A0A077Z024_TRITR Loading...

G protein signaling modulator 1

AlphaFold DB , UniProt , Accession A0A077Z024, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 594 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
1M55.3Low72.4Confident178 Ų17880.5 Ų80.588%0.87744%0.44SS*.  0-62.70-95.5-178.278.900112.7V3 T4 M5M1-V3 PolarHBondContact O-N 3.33Å; M1-T4 VanDerWaalsContact C-OG1 3.28Å; M1-T4 WeakPolarHBondContact CA-OG1 3.39Å; M1-T4 PolarHBondContact N-OG1 2.84Å; M1-T4 PolarHBondContact O-N 3.29Å; M1-T4 PolarHBondContact O-OG1 3.08Å; M1-M5 WeakPolarHBondContact O-CG 3.45Å; M1-M5 PolarHBondContact O-N 3.24Å
2A61Low73.3Confident55 Ų5576.8 Ų76.846%0.45542%0.422SS..Hα-helixtrans-57.7-47.1-176.700000113.3T4 M5 I16A2-T4 VanDerWaalsContact C-N 3.32Å; A2-T4 PolarHBondContact O-N 3.19Å; A2-M5 PolarHBondContact O-N 3.3Å; A2-I16 HydrophobicContact CB-CD1 3.88Å; A2-I16 HydrophobicContact CB-CG1 4.28Å; A2-I16 HydrophobicContact CB-CG2 4.12Å
3V65.8Low74.3Confident28 Ų2871 Ų7117%0.1739%0.39CS..Hα-helixtrans-64-34.1175.3173.30000112.8M1 I16 Y17 L20 P473 G474M1-V3 PolarHBondContact O-N 3.33Å; V3-I16 HydrophobicContact CG2-CG2 3.94Å; V3-Y17 HydrophobicContact CG2-CE1 4.21Å; V3-L20 HydrophobicContact CG2-CD1 3.62Å; V3-P473 HydrophobicContact CG1-CB 4.01Å; V3-P473 WeakPolarHBondContact CG1-O 3.41Å; V3-G474 WeakPolarHBondContact O-CA 3.48Å
4T71Confident75.1Confident115 Ų11565.9 Ų65.971%0.70636%0.362SS*.Hα-helixtrans-79.5-28.3-176.751.70000113.1M1 A2 G6M1-T4 VanDerWaalsContact C-OG1 3.28Å; M1-T4 WeakPolarHBondContact CA-OG1 3.39Å; M1-T4 PolarHBondContact N-OG1 2.84Å; M1-T4 PolarHBondContact O-N 3.29Å; M1-T4 PolarHBondContact O-OG1 3.08Å; A2-T4 VanDerWaalsContact C-N 3.32Å; A2-T4 PolarHBondContact O-N 3.19Å; T4-G6 PolarHBondContact O-N 3.31Å
5M70.1Confident75.7Confident102 Ų10263.7 Ų63.750%0.50235%0.351SS..Hα-helixtrans-68.9-27.8174.4-70.4179.578.800111.5M1 A2 I423 Q476M1-M5 WeakPolarHBondContact O-CG 3.45Å; M1-M5 PolarHBondContact O-N 3.24Å; A2-M5 PolarHBondContact O-N 3.3Å; M5-I423 HydrophobicContact CE-CG2 4.23Å; M5-Q476 PolarHBondContact O-NE2 3.39Å
6G71.9Confident76.3Confident20 Ų2061.9 Ų61.921%0.20634%0.34CS..  trans72.5151.7-175.900000112.3T4 G474T4-G6 PolarHBondContact O-N 3.31Å; G6-G474 CarbonylContact C-O 3.38Å; G6-G474 WeakPolarHBondContact CA-O 3.4Å
7T76.5Confident77.1Confident25 Ų2558.3 Ų58.315%0.15332%0.32CS..BIsolated β-bridgetrans-147.6149172-176.70000109.9D9 L13 G474 Q476T7-D9 PolarHBondContact OG1-N 2.78Å; T7-D9 VanDerWaalsContact OG1-N 3.09Å; T7-L13 HydrophobicContact CG2-CB 3.75Å; T7-L13 HydrophobicContact CG2-CD1 4.21Å; T7-L13 HydrophobicContact CG2-CG 4.38Å; T7-G474 PolarHBondContact N-O 2.94Å; T7-Q476 PolarHBondContact O-N 3.34Å
8D77.6Confident77.6Confident128 Ų12855.5 Ų55.568%0.68431%0.306SS*.SBendtrans-86.8-16.9168.259.7-24.1000112.2K10D8-K10 PolarHBondContact O-N 2.96Å; D8-K10 VanDerWaalsContact O-N 3.1Å
9D83.2Confident78.1Confident67 Ų6756.3 Ų56.336%0.35831%0.307SS..  trans-77.695.9174.9-170.6-23.7000111.2T7 K11 V12 L13T7-D9 PolarHBondContact OG1-N 2.78Å; T7-D9 VanDerWaalsContact OG1-N 3.09Å; D9-K11 PolarHBondContact O-N 3.41Å; D9-K11 WeakPolarHBondContact OD1-CA 3.28Å; D9-K11 WeakPolarHBondContact OD1-CB 3.22Å; D9-K11 PolarHBondContact OD1-N 2.82Å; D9-V12 HydrophobicContact CB-CB 4.02Å; D9-V12 HydrophobicContact CB-CG2 4.04Å; D9-V12 PolarHBondContact O-N 3.24Å; D9-V12 PolarHBondContact OD1-N 2.89Å; D9-V12 VanDerWaalsContact OD1-N 3.09Å; D9-V12 VanDerWaalsContact OD2-CG2 3.3Å; D9-V12 WeakPolarHBondContact OD2-CG2 3.18Å; D9-L13 PolarHBondContact O-N 3.05Å
10K83.5Confident78.6Confident58 Ų5856.1 Ų56.125%0.25231%0.305SS..Hα-helixtrans-57.5-30.2176.7-67.2179.9-175.7179.80113.6D8 S14 L43 V47 L469 L475D8-K10 PolarHBondContact O-N 2.96Å; D8-K10 VanDerWaalsContact O-N 3.1Å; K10-S14 WeakPolarHBondContact O-CB 3.27Å; K10-S14 PolarHBondContact O-N 3.38Å; K10-L43 HydrophobicContact CB-CD2 4.19Å; K10-L43 HydrophobicContact CG-CD2 4.19Å; K10-V47 HydrophobicContact CB-CG1 3.42Å; K10-V47 VanDerWaalsContact CB-CG1 3.42Å; K10-V47 HydrophobicContact CD-CG1 3.86Å; K10-V47 HydrophobicContact CG-CG1 4.28Å; K10-L469 HydrophobicContact CD-CD1 4.37Å; K10-L475 HydrophobicContact CG-CD1 3.97Å
11K81.1Confident79Confident109 Ų10953.4 Ų53.447%0.47429%0.29SS..Hα-helixtrans-74.6-43.2179.6-170.5178.4-179.9-176.80110.3D9 L13 S14 V15D9-K11 PolarHBondContact O-N 3.41Å; D9-K11 WeakPolarHBondContact OD1-CA 3.28Å; D9-K11 WeakPolarHBondContact OD1-CB 3.22Å; D9-K11 PolarHBondContact OD1-N 2.82Å; K11-L13 VanDerWaalsContact C-N 3.33Å; K11-S14 PolarHBondContact O-N 3.46Å; K11-V15 WeakPolarHBondContact O-CG2 3.19Å; K11-V15 PolarHBondContact O-N 2.97Å; K11-V15 VanDerWaalsContact O-N 3.12Å
12V83.1Confident80.3Confident37 Ų3745.1 Ų45.122%0.22425%0.25CS..Hα-helixtrans-61.2-44.2172.7171.40000110.4D9 S14 V15 I16D9-V12 HydrophobicContact CB-CB 4.02Å; D9-V12 HydrophobicContact CB-CG2 4.04Å; D9-V12 PolarHBondContact O-N 3.24Å; D9-V12 PolarHBondContact OD1-N 2.89Å; D9-V12 VanDerWaalsContact OD1-N 3.09Å; D9-V12 VanDerWaalsContact OD2-CG2 3.3Å; D9-V12 WeakPolarHBondContact OD2-CG2 3.18Å; V12-S14 PolarHBondContact O-N 3.4Å; V12-V15 PolarHBondContact O-N 2.86Å; V12-I16 HydrophobicContact CG1-CD1 3.85Å; V12-I16 HydrophobicContact CG1-CG1 4.49Å; V12-I16 WeakPolarHBondContact O-CG1 3.28Å; V12-I16 PolarHBondContact O-N 2.96Å
13L85.9Confident81.4Confident1 Ų145 Ų451%0.00525%0.249CC..Hα-helixtrans-64.3-39.9178.7-169.859.6000112.8T7 D9 K11 V15 I16 Y17 L43 L475T7-L13 HydrophobicContact CG2-CB 3.75Å; T7-L13 HydrophobicContact CG2-CD1 4.21Å; T7-L13 HydrophobicContact CG2-CG 4.38Å; D9-L13 PolarHBondContact O-N 3.05Å; K11-L13 VanDerWaalsContact C-N 3.33Å; L13-V15 VanDerWaalsContact C-N 3.34Å; L13-V15 PolarHBondContact O-N 3.38Å; L13-I16 PolarHBondContact O-N 3.05Å; L13-Y17 HydrophobicContact CD1-CD1 4.44Å; L13-Y17 HydrophobicContact CD1-CE1 3.91Å; L13-Y17 HydrophobicContact CD1-CE2 4.17Å; L13-Y17 HydrophobicContact CD2-CE2 4.04Å; L13-Y17 HydrophobicContact CG-CD2 4.19Å; L13-Y17 HydrophobicContact CG-CE1 4.33Å; L13-Y17 HydrophobicContact CG-CE2 3.66Å; L13-Y17 WeakPolarHBondContact O-CD2 3.42Å; L13-Y17 PolarHBondContact O-N 2.99Å; L13-L43 HydrophobicContact CB-CD1 3.71Å; L13-L43 HydrophobicContact CD2-CD1 3.81Å; L13-L43 HydrophobicContact CG-CD1 3.59Å; L13-L475 HydrophobicContact CD2-CB 3.78Å; L13-L475 HydrophobicContact CD2-CD1 3.97Å; L13-L475 HydrophobicContact CD2-CG 4.48Å
14S85Confident82.5Confident0 Ų046.6 Ų46.60%025%0.252CS..Hα-helixtrans-56.9-46.8171.9157.40000111.3K10 K11 V12 I16 Y17 S18 D40K10-S14 WeakPolarHBondContact O-CB 3.27Å; K10-S14 PolarHBondContact O-N 3.38Å; K11-S14 PolarHBondContact O-N 3.46Å; V12-S14 PolarHBondContact O-N 3.4Å; S14-I16 PolarHBondContact O-N 3.34Å; S14-Y17 PolarHBondContact O-N 2.91Å; S14-S18 WeakPolarHBondContact O-CB 3.38Å; S14-S18 PolarHBondContact O-N 3.39Å; S14-D40 PolarHBondContact OG-OD1 3.37Å
15V84.2Confident83.1Confident32 Ų3241.6 Ų41.619%0.19422%0.221CC..Hα-helixtrans-61.9-43.4177.3173.60000111.5K11 V12 L13 Y17 S18 Q19 Q416K11-V15 WeakPolarHBondContact O-CG2 3.19Å; K11-V15 PolarHBondContact O-N 2.97Å; K11-V15 VanDerWaalsContact O-N 3.12Å; V12-V15 PolarHBondContact O-N 2.86Å; L13-V15 VanDerWaalsContact C-N 3.34Å; L13-V15 PolarHBondContact O-N 3.38Å; V15-Y17 PolarHBondContact O-N 3.4Å; V15-S18 WeakPolarHBondContact O-CB 3.33Å; V15-S18 PolarHBondContact O-N 3.18Å; V15-Q19 WeakPolarHBondContact O-CG 3.47Å; V15-Q19 PolarHBondContact O-N 2.85Å; V15-Q416 HydrophobicContact CG1-CG 3.93Å
16I85.5Confident83.6Confident36 Ų3640 Ų4019%0.18521%0.209CC..Hα-helixtrans-59-49176.9-69.8162.2000110.6A2 V3 V12 L13 S14 S18 Q19 L20A2-I16 HydrophobicContact CB-CD1 3.88Å; A2-I16 HydrophobicContact CB-CG1 4.28Å; A2-I16 HydrophobicContact CB-CG2 4.12Å; V3-I16 HydrophobicContact CG2-CG2 3.94Å; V12-I16 HydrophobicContact CG1-CD1 3.85Å; V12-I16 HydrophobicContact CG1-CG1 4.49Å; V12-I16 WeakPolarHBondContact O-CG1 3.28Å; V12-I16 PolarHBondContact O-N 2.96Å; L13-I16 PolarHBondContact O-N 3.05Å; S14-I16 PolarHBondContact O-N 3.34Å; I16-S18 VanDerWaalsContact C-N 3.33Å; I16-S18 PolarHBondContact O-N 2.96Å; I16-Q19 PolarHBondContact O-N 3.48Å; I16-L20 HydrophobicContact CG2-CD1 3.91Å; I16-L20 HydrophobicContact CG2-CG 4.41Å; I16-L20 WeakPolarHBondContact O-CG 3.34Å; I16-L20 PolarHBondContact O-N 3.43Å
17Y89.6Confident84.2Confident0 Ų044.1 Ų44.10%023%0.23CC..Hα-helixtrans-62.7-39.8177.7-68-29.6000112.5V3 L13 S14 V15 Q19 L20 G21 Y36 Y39 L43 P473V3-Y17 HydrophobicContact CG2-CE1 4.21Å; L13-Y17 HydrophobicContact CD1-CD1 4.44Å; L13-Y17 HydrophobicContact CD1-CE1 3.91Å; L13-Y17 HydrophobicContact CD1-CE2 4.17Å; L13-Y17 HydrophobicContact CD2-CE2 4.04Å; L13-Y17 HydrophobicContact CG-CD2 4.19Å; L13-Y17 HydrophobicContact CG-CE1 4.33Å; L13-Y17 HydrophobicContact CG-CE2 3.66Å; L13-Y17 WeakPolarHBondContact O-CD2 3.42Å; L13-Y17 PolarHBondContact O-N 2.99Å; S14-Y17 PolarHBondContact O-N 2.91Å; V15-Y17 PolarHBondContact O-N 3.4Å; Y17-Q19 VanDerWaalsContact C-N 3.34Å; Y17-Q19 PolarHBondContact O-N 3.03Å; Y17-L20 PolarHBondContact O-N 3.38Å; Y17-G21 PolarHBondContact O-N 3.29Å; Y17-Y36 WeakPolarHBondContact CB-O 3.42Å; Y17-Y36 AromaticContact CD1-CD1 3.63Å; Y17-Y36 HydrophobicContact CD1-CD1 3.63Å; Y17-Y36 HydrophobicContact CD1-CE1 4.03Å; Y17-Y36 HydrophobicContact CE1-CD1 4.23Å; Y17-Y36 HydrophobicContact CE1-CE1 4.26Å; Y17-Y36 HydrophobicContact CG-CD1 4.37Å; Y17-Y39 HydrophobicContact CD1-CD2 4.48Å; Y17-Y39 HydrophobicContact CD2-CG 4.41Å; Y17-Y39 HydrophobicContact CE1-CD2 4.29Å; Y17-Y39 VanDerWaalsContact CE2-CB 3.41Å; Y17-Y39 HydrophobicContact CE2-CG 4.22Å; Y17-L43 HydrophobicContact CD2-CD1 3.6Å; Y17-L43 HydrophobicContact CE2-CD1 3.44Å; Y17-L43 VanDerWaalsContact CE2-CD1 3.44Å; Y17-L43 HydrophobicContact CE2-CG 4.3Å; Y17-P473 WeakPolarHBondContact CE1-O 3.44Å; Y17-P473 PolarHBondContact OH-O 3.39Å
18S86.5Confident84.6Confident8 Ų849.5 Ų49.56%0.05625%0.252CS..Hα-helixtrans-55.9-50.5174.5-148.70000110.7S14 V15 I16 G21 N22 D40S14-S18 WeakPolarHBondContact O-CB 3.38Å; S14-S18 PolarHBondContact O-N 3.39Å; V15-S18 WeakPolarHBondContact O-CB 3.33Å; V15-S18 PolarHBondContact O-N 3.18Å; I16-S18 VanDerWaalsContact C-N 3.33Å; I16-S18 PolarHBondContact O-N 2.96Å; S18-G21 PolarHBondContact O-N 3.18Å; S18-N22 PolarHBondContact O-N 3.08Å; S18-N22 PolarHBondContact O-ND2 3.03Å; S18-N22 PolarHBondContact O-OD1 3.14Å; S18-D40 WeakPolarHBondContact CB-OD2 3.29Å; S18-D40 PolarHBondContact OG-OD2 3.26Å
19Q87.2Confident85.3Confident71 Ų7146.2 Ų46.233%0.33223%0.234SC..Hα-helixtrans-66.4-39.9180-64.7-56.9-2200113V15 I16 Y17 N22 A23V15-Q19 WeakPolarHBondContact O-CG 3.47Å; V15-Q19 PolarHBondContact O-N 2.85Å; I16-Q19 PolarHBondContact O-N 3.48Å; Y17-Q19 VanDerWaalsContact C-N 3.34Å; Y17-Q19 PolarHBondContact O-N 3.03Å; Q19-N22 PolarHBondContact O-N 2.56Å; Q19-A23 WeakPolarHBondContact O-CB 3.3Å; Q19-A23 PolarHBondContact O-N 3.21Å
20L87.4Confident85.7Confident51 Ų5144.3 Ų44.327%0.26722%0.223SC..Hα-helixtrans-62.7-45.2174.2-75.4173.7000111.4V3 I16 Y17 N22 A23 Y24 Y36V3-L20 HydrophobicContact CG2-CD1 3.62Å; I16-L20 HydrophobicContact CG2-CD1 3.91Å; I16-L20 HydrophobicContact CG2-CG 4.41Å; I16-L20 WeakPolarHBondContact O-CG 3.34Å; I16-L20 PolarHBondContact O-N 3.43Å; Y17-L20 PolarHBondContact O-N 3.38Å; L20-N22 VanDerWaalsContact C-N 3.27Å; L20-N22 PolarHBondContact O-N 3.16Å; L20-A23 PolarHBondContact O-N 3.06Å; L20-Y24 WeakPolarHBondContact O-CB 3.4Å; L20-Y24 WeakPolarHBondContact O-CD2 3.29Å; L20-Y24 PolarHBondContact O-N 2.85Å; L20-Y36 HydrophobicContact CB-CD1 3.91Å; L20-Y36 HydrophobicContact CB-CD2 4.26Å; L20-Y36 HydrophobicContact CB-CE1 4.31Å; L20-Y36 HydrophobicContact CB-CG 3.87Å; L20-Y36 HydrophobicContact CD1-CD1 3.87Å; L20-Y36 HydrophobicContact CD1-CE1 3.57Å
21G86.9Confident86.2Confident0 Ų047.1 Ų47.10%024%0.242CC..Hα-helixtrans-56.7-43.717600000111.9Y17 S18 Y24 Y25 A33Y17-G21 PolarHBondContact O-N 3.29Å; S18-G21 PolarHBondContact O-N 3.18Å; G21-Y24 PolarHBondContact O-N 3.03Å; G21-Y25 WeakPolarHBondContact O-CB 3.17Å; G21-Y25 PolarHBondContact O-N 3.31Å; G21-A33 VanDerWaalsContact O-CB 3.28Å; G21-A33 WeakPolarHBondContact O-CB 3.39Å
22N83.2Confident86.7Confident5 Ų546.1 Ų46.13%0.02724%0.237CC..Hα-helixtrans-67.1-43.1177.2-61.1-20.5000113S18 Q19 L20 Y25 Y26 N59 L408S18-N22 PolarHBondContact O-N 3.08Å; S18-N22 PolarHBondContact O-ND2 3.03Å; S18-N22 PolarHBondContact O-OD1 3.14Å; Q19-N22 PolarHBondContact O-N 2.56Å; L20-N22 VanDerWaalsContact C-N 3.27Å; L20-N22 PolarHBondContact O-N 3.16Å; N22-Y25 WeakPolarHBondContact O-CB 3.37Å; N22-Y25 PolarHBondContact O-N 3.4Å; N22-Y26 WeakPolarHBondContact O-CD2 3.26Å; N22-Y26 PolarHBondContact O-N 2.62Å; N22-N59 PolarHBondContact OD1-ND2 3.09Å; N22-L408 HydrophobicContact CB-CD1 3.56Å; N22-L408 HydrophobicContact CB-CD2 3.77Å; N22-L408 HydrophobicContact CB-CG 4.14Å; N22-L408 WeakPolarHBondContact ND2-CD2 3.31Å; N22-L408 WeakPolarHBondContact OD1-CD2 3.43Å
23A83.6Confident87.1Confident52 Ų5244.4 Ų44.443%0.4323%0.226SC..Hα-helixtrans-61.7-45.9176.300000110.9Q19 L20 Y25 Y26 V27Q19-A23 WeakPolarHBondContact O-CB 3.3Å; Q19-A23 PolarHBondContact O-N 3.21Å; L20-A23 PolarHBondContact O-N 3.06Å; A23-Y25 VanDerWaalsContact C-N 3.29Å; A23-Y25 PolarHBondContact O-N 3.36Å; A23-Y26 PolarHBondContact O-N 3.12Å; A23-V27 PolarHBondContact O-N 3.23Å; A23-V27 VanDerWaalsContact O-N 3.11Å
24Y88.6Confident87.5Confident61 Ų6144.8 Ų44.824%0.23923%0.228CC..Hα-helixtrans-62-37.1175.5-82-60.3000112.6L20 G21 V27 K28 N29 K32 Y36L20-Y24 WeakPolarHBondContact O-CB 3.4Å; L20-Y24 WeakPolarHBondContact O-CD2 3.29Å; L20-Y24 PolarHBondContact O-N 2.85Å; G21-Y24 PolarHBondContact O-N 3.03Å; Y24-V27 HydrophobicContact CD1-CG2 4.18Å; Y24-V27 WeakPolarHBondContact O-CG2 3.49Å; Y24-V27 PolarHBondContact O-N 3.32Å; Y24-K28 PolarHBondContact O-N 3.12Å; Y24-N29 HydrophobicContact CD1-CB 4Å; Y24-N29 PolarHBondContact O-N 3.22Å; Y24-K32 HydrophobicContact CD1-CB 3.76Å; Y24-K32 HydrophobicContact CD1-CD 3.91Å; Y24-K32 HydrophobicContact CD1-CG 4.48Å; Y24-K32 HydrophobicContact CD2-CB 3.98Å; Y24-K32 HydrophobicContact CE1-CB 4.13Å; Y24-K32 HydrophobicContact CE1-CD 3.45Å; Y24-K32 VanDerWaalsContact CE1-CD 3.45Å; Y24-K32 HydrophobicContact CE1-CG 4.44Å; Y24-K32 HydrophobicContact CE2-CB 4.35Å; Y24-K32 HydrophobicContact CE2-CD 4.41Å; Y24-K32 HydrophobicContact CG-CB 3.68Å; Y24-Y36 AromaticContact CD2-CD2 3.53Å; Y24-Y36 HydrophobicContact CD2-CD2 3.53Å; Y24-Y36 AromaticContact CD2-CE2 3.74Å; Y24-Y36 HydrophobicContact CD2-CE2 3.74Å; Y24-Y36 AromaticContact CE2-CD2 3.59Å; Y24-Y36 HydrophobicContact CE2-CD2 3.59Å; Y24-Y36 AromaticContact CE2-CE2 3.26Å; Y24-Y36 HydrophobicContact CE2-CE2 3.26Å
25Y84.2Confident88Confident11 Ų1148.6 Ų48.64%0.04325%0.246CC..Hα-helixtrans-61-44.9174.5-179.4-81.4000111.3G21 N22 A23 K28 L30 T63 V66 H404G21-Y25 WeakPolarHBondContact O-CB 3.17Å; G21-Y25 PolarHBondContact O-N 3.31Å; N22-Y25 WeakPolarHBondContact O-CB 3.37Å; N22-Y25 PolarHBondContact O-N 3.4Å; A23-Y25 VanDerWaalsContact C-N 3.29Å; A23-Y25 PolarHBondContact O-N 3.36Å; Y25-K28 WeakPolarHBondContact O-CA 3.44Å; Y25-K28 PolarHBondContact O-N 2.85Å; Y25-L30 HydrophobicContact CD2-CD2 3.91Å; Y25-L30 HydrophobicContact CE2-CD2 4.06Å; Y25-T63 HydrophobicContact CD2-CG2 4.38Å; Y25-T63 WeakPolarHBondContact CD2-OG1 3.41Å; Y25-V66 HydrophobicContact CE2-CG2 4.1Å; Y25-V66 WeakPolarHBondContact OH-CG2 3.47Å; Y25-H404 AromaticContact CE1-CD2 3.21Å; Y25-H404 WeakPolarHBondContact CE1-CD2 3.43Å; Y25-H404 AromaticContact CE1-CE1 3.71Å; Y25-H404 AromaticContact CE1-CG 3.63Å; Y25-H404 AromaticContact CE1-ND1 3.92Å; Y25-H404 AromaticContact CE1-NE2 3.24Å; Y25-H404 WeakPolarHBondContact CE1-NE2 3.46Å; Y25-H404 AromaticContact CZ-CD2 3.86Å; Y25-H404 AromaticContact CZ-CE1 3.57Å; Y25-H404 AromaticContact CZ-NE2 3.36Å; Y25-H404 PolarHBondContact OH-CE1 2.91Å; Y25-H404 PolarHBondContact OH-NE2 3.47Å
26Y80.2Confident88.4Confident68 Ų6848.9 Ų48.927%0.26724%0.244SC..Hα-helixtrans-66.2-37.4179.2-79.9-59.5000114N22 A23 K28 F401 H404 L405 L408N22-Y26 WeakPolarHBondContact O-CD2 3.26Å; N22-Y26 PolarHBondContact O-N 2.62Å; A23-Y26 PolarHBondContact O-N 3.12Å; Y26-K28 PolarHBondContact O-N 3.11Å; Y26-F401 HydrophobicContact CD1-CD2 4.24Å; Y26-F401 AromaticContact CE1-CD2 3.65Å; Y26-F401 HydrophobicContact CE1-CD2 3.65Å; Y26-F401 HydrophobicContact CE1-CE2 4.28Å; Y26-F401 HydrophobicContact CE1-CG 4.44Å; Y26-F401 AromaticContact CZ-CD2 3.93Å; Y26-F401 PolarHBondContact OH-O 2.89Å; Y26-H404 HydrophobicContact CE1-CB 3.8Å; Y26-H404 WeakPolarHBondContact OH-CB 3.36Å; Y26-L405 WeakPolarHBondContact OH-CA 3.48Å; Y26-L405 PolarHBondContact OH-N 3.2Å; Y26-L408 HydrophobicContact CD2-CD1 4.21Å; Y26-L408 HydrophobicContact CE2-CD1 3.21Å; Y26-L408 WeakPolarHBondContact OH-CD1 3.45Å
27V85.7Confident88.8Confident106 Ų10647.3 Ų47.364%0.64224%0.236SC*.THydrogen-bonded Turntrans-78.911.5173.2-570000112.6A23 Y24 N29A23-V27 PolarHBondContact O-N 3.23Å; A23-V27 VanDerWaalsContact O-N 3.11Å; Y24-V27 HydrophobicContact CD1-CG2 4.18Å; Y24-V27 WeakPolarHBondContact O-CG2 3.49Å; Y24-V27 PolarHBondContact O-N 3.32Å; V27-N29 HydrophobicContact CG2-CB 4.23Å; V27-N29 PolarHBondContact O-N 2.72Å; V27-N29 VanDerWaalsContact O-N 3.17Å
28K85.1Confident89Confident139 Ų13952.9 Ų52.960%0.60426%0.257SS*.THydrogen-bonded Turntrans60.419.5178.6-57.2-66.6-174.8173.30114.8Y24 Y25 Y26 L30Y24-K28 PolarHBondContact O-N 3.12Å; Y25-K28 WeakPolarHBondContact O-CA 3.44Å; Y25-K28 PolarHBondContact O-N 2.85Å; Y26-K28 PolarHBondContact O-N 3.11Å; K28-L30 VanDerWaalsContact C-N 3.3Å; K28-L30 PolarHBondContact O-N 3.46Å; K28-L30 VanDerWaalsContact O-N 3.11Å
29N91.3Very high89.3Confident58 Ų5854.6 Ų54.631%0.3126%0.263SS..  trans-86.774.8168.3-164.9-36.3000109.9Y24 V27 N31 K32 A33Y24-N29 HydrophobicContact CD1-CB 4Å; Y24-N29 PolarHBondContact O-N 3.22Å; V27-N29 HydrophobicContact CG2-CB 4.23Å; V27-N29 PolarHBondContact O-N 2.72Å; V27-N29 VanDerWaalsContact O-N 3.17Å; N29-N31 VanDerWaalsContact C-N 3.29Å; N29-N31 PolarHBondContact O-N 2.96Å; N29-K32 HydrophobicContact CB-CB 4.46Å; N29-K32 PolarHBondContact O-N 2.94Å; N29-K32 WeakPolarHBondContact OD1-CB 3.3Å; N29-K32 WeakPolarHBondContact OD1-CG 3.42Å; N29-K32 PolarHBondContact OD1-N 2.82Å; N29-A33 WeakPolarHBondContact O-CB 3.33Å; N29-A33 PolarHBondContact O-N 3.5Å
30L91.6Very high89.6Confident27 Ų2751.2 Ų51.214%0.14125%0.247CC..Hα-helixtrans-65.4-30.4-170.5-58.2177.1000113.3Y25 K28 A33 L34 T63 V66 L67Y25-L30 HydrophobicContact CD2-CD2 3.91Å; Y25-L30 HydrophobicContact CE2-CD2 4.06Å; K28-L30 VanDerWaalsContact C-N 3.3Å; K28-L30 PolarHBondContact O-N 3.46Å; K28-L30 VanDerWaalsContact O-N 3.11Å; L30-A33 WeakPolarHBondContact O-CB 3.3Å; L30-A33 PolarHBondContact O-N 3.04Å; L30-L34 WeakPolarHBondContact O-CB 3.49Å; L30-L34 PolarHBondContact O-N 3.09Å; L30-T63 HydrophobicContact CB-CG2 4.33Å; L30-T63 WeakPolarHBondContact O-CG2 3.42Å; L30-V66 HydrophobicContact CD1-CB 4.07Å; L30-V66 HydrophobicContact CD1-CG1 3.49Å; L30-V66 VanDerWaalsContact CD1-CG1 3.49Å; L30-V66 HydrophobicContact CD2-CB 4.49Å; L30-V66 HydrophobicContact CD2-CG1 4.24Å; L30-L67 HydrophobicContact CB-CD1 4.43Å; L30-L67 HydrophobicContact CB-CD2 3.73Å; L30-L67 HydrophobicContact CB-CG 4.03Å; L30-L67 HydrophobicContact CD1-CD2 3.87Å; L30-L67 HydrophobicContact CD1-CG 4.16Å; L30-L67 HydrophobicContact CG-CD2 4.48Å
31N93.9Very high89.9Confident118 Ų11849.9 Ų49.963%0.63124%0.24SC*.Hα-helixtrans-69.1-47.6177.6-70.1-30.5000111.2N29 A33 L34 E35N29-N31 VanDerWaalsContact C-N 3.29Å; N29-N31 PolarHBondContact O-N 2.96Å; N31-A33 VanDerWaalsContact C-N 3.31Å; N31-A33 PolarHBondContact O-N 2.81Å; N31-L34 PolarHBondContact O-N 3.12Å; N31-E35 PolarHBondContact O-N 2.93Å
32K93.1Very high90.2Very high88 Ų8853 Ų5338%0.38326%0.255SS..Hα-helixtrans-64.5-37.8173.3-72.4-171.2-179.8-1800111.6Y24 N29 L34 E35 Y36Y24-K32 HydrophobicContact CD1-CB 3.76Å; Y24-K32 HydrophobicContact CD1-CD 3.91Å; Y24-K32 HydrophobicContact CD1-CG 4.48Å; Y24-K32 HydrophobicContact CD2-CB 3.98Å; Y24-K32 HydrophobicContact CE1-CB 4.13Å; Y24-K32 HydrophobicContact CE1-CD 3.45Å; Y24-K32 VanDerWaalsContact CE1-CD 3.45Å; Y24-K32 HydrophobicContact CE1-CG 4.44Å; Y24-K32 HydrophobicContact CE2-CB 4.35Å; Y24-K32 HydrophobicContact CE2-CD 4.41Å; Y24-K32 HydrophobicContact CG-CB 3.68Å; N29-K32 HydrophobicContact CB-CB 4.46Å; N29-K32 PolarHBondContact O-N 2.94Å; N29-K32 WeakPolarHBondContact OD1-CB 3.3Å; N29-K32 WeakPolarHBondContact OD1-CG 3.42Å; N29-K32 PolarHBondContact OD1-N 2.82Å; K32-L34 VanDerWaalsContact C-N 3.32Å; K32-L34 PolarHBondContact O-N 3.37Å; K32-E35 WeakPolarHBondContact O-CB 3.48Å; K32-E35 PolarHBondContact O-N 3.36Å; K32-Y36 VanDerWaalsContact O-CD2 3.32Å; K32-Y36 WeakPolarHBondContact O-CD2 3.41Å; K32-Y36 PolarHBondContact O-N 3.45Å; K32-Y36 VanDerWaalsContact O-N 3.09Å
33A91.5Very high90.4Very high0 Ų052.8 Ų52.80%025%0.254CS..Hα-helixtrans-55.8-50174.800000111.2G21 N29 L30 N31 E35 Y36 Q37 T63G21-A33 VanDerWaalsContact O-CB 3.28Å; G21-A33 WeakPolarHBondContact O-CB 3.39Å; N29-A33 WeakPolarHBondContact O-CB 3.33Å; N29-A33 PolarHBondContact O-N 3.5Å; L30-A33 WeakPolarHBondContact O-CB 3.3Å; L30-A33 PolarHBondContact O-N 3.04Å; N31-A33 VanDerWaalsContact C-N 3.31Å; N31-A33 PolarHBondContact O-N 2.81Å; A33-E35 VanDerWaalsContact C-N 3.33Å; A33-E35 PolarHBondContact O-N 3.21Å; A33-Y36 PolarHBondContact O-N 3.23Å; A33-Q37 WeakPolarHBondContact O-CB 3.36Å; A33-Q37 VanDerWaalsContact O-CD 3.29Å; A33-Q37 WeakPolarHBondContact O-CG 3.38Å; A33-Q37 PolarHBondContact O-N 3.36Å; A33-Q37 PolarHBondContact O-OE1 3.15Å; A33-T63 HydrophobicContact CB-CG2 4.2Å
34L93.4Very high90.8Very high9 Ų950.3 Ų50.35%0.04723%0.233CC..Hα-helixtrans-63.8-37.2179.5-172.962.6000112.4L30 N31 K32 R38 I60 T63 L64 L67L30-L34 WeakPolarHBondContact O-CB 3.49Å; L30-L34 PolarHBondContact O-N 3.09Å; N31-L34 PolarHBondContact O-N 3.12Å; K32-L34 VanDerWaalsContact C-N 3.32Å; K32-L34 PolarHBondContact O-N 3.37Å; L34-R38 WeakPolarHBondContact O-CB 3.31Å; L34-R38 VanDerWaalsContact O-CG 3.26Å; L34-R38 WeakPolarHBondContact O-CG 3.34Å; L34-R38 PolarHBondContact O-N 3.46Å; L34-I60 HydrophobicContact CD1-CB 4.47Å; L34-I60 HydrophobicContact CD1-CG1 4.38Å; L34-I60 HydrophobicContact CD1-CG2 3.83Å; L34-T63 HydrophobicContact CB-CG2 3.95Å; L34-T63 HydrophobicContact CD1-CG2 4.42Å; L34-L64 HydrophobicContact CD1-CD2 4.2Å; L34-L64 HydrophobicContact CD1-CG 4.18Å; L34-L64 HydrophobicContact CD2-CD2 4.02Å; L34-L67 HydrophobicContact CD2-CD1 4.08Å
35E94.7Very high90.9Very high80 Ų8053.4 Ų53.437%0.37425%0.245SC..Hα-helixtrans-60.4-56.5176.6-169.9-168.1163.400111.5N31 K32 A33 Q37 R38 Y39N31-E35 PolarHBondContact O-N 2.93Å; K32-E35 WeakPolarHBondContact O-CB 3.48Å; K32-E35 PolarHBondContact O-N 3.36Å; A33-E35 VanDerWaalsContact C-N 3.33Å; A33-E35 PolarHBondContact O-N 3.21Å; E35-Q37 VanDerWaalsContact C-N 3.33Å; E35-Q37 PolarHBondContact O-N 2.99Å; E35-R38 WeakPolarHBondContact O-CB 3.28Å; E35-R38 PolarHBondContact O-N 3.11Å; E35-R38 VanDerWaalsContact O-N 3.09Å; E35-Y39 HydrophobicContact CG-CD2 4.5Å; E35-Y39 HydrophobicContact CG-CE2 3.68Å; E35-Y39 PolarHBondContact O-N 3.35Å; E35-Y39 VanDerWaalsContact O-N 3.08Å; E35-Y39 WeakPolarHBondContact OE1-CE2 3.32Å; E35-Y39 PolarHBondContact OE1-OH 3.39Å
36Y92.4Very high91.2Very high39 Ų3955.1 Ų55.115%0.15326%0.261CS..Hα-helixtrans-64.6-36.8179.9-78.3-73.8000112.5Y17 L20 Y24 K32 A33 R38 Y39 D40Y17-Y36 WeakPolarHBondContact CB-O 3.42Å; Y17-Y36 AromaticContact CD1-CD1 3.63Å; Y17-Y36 HydrophobicContact CD1-CD1 3.63Å; Y17-Y36 HydrophobicContact CD1-CE1 4.03Å; Y17-Y36 HydrophobicContact CE1-CD1 4.23Å; Y17-Y36 HydrophobicContact CE1-CE1 4.26Å; Y17-Y36 HydrophobicContact CG-CD1 4.37Å; L20-Y36 HydrophobicContact CB-CD1 3.91Å; L20-Y36 HydrophobicContact CB-CD2 4.26Å; L20-Y36 HydrophobicContact CB-CE1 4.31Å; L20-Y36 HydrophobicContact CB-CG 3.87Å; L20-Y36 HydrophobicContact CD1-CD1 3.87Å; L20-Y36 HydrophobicContact CD1-CE1 3.57Å; Y24-Y36 AromaticContact CD2-CD2 3.53Å; Y24-Y36 HydrophobicContact CD2-CD2 3.53Å; Y24-Y36 AromaticContact CD2-CE2 3.74Å; Y24-Y36 HydrophobicContact CD2-CE2 3.74Å; Y24-Y36 AromaticContact CE2-CD2 3.59Å; Y24-Y36 HydrophobicContact CE2-CD2 3.59Å; Y24-Y36 AromaticContact CE2-CE2 3.26Å; Y24-Y36 HydrophobicContact CE2-CE2 3.26Å; K32-Y36 VanDerWaalsContact O-CD2 3.32Å; K32-Y36 WeakPolarHBondContact O-CD2 3.41Å; K32-Y36 PolarHBondContact O-N 3.45Å; K32-Y36 VanDerWaalsContact O-N 3.09Å; A33-Y36 PolarHBondContact O-N 3.23Å; Y36-R38 VanDerWaalsContact C-N 3.28Å; Y36-R38 PolarHBondContact O-N 3.23Å; Y36-Y39 HydrophobicContact CD1-CD2 4.06Å; Y36-Y39 PolarHBondContact O-N 2.98Å; Y36-D40 PolarHBondContact O-N 3.49Å
37Q94Very high91.6Very high2 Ų254.5 Ų54.51%0.00927%0.265CS..Hα-helixtrans-64.9-31.3174.7-70.5165.2-7.300112.6A33 E35 L41 N59 I60 T63A33-Q37 WeakPolarHBondContact O-CB 3.36Å; A33-Q37 VanDerWaalsContact O-CD 3.29Å; A33-Q37 WeakPolarHBondContact O-CG 3.38Å; A33-Q37 PolarHBondContact O-N 3.36Å; A33-Q37 PolarHBondContact O-OE1 3.15Å; E35-Q37 VanDerWaalsContact C-N 3.33Å; E35-Q37 PolarHBondContact O-N 2.99Å; Q37-L41 PolarHBondContact O-N 3.18Å; Q37-N59 HydrophobicContact CG-CB 4.17Å; Q37-N59 PolarHBondContact OE1-O 3.12Å; Q37-I60 HydrophobicContact CB-CD1 4.4Å; Q37-I60 HydrophobicContact CB-CG1 3.63Å; Q37-T63 VanDerWaalsContact CD-OG1 3.3Å; Q37-T63 PolarHBondContact NE2-OG1 2.71Å; Q37-T63 VanDerWaalsContact NE2-OG1 3.09Å; Q37-T63 PolarHBondContact OE1-OG1 3.09Å
38R95Very high91.8Very high118 Ų11854.2 Ų54.245%0.44527%0.267SS..Hα-helixtrans-70.1-40.3172.4-77.1171.6173-170.2-2.9111.7L34 E35 Y36 D40 L41 M42 I60L34-R38 WeakPolarHBondContact O-CB 3.31Å; L34-R38 VanDerWaalsContact O-CG 3.26Å; L34-R38 WeakPolarHBondContact O-CG 3.34Å; L34-R38 PolarHBondContact O-N 3.46Å; E35-R38 WeakPolarHBondContact O-CB 3.28Å; E35-R38 PolarHBondContact O-N 3.11Å; E35-R38 VanDerWaalsContact O-N 3.09Å; Y36-R38 VanDerWaalsContact C-N 3.28Å; Y36-R38 PolarHBondContact O-N 3.23Å; R38-D40 VanDerWaalsContact C-N 3.32Å; R38-D40 PolarHBondContact O-N 3.02Å; R38-L41 PolarHBondContact O-N 3.38Å; R38-M42 WeakPolarHBondContact O-CB 3.43Å; R38-M42 VanDerWaalsContact O-CG 3.24Å; R38-M42 WeakPolarHBondContact O-CG 3.42Å; R38-M42 PolarHBondContact O-N 2.99Å; R38-I60 HydrophobicContact CG-CD1 4.29Å
39Y93.4Very high91.9Very high44 Ų4448.8 Ų48.817%0.17325%0.245CC..Hα-helixtrans-61.8-41.4173.7-59.7-37.3000111.9Y17 E35 Y36 M42 L43 L472 P473Y17-Y39 HydrophobicContact CD1-CD2 4.48Å; Y17-Y39 HydrophobicContact CD2-CG 4.41Å; Y17-Y39 HydrophobicContact CE1-CD2 4.29Å; Y17-Y39 VanDerWaalsContact CE2-CB 3.41Å; Y17-Y39 HydrophobicContact CE2-CG 4.22Å; E35-Y39 HydrophobicContact CG-CD2 4.5Å; E35-Y39 HydrophobicContact CG-CE2 3.68Å; E35-Y39 PolarHBondContact O-N 3.35Å; E35-Y39 VanDerWaalsContact O-N 3.08Å; E35-Y39 WeakPolarHBondContact OE1-CE2 3.32Å; E35-Y39 PolarHBondContact OE1-OH 3.39Å; Y36-Y39 HydrophobicContact CD1-CD2 4.06Å; Y36-Y39 PolarHBondContact O-N 2.98Å; Y39-M42 PolarHBondContact O-N 3.46Å; Y39-L43 PolarHBondContact O-N 3.31Å; Y39-L472 HydrophobicContact CD1-CD2 3.41Å; Y39-L472 VanDerWaalsContact CD1-CD2 3.41Å; Y39-L472 HydrophobicContact CE1-CD2 4Å; Y39-L472 HydrophobicContact CG-CD2 4.05Å; Y39-P473 HydrophobicContact CE2-CG 4.22Å
40D92.9Very high91.8Very high0 Ų048.7 Ų48.70%024%0.244CC..Hα-helixtrans-56.4-52171.7-179.522000111.1S14 S18 Y36 R38 M42 L43 A44 A56S14-D40 PolarHBondContact OG-OD1 3.37Å; S18-D40 WeakPolarHBondContact CB-OD2 3.29Å; S18-D40 PolarHBondContact OG-OD2 3.26Å; Y36-D40 PolarHBondContact O-N 3.49Å; R38-D40 VanDerWaalsContact C-N 3.32Å; R38-D40 PolarHBondContact O-N 3.02Å; D40-M42 VanDerWaalsContact C-N 3.31Å; D40-M42 PolarHBondContact O-N 2.89Å; D40-L43 PolarHBondContact O-N 2.94Å; D40-A44 WeakPolarHBondContact O-CB 3.46Å; D40-A44 PolarHBondContact O-N 2.96Å; D40-A56 HydrophobicContact CB-CB 4.38Å
41L93.1Very high91.5Very high23 Ų2350.2 Ų50.212%0.1225%0.252CS..Hα-helixtrans-57.7-41.7178.2-178.366000112.8Q37 R38 R45 E53 A56 I60Q37-L41 PolarHBondContact O-N 3.18Å; R38-L41 PolarHBondContact O-N 3.38Å; L41-R45 WeakPolarHBondContact O-CG 3.38Å; L41-R45 PolarHBondContact O-N 3.08Å; L41-R45 VanDerWaalsContact O-N 3.12Å; L41-E53 HydrophobicContact CD1-CB 4.41Å; L41-E53 HydrophobicContact CD1-CG 3.53Å; L41-A56 HydrophobicContact CB-CB 3.87Å; L41-A56 HydrophobicContact CD1-CB 4.05Å; L41-I60 HydrophobicContact CB-CD1 4.01Å; L41-I60 HydrophobicContact CD2-CD1 3.72Å; L41-I60 HydrophobicContact CG-CD1 4.42Å
42M92.8Very high91.1Very high65 Ų6544.6 Ų44.632%0.3222%0.222SC..Hα-helixtrans-65.1-45.6179.3-73.4174.56500111.8R38 Y39 D40 A46 P470 L472R38-M42 WeakPolarHBondContact O-CB 3.43Å; R38-M42 VanDerWaalsContact O-CG 3.24Å; R38-M42 WeakPolarHBondContact O-CG 3.42Å; R38-M42 PolarHBondContact O-N 2.99Å; Y39-M42 PolarHBondContact O-N 3.46Å; D40-M42 VanDerWaalsContact C-N 3.31Å; D40-M42 PolarHBondContact O-N 2.89Å; M42-A46 WeakPolarHBondContact O-CB 3.45Å; M42-A46 PolarHBondContact O-N 3.39Å; M42-P470 HydrophobicContact CE-CG 3.26Å; M42-L472 HydrophobicContact CE-CD2 4.3Å
43L88.8Confident91Very high0 Ų041.1 Ų41.10%021%0.207CC..Hα-helixtrans-66.6-45.3177.4-76.9179.8000111.8K10 L13 Y17 Y39 D40 R45 A46 V47 L469 L472K10-L43 HydrophobicContact CB-CD2 4.19Å; K10-L43 HydrophobicContact CG-CD2 4.19Å; L13-L43 HydrophobicContact CB-CD1 3.71Å; L13-L43 HydrophobicContact CD2-CD1 3.81Å; L13-L43 HydrophobicContact CG-CD1 3.59Å; Y17-L43 HydrophobicContact CD2-CD1 3.6Å; Y17-L43 HydrophobicContact CE2-CD1 3.44Å; Y17-L43 VanDerWaalsContact CE2-CD1 3.44Å; Y17-L43 HydrophobicContact CE2-CG 4.3Å; Y39-L43 PolarHBondContact O-N 3.31Å; D40-L43 PolarHBondContact O-N 2.94Å; L43-R45 VanDerWaalsContact C-N 3.27Å; L43-R45 PolarHBondContact O-N 2.65Å; L43-A46 PolarHBondContact O-N 2.87Å; L43-V47 WeakPolarHBondContact O-CG2 3.47Å; L43-V47 PolarHBondContact O-N 3.31Å; L43-L469 HydrophobicContact CD2-CD1 4.04Å; L43-L472 HydrophobicContact CD1-CD1 4.45Å; L43-L472 HydrophobicContact CD2-CD1 3.47Å; L43-L472 VanDerWaalsContact CD2-CD1 3.47Å; L43-L472 HydrophobicContact CG-CD1 3.75Å
44A90.2Very high91Very high0 Ų041.3 Ų41.30%021%0.209CC..Hα-helixtrans-55.4-44178.200000111.4D40 V47 S48 D49 E53D40-A44 WeakPolarHBondContact O-CB 3.46Å; D40-A44 PolarHBondContact O-N 2.96Å; A44-V47 PolarHBondContact O-N 3.04Å; A44-S48 PolarHBondContact O-N 3.23Å; A44-S48 VanDerWaalsContact O-N 3.09Å; A44-D49 HydrophobicContact CB-CB 4.43Å; A44-D49 PolarHBondContact O-N 2.88Å; A44-E53 HydrophobicContact CB-CB 4.42Å
45R91.5Very high90.7Very high127 Ų12741.7 Ų41.748%0.47921%0.212SC..Hα-helixtrans-64.2-42.4173.4-75.1177.6169.4169.41.9113.1L41 L43 V47 S48 E53L41-R45 WeakPolarHBondContact O-CG 3.38Å; L41-R45 PolarHBondContact O-N 3.08Å; L41-R45 VanDerWaalsContact O-N 3.12Å; L43-R45 VanDerWaalsContact C-N 3.27Å; L43-R45 PolarHBondContact O-N 2.65Å; R45-V47 VanDerWaalsContact C-N 3.29Å; R45-V47 PolarHBondContact O-N 3.28Å; R45-S48 PolarHBondContact O-N 3.18Å; R45-S48 VanDerWaalsContact O-N 3.09Å; R45-E53 HydrophobicContact CG-CG 3.94Å; R45-E53 IonicContact CZ-OE1 3.23Å; R45-E53 IonicContact NE-OE1 2.76Å; R45-E53 PolarHBondContact NE-OE1 2.92Å; R45-E53 IonicContact NE-OE2 3.58Å; R45-E53 IonicContact NH2-OE1 3.44Å; R45-E53 PolarHBondContact NH2-OE1 3.46Å
46A89.9Confident90.5Very high47 Ų4737.9 Ų37.939%0.38819%0.194SC..Hα-helixtrans-66.2-29.7-178.400000113.5M42 L43 L469M42-A46 WeakPolarHBondContact O-CB 3.45Å; M42-A46 PolarHBondContact O-N 3.39Å; L43-A46 PolarHBondContact O-N 2.87Å; A46-L469 HydrophobicContact CB-CD1 3.98Å; A46-L469 HydrophobicContact CB-CD2 3.86Å; A46-L469 HydrophobicContact CB-CG 4.23Å
47V89.2Confident90.6Very high55 Ų5536.2 Ų36.233%0.33319%0.188SC..THydrogen-bonded Turntrans-95.64.4173.4-580000113.3K10 L43 A44 R45 D49K10-V47 HydrophobicContact CB-CG1 3.42Å; K10-V47 VanDerWaalsContact CB-CG1 3.42Å; K10-V47 HydrophobicContact CD-CG1 3.86Å; K10-V47 HydrophobicContact CG-CG1 4.28Å; L43-V47 WeakPolarHBondContact O-CG2 3.47Å; L43-V47 PolarHBondContact O-N 3.31Å; A44-V47 PolarHBondContact O-N 3.04Å; R45-V47 VanDerWaalsContact C-N 3.29Å; R45-V47 PolarHBondContact O-N 3.28Å; V47-D49 HydrophobicContact CG2-CB 3.63Å; V47-D49 PolarHBondContact O-N 3.3Å
48S89.6Confident90.4Very high99 Ų9936.2 Ų36.269%0.69219%0.188SC*.THydrogen-bonded Turntrans54.732.8-173.9-56.10000113.7A44 R45 I50A44-S48 PolarHBondContact O-N 3.23Å; A44-S48 VanDerWaalsContact O-N 3.09Å; R45-S48 PolarHBondContact O-N 3.18Å; R45-S48 VanDerWaalsContact O-N 3.09Å; S48-I50 PolarHBondContact O-N 3.09Å
49D87.3Confident90.2Very high26 Ų2631 Ų3114%0.13917%0.169CC..  trans-80.190.8171.3177.211.2000109.2A44 V47 D51 G52 E53 R412A44-D49 HydrophobicContact CB-CB 4.43Å; A44-D49 PolarHBondContact O-N 2.88Å; V47-D49 HydrophobicContact CG2-CB 3.63Å; V47-D49 PolarHBondContact O-N 3.3Å; D49-D51 VanDerWaalsContact C-N 3.26Å; D49-D51 PolarHBondContact O-N 3.42Å; D49-D51 PolarHBondContact OD1-N 3.2Å; D49-G52 VanDerWaalsContact CG-N 3.3Å; D49-G52 PolarHBondContact O-N 2.81Å; D49-G52 PolarHBondContact OD1-N 3.11Å; D49-G52 WeakPolarHBondContact OD2-CA 3.3Å; D49-G52 PolarHBondContact OD2-N 3.12Å; D49-E53 PolarHBondContact O-N 3.27Å; D49-R412 IonicContact OD2-CZ 2.71Å; D49-R412 IonicContact OD2-NH1 2.6Å; D49-R412 IonicContact OD2-NH2 3.42Å; D49-R412 PolarHBondContact OD2-NH2 3.5Å
50I88.6Confident90.2Very high56 Ų5629.2 Ų29.229%0.28716%0.163SC..Hα-helixtrans-65.6-32.9-176.8-58.9172.9000111.4S48 E53 A54 L83 H87S48-I50 PolarHBondContact O-N 3.09Å; I50-E53 PolarHBondContact O-N 3.09Å; I50-A54 VanDerWaalsContact O-CB 3.29Å; I50-A54 WeakPolarHBondContact O-CB 3.32Å; I50-A54 PolarHBondContact O-N 3Å; I50-L83 HydrophobicContact CG2-CB 4.18Å; I50-L83 HydrophobicContact CG2-CD1 4.34Å; I50-L83 HydrophobicContact CG2-CD2 3.75Å; I50-L83 HydrophobicContact CG2-CG 4.31Å; I50-H87 VanDerWaalsContact CD1-CE1 3.42Å; I50-H87 WeakPolarHBondContact CD1-CE1 3.25Å; I50-H87 VanDerWaalsContact CG2-CE1 3.41Å; I50-H87 WeakPolarHBondContact CG2-CE1 3.06Å
51D85.7Confident90.2Very high58 Ų5829.2 Ų29.231%0.3116%0.163SC..Hα-helixtrans-70.4-40177.8-68.3-39.4000111.7D49 S55 K89D49-D51 VanDerWaalsContact C-N 3.26Å; D49-D51 PolarHBondContact O-N 3.42Å; D49-D51 PolarHBondContact OD1-N 3.2Å; D51-S55 WeakPolarHBondContact O-CB 3.36Å; D51-S55 PolarHBondContact O-N 3.29Å; D51-S55 PolarHBondContact O-OG 2.84Å; D51-K89 WeakPolarHBondContact OD1-CE 3.4Å; D51-K89 IonicContact OD1-NZ 2.74Å; D51-K89 PolarHBondContact OD1-NZ 2.76Å; D51-K89 IonicContact OD2-NZ 3.87Å; D51-K89 PolarHBondContact OD2-NZ 3.22Å
52G86.3Confident90Very high0 Ų028.7 Ų28.70%016%0.161CC..Hα-helixtrans-61-45168.700000111.8D49 A54 S55 A56D49-G52 VanDerWaalsContact CG-N 3.3Å; D49-G52 PolarHBondContact O-N 2.81Å; D49-G52 PolarHBondContact OD1-N 3.11Å; D49-G52 WeakPolarHBondContact OD2-CA 3.3Å; D49-G52 PolarHBondContact OD2-N 3.12Å; G52-A54 VanDerWaalsContact C-N 3.35Å; G52-A54 PolarHBondContact O-N 2.78Å; G52-S55 PolarHBondContact O-N 2.97Å; G52-A56 VanDerWaalsContact O-CB 3.23Å; G52-A56 WeakPolarHBondContact O-CB 3.48Å; G52-A56 PolarHBondContact O-N 3.03Å
53E91.7Very high89.9Confident16 Ų1625.6 Ų25.68%0.07515%0.146CC..Hα-helixtrans-62.1-44.1178.6-168.7-170164.300111.3L41 A44 R45 D49 I50 S57 R79 L83L41-E53 HydrophobicContact CD1-CB 4.41Å; L41-E53 HydrophobicContact CD1-CG 3.53Å; A44-E53 HydrophobicContact CB-CB 4.42Å; R45-E53 HydrophobicContact CG-CG 3.94Å; R45-E53 IonicContact CZ-OE1 3.23Å; R45-E53 IonicContact NE-OE1 2.76Å; R45-E53 PolarHBondContact NE-OE1 2.92Å; R45-E53 IonicContact NE-OE2 3.58Å; R45-E53 IonicContact NH2-OE1 3.44Å; R45-E53 PolarHBondContact NH2-OE1 3.46Å; D49-E53 PolarHBondContact O-N 3.27Å; I50-E53 PolarHBondContact O-N 3.09Å; E53-S57 VanDerWaalsContact O-CB 3.25Å; E53-S57 WeakPolarHBondContact O-CB 3.4Å; E53-S57 PolarHBondContact O-N 3.48Å; E53-S57 PolarHBondContact O-OG 3.12Å; E53-R79 IonicContact OE1-CZ 3.36Å; E53-R79 IonicContact OE1-NE 2.65Å; E53-R79 PolarHBondContact OE1-NE 3.3Å; E53-R79 IonicContact OE1-NH2 2.85Å; E53-R79 PolarHBondContact OE1-NH2 3Å; E53-R79 IonicContact OE2-NH2 2.62Å; E53-R79 PolarHBondContact OE2-NH2 3.03Å; E53-L83 HydrophobicContact CB-CD1 3.89Å; E53-L83 HydrophobicContact CG-CD1 3.78Å
54A90.4Very high90.2Very high4 Ų425.7 Ų25.73%0.03315%0.146CC..Hα-helixtrans-59.5-51.517700000111I50 G52 S57 G58 Y80 L83I50-A54 VanDerWaalsContact O-CB 3.29Å; I50-A54 WeakPolarHBondContact O-CB 3.32Å; I50-A54 PolarHBondContact O-N 3Å; G52-A54 VanDerWaalsContact C-N 3.35Å; G52-A54 PolarHBondContact O-N 2.78Å; A54-S57 PolarHBondContact O-N 2.96Å; A54-G58 PolarHBondContact O-N 2.76Å; A54-Y80 VanDerWaalsContact C-CD2 3.47Å; A54-Y80 HydrophobicContact CB-CD2 3.75Å; A54-Y80 HydrophobicContact CB-CE2 4.03Å; A54-Y80 WeakPolarHBondContact O-CD2 3.47Å; A54-L83 HydrophobicContact CB-CB 3.87Å; A54-L83 HydrophobicContact CB-CD1 4.09Å
55S87.7Confident90.3Very high16 Ų1627.7 Ų27.711%0.11216%0.155CC..Hα-helixtrans-63.4-46.6-179.8-55.50000111.9D51 G52 S57 G58 N59D51-S55 WeakPolarHBondContact O-CB 3.36Å; D51-S55 PolarHBondContact O-N 3.29Å; D51-S55 PolarHBondContact O-OG 2.84Å; G52-S55 PolarHBondContact O-N 2.97Å; S55-S57 VanDerWaalsContact C-N 3.33Å; S55-S57 PolarHBondContact O-N 2.99Å; S55-G58 PolarHBondContact O-N 3.43Å; S55-G58 VanDerWaalsContact O-N 3.17Å; S55-N59 PolarHBondContact O-N 3.48Å
56A90.1Very high90.2Very high0 Ų024.6 Ų24.60%015%0.15CC..Hα-helixtrans-61.5-42177.200000111.3D40 L41 G52 G58 N59 I60D40-A56 HydrophobicContact CB-CB 4.38Å; L41-A56 HydrophobicContact CB-CB 3.87Å; L41-A56 HydrophobicContact CD1-CB 4.05Å; G52-A56 VanDerWaalsContact O-CB 3.23Å; G52-A56 WeakPolarHBondContact O-CB 3.48Å; G52-A56 PolarHBondContact O-N 3.03Å; A56-G58 VanDerWaalsContact C-N 3.34Å; A56-G58 PolarHBondContact O-N 3.1Å; A56-N59 PolarHBondContact O-N 2.8Å; A56-I60 WeakPolarHBondContact O-CB 2.95Å; A56-I60 VanDerWaalsContact O-CG1 3.23Å; A56-I60 WeakPolarHBondContact O-CG1 3.36Å; A56-I60 PolarHBondContact O-N 3.41Å
57S94.2Very high90.3Very high4 Ų425 Ų253%0.02815%0.145CC..Hα-helixtrans-61.1-42174.7-60.10000111.8E53 A54 S55 G61 C76E53-S57 VanDerWaalsContact O-CB 3.25Å; E53-S57 WeakPolarHBondContact O-CB 3.4Å; E53-S57 PolarHBondContact O-N 3.48Å; E53-S57 PolarHBondContact O-OG 3.12Å; A54-S57 PolarHBondContact O-N 2.96Å; S55-S57 VanDerWaalsContact C-N 3.33Å; S55-S57 PolarHBondContact O-N 2.99Å; S57-G61 PolarHBondContact O-N 3.35Å; S57-C76 WeakPolarHBondContact CB-O 3.26Å; S57-C76 WeakPolarHBondContact O-CB 3.27Å
58G90.2Very high90.4Very high2 Ų224 Ų242%0.02115%0.146CC..Hα-helixtrans-60.7-47.8174.300000112.7A54 S55 A56 G61 C62A54-G58 PolarHBondContact O-N 2.76Å; S55-G58 PolarHBondContact O-N 3.43Å; S55-G58 VanDerWaalsContact O-N 3.17Å; A56-G58 VanDerWaalsContact C-N 3.34Å; A56-G58 PolarHBondContact O-N 3.1Å; G58-G61 PolarHBondContact O-N 2.98Å; G58-C62 PolarHBondContact O-N 3.37Å
59N89.8Confident90.8Very high9 Ų923.5 Ų23.55%0.04813%0.129CC..Hα-helixtrans-63.7-45179.8-70.4-17.2000112.1N22 Q37 S55 A56 G61 C62 T63N22-N59 PolarHBondContact OD1-ND2 3.09Å; Q37-N59 HydrophobicContact CG-CB 4.17Å; Q37-N59 PolarHBondContact OE1-O 3.12Å; S55-N59 PolarHBondContact O-N 3.48Å; A56-N59 PolarHBondContact O-N 2.8Å; N59-G61 VanDerWaalsContact C-N 3.29Å; N59-G61 PolarHBondContact O-N 2.83Å; N59-C62 PolarHBondContact O-N 2.97Å; N59-T63 PolarHBondContact O-N 2.9Å; N59-T63 PolarHBondContact O-OG1 3.39Å
60I94.5Very high91.2Very high7 Ų723.8 Ų23.84%0.03613%0.128CC..Hα-helixtrans-59.1-43.5173.8-69.5169.3000110.3L34 Q37 R38 L41 A56 C62 T63 L64 C76L34-I60 HydrophobicContact CD1-CB 4.47Å; L34-I60 HydrophobicContact CD1-CG1 4.38Å; L34-I60 HydrophobicContact CD1-CG2 3.83Å; Q37-I60 HydrophobicContact CB-CD1 4.4Å; Q37-I60 HydrophobicContact CB-CG1 3.63Å; R38-I60 HydrophobicContact CG-CD1 4.29Å; L41-I60 HydrophobicContact CB-CD1 4.01Å; L41-I60 HydrophobicContact CD2-CD1 3.72Å; L41-I60 HydrophobicContact CG-CD1 4.42Å; A56-I60 WeakPolarHBondContact O-CB 2.95Å; A56-I60 VanDerWaalsContact O-CG1 3.23Å; A56-I60 WeakPolarHBondContact O-CG1 3.36Å; A56-I60 PolarHBondContact O-N 3.41Å; I60-C62 VanDerWaalsContact C-N 3.34Å; I60-C62 PolarHBondContact O-N 3.1Å; I60-T63 PolarHBondContact O-N 2.91Å; I60-L64 HydrophobicContact CG2-CD1 3.47Å; I60-L64 VanDerWaalsContact CG2-CD1 3.47Å; I60-L64 HydrophobicContact CG2-CG 4.05Å; I60-L64 WeakPolarHBondContact O-CB 3.35Å; I60-L64 VanDerWaalsContact O-CG 3.25Å; I60-L64 WeakPolarHBondContact O-CG 3.11Å; I60-L64 PolarHBondContact O-N 3.24Å; I60-C76 HydrophobicContact CG2-CB 4.36Å; I60-C76 VanDerWaalsContact CG2-SG 3.6Å
61G92.1Very high91.7Very high0 Ų026 Ų260%014%0.14CC..Hα-helixtrans-56.6-46.1176.500000112.5S57 G58 N59 K65 A73S57-G61 PolarHBondContact O-N 3.35Å; G58-G61 PolarHBondContact O-N 2.98Å; N59-G61 VanDerWaalsContact C-N 3.29Å; N59-G61 PolarHBondContact O-N 2.83Å; G61-K65 WeakPolarHBondContact O-CB 3.42Å; G61-K65 PolarHBondContact O-N 3.23Å; G61-A73 WeakPolarHBondContact O-CB 3.19Å
62C90.1Very high92.2Very high11 Ų1126 Ų267%0.07414%0.139CC..Hα-helixtrans-62.2-46.2175.1-70.60000112.6G58 N59 I60 K65 V66G58-C62 PolarHBondContact O-N 3.37Å; N59-C62 PolarHBondContact O-N 2.97Å; I60-C62 VanDerWaalsContact C-N 3.34Å; I60-C62 PolarHBondContact O-N 3.1Å; C62-K65 VanDerWaalsContact O-CB 3.32Å; C62-K65 WeakPolarHBondContact O-CB 3.42Å; C62-K65 PolarHBondContact O-N 2.95Å; C62-V66 PolarHBondContact O-N 2.91Å
63T90.3Very high92.8Very high0 Ų026 Ų260%014%0.139CC..Hα-helixtrans-62.1-45.1178.3-54.40000111.8Y25 L30 A33 L34 Q37 N59 I60 K65 V66 L67Y25-T63 HydrophobicContact CD2-CG2 4.38Å; Y25-T63 WeakPolarHBondContact CD2-OG1 3.41Å; L30-T63 HydrophobicContact CB-CG2 4.33Å; L30-T63 WeakPolarHBondContact O-CG2 3.42Å; A33-T63 HydrophobicContact CB-CG2 4.2Å; L34-T63 HydrophobicContact CB-CG2 3.95Å; L34-T63 HydrophobicContact CD1-CG2 4.42Å; Q37-T63 VanDerWaalsContact CD-OG1 3.3Å; Q37-T63 PolarHBondContact NE2-OG1 2.71Å; Q37-T63 VanDerWaalsContact NE2-OG1 3.09Å; Q37-T63 PolarHBondContact OE1-OG1 3.09Å; N59-T63 PolarHBondContact O-N 2.9Å; N59-T63 PolarHBondContact O-OG1 3.39Å; I60-T63 PolarHBondContact O-N 2.91Å; T63-K65 VanDerWaalsContact C-N 3.3Å; T63-K65 PolarHBondContact O-N 3.09Å; T63-V66 PolarHBondContact O-N 3.28Å; T63-L67 HydrophobicContact CG2-CD1 4.13Å; T63-L67 WeakPolarHBondContact O-CG 3.32Å; T63-L67 PolarHBondContact O-N 3.47Å
64L95.1Very high93.1Very high3 Ų326 Ų262%0.01614%0.139CC..Hα-helixtrans-64-34.3177.5-71.2169.9000112.4L34 I60 L67 G68 R69 E72 A73L34-L64 HydrophobicContact CD1-CD2 4.2Å; L34-L64 HydrophobicContact CD1-CG 4.18Å; L34-L64 HydrophobicContact CD2-CD2 4.02Å; I60-L64 HydrophobicContact CG2-CD1 3.47Å; I60-L64 VanDerWaalsContact CG2-CD1 3.47Å; I60-L64 HydrophobicContact CG2-CG 4.05Å; I60-L64 WeakPolarHBondContact O-CB 3.35Å; I60-L64 VanDerWaalsContact O-CG 3.25Å; I60-L64 WeakPolarHBondContact O-CG 3.11Å; I60-L64 PolarHBondContact O-N 3.24Å; L64-L67 CarbonylContact O-C 3.56Å; L64-L67 PolarHBondContact O-N 3.11Å; L64-G68 PolarHBondContact O-N 3.34Å; L64-R69 HydrophobicContact CB-CB 4.26Å; L64-R69 HydrophobicContact CD2-CB 3.95Å; L64-R69 HydrophobicContact CD2-CG 4.49Å; L64-R69 PolarHBondContact O-N 3.36Å; L64-E72 HydrophobicContact CD1-CB 3.74Å; L64-E72 HydrophobicContact CD2-CB 4.46Å; L64-A73 HydrophobicContact CB-CB 3.79Å
65K93Very high93.4Very high42 Ų4233.2 Ų33.218%0.18317%0.165CC..Hα-helixtrans-59.7-49.1174.1-171.9-171.271129.50111.5G61 C62 T63 L67 G68 Y70 A73 V103 D106G61-K65 WeakPolarHBondContact O-CB 3.42Å; G61-K65 PolarHBondContact O-N 3.23Å; C62-K65 VanDerWaalsContact O-CB 3.32Å; C62-K65 WeakPolarHBondContact O-CB 3.42Å; C62-K65 PolarHBondContact O-N 2.95Å; T63-K65 VanDerWaalsContact C-N 3.3Å; T63-K65 PolarHBondContact O-N 3.09Å; K65-L67 VanDerWaalsContact C-N 3.29Å; K65-L67 PolarHBondContact O-N 3.35Å; K65-G68 PolarHBondContact O-N 3.49Å; K65-Y70 HydrophobicContact CG-CE1 4.5Å; K65-Y70 WeakPolarHBondContact O-CE1 3.35Å; K65-A73 HydrophobicContact CB-CB 4.35Å; K65-V103 HydrophobicContact CB-CG2 4.04Å; K65-V103 HydrophobicContact CD-CB 4.37Å; K65-V103 HydrophobicContact CD-CG2 3.83Å; K65-V103 HydrophobicContact CG-CB 4.41Å; K65-V103 HydrophobicContact CG-CG2 3.94Å; K65-D106 HydrophobicContact CD-CB 4.36Å; K65-D106 WeakPolarHBondContact CD-OD2 3.33Å; K65-D106 WeakPolarHBondContact CE-OD2 3.39Å; K65-D106 HydrophobicContact CG-CB 4.07Å; K65-D106 WeakPolarHBondContact CG-OD2 3.47Å; K65-D106 IonicContact NZ-OD2 2.84Å; K65-D106 PolarHBondContact NZ-OD2 3.43Å
66V88.5Confident93.8Very high61 Ų6133.9 Ų33.937%0.3717%0.169SC..Hα-helixtrans-67-33.5179-175.60000111.3Y25 L30 C62 T63 G68Y25-V66 HydrophobicContact CE2-CG2 4.1Å; Y25-V66 WeakPolarHBondContact OH-CG2 3.47Å; L30-V66 HydrophobicContact CD1-CB 4.07Å; L30-V66 HydrophobicContact CD1-CG1 3.49Å; L30-V66 VanDerWaalsContact CD1-CG1 3.49Å; L30-V66 HydrophobicContact CD2-CB 4.49Å; L30-V66 HydrophobicContact CD2-CG1 4.24Å; C62-V66 PolarHBondContact O-N 2.91Å; T63-V66 PolarHBondContact O-N 3.28Å; V66-G68 PolarHBondContact O-N 3.46Å
67L92.5Very high94.1Very high57 Ų5733.9 Ų33.930%0.29817%0.169SC..THydrogen-bonded Turntrans-71.9-1.3172.2-71.6170.7000114.2L30 L34 T63 L64 K65 R69L30-L67 HydrophobicContact CB-CD1 4.43Å; L30-L67 HydrophobicContact CB-CD2 3.73Å; L30-L67 HydrophobicContact CB-CG 4.03Å; L30-L67 HydrophobicContact CD1-CD2 3.87Å; L30-L67 HydrophobicContact CD1-CG 4.16Å; L30-L67 HydrophobicContact CG-CD2 4.48Å; L34-L67 HydrophobicContact CD2-CD1 4.08Å; T63-L67 HydrophobicContact CG2-CD1 4.13Å; T63-L67 WeakPolarHBondContact O-CG 3.32Å; T63-L67 PolarHBondContact O-N 3.47Å; L64-L67 CarbonylContact O-C 3.56Å; L64-L67 PolarHBondContact O-N 3.11Å; K65-L67 VanDerWaalsContact C-N 3.29Å; K65-L67 PolarHBondContact O-N 3.35Å; L67-R69 HydrophobicContact CB-CG 4.43Å; L67-R69 PolarHBondContact O-N 3.5Å
68G91.6Very high94.2Very high33 Ų3337.6 Ų37.634%0.3419%0.186SC..THydrogen-bonded Turntrans756.3-177.800000115.1L64 K65 V66 Y70L64-G68 PolarHBondContact O-N 3.34Å; K65-G68 PolarHBondContact O-N 3.49Å; V66-G68 PolarHBondContact O-N 3.46Å; G68-Y70 VanDerWaalsContact C-N 3.26Å; G68-Y70 WeakPolarHBondContact O-CD2 3.35Å; G68-Y70 VanDerWaalsContact O-CE2 3.31Å; G68-Y70 WeakPolarHBondContact O-CE2 2.93Å; G68-Y70 PolarHBondContact O-N 2.91Å
69R96.6Very high94.5Very high89 Ų8941.6 Ų41.634%0.33620%0.201SC..  trans-86.460.6-179.5-66.3172.766-173.75111L64 L67 D71 E72 A73L64-R69 HydrophobicContact CB-CB 4.26Å; L64-R69 HydrophobicContact CD2-CB 3.95Å; L64-R69 HydrophobicContact CD2-CG 4.49Å; L64-R69 PolarHBondContact O-N 3.36Å; L67-R69 HydrophobicContact CB-CG 4.43Å; L67-R69 PolarHBondContact O-N 3.5Å; R69-D71 PolarHBondContact O-N 3.08Å; R69-E72 IonicContact CZ-OE1 2.71Å; R69-E72 IonicContact CZ-OE2 2.63Å; R69-E72 IonicContact NE-OE1 3.4Å; R69-E72 PolarHBondContact NE-OE1 2.78Å; R69-E72 IonicContact NE-OE2 2.81Å; R69-E72 IonicContact NH2-OE1 3.78Å; R69-E72 PolarHBondContact NH2-OE1 2.88Å; R69-E72 IonicContact NH2-OE2 2.96Å; R69-E72 PolarHBondContact NH2-OE2 2.74Å; R69-E72 PolarHBondContact O-N 3.43Å; R69-A73 PolarHBondContact O-N 3.12Å
70Y96.7Very high94.8Very high32 Ų3241.6 Ų41.613%0.12520%0.2CC..Hα-helixtrans-63.4-37.3-165.8-53.1-64.5000115K65 G68 E72 A73 L74 V103 D106 K107 N110K65-Y70 HydrophobicContact CG-CE1 4.5Å; K65-Y70 WeakPolarHBondContact O-CE1 3.35Å; G68-Y70 VanDerWaalsContact C-N 3.26Å; G68-Y70 WeakPolarHBondContact O-CD2 3.35Å; G68-Y70 VanDerWaalsContact O-CE2 3.31Å; G68-Y70 WeakPolarHBondContact O-CE2 2.93Å; G68-Y70 PolarHBondContact O-N 2.91Å; Y70-E72 VanDerWaalsContact C-N 3.33Å; Y70-E72 PolarHBondContact O-N 3.24Å; Y70-A73 WeakPolarHBondContact O-CB 3.22Å; Y70-A73 PolarHBondContact O-N 2.91Å; Y70-L74 WeakPolarHBondContact O-CG 3.48Å; Y70-L74 PolarHBondContact O-N 3.29Å; Y70-V103 HydrophobicContact CD1-CG1 4.5Å; Y70-D106 HydrophobicContact CD1-CB 4.46Å; Y70-D106 HydrophobicContact CE1-CB 3.78Å; Y70-K107 HydrophobicContact CD1-CB 4.06Å; Y70-K107 HydrophobicContact CD2-CB 4.07Å; Y70-K107 HydrophobicContact CD2-CG 3.92Å; Y70-K107 HydrophobicContact CG-CB 3.71Å; Y70-K107 HydrophobicContact CG-CD 4.42Å; Y70-K107 HydrophobicContact CG-CG 3.87Å; Y70-N110 HydrophobicContact CE2-CB 3.57Å; Y70-N110 WeakPolarHBondContact OH-CB 3.41Å
71D97.9Very high94.9Very high101 Ų10142.3 Ų42.354%0.5420%0.204SC..Hα-helixtrans-68.7-33.5179.9-71.9-49.9000112.8R69 R75 K107R69-D71 PolarHBondContact O-N 3.08Å; D71-R75 PolarHBondContact O-N 3.02Å; D71-K107 IonicContact OD1-NZ 3.6Å; D71-K107 PolarHBondContact OD1-NZ 2.91Å; D71-K107 IonicContact OD2-NZ 3.24Å
72E97.9Very high95.1Very high59 Ų5947.3 Ų47.328%0.27623%0.227SC..Hα-helixtrans-72.5-42.1172.8-53.1-169.8-127.900110.8L64 R69 Y70 L74 R75 C76L64-E72 HydrophobicContact CD1-CB 3.74Å; L64-E72 HydrophobicContact CD2-CB 4.46Å; R69-E72 IonicContact CZ-OE1 2.71Å; R69-E72 IonicContact CZ-OE2 2.63Å; R69-E72 IonicContact NE-OE1 3.4Å; R69-E72 PolarHBondContact NE-OE1 2.78Å; R69-E72 IonicContact NE-OE2 2.81Å; R69-E72 IonicContact NH2-OE1 3.78Å; R69-E72 PolarHBondContact NH2-OE1 2.88Å; R69-E72 IonicContact NH2-OE2 2.96Å; R69-E72 PolarHBondContact NH2-OE2 2.74Å; R69-E72 PolarHBondContact O-N 3.43Å; Y70-E72 VanDerWaalsContact C-N 3.33Å; Y70-E72 PolarHBondContact O-N 3.24Å; E72-L74 VanDerWaalsContact C-N 3.32Å; E72-L74 PolarHBondContact O-N 2.93Å; E72-R75 PolarHBondContact O-N 3.4Å; E72-C76 PolarHBondContact O-N 3.49Å; E72-C76 PolarHBondContact O-SG 3.38Å
73A97.1Very high95.3Very high0 Ų047.2 Ų47.20%023%0.226CC..Hα-helixtrans-56.7-45.517500000111.8G61 L64 K65 R69 Y70 R75 C76 C77 V103G61-A73 WeakPolarHBondContact O-CB 3.19Å; L64-A73 HydrophobicContact CB-CB 3.79Å; K65-A73 HydrophobicContact CB-CB 4.35Å; R69-A73 PolarHBondContact O-N 3.12Å; Y70-A73 WeakPolarHBondContact O-CB 3.22Å; Y70-A73 PolarHBondContact O-N 2.91Å; A73-R75 PolarHBondContact O-N 3.48Å; A73-C76 PolarHBondContact O-N 3.33Å; A73-C77 PolarHBondContact O-N 2.83Å; A73-C77 PolarHBondContact O-SG 2.69Å; A73-V103 HydrophobicContact CB-CG1 3.81Å; A73-V103 HydrophobicContact CB-CG2 3.9Å
74L98.4Very high95.4Very high15 Ų1547.4 Ų47.48%0.07923%0.227CC..Hα-helixtrans-59.6-43.5177.3-74.3174.4000112.3Y70 E72 C76 C77 Q78 L100 V103 Y104 K107Y70-L74 WeakPolarHBondContact O-CG 3.48Å; Y70-L74 PolarHBondContact O-N 3.29Å; E72-L74 VanDerWaalsContact C-N 3.32Å; E72-L74 PolarHBondContact O-N 2.93Å; L74-C76 PolarHBondContact O-N 3.46Å; L74-C77 PolarHBondContact O-N 3.05Å; L74-Q78 WeakPolarHBondContact O-CB 3.37Å; L74-Q78 VanDerWaalsContact O-CG 3.23Å; L74-Q78 WeakPolarHBondContact O-CG 3.36Å; L74-Q78 PolarHBondContact O-N 2.97Å; L74-L100 HydrophobicContact CD2-CD2 3.99Å; L74-V103 HydrophobicContact CD2-CB 3.91Å; L74-V103 HydrophobicContact CD2-CG1 3.58Å; L74-V103 HydrophobicContact CG-CB 4.47Å; L74-V103 HydrophobicContact CG-CG1 3.6Å; L74-Y104 HydrophobicContact CD1-CD1 4.24Å; L74-Y104 HydrophobicContact CD1-CE1 3.72Å; L74-Y104 HydrophobicContact CD2-CD1 3.89Å; L74-Y104 HydrophobicContact CD2-CD2 4.36Å; L74-Y104 HydrophobicContact CD2-CE1 3.57Å; L74-Y104 HydrophobicContact CD2-CE2 4.09Å; L74-Y104 HydrophobicContact CD2-CG 4.26Å; L74-Y104 HydrophobicContact CG-CE1 4.32Å; L74-K107 HydrophobicContact CD1-CD 4.36Å
75R98.2Very high95.4Very high157 Ų15751.3 Ų51.359%0.59225%0.245SC*.Hα-helixtrans-62.5-42.8176.9-72.4-174.3-70147-5.5111.9D71 E72 A73 Q78 R79D71-R75 PolarHBondContact O-N 3.02Å; E72-R75 PolarHBondContact O-N 3.4Å; A73-R75 PolarHBondContact O-N 3.48Å; R75-Q78 PolarHBondContact O-N 3.44Å; R75-R79 WeakPolarHBondContact O-CB 3.27Å; R75-R79 PolarHBondContact O-N 2.72Å
76C96.1Very high95.4Very high29 Ų2955 Ų5520%0.19627%0.267CS..Hα-helixtrans-64.7-42.2177-69.70000112.1S57 I60 E72 A73 L74 R79 Y80S57-C76 WeakPolarHBondContact CB-O 3.26Å; S57-C76 WeakPolarHBondContact O-CB 3.27Å; I60-C76 HydrophobicContact CG2-CB 4.36Å; I60-C76 VanDerWaalsContact CG2-SG 3.6Å; E72-C76 PolarHBondContact O-N 3.49Å; E72-C76 PolarHBondContact O-SG 3.38Å; A73-C76 PolarHBondContact O-N 3.33Å; L74-C76 PolarHBondContact O-N 3.46Å; C76-R79 PolarHBondContact O-N 2.9Å; C76-Y80 PolarHBondContact O-N 3.38Å
77C94.7Very high95.3Very high0 Ų055.8 Ų55.80%027%0.266CS..Hα-helixtrans-70.6-33.5176.5-61.50000113A73 L74 Y80 L81 N99 L100A73-C77 PolarHBondContact O-N 2.83Å; A73-C77 PolarHBondContact O-SG 2.69Å; L74-C77 PolarHBondContact O-N 3.05Å; C77-Y80 WeakPolarHBondContact O-CB 3.44Å; C77-Y80 PolarHBondContact O-N 3.29Å; C77-L81 PolarHBondContact O-N 2.92Å; C77-N99 HydrophobicContact CB-CB 4.35Å; C77-L100 HydrophobicContact CB-CD2 3.52Å; C77-L100 HydrophobicContact CB-CG 3.74Å
78Q97.7Very high95Very high82 Ų8259.9 Ų59.938%0.38329%0.288SS..Hα-helixtrans-63.5-45.7171.5-77.5169.5-12.900111L74 R75 Y80 L81 E82 L100L74-Q78 WeakPolarHBondContact O-CB 3.37Å; L74-Q78 VanDerWaalsContact O-CG 3.23Å; L74-Q78 WeakPolarHBondContact O-CG 3.36Å; L74-Q78 PolarHBondContact O-N 2.97Å; R75-Q78 PolarHBondContact O-N 3.44Å; Q78-Y80 VanDerWaalsContact C-N 3.28Å; Q78-Y80 PolarHBondContact O-N 2.9Å; Q78-L81 WeakPolarHBondContact O-CB 3.48Å; Q78-L81 PolarHBondContact O-N 2.96Å; Q78-L81 VanDerWaalsContact O-N 3.1Å; Q78-E82 WeakPolarHBondContact O-CG 3.49Å; Q78-E82 PolarHBondContact O-N 3.3Å; Q78-L100 HydrophobicContact CG-CD2 3.99Å
79R96.6Very high94.8Very high87 Ų8761.5 Ų61.533%0.32829%0.286SS..Hα-helixtrans-58.4-42.1174.1-178.957.9173.6172.62.4111.7E53 R75 C76 L81 E82 L83E53-R79 IonicContact OE1-CZ 3.36Å; E53-R79 IonicContact OE1-NE 2.65Å; E53-R79 PolarHBondContact OE1-NE 3.3Å; E53-R79 IonicContact OE1-NH2 2.85Å; E53-R79 PolarHBondContact OE1-NH2 3Å; E53-R79 IonicContact OE2-NH2 2.62Å; E53-R79 PolarHBondContact OE2-NH2 3.03Å; R75-R79 WeakPolarHBondContact O-CB 3.27Å; R75-R79 PolarHBondContact O-N 2.72Å; C76-R79 PolarHBondContact O-N 2.9Å; R79-L81 VanDerWaalsContact C-N 3.35Å; R79-L81 PolarHBondContact O-N 3.12Å; R79-E82 PolarHBondContact O-N 2.89Å; R79-L83 HydrophobicContact CG-CD1 4.22Å; R79-L83 WeakPolarHBondContact O-CG 3.26Å; R79-L83 PolarHBondContact O-N 3.35Å; R79-L83 VanDerWaalsContact O-N 3.11Å
80Y95.4Very high94.6Very high9 Ų963.1 Ų63.14%0.03529%0.292CS..Hα-helixtrans-59.6-45.8174.9179.4-151000111.7A54 C76 C77 Q78 S84 H92 A95 A96A54-Y80 VanDerWaalsContact C-CD2 3.47Å; A54-Y80 HydrophobicContact CB-CD2 3.75Å; A54-Y80 HydrophobicContact CB-CE2 4.03Å; A54-Y80 WeakPolarHBondContact O-CD2 3.47Å; C76-Y80 PolarHBondContact O-N 3.38Å; C77-Y80 WeakPolarHBondContact O-CB 3.44Å; C77-Y80 PolarHBondContact O-N 3.29Å; Q78-Y80 VanDerWaalsContact C-N 3.28Å; Q78-Y80 PolarHBondContact O-N 2.9Å; Y80-S84 WeakPolarHBondContact CD2-OG 3.47Å; Y80-S84 VanDerWaalsContact CE2-OG 3.26Å; Y80-S84 WeakPolarHBondContact CE2-OG 3.46Å; Y80-S84 VanDerWaalsContact O-CB 3.32Å; Y80-S84 WeakPolarHBondContact O-CB 3.46Å; Y80-S84 PolarHBondContact O-N 2.96Å; Y80-S84 VanDerWaalsContact O-N 3.08Å; Y80-S84 PolarHBondContact O-OG 3.33Å; Y80-H92 HydrophobicContact CE2-CB 4.08Å; Y80-H92 PolarHBondContact OH-ND1 3.21Å; Y80-H92 VanDerWaalsContact OH-ND1 3.12Å; Y80-A95 HydrophobicContact CE1-CB 4.13Å; Y80-A96 HydrophobicContact CD1-CB 3.49Å; Y80-A96 VanDerWaalsContact CD1-CB 3.49Å; Y80-A96 HydrophobicContact CD2-CB 4.46Å; Y80-A96 HydrophobicContact CE1-CB 3.8Å; Y80-A96 HydrophobicContact CG-CB 3.87Å
81L95.9Very high94.2Very high21 Ų2165.3 Ų65.311%0.1130%0.304CS..Hα-helixtrans-61.3-49.1177.9179.962.2000112.1C77 Q78 R79 L83 S84 Q85 V93 A96 Y97 L100C77-L81 PolarHBondContact O-N 2.92Å; Q78-L81 WeakPolarHBondContact O-CB 3.48Å; Q78-L81 PolarHBondContact O-N 2.96Å; Q78-L81 VanDerWaalsContact O-N 3.1Å; R79-L81 VanDerWaalsContact C-N 3.35Å; R79-L81 PolarHBondContact O-N 3.12Å; L81-L83 PolarHBondContact O-N 3.07Å; L81-S84 PolarHBondContact O-N 3.17Å; L81-Q85 HydrophobicContact CD1-CG 4.12Å; L81-Q85 HydrophobicContact CG-CG 4.47Å; L81-Q85 WeakPolarHBondContact O-CB 3.37Å; L81-Q85 WeakPolarHBondContact O-CG 3.39Å; L81-Q85 PolarHBondContact O-N 2.84Å; L81-V93 HydrophobicContact CD1-CG1 3.88Å; L81-A96 HydrophobicContact CB-CB 3.78Å; L81-A96 HydrophobicContact CD1-CB 3.97Å; L81-A96 HydrophobicContact CG-CB 4.5Å; L81-Y97 HydrophobicContact CD1-CD1 4.4Å; L81-Y97 HydrophobicContact CD1-CD2 4.05Å; L81-Y97 HydrophobicContact CD1-CE1 4.19Å; L81-Y97 HydrophobicContact CD1-CE2 3.83Å; L81-Y97 HydrophobicContact CD1-CG 4.32Å; L81-Y97 HydrophobicContact CD2-CD1 4.18Å; L81-Y97 HydrophobicContact CD2-CE1 3.68Å; L81-L100 HydrophobicContact CB-CD1 4.45Å; L81-L100 HydrophobicContact CD2-CD1 3.83Å
82E96.9Very high93.8Very high106 Ų10661.3 Ų61.350%0.49528%0.282SS..Hα-helixtrans-57.3-49.3-179.7-72.8168.9-172.100112.1Q78 R79 S84 Q85 L86Q78-E82 WeakPolarHBondContact O-CG 3.49Å; Q78-E82 PolarHBondContact O-N 3.3Å; R79-E82 PolarHBondContact O-N 2.89Å; E82-S84 VanDerWaalsContact C-N 3.33Å; E82-S84 PolarHBondContact O-N 3.46Å; E82-Q85 PolarHBondContact O-N 2.86Å; E82-L86 WeakPolarHBondContact O-CB 3.26Å; E82-L86 PolarHBondContact O-N 3.3Å
83L93.7Very high93.7Very high9 Ų959.2 Ų59.25%0.04727%0.273CS..Hα-helixtrans-64.6-39.1180-69.3-179.4000112.1I50 E53 A54 R79 L81 L86 H87I50-L83 HydrophobicContact CG2-CB 4.18Å; I50-L83 HydrophobicContact CG2-CD1 4.34Å; I50-L83 HydrophobicContact CG2-CD2 3.75Å; I50-L83 HydrophobicContact CG2-CG 4.31Å; E53-L83 HydrophobicContact CB-CD1 3.89Å; E53-L83 HydrophobicContact CG-CD1 3.78Å; A54-L83 HydrophobicContact CB-CB 3.87Å; A54-L83 HydrophobicContact CB-CD1 4.09Å; R79-L83 HydrophobicContact CG-CD1 4.22Å; R79-L83 WeakPolarHBondContact O-CG 3.26Å; R79-L83 PolarHBondContact O-N 3.35Å; R79-L83 VanDerWaalsContact O-N 3.11Å; L81-L83 PolarHBondContact O-N 3.07Å; L83-L86 PolarHBondContact O-N 3.25Å; L83-H87 PolarHBondContact O-N 2.99Å; L83-H87 PolarHBondContact O-ND1 3.35Å; L83-H87 VanDerWaalsContact O-ND1 3.15Å
84S94Very high93.5Very high3 Ų359.4 Ų59.42%0.02127%0.274CS..Hα-helixtrans-66.9-38.4178.4-58.10000112.3Y80 L81 E82 N88 K89 H92Y80-S84 WeakPolarHBondContact CD2-OG 3.47Å; Y80-S84 VanDerWaalsContact CE2-OG 3.26Å; Y80-S84 WeakPolarHBondContact CE2-OG 3.46Å; Y80-S84 VanDerWaalsContact O-CB 3.32Å; Y80-S84 WeakPolarHBondContact O-CB 3.46Å; Y80-S84 PolarHBondContact O-N 2.96Å; Y80-S84 VanDerWaalsContact O-N 3.08Å; Y80-S84 PolarHBondContact O-OG 3.33Å; L81-S84 PolarHBondContact O-N 3.17Å; E82-S84 VanDerWaalsContact C-N 3.33Å; E82-S84 PolarHBondContact O-N 3.46Å; S84-N88 PolarHBondContact O-N 3.38Å; S84-K89 PolarHBondContact O-N 3.12Å; S84-H92 WeakPolarHBondContact OG-CB 3.35Å
85Q94.5Very high93.2Very high85 Ų8558.8 Ų58.840%0.39727%0.271SS..Hα-helixtrans-69.1-42.8175.8-74.4178.1-25.500111.6L81 E82 H87 N88 V93 Y97L81-Q85 HydrophobicContact CD1-CG 4.12Å; L81-Q85 HydrophobicContact CG-CG 4.47Å; L81-Q85 WeakPolarHBondContact O-CB 3.37Å; L81-Q85 WeakPolarHBondContact O-CG 3.39Å; L81-Q85 PolarHBondContact O-N 2.84Å; E82-Q85 PolarHBondContact O-N 2.86Å; Q85-H87 PolarHBondContact O-N 2.94Å; Q85-N88 PolarHBondContact O-N 3.33Å; Q85-V93 HydrophobicContact CB-CG2 4.47Å; Q85-V93 HydrophobicContact CG-CG1 4.24Å; Q85-V93 HydrophobicContact CG-CG2 3.77Å; Q85-Y97 PolarHBondContact NE2-OH 3.37Å
86L92.6Very high93Very high121 Ų12151.3 Ų51.363%0.63424%0.243SC*.Hα-helixtrans-56.3-35179.4-17764.6000112.5E82 L83E82-L86 WeakPolarHBondContact O-CB 3.26Å; E82-L86 PolarHBondContact O-N 3.3Å; L83-L86 PolarHBondContact O-N 3.25Å
87H86.4Confident93.1Very high77 Ų7751.7 Ų51.736%0.35624%0.241SC..THydrogen-bonded Turntrans-979.2-179.9-67.375.6000113.7I50 L83 Q85 K89I50-H87 VanDerWaalsContact CD1-CE1 3.42Å; I50-H87 WeakPolarHBondContact CD1-CE1 3.25Å; I50-H87 VanDerWaalsContact CG2-CE1 3.41Å; I50-H87 WeakPolarHBondContact CG2-CE1 3.06Å; L83-H87 PolarHBondContact O-N 2.99Å; L83-H87 PolarHBondContact O-ND1 3.35Å; L83-H87 VanDerWaalsContact O-ND1 3.15Å; Q85-H87 PolarHBondContact O-N 2.94Å; H87-K89 HydrophobicContact CB-CD 4.47Å; H87-K89 HydrophobicContact CB-CG 4.03Å; H87-K89 PolarHBondContact O-N 3.22Å; H87-K89 VanDerWaalsContact O-N 3.14Å
88N86.3Confident93Very high143 Ų14352.6 Ų52.677%0.76524%0.244SC*.THydrogen-bonded Turntrans5331.7-178.3-67.2-58.6000114.1S84 Q85 R90S84-N88 PolarHBondContact O-N 3.38Å; Q85-N88 PolarHBondContact O-N 3.33Å; N88-R90 PolarHBondContact O-N 3.44Å; N88-R90 VanDerWaalsContact O-N 3.16Å
89K87.4Confident92.8Very high66 Ų6649.1 Ų49.129%0.28723%0.228SC..  trans-87.585.2-177.8-71.5-163175.9-168.10111.3D51 S84 H87 E91 H92 V93D51-K89 WeakPolarHBondContact OD1-CE 3.4Å; D51-K89 IonicContact OD1-NZ 2.74Å; D51-K89 PolarHBondContact OD1-NZ 2.76Å; D51-K89 IonicContact OD2-NZ 3.87Å; D51-K89 PolarHBondContact OD2-NZ 3.22Å; S84-K89 PolarHBondContact O-N 3.12Å; H87-K89 HydrophobicContact CB-CD 4.47Å; H87-K89 HydrophobicContact CB-CG 4.03Å; H87-K89 PolarHBondContact O-N 3.22Å; H87-K89 VanDerWaalsContact O-N 3.14Å; K89-E91 VanDerWaalsContact C-N 3.32Å; K89-E91 PolarHBondContact O-N 3.05Å; K89-H92 HydrophobicContact CB-CB 4.09Å; K89-H92 PolarHBondContact O-N 3.38Å; K89-V93 WeakPolarHBondContact O-CG2 3.48Å; K89-V93 PolarHBondContact O-N 3.31Å
90R92Very high92.8Very high123 Ų12345.3 Ų45.346%0.46421%0.214SC..Hα-helixtrans-54.6-41-173.4-64.4-174.372.7164.16.3114.4N88 H92 V93 A94 I143 E146 L147N88-R90 PolarHBondContact O-N 3.44Å; N88-R90 VanDerWaalsContact O-N 3.16Å; R90-H92 VanDerWaalsContact C-N 3.34Å; R90-H92 PolarHBondContact O-N 2.98Å; R90-V93 PolarHBondContact O-N 3.19Å; R90-A94 PolarHBondContact O-N 2.78Å; R90-I143 HydrophobicContact CB-CG2 4.12Å; R90-I143 WeakPolarHBondContact O-CG2 3.38Å; R90-E146 IonicContact CZ-OE2 2.7Å; R90-E146 IonicContact NH2-OE1 3.44Å; R90-E146 IonicContact NH2-OE2 3.67Å; R90-E146 PolarHBondContact NH2-OE2 3.06Å; R90-L147 HydrophobicContact CB-CD1 4.28Å; R90-L147 HydrophobicContact CB-CD2 4.11Å
91E89.5Confident92.9Very high79 Ų7944.9 Ų44.937%0.36921%0.213SC..Hα-helixtrans-57.7-46.5176.5-71.1169.1173.500111.4K89 A94 A95 L147 K411K89-E91 VanDerWaalsContact C-N 3.32Å; K89-E91 PolarHBondContact O-N 3.05Å; E91-A94 PolarHBondContact O-N 3.17Å; E91-A95 PolarHBondContact O-N 3.37Å; E91-A95 VanDerWaalsContact O-N 3.12Å; E91-L147 HydrophobicContact CB-CD1 4.38Å; E91-L147 HydrophobicContact CG-CD1 3.75Å; E91-L147 HydrophobicContact CG-CD2 4.48Å; E91-K411 IonicContact OE1-NZ 3.89Å; E91-K411 PolarHBondContact OE1-NZ 2.73Å; E91-K411 IonicContact OE2-NZ 2.67Å; E91-K411 PolarHBondContact OE2-NZ 2.61Å
92H89.7Confident92.7Very high17 Ų1744.3 Ų44.38%0.07921%0.212CC..Hα-helixtrans-70.8-36.1178.8-68.2-82.5000112.6Y80 S84 K89 R90 A94 A95 A96 S410Y80-H92 HydrophobicContact CE2-CB 4.08Å; Y80-H92 PolarHBondContact OH-ND1 3.21Å; Y80-H92 VanDerWaalsContact OH-ND1 3.12Å; S84-H92 WeakPolarHBondContact OG-CB 3.35Å; K89-H92 HydrophobicContact CB-CB 4.09Å; K89-H92 PolarHBondContact O-N 3.38Å; R90-H92 VanDerWaalsContact C-N 3.34Å; R90-H92 PolarHBondContact O-N 2.98Å; H92-A94 VanDerWaalsContact C-N 3.34Å; H92-A94 PolarHBondContact O-N 2.98Å; H92-A95 PolarHBondContact O-N 3.46Å; H92-A96 WeakPolarHBondContact O-CB 3.46Å; H92-A96 PolarHBondContact O-N 2.91Å; H92-S410 PolarHBondContact CE1-OG 2.88Å
93V94.8Very high92.6Very high15 Ų1539.3 Ų39.39%0.09119%0.189CC..Hα-helixtrans-60.3-44.8173.3175.60000110.7L81 Q85 K89 R90 A95 A96 Y97 I143L81-V93 HydrophobicContact CD1-CG1 3.88Å; Q85-V93 HydrophobicContact CB-CG2 4.47Å; Q85-V93 HydrophobicContact CG-CG1 4.24Å; Q85-V93 HydrophobicContact CG-CG2 3.77Å; K89-V93 WeakPolarHBondContact O-CG2 3.48Å; K89-V93 PolarHBondContact O-N 3.31Å; R90-V93 PolarHBondContact O-N 3.19Å; V93-A95 PolarHBondContact O-N 3.45Å; V93-A96 PolarHBondContact O-N 3.48Å; V93-Y97 HydrophobicContact CG1-CD2 3.82Å; V93-Y97 HydrophobicContact CG1-CE2 3.57Å; V93-Y97 VanDerWaalsContact O-CD2 3.26Å; V93-Y97 WeakPolarHBondContact O-CD2 3.34Å; V93-Y97 PolarHBondContact O-N 2.89Å; V93-I143 HydrophobicContact CB-CD1 4.37Å; V93-I143 HydrophobicContact CG1-CD1 3.66Å
94A93.8Very high92.8Very high3 Ų340.3 Ų40.33%0.02519%0.192CC..Hα-helixtrans-61-44.3176.300000112R90 E91 H92 Y97 Y98 S140 I143R90-A94 PolarHBondContact O-N 2.78Å; E91-A94 PolarHBondContact O-N 3.17Å; H92-A94 VanDerWaalsContact C-N 3.34Å; H92-A94 PolarHBondContact O-N 2.98Å; A94-Y97 PolarHBondContact O-N 3.17Å; A94-Y98 PolarHBondContact O-N 3.36Å; A94-S140 WeakPolarHBondContact O-CB 3.08Å; A94-S140 PolarHBondContact O-OG 2.84Å; A94-I143 HydrophobicContact CB-CB 3.92Å; A94-I143 HydrophobicContact CB-CG2 3.79Å
95A91.3Very high92.8Very high3 Ų340.5 Ų40.53%0.02519%0.193CC..Hα-helixtrans-64.9-38.7177.100000112.6Y80 E91 H92 V93 Y98 N99 F406Y80-A95 HydrophobicContact CE1-CB 4.13Å; E91-A95 PolarHBondContact O-N 3.37Å; E91-A95 VanDerWaalsContact O-N 3.12Å; H92-A95 PolarHBondContact O-N 3.46Å; V93-A95 PolarHBondContact O-N 3.45Å; A95-Y98 WeakPolarHBondContact O-CB 3.43Å; A95-Y98 PolarHBondContact O-N 3.07Å; A95-N99 PolarHBondContact O-N 2.92Å; A95-F406 HydrophobicContact CB-CE1 3.89Å
96A93.6Very high92.6Very high0 Ų038.4 Ų38.40%019%0.185CC..Hα-helixtrans-65.8-42.4177.500000111.9Y80 L81 H92 V93 Y98 N99 L100Y80-A96 HydrophobicContact CD1-CB 3.49Å; Y80-A96 VanDerWaalsContact CD1-CB 3.49Å; Y80-A96 HydrophobicContact CD2-CB 4.46Å; Y80-A96 HydrophobicContact CE1-CB 3.8Å; Y80-A96 HydrophobicContact CG-CB 3.87Å; L81-A96 HydrophobicContact CB-CB 3.78Å; L81-A96 HydrophobicContact CD1-CB 3.97Å; L81-A96 HydrophobicContact CG-CB 4.5Å; H92-A96 WeakPolarHBondContact O-CB 3.46Å; H92-A96 PolarHBondContact O-N 2.91Å; V93-A96 PolarHBondContact O-N 3.48Å; A96-Y98 VanDerWaalsContact C-N 3.35Å; A96-N99 PolarHBondContact O-N 3.21Å; A96-L100 PolarHBondContact O-N 3.25Å
97Y97.6Very high92.6Very high37 Ų3734.1 Ų34.115%0.14516%0.161CC..Hα-helixtrans-61.3-42.4172-82.1-55.7000112.4L81 Q85 V93 A94 N99 L100 A101 C136 M139 I143L81-Y97 HydrophobicContact CD1-CD1 4.4Å; L81-Y97 HydrophobicContact CD1-CD2 4.05Å; L81-Y97 HydrophobicContact CD1-CE1 4.19Å; L81-Y97 HydrophobicContact CD1-CE2 3.83Å; L81-Y97 HydrophobicContact CD1-CG 4.32Å; L81-Y97 HydrophobicContact CD2-CD1 4.18Å; L81-Y97 HydrophobicContact CD2-CE1 3.68Å; Q85-Y97 PolarHBondContact NE2-OH 3.37Å; V93-Y97 HydrophobicContact CG1-CD2 3.82Å; V93-Y97 HydrophobicContact CG1-CE2 3.57Å; V93-Y97 VanDerWaalsContact O-CD2 3.26Å; V93-Y97 WeakPolarHBondContact O-CD2 3.34Å; V93-Y97 PolarHBondContact O-N 2.89Å; A94-Y97 PolarHBondContact O-N 3.17Å; Y97-N99 VanDerWaalsContact C-N 3.29Å; Y97-N99 PolarHBondContact O-N 3Å; Y97-L100 PolarHBondContact O-N 2.96Å; Y97-A101 WeakPolarHBondContact O-CB 3.23Å; Y97-A101 PolarHBondContact O-N 3.28Å; Y97-C136 WeakPolarHBondContact CB-O 3.39Å; Y97-C136 HydrophobicContact CD1-CB 4.37Å; Y97-C136 WeakPolarHBondContact O-CB 3.49Å; Y97-M139 HydrophobicContact CD1-CB 4.12Å; Y97-M139 HydrophobicContact CD2-CB 3.85Å; Y97-M139 HydrophobicContact CE1-CB 4.25Å; Y97-M139 HydrophobicContact CE2-CB 3.98Å; Y97-M139 HydrophobicContact CE2-CE 4.27Å; Y97-M139 HydrophobicContact CG-CB 3.94Å; Y97-I143 HydrophobicContact CD2-CD1 4.08Å; Y97-I143 HydrophobicContact CE2-CD1 4.18Å
98Y94.2Very high93Very high19 Ų1930.5 Ų30.58%0.07514%0.144CC..Hα-helixtrans-57-43.6174.8-174.6-99.9000112A94 A95 A96 A101 G102 Y137 I156 N159 D403 H407A94-Y98 PolarHBondContact O-N 3.36Å; A95-Y98 WeakPolarHBondContact O-CB 3.43Å; A95-Y98 PolarHBondContact O-N 3.07Å; A96-Y98 VanDerWaalsContact C-N 3.35Å; Y98-A101 WeakPolarHBondContact O-CB 3.28Å; Y98-A101 PolarHBondContact O-N 2.93Å; Y98-G102 PolarHBondContact O-N 2.95Å; Y98-Y137 AromaticContact CD2-CD1 3.88Å; Y98-Y137 HydrophobicContact CD2-CD1 3.88Å; Y98-Y137 AromaticContact CD2-CE1 3.53Å; Y98-Y137 HydrophobicContact CD2-CE1 3.53Å; Y98-Y137 HydrophobicContact CE2-CD1 4.28Å; Y98-Y137 AromaticContact CE2-CE1 3.67Å; Y98-Y137 HydrophobicContact CE2-CE1 3.67Å; Y98-Y137 HydrophobicContact CG-CE1 4.29Å; Y98-I156 HydrophobicContact CD2-CG1 3.81Å; Y98-I156 HydrophobicContact CE2-CG1 4.01Å; Y98-N159 PolarHBondContact OH-ND2 2.83Å; Y98-D403 VanDerWaalsContact OH-CG 3.24Å; Y98-D403 PolarHBondContact OH-OD1 2.98Å; Y98-D403 PolarHBondContact OH-OD2 3.13Å; Y98-H407 AromaticContact CD1-CE1 3.78Å
99N92.4Very high93Very high9 Ų927.7 Ų27.75%0.04813%0.125CC..Hα-helixtrans-66-45.8179-72-7.2000112.7C77 A95 A96 Y97 A101 G102 V103 H407C77-N99 HydrophobicContact CB-CB 4.35Å; A95-N99 PolarHBondContact O-N 2.92Å; A96-N99 PolarHBondContact O-N 3.21Å; Y97-N99 VanDerWaalsContact C-N 3.29Å; Y97-N99 PolarHBondContact O-N 3Å; N99-A101 VanDerWaalsContact C-N 3.26Å; N99-A101 PolarHBondContact O-N 3.18Å; N99-G102 PolarHBondContact O-N 3.35Å; N99-V103 VanDerWaalsContact O-CG2 3.31Å; N99-V103 WeakPolarHBondContact O-CG2 3.4Å; N99-V103 PolarHBondContact O-N 3.49Å; N99-H407 PolarHBondContact ND2-CD2 3.49Å; N99-H407 PolarHBondContact OD1-CD2 2.94Å; N99-H407 VanDerWaalsContact OD1-CD2 3.31Å; N99-H407 PolarHBondContact OD1-NE2 3.4Å
100L97.3Very high93.1Very high7 Ų727.4 Ų27.44%0.03713%0.127CC..Hα-helixtrans-55.7-45.4174.4-76.6168.3000111.2L74 C77 Q78 L81 A96 Y97 V103 Y104 C136L74-L100 HydrophobicContact CD2-CD2 3.99Å; C77-L100 HydrophobicContact CB-CD2 3.52Å; C77-L100 HydrophobicContact CB-CG 3.74Å; Q78-L100 HydrophobicContact CG-CD2 3.99Å; L81-L100 HydrophobicContact CB-CD1 4.45Å; L81-L100 HydrophobicContact CD2-CD1 3.83Å; A96-L100 PolarHBondContact O-N 3.25Å; Y97-L100 PolarHBondContact O-N 2.96Å; L100-V103 PolarHBondContact O-N 3.49Å; L100-Y104 HydrophobicContact CB-CE2 4.39Å; L100-Y104 WeakPolarHBondContact O-CD2 3.35Å; L100-Y104 PolarHBondContact O-N 3Å; L100-C136 HydrophobicContact CB-CB 4.38Å
101A96.9Very high93Very high0 Ų023.7 Ų23.70%012%0.116CC..Hα-helixtrans-61.3-46.2178.800000112.1Y97 Y98 N99 V103 Y104 C105 A133 C136 Y137Y97-A101 WeakPolarHBondContact O-CB 3.23Å; Y97-A101 PolarHBondContact O-N 3.28Å; Y98-A101 WeakPolarHBondContact O-CB 3.28Å; Y98-A101 PolarHBondContact O-N 2.93Å; N99-A101 VanDerWaalsContact C-N 3.26Å; N99-A101 PolarHBondContact O-N 3.18Å; A101-V103 VanDerWaalsContact C-N 3.34Å; A101-V103 PolarHBondContact O-N 3.45Å; A101-Y104 PolarHBondContact O-N 3.18Å; A101-C105 PolarHBondContact O-N 2.97Å; A101-A133 HydrophobicContact CB-CB 4.44Å; A101-A133 WeakPolarHBondContact CB-O 3.23Å; A101-A133 WeakPolarHBondContact O-CB 3.39Å; A101-C136 HydrophobicContact CB-CB 3.65Å; A101-Y137 HydrophobicContact CB-CD1 3.43Å; A101-Y137 VanDerWaalsContact CB-CD1 3.43Å; A101-Y137 HydrophobicContact CB-CD2 3.56Å; A101-Y137 HydrophobicContact CB-CE1 3.41Å; A101-Y137 VanDerWaalsContact CB-CE1 3.41Å; A101-Y137 HydrophobicContact CB-CE2 3.54Å; A101-Y137 HydrophobicContact CB-CG 3.48Å; A101-Y137 VanDerWaalsContact CB-CG 3.48Å; A101-Y137 VanDerWaalsContact CB-CZ 3.45Å
102G91.8Very high92.7Very high9 Ų920.1 Ų20.19%0.09310%0.099CC..Hα-helixtrans-57.7-44.2174.900000112.7Y98 N99 C105 D106 Y137Y98-G102 PolarHBondContact O-N 2.95Å; N99-G102 PolarHBondContact O-N 3.35Å; G102-C105 PolarHBondContact O-N 2.74Å; G102-D106 PolarHBondContact O-N 2.86Å; G102-Y137 PolarHBondContact N-OH 3.4Å
103V94.5Very high92.2Very high1 Ų128.7 Ų28.71%0.00613%0.131CC..Hα-helixtrans-64.9-42.5177.5179.90000111.5K65 Y70 A73 L74 N99 L100 A101 D106 K107K65-V103 HydrophobicContact CB-CG2 4.04Å; K65-V103 HydrophobicContact CD-CB 4.37Å; K65-V103 HydrophobicContact CD-CG2 3.83Å; K65-V103 HydrophobicContact CG-CB 4.41Å; K65-V103 HydrophobicContact CG-CG2 3.94Å; Y70-V103 HydrophobicContact CD1-CG1 4.5Å; A73-V103 HydrophobicContact CB-CG1 3.81Å; A73-V103 HydrophobicContact CB-CG2 3.9Å; L74-V103 HydrophobicContact CD2-CB 3.91Å; L74-V103 HydrophobicContact CD2-CG1 3.58Å; L74-V103 HydrophobicContact CG-CB 4.47Å; L74-V103 HydrophobicContact CG-CG1 3.6Å; N99-V103 VanDerWaalsContact O-CG2 3.31Å; N99-V103 WeakPolarHBondContact O-CG2 3.4Å; N99-V103 PolarHBondContact O-N 3.49Å; L100-V103 PolarHBondContact O-N 3.49Å; A101-V103 VanDerWaalsContact C-N 3.34Å; A101-V103 PolarHBondContact O-N 3.45Å; V103-D106 PolarHBondContact O-N 3.32Å; V103-K107 VanDerWaalsContact O-CB 3.22Å; V103-K107 WeakPolarHBondContact O-CB 3.37Å; V103-K107 PolarHBondContact O-N 3.07Å
104Y98.2Very high90.9Very high29 Ų2936 Ų3611%0.11416%0.164CC..Hα-helixtrans-62.5-43.2176.7-77-51.5000112.3L74 L100 A101 A108 L129 K132L74-Y104 HydrophobicContact CD1-CD1 4.24Å; L74-Y104 HydrophobicContact CD1-CE1 3.72Å; L74-Y104 HydrophobicContact CD2-CD1 3.89Å; L74-Y104 HydrophobicContact CD2-CD2 4.36Å; L74-Y104 HydrophobicContact CD2-CE1 3.57Å; L74-Y104 HydrophobicContact CD2-CE2 4.09Å; L74-Y104 HydrophobicContact CD2-CG 4.26Å; L74-Y104 HydrophobicContact CG-CE1 4.32Å; L100-Y104 HydrophobicContact CB-CE2 4.39Å; L100-Y104 WeakPolarHBondContact O-CD2 3.35Å; L100-Y104 PolarHBondContact O-N 3Å; A101-Y104 PolarHBondContact O-N 3.18Å; Y104-A108 WeakPolarHBondContact O-CB 3.36Å; Y104-A108 PolarHBondContact O-N 2.94Å; Y104-L129 HydrophobicContact CD1-CD2 3.76Å; Y104-L129 HydrophobicContact CE1-CD2 4.27Å; Y104-K132 HydrophobicContact CD1-CB 4.22Å; Y104-K132 HydrophobicContact CD1-CD 4.43Å; Y104-K132 HydrophobicContact CD2-CB 3.82Å; Y104-K132 HydrophobicContact CE1-CB 4.31Å; Y104-K132 HydrophobicContact CE1-CD 3.94Å; Y104-K132 HydrophobicContact CE2-CB 3.9Å; Y104-K132 HydrophobicContact CG-CB 4.01Å
105C93.6Very high89.6Confident7 Ų740 Ų405%0.04719%0.185CC..Hα-helixtrans-60.4-49175.6-78.90000112.1A101 G102 K107 A108 K109 F130 A133 T163A101-C105 PolarHBondContact O-N 2.97Å; G102-C105 PolarHBondContact O-N 2.74Å; C105-K107 PolarHBondContact O-N 3.1Å; C105-A108 WeakPolarHBondContact O-CB 3.11Å; C105-A108 PolarHBondContact O-N 3.43Å; C105-K109 WeakPolarHBondContact O-CG 3.38Å; C105-K109 PolarHBondContact O-N 3.03Å; C105-F130 HydrophobicContact CB-CE1 4.49Å; C105-A133 WeakPolarHBondContact SG-CB 3.38Å; C105-T163 PolarHBondContact SG-OG1 3.01Å; C105-T163 VanDerWaalsContact SG-OG1 3.32Å
106D89.7Confident88.3Confident41 Ų4143.9 Ų43.922%0.21921%0.205CC..Hα-helixtrans-68-38.4-177.6-68.6-9000111.3K65 Y70 G102 V103 A108 K109 N110K65-D106 HydrophobicContact CD-CB 4.36Å; K65-D106 WeakPolarHBondContact CD-OD2 3.33Å; K65-D106 WeakPolarHBondContact CE-OD2 3.39Å; K65-D106 HydrophobicContact CG-CB 4.07Å; K65-D106 WeakPolarHBondContact CG-OD2 3.47Å; K65-D106 IonicContact NZ-OD2 2.84Å; K65-D106 PolarHBondContact NZ-OD2 3.43Å; Y70-D106 HydrophobicContact CD1-CB 4.46Å; Y70-D106 HydrophobicContact CE1-CB 3.78Å; G102-D106 PolarHBondContact O-N 2.86Å; V103-D106 PolarHBondContact O-N 3.32Å; D106-A108 VanDerWaalsContact C-N 3.34Å; D106-A108 PolarHBondContact O-N 3.38Å; D106-K109 PolarHBondContact O-N 3.16Å; D106-N110 WeakPolarHBondContact O-CB 3.45Å; D106-N110 PolarHBondContact O-N 3.41Å
107K94.6Very high87.1Confident32 Ų3244.8 Ų44.814%0.13921%0.212CC..Hα-helixtrans-60.8-42172.8-170.4176.2-174.1176.80112Y70 D71 L74 V103 C105 L111 L129Y70-K107 HydrophobicContact CD1-CB 4.06Å; Y70-K107 HydrophobicContact CD2-CB 4.07Å; Y70-K107 HydrophobicContact CD2-CG 3.92Å; Y70-K107 HydrophobicContact CG-CB 3.71Å; Y70-K107 HydrophobicContact CG-CD 4.42Å; Y70-K107 HydrophobicContact CG-CG 3.87Å; D71-K107 IonicContact OD1-NZ 3.6Å; D71-K107 PolarHBondContact OD1-NZ 2.91Å; D71-K107 IonicContact OD2-NZ 3.24Å; L74-K107 HydrophobicContact CD1-CD 4.36Å; V103-K107 VanDerWaalsContact O-CB 3.22Å; V103-K107 WeakPolarHBondContact O-CB 3.37Å; V103-K107 PolarHBondContact O-N 3.07Å; C105-K107 PolarHBondContact O-N 3.1Å; K107-L111 WeakPolarHBondContact O-CB 3.37Å; K107-L111 PolarHBondContact O-N 3.31Å; K107-L129 HydrophobicContact CD-CD1 4.41Å; K107-L129 HydrophobicContact CD-CD2 4.15Å; K107-L129 HydrophobicContact CG-CD1 4.14Å
108A92.9Very high85.7Confident0 Ų045.7 Ų45.70%022%0.216CC..Hα-helixtrans-65.3-47.8178.100000111.7Y104 C105 D106 N110 L111 N112 V126 L129 F130Y104-A108 WeakPolarHBondContact O-CB 3.36Å; Y104-A108 PolarHBondContact O-N 2.94Å; C105-A108 WeakPolarHBondContact O-CB 3.11Å; C105-A108 PolarHBondContact O-N 3.43Å; D106-A108 VanDerWaalsContact C-N 3.34Å; D106-A108 PolarHBondContact O-N 3.38Å; A108-N110 VanDerWaalsContact C-N 3.33Å; A108-N110 PolarHBondContact O-N 3.05Å; A108-L111 PolarHBondContact O-N 3.49Å; A108-N112 PolarHBondContact O-N 2.82Å; A108-V126 HydrophobicContact CB-CG1 4.25Å; A108-L129 HydrophobicContact CB-CB 3.68Å; A108-L129 HydrophobicContact CB-CD1 4.22Å; A108-F130 HydrophobicContact CB-CD1 3.84Å; A108-F130 HydrophobicContact CB-CD2 3.99Å; A108-F130 HydrophobicContact CB-CE1 3.57Å; A108-F130 HydrophobicContact CB-CE2 3.73Å; A108-F130 HydrophobicContact CB-CG 4.04Å; A108-F130 HydrophobicContact CB-CZ 3.51Å
109K87.9Confident84.7Confident85 Ų8545.2 Ų45.237%0.3721%0.214SC..Hα-helixtrans-57.8-45.5175.7-71.5175.8179.7-175.60111.3C105 D106 N112 R113 F130C105-K109 WeakPolarHBondContact O-CG 3.38Å; C105-K109 PolarHBondContact O-N 3.03Å; D106-K109 PolarHBondContact O-N 3.16Å; K109-N112 PolarHBondContact O-N 2.96Å; K109-R113 PolarHBondContact O-N 2.84Å; K109-F130 HydrophobicContact CG-CE1 4.34Å; K109-F130 HydrophobicContact CG-CZ 4.11Å
110N88.3Confident83.7Confident60 Ų6049 Ų4932%0.32124%0.238SC..Hα-helixtrans-65.2-44179.4-170.570.5000112.5Y70 D106 A108 N112 R113Y70-N110 HydrophobicContact CE2-CB 3.57Å; Y70-N110 WeakPolarHBondContact OH-CB 3.41Å; D106-N110 WeakPolarHBondContact O-CB 3.45Å; D106-N110 PolarHBondContact O-N 3.41Å; A108-N110 VanDerWaalsContact C-N 3.33Å; A108-N110 PolarHBondContact O-N 3.05Å; N110-N112 PolarHBondContact O-N 3.4Å; N110-R113 WeakPolarHBondContact O-CB 3.4Å; N110-R113 PolarHBondContact O-N 3.09Å; N110-R113 VanDerWaalsContact O-N 3.1Å
111L89.5Confident82.9Confident44 Ų4453.9 Ų53.923%0.2326%0.264CS..Hα-helixtrans-61.7-30.3176.3-176.964.6000112.4K107 A108 R125 V126 L129K107-L111 WeakPolarHBondContact O-CB 3.37Å; K107-L111 PolarHBondContact O-N 3.31Å; A108-L111 PolarHBondContact O-N 3.49Å; L111-R125 HydrophobicContact CD2-CB 4.3Å; L111-R125 HydrophobicContact CD2-CG 3.77Å; L111-V126 HydrophobicContact CB-CG2 4.25Å; L111-V126 HydrophobicContact CD2-CG2 3.83Å; L111-V126 HydrophobicContact CG-CG2 3.97Å; L111-L129 HydrophobicContact CD2-CD1 4.15Å
112N84.8Confident82.4Confident5 Ų554.2 Ų54.23%0.02727%0.265CS..Hα-helixtrans-80.1-15.5177.7-164.871.8000113.9A108 K109 N110 E114 N115 D116 S117 Y122 V126A108-N112 PolarHBondContact O-N 2.82Å; K109-N112 PolarHBondContact O-N 2.96Å; N110-N112 PolarHBondContact O-N 3.4Å; N112-E114 PolarHBondContact O-N 3.36Å; N112-N115 PolarHBondContact O-N 3.1Å; N112-D116 PolarHBondContact O-N 3.42Å; N112-S117 PolarHBondContact ND2-O 3.14Å; N112-S117 WeakPolarHBondContact OD1-CB 3.19Å; N112-Y122 HydrophobicContact CB-CE1 4.34Å; N112-Y122 VanDerWaalsContact CG-CE1 3.45Å; N112-Y122 VanDerWaalsContact ND2-CE1 3.27Å; N112-Y122 WeakPolarHBondContact ND2-CE1 3.48Å; N112-Y122 WeakPolarHBondContact OD1-CD1 3.38Å; N112-V126 HydrophobicContact CB-CG1 4.23Å; N112-V126 HydrophobicContact CB-CG2 4.25Å
113R77.6Confident82.3Confident196 Ų19656 Ų5674%0.7428%0.275SS*.THydrogen-bonded Turntrans-57.6-34.2179.3-73-179.8173.6-178.7-6.7112.2K109 N110K109-R113 PolarHBondContact O-N 2.84Å; N110-R113 WeakPolarHBondContact O-CB 3.4Å; N110-R113 PolarHBondContact O-N 3.09Å; N110-R113 VanDerWaalsContact O-N 3.1Å
114E67.7Low82.2Confident168 Ų16861.6 Ų61.679%0.78530%0.301SS*.THydrogen-bonded Turntrans-74.4-33.6-179.5-65.3178.2-178.800113.6N112N112-E114 PolarHBondContact O-N 3.36Å
115N66.4Low81.9Confident87 Ų8767.7 Ų67.747%0.46532%0.324SS..THydrogen-bonded Turntrans-92.4-8.1-173.5-63.1-56.2000113.2N112 S117 P123N112-N115 PolarHBondContact O-N 3.1Å; N115-S117 WeakPolarHBondContact CB-OG 3.26Å; N115-S117 PolarHBondContact O-N 3.04Å; N115-S117 PolarHBondContact O-OG 3.48Å; N115-S117 VanDerWaalsContact O-OG 3.07Å; N115-P123 HydrophobicContact CB-CG 4.47Å
116D65Low81.9Confident85 Ų8567.4 Ų67.446%0.45532%0.322SS..THydrogen-bonded Turntrans44.331.1-174.5-163.417.3000113.6N112 R563N112-D116 PolarHBondContact O-N 3.42Å; D116-R563 IonicContact OD1-CZ 3.5Å; D116-R563 IonicContact OD1-NE 3.44Å; D116-R563 PolarHBondContact OD1-NE 2.99Å; D116-R563 IonicContact OD1-NH1 3.17Å; D116-R563 PolarHBondContact OD1-NH1 3.35Å; D116-R563 IonicContact OD1-NH2 2.9Å
117S67.2Low82.1Confident20 Ų2069.9 Ų69.914%0.1433%0.328CS..  trans-79.8143.8-168.6-49.70000110.7N112 N115 D121 Y122N112-S117 PolarHBondContact ND2-O 3.14Å; N112-S117 WeakPolarHBondContact OD1-CB 3.19Å; N115-S117 WeakPolarHBondContact CB-OG 3.26Å; N115-S117 PolarHBondContact O-N 3.04Å; N115-S117 PolarHBondContact O-OG 3.48Å; N115-S117 VanDerWaalsContact O-OG 3.07Å; S117-D121 WeakPolarHBondContact CB-O 3.42Å; S117-Y122 WeakPolarHBondContact O-CE1 3.42Å
118Y69.6Low82.2Confident56 Ų5672.2 Ų72.222%0.2234%0.34CS..  trans-69.4158.2178.3-67.3-94.3000110.9T120 D121 Y122 R563 K567Y118-T120 PolarHBondContact O-N 3.36Å; Y118-D121 CarbonylContact O-C 3.59Å; Y118-D121 PolarHBondContact O-N 2.87Å; Y118-Y122 VanDerWaalsContact O-CD1 3.31Å; Y118-Y122 WeakPolarHBondContact O-CD1 3.4Å; Y118-Y122 PolarHBondContact O-N 3.36Å; Y118-R563 HydrophobicContact CD1-CB 4.39Å; Y118-R563 HydrophobicContact CE1-CB 3.86Å; Y118-R563 WeakPolarHBondContact CE1-O 3.22Å; Y118-K567 HydrophobicContact CE1-CB 4.08Å; Y118-K567 HydrophobicContact CE1-CD 3.91Å; Y118-K567 HydrophobicContact CE2-CD 4.04Å
119I71.9Confident82.4Confident9 Ų972.9 Ų72.95%0.04634%0.343CS..THydrogen-bonded Turntrans-53.5-28.8173.9-149.8167.4000112.5Y122 Y165 L166 F170 F206I119-Y122 HydrophobicContact CG1-CE2 4.21Å; I119-Y165 HydrophobicContact CD1-CD1 3.66Å; I119-Y165 HydrophobicContact CD1-CE1 3.55Å; I119-Y165 HydrophobicContact CD1-CG 4.3Å; I119-Y165 WeakPolarHBondContact CD1-O 3.4Å; I119-Y165 WeakPolarHBondContact CG1-O 3.4Å; I119-L166 HydrophobicContact CD1-CD2 4.38Å; I119-L166 WeakPolarHBondContact CG1-O 3.41Å; I119-F170 HydrophobicContact CD1-CE1 4.34Å; I119-F170 HydrophobicContact CG2-CZ 4.25Å; I119-F206 HydrophobicContact CG2-CE1 4Å; I119-F206 HydrophobicContact CG2-CZ 4.29Å
120T71.9Confident82.8Confident89 Ų8968.9 Ų68.955%0.54633%0.326SS..THydrogen-bonded Turntrans-83.7-13.7177.9530000114.1Y118 R127Y118-T120 PolarHBondContact O-N 3.36Å; T120-R127 PolarHBondContact O-NH2 3.25Å
121D81.5Confident83.3Confident109 Ų10970.5 Ų70.558%0.58333%0.332SS*.SBendtrans-132.928.5-169.4-157.819.2000112.6S117 Y118S117-D121 WeakPolarHBondContact CB-O 3.42Å; Y118-D121 CarbonylContact O-C 3.59Å; Y118-D121 PolarHBondContact O-N 2.87Å
122Y86.4Confident83.7Confident7 Ų772.8 Ų72.83%0.02734%0.34CS..  trans-61136.8176.1-75.6-27.8000111.7N112 S117 Y118 I119 V126 R127 F130 L166 H560N112-Y122 HydrophobicContact CB-CE1 4.34Å; N112-Y122 VanDerWaalsContact CG-CE1 3.45Å; N112-Y122 VanDerWaalsContact ND2-CE1 3.27Å; N112-Y122 WeakPolarHBondContact ND2-CE1 3.48Å; N112-Y122 WeakPolarHBondContact OD1-CD1 3.38Å; S117-Y122 WeakPolarHBondContact O-CE1 3.42Å; Y118-Y122 VanDerWaalsContact O-CD1 3.31Å; Y118-Y122 WeakPolarHBondContact O-CD1 3.4Å; Y118-Y122 PolarHBondContact O-N 3.36Å; I119-Y122 HydrophobicContact CG1-CE2 4.21Å; Y122-V126 HydrophobicContact CD1-CG1 4.16Å; Y122-V126 HydrophobicContact CD2-CG1 4.01Å; Y122-V126 HydrophobicContact CG-CG1 3.81Å; Y122-R127 PolarHBondContact O-NE 2.81Å; Y122-F130 HydrophobicContact CD2-CD2 4.06Å; Y122-F130 AromaticContact CD2-CE2 3.76Å; Y122-F130 HydrophobicContact CD2-CE2 3.76Å; Y122-F130 HydrophobicContact CE2-CD2 4.04Å; Y122-F130 AromaticContact CE2-CE2 3.39Å; Y122-F130 HydrophobicContact CE2-CE2 3.39Å; Y122-F130 HydrophobicContact CE2-CZ 4.23Å; Y122-L166 WeakPolarHBondContact CD2-O 3.49Å; Y122-L166 HydrophobicContact CE2-CB 4.4Å; Y122-L166 WeakPolarHBondContact CE2-O 3.48Å; Y122-L166 WeakPolarHBondContact OH-CD2 3.23Å; Y122-H560 PolarHBondContact OH-CE1 3.02Å; Y122-H560 PolarHBondContact OH-NE2 3.3Å
123P89.3Confident84.4Confident47 Ų4772.6 Ų72.631%0.30534%0.339SS..  trans-53.8148.7170.2-25.133.1000111.4N115 R125 V126 R127N115-P123 HydrophobicContact CB-CG 4.47Å; P123-R125 PolarHBondContact O-N 2.98Å; P123-R125 VanDerWaalsContact O-N 3.13Å; P123-V126 HydrophobicContact CB-CG2 4.38Å; P123-V126 HydrophobicContact CG-CG2 4.38Å; P123-V126 WeakPolarHBondContact O-CB 3.5Å; P123-V126 PolarHBondContact O-N 3Å; P123-R127 PolarHBondContact O-N 3.39Å; P123-R127 VanDerWaalsContact O-N 3.1Å
124Q91.8Very high85.4Confident117 Ų11763.8 Ų63.855%0.54731%0.307SS..Hα-helixtrans-50.7-43.6-176.8-179.558.923.600112.7V126 R127 E128Q124-V126 VanDerWaalsContact C-N 3.33Å; Q124-V126 PolarHBondContact O-N 3.27Å; Q124-R127 WeakPolarHBondContact O-CB 3.37Å; Q124-R127 PolarHBondContact O-N 3.35Å; Q124-E128 WeakPolarHBondContact CG-OE1 3.14Å; Q124-E128 PolarHBondContact NE2-OE1 2.89Å; Q124-E128 WeakPolarHBondContact O-CG 3.48Å; Q124-E128 PolarHBondContact O-N 3.26Å
125R93.2Very high86.8Confident158 Ų15861.4 Ų61.460%0.59630%0.295SS*.Hα-helixtrans-61.1-36.5177.6-173.5174.8178.9-174.12113.6L111 P123 L129L111-R125 HydrophobicContact CD2-CB 4.3Å; L111-R125 HydrophobicContact CD2-CG 3.77Å; P123-R125 PolarHBondContact O-N 2.98Å; P123-R125 VanDerWaalsContact O-N 3.13Å; R125-L129 WeakPolarHBondContact O-CG 3.49Å; R125-L129 PolarHBondContact O-N 3.28Å
126V92.9Very high88.4Confident1 Ų158 Ų581%0.00628%0.278CS..Hα-helixtrans-69.8-43.5176.6173.90000109.8A108 L111 N112 Y122 P123 Q124 E128 L129 F130A108-V126 HydrophobicContact CB-CG1 4.25Å; L111-V126 HydrophobicContact CB-CG2 4.25Å; L111-V126 HydrophobicContact CD2-CG2 3.83Å; L111-V126 HydrophobicContact CG-CG2 3.97Å; N112-V126 HydrophobicContact CB-CG1 4.23Å; N112-V126 HydrophobicContact CB-CG2 4.25Å; Y122-V126 HydrophobicContact CD1-CG1 4.16Å; Y122-V126 HydrophobicContact CD2-CG1 4.01Å; Y122-V126 HydrophobicContact CG-CG1 3.81Å; P123-V126 HydrophobicContact CB-CG2 4.38Å; P123-V126 HydrophobicContact CG-CG2 4.38Å; P123-V126 WeakPolarHBondContact O-CB 3.5Å; P123-V126 PolarHBondContact O-N 3Å; Q124-V126 VanDerWaalsContact C-N 3.33Å; Q124-V126 PolarHBondContact O-N 3.27Å; V126-E128 PolarHBondContact O-N 2.88Å; V126-L129 PolarHBondContact O-N 3.37Å; V126-F130 HydrophobicContact CG1-CD2 3.91Å; V126-F130 HydrophobicContact CG1-CE2 3.51Å; V126-F130 HydrophobicContact CG1-CZ 4.49Å; V126-F130 WeakPolarHBondContact O-CD2 3.5Å; V126-F130 PolarHBondContact O-N 2.89Å; V126-F130 VanDerWaalsContact O-N 3.14Å
127R94Very high89.9Confident92 Ų9254.5 Ų54.535%0.34726%0.259SS..Hα-helixtrans-60.2-43.8175.8-63.8-176.2-172.6-152.8-4.6112.2T120 Y122 P123 Q124 L129 F130 Q131T120-R127 PolarHBondContact O-NH2 3.25Å; Y122-R127 PolarHBondContact O-NE 2.81Å; P123-R127 PolarHBondContact O-N 3.39Å; P123-R127 VanDerWaalsContact O-N 3.1Å; Q124-R127 WeakPolarHBondContact O-CB 3.37Å; Q124-R127 PolarHBondContact O-N 3.35Å; R127-L129 VanDerWaalsContact C-N 3.32Å; R127-L129 PolarHBondContact O-N 2.9Å; R127-F130 PolarHBondContact O-N 3.17Å; R127-Q131 WeakPolarHBondContact O-CG 3.47Å; R127-Q131 PolarHBondContact O-N 3.04Å
128E96.9Very high91.4Very high81 Ų8157.8 Ų57.838%0.37927%0.272SS..Hα-helixtrans-61.3-38.4177.8-75.5170.3-16900112.7Q124 V126 Q131 K132Q124-E128 WeakPolarHBondContact CG-OE1 3.14Å; Q124-E128 PolarHBondContact NE2-OE1 2.89Å; Q124-E128 WeakPolarHBondContact O-CG 3.48Å; Q124-E128 PolarHBondContact O-N 3.26Å; V126-E128 PolarHBondContact O-N 2.88Å; E128-Q131 PolarHBondContact O-N 3.45Å; E128-K132 WeakPolarHBondContact O-CG 3.49Å; E128-K132 PolarHBondContact O-N 2.79Å
129L97.4Very high92.8Very high15 Ų1559 Ų598%0.07928%0.28CS..Hα-helixtrans-65.5-44.3175.3-71.5167.8000111.2Y104 K107 A108 L111 R125 V126 R127 Q131 K132 A133Y104-L129 HydrophobicContact CD1-CD2 3.76Å; Y104-L129 HydrophobicContact CE1-CD2 4.27Å; K107-L129 HydrophobicContact CD-CD1 4.41Å; K107-L129 HydrophobicContact CD-CD2 4.15Å; K107-L129 HydrophobicContact CG-CD1 4.14Å; A108-L129 HydrophobicContact CB-CB 3.68Å; A108-L129 HydrophobicContact CB-CD1 4.22Å; L111-L129 HydrophobicContact CD2-CD1 4.15Å; R125-L129 WeakPolarHBondContact O-CG 3.49Å; R125-L129 PolarHBondContact O-N 3.28Å; V126-L129 PolarHBondContact O-N 3.37Å; R127-L129 VanDerWaalsContact C-N 3.32Å; R127-L129 PolarHBondContact O-N 2.9Å; L129-Q131 VanDerWaalsContact C-N 3.33Å; L129-Q131 PolarHBondContact O-N 3.28Å; L129-K132 PolarHBondContact O-N 3.27Å; L129-A133 PolarHBondContact O-N 3.36Å
130F96.1Very high94Very high0 Ų058.6 Ų58.60%028%0.279CS..Hα-helixtrans-63.9-36.7174.2-72.6-53.7000112.6C105 A108 K109 Y122 V126 R127 A133 V134 T163 L166 L167C105-F130 HydrophobicContact CB-CE1 4.49Å; A108-F130 HydrophobicContact CB-CD1 3.84Å; A108-F130 HydrophobicContact CB-CD2 3.99Å; A108-F130 HydrophobicContact CB-CE1 3.57Å; A108-F130 HydrophobicContact CB-CE2 3.73Å; A108-F130 HydrophobicContact CB-CG 4.04Å; A108-F130 HydrophobicContact CB-CZ 3.51Å; K109-F130 HydrophobicContact CG-CE1 4.34Å; K109-F130 HydrophobicContact CG-CZ 4.11Å; Y122-F130 HydrophobicContact CD2-CD2 4.06Å; Y122-F130 AromaticContact CD2-CE2 3.76Å; Y122-F130 HydrophobicContact CD2-CE2 3.76Å; Y122-F130 HydrophobicContact CE2-CD2 4.04Å; Y122-F130 AromaticContact CE2-CE2 3.39Å; Y122-F130 HydrophobicContact CE2-CE2 3.39Å; Y122-F130 HydrophobicContact CE2-CZ 4.23Å; V126-F130 HydrophobicContact CG1-CD2 3.91Å; V126-F130 HydrophobicContact CG1-CE2 3.51Å; V126-F130 HydrophobicContact CG1-CZ 4.49Å; V126-F130 WeakPolarHBondContact O-CD2 3.5Å; V126-F130 PolarHBondContact O-N 2.89Å; V126-F130 VanDerWaalsContact O-N 3.14Å; R127-F130 PolarHBondContact O-N 3.17Å; F130-A133 WeakPolarHBondContact O-CB 3.47Å; F130-A133 PolarHBondContact O-N 2.97Å; F130-V134 WeakPolarHBondContact O-CG2 3.42Å; F130-V134 PolarHBondContact O-N 3Å; F130-T163 HydrophobicContact CB-CG2 4.38Å; F130-T163 HydrophobicContact CD1-CG2 4.21Å; F130-L166 HydrophobicContact CD1-CB 4.34Å; F130-L166 HydrophobicContact CD1-CD1 4.39Å; F130-L166 HydrophobicContact CE1-CB 4.05Å; F130-L166 HydrophobicContact CE1-CD1 3.58Å; F130-L166 HydrophobicContact CE1-CG 4.4Å; F130-L166 HydrophobicContact CE2-CB 4.22Å; F130-L166 HydrophobicContact CZ-CB 3.98Å; F130-L166 HydrophobicContact CZ-CD1 3.85Å; F130-L166 HydrophobicContact CZ-CG 4.35Å; F130-L167 HydrophobicContact CB-CD1 4.14Å; F130-L167 HydrophobicContact CB-CD2 3.57Å; F130-L167 HydrophobicContact CB-CG 3.73Å
131Q98.3Very high95.2Very high95 Ų9554.9 Ų54.944%0.44426%0.255SS..Hα-helixtrans-64-40.6174-73.9172.9-13.500112.2R127 E128 L129 A133 V134 Q135 L167R127-Q131 WeakPolarHBondContact O-CG 3.47Å; R127-Q131 PolarHBondContact O-N 3.04Å; E128-Q131 PolarHBondContact O-N 3.45Å; L129-Q131 VanDerWaalsContact C-N 3.33Å; L129-Q131 PolarHBondContact O-N 3.28Å; Q131-A133 VanDerWaalsContact C-N 3.3Å; Q131-A133 PolarHBondContact O-N 3.49Å; Q131-V134 PolarHBondContact O-N 2.58Å; Q131-Q135 WeakPolarHBondContact O-CG 3.24Å; Q131-Q135 PolarHBondContact O-N 2.93Å; Q131-L167 HydrophobicContact CG-CD2 4.23Å
132K98.6Very high95.9Very high92 Ų9255.4 Ų55.440%0.425%0.253SS..Hα-helixtrans-62.1-39.9172.1-72.3176.5-175.4178.70111.4Y104 E128 L129 Q135 C136Y104-K132 HydrophobicContact CD1-CB 4.22Å; Y104-K132 HydrophobicContact CD1-CD 4.43Å; Y104-K132 HydrophobicContact CD2-CB 3.82Å; Y104-K132 HydrophobicContact CE1-CB 4.31Å; Y104-K132 HydrophobicContact CE1-CD 3.94Å; Y104-K132 HydrophobicContact CE2-CB 3.9Å; Y104-K132 HydrophobicContact CG-CB 4.01Å; E128-K132 WeakPolarHBondContact O-CG 3.49Å; E128-K132 PolarHBondContact O-N 2.79Å; L129-K132 PolarHBondContact O-N 3.27Å; K132-Q135 PolarHBondContact O-N 3.31Å; K132-C136 PolarHBondContact O-N 3.22Å; K132-C136 VanDerWaalsContact O-N 3.07Å; K132-C136 PolarHBondContact O-SG 2.96Å; K132-C136 VanDerWaalsContact O-SG 3.41Å
133A98.2Very high96.4Very high0 Ų056 Ų560%026%0.256CS..Hα-helixtrans-61.8-44.4174.900000112.2A101 C105 L129 F130 Q131 Q135 C136 Y137 T163A101-A133 HydrophobicContact CB-CB 4.44Å; A101-A133 WeakPolarHBondContact CB-O 3.23Å; A101-A133 WeakPolarHBondContact O-CB 3.39Å; C105-A133 WeakPolarHBondContact SG-CB 3.38Å; L129-A133 PolarHBondContact O-N 3.36Å; F130-A133 WeakPolarHBondContact O-CB 3.47Å; F130-A133 PolarHBondContact O-N 2.97Å; Q131-A133 VanDerWaalsContact C-N 3.3Å; Q131-A133 PolarHBondContact O-N 3.49Å; A133-Q135 PolarHBondContact O-N 3.04Å; A133-C136 PolarHBondContact O-N 3.17Å; A133-Y137 WeakPolarHBondContact O-CB 3.45Å; A133-Y137 WeakPolarHBondContact O-CD2 3.01Å; A133-Y137 PolarHBondContact O-N 3.44Å; A133-T163 HydrophobicContact CB-CG2 4.01Å
134V98.7Very high96.6Very high12 Ų1253.8 Ų53.87%0.07324%0.242CC..Hα-helixtrans-55.7-51.6174.3167.20000111F130 Q131 C136 Y137 E138 L160 T163 Y164 L167F130-V134 WeakPolarHBondContact O-CG2 3.42Å; F130-V134 PolarHBondContact O-N 3Å; Q131-V134 PolarHBondContact O-N 2.58Å; V134-C136 VanDerWaalsContact C-N 3.31Å; V134-C136 PolarHBondContact O-N 3.45Å; V134-Y137 PolarHBondContact O-N 3.31Å; V134-Y137 VanDerWaalsContact O-N 3.16Å; V134-E138 HydrophobicContact CG1-CG 4.16Å; V134-E138 WeakPolarHBondContact O-CB 3.07Å; V134-E138 WeakPolarHBondContact O-CG 3.4Å; V134-E138 PolarHBondContact O-N 3.48Å; V134-L160 HydrophobicContact CB-CD1 4.24Å; V134-L160 HydrophobicContact CG1-CD1 4.1Å; V134-L160 HydrophobicContact CG2-CD1 4.07Å; V134-T163 HydrophobicContact CG2-CG2 3.65Å; V134-Y164 HydrophobicContact CG1-CE1 3.96Å; V134-Y164 HydrophobicContact CG1-CE2 4.4Å; V134-Y164 WeakPolarHBondContact CG1-OH 3.42Å; V134-Y164 HydrophobicContact CG2-CD1 4.33Å; V134-Y164 HydrophobicContact CG2-CE1 4.13Å; V134-L167 HydrophobicContact CG2-CD1 3.58Å
135Q98.7Very high96.8Very high117 Ų11753.6 Ų53.655%0.54724%0.236SC..Hα-helixtrans-57-44.9180-68.9170.717.600111.8Q131 K132 A133 M139Q131-Q135 WeakPolarHBondContact O-CG 3.24Å; Q131-Q135 PolarHBondContact O-N 2.93Å; K132-Q135 PolarHBondContact O-N 3.31Å; A133-Q135 PolarHBondContact O-N 3.04Å; Q135-M139 VanDerWaalsContact O-CG 3.27Å; Q135-M139 WeakPolarHBondContact O-CG 3.31Å; Q135-M139 PolarHBondContact O-N 2.91Å; Q135-M139 VanDerWaalsContact O-N 3.09Å
136C98.4Very high96.9Very high16 Ų1650.8 Ų50.811%0.10823%0.229CC..Hα-helixtrans-65.4-44.3177.4-69.10000112Y97 L100 A101 K132 A133 V134 M139 S140Y97-C136 WeakPolarHBondContact CB-O 3.39Å; Y97-C136 HydrophobicContact CD1-CB 4.37Å; Y97-C136 WeakPolarHBondContact O-CB 3.49Å; L100-C136 HydrophobicContact CB-CB 4.38Å; A101-C136 HydrophobicContact CB-CB 3.65Å; K132-C136 PolarHBondContact O-N 3.22Å; K132-C136 VanDerWaalsContact O-N 3.07Å; K132-C136 PolarHBondContact O-SG 2.96Å; K132-C136 VanDerWaalsContact O-SG 3.41Å; A133-C136 PolarHBondContact O-N 3.17Å; V134-C136 VanDerWaalsContact C-N 3.31Å; V134-C136 PolarHBondContact O-N 3.45Å; C136-M139 PolarHBondContact O-N 3.33Å; C136-S140 WeakPolarHBondContact O-CB 3.5Å; C136-S140 PolarHBondContact O-N 3.01Å
137Y98.2Very high96.9Very high11 Ų1153.9 Ų53.94%0.04325%0.246CC..Hα-helixtrans-65-39.2176.7-81.8-44.4000112.9Y98 A101 G102 A133 V134 M139 S140 L141 I156 N159 L160 T163Y98-Y137 AromaticContact CD2-CD1 3.88Å; Y98-Y137 HydrophobicContact CD2-CD1 3.88Å; Y98-Y137 AromaticContact CD2-CE1 3.53Å; Y98-Y137 HydrophobicContact CD2-CE1 3.53Å; Y98-Y137 HydrophobicContact CE2-CD1 4.28Å; Y98-Y137 AromaticContact CE2-CE1 3.67Å; Y98-Y137 HydrophobicContact CE2-CE1 3.67Å; Y98-Y137 HydrophobicContact CG-CE1 4.29Å; A101-Y137 HydrophobicContact CB-CD1 3.43Å; A101-Y137 VanDerWaalsContact CB-CD1 3.43Å; A101-Y137 HydrophobicContact CB-CD2 3.56Å; A101-Y137 HydrophobicContact CB-CE1 3.41Å; A101-Y137 VanDerWaalsContact CB-CE1 3.41Å; A101-Y137 HydrophobicContact CB-CE2 3.54Å; A101-Y137 HydrophobicContact CB-CG 3.48Å; A101-Y137 VanDerWaalsContact CB-CG 3.48Å; A101-Y137 VanDerWaalsContact CB-CZ 3.45Å; G102-Y137 PolarHBondContact N-OH 3.4Å; A133-Y137 WeakPolarHBondContact O-CB 3.45Å; A133-Y137 WeakPolarHBondContact O-CD2 3.01Å; A133-Y137 PolarHBondContact O-N 3.44Å; V134-Y137 PolarHBondContact O-N 3.31Å; V134-Y137 VanDerWaalsContact O-N 3.16Å; Y137-M139 VanDerWaalsContact C-N 3.34Å; Y137-M139 PolarHBondContact O-N 3.27Å; Y137-S140 WeakPolarHBondContact O-CB 3.45Å; Y137-S140 PolarHBondContact O-N 3.49Å; Y137-L141 VanDerWaalsContact O-CB 3.27Å; Y137-L141 WeakPolarHBondContact O-CB 3.5Å; Y137-L141 PolarHBondContact O-N 3.39Å; Y137-I156 HydrophobicContact CD1-CG2 4.22Å; Y137-I156 WeakPolarHBondContact O-CG2 3.33Å; Y137-N159 HydrophobicContact CE1-CB 4.07Å; Y137-N159 HydrophobicContact CE2-CB 4.24Å; Y137-L160 HydrophobicContact CD2-CB 4.41Å; Y137-L160 HydrophobicContact CD2-CD1 4.34Å; Y137-L160 HydrophobicContact CG-CB 4.34Å; Y137-L160 HydrophobicContact CG-CD1 4.48Å; Y137-T163 WeakPolarHBondContact CE2-OG1 3.33Å
138E98.5Very high96.7Very high90 Ų9052.4 Ų52.442%0.42126%0.259SS..Hα-helixtrans-62.2-41.6175.2-74.6178.8150.800111.5V134 L141 K142 L160 Y164V134-E138 HydrophobicContact CG1-CG 4.16Å; V134-E138 WeakPolarHBondContact O-CB 3.07Å; V134-E138 WeakPolarHBondContact O-CG 3.4Å; V134-E138 PolarHBondContact O-N 3.48Å; E138-L141 PolarHBondContact O-N 2.89Å; E138-K142 WeakPolarHBondContact O-CB 3.18Å; E138-K142 PolarHBondContact O-N 2.75Å; E138-L160 HydrophobicContact CG-CD2 4.17Å; E138-Y164 PolarHBondContact OE1-OH 2.98Å
139M98.3Very high96.1Very high80 Ų8051.5 Ų51.539%0.39426%0.257SS..Hα-helixtrans-64.4-43.4174.5-70.1-62.6-7300111.7Y97 Q135 C136 Y137 I143Y97-M139 HydrophobicContact CD1-CB 4.12Å; Y97-M139 HydrophobicContact CD2-CB 3.85Å; Y97-M139 HydrophobicContact CE1-CB 4.25Å; Y97-M139 HydrophobicContact CE2-CB 3.98Å; Y97-M139 HydrophobicContact CE2-CE 4.27Å; Y97-M139 HydrophobicContact CG-CB 3.94Å; Q135-M139 VanDerWaalsContact O-CG 3.27Å; Q135-M139 WeakPolarHBondContact O-CG 3.31Å; Q135-M139 PolarHBondContact O-N 2.91Å; Q135-M139 VanDerWaalsContact O-N 3.09Å; C136-M139 PolarHBondContact O-N 3.33Å; Y137-M139 VanDerWaalsContact C-N 3.34Å; Y137-M139 PolarHBondContact O-N 3.27Å; M139-I143 VanDerWaalsContact O-CG1 3.31Å; M139-I143 WeakPolarHBondContact O-CG1 3.26Å; M139-I143 PolarHBondContact O-N 3.04Å
140S96.3Very high95.6Very high1 Ų155 Ų551%0.00727%0.269CS..Hα-helixtrans-59.7-48.1173.9-1690000111.1A94 C136 Y137 K142 I143 S144 I156A94-S140 WeakPolarHBondContact O-CB 3.08Å; A94-S140 PolarHBondContact O-OG 2.84Å; C136-S140 WeakPolarHBondContact O-CB 3.5Å; C136-S140 PolarHBondContact O-N 3.01Å; Y137-S140 WeakPolarHBondContact O-CB 3.45Å; Y137-S140 PolarHBondContact O-N 3.49Å; S140-K142 PolarHBondContact O-N 3.29Å; S140-I143 PolarHBondContact O-N 2.93Å; S140-S144 WeakPolarHBondContact O-CB 3.35Å; S140-S144 PolarHBondContact O-N 2.95Å; S140-S144 PolarHBondContact O-OG 3.05Å; S140-S144 VanDerWaalsContact O-OG 3.12Å; S140-I156 VanDerWaalsContact OG-CD1 3.26Å; S140-I156 WeakPolarHBondContact OG-CD1 3.17Å
141L96.8Very high94.9Very high11 Ų1158.9 Ų58.96%0.05829%0.289CS..Hα-helixtrans-60.5-45.4-179.1-175.459.8000111.7Y137 E138 I143 S144 R145 E153 I156 L160 L176Y137-L141 VanDerWaalsContact O-CB 3.27Å; Y137-L141 WeakPolarHBondContact O-CB 3.5Å; Y137-L141 PolarHBondContact O-N 3.39Å; E138-L141 PolarHBondContact O-N 2.89Å; L141-I143 PolarHBondContact O-N 3.17Å; L141-S144 PolarHBondContact O-N 3.15Å; L141-R145 WeakPolarHBondContact O-CG 3.26Å; L141-R145 PolarHBondContact O-N 2.98Å; L141-E153 HydrophobicContact CD1-CB 4.39Å; L141-E153 HydrophobicContact CD1-CG 3.67Å; L141-I156 HydrophobicContact CB-CG2 3.71Å; L141-I156 HydrophobicContact CD1-CB 4.15Å; L141-I156 HydrophobicContact CD1-CG2 4.07Å; L141-I156 HydrophobicContact CG-CG2 4.39Å; L141-L160 HydrophobicContact CD2-CD2 4.09Å; L141-L176 HydrophobicContact CD2-CD2 4.46Å
142K98Very high94.3Very high121 Ų12155.3 Ų55.353%0.52627%0.273SS..Hα-helixtrans-57.4-50.2177.5-179.3-178.1175.8-176.40110.8E138 S140 R145 E146E138-K142 WeakPolarHBondContact O-CB 3.18Å; E138-K142 PolarHBondContact O-N 2.75Å; S140-K142 PolarHBondContact O-N 3.29Å; K142-R145 PolarHBondContact O-N 2.66Å; K142-E146 VanDerWaalsContact CE-OE1 3.3Å; K142-E146 WeakPolarHBondContact CE-OE1 3.38Å; K142-E146 VanDerWaalsContact O-CG 3.29Å; K142-E146 WeakPolarHBondContact O-CG 3.24Å; K142-E146 PolarHBondContact O-N 3.27Å; K142-E146 VanDerWaalsContact O-N 3.08Å
143I95.7Very high93.9Very high18 Ų1851.6 Ų51.69%0.09226%0.257CS..Hα-helixtrans-66.8-42.4-178.8-60.5166000110.7R90 V93 A94 Y97 M139 S140 L141 R145 E146 L147R90-I143 HydrophobicContact CB-CG2 4.12Å; R90-I143 WeakPolarHBondContact O-CG2 3.38Å; V93-I143 HydrophobicContact CB-CD1 4.37Å; V93-I143 HydrophobicContact CG1-CD1 3.66Å; A94-I143 HydrophobicContact CB-CB 3.92Å; A94-I143 HydrophobicContact CB-CG2 3.79Å; Y97-I143 HydrophobicContact CD2-CD1 4.08Å; Y97-I143 HydrophobicContact CE2-CD1 4.18Å; M139-I143 VanDerWaalsContact O-CG1 3.31Å; M139-I143 WeakPolarHBondContact O-CG1 3.26Å; M139-I143 PolarHBondContact O-N 3.04Å; S140-I143 PolarHBondContact O-N 2.93Å; L141-I143 PolarHBondContact O-N 3.17Å; I143-R145 VanDerWaalsContact C-N 3.3Å; I143-R145 PolarHBondContact O-N 3.43Å; I143-E146 WeakPolarHBondContact CA-OE2 3.42Å; I143-E146 PolarHBondContact O-N 2.51Å; I143-L147 HydrophobicContact CG2-CD1 3.82Å; I143-L147 HydrophobicContact CG2-CG 4.27Å; I143-L147 VanDerWaalsContact O-CG 3.28Å; I143-L147 WeakPolarHBondContact O-CG 3.39Å; I143-L147 PolarHBondContact O-N 3.25Å
144S93.7Very high93.4Very high1 Ų151.8 Ų51.81%0.00726%0.259CS..Hα-helixtrans-61.8-36.2178.1-65.80000113.1S140 L141 L147 G148 N149 I152 I156S140-S144 WeakPolarHBondContact O-CB 3.35Å; S140-S144 PolarHBondContact O-N 2.95Å; S140-S144 PolarHBondContact O-OG 3.05Å; S140-S144 VanDerWaalsContact O-OG 3.12Å; L141-S144 PolarHBondContact O-N 3.15Å; S144-L147 PolarHBondContact O-N 3.11Å; S144-G148 PolarHBondContact O-N 3.4Å; S144-G148 VanDerWaalsContact O-N 3.12Å; S144-N149 PolarHBondContact O-N 3.21Å; S144-N149 VanDerWaalsContact O-N 3.11Å; S144-I152 WeakPolarHBondContact OG-CG2 3.45Å; S144-I156 VanDerWaalsContact OG-CD1 3.3Å; S144-I156 WeakPolarHBondContact OG-CD1 3.49Å
145R95.8Very high92.8Very high113 Ų11352.3 Ų52.343%0.42626%0.26SS..Hα-helixtrans-66.3-44.3172.4-77.4176.4169.9159.72.8112.3L141 K142 I143 L147 G148 E153L141-R145 WeakPolarHBondContact O-CG 3.26Å; L141-R145 PolarHBondContact O-N 2.98Å; K142-R145 PolarHBondContact O-N 2.66Å; I143-R145 VanDerWaalsContact C-N 3.3Å; I143-R145 PolarHBondContact O-N 3.43Å; R145-L147 PolarHBondContact O-N 3.08Å; R145-G148 PolarHBondContact O-N 3.46Å; R145-E153 HydrophobicContact CG-CG 4.17Å; R145-E153 IonicContact CZ-OE1 3.69Å; R145-E153 IonicContact NE-OE1 2.78Å; R145-E153 PolarHBondContact NE-OE1 3.35Å; R145-E153 IonicContact NH2-OE1 2.76Å; R145-E153 PolarHBondContact NH2-OE1 3.17Å
146E96.1Very high92.5Very high99 Ų9946.7 Ų46.746%0.46323%0.234SC..Hα-helixtrans-63.3-28.9176.8-68.6163.415500112R90 K142 I143R90-E146 IonicContact CZ-OE2 2.7Å; R90-E146 IonicContact NH2-OE1 3.44Å; R90-E146 IonicContact NH2-OE2 3.67Å; R90-E146 PolarHBondContact NH2-OE2 3.06Å; K142-E146 VanDerWaalsContact CE-OE1 3.3Å; K142-E146 WeakPolarHBondContact CE-OE1 3.38Å; K142-E146 VanDerWaalsContact O-CG 3.29Å; K142-E146 WeakPolarHBondContact O-CG 3.24Å; K142-E146 PolarHBondContact O-N 3.27Å; K142-E146 VanDerWaalsContact O-N 3.08Å; I143-E146 WeakPolarHBondContact CA-OE2 3.42Å; I143-E146 PolarHBondContact O-N 2.51Å
147L92.7Very high92.3Very high67 Ų6746 Ų4635%0.35123%0.229SC..THydrogen-bonded Turntrans-85.1-7.7174.3-66171.6000113.7R90 E91 I143 S144 R145 N149R90-L147 HydrophobicContact CB-CD1 4.28Å; R90-L147 HydrophobicContact CB-CD2 4.11Å; E91-L147 HydrophobicContact CB-CD1 4.38Å; E91-L147 HydrophobicContact CG-CD1 3.75Å; E91-L147 HydrophobicContact CG-CD2 4.48Å; I143-L147 HydrophobicContact CG2-CD1 3.82Å; I143-L147 HydrophobicContact CG2-CG 4.27Å; I143-L147 VanDerWaalsContact O-CG 3.28Å; I143-L147 WeakPolarHBondContact O-CG 3.39Å; I143-L147 PolarHBondContact O-N 3.25Å; S144-L147 PolarHBondContact O-N 3.11Å; R145-L147 PolarHBondContact O-N 3.08Å; L147-N149 PolarHBondContact O-N 2.93Å
148G90.5Very high91.9Very high61 Ų6145.6 Ų45.663%0.62923%0.228SC*.THydrogen-bonded Turntrans67.917.4-178.900000114.7S144 R145 R150S144-G148 PolarHBondContact O-N 3.4Å; S144-G148 VanDerWaalsContact O-N 3.12Å; R145-G148 PolarHBondContact O-N 3.46Å; G148-R150 PolarHBondContact O-N 3.47Å; G148-R150 VanDerWaalsContact O-N 3.12Å
149N83.8Confident91.5Very high61 Ų6143.1 Ų43.133%0.32622%0.218SC..  trans-86.189.5-179.8-166.3-39.1000111.1S144 L147 L151 I152 E153S144-N149 PolarHBondContact O-N 3.21Å; S144-N149 VanDerWaalsContact O-N 3.11Å; L147-N149 PolarHBondContact O-N 2.93Å; N149-L151 PolarHBondContact O-N 3.45Å; N149-L151 PolarHBondContact OD1-N 2.68Å; N149-I152 HydrophobicContact CB-CB 4.31Å; N149-I152 HydrophobicContact CB-CD1 3.69Å; N149-I152 HydrophobicContact CB-CG1 4.19Å; N149-I152 VanDerWaalsContact CG-CG1 3.43Å; N149-I152 WeakPolarHBondContact ND2-CD1 3.1Å; N149-I152 PolarHBondContact O-N 2.82Å; N149-I152 WeakPolarHBondContact OD1-CG1 3.49Å; N149-I152 PolarHBondContact OD1-N 2.84Å; N149-I152 VanDerWaalsContact OD1-N 3.1Å; N149-E153 WeakPolarHBondContact O-CB 3.29Å; N149-E153 PolarHBondContact O-N 2.96Å
150R86.4Confident91.5Very high89 Ų8939.5 Ų39.534%0.33620%0.2SC..Hα-helixtrans-63.6-36.1-175.8-164.270.4178.3162.7-3113.1G148 E153 G154 M183 E186 Y187G148-R150 PolarHBondContact O-N 3.47Å; G148-R150 VanDerWaalsContact O-N 3.12Å; R150-E153 WeakPolarHBondContact CD-OE2 3.12Å; R150-E153 IonicContact CZ-OE2 2.88Å; R150-E153 IonicContact NE-OE2 3.56Å; R150-E153 VanDerWaalsContact NH1-CD 3.3Å; R150-E153 IonicContact NH1-OE1 3.11Å; R150-E153 PolarHBondContact NH1-OE1 2.79Å; R150-E153 IonicContact NH1-OE2 3.47Å; R150-E153 PolarHBondContact NH1-OE2 3.03Å; R150-E153 PolarHBondContact O-N 3.37Å; R150-G154 PolarHBondContact O-N 3.04Å; R150-M183 HydrophobicContact CB-CE 4.44Å; R150-M183 HydrophobicContact CG-CE 3.66Å; R150-M183 WeakPolarHBondContact O-CE 3.46Å; R150-E186 IonicContact NE-OE2 2.56Å; R150-Y187 HydrophobicContact CB-CE2 4.34Å; R150-Y187 WeakPolarHBondContact CB-OH 3.36Å; R150-Y187 HydrophobicContact CG-CE2 3.96Å
151L81.4Confident91.4Very high82 Ų8239.4 Ų39.443%0.42920%0.2SC..Hα-helixtrans-64.7-45.2177.9-113.8165.1000111.8N149 G154 R155 Y187N149-L151 PolarHBondContact O-N 3.45Å; N149-L151 PolarHBondContact OD1-N 2.68Å; L151-G154 PolarHBondContact O-N 2.79Å; L151-R155 PolarHBondContact O-N 2.86Å; L151-Y187 HydrophobicContact CG-CE2 4.38Å
152I84.9Confident91.1Very high19 Ų1941.4 Ų41.410%0.09721%0.21CC..Hα-helixtrans-65.3-46.3175.2-61167.4000110.4S144 N149 G154 R155 I156 F406S144-I152 WeakPolarHBondContact OG-CG2 3.45Å; N149-I152 HydrophobicContact CB-CB 4.31Å; N149-I152 HydrophobicContact CB-CD1 3.69Å; N149-I152 HydrophobicContact CB-CG1 4.19Å; N149-I152 VanDerWaalsContact CG-CG1 3.43Å; N149-I152 WeakPolarHBondContact ND2-CD1 3.1Å; N149-I152 PolarHBondContact O-N 2.82Å; N149-I152 WeakPolarHBondContact OD1-CG1 3.49Å; N149-I152 PolarHBondContact OD1-N 2.84Å; N149-I152 VanDerWaalsContact OD1-N 3.1Å; I152-G154 PolarHBondContact O-N 3.03Å; I152-R155 PolarHBondContact O-N 3.24Å; I152-I156 HydrophobicContact CG2-CD1 3.55Å; I152-I156 HydrophobicContact CG2-CG1 4.03Å; I152-I156 WeakPolarHBondContact O-CG1 3.47Å; I152-I156 PolarHBondContact O-N 2.99Å; I152-F406 HydrophobicContact CD1-CD2 3.95Å; I152-F406 HydrophobicContact CD1-CE1 3.99Å; I152-F406 HydrophobicContact CD1-CE2 3.12Å; I152-F406 HydrophobicContact CD1-CZ 3.15Å; I152-F406 HydrophobicContact CG1-CD2 3.92Å; I152-F406 HydrophobicContact CG1-CE1 4.31Å; I152-F406 HydrophobicContact CG1-CE2 3.62Å; I152-F406 HydrophobicContact CG1-CG 4.46Å; I152-F406 HydrophobicContact CG1-CZ 3.84Å
153E90.6Very high90.9Very high14 Ų1435.7 Ų35.77%0.06519%0.186CC..Hα-helixtrans-52.8-43.2178.9174.3-170.7-17200110.6L141 R145 N149 R150 R155 I156 C157 M183L141-E153 HydrophobicContact CD1-CB 4.39Å; L141-E153 HydrophobicContact CD1-CG 3.67Å; R145-E153 HydrophobicContact CG-CG 4.17Å; R145-E153 IonicContact CZ-OE1 3.69Å; R145-E153 IonicContact NE-OE1 2.78Å; R145-E153 PolarHBondContact NE-OE1 3.35Å; R145-E153 IonicContact NH2-OE1 2.76Å; R145-E153 PolarHBondContact NH2-OE1 3.17Å; N149-E153 WeakPolarHBondContact O-CB 3.29Å; N149-E153 PolarHBondContact O-N 2.96Å; R150-E153 WeakPolarHBondContact CD-OE2 3.12Å; R150-E153 IonicContact CZ-OE2 2.88Å; R150-E153 IonicContact NE-OE2 3.56Å; R150-E153 VanDerWaalsContact NH1-CD 3.3Å; R150-E153 IonicContact NH1-OE1 3.11Å; R150-E153 PolarHBondContact NH1-OE1 2.79Å; R150-E153 IonicContact NH1-OE2 3.47Å; R150-E153 PolarHBondContact NH1-OE2 3.03Å; R150-E153 PolarHBondContact O-N 3.37Å; E153-R155 PolarHBondContact O-N 3.24Å; E153-I156 PolarHBondContact O-N 3.39Å; E153-C157 WeakPolarHBondContact O-CB 3.4Å; E153-C157 PolarHBondContact O-N 2.83Å; E153-C157 PolarHBondContact O-SG 3.46Å; E153-M183 HydrophobicContact CB-CE 3.63Å; E153-M183 VanDerWaalsContact CD-CE 3.48Å; E153-M183 HydrophobicContact CG-CE 3.5Å; E153-M183 HydrophobicContact CG-SD 4.37Å; E153-M183 WeakPolarHBondContact OE2-CE 3.38Å
154G88.2Confident91Very high4 Ų436.6 Ų36.64%0.04119%0.188CC..Hα-helixtrans-59.1-47.4176.900000112.6R150 L151 I152 I156 C157 G158 R180 M183R150-G154 PolarHBondContact O-N 3.04Å; L151-G154 PolarHBondContact O-N 2.79Å; I152-G154 PolarHBondContact O-N 3.03Å; G154-I156 PolarHBondContact O-N 3.36Å; G154-C157 PolarHBondContact O-N 2.9Å; G154-G158 PolarHBondContact O-N 2.93Å; G154-R180 WeakPolarHBondContact O-CD 3.46Å; G154-M183 WeakPolarHBondContact CA-SD 3.35Å
155R86.7Confident90.9Very high23 Ų2337.8 Ų37.89%0.08719%0.193CC..Hα-helixtrans-61.8-45.6178.4-65.9-176.3-164.5153.510.1112.1L151 I152 E153 C157 G158 N159 F402L151-R155 PolarHBondContact O-N 2.86Å; I152-R155 PolarHBondContact O-N 3.24Å; E153-R155 PolarHBondContact O-N 3.24Å; R155-C157 VanDerWaalsContact C-N 3.34Å; R155-C157 PolarHBondContact O-N 3.44Å; R155-G158 PolarHBondContact O-N 2.99Å; R155-G158 VanDerWaalsContact O-N 3.15Å; R155-N159 PolarHBondContact O-N 3.38Å; R155-F402 VanDerWaalsContact CZ-CB 3.46Å; R155-F402 VanDerWaalsContact NH1-C 3.31Å; R155-F402 PolarHBondContact NH1-O 3.34Å; R155-F402 VanDerWaalsContact NH2-CB 3.3Å
156I91.2Very high90.6Very high0 Ų032.9 Ų32.90%018%0.175CC..Hα-helixtrans-60.1-45.7176.9-59.6167.4000110.3Y98 Y137 S140 L141 S144 I152 E153 G154 G158 N159 L160Y98-I156 HydrophobicContact CD2-CG1 3.81Å; Y98-I156 HydrophobicContact CE2-CG1 4.01Å; Y137-I156 HydrophobicContact CD1-CG2 4.22Å; Y137-I156 WeakPolarHBondContact O-CG2 3.33Å; S140-I156 VanDerWaalsContact OG-CD1 3.26Å; S140-I156 WeakPolarHBondContact OG-CD1 3.17Å; L141-I156 HydrophobicContact CB-CG2 3.71Å; L141-I156 HydrophobicContact CD1-CB 4.15Å; L141-I156 HydrophobicContact CD1-CG2 4.07Å; L141-I156 HydrophobicContact CG-CG2 4.39Å; S144-I156 VanDerWaalsContact OG-CD1 3.3Å; S144-I156 WeakPolarHBondContact OG-CD1 3.49Å; I152-I156 HydrophobicContact CG2-CD1 3.55Å; I152-I156 HydrophobicContact CG2-CG1 4.03Å; I152-I156 WeakPolarHBondContact O-CG1 3.47Å; I152-I156 PolarHBondContact O-N 2.99Å; E153-I156 PolarHBondContact O-N 3.39Å; G154-I156 PolarHBondContact O-N 3.36Å; I156-G158 VanDerWaalsContact C-N 3.3Å; I156-G158 PolarHBondContact O-N 3.31Å; I156-N159 PolarHBondContact O-N 2.83Å; I156-L160 WeakPolarHBondContact O-CB 3.39Å; I156-L160 PolarHBondContact O-N 3.34Å
157C95.2Very high90.5Very high0 Ų030.4 Ų30.40%017%0.165CC..Hα-helixtrans-57.9-42.1175.9-73.70000112.1E153 G154 R155 G161 L176 Q179E153-C157 WeakPolarHBondContact O-CB 3.4Å; E153-C157 PolarHBondContact O-N 2.83Å; E153-C157 PolarHBondContact O-SG 3.46Å; G154-C157 PolarHBondContact O-N 2.9Å; R155-C157 VanDerWaalsContact C-N 3.34Å; R155-C157 PolarHBondContact O-N 3.44Å; C157-G161 PolarHBondContact O-N 3.28Å; C157-L176 HydrophobicContact CB-CD2 4.31Å; C157-Q179 HydrophobicContact CB-CB 4.49Å
158G89.1Confident90.3Very high4 Ų428.5 Ų28.54%0.04116%0.161CC..Hα-helixtrans-59.9-50.4175.800000112.8G154 R155 I156 G161 N162 H177G154-G158 PolarHBondContact O-N 2.93Å; R155-G158 PolarHBondContact O-N 2.99Å; R155-G158 VanDerWaalsContact O-N 3.15Å; I156-G158 VanDerWaalsContact C-N 3.3Å; I156-G158 PolarHBondContact O-N 3.31Å; G158-G161 PolarHBondContact O-N 3.14Å; G158-N162 PolarHBondContact O-N 3.36Å; G158-H177 PolarHBondContact O-CE1 3.33Å
159N91Very high90.5Very high37 Ų3729 Ų2920%0.19815%0.149CC..Hα-helixtrans-75.1-35.8-176.4-75.2-22.2000113.4Y98 Y137 R155 I156 G161 N162 T163Y98-N159 PolarHBondContact OH-ND2 2.83Å; Y137-N159 HydrophobicContact CE1-CB 4.07Å; Y137-N159 HydrophobicContact CE2-CB 4.24Å; R155-N159 PolarHBondContact O-N 3.38Å; I156-N159 PolarHBondContact O-N 2.83Å; N159-G161 VanDerWaalsContact C-N 3.34Å; N159-N162 PolarHBondContact O-N 3.06Å; N159-T163 PolarHBondContact O-N 3.47Å; N159-T163 PolarHBondContact O-OG1 3.32Å
160L96.9Very high91Very high4 Ų427.1 Ų27.12%0.02114%0.138CC..Hα-helixtrans-64.5-40.7170.7-177.856.9000110.8V134 Y137 E138 L141 I156 T163 Y164 L176V134-L160 HydrophobicContact CB-CD1 4.24Å; V134-L160 HydrophobicContact CG1-CD1 4.1Å; V134-L160 HydrophobicContact CG2-CD1 4.07Å; Y137-L160 HydrophobicContact CD2-CB 4.41Å; Y137-L160 HydrophobicContact CD2-CD1 4.34Å; Y137-L160 HydrophobicContact CG-CB 4.34Å; Y137-L160 HydrophobicContact CG-CD1 4.48Å; E138-L160 HydrophobicContact CG-CD2 4.17Å; L141-L160 HydrophobicContact CD2-CD2 4.09Å; I156-L160 WeakPolarHBondContact O-CB 3.39Å; I156-L160 PolarHBondContact O-N 3.34Å; L160-T163 WeakPolarHBondContact O-CB 3.49Å; L160-T163 PolarHBondContact O-N 2.9Å; L160-T163 VanDerWaalsContact O-N 3.1Å; L160-Y164 HydrophobicContact CD1-CD2 3.91Å; L160-Y164 HydrophobicContact CD1-CE2 3.54Å; L160-Y164 HydrophobicContact CD2-CE2 4.11Å; L160-Y164 HydrophobicContact CG-CD2 3.9Å; L160-Y164 HydrophobicContact CG-CE2 3.64Å; L160-Y164 WeakPolarHBondContact O-CD2 3.41Å; L160-Y164 PolarHBondContact O-N 3.47Å; L160-L176 HydrophobicContact CB-CD1 4.11Å; L160-L176 HydrophobicContact CD2-CD1 3.88Å; L160-L176 HydrophobicContact CD2-CD2 4.05Å; L160-L176 HydrophobicContact CG-CD1 3.58Å
161G95.5Very high91.6Very high0 Ų031.6 Ų31.60%016%0.155CC..Hα-helixtrans-59.5-46.6174.100000112.1C157 G158 N159 T163 Y164 Y165 A173C157-G161 PolarHBondContact O-N 3.28Å; G158-G161 PolarHBondContact O-N 3.14Å; N159-G161 VanDerWaalsContact C-N 3.34Å; G161-T163 PolarHBondContact O-N 3.04Å; G161-Y164 PolarHBondContact O-N 2.97Å; G161-Y165 WeakPolarHBondContact O-CB 3.14Å; G161-Y165 PolarHBondContact O-N 2.95Å; G161-A173 WeakPolarHBondContact O-CB 3.13Å
162N90.6Very high92.3Very high52 Ų5228.4 Ų28.428%0.27814%0.141SC..Hα-helixtrans-59.6-36.9173.6-69.7-16.8000111.8G158 N159 Y165 L166 H177 N199G158-N162 PolarHBondContact O-N 3.36Å; N159-N162 PolarHBondContact O-N 3.06Å; N162-Y165 WeakPolarHBondContact O-CB 3.39Å; N162-Y165 PolarHBondContact O-N 3.3Å; N162-L166 VanDerWaalsContact O-CG 3.28Å; N162-L166 WeakPolarHBondContact O-CG 3.31Å; N162-L166 PolarHBondContact O-N 2.91Å; N162-H177 PolarHBondContact N-CE1 2.71Å; N162-H177 PolarHBondContact OD1-CE1 2.95Å; N162-N199 PolarHBondContact OD1-ND2 3.39Å
163T93.4Very high92.9Very high2 Ų227.5 Ų27.51%0.01214%0.136CC..Hα-helixtrans-69.9-41.8179.1-51.50000111.6C105 F130 A133 V134 Y137 N159 L160 G161 Y165 L166 L167C105-T163 PolarHBondContact SG-OG1 3.01Å; C105-T163 VanDerWaalsContact SG-OG1 3.32Å; F130-T163 HydrophobicContact CB-CG2 4.38Å; F130-T163 HydrophobicContact CD1-CG2 4.21Å; A133-T163 HydrophobicContact CB-CG2 4.01Å; V134-T163 HydrophobicContact CG2-CG2 3.65Å; Y137-T163 WeakPolarHBondContact CE2-OG1 3.33Å; N159-T163 PolarHBondContact O-N 3.47Å; N159-T163 PolarHBondContact O-OG1 3.32Å; L160-T163 WeakPolarHBondContact O-CB 3.49Å; L160-T163 PolarHBondContact O-N 2.9Å; L160-T163 VanDerWaalsContact O-N 3.1Å; G161-T163 PolarHBondContact O-N 3.04Å; T163-Y165 VanDerWaalsContact C-N 3.34Å; T163-L166 PolarHBondContact O-N 3.48Å; T163-L167 PolarHBondContact O-N 3.2Å
164Y96.7Very high93.2Very high36 Ų3628.6 Ų28.614%0.14114%0.142CC..Hα-helixtrans-66.2-36.5172.6-80.1-63.3000112.7V134 E138 L160 G161 L166 L167 G168 N169 A172 L176V134-Y164 HydrophobicContact CG1-CE1 3.96Å; V134-Y164 HydrophobicContact CG1-CE2 4.4Å; V134-Y164 WeakPolarHBondContact CG1-OH 3.42Å; V134-Y164 HydrophobicContact CG2-CD1 4.33Å; V134-Y164 HydrophobicContact CG2-CE1 4.13Å; E138-Y164 PolarHBondContact OE1-OH 2.98Å; L160-Y164 HydrophobicContact CD1-CD2 3.91Å; L160-Y164 HydrophobicContact CD1-CE2 3.54Å; L160-Y164 HydrophobicContact CD2-CE2 4.11Å; L160-Y164 HydrophobicContact CG-CD2 3.9Å; L160-Y164 HydrophobicContact CG-CE2 3.64Å; L160-Y164 WeakPolarHBondContact O-CD2 3.41Å; L160-Y164 PolarHBondContact O-N 3.47Å; G161-Y164 PolarHBondContact O-N 2.97Å; Y164-L166 VanDerWaalsContact C-N 3.33Å; Y164-L167 CarbonylContact O-C 3.49Å; Y164-L167 PolarHBondContact O-N 2.96Å; Y164-L167 VanDerWaalsContact O-N 3.14Å; Y164-G168 PolarHBondContact O-N 3.35Å; Y164-N169 HydrophobicContact CD1-CB 4Å; Y164-N169 PolarHBondContact O-N 3.5Å; Y164-A172 HydrophobicContact CD1-CB 3.95Å; Y164-A172 HydrophobicContact CD2-CB 3.95Å; Y164-A172 HydrophobicContact CE1-CB 4.3Å; Y164-A172 HydrophobicContact CE2-CB 4.26Å; Y164-A172 HydrophobicContact CG-CB 3.75Å; Y164-L176 HydrophobicContact CD2-CD1 3.36Å; Y164-L176 HydrophobicContact CE2-CD1 3.58Å
165Y92.1Very high93.7Very high26 Ų2634.3 Ų34.310%0.10217%0.168CC..Hα-helixtrans-56.4-49.9171.2174.1-91.6000110.1I119 G161 N162 T163 L167 G168 F170 N202 A203 F206I119-Y165 HydrophobicContact CD1-CD1 3.66Å; I119-Y165 HydrophobicContact CD1-CE1 3.55Å; I119-Y165 HydrophobicContact CD1-CG 4.3Å; I119-Y165 WeakPolarHBondContact CD1-O 3.4Å; I119-Y165 WeakPolarHBondContact CG1-O 3.4Å; G161-Y165 WeakPolarHBondContact O-CB 3.14Å; G161-Y165 PolarHBondContact O-N 2.95Å; N162-Y165 WeakPolarHBondContact O-CB 3.39Å; N162-Y165 PolarHBondContact O-N 3.3Å; T163-Y165 VanDerWaalsContact C-N 3.34Å; Y165-L167 VanDerWaalsContact C-N 3.25Å; Y165-L167 PolarHBondContact O-N 3.27Å; Y165-G168 WeakPolarHBondContact O-CA 3.38Å; Y165-G168 PolarHBondContact O-N 3.43Å; Y165-F170 AromaticContact CD2-CD1 3.8Å; Y165-F170 HydrophobicContact CD2-CD1 3.8Å; Y165-F170 AromaticContact CD2-CE1 3.88Å; Y165-F170 HydrophobicContact CD2-CE1 3.88Å; Y165-F170 HydrophobicContact CE2-CD1 4.21Å; Y165-F170 HydrophobicContact CE2-CE1 4.02Å; Y165-N202 HydrophobicContact CE2-CB 3.88Å; Y165-A203 HydrophobicContact CD2-CB 4.29Å; Y165-F206 AromaticContact CE2-CD2 3.79Å; Y165-F206 HydrophobicContact CE2-CD2 3.79Å; Y165-F206 HydrophobicContact CE2-CE2 4.02Å; Y165-F206 AromaticContact CZ-CE2 3.85Å; Y165-F206 WeakPolarHBondContact OH-CE2 3.16Å
166L90.6Very high94.2Very high10 Ų1033.8 Ų33.85%0.05217%0.167CC..Hα-helixtrans-61.2-28.4175.5-67.5168.5000113.6I119 Y122 F130 N162 T163 Y164 G168I119-L166 HydrophobicContact CD1-CD2 4.38Å; I119-L166 WeakPolarHBondContact CG1-O 3.41Å; Y122-L166 WeakPolarHBondContact CD2-O 3.49Å; Y122-L166 HydrophobicContact CE2-CB 4.4Å; Y122-L166 WeakPolarHBondContact CE2-O 3.48Å; Y122-L166 WeakPolarHBondContact OH-CD2 3.23Å; F130-L166 HydrophobicContact CD1-CB 4.34Å; F130-L166 HydrophobicContact CD1-CD1 4.39Å; F130-L166 HydrophobicContact CE1-CB 4.05Å; F130-L166 HydrophobicContact CE1-CD1 3.58Å; F130-L166 HydrophobicContact CE1-CG 4.4Å; F130-L166 HydrophobicContact CE2-CB 4.22Å; F130-L166 HydrophobicContact CZ-CB 3.98Å; F130-L166 HydrophobicContact CZ-CD1 3.85Å; F130-L166 HydrophobicContact CZ-CG 4.35Å; N162-L166 VanDerWaalsContact O-CG 3.28Å; N162-L166 WeakPolarHBondContact O-CG 3.31Å; N162-L166 PolarHBondContact O-N 2.91Å; T163-L166 PolarHBondContact O-N 3.48Å; Y164-L166 VanDerWaalsContact C-N 3.33Å; L166-G168 PolarHBondContact O-N 3.21Å
167L92.1Very high94.5Very high48 Ų4833.9 Ų33.925%0.25117%0.167SC..THydrogen-bonded Turntrans-80.5-0.8172.2-75.1167.2000114F130 Q131 V134 T163 Y164 Y165 N169F130-L167 HydrophobicContact CB-CD1 4.14Å; F130-L167 HydrophobicContact CB-CD2 3.57Å; F130-L167 HydrophobicContact CB-CG 3.73Å; Q131-L167 HydrophobicContact CG-CD2 4.23Å; V134-L167 HydrophobicContact CG2-CD1 3.58Å; T163-L167 PolarHBondContact O-N 3.2Å; Y164-L167 CarbonylContact O-C 3.49Å; Y164-L167 PolarHBondContact O-N 2.96Å; Y164-L167 VanDerWaalsContact O-N 3.14Å; Y165-L167 VanDerWaalsContact C-N 3.25Å; Y165-L167 PolarHBondContact O-N 3.27Å; L167-N169 PolarHBondContact O-N 2.95Å
168G90.3Very high94.7Very high27 Ų2736.2 Ų36.228%0.27818%0.184SC..THydrogen-bonded Turntrans73.48.8-173.900000114.1Y164 Y165 L166 F170Y164-G168 PolarHBondContact O-N 3.35Å; Y165-G168 WeakPolarHBondContact O-CA 3.38Å; Y165-G168 PolarHBondContact O-N 3.43Å; L166-G168 PolarHBondContact O-N 3.21Å; G168-F170 VanDerWaalsContact C-N 3.32Å; G168-F170 VanDerWaalsContact O-CD2 3.25Å; G168-F170 WeakPolarHBondContact O-CD2 3.39Å; G168-F170 WeakPolarHBondContact O-CE2 3.36Å; G168-F170 PolarHBondContact O-N 3.1Å; G168-F170 VanDerWaalsContact O-N 3.15Å
169N94.3Very high95.1Very high71 Ų7139.1 Ų39.138%0.3820%0.196SC..  trans-88.372.6175.1-170.7-9.7000110.4Y164 L167 R171 A172 A173Y164-N169 HydrophobicContact CD1-CB 4Å; Y164-N169 PolarHBondContact O-N 3.5Å; L167-N169 PolarHBondContact O-N 2.95Å; N169-R171 VanDerWaalsContact C-N 3.28Å; N169-R171 PolarHBondContact O-N 3.14Å; N169-A172 HydrophobicContact CB-CB 4.44Å; N169-A172 PolarHBondContact O-N 3.23Å; N169-A172 WeakPolarHBondContact OD1-CB 3.4Å; N169-A172 PolarHBondContact OD1-N 3.09Å; N169-A173 PolarHBondContact O-N 3.36Å; N169-A173 VanDerWaalsContact O-N 3.09Å
170F94.1Very high95.3Very high22 Ų2238.2 Ų38.210%0.09619%0.19CC..Hα-helixtrans-66.4-27.4-174-52.3-63.4000113.8I119 Y165 G168 A173 I174 A203 F206 L207I119-F170 HydrophobicContact CD1-CE1 4.34Å; I119-F170 HydrophobicContact CG2-CZ 4.25Å; Y165-F170 AromaticContact CD2-CD1 3.8Å; Y165-F170 HydrophobicContact CD2-CD1 3.8Å; Y165-F170 AromaticContact CD2-CE1 3.88Å; Y165-F170 HydrophobicContact CD2-CE1 3.88Å; Y165-F170 HydrophobicContact CE2-CD1 4.21Å; Y165-F170 HydrophobicContact CE2-CE1 4.02Å; G168-F170 VanDerWaalsContact C-N 3.32Å; G168-F170 VanDerWaalsContact O-CD2 3.25Å; G168-F170 WeakPolarHBondContact O-CD2 3.39Å; G168-F170 WeakPolarHBondContact O-CE2 3.36Å; G168-F170 PolarHBondContact O-N 3.1Å; G168-F170 VanDerWaalsContact O-N 3.15Å; F170-A173 PolarHBondContact O-N 3.44Å; F170-I174 WeakPolarHBondContact O-CG1 3.25Å; F170-I174 PolarHBondContact O-N 3.26Å; F170-A203 HydrophobicContact CB-CB 4.41Å; F170-F206 HydrophobicContact CD1-CB 3.69Å; F170-F206 HydrophobicContact CD1-CG 4.17Å; F170-F206 HydrophobicContact CD2-CB 3.68Å; F170-F206 HydrophobicContact CE1-CB 3.57Å; F170-F206 HydrophobicContact CE1-CD1 4.01Å; F170-F206 AromaticContact CE1-CD2 3.94Å; F170-F206 HydrophobicContact CE1-CD2 3.94Å; F170-F206 AromaticContact CE1-CG 3.57Å; F170-F206 HydrophobicContact CE1-CG 3.57Å; F170-F206 HydrophobicContact CE2-CB 3.57Å; F170-F206 AromaticContact CE2-CD1 3.97Å; F170-F206 HydrophobicContact CE2-CD1 3.97Å; F170-F206 HydrophobicContact CE2-CG 4.01Å; F170-F206 HydrophobicContact CG-CB 3.74Å; F170-F206 HydrophobicContact CZ-CB 3.51Å; F170-F206 AromaticContact CZ-CD1 3.45Å; F170-F206 HydrophobicContact CZ-CD1 3.45Å; F170-F206 VanDerWaalsContact CZ-CD1 3.45Å; F170-F206 HydrophobicContact CZ-CD2 4.24Å; F170-F206 HydrophobicContact CZ-CE1 4.2Å; F170-F206 AromaticContact CZ-CG 3.47Å; F170-F206 HydrophobicContact CZ-CG 3.47Å; F170-F206 VanDerWaalsContact CZ-CG 3.47Å; F170-L207 HydrophobicContact CB-CD1 4.18Å; F170-L207 HydrophobicContact CB-CD2 3.85Å; F170-L207 HydrophobicContact CB-CG 3.71Å; F170-L207 HydrophobicContact CD2-CD2 4.4Å
171R97.7Very high95.2Very high182 Ų18239.1 Ų39.169%0.68719%0.194SC*.Hα-helixtrans-66.4-49.1176.2-67.4-173179.6-150.7-0.3111.4N169 A173 I174 E175 L207N169-R171 VanDerWaalsContact C-N 3.28Å; N169-R171 PolarHBondContact O-N 3.14Å; R171-A173 VanDerWaalsContact C-N 3.29Å; R171-A173 PolarHBondContact O-N 3.12Å; R171-I174 PolarHBondContact O-N 3.26Å; R171-E175 PolarHBondContact O-N 3.37Å; R171-E175 VanDerWaalsContact O-N 3.09Å; R171-L207 HydrophobicContact CG-CD1 4.18Å; R171-L207 HydrophobicContact CG-CD2 4.14Å
172A97.7Very high95.3Very high16 Ų1642.5 Ų42.513%0.13222%0.218CC..Hα-helixtrans-62.8-38.1175.200000111.7Y164 N169 I174 E175 L176Y164-A172 HydrophobicContact CD1-CB 3.95Å; Y164-A172 HydrophobicContact CD2-CB 3.95Å; Y164-A172 HydrophobicContact CE1-CB 4.3Å; Y164-A172 HydrophobicContact CE2-CB 4.26Å; Y164-A172 HydrophobicContact CG-CB 3.75Å; N169-A172 HydrophobicContact CB-CB 4.44Å; N169-A172 PolarHBondContact O-N 3.23Å; N169-A172 WeakPolarHBondContact OD1-CB 3.4Å; N169-A172 PolarHBondContact OD1-N 3.09Å; A172-I174 PolarHBondContact O-N 3.43Å; A172-E175 PolarHBondContact O-N 3.32Å; A172-L176 WeakPolarHBondContact O-CD1 3.37Å; A172-L176 WeakPolarHBondContact O-CG 3.46Å; A172-L176 PolarHBondContact O-N 3.09Å; A172-L176 VanDerWaalsContact O-N 3.14Å
173A96Very high95.3Very high0 Ų040.2 Ų40.20%021%0.206CC..Hα-helixtrans-59.1-45.8174.400000111.9G161 N169 F170 R171 L176 H177 A203G161-A173 WeakPolarHBondContact O-CB 3.13Å; N169-A173 PolarHBondContact O-N 3.36Å; N169-A173 VanDerWaalsContact O-N 3.09Å; F170-A173 PolarHBondContact O-N 3.44Å; R171-A173 VanDerWaalsContact C-N 3.29Å; R171-A173 PolarHBondContact O-N 3.12Å; A173-L176 PolarHBondContact O-N 2.95Å; A173-H177 WeakPolarHBondContact O-CB 3.32Å; A173-H177 PolarHBondContact O-CD2 2.9Å; A173-H177 VanDerWaalsContact O-CG 3.26Å; A173-H177 PolarHBondContact O-N 3.47Å; A173-A203 HydrophobicContact CB-CB 4.43Å
174I98Very high95.2Very high36 Ų3640.3 Ų40.319%0.18521%0.207CC..Hα-helixtrans-60.2-48.8176.6-73.9174.8000111.2F170 R171 A172 L176 H177 S178 L200 A203 L207F170-I174 WeakPolarHBondContact O-CG1 3.25Å; F170-I174 PolarHBondContact O-N 3.26Å; R171-I174 PolarHBondContact O-N 3.26Å; A172-I174 PolarHBondContact O-N 3.43Å; I174-L176 VanDerWaalsContact C-N 3.26Å; I174-L176 PolarHBondContact O-N 2.73Å; I174-H177 PolarHBondContact O-N 3.32Å; I174-S178 WeakPolarHBondContact O-CB 3.43Å; I174-S178 PolarHBondContact O-N 3.1Å; I174-S178 PolarHBondContact O-OG 3.43Å; I174-S178 VanDerWaalsContact O-OG 3.04Å; I174-L200 HydrophobicContact CB-CD2 4.27Å; I174-L200 HydrophobicContact CG1-CD2 4.28Å; I174-L200 HydrophobicContact CG2-CD2 3.95Å; I174-A203 HydrophobicContact CD1-CB 4.23Å; I174-A203 HydrophobicContact CG1-CB 3.67Å; I174-L207 HydrophobicContact CD1-CD1 3.45Å; I174-L207 VanDerWaalsContact CD1-CD1 3.45Å
175E98.4Very high95.1Very high124 Ų12442.5 Ų42.558%0.57922%0.224SC*.Hα-helixtrans-55.9-41.5-179.9-71.2173.5-168.200112.3R171 A172 Q179R171-E175 PolarHBondContact O-N 3.37Å; R171-E175 VanDerWaalsContact O-N 3.09Å; A172-E175 PolarHBondContact O-N 3.32Å; E175-Q179 WeakPolarHBondContact O-CG 3.48Å; E175-Q179 PolarHBondContact O-N 3.28Å; E175-Q179 PolarHBondContact O-NE2 3.24Å
176L98.1Very high95.2Very high13 Ų1346.9 Ų46.97%0.06825%0.245CC..Hα-helixtrans-77.1-37.6-179.8-71.8162.7000113L141 C157 L160 Y164 A172 A173 I174 S178 Q179 R180L141-L176 HydrophobicContact CD2-CD2 4.46Å; C157-L176 HydrophobicContact CB-CD2 4.31Å; L160-L176 HydrophobicContact CB-CD1 4.11Å; L160-L176 HydrophobicContact CD2-CD1 3.88Å; L160-L176 HydrophobicContact CD2-CD2 4.05Å; L160-L176 HydrophobicContact CG-CD1 3.58Å; Y164-L176 HydrophobicContact CD2-CD1 3.36Å; Y164-L176 HydrophobicContact CE2-CD1 3.58Å; A172-L176 WeakPolarHBondContact O-CD1 3.37Å; A172-L176 WeakPolarHBondContact O-CG 3.46Å; A172-L176 PolarHBondContact O-N 3.09Å; A172-L176 VanDerWaalsContact O-N 3.14Å; A173-L176 PolarHBondContact O-N 2.95Å; I174-L176 VanDerWaalsContact C-N 3.26Å; I174-L176 PolarHBondContact O-N 2.73Å; L176-S178 VanDerWaalsContact C-N 3.34Å; L176-Q179 WeakPolarHBondContact O-CB 3.41Å; L176-Q179 PolarHBondContact O-N 3.24Å; L176-R180 PolarHBondContact O-N 2.98Å
177H97.1Very high95.1Very high2 Ų251.9 Ų51.91%0.00926%0.264CS..Hα-helixtrans-69.7-32.1174.2-67-44.5000112.1G158 N162 A173 I174 R180 L181 L200G158-H177 PolarHBondContact O-CE1 3.33Å; N162-H177 PolarHBondContact N-CE1 2.71Å; N162-H177 PolarHBondContact OD1-CE1 2.95Å; A173-H177 WeakPolarHBondContact O-CB 3.32Å; A173-H177 PolarHBondContact O-CD2 2.9Å; A173-H177 VanDerWaalsContact O-CG 3.26Å; A173-H177 PolarHBondContact O-N 3.47Å; I174-H177 PolarHBondContact O-N 3.32Å; H177-R180 PolarHBondContact O-N 3.05Å; H177-L181 WeakPolarHBondContact O-CB 3.26Å; H177-L181 PolarHBondContact O-N 2.96Å; H177-L200 HydrophobicContact CB-CD2 3.75Å; H177-L200 HydrophobicContact CB-CG 3.77Å
178S98.4Very high95Very high49 Ų4952 Ų5234%0.34328%0.276SS..Hα-helixtrans-64.5-39.4170-64.60000111.8I174 L176 L181 S182I174-S178 WeakPolarHBondContact O-CB 3.43Å; I174-S178 PolarHBondContact O-N 3.1Å; I174-S178 PolarHBondContact O-OG 3.43Å; I174-S178 VanDerWaalsContact O-OG 3.04Å; L176-S178 VanDerWaalsContact C-N 3.34Å; S178-L181 PolarHBondContact O-N 3.26Å; S178-S182 PolarHBondContact O-N 3.36Å
179Q97.4Very high94.9Very high64 Ų6453.1 Ų53.130%0.29928%0.276SS..Hα-helixtrans-63.9-47.7172.4-72.8169.460.500111.4C157 E175 L176 L181 S182 M183C157-Q179 HydrophobicContact CB-CB 4.49Å; E175-Q179 WeakPolarHBondContact O-CG 3.48Å; E175-Q179 PolarHBondContact O-N 3.28Å; E175-Q179 PolarHBondContact O-NE2 3.24Å; L176-Q179 WeakPolarHBondContact O-CB 3.41Å; L176-Q179 PolarHBondContact O-N 3.24Å; Q179-L181 VanDerWaalsContact C-N 3.27Å; Q179-L181 PolarHBondContact O-N 3.32Å; Q179-S182 PolarHBondContact O-N 2.93Å; Q179-M183 VanDerWaalsContact O-CG 3.28Å; Q179-M183 WeakPolarHBondContact O-CG 3.21Å; Q179-M183 PolarHBondContact O-N 3.24Å; Q179-M183 VanDerWaalsContact O-N 3.12Å
180R95.3Very high94.7Very high19 Ų1954 Ų547%0.07228%0.276CS..Hα-helixtrans-54.9-44.8174176.169.9-171.4-108.85.9111.2G154 L176 H177 M183 A184 A192 A196 D399G154-R180 WeakPolarHBondContact O-CD 3.46Å; L176-R180 PolarHBondContact O-N 2.98Å; H177-R180 PolarHBondContact O-N 3.05Å; R180-M183 PolarHBondContact O-N 3.32Å; R180-A184 WeakPolarHBondContact O-CB 3.15Å; R180-A184 PolarHBondContact O-N 3.44Å; R180-A192 VanDerWaalsContact NH2-CB 3.33Å; R180-A196 HydrophobicContact CG-CB 4.14Å; R180-D399 IonicContact CZ-OD2 3.57Å; R180-D399 IonicContact NH1-OD2 3.69Å; R180-D399 PolarHBondContact NH1-OD2 3.4Å; R180-D399 VanDerWaalsContact NH2-CG 3.34Å; R180-D399 IonicContact NH2-OD1 3.29Å; R180-D399 PolarHBondContact NH2-OD1 2.9Å; R180-D399 IonicContact NH2-OD2 3.2Å; R180-D399 PolarHBondContact NH2-OD2 3.44Å
181L96.3Very high94.5Very high22 Ų2255.6 Ų55.612%0.11528%0.283CS..Hα-helixtrans-62.1-47.6179.117862.3000111.4H177 S178 Q179 M183 A184 V185 M193 A196 Y197 L200H177-L181 WeakPolarHBondContact O-CB 3.26Å; H177-L181 PolarHBondContact O-N 2.96Å; S178-L181 PolarHBondContact O-N 3.26Å; Q179-L181 VanDerWaalsContact C-N 3.27Å; Q179-L181 PolarHBondContact O-N 3.32Å; L181-M183 PolarHBondContact O-N 2.97Å; L181-A184 PolarHBondContact O-N 3.38Å; L181-V185 HydrophobicContact CD1-CG2 4.22Å; L181-V185 WeakPolarHBondContact O-CG2 3.11Å; L181-V185 PolarHBondContact O-N 3.38Å; L181-M193 HydrophobicContact CD1-CB 4.17Å; L181-M193 HydrophobicContact CD1-CG 4.22Å; L181-A196 HydrophobicContact CB-CB 3.83Å; L181-A196 HydrophobicContact CD1-CB 4.23Å; L181-Y197 HydrophobicContact CD1-CD1 4.29Å; L181-Y197 HydrophobicContact CD1-CD2 4.14Å; L181-Y197 HydrophobicContact CD1-CE1 3.89Å; L181-Y197 HydrophobicContact CD1-CE2 3.7Å; L181-Y197 HydrophobicContact CD1-CG 4.42Å; L181-Y197 HydrophobicContact CD2-CD1 3.94Å; L181-Y197 HydrophobicContact CD2-CE1 3.35Å; L181-Y197 HydrophobicContact CG-CE1 4.27Å; L181-L200 HydrophobicContact CD2-CD1 3.88Å
182S96.8Very high94Very high71 Ų7147 Ų4750%0.49725%0.25SC..Hα-helixtrans-55.9-41.4178.4-176.40000111.8S178 Q179 E186S178-S182 PolarHBondContact O-N 3.36Å; Q179-S182 PolarHBondContact O-N 2.93Å; S182-E186 PolarHBondContact O-N 3Å; S182-E186 VanDerWaalsContact O-N 3.07Å
183M91Very high93.8Very high4 Ų447.4 Ų47.42%0.0225%0.25CC..Hα-helixtrans-74.2-40.9-179.9-60.3163.2104.600111.2R150 E153 G154 Q179 R180 L181 V185 E186 Y187R150-M183 HydrophobicContact CB-CE 4.44Å; R150-M183 HydrophobicContact CG-CE 3.66Å; R150-M183 WeakPolarHBondContact O-CE 3.46Å; E153-M183 HydrophobicContact CB-CE 3.63Å; E153-M183 VanDerWaalsContact CD-CE 3.48Å; E153-M183 HydrophobicContact CG-CE 3.5Å; E153-M183 HydrophobicContact CG-SD 4.37Å; E153-M183 WeakPolarHBondContact OE2-CE 3.38Å; G154-M183 WeakPolarHBondContact CA-SD 3.35Å; Q179-M183 VanDerWaalsContact O-CG 3.28Å; Q179-M183 WeakPolarHBondContact O-CG 3.21Å; Q179-M183 PolarHBondContact O-N 3.24Å; Q179-M183 VanDerWaalsContact O-N 3.12Å; R180-M183 PolarHBondContact O-N 3.32Å; L181-M183 PolarHBondContact O-N 2.97Å; M183-V185 VanDerWaalsContact C-N 3.26Å; M183-V185 PolarHBondContact O-N 2.73Å; M183-E186 WeakPolarHBondContact O-CB 3.24Å; M183-E186 PolarHBondContact O-N 3.41Å; M183-E186 VanDerWaalsContact O-N 3.17Å; M183-Y187 VanDerWaalsContact O-CD2 3.22Å; M183-Y187 WeakPolarHBondContact O-CD2 3.22Å; M183-Y187 PolarHBondContact O-N 3.01Å
184A91Very high93.7Very high5 Ų548.9 Ų48.94%0.04126%0.255CS..Hα-helixtrans-58.3-42.5174.700000111R180 L181 Y187 G188 D189 A192 M193R180-A184 WeakPolarHBondContact O-CB 3.15Å; R180-A184 PolarHBondContact O-N 3.44Å; L181-A184 PolarHBondContact O-N 3.38Å; A184-Y187 PolarHBondContact O-N 3.22Å; A184-G188 PolarHBondContact O-N 3.25Å; A184-D189 PolarHBondContact O-N 3.01Å; A184-A192 HydrophobicContact CB-CB 3.65Å; A184-M193 HydrophobicContact CB-CB 4.33Å; A184-M193 HydrophobicContact CB-CG 3.57Å; A184-M193 VanDerWaalsContact O-CE 3.26Å; A184-M193 WeakPolarHBondContact O-CE 3.13Å
185V94.9Very high93.3Very high81 Ų8149.2 Ų49.249%0.49125%0.254SS..Hα-helixtrans-60.9-47173.8172.90000111.7L181 M183 Y187 G188 M193L181-V185 HydrophobicContact CD1-CG2 4.22Å; L181-V185 WeakPolarHBondContact O-CG2 3.11Å; L181-V185 PolarHBondContact O-N 3.38Å; M183-V185 VanDerWaalsContact C-N 3.26Å; M183-V185 PolarHBondContact O-N 2.73Å; V185-Y187 VanDerWaalsContact C-N 3.27Å; V185-Y187 PolarHBondContact O-N 3.27Å; V185-G188 PolarHBondContact O-N 2.99Å; V185-M193 HydrophobicContact CG2-CE 4.48Å; V185-M193 HydrophobicContact CG2-CG 4.06Å; V185-M193 HydrophobicContact CG2-SD 3.81Å
186E93.5Very high93.1Very high119 Ų11943.4 Ų43.456%0.55623%0.227SC*.Hα-helixtrans-55.8-41.2177.4-174.5-174.2163.100112.3R150 S182 M183R150-E186 IonicContact NE-OE2 2.56Å; S182-E186 PolarHBondContact O-N 3Å; S182-E186 VanDerWaalsContact O-N 3.07Å; M183-E186 WeakPolarHBondContact O-CB 3.24Å; M183-E186 PolarHBondContact O-N 3.41Å; M183-E186 VanDerWaalsContact O-N 3.17Å
187Y89.2Confident93.1Very high115 Ų11544.3 Ų44.345%0.45123%0.23SC..Hα-helixtrans-88.7-5.8-179.7-74.3-70000114.8R150 L151 M183 A184 V185 D189R150-Y187 HydrophobicContact CB-CE2 4.34Å; R150-Y187 WeakPolarHBondContact CB-OH 3.36Å; R150-Y187 HydrophobicContact CG-CE2 3.96Å; L151-Y187 HydrophobicContact CG-CE2 4.38Å; M183-Y187 VanDerWaalsContact O-CD2 3.22Å; M183-Y187 WeakPolarHBondContact O-CD2 3.22Å; M183-Y187 PolarHBondContact O-N 3.01Å; A184-Y187 PolarHBondContact O-N 3.22Å; V185-Y187 VanDerWaalsContact C-N 3.27Å; V185-Y187 PolarHBondContact O-N 3.27Å; Y187-D189 PolarHBondContact O-N 3.43Å
188G90Very high92.9Very high49 Ų4945.3 Ų45.351%0.50524%0.236SC..THydrogen-bonded Turntrans6719.1-173.100000114.2A184 V185 K190 M193A184-G188 PolarHBondContact O-N 3.25Å; V185-G188 PolarHBondContact O-N 2.99Å; G188-K190 PolarHBondContact O-N 3.41Å; G188-M193 VanDerWaalsContact C-CE 3.48Å
189D88Confident92.6Very high51 Ų5144.6 Ų44.627%0.27323%0.229SC..  trans-77.790.9-179.9-178.6-12.7000110.6A184 Y187 Y191 A192 M193A184-D189 PolarHBondContact O-N 3.01Å; Y187-D189 PolarHBondContact O-N 3.43Å; D189-Y191 VanDerWaalsContact C-N 3.31Å; D189-Y191 PolarHBondContact O-N 3.22Å; D189-Y191 PolarHBondContact OD1-N 3.14Å; D189-Y191 VanDerWaalsContact OD1-N 3.14Å; D189-A192 HydrophobicContact CB-CB 4Å; D189-A192 PolarHBondContact O-N 2.99Å; D189-A192 WeakPolarHBondContact OD1-CB 3.1Å; D189-A192 PolarHBondContact OD1-N 3.47Å; D189-A192 WeakPolarHBondContact OD2-CB 3.34Å; D189-M193 VanDerWaalsContact O-CG 3.29Å; D189-M193 WeakPolarHBondContact O-CG 3.45Å; D189-M193 PolarHBondContact O-N 2.63Å
190K90.9Very high92.5Very high89 Ų8941.6 Ų41.639%0.38722%0.215SC..Hα-helixtrans-60.8-36.1-179.3-68.3-168.4179.9-164.30113.3G188 M193 R194 L223 E226 L227G188-K190 PolarHBondContact O-N 3.41Å; K190-M193 PolarHBondContact O-N 3.18Å; K190-R194 WeakPolarHBondContact O-CB 3.44Å; K190-R194 PolarHBondContact O-N 2.86Å; K190-L223 HydrophobicContact CB-CD2 4.23Å; K190-L223 HydrophobicContact CD-CD2 4.4Å; K190-L223 HydrophobicContact CG-CD2 4.25Å; K190-E226 IonicContact NZ-OE2 3.9Å; K190-E226 PolarHBondContact NZ-OE2 3.44Å; K190-L227 HydrophobicContact CB-CD1 4.28Å; K190-L227 HydrophobicContact CB-CD2 3.91Å; K190-L227 HydrophobicContact CB-CG 4.36Å; K190-L227 HydrophobicContact CD-CD2 4.41Å
191Y88.2Confident92.5Very high57 Ų5740.7 Ų40.722%0.22421%0.211CC..Hα-helixtrans-66.1-44.2179.1-74.7-77.7000111D189 R194 R195 L227D189-Y191 VanDerWaalsContact C-N 3.31Å; D189-Y191 PolarHBondContact O-N 3.22Å; D189-Y191 PolarHBondContact OD1-N 3.14Å; D189-Y191 VanDerWaalsContact OD1-N 3.14Å; Y191-R194 PolarHBondContact O-N 3.34Å; Y191-R195 PolarHBondContact O-N 3.2Å; Y191-L227 HydrophobicContact CD1-CD1 3.66Å; Y191-L227 HydrophobicContact CD1-CD2 4.34Å; Y191-L227 HydrophobicContact CD1-CG 4.49Å; Y191-L227 HydrophobicContact CD2-CD2 4.1Å; Y191-L227 HydrophobicContact CE1-CB 4.24Å; Y191-L227 HydrophobicContact CE1-CD1 3.86Å; Y191-L227 HydrophobicContact CE1-CD2 4.01Å; Y191-L227 HydrophobicContact CE1-CG 4.26Å; Y191-L227 HydrophobicContact CE2-CD2 3.77Å; Y191-L227 HydrophobicContact CG-CD1 4.06Å; Y191-L227 HydrophobicContact CG-CD2 4.37Å
192A87.4Confident92.2Very high0 Ų040.3 Ų40.30%021%0.209CC..Hα-helixtrans-68.1-39.4176.100000112.6R180 A184 D189 R194 R195 A196R180-A192 VanDerWaalsContact NH2-CB 3.33Å; A184-A192 HydrophobicContact CB-CB 3.65Å; D189-A192 HydrophobicContact CB-CB 4Å; D189-A192 PolarHBondContact O-N 2.99Å; D189-A192 WeakPolarHBondContact OD1-CB 3.1Å; D189-A192 PolarHBondContact OD1-N 3.47Å; D189-A192 WeakPolarHBondContact OD2-CB 3.34Å; A192-R194 VanDerWaalsContact C-N 3.32Å; A192-R194 PolarHBondContact O-N 3.09Å; A192-R195 PolarHBondContact O-N 3.01Å; A192-A196 WeakPolarHBondContact O-CB 3.46Å; A192-A196 PolarHBondContact O-N 3.38Å
193M94.5Very high92Very high26 Ų2637 Ų3713%0.12819%0.186CC..Hα-helixtrans-57.7-48173.8-72.1-177.4-132.900110.5L181 A184 V185 G188 D189 K190 A196 Y197 L223L181-M193 HydrophobicContact CD1-CB 4.17Å; L181-M193 HydrophobicContact CD1-CG 4.22Å; A184-M193 HydrophobicContact CB-CB 4.33Å; A184-M193 HydrophobicContact CB-CG 3.57Å; A184-M193 VanDerWaalsContact O-CE 3.26Å; A184-M193 WeakPolarHBondContact O-CE 3.13Å; V185-M193 HydrophobicContact CG2-CE 4.48Å; V185-M193 HydrophobicContact CG2-CG 4.06Å; V185-M193 HydrophobicContact CG2-SD 3.81Å; G188-M193 VanDerWaalsContact C-CE 3.48Å; D189-M193 VanDerWaalsContact O-CG 3.29Å; D189-M193 WeakPolarHBondContact O-CG 3.45Å; D189-M193 PolarHBondContact O-N 2.63Å; K190-M193 PolarHBondContact O-N 3.18Å; M193-A196 PolarHBondContact O-N 2.67Å; M193-Y197 HydrophobicContact CB-CE2 4.38Å; M193-Y197 WeakPolarHBondContact O-CD2 3.42Å; M193-Y197 PolarHBondContact O-N 2.96Å; M193-L223 HydrophobicContact CB-CD1 3.72Å
194R94.3Very high92.2Very high30 Ų3037 Ų3711%0.11319%0.186CC..Hα-helixtrans-59.7-49.8179179.9-133.135.2154.4-12.3111.6K190 Y191 A192 A196 Y197 T198 A220 L223K190-R194 WeakPolarHBondContact O-CB 3.44Å; K190-R194 PolarHBondContact O-N 2.86Å; Y191-R194 PolarHBondContact O-N 3.34Å; A192-R194 VanDerWaalsContact C-N 3.32Å; A192-R194 PolarHBondContact O-N 3.09Å; R194-A196 VanDerWaalsContact C-N 3.31Å; R194-A196 PolarHBondContact O-N 3.49Å; R194-Y197 PolarHBondContact O-N 3.31Å; R194-T198 PolarHBondContact O-N 2.88Å; R194-T198 PolarHBondContact O-OG1 2.96Å; R194-A220 HydrophobicContact CG-CB 4.39Å; R194-L223 HydrophobicContact CB-CB 3.82Å; R194-L223 HydrophobicContact CB-CD1 3.92Å; R194-L223 HydrophobicContact CG-CB 4.15Å
195R89.6Confident92.1Very high43 Ų4337 Ų3716%0.16219%0.186CC..Hα-helixtrans-58.1-44.4176.6-74.6-167.9-66.8-86.9-17.5111.7Y191 A192 Y197 T198 N199 D397 D399Y191-R195 PolarHBondContact O-N 3.2Å; A192-R195 PolarHBondContact O-N 3.01Å; R195-Y197 VanDerWaalsContact C-N 3.35Å; R195-Y197 PolarHBondContact O-N 3.44Å; R195-T198 PolarHBondContact O-N 2.72Å; R195-N199 WeakPolarHBondContact O-CB 3.29Å; R195-N199 VanDerWaalsContact O-CG 3.27Å; R195-N199 PolarHBondContact O-N 2.99Å; R195-D397 IonicContact NH1-OD1 3.62Å; R195-D399 IonicContact CZ-OD1 3.68Å; R195-D399 IonicContact CZ-OD2 3.71Å; R195-D399 IonicContact NE-OD2 2.76Å; R195-D399 PolarHBondContact NE-OD2 2.93Å; R195-D399 IonicContact NH1-OD2 3.97Å; R195-D399 IonicContact NH2-OD1 3.24Å; R195-D399 PolarHBondContact NH2-OD1 2.65Å; R195-D399 IonicContact NH2-OD2 2.76Å; R195-D399 PolarHBondContact NH2-OD2 3.09Å
196A93.4Very high91.8Very high2 Ų234.5 Ų34.52%0.01717%0.169CC..Hα-helixtrans-62.4-41.917900000111.7R180 L181 A192 M193 R194 N199 L200R180-A196 HydrophobicContact CG-CB 4.14Å; L181-A196 HydrophobicContact CB-CB 3.83Å; L181-A196 HydrophobicContact CD1-CB 4.23Å; A192-A196 WeakPolarHBondContact O-CB 3.46Å; A192-A196 PolarHBondContact O-N 3.38Å; M193-A196 PolarHBondContact O-N 2.67Å; R194-A196 VanDerWaalsContact C-N 3.31Å; R194-A196 PolarHBondContact O-N 3.49Å; A196-N199 PolarHBondContact O-N 3.49Å; A196-L200 WeakPolarHBondContact O-CB 3.36Å; A196-L200 WeakPolarHBondContact O-CG 3.21Å; A196-L200 PolarHBondContact O-N 3.09Å
197Y97.2Very high91.7Very high32 Ų3232.7 Ų32.713%0.12516%0.162CC..Hα-helixtrans-62.8-46.3174.2-75.2-51.6000112.8L181 M193 R194 R195 N199 L200 G201 Y216 K219 L223L181-Y197 HydrophobicContact CD1-CD1 4.29Å; L181-Y197 HydrophobicContact CD1-CD2 4.14Å; L181-Y197 HydrophobicContact CD1-CE1 3.89Å; L181-Y197 HydrophobicContact CD1-CE2 3.7Å; L181-Y197 HydrophobicContact CD1-CG 4.42Å; L181-Y197 HydrophobicContact CD2-CD1 3.94Å; L181-Y197 HydrophobicContact CD2-CE1 3.35Å; L181-Y197 HydrophobicContact CG-CE1 4.27Å; M193-Y197 HydrophobicContact CB-CE2 4.38Å; M193-Y197 WeakPolarHBondContact O-CD2 3.42Å; M193-Y197 PolarHBondContact O-N 2.96Å; R194-Y197 PolarHBondContact O-N 3.31Å; R195-Y197 VanDerWaalsContact C-N 3.35Å; R195-Y197 PolarHBondContact O-N 3.44Å; Y197-N199 VanDerWaalsContact C-N 3.31Å; Y197-N199 PolarHBondContact O-N 3.43Å; Y197-L200 PolarHBondContact O-N 3.02Å; Y197-G201 PolarHBondContact O-N 3.26Å; Y197-Y216 AromaticContact CD1-CD1 3.67Å; Y197-Y216 HydrophobicContact CD1-CD1 3.67Å; Y197-Y216 HydrophobicContact CD1-CE1 4.38Å; Y197-Y216 HydrophobicContact CE1-CD1 4.11Å; Y197-Y216 WeakPolarHBondContact O-CB 3.39Å; Y197-K219 HydrophobicContact CD1-CB 4.14Å; Y197-K219 HydrophobicContact CD1-CD 4.03Å; Y197-K219 HydrophobicContact CD2-CB 3.8Å; Y197-K219 HydrophobicContact CE1-CB 4.2Å; Y197-K219 HydrophobicContact CE1-CD 3.4Å; Y197-K219 HydrophobicContact CE1-CG 4.45Å; Y197-K219 HydrophobicContact CE2-CB 3.89Å; Y197-K219 HydrophobicContact CE2-CD 4.11Å; Y197-K219 HydrophobicContact CG-CB 3.94Å; Y197-K219 VanDerWaalsContact CZ-CD 3.45Å; Y197-L223 HydrophobicContact CD2-CD1 3.72Å; Y197-L223 HydrophobicContact CE2-CD1 3.9Å
198T92.7Very high91.7Very high23 Ų2329.9 Ų29.914%0.14117%0.169CC..Hα-helixtrans-57.9-45.2175.7-59.50000111.4R194 R195 G201 N202 Y217R194-T198 PolarHBondContact O-N 2.88Å; R194-T198 PolarHBondContact O-OG1 2.96Å; R195-T198 PolarHBondContact O-N 2.72Å; T198-G201 PolarHBondContact O-N 2.69Å; T198-N202 VanDerWaalsContact O-CG 3.24Å; T198-N202 PolarHBondContact O-N 3.46Å; T198-N202 PolarHBondContact O-OD1 3.4Å; T198-Y217 HydrophobicContact CG2-CE1 4.36Å
199N92.3Very high92Very high35 Ų3530.9 Ų30.919%0.18716%0.162CC..Hα-helixtrans-69.3-37.5-179.3-68.4-10.3000112.9N162 R195 A196 Y197 G201 N202 A203N162-N199 PolarHBondContact OD1-ND2 3.39Å; R195-N199 WeakPolarHBondContact O-CB 3.29Å; R195-N199 VanDerWaalsContact O-CG 3.27Å; R195-N199 PolarHBondContact O-N 2.99Å; A196-N199 PolarHBondContact O-N 3.49Å; Y197-N199 VanDerWaalsContact C-N 3.31Å; Y197-N199 PolarHBondContact O-N 3.43Å; N199-G201 VanDerWaalsContact C-N 3.32Å; N199-N202 PolarHBondContact O-N 3.23Å; N199-A203 WeakPolarHBondContact O-CB 3.19Å; N199-A203 PolarHBondContact O-N 3.28Å
200L96.8Very high92.2Very high1 Ų129.2 Ų29.21%0.00515%0.154CC..Hα-helixtrans-61.4-42.1170.8-75.6166.8000111.1I174 H177 L181 A196 Y197 S204 Y216I174-L200 HydrophobicContact CB-CD2 4.27Å; I174-L200 HydrophobicContact CG1-CD2 4.28Å; I174-L200 HydrophobicContact CG2-CD2 3.95Å; H177-L200 HydrophobicContact CB-CD2 3.75Å; H177-L200 HydrophobicContact CB-CG 3.77Å; L181-L200 HydrophobicContact CD2-CD1 3.88Å; A196-L200 WeakPolarHBondContact O-CB 3.36Å; A196-L200 WeakPolarHBondContact O-CG 3.21Å; A196-L200 PolarHBondContact O-N 3.09Å; Y197-L200 PolarHBondContact O-N 3.02Å; L200-S204 VanDerWaalsContact O-CB 3.29Å; L200-S204 WeakPolarHBondContact O-CB 3.28Å; L200-S204 PolarHBondContact O-N 3.25Å; L200-S204 PolarHBondContact O-OG 3.26Å; L200-Y216 HydrophobicContact CB-CD1 4.2Å; L200-Y216 HydrophobicContact CB-CD2 3.71Å; L200-Y216 HydrophobicContact CB-CE1 4.31Å; L200-Y216 HydrophobicContact CB-CE2 3.87Å; L200-Y216 HydrophobicContact CB-CG 3.89Å; L200-Y216 HydrophobicContact CD1-CD1 4.28Å; L200-Y216 HydrophobicContact CD1-CE1 3.96Å
201G94.2Very high92.4Very high0 Ų029.3 Ų29.30%016%0.162CC..Hα-helixtrans-58.4-52.6173.900000111.8Y197 T198 N199 A203 S204 V205 A213 Y217Y197-G201 PolarHBondContact O-N 3.26Å; T198-G201 PolarHBondContact O-N 2.69Å; N199-G201 VanDerWaalsContact C-N 3.32Å; G201-A203 PolarHBondContact O-N 3.33Å; G201-S204 PolarHBondContact O-N 2.97Å; G201-S204 VanDerWaalsContact O-N 3.15Å; G201-V205 WeakPolarHBondContact O-CG2 3.46Å; G201-V205 PolarHBondContact O-N 3.46Å; G201-A213 WeakPolarHBondContact O-CB 3.15Å; G201-Y217 VanDerWaalsContact C-OH 3.3Å
202N90.2Very high92.7Very high14 Ų1428.4 Ų28.48%0.07516%0.164CC..Hα-helixtrans-56.4-51.1179.4-66.5-9000111.2Y165 T198 N199 S204 V205 F206 Y217 F561Y165-N202 HydrophobicContact CE2-CB 3.88Å; T198-N202 VanDerWaalsContact O-CG 3.24Å; T198-N202 PolarHBondContact O-N 3.46Å; T198-N202 PolarHBondContact O-OD1 3.4Å; N199-N202 PolarHBondContact O-N 3.23Å; N202-S204 VanDerWaalsContact C-N 3.31Å; N202-S204 PolarHBondContact O-N 2.75Å; N202-V205 PolarHBondContact O-N 2.9Å; N202-F206 WeakPolarHBondContact O-CD2 3.44Å; N202-F206 PolarHBondContact O-N 2.88Å; N202-Y217 WeakPolarHBondContact CA-OH 3.38Å; N202-Y217 PolarHBondContact N-OH 2.92Å; N202-Y217 VanDerWaalsContact N-OH 3.13Å; N202-Y217 WeakPolarHBondContact OD1-CE1 3.36Å; N202-Y217 PolarHBondContact OD1-OH 3.18Å; N202-F561 HydrophobicContact CB-CD2 4.5Å
203A92.6Very high93.1Very high0 Ų028.4 Ų28.40%016%0.164CC..Hα-helixtrans-63.7-35.5179.600000112.7Y165 F170 A173 I174 N199 G201 F206 L207Y165-A203 HydrophobicContact CD2-CB 4.29Å; F170-A203 HydrophobicContact CB-CB 4.41Å; A173-A203 HydrophobicContact CB-CB 4.43Å; I174-A203 HydrophobicContact CD1-CB 4.23Å; I174-A203 HydrophobicContact CG1-CB 3.67Å; N199-A203 WeakPolarHBondContact O-CB 3.19Å; N199-A203 PolarHBondContact O-N 3.28Å; G201-A203 PolarHBondContact O-N 3.33Å; A203-F206 PolarHBondContact O-N 3.06Å; A203-L207 PolarHBondContact O-N 2.89Å
204S94.9Very high93.1Very high4 Ų427.7 Ų27.73%0.02816%0.161CC..Hα-helixtrans-67.2-40.3178.2-58.20000112.1L200 G201 N202 F206 L207 G208 D209L200-S204 VanDerWaalsContact O-CB 3.29Å; L200-S204 WeakPolarHBondContact O-CB 3.28Å; L200-S204 PolarHBondContact O-N 3.25Å; L200-S204 PolarHBondContact O-OG 3.26Å; G201-S204 PolarHBondContact O-N 2.97Å; G201-S204 VanDerWaalsContact O-N 3.15Å; N202-S204 VanDerWaalsContact C-N 3.31Å; N202-S204 PolarHBondContact O-N 2.75Å; S204-F206 VanDerWaalsContact C-N 3.31Å; S204-F206 PolarHBondContact O-N 2.99Å; S204-L207 CarbonylContact O-C 3.52Å; S204-L207 PolarHBondContact O-N 3.03Å; S204-L207 VanDerWaalsContact O-N 3.12Å; S204-G208 PolarHBondContact O-N 3.42Å; S204-D209 WeakPolarHBondContact CB-O 3.32Å; S204-D209 PolarHBondContact O-N 3.41Å
205V90.3Very high93.1Very high7 Ų730.4 Ų30.44%0.04218%0.175CC..Hα-helixtrans-58.6-44.1174173.20000111.2G201 N202 L207 G208 A213 Y217 L246 F561G201-V205 WeakPolarHBondContact O-CG2 3.46Å; G201-V205 PolarHBondContact O-N 3.46Å; N202-V205 PolarHBondContact O-N 2.9Å; V205-L207 VanDerWaalsContact C-N 3.25Å; V205-L207 PolarHBondContact O-N 3.18Å; V205-G208 WeakPolarHBondContact O-CA 3.47Å; V205-G208 PolarHBondContact O-N 3.04Å; V205-A213 HydrophobicContact CG2-CB 3.47Å; V205-A213 VanDerWaalsContact CG2-CB 3.47Å; V205-Y217 HydrophobicContact CG2-CE2 4.23Å; V205-L246 HydrophobicContact CG1-CD1 3.65Å; V205-F561 HydrophobicContact CB-CE2 3.78Å; V205-F561 HydrophobicContact CB-CZ 4.47Å; V205-F561 HydrophobicContact CG1-CE2 3.73Å; V205-F561 HydrophobicContact CG1-CZ 4.35Å; V205-F561 HydrophobicContact CG2-CE2 3.89Å; V205-F561 HydrophobicContact CG2-CZ 4.12Å
206F87.8Confident93.5Very high28 Ų2831 Ų3112%0.12318%0.177CC..Hα-helixtrans-67.8-23.6178.7-86.5-79.4000113.8I119 Y165 F170 N202 A203 S204 G208 F561 F564I119-F206 HydrophobicContact CG2-CE1 4Å; I119-F206 HydrophobicContact CG2-CZ 4.29Å; Y165-F206 AromaticContact CE2-CD2 3.79Å; Y165-F206 HydrophobicContact CE2-CD2 3.79Å; Y165-F206 HydrophobicContact CE2-CE2 4.02Å; Y165-F206 AromaticContact CZ-CE2 3.85Å; Y165-F206 WeakPolarHBondContact OH-CE2 3.16Å; F170-F206 HydrophobicContact CD1-CB 3.69Å; F170-F206 HydrophobicContact CD1-CG 4.17Å; F170-F206 HydrophobicContact CD2-CB 3.68Å; F170-F206 HydrophobicContact CE1-CB 3.57Å; F170-F206 HydrophobicContact CE1-CD1 4.01Å; F170-F206 AromaticContact CE1-CD2 3.94Å; F170-F206 HydrophobicContact CE1-CD2 3.94Å; F170-F206 AromaticContact CE1-CG 3.57Å; F170-F206 HydrophobicContact CE1-CG 3.57Å; F170-F206 HydrophobicContact CE2-CB 3.57Å; F170-F206 AromaticContact CE2-CD1 3.97Å; F170-F206 HydrophobicContact CE2-CD1 3.97Å; F170-F206 HydrophobicContact CE2-CG 4.01Å; F170-F206 HydrophobicContact CG-CB 3.74Å; F170-F206 HydrophobicContact CZ-CB 3.51Å; F170-F206 AromaticContact CZ-CD1 3.45Å; F170-F206 HydrophobicContact CZ-CD1 3.45Å; F170-F206 VanDerWaalsContact CZ-CD1 3.45Å; F170-F206 HydrophobicContact CZ-CD2 4.24Å; F170-F206 HydrophobicContact CZ-CE1 4.2Å; F170-F206 AromaticContact CZ-CG 3.47Å; F170-F206 HydrophobicContact CZ-CG 3.47Å; F170-F206 VanDerWaalsContact CZ-CG 3.47Å; N202-F206 WeakPolarHBondContact O-CD2 3.44Å; N202-F206 PolarHBondContact O-N 2.88Å; A203-F206 PolarHBondContact O-N 3.06Å; S204-F206 VanDerWaalsContact C-N 3.31Å; S204-F206 PolarHBondContact O-N 2.99Å; F206-G208 VanDerWaalsContact C-N 3.29Å; F206-F561 AromaticContact CE2-CD2 3.98Å; F206-F561 HydrophobicContact CE2-CD2 3.98Å; F206-F564 HydrophobicContact CD1-CD1 4.32Å; F206-F564 HydrophobicContact CD1-CD2 4.4Å; F206-F564 HydrophobicContact CD1-CE1 4.38Å; F206-F564 HydrophobicContact CD1-CE2 4.46Å; F206-F564 HydrophobicContact CD1-CG 4.33Å; F206-F564 HydrophobicContact CD1-CZ 4.44Å; F206-F564 HydrophobicContact CE1-CB 3.79Å; F206-F564 AromaticContact CE1-CD1 3.76Å; F206-F564 HydrophobicContact CE1-CD1 3.76Å; F206-F564 AromaticContact CE1-CD2 3.64Å; F206-F564 HydrophobicContact CE1-CD2 3.64Å; F206-F564 HydrophobicContact CE1-CE1 4.23Å; F206-F564 HydrophobicContact CE1-CE2 4.13Å; F206-F564 AromaticContact CE1-CG 3.43Å; F206-F564 HydrophobicContact CE1-CG 3.43Å; F206-F564 VanDerWaalsContact CE1-CG 3.43Å; F206-F564 HydrophobicContact CE1-CZ 4.39Å; F206-F564 HydrophobicContact CZ-CB 3.54Å; F206-F564 AromaticContact CZ-CD1 3.87Å; F206-F564 HydrophobicContact CZ-CD1 3.87Å; F206-F564 HydrophobicContact CZ-CD2 4.29Å; F206-F564 AromaticContact CZ-CG 3.63Å; F206-F564 HydrophobicContact CZ-CG 3.63Å
207L91.8Very high93.5Very high80 Ų8030.9 Ų30.942%0.41918%0.176SC..THydrogen-bonded Turntrans-82.5-5169.5-70.7177.5000113.5F170 R171 I174 A203 S204 V205 D209F170-L207 HydrophobicContact CB-CD1 4.18Å; F170-L207 HydrophobicContact CB-CD2 3.85Å; F170-L207 HydrophobicContact CB-CG 3.71Å; F170-L207 HydrophobicContact CD2-CD2 4.4Å; R171-L207 HydrophobicContact CG-CD1 4.18Å; R171-L207 HydrophobicContact CG-CD2 4.14Å; I174-L207 HydrophobicContact CD1-CD1 3.45Å; I174-L207 VanDerWaalsContact CD1-CD1 3.45Å; A203-L207 PolarHBondContact O-N 2.89Å; S204-L207 CarbonylContact O-C 3.52Å; S204-L207 PolarHBondContact O-N 3.03Å; S204-L207 VanDerWaalsContact O-N 3.12Å; V205-L207 VanDerWaalsContact C-N 3.25Å; V205-L207 PolarHBondContact O-N 3.18Å; L207-D209 VanDerWaalsContact C-N 3.29Å
208G89.2Confident93.4Very high57 Ų5733 Ų3359%0.58818%0.184SC*.THydrogen-bonded Turntrans80.93.1-175.100000114.4S204 V205 F206 V210S204-G208 PolarHBondContact O-N 3.42Å; V205-G208 WeakPolarHBondContact O-CA 3.47Å; V205-G208 PolarHBondContact O-N 3.04Å; F206-G208 VanDerWaalsContact C-N 3.29Å; G208-V210 VanDerWaalsContact C-N 3.27Å; G208-V210 PolarHBondContact O-N 3.26Å
209D94.8Very high93.6Very high69 Ų6936.1 Ų36.137%0.36920%0.196SC..  trans-8669.6175.1-172.21.2000110.6S204 L207 T211 S212 A213S204-D209 WeakPolarHBondContact CB-O 3.32Å; S204-D209 PolarHBondContact O-N 3.41Å; L207-D209 VanDerWaalsContact C-N 3.29Å; D209-T211 VanDerWaalsContact C-N 3.26Å; D209-T211 PolarHBondContact O-N 2.94Å; D209-S212 VanDerWaalsContact CG-CB 3.43Å; D209-S212 PolarHBondContact O-N 2.85Å; D209-S212 WeakPolarHBondContact OD1-CB 3.4Å; D209-S212 PolarHBondContact OD1-N 3.25Å; D209-S212 VanDerWaalsContact OD1-N 3.08Å; D209-S212 PolarHBondContact OD1-OG 3.43Å; D209-S212 WeakPolarHBondContact OD2-CB 3.42Å; D209-S212 PolarHBondContact OD2-OG 3.18Å; D209-A213 PolarHBondContact O-N 3.15Å; D209-A213 VanDerWaalsContact O-N 3.15Å
210V92.5Very high93.7Very high16 Ų1634.5 Ų34.510%0.09719%0.187CC..Hα-helixtrans-67.4-29.3-177.1-173.90000111.6G208 A213 I214 C243 L246 L247G208-V210 VanDerWaalsContact C-N 3.27Å; G208-V210 PolarHBondContact O-N 3.26Å; V210-A213 WeakPolarHBondContact O-CB 3.33Å; V210-A213 PolarHBondContact O-N 2.95Å; V210-I214 HydrophobicContact CG1-CD1 4.29Å; V210-I214 WeakPolarHBondContact O-CG1 3.34Å; V210-I214 PolarHBondContact O-N 3.13Å; V210-C243 HydrophobicContact CG1-CB 3.65Å; V210-C243 WeakPolarHBondContact CG1-O 3.47Å; V210-L246 HydrophobicContact CG1-CB 4.5Å; V210-L246 HydrophobicContact CG2-CB 4.29Å; V210-L246 HydrophobicContact CG2-CD1 4.11Å; V210-L247 HydrophobicContact CB-CD2 4.1Å; V210-L247 HydrophobicContact CB-CG 4.31Å; V210-L247 HydrophobicContact CG1-CD1 4.05Å; V210-L247 HydrophobicContact CG1-CD2 4.17Å; V210-L247 HydrophobicContact CG1-CG 3.81Å
211T94.9Very high93.4Very high91 Ų9134.9 Ų34.956%0.55819%0.189SC*.Hα-helixtrans-65.5-48.6177.4-55.50000111.2D209 A213 I214 E215D209-T211 VanDerWaalsContact C-N 3.26Å; D209-T211 PolarHBondContact O-N 2.94Å; T211-A213 VanDerWaalsContact C-N 3.28Å; T211-A213 PolarHBondContact O-N 3.47Å; T211-I214 PolarHBondContact O-N 3.49Å; T211-E215 PolarHBondContact O-N 2.86Å
212S95.5Very high93.4Very high39 Ų3938.3 Ų38.327%0.27321%0.205SC..Hα-helixtrans-63.1-36.7174.3-64.40000111.9D209 I214 E215 Y216D209-S212 VanDerWaalsContact CG-CB 3.43Å; D209-S212 PolarHBondContact O-N 2.85Å; D209-S212 WeakPolarHBondContact OD1-CB 3.4Å; D209-S212 PolarHBondContact OD1-N 3.25Å; D209-S212 VanDerWaalsContact OD1-N 3.08Å; D209-S212 PolarHBondContact OD1-OG 3.43Å; D209-S212 WeakPolarHBondContact OD2-CB 3.42Å; D209-S212 PolarHBondContact OD2-OG 3.18Å; S212-I214 VanDerWaalsContact C-N 3.34Å; S212-I214 PolarHBondContact O-N 3.45Å; S212-E215 PolarHBondContact O-N 2.65Å; S212-Y216 WeakPolarHBondContact O-CD2 3.4Å; S212-Y216 PolarHBondContact O-N 3.11Å
213A94.8Very high93.3Very high0 Ų038.5 Ų38.50%021%0.206CC..Hα-helixtrans-58.9-44.7176.700000112.4G201 V205 D209 V210 T211 E215 Y216 Y217G201-A213 WeakPolarHBondContact O-CB 3.15Å; V205-A213 HydrophobicContact CG2-CB 3.47Å; V205-A213 VanDerWaalsContact CG2-CB 3.47Å; D209-A213 PolarHBondContact O-N 3.15Å; D209-A213 VanDerWaalsContact O-N 3.15Å; V210-A213 WeakPolarHBondContact O-CB 3.33Å; V210-A213 PolarHBondContact O-N 2.95Å; T211-A213 VanDerWaalsContact C-N 3.28Å; T211-A213 PolarHBondContact O-N 3.47Å; A213-E215 VanDerWaalsContact C-N 3.33Å; A213-E215 PolarHBondContact O-N 3.29Å; A213-Y216 PolarHBondContact O-N 3.4Å; A213-Y217 HydrophobicContact CB-CD2 4.35Å; A213-Y217 HydrophobicContact CB-CE2 4.01Å; A213-Y217 WeakPolarHBondContact O-CD2 3.11Å; A213-Y217 PolarHBondContact O-N 3.37Å
214I94.5Very high93.2Very high11 Ų1138.5 Ų38.56%0.05621%0.206CC..Hα-helixtrans-58.9-43.8176.3-73.7167.1000111.4V210 T211 S212 Y216 Y217 R218 M240 C243 F244 L247V210-I214 HydrophobicContact CG1-CD1 4.29Å; V210-I214 WeakPolarHBondContact O-CG1 3.34Å; V210-I214 PolarHBondContact O-N 3.13Å; T211-I214 PolarHBondContact O-N 3.49Å; S212-I214 VanDerWaalsContact C-N 3.34Å; S212-I214 PolarHBondContact O-N 3.45Å; I214-Y216 VanDerWaalsContact C-N 3.34Å; I214-Y216 PolarHBondContact O-N 3.26Å; I214-Y217 PolarHBondContact O-N 3.02Å; I214-R218 WeakPolarHBondContact O-CB 3.33Å; I214-R218 PolarHBondContact O-N 3.42Å; I214-M240 HydrophobicContact CB-SD 4.32Å; I214-M240 HydrophobicContact CG1-SD 4.26Å; I214-M240 HydrophobicContact CG2-CE 4.04Å; I214-M240 HydrophobicContact CG2-SD 4.06Å; I214-C243 HydrophobicContact CD1-CB 4.03Å; I214-C243 HydrophobicContact CG1-CB 3.64Å; I214-F244 HydrophobicContact CD1-CD1 4.36Å; I214-F244 HydrophobicContact CD1-CE1 3.98Å; I214-F244 HydrophobicContact CD1-CE2 4.35Å; I214-F244 HydrophobicContact CD1-CZ 3.97Å; I214-F244 HydrophobicContact CG2-CZ 4.35Å; I214-L247 HydrophobicContact CD1-CD1 3.51Å
215E96Very high92.9Very high86 Ų8640.2 Ų40.240%0.40221%0.213SC..Hα-helixtrans-63.5-40177.5-66-53.9132.500112T211 S212 A213 R218 K219T211-E215 PolarHBondContact O-N 2.86Å; S212-E215 PolarHBondContact O-N 2.65Å; A213-E215 VanDerWaalsContact C-N 3.33Å; A213-E215 PolarHBondContact O-N 3.29Å; E215-R218 IonicContact OE1-CZ 3.66Å; E215-R218 IonicContact OE1-NH1 2.88Å; E215-R218 PolarHBondContact OE1-NH1 3.02Å; E215-R218 IonicContact OE1-NH2 3.34Å; E215-R218 IonicContact OE2-NH1 3.19Å; E215-R218 PolarHBondContact OE2-NH1 3.21Å; E215-K219 WeakPolarHBondContact O-CG 3.39Å; E215-K219 PolarHBondContact O-N 3.18Å
216Y96.6Very high92.8Very high55 Ų5544 Ų4422%0.21623%0.231CC..Hα-helixtrans-68-45.2176-67-48.4000112.6Y197 L200 S212 A213 I214 R218 K219 A220Y197-Y216 AromaticContact CD1-CD1 3.67Å; Y197-Y216 HydrophobicContact CD1-CD1 3.67Å; Y197-Y216 HydrophobicContact CD1-CE1 4.38Å; Y197-Y216 HydrophobicContact CE1-CD1 4.11Å; Y197-Y216 WeakPolarHBondContact O-CB 3.39Å; L200-Y216 HydrophobicContact CB-CD1 4.2Å; L200-Y216 HydrophobicContact CB-CD2 3.71Å; L200-Y216 HydrophobicContact CB-CE1 4.31Å; L200-Y216 HydrophobicContact CB-CE2 3.87Å; L200-Y216 HydrophobicContact CB-CG 3.89Å; L200-Y216 HydrophobicContact CD1-CD1 4.28Å; L200-Y216 HydrophobicContact CD1-CE1 3.96Å; S212-Y216 WeakPolarHBondContact O-CD2 3.4Å; S212-Y216 PolarHBondContact O-N 3.11Å; A213-Y216 PolarHBondContact O-N 3.4Å; I214-Y216 VanDerWaalsContact C-N 3.34Å; I214-Y216 PolarHBondContact O-N 3.26Å; Y216-R218 VanDerWaalsContact C-N 3.31Å; Y216-R218 PolarHBondContact O-N 2.97Å; Y216-K219 PolarHBondContact O-N 2.97Å; Y216-A220 PolarHBondContact O-N 2.93Å
217Y94.7Very high92.8Very high0 Ų044.1 Ų44.10%023%0.232CC..Hα-helixtrans-64.3-35176.4-67.1-51.4000112.4T198 G201 N202 V205 A213 I214 K219 A220 I221 C243 F561T198-Y217 HydrophobicContact CG2-CE1 4.36Å; G201-Y217 VanDerWaalsContact C-OH 3.3Å; N202-Y217 WeakPolarHBondContact CA-OH 3.38Å; N202-Y217 PolarHBondContact N-OH 2.92Å; N202-Y217 VanDerWaalsContact N-OH 3.13Å; N202-Y217 WeakPolarHBondContact OD1-CE1 3.36Å; N202-Y217 PolarHBondContact OD1-OH 3.18Å; V205-Y217 HydrophobicContact CG2-CE2 4.23Å; A213-Y217 HydrophobicContact CB-CD2 4.35Å; A213-Y217 HydrophobicContact CB-CE2 4.01Å; A213-Y217 WeakPolarHBondContact O-CD2 3.11Å; A213-Y217 PolarHBondContact O-N 3.37Å; I214-Y217 PolarHBondContact O-N 3.02Å; Y217-K219 VanDerWaalsContact C-N 3.32Å; Y217-K219 PolarHBondContact O-N 3.33Å; Y217-A220 WeakPolarHBondContact O-CB 3.34Å; Y217-A220 PolarHBondContact O-N 3.46Å; Y217-A220 VanDerWaalsContact O-N 3.15Å; Y217-I221 WeakPolarHBondContact O-CG1 3.46Å; Y217-I221 PolarHBondContact O-N 3.36Å; Y217-C243 VanDerWaalsContact CE2-SG 3.54Å; Y217-F561 WeakPolarHBondContact OH-CZ 3.37Å
218R94.7Very high92.6Very high76 Ų7646.9 Ų46.929%0.28725%0.247SC..Hα-helixtrans-58.9-44.1173.3-172.4-177.4-69.5129.11.4111.3I214 E215 Y216 I221 Q222I214-R218 WeakPolarHBondContact O-CB 3.33Å; I214-R218 PolarHBondContact O-N 3.42Å; E215-R218 IonicContact OE1-CZ 3.66Å; E215-R218 IonicContact OE1-NH1 2.88Å; E215-R218 PolarHBondContact OE1-NH1 3.02Å; E215-R218 IonicContact OE1-NH2 3.34Å; E215-R218 IonicContact OE2-NH1 3.19Å; E215-R218 PolarHBondContact OE2-NH1 3.21Å; Y216-R218 VanDerWaalsContact C-N 3.31Å; Y216-R218 PolarHBondContact O-N 2.97Å; R218-I221 PolarHBondContact O-N 3.38Å; R218-Q222 PolarHBondContact O-N 3.3Å; R218-Q222 VanDerWaalsContact O-N 3.14Å
219K95.9Very high92.5Very high90 Ų9044.4 Ų44.439%0.39122%0.221SC..Hα-helixtrans-66-36.9174.8-67180-178.1-179.50112.3Y197 E215 Y216 Y217 Q222 L223Y197-K219 HydrophobicContact CD1-CB 4.14Å; Y197-K219 HydrophobicContact CD1-CD 4.03Å; Y197-K219 HydrophobicContact CD2-CB 3.8Å; Y197-K219 HydrophobicContact CE1-CB 4.2Å; Y197-K219 HydrophobicContact CE1-CD 3.4Å; Y197-K219 HydrophobicContact CE1-CG 4.45Å; Y197-K219 HydrophobicContact CE2-CB 3.89Å; Y197-K219 HydrophobicContact CE2-CD 4.11Å; Y197-K219 HydrophobicContact CG-CB 3.94Å; Y197-K219 VanDerWaalsContact CZ-CD 3.45Å; E215-K219 WeakPolarHBondContact O-CG 3.39Å; E215-K219 PolarHBondContact O-N 3.18Å; Y216-K219 PolarHBondContact O-N 2.97Å; Y217-K219 VanDerWaalsContact C-N 3.32Å; Y217-K219 PolarHBondContact O-N 3.33Å; K219-Q222 PolarHBondContact O-N 2.69Å; K219-L223 PolarHBondContact O-N 3.41Å; K219-L223 VanDerWaalsContact O-N 3.13Å
220A94.2Very high92.3Very high0 Ų042.8 Ų42.80%021%0.214CC..Hα-helixtrans-64.6-40.6175.100000112.3R194 Y216 Y217 L223 A224R194-A220 HydrophobicContact CG-CB 4.39Å; Y216-A220 PolarHBondContact O-N 2.93Å; Y217-A220 WeakPolarHBondContact O-CB 3.34Å; Y217-A220 PolarHBondContact O-N 3.46Å; Y217-A220 VanDerWaalsContact O-N 3.15Å; A220-L223 PolarHBondContact O-N 3.29Å; A220-A224 WeakPolarHBondContact O-CB 3.25Å; A220-A224 PolarHBondContact O-N 2.97Å
221I92.4Very high92.2Very high10 Ų1043 Ų435%0.05122%0.218CC..Hα-helixtrans-60.7-48.6175.2-70.5162.1000110.6Y217 R218 L223 A224 K225 Y237 M240Y217-I221 WeakPolarHBondContact O-CG1 3.46Å; Y217-I221 PolarHBondContact O-N 3.36Å; R218-I221 PolarHBondContact O-N 3.38Å; I221-L223 VanDerWaalsContact C-N 3.32Å; I221-L223 PolarHBondContact O-N 3.38Å; I221-A224 PolarHBondContact O-N 2.56Å; I221-K225 HydrophobicContact CG2-CD 4.35Å; I221-K225 WeakPolarHBondContact O-CG 3.34Å; I221-K225 PolarHBondContact O-N 2.87Å; I221-Y237 HydrophobicContact CD1-CD1 3.66Å; I221-Y237 HydrophobicContact CD1-CE1 3.74Å; I221-Y237 HydrophobicContact CG1-CD1 4.23Å; I221-Y237 HydrophobicContact CG1-CE1 4.15Å; I221-Y237 HydrophobicContact CG2-CE1 3.84Å; I221-M240 HydrophobicContact CD1-CG 3.83Å
222Q92.4Very high91.8Very high71 Ų7139.1 Ų39.133%0.33219%0.194SC..Hα-helixtrans-57.9-47.1179.4-177.1-179.3-7.700111.2R218 K219 K225 E226R218-Q222 PolarHBondContact O-N 3.3Å; R218-Q222 VanDerWaalsContact O-N 3.14Å; K219-Q222 PolarHBondContact O-N 2.69Å; Q222-K225 PolarHBondContact O-N 3.24Å; Q222-E226 PolarHBondContact NE2-OE1 3.46Å; Q222-E226 WeakPolarHBondContact O-CG 3.42Å; Q222-E226 PolarHBondContact O-N 3.41Å
223L89.3Confident91.6Very high18 Ų1837.4 Ų37.49%0.09418%0.181CC..Hα-helixtrans-66.4-37.8177.3-71.9168.8000112.5K190 M193 R194 Y197 K219 A220 I221 K225 E226 L227K190-L223 HydrophobicContact CB-CD2 4.23Å; K190-L223 HydrophobicContact CD-CD2 4.4Å; K190-L223 HydrophobicContact CG-CD2 4.25Å; M193-L223 HydrophobicContact CB-CD1 3.72Å; R194-L223 HydrophobicContact CB-CB 3.82Å; R194-L223 HydrophobicContact CB-CD1 3.92Å; R194-L223 HydrophobicContact CG-CB 4.15Å; Y197-L223 HydrophobicContact CD2-CD1 3.72Å; Y197-L223 HydrophobicContact CE2-CD1 3.9Å; K219-L223 PolarHBondContact O-N 3.41Å; K219-L223 VanDerWaalsContact O-N 3.13Å; A220-L223 PolarHBondContact O-N 3.29Å; I221-L223 VanDerWaalsContact C-N 3.32Å; I221-L223 PolarHBondContact O-N 3.38Å; L223-K225 VanDerWaalsContact C-N 3.3Å; L223-K225 PolarHBondContact O-N 3.14Å; L223-E226 PolarHBondContact O-N 3.27Å; L223-L227 WeakPolarHBondContact O-CB 2.95Å; L223-L227 WeakPolarHBondContact O-CD1 3.37Å; L223-L227 WeakPolarHBondContact O-CG 3.49Å; L223-L227 PolarHBondContact O-N 3.28Å
224A89.4Confident91.5Very high0 Ų037.4 Ų37.40%018%0.181CC..Hα-helixtrans-59.8-41.9176.600000111.4A220 I221 L227 N228 A229 V232 E233A220-A224 WeakPolarHBondContact O-CB 3.25Å; A220-A224 PolarHBondContact O-N 2.97Å; I221-A224 PolarHBondContact O-N 2.56Å; A224-L227 CarbonylContact O-C 3.57Å; A224-L227 PolarHBondContact O-N 3.15Å; A224-N228 PolarHBondContact O-N 2.88Å; A224-N228 VanDerWaalsContact O-N 3.09Å; A224-A229 PolarHBondContact O-N 2.89Å; A224-V232 HydrophobicContact CB-CB 4.42Å; A224-V232 HydrophobicContact CB-CG1 3.95Å; A224-E233 HydrophobicContact CB-CB 4.06Å
225K88.9Confident91.3Very high40 Ų4038.7 Ų38.717%0.17419%0.187CC..Hα-helixtrans-65.4-46.5174.3-70175.6-178.7-1800112.6I221 Q222 L223 L227 N228 E233 Y237 E370I221-K225 HydrophobicContact CG2-CD 4.35Å; I221-K225 WeakPolarHBondContact O-CG 3.34Å; I221-K225 PolarHBondContact O-N 2.87Å; Q222-K225 PolarHBondContact O-N 3.24Å; L223-K225 VanDerWaalsContact C-N 3.3Å; L223-K225 PolarHBondContact O-N 3.14Å; K225-L227 PolarHBondContact O-N 3.28Å; K225-N228 PolarHBondContact O-N 3.22Å; K225-E233 WeakPolarHBondContact CE-OE1 3.22Å; K225-E233 HydrophobicContact CG-CG 4.34Å; K225-Y237 WeakPolarHBondContact CE-OH 3.46Å; K225-Y237 PolarHBondContact NZ-OH 2.66Å; K225-E370 WeakPolarHBondContact CD-OE1 2.97Å; K225-E370 IonicContact NZ-OE1 3.06Å; K225-E370 PolarHBondContact NZ-OE1 3.4Å; K225-E370 IonicContact NZ-OE2 3.78Å; K225-E370 PolarHBondContact NZ-OE2 3.29Å
226E89.8Confident91.1Very high88 Ų8834.7 Ų34.741%0.41117%0.168SC..Hα-helixtrans-58.8-29.1176.2-72.5178.8-157.400112.8K190 Q222 L223K190-E226 IonicContact NZ-OE2 3.9Å; K190-E226 PolarHBondContact NZ-OE2 3.44Å; Q222-E226 PolarHBondContact NE2-OE1 3.46Å; Q222-E226 WeakPolarHBondContact O-CG 3.42Å; Q222-E226 PolarHBondContact O-N 3.41Å; L223-E226 PolarHBondContact O-N 3.27Å
227L86.5Confident91Very high29 Ų2932.2 Ų32.215%0.15216%0.159CC..THydrogen-bonded Turntrans-91.4-1.7177.9-65.7169.6000113.4K190 Y191 L223 A224 K225 A229K190-L227 HydrophobicContact CB-CD1 4.28Å; K190-L227 HydrophobicContact CB-CD2 3.91Å; K190-L227 HydrophobicContact CB-CG 4.36Å; K190-L227 HydrophobicContact CD-CD2 4.41Å; Y191-L227 HydrophobicContact CD1-CD1 3.66Å; Y191-L227 HydrophobicContact CD1-CD2 4.34Å; Y191-L227 HydrophobicContact CD1-CG 4.49Å; Y191-L227 HydrophobicContact CD2-CD2 4.1Å; Y191-L227 HydrophobicContact CE1-CB 4.24Å; Y191-L227 HydrophobicContact CE1-CD1 3.86Å; Y191-L227 HydrophobicContact CE1-CD2 4.01Å; Y191-L227 HydrophobicContact CE1-CG 4.26Å; Y191-L227 HydrophobicContact CE2-CD2 3.77Å; Y191-L227 HydrophobicContact CG-CD1 4.06Å; Y191-L227 HydrophobicContact CG-CD2 4.37Å; L223-L227 WeakPolarHBondContact O-CB 2.95Å; L223-L227 WeakPolarHBondContact O-CD1 3.37Å; L223-L227 WeakPolarHBondContact O-CG 3.49Å; L223-L227 PolarHBondContact O-N 3.28Å; A224-L227 CarbonylContact O-C 3.57Å; A224-L227 PolarHBondContact O-N 3.15Å; K225-L227 PolarHBondContact O-N 3.28Å; L227-A229 HydrophobicContact CB-CB 4.27Å; L227-A229 PolarHBondContact O-N 3.14Å
228N88.7Confident90.9Very high138 Ų13832.3 Ų32.374%0.73816%0.159SC*.THydrogen-bonded Turntrans51.832.3-170.3-57.4-66.1000113.3A224 K225 V230A224-N228 PolarHBondContact O-N 2.88Å; A224-N228 VanDerWaalsContact O-N 3.09Å; K225-N228 PolarHBondContact O-N 3.22Å; N228-V230 PolarHBondContact O-N 2.88Å
229A86.7Confident90.8Very high5 Ų528.7 Ų28.74%0.04115%0.146CC..  trans-88.774.4-179.100000110.5A224 L227 A231 V232 E233 P395A224-A229 PolarHBondContact O-N 2.89Å; L227-A229 HydrophobicContact CB-CB 4.27Å; L227-A229 PolarHBondContact O-N 3.14Å; A229-A231 PolarHBondContact O-N 3Å; A229-V232 HydrophobicContact CB-CB 3.94Å; A229-V232 HydrophobicContact CB-CG2 4.12Å; A229-V232 WeakPolarHBondContact O-CB 3.49Å; A229-V232 PolarHBondContact O-N 2.98Å; A229-V232 VanDerWaalsContact O-N 3.14Å; A229-E233 PolarHBondContact O-N 3.28Å; A229-P395 HydrophobicContact CB-CG 4.37Å
230V90.2Very high90.6Very high36 Ų3624.4 Ų24.422%0.21813%0.127CC..Hα-helixtrans-58.8-44.8-170.6-177.80000113.3N228 V232 E233 A234 I263 L267 Y378N228-V230 PolarHBondContact O-N 2.88Å; V230-V232 VanDerWaalsContact C-N 3.29Å; V230-V232 PolarHBondContact O-N 3.42Å; V230-E233 WeakPolarHBondContact O-CB 3.33Å; V230-E233 PolarHBondContact O-N 3.24Å; V230-A234 PolarHBondContact O-N 3.49Å; V230-I263 HydrophobicContact CG1-CG2 3.46Å; V230-I263 VanDerWaalsContact CG1-CG2 3.46Å; V230-L267 HydrophobicContact CG1-CD1 4.24Å; V230-L267 HydrophobicContact CG1-CD2 4.09Å; V230-L267 HydrophobicContact CG1-CG 4.43Å; V230-Y378 HydrophobicContact CB-CE1 4.34Å; V230-Y378 HydrophobicContact CG1-CD1 4.23Å; V230-Y378 HydrophobicContact CG1-CE1 3.61Å; V230-Y378 HydrophobicContact CG2-CE1 3.79Å
231A89.7Confident90.5Very high21 Ų2124.4 Ų24.417%0.17413%0.127CC..Hα-helixtrans-61.3-39.4178.100000112.2A229 A234 Q235 L267 V554A229-A231 PolarHBondContact O-N 3Å; A231-A234 WeakPolarHBondContact O-CB 3.33Å; A231-A234 PolarHBondContact O-N 2.95Å; A231-Q235 WeakPolarHBondContact O-CG 3.28Å; A231-Q235 PolarHBondContact O-N 2.92Å; A231-L267 HydrophobicContact CB-CD1 3.94Å; A231-V554 HydrophobicContact CB-CB 4.06Å; A231-V554 HydrophobicContact CB-CG2 4.2Å
232V87.3Confident90.5Very high9 Ų924 Ų246%0.05513%0.125CC..Hα-helixtrans-71.3-35.4178.7171.50000111.8A224 A229 V230 A234 Q235 S236A224-V232 HydrophobicContact CB-CB 4.42Å; A224-V232 HydrophobicContact CB-CG1 3.95Å; A229-V232 HydrophobicContact CB-CB 3.94Å; A229-V232 HydrophobicContact CB-CG2 4.12Å; A229-V232 WeakPolarHBondContact O-CB 3.49Å; A229-V232 PolarHBondContact O-N 2.98Å; A229-V232 VanDerWaalsContact O-N 3.14Å; V230-V232 VanDerWaalsContact C-N 3.29Å; V230-V232 PolarHBondContact O-N 3.42Å; V232-A234 VanDerWaalsContact C-N 3.3Å; V232-Q235 PolarHBondContact O-N 3.45Å; V232-S236 PolarHBondContact O-N 2.95Å; V232-S236 PolarHBondContact O-OG 3Å
233E91.5Very high90.4Very high2 Ų220.6 Ų20.61%0.00911%0.109CC..Hα-helixtrans-58.7-45.8170.6-174.4-174.7164.700110A224 K225 A229 V230 S236 Y237 I263 Y378A224-E233 HydrophobicContact CB-CB 4.06Å; K225-E233 WeakPolarHBondContact CE-OE1 3.22Å; K225-E233 HydrophobicContact CG-CG 4.34Å; A229-E233 PolarHBondContact O-N 3.28Å; V230-E233 WeakPolarHBondContact O-CB 3.33Å; V230-E233 PolarHBondContact O-N 3.24Å; E233-S236 WeakPolarHBondContact O-CB 3.36Å; E233-S236 PolarHBondContact O-N 3.32Å; E233-S236 VanDerWaalsContact O-N 3.13Å; E233-Y237 HydrophobicContact CG-CD2 4.14Å; E233-Y237 HydrophobicContact CG-CE2 3.5Å; E233-Y237 VanDerWaalsContact CG-CE2 3.5Å; E233-Y237 PolarHBondContact O-N 3.26Å; E233-Y237 WeakPolarHBondContact OE1-CE2 3.41Å; E233-Y237 PolarHBondContact OE1-OH 2.7Å; E233-I263 HydrophobicContact CB-CD1 4.34Å; E233-I263 HydrophobicContact CG-CD1 4.11Å; E233-Y378 PolarHBondContact OE2-OH 3.47Å
234A92.1Very high90.6Very high0 Ų020.6 Ų20.60%011%0.108CC..Hα-helixtrans-60.7-45.5176.300000112.5V230 A231 V232 S236 Y237 Y238 H260 I263 T555V230-A234 PolarHBondContact O-N 3.49Å; A231-A234 WeakPolarHBondContact O-CB 3.33Å; A231-A234 PolarHBondContact O-N 2.95Å; V232-A234 VanDerWaalsContact C-N 3.3Å; A234-S236 PolarHBondContact O-N 3.48Å; A234-Y237 PolarHBondContact O-N 3.35Å; A234-Y238 WeakPolarHBondContact O-CB 3.46Å; A234-Y238 PolarHBondContact O-N 2.94Å; A234-H260 PolarHBondContact O-CD2 3.01Å; A234-H260 VanDerWaalsContact O-CD2 3.29Å; A234-I263 HydrophobicContact CB-CB 3.81Å; A234-I263 HydrophobicContact CB-CD1 4.15Å; A234-I263 HydrophobicContact CB-CG2 3.59Å; A234-T555 HydrophobicContact CB-CG2 3.74Å
235Q91.4Very high90.7Very high38 Ų3821.1 Ų21.118%0.17811%0.111CC..Hα-helixtrans-56.8-36.7174-71.7176.21.100112.3A231 V232 Y238 S239 V554 T555 P557A231-Q235 WeakPolarHBondContact O-CG 3.28Å; A231-Q235 PolarHBondContact O-N 2.92Å; V232-Q235 PolarHBondContact O-N 3.45Å; Q235-Y238 WeakPolarHBondContact O-CB 3.43Å; Q235-S239 PolarHBondContact O-N 3.35Å; Q235-S239 PolarHBondContact O-OG 3.15Å; Q235-V554 PolarHBondContact NE2-O 3.41Å; Q235-T555 WeakPolarHBondContact CA-O 3.45Å; Q235-T555 WeakPolarHBondContact CG-O 3.1Å; Q235-T555 PolarHBondContact N-O 3.04Å; Q235-P557 HydrophobicContact CB-CG 3.93Å; Q235-P557 HydrophobicContact CG-CG 4.32Å; Q235-P557 WeakPolarHBondContact O-CG 3.49Å
236S91.6Very high90.7Very high2 Ų220.6 Ų20.61%0.01411%0.11CC..Hα-helixtrans-75.3-38.7179.2-53.80000111.8V232 E233 A234 Y238 S239 M240V232-S236 PolarHBondContact O-N 2.95Å; V232-S236 PolarHBondContact O-OG 3Å; E233-S236 WeakPolarHBondContact O-CB 3.36Å; E233-S236 PolarHBondContact O-N 3.32Å; E233-S236 VanDerWaalsContact O-N 3.13Å; A234-S236 PolarHBondContact O-N 3.48Å; S236-Y238 VanDerWaalsContact C-N 3.35Å; S236-S239 PolarHBondContact O-N 3.18Å; S236-M240 VanDerWaalsContact O-CG 3.31Å; S236-M240 WeakPolarHBondContact O-CG 3.49Å; S236-M240 PolarHBondContact O-N 2.95Å
237Y94.2Very high90.8Very high4 Ų420.2 Ų20.22%0.01611%0.111CC..Hα-helixtrans-63.4-40.3170.6-68.8-37.1000112.6I221 K225 E233 A234 S239 M240 G241 Y256 L259 I263I221-Y237 HydrophobicContact CD1-CD1 3.66Å; I221-Y237 HydrophobicContact CD1-CE1 3.74Å; I221-Y237 HydrophobicContact CG1-CD1 4.23Å; I221-Y237 HydrophobicContact CG1-CE1 4.15Å; I221-Y237 HydrophobicContact CG2-CE1 3.84Å; K225-Y237 WeakPolarHBondContact CE-OH 3.46Å; K225-Y237 PolarHBondContact NZ-OH 2.66Å; E233-Y237 HydrophobicContact CG-CD2 4.14Å; E233-Y237 HydrophobicContact CG-CE2 3.5Å; E233-Y237 VanDerWaalsContact CG-CE2 3.5Å; E233-Y237 PolarHBondContact O-N 3.26Å; E233-Y237 WeakPolarHBondContact OE1-CE2 3.41Å; E233-Y237 PolarHBondContact OE1-OH 2.7Å; A234-Y237 PolarHBondContact O-N 3.35Å; Y237-S239 VanDerWaalsContact C-N 3.32Å; Y237-S239 PolarHBondContact O-N 3.18Å; Y237-M240 PolarHBondContact O-N 3.37Å; Y237-G241 PolarHBondContact O-N 3.06Å; Y237-Y256 AromaticContact CD1-CD1 3.65Å; Y237-Y256 HydrophobicContact CD1-CD1 3.65Å; Y237-Y256 AromaticContact CD1-CE1 3.93Å; Y237-Y256 HydrophobicContact CD1-CE1 3.93Å; Y237-Y256 HydrophobicContact CE1-CD1 4.35Å; Y237-Y256 HydrophobicContact CE1-CE1 4.25Å; Y237-Y256 HydrophobicContact CG-CD1 4.43Å; Y237-L259 HydrophobicContact CD1-CB 4.44Å; Y237-L259 HydrophobicContact CD1-CD1 3.96Å; Y237-L259 HydrophobicContact CD2-CB 3.65Å; Y237-L259 HydrophobicContact CD2-CD1 4.38Å; Y237-L259 HydrophobicContact CE1-CD1 3.77Å; Y237-L259 HydrophobicContact CE2-CB 4Å; Y237-L259 HydrophobicContact CE2-CD1 4.22Å; Y237-L259 HydrophobicContact CG-CB 3.91Å; Y237-L259 HydrophobicContact CG-CD1 4.27Å; Y237-I263 HydrophobicContact CD2-CD1 3.91Å; Y237-I263 HydrophobicContact CE2-CD1 3.77Å
238Y92.1Very high91Very high1 Ų124 Ų240%0.00413%0.127CC..Hα-helixtrans-54.6-51.2172.2-178.3-92.5000110.7A234 Q235 S236 M240 G241 H242 H260 R275 P557 F562A234-Y238 WeakPolarHBondContact O-CB 3.46Å; A234-Y238 PolarHBondContact O-N 2.94Å; Q235-Y238 WeakPolarHBondContact O-CB 3.43Å; S236-Y238 VanDerWaalsContact C-N 3.35Å; Y238-M240 VanDerWaalsContact C-N 3.34Å; Y238-M240 PolarHBondContact O-N 3.28Å; Y238-G241 PolarHBondContact O-N 3.12Å; Y238-H242 AromaticContact CD1-CD2 3.67Å; Y238-H242 AromaticContact CD1-NE2 3.99Å; Y238-H242 AromaticContact CE1-CD2 3.28Å; Y238-H242 WeakPolarHBondContact CE1-CD2 3.48Å; Y238-H242 AromaticContact CE1-NE2 3.27Å; Y238-H242 VanDerWaalsContact CE1-NE2 3.27Å; Y238-H242 WeakPolarHBondContact CE1-NE2 3.29Å; Y238-H242 AromaticContact CE2-NE2 3.44Å; Y238-H242 WeakPolarHBondContact CE2-NE2 3.07Å; Y238-H242 AromaticContact CZ-CD2 3.49Å; Y238-H242 VanDerWaalsContact CZ-CD2 3.49Å; Y238-H242 AromaticContact CZ-NE2 2.92Å; Y238-H242 PolarHBondContact O-CD2 2.86Å; Y238-H242 PolarHBondContact O-N 3.03Å; Y238-H242 PolarHBondContact OH-NE2 3.21Å; Y238-H260 AromaticContact CD2-CE1 3.49Å; Y238-H260 VanDerWaalsContact CD2-CE1 3.49Å; Y238-H260 WeakPolarHBondContact CD2-CE1 3.49Å; Y238-H260 AromaticContact CD2-ND1 3.54Å; Y238-H260 AromaticContact CD2-NE2 3.99Å; Y238-R275 HydrophobicContact CE2-CB 4.11Å; Y238-P557 HydrophobicContact CD1-CG 3.7Å; Y238-P557 HydrophobicContact CE1-CG 4.43Å; Y238-P557 HydrophobicContact CG-CG 4.45Å; Y238-F562 HydrophobicContact CE1-CD2 4.07Å; Y238-F562 AromaticContact CZ-CD2 3.61Å; Y238-F562 AromaticContact CZ-CE2 3.97Å; Y238-F562 WeakPolarHBondContact OH-CD2 3.35Å; Y238-F562 WeakPolarHBondContact OH-CE2 3.47Å
239S92Very high91.3Very high1 Ų120.3 Ų20.31%0.00711%0.107CC..Hα-helixtrans-63.1-37.7179.6-54.70000112.9Q235 S236 Y237 H242 C243Q235-S239 PolarHBondContact O-N 3.35Å; Q235-S239 PolarHBondContact O-OG 3.15Å; S236-S239 PolarHBondContact O-N 3.18Å; Y237-S239 VanDerWaalsContact C-N 3.32Å; Y237-S239 PolarHBondContact O-N 3.18Å; S239-H242 PolarHBondContact O-N 3.41Å; S239-C243 PolarHBondContact O-N 3.39Å; S239-C243 PolarHBondContact O-SG 3.47Å
240M92.6Very high91.6Very high0 Ų021.7 Ų21.70%011%0.112CC..Hα-helixtrans-63.5-46.4174-76-75.5-7900112.3I214 I221 S236 Y237 Y238 H242 C243 F244 Y256I214-M240 HydrophobicContact CB-SD 4.32Å; I214-M240 HydrophobicContact CG1-SD 4.26Å; I214-M240 HydrophobicContact CG2-CE 4.04Å; I214-M240 HydrophobicContact CG2-SD 4.06Å; I221-M240 HydrophobicContact CD1-CG 3.83Å; S236-M240 VanDerWaalsContact O-CG 3.31Å; S236-M240 WeakPolarHBondContact O-CG 3.49Å; S236-M240 PolarHBondContact O-N 2.95Å; Y237-M240 PolarHBondContact O-N 3.37Å; Y238-M240 VanDerWaalsContact C-N 3.34Å; Y238-M240 PolarHBondContact O-N 3.28Å; M240-H242 PolarHBondContact O-N 3.4Å; M240-C243 WeakPolarHBondContact O-CB 3.32Å; M240-C243 PolarHBondContact O-N 3.08Å; M240-C243 VanDerWaalsContact O-N 3.11Å; M240-F244 HydrophobicContact CE-CE2 3.77Å; M240-F244 HydrophobicContact CE-CZ 4.43Å; M240-F244 WeakPolarHBondContact O-CD2 3.34Å; M240-F244 PolarHBondContact O-N 3.41Å; M240-Y256 HydrophobicContact CB-CD1 3.71Å; M240-Y256 HydrophobicContact CB-CD2 4.12Å; M240-Y256 HydrophobicContact CB-CE1 4.08Å; M240-Y256 HydrophobicContact CB-CE2 4.46Å; M240-Y256 HydrophobicContact CB-CG 3.73Å; M240-Y256 HydrophobicContact CE-CE1 3.78Å; M240-Y256 HydrophobicContact CE-CE2 3.78Å; M240-Y256 VanDerWaalsContact CE-OH 3.25Å; M240-Y256 WeakPolarHBondContact CE-OH 3.39Å; M240-Y256 HydrophobicContact CG-CD1 4.37Å; M240-Y256 HydrophobicContact CG-CE1 4.31Å
241G92.8Very high91.8Very high0 Ų023 Ų230%012%0.115CC..Hα-helixtrans-57.3-39.1178.200000112.4Y237 Y238 F244 T245 A253 H257Y237-G241 PolarHBondContact O-N 3.06Å; Y238-G241 PolarHBondContact O-N 3.12Å; G241-F244 PolarHBondContact O-N 3.15Å; G241-T245 PolarHBondContact O-N 3.41Å; G241-T245 PolarHBondContact O-OG1 3.47Å; G241-A253 WeakPolarHBondContact O-CB 3.38Å; G241-H257 WeakPolarHBondContact CA-NE2 3.4Å; G241-H257 PolarHBondContact O-NE2 3.35Å
242H91Very high91.9Very high0 Ų022.3 Ų22.30%011%0.11CC..Hα-helixtrans-68.2-41.7174.1-76.6-63.2000114Y238 S239 M240 F244 T245 L246 H257 L565 Q569Y238-H242 AromaticContact CD1-CD2 3.67Å; Y238-H242 AromaticContact CD1-NE2 3.99Å; Y238-H242 AromaticContact CE1-CD2 3.28Å; Y238-H242 WeakPolarHBondContact CE1-CD2 3.48Å; Y238-H242 AromaticContact CE1-NE2 3.27Å; Y238-H242 VanDerWaalsContact CE1-NE2 3.27Å; Y238-H242 WeakPolarHBondContact CE1-NE2 3.29Å; Y238-H242 AromaticContact CE2-NE2 3.44Å; Y238-H242 WeakPolarHBondContact CE2-NE2 3.07Å; Y238-H242 AromaticContact CZ-CD2 3.49Å; Y238-H242 VanDerWaalsContact CZ-CD2 3.49Å; Y238-H242 AromaticContact CZ-NE2 2.92Å; Y238-H242 PolarHBondContact O-CD2 2.86Å; Y238-H242 PolarHBondContact O-N 3.03Å; Y238-H242 PolarHBondContact OH-NE2 3.21Å; S239-H242 PolarHBondContact O-N 3.41Å; M240-H242 PolarHBondContact O-N 3.4Å; H242-F244 VanDerWaalsContact C-N 3.3Å; H242-F244 PolarHBondContact O-N 3.33Å; H242-T245 WeakPolarHBondContact O-CB 3.48Å; H242-T245 PolarHBondContact O-N 3.36Å; H242-T245 VanDerWaalsContact O-N 3.14Å; H242-L246 WeakPolarHBondContact O-CG 3.38Å; H242-L246 PolarHBondContact O-N 3.41Å; H242-H257 AromaticContact CD2-CE1 3.87Å; H242-H257 AromaticContact NE2-CE1 3.74Å; H242-L565 HydrophobicContact CB-CD1 3.41Å; H242-L565 VanDerWaalsContact CB-CD1 3.41Å; H242-L565 HydrophobicContact CB-CD2 4Å; H242-L565 HydrophobicContact CB-CG 4.24Å; H242-L565 VanDerWaalsContact CG-CD1 3.44Å; H242-Q569 PolarHBondContact ND1-NE2 3.44Å
243C91.8Very high92.2Very high0 Ų021.9 Ų21.90%011%0.107CC..Hα-helixtrans-57.2-45.2174.3-68.90000111.3V210 I214 Y217 S239 M240 T245 L246 L247V210-C243 HydrophobicContact CG1-CB 3.65Å; V210-C243 WeakPolarHBondContact CG1-O 3.47Å; I214-C243 HydrophobicContact CD1-CB 4.03Å; I214-C243 HydrophobicContact CG1-CB 3.64Å; Y217-C243 VanDerWaalsContact CE2-SG 3.54Å; S239-C243 PolarHBondContact O-N 3.39Å; S239-C243 PolarHBondContact O-SG 3.47Å; M240-C243 WeakPolarHBondContact O-CB 3.32Å; M240-C243 PolarHBondContact O-N 3.08Å; M240-C243 VanDerWaalsContact O-N 3.11Å; C243-T245 VanDerWaalsContact C-N 3.34Å; C243-T245 PolarHBondContact O-N 3.02Å; C243-L246 WeakPolarHBondContact O-CB 3.38Å; C243-L246 PolarHBondContact O-N 2.97Å; C243-L247 WeakPolarHBondContact O-CG 3.33Å; C243-L247 PolarHBondContact O-N 3.13Å
244F93Very high92.3Very high19 Ų1923.2 Ų23.28%0.08311%0.114CC..Hα-helixtrans-68.4-32177-74.4-68.4000113.1I214 M240 G241 H242 L246 L247 H248 D249 S252 A253 Y256 M365I214-F244 HydrophobicContact CD1-CD1 4.36Å; I214-F244 HydrophobicContact CD1-CE1 3.98Å; I214-F244 HydrophobicContact CD1-CE2 4.35Å; I214-F244 HydrophobicContact CD1-CZ 3.97Å; I214-F244 HydrophobicContact CG2-CZ 4.35Å; M240-F244 HydrophobicContact CE-CE2 3.77Å; M240-F244 HydrophobicContact CE-CZ 4.43Å; M240-F244 WeakPolarHBondContact O-CD2 3.34Å; M240-F244 PolarHBondContact O-N 3.41Å; G241-F244 PolarHBondContact O-N 3.15Å; H242-F244 VanDerWaalsContact C-N 3.3Å; H242-F244 PolarHBondContact O-N 3.33Å; F244-L246 VanDerWaalsContact C-N 3.33Å; F244-L247 HydrophobicContact CD1-CD1 4.46Å; F244-L247 CarbonylContact O-C 3.59Å; F244-L247 PolarHBondContact O-N 2.9Å; F244-H248 PolarHBondContact O-N 3.23Å; F244-D249 HydrophobicContact CB-CB 4.47Å; F244-D249 HydrophobicContact CD1-CB 4.01Å; F244-D249 PolarHBondContact O-N 2.94Å; F244-S252 VanDerWaalsContact CD1-CB 3.49Å; F244-A253 HydrophobicContact CB-CB 3.91Å; F244-Y256 AromaticContact CD2-CD2 3.56Å; F244-Y256 HydrophobicContact CD2-CD2 3.56Å; F244-Y256 AromaticContact CD2-CE2 3.74Å; F244-Y256 HydrophobicContact CD2-CE2 3.74Å; F244-Y256 AromaticContact CE2-CD2 3.59Å; F244-Y256 HydrophobicContact CE2-CD2 3.59Å; F244-Y256 AromaticContact CE2-CE2 3.23Å; F244-Y256 HydrophobicContact CE2-CE2 3.23Å; F244-Y256 HydrophobicContact CZ-CE2 4.1Å; F244-M365 HydrophobicContact CE1-CE 4.41Å; F244-M365 HydrophobicContact CE2-CE 4.26Å; F244-M365 HydrophobicContact CZ-CE 3.93Å
245T91Very high92.4Very high11 Ų1123.5 Ų23.57%0.06712%0.115CC..Hα-helixtrans-65.5-36.6171.4-56.20000112.1G241 H242 C243 L247 H248 Y250 A253 Q569 R572G241-T245 PolarHBondContact O-N 3.41Å; G241-T245 PolarHBondContact O-OG1 3.47Å; H242-T245 WeakPolarHBondContact O-CB 3.48Å; H242-T245 PolarHBondContact O-N 3.36Å; H242-T245 VanDerWaalsContact O-N 3.14Å; C243-T245 VanDerWaalsContact C-N 3.34Å; C243-T245 PolarHBondContact O-N 3.02Å; T245-L247 VanDerWaalsContact C-N 3.31Å; T245-H248 PolarHBondContact O-N 2.67Å; T245-Y250 HydrophobicContact CG2-CE1 4.2Å; T245-A253 WeakPolarHBondContact OG1-CB 3.39Å; T245-Q569 HydrophobicContact CG2-CG 4.31Å; T245-R572 PolarHBondContact O-NH1 3.24Å
246L89.6Confident92.5Very high28 Ų2822.1 Ų22.115%0.14711%0.108CC..Hα-helixtrans-65.6-34.9172.7-69.2176.2000112.1V205 V210 H242 C243 F244 H248 L565 L568V205-L246 HydrophobicContact CG1-CD1 3.65Å; V210-L246 HydrophobicContact CG1-CB 4.5Å; V210-L246 HydrophobicContact CG2-CB 4.29Å; V210-L246 HydrophobicContact CG2-CD1 4.11Å; H242-L246 WeakPolarHBondContact O-CG 3.38Å; H242-L246 PolarHBondContact O-N 3.41Å; C243-L246 WeakPolarHBondContact O-CB 3.38Å; C243-L246 PolarHBondContact O-N 2.97Å; F244-L246 VanDerWaalsContact C-N 3.33Å; L246-H248 VanDerWaalsContact C-N 3.28Å; L246-H248 PolarHBondContact O-N 3.41Å; L246-L565 HydrophobicContact CD1-CD2 3.82Å; L246-L565 HydrophobicContact CD2-CD2 4.2Å; L246-L565 HydrophobicContact CG-CD2 4.07Å; L246-L568 HydrophobicContact CD2-CD2 3.68Å
247L91.7Very high92.6Very high81 Ų8122 Ų2242%0.42411%0.107SC..THydrogen-bonded Turntrans-81.4-0.9175.7-66.3176.8000114.2V210 I214 C243 F244 T245 D249V210-L247 HydrophobicContact CB-CD2 4.1Å; V210-L247 HydrophobicContact CB-CG 4.31Å; V210-L247 HydrophobicContact CG1-CD1 4.05Å; V210-L247 HydrophobicContact CG1-CD2 4.17Å; V210-L247 HydrophobicContact CG1-CG 3.81Å; I214-L247 HydrophobicContact CD1-CD1 3.51Å; C243-L247 WeakPolarHBondContact O-CG 3.33Å; C243-L247 PolarHBondContact O-N 3.13Å; F244-L247 HydrophobicContact CD1-CD1 4.46Å; F244-L247 CarbonylContact O-C 3.59Å; F244-L247 PolarHBondContact O-N 2.9Å; T245-L247 VanDerWaalsContact C-N 3.31Å; L247-D249 PolarHBondContact O-N 3.39Å
248H91.2Very high92.6Very high108 Ų10822 Ų2250%0.511%0.108SC..THydrogen-bonded Turntrans6018.6-173.8-52.2-73.5000114.9F244 T245 L246 Y250 R572F244-H248 PolarHBondContact O-N 3.23Å; T245-H248 PolarHBondContact O-N 2.67Å; L246-H248 VanDerWaalsContact C-N 3.28Å; L246-H248 PolarHBondContact O-N 3.41Å; H248-Y250 VanDerWaalsContact C-N 3.3Å; H248-Y250 HydrophobicContact CB-CE2 3.99Å; H248-Y250 AromaticContact ND1-CZ 3.71Å; H248-Y250 PolarHBondContact ND1-OH 3.4Å; H248-Y250 VanDerWaalsContact O-CD2 3.28Å; H248-Y250 WeakPolarHBondContact O-CD2 3.38Å; H248-Y250 PolarHBondContact O-N 2.89Å; H248-Y250 VanDerWaalsContact O-N 3.17Å; H248-R572 PolarHBondContact CE1-NH1 2.96Å
249D93.5Very high92.7Very high60 Ų6022 Ų2232%0.32111%0.108SC..  trans-8875169.3-177.3-2.8000109.1F244 L247 E251 S252 A253F244-D249 HydrophobicContact CB-CB 4.47Å; F244-D249 HydrophobicContact CD1-CB 4.01Å; F244-D249 PolarHBondContact O-N 2.94Å; L247-D249 PolarHBondContact O-N 3.39Å; D249-E251 PolarHBondContact O-N 2.87Å; D249-E251 PolarHBondContact OD1-N 3.33Å; D249-S252 VanDerWaalsContact CG-CB 3.42Å; D249-S252 PolarHBondContact O-N 3.21Å; D249-S252 PolarHBondContact OD1-N 3.47Å; D249-S252 PolarHBondContact OD1-OG 3.48Å; D249-S252 WeakPolarHBondContact OD2-CB 3.47Å; D249-S252 PolarHBondContact OD2-OG 3.28Å; D249-A253 PolarHBondContact O-N 3.22Å
250Y93.4Very high92.8Very high35 Ų3522 Ų2214%0.13711%0.108CC..Hα-helixtrans-66.4-23.4-177.4-53.4-69.2000112.6T245 H248 M254 H286T245-Y250 HydrophobicContact CG2-CE1 4.2Å; H248-Y250 VanDerWaalsContact C-N 3.3Å; H248-Y250 HydrophobicContact CB-CE2 3.99Å; H248-Y250 AromaticContact ND1-CZ 3.71Å; H248-Y250 PolarHBondContact ND1-OH 3.4Å; H248-Y250 VanDerWaalsContact O-CD2 3.28Å; H248-Y250 WeakPolarHBondContact O-CD2 3.38Å; H248-Y250 PolarHBondContact O-N 2.89Å; H248-Y250 VanDerWaalsContact O-N 3.17Å; Y250-M254 VanDerWaalsContact O-CB 3.31Å; Y250-M254 WeakPolarHBondContact O-CB 3.35Å; Y250-M254 PolarHBondContact O-N 3.31Å; Y250-H286 HydrophobicContact CD1-CB 3.71Å; Y250-H286 AromaticContact CD1-CD2 3.66Å; Y250-H286 AromaticContact CD1-CG 3.94Å; Y250-H286 HydrophobicContact CD2-CB 3.41Å; Y250-H286 VanDerWaalsContact CD2-CB 3.41Å; Y250-H286 HydrophobicContact CE1-CB 3.85Å; Y250-H286 AromaticContact CE1-CD2 3.19Å; Y250-H286 WeakPolarHBondContact CE1-CD2 3.5Å; Y250-H286 AromaticContact CE1-CG 3.6Å; Y250-H286 HydrophobicContact CE2-CB 3.53Å; Y250-H286 AromaticContact CE2-CG 3.79Å; Y250-H286 HydrophobicContact CG-CB 3.47Å; Y250-H286 VanDerWaalsContact CG-CB 3.47Å; Y250-H286 AromaticContact CZ-CD2 3.49Å; Y250-H286 VanDerWaalsContact CZ-CD2 3.49Å; Y250-H286 AromaticContact CZ-CG 3.49Å; Y250-H286 VanDerWaalsContact CZ-CG 3.49Å
251E93.9Very high92.9Very high62 Ų6222 Ų2229%0.2911%0.108SC..Hα-helixtrans-65.1-47.6174.9-161.8-162.3139.500109.6D249 K255 L287 K361D249-E251 PolarHBondContact O-N 2.87Å; D249-E251 PolarHBondContact OD1-N 3.33Å; E251-K255 VanDerWaalsContact O-CG 3.27Å; E251-K255 WeakPolarHBondContact O-CG 3.34Å; E251-K255 PolarHBondContact O-N 3.43Å; E251-K255 WeakPolarHBondContact OE1-CE 3.2Å; E251-K255 IonicContact OE1-NZ 2.91Å; E251-K255 PolarHBondContact OE1-NZ 3.31Å; E251-L287 HydrophobicContact CB-CD2 4.36Å; E251-K361 VanDerWaalsContact OE1-CD 3.29Å; E251-K361 WeakPolarHBondContact OE1-CD 3.28Å; E251-K361 IonicContact OE1-NZ 3.68Å; E251-K361 IonicContact OE2-NZ 2.96Å; E251-K361 PolarHBondContact OE2-NZ 3.29Å
252S93.1Very high92.8Very high7 Ų722.2 Ų22.25%0.04911%0.109CC..Hα-helixtrans-69.2-40.6175.5-65.50000112.6F244 D249 M254 K255 Y256 M365F244-S252 VanDerWaalsContact CD1-CB 3.49Å; D249-S252 VanDerWaalsContact CG-CB 3.42Å; D249-S252 PolarHBondContact O-N 3.21Å; D249-S252 PolarHBondContact OD1-N 3.47Å; D249-S252 PolarHBondContact OD1-OG 3.48Å; D249-S252 WeakPolarHBondContact OD2-CB 3.47Å; D249-S252 PolarHBondContact OD2-OG 3.28Å; S252-M254 PolarHBondContact O-N 3.02Å; S252-K255 WeakPolarHBondContact O-CB 3.1Å; S252-K255 PolarHBondContact O-N 3.47Å; S252-K255 VanDerWaalsContact O-N 3.15Å; S252-Y256 WeakPolarHBondContact O-CD2 3.05Å; S252-Y256 PolarHBondContact O-N 3.43Å; S252-Y256 VanDerWaalsContact O-N 3.14Å; S252-M365 WeakPolarHBondContact OG-CE 3.33Å
253A93.1Very high92.9Very high0 Ų022.3 Ų22.30%011%0.109CC..Hα-helixtrans-57.6-47.6176.900000111.8G241 F244 T245 D249 K255 Y256 H257G241-A253 WeakPolarHBondContact O-CB 3.38Å; F244-A253 HydrophobicContact CB-CB 3.91Å; T245-A253 WeakPolarHBondContact OG1-CB 3.39Å; D249-A253 PolarHBondContact O-N 3.22Å; A253-K255 VanDerWaalsContact C-N 3.28Å; A253-K255 PolarHBondContact O-N 3.42Å; A253-Y256 PolarHBondContact O-N 3.02Å; A253-H257 PolarHBondContact O-CD2 3.35Å; A253-H257 PolarHBondContact O-N 2.92Å
254M94.3Very high92.9Very high30 Ų3022.3 Ų22.315%0.14811%0.109CC..Hα-helixtrans-56.4-42.5176.6-177.3-158.570.700111.5Y250 S252 L258 L280 A283 L284 L287Y250-M254 VanDerWaalsContact O-CB 3.31Å; Y250-M254 WeakPolarHBondContact O-CB 3.35Å; Y250-M254 PolarHBondContact O-N 3.31Å; S252-M254 PolarHBondContact O-N 3.02Å; M254-L258 VanDerWaalsContact O-CB 3.29Å; M254-L258 WeakPolarHBondContact O-CB 3.05Å; M254-L258 PolarHBondContact O-N 2.92Å; M254-L280 HydrophobicContact CG-CD2 3.87Å; M254-L280 WeakPolarHBondContact O-CD2 3.38Å; M254-A283 HydrophobicContact CB-CB 4.29Å; M254-L284 HydrophobicContact CG-CD2 4.4Å; M254-L284 HydrophobicContact SD-CD2 3.73Å; M254-L284 HydrophobicContact SD-CG 4.47Å; M254-L287 HydrophobicContact CB-CD1 4.23Å; M254-L287 HydrophobicContact SD-CD1 4.06Å
255K93.6Very high92.8Very high7 Ų721.7 Ų21.73%0.0311%0.106CC..Hα-helixtrans-62.4-48179.7-63.6170-172.1159.80111.6E251 S252 A253 L258 L259 L356 F362 M365E251-K255 VanDerWaalsContact O-CG 3.27Å; E251-K255 WeakPolarHBondContact O-CG 3.34Å; E251-K255 PolarHBondContact O-N 3.43Å; E251-K255 WeakPolarHBondContact OE1-CE 3.2Å; E251-K255 IonicContact OE1-NZ 2.91Å; E251-K255 PolarHBondContact OE1-NZ 3.31Å; S252-K255 WeakPolarHBondContact O-CB 3.1Å; S252-K255 PolarHBondContact O-N 3.47Å; S252-K255 VanDerWaalsContact O-N 3.15Å; A253-K255 VanDerWaalsContact C-N 3.28Å; A253-K255 PolarHBondContact O-N 3.42Å; K255-L258 WeakPolarHBondContact O-CB 3.49Å; K255-L258 PolarHBondContact O-N 3.17Å; K255-L259 WeakPolarHBondContact O-CG 3.42Å; K255-L259 PolarHBondContact O-N 3.11Å; K255-L259 VanDerWaalsContact O-N 3.08Å; K255-L356 HydrophobicContact CB-CD1 3.98Å; K255-L356 HydrophobicContact CB-CD2 4.36Å; K255-L356 HydrophobicContact CD-CD1 3.87Å; K255-L356 HydrophobicContact CG-CD1 3.52Å; K255-F362 HydrophobicContact CB-CD2 4.3Å; K255-F362 HydrophobicContact CD-CB 4.27Å; K255-F362 HydrophobicContact CD-CD2 4.04Å; K255-M365 HydrophobicContact CD-SD 4.19Å
256Y93.8Very high92.7Very high8 Ų822.8 Ų22.83%0.03111%0.114CC..Hα-helixtrans-70.2-38-178.8-78.9-70.4000113.2Y237 M240 F244 S252 A253 L258 L259 H260 M365Y237-Y256 AromaticContact CD1-CD1 3.65Å; Y237-Y256 HydrophobicContact CD1-CD1 3.65Å; Y237-Y256 AromaticContact CD1-CE1 3.93Å; Y237-Y256 HydrophobicContact CD1-CE1 3.93Å; Y237-Y256 HydrophobicContact CE1-CD1 4.35Å; Y237-Y256 HydrophobicContact CE1-CE1 4.25Å; Y237-Y256 HydrophobicContact CG-CD1 4.43Å; M240-Y256 HydrophobicContact CB-CD1 3.71Å; M240-Y256 HydrophobicContact CB-CD2 4.12Å; M240-Y256 HydrophobicContact CB-CE1 4.08Å; M240-Y256 HydrophobicContact CB-CE2 4.46Å; M240-Y256 HydrophobicContact CB-CG 3.73Å; M240-Y256 HydrophobicContact CE-CE1 3.78Å; M240-Y256 HydrophobicContact CE-CE2 3.78Å; M240-Y256 VanDerWaalsContact CE-OH 3.25Å; M240-Y256 WeakPolarHBondContact CE-OH 3.39Å; M240-Y256 HydrophobicContact CG-CD1 4.37Å; M240-Y256 HydrophobicContact CG-CE1 4.31Å; F244-Y256 AromaticContact CD2-CD2 3.56Å; F244-Y256 HydrophobicContact CD2-CD2 3.56Å; F244-Y256 AromaticContact CD2-CE2 3.74Å; F244-Y256 HydrophobicContact CD2-CE2 3.74Å; F244-Y256 AromaticContact CE2-CD2 3.59Å; F244-Y256 HydrophobicContact CE2-CD2 3.59Å; F244-Y256 AromaticContact CE2-CE2 3.23Å; F244-Y256 HydrophobicContact CE2-CE2 3.23Å; F244-Y256 HydrophobicContact CZ-CE2 4.1Å; S252-Y256 WeakPolarHBondContact O-CD2 3.05Å; S252-Y256 PolarHBondContact O-N 3.43Å; S252-Y256 VanDerWaalsContact O-N 3.14Å; A253-Y256 PolarHBondContact O-N 3.02Å; Y256-L258 VanDerWaalsContact C-N 3.28Å; Y256-L258 PolarHBondContact O-N 3.46Å; Y256-L259 HydrophobicContact CD1-CD1 4.13Å; Y256-L259 HydrophobicContact CE1-CD1 4.43Å; Y256-L259 PolarHBondContact O-N 3.41Å; Y256-H260 PolarHBondContact O-N 3.14Å; Y256-M365 HydrophobicContact CE2-CE 3.64Å
257H94.1Very high92.7Very high0 Ų023 Ų230%012%0.115CC..Hα-helixtrans-66.8-30.6172.9-69-56.1000112.4G241 H242 A253 H260 L261 L280G241-H257 WeakPolarHBondContact CA-NE2 3.4Å; G241-H257 PolarHBondContact O-NE2 3.35Å; H242-H257 AromaticContact CD2-CE1 3.87Å; H242-H257 AromaticContact NE2-CE1 3.74Å; A253-H257 PolarHBondContact O-CD2 3.35Å; A253-H257 PolarHBondContact O-N 2.92Å; H257-H260 PolarHBondContact O-N 2.89Å; H257-L261 WeakPolarHBondContact O-CB 3.48Å; H257-L261 PolarHBondContact O-N 3.19Å; H257-L280 HydrophobicContact CB-CD2 3.85Å; H257-L280 HydrophobicContact CB-CG 3.78Å
258L94Very high92.7Very high4 Ų424.2 Ų24.22%0.02112%0.117CC..Hα-helixtrans-69-38173.7-169.968000112.1M254 K255 Y256 L261 N262 L280 I349 L352 L353 L356M254-L258 VanDerWaalsContact O-CB 3.29Å; M254-L258 WeakPolarHBondContact O-CB 3.05Å; M254-L258 PolarHBondContact O-N 2.92Å; K255-L258 WeakPolarHBondContact O-CB 3.49Å; K255-L258 PolarHBondContact O-N 3.17Å; Y256-L258 VanDerWaalsContact C-N 3.28Å; Y256-L258 PolarHBondContact O-N 3.46Å; L258-L261 PolarHBondContact O-N 2.67Å; L258-N262 PolarHBondContact O-N 2.91Å; L258-L280 HydrophobicContact CB-CD2 4.29Å; L258-L280 HydrophobicContact CD1-CD1 4.42Å; L258-I349 HydrophobicContact CD1-CG2 4.27Å; L258-L352 HydrophobicContact CD1-CB 4.28Å; L258-L352 HydrophobicContact CD2-CB 3.69Å; L258-L353 HydrophobicContact CD1-CD2 4.44Å; L258-L353 HydrophobicContact CD1-CG 4.5Å; L258-L353 HydrophobicContact CD2-CD2 3.88Å; L258-L353 HydrophobicContact CD2-CG 4.17Å; L258-L353 HydrophobicContact CG-CD2 3.71Å; L258-L353 HydrophobicContact CG-CG 4.2Å; L258-L356 HydrophobicContact CD2-CD2 4.11Å
259L93.7Very high92.7Very high2 Ų219.6 Ų19.61%0.0110%0.096CC..Hα-helixtrans-63.1-45.1171.9-66.6178000111.8Y237 K255 Y256 N262 I263 L356 F362 V375 L376Y237-L259 HydrophobicContact CD1-CB 4.44Å; Y237-L259 HydrophobicContact CD1-CD1 3.96Å; Y237-L259 HydrophobicContact CD2-CB 3.65Å; Y237-L259 HydrophobicContact CD2-CD1 4.38Å; Y237-L259 HydrophobicContact CE1-CD1 3.77Å; Y237-L259 HydrophobicContact CE2-CB 4Å; Y237-L259 HydrophobicContact CE2-CD1 4.22Å; Y237-L259 HydrophobicContact CG-CB 3.91Å; Y237-L259 HydrophobicContact CG-CD1 4.27Å; K255-L259 WeakPolarHBondContact O-CG 3.42Å; K255-L259 PolarHBondContact O-N 3.11Å; K255-L259 VanDerWaalsContact O-N 3.08Å; Y256-L259 HydrophobicContact CD1-CD1 4.13Å; Y256-L259 HydrophobicContact CE1-CD1 4.43Å; Y256-L259 PolarHBondContact O-N 3.41Å; L259-N262 PolarHBondContact O-N 3.39Å; L259-I263 PolarHBondContact O-N 2.86Å; L259-I263 VanDerWaalsContact O-N 3.15Å; L259-L356 HydrophobicContact CD2-CD2 4.26Å; L259-L356 HydrophobicContact CG-CD2 4.49Å; L259-F362 HydrophobicContact CD1-CE2 4.01Å; L259-F362 HydrophobicContact CD1-CZ 3.91Å; L259-F362 HydrophobicContact CD2-CZ 4.2Å; L259-F362 HydrophobicContact CG-CZ 4.44Å; L259-V375 HydrophobicContact CD1-CG1 3.86Å; L259-V375 HydrophobicContact CD2-CG1 3.74Å; L259-V375 HydrophobicContact CG-CG1 4.45Å; L259-L376 HydrophobicContact CD2-CD2 3.3Å; L259-L376 HydrophobicContact CD2-CG 4.26Å
260H94.2Very high92.7Very high0 Ų021 Ų210%010%0.101CC..Hα-helixtrans-58.7-47.5174.9171.5-116.5000111.5A234 Y238 Y256 H257 N262 I263 A264 G272 A276 T555A234-H260 PolarHBondContact O-CD2 3.01Å; A234-H260 VanDerWaalsContact O-CD2 3.29Å; Y238-H260 AromaticContact CD2-CE1 3.49Å; Y238-H260 VanDerWaalsContact CD2-CE1 3.49Å; Y238-H260 WeakPolarHBondContact CD2-CE1 3.49Å; Y238-H260 AromaticContact CD2-ND1 3.54Å; Y238-H260 AromaticContact CD2-NE2 3.99Å; Y256-H260 PolarHBondContact O-N 3.14Å; H257-H260 PolarHBondContact O-N 2.89Å; H260-N262 VanDerWaalsContact C-N 3.33Å; H260-N262 PolarHBondContact O-N 2.86Å; H260-I263 PolarHBondContact O-N 3.41Å; H260-A264 WeakPolarHBondContact O-CB 3.45Å; H260-A264 PolarHBondContact O-N 3.22Å; H260-G272 PolarHBondContact CE1-O 3.04Å; H260-G272 VanDerWaalsContact CE1-O 3.25Å; H260-A276 WeakPolarHBondContact ND1-CB 3.5Å; H260-T555 PolarHBondContact NE2-O 3.43Å; H260-T555 VanDerWaalsContact NE2-O 3.16Å; H260-T555 PolarHBondContact NE2-OG1 3.32Å; H260-T555 VanDerWaalsContact NE2-OG1 3.17Å
261L93.8Very high92.5Very high0 Ų022 Ų220%011%0.108CC..Hα-helixtrans-58.7-42.6176.518057.9000112.5H257 L258 I263 A264 R265 Q273 A276 L280 F296 L299 I349H257-L261 WeakPolarHBondContact O-CB 3.48Å; H257-L261 PolarHBondContact O-N 3.19Å; L258-L261 PolarHBondContact O-N 2.67Å; L261-I263 VanDerWaalsContact C-N 3.34Å; L261-I263 PolarHBondContact O-N 3.09Å; L261-A264 PolarHBondContact O-N 2.8Å; L261-R265 HydrophobicContact CD1-CG 4.36Å; L261-R265 WeakPolarHBondContact O-CG 3.37Å; L261-R265 PolarHBondContact O-N 2.84Å; L261-Q273 HydrophobicContact CD1-CB 3.96Å; L261-Q273 HydrophobicContact CD1-CG 3.93Å; L261-A276 HydrophobicContact CB-CB 3.72Å; L261-A276 HydrophobicContact CD1-CB 4.02Å; L261-A276 HydrophobicContact CG-CB 4.38Å; L261-L280 HydrophobicContact CB-CD1 4.28Å; L261-L280 HydrophobicContact CD2-CD1 3.65Å; L261-F296 HydrophobicContact CD2-CD1 4.43Å; L261-F296 HydrophobicContact CD2-CE1 3.72Å; L261-L299 HydrophobicContact CD2-CD2 4.49Å; L261-I349 HydrophobicContact CD2-CD1 3.54Å; L261-I349 HydrophobicContact CD2-CG1 4.08Å; L261-I349 HydrophobicContact CG-CD1 4.38Å
262N92.1Very high92.4Very high4 Ų419 Ų192%0.0219%0.094CC..Hα-helixtrans-61-44.3179.5-169.749.6000111.5L258 L259 H260 S266 L353 Y378L258-N262 PolarHBondContact O-N 2.91Å; L259-N262 PolarHBondContact O-N 3.39Å; H260-N262 VanDerWaalsContact C-N 3.33Å; H260-N262 PolarHBondContact O-N 2.86Å; N262-S266 PolarHBondContact O-N 3.14Å; N262-S266 VanDerWaalsContact O-N 3.16Å; N262-L353 HydrophobicContact CB-CD1 4.3Å; N262-L353 HydrophobicContact CB-CD2 4.12Å; N262-L353 WeakPolarHBondContact OD1-CD1 3.36Å; N262-Y378 PolarHBondContact ND2-O 3.39Å
263I91.3Very high92.4Very high2 Ų219.3 Ų19.31%0.0110%0.095CC..Hα-helixtrans-69.7-45.7176.8-63176000111V230 E233 A234 Y237 L259 H260 L261 R265 S266 L267 Y378V230-I263 HydrophobicContact CG1-CG2 3.46Å; V230-I263 VanDerWaalsContact CG1-CG2 3.46Å; E233-I263 HydrophobicContact CB-CD1 4.34Å; E233-I263 HydrophobicContact CG-CD1 4.11Å; A234-I263 HydrophobicContact CB-CB 3.81Å; A234-I263 HydrophobicContact CB-CD1 4.15Å; A234-I263 HydrophobicContact CB-CG2 3.59Å; Y237-I263 HydrophobicContact CD2-CD1 3.91Å; Y237-I263 HydrophobicContact CE2-CD1 3.77Å; L259-I263 PolarHBondContact O-N 2.86Å; L259-I263 VanDerWaalsContact O-N 3.15Å; H260-I263 PolarHBondContact O-N 3.41Å; L261-I263 VanDerWaalsContact C-N 3.34Å; L261-I263 PolarHBondContact O-N 3.09Å; I263-R265 PolarHBondContact O-N 2.8Å; I263-S266 WeakPolarHBondContact CA-OG 3.38Å; I263-S266 WeakPolarHBondContact O-CA 3.31Å; I263-S266 PolarHBondContact O-N 2.93Å; I263-S266 PolarHBondContact O-OG 2.98Å; I263-L267 HydrophobicContact CG2-CD1 3.67Å; I263-L267 HydrophobicContact CG2-CG 4Å; I263-L267 WeakPolarHBondContact O-CG 3.16Å; I263-L267 PolarHBondContact O-N 3.13Å; I263-Y378 HydrophobicContact CD1-CD2 4Å; I263-Y378 HydrophobicContact CD1-CE2 3.7Å; I263-Y378 HydrophobicContact CG1-CD2 3.7Å; I263-Y378 HydrophobicContact CG1-CE2 3.93Å; I263-Y378 HydrophobicContact CG1-CG 4.21Å
264A92.5Very high92.3Very high0 Ų019.3 Ų19.30%010%0.095CC..Hα-helixtrans-54.6-38.9178.400000112H260 L261 L267 K268 D269 Q273 T555H260-A264 WeakPolarHBondContact O-CB 3.45Å; H260-A264 PolarHBondContact O-N 3.22Å; L261-A264 PolarHBondContact O-N 2.8Å; A264-L267 CarbonylContact O-C 3.57Å; A264-L267 PolarHBondContact O-N 2.92Å; A264-K268 PolarHBondContact O-N 2.74Å; A264-D269 HydrophobicContact CB-CB 4.46Å; A264-D269 PolarHBondContact O-N 2.83Å; A264-Q273 HydrophobicContact CB-CG 3.87Å; A264-T555 HydrophobicContact CB-CG2 4.25Å
265R90.7Very high92.2Very high6 Ų619.4 Ų19.42%0.0239%0.094CC..Hα-helixtrans-63.9-48171.4-80.6179.4166.2-155-8.6113.6L261 I263 L267 K268 Q273 E346 F380L261-R265 HydrophobicContact CD1-CG 4.36Å; L261-R265 WeakPolarHBondContact O-CG 3.37Å; L261-R265 PolarHBondContact O-N 2.84Å; I263-R265 PolarHBondContact O-N 2.8Å; R265-L267 PolarHBondContact O-N 3.2Å; R265-K268 PolarHBondContact O-N 2.97Å; R265-Q273 VanDerWaalsContact CG-CD 3.46Å; R265-Q273 HydrophobicContact CG-CG 3.83Å; R265-E346 IonicContact CZ-OE1 3.02Å; R265-E346 IonicContact CZ-OE2 2.73Å; R265-E346 IonicContact NH1-OE1 2.99Å; R265-E346 IonicContact NH1-OE2 3.99Å; R265-E346 PolarHBondContact NH1-OE2 2.65Å; R265-E346 VanDerWaalsContact NH2-CD 3.27Å; R265-E346 IonicContact NH2-OE1 3.98Å; R265-E346 PolarHBondContact NH2-OE1 3.49Å; R265-E346 IonicContact NH2-OE2 2.75Å; R265-E346 PolarHBondContact NH2-OE2 3.39Å; R265-F380 VanDerWaalsContact NH1-CZ 3.33Å
266S90.2Very high92.1Very high34 Ų3419.1 Ų19.124%0.2389%0.092CC..Hα-helixtrans-59.5-30.4178.675.10000112.8N262 I263N262-S266 PolarHBondContact O-N 3.14Å; N262-S266 VanDerWaalsContact O-N 3.16Å; I263-S266 WeakPolarHBondContact CA-OG 3.38Å; I263-S266 WeakPolarHBondContact O-CA 3.31Å; I263-S266 PolarHBondContact O-N 2.93Å; I263-S266 PolarHBondContact O-OG 2.98Å
267L89.5Confident92.1Very high32 Ų3218.7 Ų18.717%0.1689%0.091CC..THydrogen-bonded Turntrans-93.90.1177.8-56.2179000113.3V230 A231 I263 A264 R265 D269 L392 V554 T555V230-L267 HydrophobicContact CG1-CD1 4.24Å; V230-L267 HydrophobicContact CG1-CD2 4.09Å; V230-L267 HydrophobicContact CG1-CG 4.43Å; A231-L267 HydrophobicContact CB-CD1 3.94Å; I263-L267 HydrophobicContact CG2-CD1 3.67Å; I263-L267 HydrophobicContact CG2-CG 4Å; I263-L267 WeakPolarHBondContact O-CG 3.16Å; I263-L267 PolarHBondContact O-N 3.13Å; A264-L267 CarbonylContact O-C 3.57Å; A264-L267 PolarHBondContact O-N 2.92Å; R265-L267 PolarHBondContact O-N 3.2Å; L267-D269 PolarHBondContact O-N 3.1Å; L267-L392 HydrophobicContact CB-CD1 4.45Å; L267-L392 HydrophobicContact CD2-CD1 3.62Å; L267-V554 HydrophobicContact CD1-CG2 4.26Å; L267-T555 HydrophobicContact CD1-CG2 3.64Å
268K91.1Very high91.9Very high107 Ų10718.8 Ų18.847%0.4659%0.091SC..THydrogen-bonded Turntrans54.431.5-175.2-52.3-175.8-176.5-169.10113.8A264 R265 E270 V385 E387A264-K268 PolarHBondContact O-N 2.74Å; R265-K268 PolarHBondContact O-N 2.97Å; K268-E270 PolarHBondContact O-N 3.05Å; K268-E270 VanDerWaalsContact O-N 3.17Å; K268-V385 PolarHBondContact NZ-O 3.36Å; K268-E387 PolarHBondContact NZ-O 2.99Å
269D91.3Very high91.9Very high11 Ų1118.7 Ų18.76%0.0599%0.091CC..  trans-81.990.4175.4-179.71.8000109.5A264 L267 L271 G272 Q273 C553 V554 T555A264-D269 HydrophobicContact CB-CB 4.46Å; A264-D269 PolarHBondContact O-N 2.83Å; L267-D269 PolarHBondContact O-N 3.1Å; D269-L271 VanDerWaalsContact C-N 3.34Å; D269-L271 PolarHBondContact O-N 3.35Å; D269-L271 PolarHBondContact OD1-N 3.16Å; D269-G272 PolarHBondContact O-N 3.46Å; D269-G272 PolarHBondContact OD1-N 2.99Å; D269-Q273 VanDerWaalsContact O-CG 3.29Å; D269-Q273 WeakPolarHBondContact O-CG 3.48Å; D269-Q273 PolarHBondContact O-N 2.76Å; D269-Q273 PolarHBondContact O-NE2 2.9Å; D269-C553 PolarHBondContact OD1-SG 3.12Å; D269-C553 VanDerWaalsContact OD1-SG 3.36Å; D269-C553 PolarHBondContact OD2-SG 3.07Å; D269-C553 VanDerWaalsContact OD2-SG 3.35Å; D269-V554 HydrophobicContact CB-CG2 4.34Å; D269-V554 PolarHBondContact OD2-N 3.42Å; D269-T555 HydrophobicContact CB-CG2 4.12Å; D269-T555 WeakPolarHBondContact OD2-CA 3.17Å; D269-T555 VanDerWaalsContact OD2-CB 3.25Å; D269-T555 WeakPolarHBondContact OD2-CB 3.34Å; D269-T555 WeakPolarHBondContact OD2-CG2 3.18Å; D269-T555 PolarHBondContact OD2-N 3.01Å; D269-T555 PolarHBondContact OD2-OG1 2.94Å
270E92.8Very high91.8Very high91 Ų9118.7 Ų18.743%0.4259%0.091SC..Hα-helixtrans-60.8-39.6-177.8-68.4-179.5171.900112.8K268 Q273 E274 L303 L307K268-E270 PolarHBondContact O-N 3.05Å; K268-E270 VanDerWaalsContact O-N 3.17Å; E270-Q273 WeakPolarHBondContact O-CB 3.37Å; E270-Q273 PolarHBondContact O-N 3.07Å; E270-E274 PolarHBondContact O-N 3.32Å; E270-L303 HydrophobicContact CB-CD2 4.38Å; E270-L307 HydrophobicContact CB-CD2 4.01Å
271L90.3Very high91.7Very high54 Ų5418.7 Ų18.728%0.2839%0.091SC..Hα-helixtrans-67.4-42.5177.5-171.767.2000110.5D269 Q273 E274 R275 L307 C553 I556D269-L271 VanDerWaalsContact C-N 3.34Å; D269-L271 PolarHBondContact O-N 3.35Å; D269-L271 PolarHBondContact OD1-N 3.16Å; L271-Q273 VanDerWaalsContact C-N 3.29Å; L271-Q273 PolarHBondContact O-N 2.94Å; L271-E274 PolarHBondContact O-N 3.44Å; L271-R275 WeakPolarHBondContact O-CG 3.33Å; L271-R275 PolarHBondContact O-N 2.92Å; L271-L307 HydrophobicContact CB-CD1 4.28Å; L271-L307 HydrophobicContact CD1-CD1 3.88Å; L271-C553 HydrophobicContact CB-CB 4.25Å; L271-C553 HydrophobicContact CD2-CB 3.73Å; L271-C553 HydrophobicContact CG-CB 4.5Å; L271-I556 HydrophobicContact CB-CD1 4.34Å; L271-I556 HydrophobicContact CD2-CD1 4.03Å; L271-I556 HydrophobicContact CG-CD1 3.71Å
272G91.2Very high91.5Very high0 Ų019 Ų190%09%0.093CC..Hα-helixtrans-56.3-42.9172.100000112.8H260 D269 A276 T555H260-G272 PolarHBondContact CE1-O 3.04Å; H260-G272 VanDerWaalsContact CE1-O 3.25Å; D269-G272 PolarHBondContact O-N 3.46Å; D269-G272 PolarHBondContact OD1-N 2.99Å; G272-A276 WeakPolarHBondContact O-CB 3.46Å; G272-A276 PolarHBondContact O-N 3.3Å; G272-T555 WeakPolarHBondContact CA-OG1 3.34Å
273Q93.4Very high91.5Very high13 Ų1319 Ų196%0.0619%0.092CC..Hα-helixtrans-64.4-42.6175.8-68.9176.167.500112.5L261 A264 R265 D269 E270 L271 A276 A277 L303L261-Q273 HydrophobicContact CD1-CB 3.96Å; L261-Q273 HydrophobicContact CD1-CG 3.93Å; A264-Q273 HydrophobicContact CB-CG 3.87Å; R265-Q273 VanDerWaalsContact CG-CD 3.46Å; R265-Q273 HydrophobicContact CG-CG 3.83Å; D269-Q273 VanDerWaalsContact O-CG 3.29Å; D269-Q273 WeakPolarHBondContact O-CG 3.48Å; D269-Q273 PolarHBondContact O-N 2.76Å; D269-Q273 PolarHBondContact O-NE2 2.9Å; E270-Q273 WeakPolarHBondContact O-CB 3.37Å; E270-Q273 PolarHBondContact O-N 3.07Å; L271-Q273 VanDerWaalsContact C-N 3.29Å; L271-Q273 PolarHBondContact O-N 2.94Å; Q273-A276 PolarHBondContact O-N 3.22Å; Q273-A277 WeakPolarHBondContact O-CB 3.45Å; Q273-A277 PolarHBondContact O-N 3.27Å; Q273-L303 HydrophobicContact CB-CD1 3.62Å
274E90.9Very high91.5Very high0 Ų018.9 Ų18.90%09%0.092CC..Hα-helixtrans-60.6-48.1178.2-173.9-80.9144.300110.6E270 L271 A276 A277 W278 Q300 L303 S304 L307E270-E274 PolarHBondContact O-N 3.32Å; L271-E274 PolarHBondContact O-N 3.44Å; E274-A276 VanDerWaalsContact C-N 3.33Å; E274-A276 PolarHBondContact O-N 3.41Å; E274-A277 PolarHBondContact O-N 2.93Å; E274-W278 PolarHBondContact O-N 2.86Å; E274-Q300 HydrophobicContact CG-CG 3.98Å; E274-Q300 WeakPolarHBondContact OE1-CG 3.46Å; E274-Q300 PolarHBondContact OE1-NE2 3.24Å; E274-L303 HydrophobicContact CB-CB 3.83Å; E274-L303 HydrophobicContact CB-CD1 4.21Å; E274-L303 HydrophobicContact CG-CB 4.1Å; E274-S304 WeakPolarHBondContact CG-OG 3.21Å; E274-S304 PolarHBondContact OE1-OG 3.32Å; E274-L307 HydrophobicContact CB-CD1 4.12Å
275R91Very high91.3Very high33 Ų3320.8 Ų20.813%0.12510%0.102CC..Hα-helixtrans-64.6-36.4178.1-63.5-51-175.1-1473.4113Y238 L271 S279 D309 I556 F562Y238-R275 HydrophobicContact CE2-CB 4.11Å; L271-R275 WeakPolarHBondContact O-CG 3.33Å; L271-R275 PolarHBondContact O-N 2.92Å; R275-S279 WeakPolarHBondContact O-CB 3.31Å; R275-S279 PolarHBondContact O-N 3.2Å; R275-S279 PolarHBondContact O-OG 3.28Å; R275-D309 IonicContact CZ-OD2 3.41Å; R275-D309 IonicContact NH1-OD2 2.71Å; R275-D309 PolarHBondContact NH1-OD2 2.58Å; R275-D309 IonicContact NH2-OD2 2.84Å; R275-I556 HydrophobicContact CB-CD1 4.07Å; R275-I556 HydrophobicContact CG-CD1 3.35Å; R275-I556 HydrophobicContact CG-CG1 4.28Å; R275-F562 HydrophobicContact CB-CE2 4.29Å; R275-F562 HydrophobicContact CG-CE2 3.71Å; R275-F562 HydrophobicContact CG-CZ 4.16Å
276A92.8Very high91.2Very high0 Ų023.2 Ų23.20%011%0.113CC..Hα-helixtrans-67.6-42.917600000111.2H260 L261 G272 Q273 E274 S279 L280H260-A276 WeakPolarHBondContact ND1-CB 3.5Å; L261-A276 HydrophobicContact CB-CB 3.72Å; L261-A276 HydrophobicContact CD1-CB 4.02Å; L261-A276 HydrophobicContact CG-CB 4.38Å; G272-A276 WeakPolarHBondContact O-CB 3.46Å; G272-A276 PolarHBondContact O-N 3.3Å; Q273-A276 PolarHBondContact O-N 3.22Å; E274-A276 VanDerWaalsContact C-N 3.33Å; E274-A276 PolarHBondContact O-N 3.41Å; A276-S279 PolarHBondContact O-N 2.94Å; A276-L280 WeakPolarHBondContact O-CB 3.5Å; A276-L280 WeakPolarHBondContact O-CD1 3.37Å; A276-L280 VanDerWaalsContact O-CG 3.28Å; A276-L280 WeakPolarHBondContact O-CG 3.41Å; A276-L280 PolarHBondContact O-N 3.13Å
277A93.3Very high91.3Very high0 Ų024.1 Ų24.10%012%0.115CC..Hα-helixtrans-61.8-45.5177.600000111.5Q273 E274 S279 L280 S281 F296 L299 Q300Q273-A277 WeakPolarHBondContact O-CB 3.45Å; Q273-A277 PolarHBondContact O-N 3.27Å; E274-A277 PolarHBondContact O-N 2.93Å; A277-S279 PolarHBondContact O-N 3.04Å; A277-L280 PolarHBondContact O-N 3.4Å; A277-S281 WeakPolarHBondContact O-CB 3.42Å; A277-S281 PolarHBondContact O-N 3.47Å; A277-F296 HydrophobicContact CB-CD1 4.48Å; A277-L299 HydrophobicContact CB-CB 4.16Å; A277-L299 HydrophobicContact CB-CD2 3.9Å; A277-L299 HydrophobicContact CB-CG 3.94Å; A277-Q300 HydrophobicContact CB-CB 4.04Å
278W90.8Very high91.2Very high2 Ų225.2 Ų25.21%0.00813%0.134CC..Hα-helixtrans-57.2-49.6172.8177.875.8000112.1E274 L280 S281 N282 Q300 W566 Q569 L573E274-W278 PolarHBondContact O-N 2.86Å; W278-L280 VanDerWaalsContact C-N 3.34Å; W278-L280 PolarHBondContact O-N 3.05Å; W278-S281 PolarHBondContact O-N 3.45Å; W278-N282 WeakPolarHBondContact CZ2-ND2 3.25Å; W278-N282 PolarHBondContact NE1-ND2 3.39Å; W278-N282 PolarHBondContact O-N 2.83Å; W278-N282 VanDerWaalsContact O-N 3.08Å; W278-N282 PolarHBondContact O-ND2 3.41Å; W278-Q300 HydrophobicContact CB-CG 4.02Å; W278-Q300 VanDerWaalsContact CD1-NE2 3.29Å; W278-W566 HydrophobicContact CB-CZ3 4.45Å; W278-W566 AromaticContact CD1-CH2 3.87Å; W278-W566 AromaticContact CD2-CE3 3.88Å; W278-W566 HydrophobicContact CD2-CE3 3.88Å; W278-W566 AromaticContact CD2-CH2 3.71Å; W278-W566 HydrophobicContact CD2-CH2 3.71Å; W278-W566 AromaticContact CD2-CZ3 3.18Å; W278-W566 HydrophobicContact CD2-CZ3 3.18Å; W278-W566 AromaticContact CE2-CE3 3.84Å; W278-W566 AromaticContact CE2-CH2 3.51Å; W278-W566 AromaticContact CE2-CZ3 3.32Å; W278-W566 AromaticContact CE3-CE3 3.69Å; W278-W566 HydrophobicContact CE3-CE3 3.69Å; W278-W566 HydrophobicContact CE3-CH2 4.34Å; W278-W566 AromaticContact CE3-CZ3 3.38Å; W278-W566 HydrophobicContact CE3-CZ3 3.38Å; W278-W566 AromaticContact CG-CH2 3.89Å; W278-W566 HydrophobicContact CG-CH2 3.89Å; W278-W566 AromaticContact CG-CZ3 3.7Å; W278-W566 HydrophobicContact CG-CZ3 3.7Å; W278-W566 AromaticContact CH2-CD2 3.93Å; W278-W566 HydrophobicContact CH2-CD2 3.93Å; W278-W566 AromaticContact CH2-CE3 3.4Å; W278-W566 HydrophobicContact CH2-CE3 3.4Å; W278-W566 AromaticContact CH2-CZ3 3.78Å; W278-W566 HydrophobicContact CH2-CZ3 3.78Å; W278-W566 HydrophobicContact CZ2-CD2 4.01Å; W278-W566 AromaticContact CZ2-CE3 3.63Å; W278-W566 HydrophobicContact CZ2-CE3 3.63Å; W278-W566 AromaticContact CZ2-CH2 3.98Å; W278-W566 HydrophobicContact CZ2-CH2 3.98Å; W278-W566 HydrophobicContact CZ2-CZ2 4.3Å; W278-W566 AromaticContact CZ2-CZ3 3.64Å; W278-W566 HydrophobicContact CZ2-CZ3 3.64Å; W278-W566 HydrophobicContact CZ3-CD2 4.4Å; W278-W566 AromaticContact CZ3-CE3 3.45Å; W278-W566 HydrophobicContact CZ3-CE3 3.45Å; W278-W566 VanDerWaalsContact CZ3-CE3 3.45Å; W278-W566 AromaticContact CZ3-CZ3 3.67Å; W278-W566 HydrophobicContact CZ3-CZ3 3.67Å; W278-W566 AromaticContact NE1-CH2 3.64Å; W278-W566 AromaticContact NE1-CZ3 3.92Å; W278-Q569 HydrophobicContact CH2-CB 3.72Å; W278-Q569 HydrophobicContact CH2-CG 4.45Å; W278-Q569 HydrophobicContact CZ2-CB 4.3Å; W278-L573 HydrophobicContact CZ2-CD1 4.33Å
279S92.2Very high91.1Very high2 Ų222.9 Ų22.91%0.01413%0.125CC..Hα-helixtrans-64.2-38.6-178.5-530000112.1R275 A276 A277 A283R275-S279 WeakPolarHBondContact O-CB 3.31Å; R275-S279 PolarHBondContact O-N 3.2Å; R275-S279 PolarHBondContact O-OG 3.28Å; A276-S279 PolarHBondContact O-N 2.94Å; A277-S279 PolarHBondContact O-N 3.04Å; S279-A283 WeakPolarHBondContact O-CB 3.44Å; S279-A283 PolarHBondContact O-N 2.97Å
280L93.3Very high90.9Very high1 Ų123.4 Ų23.41%0.00513%0.129CC..Hα-helixtrans-67-42.5175.9-77.1162.9000112M254 H257 L258 L261 A276 A277 W278 A283 L284 F296M254-L280 HydrophobicContact CG-CD2 3.87Å; M254-L280 WeakPolarHBondContact O-CD2 3.38Å; H257-L280 HydrophobicContact CB-CD2 3.85Å; H257-L280 HydrophobicContact CB-CG 3.78Å; L258-L280 HydrophobicContact CB-CD2 4.29Å; L258-L280 HydrophobicContact CD1-CD1 4.42Å; L261-L280 HydrophobicContact CB-CD1 4.28Å; L261-L280 HydrophobicContact CD2-CD1 3.65Å; A276-L280 WeakPolarHBondContact O-CB 3.5Å; A276-L280 WeakPolarHBondContact O-CD1 3.37Å; A276-L280 VanDerWaalsContact O-CG 3.28Å; A276-L280 WeakPolarHBondContact O-CG 3.41Å; A276-L280 PolarHBondContact O-N 3.13Å; A277-L280 PolarHBondContact O-N 3.4Å; W278-L280 VanDerWaalsContact C-N 3.34Å; W278-L280 PolarHBondContact O-N 3.05Å; L280-A283 PolarHBondContact O-N 3.32Å; L280-L284 VanDerWaalsContact O-CB 3.31Å; L280-L284 WeakPolarHBondContact O-CB 3.44Å; L280-L284 WeakPolarHBondContact O-CD1 3.41Å; L280-L284 VanDerWaalsContact O-CG 3.24Å; L280-L284 WeakPolarHBondContact O-CG 3.33Å; L280-L284 PolarHBondContact O-N 3.22Å; L280-F296 HydrophobicContact CB-CB 4.29Å; L280-F296 HydrophobicContact CB-CD1 3.89Å; L280-F296 HydrophobicContact CB-CD2 4.03Å; L280-F296 HydrophobicContact CB-CE1 4.22Å; L280-F296 HydrophobicContact CB-CE2 4.32Å; L280-F296 HydrophobicContact CB-CG 3.79Å; L280-F296 HydrophobicContact CB-CZ 4.4Å; L280-F296 HydrophobicContact CD1-CD1 3.82Å; L280-F296 HydrophobicContact CD1-CE1 3.46Å; L280-F296 VanDerWaalsContact CD1-CE1 3.46Å; L280-F296 HydrophobicContact CD1-CZ 3.87Å; L280-F296 HydrophobicContact CG-CD1 4.49Å; L280-F296 HydrophobicContact CG-CE1 4.39Å
281S91.8Very high90.6Very high0 Ų028.1 Ų28.10%014%0.143CC..Hα-helixtrans-56.6-51174.7179.40000110.8A277 W278 A283 L284 I285 A293 T297A277-S281 WeakPolarHBondContact O-CB 3.42Å; A277-S281 PolarHBondContact O-N 3.47Å; W278-S281 PolarHBondContact O-N 3.45Å; S281-A283 PolarHBondContact O-N 2.6Å; S281-L284 PolarHBondContact O-N 3.06Å; S281-I285 WeakPolarHBondContact O-CG1 3.36Å; S281-I285 PolarHBondContact O-N 3.25Å; S281-A293 PolarHBondContact OG-O 3.37Å; S281-T297 PolarHBondContact OG-OG1 2.99Å
282N88.9Confident90.5Very high8 Ų829 Ų294%0.04314%0.144CC..Hα-helixtrans-60.3-46.2178.7-67-20.5000112.4W278 L284 I285 H286W278-N282 WeakPolarHBondContact CZ2-ND2 3.25Å; W278-N282 PolarHBondContact NE1-ND2 3.39Å; W278-N282 PolarHBondContact O-N 2.83Å; W278-N282 VanDerWaalsContact O-N 3.08Å; W278-N282 PolarHBondContact O-ND2 3.41Å; N282-L284 VanDerWaalsContact C-N 3.31Å; N282-L284 PolarHBondContact O-N 3.26Å; N282-I285 PolarHBondContact O-N 3.29Å; N282-H286 PolarHBondContact O-CD2 3.39Å; N282-H286 PolarHBondContact O-N 3.08Å
283A91.7Very high90.5Very high2 Ų229 Ų292%0.01714%0.144CC..Hα-helixtrans-62-39.1177.600000112.1M254 S279 L280 S281 H286 L287M254-A283 HydrophobicContact CB-CB 4.29Å; S279-A283 WeakPolarHBondContact O-CB 3.44Å; S279-A283 PolarHBondContact O-N 2.97Å; L280-A283 PolarHBondContact O-N 3.32Å; S281-A283 PolarHBondContact O-N 2.6Å; A283-H286 PolarHBondContact O-N 3.47Å; A283-L287 VanDerWaalsContact O-CG 3.31Å; A283-L287 WeakPolarHBondContact O-CG 3.4Å; A283-L287 PolarHBondContact O-N 3.01Å
284L91.7Very high90.2Very high0 Ų029.1 Ų29.10%015%0.145CC..Hα-helixtrans-72.6-33.3-180-74.7163.8000113.2M254 L280 S281 N282 H286 L287 G288 Q289 K292 A293 F296M254-L284 HydrophobicContact CG-CD2 4.4Å; M254-L284 HydrophobicContact SD-CD2 3.73Å; M254-L284 HydrophobicContact SD-CG 4.47Å; L280-L284 VanDerWaalsContact O-CB 3.31Å; L280-L284 WeakPolarHBondContact O-CB 3.44Å; L280-L284 WeakPolarHBondContact O-CD1 3.41Å; L280-L284 VanDerWaalsContact O-CG 3.24Å; L280-L284 WeakPolarHBondContact O-CG 3.33Å; L280-L284 PolarHBondContact O-N 3.22Å; S281-L284 PolarHBondContact O-N 3.06Å; N282-L284 VanDerWaalsContact C-N 3.31Å; N282-L284 PolarHBondContact O-N 3.26Å; L284-H286 VanDerWaalsContact C-N 3.32Å; L284-L287 PolarHBondContact O-N 3.25Å; L284-G288 PolarHBondContact O-N 3.34Å; L284-Q289 HydrophobicContact CB-CB 4.46Å; L284-Q289 HydrophobicContact CD2-CB 3.97Å; L284-Q289 PolarHBondContact O-N 3.01Å; L284-K292 HydrophobicContact CD1-CB 3.83Å; L284-K292 HydrophobicContact CD2-CB 4.1Å; L284-K292 HydrophobicContact CD2-CD 4.24Å; L284-K292 HydrophobicContact CG-CB 4.48Å; L284-A293 HydrophobicContact CB-CB 3.8Å; L284-F296 HydrophobicContact CD1-CD2 3.32Å; L284-F296 HydrophobicContact CD1-CE2 3.55Å; L284-F296 HydrophobicContact CD1-CG 4.46Å
285I89.4Confident90.1Very high41 Ų4130.6 Ų30.621%0.2115%0.152CC..Hα-helixtrans-56.9-49.4168.7-72.1163.5000109.3S281 N282 L287 G288 A293 L323S281-I285 WeakPolarHBondContact O-CG1 3.36Å; S281-I285 PolarHBondContact O-N 3.25Å; N282-I285 PolarHBondContact O-N 3.29Å; I285-L287 VanDerWaalsContact C-N 3.27Å; I285-L287 PolarHBondContact O-N 3.36Å; I285-G288 PolarHBondContact O-N 3.17Å; I285-A293 HydrophobicContact CG1-CB 3.79Å; I285-L323 HydrophobicContact CD1-CD1 4.41Å; I285-L323 HydrophobicContact CD1-CD2 4.2Å; I285-L323 HydrophobicContact CD1-CG 4.36Å; I285-L323 HydrophobicContact CG1-CD2 3.75Å; I285-L323 HydrophobicContact CG1-CG 4.45Å
286H88.8Confident90.2Very high56 Ų5629 Ų2926%0.25915%0.146SC..Hα-helixtrans-66.8-25.4178.6-68.7-37.4000114.9Y250 N282 A283 L284 G288 Q576Y250-H286 HydrophobicContact CD1-CB 3.71Å; Y250-H286 AromaticContact CD1-CD2 3.66Å; Y250-H286 AromaticContact CD1-CG 3.94Å; Y250-H286 HydrophobicContact CD2-CB 3.41Å; Y250-H286 VanDerWaalsContact CD2-CB 3.41Å; Y250-H286 HydrophobicContact CE1-CB 3.85Å; Y250-H286 AromaticContact CE1-CD2 3.19Å; Y250-H286 WeakPolarHBondContact CE1-CD2 3.5Å; Y250-H286 AromaticContact CE1-CG 3.6Å; Y250-H286 HydrophobicContact CE2-CB 3.53Å; Y250-H286 AromaticContact CE2-CG 3.79Å; Y250-H286 HydrophobicContact CG-CB 3.47Å; Y250-H286 VanDerWaalsContact CG-CB 3.47Å; Y250-H286 AromaticContact CZ-CD2 3.49Å; Y250-H286 VanDerWaalsContact CZ-CD2 3.49Å; Y250-H286 AromaticContact CZ-CG 3.49Å; Y250-H286 VanDerWaalsContact CZ-CG 3.49Å; N282-H286 PolarHBondContact O-CD2 3.39Å; N282-H286 PolarHBondContact O-N 3.08Å; A283-H286 PolarHBondContact O-N 3.47Å; L284-H286 VanDerWaalsContact C-N 3.32Å; H286-G288 PolarHBondContact O-N 3.46Å; H286-Q576 VanDerWaalsContact CE1-CD 3.42Å; H286-Q576 PolarHBondContact CE1-NE2 3.43Å; H286-Q576 PolarHBondContact CE1-OE1 3.3Å
287L91.2Very high90.1Very high54 Ų5429.1 Ų29.128%0.28315%0.147SC..THydrogen-bonded Turntrans-82.42.9173.7-69.7170.7000113.3E251 M254 A283 L284 I285 Q289E251-L287 HydrophobicContact CB-CD2 4.36Å; M254-L287 HydrophobicContact CB-CD1 4.23Å; M254-L287 HydrophobicContact SD-CD1 4.06Å; A283-L287 VanDerWaalsContact O-CG 3.31Å; A283-L287 WeakPolarHBondContact O-CG 3.4Å; A283-L287 PolarHBondContact O-N 3.01Å; L284-L287 PolarHBondContact O-N 3.25Å; I285-L287 VanDerWaalsContact C-N 3.27Å; I285-L287 PolarHBondContact O-N 3.36Å; L287-Q289 VanDerWaalsContact C-N 3.32Å; L287-Q289 HydrophobicContact CB-CG 4.44Å; L287-Q289 PolarHBondContact O-N 3.44Å
288G88.4Confident89.9Confident55 Ų5530.6 Ų30.657%0.56715%0.154SC*.THydrogen-bonded Turntrans6634.2-177.600000112.7L284 I285 H286 P290L284-G288 PolarHBondContact O-N 3.34Å; I285-G288 PolarHBondContact O-N 3.17Å; H286-G288 PolarHBondContact O-N 3.46Å; G288-P290 VanDerWaalsContact O-CD 3.25Å; G288-P290 WeakPolarHBondContact O-CD 3.08Å
289Q88.9Confident89.9Confident58 Ų5830.9 Ų30.927%0.27116%0.156SC..  trans-116.859.3180-67.2178.56600111.5L284 L287 R291 K292 A293L284-Q289 HydrophobicContact CB-CB 4.46Å; L284-Q289 HydrophobicContact CD2-CB 3.97Å; L284-Q289 PolarHBondContact O-N 3.01Å; L287-Q289 VanDerWaalsContact C-N 3.32Å; L287-Q289 HydrophobicContact CB-CG 4.44Å; L287-Q289 PolarHBondContact O-N 3.44Å; Q289-R291 VanDerWaalsContact C-N 3.29Å; Q289-R291 PolarHBondContact O-N 2.57Å; Q289-K292 HydrophobicContact CB-CB 4.46Å; Q289-K292 PolarHBondContact O-N 3.33Å; Q289-K292 VanDerWaalsContact O-N 3.08Å; Q289-A293 PolarHBondContact O-N 3.02Å
290P86.2Confident89.9Confident21 Ų2130.8 Ų30.814%0.13616%0.155CC..Hα-helixtrans-60.9-34.2-171.323.9-34.7000113.1G288 K292 A293 L294 L323 L327G288-P290 VanDerWaalsContact O-CD 3.25Å; G288-P290 WeakPolarHBondContact O-CD 3.08Å; P290-K292 PolarHBondContact O-N 3.33Å; P290-A293 PolarHBondContact O-N 3.08Å; P290-L294 WeakPolarHBondContact O-CB 3.38Å; P290-L294 PolarHBondContact O-N 3.19Å; P290-L323 HydrophobicContact CB-CD2 3.71Å; P290-L327 HydrophobicContact CB-CD2 4.11Å; P290-L327 HydrophobicContact CB-CG 4.29Å; P290-L327 HydrophobicContact CG-CD2 3.88Å
291R86.5Confident89.8Confident191 Ų19132.8 Ų32.872%0.72116%0.163SC*.Hα-helixtrans-60.3-44.1175.6-68.1-171.7179.6176.90.1112.6Q289 L294 H295 L327Q289-R291 VanDerWaalsContact C-N 3.29Å; Q289-R291 PolarHBondContact O-N 2.57Å; R291-L294 WeakPolarHBondContact O-CB 3.47Å; R291-L294 PolarHBondContact O-N 3.35Å; R291-H295 PolarHBondContact O-CD2 3.02Å; R291-L327 HydrophobicContact CG-CD1 4.42Å; R291-L327 HydrophobicContact CG-CD2 3.65Å
292K89Confident89.7Confident72 Ų7234.9 Ų34.931%0.31318%0.178SC..Hα-helixtrans-71.5-38.8177-65-173.7-171.1164.50111.3L284 Q289 P290 L294 H295 F296 L348 L352L284-K292 HydrophobicContact CD1-CB 3.83Å; L284-K292 HydrophobicContact CD2-CB 4.1Å; L284-K292 HydrophobicContact CD2-CD 4.24Å; L284-K292 HydrophobicContact CG-CB 4.48Å; Q289-K292 HydrophobicContact CB-CB 4.46Å; Q289-K292 PolarHBondContact O-N 3.33Å; Q289-K292 VanDerWaalsContact O-N 3.08Å; P290-K292 PolarHBondContact O-N 3.33Å; K292-L294 PolarHBondContact O-N 3.09Å; K292-H295 PolarHBondContact O-N 3.24Å; K292-F296 WeakPolarHBondContact O-CD2 3.31Å; K292-F296 PolarHBondContact O-N 3.3Å; K292-L348 HydrophobicContact CG-CD1 4.43Å; K292-L352 HydrophobicContact CD-CD2 4.3Å
293A90Very high89.8Confident0 Ų035 Ų350%018%0.178CC..Hα-helixtrans-59.2-37.3174.900000111.9S281 L284 I285 Q289 P290 H295 F296 T297 L323S281-A293 PolarHBondContact OG-O 3.37Å; L284-A293 HydrophobicContact CB-CB 3.8Å; I285-A293 HydrophobicContact CG1-CB 3.79Å; Q289-A293 PolarHBondContact O-N 3.02Å; P290-A293 PolarHBondContact O-N 3.08Å; A293-H295 VanDerWaalsContact C-N 3.35Å; A293-H295 PolarHBondContact O-N 3.46Å; A293-F296 PolarHBondContact O-N 3.33Å; A293-T297 WeakPolarHBondContact O-CB 3.14Å; A293-T297 PolarHBondContact O-N 3.15Å; A293-T297 PolarHBondContact O-OG1 2.84Å; A293-L323 HydrophobicContact CB-CD1 3.98Å; A293-L323 HydrophobicContact CB-CD2 3.91Å
294L88.4Confident89.7Confident15 Ų1534.9 Ų34.98%0.07918%0.177CC..Hα-helixtrans-59.4-44.6176.8-170.367000111.7P290 R291 K292 F296 T297 M298 F320 L323 V324 L327P290-L294 WeakPolarHBondContact O-CB 3.38Å; P290-L294 PolarHBondContact O-N 3.19Å; R291-L294 WeakPolarHBondContact O-CB 3.47Å; R291-L294 PolarHBondContact O-N 3.35Å; K292-L294 PolarHBondContact O-N 3.09Å; L294-F296 PolarHBondContact O-N 3.43Å; L294-T297 WeakPolarHBondContact O-CB 2.71Å; L294-T297 PolarHBondContact O-N 3.25Å; L294-M298 WeakPolarHBondContact O-CG 3.32Å; L294-M298 PolarHBondContact O-N 3.22Å; L294-F320 HydrophobicContact CD1-CD2 3.43Å; L294-F320 VanDerWaalsContact CD1-CD2 3.43Å; L294-F320 HydrophobicContact CD1-CE2 3.63Å; L294-F320 HydrophobicContact CD1-CG 4.22Å; L294-F320 HydrophobicContact CG-CD2 4.49Å; L294-F320 HydrophobicContact CG-CE2 4.4Å; L294-L323 HydrophobicContact CB-CD1 4.41Å; L294-L323 HydrophobicContact CD1-CB 4.07Å; L294-L323 HydrophobicContact CD1-CD1 4.31Å; L294-V324 HydrophobicContact CD1-CG2 4.17Å; L294-L327 HydrophobicContact CD2-CD1 4.03Å
295H89.2Confident89.6Confident32 Ų3240.9 Ų40.915%0.14820%0.203CC..Hα-helixtrans-58.9-49.8175.5-70.5-79.6000111.6R291 K292 A293 T297 M298 L299 F341 F344 L348R291-H295 PolarHBondContact O-CD2 3.02Å; K292-H295 PolarHBondContact O-N 3.24Å; A293-H295 VanDerWaalsContact C-N 3.35Å; A293-H295 PolarHBondContact O-N 3.46Å; H295-T297 VanDerWaalsContact C-N 3.3Å; H295-T297 PolarHBondContact O-N 3.22Å; H295-M298 WeakPolarHBondContact O-CB 3.29Å; H295-M298 PolarHBondContact O-N 3.26Å; H295-M298 VanDerWaalsContact O-N 3.15Å; H295-L299 PolarHBondContact O-N 3.04Å; H295-F341 AromaticContact CE1-CE1 3.76Å; H295-F344 HydrophobicContact CB-CD2 3.96Å; H295-F344 HydrophobicContact CB-CE2 3.89Å; H295-F344 WeakPolarHBondContact O-CD2 3.43Å; H295-L348 HydrophobicContact CB-CD2 3.46Å; H295-L348 VanDerWaalsContact CB-CD2 3.46Å
296F91.6Very high89.7Confident0 Ų045.1 Ų45.10%022%0.222CC..Hα-helixtrans-66-31.8178.8-74.1-70.8000113.3L261 A277 L280 L284 K292 A293 L294 M298 L299 Q300 F344 L348 I349 L352L261-F296 HydrophobicContact CD2-CD1 4.43Å; L261-F296 HydrophobicContact CD2-CE1 3.72Å; A277-F296 HydrophobicContact CB-CD1 4.48Å; L280-F296 HydrophobicContact CB-CB 4.29Å; L280-F296 HydrophobicContact CB-CD1 3.89Å; L280-F296 HydrophobicContact CB-CD2 4.03Å; L280-F296 HydrophobicContact CB-CE1 4.22Å; L280-F296 HydrophobicContact CB-CE2 4.32Å; L280-F296 HydrophobicContact CB-CG 3.79Å; L280-F296 HydrophobicContact CB-CZ 4.4Å; L280-F296 HydrophobicContact CD1-CD1 3.82Å; L280-F296 HydrophobicContact CD1-CE1 3.46Å; L280-F296 VanDerWaalsContact CD1-CE1 3.46Å; L280-F296 HydrophobicContact CD1-CZ 3.87Å; L280-F296 HydrophobicContact CG-CD1 4.49Å; L280-F296 HydrophobicContact CG-CE1 4.39Å; L284-F296 HydrophobicContact CD1-CD2 3.32Å; L284-F296 HydrophobicContact CD1-CE2 3.55Å; L284-F296 HydrophobicContact CD1-CG 4.46Å; K292-F296 WeakPolarHBondContact O-CD2 3.31Å; K292-F296 PolarHBondContact O-N 3.3Å; A293-F296 PolarHBondContact O-N 3.33Å; L294-F296 PolarHBondContact O-N 3.43Å; F296-M298 VanDerWaalsContact C-N 3.34Å; F296-L299 HydrophobicContact CD1-CD2 4.38Å; F296-L299 PolarHBondContact O-N 3.26Å; F296-Q300 WeakPolarHBondContact O-CB 3.47Å; F296-Q300 PolarHBondContact O-N 3.1Å; F296-F344 HydrophobicContact CD1-CE2 4.42Å; F296-F344 HydrophobicContact CE1-CZ 4.44Å; F296-L348 HydrophobicContact CE2-CD2 4.34Å; F296-I349 HydrophobicContact CE1-CD1 4.2Å; F296-I349 HydrophobicContact CE1-CG1 3.94Å; F296-I349 HydrophobicContact CZ-CG1 4.09Å; F296-L352 HydrophobicContact CE2-CD1 3.66Å; F296-L352 HydrophobicContact CZ-CD1 3.67Å
297T90.9Very high89.6Confident2 Ų245.4 Ų45.41%0.01223%0.225CC..Hα-helixtrans-64.1-40172.5-54.60000111.4S281 A293 L294 H295 Q300 Y301 A316 N319 F320 L323S281-T297 PolarHBondContact OG-OG1 2.99Å; A293-T297 WeakPolarHBondContact O-CB 3.14Å; A293-T297 PolarHBondContact O-N 3.15Å; A293-T297 PolarHBondContact O-OG1 2.84Å; L294-T297 WeakPolarHBondContact O-CB 2.71Å; L294-T297 PolarHBondContact O-N 3.25Å; H295-T297 VanDerWaalsContact C-N 3.3Å; H295-T297 PolarHBondContact O-N 3.22Å; T297-Q300 WeakPolarHBondContact O-CB 3.31Å; T297-Q300 PolarHBondContact O-N 3.07Å; T297-Y301 PolarHBondContact O-N 2.89Å; T297-A316 HydrophobicContact CG2-CB 4.23Å; T297-A316 WeakPolarHBondContact CG2-O 3.28Å; T297-N319 HydrophobicContact CG2-CB 3.87Å; T297-F320 HydrophobicContact CG2-CB 4.06Å; T297-L323 WeakPolarHBondContact OG1-CD1 3.5Å
298M89.4Confident89.5Confident30 Ų3045.3 Ų45.315%0.14824%0.238CC..Hα-helixtrans-66.7-41.3174.8-68.5174.67600112.2L294 H295 F296 Q300 Y301 S302 F320 F341L294-M298 WeakPolarHBondContact O-CG 3.32Å; L294-M298 PolarHBondContact O-N 3.22Å; H295-M298 WeakPolarHBondContact O-CB 3.29Å; H295-M298 PolarHBondContact O-N 3.26Å; H295-M298 VanDerWaalsContact O-N 3.15Å; F296-M298 VanDerWaalsContact C-N 3.34Å; M298-Q300 VanDerWaalsContact C-N 3.32Å; M298-Q300 PolarHBondContact O-N 3.21Å; M298-Y301 PolarHBondContact O-N 3.21Å; M298-S302 PolarHBondContact O-N 3.27Å; M298-S302 PolarHBondContact O-OG 3.11Å; M298-F320 HydrophobicContact CG-CD2 4.3Å; M298-F320 HydrophobicContact CG-CE2 4.25Å; M298-F341 HydrophobicContact CE-CD1 4.05Å; M298-F341 HydrophobicContact SD-CD1 3.83Å; M298-F341 HydrophobicContact SD-CE1 4.32Å
299L90.7Very high89.3Confident9 Ų944.3 Ų44.35%0.04722%0.22CC..Hα-helixtrans-59.2-46.3174.2178.360.8000110.6L261 A277 H295 F296 Y301 S302 L303 F344 I349L261-L299 HydrophobicContact CD2-CD2 4.49Å; A277-L299 HydrophobicContact CB-CB 4.16Å; A277-L299 HydrophobicContact CB-CD2 3.9Å; A277-L299 HydrophobicContact CB-CG 3.94Å; H295-L299 PolarHBondContact O-N 3.04Å; F296-L299 HydrophobicContact CD1-CD2 4.38Å; F296-L299 PolarHBondContact O-N 3.26Å; L299-Y301 PolarHBondContact O-N 3.13Å; L299-S302 PolarHBondContact O-N 3.12Å; L299-S302 PolarHBondContact O-OG 3.35Å; L299-L303 HydrophobicContact CD1-CD1 3.82Å; L299-L303 HydrophobicContact CD1-CG 4.22Å; L299-L303 HydrophobicContact CG-CD1 3.9Å; L299-L303 WeakPolarHBondContact O-CG 3.37Å; L299-L303 PolarHBondContact O-N 3.41Å; L299-F344 HydrophobicContact CB-CD2 3.72Å; L299-F344 HydrophobicContact CB-CE2 3.95Å; L299-F344 HydrophobicContact CB-CG 4.01Å; L299-F344 HydrophobicContact CB-CZ 4.47Å; L299-F344 HydrophobicContact CD1-CD1 4.22Å; L299-F344 HydrophobicContact CD1-CG 4.37Å; L299-F344 HydrophobicContact CD2-CE1 4.11Å; L299-F344 HydrophobicContact CD2-CE2 4.16Å; L299-F344 HydrophobicContact CD2-CZ 3.91Å; L299-I349 HydrophobicContact CD2-CD1 4.28Å
300Q91.3Very high89.1Confident0 Ų051.6 Ų51.60%024%0.244CC..Hα-helixtrans-58-48.4175.6-169.4-158.4-9.700111.5E274 A277 W278 F296 T297 M298 S302 L303 S304 A316E274-Q300 HydrophobicContact CG-CG 3.98Å; E274-Q300 WeakPolarHBondContact OE1-CG 3.46Å; E274-Q300 PolarHBondContact OE1-NE2 3.24Å; A277-Q300 HydrophobicContact CB-CB 4.04Å; W278-Q300 HydrophobicContact CB-CG 4.02Å; W278-Q300 VanDerWaalsContact CD1-NE2 3.29Å; F296-Q300 WeakPolarHBondContact O-CB 3.47Å; F296-Q300 PolarHBondContact O-N 3.1Å; T297-Q300 WeakPolarHBondContact O-CB 3.31Å; T297-Q300 PolarHBondContact O-N 3.07Å; M298-Q300 VanDerWaalsContact C-N 3.32Å; M298-Q300 PolarHBondContact O-N 3.21Å; Q300-S302 PolarHBondContact O-N 3.05Å; Q300-L303 PolarHBondContact O-N 3.5Å; Q300-S304 VanDerWaalsContact O-CB 3.28Å; Q300-S304 WeakPolarHBondContact O-CB 3.27Å; Q300-S304 PolarHBondContact O-N 3.19Å; Q300-S304 PolarHBondContact O-OG 3.14Å; Q300-A316 HydrophobicContact CB-CB 4.42Å; Q300-A316 HydrophobicContact CG-CB 4.39Å
301Y91.4Very high88.9Confident42 Ų4254.4 Ų54.417%0.16526%0.258CS..Hα-helixtrans-58.8-47.3178.1174.2-99.9000111.7T297 M298 L299 L303 S304 K305 E313 A316 E317 L337T297-Y301 PolarHBondContact O-N 2.89Å; M298-Y301 PolarHBondContact O-N 3.21Å; L299-Y301 PolarHBondContact O-N 3.13Å; Y301-L303 PolarHBondContact O-N 2.86Å; Y301-S304 PolarHBondContact O-N 3.21Å; Y301-K305 WeakPolarHBondContact O-CB 3.41Å; Y301-K305 PolarHBondContact O-N 2.98Å; Y301-E313 HydrophobicContact CD2-CG 3.82Å; Y301-E313 HydrophobicContact CE2-CG 3.52Å; Y301-A316 HydrophobicContact CD2-CB 4.47Å; Y301-E317 HydrophobicContact CD2-CG 4.03Å; Y301-E317 HydrophobicContact CE2-CG 3.85Å; Y301-L337 HydrophobicContact CE1-CD1 4.44Å
302S91.3Very high88.7Confident45 Ų4545.3 Ų45.332%0.31522%0.224SC..Hα-helixtrans-61.9-42.4179.858.60000112.8M298 L299 Q300 Q306M298-S302 PolarHBondContact O-N 3.27Å; M298-S302 PolarHBondContact O-OG 3.11Å; L299-S302 PolarHBondContact O-N 3.12Å; L299-S302 PolarHBondContact O-OG 3.35Å; Q300-S302 PolarHBondContact O-N 3.05Å; S302-Q306 WeakPolarHBondContact O-CG 3.37Å; S302-Q306 PolarHBondContact O-N 3.5Å; S302-Q306 VanDerWaalsContact O-N 3.12Å
303L90.6Very high88.5Confident9 Ų944.2 Ų44.25%0.04722%0.22CC..Hα-helixtrans-71.3-42.7178.8-70.7166.6000111.3E270 Q273 E274 L299 Q300 Y301 K305 Q306 L307E270-L303 HydrophobicContact CB-CD2 4.38Å; Q273-L303 HydrophobicContact CB-CD1 3.62Å; E274-L303 HydrophobicContact CB-CB 3.83Å; E274-L303 HydrophobicContact CB-CD1 4.21Å; E274-L303 HydrophobicContact CG-CB 4.1Å; L299-L303 HydrophobicContact CD1-CD1 3.82Å; L299-L303 HydrophobicContact CD1-CG 4.22Å; L299-L303 HydrophobicContact CG-CD1 3.9Å; L299-L303 WeakPolarHBondContact O-CG 3.37Å; L299-L303 PolarHBondContact O-N 3.41Å; Q300-L303 PolarHBondContact O-N 3.5Å; Y301-L303 PolarHBondContact O-N 2.86Å; L303-K305 VanDerWaalsContact C-N 3.26Å; L303-K305 PolarHBondContact O-N 3.4Å; L303-Q306 PolarHBondContact O-N 3.31Å; L303-Q306 VanDerWaalsContact O-N 3.12Å; L303-L307 WeakPolarHBondContact O-CB 3.37Å; L303-L307 VanDerWaalsContact O-CG 3.26Å; L303-L307 WeakPolarHBondContact O-CG 3.41Å; L303-L307 PolarHBondContact O-N 3.04Å
304S89.2Confident88.3Confident0 Ų048.6 Ų48.60%024%0.241CC..Hα-helixtrans-57.9-41.5176.4-60.30000111.3E274 Q300 Y301 L307 G308 D309E274-S304 WeakPolarHBondContact CG-OG 3.21Å; E274-S304 PolarHBondContact OE1-OG 3.32Å; Q300-S304 VanDerWaalsContact O-CB 3.28Å; Q300-S304 WeakPolarHBondContact O-CB 3.27Å; Q300-S304 PolarHBondContact O-N 3.19Å; Q300-S304 PolarHBondContact O-OG 3.14Å; Y301-S304 PolarHBondContact O-N 3.21Å; S304-L307 PolarHBondContact O-N 2.96Å; S304-G308 CarbonylContact O-C 3.54Å; S304-G308 PolarHBondContact O-N 3.06Å; S304-D309 PolarHBondContact O-N 3.46Å
305K89.3Confident88.1Confident126 Ų12648.8 Ų48.855%0.54824%0.243SC..Hα-helixtrans-65.9-40176.1-172.8170.9-173.4163.40113Y301 L303 G308Y301-K305 WeakPolarHBondContact O-CB 3.41Å; Y301-K305 PolarHBondContact O-N 2.98Å; L303-K305 VanDerWaalsContact C-N 3.26Å; L303-K305 PolarHBondContact O-N 3.4Å; K305-G308 PolarHBondContact O-N 3.44Å
306Q90.6Very high88Confident130 Ų13047.3 Ų47.361%0.60724%0.237SC*.Hα-helixtrans-66-41.8175.6-73.9170.8-4.700111.8S302 L303 G308S302-Q306 WeakPolarHBondContact O-CG 3.37Å; S302-Q306 PolarHBondContact O-N 3.5Å; S302-Q306 VanDerWaalsContact O-N 3.12Å; L303-Q306 PolarHBondContact O-N 3.31Å; L303-Q306 VanDerWaalsContact O-N 3.12Å; Q306-G308 VanDerWaalsContact C-N 3.28Å; Q306-G308 PolarHBondContact O-N 3.02Å
307L88.6Confident87.8Confident62 Ų6251.8 Ų51.833%0.32526%0.257SS..Hα-helixtrans-76.1-13.2179.3-67167.3000113.4E270 L271 E274 L303 S304 D309E270-L307 HydrophobicContact CB-CD2 4.01Å; L271-L307 HydrophobicContact CB-CD1 4.28Å; L271-L307 HydrophobicContact CD1-CD1 3.88Å; E274-L307 HydrophobicContact CB-CD1 4.12Å; L303-L307 WeakPolarHBondContact O-CB 3.37Å; L303-L307 VanDerWaalsContact O-CG 3.26Å; L303-L307 WeakPolarHBondContact O-CG 3.41Å; L303-L307 PolarHBondContact O-N 3.04Å; S304-L307 PolarHBondContact O-N 2.96Å; L307-D309 VanDerWaalsContact C-N 3.26Å; L307-D309 PolarHBondContact O-N 3.11Å
308G88.3Confident87.5Confident53 Ų5355.3 Ų55.355%0.54628%0.276SS..THydrogen-bonded Turntrans70.917.7-172.300000114.2S304 K305 Q306 R310S304-G308 CarbonylContact O-C 3.54Å; S304-G308 PolarHBondContact O-N 3.06Å; K305-G308 PolarHBondContact O-N 3.44Å; Q306-G308 VanDerWaalsContact C-N 3.28Å; Q306-G308 PolarHBondContact O-N 3.02Å; G308-R310 PolarHBondContact O-N 3.29Å
309D83.9Confident87.4Confident34 Ų3454 Ų5418%0.18227%0.27CS..  trans-75.686.7174.4-175.3-1.9000110.1R275 S304 L307 N311 G312 E313R275-D309 IonicContact CZ-OD2 3.41Å; R275-D309 IonicContact NH1-OD2 2.71Å; R275-D309 PolarHBondContact NH1-OD2 2.58Å; R275-D309 IonicContact NH2-OD2 2.84Å; S304-D309 PolarHBondContact O-N 3.46Å; L307-D309 VanDerWaalsContact C-N 3.26Å; L307-D309 PolarHBondContact O-N 3.11Å; D309-N311 PolarHBondContact O-N 3.22Å; D309-N311 PolarHBondContact OD1-N 2.9Å; D309-N311 VanDerWaalsContact OD1-N 3.11Å; D309-G312 VanDerWaalsContact CG-N 3.32Å; D309-G312 PolarHBondContact O-N 3.45Å; D309-G312 PolarHBondContact OD1-N 3.3Å; D309-E313 PolarHBondContact O-N 3.26Å
310R85.1Confident87.2Confident210 Ų21055.3 Ų55.379%0.79228%0.275SS*.Hα-helixtrans-59.2-31.5178.1-65.3-177.5-176172.21.8113.2G308 M314G308-R310 PolarHBondContact O-N 3.29Å; R310-M314 WeakPolarHBondContact O-CB 3.48Å; R310-M314 PolarHBondContact O-N 2.64Å
311N80.9Confident86.9Confident81 Ų8158 Ų5843%0.43330%0.297SS..Hα-helixtrans-75-42.1179.6-175.362.9000110.4D309 E313 M314 V315D309-N311 PolarHBondContact O-N 3.22Å; D309-N311 PolarHBondContact OD1-N 2.9Å; D309-N311 VanDerWaalsContact OD1-N 3.11Å; N311-E313 VanDerWaalsContact C-N 3.33Å; N311-M314 PolarHBondContact O-N 3.47Å; N311-M314 WeakPolarHBondContact OD1-CE 3.43Å; N311-V315 WeakPolarHBondContact O-CB 3.38Å; N311-V315 VanDerWaalsContact O-CG2 3.29Å; N311-V315 WeakPolarHBondContact O-CG2 3.19Å; N311-V315 PolarHBondContact O-N 3.14Å
312G82.9Confident86.5Confident0 Ų057.2 Ų57.20%030%0.296CS..Hα-helixtrans-57.5-44.4170.100000112.4D309 V315 A316D309-G312 VanDerWaalsContact CG-N 3.32Å; D309-G312 PolarHBondContact O-N 3.45Å; D309-G312 PolarHBondContact OD1-N 3.3Å; G312-V315 PolarHBondContact O-N 3.02Å; G312-A316 WeakPolarHBondContact O-CB 3.43Å; G312-A316 PolarHBondContact O-N 3.06Å
313E85.5Confident86.3Confident49 Ų4955.2 Ų55.223%0.22928%0.281CS..Hα-helixtrans-57.6-53.6175.8-173.3176.4-166.200111.3Y301 D309 N311 V315 A316 E317Y301-E313 HydrophobicContact CD2-CG 3.82Å; Y301-E313 HydrophobicContact CE2-CG 3.52Å; D309-E313 PolarHBondContact O-N 3.26Å; N311-E313 VanDerWaalsContact C-N 3.33Å; E313-V315 PolarHBondContact O-N 2.94Å; E313-A316 PolarHBondContact O-N 3.43Å; E313-E317 WeakPolarHBondContact O-CG 3.3Å; E313-E317 PolarHBondContact O-N 3.15Å
314M84.6Confident85.9Confident91 Ų9156.4 Ų56.445%0.44829%0.289SS..Hα-helixtrans-59.5-43.2178.5-179.3-166.866.200112.3R310 N311 A316 E317 L318R310-M314 WeakPolarHBondContact O-CB 3.48Å; R310-M314 PolarHBondContact O-N 2.64Å; N311-M314 PolarHBondContact O-N 3.47Å; N311-M314 WeakPolarHBondContact OD1-CE 3.43Å; M314-A316 VanDerWaalsContact C-N 3.32Å; M314-A316 PolarHBondContact O-N 3.43Å; M314-E317 PolarHBondContact O-N 3.28Å; M314-L318 HydrophobicContact CG-CD1 4.3Å; M314-L318 WeakPolarHBondContact O-CG 3.19Å; M314-L318 PolarHBondContact O-N 3.14Å
315V85.5Confident85.6Confident19 Ų1961 Ų6112%0.11531%0.307CS..Hα-helixtrans-63-41.8178.1168.50000110.8N311 G312 E313 L318 N319 W566N311-V315 WeakPolarHBondContact O-CB 3.38Å; N311-V315 VanDerWaalsContact O-CG2 3.29Å; N311-V315 WeakPolarHBondContact O-CG2 3.19Å; N311-V315 PolarHBondContact O-N 3.14Å; G312-V315 PolarHBondContact O-N 3.02Å; E313-V315 PolarHBondContact O-N 2.94Å; V315-L318 PolarHBondContact O-N 3.23Å; V315-N319 WeakPolarHBondContact O-CB 3.18Å; V315-N319 PolarHBondContact O-N 3.17Å; V315-W566 HydrophobicContact CG2-CZ2 4.4Å
316A87.1Confident85.2Confident1 Ų159.1 Ų59.11%0.00830%0.3CS..Hα-helixtrans-66.5-41177.300000111.8T297 Q300 Y301 G312 E313 M314 N319 F320T297-A316 HydrophobicContact CG2-CB 4.23Å; T297-A316 WeakPolarHBondContact CG2-O 3.28Å; Q300-A316 HydrophobicContact CB-CB 4.42Å; Q300-A316 HydrophobicContact CG-CB 4.39Å; Y301-A316 HydrophobicContact CD2-CB 4.47Å; G312-A316 WeakPolarHBondContact O-CB 3.43Å; G312-A316 PolarHBondContact O-N 3.06Å; E313-A316 PolarHBondContact O-N 3.43Å; M314-A316 VanDerWaalsContact C-N 3.32Å; M314-A316 PolarHBondContact O-N 3.43Å; A316-N319 PolarHBondContact O-N 3.29Å; A316-F320 VanDerWaalsContact O-CB 3.24Å; A316-F320 WeakPolarHBondContact O-CB 3.27Å; A316-F320 PolarHBondContact O-N 3.35Å
317E87.5Confident84.7Confident94 Ų9454.9 Ų54.944%0.43928%0.281SS..Hα-helixtrans-61.4-44.1175.1-74-178.1163.700112.4Y301 E313 M314 F320 A321Y301-E317 HydrophobicContact CD2-CG 4.03Å; Y301-E317 HydrophobicContact CE2-CG 3.85Å; E313-E317 WeakPolarHBondContact O-CG 3.3Å; E313-E317 PolarHBondContact O-N 3.15Å; M314-E317 PolarHBondContact O-N 3.28Å; E317-F320 WeakPolarHBondContact O-CB 3.49Å; E317-F320 PolarHBondContact O-N 3.33Å; E317-A321 PolarHBondContact O-N 2.94Å
318L84.5Confident83.8Confident76 Ų7653.4 Ų53.440%0.39827%0.273SS..Hα-helixtrans-62.8-47.8176.6-72.9172.5000111.4M314 V315 F320 A321 D322M314-L318 HydrophobicContact CG-CD1 4.3Å; M314-L318 WeakPolarHBondContact O-CG 3.19Å; M314-L318 PolarHBondContact O-N 3.14Å; V315-L318 PolarHBondContact O-N 3.23Å; L318-F320 VanDerWaalsContact C-N 3.3Å; L318-F320 PolarHBondContact O-N 2.93Å; L318-A321 PolarHBondContact O-N 2.85Å; L318-D322 PolarHBondContact O-N 3.16Å
319N86.1Confident82.4Confident4 Ų457.5 Ų57.52%0.02128%0.278CS..Hα-helixtrans-62.6-38.3177.2-76.7-1.1000111.6T297 V315 A316 D322 L323 R577T297-N319 HydrophobicContact CG2-CB 3.87Å; V315-N319 WeakPolarHBondContact O-CB 3.18Å; V315-N319 PolarHBondContact O-N 3.17Å; A316-N319 PolarHBondContact O-N 3.29Å; N319-D322 PolarHBondContact O-N 2.57Å; N319-L323 VanDerWaalsContact O-CB 3.29Å; N319-L323 WeakPolarHBondContact O-CB 3.47Å; N319-L323 WeakPolarHBondContact O-CD1 3.44Å; N319-L323 VanDerWaalsContact O-CG 3.22Å; N319-L323 WeakPolarHBondContact O-CG 3.34Å; N319-L323 PolarHBondContact O-N 3.3Å; N319-R577 PolarHBondContact OD1-NH2 2.81Å
320F86.9Confident81Confident35 Ų3563 Ų6315%0.15431%0.307CS..Hα-helixtrans-61.3-49.1175.6-179.7-86.7000110.9L294 T297 M298 A316 E317 L318 D322 L323 V324 L337L294-F320 HydrophobicContact CD1-CD2 3.43Å; L294-F320 VanDerWaalsContact CD1-CD2 3.43Å; L294-F320 HydrophobicContact CD1-CE2 3.63Å; L294-F320 HydrophobicContact CD1-CG 4.22Å; L294-F320 HydrophobicContact CG-CD2 4.49Å; L294-F320 HydrophobicContact CG-CE2 4.4Å; T297-F320 HydrophobicContact CG2-CB 4.06Å; M298-F320 HydrophobicContact CG-CD2 4.3Å; M298-F320 HydrophobicContact CG-CE2 4.25Å; A316-F320 VanDerWaalsContact O-CB 3.24Å; A316-F320 WeakPolarHBondContact O-CB 3.27Å; A316-F320 PolarHBondContact O-N 3.35Å; E317-F320 WeakPolarHBondContact O-CB 3.49Å; E317-F320 PolarHBondContact O-N 3.33Å; L318-F320 VanDerWaalsContact C-N 3.3Å; L318-F320 PolarHBondContact O-N 2.93Å; F320-D322 VanDerWaalsContact C-N 3.34Å; F320-D322 PolarHBondContact O-N 3.29Å; F320-L323 PolarHBondContact O-N 3.08Å; F320-V324 HydrophobicContact CD1-CG2 3.98Å; F320-V324 HydrophobicContact CE1-CG2 3.62Å; F320-V324 HydrophobicContact CE2-CG2 4.28Å; F320-V324 HydrophobicContact CG-CG2 4.44Å; F320-V324 HydrophobicContact CZ-CG2 3.78Å; F320-V324 WeakPolarHBondContact O-CB 3.43Å; F320-V324 VanDerWaalsContact O-CG2 3.27Å; F320-V324 WeakPolarHBondContact O-CG2 3.43Å; F320-V324 PolarHBondContact O-N 3.24Å; F320-L337 HydrophobicContact CE1-CD2 4.36Å; F320-L337 HydrophobicContact CE2-CD2 4.34Å; F320-L337 HydrophobicContact CZ-CD2 4.18Å
321A84.2Confident79Confident56 Ų5657.1 Ų57.146%0.46330%0.298SS..Hα-helixtrans-61.2-41.3178.500000112.3E317 L318 R325E317-A321 PolarHBondContact O-N 2.94Å; L318-A321 PolarHBondContact O-N 2.85Å; A321-R325 WeakPolarHBondContact O-CB 3.44Å; A321-R325 PolarHBondContact O-N 3.31Å
322D84.1Confident76.9Confident27 Ų2760.3 Ų60.314%0.14432%0.315CS..Hα-helixtrans-64.9-46.3177-74.7-32.5000111.8L318 N319 F320 R325 E326 R577L318-D322 PolarHBondContact O-N 3.16Å; N319-D322 PolarHBondContact O-N 2.57Å; F320-D322 VanDerWaalsContact C-N 3.34Å; F320-D322 PolarHBondContact O-N 3.29Å; D322-R325 PolarHBondContact O-N 2.78Å; D322-R325 IonicContact OD1-CZ 2.56Å; D322-R325 IonicContact OD1-NH1 3.74Å; D322-R325 PolarHBondContact OD1-NH1 3.28Å; D322-R325 IonicContact OD1-NH2 2.66Å; D322-R325 PolarHBondContact OD1-NH2 3.44Å; D322-E326 PolarHBondContact O-N 2.87Å; D322-R577 WeakPolarHBondContact OD2-CD 3.46Å; D322-R577 WeakPolarHBondContact OD2-CG 3.04Å; D322-R577 IonicContact OD2-NE 2.85Å; D322-R577 PolarHBondContact OD2-NE 3.3Å
323L86.5Confident74.8Confident2 Ų264.2 Ų64.21%0.0134%0.34CS..Hα-helixtrans-64-42.3177.4-77.4168.7000112.3I285 P290 A293 L294 T297 N319 F320 R325 E326 L327I285-L323 HydrophobicContact CD1-CD1 4.41Å; I285-L323 HydrophobicContact CD1-CD2 4.2Å; I285-L323 HydrophobicContact CD1-CG 4.36Å; I285-L323 HydrophobicContact CG1-CD2 3.75Å; I285-L323 HydrophobicContact CG1-CG 4.45Å; P290-L323 HydrophobicContact CB-CD2 3.71Å; A293-L323 HydrophobicContact CB-CD1 3.98Å; A293-L323 HydrophobicContact CB-CD2 3.91Å; L294-L323 HydrophobicContact CB-CD1 4.41Å; L294-L323 HydrophobicContact CD1-CB 4.07Å; L294-L323 HydrophobicContact CD1-CD1 4.31Å; T297-L323 WeakPolarHBondContact OG1-CD1 3.5Å; N319-L323 VanDerWaalsContact O-CB 3.29Å; N319-L323 WeakPolarHBondContact O-CB 3.47Å; N319-L323 WeakPolarHBondContact O-CD1 3.44Å; N319-L323 VanDerWaalsContact O-CG 3.22Å; N319-L323 WeakPolarHBondContact O-CG 3.34Å; N319-L323 PolarHBondContact O-N 3.3Å; F320-L323 PolarHBondContact O-N 3.08Å; L323-R325 VanDerWaalsContact C-N 3.35Å; L323-E326 PolarHBondContact O-N 3.39Å; L323-L327 WeakPolarHBondContact O-CB 3.29Å; L323-L327 VanDerWaalsContact O-CG 3.3Å; L323-L327 WeakPolarHBondContact O-CG 3.43Å; L323-L327 PolarHBondContact O-N 3.27Å
324V83Confident72.5Confident35 Ų3568.8 Ų68.821%0.21237%0.366CS..Hα-helixtrans-64.3-41.3175.8168.80000110.1L294 F320 E326 L327 N328L294-V324 HydrophobicContact CD1-CG2 4.17Å; F320-V324 HydrophobicContact CD1-CG2 3.98Å; F320-V324 HydrophobicContact CE1-CG2 3.62Å; F320-V324 HydrophobicContact CE2-CG2 4.28Å; F320-V324 HydrophobicContact CG-CG2 4.44Å; F320-V324 HydrophobicContact CZ-CG2 3.78Å; F320-V324 WeakPolarHBondContact O-CB 3.43Å; F320-V324 VanDerWaalsContact O-CG2 3.27Å; F320-V324 WeakPolarHBondContact O-CG2 3.43Å; F320-V324 PolarHBondContact O-N 3.24Å; V324-E326 VanDerWaalsContact C-N 3.32Å; V324-E326 PolarHBondContact O-N 3.39Å; V324-L327 PolarHBondContact O-N 2.94Å; V324-N328 WeakPolarHBondContact CG1-ND2 3.27Å; V324-N328 WeakPolarHBondContact O-CA 3.25Å; V324-N328 WeakPolarHBondContact O-CB 3.48Å; V324-N328 PolarHBondContact O-N 2.98Å; V324-N328 PolarHBondContact O-OD1 3.45Å
325R81.5Confident70.3Confident96 Ų9669.5 Ų69.536%0.36238%0.38SS..Hα-helixtrans-61.8-39.8174.7-175.7179.163.6-133.6-11112.2A321 D322 L323 H329A321-R325 WeakPolarHBondContact O-CB 3.44Å; A321-R325 PolarHBondContact O-N 3.31Å; D322-R325 PolarHBondContact O-N 2.78Å; D322-R325 IonicContact OD1-CZ 2.56Å; D322-R325 IonicContact OD1-NH1 3.74Å; D322-R325 PolarHBondContact OD1-NH1 3.28Å; D322-R325 IonicContact OD1-NH2 2.66Å; D322-R325 PolarHBondContact OD1-NH2 3.44Å; L323-R325 VanDerWaalsContact C-N 3.35Å; R325-H329 PolarHBondContact O-N 3.15Å
326E81.1Confident68.1Low87 Ų8773 Ų7341%0.40741%0.406SS..Hα-helixtrans-64.6-43.6176.4-170.4-177.1158.800111.6D322 L323 V324D322-E326 PolarHBondContact O-N 2.87Å; L323-E326 PolarHBondContact O-N 3.39Å; V324-E326 VanDerWaalsContact C-N 3.32Å; V324-E326 PolarHBondContact O-N 3.39Å
327L81.5Confident66.2Low41 Ų4177.4 Ų77.422%0.21543%0.428CS..Hα-helixtrans-72.3-36.6177.1-68.2169.7000112.6P290 R291 L294 L323 V324 H329 D330P290-L327 HydrophobicContact CB-CD2 4.11Å; P290-L327 HydrophobicContact CB-CG 4.29Å; P290-L327 HydrophobicContact CG-CD2 3.88Å; R291-L327 HydrophobicContact CG-CD1 4.42Å; R291-L327 HydrophobicContact CG-CD2 3.65Å; L294-L327 HydrophobicContact CD2-CD1 4.03Å; L323-L327 WeakPolarHBondContact O-CB 3.29Å; L323-L327 VanDerWaalsContact O-CG 3.3Å; L323-L327 WeakPolarHBondContact O-CG 3.43Å; L323-L327 PolarHBondContact O-N 3.27Å; V324-L327 PolarHBondContact O-N 2.94Å; L327-H329 VanDerWaalsContact C-N 3.29Å; L327-H329 PolarHBondContact O-N 3.4Å; L327-D330 PolarHBondContact O-N 3.05Å; L327-D330 VanDerWaalsContact O-N 3.14Å
328N69.1Low64Low30 Ų3076 Ų7616%0.1642%0.424CS..Hα-helixtrans-77.3-11.4-176-76.93.9000113.5V324 D330 S331 L332 P333V324-N328 WeakPolarHBondContact CG1-ND2 3.27Å; V324-N328 WeakPolarHBondContact O-CA 3.25Å; V324-N328 WeakPolarHBondContact O-CB 3.48Å; V324-N328 PolarHBondContact O-N 2.98Å; V324-N328 PolarHBondContact O-OD1 3.45Å; N328-D330 PolarHBondContact O-N 3.3Å; N328-D330 VanDerWaalsContact O-N 3.12Å; N328-S331 WeakPolarHBondContact CA-O 3.49Å; N328-S331 CarbonylContact O-C 3.36Å; N328-S331 PolarHBondContact O-N 2.99Å; N328-S331 PolarHBondContact OD1-O 3.19Å; N328-L332 HydrophobicContact CB-CD2 4.45Å; N328-L332 HydrophobicContact CB-CG 4.13Å; N328-P333 PolarHBondContact ND2-O 3.31Å
329H59.3Low61.9Low140 Ų14077.7 Ų77.765%0.64844%0.439SS*.THydrogen-bonded Turntrans-56.8-20.1163.9-109-70.2000111.9R325 L327R325-H329 PolarHBondContact O-N 3.15Å; L327-H329 VanDerWaalsContact C-N 3.29Å; L327-H329 PolarHBondContact O-N 3.4Å
330D54Low59.5Low148 Ų14885.1 Ų85.179%0.79147%0.474SS*.SBendtrans-98.2-15.2169.6-72.2-29000114.6L327 N328L327-D330 PolarHBondContact O-N 3.05Å; L327-D330 VanDerWaalsContact O-N 3.14Å; N328-D330 PolarHBondContact O-N 3.3Å; N328-D330 VanDerWaalsContact O-N 3.12Å
331S43Very low57.8Low87 Ų8787.9 Ų87.961%0.60849%0.486SS*.SBendtrans-179.4114.2172.42.10000112.6N328N328-S331 WeakPolarHBondContact CA-O 3.49Å; N328-S331 CarbonylContact O-C 3.36Å; N328-S331 PolarHBondContact O-N 2.99Å; N328-S331 PolarHBondContact OD1-O 3.19Å
332L37.3Very low56.2Low148 Ų14895.5 Ų95.578%0.77551%0.509SS*.  trans-77.5136.5175.4-86136.9000113N328N328-L332 HydrophobicContact CB-CD2 4.45Å; N328-L332 HydrophobicContact CB-CG 4.13Å
333P39.5Very low55Low83 Ų8395.8 Ų95.854%0.53952%0.517SS..  -127.5157.1124.2164.3000113.1N328N328-P333 PolarHBondContact ND2-O 3.31Å
334D37.1Very low54.2Low144 Ų14497.4 Ų97.477%0.7753%0.525SS*.  trans-64.6157.8-162.9-156.81.9000115.8S336D334-S336 PolarHBondContact O-N 3.46Å
335S38Very low53.7Low106 Ų10699.3 Ų99.374%0.74153%0.534SS*.SBendtrans-59.3104.7-172.557.70000114.8
336S38.5Very low53.4Low93 Ų9397.1 Ų97.165%0.6553%0.528SS*.SBendtrans170.9124.2146.559.10000103.2D334 D338D334-S336 PolarHBondContact O-N 3.46Å; S336-D338 PolarHBondContact O-N 2.96Å
337L46.8Very low53.5Low93 Ų9398.4 Ų98.449%0.48754%0.537SS..SBendtrans-0.394.3173-76.9159.1000112.1Y301 F320 P339Y301-L337 HydrophobicContact CE1-CD1 4.44Å; F320-L337 HydrophobicContact CE1-CD2 4.36Å; F320-L337 HydrophobicContact CE2-CD2 4.34Å; F320-L337 HydrophobicContact CZ-CD2 4.18Å; L337-P339 WeakPolarHBondContact O-CD 3.45Å
338D41.8Very low53.7Low65 Ų6597.6 Ų97.635%0.34853%0.533SS..  trans-43.5110.6-172.8173.95.5000109.1S336 H340 F341S336-D338 PolarHBondContact O-N 2.96Å; D338-H340 PolarHBondContact O-N 3.22Å; D338-H340 WeakPolarHBondContact OD1-CB 3.39Å; D338-H340 IonicContact OD1-CD2 3.71Å; D338-H340 IonicContact OD1-CG 3.88Å; D338-H340 PolarHBondContact OD1-N 2.7Å; D338-F341 PolarHBondContact O-N 2.98Å
339P40.2Very low54.4Low111 Ų11196.1 Ų96.172%0.72153%0.525SS*.THydrogen-bonded Turntrans-65.4-8.4-17422.2-30.1000112.4L337L337-P339 WeakPolarHBondContact O-CD 3.45Å
340H37.1Very low55.6Low160 Ų16091.3 Ų91.374%0.74151%0.509SS*.THydrogen-bonded Turntrans-90.1-10.5174.9-63.8-58.9000114.7D338 K342D338-H340 PolarHBondContact O-N 3.22Å; D338-H340 WeakPolarHBondContact OD1-CB 3.39Å; D338-H340 IonicContact OD1-CD2 3.71Å; D338-H340 IonicContact OD1-CG 3.88Å; D338-H340 PolarHBondContact OD1-N 2.7Å; H340-K342 PolarHBondContact O-N 3.32Å
341F49.3Very low57.2Low94 Ų9488 Ų8841%0.41250%0.497SS..  trans-86.798.4174.9-134-92.5000110.5H295 M298 D338 G343H295-F341 AromaticContact CE1-CE1 3.76Å; M298-F341 HydrophobicContact CE-CD1 4.05Å; M298-F341 HydrophobicContact SD-CD1 3.83Å; M298-F341 HydrophobicContact SD-CE1 4.32Å; D338-F341 PolarHBondContact O-N 2.98Å; F341-G343 PolarHBondContact O-N 3.4Å
342K52Low59.4Low216 Ų21684.7 Ų84.794%0.93947%0.473SS*.  trans-66.18-165.3-73-174.4176.4-179.50117.6H340H340-K342 PolarHBondContact O-N 3.32Å
343G58.6Low61.7Low32 Ų3278.5 Ų78.533%0.3344%0.44SS..SBendtrans119.3-176.4-179.900000113.8F341 D345F341-G343 PolarHBondContact O-N 3.4Å; G343-D345 PolarHBondContact O-N 3.24Å
344F68.7Low64Low36 Ų3676.8 Ų76.816%0.15843%0.433CS..  trans-64.7130.1175.9-179.8-107.3000110.8H295 F296 L299 E346 I349H295-F344 HydrophobicContact CB-CD2 3.96Å; H295-F344 HydrophobicContact CB-CE2 3.89Å; H295-F344 WeakPolarHBondContact O-CD2 3.43Å; F296-F344 HydrophobicContact CD1-CE2 4.42Å; F296-F344 HydrophobicContact CE1-CZ 4.44Å; L299-F344 HydrophobicContact CB-CD2 3.72Å; L299-F344 HydrophobicContact CB-CE2 3.95Å; L299-F344 HydrophobicContact CB-CG 4.01Å; L299-F344 HydrophobicContact CB-CZ 4.47Å; L299-F344 HydrophobicContact CD1-CD1 4.22Å; L299-F344 HydrophobicContact CD1-CG 4.37Å; L299-F344 HydrophobicContact CD2-CE1 4.11Å; L299-F344 HydrophobicContact CD2-CE2 4.16Å; L299-F344 HydrophobicContact CD2-CZ 3.91Å; F344-E346 HydrophobicContact CD1-CG 4.31Å; F344-E346 PolarHBondContact O-N 2.89Å; F344-I349 HydrophobicContact CE1-CD1 3.54Å; F344-I349 HydrophobicContact CE1-CG1 4.21Å; F344-I349 HydrophobicContact CZ-CD1 3.37Å; F344-I349 HydrophobicContact CZ-CG1 3.73Å
345D72.6Confident66.5Low76 Ų7673.7 Ų73.741%0.40642%0.422SS..  trans-83.3102.9175.5-175.6-0000109G343 D347 L348G343-D345 PolarHBondContact O-N 3.24Å; D345-D347 PolarHBondContact O-N 3.26Å; D345-D347 WeakPolarHBondContact OD1-CB 3.46Å; D345-D347 PolarHBondContact OD1-N 3.34Å; D345-L348 HydrophobicContact CB-CB 4.43Å; D345-L348 WeakPolarHBondContact O-CB 3.32Å; D345-L348 PolarHBondContact O-N 3.42Å
346E77Confident68.9Low50 Ų5069 Ų6923%0.23439%0.389CS..Hα-helixtrans-59.1-30.4177.9-79.2-65.6172.100112.8R265 F344 L348 I349R265-E346 IonicContact CZ-OE1 3.02Å; R265-E346 IonicContact CZ-OE2 2.73Å; R265-E346 IonicContact NH1-OE1 2.99Å; R265-E346 IonicContact NH1-OE2 3.99Å; R265-E346 PolarHBondContact NH1-OE2 2.65Å; R265-E346 VanDerWaalsContact NH2-CD 3.27Å; R265-E346 IonicContact NH2-OE1 3.98Å; R265-E346 PolarHBondContact NH2-OE1 3.49Å; R265-E346 IonicContact NH2-OE2 2.75Å; R265-E346 PolarHBondContact NH2-OE2 3.39Å; F344-E346 HydrophobicContact CD1-CG 4.31Å; F344-E346 PolarHBondContact O-N 2.89Å; E346-L348 PolarHBondContact O-N 3.42Å; E346-I349 PolarHBondContact O-N 2.89Å
347D81.7Confident71.1Confident113 Ų11369 Ų6960%0.60438%0.378SS*.Hα-helixtrans-66.9-20.6178.9-67.1-25000111.3D345 A350 C351D345-D347 PolarHBondContact O-N 3.26Å; D345-D347 WeakPolarHBondContact OD1-CB 3.46Å; D345-D347 PolarHBondContact OD1-N 3.34Å; D347-A350 PolarHBondContact O-N 2.87Å; D347-C351 VanDerWaalsContact O-CB 3.27Å; D347-C351 WeakPolarHBondContact O-CB 3.5Å; D347-C351 PolarHBondContact O-N 3Å; D347-C351 PolarHBondContact O-SG 3.4Å
348L85.4Confident73Confident24 Ų2473.3 Ų73.313%0.12639%0.392CS..Hα-helixtrans-62.3-44.9176.8-17962.9000111.8K292 H295 F296 D345 E346 C351 L352K292-L348 HydrophobicContact CG-CD1 4.43Å; H295-L348 HydrophobicContact CB-CD2 3.46Å; H295-L348 VanDerWaalsContact CB-CD2 3.46Å; F296-L348 HydrophobicContact CE2-CD2 4.34Å; D345-L348 HydrophobicContact CB-CB 4.43Å; D345-L348 WeakPolarHBondContact O-CB 3.32Å; D345-L348 PolarHBondContact O-N 3.42Å; E346-L348 PolarHBondContact O-N 3.42Å; L348-C351 PolarHBondContact O-N 3.07Å; L348-L352 HydrophobicContact CD1-CD1 4.22Å; L348-L352 HydrophobicContact CD1-CG 4.24Å; L348-L352 HydrophobicContact CG-CD1 4.02Å; L348-L352 HydrophobicContact CG-CG 4.44Å; L348-L352 WeakPolarHBondContact O-CB 3.43Å; L348-L352 VanDerWaalsContact O-CG 3.26Å; L348-L352 WeakPolarHBondContact O-CG 3.4Å; L348-L352 PolarHBondContact O-N 3.21Å
349I84.5Confident75.2Confident0 Ų071.7 Ų71.70%039%0.386CS..Hα-helixtrans-67.2-44.6179.8-72.1164.2000109.8L258 L261 F296 L299 F344 E346 C351 L352 L353 F380L258-I349 HydrophobicContact CD1-CG2 4.27Å; L261-I349 HydrophobicContact CD2-CD1 3.54Å; L261-I349 HydrophobicContact CD2-CG1 4.08Å; L261-I349 HydrophobicContact CG-CD1 4.38Å; F296-I349 HydrophobicContact CE1-CD1 4.2Å; F296-I349 HydrophobicContact CE1-CG1 3.94Å; F296-I349 HydrophobicContact CZ-CG1 4.09Å; L299-I349 HydrophobicContact CD2-CD1 4.28Å; F344-I349 HydrophobicContact CE1-CD1 3.54Å; F344-I349 HydrophobicContact CE1-CG1 4.21Å; F344-I349 HydrophobicContact CZ-CD1 3.37Å; F344-I349 HydrophobicContact CZ-CG1 3.73Å; E346-I349 PolarHBondContact O-N 2.89Å; I349-C351 VanDerWaalsContact C-N 3.29Å; I349-C351 PolarHBondContact O-N 3.35Å; I349-L352 PolarHBondContact O-N 3.34Å; I349-L353 HydrophobicContact CG2-CD1 3.67Å; I349-L353 HydrophobicContact CG2-CG 4.13Å; I349-L353 WeakPolarHBondContact O-CB 3.48Å; I349-L353 VanDerWaalsContact O-CG 3.3Å; I349-L353 WeakPolarHBondContact O-CG 3.16Å; I349-L353 PolarHBondContact O-N 2.94Å; I349-F380 HydrophobicContact CB-CE2 4.05Å; I349-F380 HydrophobicContact CG2-CD2 4.31Å; I349-F380 HydrophobicContact CG2-CE2 3.67Å
350A85.3Confident77.4Confident38 Ų3869.6 Ų69.631%0.31438%0.378SS..Hα-helixtrans-57.7-43.5175.600000111.4D347 L353 A354D347-A350 PolarHBondContact O-N 2.87Å; A350-L353 PolarHBondContact O-N 3.44Å; A350-A354 VanDerWaalsContact O-CB 3.28Å; A350-A354 WeakPolarHBondContact O-CB 3.4Å; A350-A354 PolarHBondContact O-N 2.71Å
351C87.5Confident79.6Confident80 Ų8067.9 Ų67.954%0.54137%0.368SS..Hα-helixtrans-63.8-43.1175.6-73.50000112.6D347 L348 I349 A354 S355D347-C351 VanDerWaalsContact O-CB 3.27Å; D347-C351 WeakPolarHBondContact O-CB 3.5Å; D347-C351 PolarHBondContact O-N 3Å; D347-C351 PolarHBondContact O-SG 3.4Å; L348-C351 PolarHBondContact O-N 3.07Å; I349-C351 VanDerWaalsContact C-N 3.29Å; I349-C351 PolarHBondContact O-N 3.35Å; C351-A354 PolarHBondContact O-N 3.42Å; C351-S355 WeakPolarHBondContact O-CB 3.34Å; C351-S355 PolarHBondContact O-N 2.6Å
352L88.3Confident81.4Confident17 Ų1763.4 Ų63.49%0.08935%0.349CS..Hα-helixtrans-66.2-42.2178-72.9172.5000111.6L258 K292 F296 L348 I349 S355 L356L258-L352 HydrophobicContact CD1-CB 4.28Å; L258-L352 HydrophobicContact CD2-CB 3.69Å; K292-L352 HydrophobicContact CD-CD2 4.3Å; F296-L352 HydrophobicContact CE2-CD1 3.66Å; F296-L352 HydrophobicContact CZ-CD1 3.67Å; L348-L352 HydrophobicContact CD1-CD1 4.22Å; L348-L352 HydrophobicContact CD1-CG 4.24Å; L348-L352 HydrophobicContact CG-CD1 4.02Å; L348-L352 HydrophobicContact CG-CG 4.44Å; L348-L352 WeakPolarHBondContact O-CB 3.43Å; L348-L352 VanDerWaalsContact O-CG 3.26Å; L348-L352 WeakPolarHBondContact O-CG 3.4Å; L348-L352 PolarHBondContact O-N 3.21Å; I349-L352 PolarHBondContact O-N 3.34Å; L352-S355 PolarHBondContact O-N 3.48Å; L352-L356 VanDerWaalsContact O-CB 3.32Å; L352-L356 WeakPolarHBondContact O-CB 3.2Å; L352-L356 PolarHBondContact O-N 3.44Å
353L86.8Confident82.9Confident18 Ų1855.5 Ų55.59%0.09432%0.32CS..Hα-helixtrans-63.8-42.6174.9-70.5169.3000110.9L258 N262 I349 A350 S355 L356 K357 L376 F380L258-L353 HydrophobicContact CD1-CD2 4.44Å; L258-L353 HydrophobicContact CD1-CG 4.5Å; L258-L353 HydrophobicContact CD2-CD2 3.88Å; L258-L353 HydrophobicContact CD2-CG 4.17Å; L258-L353 HydrophobicContact CG-CD2 3.71Å; L258-L353 HydrophobicContact CG-CG 4.2Å; N262-L353 HydrophobicContact CB-CD1 4.3Å; N262-L353 HydrophobicContact CB-CD2 4.12Å; N262-L353 WeakPolarHBondContact OD1-CD1 3.36Å; I349-L353 HydrophobicContact CG2-CD1 3.67Å; I349-L353 HydrophobicContact CG2-CG 4.13Å; I349-L353 WeakPolarHBondContact O-CB 3.48Å; I349-L353 VanDerWaalsContact O-CG 3.3Å; I349-L353 WeakPolarHBondContact O-CG 3.16Å; I349-L353 PolarHBondContact O-N 2.94Å; A350-L353 PolarHBondContact O-N 3.44Å; L353-S355 PolarHBondContact O-N 3.23Å; L353-L356 WeakPolarHBondContact O-CB 3.42Å; L353-L356 PolarHBondContact O-N 3.38Å; L353-K357 WeakPolarHBondContact O-CB 3.44Å; L353-K357 PolarHBondContact O-N 3.27Å; L353-L376 HydrophobicContact CD2-CD2 3.72Å; L353-F380 HydrophobicContact CD1-CD2 4.22Å
354A87.2Confident84Confident47 Ų4760.5 Ų60.539%0.38834%0.34SS..Hα-helixtrans-64.6-38.4175.600000112.4A350 C351 K358A350-A354 VanDerWaalsContact O-CB 3.28Å; A350-A354 WeakPolarHBondContact O-CB 3.4Å; A350-A354 PolarHBondContact O-N 2.71Å; C351-A354 PolarHBondContact O-N 3.42Å; A354-K358 WeakPolarHBondContact O-CG 3.45Å; A354-K358 PolarHBondContact O-N 3.09Å
355S89.2Confident84.6Confident78 Ų7860.5 Ų60.555%0.54534%0.341SS..Hα-helixtrans-66.4-40.7173.2-175.20000111.4C351 L352 L353 K358 S359C351-S355 WeakPolarHBondContact O-CB 3.34Å; C351-S355 PolarHBondContact O-N 2.6Å; L352-S355 PolarHBondContact O-N 3.48Å; L353-S355 PolarHBondContact O-N 3.23Å; S355-K358 PolarHBondContact O-N 2.81Å; S355-S359 PolarHBondContact O-N 3.17Å
356L87.5Confident84.8Confident8 Ų857.7 Ų57.74%0.04233%0.326CS..Hα-helixtrans-63.2-43.2177.8-175.256.8000111.2K255 L258 L259 L352 L353 K358 S359 F362 L376K255-L356 HydrophobicContact CB-CD1 3.98Å; K255-L356 HydrophobicContact CB-CD2 4.36Å; K255-L356 HydrophobicContact CD-CD1 3.87Å; K255-L356 HydrophobicContact CG-CD1 3.52Å; L258-L356 HydrophobicContact CD2-CD2 4.11Å; L259-L356 HydrophobicContact CD2-CD2 4.26Å; L259-L356 HydrophobicContact CG-CD2 4.49Å; L352-L356 VanDerWaalsContact O-CB 3.32Å; L352-L356 WeakPolarHBondContact O-CB 3.2Å; L352-L356 PolarHBondContact O-N 3.44Å; L353-L356 WeakPolarHBondContact O-CB 3.42Å; L353-L356 PolarHBondContact O-N 3.38Å; L356-K358 PolarHBondContact O-N 3.31Å; L356-S359 VanDerWaalsContact O-CB 3.32Å; L356-S359 WeakPolarHBondContact O-CB 3.33Å; L356-S359 PolarHBondContact O-N 2.91Å; L356-F362 HydrophobicContact CD1-CB 3.6Å; L356-F362 HydrophobicContact CD1-CD1 3.73Å; L356-F362 HydrophobicContact CD1-CD2 3.62Å; L356-F362 HydrophobicContact CD1-CE1 4.29Å; L356-F362 HydrophobicContact CD1-CE2 4.19Å; L356-F362 HydrophobicContact CD1-CG 3.35Å; L356-F362 HydrophobicContact CD1-CZ 4.49Å; L356-F362 HydrophobicContact CD2-CE1 4.3Å; L356-F362 HydrophobicContact CD2-CE2 4.27Å; L356-F362 HydrophobicContact CD2-CZ 4.15Å; L356-F362 HydrophobicContact CG-CD1 3.74Å; L356-F362 HydrophobicContact CG-CD2 4.23Å; L356-F362 HydrophobicContact CG-CE1 3.91Å; L356-F362 HydrophobicContact CG-CE2 4.37Å; L356-F362 HydrophobicContact CG-CG 3.9Å; L356-F362 HydrophobicContact CG-CZ 4.22Å; L356-L376 HydrophobicContact CB-CD1 4.41Å; L356-L376 HydrophobicContact CD2-CD2 4.32Å; L356-L376 HydrophobicContact CG-CD1 4.36Å
357K85.7Confident84.6Confident94 Ų9456.8 Ų56.841%0.40932%0.324SS..Hα-helixtrans-56.7-31176-164.3169.5-177.3168.20113.4L353 N373 L376L353-K357 WeakPolarHBondContact O-CB 3.44Å; L353-K357 PolarHBondContact O-N 3.27Å; K357-N373 WeakPolarHBondContact CE-OD1 3.31Å; K357-L376 HydrophobicContact CB-CD1 3.57Å; K357-L376 HydrophobicContact CG-CD1 4.04Å
358K87.2Confident84.2Confident182 Ų18257.9 Ų57.979%0.79134%0.341SS*.THydrogen-bonded Turntrans-92.3-5.3178.6-64.9176.1-175.61770113.6A354 S355 L356 A360A354-K358 WeakPolarHBondContact O-CG 3.45Å; A354-K358 PolarHBondContact O-N 3.09Å; S355-K358 PolarHBondContact O-N 2.81Å; L356-K358 PolarHBondContact O-N 3.31Å; K358-A360 PolarHBondContact O-N 2.88Å
359S88Confident83.7Confident31 Ų3162.1 Ų62.122%0.21736%0.363CS..  trans-79.1111.1-174-179.40000111.6S355 L356 K361 F362 S363S355-S359 PolarHBondContact O-N 3.17Å; L356-S359 VanDerWaalsContact O-CB 3.32Å; L356-S359 WeakPolarHBondContact O-CB 3.33Å; L356-S359 PolarHBondContact O-N 2.91Å; S359-K361 PolarHBondContact O-N 2.87Å; S359-F362 WeakPolarHBondContact O-CB 3.19Å; S359-F362 PolarHBondContact O-N 2.78Å; S359-F362 PolarHBondContact OG-N 2.78Å; S359-S363 PolarHBondContact O-N 2.96Å; S359-S363 PolarHBondContact O-OG 2.74Å
360A85.4Confident83.2Confident67 Ų6763.9 Ų63.955%0.55437%0.371SS*.Hα-helixtrans-58.8-36.5174.500000112.5K358 F362 S363 N364K358-A360 PolarHBondContact O-N 2.88Å; A360-F362 VanDerWaalsContact C-N 3.32Å; A360-F362 PolarHBondContact O-N 2.77Å; A360-S363 PolarHBondContact O-N 3.06Å; A360-N364 PolarHBondContact O-N 2.82Å; A360-N364 PolarHBondContact O-ND2 3.12Å; A360-N364 PolarHBondContact O-OD1 2.95Å
361K84.5Confident82.9Confident125 Ų12564.2 Ų64.254%0.54337%0.371SS..Hα-helixtrans-59.1-44173.9-75.9-177174.9179.80111.3E251 S359 N364 M365E251-K361 VanDerWaalsContact OE1-CD 3.29Å; E251-K361 WeakPolarHBondContact OE1-CD 3.28Å; E251-K361 IonicContact OE1-NZ 3.68Å; E251-K361 IonicContact OE2-NZ 2.96Å; E251-K361 PolarHBondContact OE2-NZ 3.29Å; S359-K361 PolarHBondContact O-N 2.87Å; K361-N364 PolarHBondContact O-N 3.28Å; K361-M365 WeakPolarHBondContact O-CG 3.43Å; K361-M365 PolarHBondContact O-N 3.32Å
362F85Confident82.5Confident0 Ų060.7 Ų60.70%035%0.348CS..Hα-helixtrans-66.8-44178.1177.6-115.4000111.6K255 L259 L356 S359 A360 N364 M365 L366 A372 V375 L376K255-F362 HydrophobicContact CB-CD2 4.3Å; K255-F362 HydrophobicContact CD-CB 4.27Å; K255-F362 HydrophobicContact CD-CD2 4.04Å; L259-F362 HydrophobicContact CD1-CE2 4.01Å; L259-F362 HydrophobicContact CD1-CZ 3.91Å; L259-F362 HydrophobicContact CD2-CZ 4.2Å; L259-F362 HydrophobicContact CG-CZ 4.44Å; L356-F362 HydrophobicContact CD1-CB 3.6Å; L356-F362 HydrophobicContact CD1-CD1 3.73Å; L356-F362 HydrophobicContact CD1-CD2 3.62Å; L356-F362 HydrophobicContact CD1-CE1 4.29Å; L356-F362 HydrophobicContact CD1-CE2 4.19Å; L356-F362 HydrophobicContact CD1-CG 3.35Å; L356-F362 HydrophobicContact CD1-CZ 4.49Å; L356-F362 HydrophobicContact CD2-CE1 4.3Å; L356-F362 HydrophobicContact CD2-CE2 4.27Å; L356-F362 HydrophobicContact CD2-CZ 4.15Å; L356-F362 HydrophobicContact CG-CD1 3.74Å; L356-F362 HydrophobicContact CG-CD2 4.23Å; L356-F362 HydrophobicContact CG-CE1 3.91Å; L356-F362 HydrophobicContact CG-CE2 4.37Å; L356-F362 HydrophobicContact CG-CG 3.9Å; L356-F362 HydrophobicContact CG-CZ 4.22Å; S359-F362 WeakPolarHBondContact O-CB 3.19Å; S359-F362 PolarHBondContact O-N 2.78Å; S359-F362 PolarHBondContact OG-N 2.78Å; A360-F362 VanDerWaalsContact C-N 3.32Å; A360-F362 PolarHBondContact O-N 2.77Å; F362-N364 PolarHBondContact O-N 2.97Å; F362-M365 WeakPolarHBondContact O-CB 3.35Å; F362-M365 PolarHBondContact O-N 3.27Å; F362-L366 HydrophobicContact CD1-CD1 4.4Å; F362-L366 HydrophobicContact CE1-CD1 3.96Å; F362-L366 HydrophobicContact CE2-CD2 4.32Å; F362-L366 HydrophobicContact CZ-CD1 4.23Å; F362-L366 HydrophobicContact CZ-CD2 4.12Å; F362-L366 HydrophobicContact CZ-CG 4.41Å; F362-L366 PolarHBondContact O-N 3.4Å; F362-A372 HydrophobicContact CD1-CB 4Å; F362-A372 HydrophobicContact CE1-CB 4.01Å; F362-V375 HydrophobicContact CZ-CG1 4.11Å; F362-L376 HydrophobicContact CE1-CD1 4.36Å
363S83.8Confident82Confident49 Ų4964.1 Ų64.134%0.34337%0.367SS..Hα-helixtrans-56.2-38.1174.7-55.80000112.5S359 A360 M365 L366S359-S363 PolarHBondContact O-N 2.96Å; S359-S363 PolarHBondContact O-OG 2.74Å; A360-S363 PolarHBondContact O-N 3.06Å; S363-M365 VanDerWaalsContact C-N 3.28Å; S363-M365 PolarHBondContact O-N 3.02Å; S363-L366 PolarHBondContact O-N 3.32Å
364N82.5Confident81.5Confident137 Ų13768.1 Ų68.173%0.73339%0.388SS*.Hα-helixtrans-72.9-15.9177.5-66.6-12.9000114.2A360 K361 F362A360-N364 PolarHBondContact O-N 2.82Å; A360-N364 PolarHBondContact O-ND2 3.12Å; A360-N364 PolarHBondContact O-OD1 2.95Å; K361-N364 PolarHBondContact O-N 3.28Å; F362-N364 PolarHBondContact O-N 2.97Å
365M80.6Confident81Confident37 Ų3766 Ų6618%0.18237%0.37CS..Hα-helixtrans-83.4-19.5174.5-66.8174.577.500112.4F244 S252 K255 Y256 K361 F362 S363F244-M365 HydrophobicContact CE1-CE 4.41Å; F244-M365 HydrophobicContact CE2-CE 4.26Å; F244-M365 HydrophobicContact CZ-CE 3.93Å; S252-M365 WeakPolarHBondContact OG-CE 3.33Å; K255-M365 HydrophobicContact CD-SD 4.19Å; Y256-M365 HydrophobicContact CE2-CE 3.64Å; K361-M365 WeakPolarHBondContact O-CG 3.43Å; K361-M365 PolarHBondContact O-N 3.32Å; F362-M365 WeakPolarHBondContact O-CB 3.35Å; F362-M365 PolarHBondContact O-N 3.27Å; S363-M365 VanDerWaalsContact C-N 3.28Å; S363-M365 PolarHBondContact O-N 3.02Å
366L77.6Confident80.5Confident17 Ų1763.1 Ų63.19%0.08935%0.349CS..SBendtrans-80.2151.5179.7-63176000110.6F362 S363 E370 A372 V375F362-L366 HydrophobicContact CD1-CD1 4.4Å; F362-L366 HydrophobicContact CE1-CD1 3.96Å; F362-L366 HydrophobicContact CE2-CD2 4.32Å; F362-L366 HydrophobicContact CZ-CD1 4.23Å; F362-L366 HydrophobicContact CZ-CD2 4.12Å; F362-L366 HydrophobicContact CZ-CG 4.41Å; F362-L366 PolarHBondContact O-N 3.4Å; S363-L366 PolarHBondContact O-N 3.32Å; L366-E370 HydrophobicContact CB-CB 4.39Å; L366-A372 HydrophobicContact CD1-CB 4.36Å; L366-V375 HydrophobicContact CD1-CB 4.44Å; L366-V375 HydrophobicContact CD1-CG2 3.69Å; L366-V375 HydrophobicContact CD2-CG2 3.81Å; L366-V375 HydrophobicContact CG-CG2 4.37Å
367P73.7Confident79.8Confident31 Ų3166.2 Ų66.220%0.20138%0.375CS..  trans-51.7146.1167.4-2535.3000111.5N369 E370P367-N369 WeakPolarHBondContact CB-OD1 3.44Å; P367-N369 PolarHBondContact O-N 3.36Å; P367-E370 HydrophobicContact CB-CG 4.37Å; P367-E370 HydrophobicContact CG-CG 4.48Å; P367-E370 PolarHBondContact O-N 3.25Å
368S72.9Confident79.1Confident136 Ų13664.4 Ų64.495%0.95137%0.366SS*.THydrogen-bonded Turntrans-61.8-17.3-175.552.90000114.9
369N74.9Confident77.8Confident113 Ų11360.6 Ų60.660%0.60436%0.36SS*.THydrogen-bonded Turntrans-91.81.1176.261.6-35.4000113.5P367P367-N369 WeakPolarHBondContact CB-OD1 3.44Å; P367-N369 PolarHBondContact O-N 3.36Å
370E74.1Confident76.1Confident36 Ų3662.5 Ų62.517%0.16837%0.365CS..  trans-115.1140.3178.5-66.7-168.8163.200111.5K225 L366 P367K225-E370 WeakPolarHBondContact CD-OE1 2.97Å; K225-E370 IonicContact NZ-OE1 3.06Å; K225-E370 PolarHBondContact NZ-OE1 3.4Å; K225-E370 IonicContact NZ-OE2 3.78Å; K225-E370 PolarHBondContact NZ-OE2 3.29Å; L366-E370 HydrophobicContact CB-CB 4.39Å; P367-E370 HydrophobicContact CB-CG 4.37Å; P367-E370 HydrophobicContact CG-CG 4.48Å; P367-E370 PolarHBondContact O-N 3.25Å
371S79.4Confident74.6Confident45 Ų4561 Ų6132%0.31535%0.352SS..  trans-101.8155.1168.1800000111.2N373 D374 V375S371-N373 PolarHBondContact O-N 3.3Å; S371-N373 VanDerWaalsContact O-N 3.08Å; S371-N373 WeakPolarHBondContact OG-CB 2.85Å; S371-N373 PolarHBondContact OG-N 3.04Å; S371-D374 WeakPolarHBondContact CB-OD2 3.4Å; S371-D374 PolarHBondContact N-OD2 3.39Å; S371-D374 PolarHBondContact O-N 3.42Å; S371-D374 PolarHBondContact OG-N 2.85Å; S371-D374 PolarHBondContact OG-OD1 2.76Å; S371-D374 PolarHBondContact OG-OD2 2.98Å; S371-V375 PolarHBondContact O-N 2.96Å
372A78.4Confident73.1Confident7 Ų758.2 Ų58.26%0.05835%0.347CS..Hα-helixtrans-59.1-22172.400000112.6F362 L366 L376F362-A372 HydrophobicContact CD1-CB 4Å; F362-A372 HydrophobicContact CE1-CB 4.01Å; L366-A372 HydrophobicContact CD1-CB 4.36Å; A372-L376 VanDerWaalsContact O-CB 3.29Å; A372-L376 WeakPolarHBondContact O-CB 3.46Å; A372-L376 WeakPolarHBondContact O-CD1 3.41Å; A372-L376 WeakPolarHBondContact O-CG 3.37Å; A372-L376 PolarHBondContact O-N 2.92Å
373N78.1Confident71.5Confident89 Ų8961.1 Ų61.148%0.47637%0.371SS..Hα-helixtrans-69.1-40.6174.7-63.6-25.1000111.7K357 S371 L376 A377K357-N373 WeakPolarHBondContact CE-OD1 3.31Å; S371-N373 PolarHBondContact O-N 3.3Å; S371-N373 VanDerWaalsContact O-N 3.08Å; S371-N373 WeakPolarHBondContact OG-CB 2.85Å; S371-N373 PolarHBondContact OG-N 3.04Å; N373-L376 CarbonylContact O-C 3.59Å; N373-L376 PolarHBondContact O-N 3.01Å; N373-A377 PolarHBondContact O-N 3.22Å; N373-A377 VanDerWaalsContact O-N 3.15Å
374D76.8Confident69.3Low101 Ų10166.3 Ų66.354%0.5440%0.395SS..Hα-helixtrans-69.3-43.2-177.6-51.8-43.5000110.3S371 L376 A377S371-D374 WeakPolarHBondContact CB-OD2 3.4Å; S371-D374 PolarHBondContact N-OD2 3.39Å; S371-D374 PolarHBondContact O-N 3.42Å; S371-D374 PolarHBondContact OG-N 2.85Å; S371-D374 PolarHBondContact OG-OD1 2.76Å; S371-D374 PolarHBondContact OG-OD2 2.98Å; D374-L376 VanDerWaalsContact C-N 3.28Å; D374-L376 PolarHBondContact O-N 3.47Å; D374-A377 VanDerWaalsContact O-CB 3.31Å; D374-A377 WeakPolarHBondContact O-CB 3.41Å; D374-A377 PolarHBondContact O-N 3.14Å
375V76.2Confident67.1Low2 Ų263.5 Ų63.51%0.01238%0.383CS..Hα-helixtrans-66-31179-177.20000112.5L259 F362 L366 S371L259-V375 HydrophobicContact CD1-CG1 3.86Å; L259-V375 HydrophobicContact CD2-CG1 3.74Å; L259-V375 HydrophobicContact CG-CG1 4.45Å; F362-V375 HydrophobicContact CZ-CG1 4.11Å; L366-V375 HydrophobicContact CD1-CB 4.44Å; L366-V375 HydrophobicContact CD1-CG2 3.69Å; L366-V375 HydrophobicContact CD2-CG2 3.81Å; L366-V375 HydrophobicContact CG-CG2 4.37Å; S371-V375 PolarHBondContact O-N 2.96Å
376L77.8Confident64.7Low19 Ų1966.6 Ų66.610%0.09941%0.414CS..THydrogen-bonded Turntrans-103.921.2-178.4-61.9170.9000112.3L259 L353 L356 K357 F362 A372 N373 D374L259-L376 HydrophobicContact CD2-CD2 3.3Å; L259-L376 HydrophobicContact CD2-CG 4.26Å; L353-L376 HydrophobicContact CD2-CD2 3.72Å; L356-L376 HydrophobicContact CB-CD1 4.41Å; L356-L376 HydrophobicContact CD2-CD2 4.32Å; L356-L376 HydrophobicContact CG-CD1 4.36Å; K357-L376 HydrophobicContact CB-CD1 3.57Å; K357-L376 HydrophobicContact CG-CD1 4.04Å; F362-L376 HydrophobicContact CE1-CD1 4.36Å; A372-L376 VanDerWaalsContact O-CB 3.29Å; A372-L376 WeakPolarHBondContact O-CB 3.46Å; A372-L376 WeakPolarHBondContact O-CD1 3.41Å; A372-L376 WeakPolarHBondContact O-CG 3.37Å; A372-L376 PolarHBondContact O-N 2.92Å; N373-L376 CarbonylContact O-C 3.59Å; N373-L376 PolarHBondContact O-N 3.01Å; D374-L376 VanDerWaalsContact C-N 3.28Å; D374-L376 PolarHBondContact O-N 3.47Å
377A73Confident62.6Low72 Ų7272.8 Ų72.860%0.59544%0.443SS*.  trans-77.6-19.7-177.500000113.6N373 D374N373-A377 PolarHBondContact O-N 3.22Å; N373-A377 VanDerWaalsContact O-N 3.15Å; D374-A377 VanDerWaalsContact O-CB 3.31Å; D374-A377 WeakPolarHBondContact O-CB 3.41Å; D374-A377 PolarHBondContact O-N 3.14Å
378Y71Confident60.7Low56 Ų5679.8 Ų79.822%0.2248%0.479CS..SBendtrans-58.1124.9179.2-66.9-69.2000110.5V230 E233 N262 I263 F380V230-Y378 HydrophobicContact CB-CE1 4.34Å; V230-Y378 HydrophobicContact CG1-CD1 4.23Å; V230-Y378 HydrophobicContact CG1-CE1 3.61Å; V230-Y378 HydrophobicContact CG2-CE1 3.79Å; E233-Y378 PolarHBondContact OE2-OH 3.47Å; N262-Y378 PolarHBondContact ND2-O 3.39Å; I263-Y378 HydrophobicContact CD1-CD2 4Å; I263-Y378 HydrophobicContact CD1-CE2 3.7Å; I263-Y378 HydrophobicContact CG1-CD2 3.7Å; I263-Y378 HydrophobicContact CG1-CE2 3.93Å; I263-Y378 HydrophobicContact CG1-CG 4.21Å; Y378-F380 PolarHBondContact O-N 2.89Å
379P60.4Low58.7Low102 Ų10275.7 Ų75.766%0.66246%0.458SS*.  trans-58.9132.4-175.9-7.913.1000110.5A381P379-A381 PolarHBondContact O-N 2.98Å; P379-A381 VanDerWaalsContact O-N 3.1Å
380F52.1Low56.6Low71 Ų7175.6 Ų75.631%0.31146%0.463SS..  trans-69.5105.8169.2-178.2-97.3000108.6R265 I349 L353 Y378 P382R265-F380 VanDerWaalsContact NH1-CZ 3.33Å; I349-F380 HydrophobicContact CB-CE2 4.05Å; I349-F380 HydrophobicContact CG2-CD2 4.31Å; I349-F380 HydrophobicContact CG2-CE2 3.67Å; L353-F380 HydrophobicContact CD1-CD2 4.22Å; Y378-F380 PolarHBondContact O-N 2.89Å; F380-P382 HydrophobicContact CE1-CB 4.39Å
381A53.7Low54.5Low36 Ų3678.9 Ų78.930%0.29850%0.497SS..  trans-90.3115.5169.300000108.5P379P379-A381 PolarHBondContact O-N 2.98Å; P379-A381 VanDerWaalsContact O-N 3.1Å
382P52.4Low52.6Low66 Ų6681.7 Ų81.743%0.42951%0.508SS..  trans-63.7144.817023.2-27000109.4F380 N384 V385F380-P382 HydrophobicContact CE1-CB 4.39Å; P382-N384 PolarHBondContact O-N 3.17Å; P382-V385 HydrophobicContact CG-CG2 4.03Å; P382-V385 PolarHBondContact O-N 3.48Å
383A52.2Low50.3Low62 Ų6284.3 Ų84.351%0.51254%0.535SS..THydrogen-bonded Turntrans-53.5-19.3-168.800000115.5
384N38.6Very low48.2Very low157 Ų15786.2 Ų86.284%0.8454%0.541SS*.THydrogen-bonded Turntrans-109.415.6-166.8-67.7-18.9000116.3P382 A386P382-N384 PolarHBondContact O-N 3.17Å; N384-A386 PolarHBondContact O-N 3.23Å
385V35.1Very low46.3Very low79 Ų7984.3 Ų84.348%0.47953%0.534SS..  trans-92.594174.2-167.70000110.2K268 P382 E387K268-V385 PolarHBondContact NZ-O 3.36Å; P382-V385 HydrophobicContact CG-CG2 4.03Å; P382-V385 PolarHBondContact O-N 3.48Å; V385-E387 HydrophobicContact CG1-CG 4.12Å; V385-E387 PolarHBondContact O-N 2.87Å
386A31.3Very low44.6Very low102 Ų10294.7 Ų94.784%0.84357%0.573SS**  trans-69.875.4167.400000110.1N384N384-A386 PolarHBondContact O-N 3.23Å
387E31.7Very low43Very low147 Ų14797.5 Ų97.569%0.68759%0.588SS**  trans-110.6133.7157.4-76.5-172.4173.600108.8K268 V385 G389K268-E387 PolarHBondContact NZ-O 2.99Å; V385-E387 HydrophobicContact CG1-CG 4.12Å; V385-E387 PolarHBondContact O-N 2.87Å; E387-G389 VanDerWaalsContact C-N 3.29Å; E387-G389 PolarHBondContact O-N 3.2Å
388D33.7Very low41.6Very low178 Ų17897.7 Ų97.795%0.95258%0.577SS**  trans-59.488.4177.8-75.8-32.4000110.1
389G32.3Very low40.2Very low50 Ų5095.9 Ų95.952%0.51557%0.571SS.*  trans-72.5143.8169.400000109E387 A391E387-G389 VanDerWaalsContact C-N 3.29Å; E387-G389 PolarHBondContact O-N 3.2Å; G389-A391 PolarHBondContact O-N 3.44Å
390P29.3Very low39.4Very low110 Ų11092.1 Ų92.171%0.71455%0.548SS*.  trans-57.7137.8-177.624.2-32.1000110L392P390-L392 WeakPolarHBondContact O-CG 3.29Å; P390-L392 PolarHBondContact O-N 3.05Å
391A31.3Very low38.9Very low106 Ų10693 Ų9388%0.87655%0.552SS**  trans-58106.1172.900000109.1G389 G393G389-A391 PolarHBondContact O-N 3.44Å; A391-G393 PolarHBondContact O-N 3.24Å; A391-G393 VanDerWaalsContact O-N 3.08Å
392L38.9Very low38.5Very low104 Ų10495 Ų9555%0.54555%0.554SS.*  trans-81.985.8-174.7-73.7158000108.9L267 P390L267-L392 HydrophobicContact CB-CD1 4.45Å; L267-L392 HydrophobicContact CD2-CD1 3.62Å; P390-L392 WeakPolarHBondContact O-CG 3.29Å; P390-L392 PolarHBondContact O-N 3.05Å
393G29.5Very low38.2Very low61 Ų6193.3 Ų93.363%0.62954%0.542SS*.  trans-61.5141.2165.300000109.8A391A391-G393 PolarHBondContact O-N 3.24Å; A391-G393 VanDerWaalsContact O-N 3.08Å
394E34.5Very low37.8Very low129 Ų12991.5 Ų91.560%0.60352%0.523SS*.  trans-42.2140.7167-81.7-168.4139.300109.8R396E394-R396 PolarHBondContact O-N 2.82Å
395P37.5Very low38Very low62 Ų6285.7 Ų85.740%0.40349%0.491SS..SBendtrans-55.5110.9166.224.2-29.5000106A229 D397A229-P395 HydrophobicContact CB-CG 4.37Å; P395-D397 PolarHBondContact O-N 3.48Å
396R39.4Very low38.5Very low219 Ų21984.1 Ų84.183%0.82648%0.478SS*.  trans-27.6124.8-171.7-73173.9176.5178-1.5109.9E394 E398E394-R396 PolarHBondContact O-N 2.82Å; R396-E398 PolarHBondContact O-N 3.32Å
397D44.5Very low39.3Very low78 Ų7880.2 Ų80.242%0.41744%0.442SS..  trans-60.287.5171.4-170.58.5000108.3R195 P395 D399 A400 F401R195-D397 IonicContact NH1-OD1 3.62Å; P395-D397 PolarHBondContact O-N 3.48Å; D397-D399 PolarHBondContact O-N 3Å; D397-D399 WeakPolarHBondContact OD1-CB 3.48Å; D397-D399 PolarHBondContact OD1-N 3.32Å; D397-A400 HydrophobicContact CB-CB 3.81Å; D397-A400 CarbonylContact O-C 3.41Å; D397-A400 WeakPolarHBondContact O-CA 3.29Å; D397-A400 VanDerWaalsContact O-CB 3.29Å; D397-A400 WeakPolarHBondContact O-CB 3.32Å; D397-A400 PolarHBondContact O-N 2.86Å; D397-A400 PolarHBondContact OD1-N 2.84Å; D397-F401 PolarHBondContact O-N 3.41Å
398E43.7Very low40Very low77 Ų7774.3 Ų74.336%0.3642%0.416SS..Hα-helixtrans-62.2-27.7-179.5-73.7-174.7174.600109.4R396 A400 F401 F402R396-E398 PolarHBondContact O-N 3.32Å; E398-A400 VanDerWaalsContact C-N 3.35Å; E398-F401 WeakPolarHBondContact O-CB 3.36Å; E398-F401 PolarHBondContact O-N 3.16Å; E398-F401 VanDerWaalsContact O-N 3.17Å; E398-F402 HydrophobicContact CB-CD2 4.4Å; E398-F402 VanDerWaalsContact O-CB 3.26Å; E398-F402 WeakPolarHBondContact O-CB 3.47Å; E398-F402 WeakPolarHBondContact O-CD2 3.41Å; E398-F402 PolarHBondContact O-N 3.1Å
399D41.5Very low40.4Very low18 Ų1870 Ų7010%0.09639%0.39CS..Hα-helixtrans-64-40.6170-91.24.4000110.2R180 R195 D397 F402 D403R180-D399 IonicContact CZ-OD2 3.57Å; R180-D399 IonicContact NH1-OD2 3.69Å; R180-D399 PolarHBondContact NH1-OD2 3.4Å; R180-D399 VanDerWaalsContact NH2-CG 3.34Å; R180-D399 IonicContact NH2-OD1 3.29Å; R180-D399 PolarHBondContact NH2-OD1 2.9Å; R180-D399 IonicContact NH2-OD2 3.2Å; R180-D399 PolarHBondContact NH2-OD2 3.44Å; R195-D399 IonicContact CZ-OD1 3.68Å; R195-D399 IonicContact CZ-OD2 3.71Å; R195-D399 IonicContact NE-OD2 2.76Å; R195-D399 PolarHBondContact NE-OD2 2.93Å; R195-D399 IonicContact NH1-OD2 3.97Å; R195-D399 IonicContact NH2-OD1 3.24Å; R195-D399 PolarHBondContact NH2-OD1 2.65Å; R195-D399 IonicContact NH2-OD2 2.76Å; R195-D399 PolarHBondContact NH2-OD2 3.09Å; D397-D399 PolarHBondContact O-N 3Å; D397-D399 WeakPolarHBondContact OD1-CB 3.48Å; D397-D399 PolarHBondContact OD1-N 3.32Å; D399-F402 PolarHBondContact O-N 2.78Å; D399-D403 WeakPolarHBondContact O-CA 3.48Å; D399-D403 WeakPolarHBondContact O-CB 3.3Å; D399-D403 PolarHBondContact O-N 2.93Å
400A43.5Very low41Very low22 Ų2269.1 Ų69.118%0.18238%0.376CS..Hα-helixtrans-63.6-41.4169.700000111.8D397 E398 F402 H404D397-A400 HydrophobicContact CB-CB 3.81Å; D397-A400 CarbonylContact O-C 3.41Å; D397-A400 WeakPolarHBondContact O-CA 3.29Å; D397-A400 VanDerWaalsContact O-CB 3.29Å; D397-A400 WeakPolarHBondContact O-CB 3.32Å; D397-A400 PolarHBondContact O-N 2.86Å; D397-A400 PolarHBondContact OD1-N 2.84Å; E398-A400 VanDerWaalsContact C-N 3.35Å; A400-F402 VanDerWaalsContact C-N 3.28Å; A400-F402 PolarHBondContact O-N 3.41Å; A400-H404 WeakPolarHBondContact O-CB 3.48Å; A400-H404 PolarHBondContact O-CD2 3.48Å; A400-H404 PolarHBondContact O-N 3.49Å
401F43.3Very low42Very low90 Ų9069.6 Ų69.640%0.39537%0.367SS..Hα-helixtrans-55.5-47.7176.4171.2-102.5000111.1Y26 D397 E398 H404 L405Y26-F401 HydrophobicContact CD1-CD2 4.24Å; Y26-F401 AromaticContact CE1-CD2 3.65Å; Y26-F401 HydrophobicContact CE1-CD2 3.65Å; Y26-F401 HydrophobicContact CE1-CE2 4.28Å; Y26-F401 HydrophobicContact CE1-CG 4.44Å; Y26-F401 AromaticContact CZ-CD2 3.93Å; Y26-F401 PolarHBondContact OH-O 2.89Å; D397-F401 PolarHBondContact O-N 3.41Å; E398-F401 WeakPolarHBondContact O-CB 3.36Å; E398-F401 PolarHBondContact O-N 3.16Å; E398-F401 VanDerWaalsContact O-N 3.17Å; F401-H404 PolarHBondContact O-N 3.02Å; F401-L405 HydrophobicContact CE1-CD1 4.07Å; F401-L405 HydrophobicContact CE1-CD2 4.14Å; F401-L405 HydrophobicContact CE1-CG 4.49Å; F401-L405 HydrophobicContact CE2-CD1 4.14Å; F401-L405 HydrophobicContact CZ-CD1 3.64Å; F401-L405 HydrophobicContact CZ-CD2 4.46Å; F401-L405 WeakPolarHBondContact O-CB 3.19Å; F401-L405 PolarHBondContact O-N 3.33Å
402F44.4Very low42.5Very low77 Ų7766.1 Ų66.134%0.33833%0.331SS..Hα-helixtrans-82.2-33.2-175.6-87.3-58.2000114.4R155 E398 D399 A400 H404 L405 F406R155-F402 VanDerWaalsContact CZ-CB 3.46Å; R155-F402 VanDerWaalsContact NH1-C 3.31Å; R155-F402 PolarHBondContact NH1-O 3.34Å; R155-F402 VanDerWaalsContact NH2-CB 3.3Å; E398-F402 HydrophobicContact CB-CD2 4.4Å; E398-F402 VanDerWaalsContact O-CB 3.26Å; E398-F402 WeakPolarHBondContact O-CB 3.47Å; E398-F402 WeakPolarHBondContact O-CD2 3.41Å; E398-F402 PolarHBondContact O-N 3.1Å; D399-F402 PolarHBondContact O-N 2.78Å; A400-F402 VanDerWaalsContact C-N 3.28Å; A400-F402 PolarHBondContact O-N 3.41Å; F402-H404 PolarHBondContact O-N 2.76Å; F402-L405 HydrophobicContact CD1-CB 4.32Å; F402-L405 HydrophobicContact CD1-CD2 3.97Å; F402-L405 HydrophobicContact CE1-CD2 4.01Å; F402-L405 PolarHBondContact O-N 3.16Å; F402-F406 WeakPolarHBondContact O-CB 3.49Å; F402-F406 PolarHBondContact O-N 3.22Å
403D46.4Very low42.5Very low31 Ų3164.7 Ų64.717%0.16632%0.323CS..Hα-helixtrans-54.3-39.2166.6-86.9-12.9000108.9Y98 D399 H407Y98-D403 VanDerWaalsContact OH-CG 3.24Å; Y98-D403 PolarHBondContact OH-OD1 2.98Å; Y98-D403 PolarHBondContact OH-OD2 3.13Å; D399-D403 WeakPolarHBondContact O-CA 3.48Å; D399-D403 WeakPolarHBondContact O-CB 3.3Å; D399-D403 PolarHBondContact O-N 2.93Å; D403-H407 PolarHBondContact O-CE1 3.39Å; D403-H407 PolarHBondContact O-ND1 3.35Å
404H44.4Very low42.8Very low24 Ų2467.8 Ų67.811%0.11133%0.326CS..Hα-helixtrans-79.5-45.6173.2-63.6-41.4000111.9Y25 Y26 A400 F401 F402 F406 H407 L408Y25-H404 AromaticContact CE1-CD2 3.21Å; Y25-H404 WeakPolarHBondContact CE1-CD2 3.43Å; Y25-H404 AromaticContact CE1-CE1 3.71Å; Y25-H404 AromaticContact CE1-CG 3.63Å; Y25-H404 AromaticContact CE1-ND1 3.92Å; Y25-H404 AromaticContact CE1-NE2 3.24Å; Y25-H404 WeakPolarHBondContact CE1-NE2 3.46Å; Y25-H404 AromaticContact CZ-CD2 3.86Å; Y25-H404 AromaticContact CZ-CE1 3.57Å; Y25-H404 AromaticContact CZ-NE2 3.36Å; Y25-H404 PolarHBondContact OH-CE1 2.91Å; Y25-H404 PolarHBondContact OH-NE2 3.47Å; Y26-H404 HydrophobicContact CE1-CB 3.8Å; Y26-H404 WeakPolarHBondContact OH-CB 3.36Å; A400-H404 WeakPolarHBondContact O-CB 3.48Å; A400-H404 PolarHBondContact O-CD2 3.48Å; A400-H404 PolarHBondContact O-N 3.49Å; F401-H404 PolarHBondContact O-N 3.02Å; F402-H404 PolarHBondContact O-N 2.76Å; H404-F406 PolarHBondContact O-N 3.44Å; H404-F406 VanDerWaalsContact O-N 3.13Å; H404-H407 WeakPolarHBondContact O-CA 3.2Å; H404-H407 VanDerWaalsContact O-CB 3.31Å; H404-H407 WeakPolarHBondContact O-CB 3.12Å; H404-H407 PolarHBondContact O-N 3.38Å; H404-L408 VanDerWaalsContact O-CG 3.26Å; H404-L408 WeakPolarHBondContact O-CG 3.28Å; H404-L408 PolarHBondContact O-N 3.08Å
405L42Very low43Very low35 Ų3567.6 Ų67.618%0.18333%0.329CS..Hα-helixtrans-56-39.1-176.6-157.983.9000112Y26 F401 F402 H407 L408 Q409Y26-L405 WeakPolarHBondContact OH-CA 3.48Å; Y26-L405 PolarHBondContact OH-N 3.2Å; F401-L405 HydrophobicContact CE1-CD1 4.07Å; F401-L405 HydrophobicContact CE1-CD2 4.14Å; F401-L405 HydrophobicContact CE1-CG 4.49Å; F401-L405 HydrophobicContact CE2-CD1 4.14Å; F401-L405 HydrophobicContact CZ-CD1 3.64Å; F401-L405 HydrophobicContact CZ-CD2 4.46Å; F401-L405 WeakPolarHBondContact O-CB 3.19Å; F401-L405 PolarHBondContact O-N 3.33Å; F402-L405 HydrophobicContact CD1-CB 4.32Å; F402-L405 HydrophobicContact CD1-CD2 3.97Å; F402-L405 HydrophobicContact CE1-CD2 4.01Å; F402-L405 PolarHBondContact O-N 3.16Å; L405-H407 VanDerWaalsContact C-N 3.26Å; L405-H407 PolarHBondContact O-N 3Å; L405-L408 PolarHBondContact O-N 3.45Å; L405-Q409 HydrophobicContact CD1-CG 4.49Å; L405-Q409 HydrophobicContact CG-CG 4.24Å; L405-Q409 WeakPolarHBondContact O-CB 3.24Å; L405-Q409 PolarHBondContact O-N 3.49Å
406F45.4Very low43.2Very low47 Ų4766.6 Ų66.621%0.20632%0.319CS..Hα-helixtrans-58.2-38.7174.3-180-111.2000112.2A95 I152 F402 H404 S410A95-F406 HydrophobicContact CB-CE1 3.89Å; I152-F406 HydrophobicContact CD1-CD2 3.95Å; I152-F406 HydrophobicContact CD1-CE1 3.99Å; I152-F406 HydrophobicContact CD1-CE2 3.12Å; I152-F406 HydrophobicContact CD1-CZ 3.15Å; I152-F406 HydrophobicContact CG1-CD2 3.92Å; I152-F406 HydrophobicContact CG1-CE1 4.31Å; I152-F406 HydrophobicContact CG1-CE2 3.62Å; I152-F406 HydrophobicContact CG1-CG 4.46Å; I152-F406 HydrophobicContact CG1-CZ 3.84Å; F402-F406 WeakPolarHBondContact O-CB 3.49Å; F402-F406 PolarHBondContact O-N 3.22Å; H404-F406 PolarHBondContact O-N 3.44Å; H404-F406 VanDerWaalsContact O-N 3.13Å; F406-S410 WeakPolarHBondContact O-CB 3.45Å; F406-S410 PolarHBondContact O-N 3.48Å
407H48.7Very low43.1Very low19 Ų1966 Ų669%0.08832%0.316CS..Hα-helixtrans-75.1-33.5177.8-6018.6000112Y98 N99 D403 H404 L405Y98-H407 AromaticContact CD1-CE1 3.78Å; N99-H407 PolarHBondContact ND2-CD2 3.49Å; N99-H407 PolarHBondContact OD1-CD2 2.94Å; N99-H407 VanDerWaalsContact OD1-CD2 3.31Å; N99-H407 PolarHBondContact OD1-NE2 3.4Å; D403-H407 PolarHBondContact O-CE1 3.39Å; D403-H407 PolarHBondContact O-ND1 3.35Å; H404-H407 WeakPolarHBondContact O-CA 3.2Å; H404-H407 VanDerWaalsContact O-CB 3.31Å; H404-H407 WeakPolarHBondContact O-CB 3.12Å; H404-H407 PolarHBondContact O-N 3.38Å; L405-H407 VanDerWaalsContact C-N 3.26Å; L405-H407 PolarHBondContact O-N 3Å
408L46.5Very low42.8Very low24 Ų2465.4 Ų65.413%0.12632%0.318CS..Hα-helixtrans-80.4-26.8-176.2-52.3-176.1000113.9N22 Y26 H404 L405N22-L408 HydrophobicContact CB-CD1 3.56Å; N22-L408 HydrophobicContact CB-CD2 3.77Å; N22-L408 HydrophobicContact CB-CG 4.14Å; N22-L408 WeakPolarHBondContact ND2-CD2 3.31Å; N22-L408 WeakPolarHBondContact OD1-CD2 3.43Å; Y26-L408 HydrophobicContact CD2-CD1 4.21Å; Y26-L408 HydrophobicContact CE2-CD1 3.21Å; Y26-L408 WeakPolarHBondContact OH-CD1 3.45Å; H404-L408 VanDerWaalsContact O-CG 3.26Å; H404-L408 WeakPolarHBondContact O-CG 3.28Å; H404-L408 PolarHBondContact O-N 3.08Å; L405-L408 PolarHBondContact O-N 3.45Å
409Q41.7Very low42.5Very low86 Ų8665.7 Ų65.740%0.40232%0.322SS..Hα-helixtrans-114.3-4-167.6-67.3-169-13.100114.9L405 K411 L413L405-Q409 HydrophobicContact CD1-CG 4.49Å; L405-Q409 HydrophobicContact CG-CG 4.24Å; L405-Q409 WeakPolarHBondContact O-CB 3.24Å; L405-Q409 PolarHBondContact O-N 3.49Å; Q409-K411 PolarHBondContact O-N 3.27Å; Q409-L413 HydrophobicContact CB-CD1 3.87Å; Q409-L413 VanDerWaalsContact CD-CD1 3.5Å; Q409-L413 HydrophobicContact CG-CD1 3.7Å; Q409-L413 HydrophobicContact CG-CG 4.37Å
410S45.7Very low42.3Very low33 Ų3369.8 Ų69.823%0.23135%0.349CS..THydrogen-bonded Turntrans-55-14.7-162.563.60000118.1H92 F406H92-S410 PolarHBondContact CE1-OG 2.88Å; F406-S410 WeakPolarHBondContact O-CB 3.45Å; F406-S410 PolarHBondContact O-N 3.48Å
411K48.8Very low42.2Very low119 Ų11973.7 Ų73.752%0.51737%0.367SS..THydrogen-bonded Turntrans-174.7-8.3158.2-117.4164.7-169.4149.20115E91 Q409 L413E91-K411 IonicContact OE1-NZ 3.89Å; E91-K411 PolarHBondContact OE1-NZ 2.73Å; E91-K411 IonicContact OE2-NZ 2.67Å; E91-K411 PolarHBondContact OE2-NZ 2.61Å; Q409-K411 PolarHBondContact O-N 3.27Å; K411-L413 PolarHBondContact O-N 3.06Å; K411-L413 VanDerWaalsContact O-N 3.11Å
412R42.6Very low42.2Very low33 Ų3375 Ų7513%0.12538%0.378CS..Hα-helixtrans-62.6-18175.9-74.9-172104.4143.916.5111.9D49 D414 D415 Q416D49-R412 IonicContact OD2-CZ 2.71Å; D49-R412 IonicContact OD2-NH1 2.6Å; D49-R412 IonicContact OD2-NH2 3.42Å; D49-R412 PolarHBondContact OD2-NH2 3.5Å; R412-D414 VanDerWaalsContact C-N 3.28Å; R412-D414 PolarHBondContact O-N 3.24Å; R412-D415 CarbonylContact O-C 3.52Å; R412-D415 WeakPolarHBondContact O-CA 3.38Å; R412-D415 PolarHBondContact O-N 2.91Å; R412-Q416 HydrophobicContact CB-CG 4.1Å; R412-Q416 WeakPolarHBondContact O-CA 3.28Å; R412-Q416 WeakPolarHBondContact O-CB 3.34Å; R412-Q416 VanDerWaalsContact O-CD 3.28Å; R412-Q416 WeakPolarHBondContact O-CG 3.47Å; R412-Q416 PolarHBondContact O-N 3.44Å
413L38.9Very low41.8Very low74 Ų7476.7 Ų76.739%0.38739%0.389SS..Hα-helixtrans-56.5-36.2-179.3-100.9172.6000114.6Q409 K411 Q416 R417Q409-L413 HydrophobicContact CB-CD1 3.87Å; Q409-L413 VanDerWaalsContact CD-CD1 3.5Å; Q409-L413 HydrophobicContact CG-CD1 3.7Å; Q409-L413 HydrophobicContact CG-CG 4.37Å; K411-L413 PolarHBondContact O-N 3.06Å; K411-L413 VanDerWaalsContact O-N 3.11Å; L413-Q416 VanDerWaalsContact CG-OE1 3.26Å; L413-Q416 WeakPolarHBondContact O-CB 3.31Å; L413-Q416 PolarHBondContact O-N 3.41Å; L413-R417 PolarHBondContact O-N 3.28Å
414D35.9Very low41.2Very low127 Ų12778.1 Ų78.168%0.67940%0.401SS*.Hα-helixtrans-75.8-31.4177.5-73.6-26.5000111.9R412 Q416R412-D414 VanDerWaalsContact C-N 3.28Å; R412-D414 PolarHBondContact O-N 3.24Å; D414-Q416 VanDerWaalsContact C-N 3.31Å
415D39.3Very low40.9Very low125 Ų12581.9 Ų81.967%0.66843%0.426SS*.Hα-helixtrans-76.1-16.9167.7-69.5-13.8000112.7R412R412-D415 CarbonylContact O-C 3.52Å; R412-D415 WeakPolarHBondContact O-CA 3.38Å; R412-D415 PolarHBondContact O-N 2.91Å
416Q41.2Very low40.4Very low41 Ų4185 Ų8519%0.19244%0.443CS..THydrogen-bonded Turntrans-90.3-2.9-174.3-76.6159.927.100113.4V15 R412 L413 D414 C418V15-Q416 HydrophobicContact CG1-CG 3.93Å; R412-Q416 HydrophobicContact CB-CG 4.1Å; R412-Q416 WeakPolarHBondContact O-CA 3.28Å; R412-Q416 WeakPolarHBondContact O-CB 3.34Å; R412-Q416 VanDerWaalsContact O-CD 3.28Å; R412-Q416 WeakPolarHBondContact O-CG 3.47Å; R412-Q416 PolarHBondContact O-N 3.44Å; L413-Q416 VanDerWaalsContact CG-OE1 3.26Å; L413-Q416 WeakPolarHBondContact O-CB 3.31Å; L413-Q416 PolarHBondContact O-N 3.41Å; D414-Q416 VanDerWaalsContact C-N 3.31Å; Q416-C418 PolarHBondContact O-N 3.26Å
417R37.4Very low39.9Very low205 Ų20593.2 Ų93.277%0.77447%0.473SS*.  trans-71.181.8163.3-65.8-173.5-174.8-166.52.7107.1L413 D419L413-R417 PolarHBondContact O-N 3.28Å; R417-D419 PolarHBondContact O-N 3.04Å
418C36.6Very low39.2Very low66 Ų6699.9 Ų99.945%0.44650%0.504SS..  trans-51.2113154.4-780000105.2Q416 P420Q416-C418 PolarHBondContact O-N 3.26Å; C418-P420 VanDerWaalsContact O-CD 3.3Å; C418-P420 WeakPolarHBondContact O-CD 3.48Å
419D38Very low38.7Very low84 Ų84102.9 Ų102.945%0.44953%0.527SS..  trans-49.4120.2167.6-174.1-19.9000105.8R417 N421 L422R417-D419 PolarHBondContact O-N 3.04Å; D419-N421 PolarHBondContact O-N 3.19Å; D419-N421 WeakPolarHBondContact OD1-CB 3.47Å; D419-N421 PolarHBondContact OD1-N 2.91Å; D419-N421 PolarHBondContact OD1-ND2 3.38Å; D419-L422 WeakPolarHBondContact O-CB 3.34Å; D419-L422 PolarHBondContact O-N 2.92Å
420P37.1Very low38Very low104 Ų104107.7 Ų107.768%0.67554%0.542SS*.G310 helixtrans-55.7-19-179.714.5-24.3000112.1C418 L422 I423C418-P420 VanDerWaalsContact O-CD 3.3Å; C418-P420 WeakPolarHBondContact O-CD 3.48Å; P420-L422 VanDerWaalsContact C-N 3.25Å; P420-L422 PolarHBondContact O-N 2.84Å; P420-I423 PolarHBondContact O-N 2.95Å
421N41.7Very low37.4Very low103 Ų103113.7 Ų113.755%0.55157%0.571SS**G310 helixtrans-71.2-10.8172.1-60.6-46.3000115D419 I423 S424D419-N421 PolarHBondContact O-N 3.19Å; D419-N421 WeakPolarHBondContact OD1-CB 3.47Å; D419-N421 PolarHBondContact OD1-N 2.91Å; D419-N421 PolarHBondContact OD1-ND2 3.38Å; N421-I423 VanDerWaalsContact C-N 3.34Å; N421-S424 WeakPolarHBondContact O-CB 3.26Å; N421-S424 PolarHBondContact O-N 2.89Å
422L44.2Very low36.6Very low119 Ų119114 Ų11462%0.62358%0.583SS**G310 helixtrans-78.8-20.3170.9-120.786.8000112.2D419 P420 S424D419-L422 WeakPolarHBondContact O-CB 3.34Å; D419-L422 PolarHBondContact O-N 2.92Å; P420-L422 VanDerWaalsContact C-N 3.25Å; P420-L422 PolarHBondContact O-N 2.84Å; L422-S424 VanDerWaalsContact C-N 3.26Å
423I35.7Very low36.3Very low111 Ų111121.1 Ų121.157%0.56962%0.617SS**G310 helixtrans-99.337169.8-41.2176.7000109.1M5 P420 N421 T425M5-I423 HydrophobicContact CE-CG2 4.23Å; P420-I423 PolarHBondContact O-N 2.95Å; N421-I423 VanDerWaalsContact C-N 3.34Å; I423-T425 PolarHBondContact O-N 3.23Å
424S34Very low36Very low61 Ų61123.4 Ų123.443%0.42763%0.634SS.*  trans-71112.8170.4179.70000108.1N421 L422 D426N421-S424 WeakPolarHBondContact O-CB 3.26Å; N421-S424 PolarHBondContact O-N 2.89Å; L422-S424 VanDerWaalsContact C-N 3.26Å; S424-D426 PolarHBondContact O-N 2.95Å; S424-D426 VanDerWaalsContact O-N 3.09Å
425T37.2Very low36.2Very low103 Ų103122.3 Ų122.363%0.63263%0.629SS**  trans-69.58.9175.442.30000113.9I423 W427I423-T425 PolarHBondContact O-N 3.23Å; T425-W427 PolarHBondContact O-N 3.46Å
426D32Very low36.2Very low102 Ų102120.4 Ų120.455%0.54563%0.63SS.*  trans-102.167.9-176.4-64.7-20.9000110.7S424 E428S424-D426 PolarHBondContact O-N 2.95Å; S424-D426 VanDerWaalsContact O-N 3.09Å; D426-E428 PolarHBondContact O-N 2.86Å; D426-E428 VanDerWaalsContact O-N 3.12Å
427W35Very low36Very low219 Ų219125.7 Ų125.783%0.8365%0.653SS**THydrogen-bonded Turntrans-63.3-8.7175.662.4-74.2000113.8T425T425-W427 PolarHBondContact O-N 3.46Å
428E34.1Very low36Very low159 Ų159120.7 Ų120.774%0.74364%0.641SS**THydrogen-bonded Turntrans-93.6-7.1-177.1-68.9-171.4162.400115.5D426D426-E428 PolarHBondContact O-N 2.86Å; D426-E428 VanDerWaalsContact O-N 3.12Å
429S36.2Very low36.1Very low86 Ų86124.7 Ų124.760%0.60165%0.653SS**SBendtrans-112.6-2.1-172.1690000117.6N431S429-N431 PolarHBondContact O-N 3.19Å
430R26.8Very low36.1Very low188 Ų188124.7 Ų124.771%0.70966%0.66SS**  trans-90.835.2-175.5-80.3-169.3178.9172.75.2116.4
431N31.8Very low36Very low159 Ų159124.9 Ų124.985%0.8565%0.654SS**  trans-106.118.9174.5-107.3-8000115.3S429S429-N431 PolarHBondContact O-N 3.19Å
432V33.7Very low35.7Very low125 Ų125126.1 Ų126.176%0.75866%0.656SS**SBendtrans-135.2103.3-179.2-1650000110.3
433E35.8Very low35.5Very low183 Ų183129.1 Ų129.186%0.85567%0.667SS**SBendtrans150.710.6143.1-80.9-171.317100116.5
434T32.5Very low35.7Very low121 Ų121129.8 Ų129.874%0.74267%0.672SS**SBendtrans-88.91.3169.420.30000115.4
435N39.4Very low36.1Very low105 Ų105134.3 Ų134.356%0.56169%0.686SS**Hα-helixtrans-91.3-7.1-172.4-87.6-26000116.9Q439N435-Q439 WeakPolarHBondContact O-CB 3.26Å; N435-Q439 WeakPolarHBondContact O-CG 3.43Å; N435-Q439 PolarHBondContact O-N 3.3Å
436A40.4Very low36.5Very low84 Ų84136.9 Ų136.969%0.69470%0.696SS**Hα-helixtrans-75.8-30.2178.300000113.1
437F36.5Very low37Very low153 Ų153135 Ų13567%0.67169%0.691SS**Hα-helixtrans-80.3-40.2177.9-172.2-107.8000112S440 L441F437-S440 PolarHBondContact O-N 3.35Å; F437-S440 PolarHBondContact O-OG 2.96Å; F437-L441 HydrophobicContact CD1-CD1 4.43Å; F437-L441 HydrophobicContact CE1-CD1 4.02Å; F437-L441 HydrophobicContact CZ-CD1 4.49Å
438L37.2Very low37.7Very low100 Ų100127.4 Ų127.452%0.52467%0.667SS.*Hα-helixtrans-70.1-30.5178.9-68.9175000113.3S440 L441L438-S440 PolarHBondContact O-N 3.37Å; L438-L441 PolarHBondContact O-N 2.81Å
439Q38.5Very low38.8Very low150 Ų150125.8 Ų125.870%0.70166%0.663SS**Hα-helixtrans-66.9-24.2174.9-82.4177.7-11.500113.2N435 L441N435-Q439 WeakPolarHBondContact O-CB 3.26Å; N435-Q439 WeakPolarHBondContact O-CG 3.43Å; N435-Q439 PolarHBondContact O-N 3.3Å; Q439-L441 VanDerWaalsContact C-N 3.34Å
440S38.9Very low39.6Very low84 Ų84127.1 Ų127.159%0.58766%0.663SS**THydrogen-bonded Turntrans-80.3-13177.9730000114.4F437 L438F437-S440 PolarHBondContact O-N 3.35Å; F437-S440 PolarHBondContact O-OG 2.96Å; L438-S440 PolarHBondContact O-N 3.37Å
441L35.3Very low41Very low108 Ų108123.2 Ų123.257%0.56566%0.656SS**THydrogen-bonded Turntrans-94-7.6-178.8-76.5164.6000113.5F437 L438 Q439 E443F437-L441 HydrophobicContact CD1-CD1 4.43Å; F437-L441 HydrophobicContact CE1-CD1 4.02Å; F437-L441 HydrophobicContact CZ-CD1 4.49Å; L438-L441 PolarHBondContact O-N 2.81Å; Q439-L441 VanDerWaalsContact C-N 3.34Å; L441-E443 VanDerWaalsContact C-N 3.27Å; L441-E443 PolarHBondContact O-N 2.63Å
442H35.6Very low42.2Very low128 Ų128120.6 Ų120.659%0.59364%0.642SS**THydrogen-bonded Turntrans-80.88.2-170.8-124.3-58.7000115.8
443E38.6Very low43.2Very low182 Ų182119.8 Ų119.885%0.8563%0.633SS**THydrogen-bonded Turntrans-93.55.1-177.6-80-166.9163.400116L441L441-E443 VanDerWaalsContact C-N 3.27Å; L441-E443 PolarHBondContact O-N 2.63Å
444N39.5Very low44Very low126 Ų126115.1 Ų115.167%0.67461%0.613SS**  trans-130.482.9173.9-75.7-46.9000112.5D446N444-D446 PolarHBondContact O-N 2.84Å; N444-D446 VanDerWaalsContact O-N 3.08Å
445Q42.9Very low44.8Very low156 Ų156112 Ų11273%0.72960%0.599SS**THydrogen-bonded Turntrans-65.7-5.2-172.3-97.7177-2200117
446D45.6Very low45.2Very low157 Ų157108.3 Ų108.384%0.8459%0.586SS**THydrogen-bonded Turntrans-98.8-14.2-176.3-73.7-26.4000114.6N444N444-D446 PolarHBondContact O-N 2.84Å; N444-D446 VanDerWaalsContact O-N 3.08Å
447S43.6Very low45.4Very low63 Ų63110.4 Ų110.444%0.44158%0.583SS.*SBendtrans-88-21.6179.4620000114.4L451S447-L451 PolarHBondContact O-N 2.92Å
448D49.1Very low45.5Very low58 Ų58108.7 Ų108.731%0.3158%0.577SS.*Hα-helixtrans-74.2-34.9-171.2-73-15.9000112.4L450 L451 N452D448-L450 VanDerWaalsContact C-N 3.35Å; D448-L450 PolarHBondContact O-N 3.48Å; D448-L451 PolarHBondContact O-N 2.91Å; D448-N452 WeakPolarHBondContact O-CB 3.43Å; D448-N452 PolarHBondContact O-N 3.43Å; D448-N452 PolarHBondContact O-ND2 2.84Å
449D57.2Low45.7Very low126 Ų126106.6 Ų106.667%0.67457%0.57SS**Hα-helixtrans-64.6-38.8-179-78.6-10.5000112.4L453D449-L453 VanDerWaalsContact O-CB 3.28Å; D449-L453 WeakPolarHBondContact O-CB 3.27Å; D449-L453 PolarHBondContact O-N 3.43Å
450L53Low45.7Very low113 Ų113108.4 Ų108.459%0.59257%0.571SS**Hα-helixtrans-71.4-41.6177-176.663.9000111.5D448 L453 I454D448-L450 VanDerWaalsContact C-N 3.35Å; D448-L450 PolarHBondContact O-N 3.48Å; L450-L453 PolarHBondContact O-N 3.34Å; L450-I454 HydrophobicContact CD1-CD1 4.25Å; L450-I454 HydrophobicContact CG-CD1 4.04Å; L450-I454 VanDerWaalsContact O-CG1 3.27Å; L450-I454 WeakPolarHBondContact O-CG1 3.32Å; L450-I454 PolarHBondContact O-N 3.05Å
451L56.8Low45.9Very low106 Ų106112.3 Ų112.356%0.55557%0.573SS**Hα-helixtrans-65.8-41.4177.1-78.5165.6000111.5S447 D448 I454 A455S447-L451 PolarHBondContact O-N 2.92Å; D448-L451 PolarHBondContact O-N 2.91Å; L451-I454 PolarHBondContact O-N 3.43Å; L451-A455 WeakPolarHBondContact O-CB 3.24Å; L451-A455 PolarHBondContact O-N 2.98Å
452N57.3Low46.3Very low104 Ų104112.6 Ų112.656%0.55657%0.573SS**Hα-helixtrans-65.8-38.6176-72.6-31.4000111.7D448 A455 G456D448-N452 WeakPolarHBondContact O-CB 3.43Å; D448-N452 PolarHBondContact O-N 3.43Å; D448-N452 PolarHBondContact O-ND2 2.84Å; N452-A455 PolarHBondContact O-N 3.33Å; N452-G456 PolarHBondContact O-N 3.19Å
453L53.2Low46.6Very low109 Ų109110.3 Ų110.357%0.57157%0.565SS**Hα-helixtrans-65.9-44.7175-173.867.6000111.7D449 L450 G456 M457D449-L453 VanDerWaalsContact O-CB 3.28Å; D449-L453 WeakPolarHBondContact O-CB 3.27Å; D449-L453 PolarHBondContact O-N 3.43Å; L450-L453 PolarHBondContact O-N 3.34Å; L453-G456 PolarHBondContact O-N 3.34Å; L453-M457 HydrophobicContact CG-SD 4.3Å; L453-M457 WeakPolarHBondContact O-CB 3.44Å; L453-M457 VanDerWaalsContact O-CG 3.28Å; L453-M457 WeakPolarHBondContact O-CG 3.31Å; L453-M457 PolarHBondContact O-N 2.91Å
454I52.8Low46.8Very low85 Ų85108.8 Ų108.844%0.43656%0.562SS.*Hα-helixtrans-63.9-43.4176.3-68.6168.5000110.4L450 L451 M457 Q458L450-I454 HydrophobicContact CD1-CD1 4.25Å; L450-I454 HydrophobicContact CG-CD1 4.04Å; L450-I454 VanDerWaalsContact O-CG1 3.27Å; L450-I454 WeakPolarHBondContact O-CG1 3.32Å; L450-I454 PolarHBondContact O-N 3.05Å; L451-I454 PolarHBondContact O-N 3.43Å; I454-M457 PolarHBondContact O-N 3.38Å; I454-Q458 HydrophobicContact CG2-CG 4.21Å; I454-Q458 WeakPolarHBondContact O-CB 3.48Å; I454-Q458 WeakPolarHBondContact O-CG 3.38Å; I454-Q458 PolarHBondContact O-N 3.18Å
455A50.3Low46.8Very low55 Ų55109.9 Ų109.946%0.45556%0.563SS.*Hα-helixtrans-61.3-44.3177.100000111.4L451 N452 Q458 S459L451-A455 WeakPolarHBondContact O-CB 3.24Å; L451-A455 PolarHBondContact O-N 2.98Å; N452-A455 PolarHBondContact O-N 3.33Å; A455-Q458 PolarHBondContact O-N 2.83Å; A455-S459 WeakPolarHBondContact O-CB 3.41Å; A455-S459 PolarHBondContact O-N 2.94Å; A455-S459 PolarHBondContact O-OG 2.84Å
456G47.2Very low47.2Very low28 Ų28109.7 Ų109.729%0.28956%0.556SS.*Hα-helixtrans-67.6-35.4176.800000113.8N452 L453 S459 R460N452-G456 PolarHBondContact O-N 3.19Å; L453-G456 PolarHBondContact O-N 3.34Å; G456-S459 PolarHBondContact O-OG 2.9Å; G456-S459 VanDerWaalsContact O-OG 3.06Å; G456-R460 WeakPolarHBondContact O-CG 3.39Å; G456-R460 PolarHBondContact O-N 3.23Å
457M44.1Very low47.4Very low128 Ų128106.5 Ų106.563%0.63155%0.551SS**Hα-helixtrans-71.9-36.3175.1-73-178.171.800112.2L453 I454 R461L453-M457 HydrophobicContact CG-SD 4.3Å; L453-M457 WeakPolarHBondContact O-CB 3.44Å; L453-M457 VanDerWaalsContact O-CG 3.28Å; L453-M457 WeakPolarHBondContact O-CG 3.31Å; L453-M457 PolarHBondContact O-N 2.91Å; I454-M457 PolarHBondContact O-N 3.38Å; M457-R461 WeakPolarHBondContact O-CB 3.41Å; M457-R461 PolarHBondContact O-N 3.26Å
458Q39.2Very low48Very low116 Ų116111.2 Ų111.254%0.54257%0.572SS.*Hα-helixtrans-72.4-38.5175.5-70.3-85.4-14.800111.5I454 A455 R461 M462I454-Q458 HydrophobicContact CG2-CG 4.21Å; I454-Q458 WeakPolarHBondContact O-CB 3.48Å; I454-Q458 WeakPolarHBondContact O-CG 3.38Å; I454-Q458 PolarHBondContact O-N 3.18Å; A455-Q458 PolarHBondContact O-N 2.83Å; Q458-R461 PolarHBondContact O-N 2.96Å; Q458-M462 WeakPolarHBondContact O-CB 3.29Å; Q458-M462 VanDerWaalsContact O-CG 3.26Å; Q458-M462 WeakPolarHBondContact O-CG 3.49Å; Q458-M462 PolarHBondContact O-N 3.3Å
459S41.8Very low48.5Very low56 Ų56110.6 Ų110.639%0.39257%0.568SS.*Hα-helixtrans-65.8-48.2179.169.70000112A455 G456 R461 M462 D463A455-S459 WeakPolarHBondContact O-CB 3.41Å; A455-S459 PolarHBondContact O-N 2.94Å; A455-S459 PolarHBondContact O-OG 2.84Å; G456-S459 PolarHBondContact O-OG 2.9Å; G456-S459 VanDerWaalsContact O-OG 3.06Å; S459-R461 VanDerWaalsContact C-N 3.27Å; S459-R461 PolarHBondContact O-N 3.03Å; S459-M462 CarbonylContact O-C 3.59Å; S459-M462 WeakPolarHBondContact O-CA 3.28Å; S459-M462 WeakPolarHBondContact O-CB 3.38Å; S459-M462 PolarHBondContact O-N 3.02Å; S459-D463 PolarHBondContact O-N 3.43Å
460R37.9Very low48.9Very low188 Ų188108.3 Ų108.371%0.70956%0.56SS**Hα-helixtrans-58.8-40.1176.6-73.8-179.2-177.9167.92.7112.2G456 M462 D463 D464G456-R460 WeakPolarHBondContact O-CG 3.39Å; G456-R460 PolarHBondContact O-N 3.23Å; R460-M462 VanDerWaalsContact C-N 3.32Å; R460-M462 PolarHBondContact O-N 2.94Å; R460-D463 PolarHBondContact O-N 3.11Å; R460-D464 PolarHBondContact O-N 2.91Å
461R42.6Very low50Low166 Ų166111 Ų11163%0.62657%0.567SS**Hα-helixtrans-70.8-28.2177.9-165.3177.3167.1-160.5-5.8112.7M457 Q458 S459M457-R461 WeakPolarHBondContact O-CB 3.41Å; M457-R461 PolarHBondContact O-N 3.26Å; Q458-R461 PolarHBondContact O-N 2.96Å; S459-R461 VanDerWaalsContact C-N 3.27Å; S459-R461 PolarHBondContact O-N 3.03Å
462M44.6Very low50.8Low115 Ų115106.1 Ų106.157%0.56754%0.542SS*.Hα-helixtrans-74.3-39.5171.9-78.4-88.7-7200111.8Q458 S459 R460 Q465 R466Q458-M462 WeakPolarHBondContact O-CB 3.29Å; Q458-M462 VanDerWaalsContact O-CG 3.26Å; Q458-M462 WeakPolarHBondContact O-CG 3.49Å; Q458-M462 PolarHBondContact O-N 3.3Å; S459-M462 CarbonylContact O-C 3.59Å; S459-M462 WeakPolarHBondContact O-CA 3.28Å; S459-M462 WeakPolarHBondContact O-CB 3.38Å; S459-M462 PolarHBondContact O-N 3.02Å; R460-M462 VanDerWaalsContact C-N 3.32Å; R460-M462 PolarHBondContact O-N 2.94Å; M462-Q465 PolarHBondContact O-N 2.77Å; M462-R466 PolarHBondContact O-N 2.97Å
463D41.2Very low51.9Low80 Ų80102.7 Ų102.743%0.42853%0.525SS..Hα-helixtrans-68.5-39.2178.8-73-31000111.9S459 R460 Q465 R466S459-D463 PolarHBondContact O-N 3.43Å; R460-D463 PolarHBondContact O-N 3.11Å; D463-Q465 PolarHBondContact O-N 3.43Å; D463-Q465 VanDerWaalsContact O-N 3.11Å; D463-R466 WeakPolarHBondContact O-CB 3.25Å; D463-R466 PolarHBondContact O-N 3.46Å; D463-R466 IonicContact OD1-CZ 2.8Å; D463-R466 IonicContact OD1-NE 3.79Å; D463-R466 IonicContact OD1-NH1 3.54Å
464D43.5Very low52.9Low149 Ų14998.3 Ų98.380%0.79751%0.507SS*.THydrogen-bonded Turntrans-61.5-19.3173.9-74-19.3000113.3R460R460-D464 PolarHBondContact O-N 2.91Å
465Q38.6Very low53.9Low149 Ų14996.2 Ų96.270%0.69650%0.496SS*.THydrogen-bonded Turntrans-94.4-8.3175.7-68.3-173.110.600113.9M462 D463 A467M462-Q465 PolarHBondContact O-N 2.77Å; D463-Q465 PolarHBondContact O-N 3.43Å; D463-Q465 VanDerWaalsContact O-N 3.11Å; Q465-A467 PolarHBondContact O-N 2.89Å; Q465-A467 VanDerWaalsContact O-N 3.08Å
466R50.8Low54.7Low153 Ų15398.8 Ų98.858%0.57750%0.498SS*.SBendtrans-73.6104.9174.2-71.3177.5172.7-174.1-1108M462 D463 N468M462-R466 PolarHBondContact O-N 2.97Å; D463-R466 WeakPolarHBondContact O-CB 3.25Å; D463-R466 PolarHBondContact O-N 3.46Å; D463-R466 IonicContact OD1-CZ 2.8Å; D463-R466 IonicContact OD1-NE 3.79Å; D463-R466 IonicContact OD1-NH1 3.54Å; R466-N468 PolarHBondContact O-N 3.46Å; R466-N468 VanDerWaalsContact O-N 3.07Å
467A50.4Low55.2Low89 Ų89105.3 Ų105.374%0.73652%0.521SS*.  trans-52.3120.416400000107.8Q465 L469Q465-A467 PolarHBondContact O-N 2.89Å; Q465-A467 VanDerWaalsContact O-N 3.08Å; A467-L469 PolarHBondContact O-N 3.44Å
468N57.6Low55.4Low162 Ų162104.9 Ų104.987%0.86653%0.528SS*.  trans-54.8110.9174.8-79.6-27000107.7R466R466-N468 PolarHBondContact O-N 3.46Å; R466-N468 VanDerWaalsContact O-N 3.07Å
469L58.3Low55.4Low46 Ų46103.8 Ų103.824%0.24154%0.539CS..PPolyproline II helixtrans-64.2132.4171.1-78.4169.3000106.7K10 L43 A46 A467 L472 L475K10-L469 HydrophobicContact CD-CD1 4.37Å; L43-L469 HydrophobicContact CD2-CD1 4.04Å; A46-L469 HydrophobicContact CB-CD1 3.98Å; A46-L469 HydrophobicContact CB-CD2 3.86Å; A46-L469 HydrophobicContact CB-CG 4.23Å; A467-L469 PolarHBondContact O-N 3.44Å; L469-L472 HydrophobicContact CB-CD1 4.5Å; L469-L472 HydrophobicContact CD1-CD1 4.28Å; L469-L472 HydrophobicContact CD2-CD1 4.28Å; L469-L475 HydrophobicContact CD1-CD2 4.18Å
470P66.3Low55.3Low77 Ų77105.5 Ų105.550%0.556%0.556SS.*PPolyproline II helixtrans-61.1165.1168.828.2-32.5000109.4M42 L472M42-P470 HydrophobicContact CE-CG 3.26Å; P470-L472 WeakPolarHBondContact O-CG 3.45Å; P470-L472 PolarHBondContact O-N 3.3Å
471F75.1Confident55Low169 Ų169105.4 Ų105.474%0.74156%0.564SS**PPolyproline II helixtrans-51118178.2176.8-99.5000110.9P473F471-P473 HydrophobicContact CE1-CG 4.36Å
472L75.2Confident54.3Low4 Ų4106 Ų1062%0.02157%0.574CS.*  trans-113.6120.4177.7-72.8178.5000108.7Y39 M42 L43 L469 P470 G474 L475Y39-L472 HydrophobicContact CD1-CD2 3.41Å; Y39-L472 VanDerWaalsContact CD1-CD2 3.41Å; Y39-L472 HydrophobicContact CE1-CD2 4Å; Y39-L472 HydrophobicContact CG-CD2 4.05Å; M42-L472 HydrophobicContact CE-CD2 4.3Å; L43-L472 HydrophobicContact CD1-CD1 4.45Å; L43-L472 HydrophobicContact CD2-CD1 3.47Å; L43-L472 VanDerWaalsContact CD2-CD1 3.47Å; L43-L472 HydrophobicContact CG-CD1 3.75Å; L469-L472 HydrophobicContact CB-CD1 4.5Å; L469-L472 HydrophobicContact CD1-CD1 4.28Å; L469-L472 HydrophobicContact CD2-CD1 4.28Å; P470-L472 WeakPolarHBondContact O-CG 3.45Å; P470-L472 PolarHBondContact O-N 3.3Å; L472-G474 PolarHBondContact O-N 3.48Å; L472-G474 VanDerWaalsContact O-N 3.11Å; L472-L475 HydrophobicContact CB-CB 4.14Å; L472-L475 PolarHBondContact O-N 2.91Å
473P78.8Confident53.9Low33 Ų33106.1 Ų106.121%0.21458%0.584CS.*THydrogen-bonded Turntrans-56.4116.5-177.2-26.134000112.8V3 Y17 Y39 F471V3-P473 HydrophobicContact CG1-CB 4.01Å; V3-P473 WeakPolarHBondContact CG1-O 3.41Å; Y17-P473 WeakPolarHBondContact CE1-O 3.44Å; Y17-P473 PolarHBondContact OH-O 3.39Å; Y39-P473 HydrophobicContact CE2-CG 4.22Å; F471-P473 HydrophobicContact CE1-CG 4.36Å
474G73.9Confident53.5Low17 Ų17110 Ų11018%0.17560%0.604CS.*THydrogen-bonded Turntrans91.43.5179.500000115.5V3 G6 T7 L472V3-G474 WeakPolarHBondContact O-CA 3.48Å; G6-G474 CarbonylContact C-O 3.38Å; G6-G474 WeakPolarHBondContact CA-O 3.4Å; T7-G474 PolarHBondContact N-O 2.94Å; L472-G474 PolarHBondContact O-N 3.48Å; L472-G474 VanDerWaalsContact O-N 3.11Å
475L74Confident52.6Low40 Ų40109.4 Ų109.421%0.20961%0.61CS.*BIsolated β-bridgetrans-81.8123.3163.3-171.967.2000108.7K10 L13 L469 L472K10-L475 HydrophobicContact CG-CD1 3.97Å; L13-L475 HydrophobicContact CD2-CB 3.78Å; L13-L475 HydrophobicContact CD2-CD1 3.97Å; L13-L475 HydrophobicContact CD2-CG 4.48Å; L469-L475 HydrophobicContact CD1-CD2 4.18Å; L472-L475 HydrophobicContact CB-CB 4.14Å; L472-L475 PolarHBondContact O-N 2.91Å
476Q67.3Low52.1Low109 Ų109107.1 Ų107.151%0.50961%0.611SS.*PPolyproline II helixtrans-77125.8172.5-72.6-179.7-500109.5M5 T7M5-Q476 PolarHBondContact O-NE2 3.39Å; T7-Q476 PolarHBondContact O-N 3.34Å
477E57.9Low50.9Low165 Ų165107.3 Ų107.377%0.77162%0.62SS**PPolyproline II helixtrans-72.1133.9168.1-74.4-175.5175.400108.7A479E477-A479 PolarHBondContact O-N 3.44Å
478P48.5Very low49.8Very low119 Ų119110.1 Ų110.177%0.77362%0.623SS**PPolyproline II helixtrans-57.9126.117223-29.6000107.9A480P478-A480 PolarHBondContact O-N 3.33Å
479A39.3Very low48.5Very low94 Ų94105.7 Ų105.778%0.77762%0.616SS**  trans-48.3115.717800000108.1E477 E481E477-A479 PolarHBondContact O-N 3.44Å; A479-E481 PolarHBondContact O-N 3.26Å
480A38.9Very low47.1Very low91 Ų91111.7 Ų111.775%0.75265%0.648SS**  trans-53.9111.7174.100000106.7P478 E482P478-A480 PolarHBondContact O-N 3.33Å; A480-E482 PolarHBondContact O-N 2.79Å
481E32.5Very low45.3Very low187 Ų187119.3 Ų119.387%0.87467%0.667SS**  trans-53.1111.8171.4-73.2-176.4166.500106.3A479 P483A479-E481 PolarHBondContact O-N 3.26Å; E481-P483 WeakPolarHBondContact O-CD 3.32Å
482E27.7Very low43.1Very low178 Ų178119 Ų11983%0.83267%0.671SS**  trans-53.9119.2177.2-74.1-168.6161.900107.2A480 N484A480-E482 PolarHBondContact O-N 2.79Å; E482-N484 PolarHBondContact O-N 2.86Å
483P36.7Very low40.9Very low118 Ų118123.1 Ų123.177%0.76671%0.705SS**  trans-66.7110.6177.725.8-29.2000105.9E481 C485E481-P483 WeakPolarHBondContact O-CD 3.32Å; P483-C485 VanDerWaalsContact C-N 3.28Å; P483-C485 PolarHBondContact O-N 3.27Å
484N31.8Very low38.5Very low162 Ų162129.8 Ų129.887%0.86673%0.734SS**  trans-45.895.5172.1-99.7-28.9000108.9E482 S486E482-N484 PolarHBondContact O-N 2.86Å; N484-S486 PolarHBondContact O-N 2.7Å
485C24.7Very low36.3Very low136 Ų136138 Ų13892%0.91977%0.767SS**  trans-8191.2-172.2-157.40000106.9P483P483-C485 VanDerWaalsContact C-N 3.28Å; P483-C485 PolarHBondContact O-N 3.27Å
486S28Very low34Very low101 Ų101142 Ų14271%0.70679%0.794SS**  trans-128.698.7166.347.80000110N484N484-S486 PolarHBondContact O-N 2.7Å
487M26.4Very low32.1Very low156 Ų156145.9 Ų145.977%0.76881%0.812SS**  trans67.4120.8146.2-61.3-71.4-86.800120.3
488D27.5Very low30.7Very low148 Ų148145.5 Ų145.579%0.79181%0.814SS**  trans78.7112.6140.1-64.9-25.1000120.5
489G29.7Very low29.7Very low70 Ų70145.4 Ų145.472%0.72281%0.807SS**  trans149.880.2148.800000115.1R491G489-R491 PolarHBondContact O-N 3.37Å
490N28Very low29.2Very low172 Ų172151.1 Ų151.192%0.9281%0.808SS**  trans-22.1104.4159.6-103.3-16.2000113.8
491R29.1Very low28.9Very low237 Ų237150.4 Ų150.489%0.89480%0.797SS**  trans-133108.4156.9-75-169.2179.9-173.11.6109.1G489 A493G489-R491 PolarHBondContact O-N 3.37Å; R491-A493 PolarHBondContact O-N 3.36Å; R491-A493 VanDerWaalsContact O-N 3.09Å
492I29.9Very low28.6Very low162 Ų162152.4 Ų152.483%0.83180%0.797SS**  trans-46.6109.1174.7-65.7159.4000108.8Q494I492-Q494 PolarHBondContact O-N 2.92Å; I492-Q494 VanDerWaalsContact O-N 3.12Å
493A29.4Very low28.6Very low90 Ų90151.9 Ų151.974%0.74480%0.799SS**  trans-69.6102.8174.500000108.8R491 Q495R491-A493 PolarHBondContact O-N 3.36Å; R491-A493 VanDerWaalsContact O-N 3.09Å; A493-Q495 PolarHBondContact O-N 3.49Å; A493-Q495 VanDerWaalsContact O-N 3.14Å
494Q28Very low28.2Very low174 Ų174153.2 Ų153.281%0.81380%0.799SS**  trans-69.1101.5158.7-73.3-179.9-10.200107I492 T496I492-Q494 PolarHBondContact O-N 2.92Å; I492-Q494 VanDerWaalsContact O-N 3.12Å; Q494-T496 PolarHBondContact O-N 3.3Å
495Q26.9Very low28.2Very low188 Ų188150.7 Ų150.788%0.87979%0.792SS**  trans-57.3100.6165-84.3170.2-26.900108A493 E497A493-Q495 PolarHBondContact O-N 3.49Å; A493-Q495 VanDerWaalsContact O-N 3.14Å; Q495-E497 PolarHBondContact O-N 2.92Å
496T26.7Very low28.3Very low124 Ų124154.2 Ų154.276%0.76179%0.792SS**  trans-80.3103.9162.624.70000105.9Q494 I498Q494-T496 PolarHBondContact O-N 3.3Å; T496-I498 PolarHBondContact O-N 3.48Å; T496-I498 VanDerWaalsContact O-N 3.1Å
497E27.1Very low28.3Very low192 Ų192155.8 Ų155.890%0.89780%0.799SS**  trans-47.1115.8167-83.2174.514100108.9Q495 D499Q495-E497 PolarHBondContact O-N 2.92Å; E497-D499 PolarHBondContact O-N 2.82Å
498I27.7Very low28.4Very low157 Ų157151.8 Ų151.881%0.80580%0.798SS**  trans-68.5101171.2-64.9169.6000106.2T496 R500T496-I498 PolarHBondContact O-N 3.48Å; T496-I498 VanDerWaalsContact O-N 3.1Å; I498-R500 PolarHBondContact O-N 3.5Å
499D26.7Very low28.3Very low117 Ų117152.6 Ų152.663%0.62680%0.801SS**  trans-53.7102.3173.8-169.8-13000109.8E497 S501E497-D499 PolarHBondContact O-N 2.82Å; D499-S501 PolarHBondContact O-N 3.37Å; D499-S501 WeakPolarHBondContact OD1-CB 3.39Å; D499-S501 PolarHBondContact OD1-N 3.4Å; D499-S501 PolarHBondContact OD1-OG 3.34Å; D499-S501 PolarHBondContact OD2-OG 2.82Å
500R29.6Very low28.2Very low214 Ų214157.3 Ų157.381%0.80881%0.809SS**G310 helixtrans-67.211.2-179.7-78.4-175.2176.21750.4113.5I498 R502I498-R500 PolarHBondContact O-N 3.5Å; R500-R502 VanDerWaalsContact C-N 3.32Å; R500-R502 PolarHBondContact O-N 3.02Å
501S33Very low28Very low75 Ų75158.4 Ų158.452%0.52481%0.806SS.*G310 helixtrans-82.41.6176.463.50000115.1D499 L503D499-S501 PolarHBondContact O-N 3.37Å; D499-S501 WeakPolarHBondContact OD1-CB 3.39Å; D499-S501 PolarHBondContact OD1-N 3.4Å; D499-S501 PolarHBondContact OD1-OG 3.34Å; D499-S501 PolarHBondContact OD2-OG 2.82Å; S501-L503 VanDerWaalsContact C-N 3.3Å; S501-L503 PolarHBondContact O-N 3.31Å
502R26.4Very low27.9Very low230 Ų230152.7 Ų152.787%0.86880%0.802SS**G310 helixtrans-80.98.7177.4-82.9-169.1-177.3176.93.5116.8R500 L504R500-R502 VanDerWaalsContact C-N 3.32Å; R500-R502 PolarHBondContact O-N 3.02Å; R502-L504 PolarHBondContact O-N 2.97Å
503L27.8Very low27.7Very low166 Ų166153.6 Ų153.687%0.86980%0.803SS**  trans-79.366.9158.4-76.4165.8000109.2S501 P505S501-L503 VanDerWaalsContact C-N 3.3Å; S501-L503 PolarHBondContact O-N 3.31Å; L503-P505 WeakPolarHBondContact O-CD 3.14Å
504L27.1Very low27.4Very low146 Ų146158.4 Ų158.476%0.76481%0.807SS**  trans-68.6123.2174.6-75.2170.5000109.5R502R502-L504 PolarHBondContact O-N 2.97Å
505P31.5Very low27.2Very low110 Ų110158.8 Ų158.871%0.71481%0.811SS**  trans-73.8129.5172.828.7-28.8000110.1L503L503-P505 WeakPolarHBondContact O-CD 3.14Å
506F27.2Very low27Very low210 Ų210156.9 Ų156.992%0.92181%0.807SS**  trans17.9104.8155.7-70.8-87.1000118.4
507P28.1Very low27.1Very low133 Ų133159.7 Ų159.786%0.86481%0.811SS**  trans-104.2118.5156.632.5-20.5000110.3
508G29Very low26.8Very low72 Ų72162.1 Ų162.174%0.74281%0.812SS**  trans-168.741.9178.100000113.1L510G508-L510 PolarHBondContact O-N 3.4Å
509L25.2Very low26.8Very low165 Ų165160.9 Ų160.986%0.86481%0.813SS**  trans-69.488.6176-166.290.4000109.9K511L509-K511 PolarHBondContact O-N 2.87Å
510L28Very low26.6Very low170 Ų170159.7 Ų159.789%0.8982%0.819SS**  trans-81.2108.3162.4-91.5153000108.2G508 S512G508-L510 PolarHBondContact O-N 3.4Å; L510-S512 PolarHBondContact O-N 3.12Å; L510-S512 VanDerWaalsContact O-N 3.1Å
511K24.4Very low26.5Very low194 Ų194158.4 Ų158.484%0.84382%0.822SS**  trans-48.4108.1176.1-68169.9174.3175.80111L509L509-K511 PolarHBondContact O-N 2.87Å
512S26Very low26.1Very low118 Ų118161.1 Ų161.183%0.82584%0.835SS**  trans-100121152.759.80000108L510L510-S512 PolarHBondContact O-N 3.12Å; L510-S512 VanDerWaalsContact O-N 3.1Å
513E25Very low26.1Very low180 Ų180155.5 Ų155.584%0.84183%0.829SS**  trans-70.3128.8179.4-69-179.8139.700110.7
514K23Very low25.8Very low191 Ų191153.4 Ų153.483%0.8383%0.826SS**  trans49.797.9148.9-61.7-178.1178.9177.80117.6
515M24.6Very low25.6Very low182 Ų182154.5 Ų154.590%0.89783%0.827SS**  trans-134.6104.3140.4-113.9174.970.600108.4E517M515-E517 PolarHBondContact O-N 3.43Å
516D23.7Very low25.2Very low149 Ų149157.7 Ų157.780%0.79784%0.835SS**  trans-67.1108.7172.9-82.1-50000109.7
517E27.7Very low25.1Very low182 Ų182156.4 Ų156.485%0.8583%0.832SS**  trans-135.4107153.7-94.6-177.1175.300109.7M515 T519M515-E517 PolarHBondContact O-N 3.43Å; E517-T519 PolarHBondContact O-N 3.12Å
518R21.5Very low24.9Very low243 Ų243155 Ų15592%0.91783%0.825SS**  trans-73.2110.1176.4-68.8172.1174.9178-2.4109.5
519T27.3Very low24.6Very low132 Ų132159.8 Ų159.881%0.8183%0.828SS**  trans-141.5103.4150.3340000108.8E517E517-T519 PolarHBondContact O-N 3.12Å
520A21.8Very low24.4Very low92 Ų92157.3 Ų157.376%0.7682%0.823SS**  trans-72122.3172.200000109.6
521H28Very low24.2Very low186 Ų186156.3 Ų156.386%0.86182%0.818SS**  trans-137.9128.2149.9-84.1-65.4000109.2
522T25.4Very low24.2Very low133 Ų133154.7 Ų154.782%0.81681%0.813SS**  trans-65.6146.9-165.6-30.30000112.4
523P26.7Very low24Very low112 Ų112158 Ų15873%0.72782%0.818SS**  trans-83.5130.8-172.79.67.5000111.9
524C21.8Very low23.9Very low121 Ų121158.3 Ų158.382%0.81882%0.817SS**  trans-83.7114.6171.4-158.90000109.2M526C524-M526 PolarHBondContact O-N 3.21Å
525H21.1Very low23.9Very low169 Ų169153.8 Ų153.878%0.78282%0.815SS**  trans-67.3117.6172-82.7-89.3000109.9
526M24.1Very low24Very low178 Ų178151 Ų15188%0.87781%0.81SS**  trans-118.2103.5162.7-79-97.1-79.200106.7C524C524-M526 PolarHBondContact O-N 3.21Å
527E24.6Very low24Very low182 Ų182152.5 Ų152.585%0.8581%0.812SS**  trans-68.6133.2177-71.517715800110.1E529E527-E529 PolarHBondContact O-N 3.04Å
528S23.5Very low24Very low103 Ų103151.9 Ų151.972%0.7282%0.815SS**  trans-90.491.8-175.81730000109.6C530S528-C530 PolarHBondContact O-N 3.24Å
529E23.9Very low24.2Very low173 Ų173145.2 Ų145.281%0.80881%0.806SS**  trans-82.599.6164.4-78.8-172156.600109.7E527 L531E527-E529 PolarHBondContact O-N 3.04Å; E529-L531 PolarHBondContact O-N 3.08Å; E529-L531 VanDerWaalsContact O-N 3.09Å
530C21.2Very low24.2Very low114 Ų114148.7 Ų148.777%0.7781%0.813SS**  trans-72.391.1170.5-66.30000109.9S528S528-C530 PolarHBondContact O-N 3.24Å
531L23.8Very low24.4Very low149 Ų149148.8 Ų148.878%0.7881%0.814SS**  trans-88118.3167.2-81.5162.2000110.2E529 M533E529-L531 PolarHBondContact O-N 3.08Å; E529-L531 VanDerWaalsContact O-N 3.09Å; L531-M533 PolarHBondContact O-N 3.31Å; L531-M533 VanDerWaalsContact O-N 3.11Å
532E23.3Very low24.3Very low159 Ų159148.2 Ų148.274%0.74381%0.811SS**  trans-56.3105.2175.8-70.7178148.700111.3K534E532-K534 PolarHBondContact O-N 2.99Å
533M22.9Very low24.3Very low188 Ų188148.9 Ų148.993%0.92681%0.81SS**  trans-7395.8167.8-85.8-178.2-86.700109.6L531L531-M533 PolarHBondContact O-N 3.31Å; L531-M533 VanDerWaalsContact O-N 3.11Å
534K22.3Very low24.1Very low187 Ų187152.2 Ų152.281%0.81382%0.816SS**  trans-63134.1156.2-84178.8174.5174.80108.8E532 P536E532-K534 PolarHBondContact O-N 2.99Å; K534-P536 VanDerWaalsContact O-CD 3.3Å; K534-P536 WeakPolarHBondContact O-CD 3.47Å; K534-P536 VanDerWaalsContact O-N 3.16Å
535A24Very low24.3Very low95 Ų95153.8 Ų153.879%0.78581%0.811SS**  trans-50.4114.3176.800000110.9
536P26.1Very low24.4Very low124 Ų124152.2 Ų152.281%0.80581%0.813SS**  trans-81.6124.4175.96.110.2000109.1K534K534-P536 VanDerWaalsContact O-CD 3.3Å; K534-P536 WeakPolarHBondContact O-CD 3.47Å; K534-P536 VanDerWaalsContact O-N 3.16Å
537Q24Very low24.3Very low180 Ų180149 Ų14984%0.84181%0.809SS**  trans-62.9130.5165.8-68.7174.7-44.700109.5S539Q537-S539 PolarHBondContact O-N 3.32Å
538D26.3Very low24.4Very low169 Ų169146.6 Ų146.690%0.90481%0.806SS**  trans13.591.4151.9-55.8-29.5000116.5
539S25.6Very low24.6Very low104 Ų104146.6 Ų146.673%0.72781%0.806SS**  trans-145.7111.3151.365.50000108.5Q537 A541Q537-S539 PolarHBondContact O-N 3.32Å; S539-A541 PolarHBondContact O-N 3.06Å; S539-A541 VanDerWaalsContact O-N 3.14Å
540E27.4Very low25Very low204 Ų204142.8 Ų142.895%0.95380%0.799SS**  trans-43.2110171-63.3166.6153.200110.8
541A25.7Very low26.1Very low94 Ų94141.3 Ų141.378%0.77779%0.794SS**  trans-129.380.9168.100000107.2S539S539-A541 PolarHBondContact O-N 3.06Å; S539-A541 VanDerWaalsContact O-N 3.14Å
542E25.9Very low27.7Very low174 Ų174141.9 Ų141.981%0.81379%0.793SS**  trans6.5115.4153.6-65.2175.8155.900116Q544E542-Q544 VanDerWaalsContact C-N 3.34Å; E542-Q544 PolarHBondContact O-N 3.27Å
543D25.7Very low30.2Very low147 Ų147136.4 Ų136.479%0.78677%0.772SS**  trans-46.392.9161-78.8-51.2000110.9Q545D543-Q545 PolarHBondContact O-N 3.13Å
544Q22.4Very low33.2Very low183 Ų183128.7 Ų128.786%0.85574%0.735SS**  trans-76.561.2156.7-69.6-175.66.400108.6E542 T546E542-Q544 VanDerWaalsContact C-N 3.34Å; E542-Q544 PolarHBondContact O-N 3.27Å; Q544-T546 PolarHBondContact O-N 3.01Å
545Q26.5Very low36.4Very low154 Ų154119.8 Ų119.872%0.7270%0.696SS**  trans-72.4111.8156.8-79-176.14.600106.4D543 S547D543-Q545 PolarHBondContact O-N 3.13Å; Q545-S547 VanDerWaalsContact C-N 3.26Å; Q545-S547 PolarHBondContact O-N 3.2Å
546T23.7Very low39.2Very low135 Ų135116.3 Ų116.383%0.82866%0.664SS**  trans-52.491.4169.133.20000109.2Q544 V548Q544-T546 PolarHBondContact O-N 3.01Å; T546-V548 PolarHBondContact O-N 3Å
547S22.7Very low41.6Very low111 Ų111110.9 Ų110.978%0.77663%0.629SS**  trans-74.565.3178550000110.4Q545 S549Q545-S547 VanDerWaalsContact C-N 3.26Å; Q545-S547 PolarHBondContact O-N 3.2Å; S547-S549 PolarHBondContact O-N 3.23Å
548V25.5Very low43.5Very low132 Ų132108.6 Ų108.680%0.862%0.623SS**  trans-78.778.1145.9-169.30000104.7T546 S550T546-V548 PolarHBondContact O-N 3Å; V548-S550 PolarHBondContact O-N 3.48Å
549S27.2Very low45.1Very low103 Ų103105.4 Ų105.472%0.7260%0.603SS**  trans-59.785.2163.4163.50000106S547 A551S547-S549 PolarHBondContact O-N 3.23Å; S549-A551 PolarHBondContact O-N 2.83Å
550S33.4Very low46.8Very low93 Ų93102.1 Ų102.165%0.6558%0.576SS**  trans-59.299.6158.857.10000104.3V548 E552V548-S550 PolarHBondContact O-N 3.48Å; S550-E552 PolarHBondContact O-N 3.44Å
551A44.1Very low48.3Very low82 Ų8292.5 Ų92.568%0.67853%0.531SS*.  trans-49.4111.7172.400000106S549 C553S549-A551 PolarHBondContact O-N 2.83Å; A551-C553 PolarHBondContact O-N 3.48Å
552E56.4Low50Low162 Ų16288.5 Ų88.576%0.75750%0.496SS*.  trans-60110.1-173.1-77.7179.6156.100107.2S550 V554S550-E552 PolarHBondContact O-N 3.44Å; E552-V554 PolarHBondContact O-N 3.46Å
553C75.5Confident51.8Low44 Ų4482.5 Ų82.530%0.29747%0.466SS..  trans-70.4117.9176.5179.90000108.7D269 L271 A551 I556D269-C553 PolarHBondContact OD1-SG 3.12Å; D269-C553 VanDerWaalsContact OD1-SG 3.36Å; D269-C553 PolarHBondContact OD2-SG 3.07Å; D269-C553 VanDerWaalsContact OD2-SG 3.35Å; L271-C553 HydrophobicContact CB-CB 4.25Å; L271-C553 HydrophobicContact CD2-CB 3.73Å; L271-C553 HydrophobicContact CG-CB 4.5Å; A551-C553 PolarHBondContact O-N 3.48Å; C553-I556 WeakPolarHBondContact SG-CD1 3.43Å; C553-I556 WeakPolarHBondContact SG-CG1 3.28Å
554V86.1Confident53.6Low25 Ų2578 Ų7815%0.15244%0.439CS..  trans-104.6-23.6-172.6-65.50000113.3A231 Q235 L267 D269 E552A231-V554 HydrophobicContact CB-CB 4.06Å; A231-V554 HydrophobicContact CB-CG2 4.2Å; Q235-V554 PolarHBondContact NE2-O 3.41Å; L267-V554 HydrophobicContact CD1-CG2 4.26Å; D269-V554 HydrophobicContact CB-CG2 4.34Å; D269-V554 PolarHBondContact OD2-N 3.42Å; E552-V554 PolarHBondContact O-N 3.46Å
555T90.6Very high55.5Low0 Ų069.4 Ų69.40%040%0.399CS..SBendtrans-97.1-6.4-175.170.10000114.7A234 Q235 H260 A264 L267 D269 G272A234-T555 HydrophobicContact CB-CG2 3.74Å; Q235-T555 WeakPolarHBondContact CA-O 3.45Å; Q235-T555 WeakPolarHBondContact CG-O 3.1Å; Q235-T555 PolarHBondContact N-O 3.04Å; H260-T555 PolarHBondContact NE2-O 3.43Å; H260-T555 VanDerWaalsContact NE2-O 3.16Å; H260-T555 PolarHBondContact NE2-OG1 3.32Å; H260-T555 VanDerWaalsContact NE2-OG1 3.17Å; A264-T555 HydrophobicContact CB-CG2 4.25Å; L267-T555 HydrophobicContact CD1-CG2 3.64Å; D269-T555 HydrophobicContact CB-CG2 4.12Å; D269-T555 WeakPolarHBondContact OD2-CA 3.17Å; D269-T555 VanDerWaalsContact OD2-CB 3.25Å; D269-T555 WeakPolarHBondContact OD2-CB 3.34Å; D269-T555 WeakPolarHBondContact OD2-CG2 3.18Å; D269-T555 PolarHBondContact OD2-N 3.01Å; D269-T555 PolarHBondContact OD2-OG1 2.94Å; G272-T555 WeakPolarHBondContact CA-OG1 3.34Å
556I83.1Confident57.2Low22 Ų2263.6 Ų63.611%0.11337%0.37CS..SBendtrans-96.3129.2174.3-56.1172.7000108.5L271 R275 C553 F562L271-I556 HydrophobicContact CB-CD1 4.34Å; L271-I556 HydrophobicContact CD2-CD1 4.03Å; L271-I556 HydrophobicContact CG-CD1 3.71Å; R275-I556 HydrophobicContact CB-CD1 4.07Å; R275-I556 HydrophobicContact CG-CD1 3.35Å; R275-I556 HydrophobicContact CG-CG1 4.28Å; C553-I556 WeakPolarHBondContact SG-CD1 3.43Å; C553-I556 WeakPolarHBondContact SG-CG1 3.28Å; I556-F562 HydrophobicContact CG2-CD2 3.93Å; I556-F562 HydrophobicContact CG2-CG 4.41Å
557P75.6Confident59.3Low11 Ų1160.7 Ų60.77%0.07135%0.347CS..PPolyproline II helixtrans-64.2167.3174-1425.5000112.7Q235 Y238Q235-P557 HydrophobicContact CB-CG 3.93Å; Q235-P557 HydrophobicContact CG-CG 4.32Å; Q235-P557 WeakPolarHBondContact O-CG 3.49Å; Y238-P557 HydrophobicContact CD1-CG 3.7Å; Y238-P557 HydrophobicContact CE1-CG 4.43Å; Y238-P557 HydrophobicContact CG-CG 4.45Å
558D64.6Low61.2Low131 Ų13157.9 Ų57.970%0.70132%0.323SS*.PPolyproline II helixtrans-47138.2180-134.2-5.1000113.9H560 F561D558-H560 VanDerWaalsContact C-N 3.29Å; D558-H560 PolarHBondContact O-N 3.06Å; D558-F561 PolarHBondContact O-N 3.3Å
559E59.9Low63.1Low103 Ų10352.1 Ų52.148%0.48129%0.287SS..Hα-helixtrans-67.7-20.8-152.1-137.3163.8143.400115.5R563E559-R563 HydrophobicContact CG-CG 4.47Å; E559-R563 WeakPolarHBondContact O-CB 3.48Å; E559-R563 WeakPolarHBondContact O-CG 3.29Å; E559-R563 PolarHBondContact O-N 3.42Å; E559-R563 IonicContact OE1-CZ 3.39Å; E559-R563 IonicContact OE1-NE 2.82Å; E559-R563 PolarHBondContact OE1-NE 3.39Å; E559-R563 IonicContact OE1-NH2 2.96Å; E559-R563 PolarHBondContact OE1-NH2 3.37Å; E559-R563 IonicContact OE2-NH2 3.97Å; E559-R563 PolarHBondContact OE2-NH2 3.48Å
560H60.5Low64.7Low34 Ų3448.6 Ų48.616%0.15726%0.264CS..Hα-helixtrans-69.2-38.9-179.2-65.2-51.7000113.4Y122 D558 F564Y122-H560 PolarHBondContact OH-CE1 3.02Å; Y122-H560 PolarHBondContact OH-NE2 3.3Å; D558-H560 VanDerWaalsContact C-N 3.29Å; D558-H560 PolarHBondContact O-N 3.06Å; H560-F564 PolarHBondContact O-N 3.07Å; H560-F564 VanDerWaalsContact O-N 3.12Å
561F60Low65.8Low2 Ų251.2 Ų51.21%0.00926%0.259CS..Hα-helixtrans-67.8-46.1176.9-179.3-108.2000110.2N202 V205 F206 Y217 D558 R563 F564 L565N202-F561 HydrophobicContact CB-CD2 4.5Å; V205-F561 HydrophobicContact CB-CE2 3.78Å; V205-F561 HydrophobicContact CB-CZ 4.47Å; V205-F561 HydrophobicContact CG1-CE2 3.73Å; V205-F561 HydrophobicContact CG1-CZ 4.35Å; V205-F561 HydrophobicContact CG2-CE2 3.89Å; V205-F561 HydrophobicContact CG2-CZ 4.12Å; F206-F561 AromaticContact CE2-CD2 3.98Å; F206-F561 HydrophobicContact CE2-CD2 3.98Å; Y217-F561 WeakPolarHBondContact OH-CZ 3.37Å; D558-F561 PolarHBondContact O-N 3.3Å; F561-R563 PolarHBondContact O-N 3Å; F561-F564 PolarHBondContact O-N 2.92Å; F561-L565 HydrophobicContact CD1-CD1 3.62Å; F561-L565 HydrophobicContact CD2-CD1 4.31Å; F561-L565 HydrophobicContact CE1-CD1 3.23Å; F561-L565 HydrophobicContact CE1-CG 4.5Å; F561-L565 HydrophobicContact CE2-CD1 3.98Å; F561-L565 HydrophobicContact CG-CD1 4.15Å; F561-L565 HydrophobicContact CZ-CD1 3.44Å; F561-L565 VanDerWaalsContact CZ-CD1 3.44Å; F561-L565 HydrophobicContact CZ-CG 4.4Å; F561-L565 WeakPolarHBondContact O-CG 3.24Å; F561-L565 PolarHBondContact O-N 3.43Å; F561-L565 VanDerWaalsContact O-N 3.13Å
562F59.5Low66.5Low11 Ų1149.7 Ų49.75%0.04824%0.236CC..Hα-helixtrans-52.4-55.1172.1173.9-87.8000111.7Y238 R275 I556 F564 L565 W566Y238-F562 HydrophobicContact CE1-CD2 4.07Å; Y238-F562 AromaticContact CZ-CD2 3.61Å; Y238-F562 AromaticContact CZ-CE2 3.97Å; Y238-F562 WeakPolarHBondContact OH-CD2 3.35Å; Y238-F562 WeakPolarHBondContact OH-CE2 3.47Å; R275-F562 HydrophobicContact CB-CE2 4.29Å; R275-F562 HydrophobicContact CG-CE2 3.71Å; R275-F562 HydrophobicContact CG-CZ 4.16Å; I556-F562 HydrophobicContact CG2-CD2 3.93Å; I556-F562 HydrophobicContact CG2-CG 4.41Å; F562-F564 VanDerWaalsContact C-N 3.33Å; F562-F564 PolarHBondContact O-N 3.35Å; F562-L565 PolarHBondContact O-N 2.82Å; F562-W566 HydrophobicContact CE1-CB 4.09Å; F562-W566 HydrophobicContact CE1-CD2 4.31Å; F562-W566 HydrophobicContact CE1-CE3 4.16Å; F562-W566 HydrophobicContact CE1-CG 4.3Å; F562-W566 HydrophobicContact CE2-CE3 4.23Å; F562-W566 HydrophobicContact CZ-CB 4.32Å; F562-W566 HydrophobicContact CZ-CD2 4.05Å; F562-W566 AromaticContact CZ-CE3 3.45Å; F562-W566 HydrophobicContact CZ-CE3 3.45Å; F562-W566 VanDerWaalsContact CZ-CE3 3.45Å; F562-W566 HydrophobicContact CZ-CG 4.42Å; F562-W566 HydrophobicContact CZ-CZ3 4.05Å; F562-W566 WeakPolarHBondContact O-CB 3.11Å; F562-W566 PolarHBondContact O-N 3.35Å
563R64.2Low66.5Low47 Ų4742.6 Ų42.618%0.17720%0.203CC..Hα-helixtrans-61.9-40.4-175.6-74.4178.7-164.2161.73.4111.8D116 Y118 E559 F561 W566 K567D116-R563 IonicContact OD1-CZ 3.5Å; D116-R563 IonicContact OD1-NE 3.44Å; D116-R563 PolarHBondContact OD1-NE 2.99Å; D116-R563 IonicContact OD1-NH1 3.17Å; D116-R563 PolarHBondContact OD1-NH1 3.35Å; D116-R563 IonicContact OD1-NH2 2.9Å; Y118-R563 HydrophobicContact CD1-CB 4.39Å; Y118-R563 HydrophobicContact CE1-CB 3.86Å; Y118-R563 WeakPolarHBondContact CE1-O 3.22Å; E559-R563 HydrophobicContact CG-CG 4.47Å; E559-R563 WeakPolarHBondContact O-CB 3.48Å; E559-R563 WeakPolarHBondContact O-CG 3.29Å; E559-R563 PolarHBondContact O-N 3.42Å; E559-R563 IonicContact OE1-CZ 3.39Å; E559-R563 IonicContact OE1-NE 2.82Å; E559-R563 PolarHBondContact OE1-NE 3.39Å; E559-R563 IonicContact OE1-NH2 2.96Å; E559-R563 PolarHBondContact OE1-NH2 3.37Å; E559-R563 IonicContact OE2-NH2 3.97Å; E559-R563 PolarHBondContact OE2-NH2 3.48Å; F561-R563 PolarHBondContact O-N 3Å; R563-W566 PolarHBondContact O-N 3.48Å; R563-K567 PolarHBondContact O-N 3.4Å
564F64Low65.6Low54 Ų5446.5 Ų46.524%0.23722%0.217CC..Hα-helixtrans-59.7-50.5175.7171.7-106.2000111.8F206 H560 F561 F562 K567 L568F206-F564 HydrophobicContact CD1-CD1 4.32Å; F206-F564 HydrophobicContact CD1-CD2 4.4Å; F206-F564 HydrophobicContact CD1-CE1 4.38Å; F206-F564 HydrophobicContact CD1-CE2 4.46Å; F206-F564 HydrophobicContact CD1-CG 4.33Å; F206-F564 HydrophobicContact CD1-CZ 4.44Å; F206-F564 HydrophobicContact CE1-CB 3.79Å; F206-F564 AromaticContact CE1-CD1 3.76Å; F206-F564 HydrophobicContact CE1-CD1 3.76Å; F206-F564 AromaticContact CE1-CD2 3.64Å; F206-F564 HydrophobicContact CE1-CD2 3.64Å; F206-F564 HydrophobicContact CE1-CE1 4.23Å; F206-F564 HydrophobicContact CE1-CE2 4.13Å; F206-F564 AromaticContact CE1-CG 3.43Å; F206-F564 HydrophobicContact CE1-CG 3.43Å; F206-F564 VanDerWaalsContact CE1-CG 3.43Å; F206-F564 HydrophobicContact CE1-CZ 4.39Å; F206-F564 HydrophobicContact CZ-CB 3.54Å; F206-F564 AromaticContact CZ-CD1 3.87Å; F206-F564 HydrophobicContact CZ-CD1 3.87Å; F206-F564 HydrophobicContact CZ-CD2 4.29Å; F206-F564 AromaticContact CZ-CG 3.63Å; F206-F564 HydrophobicContact CZ-CG 3.63Å; H560-F564 PolarHBondContact O-N 3.07Å; H560-F564 VanDerWaalsContact O-N 3.12Å; F561-F564 PolarHBondContact O-N 2.92Å; F562-F564 VanDerWaalsContact C-N 3.33Å; F562-F564 PolarHBondContact O-N 3.35Å; F564-K567 PolarHBondContact O-N 3.01Å; F564-L568 HydrophobicContact CE1-CD1 3.96Å; F564-L568 HydrophobicContact CE2-CD1 3.88Å; F564-L568 HydrophobicContact CZ-CD1 3.43Å; F564-L568 VanDerWaalsContact CZ-CD1 3.43Å; F564-L568 WeakPolarHBondContact O-CB 3.41Å; F564-L568 PolarHBondContact O-N 3.18Å
565L61.8Low64Low1 Ų151.7 Ų51.71%0.00524%0.24CC..Hα-helixtrans-63.5-42.3178.9-70.5165.6000111.8H242 L246 F561 F562 K567 L568 Q569H242-L565 HydrophobicContact CB-CD1 3.41Å; H242-L565 VanDerWaalsContact CB-CD1 3.41Å; H242-L565 HydrophobicContact CB-CD2 4Å; H242-L565 HydrophobicContact CB-CG 4.24Å; H242-L565 VanDerWaalsContact CG-CD1 3.44Å; L246-L565 HydrophobicContact CD1-CD2 3.82Å; L246-L565 HydrophobicContact CD2-CD2 4.2Å; L246-L565 HydrophobicContact CG-CD2 4.07Å; F561-L565 HydrophobicContact CD1-CD1 3.62Å; F561-L565 HydrophobicContact CD2-CD1 4.31Å; F561-L565 HydrophobicContact CE1-CD1 3.23Å; F561-L565 HydrophobicContact CE1-CG 4.5Å; F561-L565 HydrophobicContact CE2-CD1 3.98Å; F561-L565 HydrophobicContact CG-CD1 4.15Å; F561-L565 HydrophobicContact CZ-CD1 3.44Å; F561-L565 VanDerWaalsContact CZ-CD1 3.44Å; F561-L565 HydrophobicContact CZ-CG 4.4Å; F561-L565 WeakPolarHBondContact O-CG 3.24Å; F561-L565 PolarHBondContact O-N 3.43Å; F561-L565 VanDerWaalsContact O-N 3.13Å; F562-L565 PolarHBondContact O-N 2.82Å; L565-K567 PolarHBondContact O-N 2.89Å; L565-L568 PolarHBondContact O-N 2.86Å; L565-Q569 WeakPolarHBondContact O-CB 3.45Å; L565-Q569 WeakPolarHBondContact O-CG 3.49Å; L565-Q569 PolarHBondContact O-N 3.37Å
566W63.6Low62.1Low32 Ų3254.5 Ų54.512%0.12125%0.253CS..Hα-helixtrans-56.5-49.9174.9-176.6-88.8000111.4W278 V315 F562 R563 L568 Q569 A570W278-W566 HydrophobicContact CB-CZ3 4.45Å; W278-W566 AromaticContact CD1-CH2 3.87Å; W278-W566 AromaticContact CD2-CE3 3.88Å; W278-W566 HydrophobicContact CD2-CE3 3.88Å; W278-W566 AromaticContact CD2-CH2 3.71Å; W278-W566 HydrophobicContact CD2-CH2 3.71Å; W278-W566 AromaticContact CD2-CZ3 3.18Å; W278-W566 HydrophobicContact CD2-CZ3 3.18Å; W278-W566 AromaticContact CE2-CE3 3.84Å; W278-W566 AromaticContact CE2-CH2 3.51Å; W278-W566 AromaticContact CE2-CZ3 3.32Å; W278-W566 AromaticContact CE3-CE3 3.69Å; W278-W566 HydrophobicContact CE3-CE3 3.69Å; W278-W566 HydrophobicContact CE3-CH2 4.34Å; W278-W566 AromaticContact CE3-CZ3 3.38Å; W278-W566 HydrophobicContact CE3-CZ3 3.38Å; W278-W566 AromaticContact CG-CH2 3.89Å; W278-W566 HydrophobicContact CG-CH2 3.89Å; W278-W566 AromaticContact CG-CZ3 3.7Å; W278-W566 HydrophobicContact CG-CZ3 3.7Å; W278-W566 AromaticContact CH2-CD2 3.93Å; W278-W566 HydrophobicContact CH2-CD2 3.93Å; W278-W566 AromaticContact CH2-CE3 3.4Å; W278-W566 HydrophobicContact CH2-CE3 3.4Å; W278-W566 AromaticContact CH2-CZ3 3.78Å; W278-W566 HydrophobicContact CH2-CZ3 3.78Å; W278-W566 HydrophobicContact CZ2-CD2 4.01Å; W278-W566 AromaticContact CZ2-CE3 3.63Å; W278-W566 HydrophobicContact CZ2-CE3 3.63Å; W278-W566 AromaticContact CZ2-CH2 3.98Å; W278-W566 HydrophobicContact CZ2-CH2 3.98Å; W278-W566 HydrophobicContact CZ2-CZ2 4.3Å; W278-W566 AromaticContact CZ2-CZ3 3.64Å; W278-W566 HydrophobicContact CZ2-CZ3 3.64Å; W278-W566 HydrophobicContact CZ3-CD2 4.4Å; W278-W566 AromaticContact CZ3-CE3 3.45Å; W278-W566 HydrophobicContact CZ3-CE3 3.45Å; W278-W566 VanDerWaalsContact CZ3-CE3 3.45Å; W278-W566 AromaticContact CZ3-CZ3 3.67Å; W278-W566 HydrophobicContact CZ3-CZ3 3.67Å; W278-W566 AromaticContact NE1-CH2 3.64Å; W278-W566 AromaticContact NE1-CZ3 3.92Å; V315-W566 HydrophobicContact CG2-CZ2 4.4Å; F562-W566 HydrophobicContact CE1-CB 4.09Å; F562-W566 HydrophobicContact CE1-CD2 4.31Å; F562-W566 HydrophobicContact CE1-CE3 4.16Å; F562-W566 HydrophobicContact CE1-CG 4.3Å; F562-W566 HydrophobicContact CE2-CE3 4.23Å; F562-W566 HydrophobicContact CZ-CB 4.32Å; F562-W566 HydrophobicContact CZ-CD2 4.05Å; F562-W566 AromaticContact CZ-CE3 3.45Å; F562-W566 HydrophobicContact CZ-CE3 3.45Å; F562-W566 VanDerWaalsContact CZ-CE3 3.45Å; F562-W566 HydrophobicContact CZ-CG 4.42Å; F562-W566 HydrophobicContact CZ-CZ3 4.05Å; F562-W566 WeakPolarHBondContact O-CB 3.11Å; F562-W566 PolarHBondContact O-N 3.35Å; R563-W566 PolarHBondContact O-N 3.48Å; W566-L568 VanDerWaalsContact C-N 3.32Å; W566-L568 PolarHBondContact O-N 3.45Å; W566-Q569 PolarHBondContact O-N 3.29Å; W566-A570 WeakPolarHBondContact O-CB 3.35Å; W566-A570 PolarHBondContact O-N 2.96Å
567K66.3Low61.1Low75 Ų7555.6 Ų55.633%0.32626%0.256SS..Hα-helixtrans-62.4-39.6177.2-172.9177.5-174.1170.70112.2Y118 R563 F564 L565 Q569 R571Y118-K567 HydrophobicContact CE1-CB 4.08Å; Y118-K567 HydrophobicContact CE1-CD 3.91Å; Y118-K567 HydrophobicContact CE2-CD 4.04Å; R563-K567 PolarHBondContact O-N 3.4Å; F564-K567 PolarHBondContact O-N 3.01Å; L565-K567 PolarHBondContact O-N 2.89Å; K567-Q569 VanDerWaalsContact C-N 3.35Å; K567-R571 WeakPolarHBondContact O-CB 3.36Å; K567-R571 WeakPolarHBondContact O-CG 3.42Å; K567-R571 PolarHBondContact O-N 3.15Å
568L62.3Low60.2Low52 Ų5257.4 Ų57.427%0.27227%0.271SS..Hα-helixtrans-69.7-34.8-178.2-151.1139.4000111.6L246 F564 L565 W566 R572L246-L568 HydrophobicContact CD2-CD2 3.68Å; F564-L568 HydrophobicContact CE1-CD1 3.96Å; F564-L568 HydrophobicContact CE2-CD1 3.88Å; F564-L568 HydrophobicContact CZ-CD1 3.43Å; F564-L568 VanDerWaalsContact CZ-CD1 3.43Å; F564-L568 WeakPolarHBondContact O-CB 3.41Å; F564-L568 PolarHBondContact O-N 3.18Å; L565-L568 PolarHBondContact O-N 2.86Å; W566-L568 VanDerWaalsContact C-N 3.32Å; W566-L568 PolarHBondContact O-N 3.45Å; L568-R572 WeakPolarHBondContact O-CG 3.46Å
569Q66.1Low59.5Low11 Ų1156.1 Ų56.15%0.05126%0.261CS..Hα-helixtrans-79.1-38.4173.4-71.3-179.12.700112.6H242 T245 W278 L565 W566 K567 R571 R572 L573H242-Q569 PolarHBondContact ND1-NE2 3.44Å; T245-Q569 HydrophobicContact CG2-CG 4.31Å; W278-Q569 HydrophobicContact CH2-CB 3.72Å; W278-Q569 HydrophobicContact CH2-CG 4.45Å; W278-Q569 HydrophobicContact CZ2-CB 4.3Å; L565-Q569 WeakPolarHBondContact O-CB 3.45Å; L565-Q569 WeakPolarHBondContact O-CG 3.49Å; L565-Q569 PolarHBondContact O-N 3.37Å; W566-Q569 PolarHBondContact O-N 3.29Å; K567-Q569 VanDerWaalsContact C-N 3.35Å; Q569-R571 PolarHBondContact O-N 3.49Å; Q569-R572 WeakPolarHBondContact O-CB 3.41Å; Q569-R572 PolarHBondContact O-N 3.12Å; Q569-R572 VanDerWaalsContact O-N 3.16Å; Q569-L573 WeakPolarHBondContact O-CG 3.46Å; Q569-L573 PolarHBondContact O-N 3.01Å
570A61.8Low59Low28 Ų2854.8 Ų54.823%0.23126%0.257CS..Hα-helixtrans-61.7-43.8176.700000111.9W566 R572 L573 E574W566-A570 WeakPolarHBondContact O-CB 3.35Å; W566-A570 PolarHBondContact O-N 2.96Å; A570-R572 VanDerWaalsContact C-N 3.3Å; A570-R572 PolarHBondContact O-N 3.5Å; A570-L573 PolarHBondContact O-N 3.43Å; A570-E574 PolarHBondContact O-N 3.41Å
571R56.4Low58.6Low148 Ų14858.2 Ų58.256%0.55827%0.273SS*.Hα-helixtrans-60-39.7173.2-77.9-177.3171.5-173.3-4.5112.4K567 Q569 E574 E575K567-R571 WeakPolarHBondContact O-CB 3.36Å; K567-R571 WeakPolarHBondContact O-CG 3.42Å; K567-R571 PolarHBondContact O-N 3.15Å; Q569-R571 PolarHBondContact O-N 3.49Å; R571-E574 PolarHBondContact O-N 3.28Å; R571-E575 VanDerWaalsContact O-CG 3.32Å; R571-E575 WeakPolarHBondContact O-CG 3.5Å; R571-E575 PolarHBondContact O-N 2.93Å
572R57.4Low58.1Low51 Ų5163.9 Ų63.919%0.19230%0.303CS..Hα-helixtrans-66.1-39.1175.6-72.4177.6-162-173.10.6112.2T245 H248 L568 Q569 A570 E575 Q576T245-R572 PolarHBondContact O-NH1 3.24Å; H248-R572 PolarHBondContact CE1-NH1 2.96Å; L568-R572 WeakPolarHBondContact O-CG 3.46Å; Q569-R572 WeakPolarHBondContact O-CB 3.41Å; Q569-R572 PolarHBondContact O-N 3.12Å; Q569-R572 VanDerWaalsContact O-N 3.16Å; A570-R572 VanDerWaalsContact C-N 3.3Å; A570-R572 PolarHBondContact O-N 3.5Å; R572-E575 PolarHBondContact O-N 2.9Å; R572-Q576 WeakPolarHBondContact O-CB 3.47Å; R572-Q576 VanDerWaalsContact O-CG 3.24Å; R572-Q576 WeakPolarHBondContact O-CG 3.42Å; R572-Q576 PolarHBondContact O-N 2.71Å
573L56.3Low57.4Low13 Ų1368 Ų687%0.06832%0.323CS..Hα-helixtrans-63.7-41.7174.6-72.4170.7000111W278 Q569 A570 Q576 R577W278-L573 HydrophobicContact CZ2-CD1 4.33Å; Q569-L573 WeakPolarHBondContact O-CG 3.46Å; Q569-L573 PolarHBondContact O-N 3.01Å; A570-L573 PolarHBondContact O-N 3.43Å; L573-Q576 PolarHBondContact O-N 3.41Å; L573-R577 WeakPolarHBondContact O-CB 3.27Å; L573-R577 VanDerWaalsContact O-CG 3.31Å; L573-R577 WeakPolarHBondContact O-CG 3.36Å; L573-R577 PolarHBondContact O-N 3.41Å
574E56.6Low56.7Low126 Ų12667.7 Ų67.759%0.58933%0.331SS*.Hα-helixtrans-61.7-45.4173.6-74.1174.5177.300112.1A570 R571 Q576 R577 A578A570-E574 PolarHBondContact O-N 3.41Å; R571-E574 PolarHBondContact O-N 3.28Å; E574-Q576 VanDerWaalsContact C-N 3.32Å; E574-Q576 PolarHBondContact O-N 3.01Å; E574-R577 PolarHBondContact O-N 3.3Å; E574-A578 PolarHBondContact O-N 2.93Å
575E52.7Low56.1Low134 Ų13471.2 Ų71.263%0.62635%0.347SS*.Hα-helixtrans-60.5-40.1175.5-74.2170.1-173.500112R571 R572 A578 H579R571-E575 VanDerWaalsContact O-CG 3.32Å; R571-E575 WeakPolarHBondContact O-CG 3.5Å; R571-E575 PolarHBondContact O-N 2.93Å; R572-E575 PolarHBondContact O-N 2.9Å; E575-A578 PolarHBondContact O-N 2.96Å; E575-H579 PolarHBondContact O-N 2.71Å
576Q52.5Low55.4Low58 Ų5873.6 Ų73.627%0.27136%0.364SS..Hα-helixtrans-71.2-39.5176.8-74.8165.90.900112.9H286 R572 L573 E574 A578 H579 L580H286-Q576 VanDerWaalsContact CE1-CD 3.42Å; H286-Q576 PolarHBondContact CE1-NE2 3.43Å; H286-Q576 PolarHBondContact CE1-OE1 3.3Å; R572-Q576 WeakPolarHBondContact O-CB 3.47Å; R572-Q576 VanDerWaalsContact O-CG 3.24Å; R572-Q576 WeakPolarHBondContact O-CG 3.42Å; R572-Q576 PolarHBondContact O-N 2.71Å; L573-Q576 PolarHBondContact O-N 3.41Å; E574-Q576 VanDerWaalsContact C-N 3.32Å; E574-Q576 PolarHBondContact O-N 3.01Å; Q576-A578 PolarHBondContact O-N 2.97Å; Q576-A578 VanDerWaalsContact C-N 3.27Å; Q576-H579 VanDerWaalsContact O-N 3.12Å; Q576-H579 PolarHBondContact O-N 2.95Å; Q576-L580 PolarHBondContact O-N 2.89Å
577R61.9Low54.7Low46 Ų4676.3 Ų76.317%0.17438%0.381CS..Hα-helixtrans-58.9-42172.5-77.4-179.9-171.41446110.7N319 D322 L573 E574 H579 L580 Q581N319-R577 PolarHBondContact OD1-NH2 2.81Å; D322-R577 WeakPolarHBondContact OD2-CD 3.46Å; D322-R577 WeakPolarHBondContact OD2-CG 3.04Å; D322-R577 IonicContact OD2-NE 2.85Å; D322-R577 PolarHBondContact OD2-NE 3.3Å; L573-R577 WeakPolarHBondContact O-CB 3.27Å; L573-R577 VanDerWaalsContact O-CG 3.31Å; L573-R577 WeakPolarHBondContact O-CG 3.36Å; L573-R577 PolarHBondContact O-N 3.41Å; E574-R577 PolarHBondContact O-N 3.3Å; R577-H579 VanDerWaalsContact C-N 3.34Å; R577-H579 PolarHBondContact O-N 3.31Å; R577-L580 PolarHBondContact O-N 3.31Å; R577-Q581 WeakPolarHBondContact O-CB 3.3Å; R577-Q581 VanDerWaalsContact O-CG 3.28Å; R577-Q581 WeakPolarHBondContact O-CG 3.49Å; R577-Q581 PolarHBondContact O-N 3.26Å
578A55.5Low54Low48 Ų4875.8 Ų75.840%0.39739%0.387SS..Hα-helixtrans-61.7-41.7174.500000111.7E574 E575 Q576 Q581 L582E574-A578 PolarHBondContact O-N 2.93Å; E575-A578 PolarHBondContact O-N 2.96Å; Q576-A578 PolarHBondContact O-N 2.97Å; Q576-A578 VanDerWaalsContact C-N 3.27Å; A578-Q581 PolarHBondContact O-N 3.43Å; A578-L582 WeakPolarHBondContact O-CG 3.37Å; A578-L582 PolarHBondContact O-N 2.85Å
579H51Low53.5Low105 Ų10576.3 Ų76.349%0.48640%0.395SS..Hα-helixtrans-66.7-43.9177.2-170.7-85.6000113.1E575 Q576 R577 Q581 L582 M583E575-H579 PolarHBondContact O-N 2.71Å; Q576-H579 VanDerWaalsContact O-N 3.12Å; Q576-H579 PolarHBondContact O-N 2.95Å; R577-H579 VanDerWaalsContact C-N 3.34Å; R577-H579 PolarHBondContact O-N 3.31Å; H579-Q581 VanDerWaalsContact C-N 3.33Å; H579-Q581 PolarHBondContact O-N 2.94Å; H579-L582 PolarHBondContact O-N 3.37Å; H579-M583 VanDerWaalsContact CE1-SD 3.51Å; H579-M583 PolarHBondContact O-N 2.74Å
580L48.9Very low52.7Low75 Ų7582.6 Ų82.639%0.39342%0.424SS..Hα-helixtrans-62.7-39.4175.5-75.3172000111.7Q576 R577 M583 A584Q576-L580 PolarHBondContact O-N 2.89Å; R577-L580 PolarHBondContact O-N 3.31Å; L580-M583 PolarHBondContact O-N 2.98Å; L580-A584 WeakPolarHBondContact O-CB 3.37Å; L580-A584 PolarHBondContact O-N 3.5Å
581Q52.2Low52.1Low105 Ų10589.4 Ų89.449%0.49145%0.449SS..Hα-helixtrans-61.6-46.5173-75.3176.51.600111R577 A578 H579 M583 A584 H585R577-Q581 WeakPolarHBondContact O-CB 3.3Å; R577-Q581 VanDerWaalsContact O-CG 3.28Å; R577-Q581 WeakPolarHBondContact O-CG 3.49Å; R577-Q581 PolarHBondContact O-N 3.26Å; A578-Q581 PolarHBondContact O-N 3.43Å; H579-Q581 VanDerWaalsContact C-N 3.33Å; H579-Q581 PolarHBondContact O-N 2.94Å; Q581-M583 VanDerWaalsContact C-N 3.34Å; Q581-M583 PolarHBondContact O-N 3.34Å; Q581-A584 PolarHBondContact O-N 2.76Å; Q581-H585 PolarHBondContact O-N 3.05Å; Q581-H585 PolarHBondContact O-ND1 2.73Å
582L49.5Very low51.8Low122 Ų12290.6 Ų90.664%0.63946%0.458SS*.Hα-helixtrans-59.8-41.9177.5-73.2167.9000112.5A578 H579 H585 S586A578-L582 WeakPolarHBondContact O-CG 3.37Å; A578-L582 PolarHBondContact O-N 2.85Å; H579-L582 PolarHBondContact O-N 3.37Å; L582-H585 PolarHBondContact O-N 3.28Å; L582-S586 PolarHBondContact O-N 3.17Å
583M43.6Very low51.2Low98 Ų9895.5 Ų95.548%0.48349%0.488SS..Hα-helixtrans-66.6-38.1176.1-74.2-170.2144.300113.2H579 L580 Q581 H585 S586 N587H579-M583 VanDerWaalsContact CE1-SD 3.51Å; H579-M583 PolarHBondContact O-N 2.74Å; L580-M583 PolarHBondContact O-N 2.98Å; Q581-M583 VanDerWaalsContact C-N 3.34Å; Q581-M583 PolarHBondContact O-N 3.34Å; M583-H585 VanDerWaalsContact C-N 3.31Å; M583-S586 WeakPolarHBondContact CA-OG 3.21Å; M583-S586 PolarHBondContact O-N 3.22Å; M583-S586 PolarHBondContact O-OG 3.42Å; M583-N587 WeakPolarHBondContact O-CB 3.41Å; M583-N587 VanDerWaalsContact O-CG 3.32Å; M583-N587 PolarHBondContact O-N 3.05Å
584A51Low50.5Low40 Ų40103.8 Ų103.833%0.33154%0.539SS..Hα-helixtrans-64.6-3917400000111.3L580 Q581 S588L580-A584 WeakPolarHBondContact O-CB 3.37Å; L580-A584 PolarHBondContact O-N 3.5Å; Q581-A584 PolarHBondContact O-N 2.76Å; A584-S588 WeakPolarHBondContact O-CB 3.2Å; A584-S588 PolarHBondContact O-N 2.96Å; A584-S588 PolarHBondContact O-OG 3.03Å
585H50.6Low50.2Low127 Ų127102.7 Ų102.759%0.58854%0.536SS*.Hα-helixtrans-66-44.4175.5-73.880.9000111.5Q581 L582 M583 N587 S588 S589Q581-H585 PolarHBondContact O-N 3.05Å; Q581-H585 PolarHBondContact O-ND1 2.73Å; L582-H585 PolarHBondContact O-N 3.28Å; M583-H585 VanDerWaalsContact C-N 3.31Å; H585-N587 PolarHBondContact O-N 3.19Å; H585-S588 PolarHBondContact O-OG 3.42Å; H585-S588 PolarHBondContact O-N 3.12Å; H585-S589 PolarHBondContact O-N 3.36Å; H585-S589 PolarHBondContact O-OG 3.02Å
586S46.8Very low50.1Low52 Ų52101 Ų10136%0.36453%0.531SS..Hα-helixtrans-61.9-44.9177.463.50000112.4L582 M583 S588 S589 E590L582-S586 PolarHBondContact O-N 3.17Å; M583-S586 WeakPolarHBondContact CA-OG 3.21Å; M583-S586 PolarHBondContact O-N 3.22Å; M583-S586 PolarHBondContact O-OG 3.42Å; S586-S588 VanDerWaalsContact C-N 3.27Å; S586-S588 PolarHBondContact O-N 3.14Å; S586-S589 WeakPolarHBondContact CA-OG 3.38Å; S586-S589 PolarHBondContact O-N 2.98Å; S586-S589 VanDerWaalsContact O-N 3.17Å; S586-S589 PolarHBondContact O-OG 2.93Å; S586-E590 PolarHBondContact O-N 2.97Å
587N48.8Very low49.9Very low88 Ų88103.4 Ų103.447%0.47155%0.546SS..Hα-helixtrans-65.7-30177.8-72.8-9.5000112.4M583 H585 K591M583-N587 WeakPolarHBondContact O-CB 3.41Å; M583-N587 VanDerWaalsContact O-CG 3.32Å; M583-N587 PolarHBondContact O-N 3.05Å; H585-N587 PolarHBondContact O-N 3.19Å; N587-K591 PolarHBondContact O-N 3.06Å
588S51.4Low49.2Very low64 Ų64106.8 Ų106.845%0.44857%0.568SS.*Hα-helixtrans-76.3-30.9174.575.50000113.1A584 H585 S586A584-S588 WeakPolarHBondContact O-CB 3.2Å; A584-S588 PolarHBondContact O-N 2.96Å; A584-S588 PolarHBondContact O-OG 3.03Å; H585-S588 PolarHBondContact O-OG 3.42Å; H585-S588 PolarHBondContact O-N 3.12Å; S586-S588 VanDerWaalsContact C-N 3.27Å; S586-S588 PolarHBondContact O-N 3.14Å
589S51.8Low48.8Very low64 Ų64110.4 Ų110.445%0.44858%0.578SS.*Hα-helixtrans-71.9-40.6174.951.30000112.3H585 S586 K591 K592H585-S589 PolarHBondContact O-N 3.36Å; H585-S589 PolarHBondContact O-OG 3.02Å; S586-S589 WeakPolarHBondContact CA-OG 3.38Å; S586-S589 PolarHBondContact O-N 2.98Å; S586-S589 VanDerWaalsContact O-N 3.17Å; S586-S589 PolarHBondContact O-OG 2.93Å; S589-K591 PolarHBondContact O-N 3.26Å; S589-K592 PolarHBondContact O-N 3.49Å
590E49.9Very low48.7Very low143 Ų143110.8 Ų110.867%0.66858%0.584SS**Hα-helixtrans-64.3-27.4175.8-74.7-175.1166.900112.7S586 K592S586-E590 PolarHBondContact O-N 2.97Å; E590-K592 VanDerWaalsContact C-N 3.32Å
591K49.8Very low48.7Very low170 Ų170113.4 Ų113.474%0.73960%0.598SS**THydrogen-bonded Turntrans-79.2-8.5175.2-77.1-172.9179-177.60114.7N587 S589N587-K591 PolarHBondContact O-N 3.06Å; S589-K591 PolarHBondContact O-N 3.26Å
592K50.1Low48.4Very low174 Ų174114 Ų11476%0.75761%0.606SS**THydrogen-bonded Turntrans-96.9-13.2177.5-82.2-173.5176.2179.30114.2S589 E590S589-K592 PolarHBondContact O-N 3.49Å; E590-K592 VanDerWaalsContact C-N 3.32Å
593D44Very low48.3Very low154 Ų154113.3 Ų113.382%0.82460%0.604SS**  trans-101.621.7179.2-72.7-21.7000113.5
594V41.9Very low48.7Very low186 Ų186114.7 Ų114.7100%1.12762%0.615SS**  trans-118.80167.7-173.20000108.7

Retrieved 594 of 594 residues in 148.3 ms (Link to these results)

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