å; S119-R121 PolarHBondContact O-N 3.07Å; S119-R121 WeakPolarHBondContact OG-CD 3.36Å; R121-L123 PolarHBondContact O-N 3.02Å; R121-L123 VanDerWaalsContact O-N 3.12Å; R121-D124 HydrophobicContact CB-CB 4Å; R121-D124 WeakPolarHBondContact CD-OD2 3.4Å; R121-D124 IonicContact CZ-OD2 2.67Å; R121-D124 IonicContact NH1-OD2 3.23Å; R121-D124 PolarHBondContact NH1-OD2 2.99Å; R121-D124 PolarHBondContact O-N 3.48Å; R121-A125 WeakPolarHBondContact O-CB 3.27Å; R121-A125 PolarHBondContact O-N 3.1Å
122F90.9Very high92.6Very high85 Ų8534.9 Ų34.937%0.37319%0.19SC..Hα-helixtrans-50.8-37.5-176.461.1-90.8000114.2G120 S126 I167 S170 A174G120-F122 PolarHBondContact O-N 2.97Å; G120-F122 VanDerWaalsContact O-N 3.15Å; F122-S126 WeakPolarHBondContact O-CB 3.42Å; F122-S126 PolarHBondContact O-N 2.95Å; F122-S126 PolarHBondContact O-OG 3.24Å; F122-I167 HydrophobicContact CB-CG2 4.01Å; F122-I167 VanDerWaalsContact O-CG2 3.29Å; F122-I167 WeakPolarHBondContact O-CG2 3.4Å; F122-S170 WeakPolarHBondContact CE2-O 3.19Å; F122-A174 HydrophobicContact CE2-CB 3.62Å; F122-A174 HydrophobicContact CZ-CB 3.89Å
123L93.3Very high92.7Very high19 Ų1935 Ų3510%0.09919%0.19CC..Hα-helixtrans-66.5-50.8174.8179.565.6000112.5R121 A125 S126 Y127 T171 L180 A185 Q188R121-L123 PolarHBondContact O-N 3.02Å; R121-L123 VanDerWaalsContact O-N 3.12Å; L123-A125 PolarHBondContact O-N 3.38Å; L123-S126 WeakPolarHBondContact CA-OG 3.32Å; L123-S126 PolarHBondContact O-N 3.48Å; L123-S126 PolarHBondContact O-OG 3.26Å; L123-Y127 VanDerWaalsContact O-CB 3.29Å; L123-Y127 WeakPolarHBondContact O-CB 3.49Å; L123-Y127 PolarHBondContact O-N 3.26Å; L123-T171 HydrophobicContact CD1-CG2 3.76Å; L123-L180 HydrophobicContact CD2-CD2 3.95Å; L123-A185 HydrophobicContact CD2-CB 3.6Å; L123-Q188 HydrophobicContact CD1-CB 4.19Å; L123-Q188 HydrophobicContact CD2-CB 4.42Å; L123-Q188 HydrophobicContact CG-CB 4.28Å
124D93.4Very high92.8Very high19 Ų1933.5 Ų33.510%0.10218%0.184CC..Hα-helixtrans-63.7-33.9179.1-63.4-54000110.7L86 S116 R121 A128 Q188L86-D124 HydrophobicContact CD1-CB 4.01Å; S116-D124 WeakPolarHBondContact OG-CB 3.29Å; R121-D124 HydrophobicContact CB-CB 4Å; R121-D124 WeakPolarHBondContact CD-OD2 3.4Å; R121-D124 IonicContact CZ-OD2 2.67Å; R121-D124 IonicContact NH1-OD2 3.23Å; R121-D124 PolarHBondContact NH1-OD2 2.99Å; R121-D124 PolarHBondContact O-N 3.48Å; D124-A128 VanDerWaalsContact O-CB 3.28Å; D124-A128 WeakPolarHBondContact O-CB 3.38Å; D124-A128 PolarHBondContact O-N 2.88Å; D124-Q188 PolarHBondContact OD1-NE2 3.44Å
125A94.1Very high92.9Very high1 Ų131.1 Ų31.11%0.00817%0.169CC..Hα-helixtrans-68.5-52.8175.300000112.3F113 S116 R121 L123 Y127 A128 L129 I167F113-A125 HydrophobicContact CD2-CB 4.04Å; F113-A125 WeakPolarHBondContact CD2-O 3.29Å; F113-A125 HydrophobicContact CE2-CB 4.22Å; S116-A125 VanDerWaalsContact CB-N 3.31Å; R121-A125 WeakPolarHBondContact O-CB 3.27Å; R121-A125 PolarHBondContact O-N 3.1Å; L123-A125 PolarHBondContact O-N 3.38Å; A125-Y127 VanDerWaalsContact C-N 3.3Å; A125-Y127 PolarHBondContact O-N 3.33Å; A125-A128 PolarHBondContact O-N 3.25Å; A125-L129 WeakPolarHBondContact O-CB 3.36Å; A125-L129 PolarHBondContact O-N 3.23Å; A125-I167 HydrophobicContact CB-CG2 4.14Å
126S95.5Very high93Very high0 Ų031 Ų310%017%0.168CC..Hα-helixtrans-58.9-41.5176.8510000111.7F122 L123 L129 T130 T171F122-S126 WeakPolarHBondContact O-CB 3.42Å; F122-S126 PolarHBondContact O-N 2.95Å; F122-S126 PolarHBondContact O-OG 3.24Å; L123-S126 WeakPolarHBondContact CA-OG 3.32Å; L123-S126 PolarHBondContact O-N 3.48Å; L123-S126 PolarHBondContact O-OG 3.26Å; S126-L129 PolarHBondContact O-N 2.9Å; S126-T130 WeakPolarHBondContact O-CB 3.38Å; S126-T130 PolarHBondContact O-N 3.23Å; S126-T130 PolarHBondContact O-OG1 2.86Å; S126-T171 PolarHBondContact OG-OG1 3.47Å
127Y96.7Very high93Very high0 Ų031.1 Ų31.10%017%0.168CC..Hα-helixtrans-62.7-45.2175.1177.6-108.2000112.8E90 W109 M112 L123 A125 N131 Q188 V191 V192E90-Y127 HydrophobicContact CG-CE1 3.99Å; E90-Y127 WeakPolarHBondContact OE1-CE1 3.4Å; E90-Y127 PolarHBondContact OE1-OH 3.04Å; W109-Y127 HydrophobicContact CH2-CE1 4.24Å; W109-Y127 HydrophobicContact CZ3-CD1 4.45Å; W109-Y127 HydrophobicContact CZ3-CE1 4.08Å; M112-Y127 HydrophobicContact CE-CD1 4.35Å; L123-Y127 VanDerWaalsContact O-CB 3.29Å; L123-Y127 WeakPolarHBondContact O-CB 3.49Å; L123-Y127 PolarHBondContact O-N 3.26Å; A125-Y127 VanDerWaalsContact C-N 3.3Å; A125-Y127 PolarHBondContact O-N 3.33Å; Y127-N131 WeakPolarHBondContact CD2-ND2 3.43Å; Y127-N131 WeakPolarHBondContact CE2-ND2 3.39Å; Y127-N131 PolarHBondContact O-N 2.98Å; Y127-N131 PolarHBondContact O-ND2 3.38Å; Y127-Q188 HydrophobicContact CD1-CG 4.06Å; Y127-Q188 HydrophobicContact CD2-CB 3.85Å; Y127-Q188 HydrophobicContact CD2-CG 3.99Å; Y127-Q188 HydrophobicContact CE1-CG 4.15Å; Y127-Q188 HydrophobicContact CE2-CB 4.3Å; Y127-Q188 HydrophobicContact CE2-CG 4.1Å; Y127-Q188 HydrophobicContact CG-CB 4.01Å; Y127-Q188 HydrophobicContact CG-CG 3.95Å; Y127-V191 HydrophobicContact CD2-CB 4.13Å; Y127-V191 HydrophobicContact CD2-CG1 4.07Å; Y127-V191 HydrophobicContact CE2-CB 3.86Å; Y127-V191 HydrophobicContact CE2-CG1 3.74Å; Y127-V191 HydrophobicContact CE2-CG2 4.36Å; Y127-V192 VanDerWaalsContact CA-CG2 3.42Å
128A96.1Very high93.1Very high0 Ų028.5 Ų28.50%015%0.153CC..Hα-helixtrans-62.8-43.817500000112W109 M112 F113 D124 A125 N131 Y132W109-A128 HydrophobicContact CE3-CB 4.38Å; M112-A128 HydrophobicContact CB-CB 3.84Å; M112-A128 HydrophobicContact CG-CB 3.9Å; M112-A128 HydrophobicContact SD-CB 4.26Å; F113-A128 HydrophobicContact CB-CB 4Å; D124-A128 VanDerWaalsContact O-CB 3.28Å; D124-A128 WeakPolarHBondContact O-CB 3.38Å; D124-A128 PolarHBondContact O-N 2.88Å; A125-A128 PolarHBondContact O-N 3.25Å; A128-N131 PolarHBondContact O-N 3.49Å; A128-Y132 WeakPolarHBondContact O-CB 3.48Å; A128-Y132 PolarHBondContact O-N 2.92Å
129L96.1Very high93.2Very high8 Ų822.9 Ų22.94%0.04212%0.123CC..Hα-helixtrans-65-43178.4-173.160.3000112F113 A125 S126 Y132 C133 V160 L161 S164 F168F113-L129 HydrophobicContact CD2-CB 3.84Å; F113-L129 HydrophobicContact CE2-CB 4.2Å; F113-L129 HydrophobicContact CE2-CD2 4.08Å; A125-L129 WeakPolarHBondContact O-CB 3.36Å; A125-L129 PolarHBondContact O-N 3.23Å; S126-L129 PolarHBondContact O-N 2.9Å; L129-Y132 HydrophobicContact CD1-CD1 4.22Å; L129-Y132 WeakPolarHBondContact O-CB 3.33Å; L129-Y132 PolarHBondContact O-N 3.5Å; L129-C133 WeakPolarHBondContact O-CB 3.44Å; L129-C133 PolarHBondContact O-N 3.3Å; L129-C133 PolarHBondContact O-SG 3.47Å; L129-V160 HydrophobicContact CD1-CG1 4.05Å; L129-L161 HydrophobicContact CG-CD2 4.35Å; L129-S164 VanDerWaalsContact CD2-CB 3.45Å; L129-S164 WeakPolarHBondContact CD2-OG 3.45Å; L129-F168 HydrophobicContact CB-CZ 4.32Å; L129-F168 HydrophobicContact CD2-CE2 3.84Å; L129-F168 HydrophobicContact CD2-CZ 3.78Å; L129-F168 HydrophobicContact CG-CZ 4.16Å
130T96.2Very high93.1Very high0 Ų023.4 Ų23.40%012%0.118CC..Hα-helixtrans-61.7-44.5174.7-58.90000111.6S126 C133 L134 F168S126-T130 WeakPolarHBondContact O-CB 3.38Å; S126-T130 PolarHBondContact O-N 3.23Å; S126-T130 PolarHBondContact O-OG1 2.86Å; T130-C133 PolarHBondContact O-N 2.93Å; T130-L134 HydrophobicContact CG2-CD1 4.03Å; T130-L134 HydrophobicContact CG2-CG 4.35Å; T130-L134 WeakPolarHBondContact O-CB 3.17Å; T130-L134 VanDerWaalsContact O-CG 3.32Å; T130-L134 WeakPolarHBondContact O-CG 3.08Å; T130-L134 PolarHBondContact O-N 3.02Å; T130-F168 WeakPolarHBondContact OG1-CE1 3.36Å
131N96.7Very high93.2Very high6 Ų621.3 Ų21.33%0.0329%0.092CC..Hα-helixtrans-67.6-34.7178-75.9-92.8000112.3W109 Y127 A128 L134 S135W109-N131 HydrophobicContact CD2-CB 3.52Å; W109-N131 HydrophobicContact CE3-CB 3.98Å; W109-N131 HydrophobicContact CG-CB 3.89Å; W109-N131 HydrophobicContact CH2-CB 4.21Å; W109-N131 HydrophobicContact CZ2-CB 3.78Å; W109-N131 HydrophobicContact CZ3-CB 4.29Å; Y127-N131 WeakPolarHBondContact CD2-ND2 3.43Å; Y127-N131 WeakPolarHBondContact CE2-ND2 3.39Å; Y127-N131 PolarHBondContact O-N 2.98Å; Y127-N131 PolarHBondContact O-ND2 3.38Å; A128-N131 PolarHBondContact O-N 3.49Å; N131-L134 PolarHBondContact O-N 2.76Å; N131-S135 WeakPolarHBondContact O-CB 3.37Å; N131-S135 PolarHBondContact O-N 3.37Å; N131-S135 PolarHBondContact O-OG 2.85Å
132Y96.3Very high92.9Very high61 Ų6118.5 Ų18.524%0.2398%0.083CC..Hα-helixtrans-59.8-46.1170.6168.9-103.8000112.6S106 K110 A128 L129 S135 K136S106-Y132 VanDerWaalsContact O-CD2 3.27Å; S106-Y132 WeakPolarHBondContact O-CD2 3.3Å; K110-Y132 HydrophobicContact CB-CD2 4.33Å; K110-Y132 HydrophobicContact CB-CE2 4.43Å; A128-Y132 WeakPolarHBondContact O-CB 3.48Å; A128-Y132 PolarHBondContact O-N 2.92Å; L129-Y132 HydrophobicContact CD1-CD1 4.22Å; L129-Y132 WeakPolarHBondContact O-CB 3.33Å; L129-Y132 PolarHBondContact O-N 3.5Å; Y132-S135 PolarHBondContact O-OG 3.03Å; Y132-K136 HydrophobicContact CE2-CG 4.46Å; Y132-K136 PolarHBondContact O-N 2.91Å
133C95.3Very high92.2Very high1 Ų116.5 Ų16.51%0.0078%0.076CC..Hα-helixtrans-66.5-39.3178.4-690000111.8L129 T130 I137 V157 L161 I199L129-C133 WeakPolarHBondContact O-CB 3.44Å; L129-C133 PolarHBondContact O-N 3.3Å; L129-C133 PolarHBondContact O-SG 3.47Å; T130-C133 PolarHBondContact O-N 2.93Å; C133-I137 PolarHBondContact O-N 3.22Å; C133-V157 HydrophobicContact CB-CG1 3.47Å; C133-V157 VanDerWaalsContact CB-CG1 3.47Å; C133-L161 HydrophobicContact CB-CD2 4.2Å; C133-L161 HydrophobicContact CB-CG 4.41Å; C133-L161 VanDerWaalsContact SG-CD2 3.59Å; C133-I199 HydrophobicContact CB-CD1 3.69Å
134L95Very high91.1Very high12 Ų1215.8 Ų15.86%0.0637%0.073CC..Hα-helixtrans-68.1-44.6174.5-72.1174.9000112.5T130 N131 K136 I137 F138 Y198 I199T130-L134 HydrophobicContact CG2-CD1 4.03Å; T130-L134 HydrophobicContact CG2-CG 4.35Å; T130-L134 WeakPolarHBondContact O-CB 3.17Å; T130-L134 VanDerWaalsContact O-CG 3.32Å; T130-L134 WeakPolarHBondContact O-CG 3.08Å; T130-L134 PolarHBondContact O-N 3.02Å; N131-L134 PolarHBondContact O-N 2.76Å; L134-K136 VanDerWaalsContact C-N 3.25Å; L134-K136 PolarHBondContact O-N 2.86Å; L134-I137 PolarHBondContact O-N 2.87Å; L134-I137 VanDerWaalsContact O-N 3.09Å; L134-F138 HydrophobicContact CB-CD2 4.28Å; L134-F138 HydrophobicContact CB-CE2 3.8Å; L134-F138 HydrophobicContact CB-CZ 4.18Å; L134-F138 HydrophobicContact CD2-CE1 4.4Å; L134-F138 HydrophobicContact CD2-CE2 4.38Å; L134-F138 HydrophobicContact CD2-CZ 3.89Å; L134-F138 HydrophobicContact CG-CE2 4.48Å; L134-F138 HydrophobicContact CG-CZ 4.44Å; L134-F138 VanDerWaalsContact O-CD2 3.32Å; L134-F138 WeakPolarHBondContact O-CD2 3.37Å; L134-F138 VanDerWaalsContact O-CG 3.27Å; L134-F138 WeakPolarHBondContact O-CG 3.24Å; L134-F138 PolarHBondContact O-N 3.24Å; L134-Y198 HydrophobicContact CD2-CD1 3.86Å; L134-I199 HydrophobicContact CD2-CD1 3.98Å; L134-I199 HydrophobicContact CD2-CG1 4.14Å; L134-I199 HydrophobicContact CG-CD1 4.28Å
135S94.5Very high89.7Confident1 Ų115.2 Ų15.21%0.0077%0.071CC..Hα-helixtrans-61.4-36.2179.7650000111.6F102 S106 N131 Y132 A139F102-S135 VanDerWaalsContact CD1-O 3.31Å; F102-S135 WeakPolarHBondContact CD1-O 3.38Å; S106-S135 PolarHBondContact OG-OG 2.82Å; N131-S135 WeakPolarHBondContact O-CB 3.37Å; N131-S135 PolarHBondContact O-N 3.37Å; N131-S135 PolarHBondContact O-OG 2.85Å; Y132-S135 PolarHBondContact O-OG 3.03Å; S135-A139 WeakPolarHBondContact O-CB 3.46Å; S135-A139 PolarHBondContact O-N 3.33Å; S135-A139 VanDerWaalsContact O-N 3.14Å
136K92.2Very high88.3Confident39 Ų3916.6 Ų16.617%0.178%0.079CC..Hα-helixtrans-65.5-46.6171.3-76.5-73.8167.3-177.50112.5E103 S106 Y132 L134 A139 Y140 V157E103-K136 IonicContact OE1-NZ 3.68Å; E103-K136 PolarHBondContact OE1-NZ 3.36Å; E103-K136 IonicContact OE2-NZ 3.33Å; E103-K136 PolarHBondContact OE2-NZ 3.45Å; S106-K136 WeakPolarHBondContact OG-CE 3.49Å; Y132-K136 HydrophobicContact CE2-CG 4.46Å; Y132-K136 PolarHBondContact O-N 2.91Å; L134-K136 VanDerWaalsContact C-N 3.25Å; L134-K136 PolarHBondContact O-N 2.86Å; K136-A139 WeakPolarHBondContact O-CB 3.32Å; K136-A139 PolarHBondContact O-N 3.26Å; K136-Y140 WeakPolarHBondContact O-CD2 3.46Å; K136-Y140 PolarHBondContact O-N 3.1Å; K136-V157 HydrophobicContact CB-CG2 4.36Å
137I91.4Very high87.1Confident1 Ų120.5 Ų20.51%0.0059%0.094CC..Hα-helixtrans-64.7-46.3180-75.3166.7000111.7C133 L134 A139 Y140 E141 V157 Y198 I199 Y202C133-I137 PolarHBondContact O-N 3.22Å; L134-I137 PolarHBondContact O-N 2.87Å; L134-I137 VanDerWaalsContact O-N 3.09Å; I137-A139 VanDerWaalsContact C-N 3.28Å; I137-A139 PolarHBondContact O-N 2.94Å; I137-Y140 PolarHBondContact O-N 2.98Å; I137-E141 HydrophobicContact CG2-CG 4.34Å; I137-E141 WeakPolarHBondContact CG2-OE1 3.27Å; I137-E141 PolarHBondContact O-N 3.25Å; I137-V157 HydrophobicContact CD1-CB 4.25Å; I137-V157 HydrophobicContact CD1-CG1 3.78Å; I137-V157 HydrophobicContact CG1-CG1 4.33Å; I137-V157 HydrophobicContact CG1-CG2 4.38Å; I137-Y198 HydrophobicContact CG2-CE1 4.2Å; I137-I199 HydrophobicContact CD1-CB 4.34Å; I137-I199 HydrophobicContact CD1-CD1 3.95Å; I137-I199 HydrophobicContact CD1-CG1 3.64Å; I137-I199 HydrophobicContact CD1-CG2 3.94Å; I137-Y202 HydrophobicContact CG2-CD2 4.43Å; I137-Y202 HydrophobicContact CG2-CE2 3.91Å
138F91.7Very high85.9Confident26 Ų2625.6 Ų25.611%0.11412%0.122CC..Hα-helixtrans-62-33.1177.6-60.5-30.1000112.9F102 L134 Y140 E141 Q142 Y198 W239 L240 H243F102-F138 HydrophobicContact CE1-CB 3.75Å; F102-F138 HydrophobicContact CZ-CB 4.41Å; L134-F138 HydrophobicContact CB-CD2 4.28Å; L134-F138 HydrophobicContact CB-CE2 3.8Å; L134-F138 HydrophobicContact CB-CZ 4.18Å; L134-F138 HydrophobicContact CD2-CE1 4.4Å; L134-F138 HydrophobicContact CD2-CE2 4.38Å; L134-F138 HydrophobicContact CD2-CZ 3.89Å; L134-F138 HydrophobicContact CG-CE2 4.48Å; L134-F138 HydrophobicContact CG-CZ 4.44Å; L134-F138 VanDerWaalsContact O-CD2 3.32Å; L134-F138 WeakPolarHBondContact O-CD2 3.37Å; L134-F138 VanDerWaalsContact O-CG 3.27Å; L134-F138 WeakPolarHBondContact O-CG 3.24Å; L134-F138 PolarHBondContact O-N 3.24Å; F138-Y140 VanDerWaalsContact C-N 3.27Å; F138-Y140 PolarHBondContact O-N 2.93Å; F138-E141 PolarHBondContact O-N 3.26Å; F138-Q142 PolarHBondContact O-N 2.98Å; F138-Q142 VanDerWaalsContact O-N 3.09Å; F138-Y198 AromaticContact CE1-CE1 3.92Å; F138-Y198 HydrophobicContact CE1-CE1 3.92Å; F138-W239 HydrophobicContact CE1-CH2 4.46Å; F138-W239 AromaticContact CE2-CH2 3.8Å; F138-W239 HydrophobicContact CE2-CH2 3.8Å; F138-W239 AromaticContact CZ-CH2 3.6Å; F138-W239 HydrophobicContact CZ-CH2 3.6Å; F138-W239 HydrophobicContact CZ-CZ2 4.38Å; F138-W239 HydrophobicContact CZ-CZ3 4.43Å; F138-L240 HydrophobicContact CZ-CD1 4.31Å; F138-H243 AromaticContact CE1-CD2 3.99Å; F138-H243 AromaticContact CE1-NE2 3.9Å
139A89Confident84.9Confident5 Ų527.2 Ų27.24%0.04113%0.131CC..Hα-helixtrans-57.9-39.8172.900000112.4F102 S135 K136 I137 N143F102-A139 HydrophobicContact CB-CB 3.62Å; F102-A139 HydrophobicContact CD1-CB 3.9Å; F102-A139 HydrophobicContact CD2-CB 3.79Å; F102-A139 HydrophobicContact CE2-CB 4.41Å; F102-A139 HydrophobicContact CG-CB 3.49Å; F102-A139 VanDerWaalsContact CG-CB 3.49Å; S135-A139 WeakPolarHBondContact O-CB 3.46Å; S135-A139 PolarHBondContact O-N 3.33Å; S135-A139 VanDerWaalsContact O-N 3.14Å; K136-A139 WeakPolarHBondContact O-CB 3.32Å; K136-A139 PolarHBondContact O-N 3.26Å; I137-A139 VanDerWaalsContact C-N 3.28Å; I137-A139 PolarHBondContact O-N 2.94Å; A139-N143 WeakPolarHBondContact O-CB 3.44Å; A139-N143 PolarHBondContact O-N 2.94Å; A139-N143 VanDerWaalsContact O-N 3.11Å; A139-N143 PolarHBondContact O-ND2 3.49Å
140Y86Confident84Confident61 Ų6127 Ų2724%0.23913%0.13CC..Hα-helixtrans-84.3-30.6178.7-68.6-78.1000113.2K136 I137 F138 Q142 N143 A144 I153 Y574K136-Y140 WeakPolarHBondContact O-CD2 3.46Å; K136-Y140 PolarHBondContact O-N 3.1Å; I137-Y140 PolarHBondContact O-N 2.98Å; F138-Y140 VanDerWaalsContact C-N 3.27Å; F138-Y140 PolarHBondContact O-N 2.93Å; Y140-Q142 PolarHBondContact O-N 3.46Å; Y140-N143 PolarHBondContact O-N 3.11Å; Y140-A144 WeakPolarHBondContact O-CA 3.47Å; Y140-A144 WeakPolarHBondContact O-CB 3.47Å; Y140-A144 PolarHBondContact O-N 2.92Å; Y140-I153 HydrophobicContact CD1-CD1 3.46Å; Y140-I153 VanDerWaalsContact CD1-CD1 3.46Å; Y140-I153 HydrophobicContact CD2-CB 4.36Å; Y140-I153 HydrophobicContact CD2-CD1 3.69Å; Y140-I153 HydrophobicContact CD2-CG1 4.27Å; Y140-I153 HydrophobicContact CD2-CG2 3.68Å; Y140-I153 HydrophobicContact CE1-CD1 3.45Å; Y140-I153 VanDerWaalsContact CE1-CD1 3.45Å; Y140-I153 HydrophobicContact CE1-CG1 4.48Å; Y140-I153 HydrophobicContact CE2-CB 4.44Å; Y140-I153 HydrophobicContact CE2-CD1 3.68Å; Y140-I153 HydrophobicContact CE2-CG1 4.03Å; Y140-I153 HydrophobicContact CE2-CG2 3.72Å; Y140-I153 HydrophobicContact CG-CD1 3.57Å; Y140-Y574 HydrophobicContact CE1-CE2 4.2Å
141E87.1Confident83.3Confident15 Ų1531.6 Ų31.67%0.0715%0.15CC..Hα-helixtrans-59.3-32.1169.2-70.8176.3-163.600112.7I137 F138 Y198 Y202 H243I137-E141 HydrophobicContact CG2-CG 4.34Å; I137-E141 WeakPolarHBondContact CG2-OE1 3.27Å; I137-E141 PolarHBondContact O-N 3.25Å; F138-E141 PolarHBondContact O-N 3.26Å; E141-Y198 WeakPolarHBondContact OE1-CE1 3.48Å; E141-Y198 PolarHBondContact OE1-OH 3.26Å; E141-Y202 WeakPolarHBondContact CG-OH 3.03Å; E141-Y202 WeakPolarHBondContact OE1-CE2 3.29Å; E141-H243 IonicContact OE1-NE2 3.65Å; E141-H243 IonicContact OE2-CD2 3.46Å; E141-H243 IonicContact OE2-CE1 3.61Å; E141-H243 PolarHBondContact OE2-CE1 3.07Å; E141-H243 IonicContact OE2-NE2 3.93Å; E141-H243 PolarHBondContact OE2-NE2 3.49Å
142Q82.6Confident82.7Confident29 Ų2934.7 Ų34.714%0.13617%0.172CC..Hα-helixtrans-81.2-40.2174.5-170.6-172.9-9500112.9N100 F102 F138 Y140 L596 T600N100-Q142 PolarHBondContact ND2-NE2 2.82Å; N100-Q142 PolarHBondContact ND2-OE1 3.35Å; N100-Q142 PolarHBondContact OD1-OE1 3.07Å; F102-Q142 HydrophobicContact CE2-CB 4.44Å; F138-Q142 PolarHBondContact O-N 2.98Å; F138-Q142 VanDerWaalsContact O-N 3.09Å; Y140-Q142 PolarHBondContact O-N 3.46Å; Q142-L596 HydrophobicContact CG-CD2 3.69Å; Q142-T600 HydrophobicContact CG-CG2 4.46Å; Q142-T600 WeakPolarHBondContact O-CG2 3.37Å; Q142-T600 PolarHBondContact O-OG1 2.86Å
143N77.4Confident82Confident43 Ų4332.9 Ų32.923%0.2317%0.167CC..Hα-helixtrans-99.8-6-168-61.4-29.3000114.2A139 Y140 P597A139-N143 WeakPolarHBondContact O-CB 3.44Å; A139-N143 PolarHBondContact O-N 2.94Å; A139-N143 VanDerWaalsContact O-N 3.11Å; A139-N143 PolarHBondContact O-ND2 3.49Å; Y140-N143 PolarHBondContact O-N 3.11Å; N143-P597 VanDerWaalsContact OD1-CD 3.26Å; N143-P597 WeakPolarHBondContact OD1-CD 3.47Å; N143-P597 WeakPolarHBondContact OD1-CG 3.34Å
144A69.6Low81.7Confident4 Ų435.3 Ų35.33%0.03318%0.176CC..  trans-136.3121.9-179.800000113.7Y140 T149 V150 F573 Y574Y140-A144 WeakPolarHBondContact O-CA 3.47Å; Y140-A144 WeakPolarHBondContact O-CB 3.47Å; Y140-A144 PolarHBondContact O-N 2.92Å; A144-T149 HydrophobicContact CB-CG2 4.32Å; A144-V150 HydrophobicContact CB-CG2 4.37Å; A144-F573 VanDerWaalsContact CA-O 3.26Å; A144-F573 WeakPolarHBondContact CA-O 3.42Å; A144-Y574 HydrophobicContact CB-CD2 4.37Å
145S64.1Low81.4Confident7 Ų737.4 Ų37.45%0.04920%0.195CC..  trans-89.4-1.9170.769.90000113.9Y147 F573S145-Y147 PolarHBondContact O-N 3.46Å; S145-F573 PolarHBondContact N-O 3.31Å; S145-F573 PolarHBondContact OG-N 3.09Å; S145-F573 VanDerWaalsContact OG-N 3.14Å
146V65.2Low81.2Confident30 Ų3041.8 Ų41.818%0.18222%0.218CC..  trans-83.9109.5-179.8-176.90000110.2D148 T149 V150 G572V146-D148 VanDerWaalsContact C-N 3.27Å; V146-D148 HydrophobicContact CG1-CB 4.47Å; V146-D148 PolarHBondContact O-N 3.28Å; V146-T149 WeakPolarHBondContact CB-OG1 3.35Å; V146-T149 WeakPolarHBondContact CG1-OG1 3.4Å; V146-T149 WeakPolarHBondContact O-CB 3.31Å; V146-T149 PolarHBondContact O-N 3.25Å; V146-T149 VanDerWaalsContact O-N 3.17Å; V146-V150 PolarHBondContact O-N 3.44Å; V146-G572 VanDerWaalsContact CG2-C 3.5Å
147Y69.1Low81.1Confident82 Ų8240.5 Ų40.532%0.32221%0.214SC..Hα-helixtrans-52.6-41.2179.6-178.3-118.7000113.4S145 V150 K151 C203 P612S145-Y147 PolarHBondContact O-N 3.46Å; Y147-V150 PolarHBondContact O-N 2.83Å; Y147-K151 HydrophobicContact CD1-CD 4.26Å; Y147-K151 HydrophobicContact CE1-CD 4.02Å; Y147-K151 VanDerWaalsContact CE1-NZ 3.33Å; Y147-K151 VanDerWaalsContact CZ-CE 3.47Å; Y147-K151 PolarHBondContact O-N 3.35Å; Y147-C203 HydrophobicContact CE2-CB 4.06Å; Y147-P612 HydrophobicContact CD2-CB 4.37Å
148D72.6Confident81.1Confident107 Ų10741.8 Ų41.857%0.57222%0.22SC*.Hα-helixtrans-73.8-30.6-177.3-53.6-56000112.8V146 K151 S152V146-D148 VanDerWaalsContact C-N 3.27Å; V146-D148 HydrophobicContact CG1-CB 4.47Å; V146-D148 PolarHBondContact O-N 3.28Å; D148-K151 PolarHBondContact O-N 2.9Å; D148-S152 PolarHBondContact O-N 2.95Å
149T74.7Confident81.1Confident33 Ų3343 Ų4320%0.20223%0.232CC..Hα-helixtrans-61.8-52.7171.7-59.80000110.1A144 V146 K151 S152 I153 Y574A144-T149 HydrophobicContact CB-CG2 4.32Å; V146-T149 WeakPolarHBondContact CB-OG1 3.35Å; V146-T149 WeakPolarHBondContact CG1-OG1 3.4Å; V146-T149 WeakPolarHBondContact O-CB 3.31Å; V146-T149 PolarHBondContact O-N 3.25Å; V146-T149 VanDerWaalsContact O-N 3.17Å; T149-K151 VanDerWaalsContact C-N 3.28Å; T149-K151 PolarHBondContact O-N 3.46Å; T149-S152 WeakPolarHBondContact O-CB 3.41Å; T149-S152 PolarHBondContact O-N 3.39Å; T149-S152 VanDerWaalsContact O-N 3.1Å; T149-I153 HydrophobicContact CG2-CD1 3.86Å; T149-I153 WeakPolarHBondContact O-CD1 3.47Å; T149-I153 PolarHBondContact O-N 3.19Å; T149-Y574 HydrophobicContact CG2-CD2 4.06Å; T149-Y574 HydrophobicContact CG2-CE2 4.36Å
150V77.6Confident81.2Confident4 Ų445.2 Ų45.22%0.02425%0.245CC..Hα-helixtrans-64.6-34.4-179.3-168.90000111.3A144 V146 Y147 R154 Y202A144-V150 HydrophobicContact CB-CG2 4.37Å; V146-V150 PolarHBondContact O-N 3.44Å; Y147-V150 PolarHBondContact O-N 2.83Å; V150-R154 WeakPolarHBondContact O-CB 3.45Å; V150-R154 PolarHBondContact O-N 3.33Å; V150-Y202 HydrophobicContact CG1-CE1 3.74Å; V150-Y202 WeakPolarHBondContact CG1-OH 3.47Å
151K80.7Confident81.4Confident96 Ų9642.6 Ų42.642%0.41724%0.235SC..Hα-helixtrans-59.7-43.9170.5-88.1-178.5166.2-179.10113.7Y147 D148 T149 R154 A155Y147-K151 HydrophobicContact CD1-CD 4.26Å; Y147-K151 HydrophobicContact CE1-CD 4.02Å; Y147-K151 VanDerWaalsContact CE1-NZ 3.33Å; Y147-K151 VanDerWaalsContact CZ-CE 3.47Å; Y147-K151 PolarHBondContact O-N 3.35Å; D148-K151 PolarHBondContact O-N 2.9Å; T149-K151 VanDerWaalsContact C-N 3.28Å; T149-K151 PolarHBondContact O-N 3.46Å; K151-R154 PolarHBondContact O-N 3.37Å; K151-A155 PolarHBondContact O-N 3.13Å; K151-A155 VanDerWaalsContact O-N 3.11Å
152S83.6Confident81.5Confident71 Ų7147.5 Ų47.550%0.49726%0.258SS..Hα-helixtrans-60.2-54.2179.1-167.90000110.5D148 T149 R154 A155 D156D148-S152 PolarHBondContact O-N 2.95Å; T149-S152 WeakPolarHBondContact O-CB 3.41Å; T149-S152 PolarHBondContact O-N 3.39Å; T149-S152 VanDerWaalsContact O-N 3.1Å; S152-R154 VanDerWaalsContact C-N 3.26Å; S152-R154 PolarHBondContact O-N 2.97Å; S152-A155 WeakPolarHBondContact O-CA 3.32Å; S152-A155 VanDerWaalsContact O-CB 3.29Å; S152-A155 WeakPolarHBondContact O-CB 3.5Å; S152-A155 PolarHBondContact O-N 2.9Å; S152-D156 PolarHBondContact O-N 2.91Å; S152-D156 VanDerWaalsContact O-N 3.12Å
153I83.4Confident81.9Confident24 Ų2452.6 Ų52.612%0.12329%0.286CS..Hα-helixtrans-62.8-35.3-179.3-69142.7000111.6Y140 T149 A155 D156 V157Y140-I153 HydrophobicContact CD1-CD1 3.46Å; Y140-I153 VanDerWaalsContact CD1-CD1 3.46Å; Y140-I153 HydrophobicContact CD2-CB 4.36Å; Y140-I153 HydrophobicContact CD2-CD1 3.69Å; Y140-I153 HydrophobicContact CD2-CG1 4.27Å; Y140-I153 HydrophobicContact CD2-CG2 3.68Å; Y140-I153 HydrophobicContact CE1-CD1 3.45Å; Y140-I153 VanDerWaalsContact CE1-CD1 3.45Å; Y140-I153 HydrophobicContact CE1-CG1 4.48Å; Y140-I153 HydrophobicContact CE2-CB 4.44Å; Y140-I153 HydrophobicContact CE2-CD1 3.68Å; Y140-I153 HydrophobicContact CE2-CG1 4.03Å; Y140-I153 HydrophobicContact CE2-CG2 3.72Å; Y140-I153 HydrophobicContact CG-CD1 3.57Å; T149-I153 HydrophobicContact CG2-CD1 3.86Å; T149-I153 WeakPolarHBondContact O-CD1 3.47Å; T149-I153 PolarHBondContact O-N 3.19Å; I153-A155 VanDerWaalsContact C-N 3.26Å; I153-A155 PolarHBondContact O-N 3.37Å; I153-D156 WeakPolarHBondContact CA-OD2 3.47Å; I153-D156 PolarHBondContact O-N 2.98Å; I153-V157 HydrophobicContact CG2-CG2 4.13Å; I153-V157 WeakPolarHBondContact O-CB 3.39Å; I153-V157 VanDerWaalsContact O-CG2 3.29Å; I153-V157 WeakPolarHBondContact O-CG2 3.41Å; I153-V157 PolarHBondContact O-N 3.39Å
154R88Confident82.5Confident51 Ų5151.8 Ų51.819%0.19228%0.284CS..Hα-helixtrans-66.3-25.8174176.4-93.1176.3177.5-0.6112.6V150 K151 S152 L158 I199 E200 Y202V150-R154 WeakPolarHBondContact O-CB 3.45Å; V150-R154 PolarHBondContact O-N 3.33Å; K151-R154 PolarHBondContact O-N 3.37Å; S152-R154 VanDerWaalsContact C-N 3.26Å; S152-R154 PolarHBondContact O-N 2.97Å; R154-L158 WeakPolarHBondContact O-CB 3.47Å; R154-L158 PolarHBondContact O-N 3.09Å; R154-L158 VanDerWaalsContact O-N 3.08Å; R154-I199 PolarHBondContact NE-O 3.39Å; R154-I199 PolarHBondContact NH2-O 3.27Å; R154-E200 PolarHBondContact NH2-O 3.24Å; R154-Y202 HydrophobicContact CB-CD1 4.46Å; R154-Y202 HydrophobicContact CG-CD1 4.07Å; R154-Y202 HydrophobicContact CG-CG 3.92Å
155A89Confident83.4Confident56 Ų5654.1 Ų54.146%0.46330%0.296SS..Hα-helixtrans-73.2-44.2169.500000111.3K151 S152 I153 V157 L158 S159K151-A155 PolarHBondContact O-N 3.13Å; K151-A155 VanDerWaalsContact O-N 3.11Å; S152-A155 WeakPolarHBondContact O-CA 3.32Å; S152-A155 VanDerWaalsContact O-CB 3.29Å; S152-A155 WeakPolarHBondContact O-CB 3.5Å; S152-A155 PolarHBondContact O-N 2.9Å; I153-A155 VanDerWaalsContact C-N 3.26Å; I153-A155 PolarHBondContact O-N 3.37Å; A155-V157 PolarHBondContact O-N 3.48Å; A155-L158 PolarHBondContact O-N 2.93Å; A155-S159 PolarHBondContact O-N 3.26Å
156D89.2Confident84.6Confident93 Ų9361.7 Ų61.750%0.49733%0.33SS..Hα-helixtrans-58.2-49.9176-55.1-41.3000110.9S152 I153 L158 S159 V160S152-D156 PolarHBondContact O-N 2.91Å; S152-D156 VanDerWaalsContact O-N 3.12Å; I153-D156 WeakPolarHBondContact CA-OD2 3.47Å; I153-D156 PolarHBondContact O-N 2.98Å; D156-L158 PolarHBondContact O-N 2.86Å; D156-S159 WeakPolarHBondContact O-CB 3.17Å; D156-S159 PolarHBondContact O-N 3.48Å; D156-S159 PolarHBondContact O-OG 3.32Å; D156-V160 PolarHBondContact O-N 3.39Å
157V90.3Very high85.9Confident13 Ų1361.6 Ų61.68%0.07933%0.329CS..Hα-helixtrans-64.9-36.1178172.60000112.3C133 K136 I137 I153 A155 S159 V160 L161 I199C133-V157 HydrophobicContact CB-CG1 3.47Å; C133-V157 VanDerWaalsContact CB-CG1 3.47Å; K136-V157 HydrophobicContact CB-CG2 4.36Å; I137-V157 HydrophobicContact CD1-CB 4.25Å; I137-V157 HydrophobicContact CD1-CG1 3.78Å; I137-V157 HydrophobicContact CG1-CG1 4.33Å; I137-V157 HydrophobicContact CG1-CG2 4.38Å; I153-V157 HydrophobicContact CG2-CG2 4.13Å; I153-V157 WeakPolarHBondContact O-CB 3.39Å; I153-V157 VanDerWaalsContact O-CG2 3.29Å; I153-V157 WeakPolarHBondContact O-CG2 3.41Å; I153-V157 PolarHBondContact O-N 3.39Å; A155-V157 PolarHBondContact O-N 3.48Å; V157-S159 VanDerWaalsContact C-N 3.34Å; V157-V160 PolarHBondContact O-N 3.22Å; V157-L161 PolarHBondContact O-N 3.03Å; V157-I199 HydrophobicContact CG1-CD1 4.4Å; V157-I199 HydrophobicContact CG1-CG2 4.29Å
158L92Very high87Confident28 Ų2858 Ų5815%0.14732%0.315CS..Hα-helixtrans-65.8-36.8175-179.661.2000111.7R154 A155 D156 V160 L161 Q162 E200R154-L158 WeakPolarHBondContact O-CB 3.47Å; R154-L158 PolarHBondContact O-N 3.09Å; R154-L158 VanDerWaalsContact O-N 3.08Å; A155-L158 PolarHBondContact O-N 2.93Å; D156-L158 PolarHBondContact O-N 2.86Å; L158-V160 VanDerWaalsContact C-N 3.31Å; L158-V160 PolarHBondContact O-N 3.15Å; L158-L161 PolarHBondContact O-N 3.07Å; L158-Q162 HydrophobicContact CD1-CG 4.31Å; L158-Q162 HydrophobicContact CG-CG 4.41Å; L158-Q162 WeakPolarHBondContact O-CB 3.41Å; L158-Q162 WeakPolarHBondContact O-CG 3.32Å; L158-Q162 PolarHBondContact O-N 3.46Å; L158-E200 HydrophobicContact CD1-CG 3.88Å
159S92.3Very high87.8Confident51 Ų5157 Ų5736%0.35731%0.306SS..Hα-helixtrans-62.6-37.6174.979.80000112.3A155 D156 V157 L161 Q162 N163A155-S159 PolarHBondContact O-N 3.26Å; D156-S159 WeakPolarHBondContact O-CB 3.17Å; D156-S159 PolarHBondContact O-N 3.48Å; D156-S159 PolarHBondContact O-OG 3.32Å; V157-S159 VanDerWaalsContact C-N 3.34Å; S159-L161 PolarHBondContact O-N 3.17Å; S159-Q162 PolarHBondContact O-N 3.45Å; S159-N163 WeakPolarHBondContact O-CB 3.37Å; S159-N163 PolarHBondContact O-N 2.72Å; S159-N163 PolarHBondContact O-ND2 2.9Å
160V90.8Very high88.6Confident51 Ų5157.9 Ų57.931%0.30931%0.314SS..Hα-helixtrans-64-40.7176.1174.40000111.7L129 D156 V157 L158 S164L129-V160 HydrophobicContact CD1-CG1 4.05Å; D156-V160 PolarHBondContact O-N 3.39Å; V157-V160 PolarHBondContact O-N 3.22Å; L158-V160 VanDerWaalsContact C-N 3.31Å; L158-V160 PolarHBondContact O-N 3.15Å; V160-S164 PolarHBondContact O-OG 3.08Å
161L89.8Confident89.2Confident7 Ų757.9 Ų57.94%0.03731%0.314CS..Hα-helixtrans-66.2-46174.6-68.6174.1000111.8L129 C133 V157 L158 S159 N163 S164 N165 F168 I199L129-L161 HydrophobicContact CG-CD2 4.35Å; C133-L161 HydrophobicContact CB-CD2 4.2Å; C133-L161 HydrophobicContact CB-CG 4.41Å; C133-L161 VanDerWaalsContact SG-CD2 3.59Å; V157-L161 PolarHBondContact O-N 3.03Å; L158-L161 PolarHBondContact O-N 3.07Å; S159-L161 PolarHBondContact O-N 3.17Å; L161-N163 VanDerWaalsContact C-N 3.33Å; L161-N163 PolarHBondContact O-N 2.75Å; L161-S164 CarbonylContact O-C 3.03Å; L161-S164 PolarHBondContact O-N 3Å; L161-N165 PolarHBondContact O-N 3.47Å; L161-F168 HydrophobicContact CB-CE2 4.45Å; L161-F168 HydrophobicContact CD2-CE2 3.8Å; L161-F168 HydrophobicContact CD2-CZ 3.57Å; L161-I199 HydrophobicContact CD1-CB 4.03Å; L161-I199 HydrophobicContact CD1-CD1 3.87Å; L161-I199 HydrophobicContact CD1-CG2 3.73Å
162Q90.1Very high89.6Confident117 Ų11756.9 Ų56.955%0.54731%0.311SS..Hα-helixtrans-62.3-38.8-179.2-74.2174.7-23.600112.2L158 S159 S164 N165L158-Q162 HydrophobicContact CD1-CG 4.31Å; L158-Q162 HydrophobicContact CG-CG 4.41Å; L158-Q162 WeakPolarHBondContact O-CB 3.41Å; L158-Q162 WeakPolarHBondContact O-CG 3.32Å; L158-Q162 PolarHBondContact O-N 3.46Å; S159-Q162 PolarHBondContact O-N 3.45Å; Q162-S164 PolarHBondContact O-N 3.15Å; Q162-S164 VanDerWaalsContact O-N 3.1Å; Q162-N165 PolarHBondContact O-N 2.85Å
163N90.9Very high89.9Confident137 Ų13758 Ų5873%0.73331%0.308SS*.THydrogen-bonded Turntrans-64.9-9.1174.4-69.4-19.9000114.1S159 L161S159-N163 WeakPolarHBondContact O-CB 3.37Å; S159-N163 PolarHBondContact O-N 2.72Å; S159-N163 PolarHBondContact O-ND2 2.9Å; L161-N163 VanDerWaalsContact C-N 3.33Å; L161-N163 PolarHBondContact O-N 2.75Å
164S88.6Confident90.1Very high25 Ų2557.1 Ų57.118%0.17530%0.304CS..THydrogen-bonded Turntrans-121.519.5-178.7-500000113L129 V160 L161 Q162 E166 I167 F168L129-S164 VanDerWaalsContact CD2-CB 3.45Å; L129-S164 WeakPolarHBondContact CD2-OG 3.45Å; V160-S164 PolarHBondContact O-OG 3.08Å; L161-S164 CarbonylContact O-C 3.03Å; L161-S164 PolarHBondContact O-N 3Å; Q162-S164 PolarHBondContact O-N 3.15Å; Q162-S164 VanDerWaalsContact O-N 3.1Å; S164-E166 VanDerWaalsContact C-N 3.27Å; S164-E166 PolarHBondContact O-N 3.27Å; S164-I167 PolarHBondContact O-N 3.3Å; S164-I167 VanDerWaalsContact O-N 3.13Å; S164-F168 WeakPolarHBondContact O-CD2 3.49Å
165N89.4Confident90.1Very high53 Ų5355.3 Ų55.328%0.28330%0.299SS..Hα-helixtrans-58.6-33.7-169.1-16178000113.8L161 Q162 I167 F168 E169 R196L161-N165 PolarHBondContact O-N 3.47Å; Q162-N165 PolarHBondContact O-N 2.85Å; N165-I167 PolarHBondContact O-N 2.98Å; N165-F168 WeakPolarHBondContact O-CA 3.35Å; N165-F168 WeakPolarHBondContact O-CB 3.38Å; N165-F168 PolarHBondContact O-N 3.28Å; N165-E169 VanDerWaalsContact ND2-CG 3.32Å; N165-E169 WeakPolarHBondContact ND2-CG 3.42Å; N165-E169 PolarHBondContact ND2-OE1 2.81Å; N165-E169 WeakPolarHBondContact O-CG 3.47Å; N165-E169 PolarHBondContact O-N 2.96Å; N165-E169 PolarHBondContact OD1-OE1 3.5Å; N165-R196 PolarHBondContact OD1-NH1 3.23Å; N165-R196 PolarHBondContact OD1-NH2 3.05Å
166E89.9Confident89.9Confident166 Ų16658.4 Ų58.478%0.77631%0.307SS*.Hα-helixtrans-54.4-37.7177.5-60.1-178.4172.400113.4S164 S170S164-E166 VanDerWaalsContact C-N 3.27Å; S164-E166 PolarHBondContact O-N 3.27Å; E166-S170 WeakPolarHBondContact O-CB 3.4Å; E166-S170 PolarHBondContact O-N 3.21Å; E166-S170 PolarHBondContact O-OG 3.29Å
167I91.6Very high89.8Confident29 Ų2957 Ų5715%0.14930%0.302CS..Hα-helixtrans-70.6-36.1178.3-51.6-179.9000110.2F113 F122 A125 S164 N165 T171F113-I167 HydrophobicContact CE2-CD1 3.92Å; F113-I167 HydrophobicContact CZ-CD1 4.2Å; F122-I167 HydrophobicContact CB-CG2 4.01Å; F122-I167 VanDerWaalsContact O-CG2 3.29Å; F122-I167 WeakPolarHBondContact O-CG2 3.4Å; A125-I167 HydrophobicContact CB-CG2 4.14Å; S164-I167 PolarHBondContact O-N 3.3Å; S164-I167 VanDerWaalsContact O-N 3.13Å; N165-I167 PolarHBondContact O-N 2.98Å; I167-T171 PolarHBondContact O-N 3.18Å; I167-T171 VanDerWaalsContact O-N 3.1Å; I167-T171 PolarHBondContact O-OG1 2.85Å
168F91.7Very high89.3Confident7 Ų758.6 Ų58.63%0.03132%0.321CS..Hα-helixtrans-72.6-39.9177-66.2-64.6000112.6L129 T130 L161 S164 N165 S170 T171 H172 V192L129-F168 HydrophobicContact CB-CZ 4.32Å; L129-F168 HydrophobicContact CD2-CE2 3.84Å; L129-F168 HydrophobicContact CD2-CZ 3.78Å; L129-F168 HydrophobicContact CG-CZ 4.16Å; T130-F168 WeakPolarHBondContact OG1-CE1 3.36Å; L161-F168 HydrophobicContact CB-CE2 4.45Å; L161-F168 HydrophobicContact CD2-CE2 3.8Å; L161-F168 HydrophobicContact CD2-CZ 3.57Å; S164-F168 WeakPolarHBondContact O-CD2 3.49Å; N165-F168 WeakPolarHBondContact O-CA 3.35Å; N165-F168 WeakPolarHBondContact O-CB 3.38Å; N165-F168 PolarHBondContact O-N 3.28Å; F168-S170 VanDerWaalsContact C-N 3.34Å; F168-T171 PolarHBondContact O-N 2.81Å; F168-H172 PolarHBondContact O-N 3.42Å; F168-V192 HydrophobicContact CD1-CG1 3.63Å; F168-V192 HydrophobicContact CE1-CG1 3.83Å
169E91Very high88.8Confident85 Ų8564.7 Ų64.740%0.39734%0.342SS..Hα-helixtrans-64.5-39.6173.1-57.1-44.2133.900111.3N165 T171 H172 E173 R196N165-E169 VanDerWaalsContact ND2-CG 3.32Å; N165-E169 WeakPolarHBondContact ND2-CG 3.42Å; N165-E169 PolarHBondContact ND2-OE1 2.81Å; N165-E169 WeakPolarHBondContact O-CG 3.47Å; N165-E169 PolarHBondContact O-N 2.96Å; N165-E169 PolarHBondContact OD1-OE1 3.5Å; E169-T171 VanDerWaalsContact C-N 3.34Å; E169-T171 PolarHBondContact O-N 3.36Å; E169-H172 WeakPolarHBondContact O-CB 3.43Å; E169-H172 PolarHBondContact O-N 2.95Å; E169-H172 VanDerWaalsContact O-N 3.1Å; E169-E173 PolarHBondContact O-N 2.89Å; E169-R196 IonicContact OE1-NH1 3.42Å; E169-R196 PolarHBondContact OE1-NH1 3.09Å
170S91.1Very high88.5Confident52 Ų5262.9 Ų62.936%0.36433%0.328SS..Hα-helixtrans-59.6-41.9174.2-59.50000112.3F122 E166 F168 A174F122-S170 WeakPolarHBondContact CE2-O 3.19Å; E166-S170 WeakPolarHBondContact O-CB 3.4Å; E166-S170 PolarHBondContact O-N 3.21Å; E166-S170 PolarHBondContact O-OG 3.29Å; F168-S170 VanDerWaalsContact C-N 3.34Å; S170-A174 WeakPolarHBondContact O-CB 3.35Å; S170-A174 PolarHBondContact O-N 3.5Å
171T89.3Confident88Confident4 Ų465.5 Ų65.53%0.02535%0.347CS..Hα-helixtrans-65.7-38.9172.9-72.70000112L123 S126 I167 F168 E169 A174 C175 V192L123-T171 HydrophobicContact CD1-CG2 3.76Å; S126-T171 PolarHBondContact OG-OG1 3.47Å; I167-T171 PolarHBondContact O-N 3.18Å; I167-T171 VanDerWaalsContact O-N 3.1Å; I167-T171 PolarHBondContact O-OG1 2.85Å; F168-T171 PolarHBondContact O-N 2.81Å; E169-T171 VanDerWaalsContact C-N 3.34Å; E169-T171 PolarHBondContact O-N 3.36Å; T171-A174 PolarHBondContact O-N 3.44Å; T171-C175 PolarHBondContact O-N 3.41Å; T171-V192 HydrophobicContact CG2-CG1 4.37Å
172H89.5Confident87.9Confident75 Ų7567 Ų6735%0.34736%0.356SS..Hα-helixtrans-66.8-45.1177.7-166.883.9000111.9F168 E169 A174 C175 L176 Q218F168-H172 PolarHBondContact O-N 3.42Å; E169-H172 WeakPolarHBondContact O-CB 3.43Å; E169-H172 PolarHBondContact O-N 2.95Å; E169-H172 VanDerWaalsContact O-N 3.1Å; H172-A174 PolarHBondContact O-N 3.42Å; H172-C175 WeakPolarHBondContact O-CB 3.49Å; H172-C175 PolarHBondContact O-N 2.88Å; H172-L176 WeakPolarHBondContact O-CG 3.43Å; H172-L176 PolarHBondContact O-N 3.34Å; H172-Q218 PolarHBondContact CE1-NE2 3.49Å; H172-Q218 VanDerWaalsContact CE1-NE2 3.33Å; H172-Q218 PolarHBondContact ND1-NE2 3.06Å
173E90.6Very high87.8Confident95 Ų9564.6 Ų64.644%0.44435%0.35SS..Hα-helixtrans-60.2-45.2173.9-165.1-151.7137.600111E169 C175 L176 T177 R179E169-E173 PolarHBondContact O-N 2.89Å; E173-C175 PolarHBondContact O-N 3.23Å; E173-L176 PolarHBondContact O-N 3.31Å; E173-T177 HydrophobicContact CG-CG2 4.06Å; E173-T177 WeakPolarHBondContact O-CB 3.25Å; E173-T177 WeakPolarHBondContact O-CG2 3.48Å; E173-T177 PolarHBondContact O-N 2.89Å; E173-T177 PolarHBondContact O-OG1 3.32Å; E173-R179 IonicContact OE1-CZ 2.96Å; E173-R179 VanDerWaalsContact OE1-CZ 3.22Å; E173-R179 IonicContact OE1-NH1 3.22Å; E173-R179 PolarHBondContact OE1-NH1 3.38Å; E173-R179 IonicContact OE1-NH2 3.26Å; E173-R179 PolarHBondContact OE1-NH2 3.3Å
174A87.9Confident87.8Confident4 Ų459.8 Ų59.83%0.03332%0.323CS..Hα-helixtrans-62.1-31.5178.400000113.2F122 S170 T171 H172 R179 L180F122-A174 HydrophobicContact CE2-CB 3.62Å; F122-A174 HydrophobicContact CZ-CB 3.89Å; S170-A174 WeakPolarHBondContact O-CB 3.35Å; S170-A174 PolarHBondContact O-N 3.5Å; T171-A174 PolarHBondContact O-N 3.44Å; H172-A174 PolarHBondContact O-N 3.42Å; A174-R179 HydrophobicContact CB-CB 4.49Å; A174-R179 PolarHBondContact O-N 2.97Å; A174-L180 HydrophobicContact CB-CD2 4.3Å
175C86.7Confident88Confident14 Ų1458.8 Ų58.810%0.09532%0.317CS..Hα-helixtrans-69.3-54.4171.6-176.60000111.3T171 H172 E173 T177 G178 L180 Q218 Y219T171-C175 PolarHBondContact O-N 3.41Å; H172-C175 WeakPolarHBondContact O-CB 3.49Å; H172-C175 PolarHBondContact O-N 2.88Å; E173-C175 PolarHBondContact O-N 3.23Å; C175-T177 VanDerWaalsContact C-N 3.28Å; C175-T177 PolarHBondContact O-N 2.92Å; C175-G178 PolarHBondContact O-N 3.33Å; C175-G178 VanDerWaalsContact O-N 3.11Å; C175-L180 HydrophobicContact CB-CD1 4.14Å; C175-Q218 PolarHBondContact SG-NE2 3.47Å; C175-Y219 VanDerWaalsContact SG-CE1 3.56Å
176L85.4Confident88.2Confident120 Ų12059.2 Ų59.263%0.62832%0.315SS*.Hα-helixtrans-62.3-32.3-179.1-68-179.4000113.6H172 E173 G178H172-L176 WeakPolarHBondContact O-CG 3.43Å; H172-L176 PolarHBondContact O-N 3.34Å; E173-L176 PolarHBondContact O-N 3.31Å; L176-G178 VanDerWaalsContact C-N 3.31Å
177T86.9Confident88.4Confident64 Ų6451.3 Ų51.339%0.39328%0.278SS..THydrogen-bonded Turntrans-874.5178.955.90000113.6E173 C175 R179E173-T177 HydrophobicContact CG-CG2 4.06Å; E173-T177 WeakPolarHBondContact O-CB 3.25Å; E173-T177 WeakPolarHBondContact O-CG2 3.48Å; E173-T177 PolarHBondContact O-N 2.89Å; E173-T177 PolarHBondContact O-OG1 3.32Å; C175-T177 VanDerWaalsContact C-N 3.28Å; C175-T177 PolarHBondContact O-N 2.92Å; T177-R179 PolarHBondContact O-N 2.94Å; T177-R179 VanDerWaalsContact OG1-CD 3.29Å; T177-R179 WeakPolarHBondContact OG1-CD 2.98Å; T177-R179 VanDerWaalsContact OG1-CG 3.31Å; T177-R179 WeakPolarHBondContact OG1-CG 3.35Å; T177-R179 PolarHBondContact OG1-NE 3.27Å
178G79.4Confident88.6Confident46 Ų4650.3 Ų50.347%0.47427%0.272SS..THydrogen-bonded Turntrans66.415.4178.500000114.8C175 L176 L180C175-G178 PolarHBondContact O-N 3.33Å; C175-G178 VanDerWaalsContact O-N 3.11Å; L176-G178 VanDerWaalsContact C-N 3.31Å; G178-L180 PolarHBondContact O-N 3.25Å
179R81.5Confident88.8Confident156 Ų15650 Ų5059%0.58927%0.271SS*.  trans-76.92.9-173.7-66.5177.7-167.7148.410.7114.2E173 A174 T177 P181E173-R179 IonicContact OE1-CZ 2.96Å; E173-R179 VanDerWaalsContact OE1-CZ 3.22Å; E173-R179 IonicContact OE1-NH1 3.22Å; E173-R179 PolarHBondContact OE1-NH1 3.38Å; E173-R179 IonicContact OE1-NH2 3.26Å; E173-R179 PolarHBondContact OE1-NH2 3.3Å; A174-R179 HydrophobicContact CB-CB 4.49Å; A174-R179 PolarHBondContact O-N 2.97Å; T177-R179 PolarHBondContact O-N 2.94Å; T177-R179 VanDerWaalsContact OG1-CD 3.29Å; T177-R179 WeakPolarHBondContact OG1-CD 2.98Å; T177-R179 VanDerWaalsContact OG1-CG 3.31Å; T177-R179 WeakPolarHBondContact OG1-CG 3.35Å; T177-R179 PolarHBondContact OG1-NE 3.27Å; R179-P181 WeakPolarHBondContact O-CD 3.26Å
180L85.9Confident88.9Confident13 Ų1345.9 Ų45.97%0.06825%0.252CS..  trans-77.2112.1-177.6-62.5179000111.3L123 A174 C175 G178 T182 A185 Y186L123-L180 HydrophobicContact CD2-CD2 3.95Å; A174-L180 HydrophobicContact CB-CD2 4.3Å; C175-L180 HydrophobicContact CB-CD1 4.14Å; G178-L180 PolarHBondContact O-N 3.25Å; L180-T182 PolarHBondContact O-N 3.17Å; L180-A185 HydrophobicContact CB-CB 4.22Å; L180-A185 HydrophobicContact CD2-CB 4.41Å; L180-Y186 HydrophobicContact CB-CD2 3.82Å; L180-Y186 HydrophobicContact CB-CE1 4.34Å; L180-Y186 HydrophobicContact CB-CE2 3.6Å; L180-Y186 HydrophobicContact CB-CG 4.28Å; L180-Y186 HydrophobicContact CD1-CD1 3.76Å; L180-Y186 HydrophobicContact CD1-CD2 4.39Å; L180-Y186 HydrophobicContact CD1-CE1 3.92Å; L180-Y186 HydrophobicContact CD1-CG 4Å; L180-Y186 WeakPolarHBondContact O-CE2 3.2Å
181P80.1Confident89.1Confident107 Ų10744 Ų4470%0.69524%0.238SC*.  trans-84.5-6.2-160.733.1-38.5000115.6R179R179-P181 WeakPolarHBondContact O-CD 3.26Å
182T89Confident89.5Confident39 Ų3944 Ų4424%0.23924%0.239CC..SBendtrans-151.7155.6-177.853.50000111.4R83 L180 H184 A185 Y186R83-T182 PolarHBondContact NH2-OG1 3.42Å; L180-T182 PolarHBondContact O-N 3.17Å; T182-H184 PolarHBondContact O-N 3.39Å; T182-H184 VanDerWaalsContact O-N 3.15Å; T182-A185 WeakPolarHBondContact O-CA 3.47Å; T182-A185 VanDerWaalsContact O-CB 3.3Å; T182-A185 WeakPolarHBondContact O-CB 3.35Å; T182-A185 PolarHBondContact O-N 3.25Å; T182-Y186 PolarHBondContact O-N 2.98Å
183P88.1Confident89.7Confident65 Ų6541.3 Ų41.342%0.42223%0.228SC..Hα-helixtrans-57.6-27.2175.4-27.236000114.8Y186 F187 F222 A229P183-Y186 PolarHBondContact O-N 2.87Å; P183-F187 PolarHBondContact O-N 3.01Å; P183-F222 HydrophobicContact CB-CE2 4.44Å; P183-A229 HydrophobicContact CB-CB 3.74Å; P183-A229 WeakPolarHBondContact O-CB 3.48Å
184H91Very high90Very high36 Ų3637 Ų3717%0.16721%0.208CC..Hα-helixtrans-67.5-35.9171.7-164.472.2000112.2E90 T182 F187 Q188E90-H184 IonicContact OE1-CE1 2.83Å; E90-H184 PolarHBondContact OE1-CE1 2.95Å; E90-H184 IonicContact OE1-NE2 3.27Å; E90-H184 PolarHBondContact OE1-NE2 3.45Å; E90-H184 IonicContact OE2-CE1 2.82Å; E90-H184 IonicContact OE2-NE2 2.74Å; E90-H184 PolarHBondContact OE2-NE2 2.82Å; T182-H184 PolarHBondContact O-N 3.39Å; T182-H184 VanDerWaalsContact O-N 3.15Å; H184-F187 AromaticContact CE1-CD1 3.97Å; H184-F187 AromaticContact ND1-CD1 4Å; H184-F187 WeakPolarHBondContact O-CB 3.23Å; H184-F187 PolarHBondContact O-N 3.19Å; H184-Q188 PolarHBondContact CD2-OE1 2.77Å; H184-Q188 WeakPolarHBondContact O-CG 3.17Å; H184-Q188 PolarHBondContact O-N 3.12Å
185A92.4Very high90.3Very high4 Ų436.9 Ų36.93%0.03321%0.207CC..Hα-helixtrans-66.4-38.1176.200000111.9L123 L180 T182 Q188 S189L123-A185 HydrophobicContact CD2-CB 3.6Å; L180-A185 HydrophobicContact CB-CB 4.22Å; L180-A185 HydrophobicContact CD2-CB 4.41Å; T182-A185 WeakPolarHBondContact O-CA 3.47Å; T182-A185 VanDerWaalsContact O-CB 3.3Å; T182-A185 WeakPolarHBondContact O-CB 3.35Å; T182-A185 PolarHBondContact O-N 3.25Å; A185-Q188 PolarHBondContact O-N 2.81Å; A185-S189 VanDerWaalsContact O-CB 3.31Å; A185-S189 WeakPolarHBondContact O-CB 3.44Å; A185-S189 PolarHBondContact O-N 3.25Å
186Y92.6Very high90.7Very high63 Ų6339.1 Ų39.125%0.24721%0.213CC..Hα-helixtrans-64.2-40.5169.8-79.7-87.6000112.4L180 T182 P183 S189 M190 F222L180-Y186 HydrophobicContact CB-CD2 3.82Å; L180-Y186 HydrophobicContact CB-CE1 4.34Å; L180-Y186 HydrophobicContact CB-CE2 3.6Å; L180-Y186 HydrophobicContact CB-CG 4.28Å; L180-Y186 HydrophobicContact CD1-CD1 3.76Å; L180-Y186 HydrophobicContact CD1-CD2 4.39Å; L180-Y186 HydrophobicContact CD1-CE1 3.92Å; L180-Y186 HydrophobicContact CD1-CG 4Å; L180-Y186 WeakPolarHBondContact O-CE2 3.2Å; T182-Y186 PolarHBondContact O-N 2.98Å; P183-Y186 PolarHBondContact O-N 2.87Å; Y186-S189 PolarHBondContact O-N 3.43Å; Y186-M190 WeakPolarHBondContact O-CB 3.25Å; Y186-M190 PolarHBondContact O-N 2.86Å; Y186-F222 HydrophobicContact CD1-CB 3.96Å; Y186-F222 HydrophobicContact CD1-CD2 4.14Å; Y186-F222 HydrophobicContact CD1-CG 4.04Å; Y186-F222 HydrophobicContact CD2-CD2 4.45Å; Y186-F222 HydrophobicContact CG-CB 4.46Å; Y186-F222 AromaticContact CG-CD2 3.77Å; Y186-F222 HydrophobicContact CG-CD2 3.77Å; Y186-F222 HydrophobicContact CG-CE2 4.16Å; Y186-F222 HydrophobicContact CG-CG 4.11Å
187F94.8Very high91.1Very high0 Ų033.5 Ų33.50%018%0.184CC..Hα-helixtrans-61.5-48.5173.2168.4-101.4000112.2P183 H184 S189 M190 V191 F222 A229 C232 A233 Y236 L363P183-F187 PolarHBondContact O-N 3.01Å; H184-F187 AromaticContact CE1-CD1 3.97Å; H184-F187 AromaticContact ND1-CD1 4Å; H184-F187 WeakPolarHBondContact O-CB 3.23Å; H184-F187 PolarHBondContact O-N 3.19Å; F187-S189 PolarHBondContact O-N 2.88Å; F187-M190 HydrophobicContact CD2-CE 4.27Å; F187-M190 HydrophobicContact CE2-CE 4.47Å; F187-M190 PolarHBondContact O-N 3.41Å; F187-V191 HydrophobicContact CD2-CG2 4.2Å; F187-V191 HydrophobicContact CE1-CG2 4.25Å; F187-V191 HydrophobicContact CE2-CG2 3.75Å; F187-V191 HydrophobicContact CZ-CG2 3.78Å; F187-V191 WeakPolarHBondContact O-CG2 3.4Å; F187-V191 PolarHBondContact O-N 2.92Å; F187-F222 HydrophobicContact CB-CZ 4.31Å; F187-A229 HydrophobicContact CB-CB 4.34Å; F187-C232 HydrophobicContact CE2-CB 4.41Å; F187-A233 HydrophobicContact CD2-CB 4.08Å; F187-Y236 AromaticContact CE2-CD2 3.81Å; F187-Y236 HydrophobicContact CE2-CD2 3.81Å; F187-Y236 HydrophobicContact CE2-CE2 4.36Å; F187-Y236 HydrophobicContact CE2-CG 4.41Å; F187-Y236 HydrophobicContact CZ-CD2 4.1Å; F187-Y236 HydrophobicContact CZ-CE2 4.25Å; F187-L363 HydrophobicContact CE1-CD1 4.1Å; F187-L363 HydrophobicContact CE1-CD2 4.12Å; F187-L363 HydrophobicContact CZ-CD2 4.05Å
188Q95.5Very high91.5Very high7 Ų730.5 Ų30.53%0.03317%0.166CC..Hα-helixtrans-56.2-49.4175.3-71.7172.2-71.100111L123 D124 Y127 H184 A185 M190 V191 V192L123-Q188 HydrophobicContact CD1-CB 4.19Å; L123-Q188 HydrophobicContact CD2-CB 4.42Å; L123-Q188 HydrophobicContact CG-CB 4.28Å; D124-Q188 PolarHBondContact OD1-NE2 3.44Å; Y127-Q188 HydrophobicContact CD1-CG 4.06Å; Y127-Q188 HydrophobicContact CD2-CB 3.85Å; Y127-Q188 HydrophobicContact CD2-CG 3.99Å; Y127-Q188 HydrophobicContact CE1-CG 4.15Å; Y127-Q188 HydrophobicContact CE2-CB 4.3Å; Y127-Q188 HydrophobicContact CE2-CG 4.1Å; Y127-Q188 HydrophobicContact CG-CB 4.01Å; Y127-Q188 HydrophobicContact CG-CG 3.95Å; H184-Q188 PolarHBondContact CD2-OE1 2.77Å; H184-Q188 WeakPolarHBondContact O-CG 3.17Å; H184-Q188 PolarHBondContact O-N 3.12Å; A185-Q188 PolarHBondContact O-N 2.81Å; Q188-M190 PolarHBondContact O-N 3.27Å; Q188-V191 PolarHBondContact O-N 3.38Å; Q188-V192 WeakPolarHBondContact O-CG2 3.32Å; Q188-V192 PolarHBondContact O-N 2.95Å
189S95.4Very high92.2Very high0 Ų028.3 Ų28.30%014%0.143CC..Hα-helixtrans-60.1-44.9178.7-167.90000111.9A185 Y186 F187 V191 V192 S193 Y219A185-S189 VanDerWaalsContact O-CB 3.31Å; A185-S189 WeakPolarHBondContact O-CB 3.44Å; A185-S189 PolarHBondContact O-N 3.25Å; Y186-S189 PolarHBondContact O-N 3.43Å; F187-S189 PolarHBondContact O-N 2.88Å; S189-V191 PolarHBondContact O-N 3.25Å; S189-V192 WeakPolarHBondContact O-CB 3.35Å; S189-V192 PolarHBondContact O-N 3.36Å; S189-S193 PolarHBondContact O-N 2.89Å; S189-S193 PolarHBondContact O-OG 2.95Å; S189-Y219 WeakPolarHBondContact CB-OH 3.35Å; S189-Y219 PolarHBondContact O-OH 2.98Å; S189-Y219 PolarHBondContact OG-OH 3.19Å
190M94.6Very high92.7Very high0 Ų023.3 Ų23.30%013%0.127CC..Hα-helixtrans-64.2-39.9176.5-176.1-133.251.800111.9Y186 F187 Q188 V192 S193 L194 Y219 F223 A233 F237Y186-M190 WeakPolarHBondContact O-CB 3.25Å; Y186-M190 PolarHBondContact O-N 2.86Å; F187-M190 HydrophobicContact CD2-CE 4.27Å; F187-M190 HydrophobicContact CE2-CE 4.47Å; F187-M190 PolarHBondContact O-N 3.41Å; Q188-M190 PolarHBondContact O-N 3.27Å; M190-V192 VanDerWaalsContact C-N 3.33Å; M190-V192 PolarHBondContact O-N 3.47Å; M190-S193 PolarHBondContact O-N 3.26Å; M190-L194 HydrophobicContact CE-CD1 3.62Å; M190-L194 HydrophobicContact CG-CD1 4.23Å; M190-L194 HydrophobicContact CG-CG 4.42Å; M190-L194 WeakPolarHBondContact O-CB 3.33Å; M190-L194 VanDerWaalsContact O-CG 3.31Å; M190-L194 WeakPolarHBondContact O-CG 3.5Å; M190-L194 PolarHBondContact O-N 2.87Å; M190-L194 HydrophobicContact SD-CD1 3.84Å; M190-Y219 HydrophobicContact CB-CD1 4.08Å; M190-Y219 HydrophobicContact CB-CD2 4.34Å; M190-Y219 HydrophobicContact CB-CE1 4Å; M190-Y219 HydrophobicContact CB-CE2 4.28Å; M190-Y219 HydrophobicContact CB-CG 4.25Å; M190-Y219 HydrophobicContact CG-CD2 4.21Å; M190-Y219 HydrophobicContact CG-CE2 4.46Å; M190-Y219 HydrophobicContact CG-CG 4.29Å; M190-Y219 PolarHBondContact N-OH 2.78Å; M190-F223 HydrophobicContact CG-CZ 4.18Å; M190-F223 HydrophobicContact SD-CE1 3.95Å; M190-F223 HydrophobicContact SD-CZ 3.62Å; M190-A233 HydrophobicContact CE-CB 3.87Å; M190-A233 HydrophobicContact SD-CB 3.63Å; M190-F237 HydrophobicContact SD-CB 4.48Å
191V95.3Very high92.9Very high12 Ų1224.6 Ų24.67%0.07313%0.132CC..Hα-helixtrans-64.8-36.9174.9171.90000111.5Y127 F187 Q188 S189 G195Y127-V191 HydrophobicContact CD2-CB 4.13Å; Y127-V191 HydrophobicContact CD2-CG1 4.07Å; Y127-V191 HydrophobicContact CE2-CB 3.86Å; Y127-V191 HydrophobicContact CE2-CG1 3.74Å; Y127-V191 HydrophobicContact CE2-CG2 4.36Å; F187-V191 HydrophobicContact CD2-CG2 4.2Å; F187-V191 HydrophobicContact CE1-CG2 4.25Å; F187-V191 HydrophobicContact CE2-CG2 3.75Å; F187-V191 HydrophobicContact CZ-CG2 3.78Å; F187-V191 WeakPolarHBondContact O-CG2 3.4Å; F187-V191 PolarHBondContact O-N 2.92Å; Q188-V191 PolarHBondContact O-N 3.38Å; S189-V191 PolarHBondContact O-N 3.25Å; V191-G195 PolarHBondContact O-N 3.03Å
192V96.4Very high93.4Very high5 Ų520.1 Ų20.13%0.0310%0.101CC..Hα-helixtrans-59.7-52.2171.6168.30000110.9Y127 F168 T171 Q188 S189 M190 L194 G195 R196Y127-V192 VanDerWaalsContact CA-CG2 3.42Å; F168-V192 HydrophobicContact CD1-CG1 3.63Å; F168-V192 HydrophobicContact CE1-CG1 3.83Å; T171-V192 HydrophobicContact CG2-CG1 4.37Å; Q188-V192 WeakPolarHBondContact O-CG2 3.32Å; Q188-V192 PolarHBondContact O-N 2.95Å; S189-V192 WeakPolarHBondContact O-CB 3.35Å; S189-V192 PolarHBondContact O-N 3.36Å; M190-V192 VanDerWaalsContact C-N 3.33Å; M190-V192 PolarHBondContact O-N 3.47Å; V192-L194 PolarHBondContact O-N 3.44Å; V192-G195 PolarHBondContact O-N 3.37Å; V192-R196 VanDerWaalsContact O-CB 3.26Å; V192-R196 WeakPolarHBondContact O-CB 3.42Å; V192-R196 PolarHBondContact O-N 2.93Å
193S95.1Very high93.1Very high18 Ų1819 Ų1913%0.12610%0.095CC..Hα-helixtrans-59.2-45.3178.4-58.30000112.3S189 M190 A197 I215 Y219S189-S193 PolarHBondContact O-N 2.89Å; S189-S193 PolarHBondContact O-OG 2.95Å; M190-S193 PolarHBondContact O-N 3.26Å; S193-A197 WeakPolarHBondContact O-CB 3.45Å; S193-A197 PolarHBondContact O-N 2.77Å; S193-I215 WeakPolarHBondContact O-CD1 3.15Å; S193-Y219 WeakPolarHBondContact OG-CE2 3.46Å; S193-Y219 PolarHBondContact OG-OH 3.01Å
194L95.2Very high93Very high4 Ų421.5 Ų21.52%0.02110%0.099CC..Hα-helixtrans-63.1-47178.4-78.7179.6000112.7M190 V192 A197 Y198 L212 I215 F237 L240M190-L194 HydrophobicContact CE-CD1 3.62Å; M190-L194 HydrophobicContact CG-CD1 4.23Å; M190-L194 HydrophobicContact CG-CG 4.42Å; M190-L194 WeakPolarHBondContact O-CB 3.33Å; M190-L194 VanDerWaalsContact O-CG 3.31Å; M190-L194 WeakPolarHBondContact O-CG 3.5Å; M190-L194 PolarHBondContact O-N 2.87Å; M190-L194 HydrophobicContact SD-CD1 3.84Å; V192-L194 PolarHBondContact O-N 3.44Å; L194-A197 PolarHBondContact O-N 2.94Å; L194-Y198 WeakPolarHBondContact O-CB 3.22Å; L194-Y198 PolarHBondContact O-N 3.41Å; L194-L212 HydrophobicContact CD2-CD2 3.29Å; L194-I215 HydrophobicContact CD2-CD1 4.21Å; L194-I215 HydrophobicContact CD2-CG2 4.19Å; L194-I215 HydrophobicContact CG-CG2 4.44Å; L194-F237 HydrophobicContact CD1-CB 4.2Å; L194-F237 HydrophobicContact CD1-CD2 4.35Å; L194-F237 HydrophobicContact CD2-CD2 3.8Å; L194-F237 HydrophobicContact CD2-CE2 4.23Å; L194-L240 HydrophobicContact CB-CD2 3.82Å
195G95.5Very high92.7Very high1 Ų121.2 Ų21.21%0.0110%0.097CC..Hα-helixtrans-68.2-39.9179.400000112.6V191 V192 Y198 I199V191-G195 PolarHBondContact O-N 3.03Å; V192-G195 PolarHBondContact O-N 3.37Å; G195-Y198 PolarHBondContact O-N 3.24Å; G195-I199 VanDerWaalsContact O-CG1 3.27Å; G195-I199 WeakPolarHBondContact O-CG1 3.44Å; G195-I199 PolarHBondContact O-N 3.21Å; G195-I199 VanDerWaalsContact O-N 3.15Å
196R94.7Very high92.3Very high61 Ų6124.1 Ų24.123%0.2312%0.115CC..Hα-helixtrans-56.1-53.5172.6-178.5176.3-178.3157.818.8110.5N165 E169 V192 Y198 I199 E200N165-R196 PolarHBondContact OD1-NH1 3.23Å; N165-R196 PolarHBondContact OD1-NH2 3.05Å; E169-R196 IonicContact OE1-NH1 3.42Å; E169-R196 PolarHBondContact OE1-NH1 3.09Å; V192-R196 VanDerWaalsContact O-CB 3.26Å; V192-R196 WeakPolarHBondContact O-CB 3.42Å; V192-R196 PolarHBondContact O-N 2.93Å; R196-Y198 VanDerWaalsContact C-N 3.34Å; R196-Y198 PolarHBondContact O-N 2.82Å; R196-I199 PolarHBondContact O-N 2.9Å; R196-E200 VanDerWaalsContact CG-CD 3.49Å; R196-E200 HydrophobicContact CG-CG 4.26Å; R196-E200 WeakPolarHBondContact CG-OE2 3.46Å; R196-E200 IonicContact CZ-OE1 3.76Å; R196-E200 IonicContact NE-OE1 3.84Å; R196-E200 PolarHBondContact NE-OE1 2.94Å; R196-E200 IonicContact NE-OE2 2.84Å; R196-E200 PolarHBondContact NE-OE2 3.38Å; R196-E200 IonicContact NH2-OE1 2.72Å; R196-E200 PolarHBondContact NH2-OE1 3.35Å; R196-E200 WeakPolarHBondContact O-CB 3.45Å; R196-E200 WeakPolarHBondContact O-CG 3.32Å; R196-E200 PolarHBondContact O-N 2.87Å
197A94.2Very high92.1Very high3 Ų322.8 Ų22.83%0.02512%0.117CC..Hα-helixtrans-59.9-39.7178.600000113.2S193 L194 I199 H201 F208 N211 I215S193-A197 WeakPolarHBondContact O-CB 3.45Å; S193-A197 PolarHBondContact O-N 2.77Å; L194-A197 PolarHBondContact O-N 2.94Å; A197-I199 VanDerWaalsContact C-N 3.31Å; A197-I199 PolarHBondContact O-N 3.49Å; A197-H201 WeakPolarHBondContact O-CB 3.26Å; A197-H201 PolarHBondContact O-N 3.39Å; A197-F208 HydrophobicContact CB-CD2 4.43Å; A197-F208 HydrophobicContact CB-CE2 4.45Å; A197-N211 HydrophobicContact CB-CB 3.99Å; A197-I215 HydrophobicContact CB-CD1 3.95Å
198Y94.8Very high91.9Very high0 Ų022.8 Ų22.80%012%0.117CC..Hα-helixtrans-61.4-37.9177.5-174-99.2000112.7L134 I137 F138 E141 L194 G195 R196 Y202 F208 L240 H243 A244 F248L134-Y198 HydrophobicContact CD2-CD1 3.86Å; I137-Y198 HydrophobicContact CG2-CE1 4.2Å; F138-Y198 AromaticContact CE1-CE1 3.92Å; F138-Y198 HydrophobicContact CE1-CE1 3.92Å; E141-Y198 WeakPolarHBondContact OE1-CE1 3.48Å; E141-Y198 PolarHBondContact OE1-OH 3.26Å; L194-Y198 WeakPolarHBondContact O-CB 3.22Å; L194-Y198 PolarHBondContact O-N 3.41Å; G195-Y198 PolarHBondContact O-N 3.24Å; R196-Y198 VanDerWaalsContact C-N 3.34Å; R196-Y198 PolarHBondContact O-N 2.82Å; Y198-Y202 HydrophobicContact CD1-CD2 4.27Å; Y198-Y202 AromaticContact CE1-CD2 3.78Å; Y198-Y202 HydrophobicContact CE1-CD2 3.78Å; Y198-Y202 AromaticContact CE1-CE2 3.75Å; Y198-Y202 HydrophobicContact CE1-CE2 3.75Å; Y198-Y202 AromaticContact CZ-CE2 3.89Å; Y198-Y202 VanDerWaalsContact O-CA 3.27Å; Y198-Y202 WeakPolarHBondContact O-CA 3.48Å; Y198-Y202 WeakPolarHBondContact O-CB 3.46Å; Y198-Y202 PolarHBondContact O-N 2.83Å; Y198-F208 HydrophobicContact CD2-CE2 4.02Å; Y198-F208 HydrophobicContact CD2-CZ 4.18Å; Y198-F208 HydrophobicContact CG-CE2 4.49Å; Y198-L240 HydrophobicContact CD2-CD1 3.74Å; Y198-L240 HydrophobicContact CD2-CD2 4.43Å; Y198-L240 HydrophobicContact CD2-CG 4.01Å; Y198-L240 HydrophobicContact CE2-CD1 4.02Å; Y198-L240 HydrophobicContact CG-CD1 4.06Å; Y198-L240 HydrophobicContact CG-CD2 4.43Å; Y198-L240 HydrophobicContact CG-CG 4.43Å; Y198-H243 AromaticContact CZ-CD2 3.87Å; Y198-H243 PolarHBondContact OH-CD2 3.14Å; Y198-H243 VanDerWaalsContact OH-CD2 3.3Å; Y198-A244 HydrophobicContact CD2-CB 4Å; Y198-A244 HydrophobicContact CE2-CB 3.77Å; Y198-F248 HydrophobicContact CD2-CE1 4.43Å; Y198-F248 HydrophobicContact CD2-CE2 4.36Å; Y198-F248 AromaticContact CD2-CZ 3.65Å; Y198-F248 HydrophobicContact CD2-CZ 3.65Å; Y198-F248 AromaticContact CE2-CE1 3.75Å; Y198-F248 HydrophobicContact CE2-CE1 3.75Å; Y198-F248 HydrophobicContact CE2-CE2 4.32Å; Y198-F248 AromaticContact CE2-CZ 3.4Å; Y198-F248 HydrophobicContact CE2-CZ 3.4Å; Y198-F248 VanDerWaalsContact CE2-CZ 3.4Å; Y198-F248 HydrophobicContact CG-CZ 4.33Å; Y198-F248 AromaticContact CZ-CE1 3.86Å; Y198-F248 AromaticContact CZ-CZ 3.9Å
199I93.8Very high91.5Very high0 Ų023.9 Ų23.90%013%0.126CC..Hα-helixtrans-83.8-44.6-177-59.9172.3000110.8C133 L134 I137 R154 V157 L161 G195 R196 A197 H201 Y202C133-I199 HydrophobicContact CB-CD1 3.69Å; L134-I199 HydrophobicContact CD2-CD1 3.98Å; L134-I199 HydrophobicContact CD2-CG1 4.14Å; L134-I199 HydrophobicContact CG-CD1 4.28Å; I137-I199 HydrophobicContact CD1-CB 4.34Å; I137-I199 HydrophobicContact CD1-CD1 3.95Å; I137-I199 HydrophobicContact CD1-CG1 3.64Å; I137-I199 HydrophobicContact CD1-CG2 3.94Å; R154-I199 PolarHBondContact NE-O 3.39Å; R154-I199 PolarHBondContact NH2-O 3.27Å; V157-I199 HydrophobicContact CG1-CD1 4.4Å; V157-I199 HydrophobicContact CG1-CG2 4.29Å; L161-I199 HydrophobicContact CD1-CB 4.03Å; L161-I199 HydrophobicContact CD1-CD1 3.87Å; L161-I199 HydrophobicContact CD1-CG2 3.73Å; G195-I199 VanDerWaalsContact O-CG1 3.27Å; G195-I199 WeakPolarHBondContact O-CG1 3.44Å; G195-I199 PolarHBondContact O-N 3.21Å; G195-I199 VanDerWaalsContact O-N 3.15Å; R196-I199 PolarHBondContact O-N 2.9Å; A197-I199 VanDerWaalsContact C-N 3.31Å; A197-I199 PolarHBondContact O-N 3.49Å; I199-H201 PolarHBondContact O-N 3.44Å; I199-Y202 PolarHBondContact O-N 3.47Å
200E92.6Very high91.2Very high51 Ų5126.4 Ų26.424%0.23815%0.146CC..Hα-helixtrans-64.5-27176.5-72.2178.7161.700112.7R154 L158 R196R154-E200 PolarHBondContact NH2-O 3.24Å; L158-E200 HydrophobicContact CD1-CG 3.88Å; R196-E200 VanDerWaalsContact CG-CD 3.49Å; R196-E200 HydrophobicContact CG-CG 4.26Å; R196-E200 WeakPolarHBondContact CG-OE2 3.46Å; R196-E200 IonicContact CZ-OE1 3.76Å; R196-E200 IonicContact NE-OE1 3.84Å; R196-E200 PolarHBondContact NE-OE1 2.94Å; R196-E200 IonicContact NE-OE2 2.84Å; R196-E200 PolarHBondContact NE-OE2 3.38Å; R196-E200 IonicContact NH2-OE1 2.72Å; R196-E200 PolarHBondContact NH2-OE1 3.35Å; R196-E200 WeakPolarHBondContact O-CB 3.45Å; R196-E200 WeakPolarHBondContact O-CG 3.32Å; R196-E200 PolarHBondContact O-N 2.87Å
201H90.9Very high91.1Very high41 Ų4128.6 Ų28.619%0.1916%0.158CC..THydrogen-bonded Turntrans-119.724.8178.1-56.2-39.4000114.4A197 I199 C203 K204 A207 F208 N211A197-H201 WeakPolarHBondContact O-CB 3.26Å; A197-H201 PolarHBondContact O-N 3.39Å; I199-H201 PolarHBondContact O-N 3.44Å; H201-C203 PolarHBondContact O-N 2.94Å; H201-K204 HydrophobicContact CB-CB 4.45Å; H201-K204 WeakPolarHBondContact O-CA 3.41Å; H201-K204 WeakPolarHBondContact O-CB 3.38Å; H201-K204 PolarHBondContact O-N 3.46Å; H201-A207 HydrophobicContact CB-CB 4.17Å; H201-F208 HydrophobicContact CB-CB 3.84Å; H201-N211 PolarHBondContact CD2-ND2 3.35Å; H201-N211 PolarHBondContact NE2-ND2 2.89Å
202Y89.3Confident90.8Very high12 Ų1228.1 Ų28.15%0.04716%0.155CC..THydrogen-bonded Turntrans-52.2127.8176.2-164.6-94.7000112.4I137 E141 V150 R154 Y198 I199 K204 I247 F248I137-Y202 HydrophobicContact CG2-CD2 4.43Å; I137-Y202 HydrophobicContact CG2-CE2 3.91Å; E141-Y202 WeakPolarHBondContact CG-OH 3.03Å; E141-Y202 WeakPolarHBondContact OE1-CE2 3.29Å; V150-Y202 HydrophobicContact CG1-CE1 3.74Å; V150-Y202 WeakPolarHBondContact CG1-OH 3.47Å; R154-Y202 HydrophobicContact CB-CD1 4.46Å; R154-Y202 HydrophobicContact CG-CD1 4.07Å; R154-Y202 HydrophobicContact CG-CG 3.92Å; Y198-Y202 HydrophobicContact CD1-CD2 4.27Å; Y198-Y202 AromaticContact CE1-CD2 3.78Å; Y198-Y202 HydrophobicContact CE1-CD2 3.78Å; Y198-Y202 AromaticContact CE1-CE2 3.75Å; Y198-Y202 HydrophobicContact CE1-CE2 3.75Å; Y198-Y202 AromaticContact CZ-CE2 3.89Å; Y198-Y202 VanDerWaalsContact O-CA 3.27Å; Y198-Y202 WeakPolarHBondContact O-CA 3.48Å; Y198-Y202 WeakPolarHBondContact O-CB 3.46Å; Y198-Y202 PolarHBondContact O-N 2.83Å; I199-Y202 PolarHBondContact O-N 3.47Å; Y202-K204 PolarHBondContact O-N 3.06Å; Y202-K204 VanDerWaalsContact O-N 3.14Å; Y202-I247 HydrophobicContact CE2-CG2 4.45Å; Y202-I247 WeakPolarHBondContact OH-CG2 3.23Å; Y202-F248 AromaticContact CD2-CE1 3.53Å; Y202-F248 HydrophobicContact CD2-CE1 3.53Å; Y202-F248 AromaticContact CD2-CZ 3.9Å; Y202-F248 HydrophobicContact CD2-CZ 3.9Å; Y202-F248 AromaticContact CE2-CE1 3.67Å; Y202-F248 HydrophobicContact CE2-CE1 3.67Å; Y202-F248 HydrophobicContact CE2-CZ 4.42Å; Y202-F248 HydrophobicContact CG-CE1 4.01Å; Y202-F248 HydrophobicContact CG-CZ 4.36Å
203C82.7Confident90.5Very high15 Ų1530.6 Ų30.610%0.10117%0.168CC..THydrogen-bonded Turntrans59.38.5-172.2-63.10000116.6Y147 H201 F248 N251Y147-C203 HydrophobicContact CE2-CB 4.06Å; H201-C203 PolarHBondContact O-N 2.94Å; C203-F248 HydrophobicContact CB-CD1 4.49Å; C203-F248 VanDerWaalsContact N-CD1 3.26Å; C203-F248 VanDerWaalsContact N-CE1 3.33Å; C203-N251 PolarHBondContact O-ND2 3.02Å
204K86.3Confident90.3Very high119 Ų11934.8 Ų34.852%0.51719%0.189SC..  trans-108.371.8173.2-69.2-166.7170.8-164.50110.7H201 Y202 A207 F208H201-K204 HydrophobicContact CB-CB 4.45Å; H201-K204 WeakPolarHBondContact O-CA 3.41Å; H201-K204 WeakPolarHBondContact O-CB 3.38Å; H201-K204 PolarHBondContact O-N 3.46Å; Y202-K204 PolarHBondContact O-N 3.06Å; Y202-K204 VanDerWaalsContact O-N 3.14Å; K204-A207 HydrophobicContact CB-CB 4.22Å; K204-A207 PolarHBondContact O-N 3.19Å; K204-A207 VanDerWaalsContact O-N 3.15Å; K204-F208 PolarHBondContact O-N 3.21Å
205W84.7Confident90.1Very high30 Ų3035 Ų3511%0.11419%0.19CC..Hα-helixtrans-46.1-49-175.5171.8-94.4000115.1A207 F208 S209 H241 A244 R245 F248W205-A207 PolarHBondContact O-N 3.46Å; W205-F208 HydrophobicContact CE3-CD1 4.38Å; W205-F208 HydrophobicContact CZ3-CD1 4.25Å; W205-F208 PolarHBondContact O-N 3.31Å; W205-S209 WeakPolarHBondContact O-CB 3.27Å; W205-S209 PolarHBondContact O-N 3.01Å; W205-H241 AromaticContact CH2-CD2 3.5Å; W205-H241 AromaticContact CH2-NE2 3.41Å; W205-H241 WeakPolarHBondContact CH2-NE2 3.27Å; W205-H241 AromaticContact CZ2-NE2 4Å; W205-A244 HydrophobicContact CZ3-CB 4.3Å; W205-R245 VanDerWaalsContact CD1-NH1 3.35Å; W205-R245 HydrophobicContact CE3-CB 4.29Å; W205-R245 HydrophobicContact CH2-CB 3.77Å; W205-R245 HydrophobicContact CH2-CG 4.1Å; W205-R245 VanDerWaalsContact CZ3-CA 3.45Å; W205-R245 HydrophobicContact CZ3-CB 3.53Å; W205-R245 HydrophobicContact CZ3-CG 4.19Å; W205-R245 VanDerWaalsContact NE1-NH1 3.18Å; W205-F248 HydrophobicContact CB-CB 4.29Å
206P84.9Confident89.7Confident65 Ų6538.3 Ų38.342%0.42220%0.202SC..Hα-helixtrans-62.6-42.4-178-23.134.9000113.2S209 A210P206-S209 PolarHBondContact O-N 3.38Å; P206-A210 PolarHBondContact O-N 3.12Å
207A88.2Confident89.4Confident34 Ų3441.3 Ų41.328%0.28122%0.222SC..Hα-helixtrans-68.2-38.8178.400000112.1H201 K204 W205 N211H201-A207 HydrophobicContact CB-CB 4.17Å; K204-A207 HydrophobicContact CB-CB 4.22Å; K204-A207 PolarHBondContact O-N 3.19Å; K204-A207 VanDerWaalsContact O-N 3.15Å; W205-A207 PolarHBondContact O-N 3.46Å; A207-N211 PolarHBondContact O-N 3.39Å; A207-N211 PolarHBondContact O-ND2 3.22Å
208F90.7Very high89.1Confident0 Ų043.9 Ų43.90%023%0.233CC..Hα-helixtrans-64.1-46.3173.8176.7-103000111.9A197 Y198 H201 K204 W205 A210 N211 L212 L240 A244 F248A197-F208 HydrophobicContact CB-CD2 4.43Å; A197-F208 HydrophobicContact CB-CE2 4.45Å; Y198-F208 HydrophobicContact CD2-CE2 4.02Å; Y198-F208 HydrophobicContact CD2-CZ 4.18Å; Y198-F208 HydrophobicContact CG-CE2 4.49Å; H201-F208 HydrophobicContact CB-CB 3.84Å; K204-F208 PolarHBondContact O-N 3.21Å; W205-F208 HydrophobicContact CE3-CD1 4.38Å; W205-F208 HydrophobicContact CZ3-CD1 4.25Å; W205-F208 PolarHBondContact O-N 3.31Å; F208-A210 PolarHBondContact O-N 2.97Å; F208-N211 PolarHBondContact O-N 3.1Å; F208-L212 HydrophobicContact CD1-CD1 4.1Å; F208-L212 HydrophobicContact CD1-CG 4.33Å; F208-L212 HydrophobicContact CE1-CD1 3.38Å; F208-L212 HydrophobicContact CE1-CD2 4.29Å; F208-L212 HydrophobicContact CE1-CG 3.81Å; F208-L212 HydrophobicContact CE2-CD2 4.17Å; F208-L212 HydrophobicContact CE2-CG 4.29Å; F208-L212 HydrophobicContact CZ-CD1 3.72Å; F208-L212 HydrophobicContact CZ-CD2 3.78Å; F208-L212 HydrophobicContact CZ-CG 3.8Å; F208-L212 PolarHBondContact O-N 2.71Å; F208-L240 HydrophobicContact CZ-CG 4.48Å; F208-A244 HydrophobicContact CD1-CB 3.56Å; F208-A244 HydrophobicContact CE1-CB 3.11Å; F208-A244 HydrophobicContact CE2-CB 4.47Å; F208-A244 HydrophobicContact CG-CB 4.38Å; F208-A244 HydrophobicContact CZ-CB 3.64Å; F208-F248 HydrophobicContact CB-CD2 4.4Å; F208-F248 HydrophobicContact CB-CE2 3.99Å; F208-F248 HydrophobicContact CD1-CE2 4.16Å; F208-F248 HydrophobicContact CD2-CE2 4.27Å; F208-F248 AromaticContact CG-CE2 3.86Å; F208-F248 HydrophobicContact CG-CE2 3.86Å
209S85.8Confident88.9Confident30 Ų3044 Ų4421%0.2123%0.234CC..Hα-helixtrans-58.8-47.9178-166.70000111.6W205 P206 N211 L212 D213W205-S209 WeakPolarHBondContact O-CB 3.27Å; W205-S209 PolarHBondContact O-N 3.01Å; P206-S209 PolarHBondContact O-N 3.38Å; S209-N211 VanDerWaalsContact C-N 3.27Å; S209-N211 PolarHBondContact O-N 3.41Å; S209-L212 WeakPolarHBondContact O-CB 3.48Å; S209-L212 PolarHBondContact O-N 3.45Å; S209-L212 VanDerWaalsContact O-N 3.08Å; S209-D213 PolarHBondContact O-N 2.81Å
210A88.6Confident88.7Confident53 Ų5349.3 Ų49.344%0.43826%0.257SS..Hα-helixtrans-59.7-36.9177.500000112.6P206 F208 D213 L214P206-A210 PolarHBondContact O-N 3.12Å; F208-A210 PolarHBondContact O-N 2.97Å; A210-D213 PolarHBondContact O-N 3.17Å; A210-L214 WeakPolarHBondContact O-CG 3.39Å; A210-L214 PolarHBondContact O-N 3.49Å; A210-L214 VanDerWaalsContact O-N 3.14Å
211N92.4Very high88.4Confident46 Ų4655 Ų5525%0.24628%0.283CS..Hα-helixtrans-70.8-33.5175.2-83.9-94.4000112.9A197 H201 A207 F208 S209 D213 L214 I215A197-N211 HydrophobicContact CB-CB 3.99Å; H201-N211 PolarHBondContact CD2-ND2 3.35Å; H201-N211 PolarHBondContact NE2-ND2 2.89Å; A207-N211 PolarHBondContact O-N 3.39Å; A207-N211 PolarHBondContact O-ND2 3.22Å; F208-N211 PolarHBondContact O-N 3.1Å; S209-N211 VanDerWaalsContact C-N 3.27Å; S209-N211 PolarHBondContact O-N 3.41Å; N211-D213 VanDerWaalsContact C-N 3.31Å; N211-D213 PolarHBondContact O-N 3.24Å; N211-L214 PolarHBondContact O-N 3Å; N211-I215 WeakPolarHBondContact O-CB 3.4Å; N211-I215 WeakPolarHBondContact O-CG1 3.45Å; N211-I215 PolarHBondContact O-N 2.62Å
212L91Very high88.3Confident2 Ų254 Ų541%0.0128%0.279CS..Hα-helixtrans-62.6-38.3172.6-72.1-174.4000112.3L194 F208 S209 I215 R216 F237 H241L194-L212 HydrophobicContact CD2-CD2 3.29Å; F208-L212 HydrophobicContact CD1-CD1 4.1Å; F208-L212 HydrophobicContact CD1-CG 4.33Å; F208-L212 HydrophobicContact CE1-CD1 3.38Å; F208-L212 HydrophobicContact CE1-CD2 4.29Å; F208-L212 HydrophobicContact CE1-CG 3.81Å; F208-L212 HydrophobicContact CE2-CD2 4.17Å; F208-L212 HydrophobicContact CE2-CG 4.29Å; F208-L212 HydrophobicContact CZ-CD1 3.72Å; F208-L212 HydrophobicContact CZ-CD2 3.78Å; F208-L212 HydrophobicContact CZ-CG 3.8Å; F208-L212 PolarHBondContact O-N 2.71Å; S209-L212 WeakPolarHBondContact O-CB 3.48Å; S209-L212 PolarHBondContact O-N 3.45Å; S209-L212 VanDerWaalsContact O-N 3.08Å; L212-I215 PolarHBondContact O-N 3.44Å; L212-R216 VanDerWaalsContact O-CB 3.32Å; L212-R216 WeakPolarHBondContact O-CB 3.43Å; L212-R216 PolarHBondContact O-N 3.34Å; L212-F237 HydrophobicContact CB-CE2 4.4Å; L212-F237 HydrophobicContact CB-CZ 4.11Å; L212-F237 HydrophobicContact CD2-CE2 4.2Å; L212-H241 HydrophobicContact CD1-CB 3.56Å; L212-H241 WeakPolarHBondContact CD1-CD2 3.43Å; L212-H241 VanDerWaalsContact CD1-CG 3.42Å
213D88.1Confident88.2Confident57 Ų5754.6 Ų54.631%0.30528%0.281SS..Hα-helixtrans-68.9-38.7176.2-69.3-49.4000111.7S209 A210 N211 R216 L217S209-D213 PolarHBondContact O-N 2.81Å; A210-D213 PolarHBondContact O-N 3.17Å; N211-D213 VanDerWaalsContact C-N 3.31Å; N211-D213 PolarHBondContact O-N 3.24Å; D213-R216 PolarHBondContact O-N 3.19Å; D213-L217 WeakPolarHBondContact O-CG 3.34Å; D213-L217 PolarHBondContact O-N 3.18Å
214L91.3Very high88.4Confident106 Ų10659.7 Ų59.756%0.55530%0.304SS*.Hα-helixtrans-61.7-44.2170.8-68.4174.5000112.3A210 N211 R216 L217 Q218A210-L214 WeakPolarHBondContact O-CG 3.39Å; A210-L214 PolarHBondContact O-N 3.49Å; A210-L214 VanDerWaalsContact O-N 3.14Å; N211-L214 PolarHBondContact O-N 3Å; L214-R216 VanDerWaalsContact C-N 3.33Å; L214-R216 PolarHBondContact O-N 2.96Å; L214-L217 PolarHBondContact O-N 3.31Å; L214-Q218 PolarHBondContact O-N 3.42Å
215I91.4Very high88.3Confident10 Ų1055.3 Ų55.35%0.05129%0.293CS..Hα-helixtrans-62.3-41.7174.9-70.2166.9000110.4S193 L194 A197 N211 L212 L217 Q218 Y219 F237S193-I215 WeakPolarHBondContact O-CD1 3.15Å; L194-I215 HydrophobicContact CD2-CD1 4.21Å; L194-I215 HydrophobicContact CD2-CG2 4.19Å; L194-I215 HydrophobicContact CG-CG2 4.44Å; A197-I215 HydrophobicContact CB-CD1 3.95Å; N211-I215 WeakPolarHBondContact O-CB 3.4Å; N211-I215 WeakPolarHBondContact O-CG1 3.45Å; N211-I215 PolarHBondContact O-N 2.62Å; L212-I215 PolarHBondContact O-N 3.44Å; I215-L217 VanDerWaalsContact C-N 3.28Å; I215-L217 PolarHBondContact O-N 3.18Å; I215-Q218 PolarHBondContact O-N 3.04Å; I215-Y219 HydrophobicContact CG2-CD2 3.82Å; I215-Y219 HydrophobicContact CG2-CE2 4.15Å; I215-Y219 WeakPolarHBondContact O-CD2 3.47Å; I215-Y219 PolarHBondContact O-N 2.85Å; I215-F237 HydrophobicContact CG2-CE2 4.35Å
216R86.3Confident88.3Confident70 Ų7063 Ų6326%0.26433%0.327SS..Hα-helixtrans-62.8-35177.1-172.6180178.7-164.81.4112.4L212 D213 L214 K220 F237L212-R216 VanDerWaalsContact O-CB 3.32Å; L212-R216 WeakPolarHBondContact O-CB 3.43Å; L212-R216 PolarHBondContact O-N 3.34Å; D213-R216 PolarHBondContact O-N 3.19Å; L214-R216 VanDerWaalsContact C-N 3.33Å; L214-R216 PolarHBondContact O-N 2.96Å; R216-K220 PolarHBondContact O-N 3.21Å; R216-F237 HydrophobicContact CB-CE2 4.2Å; R216-F237 HydrophobicContact CB-CZ 4.06Å
217L88.6Confident88.4Confident123 Ų12362 Ų6264%0.64432%0.321SS*.Hα-helixtrans-71.5-45.6172.4-69.5169.5000111.7D213 L214 I215 Y219 K220D213-L217 WeakPolarHBondContact O-CG 3.34Å; D213-L217 PolarHBondContact O-N 3.18Å; L214-L217 PolarHBondContact O-N 3.31Å; I215-L217 VanDerWaalsContact C-N 3.28Å; I215-L217 PolarHBondContact O-N 3.18Å; L217-Y219 PolarHBondContact O-N 3.14Å; L217-K220 VanDerWaalsContact O-CB 3.29Å; L217-K220 WeakPolarHBondContact O-CB 3.48Å; L217-K220 PolarHBondContact O-N 3.43Å
218Q89.1Confident88.5Confident57 Ų5762.1 Ų62.127%0.26632%0.315SS..Hα-helixtrans-58.7-45.8178.7-179175.912.400112.2H172 C175 L214 I215 K220H172-Q218 PolarHBondContact CE1-NE2 3.49Å; H172-Q218 VanDerWaalsContact CE1-NE2 3.33Å; H172-Q218 PolarHBondContact ND1-NE2 3.06Å; C175-Q218 PolarHBondContact SG-NE2 3.47Å; L214-Q218 PolarHBondContact O-N 3.42Å; I215-Q218 PolarHBondContact O-N 3.04Å; Q218-K220 VanDerWaalsContact C-N 3.34Å; Q218-K220 PolarHBondContact O-N 3.26Å
219Y90.6Very high88.4Confident4 Ų462.6 Ų62.62%0.01632%0.318CS..THydrogen-bonded Turntrans-93.918.5-177.9-66.5-84.3000113.3C175 S189 M190 S193 I215 L217 E221 F222 F223C175-Y219 VanDerWaalsContact SG-CE1 3.56Å; S189-Y219 WeakPolarHBondContact CB-OH 3.35Å; S189-Y219 PolarHBondContact O-OH 2.98Å; S189-Y219 PolarHBondContact OG-OH 3.19Å; M190-Y219 HydrophobicContact CB-CD1 4.08Å; M190-Y219 HydrophobicContact CB-CD2 4.34Å; M190-Y219 HydrophobicContact CB-CE1 4Å; M190-Y219 HydrophobicContact CB-CE2 4.28Å; M190-Y219 HydrophobicContact CB-CG 4.25Å; M190-Y219 HydrophobicContact CG-CD2 4.21Å; M190-Y219 HydrophobicContact CG-CE2 4.46Å; M190-Y219 HydrophobicContact CG-CG 4.29Å; M190-Y219 PolarHBondContact N-OH 2.78Å; S193-Y219 WeakPolarHBondContact OG-CE2 3.46Å; S193-Y219 PolarHBondContact OG-OH 3.01Å; I215-Y219 HydrophobicContact CG2-CD2 3.82Å; I215-Y219 HydrophobicContact CG2-CE2 4.15Å; I215-Y219 WeakPolarHBondContact O-CD2 3.47Å; I215-Y219 PolarHBondContact O-N 2.85Å; L217-Y219 PolarHBondContact O-N 3.14Å; Y219-E221 PolarHBondContact O-N 3.08Å; Y219-F222 HydrophobicContact CD1-CD1 4.42Å; Y219-F222 WeakPolarHBondContact O-CB 3.28Å; Y219-F222 PolarHBondContact O-N 3.41Å; Y219-F223 VanDerWaalsContact O-CD2 3.3Å; Y219-F223 WeakPolarHBondContact O-CD2 3.26Å; Y219-F223 PolarHBondContact O-N 2.89Å
220K88.3Confident88.7Confident110 Ų11061.2 Ų61.248%0.47831%0.309SS..Hα-helixtrans-53.5-52.4-173.2-177-167162.8-161.80113.2R216 L217 Q218 F222 F223 E224R216-K220 PolarHBondContact O-N 3.21Å; L217-K220 VanDerWaalsContact O-CB 3.29Å; L217-K220 WeakPolarHBondContact O-CB 3.48Å; L217-K220 PolarHBondContact O-N 3.43Å; Q218-K220 VanDerWaalsContact C-N 3.34Å; Q218-K220 PolarHBondContact O-N 3.26Å; K220-F222 VanDerWaalsContact C-N 3.31Å; K220-F222 PolarHBondContact O-N 3.32Å; K220-F223 CarbonylContact O-C 3.47Å; K220-F223 PolarHBondContact O-N 3.43Å; K220-F223 VanDerWaalsContact O-N 3.09Å; K220-E224 WeakPolarHBondContact CE-OE1 3.47Å; K220-E224 IonicContact NZ-OE1 2.62Å; K220-E224 PolarHBondContact O-N 2.66Å
221E86.3Confident88.7Confident170 Ų17060.8 Ų60.879%0.79430%0.301SS*.Hα-helixtrans-62.9-38.4-178.4-60.2-175.8167.700112Y219 E224 G225Y219-E221 PolarHBondContact O-N 3.08Å; E221-E224 PolarHBondContact O-N 2.98Å; E221-G225 PolarHBondContact O-N 2.98Å
222F89.3Confident88.6Confident21 Ų2158.6 Ų58.69%0.09229%0.289CS..Hα-helixtrans-64.3-44.6172.4174.7-117.5000110.9P183 Y186 F187 Y219 K220 E224 G225 A229 V230 A233P183-F222 HydrophobicContact CB-CE2 4.44Å; Y186-F222 HydrophobicContact CD1-CB 3.96Å; Y186-F222 HydrophobicContact CD1-CD2 4.14Å; Y186-F222 HydrophobicContact CD1-CG 4.04Å; Y186-F222 HydrophobicContact CD2-CD2 4.45Å; Y186-F222 HydrophobicContact CG-CB 4.46Å; Y186-F222 AromaticContact CG-CD2 3.77Å; Y186-F222 HydrophobicContact CG-CD2 3.77Å; Y186-F222 HydrophobicContact CG-CE2 4.16Å; Y186-F222 HydrophobicContact CG-CG 4.11Å; F187-F222 HydrophobicContact CB-CZ 4.31Å; Y219-F222 HydrophobicContact CD1-CD1 4.42Å; Y219-F222 WeakPolarHBondContact O-CB 3.28Å; Y219-F222 PolarHBondContact O-N 3.41Å; K220-F222 VanDerWaalsContact C-N 3.31Å; K220-F222 PolarHBondContact O-N 3.32Å; F222-E224 VanDerWaalsContact C-N 3.28Å; F222-E224 PolarHBondContact O-N 3.15Å; F222-G225 PolarHBondContact O-N 3.04Å; F222-A229 HydrophobicContact CZ-CB 4.49Å; F222-V230 HydrophobicContact CD2-CG2 3.62Å; F222-V230 HydrophobicContact CE1-CG2 4.47Å; F222-V230 HydrophobicContact CE2-CB 4.5Å; F222-V230 HydrophobicContact CE2-CG2 3.38Å; F222-V230 HydrophobicContact CG-CG2 4.26Å; F222-V230 HydrophobicContact CZ-CG2 3.86Å; F222-V230 VanDerWaalsContact O-CG1 3.23Å; F222-V230 WeakPolarHBondContact O-CG1 3.31Å; F222-V230 WeakPolarHBondContact O-CG2 3.45Å; F222-A233 HydrophobicContact CE1-CB 3.52Å; F222-A233 HydrophobicContact CZ-CB 4.01Å
223F87.6Confident88.7Confident24 Ų2458.5 Ų58.511%0.10529%0.288CS..Hα-helixtrans-64.4-27.2177.6-80.3-52.2000114M190 Y219 K220 G225 A233 R234 F237M190-F223 HydrophobicContact CG-CZ 4.18Å; M190-F223 HydrophobicContact SD-CE1 3.95Å; M190-F223 HydrophobicContact SD-CZ 3.62Å; Y219-F223 VanDerWaalsContact O-CD2 3.3Å; Y219-F223 WeakPolarHBondContact O-CD2 3.26Å; Y219-F223 PolarHBondContact O-N 2.89Å; K220-F223 CarbonylContact O-C 3.47Å; K220-F223 PolarHBondContact O-N 3.43Å; K220-F223 VanDerWaalsContact O-N 3.09Å; F223-G225 VanDerWaalsContact C-N 3.27Å; F223-A233 HydrophobicContact CE1-CB 4.23Å; F223-R234 HydrophobicContact CD1-CG 3.71Å; F223-R234 HydrophobicContact CE1-CG 4.07Å; F223-R234 VanDerWaalsContact O-CZ 3.32Å; F223-R234 PolarHBondContact O-NE 2.87Å; F223-R234 VanDerWaalsContact O-NE 3.12Å; F223-R234 PolarHBondContact O-NH2 3.18Å; F223-F237 HydrophobicContact CE1-CB 4.49Å; F223-F237 HydrophobicContact CE2-CD2 4.32Å; F223-F237 HydrophobicContact CZ-CB 4.23Å; F223-F237 AromaticContact CZ-CD2 3.8Å; F223-F237 HydrophobicContact CZ-CD2 3.8Å; F223-F237 HydrophobicContact CZ-CE2 4.5Å; F223-F237 HydrophobicContact CZ-CG 4.15Å
224E86.8Confident88.8Confident122 Ų12259.3 Ų59.357%0.5729%0.287SS*.Hα-helixtrans-73.4-17173-73.2175.3175.200112.9K220 E221 F222K220-E224 WeakPolarHBondContact CE-OE1 3.47Å; K220-E224 IonicContact NZ-OE1 2.62Å; K220-E224 PolarHBondContact O-N 2.66Å; E221-E224 PolarHBondContact O-N 2.98Å; F222-E224 VanDerWaalsContact C-N 3.28Å; F222-E224 PolarHBondContact O-N 3.15Å
225G83.5Confident88.8Confident28 Ų2854.3 Ų54.329%0.28926%0.261SS..  trans-66.715617900000115.4E221 F222 F223 V230E221-G225 PolarHBondContact O-N 2.98Å; F222-G225 PolarHBondContact O-N 3.04Å; F223-G225 VanDerWaalsContact C-N 3.27Å; G225-V230 VanDerWaalsContact O-CG1 3.24Å; G225-V230 WeakPolarHBondContact O-CG1 3.33Å
226K86Confident88.9Confident191 Ų19154.2 Ų54.283%0.8326%0.26SS*.  trans-10312.7-179.2-60.7-176.7-179.2179.50114.4
227S87.1Confident89.3Confident43 Ų4351.5 Ų51.530%0.30125%0.25SS..SBendtrans-79156.7-177.784.60000112.8A229 V230 V231S227-A229 PolarHBondContact O-N 3.36Å; S227-V230 WeakPolarHBondContact O-CB 3.24Å; S227-V230 PolarHBondContact O-N 3.32Å; S227-V230 WeakPolarHBondContact OG-CG2 3.45Å; S227-V231 PolarHBondContact O-N 3Å
228W89Confident89.4Confident38 Ų3847.4 Ų47.414%0.14423%0.226CC..Hα-helixtrans-53.8-40.5177.4-176.292.2000112.7V230 V231 C232 L288 F291 M292 N360 L363W228-V230 VanDerWaalsContact C-N 3.27Å; W228-V230 PolarHBondContact O-N 3.08Å; W228-V231 PolarHBondContact O-N 3.31Å; W228-C232 HydrophobicContact CE3-CB 4.19Å; W228-C232 HydrophobicContact CH2-CB 3.78Å; W228-C232 VanDerWaalsContact CH2-SG 3.55Å; W228-C232 HydrophobicContact CZ2-CB 4.3Å; W228-C232 HydrophobicContact CZ3-CB 3.75Å; W228-C232 WeakPolarHBondContact O-CB 3.41Å; W228-C232 PolarHBondContact O-N 3.31Å; W228-L288 HydrophobicContact CD2-CD2 4.25Å; W228-L288 HydrophobicContact CG-CD2 4.35Å; W228-L288 HydrophobicContact CZ2-CB 4.4Å; W228-L288 HydrophobicContact CZ2-CD2 3.9Å; W228-L288 VanDerWaalsContact NE1-CD2 3.35Å; W228-F291 AromaticContact CD1-CD1 3.78Å; W228-M292 HydrophobicContact CZ2-CG 4.36Å; W228-N360 HydrophobicContact CD2-CB 4.25Å; W228-N360 HydrophobicContact CE3-CB 4.12Å; W228-N360 HydrophobicContact CH2-CB 3.86Å; W228-N360 WeakPolarHBondContact CH2-O 3.45Å; W228-N360 HydrophobicContact CZ2-CB 3.94Å; W228-N360 WeakPolarHBondContact CZ2-O 3.22Å; W228-N360 HydrophobicContact CZ3-CB 3.92Å; W228-L363 HydrophobicContact CH2-CB 3.84Å; W228-L363 HydrophobicContact CH2-CD1 4.37Å; W228-L363 HydrophobicContact CZ3-CD1 4.43Å
229A90.3Very high89.6Confident9 Ų945.6 Ų45.67%0.07422%0.217CC..Hα-helixtrans-64.1-29.917800000112.8P183 F187 F222 S227 A233P183-A229 HydrophobicContact CB-CB 3.74Å; P183-A229 WeakPolarHBondContact O-CB 3.48Å; F187-A229 HydrophobicContact CB-CB 4.34Å; F222-A229 HydrophobicContact CZ-CB 4.49Å; S227-A229 PolarHBondContact O-N 3.36Å; A229-A233 WeakPolarHBondContact O-CB 3.45Å; A229-A233 PolarHBondContact O-N 3.46Å
230V90.6Very high89.7Confident2 Ų245.7 Ų45.71%0.01222%0.218CC..Hα-helixtrans-73.3-42175.4179.20000111.1F222 G225 S227 W228 C232 A233 R234F222-V230 HydrophobicContact CD2-CG2 3.62Å; F222-V230 HydrophobicContact CE1-CG2 4.47Å; F222-V230 HydrophobicContact CE2-CB 4.5Å; F222-V230 HydrophobicContact CE2-CG2 3.38Å; F222-V230 HydrophobicContact CG-CG2 4.26Å; F222-V230 HydrophobicContact CZ-CG2 3.86Å; F222-V230 VanDerWaalsContact O-CG1 3.23Å; F222-V230 WeakPolarHBondContact O-CG1 3.31Å; F222-V230 WeakPolarHBondContact O-CG2 3.45Å; G225-V230 VanDerWaalsContact O-CG1 3.24Å; G225-V230 WeakPolarHBondContact O-CG1 3.33Å; S227-V230 WeakPolarHBondContact O-CB 3.24Å; S227-V230 PolarHBondContact O-N 3.32Å; S227-V230 WeakPolarHBondContact OG-CG2 3.45Å; W228-V230 VanDerWaalsContact C-N 3.27Å; W228-V230 PolarHBondContact O-N 3.08Å; V230-C232 VanDerWaalsContact C-N 3.29Å; V230-C232 PolarHBondContact O-N 2.89Å; V230-A233 WeakPolarHBondContact O-CB 3.23Å; V230-A233 PolarHBondContact O-N 3.18Å; V230-R234 HydrophobicContact CG1-CG 4.37Å; V230-R234 WeakPolarHBondContact O-CB 3.4Å; V230-R234 WeakPolarHBondContact O-CG 3.29Å; V230-R234 PolarHBondContact O-N 3.47Å
231V88.2Confident89.8Confident44 Ų4443.4 Ų43.427%0.26721%0.209SC..Hα-helixtrans-65.3-37.4176-1760000110.6S227 W228 G235 L288S227-V231 PolarHBondContact O-N 3Å; W228-V231 PolarHBondContact O-N 3.31Å; V231-G235 PolarHBondContact O-N 2.84Å; V231-G235 VanDerWaalsContact O-N 3.11Å; V231-L288 HydrophobicContact CB-CD2 3.92Å; V231-L288 HydrophobicContact CG1-CD2 3.77Å; V231-L288 HydrophobicContact CG1-CG 4.14Å
232C92.1Very high90Very high0 Ų035.6 Ų35.60%017%0.173CC..Hα-helixtrans-62.4-49.6170.6-1650000111.6F187 W228 V230 G235 Y236 L288F187-C232 HydrophobicContact CE2-CB 4.41Å; W228-C232 HydrophobicContact CE3-CB 4.19Å; W228-C232 HydrophobicContact CH2-CB 3.78Å; W228-C232 VanDerWaalsContact CH2-SG 3.55Å; W228-C232 HydrophobicContact CZ2-CB 4.3Å; W228-C232 HydrophobicContact CZ3-CB 3.75Å; W228-C232 WeakPolarHBondContact O-CB 3.41Å; W228-C232 PolarHBondContact O-N 3.31Å; V230-C232 VanDerWaalsContact C-N 3.29Å; V230-C232 PolarHBondContact O-N 2.89Å; C232-G235 WeakPolarHBondContact O-CA 3.49Å; C232-G235 PolarHBondContact O-N 3.06Å; C232-G235 VanDerWaalsContact O-N 3.1Å; C232-Y236 WeakPolarHBondContact O-CD2 3.49Å; C232-Y236 PolarHBondContact O-N 3.42Å; C232-L288 HydrophobicContact CB-CD1 4.33Å; C232-L288 HydrophobicContact CB-CD2 4.39Å
233A92.8Very high90.1Very high0 Ų036.1 Ų36.10%018%0.175CC..Hα-helixtrans-56.6-51.2177.700000113F187 M190 F222 F223 A229 V230 G235 Y236 F237F187-A233 HydrophobicContact CD2-CB 4.08Å; M190-A233 HydrophobicContact CE-CB 3.87Å; M190-A233 HydrophobicContact SD-CB 3.63Å; F222-A233 HydrophobicContact CE1-CB 3.52Å; F222-A233 HydrophobicContact CZ-CB 4.01Å; F223-A233 HydrophobicContact CE1-CB 4.23Å; A229-A233 WeakPolarHBondContact O-CB 3.45Å; A229-A233 PolarHBondContact O-N 3.46Å; V230-A233 WeakPolarHBondContact O-CB 3.23Å; V230-A233 PolarHBondContact O-N 3.18Å; A233-G235 VanDerWaalsContact C-N 3.25Å; A233-G235 PolarHBondContact O-N 2.85Å; A233-Y236 PolarHBondContact O-N 2.96Å; A233-F237 WeakPolarHBondContact O-CB 3.39Å; A233-F237 PolarHBondContact O-N 3.07Å
234R89.9Confident90.2Very high74 Ų7435 Ų3528%0.27917%0.17SC..Hα-helixtrans-53.7-44.8173.3-70.5175.8-176.3-173.83.6110.9F223 V230 F237 Y238F223-R234 HydrophobicContact CD1-CG 3.71Å; F223-R234 HydrophobicContact CE1-CG 4.07Å; F223-R234 VanDerWaalsContact O-CZ 3.32Å; F223-R234 PolarHBondContact O-NE 2.87Å; F223-R234 VanDerWaalsContact O-NE 3.12Å; F223-R234 PolarHBondContact O-NH2 3.18Å; V230-R234 HydrophobicContact CG1-CG 4.37Å; V230-R234 WeakPolarHBondContact O-CB 3.4Å; V230-R234 WeakPolarHBondContact O-CG 3.29Å; V230-R234 PolarHBondContact O-N 3.47Å; R234-F237 PolarHBondContact O-N 2.92Å; R234-Y238 HydrophobicContact CB-CE2 4.1Å; R234-Y238 WeakPolarHBondContact O-CD2 3.49Å; R234-Y238 PolarHBondContact O-N 3.49Å
235G90.4Very high90.1Very high0 Ų030.7 Ų30.70%015%0.149CC..Hα-helixtrans-57.9-51.6176.500000113.7V231 C232 A233 Y238 W239V231-G235 PolarHBondContact O-N 2.84Å; V231-G235 VanDerWaalsContact O-N 3.11Å; C232-G235 WeakPolarHBondContact O-CA 3.49Å; C232-G235 PolarHBondContact O-N 3.06Å; C232-G235 VanDerWaalsContact O-N 3.1Å; A233-G235 VanDerWaalsContact C-N 3.25Å; A233-G235 PolarHBondContact O-N 2.85Å; G235-Y238 PolarHBondContact O-N 2.89Å; G235-W239 WeakPolarHBondContact O-CB 3.37Å; G235-W239 PolarHBondContact O-N 2.86Å
236Y94.8Very high90.3Very high8 Ų829.6 Ų29.63%0.03114%0.137CC..Hα-helixtrans-67.4-33.8177.6-82.9-83.5000113.1F187 C232 A233 W239 L240 L363 R366 L367 Y370F187-Y236 AromaticContact CE2-CD2 3.81Å; F187-Y236 HydrophobicContact CE2-CD2 3.81Å; F187-Y236 HydrophobicContact CE2-CE2 4.36Å; F187-Y236 HydrophobicContact CE2-CG 4.41Å; F187-Y236 HydrophobicContact CZ-CD2 4.1Å; F187-Y236 HydrophobicContact CZ-CE2 4.25Å; C232-Y236 WeakPolarHBondContact O-CD2 3.49Å; C232-Y236 PolarHBondContact O-N 3.42Å; A233-Y236 PolarHBondContact O-N 2.96Å; Y236-W239 AromaticContact CD1-CE3 3.85Å; Y236-W239 HydrophobicContact CD1-CE3 3.85Å; Y236-W239 HydrophobicContact CD1-CZ3 4.25Å; Y236-W239 HydrophobicContact CE1-CE3 4.45Å; Y236-W239 PolarHBondContact O-N 3.03Å; Y236-L240 WeakPolarHBondContact O-CB 3.45Å; Y236-L240 PolarHBondContact O-N 3.28Å; Y236-L363 PolarHBondContact OH-O 2.79Å; Y236-R366 WeakPolarHBondContact OH-CB 3.4Å; Y236-R366 PolarHBondContact OH-NE 3.45Å; Y236-L367 HydrophobicContact CD1-CD1 4.39Å; Y236-L367 HydrophobicContact CD2-CD1 4.34Å; Y236-L367 HydrophobicContact CE2-CB 4.02Å; Y236-L367 HydrophobicContact CE2-CD1 4.46Å; Y236-L367 HydrophobicContact CG-CD1 4.3Å; Y236-Y370 HydrophobicContact CE1-CD2 4.41Å; Y236-Y370 HydrophobicContact CE1-CE2 4.18Å
237F93.5Very high90.4Very high13 Ų1320.9 Ų20.96%0.05710%0.099CC..Hα-helixtrans-59.6-52.8171.9-178.4-81.1000111M190 L194 L212 I215 R216 F223 A233 R234 W239 L240 H241M190-F237 HydrophobicContact SD-CB 4.48Å; L194-F237 HydrophobicContact CD1-CB 4.2Å; L194-F237 HydrophobicContact CD1-CD2 4.35Å; L194-F237 HydrophobicContact CD2-CD2 3.8Å; L194-F237 HydrophobicContact CD2-CE2 4.23Å; L212-F237 HydrophobicContact CB-CE2 4.4Å; L212-F237 HydrophobicContact CB-CZ 4.11Å; L212-F237 HydrophobicContact CD2-CE2 4.2Å; I215-F237 HydrophobicContact CG2-CE2 4.35Å; R216-F237 HydrophobicContact CB-CE2 4.2Å; R216-F237 HydrophobicContact CB-CZ 4.06Å; F223-F237 HydrophobicContact CE1-CB 4.49Å; F223-F237 HydrophobicContact CE2-CD2 4.32Å; F223-F237 HydrophobicContact CZ-CB 4.23Å; F223-F237 AromaticContact CZ-CD2 3.8Å; F223-F237 HydrophobicContact CZ-CD2 3.8Å; F223-F237 HydrophobicContact CZ-CE2 4.5Å; F223-F237 HydrophobicContact CZ-CG 4.15Å; A233-F237 WeakPolarHBondContact O-CB 3.39Å; A233-F237 PolarHBondContact O-N 3.07Å; R234-F237 PolarHBondContact O-N 2.92Å; F237-W239 VanDerWaalsContact C-N 3.34Å; F237-W239 PolarHBondContact O-N 3.09Å; F237-L240 PolarHBondContact O-N 3.06Å; F237-H241 VanDerWaalsContact O-CB 3.23Å; F237-H241 WeakPolarHBondContact O-CB 3.39Å; F237-H241 PolarHBondContact O-N 3.14Å
238Y90.3Very high90.2Very high37 Ų3719.1 Ų19.115%0.1459%0.086CC..Hα-helixtrans-64.5-37.7177.8-62.1-44.8000112.5R234 G235 L242 I280 H284 L789R234-Y238 HydrophobicContact CB-CE2 4.1Å; R234-Y238 WeakPolarHBondContact O-CD2 3.49Å; R234-Y238 PolarHBondContact O-N 3.49Å; G235-Y238 PolarHBondContact O-N 2.89Å; Y238-L242 WeakPolarHBondContact O-CB 3.14Å; Y238-L242 PolarHBondContact O-N 3.36Å; Y238-I280 HydrophobicContact CD2-CG2 4Å; Y238-I280 HydrophobicContact CE2-CG2 4.43Å; Y238-H284 AromaticContact CD2-CE1 3.92Å; Y238-H284 AromaticContact CE2-CE1 3.85Å; Y238-H284 AromaticContact CE2-NE2 3.9Å; Y238-L789 HydrophobicContact CE1-CD1 3.64Å
239W93.8Very high89.7Confident19 Ų1917.3 Ų17.37%0.0728%0.08CC..Hα-helixtrans-61.4-53.4176.4167.464.3000112.1F138 G235 Y236 F237 H241 L242 H243 V281 L367 Y370 Q374F138-W239 HydrophobicContact CE1-CH2 4.46Å; F138-W239 AromaticContact CE2-CH2 3.8Å; F138-W239 HydrophobicContact CE2-CH2 3.8Å; F138-W239 AromaticContact CZ-CH2 3.6Å; F138-W239 HydrophobicContact CZ-CH2 3.6Å; F138-W239 HydrophobicContact CZ-CZ2 4.38Å; F138-W239 HydrophobicContact CZ-CZ3 4.43Å; G235-W239 WeakPolarHBondContact O-CB 3.37Å; G235-W239 PolarHBondContact O-N 2.86Å; Y236-W239 AromaticContact CD1-CE3 3.85Å; Y236-W239 HydrophobicContact CD1-CE3 3.85Å; Y236-W239 HydrophobicContact CD1-CZ3 4.25Å; Y236-W239 HydrophobicContact CE1-CE3 4.45Å; Y236-W239 PolarHBondContact O-N 3.03Å; F237-W239 VanDerWaalsContact C-N 3.34Å; F237-W239 PolarHBondContact O-N 3.09Å; W239-H241 VanDerWaalsContact C-N 3.32Å; W239-H241 PolarHBondContact O-N 2.64Å; W239-L242 PolarHBondContact O-N 3.31Å; W239-H243 HydrophobicContact CZ2-CB 4.49Å; W239-H243 VanDerWaalsContact O-CB 3.31Å; W239-H243 WeakPolarHBondContact O-CB 3.45Å; W239-H243 PolarHBondContact O-N 3.19Å; W239-V281 HydrophobicContact CB-CG1 3.77Å; W239-V281 HydrophobicContact CB-CG2 4.23Å; W239-V281 HydrophobicContact CG-CG1 4.38Å; W239-L367 HydrophobicContact CB-CD1 3.8Å; W239-L367 HydrophobicContact CG-CD1 4.37Å; W239-Y370 AromaticContact CD2-CD2 3.63Å; W239-Y370 HydrophobicContact CD2-CD2 3.63Å; W239-Y370 HydrophobicContact CD2-CE2 4.21Å; W239-Y370 HydrophobicContact CD2-CG 4.43Å; W239-Y370 AromaticContact CE2-CD2 3.35Å; W239-Y370 AromaticContact CE2-CE2 3.87Å; W239-Y370 AromaticContact CE2-CG 3.85Å; W239-Y370 HydrophobicContact CE3-CD2 4.08Å; W239-Y370 HydrophobicContact CE3-CE2 4.25Å; W239-Y370 HydrophobicContact CG-CD2 4.16Å; W239-Y370 AromaticContact CH2-CD2 3.96Å; W239-Y370 HydrophobicContact CH2-CD2 3.96Å; W239-Y370 AromaticContact CH2-CE2 3.57Å; W239-Y370 HydrophobicContact CH2-CE2 3.57Å; W239-Y370 AromaticContact CZ2-CD2 3.54Å; W239-Y370 HydrophobicContact CZ2-CD2 3.54Å; W239-Y370 AromaticContact CZ2-CE2 3.56Å; W239-Y370 HydrophobicContact CZ2-CE2 3.56Å; W239-Y370 HydrophobicContact CZ2-CG 4.11Å; W239-Y370 HydrophobicContact CZ3-CD2 4.22Å; W239-Y370 AromaticContact CZ3-CE2 3.94Å; W239-Y370 HydrophobicContact CZ3-CE2 3.94Å; W239-Y370 AromaticContact NE1-CD2 3.74Å; W239-Y370 AromaticContact NE1-CG 3.79Å; W239-Q374 VanDerWaalsContact CD1-NE2 3.33Å
240L93.8Very high88.5Confident6 Ų617.1 Ų17.13%0.0318%0.078CC..Hα-helixtrans-70-33.1-175.7-168.267.7000111.4F138 L194 Y198 F208 Y236 F237 H243 A244F138-L240 HydrophobicContact CZ-CD1 4.31Å; L194-L240 HydrophobicContact CB-CD2 3.82Å; Y198-L240 HydrophobicContact CD2-CD1 3.74Å; Y198-L240 HydrophobicContact CD2-CD2 4.43Å; Y198-L240 HydrophobicContact CD2-CG 4.01Å; Y198-L240 HydrophobicContact CE2-CD1 4.02Å; Y198-L240 HydrophobicContact CG-CD1 4.06Å; Y198-L240 HydrophobicContact CG-CD2 4.43Å; Y198-L240 HydrophobicContact CG-CG 4.43Å; F208-L240 HydrophobicContact CZ-CG 4.48Å; Y236-L240 WeakPolarHBondContact O-CB 3.45Å; Y236-L240 PolarHBondContact O-N 3.28Å; F237-L240 PolarHBondContact O-N 3.06Å; L240-H243 PolarHBondContact O-N 3.02Å; L240-A244 VanDerWaalsContact O-CB 3.28Å; L240-A244 WeakPolarHBondContact O-CB 3.17Å; L240-A244 PolarHBondContact O-N 2.94Å
241H90.4Very high87Confident62 Ų6219.3 Ų19.329%0.2879%0.089SC..Hα-helixtrans-59.2-48171.7-175.9-165.8000111.7W205 L212 F237 W239 R245W205-H241 AromaticContact CH2-CD2 3.5Å; W205-H241 AromaticContact CH2-NE2 3.41Å; W205-H241 WeakPolarHBondContact CH2-NE2 3.27Å; W205-H241 AromaticContact CZ2-NE2 4Å; L212-H241 HydrophobicContact CD1-CB 3.56Å; L212-H241 WeakPolarHBondContact CD1-CD2 3.43Å; L212-H241 VanDerWaalsContact CD1-CG 3.42Å; F237-H241 VanDerWaalsContact O-CB 3.23Å; F237-H241 WeakPolarHBondContact O-CB 3.39Å; F237-H241 PolarHBondContact O-N 3.14Å; W239-H241 VanDerWaalsContact C-N 3.32Å; W239-H241 PolarHBondContact O-N 2.64Å; H241-R245 PolarHBondContact O-N 3.46Å; H241-R245 VanDerWaalsContact O-N 3.07Å
242L89.4Confident85.3Confident7 Ų722.2 Ų22.24%0.03710%0.099CC..Hα-helixtrans-67.8-39.7175.2176.959000112.3Y238 W239 R245 C246 P274 A277 A278 Q374 L378Y238-L242 WeakPolarHBondContact O-CB 3.14Å; Y238-L242 PolarHBondContact O-N 3.36Å; W239-L242 PolarHBondContact O-N 3.31Å; L242-R245 WeakPolarHBondContact O-CA 3.18Å; L242-R245 WeakPolarHBondContact O-CB 3.31Å; L242-R245 PolarHBondContact O-N 2.93Å; L242-R245 VanDerWaalsContact O-N 3.08Å; L242-C246 PolarHBondContact O-N 2.66Å; L242-C246 PolarHBondContact O-SG 2.67Å; L242-C246 VanDerWaalsContact O-SG 3.37Å; L242-P274 HydrophobicContact CD1-CB 3.8Å; L242-A277 HydrophobicContact CD1-CB 4.38Å; L242-A277 HydrophobicContact CD2-CB 4.12Å; L242-A278 VanDerWaalsContact CD2-CA 3.46Å; L242-A278 HydrophobicContact CD2-CB 3.66Å; L242-Q374 HydrophobicContact CD2-CB 4.4Å; L242-L378 HydrophobicContact CD1-CD1 4.34Å; L242-L378 HydrophobicContact CD2-CD1 4.2Å
243H91.8Very high82.9Confident32 Ų3228.9 Ų28.915%0.14813%0.13CC..Hα-helixtrans-60.7-49.3178.9-168.164.7000111.3F138 E141 Y198 W239 L240 R245 C246 I247F138-H243 AromaticContact CE1-CD2 3.99Å; F138-H243 AromaticContact CE1-NE2 3.9Å; E141-H243 IonicContact OE1-NE2 3.65Å; E141-H243 IonicContact OE2-CD2 3.46Å; E141-H243 IonicContact OE2-CE1 3.61Å; E141-H243 PolarHBondContact OE2-CE1 3.07Å; E141-H243 IonicContact OE2-NE2 3.93Å; E141-H243 PolarHBondContact OE2-NE2 3.49Å; Y198-H243 AromaticContact CZ-CD2 3.87Å; Y198-H243 PolarHBondContact OH-CD2 3.14Å; Y198-H243 VanDerWaalsContact OH-CD2 3.3Å; W239-H243 HydrophobicContact CZ2-CB 4.49Å; W239-H243 VanDerWaalsContact O-CB 3.31Å; W239-H243 WeakPolarHBondContact O-CB 3.45Å; W239-H243 PolarHBondContact O-N 3.19Å; L240-H243 PolarHBondContact O-N 3.02Å; H243-R245 VanDerWaalsContact C-N 3.27Å; H243-R245 PolarHBondContact O-N 3.26Å; H243-C246 PolarHBondContact O-N 3.08Å; H243-I247 WeakPolarHBondContact O-CG1 3.39Å; H243-I247 PolarHBondContact O-N 2.84Å
244A90.2Very high80.2Confident0 Ų036 Ų360%017%0.167CC..Hα-helixtrans-57.9-38.3171.100000112.4Y198 W205 F208 L240 F248Y198-A244 HydrophobicContact CD2-CB 4Å; Y198-A244 HydrophobicContact CE2-CB 3.77Å; W205-A244 HydrophobicContact CZ3-CB 4.3Å; F208-A244 HydrophobicContact CD1-CB 3.56Å; F208-A244 HydrophobicContact CE1-CB 3.11Å; F208-A244 HydrophobicContact CE2-CB 4.47Å; F208-A244 HydrophobicContact CG-CB 4.38Å; F208-A244 HydrophobicContact CZ-CB 3.64Å; L240-A244 VanDerWaalsContact O-CB 3.28Å; L240-A244 WeakPolarHBondContact O-CB 3.17Å; L240-A244 PolarHBondContact O-N 2.94Å; A244-F248 HydrophobicContact CB-CD2 3.94Å; A244-F248 HydrophobicContact CB-CE2 3.69Å; A244-F248 HydrophobicContact CB-CZ 4.03Å; A244-F248 WeakPolarHBondContact O-CA 3.27Å; A244-F248 WeakPolarHBondContact O-CB 3.31Å; A244-F248 WeakPolarHBondContact O-CG 3.42Å; A244-F248 PolarHBondContact O-N 3.25Å
245R84.8Confident77.4Confident31 Ų3136.4 Ų36.412%0.11719%0.187CC..Hα-helixtrans-64.6-41.9177.1-173.547.4160.8-166.8-13.5112W205 H241 L242 H243 G249W205-R245 VanDerWaalsContact CD1-NH1 3.35Å; W205-R245 HydrophobicContact CE3-CB 4.29Å; W205-R245 HydrophobicContact CH2-CB 3.77Å; W205-R245 HydrophobicContact CH2-CG 4.1Å; W205-R245 VanDerWaalsContact CZ3-CA 3.45Å; W205-R245 HydrophobicContact CZ3-CB 3.53Å; W205-R245 HydrophobicContact CZ3-CG 4.19Å; W205-R245 VanDerWaalsContact NE1-NH1 3.18Å; H241-R245 PolarHBondContact O-N 3.46Å; H241-R245 VanDerWaalsContact O-N 3.07Å; L242-R245 WeakPolarHBondContact O-CA 3.18Å; L242-R245 WeakPolarHBondContact O-CB 3.31Å; L242-R245 PolarHBondContact O-N 2.93Å; L242-R245 VanDerWaalsContact O-N 3.08Å; H243-R245 VanDerWaalsContact C-N 3.27Å; H243-R245 PolarHBondContact O-N 3.26Å; R245-G249 PolarHBondContact NH1-O 3.13Å; R245-G249 VanDerWaalsContact O-CA 3.24Å; R245-G249 WeakPolarHBondContact O-CA 3.32Å; R245-G249 PolarHBondContact O-N 3.49Å
246C87.5Confident74.3Confident6 Ų641.6 Ų41.64%0.04122%0.223CC..Hα-helixtrans-65.8-49.7175.5-68.90000111.9L242 H243 W611 W613L242-C246 PolarHBondContact O-N 2.66Å; L242-C246 PolarHBondContact O-SG 2.67Å; L242-C246 VanDerWaalsContact O-SG 3.37Å; H243-C246 PolarHBondContact O-N 3.08Å; C246-W611 HydrophobicContact CB-CD2 4Å; C246-W611 HydrophobicContact CB-CE3 4.37Å; C246-W611 HydrophobicContact CB-CH2 4.04Å; C246-W611 HydrophobicContact CB-CZ2 3.65Å; C246-W611 HydrophobicContact CB-CZ3 4.38Å; C246-W611 VanDerWaalsContact O-CE3 3.28Å; C246-W611 VanDerWaalsContact SG-CZ2 3.6Å; C246-W613 PolarHBondContact O-NE1 3.23Å
247I87.2Confident71Confident8 Ų846 Ų464%0.04125%0.25CS..Hα-helixtrans-76.5-40.3-174.4-60.1-62.8000112.7Y202 H243 W611Y202-I247 HydrophobicContact CE2-CG2 4.45Å; Y202-I247 WeakPolarHBondContact OH-CG2 3.23Å; H243-I247 WeakPolarHBondContact O-CG1 3.39Å; H243-I247 PolarHBondContact O-N 2.84Å; I247-W611 HydrophobicContact CD1-CG 4.31Å
248F84.3Confident67.7Low5 Ų550.6 Ų50.62%0.02228%0.284CS..Hα-helixtrans-86.9-20.5-178.3-50.9-10000112.5Y198 Y202 C203 W205 F208 A244Y198-F248 HydrophobicContact CD2-CE1 4.43Å; Y198-F248 HydrophobicContact CD2-CE2 4.36Å; Y198-F248 AromaticContact CD2-CZ 3.65Å; Y198-F248 HydrophobicContact CD2-CZ 3.65Å; Y198-F248 AromaticContact CE2-CE1 3.75Å; Y198-F248 HydrophobicContact CE2-CE1 3.75Å; Y198-F248 HydrophobicContact CE2-CE2 4.32Å; Y198-F248 AromaticContact CE2-CZ 3.4Å; Y198-F248 HydrophobicContact CE2-CZ 3.4Å; Y198-F248 VanDerWaalsContact CE2-CZ 3.4Å; Y198-F248 HydrophobicContact CG-CZ 4.33Å; Y198-F248 AromaticContact CZ-CE1 3.86Å; Y198-F248 AromaticContact CZ-CZ 3.9Å; Y202-F248 AromaticContact CD2-CE1 3.53Å; Y202-F248 HydrophobicContact CD2-CE1 3.53Å; Y202-F248 AromaticContact CD2-CZ 3.9Å; Y202-F248 HydrophobicContact CD2-CZ 3.9Å; Y202-F248 AromaticContact CE2-CE1 3.67Å; Y202-F248 HydrophobicContact CE2-CE1 3.67Å; Y202-F248 HydrophobicContact CE2-CZ 4.42Å; Y202-F248 HydrophobicContact CG-CE1 4.01Å; Y202-F248 HydrophobicContact CG-CZ 4.36Å; C203-F248 HydrophobicContact CB-CD1 4.49Å; C203-F248 VanDerWaalsContact N-CD1 3.26Å; C203-F248 VanDerWaalsContact N-CE1 3.33Å; W205-F248 HydrophobicContact CB-CB 4.29Å; F208-F248 HydrophobicContact CB-CD2 4.4Å; F208-F248 HydrophobicContact CB-CE2 3.99Å; F208-F248 HydrophobicContact CD1-CE2 4.16Å; F208-F248 HydrophobicContact CD2-CE2 4.27Å; F208-F248 AromaticContact CG-CE2 3.86Å; F208-F248 HydrophobicContact CG-CE2 3.86Å; A244-F248 HydrophobicContact CB-CD2 3.94Å; A244-F248 HydrophobicContact CB-CE2 3.69Å; A244-F248 HydrophobicContact CB-CZ 4.03Å; A244-F248 WeakPolarHBondContact O-CA 3.27Å; A244-F248 WeakPolarHBondContact O-CB 3.31Å; A244-F248 WeakPolarHBondContact O-CG 3.42Å; A244-F248 PolarHBondContact O-N 3.25Å
249G76.6Confident64.6Low1 Ų154.8 Ų54.81%0.0131%0.308CS..  trans68.1-156-176.500000113.4R245R245-G249 PolarHBondContact NH1-O 3.13Å; R245-G249 VanDerWaalsContact O-CA 3.24Å; R245-G249 WeakPolarHBondContact O-CA 3.32Å; R245-G249 PolarHBondContact O-N 3.49Å
250A66.3Low61.3Low4 Ų463 Ų633%0.03335%0.348CS..  trans-110.883.9166.200000110.6F252 S906A250-F252 HydrophobicContact CB-CD2 3.96Å; A250-F252 HydrophobicContact CB-CE2 3.6Å; A250-F252 HydrophobicContact CB-CZ 4.36Å; A250-F252 PolarHBondContact O-N 3.03Å; A250-S906 WeakPolarHBondContact CB-OG 3.27Å
251N58.7Low58.2Low48 Ų4865.1 Ų65.126%0.25736%0.363SS..  trans-70.385.3157.2-70.9-22.1000108.3C203 E253C203-N251 PolarHBondContact O-ND2 3.02Å; N251-E253 PolarHBondContact O-N 3.28Å
252F52.9Low55.2Low106 Ų10670.7 Ų70.747%0.46540%0.395SS..  trans-6490.5145.2-56.3-87.9000105.6A250 L254 S905A250-F252 HydrophobicContact CB-CD2 3.96Å; A250-F252 HydrophobicContact CB-CE2 3.6Å; A250-F252 HydrophobicContact CB-CZ 4.36Å; A250-F252 PolarHBondContact O-N 3.03Å; F252-L254 PolarHBondContact O-N 2.74Å; F252-S905 VanDerWaalsContact CE2-OG 3.26Å; F252-S905 WeakPolarHBondContact CE2-OG 3.42Å
253E42.5Very low52.3Low140 Ų14074.1 Ų74.165%0.65442%0.416SS*.  trans-54.5132.3160.2-68.6-178.6166.600106.4N251 A255N251-E253 PolarHBondContact O-N 3.28Å; E253-A255 PolarHBondContact O-N 3.23Å
254L35.1Very low49.1Very low148 Ų14882.1 Ų82.178%0.77545%0.454SS*.  trans-57.1110.6-177.5-86.8132.9000108.5F252 S256F252-L254 PolarHBondContact O-N 2.74Å; L254-S256 PolarHBondContact O-N 2.85Å; L254-S256 PolarHBondContact O-OG 3.41Å
255A30.9Very low46.1Very low84 Ų8486.7 Ų86.769%0.69448%0.478SS*.  trans-71.267.8170.800000109.3E253 T257E253-A255 PolarHBondContact O-N 3.23Å; A255-T257 PolarHBondContact O-N 3.45Å
256S24.6Very low43.3Very low108 Ų10893.4 Ų93.476%0.75551%0.512SS*.  trans-75.2216653.90000111.8L254 S258L254-S256 PolarHBondContact O-N 2.85Å; L254-S256 PolarHBondContact O-OG 3.41Å; S256-S258 VanDerWaalsContact C-N 3.25Å; S256-S258 PolarHBondContact O-N 2.86Å
257T26Very low40.5Very low100 Ų100101.3 Ų101.361%0.61355%0.546SS*.SBendtrans-54.693.714928.50000109.4A255 L259A255-T257 PolarHBondContact O-N 3.45Å; T257-L259 VanDerWaalsContact C-N 3.31Å; T257-L259 PolarHBondContact O-N 2.92Å
258S24Very low37.8Very low110 Ų110106.1 Ų106.177%0.76958%0.579SS**  trans-55.892.6165.9510000110.1S256 Q260S256-S258 VanDerWaalsContact C-N 3.25Å; S256-S258 PolarHBondContact O-N 2.86Å; S258-Q260 VanDerWaalsContact C-N 3.25Å; S258-Q260 PolarHBondContact O-N 3.4Å
259L26.8Very low35.3Very low125 Ų125109 Ų10965%0.65460%0.598SS**  trans-77.975.6-172.5-14484.1000110.8T257 S261T257-L259 VanDerWaalsContact C-N 3.31Å; T257-L259 PolarHBondContact O-N 2.92Å; L259-S261 VanDerWaalsContact C-N 3.26Å; L259-S261 PolarHBondContact O-N 2.89Å
260Q23.9Very low33.3Very low192 Ų192112.8 Ų112.890%0.89762%0.622SS**  trans-78.778.8161.4-73.8-172.7-21.500109.1S258S258-Q260 VanDerWaalsContact C-N 3.25Å; S258-Q260 PolarHBondContact O-N 3.4Å
261S27.8Very low32.1Very low51 Ų51116.1 Ų116.136%0.35764%0.643SS.*  trans-147117.9166.656.10000109.7L259 T263L259-S261 VanDerWaalsContact C-N 3.26Å; L259-S261 PolarHBondContact O-N 2.89Å; S261-T263 WeakPolarHBondContact CB-OG1 3.31Å; S261-T263 PolarHBondContact O-N 3.49Å; S261-T263 PolarHBondContact O-OG1 3.35Å; S261-T263 PolarHBondContact OG-OG1 2.89Å
262D27.4Very low31.7Very low178 Ų178115.8 Ų115.895%0.95264%0.643SS**  trans-75.830175.3-64.4-62.2000112.7
263T28.4Very low32.3Very low80 Ų80111.9 Ų111.949%0.49163%0.629SS.*  trans-68.8128.9162.734.40000108.5S261 D265S261-T263 WeakPolarHBondContact CB-OG1 3.31Å; S261-T263 PolarHBondContact O-N 3.49Å; S261-T263 PolarHBondContact O-OG1 3.35Å; S261-T263 PolarHBondContact OG-OG1 2.89Å; T263-D265 VanDerWaalsContact CB-OD2 3.23Å; T263-D265 WeakPolarHBondContact CB-OD2 3.43Å; T263-D265 PolarHBondContact O-N 3.02Å; T263-D265 PolarHBondContact OG1-OD2 2.93Å
264H25.9Very low33.8Very low200 Ų200106.1 Ų106.193%0.92660%0.604SS**  trans-71.263.8166.9-87.4-79.9000109.8M266H264-M266 PolarHBondContact O-N 3.36Å
265D27.2Very low35.7Very low95 Ų9599.2 Ų99.251%0.50857%0.567SS.*  trans-68.3100179.5-75.5-45.4000109.3T263 F267T263-D265 VanDerWaalsContact CB-OD2 3.23Å; T263-D265 WeakPolarHBondContact CB-OD2 3.43Å; T263-D265 PolarHBondContact O-N 3.02Å; T263-D265 PolarHBondContact OG1-OD2 2.93Å; D265-F267 VanDerWaalsContact C-N 3.32Å; D265-F267 PolarHBondContact O-N 3.1Å
266M26.2Very low37.7Very low172 Ų17297.5 Ų97.585%0.84755%0.545SS*.  trans-60.195.1170.8-178.5176.168.300108.1H264H264-M266 PolarHBondContact O-N 3.36Å
267F28.5Very low40.2Very low172 Ų17293.3 Ų93.375%0.75452%0.517SS*.  trans-44.1130.8171-78.7-88.2000109D265D265-F267 VanDerWaalsContact C-N 3.32Å; D265-F267 PolarHBondContact O-N 3.1Å
268P30.1Very low43Very low110 Ų11088.5 Ų88.571%0.71449%0.487SS*.PPolyproline II helixtrans-55.9134179.223.2-33000108.7
269P32Very low45.8Very low66 Ų6684.6 Ų84.643%0.42946%0.459SS..PPolyproline II helixtrans-57.3148.9-173.522.7-33.2000110.7
270P34Very low48.4Very low80 Ų8079.7 Ų79.752%0.51943%0.433SS..PPolyproline II helixtrans-53.6134.2-17922-32.5000109.8T976P270-T976 HydrophobicContact CG-CG2 4.18Å
271P40.5Very low51.3Low74 Ų7470.5 Ų70.548%0.48139%0.39SS..PPolyproline II helixtrans-63.8142.2-165.225-35.1000111.5S273P271-S273 PolarHBondContact O-N 3.48Å
272V50.8Low54.3Low41 Ų4169.7 Ų69.725%0.24838%0.379CS..  trans-34.7125.6167.7-173.90000109.9P274 L789V272-P274 WeakPolarHBondContact O-CD 3.25Å; V272-L789 HydrophobicContact CB-CD2 4.46Å; V272-L789 HydrophobicContact CG1-CD2 4.06Å; V272-L789 HydrophobicContact CG2-CB 4.37Å; V272-L789 HydrophobicContact CG2-CD2 3.75Å
273S65.5Low57Low24 Ų2466.1 Ų66.117%0.16836%0.358CS..  trans-48.8119.9-177.1-172.30000109.9P271 L275 H276 A277P271-S273 PolarHBondContact O-N 3.48Å; S273-L275 PolarHBondContact O-N 3.32Å; S273-H276 WeakPolarHBondContact O-CA 3.44Å; S273-H276 WeakPolarHBondContact O-CB 3.41Å; S273-H276 PolarHBondContact O-N 3.33Å; S273-A277 PolarHBondContact O-N 3.05Å
274P74.5Confident59.7Low19 Ų1963.4 Ų63.412%0.12334%0.34CS..Hα-helixtrans-55.7-27-176.4-3137.7000113L242 V272 A278 F907L242-P274 HydrophobicContact CD1-CB 3.8Å; V272-P274 WeakPolarHBondContact O-CD 3.25Å; P274-A278 PolarHBondContact O-N 3.44Å; P274-F907 HydrophobicContact CB-CD2 4.25Å; P274-F907 HydrophobicContact CG-CD2 4.2Å
275L74.6Confident62.7Low3 Ų353.9 Ų53.92%0.01630%0.296CS..Hα-helixtrans-69.2-40.4172.8-157.374.8000113.6S273 A278 V279 L378 Y379 L382 K951S273-L275 PolarHBondContact O-N 3.32Å; L275-A278 WeakPolarHBondContact O-CB 3.44Å; L275-A278 PolarHBondContact O-N 3.27Å; L275-V279 WeakPolarHBondContact O-CG2 3.4Å; L275-V279 PolarHBondContact O-N 3.45Å; L275-L378 HydrophobicContact CD1-CB 3.48Å; L275-L378 VanDerWaalsContact CD1-CB 3.48Å; L275-Y379 HydrophobicContact CD1-CD1 4.35Å; L275-Y379 HydrophobicContact CD1-CD2 3.43Å; L275-Y379 VanDerWaalsContact CD1-CD2 3.43Å; L275-Y379 HydrophobicContact CD1-CE2 3.68Å; L275-Y379 HydrophobicContact CD1-CG 3.81Å; L275-Y379 HydrophobicContact CD2-CD1 4.04Å; L275-Y379 HydrophobicContact CD2-CD2 4.15Å; L275-Y379 HydrophobicContact CD2-CE1 3.62Å; L275-Y379 HydrophobicContact CD2-CE2 3.71Å; L275-Y379 HydrophobicContact CD2-CG 4.31Å; L275-Y379 VanDerWaalsContact CD2-CZ 3.44Å; L275-Y379 HydrophobicContact CG-CD2 3.92Å; L275-Y379 HydrophobicContact CG-CE1 4.41Å; L275-Y379 HydrophobicContact CG-CE2 3.59Å; L275-Y379 HydrophobicContact CG-CG 4.45Å; L275-L382 HydrophobicContact CB-CD1 4.25Å; L275-L382 HydrophobicContact CD1-CD1 3.68Å; L275-L382 HydrophobicContact CD2-CD1 3.46Å; L275-L382 VanDerWaalsContact CD2-CD1 3.46Å; L275-L382 HydrophobicContact CG-CD1 4.01Å; L275-K951 HydrophobicContact CD2-CD 3.91Å
276H72.3Confident65.7Low47 Ų4752.1 Ų52.122%0.21828%0.284CS..Hα-helixtrans-66.5-42.5175.7-176.386.7000110.1S273 A278 V279 I280S273-H276 WeakPolarHBondContact O-CA 3.44Å; S273-H276 WeakPolarHBondContact O-CB 3.41Å; S273-H276 PolarHBondContact O-N 3.33Å; H276-A278 VanDerWaalsContact C-N 3.32Å; H276-A278 PolarHBondContact O-N 3.48Å; H276-V279 PolarHBondContact O-N 2.94Å; H276-I280 VanDerWaalsContact CD2-CD1 3.44Å; H276-I280 WeakPolarHBondContact CD2-CD1 3.27Å; H276-I280 WeakPolarHBondContact NE2-CD1 3.35Å; H276-I280 WeakPolarHBondContact O-CG1 3.38Å; H276-I280 PolarHBondContact O-N 2.84Å
277A77.2Confident68.6Low20 Ų2047.7 Ų47.717%0.16527%0.267CS..Hα-helixtrans-57.2-42.5170.800000112.2L242 S273 V279 I280 V281L242-A277 HydrophobicContact CD1-CB 4.38Å; L242-A277 HydrophobicContact CD2-CB 4.12Å; S273-A277 PolarHBondContact O-N 3.05Å; A277-V279 PolarHBondContact O-N 3.13Å; A277-I280 WeakPolarHBondContact O-CB 3.32Å; A277-I280 PolarHBondContact O-N 3.45Å; A277-V281 WeakPolarHBondContact O-CG2 3.46Å; A277-V281 PolarHBondContact O-N 3.48Å
278A85Confident71.6Confident0 Ų039.7 Ų39.70%023%0.232CC..Hα-helixtrans-62.5-44.1177.500000112.5L242 P274 L275 H276 V281 R282 Q374 T375 L378L242-A278 VanDerWaalsContact CD2-CA 3.46Å; L242-A278 HydrophobicContact CD2-CB 3.66Å; P274-A278 PolarHBondContact O-N 3.44Å; L275-A278 WeakPolarHBondContact O-CB 3.44Å; L275-A278 PolarHBondContact O-N 3.27Å; H276-A278 VanDerWaalsContact C-N 3.32Å; H276-A278 PolarHBondContact O-N 3.48Å; A278-V281 PolarHBondContact O-N 3.23Å; A278-R282 WeakPolarHBondContact O-CB 3.34Å; A278-R282 PolarHBondContact O-N 3.05Å; A278-Q374 HydrophobicContact CB-CB 4.39Å; A278-T375 PolarHBondContact O-OG1 2.86Å; A278-L378 HydrophobicContact CB-CD1 3.6Å
279V83.7Confident74.4Confident28 Ų2835.8 Ų35.817%0.1721%0.206CC..Hα-helixtrans-63.3-40.9175.6172.80000110.9L275 H276 A277 R282 M283 T375 Y379L275-V279 WeakPolarHBondContact O-CG2 3.4Å; L275-V279 PolarHBondContact O-N 3.45Å; H276-V279 PolarHBondContact O-N 2.94Å; A277-V279 PolarHBondContact O-N 3.13Å; V279-R282 PolarHBondContact O-N 3.06Å; V279-M283 HydrophobicContact CG1-CG 4.39Å; V279-M283 HydrophobicContact CG1-SD 3.91Å; V279-M283 WeakPolarHBondContact O-CB 3.36Å; V279-M283 VanDerWaalsContact O-CG 3.27Å; V279-M283 WeakPolarHBondContact O-CG 3.39Å; V279-M283 PolarHBondContact O-N 3.07Å; V279-T375 HydrophobicContact CG2-CG2 4.18Å; V279-Y379 HydrophobicContact CG2-CE2 4.14Å
280I80.7Confident77.1Confident21 Ų2138.2 Ų38.211%0.10821%0.21CC..Hα-helixtrans-58.8-47.4172.7-73.9171.5000111.3Y238 H276 A277 M283 H284 L785Y238-I280 HydrophobicContact CD2-CG2 4Å; Y238-I280 HydrophobicContact CE2-CG2 4.43Å; H276-I280 VanDerWaalsContact CD2-CD1 3.44Å; H276-I280 WeakPolarHBondContact CD2-CD1 3.27Å; H276-I280 WeakPolarHBondContact NE2-CD1 3.35Å; H276-I280 WeakPolarHBondContact O-CG1 3.38Å; H276-I280 PolarHBondContact O-N 2.84Å; A277-I280 WeakPolarHBondContact O-CB 3.32Å; A277-I280 PolarHBondContact O-N 3.45Å; I280-M283 PolarHBondContact O-N 3.3Å; I280-H284 WeakPolarHBondContact CG2-ND1 3.24Å; I280-H284 PolarHBondContact O-N 3.49Å; I280-H284 PolarHBondContact O-ND1 3.26Å; I280-L785 HydrophobicContact CD1-CD2 4.02Å
281V86.2Confident79.7Confident0 Ų039.8 Ų39.80%021%0.209CC..Hα-helixtrans-62.1-47.4-180171.20000110.7W239 A277 A278 M283 H284 G285 L367W239-V281 HydrophobicContact CB-CG1 3.77Å; W239-V281 HydrophobicContact CB-CG2 4.23Å; W239-V281 HydrophobicContact CG-CG1 4.38Å; A277-V281 WeakPolarHBondContact O-CG2 3.46Å; A277-V281 PolarHBondContact O-N 3.48Å; A278-V281 PolarHBondContact O-N 3.23Å; V281-M283 VanDerWaalsContact C-N 3.32Å; V281-M283 PolarHBondContact O-N 3.36Å; V281-H284 PolarHBondContact O-N 3.1Å; V281-G285 PolarHBondContact O-N 3.03Å; V281-L367 HydrophobicContact CG1-CD1 3.99Å
282R89Confident81.9Confident34 Ų3436.8 Ų36.813%0.12819%0.188CC..Hα-helixtrans-57.9-42.6173.5175.8176157.6-886111.9A278 V279 G285 Q286 L368 E394A278-R282 WeakPolarHBondContact O-CB 3.34Å; A278-R282 PolarHBondContact O-N 3.05Å; V279-R282 PolarHBondContact O-N 3.06Å; R282-G285 PolarHBondContact O-N 3.35Å; R282-Q286 WeakPolarHBondContact O-CB 3.45Å; R282-Q286 PolarHBondContact O-N 3.25Å; R282-L368 HydrophobicContact CG-CD1 4.28Å; R282-E394 IonicContact CZ-OE1 3.13Å; R282-E394 IonicContact CZ-OE2 3.07Å; R282-E394 VanDerWaalsContact CZ-OE2 3.28Å; R282-E394 VanDerWaalsContact NE-CD 3.32Å; R282-E394 IonicContact NE-OE1 3.11Å; R282-E394 PolarHBondContact NE-OE1 2.75Å; R282-E394 IonicContact NE-OE2 3.17Å; R282-E394 PolarHBondContact NE-OE2 2.63Å; R282-E394 VanDerWaalsContact NE-OE2 3.13Å; R282-E394 VanDerWaalsContact NH2-CD 3.29Å; R282-E394 IonicContact NH2-OE1 2.77Å; R282-E394 PolarHBondContact NH2-OE1 2.87Å; R282-E394 IonicContact NH2-OE2 3.16Å; R282-E394 PolarHBondContact NH2-OE2 3.45Å
283M85.1Confident83.5Confident102 Ų10240.7 Ų40.750%0.50220%0.199SC..Hα-helixtrans-68.6-34.8178.3-76.2178.567.100113.1V279 I280 V281 T287V279-M283 HydrophobicContact CG1-CG 4.39Å; V279-M283 HydrophobicContact CG1-SD 3.91Å; V279-M283 WeakPolarHBondContact O-CB 3.36Å; V279-M283 VanDerWaalsContact O-CG 3.27Å; V279-M283 WeakPolarHBondContact O-CG 3.39Å; V279-M283 PolarHBondContact O-N 3.07Å; I280-M283 PolarHBondContact O-N 3.3Å; V281-M283 VanDerWaalsContact C-N 3.32Å; V281-M283 PolarHBondContact O-N 3.36Å; M283-T287 VanDerWaalsContact O-CB 3.26Å; M283-T287 WeakPolarHBondContact O-CB 3.46Å; M283-T287 PolarHBondContact O-N 3.46Å; M283-T287 PolarHBondContact O-OG1 3.1Å
284H85.2Confident84.4Confident24 Ų2444.2 Ų44.211%0.11122%0.215CC..Hα-helixtrans-62-53.4170.7-80.374.9000110.4Y238 I280 V281 Q286 T287 L288 L367Y238-H284 AromaticContact CD2-CE1 3.92Å; Y238-H284 AromaticContact CE2-CE1 3.85Å; Y238-H284 AromaticContact CE2-NE2 3.9Å; I280-H284 WeakPolarHBondContact CG2-ND1 3.24Å; I280-H284 PolarHBondContact O-N 3.49Å; I280-H284 PolarHBondContact O-ND1 3.26Å; V281-H284 PolarHBondContact O-N 3.1Å; H284-Q286 VanDerWaalsContact C-N 3.34Å; H284-Q286 PolarHBondContact O-N 3.28Å; H284-T287 PolarHBondContact O-N 2.86Å; H284-L288 WeakPolarHBondContact O-CB 3.29Å; H284-L288 WeakPolarHBondContact O-CD1 3.39Å; H284-L288 VanDerWaalsContact O-CG 3.25Å; H284-L288 WeakPolarHBondContact O-CG 3.34Å; H284-L288 PolarHBondContact O-N 3.11Å; H284-L367 HydrophobicContact CB-CD2 4.02Å
285G88.9Confident84.8Confident0 Ų045 Ų450%022%0.221CC..Hα-helixtrans-55.9-46.2176.700000112.6V281 R282 T287 L288 V289V281-G285 PolarHBondContact O-N 3.03Å; R282-G285 PolarHBondContact O-N 3.35Å; G285-T287 PolarHBondContact O-N 3.11Å; G285-L288 PolarHBondContact O-N 3.05Å; G285-V289 WeakPolarHBondContact O-CG2 3.36Å; G285-V289 PolarHBondContact O-N 3.17Å
286Q89.4Confident85.1Confident58 Ų5845 Ų4527%0.27122%0.221SC..Hα-helixtrans-64.8-39.9-179.9-161.2-166.976.300112R282 H284 K290 L368R282-Q286 WeakPolarHBondContact O-CB 3.45Å; R282-Q286 PolarHBondContact O-N 3.25Å; H284-Q286 VanDerWaalsContact C-N 3.34Å; H284-Q286 PolarHBondContact O-N 3.28Å; Q286-K290 HydrophobicContact CG-CD 4.22Å; Q286-K290 VanDerWaalsContact O-CB 3.31Å; Q286-K290 WeakPolarHBondContact O-CB 3.38Å; Q286-K290 VanDerWaalsContact O-CG 3.24Å; Q286-K290 WeakPolarHBondContact O-CG 3.49Å; Q286-K290 PolarHBondContact O-N 2.92Å; Q286-L368 HydrophobicContact CB-CD1 4Å
287T88.2Confident85.5Confident78 Ų7846 Ų4648%0.47923%0.226SC..Hα-helixtrans-66.2-45.3177.1-60.90000111.4M283 H284 G285 V289 K290 F291M283-T287 VanDerWaalsContact O-CB 3.26Å; M283-T287 WeakPolarHBondContact O-CB 3.46Å; M283-T287 PolarHBondContact O-N 3.46Å; M283-T287 PolarHBondContact O-OG1 3.1Å; H284-T287 PolarHBondContact O-N 2.86Å; G285-T287 PolarHBondContact O-N 3.11Å; T287-V289 PolarHBondContact O-N 3.35Å; T287-K290 PolarHBondContact O-N 2.57Å; T287-F291 WeakPolarHBondContact O-CB 3.4Å; T287-F291 PolarHBondContact O-N 3.34Å
288L90.3Very high85.7Confident4 Ų450.3 Ų50.32%0.02124%0.243CC..Hα-helixtrans-60.5-45177.2-69.5161.6000111.8W228 V231 C232 H284 G285 M292 L367W228-L288 HydrophobicContact CD2-CD2 4.25Å; W228-L288 HydrophobicContact CG-CD2 4.35Å; W228-L288 HydrophobicContact CZ2-CB 4.4Å; W228-L288 HydrophobicContact CZ2-CD2 3.9Å; W228-L288 VanDerWaalsContact NE1-CD2 3.35Å; V231-L288 HydrophobicContact CB-CD2 3.92Å; V231-L288 HydrophobicContact CG1-CD2 3.77Å; V231-L288 HydrophobicContact CG1-CG 4.14Å; C232-L288 HydrophobicContact CB-CD1 4.33Å; C232-L288 HydrophobicContact CB-CD2 4.39Å; H284-L288 WeakPolarHBondContact O-CB 3.29Å; H284-L288 WeakPolarHBondContact O-CD1 3.39Å; H284-L288 VanDerWaalsContact O-CG 3.25Å; H284-L288 WeakPolarHBondContact O-CG 3.34Å; H284-L288 PolarHBondContact O-N 3.11Å; G285-L288 PolarHBondContact O-N 3.05Å; L288-M292 WeakPolarHBondContact O-CB 3.31Å; L288-M292 WeakPolarHBondContact O-CG 3.48Å; L288-M292 PolarHBondContact O-N 2.59Å; L288-L367 HydrophobicContact CD1-CD2 3.8Å
289V90Very high85.2Confident29 Ų2955.2 Ų55.218%0.17626%0.264CS..Hα-helixtrans-67-43.7177.3172.40000111.6G285 T287 R293 L361 G364 L368G285-V289 WeakPolarHBondContact O-CG2 3.36Å; G285-V289 PolarHBondContact O-N 3.17Å; T287-V289 PolarHBondContact O-N 3.35Å; V289-R293 WeakPolarHBondContact O-CB 3.23Å; V289-R293 PolarHBondContact O-N 2.81Å; V289-L361 HydrophobicContact CG1-CD1 4.3Å; V289-G364 VanDerWaalsContact CG2-C 3.42Å; V289-L368 HydrophobicContact CB-CD2 4.39Å; V289-L368 HydrophobicContact CG2-CB 4.4Å; V289-L368 HydrophobicContact CG2-CD2 4.11Å
290K88.2Confident84.8Confident116 Ų11656 Ų5650%0.50427%0.267SS..Hα-helixtrans-58.5-49.3175-80.3169169.7174.20111.4Q286 T287 R293 L294Q286-K290 HydrophobicContact CG-CD 4.22Å; Q286-K290 VanDerWaalsContact O-CB 3.31Å; Q286-K290 WeakPolarHBondContact O-CB 3.38Å; Q286-K290 VanDerWaalsContact O-CG 3.24Å; Q286-K290 WeakPolarHBondContact O-CG 3.49Å; Q286-K290 PolarHBondContact O-N 2.92Å; T287-K290 PolarHBondContact O-N 2.57Å; K290-R293 PolarHBondContact O-N 3.15Å; K290-L294 WeakPolarHBondContact O-CG 3.34Å; K290-L294 PolarHBondContact O-N 3.43Å
291F88Confident84.5Confident113 Ų11361 Ų6150%0.49629%0.29SS..Hα-helixtrans-62-50.6179.9179-92.2000112.2W228 T287 R293 L294 C295W228-F291 AromaticContact CD1-CD1 3.78Å; T287-F291 WeakPolarHBondContact O-CB 3.4Å; T287-F291 PolarHBondContact O-N 3.34Å; F291-R293 VanDerWaalsContact C-N 3.33Å; F291-R293 PolarHBondContact O-N 2.71Å; F291-L294 PolarHBondContact O-N 3.25Å; F291-C295 PolarHBondContact O-N 2.86Å; F291-C295 PolarHBondContact O-SG 3.33Å
292M86.9Confident83.6Confident11 Ų1166.1 Ų66.15%0.05432%0.317CS..Hα-helixtrans-62.7-39.8178.6-75.7-57.2-52.100112W228 L288 C295 C296 E357 N360 L361W228-M292 HydrophobicContact CZ2-CG 4.36Å; L288-M292 WeakPolarHBondContact O-CB 3.31Å; L288-M292 WeakPolarHBondContact O-CG 3.48Å; L288-M292 PolarHBondContact O-N 2.59Å; M292-C295 PolarHBondContact O-N 3.26Å; M292-C296 PolarHBondContact O-N 3.01Å; M292-C296 PolarHBondContact O-SG 2.87Å; M292-E357 HydrophobicContact CE-CB 4.38Å; M292-E357 WeakPolarHBondContact CE-O 3.08Å; M292-N360 HydrophobicContact CE-CB 3.71Å; M292-N360 HydrophobicContact CG-CB 4.32Å; M292-N360 HydrophobicContact SD-CB 3.81Å; M292-L361 HydrophobicContact CB-CB 4.21Å; M292-L361 HydrophobicContact CB-CD1 3.79Å
293R83.6Confident82Confident123 Ų12370.9 Ų70.946%0.46434%0.335SS..Hα-helixtrans-59.4-47174.9178.8178.1169.6-144-17.3111.7V289 K290 F291 C295 C296 E297V289-R293 WeakPolarHBondContact O-CB 3.23Å; V289-R293 PolarHBondContact O-N 2.81Å; K290-R293 PolarHBondContact O-N 3.15Å; F291-R293 VanDerWaalsContact C-N 3.33Å; F291-R293 PolarHBondContact O-N 2.71Å; R293-C295 VanDerWaalsContact C-N 3.35Å; R293-C295 PolarHBondContact O-N 3.48Å; R293-C296 PolarHBondContact O-N 3.5Å; R293-E297 HydrophobicContact CG-CG 4.3Å; R293-E297 IonicContact CZ-OE1 2.66Å; R293-E297 IonicContact CZ-OE2 2.72Å; R293-E297 IonicContact NE-OE1 3.76Å; R293-E297 PolarHBondContact NE-OE1 3.23Å; R293-E297 IonicContact NE-OE2 3.19Å; R293-E297 IonicContact NH2-OE1 2.79Å; R293-E297 PolarHBondContact NH2-OE1 3.12Å; R293-E297 IonicContact NH2-OE2 3.52Å; R293-E297 WeakPolarHBondContact O-CB 3.27Å; R293-E297 WeakPolarHBondContact O-CG 3.25Å; R293-E297 PolarHBondContact O-N 2.93Å
294L85.3Confident80.5Confident99 Ų9969 Ų6952%0.51833%0.332SS..Hα-helixtrans-61.4-42.2177.6-71.8169.1000111.8K290 F291 C296 E297 Q298K290-L294 WeakPolarHBondContact O-CG 3.34Å; K290-L294 PolarHBondContact O-N 3.43Å; F291-L294 PolarHBondContact O-N 3.25Å; L294-C296 VanDerWaalsContact C-N 3.35Å; L294-C296 PolarHBondContact O-N 3.15Å; L294-E297 PolarHBondContact O-N 3.43Å; L294-Q298 WeakPolarHBondContact O-CB 3.47Å; L294-Q298 VanDerWaalsContact O-CG 3.3Å; L294-Q298 WeakPolarHBondContact O-CG 3.21Å; L294-Q298 PolarHBondContact O-N 2.9Å
295C83.8Confident78.4Confident36 Ų3671 Ų7124%0.24335%0.348CS..Hα-helixtrans-61.3-41.9175.5-64.90000112.2F291 M292 R293 K299F291-C295 PolarHBondContact O-N 2.86Å; F291-C295 PolarHBondContact O-SG 3.33Å; M292-C295 PolarHBondContact O-N 3.26Å; R293-C295 VanDerWaalsContact C-N 3.35Å; R293-C295 PolarHBondContact O-N 3.48Å; C295-K299 WeakPolarHBondContact O-CG 3.46Å; C295-K299 PolarHBondContact O-N 2.89Å; C295-K299 VanDerWaalsContact O-N 3.15Å
296C80.9Confident75.9Confident3 Ų375 Ų752%0.0237%0.373CS..Hα-helixtrans-66.1-45.6175.1-68.90000111.8M292 R293 L294 K299 L300 L353M292-C296 PolarHBondContact O-N 3.01Å; M292-C296 PolarHBondContact O-SG 2.87Å; R293-C296 PolarHBondContact O-N 3.5Å; L294-C296 VanDerWaalsContact C-N 3.35Å; L294-C296 PolarHBondContact O-N 3.15Å; C296-K299 PolarHBondContact O-N 3.11Å; C296-L300 WeakPolarHBondContact O-CB 3.49Å; C296-L300 WeakPolarHBondContact O-CD1 3.41Å; C296-L300 VanDerWaalsContact O-CG 3.24Å; C296-L300 WeakPolarHBondContact O-CG 3.48Å; C296-L300 PolarHBondContact O-N 2.96Å; C296-L353 HydrophobicContact CB-CD1 4.29Å; C296-L353 HydrophobicContact CB-CD2 3.9Å
297E80.7Confident73.2Confident66 Ų6680.4 Ų80.431%0.30840%0.395SS..Hα-helixtrans-62.7-43.2179.5-74.7175.5162.200111.9R293 L294 K299 L300 Q301R293-E297 HydrophobicContact CG-CG 4.3Å; R293-E297 IonicContact CZ-OE1 2.66Å; R293-E297 IonicContact CZ-OE2 2.72Å; R293-E297 IonicContact NE-OE1 3.76Å; R293-E297 PolarHBondContact NE-OE1 3.23Å; R293-E297 IonicContact NE-OE2 3.19Å; R293-E297 IonicContact NH2-OE1 2.79Å; R293-E297 PolarHBondContact NH2-OE1 3.12Å; R293-E297 IonicContact NH2-OE2 3.52Å; R293-E297 WeakPolarHBondContact O-CB 3.27Å; R293-E297 WeakPolarHBondContact O-CG 3.25Å; R293-E297 PolarHBondContact O-N 2.93Å; L294-E297 PolarHBondContact O-N 3.43Å; E297-K299 PolarHBondContact O-N 3.28Å; E297-L300 PolarHBondContact O-N 3.31Å; E297-Q301 VanDerWaalsContact O-CG 3.31Å; E297-Q301 WeakPolarHBondContact O-CG 3.23Å; E297-Q301 PolarHBondContact O-N 3.14Å
298Q79.7Confident70.4Confident112 Ų11284 Ų8452%0.52341%0.407SS..Hα-helixtrans-60.2-43.9173-73.3173.5-6.100112.2L294 L300 Q301 N302L294-Q298 WeakPolarHBondContact O-CB 3.47Å; L294-Q298 VanDerWaalsContact O-CG 3.3Å; L294-Q298 WeakPolarHBondContact O-CG 3.21Å; L294-Q298 PolarHBondContact O-N 2.9Å; Q298-L300 PolarHBondContact O-N 3.39Å; Q298-Q301 PolarHBondContact O-N 2.91Å; Q298-N302 WeakPolarHBondContact O-CB 3.29Å; Q298-N302 VanDerWaalsContact O-CG 3.23Å; Q298-N302 PolarHBondContact O-N 3.08Å
299K76.2Confident67.3Low103 Ų10391.3 Ų91.345%0.44844%0.441SS..Hα-helixtrans-68.1-34.1177.8-74.8-176.9-178.3-174.30112.9C295 C296 E297 R303 E357C295-K299 WeakPolarHBondContact O-CG 3.46Å; C295-K299 PolarHBondContact O-N 2.89Å; C295-K299 VanDerWaalsContact O-N 3.15Å; C296-K299 PolarHBondContact O-N 3.11Å; E297-K299 PolarHBondContact O-N 3.28Å; K299-R303 WeakPolarHBondContact O-CB 3.43Å; K299-R303 WeakPolarHBondContact O-CG 3.17Å; K299-R303 PolarHBondContact O-N 3.35Å; K299-E357 WeakPolarHBondContact CD-OE1 3.33Å; K299-E357 WeakPolarHBondContact CE-OE1 3.39Å; K299-E357 IonicContact NZ-OE1 3.76Å; K299-E357 PolarHBondContact NZ-OE1 3.42Å
300L74.3Confident64.3Low45 Ų4595.5 Ų95.524%0.23647%0.466CS..Hα-helixtrans-66.5-42.7173.4-72.2163.6000111.5C296 E297 Q298 R303 S304 A347 S352C296-L300 WeakPolarHBondContact O-CB 3.49Å; C296-L300 WeakPolarHBondContact O-CD1 3.41Å; C296-L300 VanDerWaalsContact O-CG 3.24Å; C296-L300 WeakPolarHBondContact O-CG 3.48Å; C296-L300 PolarHBondContact O-N 2.96Å; E297-L300 PolarHBondContact O-N 3.31Å; Q298-L300 PolarHBondContact O-N 3.39Å; L300-R303 PolarHBondContact O-N 2.63Å; L300-S304 PolarHBondContact O-N 3.37Å; L300-S304 PolarHBondContact O-OG 3.2Å; L300-A347 HydrophobicContact CD1-CB 3.77Å; L300-A347 HydrophobicContact CD2-CB 4.31Å; L300-S352 WeakPolarHBondContact CD2-OG 3.28Å
301Q74.5Confident61.3Low124 Ų12499.4 Ų99.458%0.57948%0.483SS*.Hα-helixtrans-64.1-46.3174.9-72.4171.3-1.900112.1E297 Q298 R303 S304 C305E297-Q301 VanDerWaalsContact O-CG 3.31Å; E297-Q301 WeakPolarHBondContact O-CG 3.23Å; E297-Q301 PolarHBondContact O-N 3.14Å; Q298-Q301 PolarHBondContact O-N 2.91Å; Q301-R303 VanDerWaalsContact C-N 3.26Å; Q301-R303 PolarHBondContact O-N 3.3Å; Q301-S304 PolarHBondContact O-N 2.91Å; Q301-S304 PolarHBondContact O-OG 3.07Å; Q301-C305 WeakPolarHBondContact O-CB 3.29Å; Q301-C305 PolarHBondContact O-N 2.71Å
302N67.5Low58.3Low109 Ų109100.8 Ų100.858%0.58350%0.501SS*.Hα-helixtrans-60.5-38.2176.5-69.7-12.2000111.5Q298 T306Q298-N302 WeakPolarHBondContact O-CB 3.29Å; Q298-N302 VanDerWaalsContact O-CG 3.23Å; Q298-N302 PolarHBondContact O-N 3.08Å; N302-T306 PolarHBondContact O-N 3.37Å; N302-T306 PolarHBondContact O-OG1 3.36Å; N302-T306 VanDerWaalsContact O-OG1 3.06Å
303R55.8Low55.2Low134 Ų134103.2 Ų103.251%0.50653%0.528SS..Hα-helixtrans-75.8-26.5177.2-75.7179.7168.8-161-9.7114.5K299 L300 Q301 T306 K307 S352K299-R303 WeakPolarHBondContact O-CB 3.43Å; K299-R303 WeakPolarHBondContact O-CG 3.17Å; K299-R303 PolarHBondContact O-N 3.35Å; L300-R303 PolarHBondContact O-N 2.63Å; Q301-R303 VanDerWaalsContact C-N 3.26Å; Q301-R303 PolarHBondContact O-N 3.3Å; R303-T306 WeakPolarHBondContact CA-OG1 3.43Å; R303-T306 PolarHBondContact O-OG1 3.09Å; R303-K307 WeakPolarHBondContact O-CG 3.46Å; R303-K307 PolarHBondContact O-N 3.35Å; R303-S352 PolarHBondContact NH1-O 2.94Å
304S53.3Low52.3Low63 Ų63106.3 Ų106.344%0.44155%0.552SS.*Hα-helixtrans-76.5-40.6172.765.70000111.4L300 Q301 K307 Q308L300-S304 PolarHBondContact O-N 3.37Å; L300-S304 PolarHBondContact O-OG 3.2Å; Q301-S304 PolarHBondContact O-N 2.91Å; Q301-S304 PolarHBondContact O-OG 3.07Å; S304-K307 PolarHBondContact O-N 2.96Å; S304-Q308 PolarHBondContact O-N 2.9Å; S304-Q308 VanDerWaalsContact O-N 3.1Å
305C41.4Very low49.2Very low66 Ų66105.2 Ų105.245%0.44656%0.564SS.*Hα-helixtrans-61.4-47.4176.4-163.80000111.7Q301 K307 Q308 Q309Q301-C305 WeakPolarHBondContact O-CB 3.29Å; Q301-C305 PolarHBondContact O-N 2.71Å; C305-K307 PolarHBondContact O-N 3.04Å; C305-Q308 PolarHBondContact O-N 3.45Å; C305-Q309 PolarHBondContact O-N 3.31Å
306T35.6Very low46.2Very low83 Ų83111.3 Ų111.351%0.50959%0.587SS.*Hα-helixtrans-62.7-23.2173.748.90000113.9N302 R303 V310N302-T306 PolarHBondContact O-N 3.37Å; N302-T306 PolarHBondContact O-OG1 3.36Å; N302-T306 VanDerWaalsContact O-OG1 3.06Å; R303-T306 WeakPolarHBondContact CA-OG1 3.43Å; R303-T306 PolarHBondContact O-OG1 3.09Å; T306-V310 WeakPolarHBondContact O-CG2 3.47Å
307K33.5Very low43.3Very low171 Ų171117.7 Ų117.774%0.74362%0.616SS**Hα-helixtrans-81.3-22.9173.7-79.7-177.4176.9-176.40113.4R303 S304 C305R303-K307 WeakPolarHBondContact O-CG 3.46Å; R303-K307 PolarHBondContact O-N 3.35Å; S304-K307 PolarHBondContact O-N 2.96Å; C305-K307 PolarHBondContact O-N 3.04Å
308Q28.6Very low40.4Very low155 Ų155121 Ų12172%0.72464%0.636SS**Hα-helixtrans-78.6-27.6174.9-74.4-179.7-33.400112.7S304 C305 V310S304-Q308 PolarHBondContact O-N 2.9Å; S304-Q308 VanDerWaalsContact O-N 3.1Å; C305-Q308 PolarHBondContact O-N 3.45Å; Q308-V310 VanDerWaalsContact C-N 3.31Å; Q308-V310 PolarHBondContact O-N 3.48Å
309Q25.1Very low37.7Very low157 Ų157123.9 Ų123.973%0.73465%0.649SS**THydrogen-bonded Turntrans-77-3.3179.3-74.2-172.6-29.100115.7C305C305-Q309 PolarHBondContact O-N 3.31Å
310V28.3Very low35.1Very low117 Ų117126.5 Ų126.571%0.70967%0.668SS**THydrogen-bonded Turntrans-109.525.3-176.9-162.30000112.5T306 Q308T306-V310 WeakPolarHBondContact O-CG2 3.47Å; Q308-V310 VanDerWaalsContact C-N 3.31Å; Q308-V310 PolarHBondContact O-N 3.48Å
311K23.8Very low33.2Very low198 Ų198130.1 Ų130.186%0.86169%0.694SS**SBendtrans-136.131.4173.4-79.4-159.4172.3-171.90115.4
312V25.8Very low30.6Very low142 Ų142129.3 Ų129.386%0.86170%0.703SS**SBendtrans-115.3136.4146.8-1760000105.4
313G21.8Very low28.6Very low61 Ų61131 Ų13163%0.62972%0.716SS**  trans-135.5176-161.900000115.6
314I21.5Very low26.9Very low189 Ų189127.6 Ų127.697%0.96972%0.723SS**  trans71.8118.9170.8-48171.8000114.3
315G20.9Very low26.1Very low75 Ų75130 Ų13077%0.77374%0.738SS**  trans163.1110.9170.700000111.6
316K20.8Very low25.2Very low165 Ų165135.4 Ų135.472%0.71775%0.753SS**  trans-89.1166.7173.2-57.3167.984.5-126.70110.1
317E20.1Very low24.6Very low137 Ų137138.4 Ų138.464%0.6477%0.766SS**  trans61.9114.1149.7-82.2119.7-127.500120
318N20.9Very low24.3Very low135 Ų135138.2 Ų138.272%0.72277%0.773SS**  60.9135.6127.4-62.617.3000123.5
319E21.6Very low23.9Very low173 Ų173139.7 Ų139.781%0.80878%0.777SS**  trans69.9115.6141.7-70.1172.1177.800121.5
320D23Very low23.8Very low157 Ų157141 Ų14184%0.8478%0.78SS**  trans70.2151.3146.1-78.68.8000123.4
321P33.4Very low23.5Very low121 Ų121145.8 Ų145.879%0.78679%0.791SS**  trans-120.6110.7-155.934.4-15.8000113.3
322S20.1Very low23.6Very low108 Ų108142.6 Ų142.676%0.75579%0.788SS**  trans-154.7160.9164.168.40000113.4
323V25.7Very low23.3Very low144 Ų144144.2 Ų144.287%0.87379%0.786SS**  trans70.8133.5175.7-168.70000115.8
324G20.2Very low23.4Very low63 Ų63146.7 Ų146.765%0.64979%0.792SS**  trans-103.7-117.1174.200000113.4
325P36.6Very low23.3Very low114 Ų114147 Ų14774%0.7479%0.786SS**  -119.4169.3-101.638.1-33.5000115.2
326K21.2Very low23.2Very low179 Ų179148.6 Ų148.678%0.77879%0.785SS**  trans125.3151.1150.6-68.6162-177.4175.20115.1
327N23.7Very low23.3Very low145 Ų145146.1 Ų146.178%0.77578%0.783SS**  trans69.3107.5158.1-59.3-29.4000119.3
328L27.5Very low23.5Very low168 Ų168145 Ų14588%0.8879%0.788SS**  -151.472.5122.1-139.175.5000113.7K330L328-K330 PolarHBondContact O-N 3.16Å; L328-K330 VanDerWaalsContact O-N 3.1Å
329K19.3Very low23.7Very low186 Ų186143.9 Ų143.981%0.80979%0.791SS**  trans-68.4101.1161-81-175.8178177.40108.5E752K329-E752 IonicContact NZ-OE1 3.48Å; K329-E752 PolarHBondContact NZ-OE1 3.01Å
330K24.2Very low23.9Very low184 Ų184144.8 Ų144.880%0.880%0.795SS**  trans-14995.9162.2-111.6175-174.9177.30111.2L328L328-K330 PolarHBondContact O-N 3.16Å; L328-K330 VanDerWaalsContact O-N 3.1Å
331F22.1Very low24.1Very low217 Ų217143.9 Ų143.995%0.95279%0.789SS**  trans-61.9133164.4-87.7-110.5000109.1
332V25Very low23.9Very low131 Ų131146 Ų14679%0.79479%0.787SS**  trans-113.5128.1162.9177.10000106.3
333E19.3Very low24.6Very low176 Ų176147.3 Ų147.382%0.82279%0.789SS**  trans-65.5138-177.6-64.3-179.5127.500111.1K335E333-K335 PolarHBondContact O-N 3.12Å; E333-K335 VanDerWaalsContact O-N 3.11Å
334P23.6Very low25.1Very low114 Ų114145.2 Ų145.274%0.7478%0.781SS**  trans-72.8108.1-173.728.6-34.3000111.2S336P334-S336 PolarHBondContact O-N 3.45Å; P334-S336 VanDerWaalsContact O-N 3.08Å
335K19.3Very low25.8Very low196 Ų196143.4 Ų143.485%0.85276%0.758SS**  trans-63.4108.5165.7-72.8-176176.4-179.10109.7E333 V337E333-K335 PolarHBondContact O-N 3.12Å; E333-K335 VanDerWaalsContact O-N 3.11Å; K335-V337 PolarHBondContact O-N 3.41Å
336S20.5Very low25.8Very low108 Ų108141.5 Ų141.576%0.75574%0.743SS**  trans34.477.8156.360.40000115.4P334 P338P334-S336 PolarHBondContact O-N 3.45Å; P334-S336 VanDerWaalsContact O-N 3.08Å; S336-P338 WeakPolarHBondContact O-CD 3.44Å
337V22.9Very low26.8Very low112 Ų112133.7 Ų133.768%0.67971%0.712SS**  trans-64.7123.9173.6179.90000109.4K335K335-V337 PolarHBondContact O-N 3.41Å
338P23.3Very low28Very low113 Ų113130.6 Ų130.673%0.73469%0.69SS**  trans-65.2147172.7-20.133.6000111.4S336 E340S336-P338 WeakPolarHBondContact O-CD 3.44Å; P338-E340 PolarHBondContact O-N 3.17Å
339S25.6Very low28.8Very low112 Ų112124.7 Ų124.778%0.78366%0.662SS**  trans-37.7127.7-176.234.40000115.7L341S339-L341 VanDerWaalsContact C-N 3.27Å; S339-L341 PolarHBondContact O-N 3.09Å
340E25.6Very low29.9Very low192 Ų192118.4 Ų118.490%0.89764%0.642SS**  trans-70.774.8179.1-65.2-175.512800112.6P338P338-E340 PolarHBondContact O-N 3.17Å
341L27.4Very low31.3Very low138 Ų138117.1 Ų117.172%0.72365%0.649SS**  trans-114.6148.5161.5-116.280.1000109.6S339S339-L341 VanDerWaalsContact C-N 3.27Å; S339-L341 PolarHBondContact O-N 3.09Å
342K29.7Very low33.4Very low167 Ų167107.6 Ų107.673%0.72661%0.61SS**  trans82.687.6175-49.1158.6-176.4172.20116.7V346K342-V346 HydrophobicContact CB-CG2 4.05Å; K342-V346 HydrophobicContact CG-CG2 4.07Å
343V32.8Very low35.8Very low134 Ų134102.5 Ų102.581%0.81258%0.578SS**SBendtrans-135.6-46.3142.2-176.10000111.3
344S37.3Very low38.9Very low100 Ų10097.3 Ų97.370%0.69956%0.558SS**SBendtrans-70.9-42-166.351.30000116.4
345T35.4Very low41.8Very low26 Ų2693.7 Ų93.716%0.1653%0.533CS..SBendtrans-84.8-39-175.914.70000113.6S12 A347S12-T345 PolarHBondContact OG-O 3.38Å; T345-A347 PolarHBondContact O-N 3.46Å
346V35.3Very low45.1Very low73 Ų7388.6 Ų88.644%0.44252%0.515SS..THydrogen-bonded Turntrans-66.3-9.2-173.3-175.20000113.4K342 W348K342-V346 HydrophobicContact CB-CG2 4.05Å; K342-V346 HydrophobicContact CG-CG2 4.07Å; V346-W348 VanDerWaalsContact C-N 3.35Å; V346-W348 PolarHBondContact O-N 3.29Å
347A42.3Very low48.3Very low15 Ų1584.7 Ų84.712%0.12449%0.485CS..THydrogen-bonded Turntrans-56.3-43177.200000113.5L300 T345 S349 S350L300-A347 HydrophobicContact CD1-CB 3.77Å; L300-A347 HydrophobicContact CD2-CB 4.31Å; T345-A347 PolarHBondContact O-N 3.46Å; A347-S349 PolarHBondContact O-N 3.28Å; A347-S350 WeakPolarHBondContact O-CB 3.41Å; A347-S350 PolarHBondContact O-N 3.4Å; A347-S350 PolarHBondContact O-OG 3.01Å
348W48.8Very low51.4Low81 Ų8180.1 Ų80.131%0.30746%0.456SS..THydrogen-bonded Turntrans-71.7-29.7-166-57.7105000115.4F8 V346 L353 L358 L361F8-W348 HydrophobicContact CB-CB 4.42Å; V346-W348 VanDerWaalsContact C-N 3.35Å; V346-W348 PolarHBondContact O-N 3.29Å; W348-L353 HydrophobicContact CE3-CD1 3.93Å; W348-L353 HydrophobicContact CZ3-CD1 3.66Å; W348-L358 HydrophobicContact CE3-CD2 4.27Å; W348-L358 HydrophobicContact CZ3-CD2 4.37Å; W348-L361 HydrophobicContact CE3-CD2 4.48Å; W348-L361 HydrophobicContact CH2-CD2 3.4Å; W348-L361 VanDerWaalsContact CH2-CD2 3.4Å; W348-L361 HydrophobicContact CZ3-CD2 3.35Å
349S44.7Very low54.7Low43 Ų4374.8 Ų74.830%0.30142%0.422SS..THydrogen-bonded Turntrans-88-5.8176.256.40000113.3A347A347-S349 PolarHBondContact O-N 3.28Å
350S44Very low57.9Low54 Ų5471.4 Ų71.438%0.37840%0.395SS..SBendtrans-84.1149.2179.975.60000112.1A347 S352A347-S350 WeakPolarHBondContact O-CB 3.41Å; A347-S350 PolarHBondContact O-N 3.4Å; A347-S350 PolarHBondContact O-OG 3.01Å; S350-S352 PolarHBondContact O-N 3.05Å; S350-S352 PolarHBondContact O-OG 3.27Å; S350-S352 WeakPolarHBondContact OG-CB 3.38Å; S350-S352 PolarHBondContact OG-OG 2.9Å
351V51.9Low61.1Low157 Ų15762.8 Ų62.895%0.95236%0.355SS*.THydrogen-bonded Turntrans-7555.1179.9-164.50000111.2
352S66Low64.2Low18 Ų1856.8 Ų56.813%0.12632%0.323CS..THydrogen-bonded Turntrans-121.7-27.1-16764.20000114.7L300 R303 S350L300-S352 WeakPolarHBondContact CD2-OG 3.28Å; R303-S352 PolarHBondContact NH1-O 2.94Å; S350-S352 PolarHBondContact O-N 3.05Å; S350-S352 PolarHBondContact O-OG 3.27Å; S350-S352 WeakPolarHBondContact OG-CB 3.38Å; S350-S352 PolarHBondContact OG-OG 2.9Å
353L76.6Confident67.4Low24 Ų2448.9 Ų48.913%0.12629%0.288CS..SBendtrans-102.5153.4172.5-61.1178.8000110.4C296 W348 L358C296-L353 HydrophobicContact CB-CD1 4.29Å; C296-L353 HydrophobicContact CB-CD2 3.9Å; W348-L353 HydrophobicContact CE3-CD1 3.93Å; W348-L353 HydrophobicContact CZ3-CD1 3.66Å; L353-L358 HydrophobicContact CB-CD2 4.36Å; L353-L358 HydrophobicContact CB-CG 4.28Å; L353-L358 HydrophobicContact CD1-CD2 3.91Å
354T83.4Confident70.3Confident67 Ų6742.5 Ų42.541%0.41125%0.249SC..  trans-90.1156.3174.164.80000111.7N356 E357 L358T354-N356 PolarHBondContact O-N 2.85Å; T354-E357 WeakPolarHBondContact CB-OE2 3.19Å; T354-E357 WeakPolarHBondContact CG2-OE2 3.4Å; T354-E357 PolarHBondContact N-OE2 2.76Å; T354-E357 PolarHBondContact O-N 3.47Å; T354-E357 VanDerWaalsContact OG1-CD 3.23Å; T354-E357 WeakPolarHBondContact OG1-CG 3.5Å; T354-E357 PolarHBondContact OG1-OE2 3.27Å; T354-L358 PolarHBondContact O-N 2.8Å; T354-L358 VanDerWaalsContact O-N 3.11Å
355D84.7Confident73Confident37 Ų3738 Ų3820%0.19822%0.218CC..Hα-helixtrans-57.2-33.5179.9-55-57.6000112.4T87 R88 L359T87-D355 HydrophobicContact CG2-CB 4Å; R88-D355 HydrophobicContact CG-CB 4.1Å; R88-D355 IonicContact CZ-OD1 2.93Å; R88-D355 IonicContact CZ-OD2 2.66Å; R88-D355 VanDerWaalsContact CZ-OD2 3.27Å; R88-D355 IonicContact NE-OD1 3.37Å; R88-D355 PolarHBondContact NE-OD1 3.03Å; R88-D355 IonicContact NE-OD2 2.73Å; R88-D355 PolarHBondContact NE-OD2 3.47Å; R88-D355 IonicContact NH2-OD1 3.37Å; R88-D355 PolarHBondContact NH2-OD1 2.97Å; R88-D355 VanDerWaalsContact NH2-OD1 3.12Å; R88-D355 IonicContact NH2-OD2 3.28Å; R88-D355 PolarHBondContact NH2-OD2 3.13Å; D355-L359 VanDerWaalsContact O-CB 3.29Å; D355-L359 WeakPolarHBondContact O-CB 3.37Å; D355-L359 PolarHBondContact O-N 2.96Å
356N88.3Confident75.9Confident90 Ų9037.2 Ų37.248%0.48121%0.212SC..Hα-helixtrans-66.9-37174.8-66.7-58.9000113.2T87 T354 N360T87-N356 WeakPolarHBondContact CG2-OD1 3.5Å; T354-N356 PolarHBondContact O-N 2.85Å; N356-N360 WeakPolarHBondContact O-CB 3.41Å; N356-N360 VanDerWaalsContact O-CG 3.3Å; N356-N360 PolarHBondContact O-N 3.45Å
357E87.8Confident78.7Confident26 Ų2633.8 Ų33.812%0.12119%0.191CC..Hα-helixtrans-73.5-37.4179.9-69.9161.4136.800110.9M292 K299 T354 L361M292-E357 HydrophobicContact CE-CB 4.38Å; M292-E357 WeakPolarHBondContact CE-O 3.08Å; K299-E357 WeakPolarHBondContact CD-OE1 3.33Å; K299-E357 WeakPolarHBondContact CE-OE1 3.39Å; K299-E357 IonicContact NZ-OE1 3.76Å; K299-E357 PolarHBondContact NZ-OE1 3.42Å; T354-E357 WeakPolarHBondContact CB-OE2 3.19Å; T354-E357 WeakPolarHBondContact CG2-OE2 3.4Å; T354-E357 PolarHBondContact N-OE2 2.76Å; T354-E357 PolarHBondContact O-N 3.47Å; T354-E357 VanDerWaalsContact OG1-CD 3.23Å; T354-E357 WeakPolarHBondContact OG1-CG 3.5Å; T354-E357 PolarHBondContact OG1-OE2 3.27Å; E357-L361 WeakPolarHBondContact O-CB 3.34Å; E357-L361 PolarHBondContact O-N 2.96Å
358L89.3Confident81.2Confident15 Ų1534.1 Ų34.18%0.07919%0.191CC..Hα-helixtrans-64.4-46.7170.3-66.7173000110.9F8 L91 W348 L353 T354 N360 L361 W362F8-L358 HydrophobicContact CE2-CD1 3.98Å; F8-L358 HydrophobicContact CZ-CD1 4.36Å; F8-L358 HydrophobicContact CZ-CD2 4.31Å; L91-L358 HydrophobicContact CD1-CB 4.32Å; L91-L358 HydrophobicContact CD2-CB 3.66Å; L91-L358 HydrophobicContact CD2-CD1 4.33Å; W348-L358 HydrophobicContact CE3-CD2 4.27Å; W348-L358 HydrophobicContact CZ3-CD2 4.37Å; L353-L358 HydrophobicContact CB-CD2 4.36Å; L353-L358 HydrophobicContact CB-CG 4.28Å; L353-L358 HydrophobicContact CD1-CD2 3.91Å; T354-L358 PolarHBondContact O-N 2.8Å; T354-L358 VanDerWaalsContact O-N 3.11Å; L358-N360 PolarHBondContact O-N 2.99Å; L358-L361 PolarHBondContact O-N 3.39Å; L358-W362 WeakPolarHBondContact O-CB 3.39Å; L358-W362 VanDerWaalsContact O-CD1 3.24Å; L358-W362 PolarHBondContact O-N 2.67Å
359L92.6Very high83.4Confident2 Ų230.4 Ų30.41%0.0118%0.177CC..Hα-helixtrans-56.3-51.6176.4175.859.7000111.9T87 E90 L91 I94 D355 L361 W362 L363T87-L359 HydrophobicContact CG2-CD2 3.99Å; E90-L359 HydrophobicContact CB-CD1 4.35Å; E90-L359 HydrophobicContact CG-CD1 3.78Å; E90-L359 HydrophobicContact CG-CD2 4.31Å; E90-L359 WeakPolarHBondContact OE2-CD2 3.43Å; L91-L359 HydrophobicContact CB-CB 4.45Å; L91-L359 HydrophobicContact CB-CD1 4.36Å; I94-L359 HydrophobicContact CG1-CD1 4.07Å; D355-L359 VanDerWaalsContact O-CB 3.29Å; D355-L359 WeakPolarHBondContact O-CB 3.37Å; D355-L359 PolarHBondContact O-N 2.96Å; L359-L361 PolarHBondContact O-N 3.33Å; L359-W362 PolarHBondContact O-N 2.97Å; L359-L363 HydrophobicContact CD1-CD1 3.82Å; L359-L363 HydrophobicContact CD1-CG 3.96Å; L359-L363 HydrophobicContact CG-CD1 3.88Å; L359-L363 HydrophobicContact CG-CG 4.46Å; L359-L363 WeakPolarHBondContact O-CB 3.49Å; L359-L363 WeakPolarHBondContact O-CG 3.48Å; L359-L363 PolarHBondContact O-N 3.04Å
360N92.2Very high85.8Confident40 Ų4029.5 Ų29.521%0.21417%0.167CC..Hα-helixtrans-60.9-44.3178.3-71.5-4.8000111.8W228 M292 N356 L358 W362 G364W228-N360 HydrophobicContact CD2-CB 4.25Å; W228-N360 HydrophobicContact CE3-CB 4.12Å; W228-N360 HydrophobicContact CH2-CB 3.86Å; W228-N360 WeakPolarHBondContact CH2-O 3.45Å; W228-N360 HydrophobicContact CZ2-CB 3.94Å; W228-N360 WeakPolarHBondContact CZ2-O 3.22Å; W228-N360 HydrophobicContact CZ3-CB 3.92Å; M292-N360 HydrophobicContact CE-CB 3.71Å; M292-N360 HydrophobicContact CG-CB 4.32Å; M292-N360 HydrophobicContact SD-CB 3.81Å; N356-N360 WeakPolarHBondContact O-CB 3.41Å; N356-N360 VanDerWaalsContact O-CG 3.3Å; N356-N360 PolarHBondContact O-N 3.45Å; L358-N360 PolarHBondContact O-N 2.99Å; N360-W362 PolarHBondContact O-N 3.31Å; N360-G364 PolarHBondContact O-N 3.13Å; N360-G364 VanDerWaalsContact O-N 3.09Å
361L92Very high88.1Confident12 Ų1227 Ų276%0.06315%0.149CC..Hα-helixtrans-59-47.7176.6178.165.1000111.5V289 M292 W348 E357 L358 L359 G364 T365V289-L361 HydrophobicContact CG1-CD1 4.3Å; M292-L361 HydrophobicContact CB-CB 4.21Å; M292-L361 HydrophobicContact CB-CD1 3.79Å; W348-L361 HydrophobicContact CE3-CD2 4.48Å; W348-L361 HydrophobicContact CH2-CD2 3.4Å; W348-L361 VanDerWaalsContact CH2-CD2 3.4Å; W348-L361 HydrophobicContact CZ3-CD2 3.35Å; E357-L361 WeakPolarHBondContact O-CB 3.34Å; E357-L361 PolarHBondContact O-N 2.96Å; L358-L361 PolarHBondContact O-N 3.39Å; L359-L361 PolarHBondContact O-N 3.33Å; L361-G364 PolarHBondContact O-N 3.08Å; L361-T365 PolarHBondContact O-N 2.77Å; L361-T365 PolarHBondContact O-OG1 3.39Å; L361-T365 VanDerWaalsContact O-OG1 3.09Å
362W94.2Very high90.1Very high12 Ų1219.6 Ų19.65%0.04510%0.104CC..Hα-helixtrans-75.5-28.8-176.7-78.1100.4000113.9F7 F8 L11 L91 I94 L95 C98 L358 L359 N360 G364 T365 R366 F402F7-W362 HydrophobicContact CE1-CZ2 4.38Å; F8-W362 AromaticContact CE1-CE2 3.95Å; F8-W362 HydrophobicContact CE1-CZ2 4.02Å; F8-W362 AromaticContact CE1-NE1 3.43Å; F8-W362 AromaticContact CZ-NE1 3.74Å; L11-W362 HydrophobicContact CD2-CH2 3.95Å; L11-W362 HydrophobicContact CD2-CZ2 3.92Å; L91-W362 HydrophobicContact CD1-CB 4.13Å; L91-W362 HydrophobicContact CD1-CG 4.27Å; I94-W362 HydrophobicContact CG2-CB 3.98Å; L95-W362 HydrophobicContact CD2-CD2 3.43Å; L95-W362 VanDerWaalsContact CD2-CD2 3.43Å; L95-W362 HydrophobicContact CD2-CE3 3.7Å; L95-W362 HydrophobicContact CD2-CG 3.83Å; L95-W362 HydrophobicContact CD2-CH2 4.14Å; L95-W362 HydrophobicContact CD2-CZ2 3.94Å; L95-W362 HydrophobicContact CD2-CZ3 4.04Å; C98-W362 HydrophobicContact CB-CE3 4.31Å; C98-W362 HydrophobicContact CB-CZ3 4.2Å; L358-W362 WeakPolarHBondContact O-CB 3.39Å; L358-W362 VanDerWaalsContact O-CD1 3.24Å; L358-W362 PolarHBondContact O-N 2.67Å; L359-W362 PolarHBondContact O-N 2.97Å; N360-W362 PolarHBondContact O-N 3.31Å; W362-G364 VanDerWaalsContact C-N 3.31Å; W362-T365 HydrophobicContact CE3-CG2 3.84Å; W362-T365 HydrophobicContact CZ3-CG2 3.87Å; W362-T365 PolarHBondContact O-N 2.95Å; W362-R366 WeakPolarHBondContact O-CB 3.42Å; W362-R366 PolarHBondContact O-N 3.19Å; W362-F402 AromaticContact CH2-CD1 3.9Å; W362-F402 HydrophobicContact CH2-CD1 3.9Å; W362-F402 AromaticContact CH2-CE1 3.96Å; W362-F402 HydrophobicContact CH2-CE1 3.96Å; W362-F402 HydrophobicContact CZ3-CD1 4.35Å; W362-F402 HydrophobicContact CZ3-CE1 4.33Å
363L95.3Very high91.5Very high0 Ų021 Ų210%011%0.109CC..Hα-helixtrans-61.3-40.7166.3-81.8168.9000111.5I94 F187 W228 Y236 L359 L367I94-L363 HydrophobicContact CD1-CD2 3.57Å; I94-L363 HydrophobicContact CD1-CG 4.47Å; I94-L363 HydrophobicContact CG1-CD2 3.91Å; I94-L363 HydrophobicContact CG1-CG 4.29Å; F187-L363 HydrophobicContact CE1-CD1 4.1Å; F187-L363 HydrophobicContact CE1-CD2 4.12Å; F187-L363 HydrophobicContact CZ-CD2 4.05Å; W228-L363 HydrophobicContact CH2-CB 3.84Å; W228-L363 HydrophobicContact CH2-CD1 4.37Å; W228-L363 HydrophobicContact CZ3-CD1 4.43Å; Y236-L363 PolarHBondContact OH-O 2.79Å; L359-L363 HydrophobicContact CD1-CD1 3.82Å; L359-L363 HydrophobicContact CD1-CG 3.96Å; L359-L363 HydrophobicContact CG-CD1 3.88Å; L359-L363 HydrophobicContact CG-CG 4.46Å; L359-L363 WeakPolarHBondContact O-CB 3.49Å; L359-L363 WeakPolarHBondContact O-CG 3.48Å; L359-L363 PolarHBondContact O-N 3.04Å; L363-L367 PolarHBondContact O-N 2.98Å
364G93.9Very high92.2Very high0 Ų020.1 Ų20.10%010%0.104CC..Hα-helixtrans-65.7-41.6171.200000112.8V289 N360 L361 W362 L367 L368V289-G364 VanDerWaalsContact CG2-C 3.42Å; N360-G364 PolarHBondContact O-N 3.13Å; N360-G364 VanDerWaalsContact O-N 3.09Å; L361-G364 PolarHBondContact O-N 3.08Å; W362-G364 VanDerWaalsContact C-N 3.31Å; G364-L367 PolarHBondContact O-N 3.31Å; G364-L368 WeakPolarHBondContact O-CB 3.26Å; G364-L368 PolarHBondContact O-N 3Å
365T94.4Very high92.6Very high6 Ų616.9 Ų16.94%0.0378%0.084CC..Hα-helixtrans-62.6-45.9175.6-58.80000111.5L361 W362 L367 L368 L369 F402L361-T365 PolarHBondContact O-N 2.77Å; L361-T365 PolarHBondContact O-OG1 3.39Å; L361-T365 VanDerWaalsContact O-OG1 3.09Å; W362-T365 HydrophobicContact CE3-CG2 3.84Å; W362-T365 HydrophobicContact CZ3-CG2 3.87Å; W362-T365 PolarHBondContact O-N 2.95Å; T365-L367 VanDerWaalsContact C-N 3.32Å; T365-L367 PolarHBondContact O-N 3.43Å; T365-L368 WeakPolarHBondContact O-CB 3.36Å; T365-L368 PolarHBondContact O-N 2.71Å; T365-L368 VanDerWaalsContact O-N 3.09Å; T365-L369 HydrophobicContact CG2-CD1 4.31Å; T365-L369 HydrophobicContact CG2-CG 4.32Å; T365-L369 WeakPolarHBondContact O-CG 3.41Å; T365-L369 PolarHBondContact O-N 2.69Å; T365-F402 HydrophobicContact CG2-CE1 4.24Å; T365-F402 HydrophobicContact CG2-CE2 4.25Å; T365-F402 HydrophobicContact CG2-CZ 3.86Å
366R95.8Very high92.9Very high10 Ų1015.1 Ų15.14%0.0388%0.075CC..Hα-helixtrans-57.9-44.5177-175.9171.578.6158.6-2.2111.5I94 S97 E105 Y236 W362 L368 L369 Y370I94-R366 HydrophobicContact CG2-CB 4.33Å; S97-R366 WeakPolarHBondContact OG-CD 3.38Å; S97-R366 PolarHBondContact OG-NH1 3.45Å; E105-R366 IonicContact OE1-NH1 3.12Å; Y236-R366 WeakPolarHBondContact OH-CB 3.4Å; Y236-R366 PolarHBondContact OH-NE 3.45Å; W362-R366 WeakPolarHBondContact O-CB 3.42Å; W362-R366 PolarHBondContact O-N 3.19Å; R366-L368 PolarHBondContact O-N 3.13Å; R366-L369 PolarHBondContact O-N 3.12Å; R366-Y370 WeakPolarHBondContact CD-OH 3.43Å; R366-Y370 HydrophobicContact CG-CD2 4.27Å; R366-Y370 HydrophobicContact CG-CE1 4.06Å; R366-Y370 HydrophobicContact CG-CE2 3.69Å; R366-Y370 VanDerWaalsContact O-CG 3.26Å; R366-Y370 PolarHBondContact O-N 3.4Å
367L95.4Very high93.1Very high0 Ų011.3 Ų11.30%05%0.054CC..Hα-helixtrans-64.4-38.8174.9-174.868.9000112.7Y236 W239 V281 H284 L288 L363 G364 T365 Y370 G371Y236-L367 HydrophobicContact CD1-CD1 4.39Å; Y236-L367 HydrophobicContact CD2-CD1 4.34Å; Y236-L367 HydrophobicContact CE2-CB 4.02Å; Y236-L367 HydrophobicContact CE2-CD1 4.46Å; Y236-L367 HydrophobicContact CG-CD1 4.3Å; W239-L367 HydrophobicContact CB-CD1 3.8Å; W239-L367 HydrophobicContact CG-CD1 4.37Å; V281-L367 HydrophobicContact CG1-CD1 3.99Å; H284-L367 HydrophobicContact CB-CD2 4.02Å; L288-L367 HydrophobicContact CD1-CD2 3.8Å; L363-L367 PolarHBondContact O-N 2.98Å; G364-L367 PolarHBondContact O-N 3.31Å; T365-L367 VanDerWaalsContact C-N 3.32Å; T365-L367 PolarHBondContact O-N 3.43Å; L367-Y370 PolarHBondContact O-N 3.27Å; L367-G371 PolarHBondContact O-N 2.92Å
368L94.4Very high93.2Very high23 Ų2310 Ų1012%0.125%0.048CC..Hα-helixtrans-64.7-42.9175.2177.658.2000111.8R282 Q286 V289 G364 T365 R366 G371 C372R282-L368 HydrophobicContact CG-CD1 4.28Å; Q286-L368 HydrophobicContact CB-CD1 4Å; V289-L368 HydrophobicContact CB-CD2 4.39Å; V289-L368 HydrophobicContact CG2-CB 4.4Å; V289-L368 HydrophobicContact CG2-CD2 4.11Å; G364-L368 WeakPolarHBondContact O-CB 3.26Å; G364-L368 PolarHBondContact O-N 3Å; T365-L368 WeakPolarHBondContact O-CB 3.36Å; T365-L368 PolarHBondContact O-N 2.71Å; T365-L368 VanDerWaalsContact O-N 3.09Å; R366-L368 PolarHBondContact O-N 3.13Å; L368-G371 PolarHBondContact O-N 3.18Å; L368-C372 WeakPolarHBondContact O-CB 3.34Å; L368-C372 PolarHBondContact O-N 3.32Å; L368-C372 PolarHBondContact O-SG 3.34Å; L368-C372 VanDerWaalsContact O-SG 3.36Å
369L95.5Very high93Very high2 Ų210.6 Ų10.61%0.015%0.049CC..Hα-helixtrans-57.6-50.6174.8-70.8175.1000110.9C98 T365 R366 C372 H373 V398 L404 Y407C98-L369 HydrophobicContact CB-CD1 3.84Å; T365-L369 HydrophobicContact CG2-CD1 4.31Å; T365-L369 HydrophobicContact CG2-CG 4.32Å; T365-L369 WeakPolarHBondContact O-CG 3.41Å; T365-L369 PolarHBondContact O-N 2.69Å; R366-L369 PolarHBondContact O-N 3.12Å; L369-C372 PolarHBondContact O-N 3.26Å; L369-H373 WeakPolarHBondContact O-CB 3.32Å; L369-H373 PolarHBondContact O-N 3.27Å; L369-V398 HydrophobicContact CD2-CG1 3.36Å; L369-L404 HydrophobicContact CD1-CD1 4Å; L369-L404 HydrophobicContact CD2-CD1 3.68Å; L369-Y407 HydrophobicContact CB-CE1 3.85Å; L369-Y407 HydrophobicContact CB-CE2 4.46Å; L369-Y407 HydrophobicContact CD1-CE2 4.2Å; L369-Y407 HydrophobicContact CD2-CD1 4.43Å; L369-Y407 HydrophobicContact CD2-CD2 4.47Å; L369-Y407 HydrophobicContact CD2-CE1 4.38Å; L369-Y407 HydrophobicContact CD2-CE2 4.42Å; L369-Y407 HydrophobicContact CD2-CG 4.47Å
370Y94.5Very high92.9Very high25 Ų2510.6 Ų10.610%0.0985%0.05CC..Hα-helixtrans-60.3-46.4177.1-67.5-12.8000112.8S97 Y236 W239 R366 L367 H373 Q374S97-Y370 PolarHBondContact OG-OH 3.25Å; Y236-Y370 HydrophobicContact CE1-CD2 4.41Å; Y236-Y370 HydrophobicContact CE1-CE2 4.18Å; W239-Y370 AromaticContact CD2-CD2 3.63Å; W239-Y370 HydrophobicContact CD2-CD2 3.63Å; W239-Y370 HydrophobicContact CD2-CE2 4.21Å; W239-Y370 HydrophobicContact CD2-CG 4.43Å; W239-Y370 AromaticContact CE2-CD2 3.35Å; W239-Y370 AromaticContact CE2-CE2 3.87Å; W239-Y370 AromaticContact CE2-CG 3.85Å; W239-Y370 HydrophobicContact CE3-CD2 4.08Å; W239-Y370 HydrophobicContact CE3-CE2 4.25Å; W239-Y370 HydrophobicContact CG-CD2 4.16Å; W239-Y370 AromaticContact CH2-CD2 3.96Å; W239-Y370 HydrophobicContact CH2-CD2 3.96Å; W239-Y370 AromaticContact CH2-CE2 3.57Å; W239-Y370 HydrophobicContact CH2-CE2 3.57Å; W239-Y370 AromaticContact CZ2-CD2 3.54Å; W239-Y370 HydrophobicContact CZ2-CD2 3.54Å; W239-Y370 AromaticContact CZ2-CE2 3.56Å; W239-Y370 HydrophobicContact CZ2-CE2 3.56Å; W239-Y370 HydrophobicContact CZ2-CG 4.11Å; W239-Y370 HydrophobicContact CZ3-CD2 4.22Å; W239-Y370 AromaticContact CZ3-CE2 3.94Å; W239-Y370 HydrophobicContact CZ3-CE2 3.94Å; W239-Y370 AromaticContact NE1-CD2 3.74Å; W239-Y370 AromaticContact NE1-CG 3.79Å; R366-Y370 WeakPolarHBondContact CD-OH 3.43Å; R366-Y370 HydrophobicContact CG-CD2 4.27Å; R366-Y370 HydrophobicContact CG-CE1 4.06Å; R366-Y370 HydrophobicContact CG-CE2 3.69Å; R366-Y370 VanDerWaalsContact O-CG 3.26Å; R366-Y370 PolarHBondContact O-N 3.4Å; L367-Y370 PolarHBondContact O-N 3.27Å; Y370-H373 PolarHBondContact O-N 3.07Å; Y370-Q374 PolarHBondContact O-N 2.84Å
371G92.6Very high92.6Very high0 Ų09 Ų90%04%0.041CC..Hα-helixtrans-64.5-41.5178.500000113.2L367 L368 T375L367-G371 PolarHBondContact O-N 2.92Å; L368-G371 PolarHBondContact O-N 3.18Å; G371-T375 VanDerWaalsContact O-CB 3.26Å; G371-T375 WeakPolarHBondContact O-CB 3.49Å; G371-T375 PolarHBondContact O-N 3.02Å; G371-T375 PolarHBondContact O-OG1 3.43Å
372C93.5Very high91.8Very high2 Ų28.8 Ų8.81%0.0144%0.04CC..Hα-helixtrans-65.1-39.6174.3-73.10000112L368 L369 A376 L395L368-C372 WeakPolarHBondContact O-CB 3.34Å; L368-C372 PolarHBondContact O-N 3.32Å; L368-C372 PolarHBondContact O-SG 3.34Å; L368-C372 VanDerWaalsContact O-SG 3.36Å; L369-C372 PolarHBondContact O-N 3.26Å; C372-A376 WeakPolarHBondContact O-CB 3.31Å; C372-A376 PolarHBondContact O-N 2.72Å; C372-L395 HydrophobicContact CB-CD1 3.83Å
373H94.5Very high90.4Very high47 Ų478.6 Ų8.622%0.2184%0.042CC..Hα-helixtrans-61.3-56.6175.9178.3-161.9000111.4L369 Y370 T375 A376 E377 L395 Y407L369-H373 WeakPolarHBondContact O-CB 3.32Å; L369-H373 PolarHBondContact O-N 3.27Å; Y370-H373 PolarHBondContact O-N 3.07Å; H373-T375 VanDerWaalsContact C-N 3.3Å; H373-T375 PolarHBondContact O-N 3.37Å; H373-A376 PolarHBondContact O-N 2.93Å; H373-E377 WeakPolarHBondContact O-CB 3.22Å; H373-E377 PolarHBondContact O-N 3.49Å; H373-L395 HydrophobicContact CB-CD1 4.31Å; H373-Y407 HydrophobicContact CB-CE1 4.16Å
374Q92.1Very high89.2Confident6 Ų69.8 Ų9.83%0.0285%0.049CC..Hα-helixtrans-57.8-42.7178.3-73.6176.5-22.900111.6W239 L242 A278 Y370 A376 E377 L378W239-Q374 VanDerWaalsContact CD1-NE2 3.33Å; L242-Q374 HydrophobicContact CD2-CB 4.4Å; A278-Q374 HydrophobicContact CB-CB 4.39Å; Y370-Q374 PolarHBondContact O-N 2.84Å; Q374-A376 PolarHBondContact O-N 3.02Å; Q374-E377 PolarHBondContact O-N 2.83Å; Q374-L378 HydrophobicContact CB-CD1 4.39Å; Q374-L378 VanDerWaalsContact O-CB 3.28Å; Q374-L378 WeakPolarHBondContact O-CB 3.28Å; Q374-L378 VanDerWaalsContact O-CD1 3.32Å; Q374-L378 WeakPolarHBondContact O-CD1 3.4Å; Q374-L378 WeakPolarHBondContact O-CG 3.48Å; Q374-L378 PolarHBondContact O-N 3.15Å
375T90.8Very high88.3Confident0 Ų010.9 Ų10.90%06%0.056CC..Hα-helixtrans-61.1-46.3177.9-55.50000111.3A278 V279 G371 H373 Y379 Y391A278-T375 PolarHBondContact O-OG1 2.86Å; V279-T375 HydrophobicContact CG2-CG2 4.18Å; G371-T375 VanDerWaalsContact O-CB 3.26Å; G371-T375 WeakPolarHBondContact O-CB 3.49Å; G371-T375 PolarHBondContact O-N 3.02Å; G371-T375 PolarHBondContact O-OG1 3.43Å; H373-T375 VanDerWaalsContact C-N 3.3Å; H373-T375 PolarHBondContact O-N 3.37Å; T375-Y379 HydrophobicContact CG2-CD2 3.67Å; T375-Y379 HydrophobicContact CG2-CE2 3.83Å; T375-Y379 WeakPolarHBondContact O-CB 3.18Å; T375-Y379 WeakPolarHBondContact O-CD2 3.48Å; T375-Y379 PolarHBondContact O-N 2.98Å; T375-Y391 HydrophobicContact CG2-CD1 3.54Å; T375-Y391 HydrophobicContact CG2-CD2 3.85Å; T375-Y391 HydrophobicContact CG2-CE1 3.7Å; T375-Y391 HydrophobicContact CG2-CE2 4.02Å; T375-Y391 HydrophobicContact CG2-CG 3.6Å
376A92.5Very high87.1Confident0 Ų018.8 Ų18.80%09%0.085CC..Hα-helixtrans-65.8-42.3179.100000112.8C372 H373 Q374 T380 L395 L414C372-A376 WeakPolarHBondContact O-CB 3.31Å; C372-A376 PolarHBondContact O-N 2.72Å; H373-A376 PolarHBondContact O-N 2.93Å; Q374-A376 PolarHBondContact O-N 3.02Å; A376-T380 WeakPolarHBondContact O-CB 3.47Å; A376-T380 PolarHBondContact O-N 3.37Å; A376-T380 VanDerWaalsContact O-N 3.12Å; A376-T380 PolarHBondContact O-OG1 2.7Å; A376-L395 HydrophobicContact CB-CB 4.36Å; A376-L395 HydrophobicContact CB-CD2 3.93Å; A376-L414 HydrophobicContact CB-CD1 3.99Å
377E92.5Very high86Confident9 Ų920.7 Ų20.74%0.0429%0.094CC..Hα-helixtrans-61.1-53176.9-171.1-179.7-139.900110.7H373 Q374 Y379 T380 L381 L414 V609 W611H373-E377 WeakPolarHBondContact O-CB 3.22Å; H373-E377 PolarHBondContact O-N 3.49Å; Q374-E377 PolarHBondContact O-N 2.83Å; E377-Y379 PolarHBondContact O-N 3.14Å; E377-T380 WeakPolarHBondContact O-CB 3.16Å; E377-T380 PolarHBondContact O-N 3.41Å; E377-T380 VanDerWaalsContact O-N 3.1Å; E377-L381 HydrophobicContact CG-CD1 4.4Å; E377-L381 WeakPolarHBondContact O-CG 3.44Å; E377-L381 PolarHBondContact O-N 3.27Å; E377-L381 VanDerWaalsContact O-N 3.16Å; E377-L414 HydrophobicContact CB-CD1 4.49Å; E377-V609 HydrophobicContact CG-CG1 3.9Å; E377-V609 WeakPolarHBondContact OE1-CA 3.35Å; E377-V609 WeakPolarHBondContact OE1-CG1 3.35Å; E377-W611 HydrophobicContact CG-CZ2 4.32Å; E377-W611 PolarHBondContact OE1-NE1 2.94Å; E377-W611 WeakPolarHBondContact OE2-CZ2 3.33Å; E377-W611 PolarHBondContact OE2-NE1 3.43Å
378L89.4Confident85.5Confident0 Ų020.7 Ų20.70%09%0.094CC..Hα-helixtrans-65.2-41.6-176.6-66.3165.2000113L242 L275 A278 Q374 T380 L381 L382 W611 F907L242-L378 HydrophobicContact CD1-CD1 4.34Å; L242-L378 HydrophobicContact CD2-CD1 4.2Å; L275-L378 HydrophobicContact CD1-CB 3.48Å; L275-L378 VanDerWaalsContact CD1-CB 3.48Å; A278-L378 HydrophobicContact CB-CD1 3.6Å; Q374-L378 HydrophobicContact CB-CD1 4.39Å; Q374-L378 VanDerWaalsContact O-CB 3.28Å; Q374-L378 WeakPolarHBondContact O-CB 3.28Å; Q374-L378 VanDerWaalsContact O-CD1 3.32Å; Q374-L378 WeakPolarHBondContact O-CD1 3.4Å; Q374-L378 WeakPolarHBondContact O-CG 3.48Å; Q374-L378 PolarHBondContact O-N 3.15Å; L378-T380 VanDerWaalsContact C-N 3.28Å; L378-T380 PolarHBondContact O-N 2.9Å; L378-L381 PolarHBondContact O-N 2.99Å; L378-L382 WeakPolarHBondContact O-CG 3.25Å; L378-L382 PolarHBondContact O-N 2.86Å; L378-W611 HydrophobicContact CD2-CH2 3.63Å; L378-W611 HydrophobicContact CD2-CZ2 3.94Å; L378-F907 HydrophobicContact CD2-CD2 4.31Å; L378-F907 HydrophobicContact CD2-CE1 4.37Å; L378-F907 HydrophobicContact CD2-CE2 3.41Å; L378-F907 VanDerWaalsContact CD2-CE2 3.41Å; L378-F907 HydrophobicContact CD2-CZ 3.45Å; L378-F907 VanDerWaalsContact CD2-CZ 3.45Å
379Y85.7Confident85.1Confident26 Ų2621.1 Ų21.110%0.1029%0.094CC..Hα-helixtrans-66.9-29.3174.2-90.5-81.7000112.5L275 V279 T375 E377 T384 E387 Y391L275-Y379 HydrophobicContact CD1-CD1 4.35Å; L275-Y379 HydrophobicContact CD1-CD2 3.43Å; L275-Y379 VanDerWaalsContact CD1-CD2 3.43Å; L275-Y379 HydrophobicContact CD1-CE2 3.68Å; L275-Y379 HydrophobicContact CD1-CG 3.81Å; L275-Y379 HydrophobicContact CD2-CD1 4.04Å; L275-Y379 HydrophobicContact CD2-CD2 4.15Å; L275-Y379 HydrophobicContact CD2-CE1 3.62Å; L275-Y379 HydrophobicContact CD2-CE2 3.71Å; L275-Y379 HydrophobicContact CD2-CG 4.31Å; L275-Y379 VanDerWaalsContact CD2-CZ 3.44Å; L275-Y379 HydrophobicContact CG-CD2 3.92Å; L275-Y379 HydrophobicContact CG-CE1 4.41Å; L275-Y379 HydrophobicContact CG-CE2 3.59Å; L275-Y379 HydrophobicContact CG-CG 4.45Å; V279-Y379 HydrophobicContact CG2-CE2 4.14Å; T375-Y379 HydrophobicContact CG2-CD2 3.67Å; T375-Y379 HydrophobicContact CG2-CE2 3.83Å; T375-Y379 WeakPolarHBondContact O-CB 3.18Å; T375-Y379 WeakPolarHBondContact O-CD2 3.48Å; T375-Y379 PolarHBondContact O-N 2.98Å; E377-Y379 PolarHBondContact O-N 3.14Å; Y379-T384 PolarHBondContact O-OG1 3.45Å; Y379-E387 HydrophobicContact CD1-CB 3.42Å; Y379-E387 VanDerWaalsContact CD1-CB 3.42Å; Y379-E387 HydrophobicContact CD1-CG 4.34Å; Y379-E387 HydrophobicContact CE1-CB 3.42Å; Y379-E387 VanDerWaalsContact CE1-CB 3.42Å; Y379-E387 HydrophobicContact CE1-CG 3.9Å; Y379-E387 HydrophobicContact CG-CB 4.34Å; Y379-Y391 HydrophobicContact CD1-CD2 4.37Å; Y379-Y391 HydrophobicContact CD1-CE2 4.29Å; Y379-Y391 AromaticContact CD2-CD2 3.37Å; Y379-Y391 HydrophobicContact CD2-CD2 3.37Å; Y379-Y391 AromaticContact CD2-CE2 3.42Å; Y379-Y391 HydrophobicContact CD2-CE2 3.42Å; Y379-Y391 VanDerWaalsContact CD2-CE2 3.42Å; Y379-Y391 HydrophobicContact CD2-CG 4.33Å; Y379-Y391 HydrophobicContact CE1-CE2 4.08Å; Y379-Y391 AromaticContact CE2-CD2 3.7Å; Y379-Y391 HydrophobicContact CE2-CD2 3.7Å; Y379-Y391 AromaticContact CE2-CE2 3.18Å; Y379-Y391 HydrophobicContact CE2-CE2 3.18Å; Y379-Y391 AromaticContact CE2-CZ 3.88Å; Y379-Y391 AromaticContact CG-CD2 3.75Å; Y379-Y391 HydrophobicContact CG-CD2 3.75Å; Y379-Y391 AromaticContact CG-CE2 3.99Å; Y379-Y391 HydrophobicContact CG-CE2 3.99Å; Y379-Y391 AromaticContact CZ-CE2 3.53Å
380T89.4Confident84.5Confident2 Ų225 Ų251%0.01212%0.118CC..Hα-helixtrans-65.4-44.7175.4-58.60000110.9A376 E377 L378 G383 Q392 L414A376-T380 WeakPolarHBondContact O-CB 3.47Å; A376-T380 PolarHBondContact O-N 3.37Å; A376-T380 VanDerWaalsContact O-N 3.12Å; A376-T380 PolarHBondContact O-OG1 2.7Å; E377-T380 WeakPolarHBondContact O-CB 3.16Å; E377-T380 PolarHBondContact O-N 3.41Å; E377-T380 VanDerWaalsContact O-N 3.1Å; L378-T380 VanDerWaalsContact C-N 3.28Å; L378-T380 PolarHBondContact O-N 2.9Å; T380-G383 PolarHBondContact O-N 2.94Å; T380-Q392 PolarHBondContact OG1-NE2 2.9Å; T380-L414 HydrophobicContact CG2-CB 4.44Å; T380-L414 HydrophobicContact CG2-CD2 4.1Å
381L86.3Confident84.3Confident6 Ų625.7 Ų25.73%0.03112%0.12CC..Hα-helixtrans-69.1-35.6-178.5-66164.3000113.9E377 L378 G383 V609 W611 L614 F907 V909 P910E377-L381 HydrophobicContact CG-CD1 4.4Å; E377-L381 WeakPolarHBondContact O-CG 3.44Å; E377-L381 PolarHBondContact O-N 3.27Å; E377-L381 VanDerWaalsContact O-N 3.16Å; L378-L381 PolarHBondContact O-N 2.99Å; L381-G383 PolarHBondContact O-N 3.34Å; L381-V609 HydrophobicContact CD1-CG1 3.3Å; L381-V609 HydrophobicContact CD2-CG1 3.91Å; L381-V609 HydrophobicContact CG-CG1 4.06Å; L381-W611 HydrophobicContact CD1-CH2 3.77Å; L381-W611 HydrophobicContact CD1-CZ2 4.04Å; L381-W611 HydrophobicContact CD1-CZ3 4.35Å; L381-L614 HydrophobicContact CD1-CD2 4.24Å; L381-L614 HydrophobicContact CD2-CD2 4.4Å; L381-F907 HydrophobicContact CB-CE1 4.11Å; L381-F907 HydrophobicContact CB-CZ 4.08Å; L381-F907 HydrophobicContact CD1-CE1 3.66Å; L381-F907 HydrophobicContact CD1-CZ 3.91Å; L381-V909 HydrophobicContact CB-CG2 4.35Å; L381-V909 HydrophobicContact CD2-CG1 4.48Å; L381-P910 WeakPolarHBondContact O-CD 3.49Å
382L75Confident84.3Confident9 Ų925.7 Ų25.75%0.04712%0.12CC..THydrogen-bonded Turntrans-68.3-9.5175.6-69.1174.3000113.2L275 L378 T384 P908 T947L275-L382 HydrophobicContact CB-CD1 4.25Å; L275-L382 HydrophobicContact CD1-CD1 3.68Å; L275-L382 HydrophobicContact CD2-CD1 3.46Å; L275-L382 VanDerWaalsContact CD2-CD1 3.46Å; L275-L382 HydrophobicContact CG-CD1 4.01Å; L378-L382 WeakPolarHBondContact O-CG 3.25Å; L378-L382 PolarHBondContact O-N 2.86Å; L382-T384 PolarHBondContact O-N 3.49Å; L382-P908 WeakPolarHBondContact CD2-O 3.36Å; L382-T947 HydrophobicContact CD2-CG2 3.96Å
383G65.8Low84.1Confident8 Ų828 Ų288%0.08213%0.132CC..THydrogen-bonded Turntrans74.56.617300000115.3T380 L381 V385 H1325T380-G383 PolarHBondContact O-N 2.94Å; L381-G383 PolarHBondContact O-N 3.34Å; G383-V385 PolarHBondContact O-N 3.31Å; G383-H1325 VanDerWaalsContact CA-ND1 3.26Å; G383-H1325 WeakPolarHBondContact CA-ND1 3.32Å; G383-H1325 VanDerWaalsContact O-CB 3.31Å; G383-H1325 WeakPolarHBondContact O-CB 3.3Å; G383-H1325 PolarHBondContact O-ND1 2.79Å; G383-H1325 VanDerWaalsContact O-ND1 3.14Å
384T69.4Low83.7Confident24 Ų2427.9 Ų27.915%0.14713%0.132CC..  trans-74.586.5176.245.10000110.6Y379 L382 R386 E387 A388Y379-T384 PolarHBondContact O-OG1 3.45Å; L382-T384 PolarHBondContact O-N 3.49Å; T384-R386 VanDerWaalsContact C-N 3.26Å; T384-R386 PolarHBondContact O-N 3.33Å; T384-R386 VanDerWaalsContact O-N 3.12Å; T384-E387 VanDerWaalsContact CB-OE2 3.27Å; T384-E387 WeakPolarHBondContact CB-OE2 3.42Å; T384-E387 WeakPolarHBondContact CG2-OE2 3.49Å; T384-E387 PolarHBondContact O-N 2.74Å; T384-A388 VanDerWaalsContact O-CB 3.25Å; T384-A388 WeakPolarHBondContact O-CB 3.26Å; T384-A388 PolarHBondContact O-N 3.27Å
385V73.9Confident83.7Confident23 Ų2327.6 Ų27.614%0.13913%0.131CC..Hα-helixtrans-51.9-38-170.2174.10000114.2G383 R389 L418 V1322 H1325G383-V385 PolarHBondContact O-N 3.31Å; V385-R389 VanDerWaalsContact O-CG 3.27Å; V385-R389 WeakPolarHBondContact O-CG 3.36Å; V385-R389 PolarHBondContact O-N 3.4Å; V385-L418 HydrophobicContact CB-CD2 4.36Å; V385-L418 HydrophobicContact CG1-CD2 3.86Å; V385-L418 HydrophobicContact CG2-CD2 4.07Å; V385-V1322 HydrophobicContact CG1-CG1 4.46Å; V385-V1322 HydrophobicContact CG2-CB 4.16Å; V385-V1322 HydrophobicContact CG2-CG1 4.35Å; V385-H1325 HydrophobicContact CG2-CB 3.7Å; V385-H1325 WeakPolarHBondContact CG2-CD2 3.18Å; V385-H1325 VanDerWaalsContact CG2-CG 3.43Å
386R69.9Low83.8Confident173 Ų17328.5 Ų28.565%0.65314%0.136SC*.Hα-helixtrans-72.4-57-176.9-170.9-177.2-172.2-169.92.5110.9T384 A388 R389 V390T384-R386 VanDerWaalsContact C-N 3.26Å; T384-R386 PolarHBondContact O-N 3.33Å; T384-R386 VanDerWaalsContact O-N 3.12Å; R386-A388 VanDerWaalsContact C-N 3.33Å; R386-A388 PolarHBondContact O-N 2.73Å; R386-R389 PolarHBondContact O-N 3.4Å; R386-V390 PolarHBondContact O-N 3.47Å
387E73.7Confident83.5Confident49 Ų4932 Ų3223%0.22916%0.159CC..Hα-helixtrans-61.8-40.6179.3-57.192.7-81.900112.1Y379 T384 R389 V390 Y391 F948Y379-E387 HydrophobicContact CD1-CB 3.42Å; Y379-E387 VanDerWaalsContact CD1-CB 3.42Å; Y379-E387 HydrophobicContact CD1-CG 4.34Å; Y379-E387 HydrophobicContact CE1-CB 3.42Å; Y379-E387 VanDerWaalsContact CE1-CB 3.42Å; Y379-E387 HydrophobicContact CE1-CG 3.9Å; Y379-E387 HydrophobicContact CG-CB 4.34Å; T384-E387 VanDerWaalsContact CB-OE2 3.27Å; T384-E387 WeakPolarHBondContact CB-OE2 3.42Å; T384-E387 WeakPolarHBondContact CG2-OE2 3.49Å; T384-E387 PolarHBondContact O-N 2.74Å; E387-R389 VanDerWaalsContact C-N 3.3Å; E387-R389 PolarHBondContact O-N 2.83Å; E387-V390 WeakPolarHBondContact O-CB 3.27Å; E387-V390 PolarHBondContact O-N 3.01Å; E387-V390 VanDerWaalsContact O-N 3.09Å; E387-Y391 HydrophobicContact CB-CE2 4.45Å; E387-Y391 WeakPolarHBondContact O-CD2 3.25Å; E387-Y391 PolarHBondContact O-N 3.21Å; E387-F948 WeakPolarHBondContact OE2-CE2 3.21Å
388A84.4Confident83.2Confident0 Ų032.6 Ų32.60%016%0.164CC..Hα-helixtrans-56.8-43.517600000111.9T384 R386 V390 Y391 Q392 L418T384-A388 VanDerWaalsContact O-CB 3.25Å; T384-A388 WeakPolarHBondContact O-CB 3.26Å; T384-A388 PolarHBondContact O-N 3.27Å; R386-A388 VanDerWaalsContact C-N 3.33Å; R386-A388 PolarHBondContact O-N 2.73Å; A388-V390 VanDerWaalsContact C-N 3.34Å; A388-V390 PolarHBondContact O-N 2.94Å; A388-Y391 PolarHBondContact O-N 3.01Å; A388-Q392 VanDerWaalsContact O-CB 3.27Å; A388-Q392 WeakPolarHBondContact O-CB 3.5Å; A388-Q392 WeakPolarHBondContact O-CG 3.33Å; A388-Q392 PolarHBondContact O-N 3.17Å; A388-L418 HydrophobicContact CB-CD1 3.48Å; A388-L418 VanDerWaalsContact CB-CD1 3.48Å
389R86Confident83.2Confident33 Ų3332.6 Ų32.613%0.12516%0.164CC..Hα-helixtrans-66.4-32.4176.8-72.5-72164.7158.63.3113.3V385 R386 E387 N393 M415 D419V385-R389 VanDerWaalsContact O-CG 3.27Å; V385-R389 WeakPolarHBondContact O-CG 3.36Å; V385-R389 PolarHBondContact O-N 3.4Å; R386-R389 PolarHBondContact O-N 3.4Å; E387-R389 VanDerWaalsContact C-N 3.3Å; E387-R389 PolarHBondContact O-N 2.83Å; R389-N393 WeakPolarHBondContact O-CB 3.43Å; R389-N393 PolarHBondContact O-N 2.87Å; R389-N393 PolarHBondContact O-OD1 2.94Å; R389-M415 PolarHBondContact NH2-O 2.77Å; R389-D419 IonicContact CZ-OD1 2.62Å; R389-D419 IonicContact CZ-OD2 3.59Å; R389-D419 IonicContact NH1-OD1 3.77Å; R389-D419 IonicContact NH1-OD2 2.79Å; R389-D419 PolarHBondContact NH1-OD2 2.9Å; R389-D419 IonicContact NH2-OD1 2.66Å; R389-D419 PolarHBondContact NH2-OD1 3.45Å; R389-D419 IonicContact NH2-OD2 3.74Å; R389-D419 PolarHBondContact NH2-OD2 3.43Å
390V83.5Confident83.3Confident84 Ų8433.5 Ų33.551%0.50917%0.169SC..Hα-helixtrans-62.3-50.4174.8175.90000110.3R386 E387 A388 N393 E394R386-V390 PolarHBondContact O-N 3.47Å; E387-V390 WeakPolarHBondContact O-CB 3.27Å; E387-V390 PolarHBondContact O-N 3.01Å; E387-V390 VanDerWaalsContact O-N 3.09Å; A388-V390 VanDerWaalsContact C-N 3.34Å; A388-V390 PolarHBondContact O-N 2.94Å; V390-N393 PolarHBondContact O-N 3.31Å; V390-E394 PolarHBondContact O-N 2.9Å
391Y88.9Confident83Confident38 Ų3840.8 Ų40.815%0.14920%0.196CC..Hα-helixtrans-74.9-31.9-178.8-61.9-65.9000113.5T375 Y379 E387 A388 E394 L395T375-Y391 HydrophobicContact CG2-CD1 3.54Å; T375-Y391 HydrophobicContact CG2-CD2 3.85Å; T375-Y391 HydrophobicContact CG2-CE1 3.7Å; T375-Y391 HydrophobicContact CG2-CE2 4.02Å; T375-Y391 HydrophobicContact CG2-CG 3.6Å; Y379-Y391 HydrophobicContact CD1-CD2 4.37Å; Y379-Y391 HydrophobicContact CD1-CE2 4.29Å; Y379-Y391 AromaticContact CD2-CD2 3.37Å; Y379-Y391 HydrophobicContact CD2-CD2 3.37Å; Y379-Y391 AromaticContact CD2-CE2 3.42Å; Y379-Y391 HydrophobicContact CD2-CE2 3.42Å; Y379-Y391 VanDerWaalsContact CD2-CE2 3.42Å; Y379-Y391 HydrophobicContact CD2-CG 4.33Å; Y379-Y391 HydrophobicContact CE1-CE2 4.08Å; Y379-Y391 AromaticContact CE2-CD2 3.7Å; Y379-Y391 HydrophobicContact CE2-CD2 3.7Å; Y379-Y391 AromaticContact CE2-CE2 3.18Å; Y379-Y391 HydrophobicContact CE2-CE2 3.18Å; Y379-Y391 AromaticContact CE2-CZ 3.88Å; Y379-Y391 AromaticContact CG-CD2 3.75Å; Y379-Y391 HydrophobicContact CG-CD2 3.75Å; Y379-Y391 AromaticContact CG-CE2 3.99Å; Y379-Y391 HydrophobicContact CG-CE2 3.99Å; Y379-Y391 AromaticContact CZ-CE2 3.53Å; E387-Y391 HydrophobicContact CB-CE2 4.45Å; E387-Y391 WeakPolarHBondContact O-CD2 3.25Å; E387-Y391 PolarHBondContact O-N 3.21Å; A388-Y391 PolarHBondContact O-N 3.01Å; Y391-E394 PolarHBondContact O-N 3.44Å; Y391-L395 WeakPolarHBondContact O-CB 3.37Å; Y391-L395 PolarHBondContact O-N 3.13Å
392Q93.4Very high83Confident0 Ų042.7 Ų42.70%020%0.204CC..Hα-helixtrans-63.3-42.5169.5-72.3168.91.800111.5T380 A388 L395 L396 L414 M415T380-Q392 PolarHBondContact OG1-NE2 2.9Å; A388-Q392 VanDerWaalsContact O-CB 3.27Å; A388-Q392 WeakPolarHBondContact O-CB 3.5Å; A388-Q392 WeakPolarHBondContact O-CG 3.33Å; A388-Q392 PolarHBondContact O-N 3.17Å; Q392-L395 PolarHBondContact O-N 3.04Å; Q392-L396 WeakPolarHBondContact O-CB 3.45Å; Q392-L396 PolarHBondContact O-N 3.16Å; Q392-L414 HydrophobicContact CG-CB 4.02Å; Q392-L414 PolarHBondContact NE2-O 3.43Å; Q392-L414 VanDerWaalsContact NE2-O 3.14Å; Q392-M415 HydrophobicContact CB-CE 3.84Å; Q392-M415 HydrophobicContact CB-CG 3.94Å; Q392-M415 HydrophobicContact CG-CG 4.35Å; Q392-M415 WeakPolarHBondContact O-CE 3.45Å; Q392-M415 VanDerWaalsContact OE1-CG 3.3Å
393N88.6Confident83.6Confident50 Ų5042.4 Ų42.427%0.26720%0.203SC..Hα-helixtrans-66.9-40.4174.9-76.42.5000111.5R389 V390 L396 C397 M415R389-N393 WeakPolarHBondContact O-CB 3.43Å; R389-N393 PolarHBondContact O-N 2.87Å; R389-N393 PolarHBondContact O-OD1 2.94Å; V390-N393 PolarHBondContact O-N 3.31Å; N393-L396 PolarHBondContact O-N 2.82Å; N393-C397 WeakPolarHBondContact O-CB 3.44Å; N393-C397 PolarHBondContact O-N 3.28Å; N393-C397 PolarHBondContact O-SG 3.14Å; N393-C397 VanDerWaalsContact O-SG 3.33Å; N393-M415 WeakPolarHBondContact OD1-CE 3.12Å
394E87Confident84.9Confident45 Ų4542.2 Ų42.221%0.2120%0.2CC..Hα-helixtrans-60.9-46.2174.6-175.3175.5169.700111.4R282 V390 Y391 L396 C397 V398R282-E394 IonicContact CZ-OE1 3.13Å; R282-E394 IonicContact CZ-OE2 3.07Å; R282-E394 VanDerWaalsContact CZ-OE2 3.28Å; R282-E394 VanDerWaalsContact NE-CD 3.32Å; R282-E394 IonicContact NE-OE1 3.11Å; R282-E394 PolarHBondContact NE-OE1 2.75Å; R282-E394 IonicContact NE-OE2 3.17Å; R282-E394 PolarHBondContact NE-OE2 2.63Å; R282-E394 VanDerWaalsContact NE-OE2 3.13Å; R282-E394 VanDerWaalsContact NH2-CD 3.29Å; R282-E394 IonicContact NH2-OE1 2.77Å; R282-E394 PolarHBondContact NH2-OE1 2.87Å; R282-E394 IonicContact NH2-OE2 3.16Å; R282-E394 PolarHBondContact NH2-OE2 3.45Å; V390-E394 PolarHBondContact O-N 2.9Å; Y391-E394 PolarHBondContact O-N 3.44Å; E394-L396 VanDerWaalsContact C-N 3.32Å; E394-L396 PolarHBondContact O-N 3.36Å; E394-C397 PolarHBondContact O-N 3.39Å; E394-V398 WeakPolarHBondContact O-CB 3.35Å; E394-V398 VanDerWaalsContact O-CG2 3.24Å; E394-V398 WeakPolarHBondContact O-CG2 3.39Å; E394-V398 PolarHBondContact O-N 2.87Å
395L92Very high86Confident0 Ų041.1 Ų41.10%019%0.193CC..Hα-helixtrans-61.5-40.3176.2-165.868.1000112C372 H373 A376 Y391 Q392 G399 Y407 I410 A411C372-L395 HydrophobicContact CB-CD1 3.83Å; H373-L395 HydrophobicContact CB-CD1 4.31Å; A376-L395 HydrophobicContact CB-CB 4.36Å; A376-L395 HydrophobicContact CB-CD2 3.93Å; Y391-L395 WeakPolarHBondContact O-CB 3.37Å; Y391-L395 PolarHBondContact O-N 3.13Å; Q392-L395 PolarHBondContact O-N 3.04Å; L395-G399 PolarHBondContact O-N 3.1Å; L395-Y407 HydrophobicContact CD1-CD1 3.88Å; L395-I410 HydrophobicContact CD2-CB 4.27Å; L395-I410 HydrophobicContact CD2-CG2 3.69Å; L395-A411 HydrophobicContact CB-CB 4.14Å; L395-A411 HydrophobicContact CD2-CB 4.19Å; L395-A411 HydrophobicContact CG-CB 4.25Å
396L92.5Very high86.9Confident19 Ų1940.1 Ų40.110%0.09919%0.187CC..Hα-helixtrans-62.1-53.8174.1-178.359.6000110.9L51 Q392 N393 E394 V398 G399 Q400 T408 A411 M415L51-L396 HydrophobicContact CD2-CD1 4Å; Q392-L396 WeakPolarHBondContact O-CB 3.45Å; Q392-L396 PolarHBondContact O-N 3.16Å; N393-L396 PolarHBondContact O-N 2.82Å; E394-L396 VanDerWaalsContact C-N 3.32Å; E394-L396 PolarHBondContact O-N 3.36Å; L396-V398 VanDerWaalsContact C-N 3.25Å; L396-V398 PolarHBondContact O-N 3.48Å; L396-G399 CarbonylContact O-C 3.56Å; L396-G399 WeakPolarHBondContact O-CA 3.31Å; L396-G399 PolarHBondContact O-N 3.39Å; L396-Q400 HydrophobicContact CD1-CG 4.21Å; L396-Q400 HydrophobicContact CG-CG 4.32Å; L396-Q400 VanDerWaalsContact O-CG 3.25Å; L396-Q400 WeakPolarHBondContact O-CG 3.38Å; L396-Q400 PolarHBondContact O-N 3.1Å; L396-T408 HydrophobicContact CD1-CG2 3.67Å; L396-A411 HydrophobicContact CB-CB 3.81Å; L396-A411 HydrophobicContact CD1-CB 4.42Å; L396-M415 HydrophobicContact CB-CE 4.1Å; L396-M415 HydrophobicContact CD2-CE 3.8Å
397C87.4Confident88.1Confident73 Ų7332.1 Ų32.149%0.49316%0.157SC..Hα-helixtrans-62.4-31.3-179.6-67.80000113.2N393 E394 R401N393-C397 WeakPolarHBondContact O-CB 3.44Å; N393-C397 PolarHBondContact O-N 3.28Å; N393-C397 PolarHBondContact O-SG 3.14Å; N393-C397 VanDerWaalsContact O-SG 3.33Å; E394-C397 PolarHBondContact O-N 3.39Å; C397-R401 WeakPolarHBondContact O-CB 3.47Å; C397-R401 PolarHBondContact O-N 3.19Å
398V85.7Confident89.1Confident23 Ų2329.8 Ų29.814%0.13915%0.146CC..Hα-helixtrans-65.1-49.3169.5164.80000110.7L369 E394 L396 Q400 R401 F402L369-V398 HydrophobicContact CD2-CG1 3.36Å; E394-V398 WeakPolarHBondContact O-CB 3.35Å; E394-V398 VanDerWaalsContact O-CG2 3.24Å; E394-V398 WeakPolarHBondContact O-CG2 3.39Å; E394-V398 PolarHBondContact O-N 2.87Å; L396-V398 VanDerWaalsContact C-N 3.25Å; L396-V398 PolarHBondContact O-N 3.48Å; V398-Q400 PolarHBondContact O-N 3.03Å; V398-R401 PolarHBondContact O-N 3.47Å; V398-F402 HydrophobicContact CG1-CD2 4.08Å; V398-F402 HydrophobicContact CG1-CE2 4.39Å; V398-F402 WeakPolarHBondContact O-CD2 3.42Å; V398-F402 PolarHBondContact O-N 2.78Å; V398-F402 VanDerWaalsContact O-N 3.13Å
399G89Confident89.6Confident0 Ų029.8 Ų29.80%015%0.146CC..Hα-helixtrans-58.3-44.4175.800000113.2L395 L396 H403 L404L395-G399 PolarHBondContact O-N 3.1Å; L396-G399 CarbonylContact O-C 3.56Å; L396-G399 WeakPolarHBondContact O-CA 3.31Å; L396-G399 PolarHBondContact O-N 3.39Å; G399-H403 WeakPolarHBondContact O-CA 3.49Å; G399-H403 PolarHBondContact O-N 2.78Å; G399-L404 PolarHBondContact O-N 3.1Å
400Q88.4Confident90.1Very high44 Ų4428.5 Ų28.521%0.20614%0.141CC..Hα-helixtrans-62.2-45.6175.5-63.8174.1-67.500112.1L18 G50 L396 V398 F402 H403L18-Q400 WeakPolarHBondContact CD1-O 3.44Å; G50-Q400 WeakPolarHBondContact O-CG 3.38Å; G50-Q400 PolarHBondContact O-NE2 2.82Å; L396-Q400 HydrophobicContact CD1-CG 4.21Å; L396-Q400 HydrophobicContact CG-CG 4.32Å; L396-Q400 VanDerWaalsContact O-CG 3.25Å; L396-Q400 WeakPolarHBondContact O-CG 3.38Å; L396-Q400 PolarHBondContact O-N 3.1Å; V398-Q400 PolarHBondContact O-N 3.03Å; Q400-F402 PolarHBondContact O-N 2.98Å; Q400-H403 PolarHBondContact O-N 3.03Å
401R82.4Confident90.6Very high156 Ų15624.5 Ų24.559%0.58912%0.117SC*.Hα-helixtrans-67.9-33.9-175.5-176.5173.8-176.9151.73.5113.6T15 C397 V398T15-R401 PolarHBondContact OG1-O 3.04Å; T15-R401 VanDerWaalsContact OG1-O 3.12Å; C397-R401 WeakPolarHBondContact O-CB 3.47Å; C397-R401 PolarHBondContact O-N 3.19Å; V398-R401 PolarHBondContact O-N 3.47Å
402F85.6Confident91Very high45 Ų4522.7 Ų22.720%0.19711%0.11CC..Hα-helixtrans-100.73.7-178.8-71.2-70.5000114.1W362 T365 V398 Q400 L404W362-F402 AromaticContact CH2-CD1 3.9Å; W362-F402 HydrophobicContact CH2-CD1 3.9Å; W362-F402 AromaticContact CH2-CE1 3.96Å; W362-F402 HydrophobicContact CH2-CE1 3.96Å; W362-F402 HydrophobicContact CZ3-CD1 4.35Å; W362-F402 HydrophobicContact CZ3-CE1 4.33Å; T365-F402 HydrophobicContact CG2-CE1 4.24Å; T365-F402 HydrophobicContact CG2-CE2 4.25Å; T365-F402 HydrophobicContact CG2-CZ 3.86Å; V398-F402 HydrophobicContact CG1-CD2 4.08Å; V398-F402 HydrophobicContact CG1-CE2 4.39Å; V398-F402 WeakPolarHBondContact O-CD2 3.42Å; V398-F402 PolarHBondContact O-N 2.78Å; V398-F402 VanDerWaalsContact O-N 3.13Å; Q400-F402 PolarHBondContact O-N 2.98Å; F402-L404 HydrophobicContact CB-CD1 3.72Å; F402-L404 HydrophobicContact CB-CD2 4.27Å; F402-L404 HydrophobicContact CB-CG 3.63Å; F402-L404 HydrophobicContact CG-CD1 4.5Å; F402-L404 PolarHBondContact O-N 3.03Å
403H89.2Confident91.1Very high4 Ų422.7 Ų22.72%0.01911%0.11CC..THydrogen-bonded Turntrans56.444.2-175.6-60.7-91.8000113.7C14 T15 L18 P52 G399 Q400C14-H403 VanDerWaalsContact CB-CE1 3.4Å; C14-H403 WeakPolarHBondContact CB-CE1 3.5Å; C14-H403 WeakPolarHBondContact CB-NE2 3.29Å; C14-H403 PolarHBondContact O-CE1 3.47Å; C14-H403 PolarHBondContact O-NE2 2.99Å; T15-H403 PolarHBondContact N-NE2 2.73Å; T15-H403 VanDerWaalsContact N-NE2 3.17Å; L18-H403 WeakPolarHBondContact CD1-CE1 3.43Å; P52-H403 HydrophobicContact CB-CB 4.42Å; G399-H403 WeakPolarHBondContact O-CA 3.49Å; G399-H403 PolarHBondContact O-N 2.78Å; Q400-H403 PolarHBondContact O-N 3.03Å
404L92.4Very high91.4Very high4 Ų420.4 Ų20.42%0.02110%0.097CC..  trans-100.699.1-178.9-50.9175.1000110.2H99 L369 G399 F402 S406 Y407 T408H99-L404 HydrophobicContact CB-CD2 4.5Å; H99-L404 VanDerWaalsContact CE1-CD2 3.46Å; H99-L404 WeakPolarHBondContact CE1-CD2 3.39Å; H99-L404 WeakPolarHBondContact ND1-CD2 3.24Å; L369-L404 HydrophobicContact CD1-CD1 4Å; L369-L404 HydrophobicContact CD2-CD1 3.68Å; G399-L404 PolarHBondContact O-N 3.1Å; F402-L404 HydrophobicContact CB-CD1 3.72Å; F402-L404 HydrophobicContact CB-CD2 4.27Å; F402-L404 HydrophobicContact CB-CG 3.63Å; F402-L404 HydrophobicContact CG-CD1 4.5Å; F402-L404 PolarHBondContact O-N 3.03Å; L404-S406 VanDerWaalsContact C-N 3.29Å; L404-S406 PolarHBondContact O-N 2.99Å; L404-Y407 HydrophobicContact CB-CD2 3.91Å; L404-Y407 HydrophobicContact CD1-CD2 3.65Å; L404-Y407 HydrophobicContact CD1-CE2 4.18Å; L404-Y407 HydrophobicContact CD1-CG 4.32Å; L404-Y407 HydrophobicContact CG-CD2 4.36Å; L404-T408 WeakPolarHBondContact O-CB 3.46Å; L404-T408 PolarHBondContact O-N 3.36Å; L404-T408 VanDerWaalsContact O-N 3.12Å; L404-T408 PolarHBondContact O-OG1 2.99Å
405C92.8Very high91.7Very high1 Ų118.2 Ų18.21%0.0079%0.087CC..Hα-helixtrans-58.1-41.4175.6-670000111.8P52 S57 T408 Q409 I438 V593P52-C405 PolarHBondContact O-SG 2.82Å; S57-C405 PolarHBondContact OG-SG 2.94Å; C405-T408 WeakPolarHBondContact O-CB 3.33Å; C405-T408 PolarHBondContact O-N 3.23Å; C405-Q409 WeakPolarHBondContact O-CB 3.18Å; C405-Q409 WeakPolarHBondContact O-CG 3.46Å; C405-Q409 PolarHBondContact O-N 3.15Å; C405-Q409 PolarHBondContact O-OE1 2.9Å; C405-I438 HydrophobicContact CB-CG2 4.47Å; C405-V593 HydrophobicContact CB-CG2 3.91Å
406S93.1Very high91.7Very high1 Ų118.2 Ų18.21%0.0079%0.087CC..Hα-helixtrans-55.5-59.6177.947.90000113L404 T408 Q409 I410 G594L404-S406 VanDerWaalsContact C-N 3.29Å; L404-S406 PolarHBondContact O-N 2.99Å; S406-T408 VanDerWaalsContact C-N 3.27Å; S406-T408 PolarHBondContact O-N 2.88Å; S406-Q409 WeakPolarHBondContact O-CB 3.13Å; S406-Q409 PolarHBondContact O-N 3.04Å; S406-Q409 VanDerWaalsContact O-N 3.11Å; S406-I410 VanDerWaalsContact O-CG1 3.29Å; S406-I410 WeakPolarHBondContact O-CG1 3.36Å; S406-I410 PolarHBondContact O-N 2.76Å; S406-G594 WeakPolarHBondContact CB-O 3.42Å
407Y94.4Very high91.6Very high6 Ų617.8 Ų17.82%0.0249%0.085CC..Hα-helixtrans-63.5-32.6-179.7-68.9-89.1000112.6L369 H373 L395 L404 A411L369-Y407 HydrophobicContact CB-CE1 3.85Å; L369-Y407 HydrophobicContact CB-CE2 4.46Å; L369-Y407 HydrophobicContact CD1-CE2 4.2Å; L369-Y407 HydrophobicContact CD2-CD1 4.43Å; L369-Y407 HydrophobicContact CD2-CD2 4.47Å; L369-Y407 HydrophobicContact CD2-CE1 4.38Å; L369-Y407 HydrophobicContact CD2-CE2 4.42Å; L369-Y407 HydrophobicContact CD2-CG 4.47Å; H373-Y407 HydrophobicContact CB-CE1 4.16Å; L395-Y407 HydrophobicContact CD1-CD1 3.88Å; L404-Y407 HydrophobicContact CB-CD2 3.91Å; L404-Y407 HydrophobicContact CD1-CD2 3.65Å; L404-Y407 HydrophobicContact CD1-CE2 4.18Å; L404-Y407 HydrophobicContact CD1-CG 4.32Å; L404-Y407 HydrophobicContact CG-CD2 4.36Å; Y407-A411 WeakPolarHBondContact O-CB 3.48Å; Y407-A411 PolarHBondContact O-N 3.48Å
408T94.6Very high91.6Very high0 Ų014.3 Ų14.30%06%0.061CC..Hα-helixtrans-64.5-47.1171.5-55.90000111.5L51 P52 L396 L404 C405 S406 A411 L412 I438L51-T408 HydrophobicContact CD2-CG2 3.93Å; P52-T408 HydrophobicContact CG-CG2 4.07Å; P52-T408 WeakPolarHBondContact CG-OG1 3.49Å; L396-T408 HydrophobicContact CD1-CG2 3.67Å; L404-T408 WeakPolarHBondContact O-CB 3.46Å; L404-T408 PolarHBondContact O-N 3.36Å; L404-T408 VanDerWaalsContact O-N 3.12Å; L404-T408 PolarHBondContact O-OG1 2.99Å; C405-T408 WeakPolarHBondContact O-CB 3.33Å; C405-T408 PolarHBondContact O-N 3.23Å; S406-T408 VanDerWaalsContact C-N 3.27Å; S406-T408 PolarHBondContact O-N 2.88Å; T408-A411 PolarHBondContact O-N 3.4Å; T408-L412 HydrophobicContact CG2-CD1 4.14Å; T408-L412 WeakPolarHBondContact O-CB 3.4Å; T408-L412 VanDerWaalsContact O-CG 3.31Å; T408-L412 WeakPolarHBondContact O-CG 3.24Å; T408-L412 PolarHBondContact O-N 2.65Å; T408-I438 HydrophobicContact CG2-CD1 3.65Å
409Q95.2Very high91.6Very high0 Ų013.2 Ų13.20%06%0.055CC..Hα-helixtrans-63.2-44.8175.9-71.7166.8-61.900111.2C405 S406 A411 L412 N413 L435 F590 L596C405-Q409 WeakPolarHBondContact O-CB 3.18Å; C405-Q409 WeakPolarHBondContact O-CG 3.46Å; C405-Q409 PolarHBondContact O-N 3.15Å; C405-Q409 PolarHBondContact O-OE1 2.9Å; S406-Q409 WeakPolarHBondContact O-CB 3.13Å; S406-Q409 PolarHBondContact O-N 3.04Å; S406-Q409 VanDerWaalsContact O-N 3.11Å; Q409-A411 VanDerWaalsContact C-N 3.35Å; Q409-A411 PolarHBondContact O-N 3.03Å; Q409-L412 PolarHBondContact O-N 3.13Å; Q409-N413 VanDerWaalsContact O-CB 3.28Å; Q409-N413 WeakPolarHBondContact O-CB 3.46Å; Q409-N413 PolarHBondContact O-N 3.34Å; Q409-N413 PolarHBondContact O-ND2 3.43Å; Q409-L435 HydrophobicContact CB-CD2 4.06Å; Q409-L435 HydrophobicContact CG-CD2 3.95Å; Q409-F590 VanDerWaalsContact NE2-CE1 3.29Å; Q409-L596 HydrophobicContact CB-CD1 4.08Å; Q409-L596 HydrophobicContact CB-CG 4.24Å; Q409-L596 PolarHBondContact NE2-O 3.17Å
410I95.5Very high91.3Very high6 Ų613.7 Ų13.73%0.0316%0.057CC..Hα-helixtrans-55.4-51.1175.2-66.1165.8000109.8L395 S406 L412 N413 L414 L596 L604L395-I410 HydrophobicContact CD2-CB 4.27Å; L395-I410 HydrophobicContact CD2-CG2 3.69Å; S406-I410 VanDerWaalsContact O-CG1 3.29Å; S406-I410 WeakPolarHBondContact O-CG1 3.36Å; S406-I410 PolarHBondContact O-N 2.76Å; I410-L412 PolarHBondContact O-N 3.5Å; I410-N413 PolarHBondContact O-N 3Å; I410-L414 HydrophobicContact CG2-CD1 3.87Å; I410-L414 HydrophobicContact CG2-CG 4.34Å; I410-L414 WeakPolarHBondContact O-CB 3.44Å; I410-L414 WeakPolarHBondContact O-CG 3.3Å; I410-L414 PolarHBondContact O-N 3.47Å; I410-L596 HydrophobicContact CG1-CD1 3.85Å; I410-L596 HydrophobicContact CG1-CD2 4.37Å; I410-L596 HydrophobicContact CG1-CG 4.43Å; I410-L604 HydrophobicContact CG1-CD1 4.48Å
411A95.3Very high90.8Very high0 Ų012.6 Ų12.60%05%0.052CC..Hα-helixtrans-58.6-46.117800000112.2L395 L396 Y407 T408 Q409 L414 M415L395-A411 HydrophobicContact CB-CB 4.14Å; L395-A411 HydrophobicContact CD2-CB 4.19Å; L395-A411 HydrophobicContact CG-CB 4.25Å; L396-A411 HydrophobicContact CB-CB 3.81Å; L396-A411 HydrophobicContact CD1-CB 4.42Å; Y407-A411 WeakPolarHBondContact O-CB 3.48Å; Y407-A411 PolarHBondContact O-N 3.48Å; T408-A411 PolarHBondContact O-N 3.4Å; Q409-A411 VanDerWaalsContact C-N 3.35Å; Q409-A411 PolarHBondContact O-N 3.03Å; A411-L414 PolarHBondContact O-N 3.39Å; A411-M415 WeakPolarHBondContact O-CB 3.39Å; A411-M415 VanDerWaalsContact O-CG 3.22Å; A411-M415 WeakPolarHBondContact O-CG 3.45Å; A411-M415 PolarHBondContact O-N 2.86Å
412L95.6Very high90.5Very high0 Ų05.2 Ų5.20%02%0.024CC..Hα-helixtrans-65.5-37.4177.2-70.5171.9000113.1T408 Q409 I410 M415 A416 Q434 L435 I438T408-L412 HydrophobicContact CG2-CD1 4.14Å; T408-L412 WeakPolarHBondContact O-CB 3.4Å; T408-L412 VanDerWaalsContact O-CG 3.31Å; T408-L412 WeakPolarHBondContact O-CG 3.24Å; T408-L412 PolarHBondContact O-N 2.65Å; Q409-L412 PolarHBondContact O-N 3.13Å; I410-L412 PolarHBondContact O-N 3.5Å; L412-M415 PolarHBondContact O-N 2.93Å; L412-A416 VanDerWaalsContact O-CB 3.26Å; L412-A416 WeakPolarHBondContact O-CB 3.2Å; L412-A416 PolarHBondContact O-N 3.05Å; L412-Q434 HydrophobicContact CD1-CB 3.83Å; L412-Q434 HydrophobicContact CD2-CB 3.99Å; L412-Q434 VanDerWaalsContact CD2-OE1 3.29Å; L412-L435 HydrophobicContact CB-CD2 3.91Å; L412-L435 HydrophobicContact CB-CG 4.11Å; L412-L435 HydrophobicContact CD1-CD2 4.14Å; L412-L435 HydrophobicContact CD1-CG 4.35Å; L412-I438 HydrophobicContact CD1-CD1 3.56Å
413N95.8Very high90Very high0 Ų04.3 Ų4.30%02%0.02CC..Hα-helixtrans-67.3-44.2176.8-70.2-35000111.3Q409 I410 A416 H417 L435 C601 L604 I605Q409-N413 VanDerWaalsContact O-CB 3.28Å; Q409-N413 WeakPolarHBondContact O-CB 3.46Å; Q409-N413 PolarHBondContact O-N 3.34Å; Q409-N413 PolarHBondContact O-ND2 3.43Å; I410-N413 PolarHBondContact O-N 3Å; N413-A416 PolarHBondContact O-N 3.14Å; N413-H417 WeakPolarHBondContact O-CB 3.41Å; N413-H417 PolarHBondContact O-N 3.17Å; N413-L435 VanDerWaalsContact OD1-CD1 3.23Å; N413-L435 WeakPolarHBondContact OD1-CD1 3.19Å; N413-C601 WeakPolarHBondContact ND2-CA 3.39Å; N413-C601 PolarHBondContact ND2-SG 2.86Å; N413-C601 VanDerWaalsContact ND2-SG 3.45Å; N413-L604 HydrophobicContact CB-CB 3.69Å; N413-L604 HydrophobicContact CB-CD1 4.25Å; N413-I605 HydrophobicContact CB-CG1 4.01Å; N413-I605 WeakPolarHBondContact OD1-CD1 3.44Å; N413-I605 WeakPolarHBondContact OD1-CG1 3.38Å
414L94.9Very high89.3Confident1 Ų19 Ų91%0.0054%0.038CC..Hα-helixtrans-66-39.4174.3-67.8174.7000111.5A376 E377 T380 Q392 I410 A411 L418 G608A376-L414 HydrophobicContact CB-CD1 3.99Å; E377-L414 HydrophobicContact CB-CD1 4.49Å; T380-L414 HydrophobicContact CG2-CB 4.44Å; T380-L414 HydrophobicContact CG2-CD2 4.1Å; Q392-L414 HydrophobicContact CG-CB 4.02Å; Q392-L414 PolarHBondContact NE2-O 3.43Å; Q392-L414 VanDerWaalsContact NE2-O 3.14Å; I410-L414 HydrophobicContact CG2-CD1 3.87Å; I410-L414 HydrophobicContact CG2-CG 4.34Å; I410-L414 WeakPolarHBondContact O-CB 3.44Å; I410-L414 WeakPolarHBondContact O-CG 3.3Å; I410-L414 PolarHBondContact O-N 3.47Å; A411-L414 PolarHBondContact O-N 3.39Å; L414-L418 WeakPolarHBondContact O-CB 3.38Å; L414-L418 PolarHBondContact O-N 2.69Å; L414-G608 VanDerWaalsContact CD2-O 3.27Å; L414-G608 WeakPolarHBondContact CD2-O 3.47Å
415M93.8Very high88.5Confident0 Ų012 Ų120%05%0.051CC..Hα-helixtrans-61.2-43.1171.7-77.6-175.8-161.700111.7R389 Q392 N393 L396 A411 L412 L418 D419 R431R389-M415 PolarHBondContact NH2-O 2.77Å; Q392-M415 HydrophobicContact CB-CE 3.84Å; Q392-M415 HydrophobicContact CB-CG 3.94Å; Q392-M415 HydrophobicContact CG-CG 4.35Å; Q392-M415 WeakPolarHBondContact O-CE 3.45Å; Q392-M415 VanDerWaalsContact OE1-CG 3.3Å; N393-M415 WeakPolarHBondContact OD1-CE 3.12Å; L396-M415 HydrophobicContact CB-CE 4.1Å; L396-M415 HydrophobicContact CD2-CE 3.8Å; A411-M415 WeakPolarHBondContact O-CB 3.39Å; A411-M415 VanDerWaalsContact O-CG 3.22Å; A411-M415 WeakPolarHBondContact O-CG 3.45Å; A411-M415 PolarHBondContact O-N 2.86Å; L412-M415 PolarHBondContact O-N 2.93Å; M415-L418 PolarHBondContact O-N 3.18Å; M415-D419 WeakPolarHBondContact O-CB 3.42Å; M415-D419 PolarHBondContact O-N 3.03Å; M415-D419 VanDerWaalsContact O-OD2 3.05Å; M415-R431 HydrophobicContact CB-CG 4.02Å
416A91.7Very high87.8Confident0 Ų017.9 Ų17.90%07%0.074CC..Hα-helixtrans-68.1-44.7178.900000111.9L412 N413 L418 D419 M420 F428 R431 I605L412-A416 VanDerWaalsContact O-CB 3.26Å; L412-A416 WeakPolarHBondContact O-CB 3.2Å; L412-A416 PolarHBondContact O-N 3.05Å; N413-A416 PolarHBondContact O-N 3.14Å; A416-L418 VanDerWaalsContact C-N 3.28Å; A416-L418 PolarHBondContact O-N 2.86Å; A416-D419 PolarHBondContact O-N 2.86Å; A416-M420 WeakPolarHBondContact O-CB 3.44Å; A416-M420 PolarHBondContact O-N 3.28Å; A416-F428 HydrophobicContact CB-CD2 4.08Å; A416-F428 HydrophobicContact CB-CE2 4.19Å; A416-F428 VanDerWaalsContact O-CD2 3.26Å; A416-F428 WeakPolarHBondContact O-CD2 3.24Å; A416-R431 HydrophobicContact CB-CB 3.71Å; A416-R431 HydrophobicContact CB-CG 4.06Å; A416-I605 HydrophobicContact CB-CG1 4.03Å; A416-I605 HydrophobicContact CB-CG2 4.16Å
417H90.9Very high87.2Confident9 Ų918.5 Ų18.54%0.0428%0.079CC..Hα-helixtrans-52-50.6170.8179.284.1000110.5N413 M420 F421 I605 G608N413-H417 WeakPolarHBondContact O-CB 3.41Å; N413-H417 PolarHBondContact O-N 3.17Å; H417-M420 WeakPolarHBondContact O-CB 3.14Å; H417-M420 PolarHBondContact O-N 2.92Å; H417-F421 AromaticContact CE1-CD2 3.7Å; H417-F421 AromaticContact CE1-CE2 3.33Å; H417-F421 WeakPolarHBondContact CE1-CE2 3.28Å; H417-F421 AromaticContact ND1-CE2 3.89Å; H417-F421 AromaticContact NE2-CD2 3.73Å; H417-F421 AromaticContact NE2-CE2 3.74Å; H417-F421 WeakPolarHBondContact O-CD2 3.26Å; H417-F421 PolarHBondContact O-N 3.25Å; H417-I605 WeakPolarHBondContact CA-O 3.33Å; H417-I605 VanDerWaalsContact CB-O 3.32Å; H417-I605 WeakPolarHBondContact CB-O 3.32Å; H417-I605 PolarHBondContact ND1-O 2.96Å; H417-G608 PolarHBondContact CE1-N 3.28Å; H417-G608 PolarHBondContact ND1-N 3.35Å
418L87.5Confident86.8Confident0 Ų018.2 Ų18.20%08%0.078CC..Hα-helixtrans-65-42.7178-159.5162.9000111.5V385 A388 L414 M415 A416 M420 F421 A422V385-L418 HydrophobicContact CB-CD2 4.36Å; V385-L418 HydrophobicContact CG1-CD2 3.86Å; V385-L418 HydrophobicContact CG2-CD2 4.07Å; A388-L418 HydrophobicContact CB-CD1 3.48Å; A388-L418 VanDerWaalsContact CB-CD1 3.48Å; L414-L418 WeakPolarHBondContact O-CB 3.38Å; L414-L418 PolarHBondContact O-N 2.69Å; M415-L418 PolarHBondContact O-N 3.18Å; A416-L418 VanDerWaalsContact C-N 3.28Å; A416-L418 PolarHBondContact O-N 2.86Å; L418-M420 VanDerWaalsContact C-N 3.29Å; L418-M420 PolarHBondContact O-N 2.77Å; L418-F421 PolarHBondContact O-N 2.94Å; L418-A422 HydrophobicContact CD2-CB 4.15Å; L418-A422 WeakPolarHBondContact O-CA 3.48Å; L418-A422 WeakPolarHBondContact O-CB 3.45Å; L418-A422 PolarHBondContact O-N 3.45Å
419D85.9Confident86.2Confident1 Ų120.2 Ų20.21%0.0059%0.087CC..Hα-helixtrans-64.6-31.7178-77.4-42.3000112.2R389 M415 A416 Q423 R424 A427 F428 R431R389-D419 IonicContact CZ-OD1 2.62Å; R389-D419 IonicContact CZ-OD2 3.59Å; R389-D419 IonicContact NH1-OD1 3.77Å; R389-D419 IonicContact NH1-OD2 2.79Å; R389-D419 PolarHBondContact NH1-OD2 2.9Å; R389-D419 IonicContact NH2-OD1 2.66Å; R389-D419 PolarHBondContact NH2-OD1 3.45Å; R389-D419 IonicContact NH2-OD2 3.74Å; R389-D419 PolarHBondContact NH2-OD2 3.43Å; M415-D419 WeakPolarHBondContact O-CB 3.42Å; M415-D419 PolarHBondContact O-N 3.03Å; M415-D419 VanDerWaalsContact O-OD2 3.05Å; A416-D419 PolarHBondContact O-N 2.86Å; D419-Q423 PolarHBondContact O-N 3.45Å; D419-R424 HydrophobicContact CB-CB 4.22Å; D419-R424 PolarHBondContact O-N 3.1Å; D419-R424 VanDerWaalsContact OD1-CD 3.28Å; D419-R424 WeakPolarHBondContact OD1-CD 3.43Å; D419-A427 HydrophobicContact CB-CB 4.21Å; D419-A427 VanDerWaalsContact CG-CB 3.45Å; D419-A427 WeakPolarHBondContact OD1-CB 3.4Å; D419-F428 HydrophobicContact CB-CB 4.01Å; D419-R431 IonicContact OD2-NE 2.67Å; D419-R431 PolarHBondContact OD2-NE 3.29Å
420M82.6Confident85.7Confident9 Ų921.3 Ų21.34%0.0449%0.093CC..Hα-helixtrans-67.2-51.5172.4-177.7179.565.700111.8A416 H417 L418 A422 Q423 F428 P547 I605 L606A416-M420 WeakPolarHBondContact O-CB 3.44Å; A416-M420 PolarHBondContact O-N 3.28Å; H417-M420 WeakPolarHBondContact O-CB 3.14Å; H417-M420 PolarHBondContact O-N 2.92Å; L418-M420 VanDerWaalsContact C-N 3.29Å; L418-M420 PolarHBondContact O-N 2.77Å; M420-A422 VanDerWaalsContact C-N 3.31Å; M420-A422 PolarHBondContact O-N 3.04Å; M420-Q423 PolarHBondContact O-N 3.34Å; M420-Q423 VanDerWaalsContact O-N 3.16Å; M420-F428 HydrophobicContact CB-CD2 3.89Å; M420-F428 HydrophobicContact CB-CE2 3.85Å; M420-F428 HydrophobicContact CG-CE2 4.43Å; M420-F428 HydrophobicContact SD-CE2 4.45Å; M420-P547 HydrophobicContact SD-CG 3.6Å; M420-I605 WeakPolarHBondContact CE-O 3.27Å; M420-L606 HydrophobicContact CE-CD2 4.14Å; M420-L606 HydrophobicContact SD-CD2 4.09Å
421F76.9Confident85.5Confident22 Ų2223.1 Ų23.110%0.09610%0.099CC..Hα-helixtrans-69.3-28.2177.3-83.8-93.5000112.9H417 L418 Q423 F631 N911 G1323 R1324H417-F421 AromaticContact CE1-CD2 3.7Å; H417-F421 AromaticContact CE1-CE2 3.33Å; H417-F421 WeakPolarHBondContact CE1-CE2 3.28Å; H417-F421 AromaticContact ND1-CE2 3.89Å; H417-F421 AromaticContact NE2-CD2 3.73Å; H417-F421 AromaticContact NE2-CE2 3.74Å; H417-F421 WeakPolarHBondContact O-CD2 3.26Å; H417-F421 PolarHBondContact O-N 3.25Å; L418-F421 PolarHBondContact O-N 2.94Å; F421-Q423 VanDerWaalsContact C-N 3.25Å; F421-Q423 PolarHBondContact O-N 3.19Å; F421-F631 AromaticContact CD1-CE1 3.68Å; F421-F631 HydrophobicContact CD1-CE1 3.68Å; F421-F631 HydrophobicContact CD1-CZ 4.01Å; F421-F631 AromaticContact CE1-CE1 3.76Å; F421-F631 HydrophobicContact CE1-CE1 3.76Å; F421-F631 AromaticContact CE1-CZ 3.6Å; F421-F631 HydrophobicContact CE1-CZ 3.6Å; F421-F631 HydrophobicContact CG-CE1 4.16Å; F421-F631 HydrophobicContact CZ-CE1 4.29Å; F421-F631 HydrophobicContact CZ-CZ 4.05Å; F421-N911 WeakPolarHBondContact CD1-ND2 3.5Å; F421-N911 HydrophobicContact CE1-CB 4.09Å; F421-G1323 CarbonylContact O-C 3.43Å; F421-G1323 WeakPolarHBondContact O-CA 3.17Å; F421-R1324 HydrophobicContact CD1-CB 4.42Å; F421-R1324 PolarHBondContact O-N 3.05Å
422A76.7Confident85.2Confident0 Ų023.2 Ų23.20%010%0.1CC..THydrogen-bonded Turntrans-76.4-4.8172.300000114.1L418 M420 R424 V1322 G1323L418-A422 HydrophobicContact CD2-CB 4.15Å; L418-A422 WeakPolarHBondContact O-CA 3.48Å; L418-A422 WeakPolarHBondContact O-CB 3.45Å; L418-A422 PolarHBondContact O-N 3.45Å; M420-A422 VanDerWaalsContact C-N 3.31Å; M420-A422 PolarHBondContact O-N 3.04Å; A422-R424 HydrophobicContact CB-CG 3.94Å; A422-V1322 HydrophobicContact CB-CG1 3.59Å; A422-G1323 WeakPolarHBondContact O-CA 3.19Å; A422-G1323 PolarHBondContact O-N 3.17Å
423Q74.5Confident84.8Confident26 Ų2628.3 Ų28.312%0.12112%0.119CC..THydrogen-bonded Turntrans5546.4-174.9-63.6-179.7-9.900113.3D419 M420 F421 H630 L632D419-Q423 PolarHBondContact O-N 3.45Å; M420-Q423 PolarHBondContact O-N 3.34Å; M420-Q423 VanDerWaalsContact O-N 3.16Å; F421-Q423 VanDerWaalsContact C-N 3.25Å; F421-Q423 PolarHBondContact O-N 3.19Å; Q423-H630 PolarHBondContact NE2-O 3.02Å; Q423-L632 VanDerWaalsContact C-CD1 3.5Å; Q423-L632 HydrophobicContact CB-CD1 3.82Å; Q423-L632 HydrophobicContact CB-CG 4.15Å; Q423-L632 HydrophobicContact CG-CG 4.42Å; Q423-L632 VanDerWaalsContact O-CD1 3.26Å; Q423-L632 WeakPolarHBondContact O-CD1 3.21Å
424R75.5Confident84.5Confident104 Ų10429.2 Ų29.239%0.39212%0.123SC..  trans-110.571.7-179.2-66.5176.2171.6-174.2-3.5111.7D419 A422 W426 A427 F428D419-R424 HydrophobicContact CB-CB 4.22Å; D419-R424 PolarHBondContact O-N 3.1Å; D419-R424 VanDerWaalsContact OD1-CD 3.28Å; D419-R424 WeakPolarHBondContact OD1-CD 3.43Å; A422-R424 HydrophobicContact CB-CG 3.94Å; R424-W426 PolarHBondContact O-N 2.71Å; R424-A427 HydrophobicContact CB-CB 4.04Å; R424-A427 PolarHBondContact O-N 2.82Å; R424-A427 VanDerWaalsContact O-N 3.08Å; R424-F428 PolarHBondContact O-N 3.29Å
425Q75.1Confident84.4Confident65 Ų6529.1 Ų29.130%0.30412%0.123SC..Hα-helixtrans-48.8-52.6-173.2177.8176.4-12.500113.9A427 F428 E429 L632 A634Q425-A427 VanDerWaalsContact C-N 3.32Å; Q425-A427 PolarHBondContact O-N 3.26Å; Q425-F428 WeakPolarHBondContact O-CB 3.36Å; Q425-F428 PolarHBondContact O-N 2.97Å; Q425-E429 HydrophobicContact CG-CG 4.25Å; Q425-E429 VanDerWaalsContact CG-OE1 3.28Å; Q425-E429 WeakPolarHBondContact CG-OE1 3.24Å; Q425-E429 PolarHBondContact NE2-OE1 2.97Å; Q425-E429 WeakPolarHBondContact O-CG 3.43Å; Q425-E429 PolarHBondContact O-N 3.34Å; Q425-L632 HydrophobicContact CB-CD1 4.03Å; Q425-A634 HydrophobicContact CG-CB 4.49Å
426W77.6Confident84.2Confident126 Ų12630.7 Ų30.748%0.47713%0.131SC..Hα-helixtrans-59.5-41.5-178.9176.484.4000112.7R424 L430 L514R424-W426 PolarHBondContact O-N 2.71Å; W426-L430 HydrophobicContact CH2-CD2 3.79Å; W426-L430 HydrophobicContact CZ2-CD2 4.26Å; W426-L430 HydrophobicContact CZ3-CD2 3.99Å; W426-L430 VanDerWaalsContact O-CB 3.24Å; W426-L430 WeakPolarHBondContact O-CB 3.44Å; W426-L430 PolarHBondContact O-N 3.32Å; W426-L514 HydrophobicContact CE3-CD1 4.48Å; W426-L514 HydrophobicContact CE3-CD2 4.24Å; W426-L514 HydrophobicContact CH2-CD2 3.91Å; W426-L514 HydrophobicContact CH2-CG 4.31Å; W426-L514 HydrophobicContact CZ3-CD1 3.96Å; W426-L514 HydrophobicContact CZ3-CD2 3.72Å; W426-L514 HydrophobicContact CZ3-CG 3.96Å
427A81.4Confident84Confident13 Ų1332 Ų3211%0.10714%0.137CC..Hα-helixtrans-70.3-37.1178.200000111.8D419 R424 Q425 L430 R431D419-A427 HydrophobicContact CB-CB 4.21Å; D419-A427 VanDerWaalsContact CG-CB 3.45Å; D419-A427 WeakPolarHBondContact OD1-CB 3.4Å; R424-A427 HydrophobicContact CB-CB 4.04Å; R424-A427 PolarHBondContact O-N 2.82Å; R424-A427 VanDerWaalsContact O-N 3.08Å; Q425-A427 VanDerWaalsContact C-N 3.32Å; Q425-A427 PolarHBondContact O-N 3.26Å; A427-L430 WeakPolarHBondContact O-CB 3.4Å; A427-L430 PolarHBondContact O-N 3Å; A427-R431 VanDerWaalsContact O-CG 3.31Å; A427-R431 WeakPolarHBondContact O-CG 3.39Å; A427-R431 PolarHBondContact O-N 3.42Å; A427-R431 VanDerWaalsContact O-N 3.07Å
428F85.9Confident84.1Confident1 Ų131.6 Ų31.60%0.00414%0.135CC..Hα-helixtrans-60.8-55172.9177.9-108.8000111.3A416 D419 M420 R424 Q425 L430 R431 L432 P547 I552 I605 A634 L635A416-F428 HydrophobicContact CB-CD2 4.08Å; A416-F428 HydrophobicContact CB-CE2 4.19Å; A416-F428 VanDerWaalsContact O-CD2 3.26Å; A416-F428 WeakPolarHBondContact O-CD2 3.24Å; D419-F428 HydrophobicContact CB-CB 4.01Å; M420-F428 HydrophobicContact CB-CD2 3.89Å; M420-F428 HydrophobicContact CB-CE2 3.85Å; M420-F428 HydrophobicContact CG-CE2 4.43Å; M420-F428 HydrophobicContact SD-CE2 4.45Å; R424-F428 PolarHBondContact O-N 3.29Å; Q425-F428 WeakPolarHBondContact O-CB 3.36Å; Q425-F428 PolarHBondContact O-N 2.97Å; F428-L430 VanDerWaalsContact C-N 3.26Å; F428-L430 PolarHBondContact O-N 2.85Å; F428-R431 PolarHBondContact O-N 2.82Å; F428-L432 HydrophobicContact CD1-CD1 4.16Å; F428-L432 HydrophobicContact CE1-CD1 3.68Å; F428-L432 HydrophobicContact CE1-CG 4.48Å; F428-L432 HydrophobicContact CZ-CD1 3.96Å; F428-L432 HydrophobicContact CZ-CD2 4.5Å; F428-L432 PolarHBondContact O-N 3.27Å; F428-L432 VanDerWaalsContact O-N 3.16Å; F428-P547 HydrophobicContact CZ-CG 4.44Å; F428-I552 HydrophobicContact CZ-CD1 4.3Å; F428-I552 HydrophobicContact CZ-CG1 4.42Å; F428-I605 HydrophobicContact CE2-CG2 3.76Å; F428-I605 HydrophobicContact CZ-CG2 4.26Å; F428-A634 HydrophobicContact CD1-CB 3.68Å; F428-A634 HydrophobicContact CE1-CB 3.9Å; F428-L635 HydrophobicContact CE1-CD1 4.18Å; F428-L635 HydrophobicContact CE1-CG 4.11Å
429E82.8Confident84.1Confident41 Ų4132.3 Ų32.319%0.19214%0.141CC..Hα-helixtrans-58.7-38.1176.4-65.8176.7-160.600112Q425 R431 L432 R433Q425-E429 HydrophobicContact CG-CG 4.25Å; Q425-E429 VanDerWaalsContact CG-OE1 3.28Å; Q425-E429 WeakPolarHBondContact CG-OE1 3.24Å; Q425-E429 PolarHBondContact NE2-OE1 2.97Å; Q425-E429 WeakPolarHBondContact O-CG 3.43Å; Q425-E429 PolarHBondContact O-N 3.34Å; E429-R431 VanDerWaalsContact C-N 3.32Å; E429-R431 PolarHBondContact O-N 3.28Å; E429-L432 PolarHBondContact O-N 3.31Å; E429-R433 WeakPolarHBondContact O-CG 3.5Å; E429-R433 PolarHBondContact O-N 3.16Å; E429-R433 IonicContact OE2-CZ 3.32Å; E429-R433 VanDerWaalsContact OE2-CZ 3.28Å; E429-R433 IonicContact OE2-NH1 2.61Å; E429-R433 PolarHBondContact OE2-NH1 3.04Å; E429-R433 IonicContact OE2-NH2 3.28Å; E429-R433 PolarHBondContact OE2-NH2 2.81Å
430L84.6Confident84.1Confident23 Ų2335.6 Ų35.612%0.1216%0.161CC..Hα-helixtrans-58.2-42.5174179.266.8000111.3Y48 W426 A427 F428 L432 R433 Q434Y48-L430 HydrophobicContact CE1-CD1 3.87Å; W426-L430 HydrophobicContact CH2-CD2 3.79Å; W426-L430 HydrophobicContact CZ2-CD2 4.26Å; W426-L430 HydrophobicContact CZ3-CD2 3.99Å; W426-L430 VanDerWaalsContact O-CB 3.24Å; W426-L430 WeakPolarHBondContact O-CB 3.44Å; W426-L430 PolarHBondContact O-N 3.32Å; A427-L430 WeakPolarHBondContact O-CB 3.4Å; A427-L430 PolarHBondContact O-N 3Å; F428-L430 VanDerWaalsContact C-N 3.26Å; F428-L430 PolarHBondContact O-N 2.85Å; L430-L432 VanDerWaalsContact C-N 3.34Å; L430-L432 PolarHBondContact O-N 3.18Å; L430-R433 PolarHBondContact O-N 3.16Å; L430-Q434 WeakPolarHBondContact O-CB 3.29Å; L430-Q434 VanDerWaalsContact O-CG 3.27Å; L430-Q434 WeakPolarHBondContact O-CG 3.24Å; L430-Q434 PolarHBondContact O-N 3.36Å
431R89.6Confident84.3Confident44 Ų4435.9 Ų35.917%0.16616%0.164CC..Hα-helixtrans-65.2-38.1176.5-55.4-36163.7-174.1-0.3112M415 A416 D419 A427 F428 E429 Q434 L435M415-R431 HydrophobicContact CB-CG 4.02Å; A416-R431 HydrophobicContact CB-CB 3.71Å; A416-R431 HydrophobicContact CB-CG 4.06Å; D419-R431 IonicContact OD2-NE 2.67Å; D419-R431 PolarHBondContact OD2-NE 3.29Å; A427-R431 VanDerWaalsContact O-CG 3.31Å; A427-R431 WeakPolarHBondContact O-CG 3.39Å; A427-R431 PolarHBondContact O-N 3.42Å; A427-R431 VanDerWaalsContact O-N 3.07Å; F428-R431 PolarHBondContact O-N 2.82Å; E429-R431 VanDerWaalsContact C-N 3.32Å; E429-R431 PolarHBondContact O-N 3.28Å; R431-Q434 VanDerWaalsContact CD-OE1 3.25Å; R431-Q434 PolarHBondContact O-N 2.81Å; R431-L435 WeakPolarHBondContact O-CG 3.46Å; R431-L435 PolarHBondContact O-N 3.24Å
432L89.5Confident84.8Confident3 Ų341.8 Ų41.82%0.01619%0.192CC..Hα-helixtrans-66.3-39.4175.8-54.2-176.6000111.7F428 E429 L430 L435 N436 I552 A555 I556 I605 L635F428-L432 HydrophobicContact CD1-CD1 4.16Å; F428-L432 HydrophobicContact CE1-CD1 3.68Å; F428-L432 HydrophobicContact CE1-CG 4.48Å; F428-L432 HydrophobicContact CZ-CD1 3.96Å; F428-L432 HydrophobicContact CZ-CD2 4.5Å; F428-L432 PolarHBondContact O-N 3.27Å; F428-L432 VanDerWaalsContact O-N 3.16Å; E429-L432 PolarHBondContact O-N 3.31Å; L430-L432 VanDerWaalsContact C-N 3.34Å; L430-L432 PolarHBondContact O-N 3.18Å; L432-L435 HydrophobicContact CD2-CD1 4.39Å; L432-L435 PolarHBondContact O-N 3.41Å; L432-N436 PolarHBondContact O-N 3.21Å; L432-I552 HydrophobicContact CD1-CG2 4.49Å; L432-I552 HydrophobicContact CD2-CG2 3.89Å; L432-A555 HydrophobicContact CB-CB 4.49Å; L432-A555 HydrophobicContact CD1-CB 3.82Å; L432-I556 HydrophobicContact CB-CG1 4.26Å; L432-I556 HydrophobicContact CD2-CD1 4.08Å; L432-I556 HydrophobicContact CD2-CG1 3.86Å; L432-I605 HydrophobicContact CD2-CD1 3.8Å; L432-L635 HydrophobicContact CD1-CD1 4.02Å; L432-L635 HydrophobicContact CD1-CD2 3.96Å; L432-L635 HydrophobicContact CD1-CG 4.43Å
433R86.9Confident85.2Confident106 Ų10642.7 Ų42.740%0.420%0.197SC..Hα-helixtrans-64.4-38.9171.8-69.2175.4-174.6108.99.3112.2E429 L430 N436 H437E429-R433 WeakPolarHBondContact O-CG 3.5Å; E429-R433 PolarHBondContact O-N 3.16Å; E429-R433 IonicContact OE2-CZ 3.32Å; E429-R433 VanDerWaalsContact OE2-CZ 3.28Å; E429-R433 IonicContact OE2-NH1 2.61Å; E429-R433 PolarHBondContact OE2-NH1 3.04Å; E429-R433 IonicContact OE2-NH2 3.28Å; E429-R433 PolarHBondContact OE2-NH2 2.81Å; L430-R433 PolarHBondContact O-N 3.16Å; R433-N436 WeakPolarHBondContact O-CB 3.44Å; R433-N436 PolarHBondContact O-N 2.63Å; R433-H437 WeakPolarHBondContact O-CB 3.26Å; R433-H437 PolarHBondContact O-N 2.82Å
434Q91Very high85.8Confident19 Ų1942.7 Ų42.79%0.08920%0.2CC..Hα-helixtrans-65.3-40.4174.7-72.8179.4-58.800112Y48 L51 L412 L430 R431 H437 I438Y48-Q434 HydrophobicContact CD1-CG 3.64Å; Y48-Q434 HydrophobicContact CE1-CG 3.48Å; Y48-Q434 VanDerWaalsContact CE1-CG 3.48Å; L51-Q434 HydrophobicContact CD1-CB 3.81Å; L51-Q434 HydrophobicContact CD1-CG 3.85Å; L412-Q434 HydrophobicContact CD1-CB 3.83Å; L412-Q434 HydrophobicContact CD2-CB 3.99Å; L412-Q434 VanDerWaalsContact CD2-OE1 3.29Å; L430-Q434 WeakPolarHBondContact O-CB 3.29Å; L430-Q434 VanDerWaalsContact O-CG 3.27Å; L430-Q434 WeakPolarHBondContact O-CG 3.24Å; L430-Q434 PolarHBondContact O-N 3.36Å; R431-Q434 VanDerWaalsContact CD-OE1 3.25Å; R431-Q434 PolarHBondContact O-N 2.81Å; Q434-H437 PolarHBondContact O-N 3.25Å; Q434-I438 WeakPolarHBondContact O-CG1 3.43Å; Q434-I438 PolarHBondContact O-N 3.09Å; Q434-I438 VanDerWaalsContact O-N 3.09Å
435L91.6Very high86.2Confident0 Ų038 Ų380%018%0.183CC..Hα-helixtrans-65.5-39.3173.8-70.3165.1000112.2Q409 L412 N413 R431 L432 I556 F590 I605Q409-L435 HydrophobicContact CB-CD2 4.06Å; Q409-L435 HydrophobicContact CG-CD2 3.95Å; L412-L435 HydrophobicContact CB-CD2 3.91Å; L412-L435 HydrophobicContact CB-CG 4.11Å; L412-L435 HydrophobicContact CD1-CD2 4.14Å; L412-L435 HydrophobicContact CD1-CG 4.35Å; N413-L435 VanDerWaalsContact OD1-CD1 3.23Å; N413-L435 WeakPolarHBondContact OD1-CD1 3.19Å; R431-L435 WeakPolarHBondContact O-CG 3.46Å; R431-L435 PolarHBondContact O-N 3.24Å; L432-L435 HydrophobicContact CD2-CD1 4.39Å; L432-L435 PolarHBondContact O-N 3.41Å; L435-I556 HydrophobicContact CB-CG1 4.29Å; L435-I556 HydrophobicContact CB-CG2 3.85Å; L435-I556 HydrophobicContact CD1-CD1 3.96Å; L435-I556 HydrophobicContact CD1-CG1 4.26Å; L435-F590 WeakPolarHBondContact O-CZ 3.22Å; L435-I605 HydrophobicContact CD1-CD1 3.95Å
436N89.2Confident86.7Confident33 Ų3338 Ų3818%0.17618%0.183CC..Hα-helixtrans-60.1-53.3171.4-174.8-53.9000110.7L432 R433 I438 A439 T440 I556 G558L432-N436 PolarHBondContact O-N 3.21Å; R433-N436 WeakPolarHBondContact O-CB 3.44Å; R433-N436 PolarHBondContact O-N 2.63Å; N436-I438 VanDerWaalsContact C-N 3.25Å; N436-I438 PolarHBondContact O-N 2.92Å; N436-A439 WeakPolarHBondContact O-CA 3.49Å; N436-A439 WeakPolarHBondContact O-CB 3.41Å; N436-A439 PolarHBondContact O-N 3.04Å; N436-T440 PolarHBondContact O-N 3Å; N436-T440 PolarHBondContact O-OG1 3.11Å; N436-T440 VanDerWaalsContact OD1-CG2 3.26Å; N436-T440 WeakPolarHBondContact OD1-CG2 3.48Å; N436-T440 PolarHBondContact OD1-OG1 3.44Å; N436-I556 WeakPolarHBondContact CA-O 3.27Å; N436-I556 WeakPolarHBondContact CB-O 3.25Å; N436-I556 VanDerWaalsContact CG-O 3.26Å; N436-I556 PolarHBondContact ND2-O 2.83Å; N436-G558 WeakPolarHBondContact ND2-CA 3.29Å; N436-G558 PolarHBondContact ND2-N 2.69Å
437H89.3Confident87.1Confident28 Ų2836 Ų3613%0.1318%0.179CC..Hα-helixtrans-56.8-36.3-177.9-176.589.5000112.8Y48 R433 Q434 A439 T440 C441Y48-H437 WeakPolarHBondContact CB-NE2 3.32Å; Y48-H437 HydrophobicContact CD2-CB 4.19Å; Y48-H437 AromaticContact CD2-CE1 3.97Å; Y48-H437 AromaticContact CD2-CG 3.76Å; Y48-H437 AromaticContact CD2-ND1 3.56Å; Y48-H437 HydrophobicContact CG-CB 4.44Å; R433-H437 WeakPolarHBondContact O-CB 3.26Å; R433-H437 PolarHBondContact O-N 2.82Å; Q434-H437 PolarHBondContact O-N 3.25Å; H437-A439 VanDerWaalsContact C-N 3.3Å; H437-A439 PolarHBondContact O-N 3.47Å; H437-T440 PolarHBondContact O-N 2.95Å; H437-C441 PolarHBondContact CE1-SG 2.94Å; H437-C441 WeakPolarHBondContact O-CB 3.17Å; H437-C441 PolarHBondContact O-N 2.98Å
438I91.7Very high87Confident0 Ų036 Ų360%018%0.177CC..Hα-helixtrans-59.2-40.5173.1-70.3165.6000111.4L51 V54 C405 T408 L412 Q434 N436 F590L51-I438 HydrophobicContact CB-CG1 4.36Å; L51-I438 HydrophobicContact CD1-CG1 4.47Å; V54-I438 HydrophobicContact CG2-CG2 4.48Å; V54-I438 WeakPolarHBondContact CG2-O 3.16Å; V54-I438 PolarHBondContact N-O 2.8Å; C405-I438 HydrophobicContact CB-CG2 4.47Å; T408-I438 HydrophobicContact CG2-CD1 3.65Å; L412-I438 HydrophobicContact CD1-CD1 3.56Å; Q434-I438 WeakPolarHBondContact O-CG1 3.43Å; Q434-I438 PolarHBondContact O-N 3.09Å; Q434-I438 VanDerWaalsContact O-N 3.09Å; N436-I438 VanDerWaalsContact C-N 3.25Å; N436-I438 PolarHBondContact O-N 2.92Å; I438-F590 HydrophobicContact CB-CE1 4.32Å; I438-F590 HydrophobicContact CG2-CD1 4.3Å; I438-F590 HydrophobicContact CG2-CE1 3.93Å
439A88.3Confident86.8Confident15 Ų1537.7 Ų37.712%0.12419%0.187CC..Hα-helixtrans-77.9-34.5179.400000114.5N436 H437 V586 S589 F590N436-A439 WeakPolarHBondContact O-CA 3.49Å; N436-A439 WeakPolarHBondContact O-CB 3.41Å; N436-A439 PolarHBondContact O-N 3.04Å; H437-A439 VanDerWaalsContact C-N 3.3Å; H437-A439 PolarHBondContact O-N 3.47Å; A439-V586 HydrophobicContact CB-CG1 4.06Å; A439-S589 PolarHBondContact O-OG 3.29Å; A439-F590 HydrophobicContact CB-CD1 4.14Å; A439-F590 HydrophobicContact CB-CE1 3.54Å; A439-F590 HydrophobicContact CB-CZ 3.77Å
440T86.3Confident86.8Confident69 Ų6938.8 Ų38.842%0.42320%0.197SC..Hα-helixtrans-108.2-20-16457.40000114.8N436 H437 Q442N436-T440 PolarHBondContact O-N 3Å; N436-T440 PolarHBondContact O-OG1 3.11Å; N436-T440 VanDerWaalsContact OD1-CG2 3.26Å; N436-T440 WeakPolarHBondContact OD1-CG2 3.48Å; N436-T440 PolarHBondContact OD1-OG1 3.44Å; H437-T440 PolarHBondContact O-N 2.95Å; T440-Q442 PolarHBondContact O-N 2.64Å
441C87.1Confident86.4Confident15 Ų1540 Ų4010%0.10120%0.201CC..  trans-69.1118.5-178.3-178.20000111.9T53 F55 H437T53-C441 HydrophobicContact CG2-CB 3.69Å; F55-C441 VanDerWaalsContact CB-O 3.27Å; F55-C441 WeakPolarHBondContact CB-O 3.43Å; H437-C441 PolarHBondContact CE1-SG 2.94Å; H437-C441 WeakPolarHBondContact O-CB 3.17Å; H437-C441 PolarHBondContact O-N 2.98Å
442Q86.4Confident85.4Confident146 Ų14640.3 Ų40.368%0.68220%0.202SC*.  trans-99.4-2.2177.6-58.5-178.19.900112.8F55 T440F55-Q442 WeakPolarHBondContact CE1-O 3.31Å; T440-Q442 PolarHBondContact O-N 2.64Å
443V84.9Confident84.5Confident19 Ų1943.1 Ų43.112%0.11522%0.222CC..  trans-72.7133-177.5-171.40000109.9E45 N56 E447 L448E45-V443 WeakPolarHBondContact OE1-CG2 3.47Å; N56-V443 PolarHBondContact ND2-O 3.5Å; V443-E447 HydrophobicContact CG1-CB 4.2Å; V443-E447 HydrophobicContact CG1-CG 4.2Å; V443-L448 HydrophobicContact CG1-CD1 4.49Å; V443-L448 HydrophobicContact CG1-CD2 3.97Å; V443-L448 HydrophobicContact CG1-CG 3.84Å
444S87.2Confident83.6Confident26 Ų2643.9 Ų43.918%0.18223%0.228CC..  trans-80.3147.4-179.571.50000111.9N56 E446 E447 L448N56-S444 WeakPolarHBondContact OD1-CA 3.41Å; S444-E446 VanDerWaalsContact CB-OE2 3.27Å; S444-E446 WeakPolarHBondContact CB-OE2 3.22Å; S444-E446 PolarHBondContact O-N 3.12Å; S444-E447 PolarHBondContact O-N 3.48Å; S444-E447 VanDerWaalsContact O-N 3.16Å; S444-E447 WeakPolarHBondContact OG-CB 3.48Å; S444-E447 PolarHBondContact OG-N 3.01Å; S444-L448 PolarHBondContact O-N 3.17Å; S444-L448 VanDerWaalsContact O-N 3.1Å
445L85Confident82.1Confident5 Ų546.1 Ų46.13%0.02624%0.239CC..Hα-helixtrans-60.2-31.7174.5-70.6178.2000111.6C14 L17 L18 I21 N56 L448 V449C14-L445 HydrophobicContact CB-CD1 4.07Å; L17-L445 HydrophobicContact CB-CB 3.94Å; L17-L445 HydrophobicContact CB-CD1 4.26Å; L17-L445 HydrophobicContact CD1-CB 4.02Å; L18-L445 HydrophobicContact CD2-CD2 3.74Å; L18-L445 HydrophobicContact CG-CD1 4.34Å; L18-L445 HydrophobicContact CG-CD2 4.36Å; I21-L445 HydrophobicContact CD1-CB 4.41Å; I21-L445 HydrophobicContact CD1-CD2 3.79Å; N56-L445 HydrophobicContact CB-CD1 4.32Å; N56-L445 HydrophobicContact CB-CG 4.15Å; N56-L445 PolarHBondContact OD1-N 3.23Å; L445-L448 HydrophobicContact CD2-CD1 4.48Å; L445-V449 WeakPolarHBondContact O-CG2 3.38Å; L445-V449 PolarHBondContact O-N 2.74Å; L445-V449 VanDerWaalsContact O-N 3.1Å
446E85.6Confident80.4Confident67 Ų6750.2 Ų50.231%0.31326%0.261SS..Hα-helixtrans-66.6-44.3175.8-57.471.1-156.500110.8R13 L17 S444 V449 T450R13-E446 IonicContact CZ-OE1 3.25Å; R13-E446 IonicContact NH1-OE1 3.64Å; R13-E446 PolarHBondContact NH1-OE1 3.44Å; R13-E446 IonicContact NH2-OE1 2.91Å; L17-E446 HydrophobicContact CD1-CG 4.09Å; L17-E446 WeakPolarHBondContact CD1-OE1 3.27Å; S444-E446 VanDerWaalsContact CB-OE2 3.27Å; S444-E446 WeakPolarHBondContact CB-OE2 3.22Å; S444-E446 PolarHBondContact O-N 3.12Å; E446-V449 PolarHBondContact O-N 2.86Å; E446-T450 WeakPolarHBondContact O-CG2 3.4Å; E446-T450 PolarHBondContact O-N 3.33Å
447E84.5Confident78.7Confident84 Ų8451.9 Ų51.939%0.39328%0.275SS..Hα-helixtrans-60.6-46.4176.6-178179.3172.800111.4V443 S444 V449 T450 K451V443-E447 HydrophobicContact CG1-CB 4.2Å; V443-E447 HydrophobicContact CG1-CG 4.2Å; S444-E447 PolarHBondContact O-N 3.48Å; S444-E447 VanDerWaalsContact O-N 3.16Å; S444-E447 WeakPolarHBondContact OG-CB 3.48Å; S444-E447 PolarHBondContact OG-N 3.01Å; E447-V449 VanDerWaalsContact C-N 3.32Å; E447-V449 PolarHBondContact O-N 2.76Å; E447-T450 CarbonylContact O-C 3.58Å; E447-T450 WeakPolarHBondContact O-CA 3.4Å; E447-T450 PolarHBondContact O-N 3.44Å; E447-T450 PolarHBondContact O-OG1 3.49Å; E447-K451 PolarHBondContact O-N 2.71Å
448L80.9Confident76.6Confident13 Ų1355.9 Ų55.97%0.06829%0.294CS..Hα-helixtrans-58-42.6175.4-69.3170.1000112I21 E45 A49 V443 S444 L445 T450 K451 R452I21-L448 HydrophobicContact CD1-CB 3.77Å; I21-L448 HydrophobicContact CD1-CD1 4.24Å; I21-L448 HydrophobicContact CG1-CB 4.21Å; E45-L448 HydrophobicContact CB-CD2 4.38Å; A49-L448 HydrophobicContact CB-CD1 4.01Å; V443-L448 HydrophobicContact CG1-CD1 4.49Å; V443-L448 HydrophobicContact CG1-CD2 3.97Å; V443-L448 HydrophobicContact CG1-CG 3.84Å; S444-L448 PolarHBondContact O-N 3.17Å; S444-L448 VanDerWaalsContact O-N 3.1Å; L445-L448 HydrophobicContact CD2-CD1 4.48Å; L448-T450 VanDerWaalsContact C-N 3.34Å; L448-T450 PolarHBondContact O-N 3.34Å; L448-K451 PolarHBondContact O-N 2.85Å; L448-R452 WeakPolarHBondContact O-CB 3.28Å; L448-R452 PolarHBondContact O-N 3.45Å
449V81.5Confident74.5Confident36 Ų3660.1 Ų60.122%0.21832%0.319CS..Hα-helixtrans-62.2-40.6172.5172.50000111.1L17 S20 I21 L445 E446 E447 S453L17-V449 HydrophobicContact CD2-CG2 3.96Å; S20-V449 WeakPolarHBondContact OG-CG2 3.32Å; I21-V449 HydrophobicContact CD1-CG2 4.01Å; I21-V449 HydrophobicContact CG1-CG2 3.5Å; L445-V449 WeakPolarHBondContact O-CG2 3.38Å; L445-V449 PolarHBondContact O-N 2.74Å; L445-V449 VanDerWaalsContact O-N 3.1Å; E446-V449 PolarHBondContact O-N 2.86Å; E447-V449 VanDerWaalsContact C-N 3.32Å; E447-V449 PolarHBondContact O-N 2.76Å; V449-S453 VanDerWaalsContact O-CB 3.31Å; V449-S453 WeakPolarHBondContact O-CB 3.47Å; V449-S453 PolarHBondContact O-N 3.39Å; V449-S453 PolarHBondContact O-OG 3.44Å
450T81.3Confident72Confident63 Ų6365.4 Ų65.439%0.38735%0.346SS..Hα-helixtrans-68.1-42.6176.6680000113E446 E447 L448 S453 K454E446-T450 WeakPolarHBondContact O-CG2 3.4Å; E446-T450 PolarHBondContact O-N 3.33Å; E447-T450 CarbonylContact O-C 3.58Å; E447-T450 WeakPolarHBondContact O-CA 3.4Å; E447-T450 PolarHBondContact O-N 3.44Å; E447-T450 PolarHBondContact O-OG1 3.49Å; L448-T450 VanDerWaalsContact C-N 3.34Å; L448-T450 PolarHBondContact O-N 3.34Å; T450-S453 WeakPolarHBondContact CA-OG 3.42Å; T450-S453 PolarHBondContact O-N 2.83Å; T450-S453 PolarHBondContact O-OG 3.09Å; T450-K454 WeakPolarHBondContact O-CG 3.45Å; T450-K454 PolarHBondContact O-N 3.17Å
451K76.1Confident69.7Low50 Ų5065.6 Ų65.622%0.21735%0.349CS..Hα-helixtrans-54-53.6173-76.3-171.6174.3-167.70110.1E43 E45 E447 L448 S453 K454 Q455E43-K451 IonicContact OE2-NZ 3.3Å; E43-K451 PolarHBondContact OE2-NZ 3.39Å; E45-K451 IonicContact OE2-NZ 2.75Å; E45-K451 PolarHBondContact OE2-NZ 2.99Å; E447-K451 PolarHBondContact O-N 2.71Å; L448-K451 PolarHBondContact O-N 2.85Å; K451-S453 VanDerWaalsContact C-N 3.32Å; K451-S453 PolarHBondContact O-N 3.23Å; K451-K454 WeakPolarHBondContact O-CB 3.43Å; K451-K454 PolarHBondContact O-N 3.42Å; K451-K454 VanDerWaalsContact O-N 3.15Å; K451-Q455 PolarHBondContact O-N 2.91Å
452R69.8Low67Low49 Ų4971 Ų7119%0.18538%0.378CS..Hα-helixtrans-61.5-37.9178.5-161.5-179.6-165.4-143.63.6112.6S20 I21 L448 N456S20-R452 PolarHBondContact O-NH1 3.11Å; I21-R452 PolarHBondContact O-NE 3.46Å; I21-R452 PolarHBondContact O-NH1 3.15Å; I21-R452 PolarHBondContact O-NH2 3.12Å; L448-R452 WeakPolarHBondContact O-CB 3.28Å; L448-R452 PolarHBondContact O-N 3.45Å; R452-N456 WeakPolarHBondContact O-CB 3.49Å; R452-N456 VanDerWaalsContact O-CG 3.32Å; R452-N456 PolarHBondContact O-N 2.86Å; R452-N456 PolarHBondContact O-ND2 3.2Å; R452-N456 VanDerWaalsContact O-ND2 3.13Å
453S69.5Low64.2Low62 Ų6269 Ų6943%0.43438%0.379SS..Hα-helixtrans-67.5-37.3176.176.50000112.8V449 T450 K451 N456 S457V449-S453 VanDerWaalsContact O-CB 3.31Å; V449-S453 WeakPolarHBondContact O-CB 3.47Å; V449-S453 PolarHBondContact O-N 3.39Å; V449-S453 PolarHBondContact O-OG 3.44Å; T450-S453 WeakPolarHBondContact CA-OG 3.42Å; T450-S453 PolarHBondContact O-N 2.83Å; T450-S453 PolarHBondContact O-OG 3.09Å; K451-S453 VanDerWaalsContact C-N 3.32Å; K451-S453 PolarHBondContact O-N 3.23Å; S453-N456 PolarHBondContact O-N 3.26Å; S453-S457 PolarHBondContact O-N 3.11Å; S453-S457 PolarHBondContact O-OG 2.79Å
454K69.2Low61.3Low122 Ų12276.3 Ų76.353%0.5341%0.41SS..Hα-helixtrans-64.8-51.9175.3-73.5169.9178.4175.30111.1T450 K451 N456 S457 E458T450-K454 WeakPolarHBondContact O-CG 3.45Å; T450-K454 PolarHBondContact O-N 3.17Å; K451-K454 WeakPolarHBondContact O-CB 3.43Å; K451-K454 PolarHBondContact O-N 3.42Å; K451-K454 VanDerWaalsContact O-N 3.15Å; K454-N456 VanDerWaalsContact C-N 3.32Å; K454-N456 PolarHBondContact O-N 2.88Å; K454-S457 WeakPolarHBondContact CA-OG 3.49Å; K454-S457 CarbonylContact O-C 3.51Å; K454-S457 WeakPolarHBondContact O-CA 3.43Å; K454-S457 PolarHBondContact O-N 3.45Å; K454-S457 PolarHBondContact O-OG 3.09Å; K454-E458 PolarHBondContact O-N 3.34Å
455Q58.4Low58.3Low67 Ų6781.5 Ų81.531%0.31344%0.44SS..Hα-helixtrans-53-48.7174.1-70.5177.8-9.800111.8K451 S457 E458 V459K451-Q455 PolarHBondContact O-N 2.91Å; Q455-S457 PolarHBondContact O-N 2.98Å; Q455-E458 PolarHBondContact O-N 3.47Å; Q455-V459 WeakPolarHBondContact O-CG2 3.21Å; Q455-V459 PolarHBondContact O-N 3.43Å
456N56.7Low55.5Low86 Ų8687.8 Ų87.846%0.4648%0.479SS..Hα-helixtrans-60.7-29.6176.2-77.9-34.4000113.1R452 S453 K454 N460R452-N456 WeakPolarHBondContact O-CB 3.49Å; R452-N456 VanDerWaalsContact O-CG 3.32Å; R452-N456 PolarHBondContact O-N 2.86Å; R452-N456 PolarHBondContact O-ND2 3.2Å; R452-N456 VanDerWaalsContact O-ND2 3.13Å; S453-N456 PolarHBondContact O-N 3.26Å; K454-N456 VanDerWaalsContact C-N 3.32Å; K454-N456 PolarHBondContact O-N 2.88Å; N456-N460 PolarHBondContact O-ND2 3.38Å
457S52.2Low52.5Low68 Ų6890.9 Ų90.948%0.47650%0.503SS..Hα-helixtrans-79-36.7173.769.10000113.4S453 K454 Q455 N460 S461S453-S457 PolarHBondContact O-N 3.11Å; S453-S457 PolarHBondContact O-OG 2.79Å; K454-S457 WeakPolarHBondContact CA-OG 3.49Å; K454-S457 CarbonylContact O-C 3.51Å; K454-S457 WeakPolarHBondContact O-CA 3.43Å; K454-S457 PolarHBondContact O-N 3.45Å; K454-S457 PolarHBondContact O-OG 3.09Å; Q455-S457 PolarHBondContact O-N 2.98Å; S457-N460 CarbonylContact O-C 3.57Å; S457-N460 WeakPolarHBondContact O-CB 3.38Å; S457-N460 PolarHBondContact O-N 3.31Å; S457-N460 VanDerWaalsContact O-N 3.14Å; S457-S461 PolarHBondContact O-N 2.99Å
458E46Very low49.7Very low112 Ų11295.5 Ų95.552%0.52353%0.525SS..Hα-helixtrans-70.1-38.1179-72.2176173.600112.3K454 Q455 N460 S461 N462K454-E458 PolarHBondContact O-N 3.34Å; Q455-E458 PolarHBondContact O-N 3.47Å; E458-N460 PolarHBondContact O-N 3.43Å; E458-S461 WeakPolarHBondContact CA-OG 3.24Å; E458-S461 PolarHBondContact O-N 3.27Å; E458-S461 PolarHBondContact O-OG 3.19Å; E458-S461 VanDerWaalsContact O-OG 3.13Å; E458-N462 WeakPolarHBondContact O-CB 3.13Å; E458-N462 PolarHBondContact O-N 3.33Å
459V46.9Very low47.2Very low88 Ų88100.9 Ų100.953%0.53356%0.557SS.*Hα-helixtrans-60.1-30170.3171.70000111.6Q455Q455-V459 WeakPolarHBondContact O-CG2 3.21Å; Q455-V459 PolarHBondContact O-N 3.43Å
460N37.3Very low44.6Very low127 Ų127106.2 Ų106.268%0.67959%0.585SS**Hα-helixtrans-85.3-27.6175.3-80.7-67.4000113.5N456 S457 E458N456-N460 PolarHBondContact O-ND2 3.38Å; S457-N460 CarbonylContact O-C 3.57Å; S457-N460 WeakPolarHBondContact O-CB 3.38Å; S457-N460 PolarHBondContact O-N 3.31Å; S457-N460 VanDerWaalsContact O-N 3.14Å; E458-N460 PolarHBondContact O-N 3.43Å
461S36.3Very low42Very low72 Ų72112.6 Ų112.650%0.50361%0.61SS.*Hα-helixtrans-81.3-35.3179.364.80000113.7S457 E458 S463S457-S461 PolarHBondContact O-N 2.99Å; E458-S461 WeakPolarHBondContact CA-OG 3.24Å; E458-S461 PolarHBondContact O-N 3.27Å; E458-S461 PolarHBondContact O-OG 3.19Å; E458-S461 VanDerWaalsContact O-OG 3.13Å; S461-S463 PolarHBondContact O-N 2.89Å
462N30.4Very low39.7Very low129 Ų129114.3 Ų114.369%0.6963%0.629SS**  trans-82.128.5-169.7-67.7-3.8000114.1E458 K464E458-N462 WeakPolarHBondContact O-CB 3.13Å; E458-N462 PolarHBondContact O-N 3.33Å; N462-K464 PolarHBondContact O-N 3.23Å
463S28.3Very low37.7Very low103 Ų103116.9 Ų116.972%0.7266%0.66SS**  trans-81.427.7172.361.20000113.6S461S461-S463 PolarHBondContact O-N 2.89Å
464K24.6Very low35.8Very low174 Ų174122 Ų12276%0.75768%0.675SS**SBendtrans-141.9108.5179.5-73.9-175.5179.5172.60113.8N462N462-K464 PolarHBondContact O-N 3.23Å
465T24.5Very low33.7Very low134 Ų134122.1 Ų122.182%0.82268%0.68SS**  trans50.897.9145.956.60000120
466T25.1Very low32.1Very low137 Ų137126.1 Ų126.184%0.8470%0.699SS**  -143.6161.3129.429.90000109.2
467T23.7Very low30.6Very low133 Ų133127.4 Ų127.482%0.81672%0.715SS**  trans-138.879.7-173.952.60000111.8
468E26.1Very low29.2Very low181 Ų181132 Ų13285%0.84673%0.726SS**  trans-134.3111.5172.5-62.8179.2152.900105
469V27.2Very low28Very low125 Ų125132.7 Ų132.776%0.75874%0.738SS**  83.496.159.8178.30000111.9
470D27.3Very low27Very low149 Ų149138.5 Ų138.580%0.79776%0.757SS**  trans69168.5159.2-65.8-41.7000121.7
471E27.5Very low26.3Very low196 Ų196137.9 Ų137.992%0.91676%0.759SS**SBendtrans6934.6171.6-51.3-142.9139.200120.7
472S26.4Very low25.6Very low86 Ų86142.5 Ų142.560%0.60178%0.779SS**  trans-128.621.9160.3580000114.7F474S472-F474 PolarHBondContact O-N 2.94Å
473A29.1Very low25.3Very low103 Ų103143.4 Ų143.485%0.85178%0.779SS**THydrogen-bonded Turntrans-70.712.1-167.100000117.3
474F28.9Very low25Very low170 Ų170148.1 Ų148.175%0.74679%0.787SS**THydrogen-bonded Turntrans-93.6-27.8-177.6-170.5-109.9000114.6S472S472-F474 PolarHBondContact O-N 2.94Å
475I25.1Very low24.9Very low125 Ų125147.9 Ų147.964%0.64179%0.792SS**THydrogen-bonded Turntrans-103-24.3-173.3-62.6-178.5000112.5S477I475-S477 PolarHBondContact O-N 2.84Å
476H24.9Very low24.8Very low150 Ų150152 Ų15269%0.69480%0.795SS**  trans-94.873.2-175.6-65-57.9000114.6
477S25.5Very low24.7Very low114 Ų114153.7 Ų153.780%0.79780%0.798SS**  trans-119.697.3164.264.20000112.9I475I475-S477 PolarHBondContact O-N 2.84Å
478K23.3Very low24.7Very low163 Ų163150.8 Ų150.871%0.70980%0.795SS**  trans-45.9132.9-177.6-52.1158-173.3174.10113.8N821K478-N821 VanDerWaalsContact CD-O 3.23Å; K478-N821 WeakPolarHBondContact CD-O 3.48Å; K478-N821 PolarHBondContact NZ-O 3.31Å
479T20.5Very low24.5Very low127 Ų127149.8 Ų149.878%0.77980%0.796SS**  -174.497105.320.50000114.1
480F25.1Very low24.3Very low211 Ų211151.5 Ų151.593%0.92580%0.8SS**  trans-131.2129.8146-87.1-81.7000108.3
481P23.5Very low24.2Very low114 Ų114153.1 Ų153.174%0.7480%0.803SS**  trans-97.5116.2-173.234-30.3000112.5
482N21.8Very low24Very low169 Ų169151.4 Ų151.490%0.90480%0.799SS**  trans-169.976.1154.3-98.5-16.6000112.2
483Q22.6Very low24Very low148 Ų148154.6 Ų154.669%0.69282%0.815SS**  trans-140.759.5168.7-79.5-169.2-17.400111.4
484F23.2Very low23.7Very low202 Ų202159.9 Ų159.989%0.88681%0.813SS**  trans-149.445.8172.9-89.8-62.7000113.7
485L21.1Very low23.4Very low168 Ų168159.3 Ų159.388%0.8882%0.818SS**SBendtrans-136.832.4166.7-86.2-177.9000113.8
486Y22.8Very low23.4Very low222 Ų222162.1 Ų162.187%0.87183%0.83SS**  trans-12975.8166.6-83.7-74.4000110.7
487N22.5Very low23.4Very low171 Ų171160.8 Ų160.891%0.91483%0.833SS**  trans-166.199.1164.6-104.7-34.9000109.1
488G23.9Very low23.3Very low73 Ų73160.4 Ų160.475%0.75383%0.825SS**SBendtrans14887.5178.800000114.9
489N22.6Very low23.3Very low160 Ų160157.9 Ų157.986%0.85682%0.823SS**  trans25.2121.5153.9-60.4-11.5000121Q491N489-Q491 PolarHBondContact O-N 3.05Å
490N22.7Very low23.4Very low160 Ų160159.6 Ų159.686%0.85683%0.828SS**  trans-1.4101.4143.1-62.8-9.2000117.6
491Q24.9Very low23.3Very low184 Ų184154.5 Ų154.586%0.8682%0.818SS**  -179.7171127-98.3167.718.700109.5N489N489-Q491 PolarHBondContact O-N 3.05Å
492L23.5Very low23.2Very low159 Ų159155.9 Ų155.983%0.83282%0.819SS**  trans65.156-179.3-53.3178.5000115.9R494L492-R494 PolarHBondContact O-N 2.93Å
493V25.7Very low23.3Very low154 Ų154152.2 Ų152.293%0.93381%0.806SS**  trans-7967.5151.4-174.10000108.8
494R23.1Very low23.3Very low213 Ų213152.4 Ų152.480%0.80481%0.812SS**  trans-145153165.7-68.7-167173.2134.63.9107.3L492L492-R494 PolarHBondContact O-N 2.93Å
495D23.1Very low23.3Very low158 Ų158148.5 Ų148.585%0.84580%0.801SS**  trans64.452.6178.8-49-16.5000115.2
496M24.7Very low23.4Very low184 Ų184143.6 Ų143.691%0.90678%0.781SS**  trans-118.942.7161.7-161.5167.6174.900111.7
497T25.4Very low23.4Very low122 Ų122142.7 Ų142.775%0.74878%0.782SS**  trans-110.6154158.251.40000107.8
498V23.9Very low23.5Very low106 Ų106138.1 Ų138.164%0.64276%0.763SS**SBendtrans74.3144.9-163-166.40000112.9
499V22.2Very low23.5Very low110 Ų110139 Ų13967%0.66775%0.75SS**SBendtrans64.345.8-175.1-151.10000115.5
500N22.8Very low23.6Very low164 Ų164134.3 Ų134.388%0.87774%0.74SS**  trans-128.730.9150.8-125.25.7000111.7
501S22.9Very low23.7Very low103 Ų103130.2 Ų130.272%0.7272%0.724SS**  trans-10765.918060.90000110.5
502L22Very low23.7Very low143 Ų143124.9 Ų124.975%0.74970%0.701SS**  trans-127.1131.9173.6-80.3165.1000108.4
503S23.6Very low23.9Very low92 Ų92122.1 Ų122.164%0.64369%0.693SS**  trans49.590.1179.145.50000116.2D505 S506S503-D505 PolarHBondContact O-N 2.92Å; S503-S506 PolarHBondContact O-OG 2.96Å
504N21.9Very low23.9Very low153 Ų153119.1 Ų119.182%0.81867%0.671SS**THydrogen-bonded Turntrans-72.522.3166.6-85.8-2.4000113.9S506N504-S506 PolarHBondContact O-N 3.16Å
505D23.3Very low24Very low119 Ų119112.1 Ų112.164%0.63665%0.65SS**THydrogen-bonded Turntrans-78.2-0.9168-83.6-47.9000112.5S503 F507 S508S503-D505 PolarHBondContact O-N 2.92Å; D505-F507 PolarHBondContact O-N 3.48Å; D505-S508 WeakPolarHBondContact O-CA 3.31Å; D505-S508 WeakPolarHBondContact O-CB 3.49Å; D505-S508 PolarHBondContact O-N 3.09Å
506S23.8Very low24.1Very low66 Ų66109.5 Ų109.546%0.46264%0.644SS.*Hα-helixtrans-61.7-11.4179.825.90000115.2S503 N504 S508S503-S506 PolarHBondContact O-OG 2.96Å; N504-S506 PolarHBondContact O-N 3.16Å; S506-S508 VanDerWaalsContact C-N 3.29Å
507F22.5Very low24Very low203 Ų203103.1 Ų103.189%0.8963%0.625SS**Hα-helixtrans-77.3-9.4165.2-85.2-75.7000114.1D505D505-F507 PolarHBondContact O-N 3.48Å
508S25.1Very low24Very low74 Ų74105.6 Ų105.652%0.51762%0.622SS.*Hα-helixtrans-85.8-37.1168.6-172.30000111.8D505 S506D505-S508 WeakPolarHBondContact O-CA 3.31Å; D505-S508 WeakPolarHBondContact O-CB 3.49Å; D505-S508 PolarHBondContact O-N 3.09Å; S506-S508 VanDerWaalsContact C-N 3.29Å
509D23.7Very low23.9Very low91 Ų91108.1 Ų108.149%0.48763%0.632SS.*Hα-helixtrans-76.3-33.4-170.4-58.2-40.3000113.2S511 L515D509-S511 PolarHBondContact O-N 2.84Å; D509-L515 WeakPolarHBondContact OD1-CD1 3.47Å
510G25.2Very low24Very low63 Ų63111.6 Ų111.665%0.64963%0.633SS**THydrogen-bonded Turntrans-67.115.2-17500000117.3
511S24.2Very low24.4Very low74 Ų74106.9 Ų106.952%0.51761%0.611SS.*THydrogen-bonded Turntrans-150.313.5-178.465.30000117D509D509-S511 PolarHBondContact O-N 2.84Å
512N24.8Very low24.5Very low71 Ų71109.9 Ų109.938%0.3861%0.611SS.*  trans-145.8100.3-177.7-165.55.9000115.4L514 L515N512-L514 PolarHBondContact O-N 3.27Å; N512-L514 WeakPolarHBondContact OD1-CB 3.36Å; N512-L514 VanDerWaalsContact OD1-CG 3.32Å; N512-L514 WeakPolarHBondContact OD1-CG 3.34Å; N512-L514 PolarHBondContact OD1-N 3.44Å; N512-L515 PolarHBondContact O-N 2.83Å
513P27.5Very low24.6Very low102 Ų102108.2 Ų108.266%0.66261%0.612SS**G310 helixtrans-68.93.4177.129.7-35.5000114.5L515 S516P513-L515 PolarHBondContact O-N 2.75Å; P513-S516 PolarHBondContact O-OG 3.02Å; P513-S516 VanDerWaalsContact O-OG 3.06Å
514L26.5Very low24.7Very low91 Ų91108.5 Ų108.548%0.47661%0.614SS.*G310 helixtrans-71.3-13.6169.9-66.2173.4000113.6W426 N512 G517W426-L514 HydrophobicContact CE3-CD1 4.48Å; W426-L514 HydrophobicContact CE3-CD2 4.24Å; W426-L514 HydrophobicContact CH2-CD2 3.91Å; W426-L514 HydrophobicContact CH2-CG 4.31Å; W426-L514 HydrophobicContact CZ3-CD1 3.96Å; W426-L514 HydrophobicContact CZ3-CD2 3.72Å; W426-L514 HydrophobicContact CZ3-CG 3.96Å; N512-L514 PolarHBondContact O-N 3.27Å; N512-L514 WeakPolarHBondContact OD1-CB 3.36Å; N512-L514 VanDerWaalsContact OD1-CG 3.32Å; N512-L514 WeakPolarHBondContact OD1-CG 3.34Å; N512-L514 PolarHBondContact OD1-N 3.44Å; L514-G517 PolarHBondContact O-N 2.83Å; L514-G517 VanDerWaalsContact O-N 3.13Å
515L25.3Very low25.2Very low66 Ų66106.9 Ų106.935%0.34660%0.604SS.*G310 helixtrans-71-26.6179.2-94.9150.4000113.8D509 N512 P513 G517 Y518D509-L515 WeakPolarHBondContact OD1-CD1 3.47Å; N512-L515 PolarHBondContact O-N 2.83Å; P513-L515 PolarHBondContact O-N 2.75Å; L515-G517 PolarHBondContact O-N 2.89Å; L515-Y518 HydrophobicContact CD2-CD2 3.9Å; L515-Y518 HydrophobicContact CD2-CE2 3.41Å; L515-Y518 VanDerWaalsContact CD2-CE2 3.41Å; L515-Y518 HydrophobicContact CG-CD2 4.46Å; L515-Y518 HydrophobicContact CG-CE2 4Å; L515-Y518 VanDerWaalsContact O-CD2 3.32Å; L515-Y518 WeakPolarHBondContact O-CD2 3.25Å; L515-Y518 PolarHBondContact O-N 3.02Å
516S24Very low25.3Very low103 Ų103106.1 Ų106.172%0.7260%0.595SS**G310 helixtrans-69.3-18.2169.160.80000112.9P513 Y518P513-S516 PolarHBondContact O-OG 3.02Å; P513-S516 VanDerWaalsContact O-OG 3.06Å; S516-Y518 PolarHBondContact O-N 3.06Å
517G22.7Very low25.4Very low50 Ų50105.8 Ų105.852%0.51559%0.592SS.*G310 helixtrans-76.73.2177.600000115.5L514 L515 N519 R520L514-G517 PolarHBondContact O-N 2.83Å; L514-G517 VanDerWaalsContact O-N 3.13Å; L515-G517 PolarHBondContact O-N 2.89Å; G517-N519 PolarHBondContact O-N 3.02Å; G517-R520 PolarHBondContact O-N 3.28Å
518Y25.1Very low25.4Very low173 Ų173100.1 Ų100.168%0.67858%0.578SS**THydrogen-bonded Turntrans-62.2-11.4-168.1-104-118.1000116.5L515 S516 R520L515-Y518 HydrophobicContact CD2-CD2 3.9Å; L515-Y518 HydrophobicContact CD2-CE2 3.41Å; L515-Y518 VanDerWaalsContact CD2-CE2 3.41Å; L515-Y518 HydrophobicContact CG-CD2 4.46Å; L515-Y518 HydrophobicContact CG-CE2 4Å; L515-Y518 VanDerWaalsContact O-CD2 3.32Å; L515-Y518 WeakPolarHBondContact O-CD2 3.25Å; L515-Y518 PolarHBondContact O-N 3.02Å; S516-Y518 PolarHBondContact O-N 3.06Å; Y518-R520 VanDerWaalsContact C-N 3.32Å; Y518-R520 PolarHBondContact O-N 3.33Å
519N23.7Very low25.3Very low159 Ų15999.5 Ų99.585%0.8557%0.574SS**THydrogen-bonded Turntrans-83.810.1179.7-76.8-36.4000115.4G517G517-N519 PolarHBondContact O-N 3.02Å
520R23.4Very low25.3Very low184 Ų184100 Ų10069%0.69458%0.582SS**  trans-140.283.9165.7-68-166.1-176.1-158.53.9112.3G517 Y518 F522G517-R520 PolarHBondContact O-N 3.28Å; Y518-R520 VanDerWaalsContact C-N 3.32Å; Y518-R520 PolarHBondContact O-N 3.33Å; R520-F522 VanDerWaalsContact C-N 3.29Å; R520-F522 PolarHBondContact O-N 3.44Å; R520-F522 VanDerWaalsContact O-N 3.17Å
521P30.3Very low25.3Very low64 Ų64102.1 Ų102.142%0.41658%0.583SS.*THydrogen-bonded Turntrans-75.7-0.9-168.628.9-35.8000116.6I525P521-I525 WeakPolarHBondContact O-CD1 3.1Å
522F26.8Very low25.2Very low166 Ų166108.2 Ų108.273%0.72859%0.594SS**THydrogen-bonded Turntrans-95.85.1-163.4-80.2-73.5000117.3R520 D1098R520-F522 VanDerWaalsContact C-N 3.29Å; R520-F522 PolarHBondContact O-N 3.44Å; R520-F522 VanDerWaalsContact O-N 3.17Å; F522-D1098 VanDerWaalsContact CE1-OD1 3.28Å; F522-D1098 WeakPolarHBondContact CE1-OD1 3.37Å
523S23.8Very low25.1Very low109 Ų109113.2 Ų113.276%0.76261%0.608SS**THydrogen-bonded Turntrans-126-6.5176.858.80000115.3
524S26.1Very low24.9Very low97 Ų97112.8 Ų112.868%0.67860%0.604SS**THydrogen-bonded Turntrans-104-17.9-17654.90000114.5
525I30.9Very low24.7Very low120 Ų120115.9 Ų115.962%0.61562%0.615SS**SBendtrans-80-27.8-174.9-66.5177.5000112.4P521P521-I525 WeakPolarHBondContact O-CD1 3.1Å
526F26.1Very low24.6Very low103 Ų103120.8 Ų120.845%0.45263%0.634SS.*  trans-113111.8179.2-64.1-80.8000111.6S528 T1094F526-S528 WeakPolarHBondContact CB-OG 3.46Å; F526-S528 PolarHBondContact O-N 3.08Å; F526-T1094 HydrophobicContact CE2-CG2 4.37Å; F526-T1094 HydrophobicContact CZ-CG2 4.43Å
527S25.4Very low24.6Very low58 Ų58121.6 Ų121.641%0.40664%0.64SS.*  trans-76.654.2150.167.10000109.3S529S527-S529 PolarHBondContact O-N 3.1Å; S527-S529 VanDerWaalsContact O-N 3.13Å
528S23.1Very low24.7Very low85 Ų85124 Ų12459%0.59464%0.641SS**  trans-74.199.4170.344.10000107.4F526 P530F526-S528 WeakPolarHBondContact CB-OG 3.46Å; F526-S528 PolarHBondContact O-N 3.08Å; S528-P530 WeakPolarHBondContact O-CD 3.43Å
529S23.3Very low24.8Very low60 Ų60125.7 Ų125.742%0.4265%0.652SS.*  trans-49.5124.4171.855.90000109.1S527 T531S527-S529 PolarHBondContact O-N 3.1Å; S527-S529 VanDerWaalsContact O-N 3.13Å; S529-T531 PolarHBondContact O-N 2.75Å; S529-T531 PolarHBondContact O-OG1 2.68Å
530P23.3Very low25.3Very low102 Ų102123.7 Ų123.766%0.66265%0.65SS**  trans-64.799.5179.9-24.335000111S528 R532S528-P530 WeakPolarHBondContact O-CD 3.43Å; P530-R532 PolarHBondContact O-N 2.68Å
531T23.9Very low25.5Very low108 Ų108123.1 Ų123.166%0.66366%0.655SS**  trans-66.210.7171.8-230000112.6S529 R533S529-T531 PolarHBondContact O-N 2.75Å; S529-T531 PolarHBondContact O-OG1 2.68Å; T531-R533 PolarHBondContact O-N 3.21Å
532R24.1Very low25.6Very low201 Ų201124.5 Ų124.576%0.75867%0.672SS**  trans-77.188.6178.4-172.1-176.6-74.9-143.6-2.2109.6P530 T534P530-R532 PolarHBondContact O-N 2.68Å; R532-T534 HydrophobicContact CG-CG2 3.95Å; R532-T534 PolarHBondContact O-N 3.46Å
533R22.6Very low26Very low176 Ų176121.2 Ų121.266%0.66467%0.666SS**  trans-60.183.6158.4-70.1-173.6-177.3178.82.6109.7T531 H535 S1048T531-R533 PolarHBondContact O-N 3.21Å; R533-H535 VanDerWaalsContact C-N 3.31Å; R533-H535 PolarHBondContact O-N 3.15Å; R533-S1048 PolarHBondContact NH2-OG 2.83Å
534T21.7Very low26.6Very low94 Ų94120.9 Ų120.958%0.57766%0.655SS**  trans-69.694.2159.348.10000107.4R532 F536R532-T534 HydrophobicContact CG-CG2 3.95Å; R532-T534 PolarHBondContact O-N 3.46Å; T534-F536 PolarHBondContact O-N 2.99Å
535H22.3Very low28Very low156 Ų156117 Ų11772%0.72263%0.629SS**  trans-60.1104.9171.2-82.7-94.9000109.1R533 S537R533-H535 VanDerWaalsContact C-N 3.31Å; R533-H535 PolarHBondContact O-N 3.15Å; H535-S537 PolarHBondContact O-N 2.96Å
536F23.4Very low29.3Very low168 Ų168112.3 Ų112.374%0.73760%0.604SS**  trans-66.4118.7160.1-90.4-88.2000107.7T534 N538T534-F536 PolarHBondContact O-N 2.99Å; F536-N538 PolarHBondContact O-N 3.01Å
537S25Very low31.4Very low120 Ų120107.6 Ų107.684%0.83958%0.583SS**  trans-81.646.3-179.259.40000112.3H535H535-S537 PolarHBondContact O-N 2.96Å
538N25Very low33.7Very low100 Ų100105.3 Ų105.354%0.53557%0.567SS.*  trans-116.5124168.8-85.74.2000108.5F536 H642F536-N538 PolarHBondContact O-N 3.01Å; N538-H642 PolarHBondContact ND2-NE2 2.96Å
539K27Very low36.4Very low210 Ų210101.4 Ų101.491%0.91354%0.54SS*.SBendtrans-68.8146.2162.3-65.7-176.9176.9-174.80108.1
540S33.3Very low39.1Very low117 Ų11799.6 Ų99.682%0.81853%0.525SS*.SBendtrans65.367.1178.8-171.90000116.5
541E29Very low41.9Very low171 Ų17196.8 Ų96.880%0.79950%0.503SS*.  -166.1125.8124-108.4171-156.700108.9
542A32.1Very low44.8Very low93 Ų9391.6 Ų91.677%0.76947%0.472SS*.  trans-74.7126.9173.900000108.8D544A542-D544 PolarHBondContact O-N 3.18Å
543V34.9Very low47.7Very low98 Ų9882 Ų8259%0.59444%0.436SS*.  trans-72.7104179.6-177.90000108.9A545V543-A545 HydrophobicContact CG1-CB 4.37Å; V543-A545 PolarHBondContact O-N 3.13Å
544D36.7Very low50.6Low101 Ų10174.5 Ų74.554%0.5441%0.41SS..  trans-61.878.2171.7-87.4-24.8000110.7A542A542-D544 PolarHBondContact O-N 3.18Å
545A53.9Low53.6Low15 Ų1571.5 Ų71.512%0.12440%0.395CS..  trans-89-2-172.300000114.1V543 P629 P633V543-A545 HydrophobicContact CG1-CB 4.37Å; V543-A545 PolarHBondContact O-N 3.13Å; A545-P629 HydrophobicContact CB-CG 3.7Å; A545-P633 HydrophobicContact CB-CB 4.1Å
546Y59.9Low56.7Low23 Ų2364.1 Ų64.19%0.0936%0.361CS..SBendtrans-91123.9156.6-176.7-71000105.1S548 L606 R622 F631Y546-S548 PolarHBondContact O-N 3.17Å; Y546-L606 HydrophobicContact CE1-CD2 3.51Å; Y546-L606 PolarHBondContact OH-O 2.94Å; Y546-R622 VanDerWaalsContact CE1-NH1 3.35Å; Y546-F631 AromaticContact CD2-CD2 3.5Å; Y546-F631 HydrophobicContact CD2-CD2 3.5Å; Y546-F631 VanDerWaalsContact CD2-CD2 3.5Å; Y546-F631 AromaticContact CD2-CE2 3.68Å; Y546-F631 HydrophobicContact CD2-CE2 3.68Å; Y546-F631 HydrophobicContact CD2-CG 4.2Å; Y546-F631 HydrophobicContact CE2-CD2 4.04Å; Y546-F631 AromaticContact CE2-CE2 3.81Å; Y546-F631 HydrophobicContact CE2-CE2 3.81Å; Y546-F631 HydrophobicContact CE2-CZ 4.27Å
547P70Confident59.6Low3 Ų356.8 Ų56.82%0.01933%0.331CS..  trans-56.2112.6-172.724-34.4000110.1M420 F428 I552 L635M420-P547 HydrophobicContact SD-CG 3.6Å; F428-P547 HydrophobicContact CZ-CG 4.44Å; P547-I552 HydrophobicContact CB-CD1 4Å; P547-I552 HydrophobicContact CB-CG1 3.88Å; P547-I552 HydrophobicContact CG-CD1 4.11Å; P547-I552 HydrophobicContact CG-CG1 4.49Å; P547-L635 HydrophobicContact CB-CD1 4.09Å
548S72.9Confident62.3Low11 Ų1153.4 Ų53.48%0.07732%0.315CS..  trans-61153.2178.565.70000109.5Y546 I550 Q551 I552Y546-S548 PolarHBondContact O-N 3.17Å; S548-I550 PolarHBondContact O-N 2.76Å; S548-I550 VanDerWaalsContact OG-CG2 3.22Å; S548-I550 WeakPolarHBondContact OG-CG2 3.49Å; S548-Q551 VanDerWaalsContact CB-OE1 3.25Å; S548-Q551 WeakPolarHBondContact O-CB 3Å; S548-Q551 PolarHBondContact O-N 2.85Å; S548-Q551 WeakPolarHBondContact OG-CG 3.36Å; S548-Q551 PolarHBondContact OG-N 2.83Å; S548-Q551 PolarHBondContact OG-OE1 2.88Å; S548-I552 PolarHBondContact O-N 3.02Å
549A79.8Confident64.9Low2 Ų254.2 Ų54.22%0.01732%0.315CS..Hα-helixtrans-56.3-40.4-176.800000110.8I552 A553 W565 Y569 V602 L606A549-I552 PolarHBondContact O-N 3.42Å; A549-A553 WeakPolarHBondContact O-CB 3.02Å; A549-A553 PolarHBondContact O-N 3.43Å; A549-W565 VanDerWaalsContact C-CE3 3.47Å; A549-W565 VanDerWaalsContact C-CZ3 3.46Å; A549-W565 HydrophobicContact CB-CE3 3.74Å; A549-W565 HydrophobicContact CB-CZ3 3.6Å; A549-W565 VanDerWaalsContact O-CZ3 3.24Å; A549-W565 WeakPolarHBondContact O-CZ3 3.37Å; A549-Y569 HydrophobicContact CB-CD2 3.28Å; A549-Y569 HydrophobicContact CB-CE2 3.93Å; A549-Y569 HydrophobicContact CB-CG 3.8Å; A549-V602 HydrophobicContact CB-CG1 4.24Å; A549-L606 HydrophobicContact CB-CD1 4.18Å
550I80.9Confident67.2Low23 Ų2353.6 Ų53.612%0.11831%0.307CS..Hα-helixtrans-64.7-35.4174.9-168.9174.1000114.2S548 S554 L561 T562 W565 N566S548-I550 PolarHBondContact O-N 2.76Å; S548-I550 VanDerWaalsContact OG-CG2 3.22Å; S548-I550 WeakPolarHBondContact OG-CG2 3.49Å; I550-S554 VanDerWaalsContact O-CB 3.24Å; I550-S554 WeakPolarHBondContact O-CB 3.44Å; I550-S554 PolarHBondContact O-N 2.91Å; I550-S554 PolarHBondContact O-OG 3.19Å; I550-L561 HydrophobicContact CG1-CB 4.08Å; I550-T562 WeakPolarHBondContact CD1-O 3.49Å; I550-W565 HydrophobicContact CB-CB 4.16Å; I550-W565 HydrophobicContact CD1-CB 4.28Å; I550-W565 HydrophobicContact CG1-CB 4.18Å; I550-N566 PolarHBondContact N-OD1 2.91Å
551Q80.9Confident69.2Low42 Ų4248.5 Ų48.520%0.19627%0.271CS..Hα-helixtrans-63.6-44.2174.2-83.3158.9-58.900111.2S548 S554 A555 L635S548-Q551 VanDerWaalsContact CB-OE1 3.25Å; S548-Q551 WeakPolarHBondContact O-CB 3Å; S548-Q551 PolarHBondContact O-N 2.85Å; S548-Q551 WeakPolarHBondContact OG-CG 3.36Å; S548-Q551 PolarHBondContact OG-N 2.83Å; S548-Q551 PolarHBondContact OG-OE1 2.88Å; Q551-S554 PolarHBondContact O-N 3.25Å; Q551-A555 WeakPolarHBondContact O-CB 3.04Å; Q551-A555 PolarHBondContact O-N 3.39Å; Q551-L635 HydrophobicContact CB-CB 4.14Å; Q551-L635 HydrophobicContact CB-CD1 3.91Å; Q551-L635 PolarHBondContact NE2-O 3.09Å
552I84.9Confident71.1Confident0 Ų044.2 Ų44.20%026%0.256CS..Hα-helixtrans-69.1-45.3-179.8-57.3176.4000110.6F428 L432 P547 S548 A549 S554 A555 I556 V602 I605 L606 L635F428-I552 HydrophobicContact CZ-CD1 4.3Å; F428-I552 HydrophobicContact CZ-CG1 4.42Å; L432-I552 HydrophobicContact CD1-CG2 4.49Å; L432-I552 HydrophobicContact CD2-CG2 3.89Å; P547-I552 HydrophobicContact CB-CD1 4Å; P547-I552 HydrophobicContact CB-CG1 3.88Å; P547-I552 HydrophobicContact CG-CD1 4.11Å; P547-I552 HydrophobicContact CG-CG1 4.49Å; S548-I552 PolarHBondContact O-N 3.02Å; A549-I552 PolarHBondContact O-N 3.42Å; I552-S554 VanDerWaalsContact C-N 3.28Å; I552-S554 PolarHBondContact O-N 3.47Å; I552-A555 PolarHBondContact O-N 3.39Å; I552-I556 HydrophobicContact CG2-CD1 3.89Å; I552-I556 HydrophobicContact CG2-CG1 4.48Å; I552-I556 WeakPolarHBondContact O-CG1 3.49Å; I552-I556 PolarHBondContact O-N 2.91Å; I552-V602 HydrophobicContact CB-CG1 4.03Å; I552-V602 HydrophobicContact CB-CG2 4.2Å; I552-V602 HydrophobicContact CD1-CG1 4.37Å; I552-V602 HydrophobicContact CG2-CG1 4.21Å; I552-V602 HydrophobicContact CG2-CG2 3.9Å; I552-I605 HydrophobicContact CD1-CG2 4.01Å; I552-I605 HydrophobicContact CG2-CD1 3.77Å; I552-I605 HydrophobicContact CG2-CG2 4.35Å; I552-L606 HydrophobicContact CD1-CD1 4.23Å; I552-L606 HydrophobicContact CD1-CD2 3.21Å; I552-L606 HydrophobicContact CD1-CG 3.75Å; I552-L635 HydrophobicContact CB-CD1 4.35Å; I552-L635 HydrophobicContact CG1-CD1 3.73Å
553A84.9Confident72.6Confident0 Ų044.7 Ų44.70%025%0.254CS..Hα-helixtrans-58.4-41.5175.200000111.6A549 A557 L561 W565 V602A549-A553 WeakPolarHBondContact O-CB 3.02Å; A549-A553 PolarHBondContact O-N 3.43Å; A553-A557 VanDerWaalsContact O-CB 3.26Å; A553-A557 WeakPolarHBondContact O-CB 3.28Å; A553-A557 PolarHBondContact O-N 3.34Å; A553-L561 HydrophobicContact CB-CD1 3.46Å; A553-L561 VanDerWaalsContact CB-CD1 3.46Å; A553-W565 HydrophobicContact CB-CD2 4.28Å; A553-W565 HydrophobicContact CB-CE3 3.98Å; A553-W565 HydrophobicContact CB-CH2 3.81Å; A553-W565 HydrophobicContact CB-CZ2 4.15Å; A553-W565 HydrophobicContact CB-CZ3 3.7Å; A553-V602 HydrophobicContact CB-CG2 4.04Å
554S84.7Confident74.1Confident18 Ų1843.9 Ų43.913%0.12624%0.244CC..Hα-helixtrans-64.7-41.3174.9-590000112.8I550 Q551 I552 A557 G558 Q559 L561I550-S554 VanDerWaalsContact O-CB 3.24Å; I550-S554 WeakPolarHBondContact O-CB 3.44Å; I550-S554 PolarHBondContact O-N 2.91Å; I550-S554 PolarHBondContact O-OG 3.19Å; Q551-S554 PolarHBondContact O-N 3.25Å; I552-S554 VanDerWaalsContact C-N 3.28Å; I552-S554 PolarHBondContact O-N 3.47Å; S554-A557 PolarHBondContact O-N 2.76Å; S554-G558 WeakPolarHBondContact O-CA 3.45Å; S554-G558 PolarHBondContact O-N 3.07Å; S554-Q559 CarbonylContact C-O 3.59Å; S554-Q559 WeakPolarHBondContact CA-O 3.14Å; S554-Q559 WeakPolarHBondContact CB-O 3.5Å; S554-Q559 PolarHBondContact O-N 2.86Å; S554-L561 PolarHBondContact OG-N 2.81Å
555A83.9Confident75.5Confident31 Ų3139.9 Ų39.926%0.25622%0.221SC..Hα-helixtrans-67.2-37.2179.500000112.6L432 Q551 I552 L635L432-A555 HydrophobicContact CB-CB 4.49Å; L432-A555 HydrophobicContact CD1-CB 3.82Å; Q551-A555 WeakPolarHBondContact O-CB 3.04Å; Q551-A555 PolarHBondContact O-N 3.39Å; I552-A555 PolarHBondContact O-N 3.39Å; A555-L635 HydrophobicContact CB-CD1 4.12Å; A555-L635 HydrophobicContact CB-CD2 3.81Å
556I87Confident76.1Confident1 Ų141.8 Ų41.81%0.00523%0.229CC..Hα-helixtrans-73.6-38.6174.1-61.1165.3000111L432 L435 N436 I552 G558 L598 V602 I605L432-I556 HydrophobicContact CB-CG1 4.26Å; L432-I556 HydrophobicContact CD2-CD1 4.08Å; L432-I556 HydrophobicContact CD2-CG1 3.86Å; L435-I556 HydrophobicContact CB-CG1 4.29Å; L435-I556 HydrophobicContact CB-CG2 3.85Å; L435-I556 HydrophobicContact CD1-CD1 3.96Å; L435-I556 HydrophobicContact CD1-CG1 4.26Å; N436-I556 WeakPolarHBondContact CA-O 3.27Å; N436-I556 WeakPolarHBondContact CB-O 3.25Å; N436-I556 VanDerWaalsContact CG-O 3.26Å; N436-I556 PolarHBondContact ND2-O 2.83Å; I552-I556 HydrophobicContact CG2-CD1 3.89Å; I552-I556 HydrophobicContact CG2-CG1 4.48Å; I552-I556 WeakPolarHBondContact O-CG1 3.49Å; I552-I556 PolarHBondContact O-N 2.91Å; I556-G558 PolarHBondContact O-N 3.45Å; I556-L598 HydrophobicContact CB-CD1 3.76Å; I556-L598 HydrophobicContact CD1-CD1 3.85Å; I556-L598 HydrophobicContact CG1-CD1 4.43Å; I556-L598 HydrophobicContact CG2-CD1 3.51Å; I556-V602 HydrophobicContact CD1-CG2 4.28Å; I556-I605 HydrophobicContact CD1-CD1 3.71Å
557A85.3Confident76.6Confident13 Ų1346.8 Ų46.811%0.10725%0.252CS..Hα-helixtrans-70.9-19.217500000113.4A553 S554 Q559 L561 L598A553-A557 VanDerWaalsContact O-CB 3.26Å; A553-A557 WeakPolarHBondContact O-CB 3.28Å; A553-A557 PolarHBondContact O-N 3.34Å; S554-A557 PolarHBondContact O-N 2.76Å; A557-Q559 PolarHBondContact O-N 3.29Å; A557-L561 HydrophobicContact CB-CD2 4.5Å; A557-L598 HydrophobicContact CB-CD2 4.41Å
558G80.6Confident76.4Confident49 Ų4951.1 Ų51.151%0.50527%0.267SS..THydrogen-bonded Turntrans73.23.5-172.800000114.2N436 S554 I556N436-G558 WeakPolarHBondContact ND2-CA 3.29Å; N436-G558 PolarHBondContact ND2-N 2.69Å; S554-G558 WeakPolarHBondContact O-CA 3.45Å; S554-G558 PolarHBondContact O-N 3.07Å; I556-G558 PolarHBondContact O-N 3.45Å
559Q79.7Confident76.2Confident118 Ų11851 Ų5155%0.55127%0.266SS*.SBendtrans-137.9150.2-175.4-61.6-170.91.500110.6S554 A557 L561S554-Q559 CarbonylContact C-O 3.59Å; S554-Q559 WeakPolarHBondContact CA-O 3.14Å; S554-Q559 WeakPolarHBondContact CB-O 3.5Å; S554-Q559 PolarHBondContact O-N 2.86Å; A557-Q559 PolarHBondContact O-N 3.29Å; Q559-L561 PolarHBondContact O-N 3.13Å
560R76.5Confident75.6Confident197 Ų19754.6 Ų54.674%0.74328%0.284SS*.  trans-79111.2-176.4-177.2179.8179.71751.3111.2
561L74.5Confident74.8Confident9 Ų961.6 Ų61.65%0.04731%0.314CS..  trans-75.8166.5178.7-57.5179.9000113.1I550 A553 S554 A557 Q559 T582 F583I550-L561 HydrophobicContact CG1-CB 4.08Å; A553-L561 HydrophobicContact CB-CD1 3.46Å; A553-L561 VanDerWaalsContact CB-CD1 3.46Å; S554-L561 PolarHBondContact OG-N 2.81Å; A557-L561 HydrophobicContact CB-CD2 4.5Å; Q559-L561 PolarHBondContact O-N 3.13Å; L561-T582 WeakPolarHBondContact CD2-OG1 3.26Å; L561-F583 HydrophobicContact CD1-CB 4.44Å; L561-F583 HydrophobicContact CD1-CD2 4.1Å; L561-F583 HydrophobicContact CD2-CB 4.16Å
562T70Confident73.8Confident81 Ų8159.9 Ų59.950%0.49731%0.308SS..  trans-87.7149.6-17651.70000114.8I550 E564 W565 D580I550-T562 WeakPolarHBondContact CD1-O 3.49Å; T562-E564 PolarHBondContact O-N 2.7Å; T562-W565 PolarHBondContact O-N 3.46Å; T562-D580 PolarHBondContact N-OD2 3.45Å; T562-D580 PolarHBondContact OG1-OD2 3.21Å
563S63.2Low72.5Confident103 Ų10360.3 Ų60.372%0.7231%0.31SS*.THydrogen-bonded Turntrans-66.7-9.1-160.6550000117.1W565S563-W565 PolarHBondContact O-N 3.21Å
564E66Low70.8Confident82 Ų8265.6 Ų65.638%0.38333%0.33SS..THydrogen-bonded Turntrans-61.9-27.7176.3-70-103.2105.100112.9T562 N566 K567 W568T562-E564 PolarHBondContact O-N 2.7Å; E564-N566 VanDerWaalsContact C-N 3.28Å; E564-N566 PolarHBondContact O-N 2.78Å; E564-N566 VanDerWaalsContact O-N 3.14Å; E564-K567 WeakPolarHBondContact O-CA 3.35Å; E564-K567 VanDerWaalsContact O-CB 3.3Å; E564-K567 WeakPolarHBondContact O-CB 3.45Å; E564-K567 PolarHBondContact O-N 3.18Å; E564-K567 IonicContact OE1-NZ 3.14Å; E564-K567 PolarHBondContact OE1-NZ 3.13Å; E564-W568 PolarHBondContact O-N 2.8Å
565W65.8Low69.2Low17 Ų1767.4 Ų67.46%0.06434%0.338CS..Hα-helixtrans-60-32.1-166.7-141.375.5000114.4A549 I550 A553 T562 S563 K567 W568 Y569 F573 F583 V602A549-W565 VanDerWaalsContact C-CE3 3.47Å; A549-W565 VanDerWaalsContact C-CZ3 3.46Å; A549-W565 HydrophobicContact CB-CE3 3.74Å; A549-W565 HydrophobicContact CB-CZ3 3.6Å; A549-W565 VanDerWaalsContact O-CZ3 3.24Å; A549-W565 WeakPolarHBondContact O-CZ3 3.37Å; I550-W565 HydrophobicContact CB-CB 4.16Å; I550-W565 HydrophobicContact CD1-CB 4.28Å; I550-W565 HydrophobicContact CG1-CB 4.18Å; A553-W565 HydrophobicContact CB-CD2 4.28Å; A553-W565 HydrophobicContact CB-CE3 3.98Å; A553-W565 HydrophobicContact CB-CH2 3.81Å; A553-W565 HydrophobicContact CB-CZ2 4.15Å; A553-W565 HydrophobicContact CB-CZ3 3.7Å; T562-W565 PolarHBondContact O-N 3.46Å; S563-W565 PolarHBondContact O-N 3.21Å; W565-K567 VanDerWaalsContact C-N 3.33Å; W565-K567 PolarHBondContact O-N 3.46Å; W565-W568 PolarHBondContact O-N 3.23Å; W565-Y569 PolarHBondContact O-N 3.44Å; W565-F573 HydrophobicContact CE3-CE1 4.46Å; W565-F573 AromaticContact CH2-CE1 3.41Å; W565-F573 HydrophobicContact CH2-CE1 3.41Å; W565-F573 VanDerWaalsContact CH2-CE1 3.41Å; W565-F573 AromaticContact CH2-CZ 3.52Å; W565-F573 HydrophobicContact CH2-CZ 3.52Å; W565-F573 AromaticContact CZ2-CE1 3.6Å; W565-F573 HydrophobicContact CZ2-CE1 3.6Å; W565-F573 HydrophobicContact CZ2-CZ 4.18Å; W565-F573 AromaticContact CZ3-CE1 3.89Å; W565-F573 HydrophobicContact CZ3-CE1 3.89Å; W565-F573 AromaticContact CZ3-CZ 3.86Å; W565-F573 HydrophobicContact CZ3-CZ 3.86Å; W565-F583 AromaticContact CE2-CE2 3.61Å; W565-F583 HydrophobicContact CH2-CE2 4.36Å; W565-F583 HydrophobicContact CZ2-CD2 4.18Å; W565-F583 AromaticContact CZ2-CE2 3.29Å; W565-F583 HydrophobicContact CZ2-CE2 3.29Å; W565-F583 AromaticContact CZ2-CZ 3.73Å; W565-F583 HydrophobicContact CZ2-CZ 3.73Å; W565-F583 AromaticContact NE1-CD2 3.71Å; W565-F583 AromaticContact NE1-CE2 3.49Å; W565-F583 AromaticContact NE1-CZ 3.76Å; W565-V602 HydrophobicContact CH2-CB 3.88Å; W565-V602 HydrophobicContact CH2-CG1 4.24Å; W565-V602 HydrophobicContact CH2-CG2 3.85Å; W565-V602 HydrophobicContact CZ3-CB 4.14Å; W565-V602 HydrophobicContact CZ3-CG1 3.99Å; W565-V602 HydrophobicContact CZ3-CG2 4.17Å
566N67.6Low67.3Low54 Ų5468.4 Ų68.429%0.28934%0.342SS..Hα-helixtrans-69.4-27.2175.2-72.7-17.6000112.7I550 E564 N570I550-N566 PolarHBondContact N-OD1 2.91Å; E564-N566 VanDerWaalsContact C-N 3.28Å; E564-N566 PolarHBondContact O-N 2.78Å; E564-N566 VanDerWaalsContact O-N 3.14Å; N566-N570 WeakPolarHBondContact O-CB 3.4Å; N566-N570 PolarHBondContact O-N 2.85Å; N566-N570 PolarHBondContact O-ND2 3.42Å
567K69.3Low65.5Low129 Ų12976.2 Ų76.256%0.56138%0.378SS*.Hα-helixtrans-69.7-42.3172.1-57.1176.4-171.51640110.6E564 W565 N570 K571E564-K567 WeakPolarHBondContact O-CA 3.35Å; E564-K567 VanDerWaalsContact O-CB 3.3Å; E564-K567 WeakPolarHBondContact O-CB 3.45Å; E564-K567 PolarHBondContact O-N 3.18Å; E564-K567 IonicContact OE1-NZ 3.14Å; E564-K567 PolarHBondContact OE1-NZ 3.13Å; W565-K567 VanDerWaalsContact C-N 3.33Å; W565-K567 PolarHBondContact O-N 3.46Å; K567-N570 PolarHBondContact O-N 3.39Å; K567-K571 PolarHBondContact O-N 2.97Å
568W65.7Low64.1Low93 Ų9376.8 Ų76.835%0.35238%0.381SS..Hα-helixtrans-63.2-49.6176.7-73101.6000111.6E564 W565 N570 K571 G572 P576E564-W568 PolarHBondContact O-N 2.8Å; W565-W568 PolarHBondContact O-N 3.23Å; W568-N570 VanDerWaalsContact C-N 3.25Å; W568-N570 PolarHBondContact O-N 3.35Å; W568-K571 PolarHBondContact O-N 2.91Å; W568-K571 VanDerWaalsContact O-N 3.12Å; W568-G572 PolarHBondContact O-N 3.31Å; W568-P576 HydrophobicContact CH2-CB 4.23Å; W568-P576 HydrophobicContact CH2-CG 3.8Å; W568-P576 HydrophobicContact CZ3-CG 3.66Å
569Y70.3Confident63Low10 Ų1081.3 Ų81.34%0.03940%0.398CS..Hα-helixtrans-49-48.3173.2-172.6-78.6000112.1A549 W565 K571 G572 F573 L606 N607 F615A549-Y569 HydrophobicContact CB-CD2 3.28Å; A549-Y569 HydrophobicContact CB-CE2 3.93Å; A549-Y569 HydrophobicContact CB-CG 3.8Å; W565-Y569 PolarHBondContact O-N 3.44Å; Y569-K571 VanDerWaalsContact C-N 3.31Å; Y569-K571 PolarHBondContact O-N 3.17Å; Y569-G572 PolarHBondContact O-N 3.16Å; Y569-F573 HydrophobicContact CD2-CE1 4Å; Y569-F573 AromaticContact CD2-CE2 3.48Å; Y569-F573 HydrophobicContact CD2-CE2 3.48Å; Y569-F573 VanDerWaalsContact CD2-CE2 3.48Å; Y569-F573 AromaticContact CD2-CZ 3.22Å; Y569-F573 HydrophobicContact CD2-CZ 3.22Å; Y569-F573 AromaticContact CE2-CE2 3.53Å; Y569-F573 HydrophobicContact CE2-CE2 3.53Å; Y569-F573 AromaticContact CE2-CZ 3.69Å; Y569-F573 HydrophobicContact CE2-CZ 3.69Å; Y569-F573 HydrophobicContact CG-CE2 4.44Å; Y569-F573 HydrophobicContact CG-CZ 4.19Å; Y569-L606 HydrophobicContact CE2-CD1 3.76Å; Y569-N607 PolarHBondContact OH-ND2 3.5Å; Y569-N607 PolarHBondContact OH-OD1 3.45Å; Y569-F615 HydrophobicContact CE1-CE2 4.25Å; Y569-F615 HydrophobicContact CE1-CZ 4.22Å; Y569-F615 AromaticContact CZ-CE2 3.92Å
570N66.3Low62.5Low77 Ų7776.8 Ų76.841%0.41238%0.377SS..Hα-helixtrans-71.7-21.4-174.2-77.2-32.2000113.9N566 K567 W568 G572 R619N566-N570 WeakPolarHBondContact O-CB 3.4Å; N566-N570 PolarHBondContact O-N 2.85Å; N566-N570 PolarHBondContact O-ND2 3.42Å; K567-N570 PolarHBondContact O-N 3.39Å; W568-N570 VanDerWaalsContact C-N 3.25Å; W568-N570 PolarHBondContact O-N 3.35Å; N570-G572 VanDerWaalsContact C-N 3.3Å; N570-R619 PolarHBondContact O-NH1 3.45Å
571K64.6Low62.5Low169 Ų16974.9 Ų74.974%0.73538%0.375SS*.Hα-helixtrans-81.9-8.5169-70.7-175.7175.7-174.20113.2K567 W568 Y569K567-K571 PolarHBondContact O-N 2.97Å; W568-K571 PolarHBondContact O-N 2.91Å; W568-K571 VanDerWaalsContact O-N 3.12Å; Y569-K571 VanDerWaalsContact C-N 3.31Å; Y569-K571 PolarHBondContact O-N 3.17Å
572G58.6Low62.5Low7 Ų776.4 Ų76.47%0.07238%0.384CS..  trans86.8142.8-168.600000110.6V146 W568 Y569 N570 Y574V146-G572 VanDerWaalsContact CG2-C 3.5Å; W568-G572 PolarHBondContact O-N 3.31Å; Y569-G572 PolarHBondContact O-N 3.16Å; N570-G572 VanDerWaalsContact C-N 3.3Å; G572-Y574 PolarHBondContact O-N 2.9Å
573F57.9Low62.9Low9 Ų972.7 Ų72.74%0.03936%0.361CS..  trans-78.695.9-176.4-63.2-72.1000109.9A144 S145 W565 Y569 C603A144-F573 VanDerWaalsContact CA-O 3.26Å; A144-F573 WeakPolarHBondContact CA-O 3.42Å; S145-F573 PolarHBondContact N-O 3.31Å; S145-F573 PolarHBondContact OG-N 3.09Å; S145-F573 VanDerWaalsContact OG-N 3.14Å; W565-F573 HydrophobicContact CE3-CE1 4.46Å; W565-F573 AromaticContact CH2-CE1 3.41Å; W565-F573 HydrophobicContact CH2-CE1 3.41Å; W565-F573 VanDerWaalsContact CH2-CE1 3.41Å; W565-F573 AromaticContact CH2-CZ 3.52Å; W565-F573 HydrophobicContact CH2-CZ 3.52Å; W565-F573 AromaticContact CZ2-CE1 3.6Å; W565-F573 HydrophobicContact CZ2-CE1 3.6Å; W565-F573 HydrophobicContact CZ2-CZ 4.18Å; W565-F573 AromaticContact CZ3-CE1 3.89Å; W565-F573 HydrophobicContact CZ3-CE1 3.89Å; W565-F573 AromaticContact CZ3-CZ 3.86Å; W565-F573 HydrophobicContact CZ3-CZ 3.86Å; Y569-F573 HydrophobicContact CD2-CE1 4Å; Y569-F573 AromaticContact CD2-CE2 3.48Å; Y569-F573 HydrophobicContact CD2-CE2 3.48Å; Y569-F573 VanDerWaalsContact CD2-CE2 3.48Å; Y569-F573 AromaticContact CD2-CZ 3.22Å; Y569-F573 HydrophobicContact CD2-CZ 3.22Å; Y569-F573 AromaticContact CE2-CE2 3.53Å; Y569-F573 HydrophobicContact CE2-CE2 3.53Å; Y569-F573 AromaticContact CE2-CZ 3.69Å; Y569-F573 HydrophobicContact CE2-CZ 3.69Å; Y569-F573 HydrophobicContact CG-CE2 4.44Å; Y569-F573 HydrophobicContact CG-CZ 4.19Å; F573-C603 HydrophobicContact CD2-CB 3.95Å; F573-C603 HydrophobicContact CE2-CB 3.75Å
574Y50.3Low63.7Low110 Ų11069.6 Ų69.643%0.43134%0.336SS..  trans-97.7151.6132.7-170.1-115.7000106.9Y140 A144 T149 G572 P576Y140-Y574 HydrophobicContact CE1-CE2 4.2Å; A144-Y574 HydrophobicContact CB-CD2 4.37Å; T149-Y574 HydrophobicContact CG2-CD2 4.06Å; T149-Y574 HydrophobicContact CG2-CE2 4.36Å; G572-Y574 PolarHBondContact O-N 2.9Å; Y574-P576 VanDerWaalsContact C-CD 3.42Å; Y574-P576 HydrophobicContact CD1-CG 4.01Å; Y574-P576 WeakPolarHBondContact O-CD 3.39Å
575I49.8Very low64.5Low56 Ų5668.6 Ų68.629%0.28734%0.338SS..  trans-112.184.8177.9-54.1173.1000109.1T578 F583 P597I575-T578 HydrophobicContact CG2-CG2 4.14Å; I575-F583 HydrophobicContact CD1-CE1 4.24Å; I575-F583 HydrophobicContact CD1-CZ 4.1Å; I575-F583 HydrophobicContact CG2-CE1 4.09Å; I575-P597 HydrophobicContact CD1-CB 4.17Å
576P44.9Very low65.4Low53 Ų5368.7 Ų68.734%0.34434%0.34SS..  trans-57.9160.1152.1-20.134.5000110.2W568 Y574 T578W568-P576 HydrophobicContact CH2-CB 4.23Å; W568-P576 HydrophobicContact CH2-CG 3.8Å; W568-P576 HydrophobicContact CZ3-CG 3.66Å; Y574-P576 VanDerWaalsContact C-CD 3.42Å; Y574-P576 HydrophobicContact CD1-CG 4.01Å; Y574-P576 WeakPolarHBondContact O-CD 3.39Å; P576-T578 PolarHBondContact O-N 3.2Å
577H48.9Very low66.3Low165 Ų16566.5 Ų66.576%0.76433%0.329SS*.  trans-50.7109177.8-67.9-75.4000111.7E584H577-E584 IonicContact CE1-OE1 2.81Å; H577-E584 IonicContact ND1-OE1 3.96Å; H577-E584 PolarHBondContact ND1-OE1 3.21Å
578T55.8Low67.1Low25 Ų2565.8 Ų65.815%0.15333%0.326CS..  trans-77.3138.8178.9500000110.2I575 P576 D580 F583I575-T578 HydrophobicContact CG2-CG2 4.14Å; P576-T578 PolarHBondContact O-N 3.2Å; T578-D580 PolarHBondContact O-N 3.04Å; T578-D580 VanDerWaalsContact O-N 3.14Å; T578-F583 HydrophobicContact CG2-CD1 4.03Å; T578-F583 HydrophobicContact CG2-CE1 4.1Å; T578-F583 WeakPolarHBondContact OG1-CD1 3.11Å
579V56.7Low68.2Low144 Ų14462.8 Ų62.887%0.87332%0.319SS*.SBendtrans-62.8-20176.2-161.60000112.4F581V579-F581 PolarHBondContact O-N 3.07Å
580D71.1Confident69.2Low22 Ų2262.3 Ų62.312%0.11832%0.318CS..  trans-82.695.9179.7-153.8-48.1000111.7T562 T578 T582 F583 E584T562-D580 PolarHBondContact N-OD2 3.45Å; T562-D580 PolarHBondContact OG1-OD2 3.21Å; T578-D580 PolarHBondContact O-N 3.04Å; T578-D580 VanDerWaalsContact O-N 3.14Å; D580-T582 PolarHBondContact O-N 2.74Å; D580-T582 PolarHBondContact OD1-N 3.22Å; D580-T582 PolarHBondContact OD1-OG1 3.27Å; D580-F583 HydrophobicContact CB-CB 4.24Å; D580-F583 PolarHBondContact O-N 2.66Å; D580-E584 PolarHBondContact O-N 3.26Å; D580-E584 VanDerWaalsContact O-N 3.13Å
581F76.4Confident70.3Confident158 Ų15862.7 Ų62.769%0.69332%0.319SS*.Hα-helixtrans-54.9-31.6-179.9178.7-97.2000113.3V579 E584 S585V579-F581 PolarHBondContact O-N 3.07Å; F581-E584 PolarHBondContact O-N 2.99Å; F581-S585 VanDerWaalsContact O-CB 3.23Å; F581-S585 WeakPolarHBondContact O-CB 3.42Å; F581-S585 PolarHBondContact O-N 2.91Å
582T74Confident71.5Confident40 Ų4056.4 Ų56.425%0.24530%0.297CS..Hα-helixtrans-69.1-44.2-177.971.90000111L561 D580 S585 V586L561-T582 WeakPolarHBondContact CD2-OG1 3.26Å; D580-T582 PolarHBondContact O-N 2.74Å; D580-T582 PolarHBondContact OD1-N 3.22Å; D580-T582 PolarHBondContact OD1-OG1 3.27Å; T582-S585 PolarHBondContact O-N 3.16Å; T582-V586 WeakPolarHBondContact O-CG2 3.46Å; T582-V586 PolarHBondContact O-N 3.06Å; T582-V586 VanDerWaalsContact O-N 3.07Å
583F77.5Confident73.1Confident3 Ų356.3 Ų56.31%0.01330%0.295CS..Hα-helixtrans-64.1-42.8174.3176.2-87.7000112.1L561 W565 I575 T578 D580 S587 L598L561-F583 HydrophobicContact CD1-CB 4.44Å; L561-F583 HydrophobicContact CD1-CD2 4.1Å; L561-F583 HydrophobicContact CD2-CB 4.16Å; W565-F583 AromaticContact CE2-CE2 3.61Å; W565-F583 HydrophobicContact CH2-CE2 4.36Å; W565-F583 HydrophobicContact CZ2-CD2 4.18Å; W565-F583 AromaticContact CZ2-CE2 3.29Å; W565-F583 HydrophobicContact CZ2-CE2 3.29Å; W565-F583 AromaticContact CZ2-CZ 3.73Å; W565-F583 HydrophobicContact CZ2-CZ 3.73Å; W565-F583 AromaticContact NE1-CD2 3.71Å; W565-F583 AromaticContact NE1-CE2 3.49Å; W565-F583 AromaticContact NE1-CZ 3.76Å; I575-F583 HydrophobicContact CD1-CE1 4.24Å; I575-F583 HydrophobicContact CD1-CZ 4.1Å; I575-F583 HydrophobicContact CG2-CE1 4.09Å; T578-F583 HydrophobicContact CG2-CD1 4.03Å; T578-F583 HydrophobicContact CG2-CE1 4.1Å; T578-F583 WeakPolarHBondContact OG1-CD1 3.11Å; D580-F583 HydrophobicContact CB-CB 4.24Å; D580-F583 PolarHBondContact O-N 2.66Å; F583-S587 WeakPolarHBondContact O-CB 3.28Å; F583-S587 PolarHBondContact O-N 3.41Å; F583-S587 PolarHBondContact O-OG 3.04Å; F583-L598 HydrophobicContact CD2-CB 4.21Å; F583-L598 HydrophobicContact CD2-CD2 3.57Å; F583-L598 HydrophobicContact CD2-CG 3.98Å; F583-L598 HydrophobicContact CE2-CB 3.64Å; F583-L598 HydrophobicContact CE2-CD2 3.8Å; F583-L598 HydrophobicContact CE2-CG 3.64Å; F583-L598 HydrophobicContact CZ-CB 4.14Å
584E79.6Confident74.5Confident39 Ų3956.1 Ų56.118%0.18230%0.295CS..Hα-helixtrans-66.6-39.7179.3-150.9-157.1-16500111H577 D580 F581 S587 K588H577-E584 IonicContact CE1-OE1 2.81Å; H577-E584 IonicContact ND1-OE1 3.96Å; H577-E584 PolarHBondContact ND1-OE1 3.21Å; D580-E584 PolarHBondContact O-N 3.26Å; D580-E584 VanDerWaalsContact O-N 3.13Å; F581-E584 PolarHBondContact O-N 2.99Å; E584-S587 PolarHBondContact O-N 3.31Å; E584-K588 HydrophobicContact CG-CD 4.25Å; E584-K588 VanDerWaalsContact O-CB 3.32Å; E584-K588 WeakPolarHBondContact O-CB 3.3Å; E584-K588 VanDerWaalsContact O-CG 3.26Å; E584-K588 WeakPolarHBondContact O-CG 2.94Å; E584-K588 PolarHBondContact O-N 3.12Å; E584-K588 VanDerWaalsContact OE1-CE 3.29Å; E584-K588 WeakPolarHBondContact OE1-CE 3.41Å; E584-K588 IonicContact OE1-NZ 3.15Å; E584-K588 PolarHBondContact OE1-NZ 3.31Å; E584-K588 IonicContact OE2-NZ 2.71Å; E584-K588 PolarHBondContact OE2-NZ 2.82Å
585S83.9Confident76.5Confident61 Ų6150.9 Ų50.943%0.42728%0.275SS..Hα-helixtrans-61.8-50.5175.4-176.30000112.4F581 T582 S587 K588 S589F581-S585 VanDerWaalsContact O-CB 3.23Å; F581-S585 WeakPolarHBondContact O-CB 3.42Å; F581-S585 PolarHBondContact O-N 2.91Å; T582-S585 PolarHBondContact O-N 3.16Å; S585-S587 VanDerWaalsContact C-N 3.32Å; S585-S587 PolarHBondContact O-N 3.32Å; S585-K588 PolarHBondContact O-N 3.25Å; S585-S589 WeakPolarHBondContact O-CB 3.43Å; S585-S589 PolarHBondContact O-N 3.38Å
586V84.8Confident78.4Confident18 Ų1848.3 Ų48.311%0.10926%0.261CS..Hα-helixtrans-62.2-40.1177173.10000111.3A439 T582 S589 F590 L598A439-V586 HydrophobicContact CB-CG1 4.06Å; T582-V586 WeakPolarHBondContact O-CG2 3.46Å; T582-V586 PolarHBondContact O-N 3.06Å; T582-V586 VanDerWaalsContact O-N 3.07Å; V586-S589 WeakPolarHBondContact O-CB 3.43Å; V586-S589 PolarHBondContact O-N 2.99Å; V586-F590 HydrophobicContact CG1-CD2 4.12Å; V586-F590 HydrophobicContact CG1-CE2 3.69Å; V586-F590 HydrophobicContact CG1-CZ 4.2Å; V586-F590 WeakPolarHBondContact O-CD2 3.22Å; V586-F590 PolarHBondContact O-N 3.39Å; V586-F590 VanDerWaalsContact O-N 3.09Å; V586-L598 HydrophobicContact CB-CD2 4.35Å; V586-L598 HydrophobicContact CG1-CD2 4Å
587S86.2Confident80.5Confident9 Ų946.1 Ų46.16%0.06325%0.247CC..Hα-helixtrans-67.1-42.6177.7-59.60000112.4F583 E584 S585 S589 F590 L591 L598F583-S587 WeakPolarHBondContact O-CB 3.28Å; F583-S587 PolarHBondContact O-N 3.41Å; F583-S587 PolarHBondContact O-OG 3.04Å; E584-S587 PolarHBondContact O-N 3.31Å; S585-S587 VanDerWaalsContact C-N 3.32Å; S585-S587 PolarHBondContact O-N 3.32Å; S587-S589 VanDerWaalsContact C-N 3.32Å; S587-S589 PolarHBondContact O-N 2.86Å; S587-F590 PolarHBondContact O-N 3.25Å; S587-L591 WeakPolarHBondContact O-CB 3.39Å; S587-L591 VanDerWaalsContact O-CG 3.27Å; S587-L591 WeakPolarHBondContact O-CG 3.3Å; S587-L591 PolarHBondContact O-N 3.06Å; S587-L598 WeakPolarHBondContact OG-CB 3.48Å; S587-L598 PolarHBondContact OG-N 3.19Å
588K87Confident82.3Confident113 Ų11338.2 Ų38.249%0.49121%0.211SC..Hα-helixtrans-63.4-36.9173.3-75.8169.9176.6171.60111.8E584 S585 S592E584-K588 HydrophobicContact CG-CD 4.25Å; E584-K588 VanDerWaalsContact O-CB 3.32Å; E584-K588 WeakPolarHBondContact O-CB 3.3Å; E584-K588 VanDerWaalsContact O-CG 3.26Å; E584-K588 WeakPolarHBondContact O-CG 2.94Å; E584-K588 PolarHBondContact O-N 3.12Å; E584-K588 VanDerWaalsContact OE1-CE 3.29Å; E584-K588 WeakPolarHBondContact OE1-CE 3.41Å; E584-K588 IonicContact OE1-NZ 3.15Å; E584-K588 PolarHBondContact OE1-NZ 3.31Å; E584-K588 IonicContact OE2-NZ 2.71Å; E584-K588 PolarHBondContact OE2-NZ 2.82Å; S585-K588 PolarHBondContact O-N 3.25Å; K588-S592 WeakPolarHBondContact O-CB 3.44Å; K588-S592 PolarHBondContact O-N 2.84Å; K588-S592 VanDerWaalsContact O-N 3.07Å
589S88.2Confident83.6Confident31 Ų3137 Ų3722%0.21720%0.203CC..Hα-helixtrans-58.1-55.9174.1-170.50000110.9V54 A439 S585 V586 S587 L591 S592V54-S589 WeakPolarHBondContact CG1-O 3.47Å; A439-S589 PolarHBondContact O-OG 3.29Å; S585-S589 WeakPolarHBondContact O-CB 3.43Å; S585-S589 PolarHBondContact O-N 3.38Å; V586-S589 WeakPolarHBondContact O-CB 3.43Å; V586-S589 PolarHBondContact O-N 2.99Å; S587-S589 VanDerWaalsContact C-N 3.32Å; S587-S589 PolarHBondContact O-N 2.86Å; S589-L591 PolarHBondContact O-N 3.21Å; S589-S592 PolarHBondContact O-N 3.44Å; S589-S592 PolarHBondContact O-OG 3.1Å
590F91.5Very high85.1Confident0 Ų030.7 Ų30.70%017%0.165CC..Hα-helixtrans-58.8-47177-68-43.5000113.2V54 Q409 L435 I438 A439 V586 S587 S592 V593 G595 L596V54-F590 HydrophobicContact CG2-CD1 4.12Å; Q409-F590 VanDerWaalsContact NE2-CE1 3.29Å; L435-F590 WeakPolarHBondContact O-CZ 3.22Å; I438-F590 HydrophobicContact CB-CE1 4.32Å; I438-F590 HydrophobicContact CG2-CD1 4.3Å; I438-F590 HydrophobicContact CG2-CE1 3.93Å; A439-F590 HydrophobicContact CB-CD1 4.14Å; A439-F590 HydrophobicContact CB-CE1 3.54Å; A439-F590 HydrophobicContact CB-CZ 3.77Å; V586-F590 HydrophobicContact CG1-CD2 4.12Å; V586-F590 HydrophobicContact CG1-CE2 3.69Å; V586-F590 HydrophobicContact CG1-CZ 4.2Å; V586-F590 WeakPolarHBondContact O-CD2 3.22Å; V586-F590 PolarHBondContact O-N 3.39Å; V586-F590 VanDerWaalsContact O-N 3.09Å; S587-F590 PolarHBondContact O-N 3.25Å; F590-S592 PolarHBondContact O-N 2.88Å; F590-V593 VanDerWaalsContact O-CG2 3.31Å; F590-V593 WeakPolarHBondContact O-CG2 3.26Å; F590-V593 PolarHBondContact O-N 3.49Å; F590-G595 WeakPolarHBondContact O-CA 3.05Å; F590-G595 PolarHBondContact O-N 3.47Å; F590-L596 WeakPolarHBondContact CB-O 3.47Å; F590-L596 VanDerWaalsContact CD2-O 3.24Å; F590-L596 WeakPolarHBondContact CD2-O 3.37Å; F590-L596 WeakPolarHBondContact CG-O 3.45Å
591L89.8Confident86Confident84 Ų8429.6 Ų29.644%0.4416%0.159SC..Hα-helixtrans-62.4-29.2-178.3-72.3167.9000112.6S587 S589 V593 G594 P597S587-L591 WeakPolarHBondContact O-CB 3.39Å; S587-L591 VanDerWaalsContact O-CG 3.27Å; S587-L591 WeakPolarHBondContact O-CG 3.3Å; S587-L591 PolarHBondContact O-N 3.06Å; S589-L591 PolarHBondContact O-N 3.21Å; L591-V593 PolarHBondContact O-N 3.39Å; L591-G594 PolarHBondContact O-N 3.16Å; L591-G594 VanDerWaalsContact O-N 3.13Å; L591-P597 HydrophobicContact CD1-CB 4.45Å
592S89.5Confident86.5Confident38 Ų3822.1 Ų22.127%0.26613%0.126SC..THydrogen-bonded Turntrans-65.2-6.5177.677.50000115.2K588 S589 F590K588-S592 WeakPolarHBondContact O-CB 3.44Å; K588-S592 PolarHBondContact O-N 2.84Å; K588-S592 VanDerWaalsContact O-N 3.07Å; S589-S592 PolarHBondContact O-N 3.44Å; S589-S592 PolarHBondContact O-OG 3.1Å; F590-S592 PolarHBondContact O-N 2.88Å
593V90.8Very high87.1Confident5 Ų520.4 Ų20.43%0.0312%0.116CC..THydrogen-bonded Turntrans-13123.7174.8-65.20000112.8V54 K58 T61 C405 F590 L591 G595V54-V593 HydrophobicContact CB-CG2 4.23Å; V54-V593 HydrophobicContact CG1-CG1 4.03Å; V54-V593 HydrophobicContact CG1-CG2 4.14Å; V54-V593 HydrophobicContact CG2-CG2 3.8Å; K58-V593 HydrophobicContact CB-CG1 3.93Å; T61-V593 HydrophobicContact CG2-CB 4.23Å; T61-V593 HydrophobicContact CG2-CG1 4.45Å; C405-V593 HydrophobicContact CB-CG2 3.91Å; F590-V593 VanDerWaalsContact O-CG2 3.31Å; F590-V593 WeakPolarHBondContact O-CG2 3.26Å; F590-V593 PolarHBondContact O-N 3.49Å; L591-V593 PolarHBondContact O-N 3.39Å; V593-G595 PolarHBondContact O-N 3.4Å
594G88.5Confident87.8Confident5 Ų520.6 Ų20.65%0.05212%0.117CC..THydrogen-bonded Turntrans72.29-17900000114.4N100 S406 L591N100-G594 PolarHBondContact ND2-O 3.38Å; S406-G594 WeakPolarHBondContact CB-O 3.42Å; L591-G594 PolarHBondContact O-N 3.16Å; L591-G594 VanDerWaalsContact O-N 3.13Å
595G91.2Very high88.3Confident0 Ų018.7 Ų18.70%011%0.108CC..PPolyproline II helixtrans-69.1164.1177.200000113.2F590 V593F590-G595 WeakPolarHBondContact O-CA 3.05Å; F590-G595 PolarHBondContact O-N 3.47Å; V593-G595 PolarHBondContact O-N 3.4Å
596L90.9Very high88.4Confident2 Ų215.8 Ų15.81%0.019%0.088CC..PPolyproline II helixtrans-68.5140.8175.5-54-176.4000111Q142 Q409 I410 F590 T600 L604Q142-L596 HydrophobicContact CG-CD2 3.69Å; Q409-L596 HydrophobicContact CB-CD1 4.08Å; Q409-L596 HydrophobicContact CB-CG 4.24Å; Q409-L596 PolarHBondContact NE2-O 3.17Å; I410-L596 HydrophobicContact CG1-CD1 3.85Å; I410-L596 HydrophobicContact CG1-CD2 4.37Å; I410-L596 HydrophobicContact CG1-CG 4.43Å; F590-L596 WeakPolarHBondContact CB-O 3.47Å; F590-L596 VanDerWaalsContact CD2-O 3.24Å; F590-L596 WeakPolarHBondContact CD2-O 3.37Å; F590-L596 WeakPolarHBondContact CG-O 3.45Å; L596-T600 HydrophobicContact CB-CG2 4.48Å; L596-T600 HydrophobicContact CD1-CG2 4.24Å; L596-T600 HydrophobicContact CD2-CG2 4.37Å; L596-L604 HydrophobicContact CD1-CD1 3.52Å
597P87.9Confident88.4Confident6 Ų615.2 Ų15.24%0.0398%0.084CC..PPolyproline II helixtrans-67.4153.5168.430.5-34.4000110.5N143 I575 L591 G599 T600 C601N143-P597 VanDerWaalsContact OD1-CD 3.26Å; N143-P597 WeakPolarHBondContact OD1-CD 3.47Å; N143-P597 WeakPolarHBondContact OD1-CG 3.34Å; I575-P597 HydrophobicContact CD1-CB 4.17Å; L591-P597 HydrophobicContact CD1-CB 4.45Å; P597-G599 PolarHBondContact O-N 3.48Å; P597-G599 VanDerWaalsContact O-N 3.13Å; P597-T600 PolarHBondContact O-N 2.91Å; P597-C601 PolarHBondContact O-N 2.85Å
598L86.8Confident88.5Confident0 Ų014.8 Ų14.80%08%0.081CC..Hα-helixtrans-61.5-29.4-172.3-179.754.1000113.1I556 A557 F583 V586 S587 C601 V602I556-L598 HydrophobicContact CB-CD1 3.76Å; I556-L598 HydrophobicContact CD1-CD1 3.85Å; I556-L598 HydrophobicContact CG1-CD1 4.43Å; I556-L598 HydrophobicContact CG2-CD1 3.51Å; A557-L598 HydrophobicContact CB-CD2 4.41Å; F583-L598 HydrophobicContact CD2-CB 4.21Å; F583-L598 HydrophobicContact CD2-CD2 3.57Å; F583-L598 HydrophobicContact CD2-CG 3.98Å; F583-L598 HydrophobicContact CE2-CB 3.64Å; F583-L598 HydrophobicContact CE2-CD2 3.8Å; F583-L598 HydrophobicContact CE2-CG 3.64Å; F583-L598 HydrophobicContact CZ-CB 4.14Å; V586-L598 HydrophobicContact CB-CD2 4.35Å; V586-L598 HydrophobicContact CG1-CD2 4Å; S587-L598 WeakPolarHBondContact OG-CB 3.48Å; S587-L598 PolarHBondContact OG-N 3.19Å; L598-C601 HydrophobicContact CD1-CB 4.5Å; L598-C601 PolarHBondContact O-N 2.99Å; L598-V602 PolarHBondContact O-N 3.42Å; L598-V602 VanDerWaalsContact O-N 3.16Å
599G84Confident88.5Confident0 Ų09.4 Ų9.40%06%0.057CC..Hα-helixtrans-60.4-47.6171.500000113.3P597 C601 V602 C603P597-G599 PolarHBondContact O-N 3.48Å; P597-G599 VanDerWaalsContact O-N 3.13Å; G599-C601 VanDerWaalsContact C-N 3.34Å; G599-C601 PolarHBondContact O-N 2.66Å; G599-V602 PolarHBondContact O-N 2.72Å; G599-C603 WeakPolarHBondContact O-CB 3.47Å; G599-C603 PolarHBondContact O-N 3.32Å
600T86.6Confident88.3Confident10 Ų109 Ų96%0.0616%0.055CC..Hα-helixtrans-63.9-38.4176.6-60.90000111.5Q142 L596 P597 V602 C603 L604Q142-T600 HydrophobicContact CG-CG2 4.46Å; Q142-T600 WeakPolarHBondContact O-CG2 3.37Å; Q142-T600 PolarHBondContact O-OG1 2.86Å; L596-T600 HydrophobicContact CB-CG2 4.48Å; L596-T600 HydrophobicContact CD1-CG2 4.24Å; L596-T600 HydrophobicContact CD2-CG2 4.37Å; P597-T600 PolarHBondContact O-N 2.91Å; T600-V602 PolarHBondContact O-N 3.01Å; T600-C603 WeakPolarHBondContact O-CB 3.43Å; T600-C603 PolarHBondContact O-N 3.13Å; T600-L604 HydrophobicContact CG2-CD1 4.13Å; T600-L604 HydrophobicContact CG2-CG 4.41Å; T600-L604 WeakPolarHBondContact O-CG 3.44Å; T600-L604 PolarHBondContact O-N 3.44Å
601C90.1Very high88Confident0 Ų09.2 Ų9.20%06%0.056CC..Hα-helixtrans-57.5-50.3174.3-68.50000111.9N413 P597 L598 G599 C603 L604 I605N413-C601 WeakPolarHBondContact ND2-CA 3.39Å; N413-C601 PolarHBondContact ND2-SG 2.86Å; N413-C601 VanDerWaalsContact ND2-SG 3.45Å; P597-C601 PolarHBondContact O-N 2.85Å; L598-C601 HydrophobicContact CD1-CB 4.5Å; L598-C601 PolarHBondContact O-N 2.99Å; G599-C601 VanDerWaalsContact C-N 3.34Å; G599-C601 PolarHBondContact O-N 2.66Å; C601-C603 VanDerWaalsContact C-N 3.3Å; C601-C603 PolarHBondContact O-N 3.4Å; C601-L604 PolarHBondContact O-N 2.84Å; C601-I605 WeakPolarHBondContact O-CD1 3.07Å; C601-I605 WeakPolarHBondContact O-CG1 3.48Å; C601-I605 PolarHBondContact O-N 2.82Å
602V88.5Confident87.7Confident0 Ų05.8 Ų5.80%04%0.039CC..Hα-helixtrans-65.7-34.1177-176.90000111.9A549 I552 A553 I556 W565 L598 G599 T600 I605 L606A549-V602 HydrophobicContact CB-CG1 4.24Å; I552-V602 HydrophobicContact CB-CG1 4.03Å; I552-V602 HydrophobicContact CB-CG2 4.2Å; I552-V602 HydrophobicContact CD1-CG1 4.37Å; I552-V602 HydrophobicContact CG2-CG1 4.21Å; I552-V602 HydrophobicContact CG2-CG2 3.9Å; A553-V602 HydrophobicContact CB-CG2 4.04Å; I556-V602 HydrophobicContact CD1-CG2 4.28Å; W565-V602 HydrophobicContact CH2-CB 3.88Å; W565-V602 HydrophobicContact CH2-CG1 4.24Å; W565-V602 HydrophobicContact CH2-CG2 3.85Å; W565-V602 HydrophobicContact CZ3-CB 4.14Å; W565-V602 HydrophobicContact CZ3-CG1 3.99Å; W565-V602 HydrophobicContact CZ3-CG2 4.17Å; L598-V602 PolarHBondContact O-N 3.42Å; L598-V602 VanDerWaalsContact O-N 3.16Å; G599-V602 PolarHBondContact O-N 2.72Å; T600-V602 PolarHBondContact O-N 3.01Å; V602-I605 PolarHBondContact O-N 2.89Å; V602-L606 HydrophobicContact CG1-CD1 3.86Å; V602-L606 HydrophobicContact CG1-CG 4.1Å; V602-L606 WeakPolarHBondContact O-CB 3.4Å; V602-L606 WeakPolarHBondContact O-CG 3.5Å; V602-L606 PolarHBondContact O-N 3.13Å
603C85.9Confident87.3Confident5 Ų55.3 Ų5.33%0.0343%0.031CC..Hα-helixtrans-59.2-48.5173.6-165.70000111.9F573 G599 T600 C601 L606 N607 F615F573-C603 HydrophobicContact CD2-CB 3.95Å; F573-C603 HydrophobicContact CE2-CB 3.75Å; G599-C603 WeakPolarHBondContact O-CB 3.47Å; G599-C603 PolarHBondContact O-N 3.32Å; T600-C603 WeakPolarHBondContact O-CB 3.43Å; T600-C603 PolarHBondContact O-N 3.13Å; C601-C603 VanDerWaalsContact C-N 3.3Å; C601-C603 PolarHBondContact O-N 3.4Å; C603-L606 PolarHBondContact O-N 3.06Å; C603-N607 PolarHBondContact O-N 2.85Å; C603-N607 PolarHBondContact O-ND2 3.19Å; C603-F615 VanDerWaalsContact SG-CD2 3.57Å
604L91.2Very high87.2Confident6 Ų65 Ų53%0.0313%0.029CC..Hα-helixtrans-64.9-43.4177.5-71.6168.6000112I410 N413 L596 T600 C601 L606 G608I410-L604 HydrophobicContact CG1-CD1 4.48Å; N413-L604 HydrophobicContact CB-CB 3.69Å; N413-L604 HydrophobicContact CB-CD1 4.25Å; L596-L604 HydrophobicContact CD1-CD1 3.52Å; T600-L604 HydrophobicContact CG2-CD1 4.13Å; T600-L604 HydrophobicContact CG2-CG 4.41Å; T600-L604 WeakPolarHBondContact O-CG 3.44Å; T600-L604 PolarHBondContact O-N 3.44Å; C601-L604 PolarHBondContact O-N 2.84Å; L604-L606 VanDerWaalsContact C-N 3.28Å; L604-L606 PolarHBondContact O-N 3.22Å; L604-G608 VanDerWaalsContact O-CA 3.25Å; L604-G608 WeakPolarHBondContact O-CA 3.47Å; L604-G608 PolarHBondContact O-N 3.42Å
605I90.7Very high87Confident0 Ų04.9 Ų4.90%03%0.027CC..Hα-helixtrans-59.4-41.3176.9-65162.5000110.9N413 A416 H417 M420 F428 L432 L435 I552 I556 C601 V602N413-I605 HydrophobicContact CB-CG1 4.01Å; N413-I605 WeakPolarHBondContact OD1-CD1 3.44Å; N413-I605 WeakPolarHBondContact OD1-CG1 3.38Å; A416-I605 HydrophobicContact CB-CG1 4.03Å; A416-I605 HydrophobicContact CB-CG2 4.16Å; H417-I605 WeakPolarHBondContact CA-O 3.33Å; H417-I605 VanDerWaalsContact CB-O 3.32Å; H417-I605 WeakPolarHBondContact CB-O 3.32Å; H417-I605 PolarHBondContact ND1-O 2.96Å; M420-I605 WeakPolarHBondContact CE-O 3.27Å; F428-I605 HydrophobicContact CE2-CG2 3.76Å; F428-I605 HydrophobicContact CZ-CG2 4.26Å; L432-I605 HydrophobicContact CD2-CD1 3.8Å; L435-I605 HydrophobicContact CD1-CD1 3.95Å; I552-I605 HydrophobicContact CD1-CG2 4.01Å; I552-I605 HydrophobicContact CG2-CD1 3.77Å; I552-I605 HydrophobicContact CG2-CG2 4.35Å; I556-I605 HydrophobicContact CD1-CD1 3.71Å; C601-I605 WeakPolarHBondContact O-CD1 3.07Å; C601-I605 WeakPolarHBondContact O-CG1 3.48Å; C601-I605 PolarHBondContact O-N 2.82Å; V602-I605 PolarHBondContact O-N 2.89Å
606L85.6Confident86.5Confident0 Ų07.5 Ų7.50%04%0.041CC..Hα-helixtrans-83-35-175-69.4-171.9000114.7M420 Y546 A549 I552 Y569 V602 C603 L604M420-L606 HydrophobicContact CE-CD2 4.14Å; M420-L606 HydrophobicContact SD-CD2 4.09Å; Y546-L606 HydrophobicContact CE1-CD2 3.51Å; Y546-L606 PolarHBondContact OH-O 2.94Å; A549-L606 HydrophobicContact CB-CD1 4.18Å; I552-L606 HydrophobicContact CD1-CD1 4.23Å; I552-L606 HydrophobicContact CD1-CD2 3.21Å; I552-L606 HydrophobicContact CD1-CG 3.75Å; Y569-L606 HydrophobicContact CE2-CD1 3.76Å; V602-L606 HydrophobicContact CG1-CD1 3.86Å; V602-L606 HydrophobicContact CG1-CG 4.1Å; V602-L606 WeakPolarHBondContact O-CB 3.4Å; V602-L606 WeakPolarHBondContact O-CG 3.5Å; V602-L606 PolarHBondContact O-N 3.13Å; C603-L606 PolarHBondContact O-N 3.06Å; L604-L606 VanDerWaalsContact C-N 3.28Å; L604-L606 PolarHBondContact O-N 3.22Å
607N85.4Confident86.2Confident5 Ų57.7 Ų7.73%0.0274%0.042CC..Hα-helixtrans-116.3-11-170.5-46.3-82.9000113.7Y569 C603 V609 T618Y569-N607 PolarHBondContact OH-ND2 3.5Å; Y569-N607 PolarHBondContact OH-OD1 3.45Å; C603-N607 PolarHBondContact O-N 2.85Å; C603-N607 PolarHBondContact O-ND2 3.19Å; N607-V609 PolarHBondContact O-N 3.46Å; N607-T618 HydrophobicContact CB-CG2 4.21Å; N607-T618 VanDerWaalsContact OD1-CG2 3.32Å; N607-T618 WeakPolarHBondContact OD1-CG2 3.32Å
608G87.8Confident86.1Confident0 Ų08 Ų80%04%0.044CC..SBendtrans78.9-12.3-178.300000114.9L414 H417 L604L414-G608 VanDerWaalsContact CD2-O 3.27Å; L414-G608 WeakPolarHBondContact CD2-O 3.47Å; H417-G608 PolarHBondContact CE1-N 3.28Å; H417-G608 PolarHBondContact ND1-N 3.35Å; L604-G608 VanDerWaalsContact O-CA 3.25Å; L604-G608 WeakPolarHBondContact O-CA 3.47Å; L604-G608 PolarHBondContact O-N 3.42Å
609V87.8Confident85.7Confident0 Ų011.7 Ų11.70%06%0.058CC..  trans-142.8167.3-176.7-65.10000112.6E377 L381 N607 W611 L614E377-V609 HydrophobicContact CG-CG1 3.9Å; E377-V609 WeakPolarHBondContact OE1-CA 3.35Å; E377-V609 WeakPolarHBondContact OE1-CG1 3.35Å; L381-V609 HydrophobicContact CD1-CG1 3.3Å; L381-V609 HydrophobicContact CD2-CG1 3.91Å; L381-V609 HydrophobicContact CG-CG1 4.06Å; N607-V609 PolarHBondContact O-N 3.46Å; V609-W611 HydrophobicContact CB-CB 4.43Å; V609-W611 HydrophobicContact CB-CD2 4.06Å; V609-W611 HydrophobicContact CB-CG 3.89Å; V609-W611 HydrophobicContact CG1-CD2 3.81Å; V609-W611 HydrophobicContact CG1-CE3 4.29Å; V609-W611 HydrophobicContact CG1-CG 4.18Å; V609-W611 HydrophobicContact CG1-CH2 4.37Å; V609-W611 HydrophobicContact CG1-CZ2 3.88Å; V609-W611 HydrophobicContact CG2-CB 4.32Å; V609-W611 HydrophobicContact CG2-CD2 4.46Å; V609-W611 HydrophobicContact CG2-CG 4.25Å; V609-L614 HydrophobicContact CG1-CD2 4.06Å; V609-L614 HydrophobicContact CG2-CB 4.06Å; V609-L614 HydrophobicContact CG2-CD2 3.92Å; V609-L614 HydrophobicContact CG2-CG 3.97Å
610S83.1Confident85.5Confident24 Ų2412.7 Ų12.717%0.1686%0.064CC..  trans-91.4-14.6159.863.20000114.3
611W86.6Confident85.3Confident4 Ų412.3 Ų12.32%0.0156%0.061CC..  trans-60.3124.7-163.1-39.4-18.4000112.6C246 I247 E377 L378 L381 V609 W613 L614 F615 F907C246-W611 HydrophobicContact CB-CD2 4Å; C246-W611 HydrophobicContact CB-CE3 4.37Å; C246-W611 HydrophobicContact CB-CH2 4.04Å; C246-W611 HydrophobicContact CB-CZ2 3.65Å; C246-W611 HydrophobicContact CB-CZ3 4.38Å; C246-W611 VanDerWaalsContact O-CE3 3.28Å; C246-W611 VanDerWaalsContact SG-CZ2 3.6Å; I247-W611 HydrophobicContact CD1-CG 4.31Å; E377-W611 HydrophobicContact CG-CZ2 4.32Å; E377-W611 PolarHBondContact OE1-NE1 2.94Å; E377-W611 WeakPolarHBondContact OE2-CZ2 3.33Å; E377-W611 PolarHBondContact OE2-NE1 3.43Å; L378-W611 HydrophobicContact CD2-CH2 3.63Å; L378-W611 HydrophobicContact CD2-CZ2 3.94Å; L381-W611 HydrophobicContact CD1-CH2 3.77Å; L381-W611 HydrophobicContact CD1-CZ2 4.04Å; L381-W611 HydrophobicContact CD1-CZ3 4.35Å; V609-W611 HydrophobicContact CB-CB 4.43Å; V609-W611 HydrophobicContact CB-CD2 4.06Å; V609-W611 HydrophobicContact CB-CG 3.89Å; V609-W611 HydrophobicContact CG1-CD2 3.81Å; V609-W611 HydrophobicContact CG1-CE3 4.29Å; V609-W611 HydrophobicContact CG1-CG 4.18Å; V609-W611 HydrophobicContact CG1-CH2 4.37Å; V609-W611 HydrophobicContact CG1-CZ2 3.88Å; V609-W611 HydrophobicContact CG2-CB 4.32Å; V609-W611 HydrophobicContact CG2-CD2 4.46Å; V609-W611 HydrophobicContact CG2-CG 4.25Å; W611-W613 AromaticContact CE3-CE2 3.96Å; W611-W613 AromaticContact CE3-CZ2 3.73Å; W611-W613 HydrophobicContact CE3-CZ2 3.73Å; W611-W613 AromaticContact CE3-NE1 3.84Å; W611-W613 AromaticContact CZ3-CZ2 3.86Å; W611-W613 HydrophobicContact CZ3-CZ2 3.86Å; W611-W613 PolarHBondContact O-N 3.12Å; W611-L614 HydrophobicContact CB-CB 4.39Å; W611-L614 HydrophobicContact CD2-CD2 4.45Å; W611-L614 HydrophobicContact CE3-CB 4.11Å; W611-L614 HydrophobicContact CE3-CD2 3.61Å; W611-L614 HydrophobicContact CZ3-CD2 3.67Å; W611-L614 PolarHBondContact O-N 3.08Å; W611-F615 WeakPolarHBondContact O-CB 3.44Å; W611-F615 PolarHBondContact O-N 2.66Å; W611-F907 HydrophobicContact CH2-CD1 4.06Å; W611-F907 AromaticContact CH2-CE1 3.67Å; W611-F907 HydrophobicContact CH2-CE1 3.67Å; W611-F907 HydrophobicContact CH2-CZ 4.02Å; W611-F907 AromaticContact CZ3-CD1 3.74Å; W611-F907 HydrophobicContact CZ3-CD1 3.74Å; W611-F907 AromaticContact CZ3-CE1 3.74Å; W611-F907 HydrophobicContact CZ3-CE1 3.74Å; W611-F907 HydrophobicContact CZ3-CG 4.48Å
612P82.1Confident84.7Confident12 Ų1215 Ų158%0.0787%0.072CC..Hα-helixtrans-60.1-36.5-170-29.236000115.7Y147 N616Y147-P612 HydrophobicContact CD2-CB 4.37Å; P612-N616 WeakPolarHBondContact O-CB 3.18Å; P612-N616 PolarHBondContact O-N 3.37Å; P612-N616 VanDerWaalsContact O-N 3.15Å; P612-N616 PolarHBondContact O-ND2 3.47Å
613W82.9Confident84.1Confident27 Ų2717.1 Ų17.110%0.1028%0.083CC..Hα-helixtrans-70.4-42.8179.170.6-89.4000111.7C246 W611 N616 L617 Q903 L904C246-W613 PolarHBondContact O-NE1 3.23Å; W611-W613 AromaticContact CE3-CE2 3.96Å; W611-W613 AromaticContact CE3-CZ2 3.73Å; W611-W613 HydrophobicContact CE3-CZ2 3.73Å; W611-W613 AromaticContact CE3-NE1 3.84Å; W611-W613 AromaticContact CZ3-CZ2 3.86Å; W611-W613 HydrophobicContact CZ3-CZ2 3.86Å; W611-W613 PolarHBondContact O-N 3.12Å; W613-N616 WeakPolarHBondContact O-CB 3.19Å; W613-N616 PolarHBondContact O-N 3.14Å; W613-L617 HydrophobicContact CZ3-CD1 4.41Å; W613-L617 WeakPolarHBondContact O-CB 3.38Å; W613-L617 PolarHBondContact O-N 3.25Å; W613-Q903 HydrophobicContact CE3-CB 4.15Å; W613-Q903 HydrophobicContact CZ3-CB 4.1Å; W613-L904 HydrophobicContact CH2-CD2 4.49Å; W613-L904 HydrophobicContact CZ3-CD2 4.28Å
614L87.3Confident83.6Confident0 Ų019.3 Ų19.30%09%0.093CC..Hα-helixtrans-76.7-31-178-172.855.5000112.2L381 V609 W611 L617 T618 L904 F907 V909 L912L381-L614 HydrophobicContact CD1-CD2 4.24Å; L381-L614 HydrophobicContact CD2-CD2 4.4Å; V609-L614 HydrophobicContact CG1-CD2 4.06Å; V609-L614 HydrophobicContact CG2-CB 4.06Å; V609-L614 HydrophobicContact CG2-CD2 3.92Å; V609-L614 HydrophobicContact CG2-CG 3.97Å; W611-L614 HydrophobicContact CB-CB 4.39Å; W611-L614 HydrophobicContact CD2-CD2 4.45Å; W611-L614 HydrophobicContact CE3-CB 4.11Å; W611-L614 HydrophobicContact CE3-CD2 3.61Å; W611-L614 HydrophobicContact CZ3-CD2 3.67Å; W611-L614 PolarHBondContact O-N 3.08Å; L614-L617 PolarHBondContact O-N 2.77Å; L614-T618 VanDerWaalsContact O-CB 3.29Å; L614-T618 WeakPolarHBondContact O-CB 3.12Å; L614-T618 PolarHBondContact O-N 3.27Å; L614-T618 PolarHBondContact O-OG1 2.99Å; L614-L904 HydrophobicContact CD1-CD2 4.12Å; L614-F907 HydrophobicContact CD2-CE1 4.5Å; L614-V909 HydrophobicContact CD1-CG2 4.27Å; L614-V909 HydrophobicContact CD2-CG2 4.16Å; L614-L912 HydrophobicContact CD1-CD1 3.56Å
615F84.3Confident82.9Confident2 Ų219 Ų191%0.0099%0.091CC..Hα-helixtrans-58.2-48.3165.2173.9-96.4000111.2Y569 C603 W611 T618 R619Y569-F615 HydrophobicContact CE1-CE2 4.25Å; Y569-F615 HydrophobicContact CE1-CZ 4.22Å; Y569-F615 AromaticContact CZ-CE2 3.92Å; C603-F615 VanDerWaalsContact SG-CD2 3.57Å; W611-F615 WeakPolarHBondContact O-CB 3.44Å; W611-F615 PolarHBondContact O-N 2.66Å; F615-T618 PolarHBondContact O-N 3.44Å; F615-R619 WeakPolarHBondContact O-CB 3.32Å; F615-R619 PolarHBondContact O-N 2.86Å
616N81.4Confident82Confident54 Ų5420.9 Ų20.929%0.28910%0.101SC..Hα-helixtrans-60.7-46.9176.6-86.8-64.2000112.1P612 W613 R619 V620P612-N616 WeakPolarHBondContact O-CB 3.18Å; P612-N616 PolarHBondContact O-N 3.37Å; P612-N616 VanDerWaalsContact O-N 3.15Å; P612-N616 PolarHBondContact O-ND2 3.47Å; W613-N616 WeakPolarHBondContact O-CB 3.19Å; W613-N616 PolarHBondContact O-N 3.14Å; N616-R619 WeakPolarHBondContact O-CB 3.17Å; N616-R619 PolarHBondContact O-N 3.46Å; N616-R619 PolarHBondContact OD1-NH2 2.91Å; N616-V620 WeakPolarHBondContact O-CG2 3.47Å; N616-V620 PolarHBondContact O-N 2.99Å
617L84.9Confident80.7Confident7 Ų723.7 Ų23.74%0.03712%0.12CC..Hα-helixtrans-63.4-44.2179.3-166.1154.3000111.9W613 L614 R619 V620 V621 A900 L904 L912 I916W613-L617 HydrophobicContact CZ3-CD1 4.41Å; W613-L617 WeakPolarHBondContact O-CB 3.38Å; W613-L617 PolarHBondContact O-N 3.25Å; L614-L617 PolarHBondContact O-N 2.77Å; L617-R619 VanDerWaalsContact C-N 3.27Å; L617-R619 PolarHBondContact O-N 2.84Å; L617-V620 PolarHBondContact O-N 3.42Å; L617-V620 VanDerWaalsContact O-N 3.09Å; L617-V621 HydrophobicContact CD2-CG2 3.99Å; L617-V621 PolarHBondContact O-N 3.24Å; L617-A900 HydrophobicContact CD1-CB 3.75Å; L617-A900 WeakPolarHBondContact CD1-O 3.32Å; L617-A900 HydrophobicContact CG-CB 4.05Å; L617-L904 HydrophobicContact CD1-CD1 4.06Å; L617-L904 HydrophobicContact CD1-CD2 4.25Å; L617-L904 HydrophobicContact CD1-CG 3.72Å; L617-L904 HydrophobicContact CD2-CD1 3.83Å; L617-L904 HydrophobicContact CD2-CD2 4.41Å; L617-L904 HydrophobicContact CD2-CG 4.24Å; L617-L912 HydrophobicContact CD2-CB 3.95Å; L617-L912 HydrophobicContact CD2-CD1 3.85Å; L617-L912 HydrophobicContact CD2-CG 4.39Å; L617-I916 HydrophobicContact CD2-CD1 4.04Å
618T84.9Confident79Confident11 Ų1127 Ų277%0.06714%0.143CC..Hα-helixtrans-57.8-41.6174.3-58.20000111.2N607 L614 F615 R622 L912N607-T618 HydrophobicContact CB-CG2 4.21Å; N607-T618 VanDerWaalsContact OD1-CG2 3.32Å; N607-T618 WeakPolarHBondContact OD1-CG2 3.32Å; L614-T618 VanDerWaalsContact O-CB 3.29Å; L614-T618 WeakPolarHBondContact O-CB 3.12Å; L614-T618 PolarHBondContact O-N 3.27Å; L614-T618 PolarHBondContact O-OG1 2.99Å; F615-T618 PolarHBondContact O-N 3.44Å; T618-R622 WeakPolarHBondContact O-CB 3.41Å; T618-R622 PolarHBondContact O-N 2.95Å; T618-L912 HydrophobicContact CG2-CD2 4.24Å; T618-L912 WeakPolarHBondContact OG1-CD1 3.32Å
619R79.4Confident76.9Confident78 Ų7828.8 Ų28.829%0.29416%0.155SC..Hα-helixtrans-62.6-40.9174.3-175.5177.262.2153.3-0.2112.1N570 F615 N616 L617 N623N570-R619 PolarHBondContact O-NH1 3.45Å; F615-R619 WeakPolarHBondContact O-CB 3.32Å; F615-R619 PolarHBondContact O-N 2.86Å; N616-R619 WeakPolarHBondContact O-CB 3.17Å; N616-R619 PolarHBondContact O-N 3.46Å; N616-R619 PolarHBondContact OD1-NH2 2.91Å; L617-R619 VanDerWaalsContact C-N 3.27Å; L617-R619 PolarHBondContact O-N 2.84Å; R619-N623 WeakPolarHBondContact CG-ND2 3.27Å; R619-N623 WeakPolarHBondContact O-CB 3.25Å; R619-N623 VanDerWaalsContact O-CG 3.24Å; R619-N623 PolarHBondContact O-N 3.29Å
620V80.2Confident74.7Confident21 Ų2133.7 Ų33.713%0.12718%0.177CC..Hα-helixtrans-62.3-54.9174.7179.60000110.9N616 L617 R622 N623 E624 R896 L897N616-V620 WeakPolarHBondContact O-CG2 3.47Å; N616-V620 PolarHBondContact O-N 2.99Å; L617-V620 PolarHBondContact O-N 3.42Å; L617-V620 VanDerWaalsContact O-N 3.09Å; V620-R622 PolarHBondContact O-N 3.15Å; V620-N623 PolarHBondContact O-N 3.41Å; V620-E624 VanDerWaalsContact O-CB 3.29Å; V620-E624 WeakPolarHBondContact O-CB 3.12Å; V620-E624 PolarHBondContact O-N 3.07Å; V620-R896 VanDerWaalsContact CG2-NH2 3.28Å; V620-L897 HydrophobicContact CG1-CD2 4.38Å
621V82.5Confident73.1Confident2 Ų233.4 Ų33.41%0.01217%0.173CC..Iπ-helixtrans-57.6-50.6-178.7176.20000110.9L617 N623 L625 L626 L912 P915 I916L617-V621 HydrophobicContact CD2-CG2 3.99Å; L617-V621 PolarHBondContact O-N 3.24Å; V621-N623 PolarHBondContact O-N 3.45Å; V621-L625 HydrophobicContact CG1-CD1 4.45Å; V621-L625 HydrophobicContact CG2-CD1 4.38Å; V621-L625 WeakPolarHBondContact O-CB 3.27Å; V621-L625 PolarHBondContact O-N 2.9Å; V621-L625 VanDerWaalsContact O-N 3.15Å; V621-L626 HydrophobicContact CG1-CD1 4.25Å; V621-L626 HydrophobicContact CG1-CG 4.28Å; V621-L626 PolarHBondContact O-N 3.03Å; V621-L912 HydrophobicContact CB-CD2 4.08Å; V621-L912 HydrophobicContact CG1-CD2 4.18Å; V621-L912 HydrophobicContact CG2-CB 4.44Å; V621-L912 HydrophobicContact CG2-CD2 4.24Å; V621-P915 HydrophobicContact CG1-CB 4.32Å; V621-P915 HydrophobicContact CG1-CG 3.52Å; V621-I916 HydrophobicContact CG2-CD1 3.75Å; V621-I916 HydrophobicContact CG2-CG1 3.9Å
622R76.9Confident71Confident56 Ų5634.9 Ų34.921%0.21118%0.181CC..Iπ-helixtrans-63.4-38.8-179.3178.8179.8164.6-160.3-5.2113.2Y546 T618 V620Y546-R622 VanDerWaalsContact CE1-NH1 3.35Å; T618-R622 WeakPolarHBondContact O-CB 3.41Å; T618-R622 PolarHBondContact O-N 2.95Å; V620-R622 PolarHBondContact O-N 3.15Å
623N75Confident69.2Low46 Ų4635.9 Ų35.925%0.24619%0.188CC..Iπ-helixtrans-93.8-16.9-171.9-67.4-6.3000114R619 V620 V621 K1023R619-N623 WeakPolarHBondContact CG-ND2 3.27Å; R619-N623 WeakPolarHBondContact O-CB 3.25Å; R619-N623 VanDerWaalsContact O-CG 3.24Å; R619-N623 PolarHBondContact O-N 3.29Å; V620-N623 PolarHBondContact O-N 3.41Å; V621-N623 PolarHBondContact O-N 3.45Å; N623-K1023 WeakPolarHBondContact O-CD 3.47Å; N623-K1023 WeakPolarHBondContact O-CE 3.48Å; N623-K1023 PolarHBondContact O-NZ 2.91Å
624E76.4Confident67.4Low50 Ų5034.9 Ų34.923%0.23419%0.185CC..Iπ-helixtrans-125.8-27.5-169.1-55.9177.8-148.300113.7V620 R896V620-E624 VanDerWaalsContact O-CB 3.29Å; V620-E624 WeakPolarHBondContact O-CB 3.12Å; V620-E624 PolarHBondContact O-N 3.07Å; E624-R896 VanDerWaalsContact CD-NH1 3.32Å; E624-R896 IonicContact OE1-CZ 3.45Å; E624-R896 IonicContact OE1-NH1 2.75Å; E624-R896 PolarHBondContact OE1-NH1 3.09Å; E624-R896 IonicContact OE1-NH2 2.71Å; E624-R896 PolarHBondContact OE1-NH2 2.92Å; E624-R896 IonicContact OE2-CZ 3.28Å; E624-R896 IonicContact OE2-NH1 2.63Å; E624-R896 PolarHBondContact OE2-NH1 3.25Å; E624-R896 IonicContact OE2-NH2 3.13Å
625L77.1Confident65.4Low0 Ų036.2 Ų36.20%019%0.192CC..Iπ-helixtrans-100.9-34.9175.8-72.1171.4000113.6V621 M893 L897 P915 I916 W919 L1020 S1021V621-L625 HydrophobicContact CG1-CD1 4.45Å; V621-L625 HydrophobicContact CG2-CD1 4.38Å; V621-L625 WeakPolarHBondContact O-CB 3.27Å; V621-L625 PolarHBondContact O-N 2.9Å; V621-L625 VanDerWaalsContact O-N 3.15Å; L625-M893 HydrophobicContact CD2-CE 3.57Å; L625-M893 HydrophobicContact CG-CE 4.15Å; L625-L897 HydrophobicContact CD1-CD1 4.33Å; L625-L897 HydrophobicContact CD1-CD2 3.88Å; L625-L897 HydrophobicContact CD2-CD1 4.03Å; L625-L897 HydrophobicContact CG-CD2 4.47Å; L625-P915 HydrophobicContact CD1-CB 4.3Å; L625-I916 HydrophobicContact CD1-CG1 4.01Å; L625-W919 HydrophobicContact CD2-CB 3.73Å; L625-W919 HydrophobicContact CD2-CD2 4.45Å; L625-W919 HydrophobicContact CD2-CG 3.55Å; L625-L1020 HydrophobicContact CB-CD2 4.15Å; L625-L1020 HydrophobicContact CD2-CD2 4.1Å; L625-L1020 CarbonylContact O-C 3.58Å; L625-S1021 PolarHBondContact O-N 2.81Å; L625-S1021 PolarHBondContact O-OG 2.81Å
626L71.5Confident63.6Low39 Ų3944.2 Ų44.220%0.20422%0.223CC..  trans-97.5130.7-172.4-57.9-177.1000112.7V621 S628 P915 E1019V621-L626 HydrophobicContact CG1-CD1 4.25Å; V621-L626 HydrophobicContact CG1-CG 4.28Å; V621-L626 PolarHBondContact O-N 3.03Å; L626-S628 VanDerWaalsContact C-N 3.31Å; L626-S628 PolarHBondContact O-N 2.85Å; L626-S628 VanDerWaalsContact O-N 3.12Å; L626-P915 HydrophobicContact CD2-CB 4.22Å; L626-E1019 HydrophobicContact CD2-CB 4.22Å; L626-E1019 VanDerWaalsContact CD2-O 3.23Å; L626-E1019 WeakPolarHBondContact CD2-O 3.36Å
627P57.5Low61.4Low60 Ų6044.6 Ų44.639%0.3923%0.234SC..  trans-73.4-4.9-165.515.2-23.1000117.7E1019 S1021P627-E1019 WeakPolarHBondContact CD-O 3.43Å; P627-S1021 WeakPolarHBondContact CA-OG 3.42Å; P627-S1021 VanDerWaalsContact CB-CB 3.48Å; P627-S1021 WeakPolarHBondContact CB-OG 3.39Å; P627-S1021 VanDerWaalsContact CD-OG 3.3Å; P627-S1021 WeakPolarHBondContact CD-OG 3.2Å
628S49.9Very low58.7Low75 Ų7549.4 Ų49.452%0.52426%0.264SS..SBendtrans65.7150.4-141.189.50000111.8L626L626-S628 VanDerWaalsContact C-N 3.31Å; L626-S628 PolarHBondContact O-N 2.85Å; L626-S628 VanDerWaalsContact O-N 3.12Å
629P44.4Very low56Low37 Ų3753 Ų5324%0.2429%0.287CS..  -133.4144.9-90.429.7-11.7000116.2A545 F631A545-P629 HydrophobicContact CB-CG 3.7Å; P629-F631 HydrophobicContact CB-CB 4.37Å; P629-F631 HydrophobicContact CB-CD2 3.96Å; P629-F631 PolarHBondContact O-N 3.2Å
630H41.5Very low53.6Low103 Ų10353 Ų5348%0.47730%0.299SS..SBendtrans-81.930.9162.8-61.7-87.3000113.3Q423Q423-H630 PolarHBondContact NE2-O 3.02Å
631F48.5Very low51.2Low17 Ų1755.7 Ų55.78%0.07532%0.323CS..SBendtrans-100.9157.3169-68.5-77.9000109F421 Y546 P629 R1324F421-F631 AromaticContact CD1-CE1 3.68Å; F421-F631 HydrophobicContact CD1-CE1 3.68Å; F421-F631 HydrophobicContact CD1-CZ 4.01Å; F421-F631 AromaticContact CE1-CE1 3.76Å; F421-F631 HydrophobicContact CE1-CE1 3.76Å; F421-F631 AromaticContact CE1-CZ 3.6Å; F421-F631 HydrophobicContact CE1-CZ 3.6Å; F421-F631 HydrophobicContact CG-CE1 4.16Å; F421-F631 HydrophobicContact CZ-CE1 4.29Å; F421-F631 HydrophobicContact CZ-CZ 4.05Å; Y546-F631 AromaticContact CD2-CD2 3.5Å; Y546-F631 HydrophobicContact CD2-CD2 3.5Å; Y546-F631 VanDerWaalsContact CD2-CD2 3.5Å; Y546-F631 AromaticContact CD2-CE2 3.68Å; Y546-F631 HydrophobicContact CD2-CE2 3.68Å; Y546-F631 HydrophobicContact CD2-CG 4.2Å; Y546-F631 HydrophobicContact CE2-CD2 4.04Å; Y546-F631 AromaticContact CE2-CE2 3.81Å; Y546-F631 HydrophobicContact CE2-CE2 3.81Å; Y546-F631 HydrophobicContact CE2-CZ 4.27Å; P629-F631 HydrophobicContact CB-CB 4.37Å; P629-F631 HydrophobicContact CB-CD2 3.96Å; P629-F631 PolarHBondContact O-N 3.2Å; F631-R1324 HydrophobicContact CE1-CG 4.46Å; F631-R1324 VanDerWaalsContact CZ-NH1 3.29Å
632L43.2Very low48.6Very low35 Ų3562.1 Ų62.118%0.18335%0.353CS..  trans-63.7138171.3-78.3170.2000109.7Q423 Q425 A634Q423-L632 VanDerWaalsContact C-CD1 3.5Å; Q423-L632 HydrophobicContact CB-CD1 3.82Å; Q423-L632 HydrophobicContact CB-CG 4.15Å; Q423-L632 HydrophobicContact CG-CG 4.42Å; Q423-L632 VanDerWaalsContact O-CD1 3.26Å; Q423-L632 WeakPolarHBondContact O-CD1 3.21Å; Q425-L632 HydrophobicContact CB-CD1 4.03Å; L632-A634 HydrophobicContact CB-CB 4.38Å; L632-A634 PolarHBondContact O-N 3.38Å
633P44.1Very low46.3Very low34 Ų3464 Ų6422%0.22137%0.37CS..  trans-6968.8162.431.2-35.2000109.4A545 L635 Y636A545-P633 HydrophobicContact CB-CB 4.1Å; P633-L635 PolarHBondContact O-N 2.92Å; P633-Y636 HydrophobicContact CB-CE1 4.17Å; P633-Y636 HydrophobicContact CB-CE2 4.2Å; P633-Y636 HydrophobicContact CG-CE1 4.12Å; P633-Y636 HydrophobicContact CG-CE2 3.78Å; P633-Y636 VanDerWaalsContact CG-CZ 3.46Å; P633-Y636 VanDerWaalsContact CG-OH 3.25Å; P633-Y636 WeakPolarHBondContact CG-OH 3.47Å; P633-Y636 WeakPolarHBondContact O-CD2 3.22Å; P633-Y636 WeakPolarHBondContact O-CE2 3.35Å
634A44.2Very low44Very low5 Ų570.9 Ų70.94%0.04140%0.398CS..  trans-71.4-2.4-168.100000114.2Q425 F428 L632Q425-A634 HydrophobicContact CG-CB 4.49Å; F428-A634 HydrophobicContact CD1-CB 3.68Å; F428-A634 HydrophobicContact CE1-CB 3.9Å; L632-A634 HydrophobicContact CB-CB 4.38Å; L632-A634 PolarHBondContact O-N 3.38Å
635L46.5Very low41.6Very low29 Ų2971.7 Ų71.715%0.15242%0.42CS..SBendtrans-140.475.4178.2-69.4176.2000110.5F428 L432 P547 Q551 I552 A555 P633 A637F428-L635 HydrophobicContact CE1-CD1 4.18Å; F428-L635 HydrophobicContact CE1-CG 4.11Å; L432-L635 HydrophobicContact CD1-CD1 4.02Å; L432-L635 HydrophobicContact CD1-CD2 3.96Å; L432-L635 HydrophobicContact CD1-CG 4.43Å; P547-L635 HydrophobicContact CB-CD1 4.09Å; Q551-L635 HydrophobicContact CB-CB 4.14Å; Q551-L635 HydrophobicContact CB-CD1 3.91Å; Q551-L635 PolarHBondContact NE2-O 3.09Å; I552-L635 HydrophobicContact CB-CD1 4.35Å; I552-L635 HydrophobicContact CG1-CD1 3.73Å; A555-L635 HydrophobicContact CB-CD1 4.12Å; A555-L635 HydrophobicContact CB-CD2 3.81Å; P633-L635 PolarHBondContact O-N 2.92Å; L635-A637 PolarHBondContact O-N 3.41Å; L635-A637 VanDerWaalsContact O-N 3.15Å
636Y45Very low39.2Very low169 Ų16975.1 Ų75.166%0.66345%0.448SS*.  trans-65.7109171.4-76.6-78.5000111.2P633P633-Y636 HydrophobicContact CB-CE1 4.17Å; P633-Y636 HydrophobicContact CB-CE2 4.2Å; P633-Y636 HydrophobicContact CG-CE1 4.12Å; P633-Y636 HydrophobicContact CG-CE2 3.78Å; P633-Y636 VanDerWaalsContact CG-CZ 3.46Å; P633-Y636 VanDerWaalsContact CG-OH 3.25Å; P633-Y636 WeakPolarHBondContact CG-OH 3.47Å; P633-Y636 WeakPolarHBondContact O-CD2 3.22Å; P633-Y636 WeakPolarHBondContact O-CE2 3.35Å
637A36Very low37Very low63 Ų6378.8 Ų78.852%0.52147%0.472SS..  trans-86.7109.4161.900000108.7L635 P639L635-A637 PolarHBondContact O-N 3.41Å; L635-A637 VanDerWaalsContact O-N 3.15Å; A637-P639 VanDerWaalsContact O-CD 3.29Å; A637-P639 WeakPolarHBondContact O-CD 3.28Å
638V27.7Very low35.5Very low108 Ų10886 Ų8666%0.65550%0.497SS*.  trans-64.9122.4176.9179.60000109.5S640V638-S640 PolarHBondContact O-N 2.86Å
639P27.9Very low34.3Very low86 Ų8686.9 Ų86.956%0.55850%0.503SS*.  trans-70.196.3-177.8-21.935.2000112.5A637 A641A637-P639 VanDerWaalsContact O-CD 3.29Å; A637-P639 WeakPolarHBondContact O-CD 3.28Å; P639-A641 PolarHBondContact O-N 3.4Å
640S29.7Very low33.4Very low78 Ų7896.4 Ų96.455%0.54554%0.535SS..THydrogen-bonded Turntrans-65.5-7.5-177.360.10000115.3V638V638-S640 PolarHBondContact O-N 2.86Å
641A29.1Very low32.6Very low77 Ų7798.2 Ų98.264%0.63655%0.548SS*.THydrogen-bonded Turntrans-67.2-49.2179.500000113P639 V643 K644P639-A641 PolarHBondContact O-N 3.4Å; A641-V643 VanDerWaalsContact C-N 3.31Å; A641-V643 PolarHBondContact O-N 3.37Å; A641-K644 PolarHBondContact O-N 3.2Å
642H27.8Very low31.5Very low137 Ų137106.4 Ų106.463%0.63459%0.586SS**THydrogen-bonded Turntrans-72.7-19.8-172.2-79-59.4000114.4N538 K644 G645N538-H642 PolarHBondContact ND2-NE2 2.96Å; H642-K644 VanDerWaalsContact C-N 3.33Å; H642-K644 PolarHBondContact O-N 2.96Å; H642-G645 PolarHBondContact O-N 2.97Å
643V29.3Very low30.6Very low95 Ų95108.4 Ų108.458%0.57661%0.614SS**Hα-helixtrans-68.7-31.8175.5-176.90000111.5A641 G645 V647A641-V643 VanDerWaalsContact C-N 3.31Å; A641-V643 PolarHBondContact O-N 3.37Å; V643-G645 VanDerWaalsContact C-N 3.29Å; V643-G645 PolarHBondContact O-N 3.46Å; V643-V647 HydrophobicContact CG1-CG2 4.48Å; V643-V647 VanDerWaalsContact O-CG2 3.31Å; V643-V647 WeakPolarHBondContact O-CG2 3.26Å
644K26Very low30Very low192 Ų192115.5 Ų115.584%0.83565%0.645SS**Hα-helixtrans-74.5-14.4-179.9-72.1-169.7174.5-175.40114.4A641 H642A641-K644 PolarHBondContact O-N 3.2Å; H642-K644 VanDerWaalsContact C-N 3.33Å; H642-K644 PolarHBondContact O-N 2.96Å
645G26.4Very low29.3Very low67 Ų67120.3 Ų120.369%0.69168%0.676SS**Hα-helixtrans-81.5-34.4176.800000114.4H642 V643H642-G645 PolarHBondContact O-N 2.97Å; V643-G645 VanDerWaalsContact C-N 3.29Å; V643-G645 PolarHBondContact O-N 3.46Å
646A27.4Very low28.8Very low72 Ų72124.3 Ų124.360%0.59570%0.697SS**Hα-helixtrans-87.8-17.9-169.500000114.9K648A646-K648 PolarHBondContact O-N 2.96Å; A646-K648 VanDerWaalsContact O-N 3.1Å
647V25.9Very low28.2Very low116 Ų116124 Ų12470%0.70370%0.699SS**THydrogen-bonded Turntrans-81.212.1-166.4176.60000114V643V643-V647 HydrophobicContact CG1-CG2 4.48Å; V643-V647 VanDerWaalsContact O-CG2 3.31Å; V643-V647 WeakPolarHBondContact O-CG2 3.26Å
648K24.9Very low28.2Very low212 Ų212126.3 Ų126.392%0.92270%0.703SS**THydrogen-bonded Turntrans-94.49.5174.4-87.3-164.4173.2-172.50115.4A646A646-K648 PolarHBondContact O-N 2.96Å; A646-K648 VanDerWaalsContact O-N 3.1Å
649S25.3Very low28.5Very low93 Ų93126.8 Ų126.865%0.6570%0.696SS**SBendtrans-147.3150.2167.266.50000113.8
650R24.2Very low28.7Very low237 Ų237126.8 Ų126.889%0.89469%0.691SS**  trans77.781.3172.9-58.6-171.6175.7-170.6-2117.9
651N24.8Very low28.9Very low140 Ų140127.8 Ų127.875%0.74969%0.69SS**  trans-19.2147.1146.4-56.1-1.1000118.2
652H25.3Very low29.1Very low190 Ų190129.3 Ų129.388%0.8869%0.687SS**  trans52.5119.7152.3-59.9-59.1000120.5
653G25.8Very low29.3Very low76 Ų76127.4 Ų127.478%0.78468%0.678SS**  trans126.153.2133.700000120.1
654E30.1Very low29.4Very low184 Ų184124.8 Ų124.886%0.8667%0.666SS**  trans-179.6156.6137.6-103.3-167.9168.200111.9N656E654-N656 PolarHBondContact O-N 3.26Å
655P30.4Very low29.5Very low106 Ų106122.2 Ų122.269%0.68866%0.655SS**  trans-73.7116.3179.729.8-32.8000111.4K657P655-K657 PolarHBondContact O-N 2.88Å
656N35.3Very low29.8Very low113 Ų113121.7 Ų121.760%0.60464%0.641SS**  trans-89.993.9-166.1-151.7-35.3000110.7E654 N658 K659E654-N656 PolarHBondContact O-N 3.26Å; N656-N658 PolarHBondContact O-N 2.91Å; N656-K659 WeakPolarHBondContact O-CA 3.47Å; N656-K659 WeakPolarHBondContact O-CB 3.47Å; N656-K659 PolarHBondContact O-N 3.15Å
657K34Very low29.9Very low162 Ų162121.7 Ų121.770%0.70464%0.637SS**Hα-helixtrans-48.8-24-174.2-67.7179.4178.1175.30116.2P655 D660 L661P655-K657 PolarHBondContact O-N 2.88Å; K657-D660 WeakPolarHBondContact CA-OD2 3.23Å; K657-L661 WeakPolarHBondContact O-CG 3.45Å; K657-L661 PolarHBondContact O-N 3.15Å
658N34.8Very low29.9Very low112 Ų112123.2 Ų123.260%0.59964%0.64SS**Hα-helixtrans-72.9-29.5174.5-70.3-22.4000113N656 I662N656-N658 PolarHBondContact O-N 2.91Å; N658-I662 WeakPolarHBondContact O-CG1 3.45Å; N658-I662 PolarHBondContact O-N 2.79Å
659K34Very low29.9Very low117 Ų117117.2 Ų117.251%0.50963%0.625SS.*Hα-helixtrans-69.2-48.1170.2-167.3175-178.3-78.80109.4N656 L661 I662 E663N656-K659 WeakPolarHBondContact O-CA 3.47Å; N656-K659 WeakPolarHBondContact O-CB 3.47Å; N656-K659 PolarHBondContact O-N 3.15Å; K659-L661 VanDerWaalsContact C-N 3.27Å; K659-L661 PolarHBondContact O-N 3.01Å; K659-I662 PolarHBondContact O-N 3Å; K659-I662 VanDerWaalsContact O-N 3.08Å; K659-E663 IonicContact NZ-OE1 3.96Å; K659-E663 PolarHBondContact NZ-OE1 3.08Å; K659-E663 IonicContact NZ-OE2 3.71Å; K659-E663 PolarHBondContact NZ-OE2 3.35Å; K659-E663 WeakPolarHBondContact O-CB 3.48Å; K659-E663 PolarHBondContact O-N 2.78Å
660D33.2Very low29.9Very low86 Ų86118.4 Ų118.446%0.4662%0.623SS.*Hα-helixtrans-55.1-41.9177.4-49.6-26.7000111.9K657 A664K657-D660 WeakPolarHBondContact CA-OD2 3.23Å; D660-A664 WeakPolarHBondContact O-CB 3.31Å; D660-A664 PolarHBondContact O-N 3.11Å
661L32.5Very low29.9Very low99 Ų99111.7 Ų111.752%0.51861%0.608SS.*Hα-helixtrans-64.7-46.3174.7-78.8169.3000113.2K657 K659 E663 F665K657-L661 WeakPolarHBondContact O-CG 3.45Å; K657-L661 PolarHBondContact O-N 3.15Å; K659-L661 VanDerWaalsContact C-N 3.27Å; K659-L661 PolarHBondContact O-N 3.01Å; L661-E663 VanDerWaalsContact C-N 3.35Å; L661-F665 WeakPolarHBondContact O-CD2 3.36Å; L661-F665 WeakPolarHBondContact O-CG 3.44Å; L661-F665 PolarHBondContact O-N 3.06Å
662I34Very low29.9Very low110 Ų110111.2 Ų111.256%0.56461%0.613SS**Hα-helixtrans-68.3-37.8179.4-68.4168.8000110.9N658 K659 F665 S666N658-I662 WeakPolarHBondContact O-CG1 3.45Å; N658-I662 PolarHBondContact O-N 2.79Å; K659-I662 PolarHBondContact O-N 3Å; K659-I662 VanDerWaalsContact O-N 3.08Å; I662-F665 PolarHBondContact O-N 2.85Å; I662-S666 PolarHBondContact O-N 2.75Å; I662-S666 PolarHBondContact O-OG 2.88Å
663E31Very low29.8Very low96 Ų96107.9 Ų107.945%0.44961%0.606SS.*Hα-helixtrans-72.7-36.1-179.7-154.5150.5-135.900110.7K659 L661 S666 S667K659-E663 IonicContact NZ-OE1 3.96Å; K659-E663 PolarHBondContact NZ-OE1 3.08Å; K659-E663 IonicContact NZ-OE2 3.71Å; K659-E663 PolarHBondContact NZ-OE2 3.35Å; K659-E663 WeakPolarHBondContact O-CB 3.48Å; K659-E663 PolarHBondContact O-N 2.78Å; L661-E663 VanDerWaalsContact C-N 3.35Å; E663-S666 WeakPolarHBondContact CA-OG 3.23Å; E663-S666 PolarHBondContact O-N 2.99Å; E663-S666 PolarHBondContact O-OG 3.3Å; E663-S667 WeakPolarHBondContact O-CB 3.26Å; E663-S667 PolarHBondContact O-N 3.32Å; E663-S667 PolarHBondContact O-OG 3.22Å
664A32Very low29.6Very low40 Ų40111.5 Ų111.533%0.33160%0.602SS.*Hα-helixtrans-62.8-44166.100000112.7D660 S666 S667 L668D660-A664 WeakPolarHBondContact O-CB 3.31Å; D660-A664 PolarHBondContact O-N 3.11Å; A664-S666 PolarHBondContact O-N 3.45Å; A664-S667 WeakPolarHBondContact CA-OG 3.39Å; A664-S667 PolarHBondContact O-N 3.14Å; A664-S667 PolarHBondContact O-OG 2.83Å; A664-L668 VanDerWaalsContact O-CB 3.31Å; A664-L668 WeakPolarHBondContact O-CB 3.27Å; A664-L668 VanDerWaalsContact O-CG 3.24Å; A664-L668 WeakPolarHBondContact O-CG 3.33Å; A664-L668 PolarHBondContact O-N 2.91Å
665F29Very low29.3Very low138 Ų138111.2 Ų111.261%0.60560%0.599SS**Hα-helixtrans-62.9-31.2174.1-77.3-55.6000112.5L661 I662L661-F665 WeakPolarHBondContact O-CD2 3.36Å; L661-F665 WeakPolarHBondContact O-CG 3.44Å; L661-F665 PolarHBondContact O-N 3.06Å; I662-F665 PolarHBondContact O-N 2.85Å
666S31.1Very low28.9Very low57 Ų57111.7 Ų111.740%0.39960%0.604SS.*Hα-helixtrans-76.9-41.9172.964.40000113.3I662 E663 A664 L668 S669I662-S666 PolarHBondContact O-N 2.75Å; I662-S666 PolarHBondContact O-OG 2.88Å; E663-S666 WeakPolarHBondContact CA-OG 3.23Å; E663-S666 PolarHBondContact O-N 2.99Å; E663-S666 PolarHBondContact O-OG 3.3Å; A664-S666 PolarHBondContact O-N 3.45Å; S666-L668 PolarHBondContact O-N 2.69Å; S666-S669 WeakPolarHBondContact O-CB 3.41Å; S666-S669 PolarHBondContact O-N 3.44Å; S666-S669 PolarHBondContact O-OG 3.07Å
667S29.4Very low28.3Very low72 Ų72110.8 Ų110.850%0.50361%0.607SS.*Hα-helixtrans-70.2-32.3-179.259.40000112.6E663 A664 S669 I670E663-S667 WeakPolarHBondContact O-CB 3.26Å; E663-S667 PolarHBondContact O-N 3.32Å; E663-S667 PolarHBondContact O-OG 3.22Å; A664-S667 WeakPolarHBondContact CA-OG 3.39Å; A664-S667 PolarHBondContact O-N 3.14Å; A664-S667 PolarHBondContact O-OG 2.83Å; S667-S669 PolarHBondContact O-N 2.93Å; S667-S669 VanDerWaalsContact O-N 3.15Å; S667-I670 PolarHBondContact O-N 3.26Å
668L26.5Very low27.8Very low147 Ų147111.3 Ų111.377%0.7761%0.612SS**THydrogen-bonded Turntrans-65.1-8168.7-72.2169.6000114.1A664 S666A664-L668 VanDerWaalsContact O-CB 3.31Å; A664-L668 WeakPolarHBondContact O-CB 3.27Å; A664-L668 VanDerWaalsContact O-CG 3.24Å; A664-L668 WeakPolarHBondContact O-CG 3.33Å; A664-L668 PolarHBondContact O-N 2.91Å; S666-L668 PolarHBondContact O-N 2.69Å
669S26Very low27.2Very low86 Ų86113 Ų11360%0.60163%0.626SS**THydrogen-bonded Turntrans-105-3177.975.90000114.3S666 S667S666-S669 WeakPolarHBondContact O-CB 3.41Å; S666-S669 PolarHBondContact O-N 3.44Å; S666-S669 PolarHBondContact O-OG 3.07Å; S667-S669 PolarHBondContact O-N 2.93Å; S667-S669 VanDerWaalsContact O-N 3.15Å
670I24.6Very low26.7Very low118 Ų118119 Ų11961%0.60565%0.646SS**SBendtrans-93.7111.8-179.9-62.6172.3000109.5S667S667-I670 PolarHBondContact O-N 3.26Å
671T25Very low26.2Very low96 Ų96123 Ų12359%0.58967%0.667SS**  trans-55.7131.3168.448.90000110.4T673T671-T673 PolarHBondContact O-N 3.5Å
672P23.8Very low25.7Very low131 Ų131125.6 Ų125.685%0.85168%0.682SS**  trans-62.1106.1-179.2-22.933.6000111.9E674P672-E674 PolarHBondContact O-N 2.97Å
673T24.1Very low25.1Very low120 Ų120129.8 Ų129.874%0.73670%0.696SS**  trans-76.4114.8171490000109.3T671T671-T673 PolarHBondContact O-N 3.5Å
674E21.5Very low24.8Very low151 Ų151133.9 Ų133.971%0.70672%0.719SS**  trans-58.4147.4172.9-59.7-172.3142.800112.4P672P672-E674 PolarHBondContact O-N 2.97Å
675K22.6Very low24.2Very low179 Ų179138.9 Ų138.978%0.77874%0.735SS**  trans70.5129.6173.4-50.9130.3-167.4157.30112.9
676S23.2Very low23.8Very low115 Ų115140.5 Ų140.580%0.80474%0.742SS**  cis-132.8161.528.256.40000114.7
677S22Very low23.4Very low95 Ų95143.2 Ų143.266%0.66476%0.761SS**  trans-70.3172.316548.60000112.4
678E22.7Very low22.9Very low172 Ų172145.1 Ų145.180%0.80477%0.774SS**  trans64.189.7164.3-62.6175.4-162.500117.7
679T23.9Very low22.5Very low147 Ų147143 Ų14390%0.90277%0.772SS**  166.773.5113.238.60000113.8
680W23Very low22.2Very low245 Ų245145 Ų14593%0.92878%0.783SS**SBendtrans-139.60.5162.7-133.9-21.4000117.5N682W680-N682 VanDerWaalsContact C-N 3.28Å; W680-N682 PolarHBondContact O-N 2.93Å
681N22.4Very low21.9Very low168 Ų168147.6 Ų147.690%0.89879%0.793SS**SBendtrans-82.48.7177.1-77.32.2000114.9
682N22Very low21.6Very low155 Ų155149.7 Ų149.783%0.82980%0.798SS**SBendtrans-13673.6-175.4-88.6-34.8000112.7W680W680-N682 VanDerWaalsContact C-N 3.28Å; W680-N682 PolarHBondContact O-N 2.93Å
683K22Very low21.4Very low198 Ų198153.1 Ų153.186%0.86180%0.803SS**  trans173.897.2147.6-99162.3-175.3176.80111
684I24.9Very low21.1Very low182 Ų182152 Ų15293%0.93380%0.8SS**  trans-16381136.7-90.6143.1000105.1
685E19.8Very low21Very low145 Ų145153.6 Ų153.668%0.67881%0.805SS**  trans-108.6144.9158.4-111.6-154.5153.400107.1
686K20Very low20.9Very low172 Ų172152.9 Ų152.975%0.74880%0.804SS**  trans57.684.5156.8-63.3158.8-175.4147.40116.8
687S21.7Very low20.6Very low113 Ų113153.8 Ų153.879%0.7980%0.8SS**  trans-133.488148.764.30000111.3
688S20.2Very low20.5Very low112 Ų112159.1 Ų159.178%0.78381%0.812SS**  trans28.1115.5152.955.80000119.8
689S17.4Very low20.4Very low104 Ų104158.4 Ų158.473%0.72781%0.808SS**PPolyproline II helixtrans-59.5138.2158.8490000112.7
690P20Very low20.4Very low128 Ų128158.2 Ų158.283%0.83181%0.807SS**PPolyproline II helixtrans-64.5141.4161.4-1630.6000110.5
691Q18Very low20.4Very low172 Ų172150.5 Ų150.580%0.80480%0.803SS**PPolyproline II helixtrans-94.3138.4176-73.5-177.7-3800112
692I18.7Very low20.4Very low139 Ų139151.8 Ų151.871%0.71380%0.801SS**  trans35.3110.5135.5-50.1168.6000116.8
693Q19Very low20.5Very low204 Ų204153.4 Ų153.495%0.95380%0.803SS**  -132.6142.7124-105.8179.75.900109.4
694S18.5Very low20.6Very low95 Ų95151.2 Ų151.266%0.66480%0.8SS**  trans-126.3162.1-169.2570000111.6
695K18.9Very low20.6Very low185 Ų185148 Ų14880%0.80479%0.791SS**  trans85.5141.4-168.3-54.8177.7175.5-171.50113
696E20.1Very low20.8Very low165 Ų165146.9 Ų146.977%0.77180%0.796SS**  cis-144.2146.921.7-141.2145.8-118.500112.3
697D18.6Very low21Very low133 Ų133144.7 Ų144.771%0.71180%0.8SS**  trans-82.8138.8179.5-59.5-81.1000112.4
698F20Very low21.2Very low208 Ų208145.6 Ų145.691%0.91280%0.8SS**  trans-144.5139.2150.3-102.1-73.5000112.6
699H20.7Very low21.4Very low157 Ų157145.8 Ų145.873%0.72780%0.799SS**  trans-112.6164.6-167.7-76.3-59.3000114.5
700T22.5Very low21.7Very low143 Ų143150.4 Ų150.488%0.87781%0.806SS**  trans81.7138.8156.571.40000119.4
701G22.9Very low22.2Very low82 Ų82149.6 Ų149.685%0.84580%0.801SS**  trans176.251.318000000112
702K22.9Very low22.7Very low196 Ų196149.3 Ų149.385%0.85280%0.804SS**  trans-85.7127.7-175.7-67.6177.5179.9173.50112.3
703Q24.1Very low23Very low188 Ų188146.6 Ų146.688%0.87980%0.803SS**  trans-167.8149.3154.7-99.7159.533.100108.3
704L24.2Very low23.3Very low153 Ų153143.2 Ų143.280%0.80180%0.799SS**  cis178.9131.6-31.3-135.7144.8000103.2
705P24.6Very low23.6Very low113 Ų113149.1 Ų149.173%0.73481%0.806SS**PPolyproline II helixtrans-83.4161.4-162.431.9-38000116.3
706P24.9Very low23.8Very low123 Ų123150.9 Ų150.980%0.79981%0.808SS**PPolyproline II helixtrans-71.8164.5178.229.7-36.1000114.7
707P23.2Very low24.3Very low125 Ų125148.7 Ų148.781%0.81281%0.808SS**PPolyproline II helixtrans-92.9168.5-153.736-38.4000117.5
708V25Very low24.6Very low132 Ų132145.6 Ų145.680%0.880%0.801SS**PPolyproline II helixtrans-75137.6-173.7-175.80000113.2
709P26.3Very low24.8Very low117 Ų117143.2 Ų143.276%0.7679%0.793SS**PPolyproline II helixtrans-62.5144.6171.6-23.434.6000113.9
710K23.2Very low24.9Very low200 Ų200142.6 Ų142.687%0.8780%0.795SS**PPolyproline II helixtrans-67.7143.2-177.4-67.5-177.5178.1-178.90112.6
711P30.3Very low25Very low112 Ų112146.8 Ų146.873%0.72779%0.794SS**SBendtrans-70.2166.8175.430.5-35.7000112.9
712N27.7Very low25Very low165 Ų165151.1 Ų151.188%0.88280%0.798SS**  trans86.230172.5-54-12.2000118.3
713A26.4Very low24.9Very low82 Ų82150.8 Ų150.868%0.67880%0.797SS**SBendtrans-96.2142.2155.600000111.1
714P24.2Very low24.7Very low133 Ų133147.7 Ų147.786%0.86479%0.791SS**PPolyproline II helixtrans-64.9136.5-177.7-24.235.2000114.5
715R24.1Very low24.6Very low220 Ų220145.3 Ų145.383%0.8379%0.787SS**PPolyproline II helixtrans-78.8146.6-172.8-65178.8177137.81.1113.4
716R24.7Very low24.3Very low222 Ų222144.7 Ų144.784%0.83879%0.785SS**PPolyproline II helixtrans-97.5147.3171.5-72.8-178.6173.6174.9-2.1111.8A718R716-A718 VanDerWaalsContact C-N 3.28Å; R716-A718 PolarHBondContact O-N 3.39Å
717P29.9Very low24.1Very low118 Ų118145.1 Ų145.177%0.76678%0.781SS**THydrogen-bonded Turntrans-78.464.1-170.7-15.533.4000115.1R818P717-R818 PolarHBondContact O-NH2 3.44Å
718A25.3Very low23.9Very low69 Ų69146.4 Ų146.457%0.5778%0.78SS**THydrogen-bonded Turntrans-132.4-25.7169.500000112.2R716 N720R716-A718 VanDerWaalsContact C-N 3.28Å; R716-A718 PolarHBondContact O-N 3.39Å; A718-N720 PolarHBondContact O-N 2.77Å; A718-N720 VanDerWaalsContact O-N 3.17Å
719E22.9Very low23.7Very low157 Ų157144.9 Ų144.973%0.73478%0.775SS**  trans-81.190173.5-67.7177.9173.700110.7
720N23.4Very low23.7Very low145 Ų145144 Ų14478%0.77577%0.769SS**  trans-146.9125.2165.6-148.8-13.6000110.6A718A718-N720 PolarHBondContact O-N 2.77Å; A718-N720 VanDerWaalsContact O-N 3.17Å
721R25Very low23.5Very low230 Ų230142.2 Ų142.287%0.86876%0.764SS**  trans64.6103.8-173-55.6179.6178.4-179-2.5115.8
722N22.3Very low23Very low173 Ų173142.9 Ų142.993%0.92576%0.761SS**  -144.5129113.3-101.6-14000109
723K21.4Very low22.6Very low189 Ų189145.6 Ų145.682%0.82276%0.759SS**  trans-148.3131173.3-128.3-166.6-178.5-169.40109.4
724T20.7Very low22.3Very low123 Ų123146.7 Ų146.776%0.75576%0.761SS**  trans67.6153.2153.945.10000121.6
725S21.9Very low22.1Very low103 Ų103151.8 Ų151.872%0.7276%0.763SS**  trans63.782.9160.252.30000119.4
726S18.5Very low21.8Very low100 Ų100151.5 Ų151.570%0.69976%0.764SS**  -13.9130.912253.70000117.1
727N19.7Very low21.6Very low133 Ų133149.2 Ų149.271%0.71176%0.763SS**  172.1131.2107.8-93-12.3000113.8
728I19.5Very low21.1Very low152 Ų152148 Ų14878%0.77976%0.757SS**  trans66.2155.5139-56170.1000117.6
729S19.7Very low20.9Very low99 Ų99150 Ų15069%0.69277%0.766SS**  trans-89.6-164.817962.20000110.5
730P26.4Very low20.8Very low99 Ų99152.5 Ų152.564%0.64377%0.769SS**  cis-137.2-177.9-6.541.4-23.5000115.9
731H20.1Very low20.6Very low163 Ų163152.8 Ų152.876%0.75577%0.766SS**  trans69.4135.5144.1-89.3-66.4000123.4
732N20.1Very low20.4Very low125 Ų125149.1 Ų149.167%0.66876%0.758SS**  trans89.9108.4137.3-67.8-15.1000122.9
733R19.2Very low20.3Very low222 Ų222147.9 Ų147.984%0.83875%0.747SS**  68.3106.6122.8-68.8-174.6172-173.4-2.5120.8
734S18.6Very low20.2Very low105 Ų105144.1 Ų144.173%0.73474%0.74SS**  56.1122.6128.467.60000121.4
735R19.6Very low20.2Very low241 Ų241143.1 Ų143.191%0.90973%0.73SS**  -167.2134.2110.5-107171.8-177.6176.61114.8
736Y18.7Very low20.1Very low213 Ų213146.3 Ų146.384%0.83573%0.73SS**  trans-9.9164.6145.4-98-92.8000122.7
737Q21.4Very low20Very low175 Ų175148.3 Ų148.382%0.81873%0.732SS**  trans79.8154.3158.8-73.6170.9-4.100118.9
738S19.6Very low20Very low93 Ų93147.9 Ų147.965%0.6573%0.734SS**  cis-174.6152.1-36.654.30000111.9
739S20.3Very low19.9Very low109 Ų109150.1 Ų150.176%0.76274%0.738SS**  trans65.4173.4165.383.30000116.5
740R20.1Very low19.8Very low210 Ų210152.6 Ų152.679%0.79274%0.743SS**  cis-154.21305.7-133.9163.5177.1-173.20.1107.1
741H20.4Very low19.5Very low152 Ų152154.9 Ų154.970%0.70475%0.749SS**  75.5142.4104.1-79.625.3000120.4
742Q20.5Very low19.4Very low153 Ų153155 Ų15572%0.71575%0.75SS**  trans74.2147.5142.3-78172.3-51.700119.8
743Q19.3Very low19.4Very low146 Ų146154 Ų15468%0.68276%0.759SS**  cis-170.6179.3-16-142.8177.2-5100110.5
744V20.2Very low19.5Very low110 Ų110149.4 Ų149.467%0.66776%0.758SS**  trans73.4139.7146.91540000117.3
745D19.6Very low19.6Very low102 Ų102152.9 Ų152.955%0.54577%0.767SS.*  cis-170.3165-3.5-120.4-5.6000114.9
746K19.8Very low19.5Very low170 Ų170149.8 Ų149.874%0.73976%0.763SS**  trans66.4160.3141.7-73.7169.4-179.2129.20122.1
747I17.6Very low19.5Very low142 Ų142144.3 Ų144.373%0.72876%0.755SS**  cis-166.5170.8-34.8-123.4178.3000111
748T19.2Very low19.3Very low125 Ų125142.2 Ų142.277%0.76776%0.755SS**  trans91135.7177.668.30000116.6
749K17.6Very low19.2Very low198 Ų198146 Ų14686%0.86177%0.766SS**  cis103.3119.813-80.7-162.4172-172.20116
750I18.7Very low19.1Very low152 Ų152149.1 Ų149.178%0.77977%0.769SS**  168.8138.3126.9-89.8160.7000112.1
751N19Very low19.1Very low146 Ų146145.6 Ų145.678%0.78177%0.771SS**  trans33.8138.3162.8-54.43000121.1
752E17.6Very low18.9Very low165 Ų165150.2 Ų150.277%0.77178%0.782SS**  cis71.7105.526.3-77.7-163.6167.500118.1K329K329-E752 IonicContact NZ-OE1 3.48Å; K329-E752 PolarHBondContact NZ-OE1 3.01Å
753A20.7Very low18.8Very low104 Ų104154.3 Ų154.386%0.8679%0.791SS**  trans-163.9133151.500000110.9
754P20.6Very low18.8Very low127 Ų127153.3 Ų153.383%0.82580%0.798SS**  trans-117.9165.4-179.640.9-32.1000115
755I21.1Very low18.7Very low178 Ų178155.2 Ų155.291%0.91381%0.805SS**  trans-139.6141.2163-59.9-178000108.7
756E17.5Very low18.9Very low176 Ų176157.5 Ų157.582%0.82282%0.817SS**  trans-148.1153.4-170.3-167.7172.4-129.100112.4
757S18.1Very low19.3Very low97 Ų97154.8 Ų154.868%0.67882%0.817SS**  trans67.8113.8161.365.30000122.2
758T18.1Very low19.4Very low132 Ų132152.6 Ų152.681%0.8181%0.814SS**  52.1127.7116.7-43.10000122.2
759I18.4Very low19.4Very low173 Ų173152.5 Ų152.589%0.88781%0.814SS**  trans-151.2166.2141.5-113.4162.1000111.6
760Q18Very low19.6Very low174 Ų174149.6 Ų149.681%0.81381%0.808SS**  trans-95.2169.7-157.9-67.8170.2-22.700116.8
761T18.3Very low19.7Very low136 Ų136148.7 Ų148.783%0.83480%0.804SS**  trans-45.9154.1171.746.80000116.9
762R18.1Very low19.9Very low248 Ų248148 Ų14894%0.93680%0.8SS**  trans-133.5146.3154.6-75.1-171.8175.6-173-1110.9
763R16.8Very low20.1Very low239 Ų239147.4 Ų147.490%0.90280%0.801SS**  trans-105.5151.2158.2-76.1179.8171.2175.9-4.1108.6
764C19.1Very low20.2Very low125 Ų125149.1 Ų149.185%0.84580%0.801SS**  trans-169.3168.7145.6-960000109
765D18.5Very low20.3Very low150 Ų150150 Ų15080%0.80280%0.798SS**  trans-104-174.8-159.5-57.8-94.3000115.1
766N25.1Very low20.4Very low150 Ų150149 Ų14980%0.80279%0.794SS**  trans-35.2164.9169.4-59.8-39.1000116.4
767P27.5Very low20.8Very low113 Ų113145.7 Ų145.773%0.73479%0.791SS**  cis-146.9-175.723.339.6-17.2000119
768S19.1Very low21.3Very low97 Ų97149.3 Ų149.368%0.67880%0.796SS**  trans80.6128.9140.556.90000124.3
769T20.6Very low21.7Very low123 Ų123147.4 Ų147.476%0.75578%0.778SS**  trans78.9122.6143.544.40000123.4
770N20.7Very low22.2Very low137 Ų137143.3 Ų143.373%0.73377%0.77SS**  trans78.492.1141.3-62.810.5000121
771N21.2Very low22.8Very low133 Ų133139.8 Ų139.871%0.71176%0.757SS**  69136.7115.4-79.849.3000122.9
772D22.1Very low23.3Very low130 Ų130141.1 Ų141.170%0.69576%0.759SS**  trans63.366.8142.5-50.7-28.1000118.6
773I23.3Very low23.9Very low153 Ų153134 Ų13479%0.78574%0.736SS**  -158.9108.6119.7-86.4137.7000106.8L775I773-L775 HydrophobicContact CG2-CD1 4.41Å
774V22.2Very low24.6Very low141 Ų141126.3 Ų126.386%0.85571%0.712SS**  trans-111117.6172.4178.90000107.8
775L22.7Very low25.2Very low145 Ų145122.9 Ų122.976%0.75969%0.685SS**  trans-77.7143.6177.1-66.8113.4000110.7I773 S777I773-L775 HydrophobicContact CG2-CD1 4.41Å; L775-S777 PolarHBondContact O-N 3.12Å
776D23.9Very low25.7Very low157 Ų157119 Ų11984%0.8466%0.664SS**  trans-65.194.2177.7-78.7-56.8000111.9H778D776-H778 PolarHBondContact O-N 3.11Å
777S25.5Very low26Very low107 Ų107114.1 Ų114.175%0.74864%0.64SS**  trans-81105.5172.859.50000111L775 E779L775-S777 PolarHBondContact O-N 3.12Å; S777-E779 PolarHBondContact O-N 2.94Å; S777-E779 VanDerWaalsContact O-N 3.16Å
778H28.4Very low26.2Very low173 Ų173110.4 Ų110.480%0.80161%0.614SS**  trans-73.497.7179.1-80.6-107.3000112.9D776D776-H778 PolarHBondContact O-N 3.11Å
779E26.9Very low26.7Very low92 Ų92107.3 Ų107.343%0.4359%0.59SS.*  trans-141108.9164.2-78.4-167.295.400112S777 Q800 P801S777-E779 PolarHBondContact O-N 2.94Å; S777-E779 VanDerWaalsContact O-N 3.16Å; E779-Q800 VanDerWaalsContact OE2-C 3.26Å; E779-Q800 WeakPolarHBondContact OE2-CA 3.49Å; E779-P801 VanDerWaalsContact CD-CB 3.43Å; E779-P801 HydrophobicContact CG-CB 4.34Å; E779-P801 VanDerWaalsContact OE1-CA 3.27Å; E779-P801 WeakPolarHBondContact OE1-CA 3.43Å; E779-P801 VanDerWaalsContact OE1-CB 3.27Å; E779-P801 WeakPolarHBondContact OE1-CB 3.43Å; E779-P801 WeakPolarHBondContact OE2-CD 3.36Å; E779-P801 VanDerWaalsContact OE2-CG 3.27Å; E779-P801 WeakPolarHBondContact OE2-CG 3.26Å; E779-P801 VanDerWaalsContact OE2-N 3.13Å
780A27.6Very low26.9Very low87 Ų87103.2 Ų103.272%0.71957%0.572SS**  trans-152.88176.400000115.4N782A780-N782 PolarHBondContact O-N 2.92Å
781D32Very low27.4Very low100 Ų100102.2 Ų102.254%0.53556%0.559SS.*THydrogen-bonded Turntrans-78.612.9-158.3-65-16000116.3S960D781-S960 WeakPolarHBondContact OD1-CB 3.25Å
782N28.7Very low27.7Very low163 Ų163100.7 Ų100.787%0.87257%0.565SS**THydrogen-bonded Turntrans-110.75.4-169.7-86.2-65000116.6A780A780-N782 PolarHBondContact O-N 2.92Å
783E30.7Very low27.8Very low100 Ų10097.4 Ų97.447%0.46754%0.544SS..  trans-121.127-179.3-64.5-166.7157.900114.8L785 F793E783-L785 PolarHBondContact O-N 3.16Å; E783-F793 HydrophobicContact CB-CE2 4.44Å
784I30.8Very low27.9Very low76 Ų76101.6 Ų101.639%0.3955%0.55SS.*THydrogen-bonded Turntrans-60.7-24.3-178.6-63.5171.5000113.4I786 L788I784-I786 PolarHBondContact O-N 2.96Å; I784-L788 HydrophobicContact CG2-CD1 3.49Å; I784-L788 VanDerWaalsContact CG2-CD1 3.49Å
785L31.5Very low28Very low53 Ų53102.8 Ų102.828%0.27754%0.544SS..THydrogen-bonded Turntrans-70.9-17.3-167.9-98.5162.8000116.8I280 E783 L789I280-L785 HydrophobicContact CD1-CD2 4.02Å; E783-L785 PolarHBondContact O-N 3.16Å; L785-L789 WeakPolarHBondContact O-CD1 3.27Å; L785-L789 VanDerWaalsContact O-CG 3.29Å; L785-L789 WeakPolarHBondContact O-CG 3.32Å
786I29.3Very low28.3Very low69 Ų69100.5 Ų100.535%0.35454%0.538SS..THydrogen-bonded Turntrans-83.2-48.5-172.3-62.6175.2000112.9I784 L788 L789I784-I786 PolarHBondContact O-N 2.96Å; I786-L788 PolarHBondContact O-N 2.84Å; I786-L789 PolarHBondContact O-N 3.01Å
787P31.6Very low28.3Very low47 Ų4797.1 Ų97.131%0.30553%0.532SS..G310 helixtrans-63.3-40.5177.1-23.735.7000113.4L789 G790 Y791P787-L789 PolarHBondContact O-N 2.94Å; P787-G790 PolarHBondContact O-N 3.17Å; P787-Y791 WeakPolarHBondContact CA-O 3.48Å
788L31.2Very low28.4Very low36 Ų3699.7 Ų99.719%0.18854%0.537CS..G310 helixtrans-61.6-12.7178.3-99.8139.2000114.7I784 I786 D954 D957I784-L788 HydrophobicContact CG2-CD1 3.49Å; I784-L788 VanDerWaalsContact CG2-CD1 3.49Å; I786-L788 PolarHBondContact O-N 2.84Å; L788-D954 HydrophobicContact CD2-CB 4.11Å; L788-D957 HydrophobicContact CD1-CB 4.41Å
789L29Very low28.4Very low31 Ų3195.9 Ų95.916%0.16253%0.53CS..G310 helixtrans-101.65173.7-60.5176.8000113.4Y238 V272 L785 I786 P787 Y791Y238-L789 HydrophobicContact CE1-CD1 3.64Å; V272-L789 HydrophobicContact CB-CD2 4.46Å; V272-L789 HydrophobicContact CG1-CD2 4.06Å; V272-L789 HydrophobicContact CG2-CB 4.37Å; V272-L789 HydrophobicContact CG2-CD2 3.75Å; L785-L789 WeakPolarHBondContact O-CD1 3.27Å; L785-L789 VanDerWaalsContact O-CG 3.29Å; L785-L789 WeakPolarHBondContact O-CG 3.32Å; I786-L789 PolarHBondContact O-N 3.01Å; P787-L789 PolarHBondContact O-N 2.94Å; L789-Y791 HydrophobicContact CB-CD2 4.35Å; L789-Y791 WeakPolarHBondContact O-CD2 3.39Å; L789-Y791 WeakPolarHBondContact O-CE2 3.5Å
790G26.3Very low28.4Very low37 Ų37100.3 Ų100.338%0.38155%0.551SS.*THydrogen-bonded Turntrans96.117175.700000116.1P787P787-G790 PolarHBondContact O-N 3.17Å
791Y30.2Very low28.4Very low116 Ų116100.5 Ų100.546%0.45554%0.544SS..  trans-129.3149.9-168.3-63.4-74.5000115.1P787 L789P787-Y791 WeakPolarHBondContact CA-O 3.48Å; L789-Y791 HydrophobicContact CB-CD2 4.35Å; L789-Y791 WeakPolarHBondContact O-CD2 3.39Å; L789-Y791 WeakPolarHBondContact O-CE2 3.5Å
792A26.8Very low27.9Very low102 Ų102103.7 Ų103.784%0.84356%0.561SS**  trans-79.9162.4-171.200000114.9
793F25.1Very low27.5Very low61 Ų61104.2 Ų104.227%0.26856%0.558SS.*  trans-122.1145.4-163.5-173.5-79.7000114.2E783 K795E783-F793 HydrophobicContact CB-CE2 4.44Å; F793-K795 HydrophobicContact CE1-CB 4.31Å; F793-K795 HydrophobicContact CE1-CG 3.75Å
794R26.3Very low27Very low240 Ų240107.2 Ų107.291%0.90658%0.575SS**  trans-139.1148.5160.3-73.6-167.9176.1-165.70.1110.8
795K24.2Very low26.5Very low167 Ų167113.8 Ų113.873%0.72660%0.597SS**  trans-85.8139.5-171.2-72.1-174.4173-169.60114.5F793F793-K795 HydrophobicContact CE1-CB 4.31Å; F793-K795 HydrophobicContact CE1-CG 3.75Å
796P27.7Very low25.9Very low96 Ų96117.1 Ų117.162%0.62362%0.623SS**  trans-108-166.9147.329.8-13.8000111.6
797A25Very low25.5Very low87 Ų87121.2 Ų121.272%0.71965%0.646SS**  trans-143.6158.7-163.300000117.3
798N26.2Very low25Very low161 Ų161127.2 Ų127.286%0.86167%0.669SS**  trans59.8111.2156-59.20.5000122
799S28.4Very low24.6Very low93 Ų93133.1 Ų133.165%0.6570%0.7SS**  trans-171.9157.414557.10000111.8
800Q27.9Very low24.1Very low184 Ų184135 Ų13586%0.8672%0.717SS**  trans-99.2171.2-158.1-88.2-176.7-30.500118.7E779E779-Q800 VanDerWaalsContact OE2-C 3.26Å; E779-Q800 WeakPolarHBondContact OE2-CA 3.49Å
801P27.6Very low23.8Very low91 Ų91142.5 Ų142.559%0.59174%0.738SS**  trans-98.8179-162.826.3-14.6000116.9E779E779-P801 VanDerWaalsContact CD-CB 3.43Å; E779-P801 HydrophobicContact CG-CB 4.34Å; E779-P801 VanDerWaalsContact OE1-CA 3.27Å; E779-P801 WeakPolarHBondContact OE1-CA 3.43Å; E779-P801 VanDerWaalsContact OE1-CB 3.27Å; E779-P801 WeakPolarHBondContact OE1-CB 3.43Å; E779-P801 WeakPolarHBondContact OE2-CD 3.36Å; E779-P801 VanDerWaalsContact OE2-CG 3.27Å; E779-P801 WeakPolarHBondContact OE2-CG 3.26Å; E779-P801 VanDerWaalsContact OE2-N 3.13Å
802L21.7Very low23.4Very low168 Ų168144.5 Ų144.588%0.8876%0.757SS**  trans-142.9141.7167.9-155.886.3000111.7
803E19.6Very low23.1Very low173 Ų173148.5 Ų148.581%0.80876%0.756SS**  trans-97.3153.5-176-58.5178.8135.400113.9
804I21.4Very low22.9Very low163 Ų163155 Ų15584%0.83678%0.784SS**  trans-140137.1170.5-60.2-177.1000110.3
805Y20.5Very low22.6Very low214 Ų214149.7 Ų149.784%0.83978%0.778SS**  trans-82.4156.7-173.6-93.1-109000115.4
806C18.9Very low22.5Very low123 Ų123147.7 Ų147.783%0.83177%0.774SS**  trans-112.9160.6161.6-63.60000110.3
807D20.3Very low22.2Very low155 Ų155152.8 Ų152.883%0.82978%0.781SS**  trans-146.3156.6174.4-145.8-19.1000112.5
808H20.8Very low22.1Very low173 Ų173155.6 Ų155.680%0.80177%0.773SS**  trans-113.8162.3-175.1-67.2-80.3000111.7
809L22.1Very low21.9Very low160 Ų160155.5 Ų155.584%0.83877%0.765SS**  trans179.9-179.4137.4-98.5162.3000112.8
810S19.7Very low21.6Very low72 Ų72155.9 Ų155.950%0.50376%0.756SS.*  trans-151.2150.9-136.566.40000117.8
811K19.6Very low21.3Very low193 Ų193152.2 Ų152.284%0.83974%0.743SS**  trans45.8115.3144.1-63169.8-176.61680119.3
812N21.9Very low21.1Very low158 Ų158156.3 Ų156.385%0.84575%0.751SS**  trans-152.9-176.9132.2-130.4-77.6000114.3
813K19.8Very low21.2Very low187 Ų187154.2 Ų154.281%0.81374%0.741SS**  trans-149.8160.8-166.8-83.1170.9172.9172.10114.2
814K21.2Very low21.4Very low197 Ų197151.3 Ų151.386%0.85774%0.735SS**  trans95.3131.8170.6-55.5171.1-176.3174.60114.4
815V21Very low21.4Very low129 Ų129147.2 Ų147.278%0.78273%0.733SS**  cis97.1114.321.7174.80000114
816L21.9Very low21.4Very low125 Ų125143 Ų14365%0.65474%0.735SS**  160.8124.7110-16461.2000117
817R20.8Very low21.5Very low203 Ų203140.5 Ų140.577%0.76673%0.73SS**  trans67157.4151.1-75.7172.1-168.4174.74.4120.8
818R22.7Very low21.6Very low146 Ų146143.5 Ų143.555%0.55174%0.736SS**  cis-174.9167.2-23.1-164.3176.9177.4-176.9-1.8110.9P717 E820P717-R818 PolarHBondContact O-NH2 3.44Å; R818-E820 IonicContact NE-OE1 3.36Å
819K22.2Very low21.6Very low158 Ų158138.9 Ų138.969%0.68774%0.735SS**  trans85.4154157.1-73.4-158.9164.4-101.80119
820E21.2Very low21.5Very low101 Ų101142.4 Ų142.447%0.47274%0.739SS.*  cis-177.1145.6-39.9-113.7161.7-158.200110.5R818R818-E820 IonicContact NE-OE1 3.36Å
821N23.4Very low21.5Very low108 Ų108145.9 Ų145.958%0.57876%0.757SS**  trans135120.9157-73.2-13000113.1K478K478-N821 VanDerWaalsContact CD-O 3.23Å; K478-N821 WeakPolarHBondContact CD-O 3.48Å; K478-N821 PolarHBondContact NZ-O 3.31Å
822K23Very low21.6Very low176 Ų176143.1 Ų143.177%0.76576%0.756SS**  cis69.7142.848.3-64.8-166168.7-171.50113.4
823N24.3Very low21.7Very low125 Ų125140.1 Ų140.167%0.66875%0.754SS**  cis-160.7168.25.3-12036.5000108.4
824T22.5Very low21.7Very low111 Ų111139.2 Ų139.268%0.68176%0.756SS**  cis-178128.5-26.330.10000111.4
825G21.9Very low21.8Very low77 Ų77137 Ų13779%0.79475%0.754SS**  trans76.4-175.8147.600000119.7
826S21.1Very low22.5Very low126 Ų126135.8 Ų135.888%0.88175%0.749SS**  cis176.9143.7-22.249.60000113.2
827G21.1Very low22.7Very low71 Ų71136.5 Ų136.573%0.73276%0.758SS**  trans125.4128.5167.800000112
828K21Very low23Very low218 Ų218136.1 Ų136.195%0.94877%0.765SS**  cis75.6107.538.2-67.9-163.3174.8-175.60115.3
829G20.3Very low23.2Very low76 Ų76134.2 Ų134.278%0.78477%0.774SS**  trans-144.9148.4159.500000109.6
830Y20.1Very low23.3Very low233 Ų233131.5 Ų131.591%0.91477%0.774SS**  trans-116142.5174.3-91.7-97.1000108.8
831T20.3Very low23.9Very low146 Ų146131.8 Ų131.890%0.89679%0.787SS**  trans-142.1143.2162.25.70000109.7
832V22.1Very low24.3Very low135 Ų135131.7 Ų131.782%0.81880%0.795SS**  trans-101.1131.7176.2175.20000107.9
833A23Very low24.6Very low95 Ų95128.5 Ų128.579%0.78579%0.786SS**  trans-117.9138.617000000109.6
834L21.3Very low25.1Very low167 Ų167129.4 Ų129.487%0.87479%0.789SS**  trans-89.3148.9162-7179.7000107.8
835D23.2Very low25.4Very low150 Ų150131.7 Ų131.780%0.80280%0.797SS**  trans-145138.1171.6-162.346.5000109.2
836P34.9Very low25.8Very low105 Ų105130.4 Ų130.468%0.68278%0.779SS**  trans-96.2126.5-157.434.7-32.5000114.2
837V26.8Very low26.2Very low139 Ų139129.3 Ų129.384%0.84277%0.769SS**  trans-127.130.7164.3-160.60000110.7S839V837-S839 VanDerWaalsContact C-N 3.3Å; V837-S839 PolarHBondContact O-N 2.89Å
838E27.1Very low26.7Very low196 Ų196133.1 Ų133.192%0.91677%0.772SS**  trans-88.662.1173.6-65.2-170.7157.700110.7
839S26Very low27.6Very low106 Ų106131.3 Ų131.374%0.74176%0.759SS**  trans-165.867.4175.136.70000113.5V837V837-S839 VanDerWaalsContact C-N 3.3Å; V837-S839 PolarHBondContact O-N 2.89Å
840C24.3Very low28.1Very low100 Ų100130 Ų13068%0.67674%0.736SS**  trans-143.2118.2160.5-970000110.5S842C840-S842 VanDerWaalsContact C-N 3.28Å; C840-S842 PolarHBondContact O-N 3.27Å
841S33.8Very low28.6Very low107 Ų107131.1 Ų131.175%0.74874%0.739SS**  trans-81.23.8-171.943.70000115L843S841-L843 VanDerWaalsContact C-N 3.32Å; S841-L843 PolarHBondContact O-N 3.1Å
842S31.3Very low29.1Very low107 Ų107127.1 Ų127.175%0.74872%0.717SS**THydrogen-bonded Turntrans-87.718.3-175.850.40000115.1C840C840-S842 VanDerWaalsContact C-N 3.28Å; C840-S842 PolarHBondContact O-N 3.27Å
843L29.4Very low30.1Very low108 Ų108126.6 Ų126.657%0.56571%0.714SS**THydrogen-bonded Turntrans-125.815.6-174.1-74.1174000114.7S841 D845 A846S841-L843 VanDerWaalsContact C-N 3.32Å; S841-L843 PolarHBondContact O-N 3.1Å; L843-D845 VanDerWaalsContact C-N 3.32Å; L843-D845 PolarHBondContact O-N 3.31Å; L843-A846 HydrophobicContact CD2-CB 4.34Å; L843-A846 PolarHBondContact O-N 3.19Å
844I35.4Very low30.7Very low144 Ų144132.5 Ų132.574%0.73872%0.716SS**THydrogen-bonded Turntrans-58.5-36.6-167.9-71.3174.1000113.8
845D28.7Very low31.4Very low159 Ų159128.9 Ų128.985%0.8570%0.697SS**THydrogen-bonded Turntrans-103.412-176.7-58.9-63.5000114.9L843 P847L843-D845 VanDerWaalsContact C-N 3.32Å; L843-D845 PolarHBondContact O-N 3.31Å; D845-P847 WeakPolarHBondContact O-CD 3.21Å
846A31.3Very low32.3Very low50 Ų50122.8 Ų122.841%0.41367%0.667SS.*SBendtrans-107.6103.4-176.900000112.2L843 L848L843-A846 HydrophobicContact CD2-CB 4.34Å; L843-A846 PolarHBondContact O-N 3.19Å; A846-L848 PolarHBondContact O-N 3.04Å
847P27.7Very low32.7Very low103 Ų103121.2 Ų121.267%0.66966%0.659SS**PPolyproline II helixtrans-64.7120.6-174.823.9-33.2000112.7D845D845-P847 WeakPolarHBondContact O-CD 3.21Å
848L32.7Very low33.5Very low152 Ų152121.7 Ų121.780%0.79665%0.65SS**PPolyproline II helixtrans-58.8132.9-170.5-65.6168.8000113.5A846 P850A846-L848 PolarHBondContact O-N 3.04Å; L848-P850 WeakPolarHBondContact O-CD 3.25Å
849R39Very low34.6Very low180 Ų180116.3 Ų116.368%0.67962%0.621SS**PPolyproline II helixtrans-86.7119.5179.3-174.9177.7178.5177.41.7111.4W859R849-W859 HydrophobicContact CG-CD2 4.47Å
850P32.2Very low35.5Very low47 Ų47113.4 Ų113.431%0.30560%0.603SS.*PPolyproline II helixtrans-65.3138.4-179.9-23.334.8000113.6L848 L855L848-P850 WeakPolarHBondContact O-CD 3.25Å; P850-L855 HydrophobicContact CB-CB 3.72Å; P850-L855 HydrophobicContact CB-CD1 3.94Å; P850-L855 HydrophobicContact CG-CB 4.27Å
851R29.7Very low36.6Very low257 Ų257110.9 Ų110.997%0.9759%0.589SS**SBendtrans-74.4-19.5-178.9-70.6-175.6177.4178.20.5115.1
852S30.9Very low37Very low62 Ų62110.7 Ų110.743%0.43458%0.58SS.*SBendtrans-76.5127.7179.6176.40000111.3R854 L855 A856S852-R854 PolarHBondContact O-N 3.15Å; S852-L855 CarbonylContact O-C 3.57Å; S852-L855 WeakPolarHBondContact O-CA 3.33Å; S852-L855 PolarHBondContact O-N 2.83Å; S852-A856 PolarHBondContact O-N 3.15Å
853V42.2Very low37.4Very low125 Ų125109.5 Ų109.576%0.75856%0.563SS**Hα-helixtrans-53.8-39.4-179.3-179.30000112.1L855 A856 S857V853-L855 VanDerWaalsContact C-N 3.29Å; V853-L855 PolarHBondContact O-N 3.2Å; V853-A856 PolarHBondContact O-N 2.75Å; V853-S857 PolarHBondContact O-N 3.41Å; V853-S857 PolarHBondContact O-OG 2.86Å
854R36.1Very low38Very low218 Ų218109.8 Ų109.882%0.82356%0.564SS**Hα-helixtrans-71.4-21.5179.7-157.8175-170.81763.4113.4S852 S857S852-R854 PolarHBondContact O-N 3.15Å; R854-S857 PolarHBondContact O-OG 3.31Å
855L37.2Very low38.1Very low91 Ų91111.1 Ų111.148%0.47656%0.564SS.*Hα-helixtrans-88.3-35.4169.3-67.9177.4000111.4P850 S852 V853 S857 K858 W859P850-L855 HydrophobicContact CB-CB 3.72Å; P850-L855 HydrophobicContact CB-CD1 3.94Å; P850-L855 HydrophobicContact CG-CB 4.27Å; S852-L855 CarbonylContact O-C 3.57Å; S852-L855 WeakPolarHBondContact O-CA 3.33Å; S852-L855 PolarHBondContact O-N 2.83Å; V853-L855 VanDerWaalsContact C-N 3.29Å; V853-L855 PolarHBondContact O-N 3.2Å; L855-S857 VanDerWaalsContact C-N 3.32Å; L855-S857 PolarHBondContact O-N 2.58Å; L855-K858 PolarHBondContact O-N 3.03Å; L855-W859 VanDerWaalsContact O-CB 3.28Å; L855-W859 WeakPolarHBondContact O-CB 3.31Å; L855-W859 PolarHBondContact O-N 3.49Å
856A41.9Very low38.2Very low22 Ų22108.5 Ų108.518%0.18255%0.554CS.*Hα-helixtrans-62.4-36.8177.800000112.6S852 V853 A860S852-A856 PolarHBondContact O-N 3.15Å; V853-A856 PolarHBondContact O-N 2.75Å; A856-A860 WeakPolarHBondContact O-CB 3.26Å; A856-A860 PolarHBondContact O-N 3.45Å
857S43.5Very low38.2Very low73 Ų73114.3 Ų114.351%0.5157%0.57SS.*Hα-helixtrans-67.9-42.6173.159.10000112.6V853 R854 L855 A860 A861V853-S857 PolarHBondContact O-N 3.41Å; V853-S857 PolarHBondContact O-OG 2.86Å; R854-S857 PolarHBondContact O-OG 3.31Å; L855-S857 VanDerWaalsContact C-N 3.32Å; L855-S857 PolarHBondContact O-N 2.58Å; S857-A860 PolarHBondContact O-N 2.62Å; S857-A861 WeakPolarHBondContact O-CB 3.4Å; S857-A861 PolarHBondContact O-N 3.08Å
858K43.3Very low38.2Very low148 Ų148116.5 Ų116.564%0.64358%0.575SS**Hα-helixtrans-63.1-39.3173-110.5-171.7175.4-172.10112.4L855 A861 N862L855-K858 PolarHBondContact O-N 3.03Å; K858-A861 PolarHBondContact O-N 2.76Å; K858-N862 PolarHBondContact O-N 3.29Å
859W51Low37.8Very low84 Ų84114.5 Ų114.532%0.31857%0.569SS.*Hα-helixtrans-65-45.1176.9-173.995.1000111.1R849 L855 N862 Q863R849-W859 HydrophobicContact CG-CD2 4.47Å; L855-W859 VanDerWaalsContact O-CB 3.28Å; L855-W859 WeakPolarHBondContact O-CB 3.31Å; L855-W859 PolarHBondContact O-N 3.49Å; W859-N862 PolarHBondContact O-N 3.48Å; W859-Q863 HydrophobicContact CD2-CG 4.28Å; W859-Q863 HydrophobicContact CE3-CG 4.03Å; W859-Q863 HydrophobicContact CH2-CG 4.12Å; W859-Q863 HydrophobicContact CZ2-CG 4.38Å; W859-Q863 HydrophobicContact CZ3-CG 3.95Å; W859-Q863 WeakPolarHBondContact O-CG 3.46Å; W859-Q863 PolarHBondContact O-N 3.06Å
860A44.5Very low37.3Very low44 Ų44113 Ų11336%0.36458%0.575SS.*Hα-helixtrans-62.7-4317400000112.4A856 S857 N862 Q863 I864A856-A860 WeakPolarHBondContact O-CB 3.26Å; A856-A860 PolarHBondContact O-N 3.45Å; S857-A860 PolarHBondContact O-N 2.62Å; A860-N862 VanDerWaalsContact C-N 3.29Å; A860-N862 PolarHBondContact O-N 3.06Å; A860-Q863 PolarHBondContact O-N 3.09Å; A860-I864 WeakPolarHBondContact O-CG1 3.34Å; A860-I864 PolarHBondContact O-N 3.36Å
861A46Very low37.1Very low47 Ų47116.5 Ų116.539%0.38860%0.595SS.*Hα-helixtrans-61.5-35.9175.500000112.7S857 K858 K865S857-A861 WeakPolarHBondContact O-CB 3.4Å; S857-A861 PolarHBondContact O-N 3.08Å; K858-A861 PolarHBondContact O-N 2.76Å; A861-K865 WeakPolarHBondContact O-CG 3.4Å; A861-K865 PolarHBondContact O-N 3.17Å; A861-K865 VanDerWaalsContact O-N 3.1Å
862N42.3Very low36.9Very low104 Ų104112.5 Ų112.556%0.55659%0.592SS**Hα-helixtrans-69.3-41.5173.9-78.68.4000112.3K858 W859 A860 I864 K865 T866K858-N862 PolarHBondContact O-N 3.29Å; W859-N862 PolarHBondContact O-N 3.48Å; A860-N862 VanDerWaalsContact C-N 3.29Å; A860-N862 PolarHBondContact O-N 3.06Å; N862-I864 VanDerWaalsContact C-N 3.27Å; N862-I864 PolarHBondContact O-N 3.25Å; N862-K865 PolarHBondContact O-N 2.91Å; N862-K865 VanDerWaalsContact O-N 3.12Å; N862-T866 PolarHBondContact O-N 3.03Å; N862-T866 PolarHBondContact O-OG1 3.26Å
863Q39.6Very low36.8Very low81 Ų81115.5 Ų115.538%0.37961%0.612SS.*Hα-helixtrans-60.6-35.4175.4-70.4-71.5-10.700112.6W859 A860 T866W859-Q863 HydrophobicContact CD2-CG 4.28Å; W859-Q863 HydrophobicContact CE3-CG 4.03Å; W859-Q863 HydrophobicContact CH2-CG 4.12Å; W859-Q863 HydrophobicContact CZ2-CG 4.38Å; W859-Q863 HydrophobicContact CZ3-CG 3.95Å; W859-Q863 WeakPolarHBondContact O-CG 3.46Å; W859-Q863 PolarHBondContact O-N 3.06Å; A860-Q863 PolarHBondContact O-N 3.09Å; Q863-T866 PolarHBondContact O-OG1 3.02Å; Q863-T866 VanDerWaalsContact O-OG1 3.11Å
864I43.8Very low36.1Very low114 Ų114118.4 Ų118.459%0.58562%0.617SS**Hα-helixtrans-68-44.1173.4-66.3164000110.4A860 N862 T866 K867A860-I864 WeakPolarHBondContact O-CG1 3.34Å; A860-I864 PolarHBondContact O-N 3.36Å; N862-I864 VanDerWaalsContact C-N 3.27Å; N862-I864 PolarHBondContact O-N 3.25Å; I864-T866 VanDerWaalsContact C-N 3.31Å; I864-T866 PolarHBondContact O-N 3.44Å; I864-K867 PolarHBondContact O-N 2.92Å
865K35.9Very low35.8Very low172 Ų172117.2 Ų117.275%0.74862%0.621SS**Hα-helixtrans-64-29.4179-79.3-170.6172.3-165.20114.4A861 N862A861-K865 WeakPolarHBondContact O-CG 3.4Å; A861-K865 PolarHBondContact O-N 3.17Å; A861-K865 VanDerWaalsContact O-N 3.1Å; N862-K865 PolarHBondContact O-N 2.91Å; N862-K865 VanDerWaalsContact O-N 3.12Å
866T31.4Very low35.7Very low104 Ų104117.4 Ų117.464%0.63862%0.622SS**THydrogen-bonded Turntrans-82.7-7.6-178.6470000114.9N862 Q863 I864N862-T866 PolarHBondContact O-N 3.03Å; N862-T866 PolarHBondContact O-OG1 3.26Å; Q863-T866 PolarHBondContact O-OG1 3.02Å; Q863-T866 VanDerWaalsContact O-OG1 3.11Å; I864-T866 VanDerWaalsContact C-N 3.31Å; I864-T866 PolarHBondContact O-N 3.44Å
867K31.9Very low35.5Very low173 Ų173121.3 Ų121.375%0.75265%0.646SS**THydrogen-bonded Turntrans-116.5-0.3-177.1-81.2-159.5167.6-157.70115.4I864 V869I864-K867 PolarHBondContact O-N 2.92Å; K867-V869 PolarHBondContact O-N 3.45Å
868L27.2Very low35.1Very low148 Ų148123 Ų12378%0.77565%0.649SS**  trans-85.644.1-172.6-153.2100.8000113.9
869V25.2Very low35Very low111 Ų111120.3 Ų120.367%0.67364%0.641SS**  trans-126.1123.1-176.3178.10000110.8K867K867-V869 PolarHBondContact O-N 3.45Å
870N27.5Very low34.7Very low148 Ų148122.1 Ų122.179%0.79166%0.656SS**  trans5990.9166.1-61-0.4000118
871T27.6Very low34.9Very low121 Ų121126.4 Ų126.474%0.74267%0.669SS**  trans-150.5116.4133.5-18.20000108.3
872L26.2Very low35.6Very low172 Ų172127 Ų12790%0.90167%0.665SS**  trans-118.6154.4173.7-87.9169.5000108.7
873C28Very low36.7Very low125 Ų125124.4 Ų124.485%0.84565%0.653SS**  trans-66.5132.8-165.4-51.70000114
874E28.7Very low38.3Very low186 Ų186126 Ų12687%0.86966%0.664SS**  trans-118.2150.6143.2-68.5-169.3145.100107.6D876E874-D876 PolarHBondContact O-N 3.28Å; E874-D876 VanDerWaalsContact O-N 3.14Å
875E28.4Very low39.7Very low193 Ų193125.1 Ų125.190%0.90266%0.658SS**  trans-84.689.1-171.4-65.5-170.9148.100111.7P877E875-P877 WeakPolarHBondContact O-CD 3.33Å
876D35.7Very low41.4Very low95 Ų95118.7 Ų118.751%0.50863%0.631SS.*  trans-70.5117.9-178-151.1-20.7000111.5E874 L878 L879E874-D876 PolarHBondContact O-N 3.28Å; E874-D876 VanDerWaalsContact O-N 3.14Å; D876-L878 PolarHBondContact O-N 3.15Å; D876-L879 HydrophobicContact CB-CD1 4.27Å; D876-L879 WeakPolarHBondContact O-CB 3.19Å; D876-L879 PolarHBondContact O-N 2.73Å
877P38.5Very low43.6Very low104 Ų104114.7 Ų114.768%0.67561%0.607SS**THydrogen-bonded Turntrans-58.3-24.9-175.5-26.935.8000114.3E875 L879 L880E875-P877 WeakPolarHBondContact O-CD 3.33Å; P877-L879 PolarHBondContact O-N 2.7Å; P877-L880 WeakPolarHBondContact O-CB 3.34Å; P877-L880 PolarHBondContact O-N 2.8Å
878L33.7Very low46Very low109 Ų109112.4 Ų112.457%0.57160%0.599SS**Hα-helixtrans-60.9-23.3174.4-72168.6000113.1D876 L880 N882D876-L878 PolarHBondContact O-N 3.15Å; L878-L880 VanDerWaalsContact C-N 3.34Å; L878-N882 PolarHBondContact O-ND2 3.42Å
879L41.7Very low48.6Very low92 Ų92107 Ų10748%0.48257%0.571SS.*Hα-helixtrans-67.8-35.6173.1-72.7164.4000111.6D876 P877 N882 T883D876-L879 HydrophobicContact CB-CD1 4.27Å; D876-L879 WeakPolarHBondContact O-CB 3.19Å; D876-L879 PolarHBondContact O-N 2.73Å; P877-L879 PolarHBondContact O-N 2.7Å; L879-N882 PolarHBondContact O-N 3.41Å; L879-T883 WeakPolarHBondContact O-CG2 3.26Å; L879-T883 PolarHBondContact O-N 3.04Å
880L44.7Very low51.3Low122 Ų122101.8 Ų101.864%0.63954%0.539SS*.Hα-helixtrans-68.4-50.7-173-164.367.3000111.8P877 L878 N882 T883 D884P877-L880 WeakPolarHBondContact O-CB 3.34Å; P877-L880 PolarHBondContact O-N 2.8Å; L878-L880 VanDerWaalsContact C-N 3.34Å; L880-N882 PolarHBondContact O-N 3.33Å; L880-T883 PolarHBondContact O-N 3.21Å; L880-T883 PolarHBondContact O-OG1 2.93Å; L880-D884 PolarHBondContact O-N 2.92Å
881E48.1Very low54.1Low133 Ų13397.2 Ų97.262%0.62152%0.515SS*.Hα-helixtrans-58.5-36.6175.3-68-166.3150.600112.4Q885E881-Q885 WeakPolarHBondContact O-CG 3.34Å; E881-Q885 PolarHBondContact O-N 3.5Å
882N60.7Low56.9Low60 Ų6096.3 Ų96.332%0.32151%0.505SS..Hα-helixtrans-67.9-36.2175.3-82.4-65.6000112L878 L879 L880 Q885 M886L878-N882 PolarHBondContact O-ND2 3.42Å; L879-N882 PolarHBondContact O-N 3.41Å; L880-N882 PolarHBondContact O-N 3.33Å; N882-Q885 PolarHBondContact O-N 2.98Å; N882-M886 HydrophobicContact CB-CE 4.49Å; N882-M886 WeakPolarHBondContact O-CB 3.02Å; N882-M886 VanDerWaalsContact O-CG 3.27Å; N882-M886 WeakPolarHBondContact O-CG 3.4Å; N882-M886 PolarHBondContact O-N 3.46Å
883T67.1Low59.7Low50 Ų5088.8 Ų88.831%0.30747%0.466SS..Hα-helixtrans-65.8-37.2178.354.70000113.5L879 L880 M886 S887 Y1042L879-T883 WeakPolarHBondContact O-CG2 3.26Å; L879-T883 PolarHBondContact O-N 3.04Å; L880-T883 PolarHBondContact O-N 3.21Å; L880-T883 PolarHBondContact O-OG1 2.93Å; T883-M886 PolarHBondContact O-N 3.42Å; T883-S887 VanDerWaalsContact O-CB 3.27Å; T883-S887 WeakPolarHBondContact O-CB 3.44Å; T883-S887 PolarHBondContact O-N 3.14Å; T883-Y1042 HydrophobicContact CG2-CE2 4.47Å; T883-Y1042 WeakPolarHBondContact O-CE2 3.19Å
884D72.4Confident62.5Low114 Ų11483.1 Ų83.161%0.6143%0.428SS*.Hα-helixtrans-67.5-43.6176.4-85.5-26.5000111.8L880 M886 S887 Q888L880-D884 PolarHBondContact O-N 2.92Å; D884-M886 PolarHBondContact O-N 3.39Å; D884-S887 WeakPolarHBondContact O-CB 3.37Å; D884-S887 PolarHBondContact O-N 2.73Å; D884-Q888 PolarHBondContact O-N 2.87Å
885Q73.2Confident65.3Low96 Ų9679.3 Ų79.345%0.44942%0.418SS..Hα-helixtrans-62.5-43.7175.4-66.6-177.537.400111.6E881 N882 Q888 I889E881-Q885 WeakPolarHBondContact O-CG 3.34Å; E881-Q885 PolarHBondContact O-N 3.5Å; N882-Q885 PolarHBondContact O-N 2.98Å; Q885-Q888 PolarHBondContact O-N 3.33Å; Q885-I889 WeakPolarHBondContact O-CB 3.49Å; Q885-I889 WeakPolarHBondContact O-CD1 3.46Å; Q885-I889 VanDerWaalsContact O-CG1 3.23Å; Q885-I889 WeakPolarHBondContact O-CG1 3.43Å; Q885-I889 PolarHBondContact O-N 3.09Å
886M71.3Confident68Low37 Ų3776.4 Ų76.418%0.18240%0.398CS..Hα-helixtrans-63.4-40.4174.7-72.5-174.8-165.400112.3N882 T883 D884 S890 I1028 Y1042 L1044N882-M886 HydrophobicContact CB-CE 4.49Å; N882-M886 WeakPolarHBondContact O-CB 3.02Å; N882-M886 VanDerWaalsContact O-CG 3.27Å; N882-M886 WeakPolarHBondContact O-CG 3.4Å; N882-M886 PolarHBondContact O-N 3.46Å; T883-M886 PolarHBondContact O-N 3.42Å; D884-M886 PolarHBondContact O-N 3.39Å; M886-S890 WeakPolarHBondContact O-CB 3.31Å; M886-S890 PolarHBondContact O-N 3.46Å; M886-I1028 HydrophobicContact CE-CG1 4.05Å; M886-Y1042 HydrophobicContact CB-CD2 3.82Å; M886-Y1042 HydrophobicContact CB-CE2 4.3Å; M886-L1044 HydrophobicContact CB-CD1 3.89Å; M886-L1044 HydrophobicContact CG-CD1 4.15Å
887S78.6Confident70.6Confident20 Ų2072 Ų7214%0.1438%0.375CS..Hα-helixtrans-60.7-48.5174.7-175.60000110.8T883 D884 S890 N891T883-S887 VanDerWaalsContact O-CB 3.27Å; T883-S887 WeakPolarHBondContact O-CB 3.44Å; T883-S887 PolarHBondContact O-N 3.14Å; D884-S887 WeakPolarHBondContact O-CB 3.37Å; D884-S887 PolarHBondContact O-N 2.73Å; S887-S890 WeakPolarHBondContact O-CB 3.46Å; S887-S890 PolarHBondContact O-N 2.99Å; S887-N891 WeakPolarHBondContact O-CB 3.49Å; S887-N891 PolarHBondContact O-N 2.83Å; S887-N891 PolarHBondContact O-ND2 3.16Å; S887-N891 VanDerWaalsContact O-ND2 3.09Å; S887-N891 PolarHBondContact O-OD1 3.2Å
888Q81.9Confident72.8Confident125 Ų12571 Ų7158%0.58436%0.358SS*.Hα-helixtrans-63.5-46179.2-167.1-175.224.500112.5D884 Q885 S890 N891 N892D884-Q888 PolarHBondContact O-N 2.87Å; Q885-Q888 PolarHBondContact O-N 3.33Å; Q888-S890 VanDerWaalsContact C-N 3.28Å; Q888-S890 PolarHBondContact O-N 2.99Å; Q888-N891 PolarHBondContact O-N 3.22Å; Q888-N892 WeakPolarHBondContact O-CB 3.48Å; Q888-N892 VanDerWaalsContact O-CG 3.25Å; Q888-N892 PolarHBondContact O-N 2.71Å; Q888-N892 PolarHBondContact O-ND2 3.19Å
889I81.5Confident75.2Confident35 Ų3567.1 Ų67.118%0.17935%0.345CS..Hα-helixtrans-57.2-44.3175.5-73.2167.8000110.6Q885 M893 F1024 L1027 L1044Q885-I889 WeakPolarHBondContact O-CB 3.49Å; Q885-I889 WeakPolarHBondContact O-CD1 3.46Å; Q885-I889 VanDerWaalsContact O-CG1 3.23Å; Q885-I889 WeakPolarHBondContact O-CG1 3.43Å; Q885-I889 PolarHBondContact O-N 3.09Å; I889-M893 WeakPolarHBondContact O-CB 3.42Å; I889-M893 PolarHBondContact O-N 3.48Å; I889-F1024 HydrophobicContact CG2-CB 4.46Å; I889-F1024 HydrophobicContact CG2-CD1 3.84Å; I889-F1024 HydrophobicContact CG2-CD2 3.37Å; I889-F1024 HydrophobicContact CG2-CE1 3.84Å; I889-F1024 HydrophobicContact CG2-CE2 3.39Å; I889-F1024 HydrophobicContact CG2-CG 3.62Å; I889-F1024 HydrophobicContact CG2-CZ 3.64Å; I889-L1027 HydrophobicContact CD1-CD1 3.43Å; I889-L1027 VanDerWaalsContact CD1-CD1 3.43Å; I889-L1044 HydrophobicContact CG2-CD1 4.41Å; I889-L1044 HydrophobicContact CG2-CD2 4.24Å
890S82.4Confident77.2Confident0 Ų063.4 Ų63.40%033%0.328CS..Hα-helixtrans-65.4-48.1177.2178.70000112.9M886 S887 Q888 N892 M893 A894 Y923 Y1042M886-S890 WeakPolarHBondContact O-CB 3.31Å; M886-S890 PolarHBondContact O-N 3.46Å; S887-S890 WeakPolarHBondContact O-CB 3.46Å; S887-S890 PolarHBondContact O-N 2.99Å; Q888-S890 VanDerWaalsContact C-N 3.28Å; Q888-S890 PolarHBondContact O-N 2.99Å; S890-N892 VanDerWaalsContact C-N 3.26Å; S890-N892 PolarHBondContact O-N 2.94Å; S890-M893 CarbonylContact O-C 3.44Å; S890-M893 WeakPolarHBondContact O-CB 3.3Å; S890-M893 PolarHBondContact O-N 3.2Å; S890-A894 WeakPolarHBondContact O-CB 3.29Å; S890-A894 PolarHBondContact O-N 3.02Å; S890-Y923 VanDerWaalsContact OG-CD2 3.22Å; S890-Y923 WeakPolarHBondContact OG-CD2 3.43Å; S890-Y923 WeakPolarHBondContact OG-CE2 3.32Å; S890-Y1042 VanDerWaalsContact CB-O 3.3Å; S890-Y1042 WeakPolarHBondContact CB-O 3.2Å; S890-Y1042 PolarHBondContact OG-O 3Å
891N86.8Confident79.1Confident53 Ų5357.6 Ų57.628%0.28330%0.297SS..Hα-helixtrans-60.2-37.8178.9-57.2-25.4000111.2S887 Q888 T895 Y923 K927S887-N891 WeakPolarHBondContact O-CB 3.49Å; S887-N891 PolarHBondContact O-N 2.83Å; S887-N891 PolarHBondContact O-ND2 3.16Å; S887-N891 VanDerWaalsContact O-ND2 3.09Å; S887-N891 PolarHBondContact O-OD1 3.2Å; Q888-N891 PolarHBondContact O-N 3.22Å; N891-T895 WeakPolarHBondContact O-CB 3.41Å; N891-T895 PolarHBondContact O-N 3.19Å; N891-T895 PolarHBondContact O-OG1 3.36Å; N891-Y923 PolarHBondContact OD1-OH 2.81Å; N891-K927 WeakPolarHBondContact OD1-CE 3.27Å; N891-K927 PolarHBondContact OD1-NZ 2.69Å
892N86Confident80.6Confident102 Ų10253.6 Ų53.655%0.54528%0.278SS..Hα-helixtrans-64.5-44.1173.2-72.3-23.6000112.1Q888 S890 T895 R896Q888-N892 WeakPolarHBondContact O-CB 3.48Å; Q888-N892 VanDerWaalsContact O-CG 3.25Å; Q888-N892 PolarHBondContact O-N 2.71Å; Q888-N892 PolarHBondContact O-ND2 3.19Å; S890-N892 VanDerWaalsContact C-N 3.26Å; S890-N892 PolarHBondContact O-N 2.94Å; N892-T895 PolarHBondContact O-N 3.29Å; N892-R896 PolarHBondContact O-N 3.39Å
893M85.1Confident81.4Confident13 Ų1353.4 Ų53.46%0.06428%0.275CS..Hα-helixtrans-65-43.7176.6-171164-176.200111.6L625 I889 S890 T895 R896 L897 W919 C1022 F1024 L1044L625-M893 HydrophobicContact CD2-CE 3.57Å; L625-M893 HydrophobicContact CG-CE 4.15Å; I889-M893 WeakPolarHBondContact O-CB 3.42Å; I889-M893 PolarHBondContact O-N 3.48Å; S890-M893 CarbonylContact O-C 3.44Å; S890-M893 WeakPolarHBondContact O-CB 3.3Å; S890-M893 PolarHBondContact O-N 3.2Å; M893-T895 PolarHBondContact O-N 2.8Å; M893-R896 PolarHBondContact O-N 3.14Å; M893-L897 HydrophobicContact CE-CD1 4.1Å; M893-L897 HydrophobicContact CG-CD1 3.79Å; M893-L897 HydrophobicContact CG-CG 4.27Å; M893-L897 WeakPolarHBondContact O-CB 3.2Å; M893-L897 VanDerWaalsContact O-CG 3.25Å; M893-L897 WeakPolarHBondContact O-CG 3.4Å; M893-L897 PolarHBondContact O-N 3.34Å; M893-W919 HydrophobicContact CB-CH2 3.93Å; M893-W919 HydrophobicContact CB-CZ2 3.97Å; M893-W919 HydrophobicContact CG-CH2 4.03Å; M893-W919 HydrophobicContact CG-CZ2 3.76Å; M893-W919 HydrophobicContact SD-CZ2 3.74Å; M893-C1022 VanDerWaalsContact SD-SG 3.6Å; M893-F1024 HydrophobicContact SD-CE2 3.94Å; M893-L1044 HydrophobicContact SD-CD2 4.5Å
894A86.8Confident81.9Confident7 Ų751 Ų516%0.05826%0.261CS..Hα-helixtrans-57.7-47.6175.500000111.8S890 R896 L897 Y898 W919 L920 Y923S890-A894 WeakPolarHBondContact O-CB 3.29Å; S890-A894 PolarHBondContact O-N 3.02Å; A894-R896 VanDerWaalsContact C-N 3.34Å; A894-R896 PolarHBondContact O-N 2.93Å; A894-L897 PolarHBondContact O-N 2.59Å; A894-Y898 VanDerWaalsContact O-CB 3.28Å; A894-Y898 WeakPolarHBondContact O-CB 3.46Å; A894-Y898 PolarHBondContact O-N 3.4Å; A894-W919 HydrophobicContact CB-CH2 4.05Å; A894-W919 HydrophobicContact CB-CZ3 3.69Å; A894-L920 HydrophobicContact CB-CD2 4.37Å; A894-Y923 HydrophobicContact CB-CD1 4.08Å; A894-Y923 HydrophobicContact CB-CD2 4Å; A894-Y923 HydrophobicContact CB-CE1 3.88Å; A894-Y923 HydrophobicContact CB-CE2 3.78Å; A894-Y923 HydrophobicContact CB-CG 4.15Å
895T86.8Confident81.8Confident106 Ų10646.8 Ų46.865%0.6524%0.24SC*.Hα-helixtrans-58-45.9177.6-57.10000111.5N891 N892 M893 Y898 G899N891-T895 WeakPolarHBondContact O-CB 3.41Å; N891-T895 PolarHBondContact O-N 3.19Å; N891-T895 PolarHBondContact O-OG1 3.36Å; N892-T895 PolarHBondContact O-N 3.29Å; M893-T895 PolarHBondContact O-N 2.8Å; T895-Y898 PolarHBondContact O-N 2.95Å; T895-G899 PolarHBondContact O-N 2.94Å; T895-G899 VanDerWaalsContact O-N 3.14Å
896R85.7Confident81.3Confident131 Ų13142.9 Ų42.949%0.49422%0.224SC..Hα-helixtrans-70-38.6-179.7-174.5170.5170.3-140.5-9.4113V620 E624 N892 M893 A894 G899 A900V620-R896 VanDerWaalsContact CG2-NH2 3.28Å; E624-R896 VanDerWaalsContact CD-NH1 3.32Å; E624-R896 IonicContact OE1-CZ 3.45Å; E624-R896 IonicContact OE1-NH1 2.75Å; E624-R896 PolarHBondContact OE1-NH1 3.09Å; E624-R896 IonicContact OE1-NH2 2.71Å; E624-R896 PolarHBondContact OE1-NH2 2.92Å; E624-R896 IonicContact OE2-CZ 3.28Å; E624-R896 IonicContact OE2-NH1 2.63Å; E624-R896 PolarHBondContact OE2-NH1 3.25Å; E624-R896 IonicContact OE2-NH2 3.13Å; N892-R896 PolarHBondContact O-N 3.39Å; M893-R896 PolarHBondContact O-N 3.14Å; A894-R896 VanDerWaalsContact C-N 3.34Å; A894-R896 PolarHBondContact O-N 2.93Å; R896-G899 PolarHBondContact O-N 3.26Å; R896-A900 PolarHBondContact O-N 3.23Å; R896-A900 VanDerWaalsContact O-N 3.12Å
897L88.8Confident81.4Confident3 Ų341.8 Ų41.82%0.01622%0.218CC..Hα-helixtrans-72.2-31.2176.1-68.5177.4000112.3V620 L625 M893 A894 A900 Y901 I916 W919 L920V620-L897 HydrophobicContact CG1-CD2 4.38Å; L625-L897 HydrophobicContact CD1-CD1 4.33Å; L625-L897 HydrophobicContact CD1-CD2 3.88Å; L625-L897 HydrophobicContact CD2-CD1 4.03Å; L625-L897 HydrophobicContact CG-CD2 4.47Å; M893-L897 HydrophobicContact CE-CD1 4.1Å; M893-L897 HydrophobicContact CG-CD1 3.79Å; M893-L897 HydrophobicContact CG-CG 4.27Å; M893-L897 WeakPolarHBondContact O-CB 3.2Å; M893-L897 VanDerWaalsContact O-CG 3.25Å; M893-L897 WeakPolarHBondContact O-CG 3.4Å; M893-L897 PolarHBondContact O-N 3.34Å; A894-L897 PolarHBondContact O-N 2.59Å; L897-A900 PolarHBondContact O-N 3.39Å; L897-Y901 VanDerWaalsContact O-CB 3.31Å; L897-Y901 WeakPolarHBondContact O-CB 3.19Å; L897-Y901 PolarHBondContact O-N 3.22Å; L897-I916 HydrophobicContact CB-CG2 4.41Å; L897-I916 HydrophobicContact CD2-CG1 4.29Å; L897-W919 HydrophobicContact CD1-CB 4.34Å; L897-W919 HydrophobicContact CD1-CD2 3.6Å; L897-W919 HydrophobicContact CD1-CE3 3.49Å; L897-W919 VanDerWaalsContact CD1-CE3 3.49Å; L897-W919 HydrophobicContact CD1-CG 3.98Å; L897-W919 HydrophobicContact CD1-CZ3 4.13Å; L897-L920 HydrophobicContact CB-CD1 4.44Å; L897-L920 HydrophobicContact CB-CD2 4.2Å; L897-L920 HydrophobicContact CB-CG 4.35Å
898Y86.6Confident81.2Confident82 Ų8242.2 Ų42.232%0.32222%0.22SC..Hα-helixtrans-66-40.9171.8-172-105.1000111.7A894 T895 A900 Y901 Q902 F936A894-Y898 VanDerWaalsContact O-CB 3.28Å; A894-Y898 WeakPolarHBondContact O-CB 3.46Å; A894-Y898 PolarHBondContact O-N 3.4Å; T895-Y898 PolarHBondContact O-N 2.95Å; Y898-A900 PolarHBondContact O-N 2.91Å; Y898-Y901 HydrophobicContact CD2-CD1 4.14Å; Y898-Y901 HydrophobicContact CE2-CD1 4.16Å; Y898-Y901 HydrophobicContact CE2-CE1 4.26Å; Y898-Y901 WeakPolarHBondContact O-CB 3.48Å; Y898-Y901 PolarHBondContact O-N 3.14Å; Y898-Q902 HydrophobicContact CD1-CG 4.37Å; Y898-Q902 HydrophobicContact CE1-CG 4.09Å; Y898-Q902 WeakPolarHBondContact O-CG 3.35Å; Y898-Q902 PolarHBondContact O-N 2.86Å; Y898-F936 HydrophobicContact CD2-CE1 4.44Å; Y898-F936 AromaticContact CD2-CZ 3.98Å; Y898-F936 HydrophobicContact CD2-CZ 3.98Å; Y898-F936 HydrophobicContact CE2-CZ 4.04Å
899G82.8Confident81.2Confident29 Ų2936.5 Ų36.530%0.29919%0.194SC..Hα-helixtrans-61.5-41.2170.800000113.2T895 R896 Q902 Q903T895-G899 PolarHBondContact O-N 2.94Å; T895-G899 VanDerWaalsContact O-N 3.14Å; R896-G899 PolarHBondContact O-N 3.26Å; G899-Q902 PolarHBondContact O-N 2.92Å; G899-Q903 PolarHBondContact O-N 3.45Å
900A84.9Confident81.2Confident14 Ų1435.1 Ų35.112%0.11619%0.187CC..Hα-helixtrans-64-41.6174.400000112.5L617 R896 L897 Y898 Q903 L904 I916L617-A900 HydrophobicContact CD1-CB 3.75Å; L617-A900 WeakPolarHBondContact CD1-O 3.32Å; L617-A900 HydrophobicContact CG-CB 4.05Å; R896-A900 PolarHBondContact O-N 3.23Å; R896-A900 VanDerWaalsContact O-N 3.12Å; L897-A900 PolarHBondContact O-N 3.39Å; Y898-A900 PolarHBondContact O-N 2.91Å; A900-Q903 PolarHBondContact O-N 2.97Å; A900-L904 PolarHBondContact O-N 2.93Å; A900-I916 HydrophobicContact CB-CD1 4.1Å
901Y84.2Confident81Confident0 Ų036.8 Ų36.80%020%0.196CC..Hα-helixtrans-60.7-42.1172.4171.4-98.3000112L897 Y898 Q903 L904 S905 L913 F936 Q939 P981L897-Y901 VanDerWaalsContact O-CB 3.31Å; L897-Y901 WeakPolarHBondContact O-CB 3.19Å; L897-Y901 PolarHBondContact O-N 3.22Å; Y898-Y901 HydrophobicContact CD2-CD1 4.14Å; Y898-Y901 HydrophobicContact CE2-CD1 4.16Å; Y898-Y901 HydrophobicContact CE2-CE1 4.26Å; Y898-Y901 WeakPolarHBondContact O-CB 3.48Å; Y898-Y901 PolarHBondContact O-N 3.14Å; Y901-Q903 PolarHBondContact O-N 3.29Å; Y901-L904 PolarHBondContact O-N 3.29Å; Y901-S905 PolarHBondContact O-N 3.16Å; Y901-L913 HydrophobicContact CD2-CD1 3.69Å; Y901-L913 HydrophobicContact CE2-CD1 4.24Å; Y901-F936 AromaticContact CD1-CE1 3.9Å; Y901-F936 HydrophobicContact CD1-CE1 3.9Å; Y901-F936 HydrophobicContact CD2-CD1 4.24Å; Y901-F936 HydrophobicContact CD2-CE1 4.01Å; Y901-F936 HydrophobicContact CE1-CD1 4.38Å; Y901-F936 AromaticContact CE1-CE1 3.51Å; Y901-F936 HydrophobicContact CE1-CE1 3.51Å; Y901-F936 HydrophobicContact CE1-CZ 4.21Å; Y901-F936 AromaticContact CE2-CD1 3.73Å; Y901-F936 HydrophobicContact CE2-CD1 3.73Å; Y901-F936 AromaticContact CE2-CE1 3.66Å; Y901-F936 HydrophobicContact CE2-CE1 3.66Å; Y901-F936 HydrophobicContact CG-CE1 4.11Å; Y901-F936 AromaticContact CZ-CD1 3.77Å; Y901-F936 AromaticContact CZ-CE1 3.35Å; Y901-Q939 PolarHBondContact OH-OE1 3.33Å; Y901-P981 HydrophobicContact CD1-CB 4.15Å; Y901-P981 HydrophobicContact CE1-CB 3.58Å; Y901-P981 HydrophobicContact CE2-CB 3.99Å; Y901-P981 VanDerWaalsContact OH-CA 3.31Å; Y901-P981 WeakPolarHBondContact OH-CA 3.37Å
902Q78.3Confident80.9Confident48 Ų4835 Ų3522%0.22419%0.187CC..Hα-helixtrans-65.1-34.4174.4-75.5-177.4-42.800113.1Y898 G899 S905Y898-Q902 HydrophobicContact CD1-CG 4.37Å; Y898-Q902 HydrophobicContact CE1-CG 4.09Å; Y898-Q902 WeakPolarHBondContact O-CG 3.35Å; Y898-Q902 PolarHBondContact O-N 2.86Å; G899-Q902 PolarHBondContact O-N 2.92Å; Q902-S905 VanDerWaalsContact O-CB 3.26Å; Q902-S905 WeakPolarHBondContact O-CB 3.34Å; Q902-S905 PolarHBondContact O-N 3.35Å; Q902-S905 PolarHBondContact O-OG 2.98Å
903Q77.5Confident80.9Confident56 Ų5630.4 Ų30.426%0.26216%0.162SC..Hα-helixtrans-69.7-48.5173.3-73.1-176.4-2600111.8W613 G899 A900 Y901 S905 S906W613-Q903 HydrophobicContact CE3-CB 4.15Å; W613-Q903 HydrophobicContact CZ3-CB 4.1Å; G899-Q903 PolarHBondContact O-N 3.45Å; A900-Q903 PolarHBondContact O-N 2.97Å; Y901-Q903 PolarHBondContact O-N 3.29Å; Q903-S905 PolarHBondContact O-N 3.41Å; Q903-S905 VanDerWaalsContact O-N 3.13Å; Q903-S906 PolarHBondContact O-N 3.13Å; Q903-S906 PolarHBondContact O-OG 3.24Å
904L79.6Confident81Confident0 Ų031 Ų310%016%0.163CC..Hα-helixtrans-62.1-15.8173.6-72.4175.4000113.5W613 L614 L617 A900 Y901 S906 F907 P908 V909 L912 L913 I916W613-L904 HydrophobicContact CH2-CD2 4.49Å; W613-L904 HydrophobicContact CZ3-CD2 4.28Å; L614-L904 HydrophobicContact CD1-CD2 4.12Å; L617-L904 HydrophobicContact CD1-CD1 4.06Å; L617-L904 HydrophobicContact CD1-CD2 4.25Å; L617-L904 HydrophobicContact CD1-CG 3.72Å; L617-L904 HydrophobicContact CD2-CD1 3.83Å; L617-L904 HydrophobicContact CD2-CD2 4.41Å; L617-L904 HydrophobicContact CD2-CG 4.24Å; A900-L904 PolarHBondContact O-N 2.93Å; Y901-L904 PolarHBondContact O-N 3.29Å; L904-S906 PolarHBondContact O-N 3.47Å; L904-F907 CarbonylContact O-C 3.19Å; L904-F907 PolarHBondContact O-N 3.32Å; L904-F907 VanDerWaalsContact O-O 3.14Å; L904-P908 WeakPolarHBondContact O-CA 3.42Å; L904-V909 HydrophobicContact CD2-CB 4.04Å; L904-V909 HydrophobicContact CD2-CG2 4.01Å; L904-L912 HydrophobicContact CD1-CB 4.11Å; L904-L913 HydrophobicContact CB-CD1 4.3Å; L904-L913 HydrophobicContact CD1-CB 4.12Å; L904-L913 HydrophobicContact CD1-CD1 4.16Å; L904-I916 HydrophobicContact CD1-CD1 3.83Å
905S68.2Low80.9Confident25 Ų2530.7 Ų30.718%0.17516%0.161CC..THydrogen-bonded Turntrans-57.8-33.5-179.774.90000113.6F252 Y901 Q902 Q903 P981F252-S905 VanDerWaalsContact CE2-OG 3.26Å; F252-S905 WeakPolarHBondContact CE2-OG 3.42Å; Y901-S905 PolarHBondContact O-N 3.16Å; Q902-S905 VanDerWaalsContact O-CB 3.26Å; Q902-S905 WeakPolarHBondContact O-CB 3.34Å; Q902-S905 PolarHBondContact O-N 3.35Å; Q902-S905 PolarHBondContact O-OG 2.98Å; Q903-S905 PolarHBondContact O-N 3.41Å; Q903-S905 VanDerWaalsContact O-N 3.13Å; S905-P981 VanDerWaalsContact CB-CB 3.49Å
906S63.5Low81Confident15 Ų1525.7 Ų25.711%0.10513%0.13CC..THydrogen-bonded Turntrans-83.2-19.6179.565.90000113.9A250 Q903 L904A250-S906 WeakPolarHBondContact CB-OG 3.27Å; Q903-S906 PolarHBondContact O-N 3.13Å; Q903-S906 PolarHBondContact O-OG 3.24Å; L904-S906 PolarHBondContact O-N 3.47Å
907F74.1Confident81.2Confident13 Ų1319.4 Ų19.46%0.05711%0.107CC..SBendtrans-15383.9-175.1-174.2-107.6000109.5P274 L378 L381 W611 L614 L904 V909P274-F907 HydrophobicContact CB-CD2 4.25Å; P274-F907 HydrophobicContact CG-CD2 4.2Å; L378-F907 HydrophobicContact CD2-CD2 4.31Å; L378-F907 HydrophobicContact CD2-CE1 4.37Å; L378-F907 HydrophobicContact CD2-CE2 3.41Å; L378-F907 VanDerWaalsContact CD2-CE2 3.41Å; L378-F907 HydrophobicContact CD2-CZ 3.45Å; L378-F907 VanDerWaalsContact CD2-CZ 3.45Å; L381-F907 HydrophobicContact CB-CE1 4.11Å; L381-F907 HydrophobicContact CB-CZ 4.08Å; L381-F907 HydrophobicContact CD1-CE1 3.66Å; L381-F907 HydrophobicContact CD1-CZ 3.91Å; W611-F907 HydrophobicContact CH2-CD1 4.06Å; W611-F907 AromaticContact CH2-CE1 3.67Å; W611-F907 HydrophobicContact CH2-CE1 3.67Å; W611-F907 HydrophobicContact CH2-CZ 4.02Å; W611-F907 AromaticContact CZ3-CD1 3.74Å; W611-F907 HydrophobicContact CZ3-CD1 3.74Å; W611-F907 AromaticContact CZ3-CE1 3.74Å; W611-F907 HydrophobicContact CZ3-CE1 3.74Å; W611-F907 HydrophobicContact CZ3-CG 4.48Å; L614-F907 HydrophobicContact CD2-CE1 4.5Å; L904-F907 CarbonylContact O-C 3.19Å; L904-F907 PolarHBondContact O-N 3.32Å; L904-F907 VanDerWaalsContact O-O 3.14Å; F907-V909 HydrophobicContact CD1-CG2 3.69Å; F907-V909 HydrophobicContact CE1-CG2 3.51Å; F907-V909 PolarHBondContact O-N 3.24Å; F907-V909 VanDerWaalsContact O-N 3.16Å
908P73.8Confident81.1Confident29 Ų2919.3 Ų19.319%0.18811%0.106CC..  trans-72.4111.3-172.827.2-34.3000111L382 L904 P910 L913 I943 T947L382-P908 WeakPolarHBondContact CD2-O 3.36Å; L904-P908 WeakPolarHBondContact O-CA 3.42Å; P908-P910 WeakPolarHBondContact O-CD 3.46Å; P908-L913 HydrophobicContact CB-CD2 3.98Å; P908-I943 HydrophobicContact CB-CG2 4.01Å; P908-T947 HydrophobicContact CG-CG2 4.22Å
909V82.6Confident81.2Confident5 Ų515.4 Ų15.43%0.039%0.091CC..  trans-96.7103.9171.8-178.80000108.4L381 L614 L904 F907 N911 L912 L913L381-V909 HydrophobicContact CB-CG2 4.35Å; L381-V909 HydrophobicContact CD2-CG1 4.48Å; L614-V909 HydrophobicContact CD1-CG2 4.27Å; L614-V909 HydrophobicContact CD2-CG2 4.16Å; L904-V909 HydrophobicContact CD2-CB 4.04Å; L904-V909 HydrophobicContact CD2-CG2 4.01Å; F907-V909 HydrophobicContact CD1-CG2 3.69Å; F907-V909 HydrophobicContact CE1-CG2 3.51Å; F907-V909 PolarHBondContact O-N 3.24Å; F907-V909 VanDerWaalsContact O-N 3.16Å; V909-N911 VanDerWaalsContact C-N 3.31Å; V909-N911 PolarHBondContact O-N 3.18Å; V909-L912 HydrophobicContact CB-CB 4.39Å; V909-L912 HydrophobicContact CB-CD1 4.18Å; V909-L912 HydrophobicContact CB-CG 4.4Å; V909-L912 HydrophobicContact CG1-CB 4.33Å; V909-L912 HydrophobicContact CG1-CD1 3.85Å; V909-L912 HydrophobicContact CG1-CG 3.9Å; V909-L912 PolarHBondContact O-N 3.3Å; V909-L913 WeakPolarHBondContact O-CB 3.48Å; V909-L913 PolarHBondContact O-N 3.02Å
910P80.2Confident81.5Confident7 Ų714.1 Ų14.15%0.0458%0.077CC..Hα-helixtrans-56.9-41.2-167.8-28.436.7000114.1L381 P908 L912 L913 R914 I943L381-P910 WeakPolarHBondContact O-CD 3.49Å; P908-P910 WeakPolarHBondContact O-CD 3.46Å; P910-L912 PolarHBondContact O-N 2.9Å; P910-L913 PolarHBondContact O-N 2.79Å; P910-R914 WeakPolarHBondContact O-CB 3.34Å; P910-R914 PolarHBondContact O-N 2.98Å; P910-I943 HydrophobicContact CB-CB 4.09Å; P910-I943 HydrophobicContact CB-CD1 4.18Å; P910-I943 HydrophobicContact CB-CG2 4.26Å; P910-I943 HydrophobicContact CG-CB 4.13Å; P910-I943 HydrophobicContact CG-CG2 3.92Å
911N78.3Confident81.7Confident35 Ų3513.5 Ų13.519%0.1877%0.071CC..Hα-helixtrans-65.2-18.1-178.6-63.7-5000113.8F421 V909F421-N911 WeakPolarHBondContact CD1-ND2 3.5Å; F421-N911 HydrophobicContact CE1-CB 4.09Å; V909-N911 VanDerWaalsContact C-N 3.31Å; V909-N911 PolarHBondContact O-N 3.18Å
912L85.5Confident81.9Confident16 Ų1613.8 Ų13.88%0.0847%0.073CC..Hα-helixtrans-104.7-38.6177.3-59177.2000111.1L614 L617 T618 V621 L904 V909 P910 P915 I916L614-L912 HydrophobicContact CD1-CD1 3.56Å; L617-L912 HydrophobicContact CD2-CB 3.95Å; L617-L912 HydrophobicContact CD2-CD1 3.85Å; L617-L912 HydrophobicContact CD2-CG 4.39Å; T618-L912 HydrophobicContact CG2-CD2 4.24Å; T618-L912 WeakPolarHBondContact OG1-CD1 3.32Å; V621-L912 HydrophobicContact CB-CD2 4.08Å; V621-L912 HydrophobicContact CG1-CD2 4.18Å; V621-L912 HydrophobicContact CG2-CB 4.44Å; V621-L912 HydrophobicContact CG2-CD2 4.24Å; L904-L912 HydrophobicContact CD1-CB 4.11Å; V909-L912 HydrophobicContact CB-CB 4.39Å; V909-L912 HydrophobicContact CB-CD1 4.18Å; V909-L912 HydrophobicContact CB-CG 4.4Å; V909-L912 HydrophobicContact CG1-CB 4.33Å; V909-L912 HydrophobicContact CG1-CD1 3.85Å; V909-L912 HydrophobicContact CG1-CG 3.9Å; V909-L912 PolarHBondContact O-N 3.3Å; P910-L912 PolarHBondContact O-N 2.9Å; L912-P915 WeakPolarHBondContact O-CD 3.5Å; L912-P915 WeakPolarHBondContact O-CG 3.41Å; L912-I916 WeakPolarHBondContact O-CD1 3.27Å; L912-I916 VanDerWaalsContact O-CG1 3.28Å; L912-I916 WeakPolarHBondContact O-CG1 3.49Å
913L85.6Confident82.3Confident5 Ų512.6 Ų12.63%0.0267%0.067CC..Hα-helixtrans-69.8-36.3-179.1-172.961.5000112.3Y901 L904 P908 V909 P910 I916 C917 I943Y901-L913 HydrophobicContact CD2-CD1 3.69Å; Y901-L913 HydrophobicContact CE2-CD1 4.24Å; L904-L913 HydrophobicContact CB-CD1 4.3Å; L904-L913 HydrophobicContact CD1-CB 4.12Å; L904-L913 HydrophobicContact CD1-CD1 4.16Å; P908-L913 HydrophobicContact CB-CD2 3.98Å; V909-L913 WeakPolarHBondContact O-CB 3.48Å; V909-L913 PolarHBondContact O-N 3.02Å; P910-L913 PolarHBondContact O-N 2.79Å; L913-I916 PolarHBondContact O-N 3.22Å; L913-C917 VanDerWaalsContact CD1-SG 3.59Å; L913-C917 VanDerWaalsContact O-CB 3.31Å; L913-C917 WeakPolarHBondContact O-CB 3.37Å; L913-C917 PolarHBondContact O-N 2.76Å; L913-C917 PolarHBondContact O-SG 3.05Å; L913-I943 HydrophobicContact CB-CD1 4.01Å; L913-I943 HydrophobicContact CD2-CD1 4.11Å; L913-I943 HydrophobicContact CD2-CG1 4.47Å; L913-I943 HydrophobicContact CD2-CG2 4.11Å; L913-I943 HydrophobicContact CG-CD1 4.12Å
914R86.7Confident82.8Confident25 Ų2513.6 Ų13.69%0.0947%0.068CC..Hα-helixtrans-54.1-60.2176.7178.4178.3-162.1-99.80.9113P910 I916 C917 Q918 A940 I943 L1016 D1018 E1019 D1165P910-R914 WeakPolarHBondContact O-CB 3.34Å; P910-R914 PolarHBondContact O-N 2.98Å; R914-I916 VanDerWaalsContact C-N 3.31Å; R914-I916 PolarHBondContact O-N 2.97Å; R914-C917 PolarHBondContact O-N 3.38Å; R914-Q918 HydrophobicContact CG-CG 4.39Å; R914-Q918 VanDerWaalsContact CZ-NE2 3.27Å; R914-Q918 WeakPolarHBondContact O-CG 3.47Å; R914-Q918 PolarHBondContact O-N 3.32Å; R914-A940 WeakPolarHBondContact CG-O 3.41Å; R914-I943 HydrophobicContact CB-CD1 4.43Å; R914-L1016 PolarHBondContact NH2-O 3.32Å; R914-D1018 IonicContact NH1-OD1 2.75Å; R914-E1019 IonicContact CZ-OE2 2.76Å; R914-E1019 IonicContact NH1-OE1 2.74Å; R914-E1019 IonicContact NH1-OE2 3.53Å; R914-E1019 PolarHBondContact NH1-OE2 3.38Å; R914-D1165 IonicContact CZ-OD1 2.68Å; R914-D1165 IonicContact CZ-OD2 3.64Å; R914-D1165 IonicContact NE-OD1 2.66Å; R914-D1165 IonicContact NH2-OD1 3.22Å; R914-D1165 PolarHBondContact NH2-OD1 3.14Å; R914-D1165 IonicContact NH2-OD2 3.56Å; R914-D1165 PolarHBondContact NH2-OD2 3.26Å
915P85.8Confident83.2Confident1 Ų115 Ų151%0.0068%0.075CC..Hα-helixtrans-64.7-32.6-178.824.5-34.7000113V621 L625 L626 L912 W919 L1020V621-P915 HydrophobicContact CG1-CB 4.32Å; V621-P915 HydrophobicContact CG1-CG 3.52Å; L625-P915 HydrophobicContact CD1-CB 4.3Å; L626-P915 HydrophobicContact CD2-CB 4.22Å; L912-P915 WeakPolarHBondContact O-CD 3.5Å; L912-P915 WeakPolarHBondContact O-CG 3.41Å; P915-W919 WeakPolarHBondContact O-CB 3.21Å; P915-W919 PolarHBondContact O-N 2.84Å; P915-L1020 HydrophobicContact CB-CD2 3.7Å
916I88.4Confident83.8Confident0 Ų015.5 Ų15.50%08%0.084CC..Hα-helixtrans-62.5-48.2173.5-67171.9000110.6L617 V621 L625 L897 A900 L904 L912 L913 R914 W919 L920L617-I916 HydrophobicContact CD2-CD1 4.04Å; V621-I916 HydrophobicContact CG2-CD1 3.75Å; V621-I916 HydrophobicContact CG2-CG1 3.9Å; L625-I916 HydrophobicContact CD1-CG1 4.01Å; L897-I916 HydrophobicContact CB-CG2 4.41Å; L897-I916 HydrophobicContact CD2-CG1 4.29Å; A900-I916 HydrophobicContact CB-CD1 4.1Å; L904-I916 HydrophobicContact CD1-CD1 3.83Å; L912-I916 WeakPolarHBondContact O-CD1 3.27Å; L912-I916 VanDerWaalsContact O-CG1 3.28Å; L912-I916 WeakPolarHBondContact O-CG1 3.49Å; L913-I916 PolarHBondContact O-N 3.22Å; R914-I916 VanDerWaalsContact C-N 3.31Å; R914-I916 PolarHBondContact O-N 2.97Å; I916-W919 PolarHBondContact O-N 3.17Å; I916-L920 HydrophobicContact CG2-CD1 3.81Å; I916-L920 WeakPolarHBondContact O-CB 3.4Å; I916-L920 WeakPolarHBondContact O-CG 3.26Å; I916-L920 PolarHBondContact O-N 3.3Å
917C88.9Confident84.8Confident0 Ų018.5 Ų18.50%010%0.096CC..Hα-helixtrans-68.1-38.3179.2-68.90000112.8L913 R914 G921 F936 A940L913-C917 VanDerWaalsContact CD1-SG 3.59Å; L913-C917 VanDerWaalsContact O-CB 3.31Å; L913-C917 WeakPolarHBondContact O-CB 3.37Å; L913-C917 PolarHBondContact O-N 2.76Å; L913-C917 PolarHBondContact O-SG 3.05Å; R914-C917 PolarHBondContact O-N 3.38Å; C917-G921 PolarHBondContact O-N 3.39Å; C917-F936 WeakPolarHBondContact CB-O 3.2Å; C917-F936 WeakPolarHBondContact O-CB 3.3Å; C917-A940 HydrophobicContact CB-CB 3.97Å
918Q88.6Confident85.2Confident0 Ų020.4 Ų20.40%012%0.118CC..Hα-helixtrans-62.7-44.4173.3-72.7-172.1-23.400111.4R914 G921 I922 A940 C1015 L1016 V1017 L1020R914-Q918 HydrophobicContact CG-CG 4.39Å; R914-Q918 VanDerWaalsContact CZ-NE2 3.27Å; R914-Q918 WeakPolarHBondContact O-CG 3.47Å; R914-Q918 PolarHBondContact O-N 3.32Å; Q918-G921 PolarHBondContact O-N 2.93Å; Q918-I922 WeakPolarHBondContact O-CD1 3.26Å; Q918-I922 VanDerWaalsContact O-CG1 3.27Å; Q918-I922 WeakPolarHBondContact O-CG1 3.18Å; Q918-I922 PolarHBondContact O-N 3.38Å; Q918-A940 HydrophobicContact CG-CB 3.8Å; Q918-C1015 PolarHBondContact NE2-SG 2.8Å; Q918-L1016 PolarHBondContact NE2-O 3.36Å; Q918-V1017 HydrophobicContact CB-CG2 4.11Å; Q918-V1017 HydrophobicContact CG-CG2 4.03Å; Q918-L1020 HydrophobicContact CB-CD1 3.73Å; Q918-L1020 HydrophobicContact CB-CG 4.37Å
919W88.8Confident85.8Confident1 Ų121.5 Ų21.50%0.00412%0.123CC..Hα-helixtrans-67.3-46.7179.9-168.698.7000111.6L625 M893 A894 L897 P915 I916 G921 I922 Y923 L1020 G1043 L1044L625-W919 HydrophobicContact CD2-CB 3.73Å; L625-W919 HydrophobicContact CD2-CD2 4.45Å; L625-W919 HydrophobicContact CD2-CG 3.55Å; M893-W919 HydrophobicContact CB-CH2 3.93Å; M893-W919 HydrophobicContact CB-CZ2 3.97Å; M893-W919 HydrophobicContact CG-CH2 4.03Å; M893-W919 HydrophobicContact CG-CZ2 3.76Å; M893-W919 HydrophobicContact SD-CZ2 3.74Å; A894-W919 HydrophobicContact CB-CH2 4.05Å; A894-W919 HydrophobicContact CB-CZ3 3.69Å; L897-W919 HydrophobicContact CD1-CB 4.34Å; L897-W919 HydrophobicContact CD1-CD2 3.6Å; L897-W919 HydrophobicContact CD1-CE3 3.49Å; L897-W919 VanDerWaalsContact CD1-CE3 3.49Å; L897-W919 HydrophobicContact CD1-CG 3.98Å; L897-W919 HydrophobicContact CD1-CZ3 4.13Å; P915-W919 WeakPolarHBondContact O-CB 3.21Å; P915-W919 PolarHBondContact O-N 2.84Å; I916-W919 PolarHBondContact O-N 3.17Å; W919-G921 VanDerWaalsContact C-N 3.33Å; W919-G921 PolarHBondContact O-N 2.69Å; W919-I922 PolarHBondContact O-N 2.74Å; W919-Y923 AromaticContact CH2-CD2 3.86Å; W919-Y923 HydrophobicContact CH2-CD2 3.86Å; W919-Y923 HydrophobicContact CH2-CG 4.22Å; W919-Y923 AromaticContact CZ3-CD2 3.98Å; W919-Y923 HydrophobicContact CZ3-CD2 3.98Å; W919-Y923 AromaticContact CZ3-CG 3.88Å; W919-Y923 HydrophobicContact CZ3-CG 3.88Å; W919-Y923 WeakPolarHBondContact O-CB 3.33Å; W919-Y923 PolarHBondContact O-N 2.87Å; W919-L1020 HydrophobicContact CB-CD1 3.99Å; W919-G1043 PolarHBondContact NE1-O 2.84Å; W919-G1043 VanDerWaalsContact NE1-O 3.15Å; W919-L1044 HydrophobicContact CZ2-CD2 4.27Å
920L88.9Confident86Confident2 Ų224.3 Ų24.31%0.0114%0.136CC..Hα-helixtrans-64-38.1176.9-70.7171.1000111.9A894 L897 I916 Y923 W924 F936A894-L920 HydrophobicContact CB-CD2 4.37Å; L897-L920 HydrophobicContact CB-CD1 4.44Å; L897-L920 HydrophobicContact CB-CD2 4.2Å; L897-L920 HydrophobicContact CB-CG 4.35Å; I916-L920 HydrophobicContact CG2-CD1 3.81Å; I916-L920 WeakPolarHBondContact O-CB 3.4Å; I916-L920 WeakPolarHBondContact O-CG 3.26Å; I916-L920 PolarHBondContact O-N 3.3Å; L920-Y923 PolarHBondContact O-N 2.9Å; L920-W924 PolarHBondContact O-N 3.34Å; L920-F936 HydrophobicContact CB-CB 4.21Å; L920-F936 HydrophobicContact CB-CD1 3.76Å; L920-F936 HydrophobicContact CB-CD2 3.98Å; L920-F936 HydrophobicContact CB-CE1 4.1Å; L920-F936 HydrophobicContact CB-CE2 4.35Å; L920-F936 HydrophobicContact CB-CG 3.71Å; L920-F936 HydrophobicContact CB-CZ 4.4Å; L920-F936 HydrophobicContact CD1-CD1 3.84Å; L920-F936 HydrophobicContact CD1-CE1 3.54Å; L920-F936 HydrophobicContact CD1-CZ 4.13Å; L920-F936 HydrophobicContact CG-CD1 4.46Å; L920-F936 HydrophobicContact CG-CE1 4.42Å
921G88.8Confident86.2Confident0 Ų026.9 Ų26.90%015%0.149CC..Hα-helixtrans-61.2-44.3174.700000112.9C917 Q918 W919 L925 A933C917-G921 PolarHBondContact O-N 3.39Å; Q918-G921 PolarHBondContact O-N 2.93Å; W919-G921 VanDerWaalsContact C-N 3.33Å; W919-G921 PolarHBondContact O-N 2.69Å; G921-L925 WeakPolarHBondContact O-CB 3.25Å; G921-L925 PolarHBondContact O-N 3.49Å; G921-A933 WeakPolarHBondContact O-CB 3.2Å
922I87.6Confident86.5Confident7 Ų725.8 Ų25.84%0.03614%0.143CC..Hα-helixtrans-66.8-42.4174.5-65.2164.4000111.3Q918 W919 W924 L925 G926 V1017 L1020 I1039 L1053Q918-I922 WeakPolarHBondContact O-CD1 3.26Å; Q918-I922 VanDerWaalsContact O-CG1 3.27Å; Q918-I922 WeakPolarHBondContact O-CG1 3.18Å; Q918-I922 PolarHBondContact O-N 3.38Å; W919-I922 PolarHBondContact O-N 2.74Å; I922-W924 PolarHBondContact O-N 2.81Å; I922-L925 PolarHBondContact O-N 2.82Å; I922-G926 PolarHBondContact O-N 3.03Å; I922-V1017 HydrophobicContact CD1-CG1 4.1Å; I922-V1017 HydrophobicContact CD1-CG2 4.21Å; I922-L1020 HydrophobicContact CD1-CD1 4.03Å; I922-I1039 HydrophobicContact CG2-CG2 3.36Å; I922-L1053 HydrophobicContact CG1-CD2 4.09Å
923Y87.6Confident86.5Confident23 Ų2325 Ų259%0.0914%0.139CC..Hα-helixtrans-55.8-50.2177.5167.4-93.4000111.5S890 N891 A894 W919 L920 G926 K927S890-Y923 VanDerWaalsContact OG-CD2 3.22Å; S890-Y923 WeakPolarHBondContact OG-CD2 3.43Å; S890-Y923 WeakPolarHBondContact OG-CE2 3.32Å; N891-Y923 PolarHBondContact OD1-OH 2.81Å; A894-Y923 HydrophobicContact CB-CD1 4.08Å; A894-Y923 HydrophobicContact CB-CD2 4Å; A894-Y923 HydrophobicContact CB-CE1 3.88Å; A894-Y923 HydrophobicContact CB-CE2 3.78Å; A894-Y923 HydrophobicContact CB-CG 4.15Å; W919-Y923 AromaticContact CH2-CD2 3.86Å; W919-Y923 HydrophobicContact CH2-CD2 3.86Å; W919-Y923 HydrophobicContact CH2-CG 4.22Å; W919-Y923 AromaticContact CZ3-CD2 3.98Å; W919-Y923 HydrophobicContact CZ3-CD2 3.98Å; W919-Y923 AromaticContact CZ3-CG 3.88Å; W919-Y923 HydrophobicContact CZ3-CG 3.88Å; W919-Y923 WeakPolarHBondContact O-CB 3.33Å; W919-Y923 PolarHBondContact O-N 2.87Å; L920-Y923 PolarHBondContact O-N 2.9Å; Y923-G926 PolarHBondContact O-N 2.88Å; Y923-K927 HydrophobicContact CE1-CG 4.27Å; Y923-K927 VanDerWaalsContact CE2-CE 3.49Å; Y923-K927 HydrophobicContact CE2-CG 4.46Å; Y923-K927 WeakPolarHBondContact O-CG 3.36Å; Y923-K927 PolarHBondContact O-N 2.79Å; Y923-K927 WeakPolarHBondContact OH-CE 3.47Å
924W88.2Confident86.6Confident76 Ų7624.8 Ų24.829%0.28814%0.137SC..Hα-helixtrans-68.8-36.3179.1-73.7112.5000112.9L920 I922 G926 K927 G928 D929 Q932 A933 F936L920-W924 PolarHBondContact O-N 3.34Å; I922-W924 PolarHBondContact O-N 2.81Å; W924-G926 VanDerWaalsContact C-N 3.3Å; W924-G926 PolarHBondContact O-N 2.96Å; W924-K927 HydrophobicContact CE3-CB 4.41Å; W924-K927 CarbonylContact O-C 3.36Å; W924-K927 PolarHBondContact O-N 2.77Å; W924-K927 VanDerWaalsContact O-N 3.13Å; W924-G928 PolarHBondContact O-N 3.07Å; W924-G928 VanDerWaalsContact O-N 3.1Å; W924-D929 HydrophobicContact CB-CB 4.4Å; W924-D929 HydrophobicContact CE3-CB 3.77Å; W924-D929 HydrophobicContact CZ3-CB 4.49Å; W924-D929 PolarHBondContact O-N 3.16Å; W924-Q932 HydrophobicContact CB-CB 3.83Å; W924-Q932 HydrophobicContact CD2-CB 3.67Å; W924-Q932 HydrophobicContact CD2-CG 4.19Å; W924-Q932 HydrophobicContact CE3-CB 4.24Å; W924-Q932 HydrophobicContact CE3-CG 4.44Å; W924-Q932 HydrophobicContact CG-CB 3.46Å; W924-Q932 VanDerWaalsContact CG-CB 3.46Å; W924-Q932 HydrophobicContact CG-CG 4.47Å; W924-A933 HydrophobicContact CB-CB 4.24Å; W924-F936 AromaticContact CD1-CD2 3.54Å; W924-F936 AromaticContact CD1-CE2 3.46Å; W924-F936 VanDerWaalsContact CD1-CE2 3.46Å; W924-F936 AromaticContact NE1-CD2 3.99Å; W924-F936 AromaticContact NE1-CE2 3.4Å
925L86.5Confident86.4Confident30 Ų3024.4 Ų24.416%0.15714%0.136CC..Hα-helixtrans-60.1-40.8172.8-178.359.5000111.6G921 I922 K927 G928 A933 L1053 T1072 V1074G921-L925 WeakPolarHBondContact O-CB 3.25Å; G921-L925 PolarHBondContact O-N 3.49Å; I922-L925 PolarHBondContact O-N 2.82Å; L925-K927 VanDerWaalsContact C-N 3.33Å; L925-G928 PolarHBondContact O-N 3.44Å; L925-A933 HydrophobicContact CB-CB 3.88Å; L925-L1053 HydrophobicContact CD2-CD2 3.76Å; L925-T1072 HydrophobicContact CD1-CG2 4.45Å; L925-T1072 HydrophobicContact CD2-CG2 3.93Å; L925-V1074 HydrophobicContact CD2-CG2 4.16Å
926G82.1Confident86.5Confident35 Ų3524.4 Ų24.436%0.36114%0.136SC..Hα-helixtrans-70.3-24.3175.400000114.5I922 Y923 W924 G928 P1041I922-G926 PolarHBondContact O-N 3.03Å; Y923-G926 PolarHBondContact O-N 2.88Å; W924-G926 VanDerWaalsContact C-N 3.3Å; W924-G926 PolarHBondContact O-N 2.96Å; G926-G928 VanDerWaalsContact C-N 3.3Å; G926-P1041 CarbonylContact C-O 3.44Å; G926-P1041 VanDerWaalsContact CA-O 3.23Å; G926-P1041 WeakPolarHBondContact CA-O 3.36Å
927K83.8Confident86.5Confident79 Ų7924.4 Ų24.434%0.34314%0.136SC..THydrogen-bonded Turntrans-82.1-3.9167-61.1-67.3-173.7177.60113.3N891 Y923 W924 L925 D929N891-K927 WeakPolarHBondContact OD1-CE 3.27Å; N891-K927 PolarHBondContact OD1-NZ 2.69Å; Y923-K927 HydrophobicContact CE1-CG 4.27Å; Y923-K927 VanDerWaalsContact CE2-CE 3.49Å; Y923-K927 HydrophobicContact CE2-CG 4.46Å; Y923-K927 WeakPolarHBondContact O-CG 3.36Å; Y923-K927 PolarHBondContact O-N 2.79Å; Y923-K927 WeakPolarHBondContact OH-CE 3.47Å; W924-K927 HydrophobicContact CE3-CB 4.41Å; W924-K927 CarbonylContact O-C 3.36Å; W924-K927 PolarHBondContact O-N 2.77Å; W924-K927 VanDerWaalsContact O-N 3.13Å; L925-K927 VanDerWaalsContact C-N 3.33Å; K927-D929 VanDerWaalsContact C-N 3.33Å
928G81.7Confident86.4Confident52 Ų5224.5 Ų24.554%0.53614%0.137SC..THydrogen-bonded Turntrans81.60.3-176.800000115.6W924 L925 G926 Q930W924-G928 PolarHBondContact O-N 3.07Å; W924-G928 VanDerWaalsContact O-N 3.1Å; L925-G928 PolarHBondContact O-N 3.44Å; G926-G928 VanDerWaalsContact C-N 3.3Å; G928-Q930 PolarHBondContact O-N 3.31Å; G928-Q930 VanDerWaalsContact O-N 3.07Å
929D86.6Confident86.2Confident53 Ų5325 Ų2528%0.28314%0.139SC..  trans-81.689.5178.7-170.3-29.5000110.4W924 K927 L931 Q932 A933W924-D929 HydrophobicContact CB-CB 4.4Å; W924-D929 HydrophobicContact CE3-CB 3.77Å; W924-D929 HydrophobicContact CZ3-CB 4.49Å; W924-D929 PolarHBondContact O-N 3.16Å; K927-D929 VanDerWaalsContact C-N 3.33Å; D929-L931 PolarHBondContact O-N 3.29Å; D929-L931 PolarHBondContact OD1-N 3.41Å; D929-Q932 HydrophobicContact CB-CB 4.46Å; D929-Q932 PolarHBondContact OD1-N 2.89Å; D929-Q932 VanDerWaalsContact OD2-CG 3.23Å; D929-Q932 WeakPolarHBondContact OD2-CG 3.42Å; D929-A933 WeakPolarHBondContact O-CB 3.47Å; D929-A933 PolarHBondContact O-N 2.92Å
930Q87Confident86Confident64 Ų6425 Ų2530%0.29914%0.139SC..Hα-helixtrans-61.9-30.8178.5-65.7-66.6-9.200113G928 G934 V1070 T1072G928-Q930 PolarHBondContact O-N 3.31Å; G928-Q930 VanDerWaalsContact O-N 3.07Å; Q930-G934 PolarHBondContact O-N 3.3Å; Q930-V1070 WeakPolarHBondContact CB-O 3.19Å; Q930-V1070 WeakPolarHBondContact O-CG1 3.44Å; Q930-T1072 PolarHBondContact NE2-O 3.21Å; Q930-T1072 PolarHBondContact OE1-O 3.47Å
931L85Confident85.9Confident60 Ų6025.1 Ų25.131%0.31414%0.14SC..Hα-helixtrans-73.7-46.6-176.9-178.961000111.5D929 R935 L985 F1068 V1070D929-L931 PolarHBondContact O-N 3.29Å; D929-L931 PolarHBondContact OD1-N 3.41Å; L931-R935 WeakPolarHBondContact O-CB 3.35Å; L931-R935 PolarHBondContact O-N 3.41Å; L931-L985 HydrophobicContact CD1-CB 4.48Å; L931-L985 HydrophobicContact CD1-CD1 4.35Å; L931-L985 HydrophobicContact CD1-CD2 4.32Å; L931-F1068 HydrophobicContact CD1-CE1 4.39Å; L931-V1070 HydrophobicContact CD1-CG1 4.01Å
932Q84.5Confident85.4Confident13 Ų1325.2 Ų25.26%0.06114%0.141CC..Hα-helixtrans-70.6-38.4173.1-59.3-54.6-41.400111.1W924 D929 G934 R935 F936W924-Q932 HydrophobicContact CB-CB 3.83Å; W924-Q932 HydrophobicContact CD2-CB 3.67Å; W924-Q932 HydrophobicContact CD2-CG 4.19Å; W924-Q932 HydrophobicContact CE3-CB 4.24Å; W924-Q932 HydrophobicContact CE3-CG 4.44Å; W924-Q932 HydrophobicContact CG-CB 3.46Å; W924-Q932 VanDerWaalsContact CG-CB 3.46Å; W924-Q932 HydrophobicContact CG-CG 4.47Å; D929-Q932 HydrophobicContact CB-CB 4.46Å; D929-Q932 PolarHBondContact OD1-N 2.89Å; D929-Q932 VanDerWaalsContact OD2-CG 3.23Å; D929-Q932 WeakPolarHBondContact OD2-CG 3.42Å; Q932-G934 PolarHBondContact O-N 3.28Å; Q932-R935 WeakPolarHBondContact O-CB 3.19Å; Q932-R935 PolarHBondContact O-N 2.86Å; Q932-F936 HydrophobicContact CB-CE2 4.4Å; Q932-F936 WeakPolarHBondContact O-CD2 3.38Å; Q932-F936 PolarHBondContact O-N 3.39Å
933A86.4Confident84.7Confident0 Ų025.5 Ų25.50%014%0.142CC..Hα-helixtrans-54.8-52.3173.100000111.4G921 W924 L925 D929 F936 L937G921-A933 WeakPolarHBondContact O-CB 3.2Å; W924-A933 HydrophobicContact CB-CB 4.24Å; L925-A933 HydrophobicContact CB-CB 3.88Å; D929-A933 WeakPolarHBondContact O-CB 3.47Å; D929-A933 PolarHBondContact O-N 2.92Å; A933-F936 PolarHBondContact O-N 3.33Å; A933-L937 WeakPolarHBondContact O-CB 3.17Å; A933-L937 VanDerWaalsContact O-CG 3.25Å; A933-L937 WeakPolarHBondContact O-CG 3.49Å; A933-L937 PolarHBondContact O-N 2.83Å
934G86Confident83.8Confident0 Ų024.9 Ų24.90%014%0.142CC..Hα-helixtrans-58.7-45.4175.100000113.1Q930 Q932 F936 L937 S938 Y1057Q930-G934 PolarHBondContact O-N 3.3Å; Q932-G934 PolarHBondContact O-N 3.28Å; G934-F936 PolarHBondContact O-N 2.9Å; G934-L937 PolarHBondContact O-N 3.44Å; G934-S938 VanDerWaalsContact O-CB 3.27Å; G934-S938 WeakPolarHBondContact O-CB 3.38Å; G934-S938 PolarHBondContact O-N 2.86Å; G934-Y1057 PolarHBondContact O-OH 2.9Å
935R83.4Confident82.9Confident16 Ų1621.9 Ų21.96%0.0613%0.133CC..Hα-helixtrans-53.2-55.2175.6174.9-164.7178167.73.6111.8L931 Q932 S938 P981 L985L931-R935 WeakPolarHBondContact O-CB 3.35Å; L931-R935 PolarHBondContact O-N 3.41Å; Q932-R935 WeakPolarHBondContact O-CB 3.19Å; Q932-R935 PolarHBondContact O-N 2.86Å; R935-S938 PolarHBondContact O-N 2.96Å; R935-S938 PolarHBondContact O-OG 3.28Å; R935-P981 PolarHBondContact NH2-O 3.44Å; R935-L985 HydrophobicContact CB-CD1 4.33Å
936F87.6Confident82.1Confident1 Ų121 Ų210%0.00413%0.129CC..Hα-helixtrans-68.8-42.3-177.6-71.1-74.5000111.6Y898 Y901 C917 L920 W924 Q932 A933 G934 S938 Q939 A940Y898-F936 HydrophobicContact CD2-CE1 4.44Å; Y898-F936 AromaticContact CD2-CZ 3.98Å; Y898-F936 HydrophobicContact CD2-CZ 3.98Å; Y898-F936 HydrophobicContact CE2-CZ 4.04Å; Y901-F936 AromaticContact CD1-CE1 3.9Å; Y901-F936 HydrophobicContact CD1-CE1 3.9Å; Y901-F936 HydrophobicContact CD2-CD1 4.24Å; Y901-F936 HydrophobicContact CD2-CE1 4.01Å; Y901-F936 HydrophobicContact CE1-CD1 4.38Å; Y901-F936 AromaticContact CE1-CE1 3.51Å; Y901-F936 HydrophobicContact CE1-CE1 3.51Å; Y901-F936 HydrophobicContact CE1-CZ 4.21Å; Y901-F936 AromaticContact CE2-CD1 3.73Å; Y901-F936 HydrophobicContact CE2-CD1 3.73Å; Y901-F936 AromaticContact CE2-CE1 3.66Å; Y901-F936 HydrophobicContact CE2-CE1 3.66Å; Y901-F936 HydrophobicContact CG-CE1 4.11Å; Y901-F936 AromaticContact CZ-CD1 3.77Å; Y901-F936 AromaticContact CZ-CE1 3.35Å; C917-F936 WeakPolarHBondContact CB-O 3.2Å; C917-F936 WeakPolarHBondContact O-CB 3.3Å; L920-F936 HydrophobicContact CB-CB 4.21Å; L920-F936 HydrophobicContact CB-CD1 3.76Å; L920-F936 HydrophobicContact CB-CD2 3.98Å; L920-F936 HydrophobicContact CB-CE1 4.1Å; L920-F936 HydrophobicContact CB-CE2 4.35Å; L920-F936 HydrophobicContact CB-CG 3.71Å; L920-F936 HydrophobicContact CB-CZ 4.4Å; L920-F936 HydrophobicContact CD1-CD1 3.84Å; L920-F936 HydrophobicContact CD1-CE1 3.54Å; L920-F936 HydrophobicContact CD1-CZ 4.13Å; L920-F936 HydrophobicContact CG-CD1 4.46Å; L920-F936 HydrophobicContact CG-CE1 4.42Å; W924-F936 AromaticContact CD1-CD2 3.54Å; W924-F936 AromaticContact CD1-CE2 3.46Å; W924-F936 VanDerWaalsContact CD1-CE2 3.46Å; W924-F936 AromaticContact NE1-CD2 3.99Å; W924-F936 AromaticContact NE1-CE2 3.4Å; Q932-F936 HydrophobicContact CB-CE2 4.4Å; Q932-F936 WeakPolarHBondContact O-CD2 3.38Å; Q932-F936 PolarHBondContact O-N 3.39Å; A933-F936 PolarHBondContact O-N 3.33Å; G934-F936 PolarHBondContact O-N 2.9Å; F936-S938 VanDerWaalsContact C-N 3.32Å; F936-S938 PolarHBondContact O-N 2.96Å; F936-Q939 PolarHBondContact O-N 2.92Å; F936-Q939 VanDerWaalsContact O-N 3.08Å; F936-A940 PolarHBondContact O-N 3.25Å
937L89.2Confident81.2Confident0 Ų020.2 Ų20.20%012%0.117CC..Hα-helixtrans-62.5-37176.9-67.8171.7000112.1A933 G934 Q939 A940 Q1013 L1053 T1072A933-L937 WeakPolarHBondContact O-CB 3.17Å; A933-L937 VanDerWaalsContact O-CG 3.25Å; A933-L937 WeakPolarHBondContact O-CG 3.49Å; A933-L937 PolarHBondContact O-N 2.83Å; G934-L937 PolarHBondContact O-N 3.44Å; L937-Q939 PolarHBondContact O-N 2.99Å; L937-Q939 VanDerWaalsContact O-N 3.11Å; L937-A940 WeakPolarHBondContact O-CB 3.31Å; L937-A940 PolarHBondContact O-N 2.96Å; L937-Q1013 PolarHBondContact O-NE2 2.75Å; L937-L1053 HydrophobicContact CD1-CD2 4.14Å; L937-T1072 HydrophobicContact CD1-CG2 3.61Å
938S86.2Confident80.1Confident3 Ų319.4 Ų19.42%0.02111%0.114CC..Hα-helixtrans-58.2-24.8174.980.60000114G934 R935 F936 Y1057G934-S938 VanDerWaalsContact O-CB 3.27Å; G934-S938 WeakPolarHBondContact O-CB 3.38Å; G934-S938 PolarHBondContact O-N 2.86Å; R935-S938 PolarHBondContact O-N 2.96Å; R935-S938 PolarHBondContact O-OG 3.28Å; F936-S938 VanDerWaalsContact C-N 3.32Å; F936-S938 PolarHBondContact O-N 2.96Å; S938-Y1057 WeakPolarHBondContact CA-OH 3.49Å; S938-Y1057 VanDerWaalsContact CB-OH 3.31Å; S938-Y1057 WeakPolarHBondContact CB-OH 3.47Å; S938-Y1057 PolarHBondContact N-OH 3.01Å
939Q83.4Confident79.2Confident11 Ų1117.3 Ų17.35%0.0519%0.09CC..THydrogen-bonded Turntrans-101-0.1178.7-63.6-179.9-2.200112.9Y901 F936 L937 I943 V978 C979 A980Y901-Q939 PolarHBondContact OH-OE1 3.33Å; F936-Q939 PolarHBondContact O-N 2.92Å; F936-Q939 VanDerWaalsContact O-N 3.08Å; L937-Q939 PolarHBondContact O-N 2.99Å; L937-Q939 VanDerWaalsContact O-N 3.11Å; Q939-I943 VanDerWaalsContact O-CD1 3.31Å; Q939-I943 WeakPolarHBondContact O-CD1 3.48Å; Q939-I943 WeakPolarHBondContact O-CG1 3.31Å; Q939-V978 PolarHBondContact NE2-O 2.74Å; Q939-C979 PolarHBondContact NE2-O 3.48Å; Q939-A980 PolarHBondContact NE2-O 2.74Å
940A85.8Confident77.9Confident0 Ų016.5 Ų16.50%09%0.085CC..SBendtrans-82.5-11.1173.800000114R914 C917 Q918 F936 L937R914-A940 WeakPolarHBondContact CG-O 3.41Å; C917-A940 HydrophobicContact CB-CB 3.97Å; Q918-A940 HydrophobicContact CG-CB 3.8Å; F936-A940 PolarHBondContact O-N 3.25Å; L937-A940 WeakPolarHBondContact O-CB 3.31Å; L937-A940 PolarHBondContact O-N 2.96Å
941I86.5Confident76.1Confident5 Ų514.7 Ų14.73%0.0268%0.076CC..SBendtrans-130.8135.4-177.3-49.1-179.6000110.6Q1013 C1015 I1163 D1165 S1194I941-Q1013 HydrophobicContact CD1-CG 3.71Å; I941-C1015 HydrophobicContact CD1-CB 3.94Å; I941-I1163 HydrophobicContact CG2-CG2 4.22Å; I941-D1165 HydrophobicContact CD1-CB 3.95Å; I941-S1194 WeakPolarHBondContact O-CB 3.28Å
942G78.1Confident74.3Confident2 Ų212.5 Ų12.52%0.0217%0.066CC..  trans74.426.1170.600000114.2G944 P945 T946 F1193 E1326G942-G944 PolarHBondContact O-N 2.88Å; G942-P945 WeakPolarHBondContact O-CD 3.39Å; G942-T946 WeakPolarHBondContact O-CB 3.35Å; G942-T946 PolarHBondContact O-N 3.31Å; G942-T946 PolarHBondContact O-OG1 2.94Å; G942-F1193 VanDerWaalsContact CA-O 3.27Å; G942-F1193 WeakPolarHBondContact CA-O 3.26Å; G942-E1326 WeakPolarHBondContact CA-OE1 3.26Å; G942-E1326 PolarHBondContact N-OE1 3.45Å
943I74Confident72.5Confident12 Ų1212.3 Ų12.36%0.0627%0.067CC..Hα-helixtrans-57.5-51.1178.6-55.3160.7000109.6P908 P910 L913 R914 Q939 T946 T947P908-I943 HydrophobicContact CB-CG2 4.01Å; P910-I943 HydrophobicContact CB-CB 4.09Å; P910-I943 HydrophobicContact CB-CD1 4.18Å; P910-I943 HydrophobicContact CB-CG2 4.26Å; P910-I943 HydrophobicContact CG-CB 4.13Å; P910-I943 HydrophobicContact CG-CG2 3.92Å; L913-I943 HydrophobicContact CB-CD1 4.01Å; L913-I943 HydrophobicContact CD2-CD1 4.11Å; L913-I943 HydrophobicContact CD2-CG1 4.47Å; L913-I943 HydrophobicContact CD2-CG2 4.11Å; L913-I943 HydrophobicContact CG-CD1 4.12Å; R914-I943 HydrophobicContact CB-CD1 4.43Å; Q939-I943 VanDerWaalsContact O-CD1 3.31Å; Q939-I943 WeakPolarHBondContact O-CD1 3.48Å; Q939-I943 WeakPolarHBondContact O-CG1 3.31Å; I943-T946 WeakPolarHBondContact O-CB 3.43Å; I943-T946 PolarHBondContact O-N 3.18Å; I943-T947 PolarHBondContact O-N 3.33Å; I943-T947 PolarHBondContact O-OG1 3.46Å; I943-T947 VanDerWaalsContact O-OG1 3.06Å
944G68.1Low70.2Confident10 Ų1014.2 Ų14.210%0.1038%0.077CC..Hα-helixtrans-56.6-55.117900000113.5G942 T946 T947 F948G942-G944 PolarHBondContact O-N 2.88Å; G944-T946 VanDerWaalsContact C-N 3.33Å; G944-T946 PolarHBondContact O-N 3.04Å; G944-T947 PolarHBondContact O-N 3.28Å; G944-F948 WeakPolarHBondContact O-CB 3.41Å; G944-F948 PolarHBondContact O-N 2.8Å
945P68.1Low67.7Low13 Ų1316.8 Ų16.88%0.08410%0.095CC..Hα-helixtrans-50.8-46.8170.8-31.937.1000113.8G942 F948 H949 F1193 L1197 F1332G942-P945 WeakPolarHBondContact O-CD 3.39Å; P945-F948 WeakPolarHBondContact O-CB 3.26Å; P945-F948 PolarHBondContact O-N 3.34Å; P945-F948 VanDerWaalsContact O-N 3.16Å; P945-H949 PolarHBondContact O-N 3.13Å; P945-F1193 HydrophobicContact CB-CB 3.96Å; P945-F1193 HydrophobicContact CG-CB 4.07Å; P945-L1197 HydrophobicContact CB-CD1 3.73Å; P945-F1332 HydrophobicContact CB-CE1 3.81Å; P945-F1332 HydrophobicContact CB-CE2 4.14Å; P945-F1332 HydrophobicContact CB-CZ 3.59Å; P945-F1332 WeakPolarHBondContact O-CZ 3.08Å
946T69.9Low65.4Low13 Ų1317.7 Ų17.78%0.0810%0.099CC..Hα-helixtrans-60.1-50.3178.5-55.20000111.7G942 I943 G944 F948 H949 L950 C979 S1194 P1196G942-T946 WeakPolarHBondContact O-CB 3.35Å; G942-T946 PolarHBondContact O-N 3.31Å; G942-T946 PolarHBondContact O-OG1 2.94Å; I943-T946 WeakPolarHBondContact O-CB 3.43Å; I943-T946 PolarHBondContact O-N 3.18Å; G944-T946 VanDerWaalsContact C-N 3.33Å; G944-T946 PolarHBondContact O-N 3.04Å; T946-F948 PolarHBondContact O-N 2.83Å; T946-H949 PolarHBondContact O-N 3.49Å; T946-L950 PolarHBondContact O-N 2.9Å; T946-C979 HydrophobicContact CG2-CB 4.14Å; T946-C979 WeakPolarHBondContact CG2-SG 3.31Å; T946-S1194 WeakPolarHBondContact OG1-CB 3.43Å; T946-S1194 PolarHBondContact OG1-OG 3.32Å; T946-P1196 HydrophobicContact CG2-CB 3.48Å; T946-P1196 VanDerWaalsContact CG2-CB 3.48Å; T946-P1196 HydrophobicContact CG2-CG 4.03Å
947T63Low62.9Low18 Ų1820.1 Ų20.111%0.1111%0.112CC..Hα-helixtrans-64.2-27.7176.9-53.10000112.1L382 P908 I943 G944 K951L382-T947 HydrophobicContact CD2-CG2 3.96Å; P908-T947 HydrophobicContact CG-CG2 4.22Å; I943-T947 PolarHBondContact O-N 3.33Å; I943-T947 PolarHBondContact O-OG1 3.46Å; I943-T947 VanDerWaalsContact O-OG1 3.06Å; G944-T947 PolarHBondContact O-N 3.28Å; T947-K951 VanDerWaalsContact O-CE 3.24Å; T947-K951 WeakPolarHBondContact O-CE 3.31Å; T947-K951 WeakPolarHBondContact O-CG 3.28Å
948F61.6Low60.3Low62 Ų6223.8 Ų23.827%0.27214%0.138SC..Hα-helixtrans-72-44.4173.9-163.8-73.3000112.1E387 G944 P945 T946 L950 K951 S952 F1332 I1336E387-F948 WeakPolarHBondContact OE2-CE2 3.21Å; G944-F948 WeakPolarHBondContact O-CB 3.41Å; G944-F948 PolarHBondContact O-N 2.8Å; P945-F948 WeakPolarHBondContact O-CB 3.26Å; P945-F948 PolarHBondContact O-N 3.34Å; P945-F948 VanDerWaalsContact O-N 3.16Å; T946-F948 PolarHBondContact O-N 2.83Å; F948-L950 VanDerWaalsContact C-N 3.33Å; F948-L950 PolarHBondContact O-N 2.82Å; F948-K951 WeakPolarHBondContact O-CB 3.48Å; F948-K951 PolarHBondContact O-N 3.26Å; F948-S952 PolarHBondContact O-N 3.02Å; F948-F1332 HydrophobicContact CB-CE1 4.38Å; F948-I1336 HydrophobicContact CD1-CD1 3.52Å; F948-I1336 HydrophobicContact CE1-CD1 3.8Å
949H62.5Low57.6Low8 Ų828 Ų284%0.03716%0.164CC..Hα-helixtrans-64.4-36.4-178-17845.2000113P945 T946 K951 S952 S953 L1197 I1336P945-H949 PolarHBondContact O-N 3.13Å; T946-H949 PolarHBondContact O-N 3.49Å; H949-K951 PolarHBondContact O-N 3.07Å; H949-S952 WeakPolarHBondContact CA-OG 3.28Å; H949-S952 PolarHBondContact ND1-OG 3.06Å; H949-S952 PolarHBondContact O-N 3.14Å; H949-S952 VanDerWaalsContact O-N 3.09Å; H949-S952 PolarHBondContact O-OG 3.42Å; H949-S953 PolarHBondContact O-N 3.03Å; H949-S953 VanDerWaalsContact O-N 3.16Å; H949-S953 PolarHBondContact O-OG 3.32Å; H949-L1197 HydrophobicContact CB-CD2 3.55Å; H949-I1336 HydrophobicContact CB-CG1 4.48Å
950L58.6Low55.3Low36 Ų3631.5 Ų31.519%0.18819%0.189CC..Hα-helixtrans-54-49.8172.3-73.3166.8000111.5T946 F948 S952 S953 D954 L972 V975 T976T946-L950 PolarHBondContact O-N 2.9Å; F948-L950 VanDerWaalsContact C-N 3.33Å; F948-L950 PolarHBondContact O-N 2.82Å; L950-S952 VanDerWaalsContact C-N 3.27Å; L950-S952 PolarHBondContact O-N 3.46Å; L950-S953 WeakPolarHBondContact O-CB 3.16Å; L950-S953 PolarHBondContact O-N 3.45Å; L950-S953 VanDerWaalsContact O-N 3.16Å; L950-D954 PolarHBondContact O-N 3.31Å; L950-L972 HydrophobicContact CD2-CD2 3.65Å; L950-V975 HydrophobicContact CD2-CG1 3.82Å; L950-T976 HydrophobicContact CD2-CG2 4.05Å
951K50.4Low52.7Low25 Ų2534.4 Ų34.411%0.10921%0.205CC..Hα-helixtrans-58.5-36.7176.2-52162.5-159.9168.60113.2L275 T947 F948 H949 S953 D954 S955L275-K951 HydrophobicContact CD2-CD 3.91Å; T947-K951 VanDerWaalsContact O-CE 3.24Å; T947-K951 WeakPolarHBondContact O-CE 3.31Å; T947-K951 WeakPolarHBondContact O-CG 3.28Å; F948-K951 WeakPolarHBondContact O-CB 3.48Å; F948-K951 PolarHBondContact O-N 3.26Å; H949-K951 PolarHBondContact O-N 3.07Å; K951-S953 VanDerWaalsContact C-N 3.3Å; K951-D954 PolarHBondContact O-N 3.49Å; K951-S955 PolarHBondContact O-N 3.34Å; K951-S955 VanDerWaalsContact O-N 3.09Å
952S47.4Very low50Low15 Ų1541.1 Ų41.111%0.10523%0.23CC..Hα-helixtrans-68.9-32.8-177.862.60000112F948 H949 L950 S955 Q956 I1336F948-S952 PolarHBondContact O-N 3.02Å; H949-S952 WeakPolarHBondContact CA-OG 3.28Å; H949-S952 PolarHBondContact ND1-OG 3.06Å; H949-S952 PolarHBondContact O-N 3.14Å; H949-S952 VanDerWaalsContact O-N 3.09Å; H949-S952 PolarHBondContact O-OG 3.42Å; L950-S952 VanDerWaalsContact C-N 3.27Å; L950-S952 PolarHBondContact O-N 3.46Å; S952-S955 WeakPolarHBondContact CA-OG 3.49Å; S952-S955 PolarHBondContact O-N 3.12Å; S952-S955 PolarHBondContact O-OG 3.46Å; S952-Q956 PolarHBondContact O-N 2.83Å; S952-I1336 WeakPolarHBondContact OG-CG2 3.46Å
953S45.4Very low47.8Very low9 Ų949.5 Ų49.56%0.06327%0.266CS..Hα-helixtrans-65.3-50.6173.9-50.30000110.1H949 L950 K951 S955 Q956 W968H949-S953 PolarHBondContact O-N 3.03Å; H949-S953 VanDerWaalsContact O-N 3.16Å; H949-S953 PolarHBondContact O-OG 3.32Å; L950-S953 WeakPolarHBondContact O-CB 3.16Å; L950-S953 PolarHBondContact O-N 3.45Å; L950-S953 VanDerWaalsContact O-N 3.16Å; K951-S953 VanDerWaalsContact C-N 3.3Å; S953-S955 PolarHBondContact O-N 3.48Å; S953-Q956 PolarHBondContact O-N 2.86Å; S953-Q956 VanDerWaalsContact O-N 3.12Å; S953-W968 VanDerWaalsContact OG-CZ3 3.3Å; S953-W968 WeakPolarHBondContact OG-CZ3 3.26Å
954D38.4Very low46Very low40 Ų4055 Ų5521%0.21429%0.289CS..Hα-helixtrans-53.7-38175.4-53.4-20.2000111.9L788 L950 K951 Q956L788-D954 HydrophobicContact CD2-CB 4.11Å; L950-D954 PolarHBondContact O-N 3.31Å; K951-D954 PolarHBondContact O-N 3.49Å; D954-Q956 PolarHBondContact O-N 3.08Å
955S34.9Very low44.3Very low54 Ų5459.1 Ų59.138%0.37831%0.306SS..Hα-helixtrans-73.7-19.6-177.670.70000115.4K951 S952 S953 D957 S958K951-S955 PolarHBondContact O-N 3.34Å; K951-S955 VanDerWaalsContact O-N 3.09Å; S952-S955 WeakPolarHBondContact CA-OG 3.49Å; S952-S955 PolarHBondContact O-N 3.12Å; S952-S955 PolarHBondContact O-OG 3.46Å; S953-S955 PolarHBondContact O-N 3.48Å; S955-D957 VanDerWaalsContact C-N 3.31Å; S955-D957 PolarHBondContact O-N 3.11Å; S955-S958 PolarHBondContact O-N 3.04Å; S955-S958 PolarHBondContact O-OG 3.45Å
956Q35.1Very low42.6Very low34 Ų3463.4 Ų63.416%0.15933%0.334CS..G310 helixtrans-79.1-9.8-178.6-79.9-173-12.400114.1S952 S953 D954 S958 G1302 S1304S952-Q956 PolarHBondContact O-N 2.83Å; S953-Q956 PolarHBondContact O-N 2.86Å; S953-Q956 VanDerWaalsContact O-N 3.12Å; D954-Q956 PolarHBondContact O-N 3.08Å; Q956-S958 PolarHBondContact O-N 2.7Å; Q956-S958 VanDerWaalsContact O-N 3.07Å; Q956-G1302 PolarHBondContact NE2-O 2.91Å; Q956-S1304 PolarHBondContact NE2-OG 3.49Å; Q956-S1304 VanDerWaalsContact NE2-OG 3.13Å; Q956-S1304 PolarHBondContact OE1-OG 3.36Å
957D35Very low41.2Very low52 Ų5265.8 Ų65.828%0.27835%0.347SS..G310 helixtrans-66.5-0.3168.9-91.23.1000113.6L788 S955 V959L788-D957 HydrophobicContact CD1-CB 4.41Å; S955-D957 VanDerWaalsContact C-N 3.31Å; S955-D957 PolarHBondContact O-N 3.11Å; D957-V959 VanDerWaalsContact C-N 3.35Å
958S33.2Very low40.1Very low78 Ų7868 Ų6855%0.54535%0.353SS..G310 helixtrans-82.4-1.8177.257.30000115.1S955 Q956S955-S958 PolarHBondContact O-N 3.04Å; S955-S958 PolarHBondContact O-OG 3.45Å; Q956-S958 PolarHBondContact O-N 2.7Å; Q956-S958 VanDerWaalsContact O-N 3.07Å
959V30.4Very low39.1Very low91 Ų9170.9 Ų70.955%0.55237%0.366SS*.SBendtrans-93.2115.1174.9-177.70000109.9D957 D961D957-V959 VanDerWaalsContact C-N 3.35Å; V959-D961 PolarHBondContact O-N 2.67Å
960S35Very low38.1Very low85 Ų8573.4 Ų73.459%0.59438%0.383SS*.  trans-69.923.6-160.948.10000118.1D781D781-S960 WeakPolarHBondContact OD1-CB 3.25Å
961D31.2Very low37.6Very low60 Ų6072 Ų7232%0.32138%0.376SS..  trans-103.195.3-173.2-170.10000112.7V959 K963 K964V959-D961 PolarHBondContact O-N 2.67Å; D961-K963 PolarHBondContact O-N 3.22Å; D961-K964 PolarHBondContact O-N 2.77Å
962R30.6Very low37.4Very low146 Ų14672.4 Ų72.455%0.55138%0.379SS*.G310 helixtrans-56.2-19.9-174.4-81.3-164.6-177.3-134.5-2.8115K964 H965R962-K964 PolarHBondContact O-N 3.17Å; R962-H965 PolarHBondContact O-N 3Å
963K31.7Very low37.5Very low179 Ų17975.7 Ų75.778%0.77840%0.395SS*.G310 helixtrans-70.2-11178.4-69.8176.7-179.3169.80114D961D961-K963 PolarHBondContact O-N 3.22Å
964K35.9Very low37.9Very low128 Ų12879.7 Ų79.756%0.55741%0.409SS*.G310 helixtrans-93.2-12176.1-65.5179.7-175.4171.50114.6D961 R962 C966D961-K964 PolarHBondContact O-N 2.77Å; R962-K964 PolarHBondContact O-N 3.17Å; K964-C966 PolarHBondContact O-N 2.9Å
965H31.3Very low38.4Very low96 Ų9678 Ų7844%0.44440%0.401SS..THydrogen-bonded Turntrans-74.491.5179-71.2-101000111.6R962R962-H965 PolarHBondContact O-N 3Å
966C33.8Very low39Very low102 Ų10276.8 Ų76.869%0.68939%0.39SS*.THydrogen-bonded Turntrans-169.1-32.3150.7-1140000113K964 P970K964-C966 PolarHBondContact O-N 2.9Å; C966-P970 WeakPolarHBondContact O-CD 3.49Å
967N39.9Very low39.7Very low64 Ų6477.3 Ų77.334%0.34240%0.396SS..SBendtrans-80.9-22.4-163.7-68.3-4.3000115.7P970 M1207N967-P970 WeakPolarHBondContact O-CD 3.39Å; N967-M1207 HydrophobicContact CB-CE 3.65Å; N967-M1207 HydrophobicContact CB-CG 4.19Å; N967-M1207 HydrophobicContact CB-SD 3.5Å; N967-M1207 WeakPolarHBondContact CB-SD 3.36Å
968W40.7Very low40.5Very low63 Ų6375.5 Ų75.524%0.23939%0.387CS..Hα-helixtrans-75.8-30.4-177.5-94.5108.9000113.9S953 I971 L972 T1204 M1207S953-W968 VanDerWaalsContact OG-CZ3 3.3Å; S953-W968 WeakPolarHBondContact OG-CZ3 3.26Å; W968-I971 HydrophobicContact CE3-CB 4.08Å; W968-I971 HydrophobicContact CE3-CD1 4.4Å; W968-I971 HydrophobicContact CE3-CG2 4.03Å; W968-I971 HydrophobicContact CZ3-CG2 3.97Å; W968-I971 CarbonylContact O-C 3.4Å; W968-I971 WeakPolarHBondContact O-CA 3.49Å; W968-I971 WeakPolarHBondContact O-CB 3.14Å; W968-I971 PolarHBondContact O-N 2.96Å; W968-L972 PolarHBondContact O-N 3.05Å; W968-T1204 HydrophobicContact CH2-CG2 3.75Å; W968-T1204 HydrophobicContact CZ2-CG2 4.31Å; W968-T1204 HydrophobicContact CZ3-CG2 4.03Å; W968-M1207 HydrophobicContact CB-CE 4.19Å; W968-M1207 HydrophobicContact CD2-CE 3.84Å; W968-M1207 HydrophobicContact CG-CE 3.57Å
969F39.4Very low41.3Very low123 Ų12372.6 Ų72.654%0.53937%0.367SS..Hα-helixtrans-60-44.7-179.9-95.8-85.7000113.6I971 L972 N973F969-I971 PolarHBondContact O-N 3.38Å; F969-L972 PolarHBondContact O-N 3.23Å; F969-N973 WeakPolarHBondContact O-CB 3.14Å; F969-N973 PolarHBondContact O-N 2.91Å
970P42.5Very low42Very low62 Ų6269.6 Ų69.640%0.40335%0.351SS..Hα-helixtrans-56.3-34.5169.9-29.135.9000114.1C966 N967 R974C966-P970 WeakPolarHBondContact O-CD 3.49Å; N967-P970 WeakPolarHBondContact O-CD 3.39Å; P970-R974 WeakPolarHBondContact O-CB 3.24Å; P970-R974 VanDerWaalsContact O-CG 3.24Å; P970-R974 WeakPolarHBondContact O-CG 3.37Å; P970-R974 PolarHBondContact O-N 3.11Å
971I46.8Very low42.4Very low6 Ų666.1 Ų66.13%0.03133%0.327CS..Hα-helixtrans-72.4-52176.2-57.9-174.4000110.1W968 F969 N973 R974 V975 A1203 T1204 M1207W968-I971 HydrophobicContact CE3-CB 4.08Å; W968-I971 HydrophobicContact CE3-CD1 4.4Å; W968-I971 HydrophobicContact CE3-CG2 4.03Å; W968-I971 HydrophobicContact CZ3-CG2 3.97Å; W968-I971 CarbonylContact O-C 3.4Å; W968-I971 WeakPolarHBondContact O-CA 3.49Å; W968-I971 WeakPolarHBondContact O-CB 3.14Å; W968-I971 PolarHBondContact O-N 2.96Å; F969-I971 PolarHBondContact O-N 3.38Å; I971-N973 PolarHBondContact O-N 2.92Å; I971-R974 PolarHBondContact O-N 3.36Å; I971-V975 HydrophobicContact CG2-CG2 3.93Å; I971-V975 VanDerWaalsContact O-CB 3.3Å; I971-V975 WeakPolarHBondContact O-CB 3.32Å; I971-V975 VanDerWaalsContact O-CG2 3.22Å; I971-V975 WeakPolarHBondContact O-CG2 3.45Å; I971-V975 PolarHBondContact O-N 3.23Å; I971-A1203 HydrophobicContact CB-CB 4.47Å; I971-A1203 WeakPolarHBondContact CD1-O 3.46Å; I971-A1203 HydrophobicContact CG1-CB 4.14Å; I971-A1203 HydrophobicContact CG2-CB 3.98Å; I971-T1204 HydrophobicContact CD1-CG2 3.74Å; I971-T1204 HydrophobicContact CG2-CG2 4.19Å; I971-M1207 HydrophobicContact CD1-CE 3.41Å; I971-M1207 VanDerWaalsContact CD1-CE 3.41Å; I971-M1207 HydrophobicContact CD1-CG 4.01Å; I971-M1207 HydrophobicContact CG1-CE 4.35Å
972L47.1Very low42.8Very low33 Ų3367 Ų6717%0.17333%0.332CS..Hα-helixtrans-57.2-37.6177.2-103.2159.6000111.8L950 W968 F969 T976L950-L972 HydrophobicContact CD2-CD2 3.65Å; W968-L972 PolarHBondContact O-N 3.05Å; F969-L972 PolarHBondContact O-N 3.23Å; L972-T976 VanDerWaalsContact O-CB 3.3Å; L972-T976 WeakPolarHBondContact O-CB 3.32Å; L972-T976 VanDerWaalsContact O-CG2 3.28Å; L972-T976 WeakPolarHBondContact O-CG2 3.34Å; L972-T976 PolarHBondContact O-N 3.27Å; L972-T976 PolarHBondContact O-OG1 3.39Å
973N48.5Very low43.4Very low85 Ų8561 Ų6146%0.45531%0.31SS..Hα-helixtrans-68.1-45.3172.5-75.1-3.5000112.3F969 I971 T976 T977F969-N973 WeakPolarHBondContact O-CB 3.14Å; F969-N973 PolarHBondContact O-N 2.91Å; I971-N973 PolarHBondContact O-N 2.92Å; N973-T976 WeakPolarHBondContact CA-OG1 3.48Å; N973-T976 PolarHBondContact O-N 2.94Å; N973-T976 PolarHBondContact O-OG1 2.98Å; N973-T976 VanDerWaalsContact O-OG1 3.13Å; N973-T977 WeakPolarHBondContact O-CG2 3.42Å; N973-T977 PolarHBondContact O-N 2.75Å; N973-T977 PolarHBondContact O-OG1 3.09Å
974R54.2Low43.4Very low92 Ų9257.7 Ų57.735%0.34730%0.296SS..Hα-helixtrans-64-46.3176.4-76.8172.5-177.1156.59112.1P970 I971 T977 V978 G1062 Q1063P970-R974 WeakPolarHBondContact O-CB 3.24Å; P970-R974 VanDerWaalsContact O-CG 3.24Å; P970-R974 WeakPolarHBondContact O-CG 3.37Å; P970-R974 PolarHBondContact O-N 3.11Å; I971-R974 PolarHBondContact O-N 3.36Å; R974-T977 WeakPolarHBondContact CA-OG1 3.42Å; R974-T977 PolarHBondContact O-N 3.17Å; R974-T977 PolarHBondContact O-OG1 3.37Å; R974-V978 PolarHBondContact O-N 3.12Å; R974-G1062 WeakPolarHBondContact CD-O 3.19Å; R974-G1062 PolarHBondContact NH1-O 3.08Å; R974-Q1063 VanDerWaalsContact CZ-O 3.28Å; R974-Q1063 PolarHBondContact NE-O 2.89Å; R974-Q1063 PolarHBondContact NH2-O 3.15Å
975V49.3Very low43.7Very low6 Ų653.4 Ų53.44%0.03628%0.279CS..Hα-helixtrans-57.7-50.8174.5174.30000109.2L950 I971 T977 V978 C979 A1200L950-V975 HydrophobicContact CD2-CG1 3.82Å; I971-V975 HydrophobicContact CG2-CG2 3.93Å; I971-V975 VanDerWaalsContact O-CB 3.3Å; I971-V975 WeakPolarHBondContact O-CB 3.32Å; I971-V975 VanDerWaalsContact O-CG2 3.22Å; I971-V975 WeakPolarHBondContact O-CG2 3.45Å; I971-V975 PolarHBondContact O-N 3.23Å; V975-T977 PolarHBondContact O-N 3.29Å; V975-V978 PolarHBondContact O-N 3.14Å; V975-V978 VanDerWaalsContact O-N 3.09Å; V975-C979 WeakPolarHBondContact CG1-SG 3.23Å; V975-C979 WeakPolarHBondContact O-CB 3.01Å; V975-C979 PolarHBondContact O-N 3.22Å; V975-C979 PolarHBondContact O-SG 3.38Å; V975-A1200 HydrophobicContact CG1-CB 4.36Å; V975-A1200 VanDerWaalsContact CG2-CA 3.47Å; V975-A1200 HydrophobicContact CG2-CB 3.39Å
976T47.7Very low43.9Very low27 Ų2755.6 Ų55.617%0.16629%0.291CS..Hα-helixtrans-64.9-32.1176.253.80000113.6P270 L950 L972 N973 V978 C979 A980P270-T976 HydrophobicContact CG-CG2 4.18Å; L950-T976 HydrophobicContact CD2-CG2 4.05Å; L972-T976 VanDerWaalsContact O-CB 3.3Å; L972-T976 WeakPolarHBondContact O-CB 3.32Å; L972-T976 VanDerWaalsContact O-CG2 3.28Å; L972-T976 WeakPolarHBondContact O-CG2 3.34Å; L972-T976 PolarHBondContact O-N 3.27Å; L972-T976 PolarHBondContact O-OG1 3.39Å; N973-T976 WeakPolarHBondContact CA-OG1 3.48Å; N973-T976 PolarHBondContact O-N 2.94Å; N973-T976 PolarHBondContact O-OG1 2.98Å; N973-T976 VanDerWaalsContact O-OG1 3.13Å; T976-V978 PolarHBondContact O-N 3.3Å; T976-C979 PolarHBondContact O-N 3.35Å; T976-A980 WeakPolarHBondContact O-CA 3.34Å; T976-A980 WeakPolarHBondContact O-CB 3.43Å; T976-A980 PolarHBondContact O-N 2.62Å
977T48.5Very low43.8Very low46 Ų4656.3 Ų56.328%0.28228%0.283SS..Hα-helixtrans-61.2-28172.554.60000113.5N973 R974 V975 N983 F984N973-T977 WeakPolarHBondContact O-CG2 3.42Å; N973-T977 PolarHBondContact O-N 2.75Å; N973-T977 PolarHBondContact O-OG1 3.09Å; R974-T977 WeakPolarHBondContact CA-OG1 3.42Å; R974-T977 PolarHBondContact O-N 3.17Å; R974-T977 PolarHBondContact O-OG1 3.37Å; V975-T977 PolarHBondContact O-N 3.29Å; T977-N983 PolarHBondContact O-ND2 3.42Å; T977-N983 PolarHBondContact O-OD1 2.87Å; T977-F984 HydrophobicContact CG2-CB 4.31Å; T977-F984 HydrophobicContact CG2-CD2 4.4Å
978V52.2Low43.4Very low13 Ų1358.8 Ų58.88%0.07930%0.296CS..Hα-helixtrans-94.5-38.6177.4-178.40000112.1Q939 R974 V975 T976 L1065 L1195 P1196 V1199Q939-V978 PolarHBondContact NE2-O 2.74Å; R974-V978 PolarHBondContact O-N 3.12Å; V975-V978 PolarHBondContact O-N 3.14Å; V975-V978 VanDerWaalsContact O-N 3.09Å; T976-V978 PolarHBondContact O-N 3.3Å; V978-L1065 HydrophobicContact CG2-CD1 3.94Å; V978-L1195 HydrophobicContact CG1-CD2 4.46Å; V978-L1195 HydrophobicContact CG1-CG 4.3Å; V978-P1196 HydrophobicContact CG1-CG 4.13Å; V978-V1199 HydrophobicContact CG1-CG2 4.35Å; V978-V1199 HydrophobicContact CG2-CB 4.44Å; V978-V1199 HydrophobicContact CG2-CG1 4.12Å; V978-V1199 HydrophobicContact CG2-CG2 4.25Å
979C49.5Very low43Very low18 Ų1861.6 Ų61.612%0.12232%0.32CS..Hα-helixtrans-68.3-39.2175.9-630000113.2Q939 T946 V975 T976 P981 P1196Q939-C979 PolarHBondContact NE2-O 3.48Å; T946-C979 HydrophobicContact CG2-CB 4.14Å; T946-C979 WeakPolarHBondContact CG2-SG 3.31Å; V975-C979 WeakPolarHBondContact CG1-SG 3.23Å; V975-C979 WeakPolarHBondContact O-CB 3.01Å; V975-C979 PolarHBondContact O-N 3.22Å; V975-C979 PolarHBondContact O-SG 3.38Å; T976-C979 PolarHBondContact O-N 3.35Å; C979-P981 WeakPolarHBondContact O-CD 3.28Å; C979-P1196 VanDerWaalsContact SG-CB 3.59Å
980A45.4Very low42.5Very low28 Ų2862.8 Ų62.823%0.23133%0.332CS..  trans-70.1128-167.300000109.5Q939 T976 N982 N983Q939-A980 PolarHBondContact NE2-O 2.74Å; T976-A980 WeakPolarHBondContact O-CA 3.34Å; T976-A980 WeakPolarHBondContact O-CB 3.43Å; T976-A980 PolarHBondContact O-N 2.62Å; A980-N982 CarbonylContact O-C 3.58Å; A980-N982 PolarHBondContact O-N 3.37Å; A980-N982 VanDerWaalsContact O-N 3.15Å; A980-N983 WeakPolarHBondContact O-CB 3.28Å; A980-N983 PolarHBondContact O-N 2.7Å
981P45Very low41.6Very low12 Ų1266.5 Ų66.58%0.07834%0.344CS..SBendtrans-43.8-32.6154.7-9.6-11.7000114.6Y901 S905 R935 C979 N983Y901-P981 HydrophobicContact CD1-CB 4.15Å; Y901-P981 HydrophobicContact CE1-CB 3.58Å; Y901-P981 HydrophobicContact CE2-CB 3.99Å; Y901-P981 VanDerWaalsContact OH-CA 3.31Å; Y901-P981 WeakPolarHBondContact OH-CA 3.37Å; S905-P981 VanDerWaalsContact CB-CB 3.49Å; R935-P981 PolarHBondContact NH2-O 3.44Å; C979-P981 WeakPolarHBondContact O-CD 3.28Å; P981-N983 VanDerWaalsContact C-N 3.29Å; P981-N983 PolarHBondContact O-N 2.85Å; P981-N983 VanDerWaalsContact O-N 3.15Å
982N38.7Very low40.5Very low79 Ų7972.3 Ų72.342%0.42238%0.379SS..SBendtrans-85.566.7167.4-66.4-11.7000111A980A980-N982 CarbonylContact O-C 3.58Å; A980-N982 PolarHBondContact O-N 3.37Å; A980-N982 VanDerWaalsContact O-N 3.15Å
983N42.8Very low39.5Very low19 Ų1976.4 Ų76.410%0.10241%0.408CS..  trans-81.4142-173.5-166.5-44.3000112.7T977 A980 P981 L985T977-N983 PolarHBondContact O-ND2 3.42Å; T977-N983 PolarHBondContact O-OD1 2.87Å; A980-N983 WeakPolarHBondContact O-CB 3.28Å; A980-N983 PolarHBondContact O-N 2.7Å; P981-N983 VanDerWaalsContact C-N 3.29Å; P981-N983 PolarHBondContact O-N 2.85Å; P981-N983 VanDerWaalsContact O-N 3.15Å; N983-L985 WeakPolarHBondContact OD1-CB 3.43Å; N983-L985 WeakPolarHBondContact OD1-CG 3.38Å; N983-L985 PolarHBondContact OD1-N 2.84Å
984F31.2Very low38.5Very low109 Ų10979.5 Ų79.548%0.47843%0.43SS..  trans-84.90.5177.9-101.2-94.9000115.8T977 M986 K987T977-F984 HydrophobicContact CG2-CB 4.31Å; T977-F984 HydrophobicContact CG2-CD2 4.4Å; F984-M986 PolarHBondContact O-N 3.22Å; F984-K987 HydrophobicContact CD1-CB 4.09Å; F984-K987 HydrophobicContact CD1-CD 4.43Å; F984-K987 HydrophobicContact CE1-CD 4.04Å; F984-K987 PolarHBondContact O-N 3.19Å
985L43Very low37.1Very low39 Ų3980.2 Ų80.220%0.20445%0.448CS..THydrogen-bonded Turntrans-51.9-12.8177.1-82.6175000115.1L931 R935 N983 F1068L931-L985 HydrophobicContact CD1-CB 4.48Å; L931-L985 HydrophobicContact CD1-CD1 4.35Å; L931-L985 HydrophobicContact CD1-CD2 4.32Å; R935-L985 HydrophobicContact CB-CD1 4.33Å; N983-L985 WeakPolarHBondContact OD1-CB 3.43Å; N983-L985 WeakPolarHBondContact OD1-CG 3.38Å; N983-L985 PolarHBondContact OD1-N 2.84Å; L985-F1068 HydrophobicContact CD1-CE1 4.07Å; L985-F1068 HydrophobicContact CD2-CD1 3.49Å; L985-F1068 VanDerWaalsContact CD2-CD1 3.49Å; L985-F1068 HydrophobicContact CD2-CE1 3.5Å; L985-F1068 VanDerWaalsContact CD2-CE1 3.5Å; L985-F1068 HydrophobicContact CD2-CG 4.38Å; L985-F1068 HydrophobicContact CD2-CZ 4.38Å; L985-F1068 HydrophobicContact CG-CE1 4.46Å
986M34.9Very low35.9Very low142 Ų14283 Ų8370%0.748%0.478SS*.THydrogen-bonded Turntrans-81.6-21173.3-101.2-172.4141.800115.8F984F984-M986 PolarHBondContact O-N 3.22Å
987K32.1Very low34.8Very low117 Ų11792 Ų9251%0.50952%0.515SS..SBendtrans-105.1-11.5-160.3-97.6-167.9172.8-167.60117.8F984 V989F984-K987 HydrophobicContact CD1-CB 4.09Å; F984-K987 HydrophobicContact CD1-CD 4.43Å; F984-K987 HydrophobicContact CE1-CD 4.04Å; F984-K987 PolarHBondContact O-N 3.19Å; K987-V989 PolarHBondContact O-N 2.98Å; K987-V989 VanDerWaalsContact O-N 3.16Å
988N32.8Very low33.8Very low115 Ų11597.4 Ų97.462%0.61554%0.541SS*.THydrogen-bonded Turntrans-73.7-1.1-177.8-85.511.2000115.5
989V31.6Very low32.6Very low123 Ų123104 Ų10475%0.74557%0.574SS**THydrogen-bonded Turntrans-85.4-33.7-177.1-177.70000113.2K987K987-V989 PolarHBondContact O-N 2.98Å; K987-V989 VanDerWaalsContact O-N 3.16Å
990N28.7Very low31.4Very low147 Ų147111.6 Ų111.679%0.78661%0.608SS**SBendtrans-128.922.3-163.9-80.2-20.2000115.4
991Q24.2Very low30.6Very low140 Ų140115 Ų11565%0.65463%0.629SS**  trans-129.294.1170.6-70.2-166.4-54.200111.1P993Q991-P993 WeakPolarHBondContact O-CD 3.48Å
992T22.6Very low29.9Very low128 Ų128120.6 Ų120.679%0.78566%0.658SS**  trans-65.2115162.340.80000108.8T994T992-T994 PolarHBondContact O-N 3.37Å
993P27.6Very low29.7Very low120 Ų120123.3 Ų123.378%0.77967%0.672SS**  trans-79.396.8-172.130.6-33.5000110.9Q991 C995Q991-P993 WeakPolarHBondContact O-CD 3.48Å; P993-C995 PolarHBondContact O-N 2.93Å
994T26.2Very low29.3Very low149 Ų149130.2 Ų130.291%0.91471%0.709SS**  trans-7361.2169.242.20000111.6T992T992-T994 PolarHBondContact O-N 3.37Å
995C24.9Very low30Very low108 Ų108127.6 Ų127.673%0.7370%0.704SS**  trans-122.5134176.3-164.30000111.2P993P993-C995 PolarHBondContact O-N 2.93Å
996G25.1Very low30.4Very low63 Ų63127.5 Ų127.565%0.64971%0.707SS**  trans-86.1141-162.300000115.5L998G996-L998 VanDerWaalsContact C-N 3.28Å; G996-L998 PolarHBondContact O-N 3.07Å
997K24.9Very low31.7Very low218 Ų218122 Ų12295%0.94868%0.681SS**  trans48.835.8158.3-63.1-171.6177.7-178.10116.7
998L25.9Very low33.6Very low158 Ų158119.2 Ų119.283%0.82767%0.673SS**  trans-67.1144.7146.5-80.7163.9000108.4G996G996-L998 VanDerWaalsContact C-N 3.28Å; G996-L998 PolarHBondContact O-N 3.07Å
999I27.4Very low35.9Very low153 Ų153114 Ų11479%0.78565%0.645SS**  trans-59.8140.9-173.4-64.7161.8000109.4C1001I999-C1001 PolarHBondContact O-N 3.01Å
1000H23.7Very low38.6Very low177 Ų177109 Ų10982%0.81961%0.613SS**  trans-57.1103.1167-96-87.1000109.1
1001C30.2Very low41.6Very low99 Ų99102 Ų10267%0.66958%0.575SS**  trans-78.9121.9158.2-66.20000106.7I999 D1003I999-C1001 PolarHBondContact O-N 3.01Å; C1001-D1003 PolarHBondContact O-N 3.01Å
1002D28.7Very low45Very low129 Ų12995.3 Ų95.369%0.6954%0.544SS*.  trans-68.9102.2175.8-66.3-54.6000109.9N1004 S1005D1002-N1004 PolarHBondContact O-N 2.87Å; D1002-S1005 PolarHBondContact O-N 3.1Å; D1002-S1005 PolarHBondContact O-OG 3.48Å
1003D35Very low48.4Very low136 Ų13689.2 Ų89.273%0.72751%0.507SS*.G310 helixtrans-56.2-18-174.1-80-50.2000114.2C1001 S1005C1001-D1003 PolarHBondContact O-N 3.01Å; D1003-S1005 PolarHBondContact O-N 2.7Å
1004N34.1Very low51.7Low165 Ų16583.5 Ų83.588%0.88247%0.47SS*.G310 helixtrans-72.314.2-179.9-75.2-29.3000115.5D1002D1002-N1004 PolarHBondContact O-N 2.87Å
1005S46.7Very low54.8Low53 Ų5376.5 Ų76.537%0.37143%0.427SS..G310 helixtrans-136.56.7-174.667.40000116.8D1002 D1003 L1007D1002-S1005 PolarHBondContact O-N 3.1Å; D1002-S1005 PolarHBondContact O-OG 3.48Å; D1003-S1005 PolarHBondContact O-N 2.7Å; S1005-L1007 PolarHBondContact O-N 2.91Å
1006S51.2Low57.9Low37 Ų3771.4 Ų71.426%0.25939%0.392SS..  trans-69.6129.7176.172.80000111.5T1008S1006-T1008 PolarHBondContact O-N 3.28Å; S1006-T1008 VanDerWaalsContact O-N 3.08Å
1007L61.5Low60.7Low28 Ų2868.4 Ų68.415%0.14736%0.362CS..  trans-75.4100.3179.6-16679.4000110.2S1005 S1061 L1202 F1206 L1225S1005-L1007 PolarHBondContact O-N 2.91Å; L1007-S1061 WeakPolarHBondContact O-CB 3.24Å; L1007-L1202 HydrophobicContact CD2-CD2 4.3Å; L1007-F1206 HydrophobicContact CB-CE1 4.44Å; L1007-F1206 HydrophobicContact CB-CZ 3.72Å; L1007-L1225 HydrophobicContact CD1-CB 4.43Å; L1007-L1225 HydrophobicContact CD1-CD1 4.21Å; L1007-L1225 HydrophobicContact CD2-CD1 4.22Å
1008T71.9Confident63.2Low57 Ų5759.1 Ų59.135%0.3532%0.322SS..  trans-85.6144.4170.4570000111S1006 V1060S1006-T1008 PolarHBondContact O-N 3.28Å; S1006-T1008 VanDerWaalsContact O-N 3.08Å; T1008-V1060 CarbonylContact C-O 3.51Å; T1008-V1060 WeakPolarHBondContact CA-O 3Å
1009V82.6Confident65.3Low5 Ų553 Ų533%0.0329%0.29CS..EExtended strand (participates in β ladder)trans-133139.7176.5177.90000109V1060 V1161 L1202V1009-V1060 PolarHBondContact N-O 2.93Å; V1009-V1060 WeakPolarHBondContact O-CB 3.36Å; V1009-V1161 HydrophobicContact CG1-CG2 3.64Å; V1009-L1202 HydrophobicContact CB-CD1 4.44Å; V1009-L1202 HydrophobicContact CG2-CD1 4.4Å; V1009-L1202 HydrophobicContact CG2-CD2 3.86Å
1010R88.4Confident67.5Low18 Ų1846.3 Ų46.37%0.06826%0.255CS..EExtended strand (participates in β ladder)trans-80.8133.1173.8-175173-61.1179.22.4109.8I1012 L1139 F1140 S1141 S1159 V1160 V1161R1010-I1012 HydrophobicContact CG-CG1 4.44Å; R1010-L1139 PolarHBondContact NH1-O 3.46Å; R1010-F1140 VanDerWaalsContact NH1-C 3.35Å; R1010-F1140 PolarHBondContact NH1-O 3.43Å; R1010-S1141 PolarHBondContact NH1-O 3.21Å; R1010-S1141 PolarHBondContact NH2-O 3.16Å; R1010-S1159 PolarHBondContact N-O 3Å; R1010-V1160 HydrophobicContact CB-CG2 4.46Å; R1010-V1160 CarbonylContact O-C 3.57Å; R1010-V1160 WeakPolarHBondContact O-CA 3.49Å; R1010-V1161 PolarHBondContact O-N 3.2Å
1011V91.8Very high69.3Low0 Ų038.9 Ų38.90%022%0.223CC..EExtended strand (participates in β ladder)trans-114.8128.2175.6-175.30000109.2Y1057 V1060 V1161 I1163 L1195 V1198V1011-Y1057 HydrophobicContact CB-CD2 3.97Å; V1011-Y1057 HydrophobicContact CB-CG 4.5Å; V1011-Y1057 HydrophobicContact CG1-CD2 4.04Å; V1011-Y1057 PolarHBondContact N-O 3.34Å; V1011-Y1057 PolarHBondContact O-N 3Å; V1011-V1060 HydrophobicContact CB-CG2 4.47Å; V1011-V1060 HydrophobicContact CG2-CB 4.2Å; V1011-V1060 HydrophobicContact CG2-CG1 4.33Å; V1011-V1060 HydrophobicContact CG2-CG2 3.9Å; V1011-V1161 CarbonylContact C-O 3.51Å; V1011-V1161 WeakPolarHBondContact CA-O 3.41Å; V1011-V1161 HydrophobicContact CG2-CB 4.44Å; V1011-I1163 HydrophobicContact CG1-CD1 3.29Å; V1011-I1163 HydrophobicContact CG1-CG1 3.85Å; V1011-L1195 HydrophobicContact CB-CD1 4.21Å; V1011-L1195 HydrophobicContact CG1-CD1 4.09Å; V1011-L1195 HydrophobicContact CG2-CD1 4.02Å; V1011-V1198 HydrophobicContact CG2-CG1 3.96Å
1012I94.4Very high70.6Confident0 Ų035 Ų350%020%0.197CC..EExtended strand (participates in β ladder)trans-115.5103.8175.9-60.6176.5000107.6R1010 L1014 V1054 L1139 V1160 V1161 I1162 I1163R1010-I1012 HydrophobicContact CG-CG1 4.44Å; I1012-L1014 HydrophobicContact CG2-CD2 3.9Å; I1012-V1054 HydrophobicContact CG2-CG1 3.83Å; I1012-L1139 HydrophobicContact CD1-CB 4.29Å; I1012-L1139 HydrophobicContact CD1-CD2 4.08Å; I1012-L1139 HydrophobicContact CG1-CD2 4.38Å; I1012-L1139 HydrophobicContact CG2-CD2 3.84Å; I1012-V1160 HydrophobicContact CD1-CG1 3.57Å; I1012-V1160 HydrophobicContact CG1-CG1 3.94Å; I1012-V1161 PolarHBondContact N-O 3.29Å; I1012-I1162 CarbonylContact O-C 3.59Å; I1012-I1162 WeakPolarHBondContact O-CA 3.4Å; I1012-I1163 PolarHBondContact O-N 2.84Å
1013Q95.1Very high71.7Confident1 Ų135.5 Ų35.51%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-93.9132.6176.9-178.1-178.3-12.700110.6L937 I941 V1054 S1055 Y1057 I1163L937-Q1013 PolarHBondContact O-NE2 2.75Å; I941-Q1013 HydrophobicContact CD1-CG 3.71Å; Q1013-V1054 CarbonylContact O-C 3.56Å; Q1013-V1054 VanDerWaalsContact O-CA 3.28Å; Q1013-V1054 WeakPolarHBondContact O-CA 3.25Å; Q1013-S1055 PolarHBondContact N-O 3.1Å; Q1013-S1055 PolarHBondContact O-N 2.94Å; Q1013-Y1057 HydrophobicContact CB-CE2 3.79Å; Q1013-Y1057 PolarHBondContact OE1-OH 3.32Å; Q1013-I1163 CarbonylContact C-O 3.03Å; Q1013-I1163 WeakPolarHBondContact CA-O 3.38Å; Q1013-I1163 HydrophobicContact CB-CB 4.11Å; Q1013-I1163 HydrophobicContact CG-CB 4.06Å; Q1013-I1163 HydrophobicContact CG-CG2 4.12Å
1014L95.5Very high72.5Confident0 Ų032.9 Ų32.90%018%0.175CC..EExtended strand (participates in β ladder)trans-114.299.5-178.6-50.9175.2000107.5I1012 L1052 V1054 I1162 I1163 D1165 L1168 W1173I1012-L1014 HydrophobicContact CG2-CD2 3.9Å; L1014-L1052 HydrophobicContact CB-CD1 4.04Å; L1014-V1054 HydrophobicContact CD2-CB 4.32Å; L1014-V1054 HydrophobicContact CD2-CG1 3.82Å; L1014-V1054 HydrophobicContact CD2-CG2 3.61Å; L1014-I1162 HydrophobicContact CD1-CG2 3.75Å; L1014-I1162 HydrophobicContact CG-CG2 4.22Å; L1014-I1163 PolarHBondContact N-O 3.34Å; L1014-D1165 WeakPolarHBondContact O-CB 3.37Å; L1014-D1165 PolarHBondContact O-N 3.47Å; L1014-L1168 HydrophobicContact CB-CD1 3.97Å; L1014-W1173 HydrophobicContact CD1-CD2 3.36Å; L1014-W1173 VanDerWaalsContact CD1-CE2 3.48Å; L1014-W1173 HydrophobicContact CD1-CE3 3.58Å; L1014-W1173 HydrophobicContact CD1-CG 3.9Å; L1014-W1173 HydrophobicContact CD1-CH2 4.01Å; L1014-W1173 HydrophobicContact CD1-CZ2 3.81Å; L1014-W1173 HydrophobicContact CD1-CZ3 3.9Å
1015C92.4Very high73Confident1 Ų127.1 Ų27.11%0.00715%0.148CC..EExtended strand (participates in β ladder)trans-98.4130-177.7-171.80000111.4Q918 I941 L1052 L1053Q918-C1015 PolarHBondContact NE2-SG 2.8Å; I941-C1015 HydrophobicContact CD1-CB 3.94Å; C1015-L1052 WeakPolarHBondContact O-CA 3.31Å; C1015-L1053 HydrophobicContact CB-CB 4.43Å; C1015-L1053 PolarHBondContact N-O 2.63Å; C1015-L1053 PolarHBondContact O-N 3.46Å
1016L88.7Confident72.9Confident1 Ų130.8 Ų30.81%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-104.2105.2178-179.563.5000110.3R914 Q918 D1018 Y1051 F1078 F1083 D1165 R1167 L1168R914-L1016 PolarHBondContact NH2-O 3.32Å; Q918-L1016 PolarHBondContact NE2-O 3.36Å; L1016-D1018 HydrophobicContact CD1-CB 4.37Å; L1016-D1018 HydrophobicContact CD2-CB 4.35Å; L1016-D1018 HydrophobicContact CG-CB 4.02Å; L1016-D1018 PolarHBondContact O-N 3.17Å; L1016-Y1051 WeakPolarHBondContact CA-O 3.14Å; L1016-F1078 HydrophobicContact CD1-CE1 3.56Å; L1016-F1078 HydrophobicContact CD1-CZ 3.86Å; L1016-F1083 HydrophobicContact CD1-CE1 4.44Å; L1016-D1165 HydrophobicContact CB-CB 3.98Å; L1016-D1165 PolarHBondContact N-OD2 3.14Å; L1016-R1167 HydrophobicContact CD2-CB 3.84Å; L1016-R1167 HydrophobicContact CD2-CG 4.28Å; L1016-L1168 HydrophobicContact CB-CD1 4.15Å; L1016-L1168 HydrophobicContact CB-CG 4.25Å; L1016-L1168 HydrophobicContact CD2-CD2 4.24Å
1017V84.9Confident72.5Confident1 Ų132.4 Ų32.41%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-89.191.7171178.90000108.1Q918 I922 L1020 A1046 G1050 Y1051 L1053Q918-V1017 HydrophobicContact CB-CG2 4.11Å; Q918-V1017 HydrophobicContact CG-CG2 4.03Å; I922-V1017 HydrophobicContact CD1-CG1 4.1Å; I922-V1017 HydrophobicContact CD1-CG2 4.21Å; V1017-L1020 HydrophobicContact CG1-CB 3.94Å; V1017-L1020 HydrophobicContact CG1-CD1 3.86Å; V1017-L1020 HydrophobicContact CG1-CG 3.98Å; V1017-A1046 HydrophobicContact CG1-CB 4.36Å; V1017-G1050 WeakPolarHBondContact O-CA 3.24Å; V1017-Y1051 PolarHBondContact N-O 2.91Å; V1017-Y1051 PolarHBondContact O-N 3.33Å; V1017-L1053 HydrophobicContact CB-CD1 4.11Å; V1017-L1053 HydrophobicContact CG2-CD1 3.51Å
1018D77.3Confident71.8Confident23 Ų2333.2 Ų33.212%0.12317%0.173CC..  trans-120.15.317664.7-21.5000113.9R914 L1016 F1083 R1167R914-D1018 IonicContact NH1-OD1 2.75Å; L1016-D1018 HydrophobicContact CD1-CB 4.37Å; L1016-D1018 HydrophobicContact CD2-CB 4.35Å; L1016-D1018 HydrophobicContact CG-CB 4.02Å; L1016-D1018 PolarHBondContact O-N 3.17Å; D1018-F1083 HydrophobicContact CB-CE1 4.24Å; D1018-F1083 HydrophobicContact CB-CZ 3.76Å; D1018-R1167 VanDerWaalsContact OD2-CD 3.26Å; D1018-R1167 WeakPolarHBondContact OD2-CD 3.31Å; D1018-R1167 IonicContact OD2-CZ 2.68Å; D1018-R1167 IonicContact OD2-NE 3.24Å; D1018-R1167 IonicContact OD2-NH1 3.86Å; D1018-R1167 PolarHBondContact OD2-NH1 2.69Å
1019E70.4Confident70.1Confident30 Ų3034.9 Ų34.914%0.1418%0.179CC..SBendtrans-115.6-14.1-175.1-54.6-170.2125.200114.8L626 P627 R914 R1324L626-E1019 HydrophobicContact CD2-CB 4.22Å; L626-E1019 VanDerWaalsContact CD2-O 3.23Å; L626-E1019 WeakPolarHBondContact CD2-O 3.36Å; P627-E1019 WeakPolarHBondContact CD-O 3.43Å; R914-E1019 IonicContact CZ-OE2 2.76Å; R914-E1019 IonicContact NH1-OE1 2.74Å; R914-E1019 IonicContact NH1-OE2 3.53Å; R914-E1019 PolarHBondContact NH1-OE2 3.38Å; E1019-R1324 VanDerWaalsContact CD-NH2 3.27Å; E1019-R1324 IonicContact OE1-CZ 3.9Å; E1019-R1324 IonicContact OE1-NE 3.06Å; E1019-R1324 PolarHBondContact OE1-NE 2.74Å; E1019-R1324 IonicContact OE1-NH2 3.78Å; E1019-R1324 PolarHBondContact OE1-NH2 3.05Å
1020L72.5Confident67.9Low12 Ų1244.1 Ų44.16%0.06322%0.219CC..  trans-86.3156.8-172.5-71.8-173.3000114.3L625 P915 Q918 W919 I922 V1017 A1046L625-L1020 HydrophobicContact CB-CD2 4.15Å; L625-L1020 HydrophobicContact CD2-CD2 4.1Å; L625-L1020 CarbonylContact O-C 3.58Å; P915-L1020 HydrophobicContact CB-CD2 3.7Å; Q918-L1020 HydrophobicContact CB-CD1 3.73Å; Q918-L1020 HydrophobicContact CB-CG 4.37Å; W919-L1020 HydrophobicContact CB-CD1 3.99Å; I922-L1020 HydrophobicContact CD1-CD1 4.03Å; V1017-L1020 HydrophobicContact CG1-CB 3.94Å; V1017-L1020 HydrophobicContact CG1-CD1 3.86Å; V1017-L1020 HydrophobicContact CG1-CG 3.98Å; L1020-A1046 HydrophobicContact CB-CB 4.17Å
1021S62.2Low65.3Low21 Ų2145.7 Ų45.715%0.14723%0.233CC..  trans-160.3-178.9171.767.50000109.1L625 P627L625-S1021 PolarHBondContact O-N 2.81Å; L625-S1021 PolarHBondContact O-OG 2.81Å; P627-S1021 WeakPolarHBondContact CA-OG 3.42Å; P627-S1021 VanDerWaalsContact CB-CB 3.48Å; P627-S1021 WeakPolarHBondContact CB-OG 3.39Å; P627-S1021 VanDerWaalsContact CD-OG 3.3Å; P627-S1021 WeakPolarHBondContact CD-OG 3.2Å
1022C56.4Low62.6Low17 Ų1753.8 Ų53.812%0.11528%0.276CS..  trans-142.6135.9169.2-146.30000111.3M893 F1024 L1044M893-C1022 VanDerWaalsContact SD-SG 3.6Å; C1022-F1024 PolarHBondContact O-N 2.97Å; C1022-F1024 VanDerWaalsContact SG-CD2 3.58Å; C1022-L1044 HydrophobicContact CB-CB 4.49Å; C1022-L1044 WeakPolarHBondContact CB-O 3.44Å
1023K51.7Low59.7Low139 Ų13959.6 Ų59.660%0.60431%0.307SS*.G310 helixtrans-70.3-7.3-179.1-111.1-170.9-174.1156.40115.6N623 S1025N623-K1023 WeakPolarHBondContact O-CD 3.47Å; N623-K1023 WeakPolarHBondContact O-CE 3.48Å; N623-K1023 PolarHBondContact O-NZ 2.91Å; K1023-S1025 PolarHBondContact O-N 3.4Å
1024F51.9Low56.8Low81 Ų8164.8 Ų64.836%0.35533%0.334SS..G310 helixtrans-79.116176.3-56.9-68.2000112.8I889 M893 C1022 N1026 L1027 L1044I889-F1024 HydrophobicContact CG2-CB 4.46Å; I889-F1024 HydrophobicContact CG2-CD1 3.84Å; I889-F1024 HydrophobicContact CG2-CD2 3.37Å; I889-F1024 HydrophobicContact CG2-CE1 3.84Å; I889-F1024 HydrophobicContact CG2-CE2 3.39Å; I889-F1024 HydrophobicContact CG2-CG 3.62Å; I889-F1024 HydrophobicContact CG2-CZ 3.64Å; M893-F1024 HydrophobicContact SD-CE2 3.94Å; C1022-F1024 PolarHBondContact O-N 2.97Å; C1022-F1024 VanDerWaalsContact SG-CD2 3.58Å; F1024-N1026 PolarHBondContact O-N 3.33Å; F1024-N1026 VanDerWaalsContact O-N 3.17Å; F1024-L1027 PolarHBondContact O-N 3.41Å; F1024-L1027 VanDerWaalsContact O-N 3.1Å; F1024-L1044 HydrophobicContact CD2-CD2 4.11Å
1025S45.4Very low54Low45 Ų4570.8 Ų70.832%0.31536%0.358SS..G310 helixtrans-53.9-34177.473.50000112.6K1023 L1027 I1028 D1029K1023-S1025 PolarHBondContact O-N 3.4Å; S1025-L1027 PolarHBondContact O-N 3.27Å; S1025-I1028 CarbonylContact O-C 3.48Å; S1025-I1028 WeakPolarHBondContact O-CA 3.27Å; S1025-I1028 WeakPolarHBondContact O-CB 3.32Å; S1025-I1028 PolarHBondContact O-N 3.23Å; S1025-D1029 WeakPolarHBondContact CB-OD2 3.47Å; S1025-D1029 WeakPolarHBondContact O-CB 3.37Å; S1025-D1029 PolarHBondContact O-N 2.66Å; S1025-D1029 VanDerWaalsContact O-OD2 3.08Å; S1025-D1029 PolarHBondContact OG-OD2 3.25Å
1026N43.9Very low51.3Low130 Ų13077.1 Ų77.170%0.69539%0.387SS*.G310 helixtrans-57.6-17.2178.3-65.517.4000114.9F1024 D1029F1024-N1026 PolarHBondContact O-N 3.33Å; F1024-N1026 VanDerWaalsContact O-N 3.17Å; N1026-D1029 PolarHBondContact N-OD2 2.89Å
1027L43.7Very low49.1Very low71 Ų7181.1 Ų81.137%0.37241%0.405SS..G310 helixtrans-85-19.6171.4-74.5162.5000113I889 F1024 S1025I889-L1027 HydrophobicContact CD1-CD1 3.43Å; I889-L1027 VanDerWaalsContact CD1-CD1 3.43Å; F1024-L1027 PolarHBondContact O-N 3.41Å; F1024-L1027 VanDerWaalsContact O-N 3.1Å; S1025-L1027 PolarHBondContact O-N 3.27Å
1028I45.7Very low47.2Very low45 Ų4585.2 Ų85.223%0.23143%0.431CS..THydrogen-bonded Turntrans-101.8-30.2-178.1-51.5175.4000110.7M886 S1025 K1030 S1031M886-I1028 HydrophobicContact CE-CG1 4.05Å; S1025-I1028 CarbonylContact O-C 3.48Å; S1025-I1028 WeakPolarHBondContact O-CA 3.27Å; S1025-I1028 WeakPolarHBondContact O-CB 3.32Å; S1025-I1028 PolarHBondContact O-N 3.23Å; I1028-K1030 PolarHBondContact O-N 3.01Å; I1028-S1031 PolarHBondContact O-N 2.84Å; I1028-S1031 PolarHBondContact O-OG 2.93Å
1029D37.9Very low46.1Very low91 Ų9185.4 Ų85.449%0.48743%0.431SS..THydrogen-bonded Turntrans-72.215.4-176-62.3-31.7000114.1S1025 N1026S1025-D1029 WeakPolarHBondContact CB-OD2 3.47Å; S1025-D1029 WeakPolarHBondContact O-CB 3.37Å; S1025-D1029 PolarHBondContact O-N 2.66Å; S1025-D1029 VanDerWaalsContact O-OD2 3.08Å; S1025-D1029 PolarHBondContact OG-OD2 3.25Å; N1026-D1029 PolarHBondContact N-OD2 2.89Å
1030K36Very low45.7Very low199 Ų19985.1 Ų85.187%0.86543%0.432SS*.THydrogen-bonded Turntrans-92.2-7.6173-78.5-169.1175.2-177.70114.2I1028I1028-K1030 PolarHBondContact O-N 3.01Å
1031S33.3Very low44.8Very low51 Ų5188.1 Ų88.136%0.35745%0.453SS..  trans-123.398.8172.253.40000109.3I1028 D1033 Y1035I1028-S1031 PolarHBondContact O-N 2.84Å; I1028-S1031 PolarHBondContact O-OG 2.93Å; S1031-D1033 PolarHBondContact O-N 3.02Å; S1031-Y1035 VanDerWaalsContact OG-CE2 3.28Å; S1031-Y1035 WeakPolarHBondContact OG-CE2 3.38Å
1032D35.2Very low44.8Very low170 Ų17089.5 Ų89.591%0.90946%0.455SS*.  trans-66.6-19.5-179.6-103.5-39.2000113.1
1033D33.4Very low45Very low122 Ų12289 Ų8965%0.65245%0.452SS*.SBendtrans-102.3140.8-175.5-81.5-60.5000113.4S1031S1031-D1033 PolarHBondContact O-N 3.02Å
1034I34.4Very low45Very low111 Ų11182.9 Ų82.957%0.56943%0.426SS*.  trans51.672.2164-42.5166.7000115.8
1035Y36.2Very low45Very low126 Ų12679.8 Ų79.849%0.49442%0.417SS..  trans-126.3112.6159.5-89.6-86.3000112.3S1031 R1047S1031-Y1035 VanDerWaalsContact OG-CE2 3.28Å; S1031-Y1035 WeakPolarHBondContact OG-CE2 3.38Å; Y1035-R1047 PolarHBondContact O-NH1 3.26Å; Y1035-R1047 VanDerWaalsContact O-NH1 3.13Å
1036H36Very low45.2Very low133 Ų13378.4 Ų78.462%0.61641%0.408SS*.  trans-58.9168.5-171.3-72.1-115.1000114.9T1038H1036-T1038 VanDerWaalsContact CB-OG1 3.3Å; H1036-T1038 WeakPolarHBondContact CB-OG1 3.29Å; H1036-T1038 PolarHBondContact O-N 2.85Å
1037H42.9Very low45.3Very low86 Ų8677.3 Ų77.340%0.39839%0.394SS..SBendtrans-72.252.9163.7-65.9-86.2000111.6
1038T45.3Very low45.4Very low87 Ų8778.6 Ų78.653%0.53441%0.41SS..  trans-111.3133.6-178.7-51.50000109.1H1036H1036-T1038 VanDerWaalsContact CB-OG1 3.3Å; H1036-T1038 WeakPolarHBondContact CB-OG1 3.29Å; H1036-T1038 PolarHBondContact O-N 2.85Å
1039I53.7Low46Very low27 Ų2777.3 Ų77.314%0.13841%0.407CS..  trans-68.8134.7174-63-177.6000108.7I922 Y1051 L1053 V1074I922-I1039 HydrophobicContact CG2-CG2 3.36Å; I1039-Y1051 HydrophobicContact CD1-CD1 3.68Å; I1039-Y1051 HydrophobicContact CD1-CE1 4.38Å; I1039-Y1051 HydrophobicContact CD1-CG 3.93Å; I1039-Y1051 HydrophobicContact CG1-CD1 3.46Å; I1039-Y1051 VanDerWaalsContact CG1-CD1 3.46Å; I1039-Y1051 HydrophobicContact CG1-CE1 3.64Å; I1039-Y1051 HydrophobicContact CG1-CG 4.01Å; I1039-L1053 HydrophobicContact CD1-CD1 4.41Å; I1039-V1074 HydrophobicContact CD1-CG1 4Å; I1039-V1074 HydrophobicContact CD1-CG2 3.99Å
1040S61Low47.7Very low23 Ų2373 Ų7316%0.16139%0.385CS..  trans-64.3133.6173.9172.80000110.3Y1042 G1043S1040-Y1042 PolarHBondContact O-N 3.24Å; S1040-Y1042 PolarHBondContact OG-N 2.78Å; S1040-G1043 PolarHBondContact O-N 3.18Å
1041P55.4Low49.9Very low76 Ų7663.6 Ų63.649%0.49434%0.344SS..THydrogen-bonded Turntrans-64.2-6.4177.328.4-36.2000113.5G926G926-P1041 CarbonylContact C-O 3.44Å; G926-P1041 VanDerWaalsContact CA-O 3.23Å; G926-P1041 WeakPolarHBondContact CA-O 3.36Å
1042Y62.4Low52.7Low50 Ų5061.2 Ų61.220%0.19633%0.327CS..THydrogen-bonded Turntrans-110.117174.1-56-51.7000112.9T883 M886 S890 S1040 L1044T883-Y1042 HydrophobicContact CG2-CE2 4.47Å; T883-Y1042 WeakPolarHBondContact O-CE2 3.19Å; M886-Y1042 HydrophobicContact CB-CD2 3.82Å; M886-Y1042 HydrophobicContact CB-CE2 4.3Å; S890-Y1042 VanDerWaalsContact CB-O 3.3Å; S890-Y1042 WeakPolarHBondContact CB-O 3.2Å; S890-Y1042 PolarHBondContact OG-O 3Å; S1040-Y1042 PolarHBondContact O-N 3.24Å; S1040-Y1042 PolarHBondContact OG-N 2.78Å; Y1042-L1044 PolarHBondContact O-N 2.89Å
1043G60.5Low55.4Low5 Ų553.1 Ų53.15%0.05228%0.284CS..SBendtrans70.4-3.4178.600000115.8W919 S1040 G1045W919-G1043 PolarHBondContact NE1-O 2.84Å; W919-G1043 VanDerWaalsContact NE1-O 3.15Å; S1040-G1043 PolarHBondContact O-N 3.18Å; G1043-G1045 PolarHBondContact O-N 3.08Å
1044L51.8Low58.4Low11 Ų1147.3 Ų47.36%0.05825%0.252CS..  trans-736.4-175.7-59.8179.4000114.7M886 I889 M893 W919 C1022 F1024 Y1042M886-L1044 HydrophobicContact CB-CD1 3.89Å; M886-L1044 HydrophobicContact CG-CD1 4.15Å; I889-L1044 HydrophobicContact CG2-CD1 4.41Å; I889-L1044 HydrophobicContact CG2-CD2 4.24Å; M893-L1044 HydrophobicContact SD-CD2 4.5Å; W919-L1044 HydrophobicContact CZ2-CD2 4.27Å; C1022-L1044 HydrophobicContact CB-CB 4.49Å; C1022-L1044 WeakPolarHBondContact CB-O 3.44Å; F1024-L1044 HydrophobicContact CD2-CD2 4.11Å; Y1042-L1044 PolarHBondContact O-N 2.89Å
1045G50.6Low61.2Low16 Ų1642 Ų4217%0.16523%0.225CC..  trans-151.1100.9-167.800000115.5G1043G1043-G1045 PolarHBondContact O-N 3.08Å
1046A49.1Very low63.9Low16 Ų1637.5 Ų37.513%0.13221%0.208CC..  trans-112.6107.2143.800000107.6V1017 L1020 Y1051V1017-A1046 HydrophobicContact CG1-CB 4.36Å; L1020-A1046 HydrophobicContact CB-CB 4.17Å; A1046-Y1051 HydrophobicContact CB-CD2 4.08Å; A1046-Y1051 HydrophobicContact CB-CE2 3.88Å
1047R45.9Very low66.5Low107 Ų10731.2 Ų31.240%0.40418%0.178SC..  trans-75.9171.7169.4-73.7-178.6164.9-150.6-7.7110.2Y1035 G1049Y1035-R1047 PolarHBondContact O-NH1 3.26Å; Y1035-R1047 VanDerWaalsContact O-NH1 3.13Å; R1047-G1049 PolarHBondContact O-N 2.87Å
1048S46.9Very low68.6Low99 Ų9927.3 Ų27.369%0.69216%0.16SC*.SBendtrans-62.523.9-163.476.90000120.4R533R533-S1048 PolarHBondContact NH2-OG 2.83Å
1049G57.7Low70.2Confident17 Ų1723.3 Ų23.318%0.17514%0.137CC..SBendtrans-116.7162.6165.200000111.1R1047 Y1051R1047-G1049 PolarHBondContact O-N 2.87Å; G1049-Y1051 VanDerWaalsContact O-CE2 3.29Å; G1049-Y1051 WeakPolarHBondContact O-CE2 3.43Å
1050G74.7Confident71.5Confident2 Ų222 Ų222%0.02113%0.13CC..  trans-89.7139.8-179.300000112.6V1017 F1083V1017-G1050 WeakPolarHBondContact O-CA 3.24Å; G1050-F1083 VanDerWaalsContact CA-CZ 3.49Å
1051Y82.4Confident72.2Confident1 Ų121 Ų210%0.00412%0.123CC..EExtended strand (participates in β ladder)trans-105.4132178.7-60.3-96.1000110.7L1016 V1017 I1039 A1046 G1049 T1079L1016-Y1051 WeakPolarHBondContact CA-O 3.14Å; V1017-Y1051 PolarHBondContact N-O 2.91Å; V1017-Y1051 PolarHBondContact O-N 3.33Å; I1039-Y1051 HydrophobicContact CD1-CD1 3.68Å; I1039-Y1051 HydrophobicContact CD1-CE1 4.38Å; I1039-Y1051 HydrophobicContact CD1-CG 3.93Å; I1039-Y1051 HydrophobicContact CG1-CD1 3.46Å; I1039-Y1051 VanDerWaalsContact CG1-CD1 3.46Å; I1039-Y1051 HydrophobicContact CG1-CE1 3.64Å; I1039-Y1051 HydrophobicContact CG1-CG 4.01Å; A1046-Y1051 HydrophobicContact CB-CD2 4.08Å; A1046-Y1051 HydrophobicContact CB-CE2 3.88Å; G1049-Y1051 VanDerWaalsContact O-CE2 3.29Å; G1049-Y1051 WeakPolarHBondContact O-CE2 3.43Å; Y1051-T1079 HydrophobicContact CD1-CG2 3.49Å; Y1051-T1079 VanDerWaalsContact CD1-CG2 3.49Å; Y1051-T1079 HydrophobicContact CE1-CG2 3.89Å; Y1051-T1079 HydrophobicContact CG-CG2 4.23Å
1052L91.4Very high72.8Confident0 Ų017.4 Ų17.40%010%0.1CC..EExtended strand (participates in β ladder)trans-97.3105.7170.8175.359.9000108.5L1014 C1015 V1054 M1075 F1078 F1131 L1168L1014-L1052 HydrophobicContact CB-CD1 4.04Å; C1015-L1052 WeakPolarHBondContact O-CA 3.31Å; L1052-V1054 HydrophobicContact CD1-CG2 4.14Å; L1052-V1054 HydrophobicContact CD2-CG2 4.4Å; L1052-V1054 HydrophobicContact CG-CG2 3.93Å; L1052-M1075 HydrophobicContact CB-CB 4.15Å; L1052-M1075 HydrophobicContact CD2-CB 3.97Å; L1052-M1075 HydrophobicContact CD2-CG 4.04Å; L1052-M1075 HydrophobicContact CG-CB 4.02Å; L1052-M1075 HydrophobicContact CG-CG 4.04Å; L1052-M1075 PolarHBondContact O-N 3.2Å; L1052-F1078 HydrophobicContact CB-CB 3.74Å; L1052-F1078 HydrophobicContact CB-CD1 3.62Å; L1052-F1078 HydrophobicContact CB-CD2 4.18Å; L1052-F1078 HydrophobicContact CB-CE1 4.28Å; L1052-F1078 HydrophobicContact CB-CG 3.57Å; L1052-F1078 HydrophobicContact CD2-CB 4.01Å; L1052-F1078 HydrophobicContact CD2-CD2 3.87Å; L1052-F1078 HydrophobicContact CD2-CG 3.98Å; L1052-F1078 HydrophobicContact CG-CG 4.42Å; L1052-F1131 HydrophobicContact CD2-CZ 4.36Å; L1052-L1168 HydrophobicContact CD1-CD1 3.74Å
1053L92.4Very high72.9Confident0 Ų018.5 Ų18.50%011%0.107CC..EExtended strand (participates in β ladder)trans-92.8134.8167.9-67.591.8000108.2I922 L925 L937 C1015 V1017 I1039 T1072 R1073 V1074I922-L1053 HydrophobicContact CG1-CD2 4.09Å; L925-L1053 HydrophobicContact CD2-CD2 3.76Å; L937-L1053 HydrophobicContact CD1-CD2 4.14Å; C1015-L1053 HydrophobicContact CB-CB 4.43Å; C1015-L1053 PolarHBondContact N-O 2.63Å; C1015-L1053 PolarHBondContact O-N 3.46Å; V1017-L1053 HydrophobicContact CB-CD1 4.11Å; V1017-L1053 HydrophobicContact CG2-CD1 3.51Å; I1039-L1053 HydrophobicContact CD1-CD1 4.41Å; L1053-T1072 HydrophobicContact CB-CG2 4.31Å; L1053-T1072 HydrophobicContact CD2-CG2 4.3Å; L1053-R1073 WeakPolarHBondContact CA-O 3.39Å; L1053-V1074 HydrophobicContact CD2-CG2 4.44Å; L1053-V1074 HydrophobicContact CG-CG2 4.34Å
1054V95Very high73.1Confident0 Ų020.1 Ų20.10%012%0.117CC..EExtended strand (participates in β ladder)trans-120.8120179.3179.90000109.3I1012 Q1013 L1014 L1052 T1072 R1073 M1075 W1138 L1139I1012-V1054 HydrophobicContact CG2-CG1 3.83Å; Q1013-V1054 CarbonylContact O-C 3.56Å; Q1013-V1054 VanDerWaalsContact O-CA 3.28Å; Q1013-V1054 WeakPolarHBondContact O-CA 3.25Å; L1014-V1054 HydrophobicContact CD2-CB 4.32Å; L1014-V1054 HydrophobicContact CD2-CG1 3.82Å; L1014-V1054 HydrophobicContact CD2-CG2 3.61Å; L1052-V1054 HydrophobicContact CD1-CG2 4.14Å; L1052-V1054 HydrophobicContact CD2-CG2 4.4Å; L1052-V1054 HydrophobicContact CG-CG2 3.93Å; V1054-T1072 VanDerWaalsContact O-CA 3.32Å; V1054-T1072 WeakPolarHBondContact O-CA 3.46Å; V1054-R1073 PolarHBondContact N-O 3.4Å; V1054-R1073 PolarHBondContact O-N 3.29Å; V1054-M1075 HydrophobicContact CB-CE 4.46Å; V1054-M1075 HydrophobicContact CB-CG 4.23Å; V1054-M1075 HydrophobicContact CG2-CG 3.41Å; V1054-M1075 VanDerWaalsContact CG2-CG 3.41Å; V1054-M1075 HydrophobicContact CG2-SD 4.2Å; V1054-W1138 HydrophobicContact CG1-CH2 4.46Å; V1054-W1138 HydrophobicContact CG1-CZ3 4.19Å; V1054-L1139 HydrophobicContact CG1-CD2 3.7Å
1055S94.2Very high73.7Confident0 Ų021.7 Ų21.70%013%0.125CC..EExtended strand (participates in β ladder)trans-106.2118.3177.4-56.10000109.6Q1013 E1071 T1072Q1013-S1055 PolarHBondContact N-O 3.1Å; Q1013-S1055 PolarHBondContact O-N 2.94Å; S1055-E1071 CarbonylContact C-O 3.57Å; S1055-E1071 WeakPolarHBondContact CA-O 3.41Å; S1055-T1072 WeakPolarHBondContact CB-OG1 3.38Å; S1055-T1072 PolarHBondContact OG-OG1 3.39Å
1056R92.9Very high74.4Confident32 Ų3225.7 Ų25.712%0.12115%0.147CC..EExtended strand (participates in β ladder)trans-94.5115.4174.2-178.1-178.386.2156.78.2107.7V1070 E1071 W1138R1056-V1070 WeakPolarHBondContact O-CA 3.42Å; R1056-E1071 IonicContact CZ-OE1 3.88Å; R1056-E1071 IonicContact CZ-OE2 3.74Å; R1056-E1071 PolarHBondContact N-O 3.49Å; R1056-E1071 IonicContact NE-OE1 3.63Å; R1056-E1071 IonicContact NH2-OE1 2.69Å; R1056-E1071 PolarHBondContact NH2-OE1 3.46Å; R1056-E1071 IonicContact NH2-OE2 2.68Å; R1056-E1071 PolarHBondContact NH2-OE2 2.71Å; R1056-E1071 PolarHBondContact O-N 3.41Å; R1056-W1138 HydrophobicContact CB-CH2 3.83Å; R1056-W1138 HydrophobicContact CB-CZ2 3.63Å; R1056-W1138 PolarHBondContact NH1-O 3.35Å
1057Y89.8Confident75.2Confident1 Ų128.5 Ų28.50%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-106.6128.4172.4-47.6-95000109.7G934 S938 V1011 Q1013 F1068 E1069 V1070 L1195G934-Y1057 PolarHBondContact O-OH 2.9Å; S938-Y1057 WeakPolarHBondContact CA-OH 3.49Å; S938-Y1057 VanDerWaalsContact CB-OH 3.31Å; S938-Y1057 WeakPolarHBondContact CB-OH 3.47Å; S938-Y1057 PolarHBondContact N-OH 3.01Å; V1011-Y1057 HydrophobicContact CB-CD2 3.97Å; V1011-Y1057 HydrophobicContact CB-CG 4.5Å; V1011-Y1057 HydrophobicContact CG1-CD2 4.04Å; V1011-Y1057 PolarHBondContact N-O 3.34Å; V1011-Y1057 PolarHBondContact O-N 3Å; Q1013-Y1057 HydrophobicContact CB-CE2 3.79Å; Q1013-Y1057 PolarHBondContact OE1-OH 3.32Å; Y1057-F1068 AromaticContact CD1-CE2 3.92Å; Y1057-F1068 HydrophobicContact CD1-CE2 3.92Å; Y1057-F1068 AromaticContact CD1-CZ 3.57Å; Y1057-F1068 HydrophobicContact CD1-CZ 3.57Å; Y1057-F1068 HydrophobicContact CE1-CZ 4.19Å; Y1057-F1068 HydrophobicContact CG-CE2 4.47Å; Y1057-E1069 WeakPolarHBondContact CA-O 3.38Å; Y1057-V1070 HydrophobicContact CD1-CB 3.67Å; Y1057-V1070 HydrophobicContact CD1-CG2 3.46Å; Y1057-V1070 VanDerWaalsContact CD1-CG2 3.46Å; Y1057-V1070 HydrophobicContact CE1-CB 4.03Å; Y1057-V1070 HydrophobicContact CE1-CG2 3.44Å; Y1057-V1070 VanDerWaalsContact CE1-CG2 3.44Å; Y1057-V1070 HydrophobicContact CG-CG2 4.25Å; Y1057-L1195 HydrophobicContact CD1-CD2 3.86Å; Y1057-L1195 HydrophobicContact CD2-CD1 4.44Å; Y1057-L1195 HydrophobicContact CD2-CD2 4.44Å; Y1057-L1195 HydrophobicContact CE1-CD2 3.65Å; Y1057-L1195 HydrophobicContact CE2-CD2 4.25Å; Y1057-L1195 HydrophobicContact CG-CD1 4.46Å; Y1057-L1195 HydrophobicContact CG-CD2 4.26Å
1058T86.5Confident76.8Confident3 Ų324.9 Ų24.92%0.01815%0.15CC..EExtended strand (participates in β ladder)trans-108.1164175.138.80000110.4V1060 E1069 E1143T1058-V1060 PolarHBondContact O-N 2.73Å; T1058-E1069 PolarHBondContact N-O 3.16Å; T1058-E1069 PolarHBondContact O-N 2.79Å; T1058-E1069 WeakPolarHBondContact OG1-CB 3.39Å; T1058-E1069 PolarHBondContact OG1-OE2 3.05Å; T1058-E1143 HydrophobicContact CG2-CG 4.48Å
1059G79.1Confident78.5Confident4 Ų425.3 Ų25.34%0.04114%0.141CC..EExtended strand (participates in β ladder)trans60.616.3177.800000116.9S1061 T1067G1059-S1061 PolarHBondContact O-N 2.64Å; G1059-S1061 VanDerWaalsContact O-N 3.11Å; G1059-T1067 WeakPolarHBondContact CA-O 3.38Å; G1059-T1067 PolarHBondContact O-OG1 2.97Å
1060V81.2Confident80Confident0 Ų025.1 Ų25.10%014%0.136CC..EExtended strand (participates in β ladder)trans-69.4109.4-178.2-169.20000109.6T1008 V1009 V1011 T1058 F1068 L1195 V1199 L1202T1008-V1060 CarbonylContact C-O 3.51Å; T1008-V1060 WeakPolarHBondContact CA-O 3Å; V1009-V1060 PolarHBondContact N-O 2.93Å; V1009-V1060 WeakPolarHBondContact O-CB 3.36Å; V1011-V1060 HydrophobicContact CB-CG2 4.47Å; V1011-V1060 HydrophobicContact CG2-CB 4.2Å; V1011-V1060 HydrophobicContact CG2-CG1 4.33Å; V1011-V1060 HydrophobicContact CG2-CG2 3.9Å; T1058-V1060 PolarHBondContact O-N 2.73Å; V1060-F1068 HydrophobicContact CG2-CD2 4.05Å; V1060-F1068 HydrophobicContact CG2-CE2 4.05Å; V1060-L1195 HydrophobicContact CG1-CD1 4.1Å; V1060-L1195 HydrophobicContact CG2-CD1 4.34Å; V1060-V1199 HydrophobicContact CG1-CG2 3.65Å; V1060-L1202 HydrophobicContact CG1-CD1 4.27Å; V1060-L1202 WeakPolarHBondContact O-CD1 3.14Å
1061S76.4Confident80.8Confident1 Ų128 Ų281%0.00715%0.149CC..  trans-123.3164.8178.1101.30000112.2L1007 G1059 Q1063 S1064L1007-S1061 WeakPolarHBondContact O-CB 3.24Å; G1059-S1061 PolarHBondContact O-N 2.64Å; G1059-S1061 VanDerWaalsContact O-N 3.11Å; S1061-Q1063 PolarHBondContact OG-N 3.36Å; S1061-S1064 PolarHBondContact OG-N 3.02Å; S1061-S1064 VanDerWaalsContact OG-N 3.1Å; S1061-S1064 PolarHBondContact OG-O 2.96Å
1062G68.4Low81.3Confident1 Ų128.2 Ų28.21%0.0115%0.15CC..SBendtrans-87.71172.700000115R974R974-G1062 WeakPolarHBondContact CD-O 3.19Å; R974-G1062 PolarHBondContact NH1-O 3.08Å
1063Q64.7Low81.2Confident72 Ų7231.9 Ų31.934%0.33616%0.164SC..SBendtrans-116.1-64-173.8-67-173.5-9.500112.8R974 S1061 F1206R974-Q1063 VanDerWaalsContact CZ-O 3.28Å; R974-Q1063 PolarHBondContact NE-O 2.89Å; R974-Q1063 PolarHBondContact NH2-O 3.15Å; S1061-Q1063 PolarHBondContact OG-N 3.36Å; Q1063-F1206 HydrophobicContact CG-CB 4.49Å; Q1063-F1206 HydrophobicContact CG-CD1 4.16Å; Q1063-F1206 HydrophobicContact CG-CD2 3.7Å; Q1063-F1206 HydrophobicContact CG-CE1 4.25Å; Q1063-F1206 HydrophobicContact CG-CE2 3.83Å; Q1063-F1206 HydrophobicContact CG-CG 3.87Å; Q1063-F1206 HydrophobicContact CG-CZ 4.08Å
1064S64.1Low81.1Confident39 Ų3933.2 Ų33.227%0.27317%0.172SC..  trans-125.6147.5178.2-174.90000110.5S1061 T1066S1061-S1064 PolarHBondContact OG-N 3.02Å; S1061-S1064 VanDerWaalsContact OG-N 3.1Å; S1061-S1064 PolarHBondContact OG-O 2.96Å; S1064-T1066 WeakPolarHBondContact OG-CG2 3.14Å; S1064-T1066 PolarHBondContact OG-N 3.48Å; S1064-T1066 PolarHBondContact OG-OG1 3.35Å
1065L64.9Low80.8Confident44 Ų4433.2 Ų33.223%0.2317%0.172CC..  trans-113.426.1174-65.1172000111.1V978 T1067 F1068V978-L1065 HydrophobicContact CG2-CD1 3.94Å; L1065-T1067 VanDerWaalsContact C-N 3.29Å; L1065-T1067 PolarHBondContact O-N 3.34Å; L1065-F1068 HydrophobicContact CB-CB 4.04Å; L1065-F1068 HydrophobicContact CD2-CB 4.25Å; L1065-F1068 HydrophobicContact CD2-CD2 4.13Å; L1065-F1068 HydrophobicContact CD2-CG 4.49Å; L1065-F1068 WeakPolarHBondContact O-CB 3.4Å; L1065-F1068 PolarHBondContact O-N 2.82Å
1066T63.8Low80.3Confident101 Ų10137.9 Ų37.962%0.6219%0.194SC*.THydrogen-bonded Turntrans-65.8-29.5175.739.40000113.2S1064S1064-T1066 WeakPolarHBondContact OG-CG2 3.14Å; S1064-T1066 PolarHBondContact OG-N 3.48Å; S1064-T1066 PolarHBondContact OG-OG1 3.35Å
1067T67.8Low79.9Confident75 Ų7537.7 Ų37.746%0.4620%0.202SC..THydrogen-bonded Turntrans-9610.7176.253.30000113.3G1059 L1065 E1069G1059-T1067 WeakPolarHBondContact CA-O 3.38Å; G1059-T1067 PolarHBondContact O-OG1 2.97Å; L1065-T1067 VanDerWaalsContact C-N 3.29Å; L1065-T1067 PolarHBondContact O-N 3.34Å; T1067-E1069 PolarHBondContact O-N 3.24Å
1068F78.4Confident79.8Confident30 Ų3037.8 Ų37.813%0.13220%0.203CC..  trans-75.8118.2-176.3177.8-89.4000111.1L931 L985 Y1057 V1060 L1065 V1070 L1195L931-F1068 HydrophobicContact CD1-CE1 4.39Å; L985-F1068 HydrophobicContact CD1-CE1 4.07Å; L985-F1068 HydrophobicContact CD2-CD1 3.49Å; L985-F1068 VanDerWaalsContact CD2-CD1 3.49Å; L985-F1068 HydrophobicContact CD2-CE1 3.5Å; L985-F1068 VanDerWaalsContact CD2-CE1 3.5Å; L985-F1068 HydrophobicContact CD2-CG 4.38Å; L985-F1068 HydrophobicContact CD2-CZ 4.38Å; L985-F1068 HydrophobicContact CG-CE1 4.46Å; Y1057-F1068 AromaticContact CD1-CE2 3.92Å; Y1057-F1068 HydrophobicContact CD1-CE2 3.92Å; Y1057-F1068 AromaticContact CD1-CZ 3.57Å; Y1057-F1068 HydrophobicContact CD1-CZ 3.57Å; Y1057-F1068 HydrophobicContact CE1-CZ 4.19Å; Y1057-F1068 HydrophobicContact CG-CE2 4.47Å; V1060-F1068 HydrophobicContact CG2-CD2 4.05Å; V1060-F1068 HydrophobicContact CG2-CE2 4.05Å; L1065-F1068 HydrophobicContact CB-CB 4.04Å; L1065-F1068 HydrophobicContact CD2-CB 4.25Å; L1065-F1068 HydrophobicContact CD2-CD2 4.13Å; L1065-F1068 HydrophobicContact CD2-CG 4.49Å; L1065-F1068 WeakPolarHBondContact O-CB 3.4Å; L1065-F1068 PolarHBondContact O-N 2.82Å; F1068-V1070 HydrophobicContact CE1-CG1 4.38Å; F1068-L1195 HydrophobicContact CE2-CD2 4.34Å; F1068-L1195 HydrophobicContact CZ-CD2 4.33Å
1069E83.6Confident79.4Confident108 Ų10838.2 Ų38.251%0.50521%0.205SC..EExtended strand (participates in β ladder)trans-124160.5171.3-38.6165.7121.200109.8Y1057 T1058 T1067Y1057-E1069 WeakPolarHBondContact CA-O 3.38Å; T1058-E1069 PolarHBondContact N-O 3.16Å; T1058-E1069 PolarHBondContact O-N 2.79Å; T1058-E1069 WeakPolarHBondContact OG1-CB 3.39Å; T1058-E1069 PolarHBondContact OG1-OE2 3.05Å; T1067-E1069 PolarHBondContact O-N 3.24Å
1070V88.4Confident79.3Confident13 Ų1344.9 Ų44.98%0.07924%0.235CC..EExtended strand (participates in β ladder)trans-144.8137.1174.956.50000111.4Q930 L931 R1056 Y1057 F1068Q930-V1070 WeakPolarHBondContact CB-O 3.19Å; Q930-V1070 WeakPolarHBondContact O-CG1 3.44Å; L931-V1070 HydrophobicContact CD1-CG1 4.01Å; R1056-V1070 WeakPolarHBondContact O-CA 3.42Å; Y1057-V1070 HydrophobicContact CD1-CB 3.67Å; Y1057-V1070 HydrophobicContact CD1-CG2 3.46Å; Y1057-V1070 VanDerWaalsContact CD1-CG2 3.46Å; Y1057-V1070 HydrophobicContact CE1-CB 4.03Å; Y1057-V1070 HydrophobicContact CE1-CG2 3.44Å; Y1057-V1070 VanDerWaalsContact CE1-CG2 3.44Å; Y1057-V1070 HydrophobicContact CG-CG2 4.25Å; F1068-V1070 HydrophobicContact CE1-CG1 4.38Å
1071E91.4Very high79.5Confident64 Ų6445.8 Ų45.830%0.29924%0.241SC..EExtended strand (participates in β ladder)trans-129.6136.1169.9-74.6164.9-12000109.7S1055 R1056 W1138S1055-E1071 CarbonylContact C-O 3.57Å; S1055-E1071 WeakPolarHBondContact CA-O 3.41Å; R1056-E1071 IonicContact CZ-OE1 3.88Å; R1056-E1071 IonicContact CZ-OE2 3.74Å; R1056-E1071 PolarHBondContact N-O 3.49Å; R1056-E1071 IonicContact NE-OE1 3.63Å; R1056-E1071 IonicContact NH2-OE1 2.69Å; R1056-E1071 PolarHBondContact NH2-OE1 3.46Å; R1056-E1071 IonicContact NH2-OE2 2.68Å; R1056-E1071 PolarHBondContact NH2-OE2 2.71Å; R1056-E1071 PolarHBondContact O-N 3.41Å; E1071-W1138 HydrophobicContact CB-CZ2 3.84Å; E1071-W1138 PolarHBondContact OE2-NE1 3.14Å
1072T92.2Very high80Confident4 Ų445.8 Ų45.83%0.02524%0.242CC..EExtended strand (participates in β ladder)trans-118.7133175.6-59.20000110.9L925 Q930 L937 L1053 V1054 S1055L925-T1072 HydrophobicContact CD1-CG2 4.45Å; L925-T1072 HydrophobicContact CD2-CG2 3.93Å; Q930-T1072 PolarHBondContact NE2-O 3.21Å; Q930-T1072 PolarHBondContact OE1-O 3.47Å; L937-T1072 HydrophobicContact CD1-CG2 3.61Å; L1053-T1072 HydrophobicContact CB-CG2 4.31Å; L1053-T1072 HydrophobicContact CD2-CG2 4.3Å; V1054-T1072 VanDerWaalsContact O-CA 3.32Å; V1054-T1072 WeakPolarHBondContact O-CA 3.46Å; S1055-T1072 WeakPolarHBondContact CB-OG1 3.38Å; S1055-T1072 PolarHBondContact OG-OG1 3.39Å
1073R91.1Very high80.8Confident77 Ų7748.6 Ų48.629%0.29125%0.253SS..EExtended strand (participates in β ladder)trans-124.6157.2173.8-67.8-171.7179.5-160.5-0.3111.5L1053 V1054 M1075 D1134 D1135 W1138L1053-R1073 WeakPolarHBondContact CA-O 3.39Å; V1054-R1073 PolarHBondContact N-O 3.4Å; V1054-R1073 PolarHBondContact O-N 3.29Å; R1073-M1075 HydrophobicContact CB-CE 3.59Å; R1073-D1134 IonicContact CZ-OD2 2.69Å; R1073-D1134 IonicContact NH1-OD2 3.5Å; R1073-D1134 PolarHBondContact NH1-OD2 2.96Å; R1073-D1134 IonicContact NH2-OD2 2.91Å; R1073-D1134 PolarHBondContact NH2-OD2 3.37Å; R1073-D1135 IonicContact NH1-OD1 3.35Å; R1073-W1138 HydrophobicContact CB-CH2 3.95Å; R1073-W1138 HydrophobicContact CB-CZ2 4.47Å; R1073-W1138 HydrophobicContact CB-CZ3 4.05Å; R1073-W1138 HydrophobicContact CG-CD2 4.38Å; R1073-W1138 HydrophobicContact CG-CE3 4.34Å; R1073-W1138 HydrophobicContact CG-CH2 3.78Å; R1073-W1138 HydrophobicContact CG-CZ2 3.8Å; R1073-W1138 HydrophobicContact CG-CZ3 4.05Å; R1073-W1138 VanDerWaalsContact CZ-CG 3.49Å
1074V88.7Confident81.9Confident28 Ų2850.7 Ų50.717%0.1726%0.261CS..EExtended strand (participates in β ladder)trans-101118.6174.7-176.10000108.9L925 I1039 L1053 H1076L925-V1074 HydrophobicContact CD2-CG2 4.16Å; I1039-V1074 HydrophobicContact CD1-CG1 4Å; I1039-V1074 HydrophobicContact CD1-CG2 3.99Å; L1053-V1074 HydrophobicContact CD2-CG2 4.44Å; L1053-V1074 HydrophobicContact CG-CG2 4.34Å; V1074-H1076 PolarHBondContact O-CD2 3.27Å; V1074-H1076 PolarHBondContact O-N 2.81Å
1075M89.7Confident83.3Confident0 Ų049.3 Ų49.30%025%0.251CS..  trans-81.284.7-179.4-59.6-68.5102.600110L1052 V1054 R1073 G1077 F1078 F1131 D1135 W1138L1052-M1075 HydrophobicContact CB-CB 4.15Å; L1052-M1075 HydrophobicContact CD2-CB 3.97Å; L1052-M1075 HydrophobicContact CD2-CG 4.04Å; L1052-M1075 HydrophobicContact CG-CB 4.02Å; L1052-M1075 HydrophobicContact CG-CG 4.04Å; L1052-M1075 PolarHBondContact O-N 3.2Å; V1054-M1075 HydrophobicContact CB-CE 4.46Å; V1054-M1075 HydrophobicContact CB-CG 4.23Å; V1054-M1075 HydrophobicContact CG2-CG 3.41Å; V1054-M1075 VanDerWaalsContact CG2-CG 3.41Å; V1054-M1075 HydrophobicContact CG2-SD 4.2Å; R1073-M1075 HydrophobicContact CB-CE 3.59Å; M1075-G1077 VanDerWaalsContact C-N 3.27Å; M1075-G1077 PolarHBondContact O-N 2.9Å; M1075-F1078 WeakPolarHBondContact O-CB 3.43Å; M1075-F1078 PolarHBondContact O-N 3.17Å; M1075-F1078 VanDerWaalsContact O-N 3.12Å; M1075-F1131 HydrophobicContact CG-CD1 4.34Å; M1075-F1131 HydrophobicContact CG-CE1 4Å; M1075-F1131 HydrophobicContact SD-CD1 3.54Å; M1075-F1131 VanDerWaalsContact SD-CD1 3.54Å; M1075-F1131 HydrophobicContact SD-CE1 3.67Å; M1075-D1135 HydrophobicContact CE-CB 4.22Å; M1075-D1135 VanDerWaalsContact CE-OD1 3.27Å; M1075-D1135 WeakPolarHBondContact CE-OD1 3.38Å; M1075-D1135 HydrophobicContact SD-CB 3.94Å; M1075-W1138 HydrophobicContact CE-CZ3 4.3Å
1076H82.9Confident84.4Confident99 Ų9947.7 Ų47.746%0.45824%0.242SC..Hα-helixtrans-58.8-33.1-171.7-74.3-84.6000113.8V1074 F1078 T1079V1074-H1076 PolarHBondContact O-CD2 3.27Å; V1074-H1076 PolarHBondContact O-N 2.81Å; H1076-F1078 VanDerWaalsContact C-N 3.27Å; H1076-F1078 PolarHBondContact O-N 2.79Å; H1076-T1079 WeakPolarHBondContact O-CB 3.49Å; H1076-T1079 PolarHBondContact O-N 3.46Å; H1076-T1079 PolarHBondContact O-OG1 3.17Å
1077G84.7Confident85.6Confident28 Ų2846.3 Ų46.329%0.28923%0.231SC..Hα-helixtrans-60.2-33.6177.300000114M1075 T1079 S1081 E1129M1075-G1077 VanDerWaalsContact C-N 3.27Å; M1075-G1077 PolarHBondContact O-N 2.9Å; G1077-T1079 VanDerWaalsContact C-N 3.34Å; G1077-T1079 PolarHBondContact O-N 3.49Å; G1077-S1081 PolarHBondContact O-OG 3.41Å; G1077-S1081 VanDerWaalsContact O-OG 3.05Å; G1077-E1129 CarbonylContact C-O 3.26Å; G1077-E1129 VanDerWaalsContact C-O 3.26Å; G1077-E1129 WeakPolarHBondContact CA-O 3.43Å
1078F87.1Confident86.8Confident3 Ų344.5 Ų44.51%0.01322%0.221CC..Hα-helixtrans-64.3-37.2173.6-175.3-84.9000112.1L1016 L1052 M1075 H1076 H1080 S1081 G1082 L1086 W1130 L1168L1016-F1078 HydrophobicContact CD1-CE1 3.56Å; L1016-F1078 HydrophobicContact CD1-CZ 3.86Å; L1052-F1078 HydrophobicContact CB-CB 3.74Å; L1052-F1078 HydrophobicContact CB-CD1 3.62Å; L1052-F1078 HydrophobicContact CB-CD2 4.18Å; L1052-F1078 HydrophobicContact CB-CE1 4.28Å; L1052-F1078 HydrophobicContact CB-CG 3.57Å; L1052-F1078 HydrophobicContact CD2-CB 4.01Å; L1052-F1078 HydrophobicContact CD2-CD2 3.87Å; L1052-F1078 HydrophobicContact CD2-CG 3.98Å; L1052-F1078 HydrophobicContact CG-CG 4.42Å; M1075-F1078 WeakPolarHBondContact O-CB 3.43Å; M1075-F1078 PolarHBondContact O-N 3.17Å; M1075-F1078 VanDerWaalsContact O-N 3.12Å; H1076-F1078 VanDerWaalsContact C-N 3.27Å; H1076-F1078 PolarHBondContact O-N 2.79Å; F1078-H1080 PolarHBondContact O-N 3.38Å; F1078-H1080 VanDerWaalsContact O-N 3.12Å; F1078-S1081 PolarHBondContact O-N 3.02Å; F1078-G1082 WeakPolarHBondContact O-CA 3.23Å; F1078-G1082 PolarHBondContact O-N 3.44Å; F1078-L1086 HydrophobicContact CE2-CD1 4.46Å; F1078-L1086 HydrophobicContact CZ-CD1 4.06Å; F1078-W1130 HydrophobicContact CB-CG 4.28Å; F1078-W1130 AromaticContact CD2-CD2 3.72Å; F1078-W1130 HydrophobicContact CD2-CD2 3.72Å; F1078-W1130 AromaticContact CD2-CE2 3.61Å; F1078-W1130 HydrophobicContact CD2-CE3 4.13Å; F1078-W1130 HydrophobicContact CD2-CG 4.08Å; F1078-W1130 HydrophobicContact CD2-CH2 4.31Å; F1078-W1130 AromaticContact CD2-CZ2 3.9Å; F1078-W1130 HydrophobicContact CD2-CZ2 3.9Å; F1078-W1130 HydrophobicContact CD2-CZ3 4.42Å; F1078-W1130 AromaticContact CD2-NE1 3.94Å; F1078-W1130 HydrophobicContact CE2-CD2 4.4Å; F1078-W1130 HydrophobicContact CE2-CH2 4.02Å; F1078-W1130 AromaticContact CE2-CZ2 3.79Å; F1078-W1130 HydrophobicContact CE2-CZ2 3.79Å; F1078-W1130 HydrophobicContact CE2-CZ3 4.42Å; F1078-L1168 HydrophobicContact CE2-CD2 4.38Å; F1078-L1168 HydrophobicContact CZ-CD2 4.31Å
1079T79.1Confident87.6Confident11 Ų1143.3 Ų43.37%0.06722%0.216CC..Hα-helixtrans-60.9-28.8-173.968.50000113.4Y1051 H1076 G1077Y1051-T1079 HydrophobicContact CD1-CG2 3.49Å; Y1051-T1079 VanDerWaalsContact CD1-CG2 3.49Å; Y1051-T1079 HydrophobicContact CE1-CG2 3.89Å; Y1051-T1079 HydrophobicContact CG-CG2 4.23Å; H1076-T1079 WeakPolarHBondContact O-CB 3.49Å; H1076-T1079 PolarHBondContact O-N 3.46Å; H1076-T1079 PolarHBondContact O-OG1 3.17Å; G1077-T1079 VanDerWaalsContact C-N 3.34Å; G1077-T1079 PolarHBondContact O-N 3.49Å
1080H77.6Confident87.8Confident145 Ų14542.1 Ų42.167%0.67121%0.213SC*.Hα-helixtrans-89.7-24.7-178-67.640.3000113.3F1078F1078-H1080 PolarHBondContact O-N 3.38Å; F1078-H1080 VanDerWaalsContact O-N 3.12Å
1081S84.1Confident88.1Confident18 Ų1846.7 Ų46.713%0.12623%0.234CC..Hα-helixtrans-135.5-14.7-164.771.40000115.5G1077 F1078 F1083 K1084 Y1085 W1130G1077-S1081 PolarHBondContact O-OG 3.41Å; G1077-S1081 VanDerWaalsContact O-OG 3.05Å; F1078-S1081 PolarHBondContact O-N 3.02Å; S1081-F1083 PolarHBondContact O-N 3.25Å; S1081-K1084 WeakPolarHBondContact O-CB 3.43Å; S1081-K1084 PolarHBondContact O-N 2.92Å; S1081-Y1085 WeakPolarHBondContact O-CD2 3.3Å; S1081-Y1085 PolarHBondContact O-N 2.87Å; S1081-Y1085 VanDerWaalsContact O-N 3.14Å; S1081-W1130 VanDerWaalsContact OG-CD1 3.25Å; S1081-W1130 PolarHBondContact OG-NE1 3.49Å
1082G86.5Confident88.3Confident2 Ų243.9 Ų43.92%0.02122%0.221CC..Hα-helixtrans-54.7-53.8-168.200000114.3F1078 K1084 Y1085 L1086F1078-G1082 WeakPolarHBondContact O-CA 3.23Å; F1078-G1082 PolarHBondContact O-N 3.44Å; G1082-K1084 PolarHBondContact O-N 3.34Å; G1082-Y1085 PolarHBondContact O-N 3.4Å; G1082-L1086 WeakPolarHBondContact O-CG 3.38Å; G1082-L1086 PolarHBondContact O-N 3.19Å
1083F85.2Confident88.2Confident59 Ų5944.5 Ų44.526%0.25922%0.223SC..Hα-helixtrans-62.9-41.9179.9-63.7-38.8000113.1L1016 D1018 G1050 S1081 Y1085 L1086 D1087L1016-F1083 HydrophobicContact CD1-CE1 4.44Å; D1018-F1083 HydrophobicContact CB-CE1 4.24Å; D1018-F1083 HydrophobicContact CB-CZ 3.76Å; G1050-F1083 VanDerWaalsContact CA-CZ 3.49Å; S1081-F1083 PolarHBondContact O-N 3.25Å; F1083-Y1085 VanDerWaalsContact C-N 3.25Å; F1083-Y1085 PolarHBondContact O-N 3.27Å; F1083-L1086 HydrophobicContact CD1-CD1 4.13Å; F1083-L1086 PolarHBondContact O-N 2.66Å; F1083-D1087 WeakPolarHBondContact O-CB 3.13Å; F1083-D1087 PolarHBondContact O-N 3.02Å
1084K89.2Confident88.2Confident116 Ų11643 Ų4350%0.50422%0.223SC..Hα-helixtrans-55.9-42.9174.9173.8-147.1163.7-147.70110.8S1081 G1082 S1088S1081-K1084 WeakPolarHBondContact O-CB 3.43Å; S1081-K1084 PolarHBondContact O-N 2.92Å; G1082-K1084 PolarHBondContact O-N 3.34Å; K1084-S1088 WeakPolarHBondContact O-CB 3.26Å; K1084-S1088 PolarHBondContact O-N 3.43Å; K1084-S1088 PolarHBondContact O-OG 3.46Å
1085Y92.3Very high88.4Confident11 Ų1144.5 Ų44.54%0.04323%0.228CC..Hα-helixtrans-75.1-32.9-179.9-78-56.4000113.3S1081 G1082 F1083 S1088 F1089 L1122 E1125 M1126 E1129 W1130S1081-Y1085 WeakPolarHBondContact O-CD2 3.3Å; S1081-Y1085 PolarHBondContact O-N 2.87Å; S1081-Y1085 VanDerWaalsContact O-N 3.14Å; G1082-Y1085 PolarHBondContact O-N 3.4Å; F1083-Y1085 VanDerWaalsContact C-N 3.25Å; F1083-Y1085 PolarHBondContact O-N 3.27Å; Y1085-S1088 PolarHBondContact O-N 2.78Å; Y1085-F1089 PolarHBondContact O-N 2.95Å; Y1085-F1089 VanDerWaalsContact O-N 3.09Å; Y1085-L1122 HydrophobicContact CD1-CD1 3.61Å; Y1085-L1122 HydrophobicContact CE1-CD1 4.25Å; Y1085-E1125 HydrophobicContact CE1-CB 3.84Å; Y1085-E1125 WeakPolarHBondContact CE1-OE2 3.16Å; Y1085-E1125 PolarHBondContact OH-OE2 2.72Å; Y1085-M1126 HydrophobicContact CG-CG 4.33Å; Y1085-M1126 WeakPolarHBondContact O-CE 3.31Å; Y1085-E1129 HydrophobicContact CE2-CB 3.89Å; Y1085-E1129 HydrophobicContact CE2-CG 3.86Å; Y1085-W1130 AromaticContact CD2-NE1 3.7Å
1086L89.3Confident88.6Confident10 Ų1044.6 Ų44.65%0.05223%0.229CC..Hα-helixtrans-62.5-50.8169-72.6166.4000111.3F1078 G1082 F1083 S1088 F1089 D1090 L1168 L1171F1078-L1086 HydrophobicContact CE2-CD1 4.46Å; F1078-L1086 HydrophobicContact CZ-CD1 4.06Å; G1082-L1086 WeakPolarHBondContact O-CG 3.38Å; G1082-L1086 PolarHBondContact O-N 3.19Å; F1083-L1086 HydrophobicContact CD1-CD1 4.13Å; F1083-L1086 PolarHBondContact O-N 2.66Å; L1086-S1088 PolarHBondContact O-N 3.07Å; L1086-F1089 WeakPolarHBondContact O-CB 3.43Å; L1086-F1089 PolarHBondContact O-N 3.26Å; L1086-D1090 PolarHBondContact O-N 3.37Å; L1086-L1168 HydrophobicContact CD1-CD2 4.4Å; L1086-L1168 HydrophobicContact CD2-CD2 4.5Å; L1086-L1171 HydrophobicContact CD2-CD1 3.78Å; L1086-L1171 HydrophobicContact CD2-CD2 4.26Å; L1086-L1171 HydrophobicContact CD2-CG 4.12Å
1087D88Confident89Confident71 Ų7142 Ų4238%0.3822%0.218SC..Hα-helixtrans-57.5-38176.9-62.4-18.4000111.3F1083 F1089 D1090 E1091F1083-D1087 WeakPolarHBondContact O-CB 3.13Å; F1083-D1087 PolarHBondContact O-N 3.02Å; D1087-F1089 VanDerWaalsContact C-N 3.33Å; D1087-F1089 PolarHBondContact O-N 3.43Å; D1087-D1090 PolarHBondContact O-N 3.08Å; D1087-E1091 PolarHBondContact O-N 2.82Å; D1087-E1091 VanDerWaalsContact O-N 3.09Å
1088S93.9Very high89.3Confident38 Ų3844 Ų4427%0.26622%0.222SC..Hα-helixtrans-69-27.1176.4-56.50000113.5K1084 Y1085 L1086 I1092K1084-S1088 WeakPolarHBondContact O-CB 3.26Å; K1084-S1088 PolarHBondContact O-N 3.43Å; K1084-S1088 PolarHBondContact O-OG 3.46Å; Y1085-S1088 PolarHBondContact O-N 2.78Å; L1086-S1088 PolarHBondContact O-N 3.07Å; S1088-I1092 PolarHBondContact O-N 3.21Å
1089F94.6Very high89.6Confident4 Ų444 Ų442%0.01822%0.222CC..Hα-helixtrans-75.7-44.2174-179.2-96.5000110.8Y1085 L1086 D1087 E1091 I1092 Q1093 L1119 L1122 M1126 L1171 P1172 W1347Y1085-F1089 PolarHBondContact O-N 2.95Å; Y1085-F1089 VanDerWaalsContact O-N 3.09Å; L1086-F1089 WeakPolarHBondContact O-CB 3.43Å; L1086-F1089 PolarHBondContact O-N 3.26Å; D1087-F1089 VanDerWaalsContact C-N 3.33Å; D1087-F1089 PolarHBondContact O-N 3.43Å; F1089-E1091 VanDerWaalsContact C-N 3.27Å; F1089-E1091 PolarHBondContact O-N 3.23Å; F1089-I1092 PolarHBondContact O-N 2.87Å; F1089-I1092 VanDerWaalsContact O-N 3.14Å; F1089-Q1093 HydrophobicContact CD1-CG 3.88Å; F1089-Q1093 HydrophobicContact CE1-CG 3.6Å; F1089-Q1093 HydrophobicContact CZ-CG 4.03Å; F1089-Q1093 WeakPolarHBondContact O-CG 3.43Å; F1089-Q1093 PolarHBondContact O-N 3.39Å; F1089-L1119 HydrophobicContact CD2-CD1 4.17Å; F1089-L1119 HydrophobicContact CE2-CD1 3.97Å; F1089-L1122 HydrophobicContact CB-CD2 3.9Å; F1089-L1122 HydrophobicContact CD2-CD2 4.17Å; F1089-M1126 HydrophobicContact CB-CE 3.96Å; F1089-L1171 HydrophobicContact CB-CD2 4.19Å; F1089-L1171 HydrophobicContact CD1-CD2 3.78Å; F1089-L1171 HydrophobicContact CD2-CD2 3.89Å; F1089-L1171 HydrophobicContact CE1-CD2 4.04Å; F1089-L1171 HydrophobicContact CE2-CD2 4.15Å; F1089-L1171 HydrophobicContact CG-CD2 3.69Å; F1089-L1171 HydrophobicContact CZ-CD2 4.2Å; F1089-P1172 HydrophobicContact CE2-CG 4.35Å; F1089-W1347 HydrophobicContact CE2-CZ3 4.4Å; F1089-W1347 HydrophobicContact CZ-CE3 4.3Å; F1089-W1347 AromaticContact CZ-CZ3 3.87Å; F1089-W1347 HydrophobicContact CZ-CZ3 3.87Å
1090D88.8Confident89.9Confident83 Ų8347.7 Ų47.744%0.44424%0.24SC..Hα-helixtrans-63-32.9177.6-72.6-17.1000112L1086 D1087 Q1093 T1094L1086-D1090 PolarHBondContact O-N 3.37Å; D1087-D1090 PolarHBondContact O-N 3.08Å; D1090-Q1093 PolarHBondContact O-N 3.18Å; D1090-T1094 WeakPolarHBondContact O-CB 3.45Å; D1090-T1094 PolarHBondContact O-N 3.49Å; D1090-T1094 PolarHBondContact O-OG1 3.36Å
1091E93.7Very high90.5Very high109 Ų10944.9 Ų44.951%0.50924%0.241SC..Hα-helixtrans-59.2-52169.5-168.5-167.4123.200111.8D1087 F1089 Q1093 T1094 E1095 R1118D1087-E1091 PolarHBondContact O-N 2.82Å; D1087-E1091 VanDerWaalsContact O-N 3.09Å; F1089-E1091 VanDerWaalsContact C-N 3.27Å; F1089-E1091 PolarHBondContact O-N 3.23Å; E1091-Q1093 VanDerWaalsContact C-N 3.33Å; E1091-Q1093 PolarHBondContact O-N 2.99Å; E1091-T1094 PolarHBondContact O-N 2.76Å; E1091-E1095 PolarHBondContact O-N 2.85Å; E1091-R1118 IonicContact OE1-CZ 2.68Å; E1091-R1118 IonicContact OE1-NH2 3.93Å; E1091-R1118 PolarHBondContact OE1-NH2 2.95Å
1092I94.8Very high90.8Very high6 Ų645.9 Ų45.93%0.03125%0.245CC..Hα-helixtrans-63.3-38.4179.1-68.7178.9000111.4S1088 F1089 S1096 L1115 R1118 L1119 L1122S1088-I1092 PolarHBondContact O-N 3.21Å; F1089-I1092 PolarHBondContact O-N 2.87Å; F1089-I1092 VanDerWaalsContact O-N 3.14Å; I1092-S1096 WeakPolarHBondContact O-CB 3.26Å; I1092-S1096 PolarHBondContact O-N 3.4Å; I1092-L1115 HydrophobicContact CG2-CD2 4.13Å; I1092-R1118 HydrophobicContact CD1-CB 3.76Å; I1092-R1118 HydrophobicContact CG1-CB 4.46Å; I1092-L1119 HydrophobicContact CG2-CB 4.33Å; I1092-L1122 HydrophobicContact CD1-CB 4.33Å; I1092-L1122 HydrophobicContact CD1-CD2 3.74Å
1093Q91.3Very high91Very high17 Ų1755 Ų558%0.07929%0.287CS..Hα-helixtrans-63.4-43175.2-69-64.2-31.700111.2F1089 D1090 E1091 S1096 L1097F1089-Q1093 HydrophobicContact CD1-CG 3.88Å; F1089-Q1093 HydrophobicContact CE1-CG 3.6Å; F1089-Q1093 HydrophobicContact CZ-CG 4.03Å; F1089-Q1093 WeakPolarHBondContact O-CG 3.43Å; F1089-Q1093 PolarHBondContact O-N 3.39Å; D1090-Q1093 PolarHBondContact O-N 3.18Å; E1091-Q1093 VanDerWaalsContact C-N 3.33Å; E1091-Q1093 PolarHBondContact O-N 2.99Å; Q1093-S1096 WeakPolarHBondContact O-CB 3.47Å; Q1093-S1096 PolarHBondContact O-N 2.7Å; Q1093-L1097 WeakPolarHBondContact O-CG 3.42Å; Q1093-L1097 PolarHBondContact O-N 3.44Å
1094T90.1Very high91.5Very high45 Ų4556.2 Ų56.228%0.27630%0.296SS..Hα-helixtrans-64-50.1178.6-54.50000111.3F526 D1090 E1091 S1096 L1097 D1098F526-T1094 HydrophobicContact CE2-CG2 4.37Å; F526-T1094 HydrophobicContact CZ-CG2 4.43Å; D1090-T1094 WeakPolarHBondContact O-CB 3.45Å; D1090-T1094 PolarHBondContact O-N 3.49Å; D1090-T1094 PolarHBondContact O-OG1 3.36Å; E1091-T1094 PolarHBondContact O-N 2.76Å; T1094-S1096 VanDerWaalsContact C-N 3.27Å; T1094-S1096 PolarHBondContact O-N 2.97Å; T1094-L1097 WeakPolarHBondContact O-CB 3.37Å; T1094-L1097 PolarHBondContact O-N 2.9Å; T1094-L1097 VanDerWaalsContact O-N 3.08Å; T1094-D1098 PolarHBondContact O-N 2.85Å
1095E94.5Very high91.6Very high59 Ų5959.8 Ų59.828%0.27631%0.307SS..Hα-helixtrans-65.6-30178.1-168.1-175.1137.100112.3E1091 S1099 L1115 R1118E1091-E1095 PolarHBondContact O-N 2.85Å; E1095-S1099 VanDerWaalsContact O-CB 3.3Å; E1095-S1099 WeakPolarHBondContact O-CB 3.24Å; E1095-S1099 PolarHBondContact O-N 3.04Å; E1095-S1099 PolarHBondContact O-OG 2.79Å; E1095-L1115 HydrophobicContact CB-CD2 3.92Å; E1095-L1115 HydrophobicContact CG-CD1 4.3Å; E1095-L1115 HydrophobicContact CG-CD2 3.97Å; E1095-R1118 VanDerWaalsContact CD-NH1 3.29Å; E1095-R1118 IonicContact OE1-NH1 2.62Å; E1095-R1118 PolarHBondContact OE1-NH1 3.43Å; E1095-R1118 IonicContact OE2-CZ 3.28Å; E1095-R1118 IonicContact OE2-NH1 3.96Å; E1095-R1118 PolarHBondContact OE2-NH1 3.03Å; E1095-R1118 IonicContact OE2-NH2 3.9Å
1096S93.2Very high91.7Very high3 Ų361.4 Ų61.42%0.02132%0.322CS..Hα-helixtrans-63.9-42.1170.8-173.50000112.2I1092 Q1093 T1094 S1099 R1112I1092-S1096 WeakPolarHBondContact O-CB 3.26Å; I1092-S1096 PolarHBondContact O-N 3.4Å; Q1093-S1096 WeakPolarHBondContact O-CB 3.47Å; Q1093-S1096 PolarHBondContact O-N 2.7Å; T1094-S1096 VanDerWaalsContact C-N 3.27Å; T1094-S1096 PolarHBondContact O-N 2.97Å; S1096-S1099 PolarHBondContact O-OG 3.19Å; S1096-R1112 PolarHBondContact O-NH2 3.15Å
1097L90.1Very high91.9Very high44 Ų4465.2 Ų65.223%0.2334%0.34CS..Hα-helixtrans-63.7-51.7173.1-64.4175.3000111.1Q1093 T1094 S1099 M1100 D1348Q1093-L1097 WeakPolarHBondContact O-CG 3.42Å; Q1093-L1097 PolarHBondContact O-N 3.44Å; T1094-L1097 WeakPolarHBondContact O-CB 3.37Å; T1094-L1097 PolarHBondContact O-N 2.9Å; T1094-L1097 VanDerWaalsContact O-N 3.08Å; L1097-S1099 PolarHBondContact O-N 3.29Å; L1097-M1100 HydrophobicContact CD2-CE 3.72Å; L1097-M1100 WeakPolarHBondContact O-CB 3.37Å; L1097-M1100 PolarHBondContact O-N 2.84Å; L1097-D1348 HydrophobicContact CD2-CB 4.31Å; L1097-D1348 WeakPolarHBondContact CD2-OD2 3.34Å
1098D91.8Very high92.2Very high71 Ų7163.7 Ų63.738%0.3833%0.329SS..Hα-helixtrans-57.6-37.1-179.7-70.2-17.3000112.4F522 T1094 M1100 A1101F522-D1098 VanDerWaalsContact CE1-OD1 3.28Å; F522-D1098 WeakPolarHBondContact CE1-OD1 3.37Å; T1094-D1098 PolarHBondContact O-N 2.85Å; D1098-M1100 PolarHBondContact O-N 3.36Å; D1098-M1100 VanDerWaalsContact O-N 3.07Å; D1098-A1101 WeakPolarHBondContact O-CB 3.31Å; D1098-A1101 PolarHBondContact O-N 2.96Å
1099S92.6Very high92.3Very high2 Ų265.2 Ų65.21%0.01433%0.329CS..G310 helixtrans-62.2-16177.9720000114.3E1095 S1096 L1097 A1101 I1102 Y1108 R1112E1095-S1099 VanDerWaalsContact O-CB 3.3Å; E1095-S1099 WeakPolarHBondContact O-CB 3.24Å; E1095-S1099 PolarHBondContact O-N 3.04Å; E1095-S1099 PolarHBondContact O-OG 2.79Å; S1096-S1099 PolarHBondContact O-OG 3.19Å; L1097-S1099 PolarHBondContact O-N 3.29Å; S1099-A1101 PolarHBondContact O-N 3.46Å; S1099-I1102 PolarHBondContact O-N 2.88Å; S1099-Y1108 WeakPolarHBondContact O-CD2 3.31Å; S1099-Y1108 WeakPolarHBondContact O-CE2 3.45Å; S1099-R1112 PolarHBondContact OG-NE 2.99Å; S1099-R1112 PolarHBondContact OG-NH2 2.77Å
1100M86.8Confident92.3Very high89 Ų8972.6 Ų72.644%0.43836%0.357SS..G310 helixtrans-69.7-20.4172.6-63.3-164.1-7900113.3L1097 D1098 I1102 D1348L1097-M1100 HydrophobicContact CD2-CE 3.72Å; L1097-M1100 WeakPolarHBondContact O-CB 3.37Å; L1097-M1100 PolarHBondContact O-N 2.84Å; D1098-M1100 PolarHBondContact O-N 3.36Å; D1098-M1100 VanDerWaalsContact O-N 3.07Å; M1100-I1102 VanDerWaalsContact C-N 3.35Å; M1100-D1348 HydrophobicContact CE-CB 3.67Å; M1100-D1348 HydrophobicContact SD-CB 4.03Å
1101A89.2Confident92.6Very high85 Ų8569.6 Ų69.670%0.70234%0.341SS*.G310 helixtrans-85.8-0.6176.700000114D1098 S1099 E1103D1098-A1101 WeakPolarHBondContact O-CB 3.31Å; D1098-A1101 PolarHBondContact O-N 2.96Å; S1099-A1101 PolarHBondContact O-N 3.46Å; A1101-E1103 PolarHBondContact O-N 2.92Å
1102I91.9Very high92.7Very high40 Ų4064.4 Ų64.421%0.20532%0.317CS..  trans-80.1107-176.5-58.3173.5000110.9S1099 M1100 H1107 Y1108 T1111S1099-I1102 PolarHBondContact O-N 2.88Å; M1100-I1102 VanDerWaalsContact C-N 3.35Å; I1102-H1107 HydrophobicContact CG2-CB 3.86Å; I1102-Y1108 HydrophobicContact CB-CD2 4.33Å; I1102-T1111 HydrophobicContact CD1-CG2 4.33Å
1103E90.6Very high92.8Very high194 Ų19469.3 Ų69.391%0.90734%0.336SS*.  trans-70-35.7177.4-62.9-169.2160.800114.1A1101 R1105A1101-E1103 PolarHBondContact O-N 2.92Å; E1103-R1105 PolarHBondContact O-N 3.01Å
1104D94.8Very high93.1Very high84 Ų8471.9 Ų71.945%0.44935%0.35SS..  trans-69105.1174.9171.731.6000109.7A1106 H1107 Y1108D1104-A1106 PolarHBondContact O-N 2.88Å; D1104-A1106 VanDerWaalsContact O-N 3.1Å; D1104-A1106 WeakPolarHBondContact OD1-CB 3.31Å; D1104-A1106 PolarHBondContact OD1-N 2.87Å; D1104-H1107 HydrophobicContact CB-CB 4Å; D1104-H1107 PolarHBondContact O-N 2.79Å; D1104-H1107 VanDerWaalsContact O-N 3.1Å; D1104-H1107 VanDerWaalsContact OD2-CB 3.22Å; D1104-H1107 WeakPolarHBondContact OD2-CB 3.45Å; D1104-H1107 PolarHBondContact OD2-N 2.84Å; D1104-Y1108 WeakPolarHBondContact O-CB 3.42Å; D1104-Y1108 PolarHBondContact O-N 2.85Å
1105R91.9Very high93.4Very high190 Ų19069.7 Ų69.772%0.71734%0.337SS*.Hα-helixtrans-50.9-34.4174.9-175.4172.3176.5176.1-2.1112.9E1103 W1109E1103-R1105 PolarHBondContact O-N 3.01Å; R1105-W1109 PolarHBondContact O-N 3.01Å
1106A93.9Very high93.5Very high45 Ų4567.8 Ų67.837%0.37233%0.328SS..Hα-helixtrans-72.1-45.2179.500000111.6D1104 R1110D1104-A1106 PolarHBondContact O-N 2.88Å; D1104-A1106 VanDerWaalsContact O-N 3.1Å; D1104-A1106 WeakPolarHBondContact OD1-CB 3.31Å; D1104-A1106 PolarHBondContact OD1-N 2.87Å; A1106-R1110 WeakPolarHBondContact O-CG 3.42Å; A1106-R1110 PolarHBondContact O-N 2.79Å; A1106-R1110 VanDerWaalsContact O-N 3.11Å
1107H94.5Very high93.7Very high90 Ų9072.7 Ų72.742%0.41735%0.351SS..Hα-helixtrans-61.4-47.3171.6-174.64.3000112.2I1102 D1104 W1109 R1110 T1111I1102-H1107 HydrophobicContact CG2-CB 3.86Å; D1104-H1107 HydrophobicContact CB-CB 4Å; D1104-H1107 PolarHBondContact O-N 2.79Å; D1104-H1107 VanDerWaalsContact O-N 3.1Å; D1104-H1107 VanDerWaalsContact OD2-CB 3.22Å; D1104-H1107 WeakPolarHBondContact OD2-CB 3.45Å; D1104-H1107 PolarHBondContact OD2-N 2.84Å; H1107-W1109 PolarHBondContact O-N 3.45Å; H1107-R1110 VanDerWaalsContact CA-NH1 3.29Å; H1107-R1110 PolarHBondContact O-N 3.26Å; H1107-R1110 VanDerWaalsContact O-N 3.16Å; H1107-T1111 PolarHBondContact CE1-OG1 2.88Å; H1107-T1111 PolarHBondContact ND1-OG1 2.79Å; H1107-T1111 PolarHBondContact O-N 3.16Å; H1107-T1111 PolarHBondContact O-OG1 2.81Å; H1107-T1111 VanDerWaalsContact O-OG1 3.11Å
1108Y94.2Very high94.1Very high39 Ų3973.7 Ų73.715%0.15335%0.352CS..Hα-helixtrans-49.9-53.7177.1176.1-86000111.6S1099 I1102 D1104 T1111 R1112 T1350S1099-Y1108 WeakPolarHBondContact O-CD2 3.31Å; S1099-Y1108 WeakPolarHBondContact O-CE2 3.45Å; I1102-Y1108 HydrophobicContact CB-CD2 4.33Å; D1104-Y1108 WeakPolarHBondContact O-CB 3.42Å; D1104-Y1108 PolarHBondContact O-N 2.85Å; Y1108-T1111 PolarHBondContact O-N 2.72Å; Y1108-R1112 HydrophobicContact CD1-CG 4.34Å; Y1108-R1112 HydrophobicContact CE1-CG 3.96Å; Y1108-R1112 HydrophobicContact CE2-CG 4.41Å; Y1108-R1112 WeakPolarHBondContact O-CB 3.2Å; Y1108-R1112 WeakPolarHBondContact O-CG 3.23Å; Y1108-R1112 PolarHBondContact O-N 3.49Å; Y1108-T1350 WeakPolarHBondContact OH-CG2 3.34Å
1109W94.3Very high94.3Very high71 Ų7170.3 Ų70.327%0.26933%0.334SS..Hα-helixtrans-69.5-36.8-179.4-76.2104.7000112.4R1105 H1107 R1112 Y1113 L1396R1105-W1109 PolarHBondContact O-N 3.01Å; H1107-W1109 PolarHBondContact O-N 3.45Å; W1109-R1112 PolarHBondContact O-N 3.11Å; W1109-Y1113 HydrophobicContact CB-CD2 4.41Å; W1109-Y1113 HydrophobicContact CB-CE2 4.18Å; W1109-Y1113 AromaticContact CE3-CE2 3.96Å; W1109-Y1113 HydrophobicContact CE3-CE2 3.96Å; W1109-Y1113 AromaticContact CE3-CZ 3.96Å; W1109-Y1113 WeakPolarHBondContact O-CD2 3.49Å; W1109-Y1113 PolarHBondContact O-N 2.67Å; W1109-L1396 HydrophobicContact CZ3-CD1 4.17Å; W1109-L1396 HydrophobicContact CZ3-CG 4.32Å
1110R95.9Very high94.4Very high159 Ų15973.2 Ų73.260%0.635%0.347SS*.Hα-helixtrans-59-49.8173.3-73.1-176.6-135.8104.2-0.9111.7A1106 H1107 Y1113 N1114A1106-R1110 WeakPolarHBondContact O-CG 3.42Å; A1106-R1110 PolarHBondContact O-N 2.79Å; A1106-R1110 VanDerWaalsContact O-N 3.11Å; H1107-R1110 VanDerWaalsContact CA-NH1 3.29Å; H1107-R1110 PolarHBondContact O-N 3.26Å; H1107-R1110 VanDerWaalsContact O-N 3.16Å; R1110-Y1113 PolarHBondContact O-N 2.93Å; R1110-N1114 PolarHBondContact O-N 3.21Å; R1110-N1114 VanDerWaalsContact O-N 3.07Å
1111T95.4Very high94.9Very high20 Ų2073 Ų7312%0.12335%0.348CS..Hα-helixtrans-61.7-46.5178-55.70000110.9I1102 H1107 Y1108 Y1113 N1114 L1115I1102-T1111 HydrophobicContact CD1-CG2 4.33Å; H1107-T1111 PolarHBondContact CE1-OG1 2.88Å; H1107-T1111 PolarHBondContact ND1-OG1 2.79Å; H1107-T1111 PolarHBondContact O-N 3.16Å; H1107-T1111 PolarHBondContact O-OG1 2.81Å; H1107-T1111 VanDerWaalsContact O-OG1 3.11Å; Y1108-T1111 PolarHBondContact O-N 2.72Å; T1111-Y1113 PolarHBondContact O-N 2.61Å; T1111-N1114 PolarHBondContact O-N 2.97Å; T1111-L1115 HydrophobicContact CG2-CD1 3.94Å; T1111-L1115 HydrophobicContact CG2-CG 4.4Å; T1111-L1115 WeakPolarHBondContact O-CB 3.44Å; T1111-L1115 WeakPolarHBondContact O-CG 3.45Å; T1111-L1115 PolarHBondContact O-N 3.21Å
1112R95.4Very high95.2Very high0 Ų069.6 Ų69.60%032%0.318CS..Hα-helixtrans-63.1-37179.4-77.7-76.4174.6142.4-13.3113.8S1096 S1099 Y1108 W1109 N1116 L1396S1096-R1112 PolarHBondContact O-NH2 3.15Å; S1099-R1112 PolarHBondContact OG-NE 2.99Å; S1099-R1112 PolarHBondContact OG-NH2 2.77Å; Y1108-R1112 HydrophobicContact CD1-CG 4.34Å; Y1108-R1112 HydrophobicContact CE1-CG 3.96Å; Y1108-R1112 HydrophobicContact CE2-CG 4.41Å; Y1108-R1112 WeakPolarHBondContact O-CB 3.2Å; Y1108-R1112 WeakPolarHBondContact O-CG 3.23Å; Y1108-R1112 PolarHBondContact O-N 3.49Å; W1109-R1112 PolarHBondContact O-N 3.11Å; R1112-N1116 WeakPolarHBondContact O-CB 3.37Å; R1112-N1116 PolarHBondContact O-N 3.11Å; R1112-N1116 VanDerWaalsContact O-N 3.08Å; R1112-L1396 HydrophobicContact CB-CD1 4.1Å; R1112-L1396 HydrophobicContact CB-CD2 4.38Å
1113Y97.2Very high95.4Very high108 Ų10867.8 Ų67.842%0.42431%0.309SS..Hα-helixtrans-69.9-41.4173.5-72.8-57.3000112.1W1109 R1110 T1111 N1116 E1117 L1396W1109-Y1113 HydrophobicContact CB-CD2 4.41Å; W1109-Y1113 HydrophobicContact CB-CE2 4.18Å; W1109-Y1113 AromaticContact CE3-CE2 3.96Å; W1109-Y1113 HydrophobicContact CE3-CE2 3.96Å; W1109-Y1113 AromaticContact CE3-CZ 3.96Å; W1109-Y1113 WeakPolarHBondContact O-CD2 3.49Å; W1109-Y1113 PolarHBondContact O-N 2.67Å; R1110-Y1113 PolarHBondContact O-N 2.93Å; T1111-Y1113 PolarHBondContact O-N 2.61Å; Y1113-N1116 WeakPolarHBondContact O-CB 3.16Å; Y1113-N1116 PolarHBondContact O-N 3.33Å; Y1113-E1117 PolarHBondContact O-N 2.71Å; Y1113-L1396 HydrophobicContact CD1-CD2 3.62Å; Y1113-L1396 HydrophobicContact CE1-CD2 3.79Å; Y1113-L1396 HydrophobicContact CG-CD2 4.42Å
1114N97.4Very high95.5Very high71 Ų7162.8 Ų62.838%0.3829%0.287SS..Hα-helixtrans-64.3-40.7175.7-177.8-107.2000112.4R1110 T1111 N1116 E1117 R1118R1110-N1114 PolarHBondContact O-N 3.21Å; R1110-N1114 VanDerWaalsContact O-N 3.07Å; T1111-N1114 PolarHBondContact O-N 2.97Å; N1114-N1116 VanDerWaalsContact C-N 3.34Å; N1114-N1116 PolarHBondContact O-N 3.45Å; N1114-E1117 PolarHBondContact O-N 2.8Å; N1114-R1118 WeakPolarHBondContact O-CB 3.36Å; N1114-R1118 VanDerWaalsContact O-CG 3.3Å; N1114-R1118 WeakPolarHBondContact O-CG 3.38Å; N1114-R1118 PolarHBondContact O-N 3.29Å; N1114-R1118 WeakPolarHBondContact OD1-CD 3.37Å
1115L96.9Very high95.5Very high0 Ų062 Ų620%028%0.281CS..Hα-helixtrans-62.3-39.2173.3-75.7169.3000112.5I1092 E1095 T1111 R1118 L1119 L1399I1092-L1115 HydrophobicContact CG2-CD2 4.13Å; E1095-L1115 HydrophobicContact CB-CD2 3.92Å; E1095-L1115 HydrophobicContact CG-CD1 4.3Å; E1095-L1115 HydrophobicContact CG-CD2 3.97Å; T1111-L1115 HydrophobicContact CG2-CD1 3.94Å; T1111-L1115 HydrophobicContact CG2-CG 4.4Å; T1111-L1115 WeakPolarHBondContact O-CB 3.44Å; T1111-L1115 WeakPolarHBondContact O-CG 3.45Å; T1111-L1115 PolarHBondContact O-N 3.21Å; L1115-R1118 PolarHBondContact O-N 3.39Å; L1115-L1119 VanDerWaalsContact O-CB 3.26Å; L1115-L1119 WeakPolarHBondContact O-CB 3.25Å; L1115-L1119 PolarHBondContact O-N 3.17Å; L1115-L1399 HydrophobicContact CB-CD2 4Å
1116N96.6Very high95.6Very high18 Ų1853 Ų5310%0.09625%0.246CC..Hα-helixtrans-63-43.2174.9176.298000111.9R1112 Y1113 N1114 L1119 E1120 L1396 K1397 H1398 L1399R1112-N1116 WeakPolarHBondContact O-CB 3.37Å; R1112-N1116 PolarHBondContact O-N 3.11Å; R1112-N1116 VanDerWaalsContact O-N 3.08Å; Y1113-N1116 WeakPolarHBondContact O-CB 3.16Å; Y1113-N1116 PolarHBondContact O-N 3.33Å; N1114-N1116 VanDerWaalsContact C-N 3.34Å; N1114-N1116 PolarHBondContact O-N 3.45Å; N1116-L1119 PolarHBondContact O-N 3.38Å; N1116-E1120 PolarHBondContact O-N 2.78Å; N1116-L1396 HydrophobicContact CB-CD2 4.09Å; N1116-L1396 WeakPolarHBondContact OD1-CA 3.49Å; N1116-K1397 PolarHBondContact OD1-N 3.15Å; N1116-H1398 WeakPolarHBondContact OD1-CA 3.41Å; N1116-H1398 WeakPolarHBondContact OD1-CB 3.31Å; N1116-H1398 PolarHBondContact OD1-N 3.09Å; N1116-L1399 HydrophobicContact CB-CB 4.18Å; N1116-L1399 PolarHBondContact OD1-N 2.89Å
1117E97.3Very high95.6Very high107 Ų10753.6 Ų53.650%0.524%0.239SC..Hα-helixtrans-67.2-42.9176-177.9-173.9-174.400112.2Y1113 N1114 L1119 E1120 N1121Y1113-E1117 PolarHBondContact O-N 2.71Å; N1114-E1117 PolarHBondContact O-N 2.8Å; E1117-L1119 VanDerWaalsContact C-N 3.32Å; E1117-L1119 PolarHBondContact O-N 2.73Å; E1117-E1120 PolarHBondContact O-N 3.42Å; E1117-N1121 PolarHBondContact O-N 2.75Å; E1117-N1121 PolarHBondContact O-ND2 2.86Å
1118R97.6Very high95.4Very high64 Ų6455.8 Ų55.824%0.24224%0.244CC..Hα-helixtrans-60.4-42.2174-74.5170.861.7-173.40.7111.4E1091 I1092 E1095 N1114 L1115 L1122E1091-R1118 IonicContact OE1-CZ 2.68Å; E1091-R1118 IonicContact OE1-NH2 3.93Å; E1091-R1118 PolarHBondContact OE1-NH2 2.95Å; I1092-R1118 HydrophobicContact CD1-CB 3.76Å; I1092-R1118 HydrophobicContact CG1-CB 4.46Å; E1095-R1118 VanDerWaalsContact CD-NH1 3.29Å; E1095-R1118 IonicContact OE1-NH1 2.62Å; E1095-R1118 PolarHBondContact OE1-NH1 3.43Å; E1095-R1118 IonicContact OE2-CZ 3.28Å; E1095-R1118 IonicContact OE2-NH1 3.96Å; E1095-R1118 PolarHBondContact OE2-NH1 3.03Å; E1095-R1118 IonicContact OE2-NH2 3.9Å; N1114-R1118 WeakPolarHBondContact O-CB 3.36Å; N1114-R1118 VanDerWaalsContact O-CG 3.3Å; N1114-R1118 WeakPolarHBondContact O-CG 3.38Å; N1114-R1118 PolarHBondContact O-N 3.29Å; N1114-R1118 WeakPolarHBondContact OD1-CD 3.37Å; L1115-R1118 PolarHBondContact O-N 3.39Å; R1118-L1122 VanDerWaalsContact O-CB 3.22Å; R1118-L1122 WeakPolarHBondContact O-CB 3.37Å; R1118-L1122 PolarHBondContact O-N 3.15Å
1119L96.4Very high95.4Very high0 Ų057.7 Ų57.70%025%0.254CS..Hα-helixtrans-68.1-37.5176.2-177.659.7000112.2F1089 I1092 L1115 N1116 E1117 L1123 W1347 H1398 L1399F1089-L1119 HydrophobicContact CD2-CD1 4.17Å; F1089-L1119 HydrophobicContact CE2-CD1 3.97Å; I1092-L1119 HydrophobicContact CG2-CB 4.33Å; L1115-L1119 VanDerWaalsContact O-CB 3.26Å; L1115-L1119 WeakPolarHBondContact O-CB 3.25Å; L1115-L1119 PolarHBondContact O-N 3.17Å; N1116-L1119 PolarHBondContact O-N 3.38Å; E1117-L1119 VanDerWaalsContact C-N 3.32Å; E1117-L1119 PolarHBondContact O-N 2.73Å; L1119-L1123 HydrophobicContact CD1-CD1 3.99Å; L1119-L1123 HydrophobicContact CD1-CD2 4.46Å; L1119-L1123 HydrophobicContact CD1-CG 4.06Å; L1119-L1123 HydrophobicContact CG-CD1 4.1Å; L1119-L1123 VanDerWaalsContact O-CG 3.22Å; L1119-L1123 WeakPolarHBondContact O-CG 3.25Å; L1119-L1123 PolarHBondContact O-N 3.01Å; L1119-W1347 HydrophobicContact CD2-CH2 4.48Å; L1119-W1347 HydrophobicContact CD2-CZ2 4.08Å; L1119-H1398 HydrophobicContact CD2-CB 4.28Å; L1119-H1398 HydrophobicContact CG-CB 4.39Å; L1119-L1399 HydrophobicContact CD2-CD1 3.93Å
1120E95.1Very high95.3Very high64 Ų6454.4 Ų54.430%0.29924%0.242SC..Hα-helixtrans-59.7-53.8173.1-178.8159.9-146.500111.1N1116 E1117 L1122 L1123 I1124 H1398N1116-E1120 PolarHBondContact O-N 2.78Å; E1117-E1120 PolarHBondContact O-N 3.42Å; E1120-L1122 PolarHBondContact O-N 2.77Å; E1120-L1123 PolarHBondContact O-N 2.7Å; E1120-I1124 HydrophobicContact CG-CD1 3.95Å; E1120-I1124 WeakPolarHBondContact O-CG1 3.38Å; E1120-I1124 PolarHBondContact O-N 3.29Å; E1120-H1398 WeakPolarHBondContact CB-ND1 3.47Å; E1120-H1398 VanDerWaalsContact CG-CE1 3.45Å; E1120-H1398 WeakPolarHBondContact CG-CE1 3.27Å; E1120-H1398 IonicContact OE1-CE1 3.1Å; E1120-H1398 PolarHBondContact OE1-CE1 3.42Å; E1120-H1398 IonicContact OE1-NE2 3.25Å; E1120-H1398 PolarHBondContact OE1-NE2 2.95Å; E1120-H1398 IonicContact OE2-CD2 3.59Å; E1120-H1398 IonicContact OE2-CE1 2.82Å; E1120-H1398 IonicContact OE2-NE2 3.49Å
1121N96.4Very high95.2Very high85 Ų8547.3 Ų47.346%0.45522%0.215SC..Hα-helixtrans-59.9-46.5178.5-72.9-62000112E1117 L1123 I1124 E1125E1117-N1121 PolarHBondContact O-N 2.75Å; E1117-N1121 PolarHBondContact O-ND2 2.86Å; N1121-L1123 VanDerWaalsContact C-N 3.33Å; N1121-L1123 PolarHBondContact O-N 2.91Å; N1121-I1124 PolarHBondContact O-N 2.97Å; N1121-I1124 VanDerWaalsContact O-N 3.13Å; N1121-E1125 WeakPolarHBondContact O-CG 3.48Å; N1121-E1125 PolarHBondContact O-N 3.34Å
1122L96.3Very high94.9Very high12 Ų1250.1 Ų50.16%0.06323%0.233CC..Hα-helixtrans-57.5-42.8-179.6179.163.3000112.7Y1085 F1089 I1092 R1118 E1120 E1125 M1126Y1085-L1122 HydrophobicContact CD1-CD1 3.61Å; Y1085-L1122 HydrophobicContact CE1-CD1 4.25Å; F1089-L1122 HydrophobicContact CB-CD2 3.9Å; F1089-L1122 HydrophobicContact CD2-CD2 4.17Å; I1092-L1122 HydrophobicContact CD1-CB 4.33Å; I1092-L1122 HydrophobicContact CD1-CD2 3.74Å; R1118-L1122 VanDerWaalsContact O-CB 3.22Å; R1118-L1122 WeakPolarHBondContact O-CB 3.37Å; R1118-L1122 PolarHBondContact O-N 3.15Å; E1120-L1122 PolarHBondContact O-N 2.77Å; L1122-E1125 PolarHBondContact O-N 2.93Å; L1122-M1126 HydrophobicContact CD1-CE 4.27Å; L1122-M1126 HydrophobicContact CD2-CE 4.3Å; L1122-M1126 HydrophobicContact CG-CE 4.16Å; L1122-M1126 HydrophobicContact CG-SD 4.45Å; L1122-M1126 WeakPolarHBondContact O-CG 3.35Å; L1122-M1126 PolarHBondContact O-N 2.85Å
1123L94.7Very high94.6Very high3 Ų359.6 Ų59.62%0.01627%0.268CS..Hα-helixtrans-71.2-31.6179.7-63.7172.5000112.2L1119 E1120 N1121 M1126 R1127 P1172 I1176 K1402L1119-L1123 HydrophobicContact CD1-CD1 3.99Å; L1119-L1123 HydrophobicContact CD1-CD2 4.46Å; L1119-L1123 HydrophobicContact CD1-CG 4.06Å; L1119-L1123 HydrophobicContact CG-CD1 4.1Å; L1119-L1123 VanDerWaalsContact O-CG 3.22Å; L1119-L1123 WeakPolarHBondContact O-CG 3.25Å; L1119-L1123 PolarHBondContact O-N 3.01Å; E1120-L1123 PolarHBondContact O-N 2.7Å; N1121-L1123 VanDerWaalsContact C-N 3.33Å; N1121-L1123 PolarHBondContact O-N 2.91Å; L1123-M1126 HydrophobicContact CD2-SD 4.06Å; L1123-R1127 PolarHBondContact O-N 3.13Å; L1123-P1172 HydrophobicContact CD1-CG 4.05Å; L1123-P1172 HydrophobicContact CD2-CG 3.62Å; L1123-I1176 HydrophobicContact CD2-CD1 3.91Å; L1123-I1176 HydrophobicContact CD2-CG1 3.61Å; L1123-K1402 HydrophobicContact CD1-CD 3.52Å
1124I93.5Very high94.3Very high89 Ų8959 Ų5946%0.45627%0.272SS..Hα-helixtrans-68.5-42172.7-66.2165.2000110.4E1120 N1121 R1127 R1128E1120-I1124 HydrophobicContact CG-CD1 3.95Å; E1120-I1124 WeakPolarHBondContact O-CG1 3.38Å; E1120-I1124 PolarHBondContact O-N 3.29Å; N1121-I1124 PolarHBondContact O-N 2.97Å; N1121-I1124 VanDerWaalsContact O-N 3.13Å; I1124-R1127 PolarHBondContact O-N 3.04Å; I1124-R1128 WeakPolarHBondContact O-CB 3.49Å; I1124-R1128 PolarHBondContact O-N 3.12Å; I1124-R1128 VanDerWaalsContact O-N 3.09Å
1125E94.5Very high94Very high67 Ų6756.6 Ų56.631%0.31326%0.259SS..Hα-helixtrans-64.7-47.2174.3-61.1-147.7130.900111.8Y1085 N1121 L1122 R1127 R1128 E1129Y1085-E1125 HydrophobicContact CE1-CB 3.84Å; Y1085-E1125 WeakPolarHBondContact CE1-OE2 3.16Å; Y1085-E1125 PolarHBondContact OH-OE2 2.72Å; N1121-E1125 WeakPolarHBondContact O-CG 3.48Å; N1121-E1125 PolarHBondContact O-N 3.34Å; L1122-E1125 PolarHBondContact O-N 2.93Å; E1125-R1127 VanDerWaalsContact C-N 3.28Å; E1125-R1127 PolarHBondContact O-N 2.71Å; E1125-R1128 PolarHBondContact O-N 2.95Å; E1125-R1128 VanDerWaalsContact O-N 3.15Å; E1125-R1128 IonicContact OE1-CZ 3.51Å; E1125-R1128 IonicContact OE1-NH1 3.57Å; E1125-R1128 IonicContact OE1-NH2 2.74Å; E1125-R1128 PolarHBondContact OE1-NH2 3.11Å; E1125-E1129 WeakPolarHBondContact O-CB 3.37Å; E1125-E1129 WeakPolarHBondContact O-CG 3.39Å; E1125-E1129 PolarHBondContact O-N 3.13Å
1126M94.6Very high93.6Very high0 Ų057.1 Ų57.10%026%0.262CS..Hα-helixtrans-52.2-46.4175.7-78.5177168.700111.9Y1085 F1089 L1122 L1123 W1130 L1171 I1176Y1085-M1126 HydrophobicContact CG-CG 4.33Å; Y1085-M1126 WeakPolarHBondContact O-CE 3.31Å; F1089-M1126 HydrophobicContact CB-CE 3.96Å; L1122-M1126 HydrophobicContact CD1-CE 4.27Å; L1122-M1126 HydrophobicContact CD2-CE 4.3Å; L1122-M1126 HydrophobicContact CG-CE 4.16Å; L1122-M1126 HydrophobicContact CG-SD 4.45Å; L1122-M1126 WeakPolarHBondContact O-CG 3.35Å; L1122-M1126 PolarHBondContact O-N 2.85Å; L1123-M1126 HydrophobicContact CD2-SD 4.06Å; M1126-W1130 HydrophobicContact CB-CD2 4.32Å; M1126-W1130 HydrophobicContact CB-CE3 4.1Å; M1126-W1130 HydrophobicContact CB-CH2 4.31Å; M1126-W1130 HydrophobicContact CB-CZ3 4.08Å; M1126-W1130 HydrophobicContact CE-CH2 3.93Å; M1126-W1130 HydrophobicContact CE-CZ2 4.34Å; M1126-W1130 HydrophobicContact CG-CE3 4.47Å; M1126-W1130 HydrophobicContact CG-CH2 3.81Å; M1126-W1130 HydrophobicContact CG-CZ2 3.94Å; M1126-W1130 HydrophobicContact CG-CZ3 4.08Å; M1126-W1130 WeakPolarHBondContact O-CB 3.43Å; M1126-W1130 PolarHBondContact O-N 3.24Å; M1126-W1130 HydrophobicContact SD-CH2 3.89Å; M1126-W1130 HydrophobicContact SD-CZ3 4.18Å; M1126-L1171 HydrophobicContact CE-CD2 3.85Å; M1126-L1171 HydrophobicContact SD-CD2 4.24Å; M1126-I1176 HydrophobicContact CB-CG2 4.28Å; M1126-I1176 HydrophobicContact SD-CD1 3.86Å
1127R92.8Very high93.2Very high59 Ų5960 Ų6022%0.22328%0.278CS..Hα-helixtrans-62.5-50.1177.5-171.2179.6-177.3-1063.4111.9L1123 I1124 E1125 F1131 L1136 I1176 L1177 D1179L1123-R1127 PolarHBondContact O-N 3.13Å; I1124-R1127 PolarHBondContact O-N 3.04Å; E1125-R1127 VanDerWaalsContact C-N 3.28Å; E1125-R1127 PolarHBondContact O-N 2.71Å; R1127-F1131 PolarHBondContact O-N 2.81Å; R1127-L1136 HydrophobicContact CG-CD1 4.47Å; R1127-I1176 HydrophobicContact CB-CG2 4.46Å; R1127-I1176 WeakPolarHBondContact CB-O 3.23Å; R1127-I1176 WeakPolarHBondContact CD-O 3.25Å; R1127-I1176 WeakPolarHBondContact CG-O 3.34Å; R1127-L1177 PolarHBondContact NE-O 2.88Å; R1127-D1179 IonicContact CZ-OD2 2.77Å; R1127-D1179 VanDerWaalsContact NH1-CG 3.29Å; R1127-D1179 IonicContact NH1-OD2 3.86Å; R1127-D1179 PolarHBondContact NH1-OD2 3.06Å; R1127-D1179 IonicContact NH2-OD2 2.96Å; R1127-D1179 PolarHBondContact NH2-OD2 3.49Å
1128R92.2Very high92.8Very high136 Ų13655.6 Ų55.651%0.51326%0.257SS..Hα-helixtrans-65.9-37.2-174.8-174.8-172.369.8-130.5-2113.4I1124 E1125I1124-R1128 WeakPolarHBondContact O-CB 3.49Å; I1124-R1128 PolarHBondContact O-N 3.12Å; I1124-R1128 VanDerWaalsContact O-N 3.09Å; E1125-R1128 PolarHBondContact O-N 2.95Å; E1125-R1128 VanDerWaalsContact O-N 3.15Å; E1125-R1128 IonicContact OE1-CZ 3.51Å; E1125-R1128 IonicContact OE1-NH1 3.57Å; E1125-R1128 IonicContact OE1-NH2 2.74Å; E1125-R1128 PolarHBondContact OE1-NH2 3.11Å
1129E92.6Very high92.3Very high78 Ų7852.6 Ų52.636%0.36425%0.245SC..Hα-helixtrans-92.3-17.6-173.4-54.8-71.113900112.9G1077 Y1085 E1125G1077-E1129 CarbonylContact C-O 3.26Å; G1077-E1129 VanDerWaalsContact C-O 3.26Å; G1077-E1129 WeakPolarHBondContact CA-O 3.43Å; Y1085-E1129 HydrophobicContact CE2-CB 3.89Å; Y1085-E1129 HydrophobicContact CE2-CG 3.86Å; E1125-E1129 WeakPolarHBondContact O-CB 3.37Å; E1125-E1129 WeakPolarHBondContact O-CG 3.39Å; E1125-E1129 PolarHBondContact O-N 3.13Å
1130W93.1Very high91.8Very high2 Ų254.9 Ų54.91%0.00826%0.255CS..Hα-helixtrans-99.3-33.4-179.1-63.9-10.8000114.4F1078 S1081 Y1085 M1126 L1171 W1173F1078-W1130 HydrophobicContact CB-CG 4.28Å; F1078-W1130 AromaticContact CD2-CD2 3.72Å; F1078-W1130 HydrophobicContact CD2-CD2 3.72Å; F1078-W1130 AromaticContact CD2-CE2 3.61Å; F1078-W1130 HydrophobicContact CD2-CE3 4.13Å; F1078-W1130 HydrophobicContact CD2-CG 4.08Å; F1078-W1130 HydrophobicContact CD2-CH2 4.31Å; F1078-W1130 AromaticContact CD2-CZ2 3.9Å; F1078-W1130 HydrophobicContact CD2-CZ2 3.9Å; F1078-W1130 HydrophobicContact CD2-CZ3 4.42Å; F1078-W1130 AromaticContact CD2-NE1 3.94Å; F1078-W1130 HydrophobicContact CE2-CD2 4.4Å; F1078-W1130 HydrophobicContact CE2-CH2 4.02Å; F1078-W1130 AromaticContact CE2-CZ2 3.79Å; F1078-W1130 HydrophobicContact CE2-CZ2 3.79Å; F1078-W1130 HydrophobicContact CE2-CZ3 4.42Å; S1081-W1130 VanDerWaalsContact OG-CD1 3.25Å; S1081-W1130 PolarHBondContact OG-NE1 3.49Å; Y1085-W1130 AromaticContact CD2-NE1 3.7Å; M1126-W1130 HydrophobicContact CB-CD2 4.32Å; M1126-W1130 HydrophobicContact CB-CE3 4.1Å; M1126-W1130 HydrophobicContact CB-CH2 4.31Å; M1126-W1130 HydrophobicContact CB-CZ3 4.08Å; M1126-W1130 HydrophobicContact CE-CH2 3.93Å; M1126-W1130 HydrophobicContact CE-CZ2 4.34Å; M1126-W1130 HydrophobicContact CG-CE3 4.47Å; M1126-W1130 HydrophobicContact CG-CH2 3.81Å; M1126-W1130 HydrophobicContact CG-CZ2 3.94Å; M1126-W1130 HydrophobicContact CG-CZ3 4.08Å; M1126-W1130 WeakPolarHBondContact O-CB 3.43Å; M1126-W1130 PolarHBondContact O-N 3.24Å; M1126-W1130 HydrophobicContact SD-CH2 3.89Å; M1126-W1130 HydrophobicContact SD-CZ3 4.18Å; W1130-L1171 HydrophobicContact CH2-CD1 3.73Å; W1130-L1171 HydrophobicContact CZ3-CD1 3.85Å; W1130-W1173 HydrophobicContact CE3-CH2 4.02Å; W1130-W1173 HydrophobicContact CE3-CZ3 4.25Å; W1130-W1173 AromaticContact CZ3-CH2 3.63Å; W1130-W1173 HydrophobicContact CZ3-CH2 3.63Å; W1130-W1173 HydrophobicContact CZ3-CZ2 4.38Å; W1130-W1173 HydrophobicContact CZ3-CZ3 4.1Å
1131F92.6Very high90.9Very high10 Ų1054.5 Ų54.54%0.04426%0.26CS..  trans-122.3130.9-172.9-57.1-84000111.2L1052 M1075 R1127 D1135 L1136 L1139 W1173 I1176 L1177L1052-F1131 HydrophobicContact CD2-CZ 4.36Å; M1075-F1131 HydrophobicContact CG-CD1 4.34Å; M1075-F1131 HydrophobicContact CG-CE1 4Å; M1075-F1131 HydrophobicContact SD-CD1 3.54Å; M1075-F1131 VanDerWaalsContact SD-CD1 3.54Å; M1075-F1131 HydrophobicContact SD-CE1 3.67Å; R1127-F1131 PolarHBondContact O-N 2.81Å; F1131-D1135 HydrophobicContact CB-CB 4.38Å; F1131-D1135 HydrophobicContact CD1-CB 4.37Å; F1131-L1136 HydrophobicContact CB-CD1 3.95Å; F1131-L1136 HydrophobicContact CB-CD2 4.22Å; F1131-L1136 HydrophobicContact CB-CG 3.83Å; F1131-L1136 HydrophobicContact CG-CD2 4.43Å; F1131-L1139 HydrophobicContact CD1-CD1 4.39Å; F1131-L1139 HydrophobicContact CE1-CD1 4.34Å; F1131-W1173 HydrophobicContact CE2-CZ3 4.1Å; F1131-W1173 AromaticContact CZ-CZ3 3.91Å; F1131-W1173 HydrophobicContact CZ-CZ3 3.91Å; F1131-I1176 HydrophobicContact CE2-CG2 4.37Å; F1131-L1177 HydrophobicContact CD2-CD2 4.37Å; F1131-L1177 HydrophobicContact CE1-CD2 3.97Å; F1131-L1177 HydrophobicContact CE2-CD2 3.74Å; F1131-L1177 HydrophobicContact CZ-CD2 3.52Å
1132T90.9Very high89.1Confident80 Ų8058.4 Ų58.449%0.49128%0.275SS..  trans-75.5169.4166.471.70000110.4D1134 D1135 L1136T1132-D1134 VanDerWaalsContact C-N 3.29Å; T1132-D1134 PolarHBondContact O-N 3.37Å; T1132-D1134 PolarHBondContact OG1-N 2.73Å; T1132-D1135 VanDerWaalsContact CB-OD2 3.29Å; T1132-D1135 WeakPolarHBondContact CB-OD2 3.45Å; T1132-D1135 WeakPolarHBondContact CG2-OD2 3.11Å; T1132-D1135 PolarHBondContact N-OD2 3.14Å; T1132-D1135 PolarHBondContact O-N 2.57Å; T1132-D1135 VanDerWaalsContact OG1-CG 3.24Å; T1132-D1135 PolarHBondContact OG1-N 2.79Å; T1132-D1135 VanDerWaalsContact OG1-N 3.17Å; T1132-D1135 PolarHBondContact OG1-OD2 3.02Å; T1132-L1136 WeakPolarHBondContact O-CD1 3.45Å; T1132-L1136 PolarHBondContact O-N 3Å
1133R88.2Confident87Confident198 Ų19861.3 Ų61.375%0.74729%0.289SS*.Hα-helixtrans-61.1-39.4171.9-179.4172178166.82.7112L1136 D1137R1133-L1136 PolarHBondContact O-N 2.83Å; R1133-D1137 VanDerWaalsContact CG-OD2 3.27Å; R1133-D1137 WeakPolarHBondContact CG-OD2 3.3Å; R1133-D1137 IonicContact NE-OD2 3.05Å; R1133-D1137 PolarHBondContact NE-OD2 3.35Å; R1133-D1137 VanDerWaalsContact NE-OD2 3.1Å; R1133-D1137 WeakPolarHBondContact O-CB 3.49Å; R1133-D1137 PolarHBondContact O-N 3.05Å
1134D90.4Very high84.5Confident96 Ų9668 Ų6851%0.51332%0.32SS..Hα-helixtrans-64.1-40177.4-174.376000111.8R1073 T1132 L1136 D1137 W1138R1073-D1134 IonicContact CZ-OD2 2.69Å; R1073-D1134 IonicContact NH1-OD2 3.5Å; R1073-D1134 PolarHBondContact NH1-OD2 2.96Å; R1073-D1134 IonicContact NH2-OD2 2.91Å; R1073-D1134 PolarHBondContact NH2-OD2 3.37Å; T1132-D1134 VanDerWaalsContact C-N 3.29Å; T1132-D1134 PolarHBondContact O-N 3.37Å; T1132-D1134 PolarHBondContact OG1-N 2.73Å; D1134-L1136 VanDerWaalsContact C-N 3.32Å; D1134-L1136 PolarHBondContact O-N 3.47Å; D1134-D1137 PolarHBondContact O-N 3.37Å; D1134-W1138 WeakPolarHBondContact O-CB 3.35Å; D1134-W1138 PolarHBondContact O-N 3.47Å
1135D91.1Very high82Confident20 Ų2072 Ų7211%0.10734%0.336CS..Hα-helixtrans-60.7-42.3175.5-60.1-57.4000111.6R1073 M1075 F1131 T1132 L1139R1073-D1135 IonicContact NH1-OD1 3.35Å; M1075-D1135 HydrophobicContact CE-CB 4.22Å; M1075-D1135 VanDerWaalsContact CE-OD1 3.27Å; M1075-D1135 WeakPolarHBondContact CE-OD1 3.38Å; M1075-D1135 HydrophobicContact SD-CB 3.94Å; F1131-D1135 HydrophobicContact CB-CB 4.38Å; F1131-D1135 HydrophobicContact CD1-CB 4.37Å; T1132-D1135 VanDerWaalsContact CB-OD2 3.29Å; T1132-D1135 WeakPolarHBondContact CB-OD2 3.45Å; T1132-D1135 WeakPolarHBondContact CG2-OD2 3.11Å; T1132-D1135 PolarHBondContact N-OD2 3.14Å; T1132-D1135 PolarHBondContact O-N 2.57Å; T1132-D1135 VanDerWaalsContact OG1-CG 3.24Å; T1132-D1135 PolarHBondContact OG1-N 2.79Å; T1132-D1135 VanDerWaalsContact OG1-N 3.17Å; T1132-D1135 PolarHBondContact OG1-OD2 3.02Å; D1135-L1139 WeakPolarHBondContact O-CB 3.37Å; D1135-L1139 WeakPolarHBondContact O-CG 3.32Å; D1135-L1139 PolarHBondContact O-N 3.14Å
1136L89.1Confident79.3Confident12 Ų1272.8 Ų72.86%0.06335%0.348CS..Hα-helixtrans-71-45.4180-71.2156.9000111.8R1127 F1131 T1132 R1133 D1134 W1138 L1139 F1140R1127-L1136 HydrophobicContact CG-CD1 4.47Å; F1131-L1136 HydrophobicContact CB-CD1 3.95Å; F1131-L1136 HydrophobicContact CB-CD2 4.22Å; F1131-L1136 HydrophobicContact CB-CG 3.83Å; F1131-L1136 HydrophobicContact CG-CD2 4.43Å; T1132-L1136 WeakPolarHBondContact O-CD1 3.45Å; T1132-L1136 PolarHBondContact O-N 3Å; R1133-L1136 PolarHBondContact O-N 2.83Å; D1134-L1136 VanDerWaalsContact C-N 3.32Å; D1134-L1136 PolarHBondContact O-N 3.47Å; L1136-W1138 VanDerWaalsContact C-N 3.28Å; L1136-W1138 PolarHBondContact O-N 2.76Å; L1136-L1139 PolarHBondContact O-N 2.92Å; L1136-F1140 WeakPolarHBondContact O-CD2 3.46Å; L1136-F1140 PolarHBondContact O-N 3.28Å; L1136-F1140 VanDerWaalsContact O-N 3.16Å
1137D87.3Confident76.3Confident79 Ų7982.2 Ų82.242%0.42238%0.384SS..Hα-helixtrans-64.6-34.9176.3-70.7-21.2000109.9R1133 D1134 S1141R1133-D1137 VanDerWaalsContact CG-OD2 3.27Å; R1133-D1137 WeakPolarHBondContact CG-OD2 3.3Å; R1133-D1137 IonicContact NE-OD2 3.05Å; R1133-D1137 PolarHBondContact NE-OD2 3.35Å; R1133-D1137 VanDerWaalsContact NE-OD2 3.1Å; R1133-D1137 WeakPolarHBondContact O-CB 3.49Å; R1133-D1137 PolarHBondContact O-N 3.05Å; D1134-D1137 PolarHBondContact O-N 3.37Å; D1137-S1141 WeakPolarHBondContact O-CA 3.41Å; D1137-S1141 VanDerWaalsContact O-CB 3.28Å; D1137-S1141 WeakPolarHBondContact O-CB 3.49Å; D1137-S1141 PolarHBondContact O-N 3.31Å; D1137-S1141 PolarHBondContact O-OG 3.15Å
1138W88.9Confident73.5Confident14 Ų1486.6 Ų86.65%0.05341%0.411CS..Hα-helixtrans-66.1-45.3171.6169.374.3000113.6V1054 R1056 E1071 R1073 M1075 D1134 L1136 F1140V1054-W1138 HydrophobicContact CG1-CH2 4.46Å; V1054-W1138 HydrophobicContact CG1-CZ3 4.19Å; R1056-W1138 HydrophobicContact CB-CH2 3.83Å; R1056-W1138 HydrophobicContact CB-CZ2 3.63Å; R1056-W1138 PolarHBondContact NH1-O 3.35Å; E1071-W1138 HydrophobicContact CB-CZ2 3.84Å; E1071-W1138 PolarHBondContact OE2-NE1 3.14Å; R1073-W1138 HydrophobicContact CB-CH2 3.95Å; R1073-W1138 HydrophobicContact CB-CZ2 4.47Å; R1073-W1138 HydrophobicContact CB-CZ3 4.05Å; R1073-W1138 HydrophobicContact CG-CD2 4.38Å; R1073-W1138 HydrophobicContact CG-CE3 4.34Å; R1073-W1138 HydrophobicContact CG-CH2 3.78Å; R1073-W1138 HydrophobicContact CG-CZ2 3.8Å; R1073-W1138 HydrophobicContact CG-CZ3 4.05Å; R1073-W1138 VanDerWaalsContact CZ-CG 3.49Å; M1075-W1138 HydrophobicContact CE-CZ3 4.3Å; D1134-W1138 WeakPolarHBondContact O-CB 3.35Å; D1134-W1138 PolarHBondContact O-N 3.47Å; L1136-W1138 VanDerWaalsContact C-N 3.28Å; L1136-W1138 PolarHBondContact O-N 2.76Å; W1138-F1140 VanDerWaalsContact C-N 3.27Å; W1138-F1140 PolarHBondContact O-N 2.94Å
1139L88.3Confident70.8Confident0 Ų086.2 Ų86.20%042%0.42CS..Hα-helixtrans-60.7-36.9178.4-73.4169000112.2R1010 I1012 V1054 F1131 D1135 L1136 L1177R1010-L1139 PolarHBondContact NH1-O 3.46Å; I1012-L1139 HydrophobicContact CD1-CB 4.29Å; I1012-L1139 HydrophobicContact CD1-CD2 4.08Å; I1012-L1139 HydrophobicContact CG1-CD2 4.38Å; I1012-L1139 HydrophobicContact CG2-CD2 3.84Å; V1054-L1139 HydrophobicContact CG1-CD2 3.7Å; F1131-L1139 HydrophobicContact CD1-CD1 4.39Å; F1131-L1139 HydrophobicContact CE1-CD1 4.34Å; D1135-L1139 WeakPolarHBondContact O-CB 3.37Å; D1135-L1139 WeakPolarHBondContact O-CG 3.32Å; D1135-L1139 PolarHBondContact O-N 3.14Å; L1136-L1139 PolarHBondContact O-N 2.92Å; L1139-L1177 HydrophobicContact CD1-CD2 4.3Å
1140F84.9Confident67.9Low49 Ų4990.6 Ų90.622%0.21544%0.44CS..Hα-helixtrans-105.2-8.8-172.9-65.3-65.2000115.6R1010 L1136 W1138 L1177 P1187 M1189R1010-F1140 VanDerWaalsContact NH1-C 3.35Å; R1010-F1140 PolarHBondContact NH1-O 3.43Å; L1136-F1140 WeakPolarHBondContact O-CD2 3.46Å; L1136-F1140 PolarHBondContact O-N 3.28Å; L1136-F1140 VanDerWaalsContact O-N 3.16Å; W1138-F1140 VanDerWaalsContact C-N 3.27Å; W1138-F1140 PolarHBondContact O-N 2.94Å; F1140-L1177 HydrophobicContact CE2-CB 4.19Å; F1140-L1177 HydrophobicContact CZ-CB 3.96Å; F1140-P1187 HydrophobicContact CE1-CG 4.46Å; F1140-M1189 HydrophobicContact CE1-CE 4.04Å; F1140-M1189 HydrophobicContact CZ-CE 3.9Å
1141S76.3Confident65Low56 Ų5698.3 Ų98.339%0.39248%0.481SS..PPolyproline II helixtrans-46.4141.3175.1-81.10000113.4R1010 D1137R1010-S1141 PolarHBondContact NH1-O 3.21Å; R1010-S1141 PolarHBondContact NH2-O 3.16Å; D1137-S1141 WeakPolarHBondContact O-CA 3.41Å; D1137-S1141 VanDerWaalsContact O-CB 3.28Å; D1137-S1141 WeakPolarHBondContact O-CB 3.49Å; D1137-S1141 PolarHBondContact O-N 3.31Å; D1137-S1141 PolarHBondContact O-OG 3.15Å
1142Q59.6Low62.1Low167 Ų167106.3 Ų106.378%0.7852%0.515SS*.PPolyproline II helixtrans-81.8155.8174.2-70.1-175.4-17.500111.5
1143E51.8Low59.4Low73 Ų73110.3 Ų110.334%0.34153%0.534SS..PPolyproline II helixtrans-70.7126.9177.7-69.9156.7-159.500110.1T1058 H1145 C1146T1058-E1143 HydrophobicContact CG2-CG 4.48Å; E1143-H1145 PolarHBondContact O-N 2.77Å; E1143-C1146 PolarHBondContact O-N 3.47Å
1144E41.7Very low57Low143 Ų143105.1 Ų105.167%0.66852%0.521SS*.G310 helixtrans-62-28.2-177.8-61.9-157.2123.100112.8C1146 R1147E1144-C1146 PolarHBondContact O-N 3.17Å; E1144-C1146 VanDerWaalsContact O-N 3.16Å; E1144-R1147 WeakPolarHBondContact O-CB 3.23Å; E1144-R1147 WeakPolarHBondContact O-CG 3.37Å; E1144-R1147 PolarHBondContact O-N 2.96Å; E1144-R1147 VanDerWaalsContact O-N 3.14Å
1145H39.9Very low54.6Low173 Ų173111.1 Ų111.180%0.80154%0.538SS*.G310 helixtrans-61.8-20.8179-79.354.7000113.7E1143 R1147E1143-H1145 PolarHBondContact O-N 2.77Å; H1145-R1147 PolarHBondContact O-N 2.9Å
1146C38.6Very low52.5Low84 Ų84115 Ų11557%0.56856%0.559SS**G310 helixtrans-72.2-7.4176.1-76.20000114.2E1143 E1144 N1148E1143-C1146 PolarHBondContact O-N 3.47Å; E1144-C1146 PolarHBondContact O-N 3.17Å; E1144-C1146 VanDerWaalsContact O-N 3.16Å; C1146-N1148 VanDerWaalsContact C-N 3.28Å; C1146-N1148 PolarHBondContact O-N 3.17Å
1147R31.9Very low50.8Low198 Ų198115.4 Ų115.475%0.74756%0.562SS**G310 helixtrans-66.4-21.1-177.5-77.6-175.1172.5167.44115.3E1144 H1145E1144-R1147 WeakPolarHBondContact O-CB 3.23Å; E1144-R1147 WeakPolarHBondContact O-CG 3.37Å; E1144-R1147 PolarHBondContact O-N 2.96Å; E1144-R1147 VanDerWaalsContact O-N 3.14Å; H1145-R1147 PolarHBondContact O-N 2.9Å
1148N33.7Very low49.9Very low150 Ų150113.8 Ų113.880%0.80256%0.56SS**G310 helixtrans-90.1-2.5-171-70.6-1.1000115C1146C1146-N1148 VanDerWaalsContact C-N 3.28Å; C1146-N1148 PolarHBondContact O-N 3.17Å
1149N36.5Very low49.5Very low128 Ų128114.1 Ų114.168%0.68456%0.564SS**  trans-104.3100.9176.2-81.3-28000110.8L1151N1149-L1151 PolarHBondContact O-N 2.84Å
1150E30.6Very low49.6Very low171 Ų171114.2 Ų114.280%0.79957%0.565SS**  trans-70.417.4-177.3-62.6-158.5106.900115.6K1152E1150-K1152 PolarHBondContact O-N 3.09Å
1151L33.5Very low50Low164 Ų164111.9 Ų111.986%0.85955%0.554SS**  trans-7663179.3-74.7170000112.8N1149 N1153N1149-L1151 PolarHBondContact O-N 2.84Å; L1151-N1153 PolarHBondContact O-N 3.3Å
1152K31.5Very low50.9Low177 Ų177109.2 Ų109.277%0.7754%0.536SS*.THydrogen-bonded Turntrans-61100.2164.1-64.3168.1-177.5161.30109.2E1150E1150-K1152 PolarHBondContact O-N 3.09Å
1153N32.8Very low52.6Low165 Ų165101.2 Ų101.288%0.88250%0.499SS*.THydrogen-bonded Turntrans-176.8-7148.9-97.1-17.6000118.4L1151L1151-N1153 PolarHBondContact O-N 3.3Å
1154D38Very low54.6Low89 Ų8998 Ų9848%0.47648%0.484SS..  trans-116.496169.5-104.2-60.5000109.7N1156 K1224 R1415D1154-N1156 VanDerWaalsContact C-N 3.25Å; D1154-N1156 PolarHBondContact O-N 3.06Å; D1154-K1224 VanDerWaalsContact CG-NZ 3.26Å; D1154-K1224 IonicContact OD1-NZ 3.84Å; D1154-K1224 IonicContact OD2-NZ 3.86Å; D1154-K1224 PolarHBondContact OD2-NZ 2.85Å; D1154-R1415 IonicContact OD1-CZ 3.05Å; D1154-R1415 IonicContact OD1-NH2 2.74Å; D1154-R1415 PolarHBondContact OD1-NH2 3.01Å; D1154-R1415 IonicContact OD2-NH2 2.71Å
1155Y40.6Very low56.9Low221 Ų22191.1 Ų91.187%0.86745%0.452SS*.  trans-68.881.4169.2-106.2-87.2000109.7P1157Y1155-P1157 WeakPolarHBondContact O-CD 3.18Å
1156N47.6Very low58.8Low101 Ų10184.4 Ų84.454%0.5442%0.419SS..  trans-94.8105.3179.5-151.542.6000108.8D1154D1154-N1156 VanDerWaalsContact C-N 3.25Å; D1154-N1156 PolarHBondContact O-N 3.06Å
1157P53.9Low60.7Low21 Ų2184.3 Ų84.314%0.13641%0.407CS..PPolyproline II helixtrans-68.9151.1-172.128.6-35.7000112.1Y1155 S1159 C1185 T1382Y1155-P1157 WeakPolarHBondContact O-CD 3.18Å; P1157-S1159 PolarHBondContact O-N 2.94Å; P1157-C1185 HydrophobicContact CB-CB 4.38Å; P1157-T1382 HydrophobicContact CG-CG2 3.71Å
1158A66.7Low63.6Low45 Ų4574.9 Ų74.937%0.37237%0.372SS..PPolyproline II helixtrans-55.7131.5-176.500000112P1187 T1188A1158-P1187 WeakPolarHBondContact O-CA 3.32Å; A1158-P1187 VanDerWaalsContact O-CB 3.24Å; A1158-P1187 WeakPolarHBondContact O-CB 3.35Å; A1158-T1188 PolarHBondContact O-N 2.83Å
1159S81.7Confident66.3Low22 Ų2267.9 Ų67.915%0.15433%0.334CS..EExtended strand (participates in β ladder)trans-88.9125.1173.2-78.40000109.6R1010 P1157R1010-S1159 PolarHBondContact N-O 3Å; P1157-S1159 PolarHBondContact O-N 2.94Å
1160V89.9Confident68.9Low1 Ų164.1 Ų64.11%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-128.9122.4-170.51800000110.2R1010 I1012 T1188 M1189 T1190R1010-V1160 HydrophobicContact CB-CG2 4.46Å; R1010-V1160 CarbonylContact O-C 3.57Å; R1010-V1160 WeakPolarHBondContact O-CA 3.49Å; I1012-V1160 HydrophobicContact CD1-CG1 3.57Å; I1012-V1160 HydrophobicContact CG1-CG1 3.94Å; V1160-T1188 PolarHBondContact N-O 3.2Å; V1160-M1189 HydrophobicContact CG1-CE 4.23Å; V1160-M1189 WeakPolarHBondContact O-CA 3.14Å; V1160-T1190 PolarHBondContact O-N 2.87Å
1161V93.1Very high71.9Confident0 Ų056 Ų560%027%0.273CS..EExtended strand (participates in β ladder)trans-103.1118.8172.6-175.90000109.6V1009 R1010 V1011 I1012 T1190 V1198V1009-V1161 HydrophobicContact CG1-CG2 3.64Å; R1010-V1161 PolarHBondContact O-N 3.2Å; V1011-V1161 CarbonylContact C-O 3.51Å; V1011-V1161 WeakPolarHBondContact CA-O 3.41Å; V1011-V1161 HydrophobicContact CG2-CB 4.44Å; I1012-V1161 PolarHBondContact N-O 3.29Å; V1161-T1190 CarbonylContact C-O 3.56Å; V1161-T1190 WeakPolarHBondContact CA-O 3.26Å; V1161-V1198 HydrophobicContact CB-CG2 4.39Å; V1161-V1198 HydrophobicContact CG1-CG2 3.7Å; V1161-V1198 HydrophobicContact CG2-CG1 4.32Å
1162I95.3Very high74.8Confident0 Ų048.2 Ų48.20%023%0.232CC..EExtended strand (participates in β ladder)trans-85.9133.5175.9-46.2176.3000109.4I1012 L1014 P1164 W1173 E1174 L1177 M1189 T1190 R1191 S1192I1012-I1162 CarbonylContact O-C 3.59Å; I1012-I1162 WeakPolarHBondContact O-CA 3.4Å; L1014-I1162 HydrophobicContact CD1-CG2 3.75Å; L1014-I1162 HydrophobicContact CG-CG2 4.22Å; I1162-P1164 WeakPolarHBondContact O-CD 3.35Å; I1162-W1173 HydrophobicContact CD1-CB 3.66Å; I1162-W1173 HydrophobicContact CG2-CB 4.27Å; I1162-W1173 HydrophobicContact CG2-CG 4.47Å; I1162-E1174 HydrophobicContact CD1-CG 4.03Å; I1162-L1177 HydrophobicContact CD1-CD1 4.37Å; I1162-M1189 HydrophobicContact CD1-CE 3.79Å; I1162-M1189 HydrophobicContact CG1-CE 4.18Å; I1162-T1190 PolarHBondContact N-O 3.01Å; I1162-R1191 HydrophobicContact CB-CB 4.45Å; I1162-R1191 CarbonylContact O-C 3.59Å; I1162-R1191 WeakPolarHBondContact O-CA 3.19Å; I1162-R1191 WeakPolarHBondContact O-CB 3.26Å; I1162-S1192 PolarHBondContact O-N 3.04Å
1163I94.8Very high77.8Confident0 Ų039.8 Ų39.80%020%0.195CC..EExtended strand (participates in β ladder)trans-11889.1171.6-57.5172.7000108.4I941 V1011 I1012 Q1013 L1014 S1194 L1195 V1198I941-I1163 HydrophobicContact CG2-CG2 4.22Å; V1011-I1163 HydrophobicContact CG1-CD1 3.29Å; V1011-I1163 HydrophobicContact CG1-CG1 3.85Å; I1012-I1163 PolarHBondContact O-N 2.84Å; Q1013-I1163 CarbonylContact C-O 3.03Å; Q1013-I1163 WeakPolarHBondContact CA-O 3.38Å; Q1013-I1163 HydrophobicContact CB-CB 4.11Å; Q1013-I1163 HydrophobicContact CG-CB 4.06Å; Q1013-I1163 HydrophobicContact CG-CG2 4.12Å; L1014-I1163 PolarHBondContact N-O 3.34Å; I1163-S1194 VanDerWaalsContact CD1-C 3.45Å; I1163-L1195 HydrophobicContact CD1-CB 4.03Å; I1163-L1195 VanDerWaalsContact CD1-N 3.3Å; I1163-V1198 HydrophobicContact CD1-CG2 4.14Å
1164P94.2Very high80.5Confident4 Ų432.8 Ų32.83%0.02616%0.157CC..EExtended strand (participates in β ladder)trans-83.7136-178.733.9-34.6000111.9I1162 L1168 I1169I1162-P1164 WeakPolarHBondContact O-CD 3.35Å; P1164-L1168 HydrophobicContact CB-CB 4.05Å; P1164-I1169 HydrophobicContact CB-CB 4.33Å; P1164-I1169 HydrophobicContact CG-CB 3.87Å; P1164-I1169 HydrophobicContact CG-CG1 3.84Å
1165D90.1Very high83.1Confident0 Ų029.7 Ų29.70%014%0.139CC..  trans-57.7164.9171.2-146.8-47.1000112.2R914 I941 L1014 L1016 R1167 L1168 I1169R914-D1165 IonicContact CZ-OD1 2.68Å; R914-D1165 IonicContact CZ-OD2 3.64Å; R914-D1165 IonicContact NE-OD1 2.66Å; R914-D1165 IonicContact NH2-OD1 3.22Å; R914-D1165 PolarHBondContact NH2-OD1 3.14Å; R914-D1165 IonicContact NH2-OD2 3.56Å; R914-D1165 PolarHBondContact NH2-OD2 3.26Å; I941-D1165 HydrophobicContact CD1-CB 3.95Å; L1014-D1165 WeakPolarHBondContact O-CB 3.37Å; L1014-D1165 PolarHBondContact O-N 3.47Å; L1016-D1165 HydrophobicContact CB-CB 3.98Å; L1016-D1165 PolarHBondContact N-OD2 3.14Å; D1165-R1167 VanDerWaalsContact C-N 3.31Å; D1165-R1167 PolarHBondContact O-N 3.29Å; D1165-R1167 VanDerWaalsContact O-N 3.11Å; D1165-L1168 HydrophobicContact CB-CD1 4.06Å; D1165-L1168 HydrophobicContact CB-CG 4.14Å; D1165-L1168 CarbonylContact O-C 3.48Å; D1165-L1168 WeakPolarHBondContact O-CA 3.4Å; D1165-L1168 WeakPolarHBondContact O-CB 3.22Å; D1165-L1168 PolarHBondContact O-N 3.4Å; D1165-I1169 PolarHBondContact O-N 3.29Å
1166R79.8Confident85.6Confident31 Ų3119.2 Ų19.212%0.11710%0.098CC..THydrogen-bonded Turntrans-52.1-34.3-171.8178.3-106.9-173.552.318.5117I1169 V1322 G1323 R1324 H1325 P1327R1166-I1169 WeakPolarHBondContact O-CG2 3.47Å; R1166-V1322 PolarHBondContact NH2-O 2.62Å; R1166-G1323 VanDerWaalsContact CZ-O 3.24Å; R1166-G1323 PolarHBondContact NH2-O 3.49Å; R1166-R1324 VanDerWaalsContact CZ-C 3.5Å; R1166-R1324 PolarHBondContact NH1-O 2.8Å; R1166-H1325 PolarHBondContact NH1-O 3.16Å; R1166-H1325 VanDerWaalsContact NH2-N 3.19Å; R1166-H1325 PolarHBondContact NH2-O 3.46Å; R1166-P1327 HydrophobicContact CB-CG 4.47Å; R1166-P1327 HydrophobicContact CG-CG 4.36Å
1167R79.2Confident87.6Confident83 Ų8314.4 Ų14.431%0.3137%0.072SC..THydrogen-bonded Turntrans-89.3-23.2173-66.1-179.965.9-168.1-0.1112.4L1016 D1018 D1165L1016-R1167 HydrophobicContact CD2-CB 3.84Å; L1016-R1167 HydrophobicContact CD2-CG 4.28Å; D1018-R1167 VanDerWaalsContact OD2-CD 3.26Å; D1018-R1167 WeakPolarHBondContact OD2-CD 3.31Å; D1018-R1167 IonicContact OD2-CZ 2.68Å; D1018-R1167 IonicContact OD2-NE 3.24Å; D1018-R1167 IonicContact OD2-NH1 3.86Å; D1018-R1167 PolarHBondContact OD2-NH1 2.69Å; D1165-R1167 VanDerWaalsContact C-N 3.31Å; D1165-R1167 PolarHBondContact O-N 3.29Å; D1165-R1167 VanDerWaalsContact O-N 3.11Å
1168L91.3Very high88.8Confident0 Ų015.7 Ų15.70%07%0.074CC..THydrogen-bonded Turntrans-83.3-27.9-176.1-55.3-173.9000112.2L1014 L1016 L1052 F1078 L1086 P1164 D1165 Y1170 L1171 W1173L1014-L1168 HydrophobicContact CB-CD1 3.97Å; L1016-L1168 HydrophobicContact CB-CD1 4.15Å; L1016-L1168 HydrophobicContact CB-CG 4.25Å; L1016-L1168 HydrophobicContact CD2-CD2 4.24Å; L1052-L1168 HydrophobicContact CD1-CD1 3.74Å; F1078-L1168 HydrophobicContact CE2-CD2 4.38Å; F1078-L1168 HydrophobicContact CZ-CD2 4.31Å; L1086-L1168 HydrophobicContact CD1-CD2 4.4Å; L1086-L1168 HydrophobicContact CD2-CD2 4.5Å; P1164-L1168 HydrophobicContact CB-CB 4.05Å; D1165-L1168 HydrophobicContact CB-CD1 4.06Å; D1165-L1168 HydrophobicContact CB-CG 4.14Å; D1165-L1168 CarbonylContact O-C 3.48Å; D1165-L1168 WeakPolarHBondContact O-CA 3.4Å; D1165-L1168 WeakPolarHBondContact O-CB 3.22Å; D1165-L1168 PolarHBondContact O-N 3.4Å; L1168-Y1170 PolarHBondContact O-N 3.19Å; L1168-L1171 WeakPolarHBondContact O-CB 3.12Å; L1168-L1171 PolarHBondContact O-N 2.94Å; L1168-W1173 HydrophobicContact CB-CZ2 3.87Å; L1168-W1173 HydrophobicContact CD1-CZ2 4.14Å; L1168-W1173 HydrophobicContact CD2-CZ2 4.19Å; L1168-W1173 HydrophobicContact CG-CZ2 4.28Å; L1168-W1173 PolarHBondContact O-NE1 3.31Å
1169I90.8Very high89Confident2 Ų216.3 Ų16.31%0.017%0.071CC..THydrogen-bonded Turntrans-57-23.1-176.3-166.1169.7000114.5P1164 D1165 R1166 L1171 R1191 F1193 P1319 P1327 Y1407P1164-I1169 HydrophobicContact CB-CB 4.33Å; P1164-I1169 HydrophobicContact CG-CB 3.87Å; P1164-I1169 HydrophobicContact CG-CG1 3.84Å; D1165-I1169 PolarHBondContact O-N 3.29Å; R1166-I1169 WeakPolarHBondContact O-CG2 3.47Å; I1169-L1171 VanDerWaalsContact C-N 3.27Å; I1169-L1171 PolarHBondContact O-N 3.18Å; I1169-R1191 PolarHBondContact O-NH1 2.8Å; I1169-F1193 HydrophobicContact CD1-CD1 3.97Å; I1169-F1193 HydrophobicContact CD1-CE1 3.77Å; I1169-P1319 HydrophobicContact CB-CG 4.4Å; I1169-P1319 HydrophobicContact CD1-CB 4.22Å; I1169-P1319 HydrophobicContact CD1-CG 4.35Å; I1169-P1319 HydrophobicContact CG1-CB 4.46Å; I1169-P1319 HydrophobicContact CG1-CG 4.05Å; I1169-P1319 HydrophobicContact CG2-CB 4.11Å; I1169-P1319 HydrophobicContact CG2-CG 3.7Å; I1169-P1327 HydrophobicContact CD1-CB 4.44Å; I1169-P1327 HydrophobicContact CD1-CG 4.04Å; I1169-P1327 HydrophobicContact CG2-CB 4.02Å; I1169-P1327 HydrophobicContact CG2-CG 4Å; I1169-Y1407 HydrophobicContact CD1-CE1 4.36Å
1170Y90.9Very high87.9Confident49 Ų4921.9 Ų21.919%0.1929%0.089CC..THydrogen-bonded Turntrans-69.4-21.3175.3-68.7-77.7000114.1L1168 P1319 S1321L1168-Y1170 PolarHBondContact O-N 3.19Å; Y1170-P1319 HydrophobicContact CD1-CG 3.91Å; Y1170-P1319 HydrophobicContact CE1-CB 4.46Å; Y1170-P1319 HydrophobicContact CE1-CG 3.71Å; Y1170-P1319 WeakPolarHBondContact CE1-O 3.28Å; Y1170-P1319 HydrophobicContact CG-CG 4.41Å; Y1170-P1319 PolarHBondContact OH-O 3.47Å; Y1170-S1321 VanDerWaalsContact OH-CB 3.29Å; Y1170-S1321 WeakPolarHBondContact OH-CB 3.48Å; Y1170-S1321 PolarHBondContact OH-N 2.97Å; Y1170-S1321 PolarHBondContact OH-OG 3.1Å
1171L94.5Very high86.6Confident1 Ų127 Ų271%0.00512%0.116CC..SBendtrans-79.4147.4-177.4-64.6178.8000112.1L1086 F1089 M1126 W1130 L1168 I1169 W1173 I1176 R1191L1086-L1171 HydrophobicContact CD2-CD1 3.78Å; L1086-L1171 HydrophobicContact CD2-CD2 4.26Å; L1086-L1171 HydrophobicContact CD2-CG 4.12Å; F1089-L1171 HydrophobicContact CB-CD2 4.19Å; F1089-L1171 HydrophobicContact CD1-CD2 3.78Å; F1089-L1171 HydrophobicContact CD2-CD2 3.89Å; F1089-L1171 HydrophobicContact CE1-CD2 4.04Å; F1089-L1171 HydrophobicContact CE2-CD2 4.15Å; F1089-L1171 HydrophobicContact CG-CD2 3.69Å; F1089-L1171 HydrophobicContact CZ-CD2 4.2Å; M1126-L1171 HydrophobicContact CE-CD2 3.85Å; M1126-L1171 HydrophobicContact SD-CD2 4.24Å; W1130-L1171 HydrophobicContact CH2-CD1 3.73Å; W1130-L1171 HydrophobicContact CZ3-CD1 3.85Å; L1168-L1171 WeakPolarHBondContact O-CB 3.12Å; L1168-L1171 PolarHBondContact O-N 2.94Å; I1169-L1171 VanDerWaalsContact C-N 3.27Å; I1169-L1171 PolarHBondContact O-N 3.18Å; L1171-W1173 HydrophobicContact CB-CD2 4.47Å; L1171-W1173 HydrophobicContact CB-CG 4.45Å; L1171-W1173 HydrophobicContact CD1-CH2 4.24Å; L1171-W1173 HydrophobicContact CD1-CZ2 3.68Å; L1171-W1173 PolarHBondContact O-N 2.95Å; L1171-I1176 HydrophobicContact CB-CD1 3.89Å; L1171-I1176 HydrophobicContact CD1-CD1 4.11Å; L1171-I1176 HydrophobicContact CG-CD1 4.43Å; L1171-R1191 PolarHBondContact O-NH2 3.31Å
1172P94.4Very high84.5Confident0 Ų033.1 Ų33.10%016%0.156CC..  trans-79.466.7172.735-36.2000110F1089 L1123 E1174 W1175 I1176 L1346 W1347F1089-P1172 HydrophobicContact CE2-CG 4.35Å; L1123-P1172 HydrophobicContact CD1-CG 4.05Å; L1123-P1172 HydrophobicContact CD2-CG 3.62Å; P1172-E1174 VanDerWaalsContact C-N 3.29Å; P1172-E1174 PolarHBondContact O-N 3.05Å; P1172-W1175 HydrophobicContact CB-CB 4.25Å; P1172-W1175 HydrophobicContact CB-CG 4.31Å; P1172-W1175 CarbonylContact O-C 3.49Å; P1172-W1175 WeakPolarHBondContact O-CA 3.35Å; P1172-W1175 WeakPolarHBondContact O-CB 3.47Å; P1172-W1175 PolarHBondContact O-N 3.46Å; P1172-I1176 PolarHBondContact O-N 3.29Å; P1172-L1346 HydrophobicContact CB-CD1 4.11Å; P1172-W1347 HydrophobicContact CB-CH2 4.2Å; P1172-W1347 HydrophobicContact CB-CZ3 4.38Å; P1172-W1347 HydrophobicContact CG-CH2 4.21Å; P1172-W1347 HydrophobicContact CG-CZ3 4.4Å
1173W94.6Very high82.6Confident0 Ų037.3 Ų37.30%020%0.2CC..G310 helixtrans-56.1-36.8-173-77.7106.4000115L1014 W1130 F1131 I1162 L1168 L1171 W1175 I1176 L1177L1014-W1173 HydrophobicContact CD1-CD2 3.36Å; L1014-W1173 VanDerWaalsContact CD1-CE2 3.48Å; L1014-W1173 HydrophobicContact CD1-CE3 3.58Å; L1014-W1173 HydrophobicContact CD1-CG 3.9Å; L1014-W1173 HydrophobicContact CD1-CH2 4.01Å; L1014-W1173 HydrophobicContact CD1-CZ2 3.81Å; L1014-W1173 HydrophobicContact CD1-CZ3 3.9Å; W1130-W1173 HydrophobicContact CE3-CH2 4.02Å; W1130-W1173 HydrophobicContact CE3-CZ3 4.25Å; W1130-W1173 AromaticContact CZ3-CH2 3.63Å; W1130-W1173 HydrophobicContact CZ3-CH2 3.63Å; W1130-W1173 HydrophobicContact CZ3-CZ2 4.38Å; W1130-W1173 HydrophobicContact CZ3-CZ3 4.1Å; F1131-W1173 HydrophobicContact CE2-CZ3 4.1Å; F1131-W1173 AromaticContact CZ-CZ3 3.91Å; F1131-W1173 HydrophobicContact CZ-CZ3 3.91Å; I1162-W1173 HydrophobicContact CD1-CB 3.66Å; I1162-W1173 HydrophobicContact CG2-CB 4.27Å; I1162-W1173 HydrophobicContact CG2-CG 4.47Å; L1168-W1173 HydrophobicContact CB-CZ2 3.87Å; L1168-W1173 HydrophobicContact CD1-CZ2 4.14Å; L1168-W1173 HydrophobicContact CD2-CZ2 4.19Å; L1168-W1173 HydrophobicContact CG-CZ2 4.28Å; L1168-W1173 PolarHBondContact O-NE1 3.31Å; L1171-W1173 HydrophobicContact CB-CD2 4.47Å; L1171-W1173 HydrophobicContact CB-CG 4.45Å; L1171-W1173 HydrophobicContact CD1-CH2 4.24Å; L1171-W1173 HydrophobicContact CD1-CZ2 3.68Å; L1171-W1173 PolarHBondContact O-N 2.95Å; W1173-W1175 PolarHBondContact O-N 3.35Å; W1173-I1176 HydrophobicContact CE3-CB 4.29Å; W1173-I1176 HydrophobicContact CE3-CD1 4.31Å; W1173-I1176 HydrophobicContact CE3-CG2 4.28Å; W1173-I1176 HydrophobicContact CZ3-CG2 4.22Å; W1173-I1176 PolarHBondContact O-N 2.87Å; W1173-L1177 HydrophobicContact CE3-CD2 4.34Å; W1173-L1177 HydrophobicContact CE3-CG 4.2Å; W1173-L1177 HydrophobicContact CZ3-CD2 4.49Å; W1173-L1177 PolarHBondContact O-N 3.33Å
1174E90.3Very high81Confident19 Ų1940.6 Ų40.69%0.08922%0.223CC..G310 helixtrans-54.4-24.7172.5-54.685.816500111.7I1162 P1172 W1178 M1189 R1191I1162-E1174 HydrophobicContact CD1-CG 4.03Å; P1172-E1174 VanDerWaalsContact C-N 3.29Å; P1172-E1174 PolarHBondContact O-N 3.05Å; E1174-W1178 WeakPolarHBondContact O-CB 3.45Å; E1174-M1189 HydrophobicContact CB-CB 4.18Å; E1174-M1189 HydrophobicContact CB-SD 4.43Å; E1174-M1189 HydrophobicContact CG-CB 3.86Å; E1174-R1191 IonicContact OE1-CZ 3.49Å; E1174-R1191 IonicContact OE1-NE 3.5Å; E1174-R1191 PolarHBondContact OE1-NE 3.13Å; E1174-R1191 IonicContact OE1-NH2 3.86Å; E1174-R1191 PolarHBondContact OE1-NH2 3.41Å; E1174-R1191 VanDerWaalsContact OE1-NH2 3.17Å; E1174-R1191 IonicContact OE2-CZ 2.66Å; E1174-R1191 IonicContact OE2-NE 2.86Å; E1174-R1191 IonicContact OE2-NH2 3.22Å; E1174-R1191 PolarHBondContact OE2-NH2 3.01Å
1175W91.3Very high79.6Confident23 Ų2343.3 Ų43.39%0.08724%0.241CC..G310 helixtrans-113.45-176.1-48.593.4000114.1P1172 W1173 I1387 F1388 T1391 K1402 V1404P1172-W1175 HydrophobicContact CB-CB 4.25Å; P1172-W1175 HydrophobicContact CB-CG 4.31Å; P1172-W1175 CarbonylContact O-C 3.49Å; P1172-W1175 WeakPolarHBondContact O-CA 3.35Å; P1172-W1175 WeakPolarHBondContact O-CB 3.47Å; P1172-W1175 PolarHBondContact O-N 3.46Å; W1173-W1175 PolarHBondContact O-N 3.35Å; W1175-I1387 HydrophobicContact CH2-CG2 3.87Å; W1175-I1387 HydrophobicContact CZ2-CG2 3.63Å; W1175-F1388 HydrophobicContact CE3-CD2 4.47Å; W1175-F1388 AromaticContact CZ3-CD2 3.77Å; W1175-F1388 HydrophobicContact CZ3-CD2 3.77Å; W1175-F1388 HydrophobicContact CZ3-CE2 4.46Å; W1175-F1388 HydrophobicContact CZ3-CG 4.47Å; W1175-T1391 HydrophobicContact CH2-CG2 3.31Å; W1175-T1391 HydrophobicContact CZ2-CG2 4.09Å; W1175-T1391 HydrophobicContact CZ3-CG2 3.83Å; W1175-K1402 HydrophobicContact CB-CB 4.37Å; W1175-K1402 HydrophobicContact CB-CD 3.66Å; W1175-K1402 HydrophobicContact CB-CG 4.07Å; W1175-K1402 HydrophobicContact CD2-CB 4.02Å; W1175-K1402 HydrophobicContact CD2-CD 4.23Å; W1175-K1402 HydrophobicContact CD2-CG 3.66Å; W1175-K1402 HydrophobicContact CE3-CD 4.3Å; W1175-K1402 HydrophobicContact CE3-CG 3.77Å; W1175-K1402 HydrophobicContact CG-CB 3.93Å; W1175-K1402 HydrophobicContact CG-CD 4.02Å; W1175-K1402 HydrophobicContact CG-CG 3.84Å; W1175-K1402 HydrophobicContact CZ3-CG 4.4Å; W1175-K1402 PolarHBondContact O-NZ 3.07Å; W1175-V1404 PolarHBondContact NE1-O 3.33Å
1176I92.9Very high78.9Confident1 Ų144.1 Ų44.11%0.00525%0.245CC..THydrogen-bonded Turntrans-105.5-44171.1-65.8170.6000109.9L1123 M1126 R1127 F1131 L1171 P1172 W1173L1123-I1176 HydrophobicContact CD2-CD1 3.91Å; L1123-I1176 HydrophobicContact CD2-CG1 3.61Å; M1126-I1176 HydrophobicContact CB-CG2 4.28Å; M1126-I1176 HydrophobicContact SD-CD1 3.86Å; R1127-I1176 HydrophobicContact CB-CG2 4.46Å; R1127-I1176 WeakPolarHBondContact CB-O 3.23Å; R1127-I1176 WeakPolarHBondContact CD-O 3.25Å; R1127-I1176 WeakPolarHBondContact CG-O 3.34Å; F1131-I1176 HydrophobicContact CE2-CG2 4.37Å; L1171-I1176 HydrophobicContact CB-CD1 3.89Å; L1171-I1176 HydrophobicContact CD1-CD1 4.11Å; L1171-I1176 HydrophobicContact CG-CD1 4.43Å; P1172-I1176 PolarHBondContact O-N 3.29Å; W1173-I1176 HydrophobicContact CE3-CB 4.29Å; W1173-I1176 HydrophobicContact CE3-CD1 4.31Å; W1173-I1176 HydrophobicContact CE3-CG2 4.28Å; W1173-I1176 HydrophobicContact CZ3-CG2 4.22Å; W1173-I1176 PolarHBondContact O-N 2.87Å
1177L90Very high78.9Confident0 Ų043 Ų430%024%0.242CC..SBendtrans-75.2-42.1-177.9-62.1174.2000111.5R1127 F1131 L1139 F1140 I1162 W1173 M1189R1127-L1177 PolarHBondContact NE-O 2.88Å; F1131-L1177 HydrophobicContact CD2-CD2 4.37Å; F1131-L1177 HydrophobicContact CE1-CD2 3.97Å; F1131-L1177 HydrophobicContact CE2-CD2 3.74Å; F1131-L1177 HydrophobicContact CZ-CD2 3.52Å; L1139-L1177 HydrophobicContact CD1-CD2 4.3Å; F1140-L1177 HydrophobicContact CE2-CB 4.19Å; F1140-L1177 HydrophobicContact CZ-CB 3.96Å; I1162-L1177 HydrophobicContact CD1-CD1 4.37Å; W1173-L1177 HydrophobicContact CE3-CD2 4.34Å; W1173-L1177 HydrophobicContact CE3-CG 4.2Å; W1173-L1177 HydrophobicContact CZ3-CD2 4.49Å; W1173-L1177 PolarHBondContact O-N 3.33Å; L1177-M1189 HydrophobicContact CB-CE 4.27Å; L1177-M1189 HydrophobicContact CD1-CE 4.05Å
1178W79.8Confident79.2Confident48 Ų4839.3 Ų39.318%0.18223%0.228CC..  trans-78.1148.9-176.9-169-112.6000113.9E1174 S1184 C1185 I1186 P1187 M1189E1174-W1178 WeakPolarHBondContact O-CB 3.45Å; W1178-S1184 WeakPolarHBondContact CH2-OG 3.43Å; W1178-C1185 WeakPolarHBondContact CH2-O 3.4Å; W1178-I1186 HydrophobicContact CZ2-CB 4.35Å; W1178-I1186 HydrophobicContact CZ2-CG1 4Å; W1178-P1187 HydrophobicContact CD2-CG 4.18Å; W1178-P1187 HydrophobicContact CE3-CG 3.65Å; W1178-P1187 HydrophobicContact CH2-CG 4.3Å; W1178-P1187 HydrophobicContact CZ3-CG 3.73Å; W1178-M1189 HydrophobicContact CB-SD 4.34Å
1179D69.5Low79.2Confident58 Ų5840.1 Ų40.131%0.3123%0.232SC..  trans-127.2156.4-172.7-157.2-5.5000112.5R1127 N1181R1127-D1179 IonicContact CZ-OD2 2.77Å; R1127-D1179 VanDerWaalsContact NH1-CG 3.29Å; R1127-D1179 IonicContact NH1-OD2 3.86Å; R1127-D1179 PolarHBondContact NH1-OD2 3.06Å; R1127-D1179 IonicContact NH2-OD2 2.96Å; R1127-D1179 PolarHBondContact NH2-OD2 3.49Å; D1179-N1181 VanDerWaalsContact C-N 3.27Å; D1179-N1181 PolarHBondContact O-N 3.02Å
1180R60.4Low79.3Confident139 Ų13940 Ų4053%0.52523%0.232SC..  trans-88.837.7-177.6-64.7-162.1171.3172.35.3113.6P1182 F1388R1180-P1182 WeakPolarHBondContact O-CD 3.29Å; R1180-F1388 HydrophobicContact CG-CE2 4.45Å; R1180-F1388 HydrophobicContact CG-CZ 4.07Å
1181N61.4Low79.5Confident108 Ų10837.8 Ų37.858%0.57822%0.223SC*.  trans-67.1112175.5-83-26.3000110.4D1179 G1183 S1184D1179-N1181 VanDerWaalsContact C-N 3.27Å; D1179-N1181 PolarHBondContact O-N 3.02Å; N1181-G1183 PolarHBondContact O-N 2.82Å; N1181-S1184 PolarHBondContact O-N 2.88Å
1182P49.4Very low79.4Confident130 Ų13037.8 Ų37.884%0.84422%0.223SC*.THydrogen-bonded Turntrans-68.8120.6-176.628.8-33.4000109.9R1180R1180-P1182 WeakPolarHBondContact O-CD 3.29Å
1183G55.5Low79.1Confident88 Ų8838.1 Ų38.191%0.90723%0.225SC*.THydrogen-bonded Turntrans112.6-13.3-177.500000114.8N1181N1181-G1183 PolarHBondContact O-N 2.82Å
1184S60.8Low78.8Confident69 Ų6938.1 Ų38.148%0.48323%0.225SC..PPolyproline II helixtrans-83.1138.6172-162.30000111.5W1178 N1181W1178-S1184 WeakPolarHBondContact CH2-OG 3.43Å; N1181-S1184 PolarHBondContact O-N 2.88Å
1185C65.6Low78.7Confident61 Ų6137.4 Ų37.441%0.41222%0.221SC..PPolyproline II helixtrans-79.3130.5177.9-1670000110.4P1157 W1178 P1187P1157-C1185 HydrophobicContact CB-CB 4.38Å; W1178-C1185 WeakPolarHBondContact CH2-O 3.4Å; C1185-P1187 WeakPolarHBondContact O-CD 3.4Å
1186I75.3Confident78.1Confident16 Ų1636.5 Ų36.58%0.08222%0.219CC..PPolyproline II helixtrans-75.5121.6-172.6-57.8-170.9000110.8W1178 F1388W1178-I1186 HydrophobicContact CZ2-CB 4.35Å; W1178-I1186 HydrophobicContact CZ2-CG1 4Å; I1186-F1388 HydrophobicContact CD1-CB 3.7Å; I1186-F1388 HydrophobicContact CD1-CD1 3.42Å; I1186-F1388 VanDerWaalsContact CD1-CD1 3.42Å; I1186-F1388 HydrophobicContact CD1-CD2 3.81Å; I1186-F1388 HydrophobicContact CD1-CE1 3.93Å; I1186-F1388 HydrophobicContact CD1-CE2 4.28Å; I1186-F1388 HydrophobicContact CD1-CG 3.35Å; I1186-F1388 HydrophobicContact CD1-CZ 4.33Å
1187P79.6Confident77.4Confident8 Ų836.5 Ų36.55%0.05222%0.219CC..PPolyproline II helixtrans-66.5147.2176.328.7-34.8000110.7F1140 A1158 W1178 C1185 M1189F1140-P1187 HydrophobicContact CE1-CG 4.46Å; A1158-P1187 WeakPolarHBondContact O-CA 3.32Å; A1158-P1187 VanDerWaalsContact O-CB 3.24Å; A1158-P1187 WeakPolarHBondContact O-CB 3.35Å; W1178-P1187 HydrophobicContact CD2-CG 4.18Å; W1178-P1187 HydrophobicContact CE3-CG 3.65Å; W1178-P1187 HydrophobicContact CH2-CG 4.3Å; W1178-P1187 HydrophobicContact CZ3-CG 3.73Å; C1185-P1187 WeakPolarHBondContact O-CD 3.4Å; P1187-M1189 HydrophobicContact CB-CG 4.38Å; P1187-M1189 HydrophobicContact CG-CG 4.07Å; P1187-M1189 HydrophobicContact CG-SD 4.41Å; P1187-M1189 PolarHBondContact O-N 2.98Å; P1187-M1189 VanDerWaalsContact O-N 3.16Å
1188T86Confident77.3Confident5 Ų536.6 Ų36.63%0.03122%0.219CC..EExtended strand (participates in β ladder)trans-81.5101.3170.2-63.50000108.3A1158 V1160 T1190 L1383 G1384 P1410A1158-T1188 PolarHBondContact O-N 2.83Å; V1160-T1188 PolarHBondContact N-O 3.2Å; T1188-T1190 HydrophobicContact CG2-CG2 4.42Å; T1188-L1383 HydrophobicContact CG2-CB 3.83Å; T1188-L1383 HydrophobicContact CG2-CD2 3.88Å; T1188-L1383 HydrophobicContact CG2-CG 4.03Å; T1188-G1384 PolarHBondContact OG1-N 3.04Å; T1188-P1410 HydrophobicContact CG2-CB 3.8Å; T1188-P1410 HydrophobicContact CG2-CG 4Å
1189M90.8Very high77.3Confident18 Ų1834.5 Ų34.59%0.08921%0.212CC..EExtended strand (participates in β ladder)trans-93.1124.3177.1-53.9-170.285.300110.1F1140 V1160 I1162 E1174 L1177 W1178 P1187F1140-M1189 HydrophobicContact CE1-CE 4.04Å; F1140-M1189 HydrophobicContact CZ-CE 3.9Å; V1160-M1189 HydrophobicContact CG1-CE 4.23Å; V1160-M1189 WeakPolarHBondContact O-CA 3.14Å; I1162-M1189 HydrophobicContact CD1-CE 3.79Å; I1162-M1189 HydrophobicContact CG1-CE 4.18Å; E1174-M1189 HydrophobicContact CB-CB 4.18Å; E1174-M1189 HydrophobicContact CB-SD 4.43Å; E1174-M1189 HydrophobicContact CG-CB 3.86Å; L1177-M1189 HydrophobicContact CB-CE 4.27Å; L1177-M1189 HydrophobicContact CD1-CE 4.05Å; W1178-M1189 HydrophobicContact CB-SD 4.34Å; P1187-M1189 HydrophobicContact CB-CG 4.38Å; P1187-M1189 HydrophobicContact CG-CG 4.07Å; P1187-M1189 HydrophobicContact CG-SD 4.41Å; P1187-M1189 PolarHBondContact O-N 2.98Å; P1187-M1189 VanDerWaalsContact O-N 3.16Å
1190T93.2Very high77.6Confident0 Ų031.7 Ų31.70%020%0.197CC..EExtended strand (participates in β ladder)trans-124.9179.5169.564.80000109.4V1160 V1161 I1162 T1188 V1406 G1408 P1410V1160-T1190 PolarHBondContact O-N 2.87Å; V1161-T1190 CarbonylContact C-O 3.56Å; V1161-T1190 WeakPolarHBondContact CA-O 3.26Å; I1162-T1190 PolarHBondContact N-O 3.01Å; T1188-T1190 HydrophobicContact CG2-CG2 4.42Å; T1190-V1406 CarbonylContact C-O 3.58Å; T1190-V1406 VanDerWaalsContact CA-O 3.26Å; T1190-V1406 WeakPolarHBondContact CA-O 3.39Å; T1190-V1406 WeakPolarHBondContact CB-O 3.21Å; T1190-V1406 HydrophobicContact CG2-CB 3.97Å; T1190-V1406 HydrophobicContact CG2-CG1 3.61Å; T1190-G1408 VanDerWaalsContact CB-O 3.29Å; T1190-G1408 WeakPolarHBondContact CB-O 3.27Å; T1190-G1408 PolarHBondContact OG1-O 3.4Å; T1190-P1410 HydrophobicContact CG2-CG 3.85Å
1191R94.4Very high78.4Confident1 Ų125.2 Ų25.20%0.00417%0.172CC..EExtended strand (participates in β ladder)trans-135151.5-179.550.3169.274.7-158.2-1.9113.4I1162 I1169 L1171 E1174 V1406 Y1407 G1408I1162-R1191 HydrophobicContact CB-CB 4.45Å; I1162-R1191 CarbonylContact O-C 3.59Å; I1162-R1191 WeakPolarHBondContact O-CA 3.19Å; I1162-R1191 WeakPolarHBondContact O-CB 3.26Å; I1169-R1191 PolarHBondContact O-NH1 2.8Å; L1171-R1191 PolarHBondContact O-NH2 3.31Å; E1174-R1191 IonicContact OE1-CZ 3.49Å; E1174-R1191 IonicContact OE1-NE 3.5Å; E1174-R1191 PolarHBondContact OE1-NE 3.13Å; E1174-R1191 IonicContact OE1-NH2 3.86Å; E1174-R1191 PolarHBondContact OE1-NH2 3.41Å; E1174-R1191 VanDerWaalsContact OE1-NH2 3.17Å; E1174-R1191 IonicContact OE2-CZ 2.66Å; E1174-R1191 IonicContact OE2-NE 2.86Å; E1174-R1191 IonicContact OE2-NH2 3.22Å; E1174-R1191 PolarHBondContact OE2-NH2 3.01Å; R1191-V1406 VanDerWaalsContact CG-O 3.25Å; R1191-V1406 WeakPolarHBondContact CG-O 3.41Å; R1191-V1406 PolarHBondContact N-O 2.8Å; R1191-Y1407 HydrophobicContact CB-CD1 4.44Å; R1191-Y1407 VanDerWaalsContact CD-CE1 3.41Å; R1191-Y1407 HydrophobicContact CG-CD1 3.63Å; R1191-Y1407 HydrophobicContact CG-CE1 3.84Å; R1191-Y1407 HydrophobicContact CG-CG 4.01Å; R1191-Y1407 CarbonylContact O-C 3.57Å; R1191-Y1407 WeakPolarHBondContact O-CA 3.23Å; R1191-G1408 PolarHBondContact O-N 3.18Å
1192S92.3Very high79.3Confident1 Ų120.1 Ų20.11%0.00715%0.145CC..  trans-139.2171.8174.5-170.60000110.9I1162I1162-S1192 PolarHBondContact O-N 3.04Å
1193F88.5Confident80.4Confident7 Ų714 Ų143%0.03111%0.106CC..SBendtrans-93.3-25.5-177.9-53.2-86.3000112.8G942 P945 I1169 L1197 T1329 F1332 L1335 Y1407G942-F1193 VanDerWaalsContact CA-O 3.27Å; G942-F1193 WeakPolarHBondContact CA-O 3.26Å; P945-F1193 HydrophobicContact CB-CB 3.96Å; P945-F1193 HydrophobicContact CG-CB 4.07Å; I1169-F1193 HydrophobicContact CD1-CD1 3.97Å; I1169-F1193 HydrophobicContact CD1-CE1 3.77Å; F1193-L1197 HydrophobicContact CB-CD1 3.86Å; F1193-L1197 HydrophobicContact CD2-CD1 4.4Å; F1193-T1329 HydrophobicContact CE1-CG2 3.95Å; F1193-T1329 HydrophobicContact CZ-CG2 3.51Å; F1193-F1332 AromaticContact CD2-CD2 3.66Å; F1193-F1332 HydrophobicContact CD2-CD2 3.66Å; F1193-F1332 HydrophobicContact CD2-CE2 4.21Å; F1193-F1332 HydrophobicContact CD2-CG 4.28Å; F1193-F1332 HydrophobicContact CE2-CB 3.91Å; F1193-F1332 AromaticContact CE2-CD2 3.71Å; F1193-F1332 HydrophobicContact CE2-CD2 3.71Å; F1193-F1332 HydrophobicContact CE2-CG 4.08Å; F1193-F1332 HydrophobicContact CZ-CB 4.14Å; F1193-L1335 HydrophobicContact CE2-CD1 4.17Å; F1193-Y1407 HydrophobicContact CE1-CD1 4.22Å; F1193-Y1407 AromaticContact CE1-CE1 3.68Å; F1193-Y1407 HydrophobicContact CE1-CE1 3.68Å; F1193-Y1407 AromaticContact CE2-CD1 3.73Å; F1193-Y1407 HydrophobicContact CE2-CD1 3.73Å; F1193-Y1407 HydrophobicContact CE2-CE1 4.06Å; F1193-Y1407 HydrophobicContact CE2-CG 4.49Å; F1193-Y1407 AromaticContact CZ-CD1 3.44Å; F1193-Y1407 HydrophobicContact CZ-CD1 3.44Å; F1193-Y1407 VanDerWaalsContact CZ-CD1 3.44Å; F1193-Y1407 AromaticContact CZ-CE1 3.31Å; F1193-Y1407 HydrophobicContact CZ-CE1 3.31Å; F1193-Y1407 HydrophobicContact CZ-CG 4.28Å
1194S87.4Confident81.1Confident1 Ų110.9 Ų10.91%0.0077%0.069CC..  trans-158.3158.1176.769.60000111.9I941 T946 I1163 L1197 V1198I941-S1194 WeakPolarHBondContact O-CB 3.28Å; T946-S1194 WeakPolarHBondContact OG1-CB 3.43Å; T946-S1194 PolarHBondContact OG1-OG 3.32Å; I1163-S1194 VanDerWaalsContact CD1-C 3.45Å; S1194-L1197 PolarHBondContact O-N 2.97Å; S1194-L1197 VanDerWaalsContact O-N 3.16Å; S1194-L1197 WeakPolarHBondContact OG-CD1 3.41Å; S1194-L1197 WeakPolarHBondContact OG-CG 3.33Å; S1194-L1197 PolarHBondContact OG-N 3.15Å; S1194-V1198 PolarHBondContact O-N 2.87Å
1195L87.8Confident81.3Confident3 Ų310.6 Ų10.62%0.0166%0.06CC..Hα-helixtrans-63.2-44.8175.917568.5000111.2V978 V1011 Y1057 V1060 F1068 I1163 L1197 V1198 V1199V978-L1195 HydrophobicContact CG1-CD2 4.46Å; V978-L1195 HydrophobicContact CG1-CG 4.3Å; V1011-L1195 HydrophobicContact CB-CD1 4.21Å; V1011-L1195 HydrophobicContact CG1-CD1 4.09Å; V1011-L1195 HydrophobicContact CG2-CD1 4.02Å; Y1057-L1195 HydrophobicContact CD1-CD2 3.86Å; Y1057-L1195 HydrophobicContact CD2-CD1 4.44Å; Y1057-L1195 HydrophobicContact CD2-CD2 4.44Å; Y1057-L1195 HydrophobicContact CE1-CD2 3.65Å; Y1057-L1195 HydrophobicContact CE2-CD2 4.25Å; Y1057-L1195 HydrophobicContact CG-CD1 4.46Å; Y1057-L1195 HydrophobicContact CG-CD2 4.26Å; V1060-L1195 HydrophobicContact CG1-CD1 4.1Å; V1060-L1195 HydrophobicContact CG2-CD1 4.34Å; F1068-L1195 HydrophobicContact CE2-CD2 4.34Å; F1068-L1195 HydrophobicContact CZ-CD2 4.33Å; I1163-L1195 HydrophobicContact CD1-CB 4.03Å; I1163-L1195 VanDerWaalsContact CD1-N 3.3Å; L1195-L1197 VanDerWaalsContact C-N 3.27Å; L1195-L1197 PolarHBondContact O-N 3.46Å; L1195-V1198 PolarHBondContact O-N 3.47Å; L1195-V1199 PolarHBondContact O-N 3.38Å
1196P79.1Confident81Confident4 Ų49.6 Ų9.63%0.0265%0.049CC..Hα-helixtrans-40.8-47163.7-38.237.3000116.5T946 V978 C979 V1199 A1200T946-P1196 HydrophobicContact CG2-CB 3.48Å; T946-P1196 VanDerWaalsContact CG2-CB 3.48Å; T946-P1196 HydrophobicContact CG2-CG 4.03Å; V978-P1196 HydrophobicContact CG1-CG 4.13Å; C979-P1196 VanDerWaalsContact SG-CB 3.59Å; P1196-V1199 PolarHBondContact O-N 2.95Å; P1196-A1200 WeakPolarHBondContact O-CB 3.37Å; P1196-A1200 PolarHBondContact O-N 2.94Å
1197L79.7Confident79.8Confident2 Ų211.2 Ų11.21%0.016%0.056CC..Hα-helixtrans-69.1-39179.4-73.8166.6000111.7P945 H949 F1193 S1194 L1195 V1199 A1200 H1201 F1332P945-L1197 HydrophobicContact CB-CD1 3.73Å; H949-L1197 HydrophobicContact CB-CD2 3.55Å; F1193-L1197 HydrophobicContact CB-CD1 3.86Å; F1193-L1197 HydrophobicContact CD2-CD1 4.4Å; S1194-L1197 PolarHBondContact O-N 2.97Å; S1194-L1197 VanDerWaalsContact O-N 3.16Å; S1194-L1197 WeakPolarHBondContact OG-CD1 3.41Å; S1194-L1197 WeakPolarHBondContact OG-CG 3.33Å; S1194-L1197 PolarHBondContact OG-N 3.15Å; L1195-L1197 VanDerWaalsContact C-N 3.27Å; L1195-L1197 PolarHBondContact O-N 3.46Å; L1197-V1199 VanDerWaalsContact C-N 3.32Å; L1197-V1199 PolarHBondContact O-N 2.86Å; L1197-A1200 WeakPolarHBondContact O-CB 3.29Å; L1197-A1200 PolarHBondContact O-N 2.8Å; L1197-H1201 WeakPolarHBondContact O-CB 3.45Å; L1197-H1201 PolarHBondContact O-N 3.48Å; L1197-H1201 PolarHBondContact O-ND1 2.84Å; L1197-F1332 HydrophobicContact CD1-CE2 3.65Å; L1197-F1332 HydrophobicContact CD1-CZ 4.11Å; L1197-F1332 HydrophobicContact CD2-CE2 4Å; L1197-F1332 HydrophobicContact CD2-CZ 4.35Å
1198V86.1Confident77.8Confident1 Ų115 Ų151%0.0068%0.081CC..Hα-helixtrans-59.1-44.8174.5-176.50000111.1V1011 V1161 I1163 S1194 L1195 H1201 L1202 I1409V1011-V1198 HydrophobicContact CG2-CG1 3.96Å; V1161-V1198 HydrophobicContact CB-CG2 4.39Å; V1161-V1198 HydrophobicContact CG1-CG2 3.7Å; V1161-V1198 HydrophobicContact CG2-CG1 4.32Å; I1163-V1198 HydrophobicContact CD1-CG2 4.14Å; S1194-V1198 PolarHBondContact O-N 2.87Å; L1195-V1198 PolarHBondContact O-N 3.47Å; V1198-H1201 PolarHBondContact O-N 2.75Å; V1198-L1202 HydrophobicContact CG1-CD1 4.02Å; V1198-L1202 HydrophobicContact CG1-CG 4.45Å; V1198-L1202 WeakPolarHBondContact O-CB 3.28Å; V1198-L1202 VanDerWaalsContact O-CG 3.27Å; V1198-L1202 WeakPolarHBondContact O-CG 3.26Å; V1198-L1202 PolarHBondContact O-N 2.76Å; V1198-I1409 HydrophobicContact CG1-CG2 4.36Å
1199V81.1Confident75.5Confident4 Ų420.5 Ų20.52%0.02412%0.119CC..Hα-helixtrans-66.4-38.3177.1177.90000111.5V978 V1060 L1195 P1196 L1197 L1202 A1203V978-V1199 HydrophobicContact CG1-CG2 4.35Å; V978-V1199 HydrophobicContact CG2-CB 4.44Å; V978-V1199 HydrophobicContact CG2-CG1 4.12Å; V978-V1199 HydrophobicContact CG2-CG2 4.25Å; V1060-V1199 HydrophobicContact CG1-CG2 3.65Å; L1195-V1199 PolarHBondContact O-N 3.38Å; P1196-V1199 PolarHBondContact O-N 2.95Å; L1197-V1199 VanDerWaalsContact C-N 3.32Å; L1197-V1199 PolarHBondContact O-N 2.86Å; V1199-L1202 PolarHBondContact O-N 2.88Å; V1199-A1203 VanDerWaalsContact O-CB 3.22Å; V1199-A1203 WeakPolarHBondContact O-CB 3.46Å; V1199-A1203 PolarHBondContact O-N 2.76Å
1200A74.7Confident72.5Confident0 Ų027.6 Ų27.60%015%0.152CC..Hα-helixtrans-61.2-47173.600000112.6V975 P1196 L1197 A1203 T1204V975-A1200 HydrophobicContact CG1-CB 4.36Å; V975-A1200 VanDerWaalsContact CG2-CA 3.47Å; V975-A1200 HydrophobicContact CG2-CB 3.39Å; P1196-A1200 WeakPolarHBondContact O-CB 3.37Å; P1196-A1200 PolarHBondContact O-N 2.94Å; L1197-A1200 WeakPolarHBondContact O-CB 3.29Å; L1197-A1200 PolarHBondContact O-N 2.8Å; A1200-A1203 PolarHBondContact O-N 3.4Å; A1200-T1204 WeakPolarHBondContact O-CG2 3.02Å; A1200-T1204 PolarHBondContact O-N 2.87Å; A1200-T1204 PolarHBondContact O-OG1 2.8Å
1201H78.6Confident69.3Low2 Ų232.9 Ų32.91%0.00918%0.18CC..Hα-helixtrans-66.2-40.2178.7-73119.7000112.2L1197 V1198 T1204 Q1205 L1335 I1409L1197-H1201 WeakPolarHBondContact O-CB 3.45Å; L1197-H1201 PolarHBondContact O-N 3.48Å; L1197-H1201 PolarHBondContact O-ND1 2.84Å; V1198-H1201 PolarHBondContact O-N 2.75Å; H1201-T1204 PolarHBondContact O-OG1 2.85Å; H1201-T1204 VanDerWaalsContact O-OG1 3.07Å; H1201-Q1205 WeakPolarHBondContact O-CG 3.47Å; H1201-Q1205 PolarHBondContact O-N 3.03Å; H1201-L1335 PolarHBondContact NE2-O 2.72Å; H1201-I1409 HydrophobicContact CB-CD1 4.25Å; H1201-I1409 HydrophobicContact CB-CG1 4.36Å; H1201-I1409 HydrophobicContact CB-CG2 4.15Å
1202L79.6Confident66.2Low1 Ų139.8 Ų39.81%0.00522%0.215CC..Hα-helixtrans-62.7-45.8172.2-69.9169.3000111.2L1007 V1009 V1060 V1198 V1199 T1204 Q1205 F1206 I1409L1007-L1202 HydrophobicContact CD2-CD2 4.3Å; V1009-L1202 HydrophobicContact CB-CD1 4.44Å; V1009-L1202 HydrophobicContact CG2-CD1 4.4Å; V1009-L1202 HydrophobicContact CG2-CD2 3.86Å; V1060-L1202 HydrophobicContact CG1-CD1 4.27Å; V1060-L1202 WeakPolarHBondContact O-CD1 3.14Å; V1198-L1202 HydrophobicContact CG1-CD1 4.02Å; V1198-L1202 HydrophobicContact CG1-CG 4.45Å; V1198-L1202 WeakPolarHBondContact O-CB 3.28Å; V1198-L1202 VanDerWaalsContact O-CG 3.27Å; V1198-L1202 WeakPolarHBondContact O-CG 3.26Å; V1198-L1202 PolarHBondContact O-N 2.76Å; V1199-L1202 PolarHBondContact O-N 2.88Å; L1202-T1204 PolarHBondContact O-N 2.8Å; L1202-Q1205 PolarHBondContact O-N 2.94Å; L1202-F1206 WeakPolarHBondContact O-CD2 3.49Å; L1202-F1206 WeakPolarHBondContact O-CE2 3.37Å; L1202-I1409 HydrophobicContact CD2-CD1 4.24Å; L1202-I1409 HydrophobicContact CD2-CG2 4.06Å; L1202-I1409 HydrophobicContact CG-CG2 4.16Å
1203A73.5Confident63.1Low2 Ų249.3 Ų49.32%0.01726%0.26CS..Hα-helixtrans-64.5-35-178.600000113.3I971 V1199 A1200 F1206I971-A1203 HydrophobicContact CB-CB 4.47Å; I971-A1203 WeakPolarHBondContact CD1-O 3.46Å; I971-A1203 HydrophobicContact CG1-CB 4.14Å; I971-A1203 HydrophobicContact CG2-CB 3.98Å; V1199-A1203 VanDerWaalsContact O-CB 3.22Å; V1199-A1203 WeakPolarHBondContact O-CB 3.46Å; V1199-A1203 PolarHBondContact O-N 2.76Å; A1200-A1203 PolarHBondContact O-N 3.4Å; A1203-F1206 PolarHBondContact O-N 2.77Å
1204T68.8Low60.2Low23 Ų2353.4 Ų53.414%0.14129%0.285CS..Hα-helixtrans-70.2-30.2177.150.70000113.7W968 I971 A1200 H1201 L1202 F1206 M1207W968-T1204 HydrophobicContact CH2-CG2 3.75Å; W968-T1204 HydrophobicContact CZ2-CG2 4.31Å; W968-T1204 HydrophobicContact CZ3-CG2 4.03Å; I971-T1204 HydrophobicContact CD1-CG2 3.74Å; I971-T1204 HydrophobicContact CG2-CG2 4.19Å; A1200-T1204 WeakPolarHBondContact O-CG2 3.02Å; A1200-T1204 PolarHBondContact O-N 2.87Å; A1200-T1204 PolarHBondContact O-OG1 2.8Å; H1201-T1204 PolarHBondContact O-OG1 2.85Å; H1201-T1204 VanDerWaalsContact O-OG1 3.07Å; L1202-T1204 PolarHBondContact O-N 2.8Å; T1204-F1206 VanDerWaalsContact C-N 3.25Å; T1204-F1206 PolarHBondContact O-N 3.31Å; T1204-M1207 PolarHBondContact O-N 2.86Å
1205Q64.9Low57.3Low62 Ų6261.8 Ų61.829%0.2933%0.33SS..Hα-helixtrans-69.3-22175.7-57.5-48.3-66.600113.6H1201 L1202 M1207 I1409H1201-Q1205 WeakPolarHBondContact O-CG 3.47Å; H1201-Q1205 PolarHBondContact O-N 3.03Å; L1202-Q1205 PolarHBondContact O-N 2.94Å; Q1205-M1207 VanDerWaalsContact C-N 3.27Å; Q1205-M1207 PolarHBondContact O-N 3.12Å; Q1205-I1409 HydrophobicContact CG-CD1 3.44Å; Q1205-I1409 VanDerWaalsContact CG-CD1 3.44Å
1206F58.7Low54.5Low40 Ų4067.1 Ų67.118%0.17536%0.363CS..THydrogen-bonded Turntrans-835.5178.3-67.3-64.8000114.1L1007 Q1063 L1202 A1203 T1204 P1208 M1223L1007-F1206 HydrophobicContact CB-CE1 4.44Å; L1007-F1206 HydrophobicContact CB-CZ 3.72Å; Q1063-F1206 HydrophobicContact CG-CB 4.49Å; Q1063-F1206 HydrophobicContact CG-CD1 4.16Å; Q1063-F1206 HydrophobicContact CG-CD2 3.7Å; Q1063-F1206 HydrophobicContact CG-CE1 4.25Å; Q1063-F1206 HydrophobicContact CG-CE2 3.83Å; Q1063-F1206 HydrophobicContact CG-CG 3.87Å; Q1063-F1206 HydrophobicContact CG-CZ 4.08Å; L1202-F1206 WeakPolarHBondContact O-CD2 3.49Å; L1202-F1206 WeakPolarHBondContact O-CE2 3.37Å; A1203-F1206 PolarHBondContact O-N 2.77Å; T1204-F1206 VanDerWaalsContact C-N 3.25Å; T1204-F1206 PolarHBondContact O-N 3.31Å; F1206-P1208 WeakPolarHBondContact O-CD 3.37Å; F1206-M1223 HydrophobicContact CD1-CE 4.26Å; F1206-M1223 HydrophobicContact CD1-SD 4.26Å; F1206-M1223 HydrophobicContact CE1-CE 3.94Å; F1206-M1223 HydrophobicContact CE1-SD 4.21Å
1207M51Low52.1Low50 Ų5070.8 Ų70.825%0.24639%0.389CS..  trans-71.3118.4172.6-77.5-143.2-173.200111.8N967 W968 I971 T1204 Q1205 C1209N967-M1207 HydrophobicContact CB-CE 3.65Å; N967-M1207 HydrophobicContact CB-CG 4.19Å; N967-M1207 HydrophobicContact CB-SD 3.5Å; N967-M1207 WeakPolarHBondContact CB-SD 3.36Å; W968-M1207 HydrophobicContact CB-CE 4.19Å; W968-M1207 HydrophobicContact CD2-CE 3.84Å; W968-M1207 HydrophobicContact CG-CE 3.57Å; I971-M1207 HydrophobicContact CD1-CE 3.41Å; I971-M1207 VanDerWaalsContact CD1-CE 3.41Å; I971-M1207 HydrophobicContact CD1-CG 4.01Å; I971-M1207 HydrophobicContact CG1-CE 4.35Å; T1204-M1207 PolarHBondContact O-N 2.86Å; Q1205-M1207 VanDerWaalsContact C-N 3.27Å; Q1205-M1207 PolarHBondContact O-N 3.12Å; M1207-C1209 PolarHBondContact O-N 2.79Å; M1207-C1209 VanDerWaalsContact O-N 3.16Å
1208P38.5Very low49.9Very low88 Ų8876.8 Ų76.857%0.57143%0.428SS*.  trans-72108163.130-32.2000109.1F1206 Q1210F1206-P1208 WeakPolarHBondContact O-CD 3.37Å; P1208-Q1210 PolarHBondContact O-N 3.13Å
1209C36.7Very low47.1Very low121 Ų12182.8 Ų82.882%0.81846%0.46SS*.  trans-67.294.3174.3-700000110.8M1207 N1211M1207-C1209 PolarHBondContact O-N 2.79Å; M1207-C1209 VanDerWaalsContact O-N 3.16Å; C1209-N1211 PolarHBondContact O-N 2.79Å
1210Q28.1Very low44.8Very low167 Ų16787 Ų8778%0.7850%0.495SS*.  trans-68.680.5169.7-71-168.6200110.9P1208P1208-Q1210 PolarHBondContact O-N 3.13Å
1211N26.7Very low42.6Very low111 Ų11194 Ų9459%0.59453%0.527SS*.  trans-156.778.1165.2-112.9-8.2000111C1209C1209-N1211 PolarHBondContact O-N 2.79Å
1212I29.3Very low40.2Very low145 Ų145102.3 Ų102.374%0.74457%0.566SS**  trans-176.8134.4150.2-95.5150.2000107.2T1214I1212-T1214 VanDerWaalsContact C-N 3.29Å; I1212-T1214 HydrophobicContact CG2-CG2 3.6Å; I1212-T1214 WeakPolarHBondContact CG2-OG1 3.48Å; I1212-T1214 PolarHBondContact O-N 3.2Å; I1212-T1214 VanDerWaalsContact O-N 3.08Å
1213Q25.8Very low38Very low202 Ų202106.9 Ų106.994%0.94459%0.589SS**  trans-8558.3-177.7-66.6175.9-54.700112.5
1214T28.5Very low36.2Very low92 Ų92111.5 Ų111.556%0.56461%0.608SS**  trans-109.9106.7173.653.90000111I1212 T1216I1212-T1214 VanDerWaalsContact C-N 3.29Å; I1212-T1214 HydrophobicContact CG2-CG2 3.6Å; I1212-T1214 WeakPolarHBondContact CG2-OG1 3.48Å; I1212-T1214 PolarHBondContact O-N 3.2Å; I1212-T1214 VanDerWaalsContact O-N 3.08Å; T1214-T1216 PolarHBondContact O-N 2.74Å
1215N26.9Very low35.3Very low177 Ų177111.6 Ų111.695%0.94761%0.608SS**  trans-71.670.7173.4-70.4-14.5000110.7
1216T28.7Very low35.4Very low115 Ų115109.8 Ų109.871%0.70660%0.601SS**  trans-111133.6-179-420000109.7T1214T1214-T1216 PolarHBondContact O-N 2.74Å
1217S28.6Very low36.3Very low82 Ų82110.7 Ų110.757%0.57361%0.613SS**  trans-51.1141.1-171-174.70000114.3N1219S1217-N1219 VanDerWaalsContact CB-OD1 3.29Å; S1217-N1219 WeakPolarHBondContact CB-OD1 3.12Å; S1217-N1219 PolarHBondContact O-N 3.19Å; S1217-N1219 PolarHBondContact OG-OD1 3.43Å
1218P33.3Very low38Very low127 Ų127108.7 Ų108.783%0.82560%0.603SS**  trans-74.160.817234.6-37000111.5A1220P1218-A1220 PolarHBondContact O-N 3.04Å
1219N26.8Very low40.4Very low128 Ų128105.8 Ų105.868%0.68458%0.582SS**  trans-73.2112.6171.5-73.424000108.6S1217 E1221S1217-N1219 VanDerWaalsContact CB-OD1 3.29Å; S1217-N1219 WeakPolarHBondContact CB-OD1 3.12Å; S1217-N1219 PolarHBondContact O-N 3.19Å; S1217-N1219 PolarHBondContact OG-OD1 3.43Å; N1219-E1221 VanDerWaalsContact C-N 3.29Å; N1219-E1221 PolarHBondContact O-N 3.37Å
1220A33Very low42.9Very low91 Ų91100 Ų10075%0.75254%0.544SS*.  trans-73.372.8-17700000112.7P1218 H1222P1218-A1220 PolarHBondContact O-N 3.04Å; A1220-H1222 PolarHBondContact O-CD2 2.76Å; A1220-H1222 PolarHBondContact O-N 2.84Å
1221E28.3Very low45.9Very low147 Ų14795.3 Ų95.369%0.68752%0.521SS*.  trans-58.7112.3158.9-75.6-161.9166.400107.7N1219 M1223 K1416N1219-E1221 VanDerWaalsContact C-N 3.29Å; N1219-E1221 PolarHBondContact O-N 3.37Å; E1221-M1223 PolarHBondContact O-N 3Å; E1221-K1416 IonicContact OE1-NZ 2.98Å; E1221-K1416 PolarHBondContact OE1-NZ 2.8Å; E1221-K1416 IonicContact OE2-NZ 3.37Å; E1221-K1416 PolarHBondContact OE2-NZ 3.24Å
1222H28.8Very low48.9Very low177 Ų17796.7 Ų96.782%0.81952%0.519SS*.  trans-46.4132.4-164.3-64.4-179.5000113.1A1220 K1224A1220-H1222 PolarHBondContact O-CD2 2.76Å; A1220-H1222 PolarHBondContact O-N 2.84Å; H1222-K1224 PolarHBondContact O-N 3.46Å
1223M32.2Very low52Low98 Ų9889.8 Ų89.848%0.48348%0.483SS..  trans-73.462.2-171.2-167.8160.254.800113.3F1206 E1221F1206-M1223 HydrophobicContact CD1-CE 4.26Å; F1206-M1223 HydrophobicContact CD1-SD 4.26Å; F1206-M1223 HydrophobicContact CE1-CE 3.94Å; F1206-M1223 HydrophobicContact CE1-SD 4.21Å; E1221-M1223 PolarHBondContact O-N 3Å
1224K37.6Very low55.3Low99 Ų9980.7 Ų80.743%0.4344%0.44SS..  trans-62.7151.5173.9-123.4168.1-172.3165.50110.6D1154 H1222 C1226D1154-K1224 VanDerWaalsContact CG-NZ 3.26Å; D1154-K1224 IonicContact OD1-NZ 3.84Å; D1154-K1224 IonicContact OD2-NZ 3.86Å; D1154-K1224 PolarHBondContact OD2-NZ 2.85Å; H1222-K1224 PolarHBondContact O-N 3.46Å; K1224-C1226 PolarHBondContact O-N 3.26Å
1225L50Low58.5Low24 Ų2477 Ų7713%0.12642%0.416CS..SBendtrans-20.8123.6177.6-168.592.7000114.2L1007 S1227 P1410 E1412L1007-L1225 HydrophobicContact CD1-CB 4.43Å; L1007-L1225 HydrophobicContact CD1-CD1 4.21Å; L1007-L1225 HydrophobicContact CD2-CD1 4.22Å; L1225-S1227 PolarHBondContact O-N 2.97Å; L1225-S1227 VanDerWaalsContact O-N 3.09Å; L1225-P1410 HydrophobicContact CD1-CB 4.18Å; L1225-P1410 HydrophobicContact CD2-CB 4.16Å; L1225-P1410 WeakPolarHBondContact CG-O 3.43Å; L1225-E1412 HydrophobicContact CD2-CB 4.11Å; L1225-E1412 HydrophobicContact CD2-CG 3.41Å; L1225-E1412 VanDerWaalsContact CD2-CG 3.41Å
1226C66.4Low61.8Low24 Ų2468.7 Ų68.716%0.16237%0.372CS..  trans-26.1107.2-177.7-57.60000112.6K1224 S1411 E1412K1224-C1226 PolarHBondContact O-N 3.26Å; C1226-S1411 WeakPolarHBondContact O-CA 3.36Å; C1226-S1411 VanDerWaalsContact O-CB 3.26Å; C1226-S1411 WeakPolarHBondContact O-CB 3.39Å; C1226-S1411 PolarHBondContact O-OG 3.14Å; C1226-E1412 PolarHBondContact O-N 2.95Å
1227S76.8Confident65Low60 Ų6063.2 Ų63.242%0.4234%0.338SS..EExtended strand (participates in β ladder)trans-115.8135.8-169.462.90000113.5L1225 E1412 K1414L1225-S1227 PolarHBondContact O-N 2.97Å; L1225-S1227 VanDerWaalsContact O-N 3.09Å; S1227-E1412 WeakPolarHBondContact CA-O 3.21Å; S1227-E1412 VanDerWaalsContact CB-O 3.27Å; S1227-E1412 WeakPolarHBondContact CB-O 3.2Å; S1227-K1414 WeakPolarHBondContact O-CE 3.46Å; S1227-K1414 WeakPolarHBondContact OG-CE 3.38Å; S1227-K1414 WeakPolarHBondContact OG-CG 3.38Å
1228F86.2Confident68.1Low8 Ų859.3 Ų59.34%0.03531%0.311CS..EExtended strand (participates in β ladder)trans-113.7156.1-176.372.1-84.1000110.5P1230 D1281 L1282 V1308 W1365 L1366 E1412 P1413 K1414F1228-P1230 HydrophobicContact CE2-CB 3.9Å; F1228-P1230 WeakPolarHBondContact O-CD 3.48Å; F1228-D1281 HydrophobicContact CB-CB 4.24Å; F1228-L1282 HydrophobicContact CD2-CB 4.25Å; F1228-L1282 HydrophobicContact CE2-CB 4.15Å; F1228-L1282 HydrophobicContact CE2-CD1 4.24Å; F1228-L1282 HydrophobicContact CE2-CD2 4.26Å; F1228-L1282 HydrophobicContact CE2-CG 4.45Å; F1228-V1308 HydrophobicContact CB-CG2 4.35Å; F1228-V1308 HydrophobicContact CD1-CB 4.44Å; F1228-V1308 HydrophobicContact CD1-CG2 3.74Å; F1228-V1308 HydrophobicContact CE1-CG2 4.2Å; F1228-V1308 HydrophobicContact CG-CB 4.48Å; F1228-V1308 HydrophobicContact CG-CG2 3.99Å; F1228-W1365 AromaticContact CE1-CH2 3.65Å; F1228-W1365 HydrophobicContact CE1-CH2 3.65Å; F1228-W1365 AromaticContact CE1-CZ2 3.62Å; F1228-W1365 HydrophobicContact CE1-CZ2 3.62Å; F1228-W1365 HydrophobicContact CE2-CH2 4.42Å; F1228-W1365 AromaticContact CZ-CH2 3.32Å; F1228-W1365 HydrophobicContact CZ-CH2 3.32Å; F1228-W1365 AromaticContact CZ-CZ2 3.65Å; F1228-W1365 HydrophobicContact CZ-CZ2 3.65Å; F1228-W1365 HydrophobicContact CZ-CZ3 4.02Å; F1228-L1366 HydrophobicContact CE2-CD2 4.4Å; F1228-L1366 HydrophobicContact CZ-CD2 4.01Å; F1228-E1412 VanDerWaalsContact CE1-C 3.44Å; F1228-E1412 PolarHBondContact N-O 3.37Å; F1228-P1413 HydrophobicContact CE1-CB 4.11Å; F1228-P1413 VanDerWaalsContact CE1-N 3.35Å; F1228-P1413 HydrophobicContact CE2-CB 4.29Å; F1228-P1413 HydrophobicContact CZ-CB 3.81Å; F1228-P1413 HydrophobicContact CZ-CG 4.37Å; F1228-K1414 WeakPolarHBondContact O-CG 3.28Å; F1228-K1414 PolarHBondContact O-N 3.42Å
1229N88.9Confident71Confident26 Ų2653.4 Ų53.414%0.13927%0.273CS..  trans-88.7110.2172.9-174.7-10000111.1E1231 R1232 D1281 S1417N1229-E1231 PolarHBondContact ND2-OE2 3.45Å; N1229-E1231 PolarHBondContact O-N 3.04Å; N1229-E1231 WeakPolarHBondContact OD1-CB 3.41Å; N1229-E1231 WeakPolarHBondContact OD1-CG 3.49Å; N1229-E1231 PolarHBondContact OD1-N 2.87Å; N1229-E1231 PolarHBondContact OD1-OE2 2.76Å; N1229-E1231 VanDerWaalsContact OD1-OE2 3.06Å; N1229-R1232 PolarHBondContact O-N 3.03Å; N1229-R1232 VanDerWaalsContact O-N 3.13Å; N1229-D1281 HydrophobicContact CB-CB 4.41Å; N1229-D1281 PolarHBondContact N-OD2 3.16Å; N1229-D1281 WeakPolarHBondContact O-CB 3.37Å; N1229-S1417 PolarHBondContact ND2-OG 2.84Å; N1229-S1417 WeakPolarHBondContact OD1-CB 3.38Å; N1229-S1417 PolarHBondContact OD1-OG 3.22Å
1230P90.1Very high74.1Confident0 Ų050.5 Ų50.50%026%0.255CS..THydrogen-bonded Turntrans-71-8.7178.134.4-39.7000114.4F1228 W1260 L1282 L1366 P1413 S1417 L1419F1228-P1230 HydrophobicContact CE2-CB 3.9Å; F1228-P1230 WeakPolarHBondContact O-CD 3.48Å; P1230-W1260 PolarHBondContact O-NE1 2.74Å; P1230-L1282 HydrophobicContact CB-CD2 4.46Å; P1230-L1366 HydrophobicContact CB-CD1 4.36Å; P1230-L1366 HydrophobicContact CB-CD2 3.93Å; P1230-P1413 HydrophobicContact CB-CB 4.23Å; P1230-P1413 HydrophobicContact CG-CB 3.79Å; P1230-S1417 WeakPolarHBondContact CG-O 3.43Å; P1230-L1419 HydrophobicContact CB-CD1 4.37Å; P1230-L1419 HydrophobicContact CB-CG 4.45Å; P1230-L1419 HydrophobicContact CG-CG 4.46Å
1231E90.7Very high76.9Confident68 Ų6849.9 Ų49.932%0.31825%0.245SC..THydrogen-bonded Turntrans-71.9-33.3170.1-58.1162142.700110.9N1229 A1233 S1259 S1417 L1419N1229-E1231 PolarHBondContact ND2-OE2 3.45Å; N1229-E1231 PolarHBondContact O-N 3.04Å; N1229-E1231 WeakPolarHBondContact OD1-CB 3.41Å; N1229-E1231 WeakPolarHBondContact OD1-CG 3.49Å; N1229-E1231 PolarHBondContact OD1-N 2.87Å; N1229-E1231 PolarHBondContact OD1-OE2 2.76Å; N1229-E1231 VanDerWaalsContact OD1-OE2 3.06Å; E1231-A1233 PolarHBondContact O-N 2.96Å; E1231-S1259 CarbonylContact O-C 3.57Å; E1231-S1259 VanDerWaalsContact O-CB 3.31Å; E1231-S1259 WeakPolarHBondContact O-CB 3.46Å; E1231-S1259 PolarHBondContact O-OG 2.94Å; E1231-S1417 VanDerWaalsContact CD-CB 3.44Å; E1231-S1417 WeakPolarHBondContact CG-O 3.42Å; E1231-S1417 WeakPolarHBondContact OE2-CB 3.48Å; E1231-S1417 PolarHBondContact OE2-OG 3.04Å; E1231-L1419 HydrophobicContact CG-CD2 3.86Å
1232R90.9Very high79.9Confident141 Ų14146.6 Ų46.653%0.53223%0.232SC..SBendtrans-84.663.7178.1-77.9-176.4162.2-169-7.4110.8N1229 H1280 D1281 L1282N1229-R1232 PolarHBondContact O-N 3.03Å; N1229-R1232 VanDerWaalsContact O-N 3.13Å; R1232-H1280 WeakPolarHBondContact O-CB 3.3Å; R1232-D1281 HydrophobicContact CB-CB 3.86Å; R1232-D1281 WeakPolarHBondContact CD-OD1 3.23Å; R1232-D1281 PolarHBondContact O-N 3.19Å; R1232-L1282 PolarHBondContact O-N 3.38Å; R1232-L1282 VanDerWaalsContact O-N 3.15Å
1233A93.5Very high82.9Confident0 Ų038.8 Ų38.80%020%0.196CC..EExtended strand (participates in β ladder)trans-104.6140.6-179.500000113.4E1231 W1260 T1261 L1282E1231-A1233 PolarHBondContact O-N 2.96Å; A1233-W1260 HydrophobicContact CB-CB 4.48Å; A1233-W1260 HydrophobicContact CB-CD2 3.68Å; A1233-W1260 HydrophobicContact CB-CE3 4.38Å; A1233-W1260 HydrophobicContact CB-CG 3.72Å; A1233-W1260 HydrophobicContact CB-CZ2 4.08Å; A1233-T1261 PolarHBondContact O-N 3.07Å; A1233-L1282 CarbonylContact C-O 3.57Å; A1233-L1282 VanDerWaalsContact CA-O 3.26Å; A1233-L1282 WeakPolarHBondContact CA-O 3.39Å; A1233-L1282 HydrophobicContact CB-CB 3.97Å; A1233-L1282 HydrophobicContact CB-CD2 3.99Å; A1233-L1282 HydrophobicContact CB-CG 4.12Å
1234F95Very high85.7Confident10 Ų1038.5 Ų38.54%0.04420%0.201CC..EExtended strand (participates in β ladder)trans-112.6135.6163.9-172.1-97.7000110.1I1236 T1261 V1263 E1272 H1280 L1282 L1283 I1284F1234-I1236 HydrophobicContact CD1-CG1 4.25Å; F1234-I1236 HydrophobicContact CE1-CD1 4.14Å; F1234-I1236 HydrophobicContact CE1-CG1 3.67Å; F1234-T1261 CarbonylContact C-O 3.56Å; F1234-T1261 VanDerWaalsContact CA-O 3.25Å; F1234-T1261 WeakPolarHBondContact CA-O 3.47Å; F1234-T1261 WeakPolarHBondContact CD2-OG1 3.43Å; F1234-V1263 HydrophobicContact CZ-CG2 4.26Å; F1234-E1272 HydrophobicContact CZ-CB 4.31Å; F1234-E1272 VanDerWaalsContact CZ-O 3.26Å; F1234-E1272 WeakPolarHBondContact CZ-O 3.5Å; F1234-H1280 HydrophobicContact CB-CB 4.19Å; F1234-L1282 PolarHBondContact N-O 3.34Å; F1234-L1283 HydrophobicContact CB-CD1 4.45Å; F1234-L1283 HydrophobicContact CD1-CD1 3.82Å; F1234-L1283 CarbonylContact O-C 3.51Å; F1234-L1283 WeakPolarHBondContact O-CA 3.38Å; F1234-I1284 PolarHBondContact O-N 3.39Å
1235Y95.8Very high88.3Confident16 Ų1635 Ų356%0.06319%0.19CC..EExtended strand (participates in β ladder)trans-126.8148.4177.969.9-97.3000114.1L1237 F1254 W1260 T1261 G1262 V1263 T1264 I1284Y1235-L1237 HydrophobicContact CD2-CB 4.06Å; Y1235-L1237 HydrophobicContact CE2-CB 4.36Å; Y1235-F1254 HydrophobicContact CD1-CB 4.03Å; Y1235-F1254 HydrophobicContact CD1-CD2 4.03Å; Y1235-F1254 HydrophobicContact CD1-CG 4.34Å; Y1235-F1254 AromaticContact CD2-CD2 3.73Å; Y1235-F1254 HydrophobicContact CD2-CD2 3.73Å; Y1235-F1254 HydrophobicContact CD2-CE2 4.42Å; Y1235-F1254 HydrophobicContact CE1-CB 3.67Å; Y1235-F1254 HydrophobicContact CE1-CD2 4.37Å; Y1235-F1254 HydrophobicContact CE1-CG 4.44Å; Y1235-F1254 HydrophobicContact CE2-CB 4.34Å; Y1235-F1254 HydrophobicContact CE2-CD2 4.09Å; Y1235-F1254 AromaticContact CG-CD2 3.71Å; Y1235-F1254 HydrophobicContact CG-CD2 3.71Å; Y1235-F1254 HydrophobicContact CG-CE2 4.33Å; Y1235-F1254 HydrophobicContact CG-CG 4.46Å; Y1235-W1260 HydrophobicContact CD1-CB 4.3Å; Y1235-W1260 HydrophobicContact CD1-CE3 4.19Å; Y1235-W1260 HydrophobicContact CE1-CB 4.29Å; Y1235-T1261 WeakPolarHBondContact CD1-O 3.33Å; Y1235-T1261 WeakPolarHBondContact CE1-O 3.48Å; Y1235-T1261 PolarHBondContact N-O 2.98Å; Y1235-G1262 CarbonylContact O-C 3.47Å; Y1235-G1262 WeakPolarHBondContact O-CA 3.17Å; Y1235-V1263 PolarHBondContact O-N 3.39Å; Y1235-T1264 WeakPolarHBondContact CE2-OG1 3.2Å; Y1235-I1284 CarbonylContact C-O 3.49Å; Y1235-I1284 VanDerWaalsContact CA-O 3.25Å; Y1235-I1284 WeakPolarHBondContact CA-O 3.43Å
1236I95.3Very high90.4Very high1 Ų134.4 Ų34.41%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-124.2110.8172.9-57.7172000106.8F1234 P1239 V1263 P1268 V1273 I1284 F1285 L1286F1234-I1236 HydrophobicContact CD1-CG1 4.25Å; F1234-I1236 HydrophobicContact CE1-CD1 4.14Å; F1234-I1236 HydrophobicContact CE1-CG1 3.67Å; I1236-P1239 HydrophobicContact CG2-CB 4Å; I1236-P1239 HydrophobicContact CG2-CG 3.98Å; I1236-V1263 WeakPolarHBondContact CA-O 3.37Å; I1236-P1268 HydrophobicContact CD1-CG 4.39Å; I1236-P1268 HydrophobicContact CG2-CG 4.37Å; I1236-V1273 HydrophobicContact CD1-CG2 4.37Å; I1236-I1284 PolarHBondContact N-O 3.33Å; I1236-F1285 HydrophobicContact CB-CD2 4.07Å; I1236-F1285 HydrophobicContact CG2-CD2 3.96Å; I1236-F1285 HydrophobicContact CG2-CE2 4.26Å; I1236-L1286 PolarHBondContact O-N 3.37Å
1237L96.2Very high91.7Very high0 Ų035.3 Ų35.30%019%0.189CC..EExtended strand (participates in β ladder)trans-121.9118.7-172.1173.758.4000110.9Y1235 T1246 Q1247 F1250 E1251 F1254 V1263 T1264 G1265 L1286Y1235-L1237 HydrophobicContact CD2-CB 4.06Å; Y1235-L1237 HydrophobicContact CE2-CB 4.36Å; L1237-T1246 HydrophobicContact CD1-CG2 4.07Å; L1237-Q1247 HydrophobicContact CD2-CG 4.49Å; L1237-F1250 HydrophobicContact CD1-CB 4.24Å; L1237-F1250 HydrophobicContact CD2-CB 4.03Å; L1237-E1251 HydrophobicContact CD2-CB 3.87Å; L1237-F1254 HydrophobicContact CD2-CD2 4.35Å; L1237-V1263 PolarHBondContact N-O 3.43Å; L1237-T1264 HydrophobicContact CB-CG2 4.29Å; L1237-T1264 HydrophobicContact CD2-CG2 3.93Å; L1237-T1264 HydrophobicContact CG-CG2 4.03Å; L1237-T1264 CarbonylContact O-C 3.57Å; L1237-T1264 VanDerWaalsContact O-CA 3.31Å; L1237-T1264 WeakPolarHBondContact O-CA 3.43Å; L1237-G1265 PolarHBondContact O-N 2.99Å; L1237-L1286 HydrophobicContact CD1-CB 3.85Å; L1237-L1286 HydrophobicContact CD1-CD1 4.06Å
1238N94.9Very high92.5Very high1 Ų139.9 Ų39.91%0.00520%0.204CC..  trans51.155178.2-173.525000113.7E1240 S1241 N1242 L1243 Q1247 G1265 L1286N1238-E1240 VanDerWaalsContact C-N 3.26Å; N1238-E1240 PolarHBondContact O-N 3.23Å; N1238-S1241 PolarHBondContact O-N 3.2Å; N1238-S1241 VanDerWaalsContact O-N 3.07Å; N1238-S1241 VanDerWaalsContact OD1-C 3.31Å; N1238-S1241 WeakPolarHBondContact OD1-CA 3.47Å; N1238-S1241 PolarHBondContact OD1-N 3.04Å; N1238-N1242 PolarHBondContact OD1-N 2.94Å; N1238-L1243 HydrophobicContact CB-CB 4.39Å; N1238-L1243 PolarHBondContact OD1-N 3.32Å; N1238-Q1247 HydrophobicContact CB-CB 4.06Å; N1238-Q1247 PolarHBondContact ND2-OE1 3.42Å; N1238-G1265 VanDerWaalsContact O-CA 3.26Å; N1238-G1265 WeakPolarHBondContact O-CA 3.3Å; N1238-G1265 PolarHBondContact O-N 3.22Å; N1238-L1286 PolarHBondContact N-O 2.91Å
1239P93.4Very high92.9Very high3 Ų341.8 Ų41.82%0.01922%0.216CC..THydrogen-bonded Turntrans-65.4-28.2-172.726.3-34.5000113.6I1236 S1241 K1266 I1267 F1285 F1294I1236-P1239 HydrophobicContact CG2-CB 4Å; I1236-P1239 HydrophobicContact CG2-CG 3.98Å; P1239-S1241 VanDerWaalsContact C-N 3.3Å; P1239-S1241 PolarHBondContact O-N 3.16Å; P1239-K1266 VanDerWaalsContact CA-O 3.25Å; P1239-K1266 WeakPolarHBondContact CA-O 3.44Å; P1239-K1266 CarbonylContact O-C 3.47Å; P1239-I1267 PolarHBondContact O-N 2.76Å; P1239-I1267 VanDerWaalsContact O-N 3.08Å; P1239-F1285 HydrophobicContact CG-CE2 4.1Å; P1239-F1294 HydrophobicContact CB-CE2 3.87Å; P1239-F1294 HydrophobicContact CB-CZ 3.78Å; P1239-F1294 HydrophobicContact CG-CD2 4.45Å; P1239-F1294 HydrophobicContact CG-CE2 3.49Å; P1239-F1294 VanDerWaalsContact CG-CE2 3.49Å; P1239-F1294 HydrophobicContact CG-CZ 3.81Å
1240E91.9Very high93.1Very high67 Ų6740.7 Ų40.731%0.31321%0.21SC..THydrogen-bonded Turntrans-85.22.7177-68.7168.9-150.600113.7N1238 N1242 H1288 Q1293N1238-E1240 VanDerWaalsContact C-N 3.26Å; N1238-E1240 PolarHBondContact O-N 3.23Å; E1240-N1242 WeakPolarHBondContact CB-ND2 3.22Å; E1240-N1242 WeakPolarHBondContact CB-OD1 3.43Å; E1240-N1242 PolarHBondContact O-N 3.16Å; E1240-N1242 VanDerWaalsContact O-N 3.12Å; E1240-N1242 PolarHBondContact OE2-ND2 3.11Å; E1240-H1288 IonicContact OE2-CD2 2.84Å; E1240-H1288 PolarHBondContact OE2-CD2 2.86Å; E1240-H1288 VanDerWaalsContact OE2-CD2 3.28Å; E1240-Q1293 PolarHBondContact OE1-NE2 3.21Å
1241S91.6Very high93.3Very high77 Ų7742.3 Ų42.354%0.53822%0.218SC..SBendtrans61.69.8-178.4-45.20000116N1238 P1239 G1265N1238-S1241 PolarHBondContact O-N 3.2Å; N1238-S1241 VanDerWaalsContact O-N 3.07Å; N1238-S1241 VanDerWaalsContact OD1-C 3.31Å; N1238-S1241 WeakPolarHBondContact OD1-CA 3.47Å; N1238-S1241 PolarHBondContact OD1-N 3.04Å; P1239-S1241 VanDerWaalsContact C-N 3.3Å; P1239-S1241 PolarHBondContact O-N 3.16Å; S1241-G1265 PolarHBondContact OG-O 3.07Å
1242N91.7Very high93.4Very high79 Ų7942.5 Ų42.542%0.42222%0.224SC..  trans-103.6-6.6-170.156.65.5000115.5N1238 E1240 P1244 H1288N1238-N1242 PolarHBondContact OD1-N 2.94Å; E1240-N1242 WeakPolarHBondContact CB-ND2 3.22Å; E1240-N1242 WeakPolarHBondContact CB-OD1 3.43Å; E1240-N1242 PolarHBondContact O-N 3.16Å; E1240-N1242 VanDerWaalsContact O-N 3.12Å; E1240-N1242 PolarHBondContact OE2-ND2 3.11Å; N1242-P1244 WeakPolarHBondContact O-CD 3.41Å; N1242-H1288 PolarHBondContact ND2-CD2 2.93Å; N1242-H1288 PolarHBondContact OD1-CD2 2.64Å
1243L91.3Very high93.4Very high13 Ų1336 Ų367%0.06820%0.2CC..  trans-107.965.5176.4-67.9168.8000112.9N1238 S1245 T1246 Q1247 H1288N1238-L1243 HydrophobicContact CB-CB 4.39Å; N1238-L1243 PolarHBondContact OD1-N 3.32Å; L1243-S1245 VanDerWaalsContact C-N 3.27Å; L1243-S1245 PolarHBondContact O-N 3.38Å; L1243-T1246 PolarHBondContact O-N 2.65Å; L1243-Q1247 PolarHBondContact O-N 3.49Å; L1243-H1288 WeakPolarHBondContact CD2-NE2 3.44Å
1244P92.4Very high93.4Very high91 Ų9136 Ų3659%0.59120%0.201SC*.Hα-helixtrans-66.5-25.4-175.428.3-36.2000113.6N1242 Q1248N1242-P1244 WeakPolarHBondContact O-CD 3.41Å; P1244-Q1248 WeakPolarHBondContact O-CB 3.5Å; P1244-Q1248 PolarHBondContact O-N 2.82Å
1245S91.2Very high93.2Very high26 Ų2643.7 Ų43.718%0.18223%0.229CC..Hα-helixtrans-67.6-49.3177.4-171.90000111.6L1243 Q1248 T1249 R1352L1243-S1245 VanDerWaalsContact C-N 3.27Å; L1243-S1245 PolarHBondContact O-N 3.38Å; S1245-Q1248 PolarHBondContact O-N 3.18Å; S1245-T1249 WeakPolarHBondContact O-CB 3.47Å; S1245-T1249 PolarHBondContact O-N 2.8Å; S1245-T1249 PolarHBondContact O-OG1 2.89Å; S1245-R1352 WeakPolarHBondContact OG-CG 3.3Å
1246T93.5Very high92.8Very high11 Ų1148.1 Ų48.17%0.06725%0.254CS..Hα-helixtrans-64.6-44.6176.2-56.50000110.4L1237 L1243 Q1248 T1249 F1250 L1286 D1355L1237-T1246 HydrophobicContact CD1-CG2 4.07Å; L1243-T1246 PolarHBondContact O-N 2.65Å; T1246-Q1248 PolarHBondContact O-N 3.12Å; T1246-T1249 PolarHBondContact O-N 3.23Å; T1246-T1249 VanDerWaalsContact O-N 3.16Å; T1246-F1250 HydrophobicContact CG2-CD2 3.77Å; T1246-F1250 HydrophobicContact CG2-CE2 4.07Å; T1246-F1250 VanDerWaalsContact O-CD2 3.31Å; T1246-F1250 WeakPolarHBondContact O-CD2 3.36Å; T1246-F1250 PolarHBondContact O-N 2.97Å; T1246-L1286 HydrophobicContact CG2-CB 4.21Å; T1246-L1286 HydrophobicContact CG2-CD1 4.44Å; T1246-D1355 WeakPolarHBondContact CA-OD1 3.5Å; T1246-D1355 VanDerWaalsContact CB-OD1 3.31Å; T1246-D1355 WeakPolarHBondContact CB-OD1 3.42Å; T1246-D1355 WeakPolarHBondContact CG2-OD1 3.41Å; T1246-D1355 PolarHBondContact OG1-OD1 3.39Å
1247Q95.2Very high92.5Very high43 Ų4348.6 Ų48.620%0.20126%0.256CS..Hα-helixtrans-58.7-50.4174.7-175.7177.2-20.600112.2L1237 N1238 L1243 T1249 F1250 E1251 T1264L1237-Q1247 HydrophobicContact CD2-CG 4.49Å; N1238-Q1247 HydrophobicContact CB-CB 4.06Å; N1238-Q1247 PolarHBondContact ND2-OE1 3.42Å; L1243-Q1247 PolarHBondContact O-N 3.49Å; Q1247-T1249 PolarHBondContact O-N 3.38Å; Q1247-F1250 PolarHBondContact O-N 3.21Å; Q1247-E1251 HydrophobicContact CG-CB 4.11Å; Q1247-E1251 WeakPolarHBondContact CG-OE2 3.33Å; Q1247-E1251 PolarHBondContact NE2-OE2 3.05Å; Q1247-E1251 WeakPolarHBondContact O-CB 3.49Å; Q1247-E1251 PolarHBondContact O-N 2.65Å; Q1247-T1264 HydrophobicContact CG-CG2 3.74Å
1248Q93.9Very high91.9Very high157 Ų15754.4 Ų54.473%0.73430%0.297SS*.Hα-helixtrans-59.9-28.8178.1-174.5176.924.900112.7P1244 S1245 T1246 P1252P1244-Q1248 WeakPolarHBondContact O-CB 3.5Å; P1244-Q1248 PolarHBondContact O-N 2.82Å; S1245-Q1248 PolarHBondContact O-N 3.18Å; T1246-Q1248 PolarHBondContact O-N 3.12Å; Q1248-P1252 WeakPolarHBondContact O-CD 3.36Å
1249T92.7Very high91.6Very high48 Ų4857.1 Ų57.129%0.29432%0.316SS..Hα-helixtrans-76.9-46.9178.3-57.90000112.1S1245 T1246 Q1247 I1253S1245-T1249 WeakPolarHBondContact O-CB 3.47Å; S1245-T1249 PolarHBondContact O-N 2.8Å; S1245-T1249 PolarHBondContact O-OG1 2.89Å; T1246-T1249 PolarHBondContact O-N 3.23Å; T1246-T1249 VanDerWaalsContact O-N 3.16Å; Q1247-T1249 PolarHBondContact O-N 3.38Å; T1249-I1253 VanDerWaalsContact O-CD1 3.26Å; T1249-I1253 WeakPolarHBondContact O-CD1 3.18Å; T1249-I1253 WeakPolarHBondContact O-CG1 3.29Å
1250F94.8Very high91.6Very high2 Ų257.7 Ų57.71%0.00932%0.318CS..Hα-helixtrans-99.2-29.7-170.1-68.4-72.4000115.3L1237 T1246 Q1247 I1253 F1254 L1286 D1355 T1358 L1359L1237-F1250 HydrophobicContact CD1-CB 4.24Å; L1237-F1250 HydrophobicContact CD2-CB 4.03Å; T1246-F1250 HydrophobicContact CG2-CD2 3.77Å; T1246-F1250 HydrophobicContact CG2-CE2 4.07Å; T1246-F1250 VanDerWaalsContact O-CD2 3.31Å; T1246-F1250 WeakPolarHBondContact O-CD2 3.36Å; T1246-F1250 PolarHBondContact O-N 2.97Å; Q1247-F1250 PolarHBondContact O-N 3.21Å; F1250-I1253 HydrophobicContact CD1-CD1 4.23Å; F1250-I1253 WeakPolarHBondContact O-CA 3.5Å; F1250-I1253 WeakPolarHBondContact O-CB 3.27Å; F1250-I1253 PolarHBondContact O-N 2.8Å; F1250-F1254 HydrophobicContact CB-CD2 4.27Å; F1250-F1254 HydrophobicContact CB-CE1 4.2Å; F1250-F1254 HydrophobicContact CB-CE2 3.86Å; F1250-F1254 HydrophobicContact CB-CZ 3.82Å; F1250-F1254 AromaticContact CD1-CE1 3.81Å; F1250-F1254 HydrophobicContact CD1-CE1 3.81Å; F1250-F1254 AromaticContact CD1-CZ 3.68Å; F1250-F1254 HydrophobicContact CD1-CZ 3.68Å; F1250-F1254 HydrophobicContact CG-CE1 4.41Å; F1250-F1254 HydrophobicContact CG-CE2 4.42Å; F1250-F1254 AromaticContact CG-CZ 3.98Å; F1250-F1254 HydrophobicContact CG-CZ 3.98Å; F1250-F1254 PolarHBondContact O-N 2.71Å; F1250-L1286 HydrophobicContact CB-CD1 4.07Å; F1250-L1286 HydrophobicContact CD1-CD1 4.13Å; F1250-L1286 HydrophobicContact CD2-CD1 3.5Å; F1250-L1286 HydrophobicContact CE2-CD1 3.97Å; F1250-L1286 HydrophobicContact CG-CD1 3.61Å; F1250-L1286 HydrophobicContact CZ-CD1 4.46Å; F1250-D1355 HydrophobicContact CE2-CB 4.24Å; F1250-D1355 WeakPolarHBondContact CZ-O 3.37Å; F1250-T1358 HydrophobicContact CE1-CG2 4.03Å; F1250-T1358 HydrophobicContact CZ-CG2 3.81Å; F1250-L1359 HydrophobicContact CE1-CB 4.05Å; F1250-L1359 HydrophobicContact CE1-CD1 4.49Å; F1250-L1359 HydrophobicContact CZ-CB 4.2Å
1251E94.2Very high91.7Very high35 Ų3557.7 Ų57.716%0.16432%0.323CS..Hα-helixtrans-57.5-43.4-177.1176.8168.7-154.400113.4L1237 Q1247 I1253 R1255 T1264L1237-E1251 HydrophobicContact CD2-CB 3.87Å; Q1247-E1251 HydrophobicContact CG-CB 4.11Å; Q1247-E1251 WeakPolarHBondContact CG-OE2 3.33Å; Q1247-E1251 PolarHBondContact NE2-OE2 3.05Å; Q1247-E1251 WeakPolarHBondContact O-CB 3.49Å; Q1247-E1251 PolarHBondContact O-N 2.65Å; E1251-I1253 PolarHBondContact O-N 3.08Å; E1251-R1255 HydrophobicContact CG-CG 4.32Å; E1251-R1255 VanDerWaalsContact CG-NE 3.34Å; E1251-R1255 WeakPolarHBondContact O-CB 3.09Å; E1251-R1255 VanDerWaalsContact O-CG 3.25Å; E1251-R1255 WeakPolarHBondContact O-CG 3.38Å; E1251-R1255 PolarHBondContact O-N 2.79Å; E1251-R1255 VanDerWaalsContact O-N 3.11Å; E1251-R1255 IonicContact OE1-CZ 2.81Å; E1251-R1255 IonicContact OE1-NE 3.24Å; E1251-R1255 PolarHBondContact OE1-NE 3.32Å; E1251-R1255 IonicContact OE1-NH2 2.86Å; E1251-R1255 PolarHBondContact OE1-NH2 3.28Å; E1251-T1264 HydrophobicContact CB-CG2 4.36Å; E1251-T1264 HydrophobicContact CG-CG2 4.21Å
1252P91.9Very high91.8Very high71 Ų7155.5 Ų55.546%0.46131%0.312SS..Hα-helixtrans-67-24.2175.7-19.433.5000113.3Q1248 N1256Q1248-P1252 WeakPolarHBondContact O-CD 3.36Å; P1252-N1256 PolarHBondContact O-ND2 2.77Å
1253I90.9Very high91.9Very high4 Ų451.9 Ų51.92%0.02129%0.293CS..Hα-helixtrans-78.2-52.3-179.6-46.5-176.4000109.3T1249 F1250 E1251 R1255 N1256 L1257 L1359 F1421 L1425T1249-I1253 VanDerWaalsContact O-CD1 3.26Å; T1249-I1253 WeakPolarHBondContact O-CD1 3.18Å; T1249-I1253 WeakPolarHBondContact O-CG1 3.29Å; F1250-I1253 HydrophobicContact CD1-CD1 4.23Å; F1250-I1253 WeakPolarHBondContact O-CA 3.5Å; F1250-I1253 WeakPolarHBondContact O-CB 3.27Å; F1250-I1253 PolarHBondContact O-N 2.8Å; E1251-I1253 PolarHBondContact O-N 3.08Å; I1253-R1255 VanDerWaalsContact C-N 3.34Å; I1253-R1255 PolarHBondContact O-N 3.37Å; I1253-N1256 PolarHBondContact O-N 2.95Å; I1253-N1256 VanDerWaalsContact O-N 3.08Å; I1253-L1257 PolarHBondContact O-N 3.08Å; I1253-L1359 HydrophobicContact CD1-CD1 3.5Å; I1253-F1421 HydrophobicContact CG2-CD1 4.04Å; I1253-F1421 HydrophobicContact CG2-CE1 4.17Å; I1253-L1425 HydrophobicContact CB-CD1 4.42Å; I1253-L1425 HydrophobicContact CD1-CD1 3.93Å; I1253-L1425 HydrophobicContact CD1-CD2 3.79Å; I1253-L1425 HydrophobicContact CG1-CD1 3.76Å; I1253-L1425 HydrophobicContact CG1-CD2 4.32Å; I1253-L1425 HydrophobicContact CG2-CD1 4.09Å
1254F93.2Very high92.1Very high2 Ų252.7 Ų52.71%0.00930%0.298CS..Hα-helixtrans-68.7-34.9-175.1-59.5-8.8000111.3Y1235 L1237 F1250 N1256 L1257 W1260 L1286 L1362Y1235-F1254 HydrophobicContact CD1-CB 4.03Å; Y1235-F1254 HydrophobicContact CD1-CD2 4.03Å; Y1235-F1254 HydrophobicContact CD1-CG 4.34Å; Y1235-F1254 AromaticContact CD2-CD2 3.73Å; Y1235-F1254 HydrophobicContact CD2-CD2 3.73Å; Y1235-F1254 HydrophobicContact CD2-CE2 4.42Å; Y1235-F1254 HydrophobicContact CE1-CB 3.67Å; Y1235-F1254 HydrophobicContact CE1-CD2 4.37Å; Y1235-F1254 HydrophobicContact CE1-CG 4.44Å; Y1235-F1254 HydrophobicContact CE2-CB 4.34Å; Y1235-F1254 HydrophobicContact CE2-CD2 4.09Å; Y1235-F1254 AromaticContact CG-CD2 3.71Å; Y1235-F1254 HydrophobicContact CG-CD2 3.71Å; Y1235-F1254 HydrophobicContact CG-CE2 4.33Å; Y1235-F1254 HydrophobicContact CG-CG 4.46Å; L1237-F1254 HydrophobicContact CD2-CD2 4.35Å; F1250-F1254 HydrophobicContact CB-CD2 4.27Å; F1250-F1254 HydrophobicContact CB-CE1 4.2Å; F1250-F1254 HydrophobicContact CB-CE2 3.86Å; F1250-F1254 HydrophobicContact CB-CZ 3.82Å; F1250-F1254 AromaticContact CD1-CE1 3.81Å; F1250-F1254 HydrophobicContact CD1-CE1 3.81Å; F1250-F1254 AromaticContact CD1-CZ 3.68Å; F1250-F1254 HydrophobicContact CD1-CZ 3.68Å; F1250-F1254 HydrophobicContact CG-CE1 4.41Å; F1250-F1254 HydrophobicContact CG-CE2 4.42Å; F1250-F1254 AromaticContact CG-CZ 3.98Å; F1250-F1254 HydrophobicContact CG-CZ 3.98Å; F1250-F1254 PolarHBondContact O-N 2.71Å; F1254-N1256 VanDerWaalsContact C-N 3.27Å; F1254-N1256 PolarHBondContact O-N 3.2Å; F1254-L1257 PolarHBondContact O-N 3.26Å; F1254-W1260 HydrophobicContact CB-CE3 4.12Å; F1254-W1260 AromaticContact CD1-CE3 3.82Å; F1254-W1260 HydrophobicContact CD1-CE3 3.82Å; F1254-W1260 HydrophobicContact CD1-CH2 4.49Å; F1254-W1260 AromaticContact CD1-CZ3 3.44Å; F1254-W1260 HydrophobicContact CD1-CZ3 3.44Å; F1254-W1260 VanDerWaalsContact CD1-CZ3 3.44Å; F1254-W1260 HydrophobicContact CD2-CZ3 4.43Å; F1254-W1260 HydrophobicContact CE1-CE3 4.39Å; F1254-W1260 HydrophobicContact CE1-CH2 4.38Å; F1254-W1260 AromaticContact CE1-CZ3 3.57Å; F1254-W1260 HydrophobicContact CE1-CZ3 3.57Å; F1254-W1260 AromaticContact CG-CE3 3.92Å; F1254-W1260 HydrophobicContact CG-CE3 3.92Å; F1254-W1260 AromaticContact CG-CZ3 3.92Å; F1254-W1260 HydrophobicContact CG-CZ3 3.92Å; F1254-W1260 HydrophobicContact CZ-CZ3 4.12Å; F1254-L1286 HydrophobicContact CE2-CD1 3.85Å; F1254-L1286 HydrophobicContact CZ-CD1 3.84Å; F1254-L1362 HydrophobicContact CE1-CD1 4.19Å; F1254-L1362 HydrophobicContact CZ-CD1 4.27Å
1255R90.2Very high92.2Very high170 Ų17049.5 Ų49.564%0.64228%0.282SS*.THydrogen-bonded Turntrans-64.6-25171.2-73.2174.1176-108.99.1114.2E1251 I1253E1251-R1255 HydrophobicContact CG-CG 4.32Å; E1251-R1255 VanDerWaalsContact CG-NE 3.34Å; E1251-R1255 WeakPolarHBondContact O-CB 3.09Å; E1251-R1255 VanDerWaalsContact O-CG 3.25Å; E1251-R1255 WeakPolarHBondContact O-CG 3.38Å; E1251-R1255 PolarHBondContact O-N 2.79Å; E1251-R1255 VanDerWaalsContact O-N 3.11Å; E1251-R1255 IonicContact OE1-CZ 2.81Å; E1251-R1255 IonicContact OE1-NE 3.24Å; E1251-R1255 PolarHBondContact OE1-NE 3.32Å; E1251-R1255 IonicContact OE1-NH2 2.86Å; E1251-R1255 PolarHBondContact OE1-NH2 3.28Å; I1253-R1255 VanDerWaalsContact C-N 3.34Å; I1253-R1255 PolarHBondContact O-N 3.37Å
1256N88.9Confident92.3Very high110 Ų11052.6 Ų52.659%0.58829%0.292SS*.THydrogen-bonded Turntrans-84.6-16.6176.8-75.4-18.4000112.8P1252 I1253 F1254 S1258 P1422P1252-N1256 PolarHBondContact O-ND2 2.77Å; I1253-N1256 PolarHBondContact O-N 2.95Å; I1253-N1256 VanDerWaalsContact O-N 3.08Å; F1254-N1256 VanDerWaalsContact C-N 3.27Å; F1254-N1256 PolarHBondContact O-N 3.2Å; N1256-S1258 PolarHBondContact O-N 3.03Å; N1256-P1422 HydrophobicContact CB-CG 4.37Å
1257L89.5Confident92.3Very high10 Ų1057.3 Ų57.35%0.05232%0.316CS..SBendtrans-87.383.3173.5-65.7171000108.3I1253 F1254 S1259 W1260 L1419 F1421I1253-L1257 PolarHBondContact O-N 3.08Å; F1254-L1257 PolarHBondContact O-N 3.26Å; L1257-S1259 PolarHBondContact O-N 3.26Å; L1257-W1260 HydrophobicContact CB-CB 4.27Å; L1257-W1260 HydrophobicContact CB-CD2 4.05Å; L1257-W1260 HydrophobicContact CB-CG 3.85Å; L1257-W1260 HydrophobicContact CD1-CD2 3.76Å; L1257-W1260 HydrophobicContact CD1-CE3 3.86Å; L1257-W1260 HydrophobicContact CD1-CG 4.45Å; L1257-W1260 HydrophobicContact CD1-CH2 4.01Å; L1257-W1260 HydrophobicContact CD1-CZ2 3.91Å; L1257-W1260 HydrophobicContact CD1-CZ3 3.99Å; L1257-W1260 WeakPolarHBondContact O-CB 3.24Å; L1257-W1260 PolarHBondContact O-N 2.78Å; L1257-L1419 HydrophobicContact CD1-CD1 4.25Å; L1257-L1419 HydrophobicContact CD2-CB 4.18Å; L1257-L1419 HydrophobicContact CD2-CD1 4.34Å; L1257-F1421 HydrophobicContact CD1-CE1 4.12Å
1258S83Confident92.1Very high123 Ų12355.8 Ų55.886%0.8631%0.309SS*.THydrogen-bonded Turntrans-59.6-14.4-16756.20000116.8N1256N1256-S1258 PolarHBondContact O-N 3.03Å
1259S88.2Confident92Very high57 Ų5751.6 Ų51.640%0.39929%0.294SS..THydrogen-bonded Turntrans-85.9-15.7173.450.20000114E1231 L1257E1231-S1259 CarbonylContact O-C 3.57Å; E1231-S1259 VanDerWaalsContact O-CB 3.31Å; E1231-S1259 WeakPolarHBondContact O-CB 3.46Å; E1231-S1259 PolarHBondContact O-OG 2.94Å; L1257-S1259 PolarHBondContact O-N 3.26Å
1260W93.6Very high91.7Very high16 Ų1652.5 Ų52.56%0.06130%0.3CS..  trans-82.8133.9-178.9-71.419.7000111P1230 A1233 Y1235 F1254 L1257 L1282 I1284 L1366 L1419P1230-W1260 PolarHBondContact O-NE1 2.74Å; A1233-W1260 HydrophobicContact CB-CB 4.48Å; A1233-W1260 HydrophobicContact CB-CD2 3.68Å; A1233-W1260 HydrophobicContact CB-CE3 4.38Å; A1233-W1260 HydrophobicContact CB-CG 3.72Å; A1233-W1260 HydrophobicContact CB-CZ2 4.08Å; Y1235-W1260 HydrophobicContact CD1-CB 4.3Å; Y1235-W1260 HydrophobicContact CD1-CE3 4.19Å; Y1235-W1260 HydrophobicContact CE1-CB 4.29Å; F1254-W1260 HydrophobicContact CB-CE3 4.12Å; F1254-W1260 AromaticContact CD1-CE3 3.82Å; F1254-W1260 HydrophobicContact CD1-CE3 3.82Å; F1254-W1260 HydrophobicContact CD1-CH2 4.49Å; F1254-W1260 AromaticContact CD1-CZ3 3.44Å; F1254-W1260 HydrophobicContact CD1-CZ3 3.44Å; F1254-W1260 VanDerWaalsContact CD1-CZ3 3.44Å; F1254-W1260 HydrophobicContact CD2-CZ3 4.43Å; F1254-W1260 HydrophobicContact CE1-CE3 4.39Å; F1254-W1260 HydrophobicContact CE1-CH2 4.38Å; F1254-W1260 AromaticContact CE1-CZ3 3.57Å; F1254-W1260 HydrophobicContact CE1-CZ3 3.57Å; F1254-W1260 AromaticContact CG-CE3 3.92Å; F1254-W1260 HydrophobicContact CG-CE3 3.92Å; F1254-W1260 AromaticContact CG-CZ3 3.92Å; F1254-W1260 HydrophobicContact CG-CZ3 3.92Å; F1254-W1260 HydrophobicContact CZ-CZ3 4.12Å; L1257-W1260 HydrophobicContact CB-CB 4.27Å; L1257-W1260 HydrophobicContact CB-CD2 4.05Å; L1257-W1260 HydrophobicContact CB-CG 3.85Å; L1257-W1260 HydrophobicContact CD1-CD2 3.76Å; L1257-W1260 HydrophobicContact CD1-CE3 3.86Å; L1257-W1260 HydrophobicContact CD1-CG 4.45Å; L1257-W1260 HydrophobicContact CD1-CH2 4.01Å; L1257-W1260 HydrophobicContact CD1-CZ2 3.91Å; L1257-W1260 HydrophobicContact CD1-CZ3 3.99Å; L1257-W1260 WeakPolarHBondContact O-CB 3.24Å; L1257-W1260 PolarHBondContact O-N 2.78Å; W1260-L1282 HydrophobicContact CZ2-CD2 4.07Å; W1260-I1284 HydrophobicContact CH2-CD1 3.44Å; W1260-I1284 VanDerWaalsContact CH2-CD1 3.44Å; W1260-I1284 HydrophobicContact CZ2-CD1 4.36Å; W1260-I1284 HydrophobicContact CZ3-CD1 3.61Å; W1260-L1366 HydrophobicContact CH2-CD1 4.37Å; W1260-L1366 HydrophobicContact CZ2-CD1 4.09Å; W1260-L1419 HydrophobicContact CZ2-CD1 3.53Å
1261T93.6Very high91.4Very high67 Ų6759.9 Ų59.941%0.41133%0.334SS..EExtended strand (participates in β ladder)trans-112.9159.9171.569.90000110.1A1233 F1234 Y1235 H1280A1233-T1261 PolarHBondContact O-N 3.07Å; F1234-T1261 CarbonylContact C-O 3.56Å; F1234-T1261 VanDerWaalsContact CA-O 3.25Å; F1234-T1261 WeakPolarHBondContact CA-O 3.47Å; F1234-T1261 WeakPolarHBondContact CD2-OG1 3.43Å; Y1235-T1261 WeakPolarHBondContact CD1-O 3.33Å; Y1235-T1261 WeakPolarHBondContact CE1-O 3.48Å; Y1235-T1261 PolarHBondContact N-O 2.98Å; T1261-H1280 PolarHBondContact OG1-NE2 3.04Å
1262G93.6Very high91.2Very high31 Ų3160.8 Ų60.832%0.3234%0.339SS..EExtended strand (participates in β ladder)trans170.3177.3-179.900000116Y1235Y1235-G1262 CarbonylContact O-C 3.47Å; Y1235-G1262 WeakPolarHBondContact O-CA 3.17Å
1263V94.8Very high91Very high3 Ų357.7 Ų57.72%0.01832%0.318CS..EExtended strand (participates in β ladder)trans-115.1123.2-177.7168.20000109.6F1234 Y1235 I1236 L1237 K1266 P1268 E1272F1234-V1263 HydrophobicContact CZ-CG2 4.26Å; Y1235-V1263 PolarHBondContact O-N 3.39Å; I1236-V1263 WeakPolarHBondContact CA-O 3.37Å; L1237-V1263 PolarHBondContact N-O 3.43Å; V1263-K1266 HydrophobicContact CG1-CD 4.2Å; V1263-K1266 HydrophobicContact CG1-CG 3.55Å; V1263-K1266 VanDerWaalsContact CG1-O 3.28Å; V1263-K1266 WeakPolarHBondContact CG1-O 3.26Å; V1263-P1268 HydrophobicContact CB-CB 4.23Å; V1263-P1268 HydrophobicContact CG1-CB 4.04Å; V1263-P1268 HydrophobicContact CG2-CB 4.03Å; V1263-E1272 HydrophobicContact CG2-CB 4.3Å; V1263-E1272 HydrophobicContact CG2-CG 4.34Å
1264T95.6Very high90.8Very high30 Ų3058.7 Ų58.718%0.18432%0.324CS..EExtended strand (participates in β ladder)trans-118.6134.9176.1-50.30000111.3Y1235 L1237 Q1247 E1251 K1266Y1235-T1264 WeakPolarHBondContact CE2-OG1 3.2Å; L1237-T1264 HydrophobicContact CB-CG2 4.29Å; L1237-T1264 HydrophobicContact CD2-CG2 3.93Å; L1237-T1264 HydrophobicContact CG-CG2 4.03Å; L1237-T1264 CarbonylContact O-C 3.57Å; L1237-T1264 VanDerWaalsContact O-CA 3.31Å; L1237-T1264 WeakPolarHBondContact O-CA 3.43Å; Q1247-T1264 HydrophobicContact CG-CG2 3.74Å; E1251-T1264 HydrophobicContact CB-CG2 4.36Å; E1251-T1264 HydrophobicContact CG-CG2 4.21Å; T1264-K1266 PolarHBondContact O-N 2.61Å; T1264-K1266 VanDerWaalsContact O-N 3.1Å
1265G93.9Very high90.5Very high23 Ų2362.1 Ų62.124%0.23734%0.342CS..SBendtrans66.615165.200000115.4L1237 N1238 S1241L1237-G1265 PolarHBondContact O-N 2.99Å; N1238-G1265 VanDerWaalsContact O-CA 3.26Å; N1238-G1265 WeakPolarHBondContact O-CA 3.3Å; N1238-G1265 PolarHBondContact O-N 3.22Å; S1241-G1265 PolarHBondContact OG-O 3.07Å
1266K93.4Very high90.3Very high91 Ų9154 Ų5440%0.39631%0.312SS..SBendtrans-143.9157.3174.164.5156.7-177.1149.10109.9P1239 V1263 T1264 E1272P1239-K1266 VanDerWaalsContact CA-O 3.25Å; P1239-K1266 WeakPolarHBondContact CA-O 3.44Å; P1239-K1266 CarbonylContact O-C 3.47Å; V1263-K1266 HydrophobicContact CG1-CD 4.2Å; V1263-K1266 HydrophobicContact CG1-CG 3.55Å; V1263-K1266 VanDerWaalsContact CG1-O 3.28Å; V1263-K1266 WeakPolarHBondContact CG1-O 3.26Å; T1264-K1266 PolarHBondContact O-N 2.61Å; T1264-K1266 VanDerWaalsContact O-N 3.1Å; K1266-E1272 IonicContact NZ-OE1 2.73Å; K1266-E1272 PolarHBondContact NZ-OE1 3.49Å; K1266-E1272 IonicContact NZ-OE2 3.36Å; K1266-E1272 PolarHBondContact NZ-OE2 3.07Å
1267I92.4Very high90.1Very high111 Ų11148.9 Ų48.957%0.56928%0.284SS*.PPolyproline II helixtrans-63.9129.4166.4-68.2171.1000108.3P1239 F1294P1239-I1267 PolarHBondContact O-N 2.76Å; P1239-I1267 VanDerWaalsContact O-N 3.08Å; I1267-F1294 HydrophobicContact CB-CE1 4.44Å; I1267-F1294 HydrophobicContact CG1-CE1 4.2Å; I1267-F1294 HydrophobicContact CG2-CD1 4.22Å; I1267-F1294 HydrophobicContact CG2-CE1 3.84Å
1268P92.4Very high89.8Confident10 Ų1050 Ų507%0.06529%0.291CS..PPolyproline II helixtrans-73.6151.1175.332.3-36.5000111.1I1236 V1263 E1272 V1273 F1294I1236-P1268 HydrophobicContact CD1-CG 4.39Å; I1236-P1268 HydrophobicContact CG2-CG 4.37Å; V1263-P1268 HydrophobicContact CB-CB 4.23Å; V1263-P1268 HydrophobicContact CG1-CB 4.04Å; V1263-P1268 HydrophobicContact CG2-CB 4.03Å; P1268-E1272 WeakPolarHBondContact CA-OE2 3.36Å; P1268-E1272 HydrophobicContact CB-CB 4.33Å; P1268-V1273 HydrophobicContact CB-CG2 3.81Å; P1268-V1273 HydrophobicContact CG-CG2 3.66Å; P1268-F1294 HydrophobicContact CG-CB 4.25Å; P1268-F1294 HydrophobicContact CG-CD1 4.07Å; P1268-F1294 HydrophobicContact CG-CG 4.05Å
1269T91Very high89.9Confident69 Ų6948.8 Ų48.842%0.42328%0.275SS..PPolyproline II helixtrans-75.4160.7170.270.80000111.3E1271 E1272 V1273T1269-E1271 PolarHBondContact O-N 3.27Å; T1269-E1272 PolarHBondContact N-OE2 3.05Å; T1269-E1272 PolarHBondContact O-N 2.88Å; T1269-E1272 VanDerWaalsContact O-N 3.17Å; T1269-E1272 WeakPolarHBondContact OG1-CG 3.17Å; T1269-E1272 PolarHBondContact OG1-N 3.27Å; T1269-E1272 VanDerWaalsContact OG1-N 3.13Å; T1269-V1273 WeakPolarHBondContact O-CG2 3.37Å; T1269-V1273 PolarHBondContact O-N 3.1Å
1270V86.7Confident90Very high68 Ų6847.2 Ų47.241%0.41226%0.261SS..Hα-helixtrans-55.2-40.6174.1170.70000111.4V1273 N1274 H1297V1270-V1273 PolarHBondContact O-N 3.28Å; V1270-N1274 VanDerWaalsContact O-CB 3.28Å; V1270-N1274 WeakPolarHBondContact O-CB 3.44Å; V1270-N1274 PolarHBondContact O-N 3.38Å; V1270-N1274 PolarHBondContact O-OD1 3.38Å; V1270-H1297 VanDerWaalsContact CG1-CE1 3.49Å; V1270-H1297 WeakPolarHBondContact CG1-CE1 3.43Å; V1270-H1297 WeakPolarHBondContact CG1-ND1 3.21Å
1271E87.4Confident89.9Confident157 Ų15747 Ų4773%0.73426%0.262SS*.Hα-helixtrans-65.2-43.8176.7-67.6161.8-154.300112.4T1269 V1273 N1274 N1275T1269-E1271 PolarHBondContact O-N 3.27Å; E1271-V1273 VanDerWaalsContact C-N 3.35Å; E1271-V1273 PolarHBondContact O-N 2.94Å; E1271-N1274 PolarHBondContact O-N 2.98Å; E1271-N1275 WeakPolarHBondContact O-CB 3.29Å; E1271-N1275 PolarHBondContact O-N 2.89Å
1272E91.3Very high89.9Confident54 Ų5443.9 Ų43.925%0.25224%0.242SC..Hα-helixtrans-59.3-45.1175.4-74.8175.8138.200111.1F1234 V1263 K1266 P1268 T1269 G1276F1234-E1272 HydrophobicContact CZ-CB 4.31Å; F1234-E1272 VanDerWaalsContact CZ-O 3.26Å; F1234-E1272 WeakPolarHBondContact CZ-O 3.5Å; V1263-E1272 HydrophobicContact CG2-CB 4.3Å; V1263-E1272 HydrophobicContact CG2-CG 4.34Å; K1266-E1272 IonicContact NZ-OE1 2.73Å; K1266-E1272 PolarHBondContact NZ-OE1 3.49Å; K1266-E1272 IonicContact NZ-OE2 3.36Å; K1266-E1272 PolarHBondContact NZ-OE2 3.07Å; P1268-E1272 WeakPolarHBondContact CA-OE2 3.36Å; P1268-E1272 HydrophobicContact CB-CB 4.33Å; T1269-E1272 PolarHBondContact N-OE2 3.05Å; T1269-E1272 PolarHBondContact O-N 2.88Å; T1269-E1272 VanDerWaalsContact O-N 3.17Å; T1269-E1272 WeakPolarHBondContact OG1-CG 3.17Å; T1269-E1272 PolarHBondContact OG1-N 3.27Å; T1269-E1272 VanDerWaalsContact OG1-N 3.13Å; E1272-G1276 PolarHBondContact O-N 2.59Å
1273V88.2Confident89.9Confident5 Ų542.5 Ų42.53%0.0323%0.228CC..Hα-helixtrans-66.8-48177.5-1790000111.6I1236 P1268 T1269 V1270 E1271 N1275 G1276 F1277 F1294 L1295 T1298I1236-V1273 HydrophobicContact CD1-CG2 4.37Å; P1268-V1273 HydrophobicContact CB-CG2 3.81Å; P1268-V1273 HydrophobicContact CG-CG2 3.66Å; T1269-V1273 WeakPolarHBondContact O-CG2 3.37Å; T1269-V1273 PolarHBondContact O-N 3.1Å; V1270-V1273 PolarHBondContact O-N 3.28Å; E1271-V1273 VanDerWaalsContact C-N 3.35Å; E1271-V1273 PolarHBondContact O-N 2.94Å; V1273-N1275 PolarHBondContact O-N 2.93Å; V1273-G1276 PolarHBondContact O-N 3.03Å; V1273-F1277 VanDerWaalsContact O-CB 3.28Å; V1273-F1277 WeakPolarHBondContact O-CB 3.46Å; V1273-F1277 PolarHBondContact O-N 2.74Å; V1273-F1294 HydrophobicContact CG2-CB 4.15Å; V1273-L1295 HydrophobicContact CG1-CD2 3.78Å; V1273-L1295 HydrophobicContact CG1-CG 4.42Å; V1273-T1298 WeakPolarHBondContact CG1-OG1 3.48Å
1274N86.5Confident89.9Confident25 Ų2542.4 Ų42.413%0.13423%0.227CC..Hα-helixtrans-61.8-42.5-178.7-76-3000111.9V1270 E1271 F1277 T1278 T1298 Q1301 L1303V1270-N1274 VanDerWaalsContact O-CB 3.28Å; V1270-N1274 WeakPolarHBondContact O-CB 3.44Å; V1270-N1274 PolarHBondContact O-N 3.38Å; V1270-N1274 PolarHBondContact O-OD1 3.38Å; E1271-N1274 PolarHBondContact O-N 2.98Å; N1274-F1277 PolarHBondContact O-N 2.84Å; N1274-T1278 WeakPolarHBondContact O-CB 3.32Å; N1274-T1278 WeakPolarHBondContact O-CG2 3.2Å; N1274-T1278 PolarHBondContact O-N 2.95Å; N1274-T1278 PolarHBondContact O-OG1 3.49Å; N1274-T1298 WeakPolarHBondContact OD1-CB 3.35Å; N1274-T1298 WeakPolarHBondContact OD1-CG2 3.25Å; N1274-T1298 PolarHBondContact OD1-OG1 3.44Å; N1274-Q1301 PolarHBondContact ND2-OE1 2.63Å; N1274-L1303 HydrophobicContact CB-CD1 4.08Å; N1274-L1303 VanDerWaalsContact CG-CD1 3.49Å
1275N86.4Confident89.9Confident75 Ų7541 Ų4140%0.40122%0.219SC..Hα-helixtrans-65.3-43174.5-17624.1000111.5E1271 V1273 F1277 N1279 H1280E1271-N1275 WeakPolarHBondContact O-CB 3.29Å; E1271-N1275 PolarHBondContact O-N 2.89Å; V1273-N1275 PolarHBondContact O-N 2.93Å; N1275-F1277 VanDerWaalsContact C-N 3.28Å; N1275-F1277 PolarHBondContact O-N 2.97Å; N1275-N1279 WeakPolarHBondContact O-CB 3.36Å; N1275-N1279 PolarHBondContact O-N 2.77Å; N1275-N1279 VanDerWaalsContact O-N 3.08Å; N1275-N1279 PolarHBondContact OD1-ND2 2.92Å; N1275-H1280 PolarHBondContact O-ND1 3.35Å
1276G86Confident89.9Confident0 Ų040.2 Ų40.20%021%0.209CC..Hα-helixtrans-58.6-36.8173.800000113.8E1272 V1273 H1280E1272-G1276 PolarHBondContact O-N 2.59Å; V1273-G1276 PolarHBondContact O-N 3.03Å; G1276-H1280 WeakPolarHBondContact O-CB 3.45Å
1277F84Confident89.8Confident1 Ų136.1 Ų36.10%0.00419%0.193CC..Hα-helixtrans-82.8-37.4-175.9-171.2-104.2000113.9V1273 N1274 N1275 L1283 L1295 T1298 F1299 L1303 A1305 H1334 A1337V1273-F1277 VanDerWaalsContact O-CB 3.28Å; V1273-F1277 WeakPolarHBondContact O-CB 3.46Å; V1273-F1277 PolarHBondContact O-N 2.74Å; N1274-F1277 PolarHBondContact O-N 2.84Å; N1275-F1277 VanDerWaalsContact C-N 3.28Å; N1275-F1277 PolarHBondContact O-N 2.97Å; F1277-L1283 HydrophobicContact CD2-CD2 3.95Å; F1277-L1295 HydrophobicContact CD2-CD2 4.29Å; F1277-T1298 HydrophobicContact CB-CG2 3.94Å; F1277-T1298 HydrophobicContact CD1-CG2 3.24Å; F1277-T1298 HydrophobicContact CD2-CG2 4.43Å; F1277-T1298 HydrophobicContact CE1-CG2 3.71Å; F1277-T1298 HydrophobicContact CG-CG2 3.65Å; F1277-T1298 HydrophobicContact CZ-CG2 4.5Å; F1277-F1299 HydrophobicContact CE1-CE1 4.49Å; F1277-F1299 AromaticContact CE2-CE1 3.73Å; F1277-F1299 HydrophobicContact CE2-CE1 3.73Å; F1277-F1299 HydrophobicContact CE2-CZ 4.45Å; F1277-F1299 AromaticContact CZ-CD1 3.95Å; F1277-F1299 HydrophobicContact CZ-CD1 3.95Å; F1277-F1299 AromaticContact CZ-CE1 3.51Å; F1277-F1299 HydrophobicContact CZ-CE1 3.51Å; F1277-L1303 WeakPolarHBondContact CE1-O 3.43Å; F1277-A1305 HydrophobicContact CD1-CB 3.71Å; F1277-A1305 HydrophobicContact CD2-CB 4.08Å; F1277-A1305 HydrophobicContact CE1-CB 3.37Å; F1277-A1305 HydrophobicContact CE2-CB 3.74Å; F1277-A1305 HydrophobicContact CG-CB 4.06Å; F1277-A1305 HydrophobicContact CZ-CB 3.37Å; F1277-A1305 WeakPolarHBondContact O-CB 3.48Å; F1277-H1334 AromaticContact CE2-ND1 3.82Å; F1277-A1337 HydrophobicContact CE1-CB 3.81Å; F1277-A1337 HydrophobicContact CZ-CB 3.53Å
1278T83.2Confident89.7Confident33 Ų3334.8 Ų34.820%0.20218%0.184CC..Hα-helixtrans-90.8-45.5-174.5540000113N1274 L1303 R1306N1274-T1278 WeakPolarHBondContact O-CB 3.32Å; N1274-T1278 WeakPolarHBondContact O-CG2 3.2Å; N1274-T1278 PolarHBondContact O-N 2.95Å; N1274-T1278 PolarHBondContact O-OG1 3.49Å; T1278-L1303 HydrophobicContact CG2-CB 4.21Å; T1278-R1306 PolarHBondContact O-NE 2.75Å
1279N86.3Confident89.5Confident98 Ų9835.5 Ų35.552%0.52419%0.193SC..SBendtrans-92.7-6.8-167.3-68.2-37.2000114.5N1275 R1306N1275-N1279 WeakPolarHBondContact O-CB 3.36Å; N1275-N1279 PolarHBondContact O-N 2.77Å; N1275-N1279 VanDerWaalsContact O-N 3.08Å; N1275-N1279 PolarHBondContact OD1-ND2 2.92Å; N1279-R1306 PolarHBondContact O-NH2 2.97Å
1280H90.3Very high89.2Confident24 Ų2433.5 Ų33.511%0.11118%0.18CC..  trans-108.2161.1-176.2-62.677.5000112.8R1232 F1234 T1261 N1275 G1276 R1306R1232-H1280 WeakPolarHBondContact O-CB 3.3Å; F1234-H1280 HydrophobicContact CB-CB 4.19Å; T1261-H1280 PolarHBondContact OG1-NE2 3.04Å; N1275-H1280 PolarHBondContact O-ND1 3.35Å; G1276-H1280 WeakPolarHBondContact O-CB 3.45Å; H1280-R1306 WeakPolarHBondContact O-CG 3.2Å
1281D90.3Very high88.9Confident13 Ų1330.3 Ų30.37%0.0716%0.161CC..SBendtrans-96.5-22.8-179.7-75.254.5000111.7F1228 N1229 R1232 R1306 S1307 V1308F1228-D1281 HydrophobicContact CB-CB 4.24Å; N1229-D1281 HydrophobicContact CB-CB 4.41Å; N1229-D1281 PolarHBondContact N-OD2 3.16Å; N1229-D1281 WeakPolarHBondContact O-CB 3.37Å; R1232-D1281 HydrophobicContact CB-CB 3.86Å; R1232-D1281 WeakPolarHBondContact CD-OD1 3.23Å; R1232-D1281 PolarHBondContact O-N 3.19Å; D1281-R1306 VanDerWaalsContact CG-NH1 3.35Å; D1281-R1306 IonicContact OD1-CZ 3.71Å; D1281-R1306 IonicContact OD1-NH1 2.8Å; D1281-R1306 PolarHBondContact OD1-NH1 3.18Å; D1281-R1306 IonicContact OD1-NH2 3.85Å; D1281-R1306 PolarHBondContact OD1-NH2 2.83Å; D1281-R1306 IonicContact OD2-NH1 2.72Å; D1281-S1307 WeakPolarHBondContact O-CA 3.43Å; D1281-V1308 PolarHBondContact O-N 2.76Å
1282L93.4Very high88.5Confident0 Ų025 Ų250%014%0.141CC..EExtended strand (participates in β ladder)trans-135.9131.2179.7176.361.6000109.9F1228 P1230 R1232 A1233 F1234 W1260 I1284 V1308 L1310 L1366F1228-L1282 HydrophobicContact CD2-CB 4.25Å; F1228-L1282 HydrophobicContact CE2-CB 4.15Å; F1228-L1282 HydrophobicContact CE2-CD1 4.24Å; F1228-L1282 HydrophobicContact CE2-CD2 4.26Å; F1228-L1282 HydrophobicContact CE2-CG 4.45Å; P1230-L1282 HydrophobicContact CB-CD2 4.46Å; R1232-L1282 PolarHBondContact O-N 3.38Å; R1232-L1282 VanDerWaalsContact O-N 3.15Å; A1233-L1282 CarbonylContact C-O 3.57Å; A1233-L1282 VanDerWaalsContact CA-O 3.26Å; A1233-L1282 WeakPolarHBondContact CA-O 3.39Å; A1233-L1282 HydrophobicContact CB-CB 3.97Å; A1233-L1282 HydrophobicContact CB-CD2 3.99Å; A1233-L1282 HydrophobicContact CB-CG 4.12Å; F1234-L1282 PolarHBondContact N-O 3.34Å; W1260-L1282 HydrophobicContact CZ2-CD2 4.07Å; L1282-I1284 HydrophobicContact CD1-CG1 4.29Å; L1282-I1284 HydrophobicContact CD2-CD1 4.14Å; L1282-I1284 HydrophobicContact CD2-CG1 4.43Å; L1282-I1284 HydrophobicContact CG-CD1 4.33Å; L1282-I1284 HydrophobicContact CG-CG1 4.07Å; L1282-V1308 CarbonylContact C-O 3.47Å; L1282-V1308 WeakPolarHBondContact CA-O 3.45Å; L1282-V1308 HydrophobicContact CD1-CB 4.45Å; L1282-V1308 HydrophobicContact CD1-CG1 4.33Å; L1282-L1310 HydrophobicContact CD1-CD1 4.3Å; L1282-L1310 HydrophobicContact CD1-CG 4.24Å; L1282-L1366 HydrophobicContact CD2-CD1 3.8Å
1283L93.5Very high87.9Confident3 Ų328 Ų282%0.01616%0.155CC..EExtended strand (participates in β ladder)trans-120.7125.6176.7174.163.3000109.4F1234 F1277 L1295 V1308 A1309 L1310F1234-L1283 HydrophobicContact CB-CD1 4.45Å; F1234-L1283 HydrophobicContact CD1-CD1 3.82Å; F1234-L1283 CarbonylContact O-C 3.51Å; F1234-L1283 WeakPolarHBondContact O-CA 3.38Å; F1277-L1283 HydrophobicContact CD2-CD2 3.95Å; L1283-L1295 HydrophobicContact CD2-CD2 4.27Å; L1283-V1308 PolarHBondContact N-O 2.94Å; L1283-A1309 CarbonylContact O-C 3.27Å; L1283-A1309 WeakPolarHBondContact O-CA 3.23Å; L1283-L1310 PolarHBondContact O-N 2.92Å
1284I95.6Very high87.5Confident1 Ų128.6 Ų28.61%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-122.6118.3179.8-50.6-174.7000110.4F1234 Y1235 I1236 W1260 L1282 L1286 L1310 L1362F1234-I1284 PolarHBondContact O-N 3.39Å; Y1235-I1284 CarbonylContact C-O 3.49Å; Y1235-I1284 VanDerWaalsContact CA-O 3.25Å; Y1235-I1284 WeakPolarHBondContact CA-O 3.43Å; I1236-I1284 PolarHBondContact N-O 3.33Å; W1260-I1284 HydrophobicContact CH2-CD1 3.44Å; W1260-I1284 VanDerWaalsContact CH2-CD1 3.44Å; W1260-I1284 HydrophobicContact CZ2-CD1 4.36Å; W1260-I1284 HydrophobicContact CZ3-CD1 3.61Å; L1282-I1284 HydrophobicContact CD1-CG1 4.29Å; L1282-I1284 HydrophobicContact CD2-CD1 4.14Å; L1282-I1284 HydrophobicContact CD2-CG1 4.43Å; L1282-I1284 HydrophobicContact CG-CD1 4.33Å; L1282-I1284 HydrophobicContact CG-CG1 4.07Å; I1284-L1286 HydrophobicContact CG2-CD2 3.92Å; I1284-L1286 HydrophobicContact CG2-CG 3.97Å; I1284-L1310 HydrophobicContact CD1-CD1 4.29Å; I1284-L1310 HydrophobicContact CG1-CB 4.47Å; I1284-L1310 HydrophobicContact CG1-CD1 4.19Å; I1284-L1310 HydrophobicContact CG2-CB 4.41Å; I1284-L1362 HydrophobicContact CD1-CD2 4.21Å
1285F95.2Very high87.2Confident1 Ų127.5 Ų27.50%0.00415%0.151CC..EExtended strand (participates in β ladder)trans-109.8114.8171.9173.4-91.6000110I1236 P1239 H1288 G1291 F1294 L1310 I1311 L1312I1236-F1285 HydrophobicContact CB-CD2 4.07Å; I1236-F1285 HydrophobicContact CG2-CD2 3.96Å; I1236-F1285 HydrophobicContact CG2-CE2 4.26Å; P1239-F1285 HydrophobicContact CG-CE2 4.1Å; F1285-H1288 WeakPolarHBondContact CZ-O 3.43Å; F1285-G1291 VanDerWaalsContact CZ-CA 3.41Å; F1285-F1294 AromaticContact CE2-CD2 3.9Å; F1285-F1294 HydrophobicContact CE2-CD2 3.9Å; F1285-F1294 AromaticContact CE2-CE2 3.92Å; F1285-F1294 HydrophobicContact CE2-CE2 3.92Å; F1285-F1294 HydrophobicContact CZ-CE2 4.49Å; F1285-L1310 PolarHBondContact N-O 3.45Å; F1285-I1311 HydrophobicContact CB-CD1 3.82Å; F1285-I1311 HydrophobicContact CD1-CG2 3.89Å; F1285-I1311 HydrophobicContact CG-CG2 4.49Å; F1285-L1312 PolarHBondContact O-N 2.85Å
1286L95.1Very high86.5Confident5 Ų526 Ų263%0.02614%0.143CC..EExtended strand (participates in β ladder)trans-114.297.3173.2-56.4-170.5000108.7I1236 L1237 N1238 T1246 F1250 F1254 I1284 L1312 T1358I1236-L1286 PolarHBondContact O-N 3.37Å; L1237-L1286 HydrophobicContact CD1-CB 3.85Å; L1237-L1286 HydrophobicContact CD1-CD1 4.06Å; N1238-L1286 PolarHBondContact N-O 2.91Å; T1246-L1286 HydrophobicContact CG2-CB 4.21Å; T1246-L1286 HydrophobicContact CG2-CD1 4.44Å; F1250-L1286 HydrophobicContact CB-CD1 4.07Å; F1250-L1286 HydrophobicContact CD1-CD1 4.13Å; F1250-L1286 HydrophobicContact CD2-CD1 3.5Å; F1250-L1286 HydrophobicContact CE2-CD1 3.97Å; F1250-L1286 HydrophobicContact CG-CD1 3.61Å; F1250-L1286 HydrophobicContact CZ-CD1 4.46Å; F1254-L1286 HydrophobicContact CE2-CD1 3.85Å; F1254-L1286 HydrophobicContact CZ-CD1 3.84Å; I1284-L1286 HydrophobicContact CG2-CD2 3.92Å; I1284-L1286 HydrophobicContact CG2-CG 3.97Å; L1286-L1312 HydrophobicContact CD2-CB 3.82Å; L1286-L1312 HydrophobicContact CD2-CD1 4.07Å; L1286-L1312 HydrophobicContact CD2-CG 4.42Å; L1286-T1358 HydrophobicContact CD2-CG2 4.15Å
1287G91.7Very high85.7Confident6 Ų630.1 Ų30.16%0.06216%0.162CC..SBendtrans-174-171.2-171.900000112.9G1313G1287-G1313 WeakPolarHBondContact O-CA 3.39Å
1288H89.5Confident84.9Confident82 Ų8230 Ų3038%0.3816%0.162SC..SBendtrans-75.2143.9179.9-69.8-67.9000113.2E1240 N1242 L1243 F1285 N1290E1240-H1288 IonicContact OE2-CD2 2.84Å; E1240-H1288 PolarHBondContact OE2-CD2 2.86Å; E1240-H1288 VanDerWaalsContact OE2-CD2 3.28Å; N1242-H1288 PolarHBondContact ND2-CD2 2.93Å; N1242-H1288 PolarHBondContact OD1-CD2 2.64Å; L1243-H1288 WeakPolarHBondContact CD2-NE2 3.44Å; F1285-H1288 WeakPolarHBondContact CZ-O 3.43Å; H1288-N1290 PolarHBondContact O-N 2.97Å
1289G87.8Confident84.3Confident26 Ų2629.9 Ų29.927%0.26816%0.158SC..THydrogen-bonded Turntrans58.9-132.3175.500000113.1G1313 C1314 S1316G1289-G1313 CarbonylContact O-C 3.46Å; G1289-G1313 VanDerWaalsContact O-CA 3.26Å; G1289-G1313 WeakPolarHBondContact O-CA 3.46Å; G1289-C1314 WeakPolarHBondContact CA-O 3.44Å; G1289-S1316 WeakPolarHBondContact O-CB 3.33Å
1290N84.3Confident83.2Confident27 Ų2731.2 Ų31.214%0.14417%0.165CC..THydrogen-bonded Turntrans-1118.3-173.559.73.3000113.6H1288 S1292 S1330H1288-N1290 PolarHBondContact O-N 2.97Å; N1290-S1292 PolarHBondContact O-N 3.05Å; N1290-S1292 VanDerWaalsContact O-N 3.15Å; N1290-S1292 VanDerWaalsContact OD1-CB 3.32Å; N1290-S1292 WeakPolarHBondContact OD1-CB 3.21Å; N1290-S1292 PolarHBondContact OD1-N 3.05Å; N1290-S1292 PolarHBondContact OD1-OG 2.94Å; N1290-S1292 VanDerWaalsContact OD1-OG 3.06Å; N1290-S1330 WeakPolarHBondContact CB-OG 3.47Å; N1290-S1330 VanDerWaalsContact ND2-CB 3.28Å; N1290-S1330 WeakPolarHBondContact ND2-CB 3.47Å; N1290-S1330 PolarHBondContact ND2-OG 2.86Å
1291G81.2Confident82Confident1 Ų134.9 Ų34.91%0.0118%0.182CC..  trans6412.1-175.300000115.9F1285 Q1293 F1294 L1295F1285-G1291 VanDerWaalsContact CZ-CA 3.41Å; G1291-Q1293 PolarHBondContact O-N 3.38Å; G1291-Q1293 VanDerWaalsContact O-N 3.15Å; G1291-F1294 PolarHBondContact O-N 2.87Å; G1291-L1295 PolarHBondContact O-N 2.69Å; G1291-L1295 VanDerWaalsContact O-N 3.09Å
1292S78.7Confident80.7Confident45 Ų4535.6 Ų35.632%0.31519%0.193SC..Hα-helixtrans-62.4-28.3-17165.50000114N1290 F1294 L1295 L1296N1290-S1292 PolarHBondContact O-N 3.05Å; N1290-S1292 VanDerWaalsContact O-N 3.15Å; N1290-S1292 VanDerWaalsContact OD1-CB 3.32Å; N1290-S1292 WeakPolarHBondContact OD1-CB 3.21Å; N1290-S1292 PolarHBondContact OD1-N 3.05Å; N1290-S1292 PolarHBondContact OD1-OG 2.94Å; N1290-S1292 VanDerWaalsContact OD1-OG 3.06Å; S1292-F1294 PolarHBondContact O-N 2.84Å; S1292-F1294 VanDerWaalsContact O-N 3.16Å; S1292-L1295 PolarHBondContact O-N 3.19Å; S1292-L1296 WeakPolarHBondContact O-CB 3.18Å; S1292-L1296 PolarHBondContact O-N 3.44Å
1293Q79Confident79.5Confident116 Ų11638.1 Ų38.154%0.54221%0.207SC..Hα-helixtrans-57.3-23.5173.255.8176.4-35.500113.8E1240 G1291E1240-Q1293 PolarHBondContact OE1-NE2 3.21Å; G1291-Q1293 PolarHBondContact O-N 3.38Å; G1291-Q1293 VanDerWaalsContact O-N 3.15Å
1294F80.3Confident78.4Confident19 Ų1941.2 Ų41.28%0.08323%0.228CC..Hα-helixtrans-103.5-44.3176.7-43.7-58000111.4P1239 I1267 P1268 V1273 F1285 G1291 S1292P1239-F1294 HydrophobicContact CB-CE2 3.87Å; P1239-F1294 HydrophobicContact CB-CZ 3.78Å; P1239-F1294 HydrophobicContact CG-CD2 4.45Å; P1239-F1294 HydrophobicContact CG-CE2 3.49Å; P1239-F1294 VanDerWaalsContact CG-CE2 3.49Å; P1239-F1294 HydrophobicContact CG-CZ 3.81Å; I1267-F1294 HydrophobicContact CB-CE1 4.44Å; I1267-F1294 HydrophobicContact CG1-CE1 4.2Å; I1267-F1294 HydrophobicContact CG2-CD1 4.22Å; I1267-F1294 HydrophobicContact CG2-CE1 3.84Å; P1268-F1294 HydrophobicContact CG-CB 4.25Å; P1268-F1294 HydrophobicContact CG-CD1 4.07Å; P1268-F1294 HydrophobicContact CG-CG 4.05Å; V1273-F1294 HydrophobicContact CG2-CB 4.15Å; F1285-F1294 AromaticContact CE2-CD2 3.9Å; F1285-F1294 HydrophobicContact CE2-CD2 3.9Å; F1285-F1294 AromaticContact CE2-CE2 3.92Å; F1285-F1294 HydrophobicContact CE2-CE2 3.92Å; F1285-F1294 HydrophobicContact CZ-CE2 4.49Å; G1291-F1294 PolarHBondContact O-N 2.87Å; S1292-F1294 PolarHBondContact O-N 2.84Å; S1292-F1294 VanDerWaalsContact O-N 3.16Å
1295L78.7Confident77.4Confident2 Ų241.6 Ų41.61%0.0123%0.232CC..Hα-helixtrans-82.6-21.5-171.4-69.3157.4000114.3V1273 F1277 L1283 G1291 S1292 H1297 T1298 F1299 I1311V1273-L1295 HydrophobicContact CG1-CD2 3.78Å; V1273-L1295 HydrophobicContact CG1-CG 4.42Å; F1277-L1295 HydrophobicContact CD2-CD2 4.29Å; L1283-L1295 HydrophobicContact CD2-CD2 4.27Å; G1291-L1295 PolarHBondContact O-N 2.69Å; G1291-L1295 VanDerWaalsContact O-N 3.09Å; S1292-L1295 PolarHBondContact O-N 3.19Å; L1295-H1297 VanDerWaalsContact C-N 3.27Å; L1295-H1297 PolarHBondContact O-N 3.06Å; L1295-T1298 WeakPolarHBondContact O-CB 3.33Å; L1295-T1298 PolarHBondContact O-N 2.85Å; L1295-F1299 HydrophobicContact CB-CE2 3.85Å; L1295-F1299 HydrophobicContact CB-CZ 4Å; L1295-F1299 VanDerWaalsContact O-CD2 3.24Å; L1295-F1299 WeakPolarHBondContact O-CD2 3.16Å; L1295-F1299 WeakPolarHBondContact O-CE2 3.33Å; L1295-F1299 PolarHBondContact O-N 3.04Å; L1295-I1311 HydrophobicContact CD1-CD1 4.3Å
1296L73.5Confident76.3Confident44 Ų4446.4 Ų46.423%0.2325%0.25CC..Hα-helixtrans-64.6-30.8-177-175.860.8000112.9S1292 F1299 N1300S1292-L1296 WeakPolarHBondContact O-CB 3.18Å; S1292-L1296 PolarHBondContact O-N 3.44Å; L1296-F1299 HydrophobicContact CD1-CD2 4.35Å; L1296-F1299 PolarHBondContact O-N 3.31Å; L1296-N1300 WeakPolarHBondContact O-CB 3.49Å; L1296-N1300 PolarHBondContact O-N 3.17Å; L1296-N1300 PolarHBondContact O-ND2 3.25Å; L1296-N1300 PolarHBondContact O-OD1 2.98Å
1297H68.4Low75.8Confident85 Ų8546.2 Ų46.239%0.39425%0.249SC..Hα-helixtrans-61.9-46.4174.4-170.6-80.9000111.5V1270 L1295 F1299 N1300 Q1301V1270-H1297 VanDerWaalsContact CG1-CE1 3.49Å; V1270-H1297 WeakPolarHBondContact CG1-CE1 3.43Å; V1270-H1297 WeakPolarHBondContact CG1-ND1 3.21Å; L1295-H1297 VanDerWaalsContact C-N 3.27Å; L1295-H1297 PolarHBondContact O-N 3.06Å; H1297-F1299 VanDerWaalsContact C-N 3.34Å; H1297-F1299 PolarHBondContact O-N 3.47Å; H1297-N1300 PolarHBondContact O-N 2.84Å; H1297-N1300 VanDerWaalsContact O-N 3.14Å; H1297-Q1301 PolarHBondContact CE1-OE1 3.19Å; H1297-Q1301 PolarHBondContact ND1-OE1 3.01Å; H1297-Q1301 WeakPolarHBondContact O-CG 3.48Å; H1297-Q1301 PolarHBondContact O-N 3.18Å
1298T67.4Low75.7Confident0 Ų045.9 Ų45.90%025%0.246CC..Hα-helixtrans-59.5-42.6179.2-48.60000111.9V1273 N1274 F1277 L1295 Q1301 L1303V1273-T1298 WeakPolarHBondContact CG1-OG1 3.48Å; N1274-T1298 WeakPolarHBondContact OD1-CB 3.35Å; N1274-T1298 WeakPolarHBondContact OD1-CG2 3.25Å; N1274-T1298 PolarHBondContact OD1-OG1 3.44Å; F1277-T1298 HydrophobicContact CB-CG2 3.94Å; F1277-T1298 HydrophobicContact CD1-CG2 3.24Å; F1277-T1298 HydrophobicContact CD2-CG2 4.43Å; F1277-T1298 HydrophobicContact CE1-CG2 3.71Å; F1277-T1298 HydrophobicContact CG-CG2 3.65Å; F1277-T1298 HydrophobicContact CZ-CG2 4.5Å; L1295-T1298 WeakPolarHBondContact O-CB 3.33Å; L1295-T1298 PolarHBondContact O-N 2.85Å; T1298-Q1301 PolarHBondContact O-N 3.43Å; T1298-L1303 HydrophobicContact CG2-CB 4.11Å; T1298-L1303 HydrophobicContact CG2-CD1 3.93Å; T1298-L1303 PolarHBondContact O-N 3.48Å
1299F69.5Low75.9Confident30 Ų3042 Ų4213%0.13223%0.228CC..Hα-helixtrans-66.4-41.3173.7-51.9-47.1000112.6F1277 L1295 L1296 H1297 Q1301 G1302 N1333 H1334 A1337F1277-F1299 HydrophobicContact CE1-CE1 4.49Å; F1277-F1299 AromaticContact CE2-CE1 3.73Å; F1277-F1299 HydrophobicContact CE2-CE1 3.73Å; F1277-F1299 HydrophobicContact CE2-CZ 4.45Å; F1277-F1299 AromaticContact CZ-CD1 3.95Å; F1277-F1299 HydrophobicContact CZ-CD1 3.95Å; F1277-F1299 AromaticContact CZ-CE1 3.51Å; F1277-F1299 HydrophobicContact CZ-CE1 3.51Å; L1295-F1299 HydrophobicContact CB-CE2 3.85Å; L1295-F1299 HydrophobicContact CB-CZ 4Å; L1295-F1299 VanDerWaalsContact O-CD2 3.24Å; L1295-F1299 WeakPolarHBondContact O-CD2 3.16Å; L1295-F1299 WeakPolarHBondContact O-CE2 3.33Å; L1295-F1299 PolarHBondContact O-N 3.04Å; L1296-F1299 HydrophobicContact CD1-CD2 4.35Å; L1296-F1299 PolarHBondContact O-N 3.31Å; H1297-F1299 VanDerWaalsContact C-N 3.34Å; H1297-F1299 PolarHBondContact O-N 3.47Å; F1299-Q1301 PolarHBondContact O-N 2.87Å; F1299-G1302 PolarHBondContact O-N 2.96Å; F1299-N1333 HydrophobicContact CB-CB 4.4Å; F1299-N1333 HydrophobicContact CD1-CB 3.85Å; F1299-N1333 HydrophobicContact CD2-CB 3.47Å; F1299-N1333 VanDerWaalsContact CD2-CB 3.47Å; F1299-N1333 WeakPolarHBondContact CD2-ND2 3.28Å; F1299-N1333 HydrophobicContact CE1-CB 3.92Å; F1299-N1333 HydrophobicContact CE2-CB 3.59Å; F1299-N1333 HydrophobicContact CG-CB 3.65Å; F1299-N1333 HydrophobicContact CZ-CB 3.82Å; F1299-H1334 AromaticContact CZ-CD2 3.51Å; F1299-H1334 AromaticContact CZ-CE1 3.92Å; F1299-H1334 AromaticContact CZ-CG 3.78Å; F1299-H1334 AromaticContact CZ-NE2 3.62Å; F1299-A1337 HydrophobicContact CD1-CB 4.39Å
1300N64.6Low76.2Confident125 Ų12540.8 Ų40.867%0.66822%0.215SC*.Hα-helixtrans-66.6-23.2179.3-69.8-8000112.9L1296 H1297 G1302L1296-N1300 WeakPolarHBondContact O-CB 3.49Å; L1296-N1300 PolarHBondContact O-N 3.17Å; L1296-N1300 PolarHBondContact O-ND2 3.25Å; L1296-N1300 PolarHBondContact O-OD1 2.98Å; H1297-N1300 PolarHBondContact O-N 2.84Å; H1297-N1300 VanDerWaalsContact O-N 3.14Å; N1300-G1302 VanDerWaalsContact C-N 3.28Å
1301Q63.6Low76.7Confident101 Ų10139.5 Ų39.547%0.47221%0.208SC..THydrogen-bonded Turntrans-82.41.2171.1-69.7-174.3-69.500113.6N1274 H1297 T1298 F1299 L1303N1274-Q1301 PolarHBondContact ND2-OE1 2.63Å; H1297-Q1301 PolarHBondContact CE1-OE1 3.19Å; H1297-Q1301 PolarHBondContact ND1-OE1 3.01Å; H1297-Q1301 WeakPolarHBondContact O-CG 3.48Å; H1297-Q1301 PolarHBondContact O-N 3.18Å; T1298-Q1301 PolarHBondContact O-N 3.43Å; F1299-Q1301 PolarHBondContact O-N 2.87Å; Q1301-L1303 HydrophobicContact CB-CD1 4.08Å; Q1301-L1303 HydrophobicContact CB-CG 3.92Å; Q1301-L1303 PolarHBondContact O-N 3.14Å
1302G63.1Low77.3Confident29 Ų2939.9 Ų39.930%0.29921%0.21SC..THydrogen-bonded Turntrans69.18.8179.900000115Q956 F1299 N1300 S1304Q956-G1302 PolarHBondContact NE2-O 2.91Å; F1299-G1302 PolarHBondContact O-N 2.96Å; N1300-G1302 VanDerWaalsContact C-N 3.28Å; G1302-S1304 PolarHBondContact O-N 3.42Å
1303L68.6Low77.9Confident53 Ų5338 Ų3828%0.27720%0.198SC..PPolyproline II helixtrans-62.4133-173.3-67.6171.3000111.7N1274 F1277 T1278 T1298 Q1301N1274-L1303 HydrophobicContact CB-CD1 4.08Å; N1274-L1303 VanDerWaalsContact CG-CD1 3.49Å; F1277-L1303 WeakPolarHBondContact CE1-O 3.43Å; T1278-L1303 HydrophobicContact CG2-CB 4.21Å; T1298-L1303 HydrophobicContact CG2-CB 4.11Å; T1298-L1303 HydrophobicContact CG2-CD1 3.93Å; T1298-L1303 PolarHBondContact O-N 3.48Å; Q1301-L1303 HydrophobicContact CB-CD1 4.08Å; Q1301-L1303 HydrophobicContact CB-CG 3.92Å; Q1301-L1303 PolarHBondContact O-N 3.14Å
1304S70.5Confident78.4Confident68 Ų6833.9 Ų33.948%0.47618%0.181SC..PPolyproline II helixtrans-82.3131178.3-32.90000111.4Q956 G1302 A1337Q956-S1304 PolarHBondContact NE2-OG 3.49Å; Q956-S1304 VanDerWaalsContact NE2-OG 3.13Å; Q956-S1304 PolarHBondContact OE1-OG 3.36Å; G1302-S1304 PolarHBondContact O-N 3.42Å; S1304-A1337 CarbonylContact C-O 3.53Å; S1304-A1337 VanDerWaalsContact CA-O 3.24Å; S1304-A1337 WeakPolarHBondContact CA-O 3.48Å
1305A73.9Confident78.9Confident9 Ų934.4 Ų34.47%0.07419%0.188CC..PPolyproline II helixtrans-97.9150.1168.800000111.6F1277 A1337 G1338 C1339F1277-A1305 HydrophobicContact CD1-CB 3.71Å; F1277-A1305 HydrophobicContact CD2-CB 4.08Å; F1277-A1305 HydrophobicContact CE1-CB 3.37Å; F1277-A1305 HydrophobicContact CE2-CB 3.74Å; F1277-A1305 HydrophobicContact CG-CB 4.06Å; F1277-A1305 HydrophobicContact CZ-CB 3.37Å; F1277-A1305 WeakPolarHBondContact O-CB 3.48Å; A1305-A1337 HydrophobicContact CB-CB 4.45Å; A1305-A1337 PolarHBondContact N-O 3.2Å; A1305-G1338 CarbonylContact O-C 3.58Å; A1305-G1338 WeakPolarHBondContact O-CA 3.27Å; A1305-C1339 VanDerWaalsContact CB-SG 3.55Å
1306R72.9Confident79.5Confident102 Ų10234.4 Ų34.439%0.38519%0.187SC..  trans-117.6-3.5163.569-162.9-17177.912.6112.7T1278 N1279 H1280 D1281T1278-R1306 PolarHBondContact O-NE 2.75Å; N1279-R1306 PolarHBondContact O-NH2 2.97Å; H1280-R1306 WeakPolarHBondContact O-CG 3.2Å; D1281-R1306 VanDerWaalsContact CG-NH1 3.35Å; D1281-R1306 IonicContact OD1-CZ 3.71Å; D1281-R1306 IonicContact OD1-NH1 2.8Å; D1281-R1306 PolarHBondContact OD1-NH1 3.18Å; D1281-R1306 IonicContact OD1-NH2 3.85Å; D1281-R1306 PolarHBondContact OD1-NH2 2.83Å; D1281-R1306 IonicContact OD2-NH1 2.72Å
1307S84.1Confident80.3Confident0 Ų032.3 Ų32.30%018%0.176CC..  trans-74.1132.7-176.464.80000111.8D1281 A1309 C1339D1281-S1307 WeakPolarHBondContact O-CA 3.43Å; S1307-A1309 PolarHBondContact O-N 3.23Å; S1307-C1339 WeakPolarHBondContact O-CB 3.47Å; S1307-C1339 PolarHBondContact O-SG 2.93Å
1308V90.5Very high81.3Confident0 Ų031 Ų310%017%0.169CC..EExtended strand (participates in β ladder)trans-63.8130.4157168.70000108.2F1228 D1281 L1282 L1283 P1340 F1341 W1365F1228-V1308 HydrophobicContact CB-CG2 4.35Å; F1228-V1308 HydrophobicContact CD1-CB 4.44Å; F1228-V1308 HydrophobicContact CD1-CG2 3.74Å; F1228-V1308 HydrophobicContact CE1-CG2 4.2Å; F1228-V1308 HydrophobicContact CG-CB 4.48Å; F1228-V1308 HydrophobicContact CG-CG2 3.99Å; D1281-V1308 PolarHBondContact O-N 2.76Å; L1282-V1308 CarbonylContact C-O 3.47Å; L1282-V1308 WeakPolarHBondContact CA-O 3.45Å; L1282-V1308 HydrophobicContact CD1-CB 4.45Å; L1282-V1308 HydrophobicContact CD1-CG1 4.33Å; L1283-V1308 PolarHBondContact N-O 2.94Å; V1308-P1340 HydrophobicContact CG2-CB 4.32Å; V1308-P1340 HydrophobicContact CG2-CG 4.18Å; V1308-F1341 HydrophobicContact CB-CE1 4.46Å; V1308-F1341 HydrophobicContact CG1-CD1 3.92Å; V1308-F1341 HydrophobicContact CG1-CD2 3.9Å; V1308-F1341 HydrophobicContact CG1-CE1 3.48Å; V1308-F1341 VanDerWaalsContact CG1-CE1 3.48Å; V1308-F1341 HydrophobicContact CG1-CE2 3.5Å; V1308-F1341 HydrophobicContact CG1-CG 4.13Å; V1308-F1341 HydrophobicContact CG1-CZ 3.29Å; V1308-F1341 HydrophobicContact CG2-CD1 4.17Å; V1308-F1341 HydrophobicContact CG2-CE1 4.09Å; V1308-W1365 HydrophobicContact CG1-CH2 4.15Å
1309A93Very high82.2Confident0 Ų031 Ų310%017%0.17CC..EExtended strand (participates in β ladder)trans-112.6130-172.200000112.7L1283 S1307 I1311 F1341 V1342 C1343L1283-A1309 CarbonylContact O-C 3.27Å; L1283-A1309 WeakPolarHBondContact O-CA 3.23Å; S1307-A1309 PolarHBondContact O-N 3.23Å; A1309-I1311 HydrophobicContact CB-CD1 4.32Å; A1309-I1311 HydrophobicContact CB-CG1 4.44Å; A1309-F1341 PolarHBondContact N-O 3.28Å; A1309-V1342 HydrophobicContact CB-CG1 4.04Å; A1309-V1342 CarbonylContact O-C 3.59Å; A1309-V1342 VanDerWaalsContact O-CA 3.3Å; A1309-V1342 WeakPolarHBondContact O-CA 3.49Å; A1309-C1343 PolarHBondContact O-N 2.84Å
1310L95.3Very high82.6Confident0 Ų038.3 Ų38.30%020%0.196CC..EExtended strand (participates in β ladder)trans-113.697.3173-54.7-176.4000109L1282 L1283 I1284 F1285 L1312 F1341 C1343 F1361 L1362 W1365L1282-L1310 HydrophobicContact CD1-CD1 4.3Å; L1282-L1310 HydrophobicContact CD1-CG 4.24Å; L1283-L1310 PolarHBondContact O-N 2.92Å; I1284-L1310 HydrophobicContact CD1-CD1 4.29Å; I1284-L1310 HydrophobicContact CG1-CB 4.47Å; I1284-L1310 HydrophobicContact CG1-CD1 4.19Å; I1284-L1310 HydrophobicContact CG2-CB 4.41Å; F1285-L1310 PolarHBondContact N-O 3.45Å; L1310-L1312 HydrophobicContact CB-CD1 4.4Å; L1310-L1312 HydrophobicContact CB-CG 4.39Å; L1310-F1341 HydrophobicContact CD2-CE2 4.1Å; L1310-C1343 HydrophobicContact CD2-CB 3.5Å; L1310-C1343 VanDerWaalsContact CD2-CB 3.5Å; L1310-F1361 HydrophobicContact CD1-CE1 4.11Å; L1310-F1361 HydrophobicContact CD2-CE1 4.16Å; L1310-L1362 HydrophobicContact CD1-CD2 3.71Å; L1310-W1365 HydrophobicContact CD1-CZ3 4.32Å; L1310-W1365 HydrophobicContact CD2-CZ3 4.4Å
1311I94.7Very high82.9Confident0 Ų034.1 Ų34.10%018%0.177CC..EExtended strand (participates in β ladder)trans-102.182.5-176.8-49.4-55.9000108.6F1285 L1295 A1309 G1313 S1316 L1331 V1342 C1343 G1344F1285-I1311 HydrophobicContact CB-CD1 3.82Å; F1285-I1311 HydrophobicContact CD1-CG2 3.89Å; F1285-I1311 HydrophobicContact CG-CG2 4.49Å; L1295-I1311 HydrophobicContact CD1-CD1 4.3Å; A1309-I1311 HydrophobicContact CB-CD1 4.32Å; A1309-I1311 HydrophobicContact CB-CG1 4.44Å; I1311-G1313 PolarHBondContact O-N 2.91Å; I1311-S1316 WeakPolarHBondContact O-CB 3.28Å; I1311-S1316 PolarHBondContact O-OG 3.1Å; I1311-L1331 HydrophobicContact CB-CD2 3.96Å; I1311-L1331 HydrophobicContact CG1-CD2 4.01Å; I1311-L1331 HydrophobicContact CG2-CD2 4.15Å; I1311-V1342 HydrophobicContact CG1-CG1 4.01Å; I1311-C1343 PolarHBondContact N-O 3.39Å; I1311-G1344 WeakPolarHBondContact O-CA 3.33Å
1312L93.7Very high83.1Confident10 Ų1030.9 Ų30.95%0.05216%0.164CC..EExtended strand (participates in β ladder)trans-101.274.9-168.5-58.2175.8000111.2F1285 L1286 L1310 L1345 T1358F1285-L1312 PolarHBondContact O-N 2.85Å; L1286-L1312 HydrophobicContact CD2-CB 3.82Å; L1286-L1312 HydrophobicContact CD2-CD1 4.07Å; L1286-L1312 HydrophobicContact CD2-CG 4.42Å; L1310-L1312 HydrophobicContact CB-CD1 4.4Å; L1310-L1312 HydrophobicContact CB-CG 4.39Å; L1312-L1345 HydrophobicContact CD2-CD2 4.23Å; L1312-T1358 HydrophobicContact CD1-CG2 3.55Å
1313G90.4Very high83.2Confident6 Ų630.1 Ų30.16%0.06216%0.156CC..SBendtrans-131.2162.4167.800000112.1G1287 G1289 I1311 S1315 S1316 L1345G1287-G1313 WeakPolarHBondContact O-CA 3.39Å; G1289-G1313 CarbonylContact O-C 3.46Å; G1289-G1313 VanDerWaalsContact O-CA 3.26Å; G1289-G1313 WeakPolarHBondContact O-CA 3.46Å; I1311-G1313 PolarHBondContact O-N 2.91Å; G1313-S1315 PolarHBondContact O-N 2.88Å; G1313-S1316 WeakPolarHBondContact O-CB 3.32Å; G1313-S1316 PolarHBondContact O-N 3.24Å; G1313-S1316 VanDerWaalsContact O-N 3.1Å; G1313-S1316 PolarHBondContact O-OG 3.1Å; G1313-L1345 WeakPolarHBondContact O-CD1 3.38Å
1314C90.1Very high83.1Confident28 Ų2829 Ų2919%0.18915%0.148CC..THydrogen-bonded Turntrans-54.7131.5-178.5-66.50000112.4G1289 S1316 D1348G1289-C1314 WeakPolarHBondContact CA-O 3.44Å; C1314-S1316 PolarHBondContact O-N 2.81Å; C1314-D1348 HydrophobicContact CB-CB 4.17Å; C1314-D1348 WeakPolarHBondContact CB-OD1 3.47Å
1315S90.5Very high83.1Confident31 Ų3125.9 Ų25.922%0.21713%0.126CC..THydrogen-bonded Turntrans52.418.4-175.5-66.50000116G1313 G1317 K1318 L1345 W1347 D1348G1313-S1315 PolarHBondContact O-N 2.88Å; S1315-G1317 VanDerWaalsContact C-N 3.29Å; S1315-G1317 PolarHBondContact O-N 3.29Å; S1315-K1318 VanDerWaalsContact O-CB 3.23Å; S1315-K1318 WeakPolarHBondContact O-CB 3.19Å; S1315-K1318 PolarHBondContact O-N 3.47Å; S1315-L1345 CarbonylContact C-O 3.53Å; S1315-L1345 VanDerWaalsContact C-O 3.27Å; S1315-L1345 WeakPolarHBondContact CA-O 3.23Å; S1315-W1347 PolarHBondContact N-O 3.34Å; S1315-W1347 WeakPolarHBondContact OG-CA 3.48Å; S1315-D1348 VanDerWaalsContact CB-OD1 3.26Å; S1315-D1348 WeakPolarHBondContact CB-OD1 3.3Å; S1315-D1348 PolarHBondContact N-OD1 3.18Å; S1315-D1348 PolarHBondContact OG-OD1 3.36Å
1316S91.8Very high83.1Confident1 Ų127.2 Ų27.21%0.00713%0.131CC..THydrogen-bonded Turntrans-52.3-40.3179.942.20000114.6G1289 I1311 G1313 C1314 L1331 L1345G1289-S1316 WeakPolarHBondContact O-CB 3.33Å; I1311-S1316 WeakPolarHBondContact O-CB 3.28Å; I1311-S1316 PolarHBondContact O-OG 3.1Å; G1313-S1316 WeakPolarHBondContact O-CB 3.32Å; G1313-S1316 PolarHBondContact O-N 3.24Å; G1313-S1316 VanDerWaalsContact O-N 3.1Å; G1313-S1316 PolarHBondContact O-OG 3.1Å; C1314-S1316 PolarHBondContact O-N 2.81Å; S1316-L1331 WeakPolarHBondContact O-CG 3.42Å; S1316-L1345 PolarHBondContact N-O 2.88Å; S1316-L1345 PolarHBondContact OG-N 3.2Å
1317G89.9Confident83.3Confident0 Ų022.8 Ų22.80%012%0.115CC..THydrogen-bonded Turntrans-96.6-0.9177.900000114.4S1315 P1319 L1331 L1345 Y1407S1315-G1317 VanDerWaalsContact C-N 3.29Å; S1315-G1317 PolarHBondContact O-N 3.29Å; G1317-P1319 WeakPolarHBondContact O-CD 3.42Å; G1317-L1331 VanDerWaalsContact CA-CD1 3.42Å; G1317-L1345 CarbonylContact C-O 3.6Å; G1317-L1345 WeakPolarHBondContact CA-O 3.12Å; G1317-L1345 PolarHBondContact N-O 3.39Å; G1317-Y1407 WeakPolarHBondContact O-CE2 3.3Å; G1317-Y1407 PolarHBondContact O-OH 3.07Å; G1317-Y1407 VanDerWaalsContact O-OH 3.1Å
1318K90Very high83Confident57 Ų5727.4 Ų27.425%0.24813%0.133CC..  trans-64.4119.8-177.3-169.2167.1-172.6167.40110.6S1315 L1345 L1346S1315-K1318 VanDerWaalsContact O-CB 3.23Å; S1315-K1318 WeakPolarHBondContact O-CB 3.19Å; S1315-K1318 PolarHBondContact O-N 3.47Å; K1318-L1345 PolarHBondContact N-O 2.95Å; K1318-L1346 VanDerWaalsContact CB-O 3.26Å; K1318-L1346 WeakPolarHBondContact CB-O 3.5Å; K1318-L1346 VanDerWaalsContact CD-O 3.29Å; K1318-L1346 WeakPolarHBondContact CD-O 3.2Å; K1318-L1346 WeakPolarHBondContact CG-O 3.47Å
1319P84.7Confident82.6Confident2 Ų227.5 Ų27.51%0.01313%0.134CC..  trans-66.6143.9172.325.5-29.5000110.6I1169 Y1170 G1317 P1327I1169-P1319 HydrophobicContact CB-CG 4.4Å; I1169-P1319 HydrophobicContact CD1-CB 4.22Å; I1169-P1319 HydrophobicContact CD1-CG 4.35Å; I1169-P1319 HydrophobicContact CG1-CB 4.46Å; I1169-P1319 HydrophobicContact CG1-CG 4.05Å; I1169-P1319 HydrophobicContact CG2-CB 4.11Å; I1169-P1319 HydrophobicContact CG2-CG 3.7Å; Y1170-P1319 HydrophobicContact CD1-CG 3.91Å; Y1170-P1319 HydrophobicContact CE1-CB 4.46Å; Y1170-P1319 HydrophobicContact CE1-CG 3.71Å; Y1170-P1319 WeakPolarHBondContact CE1-O 3.28Å; Y1170-P1319 HydrophobicContact CG-CG 4.41Å; Y1170-P1319 PolarHBondContact OH-O 3.47Å; G1317-P1319 WeakPolarHBondContact O-CD 3.42Å; P1319-P1327 HydrophobicContact CB-CB 3.93Å
1320R78.2Confident82Confident182 Ų18228.3 Ų28.369%0.68714%0.139SC*.EExtended strand (participates in β ladder)trans-106.9108.1170-59.4-179.2-175.5-1760.2107.6Y1328R1320-Y1328 PolarHBondContact N-O 3.4Å; R1320-Y1328 PolarHBondContact O-N 3.34Å
1321S72.1Confident81.6Confident37 Ų3728.3 Ų28.326%0.25914%0.139SC..EExtended strand (participates in β ladder)trans-97.2150.1167.965.50000110.6Y1170Y1170-S1321 VanDerWaalsContact OH-CB 3.29Å; Y1170-S1321 WeakPolarHBondContact OH-CB 3.48Å; Y1170-S1321 PolarHBondContact OH-N 2.97Å; Y1170-S1321 PolarHBondContact OH-OG 3.1Å
1322V66.7Low81.1Confident34 Ų3428.6 Ų28.621%0.20614%0.141CC..EExtended strand (participates in β ladder)trans-132.8116.4175-177.80000108.8V385 A422 R1166 R1324 H1325V385-V1322 HydrophobicContact CG1-CG1 4.46Å; V385-V1322 HydrophobicContact CG2-CB 4.16Å; V385-V1322 HydrophobicContact CG2-CG1 4.35Å; A422-V1322 HydrophobicContact CB-CG1 3.59Å; R1166-V1322 PolarHBondContact NH2-O 2.62Å; V1322-R1324 PolarHBondContact O-N 3.5Å; V1322-H1325 WeakPolarHBondContact O-CB 3.3Å; V1322-H1325 PolarHBondContact O-CD2 2.68Å; V1322-H1325 PolarHBondContact O-N 2.86Å
1323G66.6Low80.6Confident12 Ų1229.1 Ų29.112%0.12414%0.144CC..THydrogen-bonded Turntrans49.8-106.4-177.800000113.4F421 A422 R1166F421-G1323 CarbonylContact O-C 3.43Å; F421-G1323 WeakPolarHBondContact O-CA 3.17Å; A422-G1323 WeakPolarHBondContact O-CA 3.19Å; A422-G1323 PolarHBondContact O-N 3.17Å; R1166-G1323 VanDerWaalsContact CZ-O 3.24Å; R1166-G1323 PolarHBondContact NH2-O 3.49Å
1324R66.6Low80.3Confident29 Ų2928.9 Ų28.911%0.10914%0.141CC..THydrogen-bonded Turntrans-1129.8176.3-67.3-179.9114.8144.31.8115.5F421 F631 E1019 R1166 V1322F421-R1324 HydrophobicContact CD1-CB 4.42Å; F421-R1324 PolarHBondContact O-N 3.05Å; F631-R1324 HydrophobicContact CE1-CG 4.46Å; F631-R1324 VanDerWaalsContact CZ-NH1 3.29Å; E1019-R1324 VanDerWaalsContact CD-NH2 3.27Å; E1019-R1324 IonicContact OE1-CZ 3.9Å; E1019-R1324 IonicContact OE1-NE 3.06Å; E1019-R1324 PolarHBondContact OE1-NE 2.74Å; E1019-R1324 IonicContact OE1-NH2 3.78Å; E1019-R1324 PolarHBondContact OE1-NH2 3.05Å; R1166-R1324 VanDerWaalsContact CZ-C 3.5Å; R1166-R1324 PolarHBondContact NH1-O 2.8Å; V1322-R1324 PolarHBondContact O-N 3.5Å
1325H70.3Confident80Confident4 Ų427.6 Ų27.62%0.01913%0.132CC..EExtended strand (participates in β ladder)trans-85.6135.5173.6-58.5-73.2000113.7G383 V385 R1166 V1322G383-H1325 VanDerWaalsContact CA-ND1 3.26Å; G383-H1325 WeakPolarHBondContact CA-ND1 3.32Å; G383-H1325 VanDerWaalsContact O-CB 3.31Å; G383-H1325 WeakPolarHBondContact O-CB 3.3Å; G383-H1325 PolarHBondContact O-ND1 2.79Å; G383-H1325 VanDerWaalsContact O-ND1 3.14Å; V385-H1325 HydrophobicContact CG2-CB 3.7Å; V385-H1325 WeakPolarHBondContact CG2-CD2 3.18Å; V385-H1325 VanDerWaalsContact CG2-CG 3.43Å; R1166-H1325 PolarHBondContact NH1-O 3.16Å; R1166-H1325 VanDerWaalsContact NH2-N 3.19Å; R1166-H1325 PolarHBondContact NH2-O 3.46Å; V1322-H1325 WeakPolarHBondContact O-CB 3.3Å; V1322-H1325 PolarHBondContact O-CD2 2.68Å; V1322-H1325 PolarHBondContact O-N 2.86Å
1326E73.3Confident79.3Confident37 Ų3727.3 Ų27.317%0.17313%0.128CC..EExtended strand (participates in β ladder)trans-46.6146.3-174.6-72.4-77.9-13600114.6G942 Y1328G942-E1326 WeakPolarHBondContact CA-OE1 3.26Å; G942-E1326 PolarHBondContact N-OE1 3.45Å; E1326-Y1328 PolarHBondContact O-N 3.17Å
1327P77.2Confident78.6Confident9 Ų927.6 Ų27.66%0.05813%0.131CC..EExtended strand (participates in β ladder)trans-71.7130.9-174.931.9-34.5000110.9R1166 I1169 P1319R1166-P1327 HydrophobicContact CB-CG 4.47Å; R1166-P1327 HydrophobicContact CG-CG 4.36Å; I1169-P1327 HydrophobicContact CD1-CB 4.44Å; I1169-P1327 HydrophobicContact CD1-CG 4.04Å; I1169-P1327 HydrophobicContact CG2-CB 4.02Å; I1169-P1327 HydrophobicContact CG2-CG 4Å; P1319-P1327 HydrophobicContact CB-CB 3.93Å
1328Y77.8Confident77.9Confident96 Ų9628.4 Ų28.438%0.37614%0.139SC..EExtended strand (participates in β ladder)trans-117.7135.3178.1172.2-90.4000111.3R1320 E1326 F1332 N1333R1320-Y1328 PolarHBondContact N-O 3.4Å; R1320-Y1328 PolarHBondContact O-N 3.34Å; E1326-Y1328 PolarHBondContact O-N 3.17Å; Y1328-F1332 HydrophobicContact CD2-CD1 4.2Å; Y1328-F1332 HydrophobicContact CE2-CD1 4.12Å; Y1328-N1333 PolarHBondContact OH-ND2 3.12Å; Y1328-N1333 PolarHBondContact OH-OD1 3.3Å
1329T82.5Confident77.7Confident3 Ų325.7 Ų25.72%0.01813%0.127CC..  trans-125.9148.7166.2173.20000109.8F1193 L1331 F1332 Y1407F1193-T1329 HydrophobicContact CE1-CG2 3.95Å; F1193-T1329 HydrophobicContact CZ-CG2 3.51Å; T1329-L1331 HydrophobicContact CG2-CB 4.21Å; T1329-L1331 PolarHBondContact O-N 2.62Å; T1329-L1331 VanDerWaalsContact O-N 3.14Å; T1329-L1331 PolarHBondContact OG1-N 3.03Å; T1329-F1332 WeakPolarHBondContact O-CB 3.42Å; T1329-F1332 PolarHBondContact O-N 3.18Å; T1329-Y1407 HydrophobicContact CG2-CE1 4.43Å; T1329-Y1407 HydrophobicContact CG2-CE2 4.03Å
1330S80.7Confident77.8Confident16 Ų1625.9 Ų25.911%0.11213%0.128CC..THydrogen-bonded Turntrans-53.7-27.5171.737.60000113.9N1290 F1332 N1333N1290-S1330 WeakPolarHBondContact CB-OG 3.47Å; N1290-S1330 VanDerWaalsContact ND2-CB 3.28Å; N1290-S1330 WeakPolarHBondContact ND2-CB 3.47Å; N1290-S1330 PolarHBondContact ND2-OG 2.86Å; S1330-F1332 PolarHBondContact O-N 2.85Å; S1330-N1333 WeakPolarHBondContact O-CB 3.32Å; S1330-N1333 PolarHBondContact O-N 3.21Å; S1330-N1333 VanDerWaalsContact O-N 3.08Å
1331L87.1Confident78.4Confident0 Ų017.2 Ų17.20%010%0.095CC..Hα-helixtrans-65.8-19.4177.5-53.4-166000112.2I1311 S1316 G1317 T1329 N1333 H1334 L1335 V1342 Y1407I1311-L1331 HydrophobicContact CB-CD2 3.96Å; I1311-L1331 HydrophobicContact CG1-CD2 4.01Å; I1311-L1331 HydrophobicContact CG2-CD2 4.15Å; S1316-L1331 WeakPolarHBondContact O-CG 3.42Å; G1317-L1331 VanDerWaalsContact CA-CD1 3.42Å; T1329-L1331 HydrophobicContact CG2-CB 4.21Å; T1329-L1331 PolarHBondContact O-N 2.62Å; T1329-L1331 VanDerWaalsContact O-N 3.14Å; T1329-L1331 PolarHBondContact OG1-N 3.03Å; L1331-N1333 VanDerWaalsContact C-N 3.31Å; L1331-N1333 PolarHBondContact O-N 3.26Å; L1331-H1334 PolarHBondContact O-N 3.2Å; L1331-L1335 PolarHBondContact O-N 3.03Å; L1331-V1342 HydrophobicContact CB-CB 4.21Å; L1331-V1342 HydrophobicContact CB-CG1 3.81Å; L1331-V1342 HydrophobicContact CD1-CG1 4Å; L1331-V1342 HydrophobicContact CD2-CG1 3.73Å; L1331-V1342 HydrophobicContact CG-CG1 4.02Å; L1331-Y1407 HydrophobicContact CB-CD2 4.11Å; L1331-Y1407 HydrophobicContact CD1-CD2 3.83Å; L1331-Y1407 HydrophobicContact CD1-CE2 4.15Å
1332F83.2Confident79.4Confident6 Ų615.4 Ų15.43%0.0268%0.083CC..Hα-helixtrans-66.4-30.1172.4-176.5-131.6000112.6P945 F948 F1193 L1197 Y1328 T1329 S1330 L1335 I1336P945-F1332 HydrophobicContact CB-CE1 3.81Å; P945-F1332 HydrophobicContact CB-CE2 4.14Å; P945-F1332 HydrophobicContact CB-CZ 3.59Å; P945-F1332 WeakPolarHBondContact O-CZ 3.08Å; F948-F1332 HydrophobicContact CB-CE1 4.38Å; F1193-F1332 AromaticContact CD2-CD2 3.66Å; F1193-F1332 HydrophobicContact CD2-CD2 3.66Å; F1193-F1332 HydrophobicContact CD2-CE2 4.21Å; F1193-F1332 HydrophobicContact CD2-CG 4.28Å; F1193-F1332 HydrophobicContact CE2-CB 3.91Å; F1193-F1332 AromaticContact CE2-CD2 3.71Å; F1193-F1332 HydrophobicContact CE2-CD2 3.71Å; F1193-F1332 HydrophobicContact CE2-CG 4.08Å; F1193-F1332 HydrophobicContact CZ-CB 4.14Å; L1197-F1332 HydrophobicContact CD1-CE2 3.65Å; L1197-F1332 HydrophobicContact CD1-CZ 4.11Å; L1197-F1332 HydrophobicContact CD2-CE2 4Å; L1197-F1332 HydrophobicContact CD2-CZ 4.35Å; Y1328-F1332 HydrophobicContact CD2-CD1 4.2Å; Y1328-F1332 HydrophobicContact CE2-CD1 4.12Å; T1329-F1332 WeakPolarHBondContact O-CB 3.42Å; T1329-F1332 PolarHBondContact O-N 3.18Å; S1330-F1332 PolarHBondContact O-N 2.85Å; F1332-L1335 HydrophobicContact CD2-CB 4.49Å; F1332-L1335 PolarHBondContact O-N 3.46Å; F1332-I1336 HydrophobicContact CD1-CD1 3.66Å; F1332-I1336 HydrophobicContact CD2-CD1 4.34Å; F1332-I1336 HydrophobicContact CD2-CG1 4.39Å; F1332-I1336 HydrophobicContact CE1-CD1 3.36Å; F1332-I1336 HydrophobicContact CE1-CG1 4.13Å; F1332-I1336 HydrophobicContact CE2-CD1 4.07Å; F1332-I1336 HydrophobicContact CE2-CG1 3.95Å; F1332-I1336 HydrophobicContact CG-CD1 4.13Å; F1332-I1336 HydrophobicContact CZ-CD1 3.55Å; F1332-I1336 HydrophobicContact CZ-CG1 3.78Å; F1332-I1336 WeakPolarHBondContact O-CG1 3.32Å; F1332-I1336 PolarHBondContact O-N 3.28Å
1333N82.4Confident80.8Confident21 Ų2113.8 Ų13.811%0.1127%0.073CC..Hα-helixtrans-68-36.7177.2-68.310.1000112.4F1299 Y1328 S1330 L1331 I1336 A1337F1299-N1333 HydrophobicContact CB-CB 4.4Å; F1299-N1333 HydrophobicContact CD1-CB 3.85Å; F1299-N1333 HydrophobicContact CD2-CB 3.47Å; F1299-N1333 VanDerWaalsContact CD2-CB 3.47Å; F1299-N1333 WeakPolarHBondContact CD2-ND2 3.28Å; F1299-N1333 HydrophobicContact CE1-CB 3.92Å; F1299-N1333 HydrophobicContact CE2-CB 3.59Å; F1299-N1333 HydrophobicContact CG-CB 3.65Å; F1299-N1333 HydrophobicContact CZ-CB 3.82Å; Y1328-N1333 PolarHBondContact OH-ND2 3.12Å; Y1328-N1333 PolarHBondContact OH-OD1 3.3Å; S1330-N1333 WeakPolarHBondContact O-CB 3.32Å; S1330-N1333 PolarHBondContact O-N 3.21Å; S1330-N1333 VanDerWaalsContact O-N 3.08Å; L1331-N1333 VanDerWaalsContact C-N 3.31Å; L1331-N1333 PolarHBondContact O-N 3.26Å; N1333-I1336 PolarHBondContact O-N 3.24Å; N1333-A1337 WeakPolarHBondContact O-CB 3.45Å; N1333-A1337 PolarHBondContact O-N 3.21Å
1334H85.7Confident82.1Confident1 Ų113.2 Ų13.21%0.0057%0.067CC..Hα-helixtrans-61.7-44.7172.6-71.9-99.3000111F1277 F1299 L1331 A1337 G1338 C1339 V1342F1277-H1334 AromaticContact CE2-ND1 3.82Å; F1299-H1334 AromaticContact CZ-CD2 3.51Å; F1299-H1334 AromaticContact CZ-CE1 3.92Å; F1299-H1334 AromaticContact CZ-CG 3.78Å; F1299-H1334 AromaticContact CZ-NE2 3.62Å; L1331-H1334 PolarHBondContact O-N 3.2Å; H1334-A1337 PolarHBondContact O-N 3.24Å; H1334-G1338 PolarHBondContact O-N 3.19Å; H1334-C1339 HydrophobicContact CB-CB 4.13Å; H1334-C1339 VanDerWaalsContact O-CB 3.27Å; H1334-C1339 WeakPolarHBondContact O-CB 3.4Å; H1334-C1339 PolarHBondContact O-N 3.18Å; H1334-C1339 PolarHBondContact O-SG 3.21Å; H1334-V1342 HydrophobicContact CB-CB 4.45Å; H1334-V1342 HydrophobicContact CB-CG1 4.11Å; H1334-V1342 HydrophobicContact CB-CG2 3.44Å; H1334-V1342 VanDerWaalsContact CB-CG2 3.44Å
1335L83.7Confident83.5Confident1 Ų111.9 Ų11.91%0.0056%0.062CC..Hα-helixtrans-62.5-44.2174.8-71.3-171.1000112.3F1193 H1201 L1331 F1332 A1337 G1338 C1339 V1342F1193-L1335 HydrophobicContact CE2-CD1 4.17Å; H1201-L1335 PolarHBondContact NE2-O 2.72Å; L1331-L1335 PolarHBondContact O-N 3.03Å; F1332-L1335 HydrophobicContact CD2-CB 4.49Å; F1332-L1335 PolarHBondContact O-N 3.46Å; L1335-A1337 VanDerWaalsContact C-N 3.26Å; L1335-A1337 PolarHBondContact O-N 3.46Å; L1335-G1338 PolarHBondContact O-N 3.24Å; L1335-G1338 VanDerWaalsContact O-N 3.12Å; L1335-C1339 WeakPolarHBondContact CD2-O 3.39Å; L1335-V1342 HydrophobicContact CD2-CG2 3.76Å; L1335-V1342 HydrophobicContact CG-CG2 3.99Å
1336I74.8Confident84.6Confident25 Ų2512 Ų1213%0.1286%0.063CC..Hα-helixtrans-55.8-43.4174.3-81.7159.4000111.2F948 H949 S952 F1332 N1333 G1338F948-I1336 HydrophobicContact CD1-CD1 3.52Å; F948-I1336 HydrophobicContact CE1-CD1 3.8Å; H949-I1336 HydrophobicContact CB-CG1 4.48Å; S952-I1336 WeakPolarHBondContact OG-CG2 3.46Å; F1332-I1336 HydrophobicContact CD1-CD1 3.66Å; F1332-I1336 HydrophobicContact CD2-CD1 4.34Å; F1332-I1336 HydrophobicContact CD2-CG1 4.39Å; F1332-I1336 HydrophobicContact CE1-CD1 3.36Å; F1332-I1336 HydrophobicContact CE1-CG1 4.13Å; F1332-I1336 HydrophobicContact CE2-CD1 4.07Å; F1332-I1336 HydrophobicContact CE2-CG1 3.95Å; F1332-I1336 HydrophobicContact CG-CD1 4.13Å; F1332-I1336 HydrophobicContact CZ-CD1 3.55Å; F1332-I1336 HydrophobicContact CZ-CG1 3.78Å; F1332-I1336 WeakPolarHBondContact O-CG1 3.32Å; F1332-I1336 PolarHBondContact O-N 3.28Å; N1333-I1336 PolarHBondContact O-N 3.24Å; I1336-G1338 PolarHBondContact O-N 2.76Å
1337A76.6Confident85.5Confident8 Ų810.3 Ų10.37%0.0666%0.055CC..Hα-helixtrans-71.4-12.1-179.600000114.1F1277 F1299 S1304 A1305 N1333 H1334 L1335F1277-A1337 HydrophobicContact CE1-CB 3.81Å; F1277-A1337 HydrophobicContact CZ-CB 3.53Å; F1299-A1337 HydrophobicContact CD1-CB 4.39Å; S1304-A1337 CarbonylContact C-O 3.53Å; S1304-A1337 VanDerWaalsContact CA-O 3.24Å; S1304-A1337 WeakPolarHBondContact CA-O 3.48Å; A1305-A1337 HydrophobicContact CB-CB 4.45Å; A1305-A1337 PolarHBondContact N-O 3.2Å; N1333-A1337 WeakPolarHBondContact O-CB 3.45Å; N1333-A1337 PolarHBondContact O-N 3.21Å; H1334-A1337 PolarHBondContact O-N 3.24Å; L1335-A1337 VanDerWaalsContact C-N 3.26Å; L1335-A1337 PolarHBondContact O-N 3.46Å
1338G76.9Confident86.2Confident17 Ų1711.7 Ų11.718%0.1756%0.062CC..THydrogen-bonded Turntrans111.83.5176.300000116.2A1305 H1334 L1335 I1336 P1340A1305-G1338 CarbonylContact O-C 3.58Å; A1305-G1338 WeakPolarHBondContact O-CA 3.27Å; H1334-G1338 PolarHBondContact O-N 3.19Å; L1335-G1338 PolarHBondContact O-N 3.24Å; L1335-G1338 VanDerWaalsContact O-N 3.12Å; I1336-G1338 PolarHBondContact O-N 2.76Å; G1338-P1340 WeakPolarHBondContact O-CD 3.4Å
1339C85.1Confident86.9Confident0 Ų07.5 Ų7.50%05%0.046CC..  trans-55.6126.1172.3-69.20000110.4A1305 S1307 H1334 L1335 F1341 V1342A1305-C1339 VanDerWaalsContact CB-SG 3.55Å; S1307-C1339 WeakPolarHBondContact O-CB 3.47Å; S1307-C1339 PolarHBondContact O-SG 2.93Å; H1334-C1339 HydrophobicContact CB-CB 4.13Å; H1334-C1339 VanDerWaalsContact O-CB 3.27Å; H1334-C1339 WeakPolarHBondContact O-CB 3.4Å; H1334-C1339 PolarHBondContact O-N 3.18Å; H1334-C1339 PolarHBondContact O-SG 3.21Å; L1335-C1339 WeakPolarHBondContact CD2-O 3.39Å; C1339-F1341 VanDerWaalsContact C-N 3.34Å; C1339-F1341 PolarHBondContact O-N 3.17Å; C1339-V1342 HydrophobicContact CB-CG2 4.08Å
1340P85.7Confident87.2Confident5 Ų58.2 Ų8.23%0.0325%0.051CC..SBendtrans-60.9-43.5-179.2-22.432.1000112V1308 G1338 I1409V1308-P1340 HydrophobicContact CG2-CB 4.32Å; V1308-P1340 HydrophobicContact CG2-CG 4.18Å; G1338-P1340 WeakPolarHBondContact O-CD 3.4Å; P1340-I1409 WeakPolarHBondContact O-CG1 3.21Å; P1340-I1409 PolarHBondContact O-N 3.13Å
1341F91.1Very high87.3Confident0 Ų010.7 Ų10.70%06%0.063CC..EExtended strand (participates in β ladder)trans-146.7167165.176.3-105.6000113.3V1308 A1309 L1310 C1339 C1343 W1365 L1383 V1406 Y1407 S1411V1308-F1341 HydrophobicContact CB-CE1 4.46Å; V1308-F1341 HydrophobicContact CG1-CD1 3.92Å; V1308-F1341 HydrophobicContact CG1-CD2 3.9Å; V1308-F1341 HydrophobicContact CG1-CE1 3.48Å; V1308-F1341 VanDerWaalsContact CG1-CE1 3.48Å; V1308-F1341 HydrophobicContact CG1-CE2 3.5Å; V1308-F1341 HydrophobicContact CG1-CG 4.13Å; V1308-F1341 HydrophobicContact CG1-CZ 3.29Å; V1308-F1341 HydrophobicContact CG2-CD1 4.17Å; V1308-F1341 HydrophobicContact CG2-CE1 4.09Å; A1309-F1341 PolarHBondContact N-O 3.28Å; L1310-F1341 HydrophobicContact CD2-CE2 4.1Å; C1339-F1341 VanDerWaalsContact C-N 3.34Å; C1339-F1341 PolarHBondContact O-N 3.17Å; F1341-C1343 HydrophobicContact CE2-CB 4.34Å; F1341-W1365 HydrophobicContact CE1-CH2 4.2Å; F1341-W1365 HydrophobicContact CE1-CZ2 4.12Å; F1341-W1365 HydrophobicContact CE2-CH2 4.48Å; F1341-W1365 AromaticContact CZ-CH2 3.52Å; F1341-W1365 HydrophobicContact CZ-CH2 3.52Å; F1341-W1365 AromaticContact CZ-CZ2 3.71Å; F1341-W1365 HydrophobicContact CZ-CZ2 3.71Å; F1341-W1365 HydrophobicContact CZ-CZ3 4.5Å; F1341-L1383 HydrophobicContact CD1-CD2 4.21Å; F1341-L1383 HydrophobicContact CE1-CD2 3.62Å; F1341-L1383 HydrophobicContact CE2-CD1 4.45Å; F1341-L1383 HydrophobicContact CE2-CD2 4.2Å; F1341-L1383 HydrophobicContact CZ-CD1 3.93Å; F1341-L1383 HydrophobicContact CZ-CD2 3.58Å; F1341-L1383 HydrophobicContact CZ-CG 4.43Å; F1341-V1406 HydrophobicContact CB-CG1 3.72Å; F1341-V1406 HydrophobicContact CD2-CG1 3.33Å; F1341-V1406 HydrophobicContact CE2-CG1 3.97Å; F1341-V1406 HydrophobicContact CG-CG1 3.66Å; F1341-Y1407 CarbonylContact C-O 3.55Å; F1341-Y1407 WeakPolarHBondContact CA-O 3.25Å; F1341-Y1407 VanDerWaalsContact CB-O 3.25Å; F1341-Y1407 WeakPolarHBondContact CB-O 3.42Å; F1341-S1411 WeakPolarHBondContact CE1-O 3.39Å
1342V93.6Very high87.5Confident0 Ų018.7 Ų18.70%09%0.093CC..EExtended strand (participates in β ladder)trans-137.3107.6-177.3-161.80000109.3A1309 I1311 L1331 H1334 L1335 C1339 Y1407A1309-V1342 HydrophobicContact CB-CG1 4.04Å; A1309-V1342 CarbonylContact O-C 3.59Å; A1309-V1342 VanDerWaalsContact O-CA 3.3Å; A1309-V1342 WeakPolarHBondContact O-CA 3.49Å; I1311-V1342 HydrophobicContact CG1-CG1 4.01Å; L1331-V1342 HydrophobicContact CB-CB 4.21Å; L1331-V1342 HydrophobicContact CB-CG1 3.81Å; L1331-V1342 HydrophobicContact CD1-CG1 4Å; L1331-V1342 HydrophobicContact CD2-CG1 3.73Å; L1331-V1342 HydrophobicContact CG-CG1 4.02Å; H1334-V1342 HydrophobicContact CB-CB 4.45Å; H1334-V1342 HydrophobicContact CB-CG1 4.11Å; H1334-V1342 HydrophobicContact CB-CG2 3.44Å; H1334-V1342 VanDerWaalsContact CB-CG2 3.44Å; L1335-V1342 HydrophobicContact CD2-CG2 3.76Å; L1335-V1342 HydrophobicContact CG-CG2 3.99Å; C1339-V1342 HydrophobicContact CB-CG2 4.08Å; V1342-Y1407 PolarHBondContact N-O 3.49Å; V1342-Y1407 PolarHBondContact O-N 3.42Å
1343C95.4Very high87.9Confident0 Ų018.5 Ų18.50%09%0.092CC..EExtended strand (participates in β ladder)trans-82.4142.8173.6-171.70000110.7A1309 L1310 I1311 F1341 I1405 V1406A1309-C1343 PolarHBondContact O-N 2.84Å; L1310-C1343 HydrophobicContact CD2-CB 3.5Å; L1310-C1343 VanDerWaalsContact CD2-CB 3.5Å; I1311-C1343 PolarHBondContact N-O 3.39Å; F1341-C1343 HydrophobicContact CE2-CB 4.34Å; C1343-I1405 WeakPolarHBondContact CA-O 3.43Å; C1343-V1406 HydrophobicContact CB-CG2 4.15Å
1344G95Very high88.4Confident0 Ų018.3 Ų18.30%09%0.092CC..EExtended strand (participates in β ladder)trans-167-171.817500000112.9I1311 I1405I1311-G1344 WeakPolarHBondContact O-CA 3.33Å; G1344-I1405 PolarHBondContact N-O 2.88Å; G1344-I1405 WeakPolarHBondContact O-CG1 3.48Å; G1344-I1405 PolarHBondContact O-N 3.45Å
1345L95.6Very high88.9Confident1 Ų118.7 Ų18.71%0.0059%0.094CC..EExtended strand (participates in β ladder)trans-116.1132.6-172.5-47.5-176.2000111.7L1312 G1313 S1315 S1316 G1317 K1318 W1347 V1349 V1354 S1403 V1404L1312-L1345 HydrophobicContact CD2-CD2 4.23Å; G1313-L1345 WeakPolarHBondContact O-CD1 3.38Å; S1315-L1345 CarbonylContact C-O 3.53Å; S1315-L1345 VanDerWaalsContact C-O 3.27Å; S1315-L1345 WeakPolarHBondContact CA-O 3.23Å; S1316-L1345 PolarHBondContact N-O 2.88Å; S1316-L1345 PolarHBondContact OG-N 3.2Å; G1317-L1345 CarbonylContact C-O 3.6Å; G1317-L1345 WeakPolarHBondContact CA-O 3.12Å; G1317-L1345 PolarHBondContact N-O 3.39Å; K1318-L1345 PolarHBondContact N-O 2.95Å; L1345-W1347 VanDerWaalsContact C-N 3.34Å; L1345-W1347 PolarHBondContact O-N 2.91Å; L1345-V1349 HydrophobicContact CD1-CB 4.43Å; L1345-V1349 HydrophobicContact CD1-CG1 4.06Å; L1345-V1349 HydrophobicContact CD1-CG2 3.48Å; L1345-V1349 VanDerWaalsContact CD1-CG2 3.48Å; L1345-V1354 HydrophobicContact CD1-CG2 4.14Å; L1345-S1403 CarbonylContact C-O 3.54Å; L1345-S1403 WeakPolarHBondContact CA-O 3.34Å; L1345-V1404 HydrophobicContact CD2-CB 4.39Å; L1345-V1404 HydrophobicContact CD2-CG2 3.7Å
1346L93.4Very high89.4Confident5 Ų523 Ų233%0.02611%0.11CC..SBendtrans-70.6-22.6179.7-85.8175000114.7P1172 K1318 S1403 I1405P1172-L1346 HydrophobicContact CB-CD1 4.11Å; K1318-L1346 VanDerWaalsContact CB-O 3.26Å; K1318-L1346 WeakPolarHBondContact CB-O 3.5Å; K1318-L1346 VanDerWaalsContact CD-O 3.29Å; K1318-L1346 WeakPolarHBondContact CD-O 3.2Å; K1318-L1346 WeakPolarHBondContact CG-O 3.47Å; L1346-S1403 PolarHBondContact N-O 3.31Å; L1346-I1405 HydrophobicContact CD1-CG2 3.65Å; L1346-I1405 HydrophobicContact CD2-CD1 3.59Å; L1346-I1405 HydrophobicContact CD2-CG1 4.46Å; L1346-I1405 HydrophobicContact CG-CD1 3.64Å; L1346-I1405 HydrophobicContact CG-CG1 3.96Å; L1346-I1405 HydrophobicContact CG-CG2 3.75Å
1347W93.2Very high90.4Very high3 Ų321.8 Ų21.81%0.01110%0.104CC..SBendtrans-155.1-173.8-176.157.276.1000111.3F1089 L1119 P1172 S1315 L1345 L1399 K1402 S1403F1089-W1347 HydrophobicContact CE2-CZ3 4.4Å; F1089-W1347 HydrophobicContact CZ-CE3 4.3Å; F1089-W1347 AromaticContact CZ-CZ3 3.87Å; F1089-W1347 HydrophobicContact CZ-CZ3 3.87Å; L1119-W1347 HydrophobicContact CD2-CH2 4.48Å; L1119-W1347 HydrophobicContact CD2-CZ2 4.08Å; P1172-W1347 HydrophobicContact CB-CH2 4.2Å; P1172-W1347 HydrophobicContact CB-CZ3 4.38Å; P1172-W1347 HydrophobicContact CG-CH2 4.21Å; P1172-W1347 HydrophobicContact CG-CZ3 4.4Å; S1315-W1347 PolarHBondContact N-O 3.34Å; S1315-W1347 WeakPolarHBondContact OG-CA 3.48Å; L1345-W1347 VanDerWaalsContact C-N 3.34Å; L1345-W1347 PolarHBondContact O-N 2.91Å; W1347-L1399 PolarHBondContact NE1-O 3.26Å; W1347-K1402 WeakPolarHBondContact CH2-O 3.19Å; W1347-S1403 VanDerWaalsContact CE2-CB 3.44Å; W1347-S1403 VanDerWaalsContact CZ2-CA 3.49Å
1348D91.4Very high91.2Very high37 Ų3721.6 Ų21.620%0.19810%0.102CC..  trans-86129.9-174.1-58.2-32.2000112.2L1097 M1100 C1314 S1315L1097-D1348 HydrophobicContact CD2-CB 4.31Å; L1097-D1348 WeakPolarHBondContact CD2-OD2 3.34Å; M1100-D1348 HydrophobicContact CE-CB 3.67Å; M1100-D1348 HydrophobicContact SD-CB 4.03Å; C1314-D1348 HydrophobicContact CB-CB 4.17Å; C1314-D1348 WeakPolarHBondContact CB-OD1 3.47Å; S1315-D1348 VanDerWaalsContact CB-OD1 3.26Å; S1315-D1348 WeakPolarHBondContact CB-OD1 3.3Å; S1315-D1348 PolarHBondContact N-OD1 3.18Å; S1315-D1348 PolarHBondContact OG-OD1 3.36Å
1349V91.7Very high92.1Very high8 Ų822.4 Ų22.45%0.04810%0.102CC..  trans-116.3-178-173.3-62.60000111.1L1345 V1354 V1400 S1403L1345-V1349 HydrophobicContact CD1-CB 4.43Å; L1345-V1349 HydrophobicContact CD1-CG1 4.06Å; L1345-V1349 HydrophobicContact CD1-CG2 3.48Å; L1345-V1349 VanDerWaalsContact CD1-CG2 3.48Å; V1349-V1354 HydrophobicContact CG2-CB 3.89Å; V1349-V1354 HydrophobicContact CG2-CG1 3.75Å; V1349-V1354 HydrophobicContact CG2-CG2 4.29Å; V1349-V1400 HydrophobicContact CB-CG1 4.17Å; V1349-V1400 HydrophobicContact CB-CG2 4.13Å; V1349-V1400 HydrophobicContact CG1-CB 4.45Å; V1349-V1400 HydrophobicContact CG1-CG1 4.16Å; V1349-V1400 HydrophobicContact CG1-CG2 4.31Å; V1349-S1403 WeakPolarHBondContact CG1-OG 3.22Å
1350T88.4Confident92.4Very high18 Ų1825.9 Ų25.911%0.1112%0.117CC..  trans-112.9123.8178.462.50000110.4Y1108 R1352 D1353 V1354Y1108-T1350 WeakPolarHBondContact OH-CG2 3.34Å; T1350-R1352 PolarHBondContact O-N 3.14Å; T1350-D1353 PolarHBondContact O-N 3.29Å; T1350-D1353 WeakPolarHBondContact OG1-CB 3.41Å; T1350-V1354 PolarHBondContact O-N 3.47Å; T1350-V1354 VanDerWaalsContact O-N 3.14Å
1351D84.2Confident92.8Very high69 Ų6925.7 Ų25.737%0.36912%0.116SC..Hα-helixtrans-44.3-58-168.3-23.3-29.9000112D1353 V1354 D1355D1351-D1353 PolarHBondContact O-N 3.2Å; D1351-V1354 VanDerWaalsContact O-CG1 3.26Å; D1351-V1354 WeakPolarHBondContact O-CG1 3.38Å; D1351-V1354 PolarHBondContact O-N 3.31Å; D1351-V1354 VanDerWaalsContact O-N 3.14Å; D1351-D1355 WeakPolarHBondContact O-CB 3.47Å; D1351-D1355 PolarHBondContact O-N 3Å
1352R89.5Confident92.9Very high168 Ų16825.8 Ų25.863%0.63412%0.116SC*.Hα-helixtrans-65.3-8.4-175.7-66-173.4-177.5-177.34.5115.8S1245 T1350 D1355 R1356S1245-R1352 WeakPolarHBondContact OG-CG 3.3Å; T1350-R1352 PolarHBondContact O-N 3.14Å; R1352-D1355 WeakPolarHBondContact CA-OD2 3.27Å; R1352-R1356 PolarHBondContact O-NH1 3.33Å; R1352-R1356 PolarHBondContact O-NH2 2.89Å
1353D92.1Very high92.8Very high1 Ų127 Ų271%0.00512%0.124CC..Hα-helixtrans-105.4-32.9176.2-144.741.7000111.3T1350 D1351 R1356 F1357 C1394 K1395 L1396 V1400T1350-D1353 PolarHBondContact O-N 3.29Å; T1350-D1353 WeakPolarHBondContact OG1-CB 3.41Å; D1351-D1353 PolarHBondContact O-N 3.2Å; D1353-R1356 PolarHBondContact O-N 3.48Å; D1353-R1356 IonicContact OD1-CZ 3Å; D1353-R1356 IonicContact OD1-NE 3.53Å; D1353-R1356 PolarHBondContact OD1-NE 3.47Å; D1353-R1356 IonicContact OD1-NH2 3.31Å; D1353-R1356 PolarHBondContact OD1-NH2 3.25Å; D1353-F1357 PolarHBondContact O-N 3.09Å; D1353-C1394 WeakPolarHBondContact OD1-CA 3.37Å; D1353-K1395 VanDerWaalsContact CG-N 3.28Å; D1353-K1395 PolarHBondContact OD1-N 2.86Å; D1353-K1395 PolarHBondContact OD2-N 3.42Å; D1353-L1396 PolarHBondContact OD2-N 2.96Å; D1353-V1400 HydrophobicContact CB-CG1 4.27Å; D1353-V1400 HydrophobicContact CB-CG2 4.33Å
1354V93.8Very high92.5Very high17 Ų1728.2 Ų28.210%0.10313%0.13CC..Hα-helixtrans-74.7-27.9167.667.80000112.3L1345 V1349 T1350 D1351 R1356 F1357 T1358 V1400L1345-V1354 HydrophobicContact CD1-CG2 4.14Å; V1349-V1354 HydrophobicContact CG2-CB 3.89Å; V1349-V1354 HydrophobicContact CG2-CG1 3.75Å; V1349-V1354 HydrophobicContact CG2-CG2 4.29Å; T1350-V1354 PolarHBondContact O-N 3.47Å; T1350-V1354 VanDerWaalsContact O-N 3.14Å; D1351-V1354 VanDerWaalsContact O-CG1 3.26Å; D1351-V1354 WeakPolarHBondContact O-CG1 3.38Å; D1351-V1354 PolarHBondContact O-N 3.31Å; D1351-V1354 VanDerWaalsContact O-N 3.14Å; V1354-R1356 VanDerWaalsContact C-N 3.31Å; V1354-R1356 PolarHBondContact O-N 3.17Å; V1354-F1357 PolarHBondContact O-N 3.48Å; V1354-T1358 VanDerWaalsContact O-CB 3.23Å; V1354-T1358 WeakPolarHBondContact O-CB 3.19Å; V1354-T1358 PolarHBondContact O-N 2.68Å; V1354-T1358 PolarHBondContact O-OG1 3.04Å; V1354-V1400 HydrophobicContact CB-CG1 4.2Å
1355D94.7Very high92.3Very high10 Ų1028.2 Ų28.25%0.05313%0.13CC..Hα-helixtrans-55.4-47.2166-72.3-23.2000109.9T1246 F1250 D1351 R1352 L1359T1246-D1355 WeakPolarHBondContact CA-OD1 3.5Å; T1246-D1355 VanDerWaalsContact CB-OD1 3.31Å; T1246-D1355 WeakPolarHBondContact CB-OD1 3.42Å; T1246-D1355 WeakPolarHBondContact CG2-OD1 3.41Å; T1246-D1355 PolarHBondContact OG1-OD1 3.39Å; F1250-D1355 HydrophobicContact CE2-CB 4.24Å; F1250-D1355 WeakPolarHBondContact CZ-O 3.37Å; D1351-D1355 WeakPolarHBondContact O-CB 3.47Å; D1351-D1355 PolarHBondContact O-N 3Å; R1352-D1355 WeakPolarHBondContact CA-OD2 3.27Å; D1355-L1359 VanDerWaalsContact O-CB 3.28Å; D1355-L1359 WeakPolarHBondContact O-CB 3.49Å; D1355-L1359 PolarHBondContact O-N 3.09Å
1356R94.5Very high92Very high91 Ų9128.1 Ų28.134%0.34313%0.13SC..Hα-helixtrans-65.7-45.6177.7-87.7-168.8-67.4-71.2-5.1112.3R1352 D1353 V1354 K1360 A1393R1352-R1356 PolarHBondContact O-NH1 3.33Å; R1352-R1356 PolarHBondContact O-NH2 2.89Å; D1353-R1356 PolarHBondContact O-N 3.48Å; D1353-R1356 IonicContact OD1-CZ 3Å; D1353-R1356 IonicContact OD1-NE 3.53Å; D1353-R1356 PolarHBondContact OD1-NE 3.47Å; D1353-R1356 IonicContact OD1-NH2 3.31Å; D1353-R1356 PolarHBondContact OD1-NH2 3.25Å; V1354-R1356 VanDerWaalsContact C-N 3.31Å; V1354-R1356 PolarHBondContact O-N 3.17Å; R1356-K1360 WeakPolarHBondContact O-CB 3.45Å; R1356-K1360 PolarHBondContact O-N 3.05Å; R1356-K1360 VanDerWaalsContact O-N 3.11Å; R1356-A1393 HydrophobicContact CB-CB 4.2Å; R1356-A1393 VanDerWaalsContact CD-O 3.23Å; R1356-A1393 WeakPolarHBondContact CD-O 3.4Å; R1356-A1393 PolarHBondContact NE-O 2.88Å
1357F95.7Very high91.6Very high0 Ų028.4 Ų28.40%013%0.134CC..Hα-helixtrans-55-56.1173.7176.7-89000111D1353 V1354 L1359 K1360 F1361 I1387 A1390 T1391 V1404D1353-F1357 PolarHBondContact O-N 3.09Å; V1354-F1357 PolarHBondContact O-N 3.48Å; F1357-L1359 VanDerWaalsContact C-N 3.33Å; F1357-L1359 PolarHBondContact O-N 3.44Å; F1357-K1360 PolarHBondContact O-N 2.8Å; F1357-K1360 VanDerWaalsContact O-N 3.13Å; F1357-F1361 HydrophobicContact CD1-CB 4.37Å; F1357-F1361 HydrophobicContact CE1-CB 3.87Å; F1357-F1361 HydrophobicContact CE1-CD1 4.34Å; F1357-F1361 HydrophobicContact CE1-CG 4.14Å; F1357-F1361 HydrophobicContact CZ-CB 4.16Å; F1357-F1361 HydrophobicContact CZ-CG 4.39Å; F1357-F1361 WeakPolarHBondContact O-CB 3.35Å; F1357-F1361 PolarHBondContact O-N 3.03Å; F1357-I1387 WeakPolarHBondContact CE2-O 3.48Å; F1357-I1387 HydrophobicContact CZ-CG2 4.19Å; F1357-A1390 HydrophobicContact CD2-CB 3.67Å; F1357-A1390 HydrophobicContact CE2-CB 3.42Å; F1357-A1390 VanDerWaalsContact CE2-CB 3.42Å; F1357-A1390 HydrophobicContact CG-CB 4.32Å; F1357-A1390 HydrophobicContact CZ-CB 3.86Å; F1357-T1391 HydrophobicContact CE2-CG2 4.15Å; F1357-V1404 HydrophobicContact CD1-CG2 3.97Å; F1357-V1404 HydrophobicContact CD2-CG2 4.32Å; F1357-V1404 HydrophobicContact CE1-CB 4.32Å; F1357-V1404 HydrophobicContact CE1-CG1 3.94Å; F1357-V1404 HydrophobicContact CE1-CG2 3.65Å; F1357-V1404 HydrophobicContact CE2-CG2 3.97Å; F1357-V1404 HydrophobicContact CG-CG2 4.33Å; F1357-V1404 HydrophobicContact CZ-CB 4.04Å; F1357-V1404 HydrophobicContact CZ-CG1 3.84Å; F1357-V1404 HydrophobicContact CZ-CG2 3.66Å
1358T95.2Very high90.7Very high3 Ų332.8 Ų32.82%0.01815%0.153CC..Hα-helixtrans-62.2-42.1-172.3-57.90000111.2F1250 L1286 L1312 V1354 F1361 L1362F1250-T1358 HydrophobicContact CE1-CG2 4.03Å; F1250-T1358 HydrophobicContact CZ-CG2 3.81Å; L1286-T1358 HydrophobicContact CD2-CG2 4.15Å; L1312-T1358 HydrophobicContact CD1-CG2 3.55Å; V1354-T1358 VanDerWaalsContact O-CB 3.23Å; V1354-T1358 WeakPolarHBondContact O-CB 3.19Å; V1354-T1358 PolarHBondContact O-N 2.68Å; V1354-T1358 PolarHBondContact O-OG1 3.04Å; T1358-F1361 PolarHBondContact O-N 3.31Å; T1358-L1362 HydrophobicContact CG2-CD1 3.94Å; T1358-L1362 HydrophobicContact CG2-CG 4.39Å; T1358-L1362 WeakPolarHBondContact O-CB 3.37Å; T1358-L1362 VanDerWaalsContact O-CG 3.3Å; T1358-L1362 WeakPolarHBondContact O-CG 3.43Å; T1358-L1362 PolarHBondContact O-N 3.44Å
1359L93.9Very high89.3Confident34 Ų3433.7 Ų33.718%0.17817%0.171CC..Hα-helixtrans-61.4-46.7175.1178.256.8000111.9F1250 I1253 D1355 F1357 T1363 L1425F1250-L1359 HydrophobicContact CE1-CB 4.05Å; F1250-L1359 HydrophobicContact CE1-CD1 4.49Å; F1250-L1359 HydrophobicContact CZ-CB 4.2Å; I1253-L1359 HydrophobicContact CD1-CD1 3.5Å; D1355-L1359 VanDerWaalsContact O-CB 3.28Å; D1355-L1359 WeakPolarHBondContact O-CB 3.49Å; D1355-L1359 PolarHBondContact O-N 3.09Å; F1357-L1359 VanDerWaalsContact C-N 3.33Å; F1357-L1359 PolarHBondContact O-N 3.44Å; L1359-T1363 WeakPolarHBondContact O-CB 3.29Å; L1359-T1363 PolarHBondContact O-N 3.36Å; L1359-T1363 VanDerWaalsContact O-N 3.12Å; L1359-T1363 PolarHBondContact O-OG1 2.94Å; L1359-L1425 HydrophobicContact CD1-CD2 4.15Å; L1359-L1425 HydrophobicContact CD2-CD2 4.14Å
1360K92.8Very high87.1Confident73 Ų7337.5 Ų37.532%0.31721%0.212SC..Hα-helixtrans-67.5-41-179.9-173.254.3174.7160.30111.8R1356 F1357 T1363 N1364 A1390 A1393R1356-K1360 WeakPolarHBondContact O-CB 3.45Å; R1356-K1360 PolarHBondContact O-N 3.05Å; R1356-K1360 VanDerWaalsContact O-N 3.11Å; F1357-K1360 PolarHBondContact O-N 2.8Å; F1357-K1360 VanDerWaalsContact O-N 3.13Å; K1360-T1363 PolarHBondContact O-N 3.29Å; K1360-N1364 WeakPolarHBondContact CE-OD1 3.29Å; K1360-N1364 PolarHBondContact NZ-OD1 3.46Å; K1360-N1364 WeakPolarHBondContact O-CB 3.27Å; K1360-N1364 PolarHBondContact O-N 3.27Å; K1360-N1364 PolarHBondContact O-OD1 2.91Å; K1360-A1390 HydrophobicContact CB-CB 4.17Å; K1360-A1390 HydrophobicContact CG-CB 4.25Å; K1360-A1393 HydrophobicContact CB-CB 3.96Å; K1360-A1393 HydrophobicContact CG-CB 4.26Å
1361F94.6Very high85.1Confident1 Ų138.5 Ų38.50%0.00422%0.22CC..Hα-helixtrans-60.1-55.3176.4171.1-123.2000111.9L1310 F1357 T1358 T1363 N1364 W1365 L1383 I1387 A1390L1310-F1361 HydrophobicContact CD1-CE1 4.11Å; L1310-F1361 HydrophobicContact CD2-CE1 4.16Å; F1357-F1361 HydrophobicContact CD1-CB 4.37Å; F1357-F1361 HydrophobicContact CE1-CB 3.87Å; F1357-F1361 HydrophobicContact CE1-CD1 4.34Å; F1357-F1361 HydrophobicContact CE1-CG 4.14Å; F1357-F1361 HydrophobicContact CZ-CB 4.16Å; F1357-F1361 HydrophobicContact CZ-CG 4.39Å; F1357-F1361 WeakPolarHBondContact O-CB 3.35Å; F1357-F1361 PolarHBondContact O-N 3.03Å; T1358-F1361 PolarHBondContact O-N 3.31Å; F1361-T1363 VanDerWaalsContact C-N 3.3Å; F1361-T1363 PolarHBondContact O-N 3.48Å; F1361-N1364 PolarHBondContact O-N 3.49Å; F1361-W1365 HydrophobicContact CD2-CB 4.23Å; F1361-W1365 HydrophobicContact CE1-CE3 4.01Å; F1361-W1365 HydrophobicContact CE1-CZ3 4.41Å; F1361-W1365 HydrophobicContact CE2-CB 3.93Å; F1361-W1365 AromaticContact CE2-CD2 3.99Å; F1361-W1365 HydrophobicContact CE2-CD2 3.99Å; F1361-W1365 HydrophobicContact CE2-CE3 4.05Å; F1361-W1365 AromaticContact CE2-CG 3.95Å; F1361-W1365 HydrophobicContact CE2-CG 3.95Å; F1361-W1365 AromaticContact CZ-CD2 3.83Å; F1361-W1365 HydrophobicContact CZ-CD2 3.83Å; F1361-W1365 AromaticContact CZ-CE3 3.48Å; F1361-W1365 HydrophobicContact CZ-CE3 3.48Å; F1361-W1365 VanDerWaalsContact CZ-CE3 3.48Å; F1361-W1365 HydrophobicContact CZ-CG 4.28Å; F1361-W1365 HydrophobicContact CZ-CZ3 4.02Å; F1361-W1365 WeakPolarHBondContact O-CB 3.48Å; F1361-W1365 PolarHBondContact O-N 3.49Å; F1361-L1383 HydrophobicContact CE2-CD1 3.88Å; F1361-L1383 HydrophobicContact CZ-CD1 3.75Å; F1361-I1387 HydrophobicContact CD2-CG1 3.88Å; F1361-I1387 HydrophobicContact CE2-CD1 4.38Å; F1361-I1387 HydrophobicContact CE2-CG1 3.59Å; F1361-I1387 HydrophobicContact CZ-CG1 4.2Å; F1361-A1390 HydrophobicContact CB-CB 3.71Å
1362L92.9Very high83.2Confident3 Ų341.6 Ų41.62%0.01624%0.236CC..Hα-helixtrans-59.6-40.4179.8-69.8173.3000112F1254 I1284 L1310 T1358 L1366 F1421F1254-L1362 HydrophobicContact CE1-CD1 4.19Å; F1254-L1362 HydrophobicContact CZ-CD1 4.27Å; I1284-L1362 HydrophobicContact CD1-CD2 4.21Å; L1310-L1362 HydrophobicContact CD1-CD2 3.71Å; T1358-L1362 HydrophobicContact CG2-CD1 3.94Å; T1358-L1362 HydrophobicContact CG2-CG 4.39Å; T1358-L1362 WeakPolarHBondContact O-CB 3.37Å; T1358-L1362 VanDerWaalsContact O-CG 3.3Å; T1358-L1362 WeakPolarHBondContact O-CG 3.43Å; T1358-L1362 PolarHBondContact O-N 3.44Å; L1362-L1366 HydrophobicContact CD2-CD1 3.87Å; L1362-L1366 WeakPolarHBondContact O-CB 3.45Å; L1362-L1366 PolarHBondContact O-N 2.83Å; L1362-F1421 HydrophobicContact CB-CZ 4.27Å; L1362-F1421 WeakPolarHBondContact O-CE2 3.12Å
1363T90.3Very high81.2Confident25 Ų2539.4 Ų39.415%0.15324%0.237CC..Hα-helixtrans-67-44179.3-52.50000111.9L1359 K1360 F1361 G1367 F1421 V1426L1359-T1363 WeakPolarHBondContact O-CB 3.29Å; L1359-T1363 PolarHBondContact O-N 3.36Å; L1359-T1363 VanDerWaalsContact O-N 3.12Å; L1359-T1363 PolarHBondContact O-OG1 2.94Å; K1360-T1363 PolarHBondContact O-N 3.29Å; F1361-T1363 VanDerWaalsContact C-N 3.3Å; F1361-T1363 PolarHBondContact O-N 3.48Å; T1363-G1367 WeakPolarHBondContact O-CA 3.43Å; T1363-G1367 PolarHBondContact O-N 2.69Å; T1363-F1421 HydrophobicContact CG2-CD2 4.49Å; T1363-V1426 HydrophobicContact CG2-CG2 4.44Å
1364N89.5Confident79.2Confident25 Ų2548.3 Ų48.313%0.13428%0.279CS..Hα-helixtrans-69.5-38.9178.8-8326.9000112.6K1360 F1361 E1381K1360-N1364 WeakPolarHBondContact CE-OD1 3.29Å; K1360-N1364 PolarHBondContact NZ-OD1 3.46Å; K1360-N1364 WeakPolarHBondContact O-CB 3.27Å; K1360-N1364 PolarHBondContact O-N 3.27Å; K1360-N1364 PolarHBondContact O-OD1 2.91Å; F1361-N1364 PolarHBondContact O-N 3.49Å; N1364-E1381 PolarHBondContact ND2-OE1 2.68Å; N1364-E1381 PolarHBondContact ND2-OE2 3.25Å
1365W90.1Very high76.9Confident0 Ų056.9 Ų56.90%032%0.317CS..Hα-helixtrans-86.5-42.9-169.9-174.148000113.7F1228 V1308 L1310 F1341 F1361 R1380 L1383 S1386 E1412F1228-W1365 AromaticContact CE1-CH2 3.65Å; F1228-W1365 HydrophobicContact CE1-CH2 3.65Å; F1228-W1365 AromaticContact CE1-CZ2 3.62Å; F1228-W1365 HydrophobicContact CE1-CZ2 3.62Å; F1228-W1365 HydrophobicContact CE2-CH2 4.42Å; F1228-W1365 AromaticContact CZ-CH2 3.32Å; F1228-W1365 HydrophobicContact CZ-CH2 3.32Å; F1228-W1365 AromaticContact CZ-CZ2 3.65Å; F1228-W1365 HydrophobicContact CZ-CZ2 3.65Å; F1228-W1365 HydrophobicContact CZ-CZ3 4.02Å; V1308-W1365 HydrophobicContact CG1-CH2 4.15Å; L1310-W1365 HydrophobicContact CD1-CZ3 4.32Å; L1310-W1365 HydrophobicContact CD2-CZ3 4.4Å; F1341-W1365 HydrophobicContact CE1-CH2 4.2Å; F1341-W1365 HydrophobicContact CE1-CZ2 4.12Å; F1341-W1365 HydrophobicContact CE2-CH2 4.48Å; F1341-W1365 AromaticContact CZ-CH2 3.52Å; F1341-W1365 HydrophobicContact CZ-CH2 3.52Å; F1341-W1365 AromaticContact CZ-CZ2 3.71Å; F1341-W1365 HydrophobicContact CZ-CZ2 3.71Å; F1341-W1365 HydrophobicContact CZ-CZ3 4.5Å; F1361-W1365 HydrophobicContact CD2-CB 4.23Å; F1361-W1365 HydrophobicContact CE1-CE3 4.01Å; F1361-W1365 HydrophobicContact CE1-CZ3 4.41Å; F1361-W1365 HydrophobicContact CE2-CB 3.93Å; F1361-W1365 AromaticContact CE2-CD2 3.99Å; F1361-W1365 HydrophobicContact CE2-CD2 3.99Å; F1361-W1365 HydrophobicContact CE2-CE3 4.05Å; F1361-W1365 AromaticContact CE2-CG 3.95Å; F1361-W1365 HydrophobicContact CE2-CG 3.95Å; F1361-W1365 AromaticContact CZ-CD2 3.83Å; F1361-W1365 HydrophobicContact CZ-CD2 3.83Å; F1361-W1365 AromaticContact CZ-CE3 3.48Å; F1361-W1365 HydrophobicContact CZ-CE3 3.48Å; F1361-W1365 VanDerWaalsContact CZ-CE3 3.48Å; F1361-W1365 HydrophobicContact CZ-CG 4.28Å; F1361-W1365 HydrophobicContact CZ-CZ3 4.02Å; F1361-W1365 WeakPolarHBondContact O-CB 3.48Å; F1361-W1365 PolarHBondContact O-N 3.49Å; W1365-R1380 PolarHBondContact O-NH1 3.23Å; W1365-L1383 HydrophobicContact CD2-CD1 4.32Å; W1365-L1383 HydrophobicContact CZ2-CD1 3.98Å; W1365-S1386 WeakPolarHBondContact CA-OG 3.35Å; W1365-E1412 PolarHBondContact NE1-OE2 3.43Å
1366L90.1Very high74.5Confident0 Ų062.9 Ų62.90%035%0.349CS..Hα-helixtrans-100.1-11.5-175.7-53.6-175.4000113.4F1228 P1230 W1260 L1282 L1362 P1413 L1419 F1421F1228-L1366 HydrophobicContact CE2-CD2 4.4Å; F1228-L1366 HydrophobicContact CZ-CD2 4.01Å; P1230-L1366 HydrophobicContact CB-CD1 4.36Å; P1230-L1366 HydrophobicContact CB-CD2 3.93Å; W1260-L1366 HydrophobicContact CH2-CD1 4.37Å; W1260-L1366 HydrophobicContact CZ2-CD1 4.09Å; L1282-L1366 HydrophobicContact CD2-CD1 3.8Å; L1362-L1366 HydrophobicContact CD2-CD1 3.87Å; L1362-L1366 WeakPolarHBondContact O-CB 3.45Å; L1362-L1366 PolarHBondContact O-N 2.83Å; L1366-P1413 HydrophobicContact CD2-CB 4.05Å; L1366-P1413 HydrophobicContact CD2-CG 3.97Å; L1366-L1419 HydrophobicContact CB-CD1 4.18Å; L1366-L1419 HydrophobicContact CD1-CD1 4.33Å; L1366-L1419 PolarHBondContact O-N 3.35Å; L1366-F1421 HydrophobicContact CB-CE2 4.08Å; L1366-F1421 HydrophobicContact CB-CZ 4.35Å
1367G85.3Confident72.4Confident11 Ų1161.5 Ų61.511%0.11336%0.357CS..BIsolated β-bridgetrans-77.2145.9-174.300000113.9T1363 L1419T1363-G1367 WeakPolarHBondContact O-CA 3.43Å; T1363-G1367 PolarHBondContact O-N 2.69Å; G1367-L1419 CarbonylContact C-O 3.59Å; G1367-L1419 WeakPolarHBondContact CA-O 3.28Å
1368K75Confident70.3Confident95 Ų9570.5 Ų70.541%0.41340%0.396SS..PPolyproline II helixtrans-69.3134.2158-75.9176.9163.5127.40109L1418 L1419 K1420K1368-L1418 HydrophobicContact CD-CB 4.4Å; K1368-L1418 WeakPolarHBondContact CD-O 3.39Å; K1368-L1418 WeakPolarHBondContact CE-O 3.45Å; K1368-L1418 HydrophobicContact CG-CB 3.52Å; K1368-L1418 PolarHBondContact NZ-O 3.38Å; K1368-L1419 PolarHBondContact N-O 3.01Å; K1368-K1420 HydrophobicContact CB-CG 4.49Å; K1368-K1420 HydrophobicContact CD-CG 4.02Å
1369G60Low68.4Low55 Ų5576.1 Ų76.157%0.56743%0.433SS*.PPolyproline II helixtrans-56.5144.6172.100000110.7S1371G1369-S1371 PolarHBondContact O-N 3.29Å
1370G47Very low67Low89 Ų8978.5 Ų78.592%0.91844%0.44SS*.SBendtrans-74.914.6-168.100000116.8
1371S46Very low66.3Low39 Ų3977.3 Ų77.327%0.27344%0.435SS..  trans-112.2119.317351.10000108.5G1369G1369-S1371 PolarHBondContact O-N 3.29Å
1372D45.3Very low65.8Low133 Ų13378.1 Ų78.171%0.71144%0.44SS*.  trans-78.3-5.9167.3-74.1-61.9000111K1420D1372-K1420 IonicContact OD1-NZ 4Å; D1372-K1420 PolarHBondContact OD1-NZ 3.12Å; D1372-K1420 IonicContact OD2-NZ 2.71Å; D1372-K1420 PolarHBondContact OD2-NZ 3.2Å
1373D46.3Very low65.5Low122 Ų12278 Ų7865%0.65244%0.44SS*.  trans-77.7116.5169.2-58.4-68.1000111.8H1375D1373-H1375 PolarHBondContact O-N 3.26Å
1374E49.5Very low65.4Low189 Ų18977.4 Ų77.488%0.88344%0.438SS*.THydrogen-bonded Turntrans-65.2-21.4-177.4-62.4-168.9129.200114
1375H46.9Very low65.3Low196 Ų19678.2 Ų78.291%0.90744%0.441SS*.THydrogen-bonded Turntrans-82.6-20.1-173.6-83.8-67.5000115.7D1373D1373-H1375 PolarHBondContact O-N 3.26Å
1376D43.6Very low65.3Low137 Ų13778.2 Ų78.273%0.73344%0.441SS*.SBendtrans-124.823.8-176.3-153.717.7000112.3K1378D1376-K1378 PolarHBondContact O-N 3.08Å
1377A49.9Very low65.4Low61 Ų6179 Ų7950%0.50445%0.445SS..  trans-68.5111179.100000111.3
1378K51.9Low65.7Low189 Ų18980.5 Ų80.582%0.82245%0.449SS*.PPolyproline II helixtrans-51134.6173.6-73.9-174.7176.5-179.20111.1D1376 R1380D1376-K1378 PolarHBondContact O-N 3.08Å; K1378-R1380 PolarHBondContact O-N 3.47Å
1379P54.8Low66.4Low122 Ų12278 Ų7879%0.79244%0.44SS*.PPolyproline II helixtrans-58.7134.4179.524.1-33.7000110.6E1381P1379-E1381 PolarHBondContact O-N 3.07Å
1380R65.6Low68Low84 Ų8475.4 Ų75.432%0.31741%0.413SS..PPolyproline II helixtrans-63.4132.8-172.6-162.2-16474.599.13.2110.9W1365 K1378 T1382 E1412W1365-R1380 PolarHBondContact O-NH1 3.23Å; K1378-R1380 PolarHBondContact O-N 3.47Å; R1380-T1382 PolarHBondContact O-N 2.86Å; R1380-E1412 IonicContact CZ-OE2 2.76Å; R1380-E1412 IonicContact NH1-OE2 2.65Å; R1380-E1412 PolarHBondContact NH1-OE2 2.95Å; R1380-E1412 IonicContact NH2-OE1 2.63Å; R1380-E1412 PolarHBondContact NH2-OE1 3.05Å; R1380-E1412 VanDerWaalsContact NH2-OE1 3.11Å; R1380-E1412 IonicContact NH2-OE2 3.94Å; R1380-E1412 PolarHBondContact NH2-OE2 3.22Å
1381E77.4Confident70.1Confident48 Ų4871.6 Ų71.622%0.22437%0.372CS..PPolyproline II helixtrans-64.8131.8171.3-62-170.6-165.500110.6N1364 P1379 Q1385 S1386 N1389N1364-E1381 PolarHBondContact ND2-OE1 2.68Å; N1364-E1381 PolarHBondContact ND2-OE2 3.25Å; P1379-E1381 PolarHBondContact O-N 3.07Å; E1381-Q1385 HydrophobicContact CB-CB 4.07Å; E1381-Q1385 HydrophobicContact CB-CG 3.94Å; E1381-Q1385 HydrophobicContact CG-CG 3.85Å; E1381-S1386 WeakPolarHBondContact CB-OG 3.5Å; E1381-S1386 WeakPolarHBondContact OE2-CA 3.33Å; E1381-N1389 PolarHBondContact OE1-ND2 3.49Å; E1381-N1389 PolarHBondContact OE2-ND2 2.94Å
1382T83.9Confident72.3Confident18 Ų1873.2 Ų73.211%0.1138%0.383CS..PPolyproline II helixtrans-70.2170.1168.9580000111P1157 R1380 G1384 Q1385 S1386 E1412P1157-T1382 HydrophobicContact CG-CG2 3.71Å; R1380-T1382 PolarHBondContact O-N 2.86Å; T1382-G1384 VanDerWaalsContact C-N 3.3Å; T1382-G1384 PolarHBondContact O-N 2.96Å; T1382-Q1385 PolarHBondContact O-N 3.41Å; T1382-Q1385 WeakPolarHBondContact OG1-CB 3.17Å; T1382-Q1385 PolarHBondContact OG1-N 3.43Å; T1382-Q1385 VanDerWaalsContact OG1-N 3.13Å; T1382-S1386 VanDerWaalsContact O-CB 3.23Å; T1382-S1386 WeakPolarHBondContact O-CB 3.13Å; T1382-S1386 PolarHBondContact O-N 3.44Å; T1382-S1386 PolarHBondContact O-OG 3.27Å; T1382-E1412 WeakPolarHBondContact CA-OE1 3.41Å; T1382-E1412 WeakPolarHBondContact CB-OE1 3.38Å
1383L87.7Confident74.6Confident1 Ų168.2 Ų68.21%0.00536%0.361CS..Hα-helixtrans-52.1-48.1170.7175.660000111.4T1188 F1341 F1361 W1365 S1386 I1387 E1412T1188-L1383 HydrophobicContact CG2-CB 3.83Å; T1188-L1383 HydrophobicContact CG2-CD2 3.88Å; T1188-L1383 HydrophobicContact CG2-CG 4.03Å; F1341-L1383 HydrophobicContact CD1-CD2 4.21Å; F1341-L1383 HydrophobicContact CE1-CD2 3.62Å; F1341-L1383 HydrophobicContact CE2-CD1 4.45Å; F1341-L1383 HydrophobicContact CE2-CD2 4.2Å; F1341-L1383 HydrophobicContact CZ-CD1 3.93Å; F1341-L1383 HydrophobicContact CZ-CD2 3.58Å; F1341-L1383 HydrophobicContact CZ-CG 4.43Å; F1361-L1383 HydrophobicContact CE2-CD1 3.88Å; F1361-L1383 HydrophobicContact CZ-CD1 3.75Å; W1365-L1383 HydrophobicContact CD2-CD1 4.32Å; W1365-L1383 HydrophobicContact CZ2-CD1 3.98Å; L1383-S1386 PolarHBondContact O-N 3.11Å; L1383-I1387 HydrophobicContact CD1-CD1 3.8Å; L1383-I1387 HydrophobicContact CD1-CG1 4.33Å; L1383-I1387 HydrophobicContact CG-CD1 4.17Å; L1383-I1387 WeakPolarHBondContact O-CG1 3.36Å; L1383-I1387 PolarHBondContact O-N 3.19Å; L1383-E1412 PolarHBondContact N-OE1 3.1Å; L1383-E1412 PolarHBondContact N-OE2 3.38Å
1384G87.7Confident76.9Confident12 Ų1262.7 Ų62.712%0.12433%0.331CS..Hα-helixtrans-61.2-48.8175.900000113.4T1188 T1382 S1386 I1387 F1388T1188-G1384 PolarHBondContact OG1-N 3.04Å; T1382-G1384 VanDerWaalsContact C-N 3.3Å; T1382-G1384 PolarHBondContact O-N 2.96Å; G1384-S1386 VanDerWaalsContact C-N 3.34Å; G1384-S1386 PolarHBondContact O-N 3.01Å; G1384-I1387 PolarHBondContact O-N 3.01Å; G1384-F1388 WeakPolarHBondContact O-CB 3.45Å; G1384-F1388 PolarHBondContact O-N 2.88Å
1385Q87.7Confident79Confident42 Ų4259.4 Ų59.420%0.19631%0.314CS..Hα-helixtrans-62.1-40.7177.9-172.868.661.800112.1E1381 T1382 F1388 N1389E1381-Q1385 HydrophobicContact CB-CB 4.07Å; E1381-Q1385 HydrophobicContact CB-CG 3.94Å; E1381-Q1385 HydrophobicContact CG-CG 3.85Å; T1382-Q1385 PolarHBondContact O-N 3.41Å; T1382-Q1385 WeakPolarHBondContact OG1-CB 3.17Å; T1382-Q1385 PolarHBondContact OG1-N 3.43Å; T1382-Q1385 VanDerWaalsContact OG1-N 3.13Å; Q1385-F1388 PolarHBondContact O-N 3.16Å; Q1385-N1389 PolarHBondContact NE2-ND2 2.81Å; Q1385-N1389 PolarHBondContact NE2-OD1 2.71Å; Q1385-N1389 VanDerWaalsContact O-CB 3.3Å; Q1385-N1389 WeakPolarHBondContact O-CB 3.19Å; Q1385-N1389 PolarHBondContact O-N 3.11Å
1386S90.5Very high81.3Confident0 Ų050 Ų500%027%0.271CS..Hα-helixtrans-66.8-43.1-179-58.10000111.9W1365 E1381 T1382 L1383 G1384 A1390W1365-S1386 WeakPolarHBondContact CA-OG 3.35Å; E1381-S1386 WeakPolarHBondContact CB-OG 3.5Å; E1381-S1386 WeakPolarHBondContact OE2-CA 3.33Å; T1382-S1386 VanDerWaalsContact O-CB 3.23Å; T1382-S1386 WeakPolarHBondContact O-CB 3.13Å; T1382-S1386 PolarHBondContact O-N 3.44Å; T1382-S1386 PolarHBondContact O-OG 3.27Å; L1383-S1386 PolarHBondContact O-N 3.11Å; G1384-S1386 VanDerWaalsContact C-N 3.34Å; G1384-S1386 PolarHBondContact O-N 3.01Å; S1386-A1390 WeakPolarHBondContact O-CB 3.12Å; S1386-A1390 PolarHBondContact O-N 3.1Å
1387I92.4Very high83.7Confident17 Ų1748.1 Ų48.19%0.08726%0.256CS..Hα-helixtrans-63.1-47.2174.1-71.5170.6000110W1175 F1357 F1361 L1383 G1384 A1390 T1391 V1404 V1406W1175-I1387 HydrophobicContact CH2-CG2 3.87Å; W1175-I1387 HydrophobicContact CZ2-CG2 3.63Å; F1357-I1387 WeakPolarHBondContact CE2-O 3.48Å; F1357-I1387 HydrophobicContact CZ-CG2 4.19Å; F1361-I1387 HydrophobicContact CD2-CG1 3.88Å; F1361-I1387 HydrophobicContact CE2-CD1 4.38Å; F1361-I1387 HydrophobicContact CE2-CG1 3.59Å; F1361-I1387 HydrophobicContact CZ-CG1 4.2Å; L1383-I1387 HydrophobicContact CD1-CD1 3.8Å; L1383-I1387 HydrophobicContact CD1-CG1 4.33Å; L1383-I1387 HydrophobicContact CG-CD1 4.17Å; L1383-I1387 WeakPolarHBondContact O-CG1 3.36Å; L1383-I1387 PolarHBondContact O-N 3.19Å; G1384-I1387 PolarHBondContact O-N 3.01Å; I1387-A1390 PolarHBondContact O-N 3.46Å; I1387-T1391 WeakPolarHBondContact O-CG2 3.37Å; I1387-T1391 PolarHBondContact O-N 2.93Å; I1387-V1404 HydrophobicContact CG2-CG1 4.29Å; I1387-V1406 HydrophobicContact CD1-CG2 3.66Å
1388F90Very high85.8Confident42 Ų4245.5 Ų45.518%0.18423%0.233CC..Hα-helixtrans-59.5-51.4178.5-175.4-86000111.8W1175 R1180 I1186 G1384 Q1385 A1390 T1391W1175-F1388 HydrophobicContact CE3-CD2 4.47Å; W1175-F1388 AromaticContact CZ3-CD2 3.77Å; W1175-F1388 HydrophobicContact CZ3-CD2 3.77Å; W1175-F1388 HydrophobicContact CZ3-CE2 4.46Å; W1175-F1388 HydrophobicContact CZ3-CG 4.47Å; R1180-F1388 HydrophobicContact CG-CE2 4.45Å; R1180-F1388 HydrophobicContact CG-CZ 4.07Å; I1186-F1388 HydrophobicContact CD1-CB 3.7Å; I1186-F1388 HydrophobicContact CD1-CD1 3.42Å; I1186-F1388 VanDerWaalsContact CD1-CD1 3.42Å; I1186-F1388 HydrophobicContact CD1-CD2 3.81Å; I1186-F1388 HydrophobicContact CD1-CE1 3.93Å; I1186-F1388 HydrophobicContact CD1-CE2 4.28Å; I1186-F1388 HydrophobicContact CD1-CG 3.35Å; I1186-F1388 HydrophobicContact CD1-CZ 4.33Å; G1384-F1388 WeakPolarHBondContact O-CB 3.45Å; G1384-F1388 PolarHBondContact O-N 2.88Å; Q1385-F1388 PolarHBondContact O-N 3.16Å; F1388-A1390 VanDerWaalsContact C-N 3.32Å; F1388-A1390 PolarHBondContact O-N 3.39Å; F1388-T1391 WeakPolarHBondContact O-CB 3.34Å; F1388-T1391 PolarHBondContact O-N 3.36Å; F1388-T1391 PolarHBondContact O-OG1 2.64Å
1389N90.3Very high87.8Confident43 Ų4336.5 Ų36.523%0.2319%0.194CC..Hα-helixtrans-64.2-35.4-179.4-75.6-2000112.2E1381 Q1385 T1391 S1392E1381-N1389 PolarHBondContact OE1-ND2 3.49Å; E1381-N1389 PolarHBondContact OE2-ND2 2.94Å; Q1385-N1389 PolarHBondContact NE2-ND2 2.81Å; Q1385-N1389 PolarHBondContact NE2-OD1 2.71Å; Q1385-N1389 VanDerWaalsContact O-CB 3.3Å; Q1385-N1389 WeakPolarHBondContact O-CB 3.19Å; Q1385-N1389 PolarHBondContact O-N 3.11Å; N1389-T1391 VanDerWaalsContact C-N 3.26Å; N1389-T1391 PolarHBondContact O-N 3.13Å; N1389-S1392 VanDerWaalsContact O-CB 3.32Å; N1389-S1392 WeakPolarHBondContact O-CB 3.22Å; N1389-S1392 PolarHBondContact O-N 2.76Å; N1389-S1392 VanDerWaalsContact O-N 3.11Å; N1389-S1392 PolarHBondContact O-OG 3.5Å
1390A92.9Very high89.7Confident0 Ų030.8 Ų30.80%016%0.157CC..Hα-helixtrans-63.9-26.3176.400000113.9F1357 K1360 F1361 S1386 I1387 F1388 S1392 A1393F1357-A1390 HydrophobicContact CD2-CB 3.67Å; F1357-A1390 HydrophobicContact CE2-CB 3.42Å; F1357-A1390 VanDerWaalsContact CE2-CB 3.42Å; F1357-A1390 HydrophobicContact CG-CB 4.32Å; F1357-A1390 HydrophobicContact CZ-CB 3.86Å; K1360-A1390 HydrophobicContact CB-CB 4.17Å; K1360-A1390 HydrophobicContact CG-CB 4.25Å; F1361-A1390 HydrophobicContact CB-CB 3.71Å; S1386-A1390 WeakPolarHBondContact O-CB 3.12Å; S1386-A1390 PolarHBondContact O-N 3.1Å; I1387-A1390 PolarHBondContact O-N 3.46Å; F1388-A1390 VanDerWaalsContact C-N 3.32Å; F1388-A1390 PolarHBondContact O-N 3.39Å; A1390-S1392 PolarHBondContact O-N 3.29Å; A1390-S1392 VanDerWaalsContact O-N 3.16Å; A1390-A1393 PolarHBondContact O-N 2.88Å; A1390-A1393 VanDerWaalsContact O-N 3.16Å
1391T92.9Very high91Very high8 Ų826.8 Ų26.85%0.04914%0.142CC..G310 helixtrans-61-23.4173.269.70000113.3W1175 F1357 I1387 F1388 N1389 A1393 C1394W1175-T1391 HydrophobicContact CH2-CG2 3.31Å; W1175-T1391 HydrophobicContact CZ2-CG2 4.09Å; W1175-T1391 HydrophobicContact CZ3-CG2 3.83Å; F1357-T1391 HydrophobicContact CE2-CG2 4.15Å; I1387-T1391 WeakPolarHBondContact O-CG2 3.37Å; I1387-T1391 PolarHBondContact O-N 2.93Å; F1388-T1391 WeakPolarHBondContact O-CB 3.34Å; F1388-T1391 PolarHBondContact O-N 3.36Å; F1388-T1391 PolarHBondContact O-OG1 2.64Å; N1389-T1391 VanDerWaalsContact C-N 3.26Å; N1389-T1391 PolarHBondContact O-N 3.13Å; T1391-A1393 PolarHBondContact O-N 2.68Å; T1391-C1394 WeakPolarHBondContact O-CB 3.22Å; T1391-C1394 PolarHBondContact O-N 3.12Å
1392S91.5Very high91.8Very high73 Ų7325.7 Ų25.751%0.5114%0.136SC..G310 helixtrans-65.4-24.8178.370.40000113.4N1389 A1390 C1394N1389-S1392 VanDerWaalsContact O-CB 3.32Å; N1389-S1392 WeakPolarHBondContact O-CB 3.22Å; N1389-S1392 PolarHBondContact O-N 2.76Å; N1389-S1392 VanDerWaalsContact O-N 3.11Å; N1389-S1392 PolarHBondContact O-OG 3.5Å; A1390-S1392 PolarHBondContact O-N 3.29Å; A1390-S1392 VanDerWaalsContact O-N 3.16Å; S1392-C1394 VanDerWaalsContact C-N 3.34Å
1393A93.2Very high92.3Very high29 Ų2924.9 Ų24.924%0.2413%0.131CC..G310 helixtrans-78.9-14.817700000113.4R1356 K1360 A1390 T1391R1356-A1393 HydrophobicContact CB-CB 4.2Å; R1356-A1393 VanDerWaalsContact CD-O 3.23Å; R1356-A1393 WeakPolarHBondContact CD-O 3.4Å; R1356-A1393 PolarHBondContact NE-O 2.88Å; K1360-A1393 HydrophobicContact CB-CB 3.96Å; K1360-A1393 HydrophobicContact CG-CB 4.26Å; A1390-A1393 PolarHBondContact O-N 2.88Å; A1390-A1393 VanDerWaalsContact O-N 3.16Å; T1391-A1393 PolarHBondContact O-N 2.68Å
1394C94Very high92.7Very high5 Ų524.9 Ų24.93%0.03413%0.131CC..  trans-75.3141.6175.1-58.80000111D1353 T1391 S1392 K1397D1353-C1394 WeakPolarHBondContact OD1-CA 3.37Å; T1391-C1394 WeakPolarHBondContact O-CB 3.22Å; T1391-C1394 PolarHBondContact O-N 3.12Å; S1392-C1394 VanDerWaalsContact C-N 3.34Å; C1394-K1397 HydrophobicContact CB-CG 4.49Å; C1394-K1397 VanDerWaalsContact O-CG 3.25Å; C1394-K1397 WeakPolarHBondContact O-CG 3.26Å
1395K93.5Very high93Very high120 Ų12024.5 Ų24.552%0.52213%0.126SC..SBendtrans-71.9-37.2162.9-65.8-169.4177.1-1620110.6D1353D1353-K1395 VanDerWaalsContact CG-N 3.28Å; D1353-K1395 PolarHBondContact OD1-N 2.86Å; D1353-K1395 PolarHBondContact OD2-N 3.42Å
1396L95.2Very high93.4Very high0 Ų022.6 Ų22.60%012%0.118CC..SBendtrans-103.471.5175.9-57.8177.7000108.7W1109 R1112 Y1113 N1116 D1353 H1398 L1399 V1400 G1401W1109-L1396 HydrophobicContact CZ3-CD1 4.17Å; W1109-L1396 HydrophobicContact CZ3-CG 4.32Å; R1112-L1396 HydrophobicContact CB-CD1 4.1Å; R1112-L1396 HydrophobicContact CB-CD2 4.38Å; Y1113-L1396 HydrophobicContact CD1-CD2 3.62Å; Y1113-L1396 HydrophobicContact CE1-CD2 3.79Å; Y1113-L1396 HydrophobicContact CG-CD2 4.42Å; N1116-L1396 HydrophobicContact CB-CD2 4.09Å; N1116-L1396 WeakPolarHBondContact OD1-CA 3.49Å; D1353-L1396 PolarHBondContact OD2-N 2.96Å; L1396-H1398 PolarHBondContact O-N 3.05Å; L1396-L1399 HydrophobicContact CB-CB 4.19Å; L1396-L1399 PolarHBondContact O-N 3.37Å; L1396-V1400 HydrophobicContact CB-CB 4.3Å; L1396-V1400 HydrophobicContact CB-CG2 3.95Å; L1396-V1400 HydrophobicContact CD1-CG2 4.28Å; L1396-V1400 WeakPolarHBondContact O-CA 3.4Å; L1396-V1400 WeakPolarHBondContact O-CB 3.4Å; L1396-V1400 PolarHBondContact O-N 2.98Å; L1396-G1401 PolarHBondContact O-N 2.99Å
1397K93.8Very high93.5Very high96 Ų9622.7 Ų22.742%0.41712%0.118SC..THydrogen-bonded Turntrans-54.9-25.7-173.7-57.2-177.2179.7175.80113.9N1116 C1394 G1401 K1402N1116-K1397 PolarHBondContact OD1-N 3.15Å; C1394-K1397 HydrophobicContact CB-CG 4.49Å; C1394-K1397 VanDerWaalsContact O-CG 3.25Å; C1394-K1397 WeakPolarHBondContact O-CG 3.26Å; K1397-G1401 CarbonylContact O-C 3.5Å; K1397-G1401 WeakPolarHBondContact O-CA 3.47Å; K1397-G1401 PolarHBondContact O-N 2.87Å; K1397-K1402 PolarHBondContact O-N 3.03Å
1398H94.7Very high93.5Very high7 Ų721.9 Ų21.93%0.03211%0.114CC..THydrogen-bonded Turntrans-104.4-48.4-176.8-54.7-104.2000109.9N1116 L1119 E1120 L1396 V1400 K1402N1116-H1398 WeakPolarHBondContact OD1-CA 3.41Å; N1116-H1398 WeakPolarHBondContact OD1-CB 3.31Å; N1116-H1398 PolarHBondContact OD1-N 3.09Å; L1119-H1398 HydrophobicContact CD2-CB 4.28Å; L1119-H1398 HydrophobicContact CG-CB 4.39Å; E1120-H1398 WeakPolarHBondContact CB-ND1 3.47Å; E1120-H1398 VanDerWaalsContact CG-CE1 3.45Å; E1120-H1398 WeakPolarHBondContact CG-CE1 3.27Å; E1120-H1398 IonicContact OE1-CE1 3.1Å; E1120-H1398 PolarHBondContact OE1-CE1 3.42Å; E1120-H1398 IonicContact OE1-NE2 3.25Å; E1120-H1398 PolarHBondContact OE1-NE2 2.95Å; E1120-H1398 IonicContact OE2-CD2 3.59Å; E1120-H1398 IonicContact OE2-CE1 2.82Å; E1120-H1398 IonicContact OE2-NE2 3.49Å; L1396-H1398 PolarHBondContact O-N 3.05Å; H1398-V1400 VanDerWaalsContact C-N 3.33Å; H1398-V1400 PolarHBondContact O-N 3.32Å; H1398-K1402 WeakPolarHBondContact O-CB 3.3Å; H1398-K1402 PolarHBondContact O-N 3.24Å
1399L94Very high93.3Very high0 Ų020.1 Ų20.10%011%0.106CC..THydrogen-bonded Turntrans-74.8-19.6-178.1-160.766000113.9L1115 N1116 L1119 W1347 L1396L1115-L1399 HydrophobicContact CB-CD2 4Å; N1116-L1399 HydrophobicContact CB-CB 4.18Å; N1116-L1399 PolarHBondContact OD1-N 2.89Å; L1119-L1399 HydrophobicContact CD2-CD1 3.93Å; W1347-L1399 PolarHBondContact NE1-O 3.26Å; L1396-L1399 HydrophobicContact CB-CB 4.19Å; L1396-L1399 PolarHBondContact O-N 3.37Å
1400V94.3Very high92.9Very high1 Ų118.1 Ų18.11%0.00610%0.096CC..THydrogen-bonded Turntrans-115.2-51.9171.5176.40000110.7V1349 D1353 V1354 L1396 H1398 K1402 S1403V1349-V1400 HydrophobicContact CB-CG1 4.17Å; V1349-V1400 HydrophobicContact CB-CG2 4.13Å; V1349-V1400 HydrophobicContact CG1-CB 4.45Å; V1349-V1400 HydrophobicContact CG1-CG1 4.16Å; V1349-V1400 HydrophobicContact CG1-CG2 4.31Å; D1353-V1400 HydrophobicContact CB-CG1 4.27Å; D1353-V1400 HydrophobicContact CB-CG2 4.33Å; V1354-V1400 HydrophobicContact CB-CG1 4.2Å; L1396-V1400 HydrophobicContact CB-CB 4.3Å; L1396-V1400 HydrophobicContact CB-CG2 3.95Å; L1396-V1400 HydrophobicContact CD1-CG2 4.28Å; L1396-V1400 WeakPolarHBondContact O-CA 3.4Å; L1396-V1400 WeakPolarHBondContact O-CB 3.4Å; L1396-V1400 PolarHBondContact O-N 2.98Å; H1398-V1400 VanDerWaalsContact C-N 3.33Å; H1398-V1400 PolarHBondContact O-N 3.32Å; V1400-K1402 PolarHBondContact O-N 3.04Å; V1400-S1403 VanDerWaalsContact O-CB 3.3Å; V1400-S1403 WeakPolarHBondContact O-CB 3.02Å; V1400-S1403 PolarHBondContact O-N 2.92Å; V1400-S1403 VanDerWaalsContact O-N 3.12Å; V1400-S1403 PolarHBondContact O-OG 3.05Å
1401G93.4Very high92.5Very high0 Ų018.2 Ų18.20%010%0.097CC..G310 helixtrans-60.1-48.9-176.100000114.1L1396 K1397 S1403L1396-G1401 PolarHBondContact O-N 2.99Å; K1397-G1401 CarbonylContact O-C 3.5Å; K1397-G1401 WeakPolarHBondContact O-CA 3.47Å; K1397-G1401 PolarHBondContact O-N 2.87Å; G1401-S1403 PolarHBondContact O-N 3.1Å
1402K94.3Very high92.2Very high26 Ų2618.9 Ų18.911%0.11310%0.099CC..G310 helixtrans-76.55.3176.6-62.3-170162.5-158.50114.7L1123 W1175 W1347 K1397 H1398 V1400 V1404L1123-K1402 HydrophobicContact CD1-CD 3.52Å; W1175-K1402 HydrophobicContact CB-CB 4.37Å; W1175-K1402 HydrophobicContact CB-CD 3.66Å; W1175-K1402 HydrophobicContact CB-CG 4.07Å; W1175-K1402 HydrophobicContact CD2-CB 4.02Å; W1175-K1402 HydrophobicContact CD2-CD 4.23Å; W1175-K1402 HydrophobicContact CD2-CG 3.66Å; W1175-K1402 HydrophobicContact CE3-CD 4.3Å; W1175-K1402 HydrophobicContact CE3-CG 3.77Å; W1175-K1402 HydrophobicContact CG-CB 3.93Å; W1175-K1402 HydrophobicContact CG-CD 4.02Å; W1175-K1402 HydrophobicContact CG-CG 3.84Å; W1175-K1402 HydrophobicContact CZ3-CG 4.4Å; W1175-K1402 PolarHBondContact O-NZ 3.07Å; W1347-K1402 WeakPolarHBondContact CH2-O 3.19Å; K1397-K1402 PolarHBondContact O-N 3.03Å; H1398-K1402 WeakPolarHBondContact O-CB 3.3Å; H1398-K1402 PolarHBondContact O-N 3.24Å; V1400-K1402 PolarHBondContact O-N 3.04Å; K1402-V1404 VanDerWaalsContact C-N 3.29Å
1403S95Very high92Very high0 Ų015.7 Ų15.70%08%0.077CC..G310 helixtrans-77-19.8172.675.20000112.8L1345 L1346 W1347 V1349 V1400 G1401L1345-S1403 CarbonylContact C-O 3.54Å; L1345-S1403 WeakPolarHBondContact CA-O 3.34Å; L1346-S1403 PolarHBondContact N-O 3.31Å; W1347-S1403 VanDerWaalsContact CE2-CB 3.44Å; W1347-S1403 VanDerWaalsContact CZ2-CA 3.49Å; V1349-S1403 WeakPolarHBondContact CG1-OG 3.22Å; V1400-S1403 VanDerWaalsContact O-CB 3.3Å; V1400-S1403 WeakPolarHBondContact O-CB 3.02Å; V1400-S1403 PolarHBondContact O-N 2.92Å; V1400-S1403 VanDerWaalsContact O-N 3.12Å; V1400-S1403 PolarHBondContact O-OG 3.05Å; G1401-S1403 PolarHBondContact O-N 3.1Å
1404V95.2Very high91.6Very high2 Ų218.6 Ų18.61%0.0128%0.084CC..EExtended strand (participates in β ladder)trans-78130-172.6-175.20000110.3W1175 L1345 F1357 I1387 K1402W1175-V1404 PolarHBondContact NE1-O 3.33Å; L1345-V1404 HydrophobicContact CD2-CB 4.39Å; L1345-V1404 HydrophobicContact CD2-CG2 3.7Å; F1357-V1404 HydrophobicContact CD1-CG2 3.97Å; F1357-V1404 HydrophobicContact CD2-CG2 4.32Å; F1357-V1404 HydrophobicContact CE1-CB 4.32Å; F1357-V1404 HydrophobicContact CE1-CG1 3.94Å; F1357-V1404 HydrophobicContact CE1-CG2 3.65Å; F1357-V1404 HydrophobicContact CE2-CG2 3.97Å; F1357-V1404 HydrophobicContact CG-CG2 4.33Å; F1357-V1404 HydrophobicContact CZ-CB 4.04Å; F1357-V1404 HydrophobicContact CZ-CG1 3.84Å; F1357-V1404 HydrophobicContact CZ-CG2 3.66Å; I1387-V1404 HydrophobicContact CG2-CG1 4.29Å; K1402-V1404 VanDerWaalsContact C-N 3.29Å
1405I94.8Very high90.6Very high3 Ų325.9 Ų25.92%0.01511%0.111CC..EExtended strand (participates in β ladder)trans-141.5158.5-178.854.4156.3000111C1343 G1344 L1346 Y1407C1343-I1405 WeakPolarHBondContact CA-O 3.43Å; G1344-I1405 PolarHBondContact N-O 2.88Å; G1344-I1405 WeakPolarHBondContact O-CG1 3.48Å; G1344-I1405 PolarHBondContact O-N 3.45Å; L1346-I1405 HydrophobicContact CD1-CG2 3.65Å; L1346-I1405 HydrophobicContact CD2-CD1 3.59Å; L1346-I1405 HydrophobicContact CD2-CG1 4.46Å; L1346-I1405 HydrophobicContact CG-CD1 3.64Å; L1346-I1405 HydrophobicContact CG-CG1 3.96Å; L1346-I1405 HydrophobicContact CG-CG2 3.75Å; I1405-Y1407 HydrophobicContact CD1-CD2 4.15Å; I1405-Y1407 HydrophobicContact CD1-CE2 3.42Å; I1405-Y1407 VanDerWaalsContact CD1-CE2 3.42Å
1406V94.9Very high89.8Confident3 Ų327.2 Ų27.22%0.01812%0.117CC..EExtended strand (participates in β ladder)trans-129.5115.9-178.9178.90000110.4T1190 R1191 F1341 C1343 I1387T1190-V1406 CarbonylContact C-O 3.58Å; T1190-V1406 VanDerWaalsContact CA-O 3.26Å; T1190-V1406 WeakPolarHBondContact CA-O 3.39Å; T1190-V1406 WeakPolarHBondContact CB-O 3.21Å; T1190-V1406 HydrophobicContact CG2-CB 3.97Å; T1190-V1406 HydrophobicContact CG2-CG1 3.61Å; R1191-V1406 VanDerWaalsContact CG-O 3.25Å; R1191-V1406 WeakPolarHBondContact CG-O 3.41Å; R1191-V1406 PolarHBondContact N-O 2.8Å; F1341-V1406 HydrophobicContact CB-CG1 3.72Å; F1341-V1406 HydrophobicContact CD2-CG1 3.33Å; F1341-V1406 HydrophobicContact CE2-CG1 3.97Å; F1341-V1406 HydrophobicContact CG-CG1 3.66Å; C1343-V1406 HydrophobicContact CB-CG2 4.15Å; I1387-V1406 HydrophobicContact CD1-CG2 3.66Å
1407Y93.9Very high89.1Confident1 Ų128 Ų280%0.00412%0.122CC..EExtended strand (participates in β ladder)trans-88.8142.5171.4-71-85.2000111.5I1169 R1191 F1193 G1317 T1329 L1331 F1341 V1342 I1405I1169-Y1407 HydrophobicContact CD1-CE1 4.36Å; R1191-Y1407 HydrophobicContact CB-CD1 4.44Å; R1191-Y1407 VanDerWaalsContact CD-CE1 3.41Å; R1191-Y1407 HydrophobicContact CG-CD1 3.63Å; R1191-Y1407 HydrophobicContact CG-CE1 3.84Å; R1191-Y1407 HydrophobicContact CG-CG 4.01Å; R1191-Y1407 CarbonylContact O-C 3.57Å; R1191-Y1407 WeakPolarHBondContact O-CA 3.23Å; F1193-Y1407 HydrophobicContact CE1-CD1 4.22Å; F1193-Y1407 AromaticContact CE1-CE1 3.68Å; F1193-Y1407 HydrophobicContact CE1-CE1 3.68Å; F1193-Y1407 AromaticContact CE2-CD1 3.73Å; F1193-Y1407 HydrophobicContact CE2-CD1 3.73Å; F1193-Y1407 HydrophobicContact CE2-CE1 4.06Å; F1193-Y1407 HydrophobicContact CE2-CG 4.49Å; F1193-Y1407 AromaticContact CZ-CD1 3.44Å; F1193-Y1407 HydrophobicContact CZ-CD1 3.44Å; F1193-Y1407 VanDerWaalsContact CZ-CD1 3.44Å; F1193-Y1407 AromaticContact CZ-CE1 3.31Å; F1193-Y1407 HydrophobicContact CZ-CE1 3.31Å; F1193-Y1407 HydrophobicContact CZ-CG 4.28Å; G1317-Y1407 WeakPolarHBondContact O-CE2 3.3Å; G1317-Y1407 PolarHBondContact O-OH 3.07Å; G1317-Y1407 VanDerWaalsContact O-OH 3.1Å; T1329-Y1407 HydrophobicContact CG2-CE1 4.43Å; T1329-Y1407 HydrophobicContact CG2-CE2 4.03Å; L1331-Y1407 HydrophobicContact CB-CD2 4.11Å; L1331-Y1407 HydrophobicContact CD1-CD2 3.83Å; L1331-Y1407 HydrophobicContact CD1-CE2 4.15Å; F1341-Y1407 CarbonylContact C-O 3.55Å; F1341-Y1407 WeakPolarHBondContact CA-O 3.25Å; F1341-Y1407 VanDerWaalsContact CB-O 3.25Å; F1341-Y1407 WeakPolarHBondContact CB-O 3.42Å; V1342-Y1407 PolarHBondContact N-O 3.49Å; V1342-Y1407 PolarHBondContact O-N 3.42Å; I1405-Y1407 HydrophobicContact CD1-CD2 4.15Å; I1405-Y1407 HydrophobicContact CD1-CE2 3.42Å; I1405-Y1407 VanDerWaalsContact CD1-CE2 3.42Å
1408G90.8Very high88.6Confident1 Ų124.4 Ų24.41%0.0111%0.107CC..EExtended strand (participates in β ladder)trans107.3-156178.600000113.4T1190 R1191T1190-G1408 VanDerWaalsContact CB-O 3.29Å; T1190-G1408 WeakPolarHBondContact CB-O 3.27Å; T1190-G1408 PolarHBondContact OG1-O 3.4Å; R1191-G1408 PolarHBondContact O-N 3.18Å
1409I87.4Confident88.2Confident4 Ų424.5 Ų24.52%0.02111%0.108CC..SBendtrans-102.9142.2-176.750.2169.9000111.3V1198 H1201 L1202 Q1205 P1340 S1411V1198-I1409 HydrophobicContact CG1-CG2 4.36Å; H1201-I1409 HydrophobicContact CB-CD1 4.25Å; H1201-I1409 HydrophobicContact CB-CG1 4.36Å; H1201-I1409 HydrophobicContact CB-CG2 4.15Å; L1202-I1409 HydrophobicContact CD2-CD1 4.24Å; L1202-I1409 HydrophobicContact CD2-CG2 4.06Å; L1202-I1409 HydrophobicContact CG-CG2 4.16Å; Q1205-I1409 HydrophobicContact CG-CD1 3.44Å; Q1205-I1409 VanDerWaalsContact CG-CD1 3.44Å; P1340-I1409 WeakPolarHBondContact O-CG1 3.21Å; P1340-I1409 PolarHBondContact O-N 3.13Å; I1409-S1411 PolarHBondContact O-N 2.93Å
1410P82.1Confident87.6Confident2 Ų230.6 Ų30.61%0.01314%0.135CC..  trans-56.3133.1178.9-28.938.4000113.1T1188 T1190 L1225T1188-P1410 HydrophobicContact CG2-CB 3.8Å; T1188-P1410 HydrophobicContact CG2-CG 4Å; T1190-P1410 HydrophobicContact CG2-CG 3.85Å; L1225-P1410 HydrophobicContact CD1-CB 4.18Å; L1225-P1410 HydrophobicContact CD2-CB 4.16Å; L1225-P1410 WeakPolarHBondContact CG-O 3.43Å
1411S84.4Confident86.9Confident2 Ų231.6 Ų31.61%0.01414%0.139CC..  trans-141.1146.9178.2179.10000109.4C1226 F1341 I1409C1226-S1411 WeakPolarHBondContact O-CA 3.36Å; C1226-S1411 VanDerWaalsContact O-CB 3.26Å; C1226-S1411 WeakPolarHBondContact O-CB 3.39Å; C1226-S1411 PolarHBondContact O-OG 3.14Å; F1341-S1411 WeakPolarHBondContact CE1-O 3.39Å; I1409-S1411 PolarHBondContact O-N 2.93Å
1412E86.4Confident85.9Confident21 Ų2133.1 Ų33.110%0.09815%0.149CC..EExtended strand (participates in β ladder)trans-136.5146.3-170.5-68.3-80-14700111.5L1225 C1226 S1227 F1228 W1365 R1380 T1382 L1383L1225-E1412 HydrophobicContact CD2-CB 4.11Å; L1225-E1412 HydrophobicContact CD2-CG 3.41Å; L1225-E1412 VanDerWaalsContact CD2-CG 3.41Å; C1226-E1412 PolarHBondContact O-N 2.95Å; S1227-E1412 WeakPolarHBondContact CA-O 3.21Å; S1227-E1412 VanDerWaalsContact CB-O 3.27Å; S1227-E1412 WeakPolarHBondContact CB-O 3.2Å; F1228-E1412 VanDerWaalsContact CE1-C 3.44Å; F1228-E1412 PolarHBondContact N-O 3.37Å; W1365-E1412 PolarHBondContact NE1-OE2 3.43Å; R1380-E1412 IonicContact CZ-OE2 2.76Å; R1380-E1412 IonicContact NH1-OE2 2.65Å; R1380-E1412 PolarHBondContact NH1-OE2 2.95Å; R1380-E1412 IonicContact NH2-OE1 2.63Å; R1380-E1412 PolarHBondContact NH2-OE1 3.05Å; R1380-E1412 VanDerWaalsContact NH2-OE1 3.11Å; R1380-E1412 IonicContact NH2-OE2 3.94Å; R1380-E1412 PolarHBondContact NH2-OE2 3.22Å; T1382-E1412 WeakPolarHBondContact CA-OE1 3.41Å; T1382-E1412 WeakPolarHBondContact CB-OE1 3.38Å; L1383-E1412 PolarHBondContact N-OE1 3.1Å; L1383-E1412 PolarHBondContact N-OE2 3.38Å
1413P86.4Confident84.6Confident6 Ų636.3 Ų36.34%0.03917%0.174CC..EExtended strand (participates in β ladder)trans-67.7140.5-17827-34.8000112F1228 P1230 L1366 R1415 L1418F1228-P1413 HydrophobicContact CE1-CB 4.11Å; F1228-P1413 VanDerWaalsContact CE1-N 3.35Å; F1228-P1413 HydrophobicContact CE2-CB 4.29Å; F1228-P1413 HydrophobicContact CZ-CB 3.81Å; F1228-P1413 HydrophobicContact CZ-CG 4.37Å; P1230-P1413 HydrophobicContact CB-CB 4.23Å; P1230-P1413 HydrophobicContact CG-CB 3.79Å; L1366-P1413 HydrophobicContact CD2-CB 4.05Å; L1366-P1413 HydrophobicContact CD2-CG 3.97Å; P1413-R1415 PolarHBondContact O-N 2.96Å; P1413-L1418 HydrophobicContact CB-CD2 4.02Å; P1413-L1418 HydrophobicContact CG-CD2 3.84Å
1414K84.1Confident82.9Confident91 Ų9140 Ų4040%0.39620%0.2SC..  trans-59.2121.2177.5-73.9177.3-178.7176.90111.3S1227 F1228 K1416 S1417S1227-K1414 WeakPolarHBondContact O-CE 3.46Å; S1227-K1414 WeakPolarHBondContact OG-CE 3.38Å; S1227-K1414 WeakPolarHBondContact OG-CG 3.38Å; F1228-K1414 WeakPolarHBondContact O-CG 3.28Å; F1228-K1414 PolarHBondContact O-N 3.42Å; K1414-K1416 PolarHBondContact O-N 3.27Å; K1414-K1416 VanDerWaalsContact O-N 3.09Å; K1414-S1417 PolarHBondContact O-N 3.24Å
1415R73.8Confident81.1Confident157 Ų15741.3 Ų41.359%0.59221%0.207SC*.G310 helixtrans-45.8-44-179.4-70.9-175.9178.4176.1-1.1112.8D1154 P1413 S1417D1154-R1415 IonicContact OD1-CZ 3.05Å; D1154-R1415 IonicContact OD1-NH2 2.74Å; D1154-R1415 PolarHBondContact OD1-NH2 3.01Å; D1154-R1415 IonicContact OD2-NH2 2.71Å; P1413-R1415 PolarHBondContact O-N 2.96Å; R1415-S1417 VanDerWaalsContact C-N 3.27Å; R1415-S1417 PolarHBondContact O-N 2.99Å
1416K76.9Confident79.2Confident149 Ų14945.4 Ų45.465%0.64823%0.232SC*.G310 helixtrans-61.5-29.1-179.2-65.7171.5178.8169.20113.3E1221 K1414E1221-K1416 IonicContact OE1-NZ 2.98Å; E1221-K1416 PolarHBondContact OE1-NZ 2.8Å; E1221-K1416 IonicContact OE2-NZ 3.37Å; E1221-K1416 PolarHBondContact OE2-NZ 3.24Å; K1414-K1416 PolarHBondContact O-N 3.27Å; K1414-K1416 VanDerWaalsContact O-N 3.09Å
1417S80.5Confident77.2Confident17 Ų1754.2 Ų54.212%0.11927%0.27CS..G310 helixtrans-107.515.6-172.1-71.30000115.1N1229 P1230 E1231 K1414 R1415N1229-S1417 PolarHBondContact ND2-OG 2.84Å; N1229-S1417 WeakPolarHBondContact OD1-CB 3.38Å; N1229-S1417 PolarHBondContact OD1-OG 3.22Å; P1230-S1417 WeakPolarHBondContact CG-O 3.43Å; E1231-S1417 VanDerWaalsContact CD-CB 3.44Å; E1231-S1417 WeakPolarHBondContact CG-O 3.42Å; E1231-S1417 WeakPolarHBondContact OE2-CB 3.48Å; E1231-S1417 PolarHBondContact OE2-OG 3.04Å; K1414-S1417 PolarHBondContact O-N 3.24Å; R1415-S1417 VanDerWaalsContact C-N 3.27Å; R1415-S1417 PolarHBondContact O-N 2.99Å
1418L83.7Confident75.1Confident20 Ų2064.3 Ų64.311%0.10531%0.314CS..  trans-62.5145.8178.8-68.6171.5000112.3K1368 P1413K1368-L1418 HydrophobicContact CD-CB 4.4Å; K1368-L1418 WeakPolarHBondContact CD-O 3.39Å; K1368-L1418 WeakPolarHBondContact CE-O 3.45Å; K1368-L1418 HydrophobicContact CG-CB 3.52Å; K1368-L1418 PolarHBondContact NZ-O 3.38Å; P1413-L1418 HydrophobicContact CB-CD2 4.02Å; P1413-L1418 HydrophobicContact CG-CD2 3.84Å
1419L85.4Confident74.3Confident9 Ų967.5 Ų67.55%0.04733%0.329CS..BIsolated β-bridgetrans-89.3140.7-167.9-55.4176.3000112P1230 E1231 L1257 W1260 L1366 G1367 K1368 F1421P1230-L1419 HydrophobicContact CB-CD1 4.37Å; P1230-L1419 HydrophobicContact CB-CG 4.45Å; P1230-L1419 HydrophobicContact CG-CG 4.46Å; E1231-L1419 HydrophobicContact CG-CD2 3.86Å; L1257-L1419 HydrophobicContact CD1-CD1 4.25Å; L1257-L1419 HydrophobicContact CD2-CB 4.18Å; L1257-L1419 HydrophobicContact CD2-CD1 4.34Å; W1260-L1419 HydrophobicContact CZ2-CD1 3.53Å; L1366-L1419 HydrophobicContact CB-CD1 4.18Å; L1366-L1419 HydrophobicContact CD1-CD1 4.33Å; L1366-L1419 PolarHBondContact O-N 3.35Å; G1367-L1419 CarbonylContact C-O 3.59Å; G1367-L1419 WeakPolarHBondContact CA-O 3.28Å; K1368-L1419 PolarHBondContact N-O 3.01Å; L1419-F1421 HydrophobicContact CB-CD2 4.43Å; L1419-F1421 HydrophobicContact CB-CE2 4.15Å; L1419-F1421 HydrophobicContact CD1-CZ 4.45Å; L1419-F1421 PolarHBondContact O-N 3.06Å
1420K82.3Confident73.6Confident128 Ų12870.8 Ų70.856%0.55735%0.345SS*.  trans-88.594.8167.6-72.1-155.3171.8-161.60109.5K1368 D1372K1368-K1420 HydrophobicContact CB-CG 4.49Å; K1368-K1420 HydrophobicContact CD-CG 4.02Å; D1372-K1420 IonicContact OD1-NZ 4Å; D1372-K1420 PolarHBondContact OD1-NZ 3.12Å; D1372-K1420 IonicContact OD2-NZ 2.71Å; D1372-K1420 PolarHBondContact OD2-NZ 3.2Å
1421F80Confident73.1Confident21 Ų2174.7 Ų74.79%0.09236%0.364CS..  trans-66.9148.1171.2-74.7-88.4000111I1253 L1257 L1362 T1363 L1366 L1419 S1423I1253-F1421 HydrophobicContact CG2-CD1 4.04Å; I1253-F1421 HydrophobicContact CG2-CE1 4.17Å; L1257-F1421 HydrophobicContact CD1-CE1 4.12Å; L1362-F1421 HydrophobicContact CB-CZ 4.27Å; L1362-F1421 WeakPolarHBondContact O-CE2 3.12Å; T1363-F1421 HydrophobicContact CG2-CD2 4.49Å; L1366-F1421 HydrophobicContact CB-CE2 4.08Å; L1366-F1421 HydrophobicContact CB-CZ 4.35Å; L1419-F1421 HydrophobicContact CB-CD2 4.43Å; L1419-F1421 HydrophobicContact CB-CE2 4.15Å; L1419-F1421 HydrophobicContact CD1-CZ 4.45Å; L1419-F1421 PolarHBondContact O-N 3.06Å; F1421-S1423 PolarHBondContact O-N 3.11Å
1422P72.7Confident72.4Confident33 Ų3378.9 Ų78.921%0.21439%0.385CS..  trans-58.6136.9179.5-23.831.8000113.1N1256 S1424 L1425 V1426N1256-P1422 HydrophobicContact CB-CG 4.37Å; P1422-S1424 PolarHBondContact O-N 3.2Å; P1422-S1424 VanDerWaalsContact O-N 3.08Å; P1422-L1425 HydrophobicContact CB-CD1 4.06Å; P1422-L1425 HydrophobicContact CG-CD1 3.9Å; P1422-L1425 WeakPolarHBondContact O-CB 3.46Å; P1422-L1425 PolarHBondContact O-N 3.36Å; P1422-V1426 PolarHBondContact O-N 3.32Å
1423S65Low71.6Confident92 Ų9282.6 Ų82.664%0.64340%0.402SS*.Hα-helixtrans-63.6-17.5-177.656.70000114.3F1421 L1425 K1427F1421-S1423 PolarHBondContact O-N 3.11Å; S1423-L1425 VanDerWaalsContact C-N 3.28Å; S1423-K1427 WeakPolarHBondContact O-CG 3.47Å
1424S60.9Low70.6Confident79 Ų7987.7 Ų87.755%0.55243%0.427SS*.Hα-helixtrans-75.1-12.2171.157.30000114.4P1422P1422-S1424 PolarHBondContact O-N 3.2Å; P1422-S1424 VanDerWaalsContact O-N 3.08Å
1425L56.6Low69.6Low29 Ų2987.4 Ų87.415%0.15243%0.429CS..Hα-helixtrans-100.2-37174.2-73.2151.1000111.7I1253 L1359 P1422 S1423 K1427 K1428I1253-L1425 HydrophobicContact CB-CD1 4.42Å; I1253-L1425 HydrophobicContact CD1-CD1 3.93Å; I1253-L1425 HydrophobicContact CD1-CD2 3.79Å; I1253-L1425 HydrophobicContact CG1-CD1 3.76Å; I1253-L1425 HydrophobicContact CG1-CD2 4.32Å; I1253-L1425 HydrophobicContact CG2-CD1 4.09Å; L1359-L1425 HydrophobicContact CD1-CD2 4.15Å; L1359-L1425 HydrophobicContact CD2-CD2 4.14Å; P1422-L1425 HydrophobicContact CB-CD1 4.06Å; P1422-L1425 HydrophobicContact CG-CD1 3.9Å; P1422-L1425 WeakPolarHBondContact O-CB 3.46Å; P1422-L1425 PolarHBondContact O-N 3.36Å; S1423-L1425 VanDerWaalsContact C-N 3.28Å; L1425-K1427 PolarHBondContact O-N 3.21Å; L1425-K1427 VanDerWaalsContact O-N 3.14Å; L1425-K1428 PolarHBondContact O-N 3.26Å
1426V54.6Low69.3Low89 Ų8982.1 Ų82.154%0.53942%0.416SS..Hα-helixtrans-62.3-20.3174.9-175.30000112.3T1363 P1422T1363-V1426 HydrophobicContact CG2-CG2 4.44Å; P1422-V1426 PolarHBondContact O-N 3.32Å
1427K53.5Low68.7Low188 Ų18876.5 Ų76.582%0.81740%0.397SS*.THydrogen-bonded Turntrans-91.78174.6-67.5-175.2-179.6-173.20115S1423 L1425S1423-K1427 WeakPolarHBondContact O-CG 3.47Å; L1425-K1427 PolarHBondContact O-N 3.21Å; L1425-K1427 VanDerWaalsContact O-N 3.14Å
1428K48.9Very low67.6Low213 Ų21381.9 Ų81.993%0.92642%0.422SS*.  trans-118.10-178.8-76.4-175.2177.6178.50113.1L1425L1425-K1428 PolarHBondContact O-N 3.26Å

Retrieved 1,428 of 1,428 residues in 1094 ms (Link to these results)

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