A0A087XUB5_POEFO Loading...

Abscission/NoCut checkpoint regulator

Key regulator of abscission step in cytokinesis: part of the cytokinesis checkpoint, a process required to delay abscission to prevent both premature resolution of intercellular chromosome bridges and accumulation of DNA damage. Together with CHMP4C, required to retain abscission-competent VPS4 (VPS4A and/or VPS4B) at the midbody ring until abscission checkpoint signaling is terminated at late cytokinesis. Deactivation of AURKB results in dephosphorylation of CHMP4C followed by its dissociation from ZFYVE19/ANCHR and VPS4 and subsequent abscission.

AlphaFold DB , UniProt , Accession A0A087XUB5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 428 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.2Very low83.9Confident234 Ų23493 Ų93100%1.15351%0.505SS*.  0119.70-77.467.1178.300108.8S3M1-S3 PolarHBondContact O-N 3.44Å
2D61.1Low84.7Confident98 Ų9887.4 Ų87.452%0.52447%0.472SS..  trans-67129.4-171.4-65.6-50.5000113.4R4D2-R4 HydrophobicContact CB-CG 3.82Å; D2-R4 PolarHBondContact O-N 3.07Å; D2-R4 IonicContact OD2-CZ 2.8Å; D2-R4 IonicContact OD2-NE 3.4Å; D2-R4 PolarHBondContact OD2-NE 3.41Å; D2-R4 IonicContact OD2-NH2 3.91Å; D2-R4 PolarHBondContact OD2-NH2 3.18Å
3S83.3Confident84.8Confident73 Ų7385.6 Ų85.651%0.5147%0.47SS..  trans-66.689.6170.8-45.50000110.6M1 F12M1-S3 PolarHBondContact O-N 3.44Å; S3-F12 WeakPolarHBondContact O-CD2 3.23Å; S3-F12 PolarHBondContact O-N 2.97Å
4R91.3Very high84.9Confident124 Ų12492.1 Ų92.147%0.46850%0.503SS..BIsolated β-bridgetrans-123.4152.1178.9-55.1-175.4-167.8-175.44.4111D2 Y6 S10 K11 F12D2-R4 HydrophobicContact CB-CG 3.82Å; D2-R4 PolarHBondContact O-N 3.07Å; D2-R4 IonicContact OD2-CZ 2.8Å; D2-R4 IonicContact OD2-NE 3.4Å; D2-R4 PolarHBondContact OD2-NE 3.41Å; D2-R4 IonicContact OD2-NH2 3.91Å; D2-R4 PolarHBondContact OD2-NH2 3.18Å; R4-Y6 PolarHBondContact O-N 2.89Å; R4-S10 WeakPolarHBondContact CA-O 3.43Å; R4-K11 HydrophobicContact CG-CB 4.43Å; R4-F12 WeakPolarHBondContact O-CE2 3.38Å
5C92.7Very high84.9Confident2 Ų299.3 Ų99.31%0.01453%0.527CS..  trans-63.5126.3175.4174.90000111.3G7 C8 A9 S10 F12 C29 C32C5-G7 PolarHBondContact O-N 3.4Å; C5-G7 PolarHBondContact SG-N 3.13Å; C5-G7 VanDerWaalsContact SG-N 3.4Å; C5-C8 PolarHBondContact SG-SG 3.37Å; C5-A9 WeakPolarHBondContact O-CA 3.23Å; C5-A9 PolarHBondContact O-N 3.42Å; C5-S10 PolarHBondContact N-O 3.06Å; C5-F12 HydrophobicContact CB-CE1 4.07Å; C5-F12 HydrophobicContact CB-CZ 4.03Å; C5-C29 HydrophobicContact CB-CB 4.28Å; C5-C29 PolarHBondContact SG-N 2.88Å; C5-C29 VanDerWaalsContact SG-SG 3.63Å; C5-C32 VanDerWaalsContact SG-SG 3.65Å
6Y91.9Very high85Confident140 Ų14099.8 Ų99.855%0.54952%0.524SS..THydrogen-bonded Turntrans-64.7-23.2178.9-169.2-90000113.6R4 R26 S27 F28R4-Y6 PolarHBondContact O-N 2.89Å; Y6-R26 HydrophobicContact CD2-CG 4.35Å; Y6-R26 HydrophobicContact CG-CB 4.2Å; Y6-R26 HydrophobicContact CG-CG 4.39Å; Y6-R26 VanDerWaalsContact CZ-CZ 3.44Å; Y6-R26 PolarHBondContact OH-NH1 3.3Å; Y6-S27 WeakPolarHBondContact CB-O 3.27Å; Y6-S27 PolarHBondContact N-O 3.39Å; Y6-F28 HydrophobicContact CD1-CE1 4.04Å; Y6-F28 AromaticContact CD1-CZ 3.9Å; Y6-F28 HydrophobicContact CD1-CZ 3.9Å; Y6-F28 HydrophobicContact CG-CE1 4.36Å; Y6-F28 HydrophobicContact CG-CZ 4.25Å
7G88.7Confident85.3Confident52 Ų52102.9 Ų102.954%0.53653%0.532SS..THydrogen-bonded Turntrans-87.5-38.9-178.200000114.8C5C5-G7 PolarHBondContact O-N 3.4Å; C5-G7 PolarHBondContact SG-N 3.13Å; C5-G7 VanDerWaalsContact SG-N 3.4Å
8C92Very high85.7Confident68 Ų68102.3 Ų102.346%0.45953%0.526SS..THydrogen-bonded Turntrans-125.76.4-174.465.60000114C5 S10 C29C5-C8 PolarHBondContact SG-SG 3.37Å; C8-S10 PolarHBondContact O-N 2.88Å; C8-S10 PolarHBondContact SG-OG 2.84Å; C8-C29 VanDerWaalsContact SG-SG 3.64Å
9A90.9Very high85.9Confident67 Ų6799.8 Ų99.855%0.55451%0.514SS*.  trans55.811-178.200000115.4C5 K11C5-A9 WeakPolarHBondContact O-CA 3.23Å; C5-A9 PolarHBondContact O-N 3.42Å; A9-K11 PolarHBondContact O-N 3.37Å
10S90.4Very high86.2Confident25 Ų2596.9 Ų96.918%0.17551%0.509CS..PPolyproline II helixtrans-69.9132179.270.70000110.9R4 C5 C8R4-S10 WeakPolarHBondContact CA-O 3.43Å; C5-S10 PolarHBondContact N-O 3.06Å; C8-S10 PolarHBondContact O-N 2.88Å; C8-S10 PolarHBondContact SG-OG 2.84Å
11K92.8Very high86.5Confident140 Ų14092.4 Ų92.461%0.60949%0.486SS*.BIsolated β-bridgetrans-62.1136.5173.3-167.9170.6-179.5169.60110.9R4 A9R4-K11 HydrophobicContact CG-CB 4.43Å; A9-K11 PolarHBondContact O-N 3.37Å
12F93.1Very high88.5Confident26 Ų2687.1 Ų87.111%0.11446%0.456CS..PPolyproline II helixtrans-71.8143.3172.3-61-59.2000110.1S3 R4 C5 E18 C29S3-F12 WeakPolarHBondContact O-CD2 3.23Å; S3-F12 PolarHBondContact O-N 2.97Å; R4-F12 WeakPolarHBondContact O-CE2 3.38Å; C5-F12 HydrophobicContact CB-CE1 4.07Å; C5-F12 HydrophobicContact CB-CZ 4.03Å; F12-E18 HydrophobicContact CB-CB 4.48Å; F12-E18 HydrophobicContact CD1-CB 3.9Å; F12-E18 HydrophobicContact CD1-CG 4.47Å; F12-E18 HydrophobicContact CD2-CB 3.83Å; F12-E18 HydrophobicContact CD2-CG 3.84Å; F12-E18 HydrophobicContact CE1-CB 4.03Å; F12-E18 HydrophobicContact CE1-CG 4.21Å; F12-E18 HydrophobicContact CE2-CB 3.98Å; F12-E18 VanDerWaalsContact CE2-CD 3.48Å; F12-E18 HydrophobicContact CE2-CG 3.55Å; F12-E18 HydrophobicContact CG-CB 3.81Å; F12-E18 HydrophobicContact CG-CG 4.32Å; F12-E18 HydrophobicContact CZ-CB 4.08Å; F12-E18 HydrophobicContact CZ-CG 3.75Å; F12-C29 HydrophobicContact CE1-CB 4.25Å
13S86.7Confident89.8Confident64 Ų6484.3 Ų84.345%0.44844%0.442SS..BIsolated β-bridgetrans-147.4174.4-179.8710000109.5F15 K16S13-F15 PolarHBondContact O-N 3.31Å; S13-F15 PolarHBondContact OG-N 3.07Å; S13-K16 PolarHBondContact N-O 2.88Å; S13-K16 VanDerWaalsContact N-O 3.17Å; S13-K16 CarbonylContact O-C 3.56Å; S13-K16 PolarHBondContact O-N 3.28Å; S13-K16 PolarHBondContact OG-N 3.3Å
14L85Confident90.1Very high177 Ų17783.1 Ų83.193%0.92743%0.433SS*.THydrogen-bonded Turntrans-54.3-28.9177-62.4175.7000112.9
15F85.9Confident90Very high199 Ų19980.5 Ų80.587%0.87344%0.444SS*.THydrogen-bonded Turntrans-90.9-16.1176.5-57.3-75.3000113.9S13S13-F15 PolarHBondContact O-N 3.31Å; S13-F15 PolarHBondContact OG-N 3.07Å
16K85.9Confident89.9Confident107 Ų10786 Ų8647%0.46546%0.464SS..BIsolated β-bridgetrans-122.887.2178.8-78.1-176.7-179.5171.80109.9S13S13-K16 PolarHBondContact N-O 2.88Å; S13-K16 VanDerWaalsContact N-O 3.17Å; S13-K16 CarbonylContact O-C 3.56Å; S13-K16 PolarHBondContact O-N 3.28Å; S13-K16 PolarHBondContact OG-N 3.3Å
17K90Very high90Very high153 Ų15380.8 Ų80.867%0.66545%0.448SS*.  trans-61.4139.7176.9-174.9172.5-179.5175.10111.8L19K17-L19 HydrophobicContact CD-CD2 4.26Å; K17-L19 HydrophobicContact CG-CD2 4.32Å
18E92.1Very high90.2Very high93 Ų9378.7 Ų78.744%0.43543%0.425SS..  trans-79.5128.7171.4-178.3166-172.900111F12 S27F12-E18 HydrophobicContact CB-CB 4.48Å; F12-E18 HydrophobicContact CD1-CB 3.9Å; F12-E18 HydrophobicContact CD1-CG 4.47Å; F12-E18 HydrophobicContact CD2-CB 3.83Å; F12-E18 HydrophobicContact CD2-CG 3.84Å; F12-E18 HydrophobicContact CE1-CB 4.03Å; F12-E18 HydrophobicContact CE1-CG 4.21Å; F12-E18 HydrophobicContact CE2-CB 3.98Å; F12-E18 VanDerWaalsContact CE2-CD 3.48Å; F12-E18 HydrophobicContact CE2-CG 3.55Å; F12-E18 HydrophobicContact CG-CB 3.81Å; F12-E18 HydrophobicContact CG-CG 4.32Å; F12-E18 HydrophobicContact CZ-CB 4.08Å; F12-E18 HydrophobicContact CZ-CG 3.75Å; E18-S27 WeakPolarHBondContact OE1-CB 3.44Å; E18-S27 PolarHBondContact OE1-OG 2.92Å
19L91.1Very high90.3Very high55 Ų5575.7 Ų75.729%0.28840%0.404SS..EExtended strand (participates in β ladder)trans-128.9137177-58.9174.7000110.1K17 S27 F28 L33K17-L19 HydrophobicContact CD-CD2 4.26Å; K17-L19 HydrophobicContact CG-CD2 4.32Å; L19-S27 CarbonylContact O-C 3.56Å; L19-F28 PolarHBondContact N-O 3.19Å; L19-F28 PolarHBondContact O-N 2.73Å; L19-F28 VanDerWaalsContact O-O 3.1Å; L19-L33 HydrophobicContact CB-CD2 3.57Å; L19-L33 HydrophobicContact CD1-CD2 4.37Å
20G91.4Very high90.3Very high41 Ų4176.2 Ų76.242%0.42340%0.404SS..EExtended strand (participates in β ladder)trans-93.9137.2-179.900000113.2L33G20-L33 WeakPolarHBondContact O-CD2 3.5Å
21C92.5Very high90.2Very high3 Ų378.8 Ų78.82%0.0242%0.422CS..  trans-74.5124.8168.1174.50000110.6N23 G25 R26 F28 L33 V49 C50C21-N23 PolarHBondContact O-N 3.27Å; C21-N23 PolarHBondContact SG-N 3.17Å; C21-G25 VanDerWaalsContact O-CA 3.27Å; C21-G25 WeakPolarHBondContact O-CA 3.07Å; C21-G25 PolarHBondContact O-N 3.05Å; C21-R26 PolarHBondContact N-O 3.23Å; C21-F28 HydrophobicContact CB-CD2 3.95Å; C21-F28 HydrophobicContact CB-CE2 3.74Å; C21-L33 HydrophobicContact CB-CD1 3.82Å; C21-V49 VanDerWaalsContact SG-CA 3.56Å; C21-C50 HydrophobicContact CB-CB 4.29Å; C21-C50 PolarHBondContact SG-N 3.31Å
22K89Confident90.1Very high122 Ų12273.1 Ų73.153%0.5340%0.4SS..THydrogen-bonded Turntrans-71.9-11.1-179.1-61.9-60.4-174.9177.10115Q47 K48K22-Q47 HydrophobicContact CB-CB 3.81Å; K22-Q47 HydrophobicContact CB-CG 4.28Å; K22-Q47 HydrophobicContact CG-CB 3.99Å; K22-Q47 HydrophobicContact CG-CG 4.38Å; K22-K48 PolarHBondContact N-O 3.44Å
23N88.6Confident90.1Very high40 Ų4072.3 Ų72.321%0.21440%0.396CS..THydrogen-bonded Turntrans-94-47.6177.1-169.257.8000113.1C21 V39 V49 C53 L57C21-N23 PolarHBondContact O-N 3.27Å; C21-N23 PolarHBondContact SG-N 3.17Å; N23-V39 HydrophobicContact CB-CG1 4.21Å; N23-V39 HydrophobicContact CB-CG2 4.19Å; N23-V49 HydrophobicContact CB-CG1 3.91Å; N23-C53 HydrophobicContact CB-CB 3.85Å; N23-C53 WeakPolarHBondContact ND2-CB 3.48Å; N23-C53 PolarHBondContact ND2-SG 2.95Å; N23-L57 HydrophobicContact CB-CD1 4.24Å
24C89.8Confident90.2Very high48 Ų4872.1 Ų72.132%0.32440%0.395SS..THydrogen-bonded Turntrans-107.1-3.6-177.3680000115.2R26C24-R26 PolarHBondContact O-N 2.91Å; C24-R26 VanDerWaalsContact O-N 3.11Å
25G89Confident90.4Very high68 Ų6866.5 Ų66.570%0.70137%0.366SS*.  trans72.1-1.4176.300000115.9C21C21-G25 VanDerWaalsContact O-CA 3.27Å; C21-G25 WeakPolarHBondContact O-CA 3.07Å; C21-G25 PolarHBondContact O-N 3.05Å
26R91.9Very high90.7Very high117 Ų11758.9 Ų58.944%0.44234%0.337SS..  trans-80.3153.8-178-64.7169.5-178.6176.3-3.5112.2Y6 C21 C24 F28Y6-R26 HydrophobicContact CD2-CG 4.35Å; Y6-R26 HydrophobicContact CG-CB 4.2Å; Y6-R26 HydrophobicContact CG-CG 4.39Å; Y6-R26 VanDerWaalsContact CZ-CZ 3.44Å; Y6-R26 PolarHBondContact OH-NH1 3.3Å; C21-R26 PolarHBondContact N-O 3.23Å; C24-R26 PolarHBondContact O-N 2.91Å; C24-R26 VanDerWaalsContact O-N 3.11Å; R26-F28 HydrophobicContact CB-CD2 4.48Å; R26-F28 HydrophobicContact CB-CE2 3.65Å; R26-F28 HydrophobicContact CB-CZ 4.06Å; R26-F28 WeakPolarHBondContact O-CD2 3.18Å; R26-F28 WeakPolarHBondContact O-CE2 3.32Å
27S92.9Very high90.9Very high31 Ų3154.1 Ų54.122%0.21732%0.318CS..EExtended strand (participates in β ladder)trans-86.2137.2178.754.10000112.8Y6 E18 L19Y6-S27 WeakPolarHBondContact CB-O 3.27Å; Y6-S27 PolarHBondContact N-O 3.39Å; E18-S27 WeakPolarHBondContact OE1-CB 3.44Å; E18-S27 PolarHBondContact OE1-OG 2.92Å; L19-S27 CarbonylContact O-C 3.56Å
28F94Very high90.9Very high9 Ų950.6 Ų50.64%0.03931%0.309CS..EExtended strand (participates in β ladder)trans-141.5154.6-177.2-65.8-84.9000110.5Y6 L19 C21 R26 C32 L33 C50Y6-F28 HydrophobicContact CD1-CE1 4.04Å; Y6-F28 AromaticContact CD1-CZ 3.9Å; Y6-F28 HydrophobicContact CD1-CZ 3.9Å; Y6-F28 HydrophobicContact CG-CE1 4.36Å; Y6-F28 HydrophobicContact CG-CZ 4.25Å; L19-F28 PolarHBondContact N-O 3.19Å; L19-F28 PolarHBondContact O-N 2.73Å; L19-F28 VanDerWaalsContact O-O 3.1Å; C21-F28 HydrophobicContact CB-CD2 3.95Å; C21-F28 HydrophobicContact CB-CE2 3.74Å; R26-F28 HydrophobicContact CB-CD2 4.48Å; R26-F28 HydrophobicContact CB-CE2 3.65Å; R26-F28 HydrophobicContact CB-CZ 4.06Å; R26-F28 WeakPolarHBondContact O-CD2 3.18Å; R26-F28 WeakPolarHBondContact O-CE2 3.32Å; F28-C32 HydrophobicContact CB-CB 4.06Å; F28-C32 HydrophobicContact CD1-CB 3.92Å; F28-C32 HydrophobicContact CG-CB 4.43Å; F28-L33 HydrophobicContact CB-CB 4Å; F28-L33 HydrophobicContact CB-CD1 4.43Å; F28-L33 HydrophobicContact CD2-CD1 4.13Å; F28-L33 HydrophobicContact CG-CD1 4.5Å; F28-C50 HydrophobicContact CD1-CB 4.23Å; F28-C50 HydrophobicContact CD2-CB 3.95Å; F28-C50 HydrophobicContact CE1-CB 3.75Å; F28-C50 HydrophobicContact CE2-CB 3.45Å; F28-C50 VanDerWaalsContact CE2-CB 3.45Å; F28-C50 HydrophobicContact CG-CB 4.32Å; F28-C50 HydrophobicContact CZ-CB 3.34Å
29C93.1Very high90.7Very high4 Ų446.2 Ų46.23%0.02729%0.288CS..  trans-78.3164.1167.7630000110.7C5 C8 F12 S31 C32 L33C5-C29 HydrophobicContact CB-CB 4.28Å; C5-C29 PolarHBondContact SG-N 2.88Å; C5-C29 VanDerWaalsContact SG-SG 3.63Å; C8-C29 VanDerWaalsContact SG-SG 3.64Å; F12-C29 HydrophobicContact CE1-CB 4.25Å; C29-S31 PolarHBondContact O-N 2.87Å; C29-S31 VanDerWaalsContact O-N 3.17Å; C29-S31 PolarHBondContact SG-OG 3.48Å; C29-C32 PolarHBondContact O-N 2.96Å; C29-L33 PolarHBondContact O-N 2.7Å
30S90.4Very high90.2Very high79 Ų7947.4 Ų47.455%0.55230%0.299SS*.THydrogen-bonded Turntrans-53.4-35.3179.955.10000114.3L33S30-L33 CarbonylContact O-C 3.59Å
31S88.9Confident89.6Confident79 Ų7955.6 Ų55.655%0.55232%0.318SS*.THydrogen-bonded Turntrans-72.4-35.2177.458.40000112.9C29 S34C29-S31 PolarHBondContact O-N 2.87Å; C29-S31 VanDerWaalsContact O-N 3.17Å; C29-S31 PolarHBondContact SG-OG 3.48Å; S31-S34 PolarHBondContact O-OG 2.92Å; S31-S34 VanDerWaalsContact O-OG 3.12Å
32C90.8Very high88.9Confident20 Ų2057.8 Ų57.814%0.13533%0.332CS..THydrogen-bonded Turntrans-79.3-23.4177.5-71.70000113.4C5 F28 C29C5-C32 VanDerWaalsContact SG-SG 3.65Å; F28-C32 HydrophobicContact CB-CB 4.06Å; F28-C32 HydrophobicContact CD1-CB 3.92Å; F28-C32 HydrophobicContact CG-CB 4.43Å; C29-C32 PolarHBondContact O-N 2.96Å
33L92.5Very high88.5Confident9 Ų955 Ų555%0.04734%0.339CS..THydrogen-bonded Turntrans-107.746.8176.7-159.679.4000112.3L19 G20 C21 F28 C29 S30 K48 C50L19-L33 HydrophobicContact CB-CD2 3.57Å; L19-L33 HydrophobicContact CD1-CD2 4.37Å; G20-L33 WeakPolarHBondContact O-CD2 3.5Å; C21-L33 HydrophobicContact CB-CD1 3.82Å; F28-L33 HydrophobicContact CB-CB 4Å; F28-L33 HydrophobicContact CB-CD1 4.43Å; F28-L33 HydrophobicContact CD2-CD1 4.13Å; F28-L33 HydrophobicContact CG-CD1 4.5Å; C29-L33 PolarHBondContact O-N 2.7Å; S30-L33 CarbonylContact O-C 3.59Å; L33-K48 HydrophobicContact CD2-CB 3.89Å; L33-K48 HydrophobicContact CG-CB 4.12Å; L33-C50 HydrophobicContact CD1-CB 4.35Å
34S88.4Confident88.2Confident60 Ų6058.5 Ų58.542%0.4236%0.357SS..  trans-81.9-24.4-178.839.20000113.4S31 K48S31-S34 PolarHBondContact O-OG 2.92Å; S31-S34 VanDerWaalsContact O-OG 3.12Å; S34-K48 PolarHBondContact O-NZ 3.29Å
35L90.8Very high88.1Confident60 Ų6059.1 Ų59.131%0.31436%0.36SS..EExtended strand (participates in β ladder)trans-92.8152.8-169.4-57.4175.5000112.8K48 V49 K51 H54L35-K48 WeakPolarHBondContact O-CA 3.48Å; L35-V49 PolarHBondContact O-N 2.82Å; L35-V49 VanDerWaalsContact O-O 3.12Å; L35-K51 HydrophobicContact CD1-CB 4.32Å; L35-K51 HydrophobicContact CD1-CG 3.9Å; L35-H54 HydrophobicContact CB-CB 4.01Å; L35-H54 HydrophobicContact CD1-CB 3.85Å
36S91.1Very high88.2Confident38 Ų3862.8 Ų62.827%0.26636%0.359SS..EExtended strand (participates in β ladder)trans-128.3132.1179.1-56.30000110.2Q47 K48 H54S36-Q47 CarbonylContact C-O 3.45Å; S36-Q47 VanDerWaalsContact CA-O 3.23Å; S36-Q47 WeakPolarHBondContact CA-O 3.49Å; S36-K48 WeakPolarHBondContact OG-CD 3.49Å; S36-K48 PolarHBondContact OG-NZ 3.31Å; S36-H54 PolarHBondContact O-CD2 3.01Å; S36-H54 PolarHBondContact O-NE2 3.17Å
37A90.4Very high88.2Confident8 Ų860 Ų607%0.06635%0.351CS..EExtended strand (participates in β ladder)trans-135.7159.3176.600000110.1V39 Q47 V49 L57A37-V39 PolarHBondContact O-N 3.1Å; A37-Q47 PolarHBondContact N-O 3.32Å; A37-Q47 PolarHBondContact O-N 2.93Å; A37-V49 HydrophobicContact CB-CG2 3.64Å; A37-L57 HydrophobicContact CB-CB 3.94Å; A37-L57 HydrophobicContact CB-CD1 3.88Å
38V90.5Very high88.2Confident79 Ų7963.2 Ų63.248%0.47936%0.361SS..EExtended strand (participates in β ladder)trans-69.2118.8171.2177.60000108N44V38-N44 HydrophobicContact CG1-CB 3.97Å; V38-N44 WeakPolarHBondContact CG1-O 3.47Å
39V87Confident88.2Confident0 Ų062.8 Ų62.80%036%0.359CS..EExtended strand (participates in β ladder)trans-105.7113.8-178.6178.70000109.1N23 A37 R41 C42 N44 T45 Q47 V49 L57N23-V39 HydrophobicContact CB-CG1 4.21Å; N23-V39 HydrophobicContact CB-CG2 4.19Å; A37-V39 PolarHBondContact O-N 3.1Å; V39-R41 HydrophobicContact CG1-CB 4.07Å; V39-R41 PolarHBondContact O-N 2.84Å; V39-C42 HydrophobicContact CB-CB 4.48Å; V39-C42 HydrophobicContact CG1-CB 4.5Å; V39-C42 PolarHBondContact O-N 3.48Å; V39-N44 PolarHBondContact O-N 3.12Å; V39-T45 PolarHBondContact N-O 3.23Å; V39-T45 VanDerWaalsContact N-O 3.07Å; V39-Q47 HydrophobicContact CB-CB 4.36Å; V39-Q47 HydrophobicContact CB-CG 4.49Å; V39-Q47 HydrophobicContact CG2-CB 3.9Å; V39-V49 HydrophobicContact CG2-CG1 3.45Å; V39-V49 VanDerWaalsContact CG2-CG1 3.45Å; V39-L57 HydrophobicContact CG2-CD1 3.95Å
40P82Confident88.2Confident80 Ų8062.9 Ų62.952%0.51936%0.359SS..G310 helixtrans-57.8-35.5179.5-27.235.3000113.9C42 G43 N44P40-C42 PolarHBondContact O-N 3.02Å; P40-C42 VanDerWaalsContact O-N 3.17Å; P40-G43 PolarHBondContact O-N 3.17Å; P40-N44 VanDerWaalsContact CA-OD1 3.23Å; P40-N44 WeakPolarHBondContact CA-OD1 3.49Å
41R78Confident88.2Confident214 Ų21465.4 Ų65.481%0.80836%0.36SS*.G310 helixtrans-66-15.1178.5-63.8-170.2174.6-160.4-3.1114.5V39V39-R41 HydrophobicContact CG1-CB 4.07Å; V39-R41 PolarHBondContact O-N 2.84Å
42C77.9Confident88.2Confident48 Ų4867.4 Ų67.432%0.32436%0.361SS..G310 helixtrans-114.438.9177.7-60.90000111.2V39 P40 T45 Q47V39-C42 HydrophobicContact CB-CB 4.48Å; V39-C42 HydrophobicContact CG1-CB 4.5Å; V39-C42 PolarHBondContact O-N 3.48Å; P40-C42 PolarHBondContact O-N 3.02Å; P40-C42 VanDerWaalsContact O-N 3.17Å; C42-T45 PolarHBondContact O-N 3.33Å; C42-T45 PolarHBondContact O-OG1 3.24Å; C42-Q47 HydrophobicContact CB-CG 4Å
43G79.4Confident88.2Confident65 Ų6566.9 Ų66.967%0.6736%0.358SS*.THydrogen-bonded Turntrans67.336.4177.100000113.9P40 T45P40-G43 PolarHBondContact O-N 3.17Å; G43-T45 PolarHBondContact O-N 2.89Å
44N83.4Confident88.2Confident112 Ų11268.7 Ų68.760%0.59937%0.366SS*.THydrogen-bonded Turntrans53.634-176.8-79.1-17000113.9V38 V39 P40V38-N44 HydrophobicContact CG1-CB 3.97Å; V38-N44 WeakPolarHBondContact CG1-O 3.47Å; V39-N44 PolarHBondContact O-N 3.12Å; P40-N44 VanDerWaalsContact CA-OD1 3.23Å; P40-N44 WeakPolarHBondContact CA-OD1 3.49Å
45T87.8Confident88.2Confident62 Ų6268 Ų6838%0.3836%0.361SS..EExtended strand (participates in β ladder)trans-92.3153.1174.260.50000111.2V39 C42 G43 Q47V39-T45 PolarHBondContact N-O 3.23Å; V39-T45 VanDerWaalsContact N-O 3.07Å; C42-T45 PolarHBondContact O-N 3.33Å; C42-T45 PolarHBondContact O-OG1 3.24Å; G43-T45 PolarHBondContact O-N 2.89Å; T45-Q47 PolarHBondContact O-N 3.45Å; T45-Q47 PolarHBondContact OG1-NE2 3.23Å
46Q91Very high88Confident145 Ų14570 Ų7068%0.67837%0.372SS*.EExtended strand (participates in β ladder)trans-72.8113.8176.5-169.9177.62000109.6
47Q91.7Very high87.8Confident58 Ų5870.7 Ų70.727%0.27137%0.372SS..EExtended strand (participates in β ladder)trans-126.4153.9-175.2-64.1-60.4-32.600111.9K22 S36 A37 V39 C42 T45 V49K22-Q47 HydrophobicContact CB-CB 3.81Å; K22-Q47 HydrophobicContact CB-CG 4.28Å; K22-Q47 HydrophobicContact CG-CB 3.99Å; K22-Q47 HydrophobicContact CG-CG 4.38Å; S36-Q47 CarbonylContact C-O 3.45Å; S36-Q47 VanDerWaalsContact CA-O 3.23Å; S36-Q47 WeakPolarHBondContact CA-O 3.49Å; A37-Q47 PolarHBondContact N-O 3.32Å; A37-Q47 PolarHBondContact O-N 2.93Å; V39-Q47 HydrophobicContact CB-CB 4.36Å; V39-Q47 HydrophobicContact CB-CG 4.49Å; V39-Q47 HydrophobicContact CG2-CB 3.9Å; C42-Q47 HydrophobicContact CB-CG 4Å; T45-Q47 PolarHBondContact O-N 3.45Å; T45-Q47 PolarHBondContact OG1-NE2 3.23Å; Q47-V49 PolarHBondContact O-N 3.27Å
48K93.3Very high87.5Confident98 Ų9874.7 Ų74.743%0.42640%0.396SS..EExtended strand (participates in β ladder)trans-68.2124.2174.6-74.3-70.6-177.2-166.80110.6K22 L33 S34 L35 S36K22-K48 PolarHBondContact N-O 3.44Å; L33-K48 HydrophobicContact CD2-CB 3.89Å; L33-K48 HydrophobicContact CG-CB 4.12Å; S34-K48 PolarHBondContact O-NZ 3.29Å; L35-K48 WeakPolarHBondContact O-CA 3.48Å; S36-K48 WeakPolarHBondContact OG-CD 3.49Å; S36-K48 PolarHBondContact OG-NZ 3.31Å
49V93.8Very high86.7Confident0 Ų080 Ų800%041%0.407CS..EExtended strand (participates in β ladder)trans-133.7153.5-176.1-66.80000111.7C21 N23 L35 A37 V39 Q47 C53 H54 L57C21-V49 VanDerWaalsContact SG-CA 3.56Å; N23-V49 HydrophobicContact CB-CG1 3.91Å; L35-V49 PolarHBondContact O-N 2.82Å; L35-V49 VanDerWaalsContact O-O 3.12Å; A37-V49 HydrophobicContact CB-CG2 3.64Å; V39-V49 HydrophobicContact CG2-CG1 3.45Å; V39-V49 VanDerWaalsContact CG2-CG1 3.45Å; Q47-V49 PolarHBondContact O-N 3.27Å; V49-C53 HydrophobicContact CB-CB 3.97Å; V49-C53 HydrophobicContact CG1-CB 4.47Å; V49-H54 HydrophobicContact CG2-CB 3.81Å; V49-L57 HydrophobicContact CG1-CD1 4.3Å
50C93.3Very high85.3Confident6 Ų682 Ų824%0.04143%0.429CS..  trans-71.4162.4175.973.50000110.7C21 F28 L33 Q52 C53 H54C21-C50 HydrophobicContact CB-CB 4.29Å; C21-C50 PolarHBondContact SG-N 3.31Å; F28-C50 HydrophobicContact CD1-CB 4.23Å; F28-C50 HydrophobicContact CD2-CB 3.95Å; F28-C50 HydrophobicContact CE1-CB 3.75Å; F28-C50 HydrophobicContact CE2-CB 3.45Å; F28-C50 VanDerWaalsContact CE2-CB 3.45Å; F28-C50 HydrophobicContact CG-CB 4.32Å; F28-C50 HydrophobicContact CZ-CB 3.34Å; L33-C50 HydrophobicContact CD1-CB 4.35Å; C50-Q52 PolarHBondContact O-N 3.47Å; C50-Q52 VanDerWaalsContact O-N 3.17Å; C50-C53 PolarHBondContact O-N 3.49Å; C50-C53 PolarHBondContact SG-N 2.86Å; C50-C53 PolarHBondContact SG-SG 3.22Å; C50-H54 WeakPolarHBondContact O-CB 3.36Å; C50-H54 PolarHBondContact O-N 3.18Å
51K90.1Very high84Confident132 Ų13288.3 Ų88.357%0.57445%0.451SS*.Hα-helixtrans-52.2-40.8-178.5-62.3-175.9-180-178.60113.7L35 H54 S55L35-K51 HydrophobicContact CD1-CB 4.32Å; L35-K51 HydrophobicContact CD1-CG 3.9Å; K51-H54 PolarHBondContact O-N 2.97Å; K51-S55 PolarHBondContact O-N 3.3Å; K51-S55 PolarHBondContact O-OG 2.87Å
52Q89.4Confident82.4Confident122 Ų12281.2 Ų81.257%0.5743%0.434SS*.Hα-helixtrans-67.7-41.1178.1-17063.846.800112.9C50 S55 N56C50-Q52 PolarHBondContact O-N 3.47Å; C50-Q52 VanDerWaalsContact O-N 3.17Å; Q52-S55 WeakPolarHBondContact CA-OG 3.23Å; Q52-S55 PolarHBondContact O-OG 2.76Å; Q52-N56 PolarHBondContact NE2-OD1 3.48Å; Q52-N56 WeakPolarHBondContact O-CB 3.39Å; Q52-N56 PolarHBondContact O-N 3.41Å; Q52-N56 VanDerWaalsContact O-N 3.1Å; Q52-N56 PolarHBondContact O-ND2 3.42Å; Q52-N56 PolarHBondContact O-OD1 2.88Å
53C90.4Very high81.2Confident9 Ų984.2 Ų84.26%0.06146%0.456CS..Hα-helixtrans-71.7-37.8177.8-70.80000111N23 V49 C50 N56 L57N23-C53 HydrophobicContact CB-CB 3.85Å; N23-C53 WeakPolarHBondContact ND2-CB 3.48Å; N23-C53 PolarHBondContact ND2-SG 2.95Å; V49-C53 HydrophobicContact CB-CB 3.97Å; V49-C53 HydrophobicContact CG1-CB 4.47Å; C50-C53 PolarHBondContact O-N 3.49Å; C50-C53 PolarHBondContact SG-N 2.86Å; C50-C53 PolarHBondContact SG-SG 3.22Å; C53-N56 PolarHBondContact O-N 3.46Å; C53-L57 VanDerWaalsContact O-CB 3.32Å; C53-L57 WeakPolarHBondContact O-CB 3.39Å; C53-L57 WeakPolarHBondContact O-CD1 3.27Å; C53-L57 WeakPolarHBondContact O-CG 3.2Å; C53-L57 PolarHBondContact O-N 3.05Å
54H92.1Very high79.6Confident47 Ų4787.2 Ų87.222%0.21846%0.457CS..Hα-helixtrans-59.3-49.5172.4-172-90.4000111.1L35 S36 V49 C50 K51 N56 L57 T58L35-H54 HydrophobicContact CB-CB 4.01Å; L35-H54 HydrophobicContact CD1-CB 3.85Å; S36-H54 PolarHBondContact O-CD2 3.01Å; S36-H54 PolarHBondContact O-NE2 3.17Å; V49-H54 HydrophobicContact CG2-CB 3.81Å; C50-H54 WeakPolarHBondContact O-CB 3.36Å; C50-H54 PolarHBondContact O-N 3.18Å; K51-H54 PolarHBondContact O-N 2.97Å; H54-N56 VanDerWaalsContact C-N 3.28Å; H54-N56 PolarHBondContact O-N 3.25Å; H54-L57 PolarHBondContact O-N 3.48Å; H54-T58 PolarHBondContact CE1-OG1 2.96Å; H54-T58 VanDerWaalsContact O-CB 3.27Å; H54-T58 WeakPolarHBondContact O-CB 3.14Å; H54-T58 PolarHBondContact O-N 3.03Å; H54-T58 PolarHBondContact O-OG1 2.62Å
55S88.4Confident77.9Confident46 Ų4687.3 Ų87.332%0.32246%0.457SS..Hα-helixtrans-59.8-38.9177.558.70000112.7K51 Q52 R59K51-S55 PolarHBondContact O-N 3.3Å; K51-S55 PolarHBondContact O-OG 2.87Å; Q52-S55 WeakPolarHBondContact CA-OG 3.23Å; Q52-S55 PolarHBondContact O-OG 2.76Å; S55-R59 WeakPolarHBondContact O-CB 3.32Å; S55-R59 PolarHBondContact O-N 3.12Å; S55-R59 VanDerWaalsContact O-N 3.13Å
56N87.9Confident76.1Confident100 Ų10088.2 Ų88.254%0.53547%0.471SS..Hα-helixtrans-72.3-36.5-179.2-66.3-2000112.3Q52 C53 H54Q52-N56 PolarHBondContact NE2-OD1 3.48Å; Q52-N56 WeakPolarHBondContact O-CB 3.39Å; Q52-N56 PolarHBondContact O-N 3.41Å; Q52-N56 VanDerWaalsContact O-N 3.1Å; Q52-N56 PolarHBondContact O-ND2 3.42Å; Q52-N56 PolarHBondContact O-OD1 2.88Å; C53-N56 PolarHBondContact O-N 3.46Å; H54-N56 VanDerWaalsContact C-N 3.28Å; H54-N56 PolarHBondContact O-N 3.25Å
57L86.2Confident74.3Confident54 Ų5484.5 Ų84.528%0.28347%0.471SS..Hα-helixtrans-80.3-33.8-179.7-67.5167.8000112.4N23 A37 V39 V49 C53 H54N23-L57 HydrophobicContact CB-CD1 4.24Å; A37-L57 HydrophobicContact CB-CB 3.94Å; A37-L57 HydrophobicContact CB-CD1 3.88Å; V39-L57 HydrophobicContact CG2-CD1 3.95Å; V49-L57 HydrophobicContact CG1-CD1 4.3Å; C53-L57 VanDerWaalsContact O-CB 3.32Å; C53-L57 WeakPolarHBondContact O-CB 3.39Å; C53-L57 WeakPolarHBondContact O-CD1 3.27Å; C53-L57 WeakPolarHBondContact O-CG 3.2Å; C53-L57 PolarHBondContact O-N 3.05Å; H54-L57 PolarHBondContact O-N 3.48Å
58T82.8Confident72.4Confident91 Ų9191 Ų9156%0.55849%0.493SS*.Hα-helixtrans-83.2-25.9-179.2-510000112.9H54 G60H54-T58 PolarHBondContact CE1-OG1 2.96Å; H54-T58 VanDerWaalsContact O-CB 3.27Å; H54-T58 WeakPolarHBondContact O-CB 3.14Å; H54-T58 PolarHBondContact O-N 3.03Å; H54-T58 PolarHBondContact O-OG1 2.62Å; T58-G60 VanDerWaalsContact C-N 3.27Å; T58-G60 PolarHBondContact O-N 3.43Å
59R74.6Confident70.3Confident190 Ų19097.2 Ų97.272%0.71751%0.514SS*.SBendtrans-80.1-7.1-176.5-158.8170.2-169.9-129.72.4113.8S55S55-R59 WeakPolarHBondContact O-CB 3.32Å; S55-R59 PolarHBondContact O-N 3.12Å; S55-R59 VanDerWaalsContact O-N 3.13Å
60G58.3Low68.7Low44 Ų44101.1 Ų101.145%0.45454%0.541SS..  trans61.3157.8-171.400000111.3T58 S62T58-G60 VanDerWaalsContact C-N 3.27Å; T58-G60 PolarHBondContact O-N 3.43Å; G60-S62 PolarHBondContact O-N 2.9Å; G60-S62 PolarHBondContact O-OG 2.72Å
61E53.6Low67.7Low211 Ų211103.6 Ų103.699%0.98656%0.557SS**SBendtrans-6483.9174.8-73.7174.9138.500110.9
62S44.9Very low67.1Low65 Ų65101.9 Ų101.946%0.45556%0.56SS.*  trans-104.888.3161.638.20000107.2G60 N64G60-S62 PolarHBondContact O-N 2.9Å; G60-S62 PolarHBondContact O-OG 2.72Å; S62-N64 PolarHBondContact O-N 2.95Å
63S53.7Low66.3Low112 Ų112102.1 Ų102.178%0.78356%0.561SS**  trans-50.6105.2163.2175.30000108.7
64N45.1Very low65.3Low127 Ų127107.3 Ų107.368%0.67959%0.588SS**  trans-137.469170.9-113.9-47.3000109.2S62 A66S62-N64 PolarHBondContact O-N 2.95Å; N64-A66 PolarHBondContact O-N 3.34Å; N64-A66 WeakPolarHBondContact OD1-CB 3.35Å
65N48.4Very low64.7Low115 Ų115111.7 Ų111.762%0.61560%0.604SS**  trans-78.931.5159.8-95.8-82.5000111.1R68N65-R68 PolarHBondContact OD1-NH1 3.49Å
66A50.1Low64.6Low81 Ų81114 Ų11467%0.66961%0.608SS**SBendtrans-83.2-11.817900000113.7N64N64-A66 PolarHBondContact O-N 3.34Å; N64-A66 WeakPolarHBondContact OD1-CB 3.35Å
67G52.5Low64.4Low66 Ų66115.6 Ų115.668%0.6861%0.61SS**SBendtrans-100.3-6.6-178.200000115.8W69G67-W69 VanDerWaalsContact C-N 3.32Å; G67-W69 PolarHBondContact O-N 3.21Å
68R50.8Low64Low195 Ų195120.9 Ų120.974%0.73663%0.626SS**THydrogen-bonded Turntrans-80.9-9.7-168.4-131.1174.392.6-158.312.2114.7N65N65-R68 PolarHBondContact OD1-NH1 3.49Å
69W49.7Very low63.8Low229 Ų229118.7 Ų118.787%0.86761%0.613SS**THydrogen-bonded Turntrans-137.745.9-173.8-136.9-67.5000113.1G67G67-W69 VanDerWaalsContact C-N 3.32Å; G67-W69 PolarHBondContact O-N 3.21Å
70S61Low64.2Low81 Ų81112.2 Ų112.257%0.56660%0.6SS**PPolyproline II helixtrans-103.9121.9160-87.10000108.9
71P71.1Confident65.1Low58 Ų58112.9 Ų112.938%0.37760%0.601SS.*PPolyproline II helixtrans-54.9142.2172.5-2634.2000110.9E73 Y75 K76P71-E73 PolarHBondContact O-N 3.1Å; P71-Y75 HydrophobicContact CB-CD1 3.78Å; P71-Y75 HydrophobicContact CB-CE1 4.46Å; P71-K76 HydrophobicContact CB-CG 4.4Å; P71-K76 WeakPolarHBondContact O-CE 3.28Å
72P77.8Confident66.2Low97 Ų97107.6 Ų107.663%0.6358%0.579SS**PPolyproline II helixtrans-51.7141.6179.7-27.734.5000112N74 Y75 K76P72-N74 PolarHBondContact O-N 3.42Å; P72-Y75 WeakPolarHBondContact O-CA 3.33Å; P72-Y75 WeakPolarHBondContact O-CB 3.2Å; P72-Y75 PolarHBondContact O-N 2.79Å; P72-K76 PolarHBondContact O-N 3.28Å
73E74.1Confident67.8Low127 Ų127110.9 Ų110.959%0.59359%0.587SS**Hα-helixtrans-49-37.2-176-15580.6-179.100113P71 Y75 K76 K77P71-E73 PolarHBondContact O-N 3.1Å; E73-Y75 VanDerWaalsContact C-N 3.34Å; E73-Y75 PolarHBondContact O-N 2.71Å; E73-K76 PolarHBondContact O-N 2.95Å; E73-K77 WeakPolarHBondContact O-CG 3.35Å; E73-K77 PolarHBondContact O-N 3.36Å; E73-K77 VanDerWaalsContact O-N 3.11Å
74N67.8Low68.8Low118 Ų118109.5 Ų109.563%0.63158%0.583SS**Hα-helixtrans-67.8-29.7178.8-91.2-56.1000114P72 R78P72-N74 PolarHBondContact O-N 3.42Å; N74-R78 WeakPolarHBondContact O-CB 3.49Å; N74-R78 PolarHBondContact O-N 3.47Å
75Y79.8Confident70Confident138 Ų138111.2 Ų111.254%0.54158%0.584SS.*Hα-helixtrans-72.1-46.6175.5179.9-97.6000110.2P71 P72 E73 K77 R78 V79P71-Y75 HydrophobicContact CB-CD1 3.78Å; P71-Y75 HydrophobicContact CB-CE1 4.46Å; P72-Y75 WeakPolarHBondContact O-CA 3.33Å; P72-Y75 WeakPolarHBondContact O-CB 3.2Å; P72-Y75 PolarHBondContact O-N 2.79Å; E73-Y75 VanDerWaalsContact C-N 3.34Å; E73-Y75 PolarHBondContact O-N 2.71Å; Y75-K77 VanDerWaalsContact C-N 3.33Å; Y75-K77 PolarHBondContact O-N 3.16Å; Y75-R78 WeakPolarHBondContact O-CB 3.43Å; Y75-R78 PolarHBondContact O-N 2.83Å; Y75-V79 HydrophobicContact CD1-CG2 4.1Å; Y75-V79 HydrophobicContact CE1-CG2 3.73Å; Y75-V79 HydrophobicContact CE2-CG2 4.26Å; Y75-V79 WeakPolarHBondContact O-CG2 2.92Å; Y75-V79 PolarHBondContact O-N 2.78Å
76K86.6Confident70.7Confident94 Ų94113.5 Ų113.541%0.40959%0.591SS.*Hα-helixtrans-57-44.2176.4-64.1176.2178171.40112.1P71 P72 E73 R78 V79 A80P71-K76 HydrophobicContact CB-CG 4.4Å; P71-K76 WeakPolarHBondContact O-CE 3.28Å; P72-K76 PolarHBondContact O-N 3.28Å; E73-K76 PolarHBondContact O-N 2.95Å; K76-R78 VanDerWaalsContact C-N 3.3Å; K76-R78 PolarHBondContact O-N 3.5Å; K76-V79 PolarHBondContact O-N 2.84Å; K76-A80 WeakPolarHBondContact O-CB 3.36Å; K76-A80 PolarHBondContact O-N 3.26Å
77K84.3Confident71Confident135 Ų135118.7 Ų118.759%0.58760%0.599SS**Hα-helixtrans-62.2-35.1175.6-72.1177.1-178.6-179.10113E73 Y75 A81E73-K77 WeakPolarHBondContact O-CG 3.35Å; E73-K77 PolarHBondContact O-N 3.36Å; E73-K77 VanDerWaalsContact O-N 3.11Å; Y75-K77 VanDerWaalsContact C-N 3.33Å; Y75-K77 PolarHBondContact O-N 3.16Å; K77-A81 WeakPolarHBondContact O-CB 3.48Å; K77-A81 PolarHBondContact O-N 3.33Å
78R78.1Confident70.8Confident164 Ų164121.5 Ų121.562%0.61961%0.605SS**Hα-helixtrans-74.8-40.1-179.6-149.4-175.7-53.3169.93.5111.6N74 Y75 K76 A81 L82N74-R78 WeakPolarHBondContact O-CB 3.49Å; N74-R78 PolarHBondContact O-N 3.47Å; Y75-R78 WeakPolarHBondContact O-CB 3.43Å; Y75-R78 PolarHBondContact O-N 2.83Å; K76-R78 VanDerWaalsContact C-N 3.3Å; K76-R78 PolarHBondContact O-N 3.5Å; R78-A81 PolarHBondContact O-N 2.86Å; R78-L82 VanDerWaalsContact O-CG 3.27Å; R78-L82 WeakPolarHBondContact O-CG 3.19Å; R78-L82 PolarHBondContact O-N 3.4Å; R78-L82 VanDerWaalsContact O-N 3.11Å
79V78.9Confident70.4Confident45 Ų45121.4 Ų121.427%0.27361%0.613SS.*Hα-helixtrans-65.7-46.9176.5177.30000110.5Y75 K76 A81 L82 E83Y75-V79 HydrophobicContact CD1-CG2 4.1Å; Y75-V79 HydrophobicContact CE1-CG2 3.73Å; Y75-V79 HydrophobicContact CE2-CG2 4.26Å; Y75-V79 WeakPolarHBondContact O-CG2 2.92Å; Y75-V79 PolarHBondContact O-N 2.78Å; K76-V79 PolarHBondContact O-N 2.84Å; V79-A81 VanDerWaalsContact C-N 3.29Å; V79-A81 PolarHBondContact O-N 3.2Å; V79-L82 PolarHBondContact O-N 3.11Å; V79-E83 HydrophobicContact CG1-CG 4.38Å; V79-E83 PolarHBondContact O-N 3.44Å
80A82.1Confident70Confident55 Ų55115.8 Ų115.846%0.45561%0.609SS.*Hα-helixtrans-59.1-38.3176.700000112.9K76 A84K76-A80 WeakPolarHBondContact O-CB 3.36Å; K76-A80 PolarHBondContact O-N 3.26Å; A80-A84 WeakPolarHBondContact O-CB 3.37Å; A80-A84 PolarHBondContact O-N 3.42Å
81A77.6Confident68.7Low58 Ų58118.3 Ų118.348%0.47962%0.621SS.*Hα-helixtrans-71.5-26.8176.500000113.7K77 R78 V79K77-A81 WeakPolarHBondContact O-CB 3.48Å; K77-A81 PolarHBondContact O-N 3.33Å; R78-A81 PolarHBondContact O-N 2.86Å; V79-A81 VanDerWaalsContact C-N 3.29Å; V79-A81 PolarHBondContact O-N 3.2Å
82L76.8Confident67.1Low99 Ų99124.2 Ų124.252%0.51864%0.643SS.*Hα-helixtrans-79.6-39.3175.2-71.5171.4000111.4R78 V79 K85 Q86R78-L82 VanDerWaalsContact O-CG 3.27Å; R78-L82 WeakPolarHBondContact O-CG 3.19Å; R78-L82 PolarHBondContact O-N 3.4Å; R78-L82 VanDerWaalsContact O-N 3.11Å; V79-L82 PolarHBondContact O-N 3.11Å; L82-K85 WeakPolarHBondContact O-CB 3.46Å; L82-K85 PolarHBondContact O-N 2.85Å; L82-K85 VanDerWaalsContact O-N 3.14Å; L82-Q86 PolarHBondContact O-N 3.38Å
83E78Confident65.4Low134 Ų134125.4 Ų125.463%0.62665%0.651SS**Hα-helixtrans-64.9-38.8174.7-73.1178.5154.400111.9V79 K85 Q86V79-E83 HydrophobicContact CG1-CG 4.38Å; V79-E83 PolarHBondContact O-N 3.44Å; E83-K85 PolarHBondContact O-N 3.46Å; E83-Q86 PolarHBondContact O-N 3.24Å
84A74.2Confident63.4Low83 Ų83122.3 Ų122.369%0.68665%0.653SS**THydrogen-bonded Turntrans-62.8-21.9173.700000113.5A80A80-A84 WeakPolarHBondContact O-CB 3.37Å; A80-A84 PolarHBondContact O-N 3.42Å
85K70.4Confident61.7Low163 Ų163122.3 Ų122.371%0.70966%0.657SS**THydrogen-bonded Turntrans-91.3-13.2179.8-102.8166.6165.9177.70114.4L82 E83L82-K85 WeakPolarHBondContact O-CB 3.46Å; L82-K85 PolarHBondContact O-N 2.85Å; L82-K85 VanDerWaalsContact O-N 3.14Å; E83-K85 PolarHBondContact O-N 3.46Å
86Q63.8Low59.5Low164 Ų164124.3 Ų124.377%0.76667%0.671SS**SBendtrans-97.4-2-174.2-79.6-171.426.900115.1L82 E83L82-Q86 PolarHBondContact O-N 3.38Å; E83-Q86 PolarHBondContact O-N 3.24Å
87K55.9Low56.9Low189 Ų189124 Ų12482%0.82269%0.694SS**SBendtrans-77.1127.1170.2-85.8-178.1176.6177.90110.7Q89K87-Q89 PolarHBondContact O-N 2.87Å
88P47.7Very low54.5Low126 Ų126121.3 Ų121.382%0.81871%0.706SS**  trans-84.5112177.831.7-29.2000110.3
89Q42.8Very low52.6Low193 Ų193118.7 Ų118.790%0.90271%0.713SS**  trans-133.7115.3154.1-87.3-171.3-28.700109.9K87K87-Q89 PolarHBondContact O-N 2.87Å
90S40.8Very low51.2Low111 Ų111127.3 Ų127.378%0.77674%0.74SS**  trans-69.6120.7160170.40000109.1
91T34.7Very low49Very low134 Ų134131.9 Ų131.982%0.82276%0.757SS**  168.6135.4125.435.20000109.9
92Q37.7Very low47.5Very low181 Ų181133.3 Ų133.385%0.84678%0.777SS**  trans-71.9179-179.5-66.2-78-36.300111.9
93P41.5Very low45.6Very low123 Ų123137.8 Ų137.880%0.79979%0.793SS**  cis-135.8166.54.837.8-18.9000115.8
94G31.6Very low43.8Very low62 Ų62136.7 Ų136.764%0.63980%0.8SS**  trans118.5101.114600000118.7
95V32.4Very low42.1Very low118 Ų118138.3 Ų138.372%0.71580%0.801SS**  trans65132.6136.9-142.70000120.6
96H34.3Very low41.1Very low179 Ų179138.4 Ų138.483%0.82980%0.804SS**  trans108.1116.1158.3-50.9-63.5000116
97G32.3Very low40.7Very low87 Ų87136.8 Ų136.890%0.89780%0.799SS**  trans-78.7-175.1-162.300000116
98G33.3Very low40.6Very low80 Ų80132.9 Ų132.983%0.82579%0.793SS**  cis-171.31406.300000107.6
99S39Very low41Very low109 Ų109130.1 Ų130.176%0.76277%0.774SS**  trans-93143.2178.5-1750000111.4
100R48.8Very low41.8Very low226 Ų226130.5 Ų130.585%0.85377%0.773SS**  trans-39.4133.6171.3-63.2166.1162.3167.4-6.4114.3
101N36Very low42.7Very low151 Ų151128.9 Ų128.981%0.80777%0.774SS**  177.1144.5121.6-97.74.5000110K103N101-K103 PolarHBondContact O-N 3.39Å
102G45.2Very low44Very low88 Ų88127 Ų12791%0.90776%0.758SS**  trans-52.3101-178.700000112.2
103K37.4Very low45.8Very low193 Ų193120.7 Ų120.784%0.83973%0.734SS**  trans-98.7118.1160.5-70.5-179.7178.1-179.30105.6N101 V105N101-K103 PolarHBondContact O-N 3.39Å; K103-V105 PolarHBondContact O-N 3.27Å
104S40.2Very low47.8Very low111 Ų111123.1 Ų123.178%0.77673%0.732SS**  trans-46.9116.2162.546.90000108H106S104-H106 PolarHBondContact O-N 2.96Å
105V37.8Very low50.1Low117 Ų117125.9 Ų125.971%0.70973%0.728SS**  trans-54.6109.9171.7178.20000106.6K103 L107K103-V105 PolarHBondContact O-N 3.27Å; V105-L107 HydrophobicContact CG1-CD2 4.27Å; V105-L107 HydrophobicContact CG1-CG 4.04Å; V105-L107 PolarHBondContact O-N 2.93Å
106H48.8Very low52.2Low165 Ų165123.7 Ų123.776%0.76471%0.712SS**  trans-69.990.4161.3-169.8-75.3000105.4S104S104-H106 PolarHBondContact O-N 2.96Å
107L56.3Low54.6Low130 Ų130120 Ų12068%0.68169%0.692SS**  trans-57.7128.7168.4-78.4158.7000106.8V105 T109V105-L107 HydrophobicContact CG1-CD2 4.27Å; V105-L107 HydrophobicContact CG1-CG 4.04Å; V105-L107 PolarHBondContact O-N 2.93Å; L107-T109 PolarHBondContact O-N 3.42Å; L107-T109 VanDerWaalsContact O-N 3.09Å
108P53.6Low57.2Low107 Ų107118.3 Ų118.370%0.69567%0.67SS**  trans-63.6117.117324.2-28.7000107.5K110P108-K110 PolarHBondContact O-N 3.13Å
109T56.2Low59.5Low67 Ų67119 Ų11941%0.41165%0.654SS.*  trans-68.314.7-18046.50000113.4L107 G111 Y117L107-T109 PolarHBondContact O-N 3.42Å; L107-T109 VanDerWaalsContact O-N 3.09Å; T109-G111 PolarHBondContact O-N 3.08Å; T109-Y117 VanDerWaalsContact CB-OH 3.3Å; T109-Y117 WeakPolarHBondContact CB-OH 3.43Å; T109-Y117 HydrophobicContact CG2-CE1 4.21Å; T109-Y117 PolarHBondContact O-OH 2.92Å; T109-Y117 PolarHBondContact OG1-OH 2.77Å
110K59.5Low61.5Low202 Ų202116 Ų11688%0.87864%0.635SS**THydrogen-bonded Turntrans-80.584.3-177.4-154.282.1-179.6-175.60110.1P108P108-K110 PolarHBondContact O-N 3.13Å
111G60.1Low63.4Low77 Ų77112 Ų11279%0.79463%0.626SS**THydrogen-bonded Turntrans149.84.2168.700000117.6T109T109-G111 PolarHBondContact O-N 3.08Å
112L62Low65.8Low93 Ų93113.9 Ų113.949%0.48762%0.622SS.*  trans-87.4148.6-177.7-67.3176.3000112.4D116 Y117L112-D116 HydrophobicContact CB-CB 3.89Å; L112-D116 HydrophobicContact CD1-CB 4.46Å; L112-D116 HydrophobicContact CD2-CB 4.34Å; L112-D116 HydrophobicContact CG-CB 4.46Å; L112-Y117 HydrophobicContact CB-CD2 3.94Å; L112-Y117 HydrophobicContact CB-CE2 4.01Å
113S75.4Confident67.6Low50 Ų50114.8 Ų114.835%0.3561%0.606SS.*  trans-63.5162.3174.471.40000111E115 D116 Y117S113-E115 WeakPolarHBondContact CB-OE2 3.5Å; S113-E115 PolarHBondContact O-N 3.04Å; S113-E115 PolarHBondContact OG-OE2 3.02Å; S113-D116 PolarHBondContact O-N 2.97Å; S113-D116 PolarHBondContact OG-N 3.25Å; S113-D116 PolarHBondContact OG-OD2 3.06Å; S113-Y117 PolarHBondContact O-N 3.35Å; S113-Y117 VanDerWaalsContact O-N 3.16Å
114K83.6Confident69.8Low174 Ų174111.3 Ų111.376%0.75759%0.593SS**Hα-helixtrans-62.7-30.4-176.1-168.8177.6-179.1-174.60111.4A118K114-A118 PolarHBondContact O-N 3.46Å
115E80.4Confident71.9Confident120 Ų120112.8 Ų112.856%0.56159%0.585SS**Hα-helixtrans-70.7-44178.4-61.966.6-144.500110.7S113 Y117 A118 I119S113-E115 WeakPolarHBondContact CB-OE2 3.5Å; S113-E115 PolarHBondContact O-N 3.04Å; S113-E115 PolarHBondContact OG-OE2 3.02Å; E115-Y117 VanDerWaalsContact C-N 3.3Å; E115-Y117 PolarHBondContact O-N 3.12Å; E115-A118 PolarHBondContact O-N 3.07Å; E115-I119 VanDerWaalsContact O-CG1 3.28Å; E115-I119 WeakPolarHBondContact O-CG1 3.36Å; E115-I119 PolarHBondContact O-N 2.85Å
116D76.8Confident73.9Confident71 Ų71111.6 Ų111.638%0.3857%0.574SS.*Hα-helixtrans-65.8-33.9178.4-67.2-39000112.3L112 S113 I119 A120L112-D116 HydrophobicContact CB-CB 3.89Å; L112-D116 HydrophobicContact CD1-CB 4.46Å; L112-D116 HydrophobicContact CD2-CB 4.34Å; L112-D116 HydrophobicContact CG-CB 4.46Å; S113-D116 PolarHBondContact O-N 2.97Å; S113-D116 PolarHBondContact OG-N 3.25Å; S113-D116 PolarHBondContact OG-OD2 3.06Å; D116-I119 PolarHBondContact O-N 2.73Å; D116-A120 WeakPolarHBondContact O-CB 3.35Å; D116-A120 PolarHBondContact O-N 3.32Å
117Y83.8Confident75.2Confident101 Ų101111.4 Ų111.440%0.39657%0.571SS.*Hα-helixtrans-64.7-43.7172-96.1-80.7000112.5T109 L112 S113 E115 I119 A120 E121T109-Y117 VanDerWaalsContact CB-OH 3.3Å; T109-Y117 WeakPolarHBondContact CB-OH 3.43Å; T109-Y117 HydrophobicContact CG2-CE1 4.21Å; T109-Y117 PolarHBondContact O-OH 2.92Å; T109-Y117 PolarHBondContact OG1-OH 2.77Å; L112-Y117 HydrophobicContact CB-CD2 3.94Å; L112-Y117 HydrophobicContact CB-CE2 4.01Å; S113-Y117 PolarHBondContact O-N 3.35Å; S113-Y117 VanDerWaalsContact O-N 3.16Å; E115-Y117 VanDerWaalsContact C-N 3.3Å; E115-Y117 PolarHBondContact O-N 3.12Å; Y117-I119 VanDerWaalsContact C-N 3.3Å; Y117-I119 PolarHBondContact O-N 3.17Å; Y117-A120 PolarHBondContact O-N 3.12Å; Y117-E121 PolarHBondContact O-N 3.14Å
118A86.3Confident76.1Confident53 Ų53111 Ų11144%0.43857%0.566SS.*Hα-helixtrans-65.2-36.2178.100000111.8K114 E115 R122K114-A118 PolarHBondContact O-N 3.46Å; E115-A118 PolarHBondContact O-N 3.07Å; A118-R122 WeakPolarHBondContact O-CB 3.45Å; A118-R122 PolarHBondContact O-N 3.5Å
119I81.9Confident76.8Confident94 Ų94111.1 Ų111.148%0.48256%0.561SS.*Hα-helixtrans-67-44.3174.8-64.4162.7000110.3E115 D116 Y117 E121 R122 L123E115-I119 VanDerWaalsContact O-CG1 3.28Å; E115-I119 WeakPolarHBondContact O-CG1 3.36Å; E115-I119 PolarHBondContact O-N 2.85Å; D116-I119 PolarHBondContact O-N 2.73Å; Y117-I119 VanDerWaalsContact C-N 3.3Å; Y117-I119 PolarHBondContact O-N 3.17Å; I119-E121 PolarHBondContact O-N 3.09Å; I119-R122 PolarHBondContact O-N 2.8Å; I119-L123 HydrophobicContact CG2-CD1 3.91Å; I119-L123 HydrophobicContact CG2-CG 4.33Å; I119-L123 WeakPolarHBondContact O-CB 3.42Å; I119-L123 VanDerWaalsContact O-CG 3.26Å; I119-L123 WeakPolarHBondContact O-CG 3.08Å; I119-L123 PolarHBondContact O-N 2.69Å
120A82.4Confident77.2Confident46 Ų46113 Ų11338%0.3857%0.572SS.*Hα-helixtrans-61.4-42.5178.300000112.5D116 Y117 L123 Q124D116-A120 WeakPolarHBondContact O-CB 3.35Å; D116-A120 PolarHBondContact O-N 3.32Å; Y117-A120 PolarHBondContact O-N 3.12Å; A120-L123 PolarHBondContact O-N 2.94Å; A120-Q124 PolarHBondContact O-N 2.87Å
121E88.1Confident77.6Confident142 Ų142111 Ų11166%0.66456%0.563SS**Hα-helixtrans-63.9-44.3176-173.7179.4-159.400111.6Y117 I119 L123 Q124 K125Y117-E121 PolarHBondContact O-N 3.14Å; I119-E121 PolarHBondContact O-N 3.09Å; E121-L123 VanDerWaalsContact C-N 3.33Å; E121-L123 PolarHBondContact O-N 3Å; E121-Q124 PolarHBondContact O-N 3.21Å; E121-K125 PolarHBondContact O-N 3.38Å
122R87Confident77.5Confident190 Ų190112.8 Ų112.872%0.71756%0.561SS**Hα-helixtrans-62.4-40177-169.8177.3-171.4176.32.9112.2A118 I119 K125 L126A118-R122 WeakPolarHBondContact O-CB 3.45Å; A118-R122 PolarHBondContact O-N 3.5Å; I119-R122 PolarHBondContact O-N 2.8Å; R122-K125 PolarHBondContact O-N 3.02Å; R122-L126 HydrophobicContact CG-CD1 4.39Å; R122-L126 WeakPolarHBondContact O-CG 3.4Å; R122-L126 PolarHBondContact O-N 3.02Å
123L82.7Confident77.4Confident108 Ų108117.1 Ų117.157%0.56558%0.576SS**Hα-helixtrans-67-36.4175.9-72.8172.6000112I119 A120 E121 K127I119-L123 HydrophobicContact CG2-CD1 3.91Å; I119-L123 HydrophobicContact CG2-CG 4.33Å; I119-L123 WeakPolarHBondContact O-CB 3.42Å; I119-L123 VanDerWaalsContact O-CG 3.26Å; I119-L123 WeakPolarHBondContact O-CG 3.08Å; I119-L123 PolarHBondContact O-N 2.69Å; A120-L123 PolarHBondContact O-N 2.94Å; E121-L123 VanDerWaalsContact C-N 3.33Å; E121-L123 PolarHBondContact O-N 3Å; L123-K127 WeakPolarHBondContact O-CB 3.2Å; L123-K127 PolarHBondContact O-N 3.23Å; L123-K127 VanDerWaalsContact O-N 3.16Å
124Q82.4Confident77.1Confident120 Ų120120 Ų12056%0.56160%0.596SS**Hα-helixtrans-65.1-45.2175-175.8175.3-22.500111.3A120 E121 K127 E128A120-Q124 PolarHBondContact O-N 2.87Å; E121-Q124 PolarHBondContact O-N 3.21Å; Q124-K127 WeakPolarHBondContact O-CB 3.41Å; Q124-K127 PolarHBondContact O-N 2.92Å; Q124-K127 VanDerWaalsContact O-N 3.11Å; Q124-E128 PolarHBondContact NE2-OE1 2.75Å; Q124-E128 PolarHBondContact O-N 3.48Å; Q124-E128 VanDerWaalsContact O-N 3.13Å
125K85.8Confident76Confident141 Ų141118.9 Ų118.961%0.61360%0.597SS**Hα-helixtrans-62.8-44.2178.9-163.5167.9-176.6173.50112.6E121 R122 K127 E128 D129E121-K125 PolarHBondContact O-N 3.38Å; R122-K125 PolarHBondContact O-N 3.02Å; K125-K127 PolarHBondContact O-N 3.06Å; K125-E128 PolarHBondContact O-N 2.92Å; K125-E128 VanDerWaalsContact O-N 3.14Å; K125-D129 PolarHBondContact O-N 2.84Å
126L79.5Confident75.5Confident93 Ų93116.3 Ų116.349%0.48759%0.591SS.*Hα-helixtrans-60.5-31.9173.8-77.5166.4000112.9R122 T130R122-L126 HydrophobicContact CG-CD1 4.39Å; R122-L126 WeakPolarHBondContact O-CG 3.4Å; R122-L126 PolarHBondContact O-N 3.02Å; L126-T130 WeakPolarHBondContact O-CB 3.07Å; L126-T130 WeakPolarHBondContact O-CG2 3.44Å; L126-T130 PolarHBondContact O-N 3.34Å; L126-T130 VanDerWaalsContact O-N 3.09Å; L126-T130 PolarHBondContact O-OG1 3.08Å
127K75.7Confident75.6Confident160 Ų160116.6 Ų116.670%0.69660%0.598SS**Hα-helixtrans-75.3-27.1178.5-161.6176.5-177.3-178.50112.9L123 Q124 K125 T130L123-K127 WeakPolarHBondContact O-CB 3.2Å; L123-K127 PolarHBondContact O-N 3.23Å; L123-K127 VanDerWaalsContact O-N 3.16Å; Q124-K127 WeakPolarHBondContact O-CB 3.41Å; Q124-K127 PolarHBondContact O-N 2.92Å; Q124-K127 VanDerWaalsContact O-N 3.11Å; K125-K127 PolarHBondContact O-N 3.06Å; K127-T130 WeakPolarHBondContact CA-OG1 3.34Å
128E74.9Confident75.5Confident122 Ų122118.9 Ų118.957%0.5761%0.612SS**Hα-helixtrans-76.1-40.7173-69.2172-169.100110.8Q124 K125 K131Q124-E128 PolarHBondContact NE2-OE1 2.75Å; Q124-E128 PolarHBondContact O-N 3.48Å; Q124-E128 VanDerWaalsContact O-N 3.13Å; K125-E128 PolarHBondContact O-N 2.92Å; K125-E128 VanDerWaalsContact O-N 3.14Å; E128-K131 WeakPolarHBondContact O-CB 3.26Å; E128-K131 PolarHBondContact O-N 3.49Å
129D69.4Low75.4Confident110 Ų110124.2 Ų124.259%0.58863%0.626SS**Hα-helixtrans-72.6-27.4179.7-69.5-27.6000114.1K125K125-D129 PolarHBondContact O-N 2.84Å
130T64.5Low75.6Confident107 Ų107124.5 Ų124.566%0.65663%0.625SS**THydrogen-bonded Turntrans-86.3-2.2177.148.40000114L126 K127 P132L126-T130 WeakPolarHBondContact O-CB 3.07Å; L126-T130 WeakPolarHBondContact O-CG2 3.44Å; L126-T130 PolarHBondContact O-N 3.34Å; L126-T130 VanDerWaalsContact O-N 3.09Å; L126-T130 PolarHBondContact O-OG1 3.08Å; K127-T130 WeakPolarHBondContact CA-OG1 3.34Å; T130-P132 WeakPolarHBondContact O-CD 3.43Å
131K66.5Low75.6Confident158 Ų158126 Ų12669%0.68763%0.626SS**SBendtrans-69.6122.2172.4-162.1173.6-175.9-174.90108.1E128 K133E128-K131 WeakPolarHBondContact O-CB 3.26Å; E128-K131 PolarHBondContact O-N 3.49Å; K131-K133 PolarHBondContact O-N 3.31Å
132P57.7Low75.4Confident115 Ų115124.6 Ų124.675%0.74762%0.619SS**PPolyproline II helixtrans-56.1129178.321.4-30.8000108.5T130 S134T130-P132 WeakPolarHBondContact O-CD 3.43Å; P132-S134 PolarHBondContact O-N 2.95Å; P132-S134 VanDerWaalsContact O-N 3.17Å
133K61.8Low75.3Confident185 Ų185119.4 Ų119.480%0.80461%0.612SS**PPolyproline II helixtrans-50126.8175.7-78.180.6177.9175.60106.9K131 I135K131-K133 PolarHBondContact O-N 3.31Å; K133-I135 PolarHBondContact O-N 3.03Å
134S67.3Low75.3Confident109 Ų109122.3 Ų122.376%0.76262%0.615SS**PPolyproline II helixtrans-52.7134.8-179.248.50000109.5P132P132-S134 PolarHBondContact O-N 2.95Å; P132-S134 VanDerWaalsContact O-N 3.17Å
135I61.6Low75.1Confident152 Ų152120.9 Ų120.978%0.77961%0.611SS**PPolyproline II helixtrans-49.1126.4172.6-58.2168.3000107.3K133 S137K133-I135 PolarHBondContact O-N 3.03Å; I135-S137 PolarHBondContact O-N 2.87Å
136P70.4Confident74.9Confident66 Ų66116.8 Ų116.843%0.42960%0.604SS.*PPolyproline II helixtrans-50141.1177.4-28.535.7000111I141P136-I141 HydrophobicContact CB-CG1 4.21Å
137S77.8Confident74.9Confident77 Ų77115.9 Ų115.954%0.53861%0.609SS.*PPolyproline II helixtrans-60.7146-178.9179.70000110.3I135 K139 E140 I141I135-S137 PolarHBondContact O-N 2.87Å; S137-K139 PolarHBondContact O-N 2.98Å; S137-K139 VanDerWaalsContact O-N 3.07Å; S137-E140 WeakPolarHBondContact O-CA 3.44Å; S137-E140 WeakPolarHBondContact O-CB 3.3Å; S137-E140 PolarHBondContact O-N 2.82Å; S137-I141 PolarHBondContact O-N 2.93Å; S137-I141 VanDerWaalsContact O-N 3.09Å
138E81.8Confident74.6Confident148 Ų148115.2 Ų115.269%0.69261%0.612SS**Hα-helixtrans-49.7-37.8177.1-169.1166.7-161.600111.6E140 I141 E142E138-E140 VanDerWaalsContact C-N 3.35Å; E138-E140 PolarHBondContact O-N 3.3Å; E138-I141 PolarHBondContact O-N 3.47Å; E138-E142 WeakPolarHBondContact O-CB 3.48Å; E138-E142 VanDerWaalsContact O-CG 3.28Å; E138-E142 WeakPolarHBondContact O-CG 3.26Å; E138-E142 PolarHBondContact O-N 2.8Å
139K84.7Confident74.3Confident166 Ų166117.6 Ų117.672%0.72262%0.621SS**Hα-helixtrans-64.5-33175.7-167.4175.8-177.21780114.3S137 S143S137-K139 PolarHBondContact O-N 2.98Å; S137-K139 VanDerWaalsContact O-N 3.07Å; K139-S143 WeakPolarHBondContact O-CB 3.16Å; K139-S143 PolarHBondContact O-N 3.32Å; K139-S143 VanDerWaalsContact O-N 3.08Å
140E86.3Confident73.9Confident100 Ų100117.1 Ų117.147%0.46762%0.622SS.*Hα-helixtrans-76.4-38.1177-168-17816500110.7S137 E138 S143 R144S137-E140 WeakPolarHBondContact O-CA 3.44Å; S137-E140 WeakPolarHBondContact O-CB 3.3Å; S137-E140 PolarHBondContact O-N 2.82Å; E138-E140 VanDerWaalsContact C-N 3.35Å; E138-E140 PolarHBondContact O-N 3.3Å; E140-S143 PolarHBondContact O-N 3.37Å; E140-R144 WeakPolarHBondContact O-CG 3.46Å; E140-R144 PolarHBondContact O-N 3.07Å
141I81.4Confident73.5Confident77 Ų77116.6 Ų116.640%0.39562%0.621SS.*Hα-helixtrans-63.6-46.6173.9-60.4170.9000109.7P136 S137 E138 S143 R144 L145P136-I141 HydrophobicContact CB-CG1 4.21Å; S137-I141 PolarHBondContact O-N 2.93Å; S137-I141 VanDerWaalsContact O-N 3.09Å; E138-I141 PolarHBondContact O-N 3.47Å; I141-S143 PolarHBondContact O-N 3.2Å; I141-R144 PolarHBondContact O-N 3.44Å; I141-L145 HydrophobicContact CG2-CD1 3.91Å; I141-L145 HydrophobicContact CG2-CG 4.4Å; I141-L145 WeakPolarHBondContact O-CB 3.18Å; I141-L145 VanDerWaalsContact O-CG 3.31Å; I141-L145 WeakPolarHBondContact O-CG 3.12Å; I141-L145 PolarHBondContact O-N 2.93Å
142E83.5Confident73.3Confident113 Ų113115 Ų11553%0.52863%0.63SS.*Hα-helixtrans-59.1-43.4175.2-75.1174.3174.700112.3E138 R144 L145 A146E138-E142 WeakPolarHBondContact O-CB 3.48Å; E138-E142 VanDerWaalsContact O-CG 3.28Å; E138-E142 WeakPolarHBondContact O-CG 3.26Å; E138-E142 PolarHBondContact O-N 2.8Å; E142-R144 VanDerWaalsContact C-N 3.32Å; E142-R144 PolarHBondContact O-N 3.11Å; E142-L145 PolarHBondContact O-N 3.49Å; E142-A146 WeakPolarHBondContact O-CB 3.41Å; E142-A146 PolarHBondContact O-N 2.95Å
143S85.3Confident73.4Confident80 Ų80117 Ų11756%0.55963%0.629SS**Hα-helixtrans-63.3-38.2177.5-1710000112.3K139 E140 I141 A147K139-S143 WeakPolarHBondContact O-CB 3.16Å; K139-S143 PolarHBondContact O-N 3.32Å; K139-S143 VanDerWaalsContact O-N 3.08Å; E140-S143 PolarHBondContact O-N 3.37Å; I141-S143 PolarHBondContact O-N 3.2Å; S143-A147 PolarHBondContact O-N 3.15Å; S143-A147 VanDerWaalsContact O-N 3.13Å
144R82.5Confident73.6Confident169 Ų169113.9 Ų113.964%0.63863%0.627SS**Hα-helixtrans-71.1-39.5177.1-70.5174.571.81412.8111.7E140 I141 E142 A147 L148E140-R144 WeakPolarHBondContact O-CG 3.46Å; E140-R144 PolarHBondContact O-N 3.07Å; I141-R144 PolarHBondContact O-N 3.44Å; E142-R144 VanDerWaalsContact C-N 3.32Å; E142-R144 PolarHBondContact O-N 3.11Å; R144-A147 PolarHBondContact O-N 2.9Å; R144-L148 WeakPolarHBondContact O-CG 3.45Å; R144-L148 PolarHBondContact O-N 2.89Å; R144-L148 VanDerWaalsContact O-N 3.16Å
145L79.4Confident73.5Confident91 Ų91114.7 Ų114.748%0.47663%0.628SS.*Hα-helixtrans-67-36.7175.4-70.4171.9000112I141 E142 L148 K149I141-L145 HydrophobicContact CG2-CD1 3.91Å; I141-L145 HydrophobicContact CG2-CG 4.4Å; I141-L145 WeakPolarHBondContact O-CB 3.18Å; I141-L145 VanDerWaalsContact O-CG 3.31Å; I141-L145 WeakPolarHBondContact O-CG 3.12Å; I141-L145 PolarHBondContact O-N 2.93Å; E142-L145 PolarHBondContact O-N 3.49Å; L145-L148 PolarHBondContact O-N 2.94Å; L145-K149 WeakPolarHBondContact O-CG 3.4Å; L145-K149 PolarHBondContact O-N 3.3Å
146A80.6Confident73.8Confident55 Ų55110.9 Ų110.946%0.45561%0.612SS.*Hα-helixtrans-66.4-40.7175.300000112.1E142 L148 K149 T150E142-A146 WeakPolarHBondContact O-CB 3.41Å; E142-A146 PolarHBondContact O-N 2.95Å; A146-L148 VanDerWaalsContact C-N 3.29Å; A146-L148 PolarHBondContact O-N 3.14Å; A146-K149 PolarHBondContact O-N 3.04Å; A146-T150 PolarHBondContact O-OG1 2.99Å; A146-T150 VanDerWaalsContact O-OG1 3.12Å
147A79.7Confident74.1Confident73 Ų73110.5 Ų110.560%0.60361%0.612SS**Hα-helixtrans-63.3-35175.200000112.5S143 R144S143-A147 PolarHBondContact O-N 3.15Å; S143-A147 VanDerWaalsContact O-N 3.13Å; R144-A147 PolarHBondContact O-N 2.9Å
148L70.2Confident74Confident146 Ų146110.3 Ų110.376%0.76461%0.61SS**Hα-helixtrans-78.1-26.2177.6-71.1167.3000113.8R144 L145 A146 T150R144-L148 WeakPolarHBondContact O-CG 3.45Å; R144-L148 PolarHBondContact O-N 2.89Å; R144-L148 VanDerWaalsContact O-N 3.16Å; L145-L148 PolarHBondContact O-N 2.94Å; A146-L148 VanDerWaalsContact C-N 3.29Å; A146-L148 PolarHBondContact O-N 3.14Å; L148-T150 VanDerWaalsContact C-N 3.26Å; L148-T150 PolarHBondContact O-N 2.8Å
149K67.9Low73.9Confident173 Ų173108.5 Ų108.575%0.75260%0.602SS**THydrogen-bonded Turntrans-78.3-6.9177.4-80179.1178.9-177.10114L145 A146 P151L145-K149 WeakPolarHBondContact O-CG 3.4Å; L145-K149 PolarHBondContact O-N 3.3Å; A146-K149 PolarHBondContact O-N 3.04Å; K149-P151 VanDerWaalsContact O-CD 3.3Å; K149-P151 WeakPolarHBondContact O-CD 3.41Å
150T61.4Low73.8Confident100 Ų100105.1 Ų105.161%0.61359%0.592SS**SBendtrans-91.4107.3176.5-43.70000107.6A146 L148 S152A146-T150 PolarHBondContact O-OG1 2.99Å; A146-T150 VanDerWaalsContact O-OG1 3.12Å; L148-T150 VanDerWaalsContact C-N 3.26Å; L148-T150 PolarHBondContact O-N 2.8Å; T150-S152 PolarHBondContact O-N 3.03Å; T150-S152 VanDerWaalsContact O-N 3.12Å
151P56.4Low73.5Confident96 Ų96105.1 Ų105.162%0.62359%0.593SS**  trans-62.9119.5178.2-1529.9000108K149 Q153K149-P151 VanDerWaalsContact O-CD 3.3Å; K149-P151 WeakPolarHBondContact O-CD 3.41Å; P151-Q153 WeakPolarHBondContact CB-O 3.44Å; P151-Q153 PolarHBondContact O-N 3.42Å; P151-Q153 VanDerWaalsContact O-N 3.09Å
152S61.3Low73.6Confident125 Ų125106.5 Ų106.587%0.87460%0.598SS**SBendtrans-66.6-6.7-18043.30000113.4T150T150-S152 PolarHBondContact O-N 3.03Å; T150-S152 VanDerWaalsContact O-N 3.12Å
153Q61.2Low73.6Confident156 Ų156102.8 Ų102.873%0.72958%0.582SS**SBendtrans-142.2141.6167.2-69.9-171.9-31.300110P151 V155P151-Q153 WeakPolarHBondContact CB-O 3.44Å; P151-Q153 PolarHBondContact O-N 3.42Å; P151-Q153 VanDerWaalsContact O-N 3.09Å; Q153-V155 PolarHBondContact O-N 3.39Å
154P66Low73.4Confident119 Ų119108 Ų10877%0.77359%0.589SS**PPolyproline II helixtrans-59.1130.8168.325.5-31000108.5P156P154-P156 WeakPolarHBondContact O-CD 3.16Å
155V63.5Low73.4Confident127 Ų127104.6 Ų104.677%0.7758%0.583SS**PPolyproline II helixtrans-58.9122.3173.6-175.30000106.8Q153 S157Q153-V155 PolarHBondContact O-N 3.39Å; V155-S157 PolarHBondContact O-N 3.29Å
156P68.6Low73.5Confident71 Ų71100.8 Ų100.846%0.46157%0.565SS.*PPolyproline II helixtrans-54.7139.8179.3-26.235000110.8P154 D160 M161P154-P156 WeakPolarHBondContact O-CD 3.16Å; P156-D160 HydrophobicContact CB-CB 4.14Å; P156-M161 HydrophobicContact CB-CG 4.42Å
157S76.6Confident73.7Confident59 Ų59101.5 Ų101.541%0.41357%0.57SS.*PPolyproline II helixtrans-62.1156.8178.9-177.40000110.3V155 E159 D160 M161V155-S157 PolarHBondContact O-N 3.29Å; S157-E159 PolarHBondContact O-N 2.9Å; S157-D160 PolarHBondContact N-OD2 3.35Å; S157-D160 VanDerWaalsContact N-OD2 3.17Å; S157-D160 WeakPolarHBondContact O-CB 3.27Å; S157-D160 PolarHBondContact O-N 3.03Å; S157-M161 PolarHBondContact O-N 2.89Å; S157-M161 VanDerWaalsContact O-N 3.12Å
158S76.4Confident73.7Confident73 Ų73104.7 Ų104.751%0.5158%0.577SS.*Hα-helixtrans-54.6-36.3173.161.60000111.7M161 E162S158-M161 WeakPolarHBondContact O-CB 3.47Å; S158-M161 PolarHBondContact O-N 3.44Å; S158-E162 WeakPolarHBondContact O-CG 3.38Å; S158-E162 PolarHBondContact O-N 2.92Å
159E79.6Confident74Confident109 Ų109107.1 Ų107.151%0.50958%0.576SS.*Hα-helixtrans-65.5-39.3177.1-166.1164.3-159.900112.4S157 M161 E162 D163S157-E159 PolarHBondContact O-N 2.9Å; E159-M161 VanDerWaalsContact C-N 3.29Å; E159-M161 PolarHBondContact O-N 2.88Å; E159-E162 PolarHBondContact O-N 3.45Å; E159-D163 WeakPolarHBondContact O-CB 3.26Å; E159-D163 PolarHBondContact O-N 2.75Å
160D82.4Confident74.4Confident95 Ų95102.2 Ų102.251%0.50857%0.574SS.*Hα-helixtrans-66.2-34.6174.9-65.8-40000111.6P156 S157 R164P156-D160 HydrophobicContact CB-CB 4.14Å; S157-D160 PolarHBondContact N-OD2 3.35Å; S157-D160 VanDerWaalsContact N-OD2 3.17Å; S157-D160 WeakPolarHBondContact O-CB 3.27Å; S157-D160 PolarHBondContact O-N 3.03Å; D160-R164 VanDerWaalsContact O-CB 3.27Å; D160-R164 WeakPolarHBondContact O-CB 3.23Å; D160-R164 PolarHBondContact O-N 3.11Å; D160-R164 VanDerWaalsContact O-N 3.1Å
161M80.1Confident75.1Confident100 Ų100103.6 Ų103.649%0.49357%0.573SS.*Hα-helixtrans-70.5-41.5177.2-65.9-168.9-74.300111.4P156 S157 S158 E159 R164 L165P156-M161 HydrophobicContact CB-CG 4.42Å; S157-M161 PolarHBondContact O-N 2.89Å; S157-M161 VanDerWaalsContact O-N 3.12Å; S158-M161 WeakPolarHBondContact O-CB 3.47Å; S158-M161 PolarHBondContact O-N 3.44Å; E159-M161 VanDerWaalsContact C-N 3.29Å; E159-M161 PolarHBondContact O-N 2.88Å; M161-R164 PolarHBondContact O-N 3.43Å; M161-L165 WeakPolarHBondContact O-CB 3.5Å; M161-L165 WeakPolarHBondContact O-CG 3.35Å; M161-L165 PolarHBondContact O-N 3.38Å
162E83.3Confident76Confident107 Ų107103.6 Ų103.650%0.557%0.573SS.*Hα-helixtrans-63.1-46.9175.4-74.6171.7-158.400112S158 E159 R164 L165 A166 P174S158-E162 WeakPolarHBondContact O-CG 3.38Å; S158-E162 PolarHBondContact O-N 2.92Å; E159-E162 PolarHBondContact O-N 3.45Å; E162-R164 VanDerWaalsContact C-N 3.29Å; E162-R164 PolarHBondContact O-N 3.46Å; E162-L165 PolarHBondContact O-N 3.33Å; E162-A166 WeakPolarHBondContact O-CB 3.09Å; E162-A166 PolarHBondContact O-N 3.35Å; E162-P174 HydrophobicContact CB-CG 4.47Å
163D82.9Confident76.3Confident35 Ų3599 Ų9919%0.18754%0.54CS..Hα-helixtrans-61.9-38.7177.2-83.5-0000111.4E159 A166 A167 P173 P174 S175E159-D163 WeakPolarHBondContact O-CB 3.26Å; E159-D163 PolarHBondContact O-N 2.75Å; D163-A166 PolarHBondContact O-N 3.18Å; D163-A167 WeakPolarHBondContact O-CB 3.26Å; D163-A167 PolarHBondContact O-N 2.95Å; D163-P173 HydrophobicContact CB-CB 4.01Å; D163-P173 VanDerWaalsContact CG-CB 3.46Å; D163-P173 WeakPolarHBondContact OD1-CB 3.4Å; D163-P174 WeakPolarHBondContact OD1-CD 3.38Å; D163-P174 WeakPolarHBondContact OD1-CG 3.39Å; D163-S175 PolarHBondContact OD1-OG 3.1Å; D163-S175 WeakPolarHBondContact OD2-CB 2.92Å; D163-S175 PolarHBondContact OD2-OG 2.67Å
164R82.1Confident76.4Confident188 Ų18894.9 Ų94.971%0.70953%0.527SS*.Hα-helixtrans-68.9-38.4176.9-168.6172.4-178.9176.1-1.1112.5D160 M161 E162 L168D160-R164 VanDerWaalsContact O-CB 3.27Å; D160-R164 WeakPolarHBondContact O-CB 3.23Å; D160-R164 PolarHBondContact O-N 3.11Å; D160-R164 VanDerWaalsContact O-N 3.1Å; M161-R164 PolarHBondContact O-N 3.43Å; E162-R164 VanDerWaalsContact C-N 3.29Å; E162-R164 PolarHBondContact O-N 3.46Å; R164-L168 WeakPolarHBondContact O-CG 3.34Å; R164-L168 PolarHBondContact O-N 3.28Å; R164-L168 VanDerWaalsContact O-N 3.14Å
165L82.1Confident76.3Confident98 Ų9892.2 Ų92.251%0.51351%0.512SS..Hα-helixtrans-66.8-40.5173.9-77.5163.1000111.6M161 E162 L168 R169M161-L165 WeakPolarHBondContact O-CB 3.5Å; M161-L165 WeakPolarHBondContact O-CG 3.35Å; M161-L165 PolarHBondContact O-N 3.38Å; E162-L165 PolarHBondContact O-N 3.33Å; L165-L168 PolarHBondContact O-N 3.37Å; L165-R169 WeakPolarHBondContact O-CG 3.2Å; L165-R169 PolarHBondContact O-N 2.78Å
166A81.3Confident76.2Confident12 Ų1293.7 Ų93.710%0.09951%0.51CS..Hα-helixtrans-62.7-44.7175.900000111.6E162 D163 L168 R169 G170 Q171E162-A166 WeakPolarHBondContact O-CB 3.09Å; E162-A166 PolarHBondContact O-N 3.35Å; D163-A166 PolarHBondContact O-N 3.18Å; A166-L168 VanDerWaalsContact C-N 3.34Å; A166-L168 PolarHBondContact O-N 3.03Å; A166-R169 CarbonylContact O-C 3.51Å; A166-R169 PolarHBondContact O-N 2.82Å; A166-R169 VanDerWaalsContact O-N 3.1Å; A166-G170 PolarHBondContact O-N 2.99Å; A166-G170 VanDerWaalsContact O-N 3.09Å; A166-Q171 CarbonylContact C-O 3.41Å; A166-Q171 PolarHBondContact O-N 3.36Å
167A84.1Confident75.6Confident69 Ų6992.5 Ų92.557%0.5751%0.506SS*.Hα-helixtrans-60.1-41.2175.900000112.5D163 R169 G170D163-A167 WeakPolarHBondContact O-CB 3.26Å; D163-A167 PolarHBondContact O-N 2.95Å; A167-R169 VanDerWaalsContact C-N 3.31Å; A167-R169 PolarHBondContact O-N 3.5Å; A167-G170 PolarHBondContact O-N 2.87Å; A167-G170 VanDerWaalsContact O-N 3.16Å
168L80.4Confident74.8Confident141 Ų14195.5 Ų95.574%0.73852%0.524SS*.Hα-helixtrans-66.7-32.3175.3-74.4170.1000112.8R164 L165 A166 G170R164-L168 WeakPolarHBondContact O-CG 3.34Å; R164-L168 PolarHBondContact O-N 3.28Å; R164-L168 VanDerWaalsContact O-N 3.14Å; L165-L168 PolarHBondContact O-N 3.37Å; A166-L168 VanDerWaalsContact C-N 3.34Å; A166-L168 PolarHBondContact O-N 3.03Å; L168-G170 PolarHBondContact O-N 3.21Å
169R76.9Confident73.9Confident197 Ų197102.9 Ų102.974%0.74354%0.541SS*.THydrogen-bonded Turntrans-81.41.1174.6-68.6-178.1-179.7-151.90.9113.3L165 A166 A167 Q171L165-R169 WeakPolarHBondContact O-CG 3.2Å; L165-R169 PolarHBondContact O-N 2.78Å; A166-R169 CarbonylContact O-C 3.51Å; A166-R169 PolarHBondContact O-N 2.82Å; A166-R169 VanDerWaalsContact O-N 3.1Å; A167-R169 VanDerWaalsContact C-N 3.31Å; A167-R169 PolarHBondContact O-N 3.5Å; R169-Q171 HydrophobicContact CB-CG 4.5Å; R169-Q171 PolarHBondContact O-N 2.9Å
170G76.6Confident73Confident69 Ų69103.3 Ų103.371%0.71155%0.553SS**THydrogen-bonded Turntrans67.618-177.800000114.1A166 A167 L168A166-G170 PolarHBondContact O-N 2.99Å; A166-G170 VanDerWaalsContact O-N 3.09Å; A167-G170 PolarHBondContact O-N 2.87Å; A167-G170 VanDerWaalsContact O-N 3.16Å; L168-G170 PolarHBondContact O-N 3.21Å
171Q74.8Confident71.9Confident130 Ų130105.7 Ų105.761%0.60757%0.571SS**PPolyproline II helixtrans-97.5149.6177.2-66.9-165-4.100110.6A166 R169A166-Q171 CarbonylContact C-O 3.41Å; A166-Q171 PolarHBondContact O-N 3.36Å; R169-Q171 HydrophobicContact CB-CG 4.5Å; R169-Q171 PolarHBondContact O-N 2.9Å
172P75Confident71Confident96 Ų96107.7 Ų107.762%0.62358%0.579SS**PPolyproline II helixtrans-64.3139.4174.327.3-32.8000109.9
173P68.7Low70.1Confident28 Ų28111.3 Ų111.318%0.18260%0.596CS.*PPolyproline II helixtrans-59.2137.8-179.320.7-29.7000110.7D163 S175 Q176 A177D163-P173 HydrophobicContact CB-CB 4.01Å; D163-P173 VanDerWaalsContact CG-CB 3.46Å; D163-P173 WeakPolarHBondContact OD1-CB 3.4Å; P173-S175 PolarHBondContact O-N 2.92Å; P173-S175 VanDerWaalsContact O-N 3.08Å; P173-Q176 HydrophobicContact CG-CB 4.26Å; P173-Q176 HydrophobicContact CG-CG 4.03Å; P173-Q176 PolarHBondContact O-N 3.33Å; P173-A177 PolarHBondContact O-N 3.28Å
174P63.7Low69.1Low70 Ų70114.6 Ų114.646%0.45562%0.619SS.*THydrogen-bonded Turntrans-56-25179.321.2-33.8000113.1E162 D163 Q176E162-P174 HydrophobicContact CB-CG 4.47Å; D163-P174 WeakPolarHBondContact OD1-CD 3.38Å; D163-P174 WeakPolarHBondContact OD1-CG 3.39Å; P174-Q176 PolarHBondContact O-N 3.32Å
175S62.8Low68.6Low63 Ų63110.7 Ų110.744%0.44162%0.618SS.*THydrogen-bonded Turntrans-62.9-19.4172.862.30000114.3D163 P173D163-S175 PolarHBondContact OD1-OG 3.1Å; D163-S175 WeakPolarHBondContact OD2-CB 2.92Å; D163-S175 PolarHBondContact OD2-OG 2.67Å; P173-S175 PolarHBondContact O-N 2.92Å; P173-S175 VanDerWaalsContact O-N 3.08Å
176Q61.5Low68.1Low157 Ų157109.4 Ų109.473%0.73461%0.611SS**THydrogen-bonded Turntrans-114.8-6.6-176.4-62.2-175.926.700114.5P173 P174P173-Q176 HydrophobicContact CG-CB 4.26Å; P173-Q176 HydrophobicContact CG-CG 4.03Å; P173-Q176 PolarHBondContact O-N 3.33Å; P174-Q176 PolarHBondContact O-N 3.32Å
177A57.1Low68.1Low47 Ų47115.4 Ų115.439%0.38865%0.647SS.*SBendtrans-86.5134.2178.400000111.3P173 R179P173-A177 PolarHBondContact O-N 3.28Å; A177-R179 PolarHBondContact O-N 3.44Å; A177-R179 VanDerWaalsContact O-N 3.17Å
178P59.3Low67.9Low121 Ų121116.8 Ų116.879%0.78664%0.638SS**PPolyproline II helixtrans-59.2121.9169.6-17.829.2000109.4P180P178-P180 VanDerWaalsContact O-CD 3.28Å; P178-P180 WeakPolarHBondContact O-CD 3.45Å
179R58.3Low68.3Low228 Ų228113.8 Ų113.886%0.8663%0.625SS**PPolyproline II helixtrans-57.4120.4178.9-66.7-174.3-178-131.9-1.7109.3A177 V181A177-R179 PolarHBondContact O-N 3.44Å; A177-R179 VanDerWaalsContact O-N 3.17Å; R179-V181 PolarHBondContact O-N 3.5Å
180P58.8Low68.8Low118 Ų118112.7 Ų112.777%0.76663%0.629SS**  trans-66.4110.6170.8-13.928.4000107.8P178 H182P178-P180 VanDerWaalsContact O-CD 3.28Å; P178-P180 WeakPolarHBondContact O-CD 3.45Å; P180-H182 PolarHBondContact O-N 2.88Å
181V60.8Low69.5Low146 Ų146114 Ų11489%0.88562%0.623SS**SBendtrans-72.7-5.2-176.4179.70000112.1R179R179-V181 PolarHBondContact O-N 3.5Å
182H60.1Low70.3Confident141 Ų141112.5 Ų112.565%0.65362%0.616SS**  trans-132.7108.6-176.9-164.7-66000111.6P180P180-H182 PolarHBondContact O-N 2.88Å
183Q65.3Low70.9Confident183 Ų183112 Ų11286%0.85560%0.604SS**PPolyproline II helixtrans-83122.5159.8-81.7177.2-12.800108.1
184P62Low72Confident105 Ų105113 Ų11368%0.68261%0.614SS**PPolyproline II helixtrans-59139.7174.324.8-31.6000109.8D186P184-D186 PolarHBondContact O-N 2.8Å
185P70.8Confident73.4Confident105 Ų105113.8 Ų113.868%0.68262%0.615SS**PPolyproline II helixtrans-55.4132.7175.8-23.432.4000110.3T187P185-T187 PolarHBondContact O-N 3.11Å
186D71.6Confident74.8Confident71 Ų71114.6 Ų114.638%0.3861%0.614SS.*  trans-61.9105.3-179.5-170.5-13.1000110.1P184 R188 K193P184-D186 PolarHBondContact O-N 2.8Å; D186-R188 PolarHBondContact O-N 3.16Å; D186-R188 WeakPolarHBondContact OD1-CB 3.47Å; D186-R188 VanDerWaalsContact OD1-CG 3.23Å; D186-R188 WeakPolarHBondContact OD1-CG 3.4Å; D186-R188 IonicContact OD1-CZ 3.86Å; D186-R188 PolarHBondContact OD1-N 3.41Å; D186-R188 IonicContact OD1-NE 2.92Å; D186-R188 PolarHBondContact OD1-NE 2.69Å; D186-R188 IonicContact OD1-NH2 3.92Å; D186-R188 IonicContact OD2-CZ 3.46Å; D186-R188 IonicContact OD2-NE 3.25Å; D186-R188 PolarHBondContact OD2-NE 3.41Å; D186-R188 IonicContact OD2-NH2 2.82Å; D186-R188 PolarHBondContact OD2-NH2 2.91Å; D186-K193 WeakPolarHBondContact OD2-CE 3.41Å; D186-K193 IonicContact OD2-NZ 3.98Å
187T81.1Confident76.4Confident138 Ų138111.6 Ų111.685%0.84760%0.603SS**  trans-77-3.3-178.657.40000113P185P185-T187 PolarHBondContact O-N 3.11Å
188R81.2Confident78.2Confident98 Ų98114.4 Ų114.437%0.3761%0.61SS.*  trans-70.2137.5-179.6-62.9177.6-66.7171.66.1110.7D186 E192 K193 D196D186-R188 PolarHBondContact O-N 3.16Å; D186-R188 WeakPolarHBondContact OD1-CB 3.47Å; D186-R188 VanDerWaalsContact OD1-CG 3.23Å; D186-R188 WeakPolarHBondContact OD1-CG 3.4Å; D186-R188 IonicContact OD1-CZ 3.86Å; D186-R188 PolarHBondContact OD1-N 3.41Å; D186-R188 IonicContact OD1-NE 2.92Å; D186-R188 PolarHBondContact OD1-NE 2.69Å; D186-R188 IonicContact OD1-NH2 3.92Å; D186-R188 IonicContact OD2-CZ 3.46Å; D186-R188 IonicContact OD2-NE 3.25Å; D186-R188 PolarHBondContact OD2-NE 3.41Å; D186-R188 IonicContact OD2-NH2 2.82Å; D186-R188 PolarHBondContact OD2-NH2 2.91Å; R188-E192 WeakPolarHBondContact CA-OE2 3.38Å; R188-E192 HydrophobicContact CB-CB 3.99Å; R188-K193 HydrophobicContact CB-CG 4.09Å; R188-K193 WeakPolarHBondContact O-CE 3.44Å; R188-K193 PolarHBondContact O-NZ 3.09Å; R188-D196 IonicContact CZ-OD2 3.68Å; R188-D196 IonicContact NH1-OD1 3.46Å; R188-D196 PolarHBondContact NH1-OD1 3.45Å; R188-D196 IonicContact NH1-OD2 2.71Å; R188-D196 PolarHBondContact NH1-OD2 3.43Å; R188-D196 IonicContact NH2-OD2 3.86Å
189T87.5Confident79.8Confident79 Ų79112 Ų11249%0.48559%0.593SS.*  trans-63.3159.5172.762.90000110.7T191 E192 K193T189-T191 PolarHBondContact O-N 3.1Å; T189-E192 WeakPolarHBondContact CB-OE2 3.41Å; T189-E192 PolarHBondContact N-OE2 3.47Å; T189-E192 PolarHBondContact O-N 3.36Å; T189-E192 VanDerWaalsContact O-N 3.12Å; T189-E192 VanDerWaalsContact OG1-CD 3.24Å; T189-E192 VanDerWaalsContact OG1-CG 3.27Å; T189-E192 WeakPolarHBondContact OG1-CG 3.43Å; T189-E192 PolarHBondContact OG1-N 3.06Å; T189-E192 PolarHBondContact OG1-OE2 3.25Å; T189-K193 WeakPolarHBondContact O-CG 3.41Å; T189-K193 PolarHBondContact O-N 2.96Å
190Q88.8Confident81.5Confident174 Ų174106.6 Ų106.681%0.81358%0.577SS**Hα-helixtrans-57.7-35.7179.4-170.617810.100112.3K193 A194Q190-K193 PolarHBondContact O-N 3.29Å; Q190-A194 PolarHBondContact O-N 3.26Å
191T89.8Confident83.1Confident96 Ų96106.4 Ų106.459%0.58957%0.568SS**Hα-helixtrans-67.4-42.4176.1-56.90000112.1T189 K193 A194 N195T189-T191 PolarHBondContact O-N 3.1Å; T191-K193 VanDerWaalsContact C-N 3.32Å; T191-K193 PolarHBondContact O-N 2.83Å; T191-A194 PolarHBondContact O-N 3.06Å; T191-N195 WeakPolarHBondContact O-CB 3.22Å; T191-N195 PolarHBondContact O-N 3.27Å; T191-N195 PolarHBondContact O-ND2 3.2Å; T191-N195 VanDerWaalsContact O-ND2 3.14Å
192E91.3Very high84.6Confident98 Ų98102.2 Ų102.246%0.45855%0.549SS..Hα-helixtrans-64.3-38.9175.6-73.1164148.500111.3R188 T189 N195 D196R188-E192 WeakPolarHBondContact CA-OE2 3.38Å; R188-E192 HydrophobicContact CB-CB 3.99Å; T189-E192 WeakPolarHBondContact CB-OE2 3.41Å; T189-E192 PolarHBondContact N-OE2 3.47Å; T189-E192 PolarHBondContact O-N 3.36Å; T189-E192 VanDerWaalsContact O-N 3.12Å; T189-E192 VanDerWaalsContact OG1-CD 3.24Å; T189-E192 VanDerWaalsContact OG1-CG 3.27Å; T189-E192 WeakPolarHBondContact OG1-CG 3.43Å; T189-E192 PolarHBondContact OG1-N 3.06Å; T189-E192 PolarHBondContact OG1-OE2 3.25Å; E192-N195 PolarHBondContact O-N 3.47Å; E192-D196 VanDerWaalsContact O-CB 3.27Å; E192-D196 WeakPolarHBondContact O-CB 3.27Å; E192-D196 PolarHBondContact O-N 3.36Å
193K89.1Confident86.1Confident87 Ų87101.3 Ų101.338%0.37855%0.545SS..Hα-helixtrans-62.8-41173.7-70.1173178.2168.80112.3D186 R188 T189 Q190 T191 L197D186-K193 WeakPolarHBondContact OD2-CE 3.41Å; D186-K193 IonicContact OD2-NZ 3.98Å; R188-K193 HydrophobicContact CB-CG 4.09Å; R188-K193 WeakPolarHBondContact O-CE 3.44Å; R188-K193 PolarHBondContact O-NZ 3.09Å; T189-K193 WeakPolarHBondContact O-CG 3.41Å; T189-K193 PolarHBondContact O-N 2.96Å; Q190-K193 PolarHBondContact O-N 3.29Å; T191-K193 VanDerWaalsContact C-N 3.32Å; T191-K193 PolarHBondContact O-N 2.83Å; K193-L197 WeakPolarHBondContact O-CB 3.47Å; K193-L197 PolarHBondContact O-N 3.02Å
194A91.3Very high87.1Confident47 Ų4798 Ų9839%0.38853%0.529SS..Hα-helixtrans-66-44.2176.600000111.5Q190 T191 L197 I198Q190-A194 PolarHBondContact O-N 3.26Å; T191-A194 PolarHBondContact O-N 3.06Å; A194-L197 PolarHBondContact O-N 2.99Å; A194-I198 WeakPolarHBondContact O-CD1 3.41Å; A194-I198 WeakPolarHBondContact O-CG1 3.34Å; A194-I198 PolarHBondContact O-N 3.3Å
195N92.4Very high88.4Confident88 Ų8897.1 Ų97.147%0.47152%0.522SS..Hα-helixtrans-65.4-38.9177.6-72.5-38.1000112.5T191 E192 I198 T199T191-N195 WeakPolarHBondContact O-CB 3.22Å; T191-N195 PolarHBondContact O-N 3.27Å; T191-N195 PolarHBondContact O-ND2 3.2Å; T191-N195 VanDerWaalsContact O-ND2 3.14Å; E192-N195 PolarHBondContact O-N 3.47Å; N195-I198 PolarHBondContact O-N 3.23Å; N195-T199 WeakPolarHBondContact O-CB 3.48Å; N195-T199 PolarHBondContact O-N 3.28Å; N195-T199 PolarHBondContact O-OG1 3.44Å
196D93.3Very high89.2Confident79 Ų7994 Ų9442%0.42251%0.505SS..Hα-helixtrans-61.7-44.8175.1-168.367.1000111R188 E192 T199 Q200R188-D196 IonicContact CZ-OD2 3.68Å; R188-D196 IonicContact NH1-OD1 3.46Å; R188-D196 PolarHBondContact NH1-OD1 3.45Å; R188-D196 IonicContact NH1-OD2 2.71Å; R188-D196 PolarHBondContact NH1-OD2 3.43Å; R188-D196 IonicContact NH2-OD2 3.86Å; E192-D196 VanDerWaalsContact O-CB 3.27Å; E192-D196 WeakPolarHBondContact O-CB 3.27Å; E192-D196 PolarHBondContact O-N 3.36Å; D196-T199 WeakPolarHBondContact O-CB 3.11Å; D196-T199 PolarHBondContact O-N 2.9Å; D196-Q200 PolarHBondContact O-N 3.03Å
197L93.9Very high89.6Confident95 Ų9595 Ų9550%0.49751%0.51SS..Hα-helixtrans-63.6-43.1176.2-176.563.3000112.3K193 A194 T199 Q200 M201K193-L197 WeakPolarHBondContact O-CB 3.47Å; K193-L197 PolarHBondContact O-N 3.02Å; A194-L197 PolarHBondContact O-N 2.99Å; L197-T199 VanDerWaalsContact C-N 3.26Å; L197-T199 PolarHBondContact O-N 2.8Å; L197-Q200 PolarHBondContact O-N 3.11Å; L197-M201 HydrophobicContact CG-SD 4.45Å; L197-M201 WeakPolarHBondContact O-CG 3.36Å; L197-M201 PolarHBondContact O-N 2.92Å
198I94.6Very high89.5Confident106 Ų10692.9 Ų92.954%0.54449%0.493SS..Hα-helixtrans-60.8-40.5175.1-68.5163000110.3A194 N195 M201 A202A194-I198 WeakPolarHBondContact O-CD1 3.41Å; A194-I198 WeakPolarHBondContact O-CG1 3.34Å; A194-I198 PolarHBondContact O-N 3.3Å; N195-I198 PolarHBondContact O-N 3.23Å; I198-M201 PolarHBondContact O-N 3.41Å; I198-A202 WeakPolarHBondContact O-CB 3.5Å; I198-A202 PolarHBondContact O-N 3.25Å
199T93.8Very high89.3Confident70 Ų7093.3 Ų93.343%0.42950%0.502SS..Hα-helixtrans-65.8-45.7178.2-54.40000110.9N195 D196 L197 M201 A202 E203N195-T199 WeakPolarHBondContact O-CB 3.48Å; N195-T199 PolarHBondContact O-N 3.28Å; N195-T199 PolarHBondContact O-OG1 3.44Å; D196-T199 WeakPolarHBondContact O-CB 3.11Å; D196-T199 PolarHBondContact O-N 2.9Å; L197-T199 VanDerWaalsContact C-N 3.26Å; L197-T199 PolarHBondContact O-N 2.8Å; T199-M201 PolarHBondContact O-N 3.13Å; T199-A202 PolarHBondContact O-N 3.33Å; T199-E203 WeakPolarHBondContact O-CG 3.5Å; T199-E203 PolarHBondContact O-N 3.22Å
200Q94.3Very high88.5Confident114 Ų11496.2 Ų96.253%0.53351%0.511SS..Hα-helixtrans-58.4-45.9176-176-174.4-20.400111.9D196 L197 A202 E203 E204D196-Q200 PolarHBondContact O-N 3.03Å; L197-Q200 PolarHBondContact O-N 3.11Å; Q200-A202 VanDerWaalsContact C-N 3.34Å; Q200-A202 PolarHBondContact O-N 2.97Å; Q200-E203 PolarHBondContact O-N 3.47Å; Q200-E204 PolarHBondContact O-N 3.13Å
201M91.6Very high87.1Confident114 Ų11495.2 Ų95.256%0.56251%0.506SS*.Hα-helixtrans-63.9-39.4177.2-7017868.100111.9L197 I198 T199 E204 V205L197-M201 HydrophobicContact CG-SD 4.45Å; L197-M201 WeakPolarHBondContact O-CG 3.36Å; L197-M201 PolarHBondContact O-N 2.92Å; I198-M201 PolarHBondContact O-N 3.41Å; T199-M201 PolarHBondContact O-N 3.13Å; M201-E204 PolarHBondContact O-N 3.06Å; M201-V205 WeakPolarHBondContact O-CG2 3.34Å; M201-V205 PolarHBondContact O-N 3.16Å; M201-V205 VanDerWaalsContact O-N 3.08Å
202A92.6Very high85.4Confident59 Ų5995 Ų9549%0.48851%0.509SS..Hα-helixtrans-66.8-37.5177.300000112.2I198 T199 Q200 A206I198-A202 WeakPolarHBondContact O-CB 3.5Å; I198-A202 PolarHBondContact O-N 3.25Å; T199-A202 PolarHBondContact O-N 3.33Å; Q200-A202 VanDerWaalsContact C-N 3.34Å; Q200-A202 PolarHBondContact O-N 2.97Å; A202-A206 WeakPolarHBondContact O-CB 3.45Å; A202-A206 PolarHBondContact O-N 3.03Å
203E91.7Very high83Confident121 Ų12193.9 Ų93.957%0.56551%0.511SS*.Hα-helixtrans-67.9-39175.2-72.8177.2-179.900112T199 Q200 A206 I207T199-E203 WeakPolarHBondContact O-CG 3.5Å; T199-E203 PolarHBondContact O-N 3.22Å; Q200-E203 PolarHBondContact O-N 3.47Å; E203-A206 PolarHBondContact O-N 3.29Å; E203-I207 VanDerWaalsContact O-CG1 3.29Å; E203-I207 WeakPolarHBondContact O-CG1 3.45Å; E203-I207 PolarHBondContact O-N 3.39Å
204E86.6Confident80.7Confident114 Ų11495.1 Ų95.153%0.53353%0.528SS..Hα-helixtrans-62.2-47.6175.1-171.2172.4176.500111.4Q200 M201 A206 I207 D208Q200-E204 PolarHBondContact O-N 3.13Å; M201-E204 PolarHBondContact O-N 3.06Å; E204-A206 VanDerWaalsContact C-N 3.29Å; E204-A206 PolarHBondContact O-N 3.2Å; E204-I207 PolarHBondContact O-N 3.34Å; E204-I207 VanDerWaalsContact O-N 3.11Å; E204-D208 PolarHBondContact O-N 3.14Å
205V88.7Confident78.7Confident86 Ų86101 Ų10152%0.52155%0.548SS..Hα-helixtrans-60.1-40.3174.4172.90000111.4M201 I207 D208 D209M201-V205 WeakPolarHBondContact O-CG2 3.34Å; M201-V205 PolarHBondContact O-N 3.16Å; M201-V205 VanDerWaalsContact O-N 3.08Å; V205-I207 VanDerWaalsContact C-N 3.29Å; V205-I207 PolarHBondContact O-N 2.99Å; V205-D208 PolarHBondContact O-N 3.29Å; V205-D209 WeakPolarHBondContact O-CB 3.5Å; V205-D209 PolarHBondContact O-N 3.46Å
206A87Confident76.7Confident41 Ų41104.1 Ų104.134%0.33957%0.565SS.*Hα-helixtrans-66.4-29.7177.800000113A202 E203 E204 Q210A202-A206 WeakPolarHBondContact O-CB 3.45Å; A202-A206 PolarHBondContact O-N 3.03Å; E203-A206 PolarHBondContact O-N 3.29Å; E204-A206 VanDerWaalsContact C-N 3.29Å; E204-A206 PolarHBondContact O-N 3.2Å; A206-Q210 WeakPolarHBondContact O-CB 3.43Å; A206-Q210 WeakPolarHBondContact O-CG 3.43Å; A206-Q210 PolarHBondContact O-N 3.39Å; A206-Q210 PolarHBondContact O-NE2 3.45Å
207I80.4Confident74Confident92 Ų92109.6 Ų109.647%0.47258%0.584SS.*Hα-helixtrans-72.7-44.5174.4-68162.8000110.1E203 E204 V205 D209 Q210 Q211E203-I207 VanDerWaalsContact O-CG1 3.29Å; E203-I207 WeakPolarHBondContact O-CG1 3.45Å; E203-I207 PolarHBondContact O-N 3.39Å; E204-I207 PolarHBondContact O-N 3.34Å; E204-I207 VanDerWaalsContact O-N 3.11Å; V205-I207 VanDerWaalsContact C-N 3.29Å; V205-I207 PolarHBondContact O-N 2.99Å; I207-D209 VanDerWaalsContact C-N 3.34Å; I207-D209 PolarHBondContact O-N 2.88Å; I207-Q210 PolarHBondContact O-N 3.13Å; I207-Q211 WeakPolarHBondContact O-CG 3.37Å; I207-Q211 PolarHBondContact O-N 3Å
208D78.9Confident71.9Confident93 Ų93108.9 Ų108.950%0.49760%0.6SS.*Hα-helixtrans-62.8-42.1177.7-76.5-4.5000111.4E204 V205 Q210 Q211 S212E204-D208 PolarHBondContact O-N 3.14Å; V205-D208 PolarHBondContact O-N 3.29Å; D208-Q210 PolarHBondContact O-N 3.14Å; D208-Q211 PolarHBondContact O-N 2.95Å; D208-Q211 VanDerWaalsContact O-N 3.16Å; D208-S212 WeakPolarHBondContact O-CB 3.45Å; D208-S212 PolarHBondContact O-N 3.43Å
209D77.6Confident69.4Low106 Ų106110.2 Ų110.257%0.56761%0.613SS**Hα-helixtrans-61.1-42.9174.4-88.36.1000111.6V205 I207 Q211 S212 S213V205-D209 WeakPolarHBondContact O-CB 3.5Å; V205-D209 PolarHBondContact O-N 3.46Å; I207-D209 VanDerWaalsContact C-N 3.34Å; I207-D209 PolarHBondContact O-N 2.88Å; D209-Q211 VanDerWaalsContact C-N 3.29Å; D209-Q211 PolarHBondContact O-N 2.71Å; D209-S212 WeakPolarHBondContact CA-OG 3.36Å; D209-S212 PolarHBondContact O-N 3.46Å; D209-S212 VanDerWaalsContact O-N 3.16Å; D209-S212 PolarHBondContact O-OG 3.03Å; D209-S213 PolarHBondContact O-N 3.4Å
210Q71.3Confident67.7Low141 Ų141113.1 Ų113.166%0.65963%0.626SS**Hα-helixtrans-66.8-27.4176.2-77.7170.566.100113.4A206 I207 D208A206-Q210 WeakPolarHBondContact O-CB 3.43Å; A206-Q210 WeakPolarHBondContact O-CG 3.43Å; A206-Q210 PolarHBondContact O-N 3.39Å; A206-Q210 PolarHBondContact O-NE2 3.45Å; I207-Q210 PolarHBondContact O-N 3.13Å; D208-Q210 PolarHBondContact O-N 3.14Å
211Q58.7Low65.7Low152 Ų152116 Ų11671%0.7164%0.642SS**Hα-helixtrans-82-23.9172.9-70.7-175.315.400112.5I207 D208 D209I207-Q211 WeakPolarHBondContact O-CG 3.37Å; I207-Q211 PolarHBondContact O-N 3Å; D208-Q211 PolarHBondContact O-N 2.95Å; D208-Q211 VanDerWaalsContact O-N 3.16Å; D209-Q211 VanDerWaalsContact C-N 3.29Å; D209-Q211 PolarHBondContact O-N 2.71Å
212S55.5Low63.8Low93 Ų93116.8 Ų116.865%0.6565%0.648SS**Hα-helixtrans-81.8-13.1-178.976.70000114.7D208 D209D208-S212 WeakPolarHBondContact O-CB 3.45Å; D208-S212 PolarHBondContact O-N 3.43Å; D209-S212 WeakPolarHBondContact CA-OG 3.36Å; D209-S212 PolarHBondContact O-N 3.46Å; D209-S212 VanDerWaalsContact O-N 3.16Å; D209-S212 PolarHBondContact O-OG 3.03Å
213S39.1Very low61.7Low73 Ų73119.9 Ų119.951%0.5166%0.656SS.*  trans-153.3111172.4-169.40000113.2D209 E215D209-S213 PolarHBondContact O-N 3.4Å; S213-E215 PolarHBondContact OG-N 3.2Å
214P42.6Very low59.8Low114 Ų114121.8 Ų121.874%0.7467%0.669SS**  -117.2111.7112.831.5-27.6000109.5D216P214-D216 PolarHBondContact O-N 3.31Å
215E48.8Very low58.2Low171 Ų171122.6 Ų122.680%0.79968%0.677SS**  trans-53.1135153.8-65.7-177.2135.100109.7S213 K217S213-E215 PolarHBondContact OG-N 3.2Å; E215-K217 PolarHBondContact O-N 3.12Å
216D49.3Very low56.3Low153 Ų153127.4 Ų127.482%0.81869%0.691SS**  trans58.962.4137.4-15729.2000117.9P214P214-D216 PolarHBondContact O-N 3.31Å
217K38.1Very low54.2Low193 Ų193128 Ų12884%0.83970%0.702SS**  trans-132.8108.4139.7-71.9-168.9-179.5176.30109.4E215 V219E215-K217 PolarHBondContact O-N 3.12Å; K217-V219 PolarHBondContact O-N 3.14Å
218G49.4Very low53Low80 Ų80132.9 Ų132.983%0.82572%0.723SS**  trans-51.6102.1168.100000111.1
219V42.2Very low50.9Low135 Ų135133.8 Ų133.882%0.81874%0.736SS**  trans-102.492156.6-101.40000106.5K217 M221K217-V219 PolarHBondContact O-N 3.14Å; V219-M221 PolarHBondContact O-N 2.7Å
220D58.5Low49.3Very low130 Ų130134.2 Ų134.270%0.69575%0.754SS**  trans-37.197.4155.4-18031.8000110.6
221M50.9Low48.2Very low176 Ų176131.1 Ų131.187%0.86775%0.753SS**  trans-144.2101.4161.2-92.3-58.1-138.200110.5V219V219-M221 PolarHBondContact O-N 2.7Å
222N52.1Low47.5Very low129 Ų129129.3 Ų129.369%0.6976%0.757SS**  trans87.352.6153.6-137.928.4000117.6
223D49.2Very low47.2Very low124 Ų124132 Ų13266%0.66376%0.764SS**  trans-92.1104148.1-167.3-7.2000109.1N225D223-N225 PolarHBondContact O-N 3.42Å; D223-N225 WeakPolarHBondContact OD1-CB 3.42Å; D223-N225 PolarHBondContact OD1-N 2.79Å
224L51.9Low47.6Very low161 Ų161137.3 Ų137.384%0.84378%0.781SS**THydrogen-bonded Turntrans-7114.7174.2-74.9173.5000113.1
225N51.1Low48Very low131 Ų131137.8 Ų137.870%0.70178%0.777SS**THydrogen-bonded Turntrans-109.123.1178-143.12.4000114.1D223 G227D223-N225 PolarHBondContact O-N 3.42Å; D223-N225 WeakPolarHBondContact OD1-CB 3.42Å; D223-N225 PolarHBondContact OD1-N 2.79Å; N225-G227 PolarHBondContact O-N 3.35Å
226K49.3Very low48.1Very low188 Ų188136.5 Ų136.582%0.81778%0.775SS**  trans-8155.2168.1-148.7171.1-169.4173.60111.4
227G43.8Very low48.2Very low54 Ų54137.4 Ų137.456%0.55777%0.774SS**SBendtrans-102105.1164.700000108.9N225N225-G227 PolarHBondContact O-N 3.35Å
228E54.1Low49Very low194 Ų194134.1 Ų134.191%0.90777%0.766SS**  trans43100.7162.4-72.6-177.1138.900117.6
229S36.2Very low49.4Very low112 Ų112135.9 Ų135.978%0.78376%0.756SS**  trans-149.571.8159.1-59.60000111.2A231S229-A231 PolarHBondContact O-N 3.27Å; S229-A231 VanDerWaalsContact O-N 3.11Å
230A44.3Very low50.3Low114 Ų114134.9 Ų134.994%0.94274%0.743SS**  trans-74.873.1151.300000108.4
231A47.8Very low50.8Low76 Ų76130 Ų13063%0.62872%0.723SS**  trans-176.7142.1164.500000109.7S229S229-A231 PolarHBondContact O-N 3.27Å; S229-A231 VanDerWaalsContact O-N 3.11Å
232S44.4Very low52Low115 Ų115123.9 Ų123.980%0.80470%0.701SS**  trans95.467.1165.9-510000117.1E234S232-E234 PolarHBondContact O-N 3.29Å
233D47.8Very low53.4Low150 Ų150120.9 Ų120.980%0.80269%0.687SS**  trans-86.864.3161.6-178.124.6000111.3
234E47.9Very low54.9Low183 Ų183122.6 Ų122.686%0.85568%0.684SS**  trans-142.911.2179.4-63.6-100.6139.300113.7S232S232-E234 PolarHBondContact O-N 3.29Å
235N50.7Low56.5Low125 Ų125121.9 Ų121.967%0.66868%0.676SS**SBendtrans-131.39.1-172.9-155.7-113.3000116.9
236L51.3Low58.2Low143 Ų143122.4 Ų122.475%0.74967%0.674SS**SBendtrans-93.5-12.4177-75.1163.4000114.1
237E51.8Low60.2Low173 Ų173118.3 Ų118.381%0.80866%0.658SS**Hα-helixtrans-81.4-29.4179.8-77.2-177.7135.400113.7N239 G241E237-N239 VanDerWaalsContact C-N 3.34Å; E237-N239 PolarHBondContact O-N 2.72Å; E237-G241 PolarHBondContact O-N 2.9Å
238D55.3Low62.6Low123 Ų123118.6 Ų118.666%0.65866%0.656SS**Hα-helixtrans-67.5-31.4-177.3-80.7-26.9000113.1A242D238-A242 PolarHBondContact O-N 2.91Å
239N56.1Low64.5Low117 Ų117115.6 Ų115.663%0.62664%0.641SS**Hα-helixtrans-78.6-38.7-177.5-158.8-16.5000112.3E237 G241 A242 V243E237-N239 VanDerWaalsContact C-N 3.34Å; E237-N239 PolarHBondContact O-N 2.72Å; N239-G241 VanDerWaalsContact C-N 3.3Å; N239-G241 PolarHBondContact O-N 3.17Å; N239-A242 PolarHBondContact O-N 2.99Å; N239-V243 WeakPolarHBondContact O-CG2 3.36Å; N239-V243 PolarHBondContact O-N 3.4Å; N239-V243 VanDerWaalsContact O-N 3.13Å
240Q62.3Low67.3Low114 Ų114115.4 Ų115.453%0.53363%0.626SS.*Hα-helixtrans-66-32.9173.5-75.6-179.836.800112.5R244Q240-R244 WeakPolarHBondContact O-CG 3.33Å; Q240-R244 PolarHBondContact O-N 3.18Å; Q240-R244 VanDerWaalsContact O-N 3.14Å
241G69.4Low69.7Low27 Ų27114.2 Ų114.228%0.27860%0.604SS.*Hα-helixtrans-63.8-41173.500000112.7E237 N239 Q245E237-G241 PolarHBondContact O-N 2.9Å; N239-G241 VanDerWaalsContact C-N 3.3Å; N239-G241 PolarHBondContact O-N 3.17Å; G241-Q245 WeakPolarHBondContact O-CB 3.44Å; G241-Q245 VanDerWaalsContact O-CG 3.24Å; G241-Q245 WeakPolarHBondContact O-CG 3.4Å; G241-Q245 PolarHBondContact O-N 2.96Å; G241-Q245 VanDerWaalsContact O-N 3.07Å
242A75.3Confident72Confident49 Ų49118.1 Ų118.141%0.40560%0.603SS.*Hα-helixtrans-67-42.9177.700000112.5D238 N239 Q245 Q246D238-A242 PolarHBondContact O-N 2.91Å; N239-A242 PolarHBondContact O-N 2.99Å; A242-Q245 PolarHBondContact O-N 3.15Å; A242-Q246 WeakPolarHBondContact O-CB 3.48Å; A242-Q246 PolarHBondContact O-N 3.14Å
243V81.2Confident74.5Confident65 Ų65118.2 Ų118.239%0.39459%0.594SS.*Hα-helixtrans-63-46.9177.4175.70000111.4N239 Q245 Q246 E247N239-V243 WeakPolarHBondContact O-CG2 3.36Å; N239-V243 PolarHBondContact O-N 3.4Å; N239-V243 VanDerWaalsContact O-N 3.13Å; V243-Q245 VanDerWaalsContact C-N 3.3Å; V243-Q245 PolarHBondContact O-N 3.23Å; V243-Q246 PolarHBondContact O-N 3.38Å; V243-Q246 VanDerWaalsContact O-N 3.14Å; V243-E247 WeakPolarHBondContact O-CG 3.5Å; V243-E247 PolarHBondContact O-N 3.06Å
244R81.4Confident76.8Confident161 Ų161115.4 Ų115.461%0.60858%0.578SS**Hα-helixtrans-63.4-34.6177-71.3179.4-172.9148.58.6112.9Q240 A248Q240-R244 WeakPolarHBondContact O-CG 3.33Å; Q240-R244 PolarHBondContact O-N 3.18Å; Q240-R244 VanDerWaalsContact O-N 3.14Å; R244-A248 WeakPolarHBondContact O-CB 3.46Å; R244-A248 PolarHBondContact O-N 3.26Å
245Q86.3Confident79.1Confident145 Ų145113.2 Ų113.268%0.67857%0.568SS**Hα-helixtrans-66.6-42173.9-77.3174.528.600111.5G241 A242 V243 A248 E249G241-Q245 WeakPolarHBondContact O-CB 3.44Å; G241-Q245 VanDerWaalsContact O-CG 3.24Å; G241-Q245 WeakPolarHBondContact O-CG 3.4Å; G241-Q245 PolarHBondContact O-N 2.96Å; G241-Q245 VanDerWaalsContact O-N 3.07Å; A242-Q245 PolarHBondContact O-N 3.15Å; V243-Q245 VanDerWaalsContact C-N 3.3Å; V243-Q245 PolarHBondContact O-N 3.23Å; Q245-A248 PolarHBondContact O-N 3.45Å; Q245-E249 WeakPolarHBondContact O-CB 3.24Å; Q245-E249 PolarHBondContact O-N 2.92Å
246Q86.4Confident81.2Confident142 Ų142112.2 Ų112.266%0.66456%0.559SS**Hα-helixtrans-66.5-39.3177.6-170.5177.5-29.600112A242 V243 E249 K250A242-Q246 WeakPolarHBondContact O-CB 3.48Å; A242-Q246 PolarHBondContact O-N 3.14Å; V243-Q246 PolarHBondContact O-N 3.38Å; V243-Q246 VanDerWaalsContact O-N 3.14Å; Q246-E249 PolarHBondContact O-N 3.2Å; Q246-K250 WeakPolarHBondContact O-CB 3.27Å; Q246-K250 PolarHBondContact O-N 3.47Å
247E91.1Very high83.3Confident103 Ų103107.8 Ų107.848%0.48154%0.544SS..Hα-helixtrans-63.6-44.6173.5-73.2172.8170.900111.9V243 E249 K250 D251V243-E247 WeakPolarHBondContact O-CG 3.5Å; V243-E247 PolarHBondContact O-N 3.06Å; E247-E249 VanDerWaalsContact C-N 3.32Å; E247-E249 PolarHBondContact O-N 2.95Å; E247-K250 WeakPolarHBondContact O-CB 3.3Å; E247-K250 PolarHBondContact O-N 3.33Å; E247-D251 PolarHBondContact O-N 2.77Å
248A93.7Very high85.3Confident60 Ų60104.6 Ų104.650%0.49653%0.53SS..Hα-helixtrans-64.9-35.6176.200000112.4R244 Q245 R252R244-A248 WeakPolarHBondContact O-CB 3.46Å; R244-A248 PolarHBondContact O-N 3.26Å; Q245-A248 PolarHBondContact O-N 3.45Å; A248-R252 VanDerWaalsContact O-CB 3.28Å; A248-R252 WeakPolarHBondContact O-CB 3.47Å; A248-R252 PolarHBondContact O-N 2.77Å
249E93.3Very high87.2Confident130 Ų130104.4 Ų104.461%0.60752%0.523SS*.Hα-helixtrans-67.7-41.8173.8-173.9169.9-164.500111.7Q245 Q246 E247 R252 L253Q245-E249 WeakPolarHBondContact O-CB 3.24Å; Q245-E249 PolarHBondContact O-N 2.92Å; Q246-E249 PolarHBondContact O-N 3.2Å; E247-E249 VanDerWaalsContact C-N 3.32Å; E247-E249 PolarHBondContact O-N 2.95Å; E249-R252 PolarHBondContact O-N 3.44Å; E249-L253 WeakPolarHBondContact O-CB 3.22Å; E249-L253 PolarHBondContact O-N 3.33Å
250K95.3Very high88.9Confident108 Ų108102.7 Ų102.747%0.4751%0.511SS..Hα-helixtrans-57.6-50.2172.6-177-164.866.963.20111.1Q246 E247 R252 L253 L254Q246-K250 WeakPolarHBondContact O-CB 3.27Å; Q246-K250 PolarHBondContact O-N 3.47Å; E247-K250 WeakPolarHBondContact O-CB 3.3Å; E247-K250 PolarHBondContact O-N 3.33Å; K250-R252 VanDerWaalsContact C-N 3.31Å; K250-R252 PolarHBondContact O-N 2.83Å; K250-L253 PolarHBondContact O-N 2.95Å; K250-L254 HydrophobicContact CD-CD1 4.44Å; K250-L254 HydrophobicContact CG-CD1 4.06Å; K250-L254 WeakPolarHBondContact O-CG 3.48Å; K250-L254 PolarHBondContact O-N 2.8Å
251D95.1Very high90.1Very high90 Ų90102.6 Ų102.648%0.48151%0.514SS..Hα-helixtrans-63.3-40.4-178.9-73-11.7000111.7E247 L253 L254 E255E247-D251 PolarHBondContact O-N 2.77Å; D251-L253 PolarHBondContact O-N 3.31Å; D251-L254 PolarHBondContact O-N 2.93Å; D251-E255 WeakPolarHBondContact O-CB 3.39Å; D251-E255 PolarHBondContact O-N 3.41Å
252R96.7Very high91.2Very high158 Ų158108.6 Ų108.660%0.59653%0.532SS*.Hα-helixtrans-62.1-42.2173.8-179.1-178.5157.9-126.7-19112A248 E249 K250 E255 E256A248-R252 VanDerWaalsContact O-CB 3.28Å; A248-R252 WeakPolarHBondContact O-CB 3.47Å; A248-R252 PolarHBondContact O-N 2.77Å; E249-R252 PolarHBondContact O-N 3.44Å; K250-R252 VanDerWaalsContact C-N 3.31Å; K250-R252 PolarHBondContact O-N 2.83Å; R252-E255 PolarHBondContact O-N 3.03Å; R252-E256 IonicContact NH2-OE2 3.12Å; R252-E256 WeakPolarHBondContact O-CB 3.28Å; R252-E256 PolarHBondContact O-N 3.33Å
253L96.6Very high92Very high117 Ų117112.4 Ų112.461%0.61354%0.536SS*.Hα-helixtrans-66.1-42178.9-174.863.4000111.4E249 K250 D251 E256 A257E249-L253 WeakPolarHBondContact O-CB 3.22Å; E249-L253 PolarHBondContact O-N 3.33Å; K250-L253 PolarHBondContact O-N 2.95Å; D251-L253 PolarHBondContact O-N 3.31Å; L253-E256 PolarHBondContact O-N 2.95Å; L253-A257 WeakPolarHBondContact O-CB 3.28Å; L253-A257 PolarHBondContact O-N 2.97Å
254L95.4Very high92.2Very high91 Ų91113.2 Ų113.248%0.47654%0.536SS..Hα-helixtrans-62.6-42.7175-71.8169.6000111.7K250 D251 A257 M258K250-L254 HydrophobicContact CD-CD1 4.44Å; K250-L254 HydrophobicContact CG-CD1 4.06Å; K250-L254 WeakPolarHBondContact O-CG 3.48Å; K250-L254 PolarHBondContact O-N 2.8Å; D251-L254 PolarHBondContact O-N 2.93Å; L254-A257 PolarHBondContact O-N 3.44Å; L254-M258 WeakPolarHBondContact O-CG 3.4Å; L254-M258 PolarHBondContact O-N 2.71Å
255E96.3Very high92.5Very high136 Ų136111.9 Ų111.964%0.63653%0.534SS*.Hα-helixtrans-64.7-40.3176.1-171.6177-163.200112.2D251 R252 M258 K259D251-E255 WeakPolarHBondContact O-CB 3.39Å; D251-E255 PolarHBondContact O-N 3.41Å; R252-E255 PolarHBondContact O-N 3.03Å; E255-M258 HydrophobicContact CB-CE 4.47Å; E255-M258 PolarHBondContact O-N 3.01Å; E255-K259 WeakPolarHBondContact O-CB 3.45Å; E255-K259 PolarHBondContact O-N 3.19Å
256E95.6Very high92.6Very high104 Ų104112.8 Ų112.849%0.48653%0.533SS..Hα-helixtrans-63-44.4175.5-174157.6-17000111.6R252 L253 K259 E260R252-E256 IonicContact NH2-OE2 3.12Å; R252-E256 WeakPolarHBondContact O-CB 3.28Å; R252-E256 PolarHBondContact O-N 3.33Å; L253-E256 PolarHBondContact O-N 2.95Å; E256-K259 WeakPolarHBondContact O-CB 3.5Å; E256-K259 PolarHBondContact O-N 3.01Å; E256-E260 PolarHBondContact O-N 3.27Å
257A94.9Very high92.7Very high51 Ų51108.6 Ų108.642%0.42152%0.519SS..Hα-helixtrans-61.1-46.217500000112.3L253 L254 K259 E260 L261L253-A257 WeakPolarHBondContact O-CB 3.28Å; L253-A257 PolarHBondContact O-N 2.97Å; L254-A257 PolarHBondContact O-N 3.44Å; A257-K259 PolarHBondContact O-N 3.27Å; A257-E260 PolarHBondContact O-N 2.93Å; A257-E260 VanDerWaalsContact O-N 3.17Å; A257-L261 PolarHBondContact O-N 3.14Å
258M94.1Very high92.5Very high106 Ų106105.2 Ų105.252%0.52250%0.503SS..Hα-helixtrans-60.7-33.5175.7-75.4-169.9-72.500112.7L254 E255 K262L254-M258 WeakPolarHBondContact O-CG 3.4Å; L254-M258 PolarHBondContact O-N 2.71Å; E255-M258 HydrophobicContact CB-CE 4.47Å; E255-M258 PolarHBondContact O-N 3.01Å; M258-K262 WeakPolarHBondContact O-CG 3.41Å; M258-K262 PolarHBondContact O-N 2.96Å
259K95.6Very high92.2Very high118 Ų118106.3 Ų106.351%0.51350%0.501SS..Hα-helixtrans-72.6-37.8177.4-172.7178.7-174.6175.50111.9E255 E256 A257 K262 R263E255-K259 WeakPolarHBondContact O-CB 3.45Å; E255-K259 PolarHBondContact O-N 3.19Å; E256-K259 WeakPolarHBondContact O-CB 3.5Å; E256-K259 PolarHBondContact O-N 3.01Å; A257-K259 PolarHBondContact O-N 3.27Å; K259-K262 PolarHBondContact O-N 3.4Å; K259-R263 WeakPolarHBondContact O-CG 3.24Å; K259-R263 PolarHBondContact O-N 3.2Å; K259-R263 VanDerWaalsContact O-N 3.15Å
260E90.9Very high92Very high82 Ų82105.4 Ų105.438%0.38350%0.497SS..Hα-helixtrans-65.5-47.4176.2-156.762.6-155.800110.9E256 A257 K262 R263 E264E256-E260 PolarHBondContact O-N 3.27Å; A257-E260 PolarHBondContact O-N 2.93Å; A257-E260 VanDerWaalsContact O-N 3.17Å; E260-K262 PolarHBondContact O-N 3.46Å; E260-R263 WeakPolarHBondContact O-CA 3.45Å; E260-R263 WeakPolarHBondContact O-CB 3.36Å; E260-R263 PolarHBondContact O-N 3.45Å; E260-R263 IonicContact OE2-CZ 2.69Å; E260-R263 IonicContact OE2-NH1 3.41Å; E260-R263 PolarHBondContact OE2-NH1 2.87Å; E260-E264 PolarHBondContact O-N 3.03Å
261L88.2Confident91.7Very high111 Ų111104.1 Ų104.158%0.58149%0.494SS*.Hα-helixtrans-54.8-38.7174.1-74.1171000112.8A257 K265A257-L261 PolarHBondContact O-N 3.14Å; L261-K265 WeakPolarHBondContact O-CB 3.48Å; L261-K265 PolarHBondContact O-N 3.22Å
262K91.5Very high91.3Very high154 Ų154101 Ų10167%0.6748%0.477SS*.Hα-helixtrans-66.8-36.8175.3-76.3172.1-175.41710112.7M258 K259 E260 Y266M258-K262 WeakPolarHBondContact O-CG 3.41Å; M258-K262 PolarHBondContact O-N 2.96Å; K259-K262 PolarHBondContact O-N 3.4Å; E260-K262 PolarHBondContact O-N 3.46Å; K262-Y266 PolarHBondContact O-N 3.3Å; K262-Y266 VanDerWaalsContact O-N 3.1Å
263R91.9Very high91Very high128 Ų12899.7 Ų99.748%0.48348%0.478SS..Hα-helixtrans-69.3-44.5176.9-70.2166.9175.6163.7-5.1110.9K259 E260 Y266 S267K259-R263 WeakPolarHBondContact O-CG 3.24Å; K259-R263 PolarHBondContact O-N 3.2Å; K259-R263 VanDerWaalsContact O-N 3.15Å; E260-R263 WeakPolarHBondContact O-CA 3.45Å; E260-R263 WeakPolarHBondContact O-CB 3.36Å; E260-R263 PolarHBondContact O-N 3.45Å; E260-R263 IonicContact OE2-CZ 2.69Å; E260-R263 IonicContact OE2-NH1 3.41Å; E260-R263 PolarHBondContact OE2-NH1 2.87Å; R263-Y266 PolarHBondContact O-N 3.13Å; R263-S267 PolarHBondContact O-N 2.89Å
264E86.6Confident90.5Very high82 Ų8299.4 Ų99.438%0.38347%0.474SS..Hα-helixtrans-59.5-47.8176.2-73.4173.7-178.800110.6E260 Y266 S267 Q268E260-E264 PolarHBondContact O-N 3.03Å; E264-Y266 VanDerWaalsContact C-N 3.35Å; E264-Y266 PolarHBondContact O-N 3.12Å; E264-S267 WeakPolarHBondContact CA-OG 3.37Å; E264-S267 PolarHBondContact O-N 3.18Å; E264-S267 VanDerWaalsContact O-N 3.11Å; E264-S267 PolarHBondContact O-OG 2.92Å; E264-Q268 WeakPolarHBondContact O-CB 3.46Å; E264-Q268 PolarHBondContact O-N 3.4Å
265K86.7Confident90.1Very high134 Ų13495.9 Ų95.958%0.58346%0.458SS*.Hα-helixtrans-56.5-45.7174.6-177.1170-178.3156.30112.8L261 S267 Q268 D269L261-K265 WeakPolarHBondContact O-CB 3.48Å; L261-K265 PolarHBondContact O-N 3.22Å; K265-S267 VanDerWaalsContact C-N 3.34Å; K265-S267 PolarHBondContact O-N 3.49Å; K265-Q268 WeakPolarHBondContact O-CB 3.39Å; K265-Q268 PolarHBondContact O-N 3.42Å; K265-D269 PolarHBondContact O-N 2.98Å
266Y88.8Confident89.7Confident164 Ų16493.4 Ų93.464%0.64345%0.445SS*.Hα-helixtrans-62.1-42176.5-179-94.6000112K262 R263 E264 Q268 D269 E270K262-Y266 PolarHBondContact O-N 3.3Å; K262-Y266 VanDerWaalsContact O-N 3.1Å; R263-Y266 PolarHBondContact O-N 3.13Å; E264-Y266 VanDerWaalsContact C-N 3.35Å; E264-Y266 PolarHBondContact O-N 3.12Å; Y266-Q268 VanDerWaalsContact C-N 3.33Å; Y266-D269 PolarHBondContact O-N 2.93Å; Y266-E270 PolarHBondContact O-N 3.06Å
267S88.6Confident89.3Confident53 Ų5396.5 Ų96.537%0.37145%0.453SS..Hα-helixtrans-65.2-37.617772.80000112.2R263 E264 K265 E270 I271R263-S267 PolarHBondContact O-N 2.89Å; E264-S267 WeakPolarHBondContact CA-OG 3.37Å; E264-S267 PolarHBondContact O-N 3.18Å; E264-S267 VanDerWaalsContact O-N 3.11Å; E264-S267 PolarHBondContact O-OG 2.92Å; K265-S267 VanDerWaalsContact C-N 3.34Å; K265-S267 PolarHBondContact O-N 3.49Å; S267-E270 PolarHBondContact O-N 3.37Å; S267-I271 VanDerWaalsContact O-CG1 3.26Å; S267-I271 WeakPolarHBondContact O-CG1 3.3Å; S267-I271 PolarHBondContact O-N 3.11Å
268Q85.8Confident88.9Confident33 Ų3399.5 Ų99.515%0.15446%0.461CS..Hα-helixtrans-64.9-42.5175.7-171-179.924.400111.4E264 K265 Y266 E270 I271 L272 A293 F296E264-Q268 WeakPolarHBondContact O-CB 3.46Å; E264-Q268 PolarHBondContact O-N 3.4Å; K265-Q268 WeakPolarHBondContact O-CB 3.39Å; K265-Q268 PolarHBondContact O-N 3.42Å; Y266-Q268 VanDerWaalsContact C-N 3.33Å; Q268-E270 VanDerWaalsContact C-N 3.33Å; Q268-E270 PolarHBondContact O-N 2.9Å; Q268-I271 PolarHBondContact O-N 2.92Å; Q268-L272 WeakPolarHBondContact O-CB 3.42Å; Q268-L272 PolarHBondContact O-N 3.14Å; Q268-A293 PolarHBondContact NE2-O 3.36Å; Q268-F296 HydrophobicContact CG-CB 4.28Å
269D87.4Confident88.4Confident83 Ų8394.8 Ų94.844%0.44444%0.439SS..Hα-helixtrans-62.4-39.7175.3-75.8-19.5000111.7K265 Y266 L272 H273K265-D269 PolarHBondContact O-N 2.98Å; Y266-D269 PolarHBondContact O-N 2.93Å; D269-L272 PolarHBondContact O-N 2.95Å; D269-H273 WeakPolarHBondContact O-CB 3.38Å; D269-H273 PolarHBondContact O-N 2.91Å
270E90.3Very high88Confident111 Ų11195.9 Ų95.952%0.51945%0.446SS..Hα-helixtrans-64.7-44.6175.7-172.2173.1-160.900111.6Y266 S267 Q268 L272 H273 M274Y266-E270 PolarHBondContact O-N 3.06Å; S267-E270 PolarHBondContact O-N 3.37Å; Q268-E270 VanDerWaalsContact C-N 3.33Å; Q268-E270 PolarHBondContact O-N 2.9Å; E270-L272 PolarHBondContact O-N 3.4Å; E270-H273 PolarHBondContact O-N 3.26Å; E270-M274 WeakPolarHBondContact O-CG 3.48Å; E270-M274 PolarHBondContact O-N 3.44Å
271I88.6Confident87.8Confident80 Ų8098.3 Ų98.341%0.4146%0.461SS..Hα-helixtrans-60.7-45.5175.5-68.8164.3000110.6S267 Q268 H273 M274 A275 F296S267-I271 VanDerWaalsContact O-CG1 3.26Å; S267-I271 WeakPolarHBondContact O-CG1 3.3Å; S267-I271 PolarHBondContact O-N 3.11Å; Q268-I271 PolarHBondContact O-N 2.92Å; I271-H273 VanDerWaalsContact C-N 3.34Å; I271-H273 PolarHBondContact O-N 3.44Å; I271-M274 WeakPolarHBondContact O-CB 3.4Å; I271-M274 PolarHBondContact O-N 3.38Å; I271-A275 WeakPolarHBondContact O-CB 3.43Å; I271-A275 PolarHBondContact O-N 3.36Å; I271-F296 HydrophobicContact CG2-CB 4.43Å; I271-F296 HydrophobicContact CG2-CD1 3.53Å; I271-F296 HydrophobicContact CG2-CE1 3.85Å; I271-F296 HydrophobicContact CG2-CG 3.9Å; I271-F296 HydrophobicContact CG2-CZ 4.47Å
272L87.1Confident87.3Confident26 Ų26100.5 Ų100.514%0.13647%0.466CS..Hα-helixtrans-62.1-41.6178178.1145.1000111.7Q268 D269 E270 A275 K276 A293Q268-L272 WeakPolarHBondContact O-CB 3.42Å; Q268-L272 PolarHBondContact O-N 3.14Å; D269-L272 PolarHBondContact O-N 2.95Å; E270-L272 PolarHBondContact O-N 3.4Å; L272-A275 PolarHBondContact O-N 3.07Å; L272-K276 HydrophobicContact CD2-CD 3.86Å; L272-K276 VanDerWaalsContact CD2-CE 3.5Å; L272-K276 HydrophobicContact CD2-CG 4.47Å; L272-K276 WeakPolarHBondContact O-CG 3.48Å; L272-K276 PolarHBondContact O-N 3Å; L272-A293 HydrophobicContact CD1-CB 3.87Å
273H89.4Confident86.8Confident130 Ų13096.7 Ų96.760%0.60247%0.47SS*.Hα-helixtrans-63.7-41.5175.2-179.7-102000111.9D269 E270 I271 R277D269-H273 WeakPolarHBondContact O-CB 3.38Å; D269-H273 PolarHBondContact O-N 2.91Å; E270-H273 PolarHBondContact O-N 3.26Å; I271-H273 VanDerWaalsContact C-N 3.34Å; I271-H273 PolarHBondContact O-N 3.44Å; H273-R277 PolarHBondContact O-N 2.93Å; H273-R277 VanDerWaalsContact O-N 3.12Å
274M87.3Confident86Confident111 Ų11194.3 Ų94.355%0.54746%0.464SS..Hα-helixtrans-62.3-43.1173.4-71.3-179.162.500111.9E270 I271 R277 L278E270-M274 WeakPolarHBondContact O-CG 3.48Å; E270-M274 PolarHBondContact O-N 3.44Å; I271-M274 WeakPolarHBondContact O-CB 3.4Å; I271-M274 PolarHBondContact O-N 3.38Å; M274-R277 WeakPolarHBondContact O-CB 3.49Å; M274-R277 PolarHBondContact O-N 3.03Å; M274-L278 WeakPolarHBondContact O-CG 3.48Å; M274-L278 PolarHBondContact O-N 2.9Å
275A86.6Confident85.2Confident17 Ų1793.9 Ų93.914%0.1447%0.465CS..Hα-helixtrans-63.4-44.7178.900000112.1I271 L272 R277 L278 A279 V291 F296I271-A275 WeakPolarHBondContact O-CB 3.43Å; I271-A275 PolarHBondContact O-N 3.36Å; L272-A275 PolarHBondContact O-N 3.07Å; A275-R277 VanDerWaalsContact C-N 3.3Å; A275-R277 PolarHBondContact O-N 2.9Å; A275-L278 WeakPolarHBondContact O-CB 3.28Å; A275-L278 PolarHBondContact O-N 3.09Å; A275-L278 VanDerWaalsContact O-N 3.13Å; A275-A279 PolarHBondContact O-N 2.94Å; A275-V291 HydrophobicContact CB-CG1 3.59Å; A275-F296 HydrophobicContact CB-CE1 4.38Å; A275-F296 HydrophobicContact CB-CE2 3.98Å; A275-F296 HydrophobicContact CB-CZ 3.49Å; A275-F296 VanDerWaalsContact CB-CZ 3.49Å
276K87.1Confident84.1Confident83 Ų8389.2 Ų89.236%0.36145%0.448SS..Hα-helixtrans-58.3-42.1173.6-74.8-178.5176.7-176.10112.3L272 L278 A279 Q280L272-K276 HydrophobicContact CD2-CD 3.86Å; L272-K276 VanDerWaalsContact CD2-CE 3.5Å; L272-K276 HydrophobicContact CD2-CG 4.47Å; L272-K276 WeakPolarHBondContact O-CG 3.48Å; L272-K276 PolarHBondContact O-N 3Å; K276-L278 VanDerWaalsContact C-N 3.35Å; K276-A279 PolarHBondContact O-N 2.65Å; K276-Q280 PolarHBondContact O-N 3.31Å; K276-Q280 VanDerWaalsContact O-N 3.07Å
277R88.4Confident82.8Confident170 Ų17087.9 Ų87.964%0.64245%0.452SS*.Hα-helixtrans-64.5-39.3176.3-173.1179.9-179.6-166.20.3112.1H273 M274 A275 L281H273-R277 PolarHBondContact O-N 2.93Å; H273-R277 VanDerWaalsContact O-N 3.12Å; M274-R277 WeakPolarHBondContact O-CB 3.49Å; M274-R277 PolarHBondContact O-N 3.03Å; A275-R277 VanDerWaalsContact C-N 3.3Å; A275-R277 PolarHBondContact O-N 2.9Å; R277-L281 HydrophobicContact CG-CD1 4.43Å; R277-L281 WeakPolarHBondContact O-CG 3.44Å; R277-L281 PolarHBondContact O-N 2.88Å; R277-L281 VanDerWaalsContact O-N 3.08Å
278L84.9Confident81.5Confident114 Ų11493.3 Ų93.360%0.59747%0.469SS*.Hα-helixtrans-66.2-43.1176.4-71.9171.1000111.9M274 A275 K276 Q280 L281 K282M274-L278 WeakPolarHBondContact O-CG 3.48Å; M274-L278 PolarHBondContact O-N 2.9Å; A275-L278 WeakPolarHBondContact O-CB 3.28Å; A275-L278 PolarHBondContact O-N 3.09Å; A275-L278 VanDerWaalsContact O-N 3.13Å; K276-L278 VanDerWaalsContact C-N 3.35Å; L278-Q280 VanDerWaalsContact C-N 3.34Å; L278-Q280 PolarHBondContact O-N 3.39Å; L278-L281 PolarHBondContact O-N 3.42Å; L278-K282 WeakPolarHBondContact O-CB 3.33Å; L278-K282 PolarHBondContact O-N 3.37Å
279A85.1Confident80.2Confident7 Ų795.6 Ų95.66%0.05848%0.482CS..Hα-helixtrans-57.4-48.317500000111A275 K276 L281 K282 G283 Q284A275-A279 PolarHBondContact O-N 2.94Å; K276-A279 PolarHBondContact O-N 2.65Å; A279-L281 VanDerWaalsContact C-N 3.33Å; A279-L281 PolarHBondContact O-N 3.14Å; A279-K282 WeakPolarHBondContact O-CB 3.41Å; A279-K282 PolarHBondContact O-N 3.22Å; A279-G283 PolarHBondContact O-N 3.3Å; A279-Q284 CarbonylContact C-O 3.52Å; A279-Q284 HydrophobicContact CB-CB 4.29Å; A279-Q284 WeakPolarHBondContact O-CB 3.26Å; A279-Q284 PolarHBondContact O-N 3.13Å
280Q87.1Confident78.8Confident140 Ų14097.3 Ų97.365%0.65449%0.491SS*.Hα-helixtrans-60.2-40.9177.9-168.217432.100112.7K276 L278 K282 G283K276-Q280 PolarHBondContact O-N 3.31Å; K276-Q280 VanDerWaalsContact O-N 3.07Å; L278-Q280 VanDerWaalsContact C-N 3.34Å; L278-Q280 PolarHBondContact O-N 3.39Å; Q280-K282 VanDerWaalsContact C-N 3.29Å; Q280-K282 PolarHBondContact O-N 3.3Å; Q280-G283 PolarHBondContact O-N 3.26Å
281L85.6Confident77.5Confident134 Ų13493.3 Ų93.370%0.70247%0.474SS*.Hα-helixtrans-68.1-28.3176.2-73.8172.2000113R277 L278 A279 G283R277-L281 HydrophobicContact CG-CD1 4.43Å; R277-L281 WeakPolarHBondContact O-CG 3.44Å; R277-L281 PolarHBondContact O-N 2.88Å; R277-L281 VanDerWaalsContact O-N 3.08Å; L278-L281 PolarHBondContact O-N 3.42Å; A279-L281 VanDerWaalsContact C-N 3.33Å; A279-L281 PolarHBondContact O-N 3.14Å; L281-G283 PolarHBondContact O-N 2.71Å
282K79.3Confident76.4Confident156 Ų15691.5 Ų91.568%0.67847%0.467SS*.THydrogen-bonded Turntrans-79.7-0.6176.8-157.4173.4173.9-165.30112.7L278 A279 Q280 Q284L278-K282 WeakPolarHBondContact O-CB 3.33Å; L278-K282 PolarHBondContact O-N 3.37Å; A279-K282 WeakPolarHBondContact O-CB 3.41Å; A279-K282 PolarHBondContact O-N 3.22Å; Q280-K282 VanDerWaalsContact C-N 3.29Å; Q280-K282 PolarHBondContact O-N 3.3Å; K282-Q284 PolarHBondContact O-N 3.17Å
283G80.1Confident75.3Confident74 Ų7491.4 Ų91.476%0.76347%0.47SS*.THydrogen-bonded Turntrans73.114.6-175.300000113.4A279 Q280 L281A279-G283 PolarHBondContact O-N 3.3Å; Q280-G283 PolarHBondContact O-N 3.26Å; L281-G283 PolarHBondContact O-N 2.71Å
284Q76.1Confident74.1Confident78 Ų7890.1 Ų90.136%0.36446%0.464SS..  trans-88.7141.8173.6-78.5177.3-25.600109.4A279 K282 P286 D289A279-Q284 CarbonylContact C-O 3.52Å; A279-Q284 HydrophobicContact CB-CB 4.29Å; A279-Q284 WeakPolarHBondContact O-CB 3.26Å; A279-Q284 PolarHBondContact O-N 3.13Å; K282-Q284 PolarHBondContact O-N 3.17Å; Q284-P286 WeakPolarHBondContact O-CD 3.46Å; Q284-D289 WeakPolarHBondContact CB-OD2 3.43Å; Q284-D289 VanDerWaalsContact CD-OD2 3.27Å; Q284-D289 WeakPolarHBondContact CG-OD2 3.38Å
285D69.8Low73.2Confident74 Ų7488.8 Ų88.840%0.39646%0.459SS..  trans-81.2115178.4-175.4-21.1000108.6D287 K288 D289D285-D287 PolarHBondContact O-N 3.16Å; D285-D287 VanDerWaalsContact O-N 3.11Å; D285-D287 PolarHBondContact OD1-N 2.97Å; D285-D287 VanDerWaalsContact OD1-N 3.14Å; D285-K288 HydrophobicContact CB-CB 4.06Å; D285-K288 HydrophobicContact CB-CD 4.24Å; D285-K288 HydrophobicContact CB-CG 4.23Å; D285-K288 PolarHBondContact O-N 3.4Å; D285-D289 PolarHBondContact O-N 3.39Å; D285-D289 VanDerWaalsContact O-N 3.15Å
286P61.7Low72.3Confident35 Ų3591.7 Ų91.723%0.22747%0.468CS..THydrogen-bonded Turntrans-62.4-20.4-173.625.6-34.4000113.6Q284Q284-P286 WeakPolarHBondContact O-CD 3.46Å
287D63.4Low71.4Confident136 Ų13694.7 Ų94.773%0.72748%0.478SS*.THydrogen-bonded Turntrans-92.6-17.9178.2-71.5-28.5000112.9D285D285-D287 PolarHBondContact O-N 3.16Å; D285-D287 VanDerWaalsContact O-N 3.11Å; D285-D287 PolarHBondContact OD1-N 2.97Å; D285-D287 VanDerWaalsContact OD1-N 3.14Å
288K59.4Low70.1Confident167 Ų16793.7 Ų93.773%0.72648%0.48SS*.THydrogen-bonded Turntrans-93.1-31.2177.4-72.6-176.2176.5174.30114D285 L290D285-K288 HydrophobicContact CB-CB 4.06Å; D285-K288 HydrophobicContact CB-CD 4.24Å; D285-K288 HydrophobicContact CB-CG 4.23Å; D285-K288 PolarHBondContact O-N 3.4Å; K288-L290 PolarHBondContact O-N 3.2Å
289D58.4Low68.7Low82 Ų8291.2 Ų91.244%0.43947%0.471SS..THydrogen-bonded Turntrans-86.911.2179.8-76.4-19.3000113.3Q284 D285 V291Q284-D289 WeakPolarHBondContact CB-OD2 3.43Å; Q284-D289 VanDerWaalsContact CD-OD2 3.27Å; Q284-D289 WeakPolarHBondContact CG-OD2 3.38Å; D285-D289 PolarHBondContact O-N 3.39Å; D285-D289 VanDerWaalsContact O-N 3.15Å; D289-V291 VanDerWaalsContact C-N 3.32Å; D289-V291 PolarHBondContact O-N 3.4Å; D289-V291 VanDerWaalsContact O-N 3.16Å
290L59.6Low66.9Low118 Ų11898.2 Ų98.262%0.61851%0.507SS*.THydrogen-bonded Turntrans46.748.2170-158.873.4000113.7K288 T292K288-L290 PolarHBondContact O-N 3.2Å; L290-T292 HydrophobicContact CD1-CG2 3.72Å; L290-T292 HydrophobicContact CD2-CG2 4.47Å; L290-T292 HydrophobicContact CG-CG2 3.61Å; L290-T292 PolarHBondContact O-N 3.46Å
291V62.8Low65.3Low28 Ų2894.9 Ų94.917%0.1750%0.5CS..  trans-7183.3170-177.50000108.1A275 D289 F296A275-V291 HydrophobicContact CB-CG1 3.59Å; D289-V291 VanDerWaalsContact C-N 3.32Å; D289-V291 PolarHBondContact O-N 3.4Å; D289-V291 VanDerWaalsContact O-N 3.16Å; V291-F296 HydrophobicContact CG1-CE2 3.68Å; V291-F296 HydrophobicContact CG1-CZ 4.06Å
292T64.7Low63.7Low41 Ų4198.4 Ų98.425%0.25251%0.512SS..  trans-95160.6-177.950.70000111.1L290 E294 D295 F296L290-T292 HydrophobicContact CD1-CG2 3.72Å; L290-T292 HydrophobicContact CD2-CG2 4.47Å; L290-T292 HydrophobicContact CG-CG2 3.61Å; L290-T292 PolarHBondContact O-N 3.46Å; T292-E294 PolarHBondContact O-N 3Å; T292-D295 PolarHBondContact O-N 3.18Å; T292-F296 WeakPolarHBondContact O-CD2 3.28Å
293A63.6Low62.5Low24 Ų2498.7 Ų98.720%0.19852%0.516CS..G310 helixtrans-61.7-30.6176.900000111.1Q268 L272 D295 F296 R297Q268-A293 PolarHBondContact NE2-O 3.36Å; L272-A293 HydrophobicContact CD1-CB 3.87Å; A293-D295 VanDerWaalsContact C-N 3.29Å; A293-D295 PolarHBondContact O-N 3.48Å; A293-F296 PolarHBondContact O-N 3.16Å; A293-F296 VanDerWaalsContact O-N 3.12Å; A293-R297 PolarHBondContact O-N 3.09Å
294E65.1Low62Low103 Ų10398 Ų9848%0.48149%0.493SS..G310 helixtrans-54.7-37.9176-77.560.8-146.300113.3T292 F296 R297T292-E294 PolarHBondContact O-N 3Å; E294-F296 PolarHBondContact O-N 3.26Å; E294-R297 PolarHBondContact O-N 2.97Å; E294-R297 IonicContact OE1-CZ 2.77Å; E294-R297 IonicContact OE1-NH1 2.77Å; E294-R297 PolarHBondContact OE1-NH1 2.69Å; E294-R297 IonicContact OE1-NH2 3.03Å; E294-R297 PolarHBondContact OE1-NH2 3.42Å
295D67.6Low62.2Low83 Ų8397.8 Ų97.844%0.44450%0.497SS..G310 helixtrans-69-15.2-179.9-83-14.3000113.5T292 A293 K315T292-D295 PolarHBondContact O-N 3.18Å; A293-D295 VanDerWaalsContact C-N 3.29Å; A293-D295 PolarHBondContact O-N 3.48Å; D295-K315 VanDerWaalsContact CG-NZ 3.26Å; D295-K315 IonicContact OD1-NZ 3.95Å; D295-K315 PolarHBondContact OD1-NZ 3.3Å; D295-K315 IonicContact OD2-NZ 2.71Å; D295-K315 PolarHBondContact OD2-NZ 2.92Å; D295-K315 VanDerWaalsContact OD2-NZ 3.14Å
296F68.4Low62.7Low78 Ų78102.1 Ų102.134%0.34252%0.515SS..G310 helixtrans-113.48.9179.8-55.1-77.6000113.4Q268 I271 A275 V291 T292 A293 E294Q268-F296 HydrophobicContact CG-CB 4.28Å; I271-F296 HydrophobicContact CG2-CB 4.43Å; I271-F296 HydrophobicContact CG2-CD1 3.53Å; I271-F296 HydrophobicContact CG2-CE1 3.85Å; I271-F296 HydrophobicContact CG2-CG 3.9Å; I271-F296 HydrophobicContact CG2-CZ 4.47Å; A275-F296 HydrophobicContact CB-CE1 4.38Å; A275-F296 HydrophobicContact CB-CE2 3.98Å; A275-F296 HydrophobicContact CB-CZ 3.49Å; A275-F296 VanDerWaalsContact CB-CZ 3.49Å; V291-F296 HydrophobicContact CG1-CE2 3.68Å; V291-F296 HydrophobicContact CG1-CZ 4.06Å; T292-F296 WeakPolarHBondContact O-CD2 3.28Å; A293-F296 PolarHBondContact O-N 3.16Å; A293-F296 VanDerWaalsContact O-N 3.12Å; E294-F296 PolarHBondContact O-N 3.26Å
297R68.8Low63.6Low146 Ų146106.2 Ų106.255%0.55153%0.531SS*.SBendtrans-71.1138.9173.7-78.2-170.1-178.4126.616.7110.4A293 E294A293-R297 PolarHBondContact O-N 3.09Å; E294-R297 PolarHBondContact O-N 2.97Å; E294-R297 IonicContact OE1-CZ 2.77Å; E294-R297 IonicContact OE1-NH1 2.77Å; E294-R297 PolarHBondContact OE1-NH1 2.69Å; E294-R297 IonicContact OE1-NH2 3.03Å; E294-R297 PolarHBondContact OE1-NH2 3.42Å
298Q60.1Low64.4Low149 Ų149104 Ų10470%0.69652%0.516SS*.  trans-68.8136.3172.3-91.7179.5-46.500110.5D300Q298-D300 VanDerWaalsContact C-N 3.29Å; Q298-D300 PolarHBondContact O-N 3.36Å
299P55.3Low65.5Low62 Ų6297.8 Ų97.840%0.40350%0.496SS..SBendtrans-76.8-5.6-17029.1-35.1000115.2S301P299-S301 VanDerWaalsContact C-N 3.31Å; P299-S301 PolarHBondContact O-N 3.48Å
300D47.7Very low66.8Low154 Ų15497.9 Ų97.982%0.82450%0.5SS*.  trans-94.831.3-173.4-59.7-24.9000113Q298Q298-D300 VanDerWaalsContact C-N 3.29Å; Q298-D300 PolarHBondContact O-N 3.36Å
301S53Low67.9Low71 Ų7198.4 Ų98.450%0.49749%0.493SS..  trans-78.4129.8168.8-172.90000108.9P299 E303 E304P299-S301 VanDerWaalsContact C-N 3.31Å; P299-S301 PolarHBondContact O-N 3.48Å; S301-E303 PolarHBondContact O-N 3.45Å; S301-E304 PolarHBondContact O-N 3.28Å
302E52Low68.9Low207 Ų207102.3 Ų102.397%0.96751%0.505SS*.THydrogen-bonded Turntrans-60.61.6176.259.4-167.715100114.9
303E55.7Low69.9Low162 Ų162104.1 Ų104.176%0.75752%0.516SS*.THydrogen-bonded Turntrans-111.221.1179.7-157.5-178.1-174.200112.6S301S301-E303 PolarHBondContact O-N 3.45Å
304E69.6Low71.1Confident60 Ų60108.2 Ų108.228%0.2853%0.534SS..  trans-82.3118.8172.1-174.7168.4-163.300110.8S301 E308 A309 R312S301-E304 PolarHBondContact O-N 3.28Å; E304-E308 HydrophobicContact CG-CB 4.02Å; E304-A309 HydrophobicContact CG-CB 4.45Å; E304-A309 VanDerWaalsContact OE1-CA 3.27Å; E304-A309 WeakPolarHBondContact OE1-CA 3.45Å; E304-A309 PolarHBondContact OE1-N 3Å; E304-R312 VanDerWaalsContact CD-CZ 3.48Å; E304-R312 VanDerWaalsContact CD-NH1 3.32Å; E304-R312 IonicContact OE1-CZ 2.7Å; E304-R312 IonicContact OE1-NE 2.83Å; E304-R312 IonicContact OE1-NH1 2.94Å; E304-R312 PolarHBondContact OE1-NH1 2.81Å; E304-R312 IonicContact OE1-NH2 2.72Å; E304-R312 PolarHBondContact OE1-NH2 3.08Å; E304-R312 IonicContact OE2-CZ 3.14Å; E304-R312 IonicContact OE2-NH1 3.21Å; E304-R312 PolarHBondContact OE2-NH1 3.38Å; E304-R312 IonicContact OE2-NH2 3.8Å; E304-R312 PolarHBondContact OE2-NH2 3.07Å
305T79Confident72.1Confident73 Ų73107.3 Ų107.345%0.44853%0.529SS..  trans-76.2150.7174.958.60000111.4E307 E308 A309T305-E307 PolarHBondContact O-N 3.46Å; T305-E307 VanDerWaalsContact O-N 3.11Å; T305-E308 PolarHBondContact N-OE2 3.45Å; T305-E308 WeakPolarHBondContact O-CB 3.44Å; T305-E308 PolarHBondContact O-N 3Å; T305-E308 VanDerWaalsContact OG1-CG 3.28Å; T305-E308 WeakPolarHBondContact OG1-CG 3.31Å; T305-E308 PolarHBondContact OG1-OE2 3.11Å; T305-E308 VanDerWaalsContact OG1-OE2 3.13Å; T305-A309 PolarHBondContact O-N 3.13Å; T305-A309 VanDerWaalsContact O-N 3.14Å
306E79.9Confident72.9Confident166 Ų166109 Ų10978%0.77653%0.534SS*.Hα-helixtrans-55.7-32.4179.362.2-174.1-179.700113V310E306-V310 VanDerWaalsContact O-CG2 3.24Å; E306-V310 WeakPolarHBondContact O-CG2 3.49Å; E306-V310 PolarHBondContact O-N 3.42Å
307E82Confident73.8Confident121 Ų121110.2 Ų110.257%0.56554%0.543SS*.Hα-helixtrans-70.8-34.9176.6-57.5-171.6171.100113.2T305 V310 R311T305-E307 PolarHBondContact O-N 3.46Å; T305-E307 VanDerWaalsContact O-N 3.11Å; E307-V310 PolarHBondContact O-N 3.06Å; E307-R311 WeakPolarHBondContact O-CB 3.34Å; E307-R311 VanDerWaalsContact O-CG 3.3Å; E307-R311 WeakPolarHBondContact O-CG 3.44Å; E307-R311 PolarHBondContact O-N 3.2Å; E307-R311 IonicContact OE2-NH1 3.09Å; E307-R311 PolarHBondContact OE2-NH1 3.06Å; E307-R311 VanDerWaalsContact OE2-NH1 3.12Å; E307-R311 IonicContact OE2-NH2 3.75Å
308E80.4Confident74.7Confident88 Ų88106.7 Ų106.741%0.41154%0.541SS..Hα-helixtrans-68.3-41175.7-73174.1149.400111.1E304 T305 V310 R311 R312E304-E308 HydrophobicContact CG-CB 4.02Å; T305-E308 PolarHBondContact N-OE2 3.45Å; T305-E308 WeakPolarHBondContact O-CB 3.44Å; T305-E308 PolarHBondContact O-N 3Å; T305-E308 VanDerWaalsContact OG1-CG 3.28Å; T305-E308 WeakPolarHBondContact OG1-CG 3.31Å; T305-E308 PolarHBondContact OG1-OE2 3.11Å; T305-E308 VanDerWaalsContact OG1-OE2 3.13Å; E308-V310 VanDerWaalsContact C-N 3.34Å; E308-V310 PolarHBondContact O-N 3.14Å; E308-R311 PolarHBondContact O-N 3.26Å; E308-R312 PolarHBondContact O-N 3.06Å
309A81.6Confident76Confident37 Ų37104.4 Ų104.431%0.30653%0.53SS..Hα-helixtrans-60.6-44.3173.500000111.3E304 T305 R312 V313E304-A309 HydrophobicContact CG-CB 4.45Å; E304-A309 VanDerWaalsContact OE1-CA 3.27Å; E304-A309 WeakPolarHBondContact OE1-CA 3.45Å; E304-A309 PolarHBondContact OE1-N 3Å; T305-A309 PolarHBondContact O-N 3.13Å; T305-A309 VanDerWaalsContact O-N 3.14Å; A309-R312 PolarHBondContact O-N 3.43Å; A309-V313 WeakPolarHBondContact O-CG2 3.35Å; A309-V313 PolarHBondContact O-N 2.86Å
310V85.8Confident77.3Confident84 Ų84106.3 Ų106.351%0.50953%0.534SS..Hα-helixtrans-63.1-44.7176.2170.50000111.3E306 E307 E308 R312 V313 L314E306-V310 VanDerWaalsContact O-CG2 3.24Å; E306-V310 WeakPolarHBondContact O-CG2 3.49Å; E306-V310 PolarHBondContact O-N 3.42Å; E307-V310 PolarHBondContact O-N 3.06Å; E308-V310 VanDerWaalsContact C-N 3.34Å; E308-V310 PolarHBondContact O-N 3.14Å; V310-R312 VanDerWaalsContact C-N 3.31Å; V310-R312 PolarHBondContact O-N 3.17Å; V310-V313 PolarHBondContact O-N 3.26Å; V310-L314 HydrophobicContact CG1-CD1 3.55Å; V310-L314 WeakPolarHBondContact O-CD1 3.45Å; V310-L314 PolarHBondContact O-N 3.09Å
311R83.8Confident79.1Confident129 Ų129101.7 Ų101.749%0.48752%0.517SS..Hα-helixtrans-59.7-40.3176.6-76.4-176.7-72.3-98.17112E307 E308 L314 K315E307-R311 WeakPolarHBondContact O-CB 3.34Å; E307-R311 VanDerWaalsContact O-CG 3.3Å; E307-R311 WeakPolarHBondContact O-CG 3.44Å; E307-R311 PolarHBondContact O-N 3.2Å; E307-R311 IonicContact OE2-NH1 3.09Å; E307-R311 PolarHBondContact OE2-NH1 3.06Å; E307-R311 VanDerWaalsContact OE2-NH1 3.12Å; E307-R311 IonicContact OE2-NH2 3.75Å; E308-R311 PolarHBondContact O-N 3.26Å; R311-L314 PolarHBondContact O-N 3.22Å; R311-K315 WeakPolarHBondContact O-CB 3.39Å; R311-K315 PolarHBondContact O-N 2.91Å
312R83.1Confident80.7Confident111 Ų111100.9 Ų100.942%0.41952%0.515SS..Hα-helixtrans-62.4-46.9175.7-174.6-168.5-64.6147.2-2.7111.7E304 E308 A309 V310 L314 K315 Q316E304-R312 VanDerWaalsContact CD-CZ 3.48Å; E304-R312 VanDerWaalsContact CD-NH1 3.32Å; E304-R312 IonicContact OE1-CZ 2.7Å; E304-R312 IonicContact OE1-NE 2.83Å; E304-R312 IonicContact OE1-NH1 2.94Å; E304-R312 PolarHBondContact OE1-NH1 2.81Å; E304-R312 IonicContact OE1-NH2 2.72Å; E304-R312 PolarHBondContact OE1-NH2 3.08Å; E304-R312 IonicContact OE2-CZ 3.14Å; E304-R312 IonicContact OE2-NH1 3.21Å; E304-R312 PolarHBondContact OE2-NH1 3.38Å; E304-R312 IonicContact OE2-NH2 3.8Å; E304-R312 PolarHBondContact OE2-NH2 3.07Å; E308-R312 PolarHBondContact O-N 3.06Å; A309-R312 PolarHBondContact O-N 3.43Å; V310-R312 VanDerWaalsContact C-N 3.31Å; V310-R312 PolarHBondContact O-N 3.17Å; R312-L314 VanDerWaalsContact C-N 3.34Å; R312-L314 PolarHBondContact O-N 3.44Å; R312-K315 PolarHBondContact O-N 3.42Å; R312-Q316 WeakPolarHBondContact O-CB 3.37Å; R312-Q316 PolarHBondContact O-N 3.08Å
313V85.3Confident82Confident78 Ų7896.8 Ų96.847%0.47350%0.499SS..Hα-helixtrans-62.5-42.3178.61740000110.9A309 V310 Q316 L317A309-V313 WeakPolarHBondContact O-CG2 3.35Å; A309-V313 PolarHBondContact O-N 2.86Å; V310-V313 PolarHBondContact O-N 3.26Å; V313-Q316 PolarHBondContact O-N 2.82Å; V313-L317 HydrophobicContact CG1-CD1 3.99Å; V313-L317 WeakPolarHBondContact O-CD1 3.34Å; V313-L317 WeakPolarHBondContact O-CG 3.32Å; V313-L317 PolarHBondContact O-N 3.16Å
314L88.5Confident83.2Confident111 Ų11193.6 Ų93.658%0.58149%0.487SS*.Hα-helixtrans-62.4-42.5173.7-92.9101.1000112.4V310 R311 R312 L317 S318V310-L314 HydrophobicContact CG1-CD1 3.55Å; V310-L314 WeakPolarHBondContact O-CD1 3.45Å; V310-L314 PolarHBondContact O-N 3.09Å; R311-L314 PolarHBondContact O-N 3.22Å; R312-L314 VanDerWaalsContact C-N 3.34Å; R312-L314 PolarHBondContact O-N 3.44Å; L314-L317 PolarHBondContact O-N 2.9Å; L314-S318 WeakPolarHBondContact O-CB 3.36Å; L314-S318 PolarHBondContact O-N 3.38Å; L314-S318 PolarHBondContact O-OG 3.5Å
315K86.6Confident83.9Confident84 Ų8498 Ų9837%0.36551%0.508SS..Hα-helixtrans-61.3-48.5177.4-177.2174.1173.2177.50110.7D295 R311 R312 L317 S318 E319D295-K315 VanDerWaalsContact CG-NZ 3.26Å; D295-K315 IonicContact OD1-NZ 3.95Å; D295-K315 PolarHBondContact OD1-NZ 3.3Å; D295-K315 IonicContact OD2-NZ 2.71Å; D295-K315 PolarHBondContact OD2-NZ 2.92Å; D295-K315 VanDerWaalsContact OD2-NZ 3.14Å; R311-K315 WeakPolarHBondContact O-CB 3.39Å; R311-K315 PolarHBondContact O-N 2.91Å; R312-K315 PolarHBondContact O-N 3.42Å; K315-L317 PolarHBondContact O-N 3.41Å; K315-S318 PolarHBondContact O-N 3.16Å; K315-S318 VanDerWaalsContact O-N 3.13Å; K315-S318 PolarHBondContact O-OG 3.32Å; K315-E319 WeakPolarHBondContact CE-OE1 3.37Å; K315-E319 WeakPolarHBondContact CG-OE1 3.37Å; K315-E319 WeakPolarHBondContact O-CG 3.42Å; K315-E319 PolarHBondContact O-N 3.39Å
316Q83.7Confident83.9Confident118 Ų11898.7 Ų98.755%0.55152%0.521SS*.Hα-helixtrans-57.1-48.2177.2-176.9179.5-15.200112.1R312 V313 S318 E319 E320R312-Q316 WeakPolarHBondContact O-CB 3.37Å; R312-Q316 PolarHBondContact O-N 3.08Å; V313-Q316 PolarHBondContact O-N 2.82Å; Q316-S318 VanDerWaalsContact C-N 3.29Å; Q316-S318 PolarHBondContact O-N 3.45Å; Q316-E319 PolarHBondContact O-N 3.11Å; Q316-E320 WeakPolarHBondContact O-CB 3.17Å; Q316-E320 PolarHBondContact O-N 3.42Å
317L89Confident83.8Confident104 Ų10493.8 Ų93.855%0.54551%0.505SS..Hα-helixtrans-61.2-38177.2-75163.1000112.3V313 L314 K315 A321V313-L317 HydrophobicContact CG1-CD1 3.99Å; V313-L317 WeakPolarHBondContact O-CD1 3.34Å; V313-L317 WeakPolarHBondContact O-CG 3.32Å; V313-L317 PolarHBondContact O-N 3.16Å; L314-L317 PolarHBondContact O-N 2.9Å; K315-L317 PolarHBondContact O-N 3.41Å; L317-A321 WeakPolarHBondContact O-CB 3.47Å; L317-A321 PolarHBondContact O-N 3.43Å
318S87.5Confident83.1Confident72 Ų7291.2 Ų91.250%0.50351%0.511SS..Hα-helixtrans-71.1-37.7178.972.40000113L314 K315 Q316 A322L314-S318 WeakPolarHBondContact O-CB 3.36Å; L314-S318 PolarHBondContact O-N 3.38Å; L314-S318 PolarHBondContact O-OG 3.5Å; K315-S318 PolarHBondContact O-N 3.16Å; K315-S318 VanDerWaalsContact O-N 3.13Å; K315-S318 PolarHBondContact O-OG 3.32Å; Q316-S318 VanDerWaalsContact C-N 3.29Å; Q316-S318 PolarHBondContact O-N 3.45Å; S318-A322 PolarHBondContact O-N 2.9Å; S318-A322 VanDerWaalsContact O-N 3.1Å
319E86.1Confident82.3Confident100 Ų10096.6 Ų96.647%0.46753%0.529SS..Hα-helixtrans-70.5-40.1175.9-72.4175.6-172.900111.2K315 Q316 A322 L323K315-E319 WeakPolarHBondContact CE-OE1 3.37Å; K315-E319 WeakPolarHBondContact CG-OE1 3.37Å; K315-E319 WeakPolarHBondContact O-CG 3.42Å; K315-E319 PolarHBondContact O-N 3.39Å; Q316-E319 PolarHBondContact O-N 3.11Å; E319-A322 PolarHBondContact O-N 3.45Å; E319-L323 WeakPolarHBondContact O-CB 3.45Å; E319-L323 VanDerWaalsContact O-CG 3.3Å; E319-L323 WeakPolarHBondContact O-CG 3.44Å; E319-L323 PolarHBondContact O-N 3.13Å
320E82.6Confident81.3Confident102 Ų102100.5 Ų100.548%0.47755%0.545SS..Hα-helixtrans-60.7-46.4173.8-173.2174.1173.100111.2Q316 A322 L323 D324Q316-E320 WeakPolarHBondContact O-CB 3.17Å; Q316-E320 PolarHBondContact O-N 3.42Å; E320-A322 VanDerWaalsContact C-N 3.31Å; E320-A322 PolarHBondContact O-N 3.49Å; E320-L323 PolarHBondContact O-N 3.04Å; E320-D324 WeakPolarHBondContact O-CB 3.21Å; E320-D324 PolarHBondContact O-N 2.86Å
321A86.3Confident80Confident57 Ų57103.2 Ų103.247%0.47155%0.554SS.*Hα-helixtrans-60.2-39.6175.400000112.7L317 D324 E325L317-A321 WeakPolarHBondContact O-CB 3.47Å; L317-A321 PolarHBondContact O-N 3.43Å; A321-D324 PolarHBondContact O-N 3.37Å; A321-E325 PolarHBondContact O-N 3.03Å
322A86.9Confident78.7Confident55 Ų55101.9 Ų101.946%0.45556%0.563SS.*Hα-helixtrans-69.2-38.7176.900000112.3S318 E319 E320 A326S318-A322 PolarHBondContact O-N 2.9Å; S318-A322 VanDerWaalsContact O-N 3.1Å; E319-A322 PolarHBondContact O-N 3.45Å; E320-A322 VanDerWaalsContact C-N 3.31Å; E320-A322 PolarHBondContact O-N 3.49Å; A322-A326 VanDerWaalsContact O-CB 3.28Å; A322-A326 WeakPolarHBondContact O-CB 3.27Å; A322-A326 PolarHBondContact O-N 3.33Å
323L78.6Confident77.4Confident121 Ų121103.2 Ų103.263%0.63458%0.577SS**Hα-helixtrans-65.6-41.6174.5-74.1173000111.2E319 E320 A326 S327E319-L323 WeakPolarHBondContact O-CB 3.45Å; E319-L323 VanDerWaalsContact O-CG 3.3Å; E319-L323 WeakPolarHBondContact O-CG 3.44Å; E319-L323 PolarHBondContact O-N 3.13Å; E320-L323 PolarHBondContact O-N 3.04Å; L323-A326 PolarHBondContact O-N 3.39Å; L323-S327 WeakPolarHBondContact O-CB 3.5Å; L323-S327 PolarHBondContact O-N 3.16Å
324D80.8Confident75.5Confident94 Ų94107.2 Ų107.250%0.50359%0.59SS.*Hα-helixtrans-61.9-44.4176.1-82.3-0.1000111.5E320 A321 S327E320-D324 WeakPolarHBondContact O-CB 3.21Å; E320-D324 PolarHBondContact O-N 2.86Å; A321-D324 PolarHBondContact O-N 3.37Å; D324-S327 PolarHBondContact O-N 3.03Å; D324-S327 PolarHBondContact O-OG 3.11Å
325E83.6Confident73.6Confident154 Ų154109.8 Ų109.872%0.7260%0.599SS**Hα-helixtrans-62.4-44.2174.7-172.4176.8177.800111.9A321A321-E325 PolarHBondContact O-N 3.03Å
326A80.8Confident71.7Confident87 Ų87110.7 Ų110.772%0.71962%0.616SS**Hα-helixtrans-73.3-26.2-179.800000113.6A322 L323 G328A322-A326 VanDerWaalsContact O-CB 3.28Å; A322-A326 WeakPolarHBondContact O-CB 3.27Å; A322-A326 PolarHBondContact O-N 3.33Å; L323-A326 PolarHBondContact O-N 3.39Å; A326-G328 PolarHBondContact O-N 3.36Å
327S77.1Confident69.7Low63 Ų63107.2 Ų107.244%0.44161%0.612SS.*Hα-helixtrans-70.6-17.2-178.175.70000113.3L323 D324 Y329L323-S327 WeakPolarHBondContact O-CB 3.5Å; L323-S327 PolarHBondContact O-N 3.16Å; D324-S327 PolarHBondContact O-N 3.03Å; D324-S327 PolarHBondContact O-OG 3.11Å; S327-Y329 PolarHBondContact O-N 3.34Å; S327-Y329 VanDerWaalsContact O-N 3.16Å; S327-Y329 PolarHBondContact OG-N 3.49Å
328G68.1Low67.3Low67 Ų67108.8 Ų108.869%0.69163%0.628SS**SBendtrans68.64.5-178.500000114.5A326 N330A326-G328 PolarHBondContact O-N 3.36Å; G328-N330 VanDerWaalsContact C-N 3.3Å; G328-N330 PolarHBondContact O-N 2.99Å
329Y62.5Low64.9Low200 Ų200116.3 Ų116.378%0.78465%0.645SS**  trans-96.141.2174-89.4-90.4000111.6S327 I331S327-Y329 PolarHBondContact O-N 3.34Å; S327-Y329 VanDerWaalsContact O-N 3.16Å; S327-Y329 PolarHBondContact OG-N 3.49Å; Y329-I331 VanDerWaalsContact C-N 3.33Å; Y329-I331 PolarHBondContact O-N 2.97Å
330N61Low62.6Low120 Ų120118.9 Ų118.964%0.64266%0.662SS**  trans-73.392.5172.4-150.1-25.3000107.7G328 P332G328-N330 VanDerWaalsContact C-N 3.3Å; G328-N330 PolarHBondContact O-N 2.99Å; N330-P332 WeakPolarHBondContact O-CD 3.47Å; N330-P332 VanDerWaalsContact O-N 3.12Å
331I59.1Low60.5Low140 Ų140123.4 Ų123.472%0.71868%0.675SS**  trans-61.7113.9169.9-60.2174.8000105Y329 I333Y329-I331 VanDerWaalsContact C-N 3.33Å; Y329-I331 PolarHBondContact O-N 2.97Å; I331-I333 PolarHBondContact O-N 3.43Å
332P54.6Low58.2Low101 Ų101128.8 Ų128.866%0.65669%0.691SS**  trans-55.3125175.5-20.832.8000107N330 E334N330-P332 WeakPolarHBondContact O-CD 3.47Å; N330-P332 VanDerWaalsContact O-N 3.12Å; P332-E334 PolarHBondContact O-N 3.48Å
333I56.3Low55.7Low139 Ų139134 Ų13471%0.71370%0.703SS**  trans-55.5101.8160.7-81.5167.5000104.8I331 H335I331-I333 PolarHBondContact O-N 3.43Å; I333-H335 PolarHBondContact O-N 3.33Å
334E46.4Very low53.5Low162 Ų162137.9 Ų137.976%0.75772%0.715SS**  trans-55.596.7163.9-80.6-92.5145.400104.3P332 S336P332-E334 PolarHBondContact O-N 3.48Å; E334-S336 PolarHBondContact O-N 3.42Å
335H47.3Very low51.2Low166 Ų166143.1 Ų143.177%0.76973%0.733SS**  trans-67.362.3160.5-77.3-78.8000107.8I333 G337I333-H335 PolarHBondContact O-N 3.33Å; H335-G337 PolarHBondContact O-N 2.87Å
336S47.2Very low48.7Very low103 Ų103142.4 Ų142.472%0.7274%0.739SS**  trans-79.257.4160.155.10000108.4E334E334-S336 PolarHBondContact O-N 3.42Å
337G40.9Very low46.2Very low45 Ų45143.3 Ų143.346%0.46474%0.741SS.*SBendtrans-96.9137.9154.600000107.6H335 R339H335-G337 PolarHBondContact O-N 2.87Å; G337-R339 PolarHBondContact O-N 2.96Å
338P40.2Very low44.1Very low137 Ų137150.4 Ų150.489%0.8976%0.764SS**  trans-63.597.5-177.124.7-31.8000110.5N340P338-N340 PolarHBondContact O-N 3.35Å
339R36.4Very low42.3Very low229 Ų229156.7 Ų156.786%0.86477%0.772SS**  trans-7198.3169.2-83.6175.271.9-165.76.8108.6G337 R341G337-R339 PolarHBondContact O-N 2.96Å; R339-R341 PolarHBondContact O-N 3.39Å
340N37.4Very low41.1Very low154 Ų154152.2 Ų152.282%0.82477%0.767SS**  trans-58100.6169.2-145.6-16.5000109.1P338 E342P338-N340 PolarHBondContact O-N 3.35Å; N340-E342 PolarHBondContact O-N 3.19Å
341R39.9Very low39.6Very low197 Ų197152.4 Ų152.474%0.74377%0.773SS**  trans-8491.3171.1-75.6177.590.4176.79.4108.3R339 K343R339-R341 PolarHBondContact O-N 3.39Å; R341-K343 PolarHBondContact O-N 3.07Å; R341-K343 VanDerWaalsContact O-N 3.09Å
342E36.3Very low38.4Very low171 Ų171151.8 Ų151.880%0.79978%0.778SS**  trans-66.8104.2161.1-83.4-171.9111.200109.5N340N340-E342 PolarHBondContact O-N 3.19Å
343K35.2Very low37.2Very low165 Ų165151.3 Ų151.372%0.71778%0.782SS**  trans-117.4100.7156.1-77-171.6176.1-176.30108.4R341 K345R341-K343 PolarHBondContact O-N 3.07Å; R341-K343 VanDerWaalsContact O-N 3.09Å; K343-K345 PolarHBondContact O-N 2.99Å
344K33.2Very low36.3Very low202 Ų202150 Ų15088%0.87878%0.783SS**  trans-52118.5165.4-82.6174.9174.1170.30109.8
345K31.5Very low35.5Very low203 Ų203147.9 Ų147.988%0.88378%0.781SS**  trans-123.6134.2153.8-77.6-169.6178.7-177.10109K343K343-K345 PolarHBondContact O-N 2.99Å
346T30.5Very low34.6Very low139 Ų139144.1 Ų144.185%0.85377%0.773SS**  trans-71.4137-172.147.70000112.9
347S28.9Very low33.6Very low107 Ų107150.7 Ų150.775%0.74878%0.783SS**  trans-8.5134.3161.3-51.40000119.9
348K32.6Very low33.1Very low212 Ų212154.9 Ų154.992%0.92280%0.8SS**  -177.3136.2102.6-90.6166-174.1-1780112.5
349K30.7Very low33Very low199 Ų199153.8 Ų153.887%0.86580%0.795SS**  trans-58.6-179.7177-114.6179.7173.3177.40114.6
350P37.6Very low33.2Very low106 Ų106148.7 Ų148.769%0.68879%0.792SS**  cis-136.9170.3-7.628.5-4.5000117.4
351T28.9Very low32.7Very low123 Ų123146 Ų14676%0.75579%0.791SS**  trans-45.9163.9162.149.50000116.4
352P33.5Very low32.2Very low127 Ų127141.3 Ų141.383%0.82579%0.794SS**  -138.4152.372.931.3-10.5000117.1
353A30.5Very low32Very low91 Ų91138.3 Ų138.375%0.75280%0.799SS**  trans-71.9179166.700000111
354P38.3Very low32Very low111 Ų111134.3 Ų134.372%0.72180%0.796SS**  -141.3-179.951.239.6-17000112.4
355T27.6Very low32.2Very low119 Ų119134 Ų13473%0.7380%0.797SS**  cis-175.813846.6-0.60000110.4
356S30.2Very low32.2Very low86 Ų86131.9 Ų131.960%0.60179%0.791SS**  trans43.4112.6135.362.60000120.4
357W25.9Very low32.5Very low242 Ų242130.7 Ų130.792%0.91779%0.785SS**  8411785.6-71.65.5000113.6
358T29.4Very low32.7Very low133 Ų133130.9 Ų130.982%0.81679%0.787SS**  162.3124.8103.946.50000110.1
359S38.4Very low33Very low114 Ų114128.5 Ų128.580%0.79778%0.784SS**  trans-89.6160.4151.3-48.90000107.2
360P40.4Very low33.3Very low122 Ų122122.8 Ų122.879%0.79277%0.769SS**  -153.4172.557.638.4-15.4000118.1
361A28Very low33.7Very low97 Ų97124.6 Ų124.680%0.80277%0.773SS**  trans70.3105.6146.300000120.2
362A29.1Very low34.4Very low98 Ų98124.5 Ų124.581%0.8177%0.768SS**  -171.395.9118.700000108.2A364A362-A364 PolarHBondContact O-N 3.27Å
363A31.3Very low35.6Very low109 Ų109126.1 Ų126.190%0.90176%0.764SS**  trans-72.394.5170.700000108.6
364A34.6Very low37.3Very low80 Ų80125.2 Ų125.266%0.66175%0.745SS**  trans-78.1126.3151.900000107A362 E366A362-A364 PolarHBondContact O-N 3.27Å; A364-E366 PolarHBondContact O-N 3.43Å
365H37.4Very low38.9Very low195 Ų195124.2 Ų124.290%0.90373%0.733SS**  trans-62.198170.4-113-92.4000108.7
366E31.8Very low41.6Very low160 Ų160121 Ų12175%0.74871%0.714SS**  trans-84.1128.9159.5-75.6-71.9128.300107.4A364 S368A364-E366 PolarHBondContact O-N 3.43Å; E366-S368 PolarHBondContact O-N 2.99Å; E366-S368 VanDerWaalsContact O-N 3.12Å
367P37.7Very low44.3Very low114 Ų114122.4 Ų122.474%0.7471%0.706SS**  trans-67.8113.9172.627.6-29.8000108.4D369P367-D369 PolarHBondContact O-N 3.49Å; P367-D369 VanDerWaalsContact O-N 3.14Å
368S32.5Very low47.3Very low111 Ų111110.9 Ų110.978%0.77666%0.663SS**  trans-53.9114.2170.7-169.20000109.5E366 S370E366-S368 PolarHBondContact O-N 2.99Å; E366-S368 VanDerWaalsContact O-N 3.12Å; S368-S370 PolarHBondContact O-N 3.38Å
369D38.9Very low49.9Very low161 Ų161107.6 Ų107.686%0.86164%0.644SS**  trans-68.378.2168.1-163.426.9000108.1P367P367-D369 PolarHBondContact O-N 3.49Å; P367-D369 VanDerWaalsContact O-N 3.14Å
370S37.5Very low52.2Low79 Ų79106.9 Ų106.955%0.55263%0.63SS**  trans-93.5100.6167.8-154.50000107S368 D372S368-S370 PolarHBondContact O-N 3.38Å; S370-D372 PolarHBondContact O-N 2.89Å; S370-D372 PolarHBondContact OG-OD2 3.35Å
371D45.5Very low54.5Low144 Ų144103.2 Ų103.277%0.7761%0.607SS**  trans-74.449177.3-162.923.4000110.8
372D43.3Very low57.2Low122 Ų122104.1 Ų104.165%0.65260%0.598SS**  trans-78.9120.1167.2-68.2-72000107.4S370 E374S370-D372 PolarHBondContact O-N 2.89Å; S370-D372 PolarHBondContact OG-OD2 3.35Å; D372-E374 PolarHBondContact O-N 3.12Å
373E58.7Low59.8Low160 Ų160105.3 Ų105.375%0.74859%0.587SS**  trans-52.184.4-168.6-78.392.2175.600115.2L375E373-L375 PolarHBondContact O-N 2.98Å
374E66.7Low62.3Low72 Ų72106.7 Ų106.734%0.33658%0.58SS.*  trans-65.6104.5170.3-169.5-167.4-163.300109.2D372 R388 L396 Y419D372-E374 PolarHBondContact O-N 3.12Å; E374-R388 IonicContact OE1-CZ 3.63Å; E374-R388 IonicContact OE1-NE 2.98Å; E374-R388 PolarHBondContact OE1-NE 3.42Å; E374-R388 IonicContact OE1-NH2 2.62Å; E374-R388 PolarHBondContact OE1-NH2 3.32Å; E374-R388 IonicContact OE2-CZ 2.8Å; E374-R388 IonicContact OE2-NH2 3.86Å; E374-R388 PolarHBondContact OE2-NH2 3.23Å; E374-L396 HydrophobicContact CG-CD1 3.61Å; E374-L396 HydrophobicContact CG-CG 4.23Å; E374-L396 WeakPolarHBondContact OE1-CD1 3.46Å; E374-L396 WeakPolarHBondContact OE1-CD2 3.23Å; E374-L396 WeakPolarHBondContact OE1-CG 3.45Å; E374-Y419 VanDerWaalsContact OE2-CE2 3.23Å; E374-Y419 WeakPolarHBondContact OE2-CE2 3.39Å
375L71.4Confident64.8Low91 Ų91103.4 Ų103.448%0.47655%0.552SS.*  trans-66.2124.5-175.2-62.7168.4000110E373 W377 L396E373-L375 PolarHBondContact O-N 2.98Å; L375-W377 HydrophobicContact CB-CD2 4.1Å; L375-W377 HydrophobicContact CB-CG 4.34Å; L375-W377 HydrophobicContact CB-CZ2 3.92Å; L375-W377 HydrophobicContact CD1-CZ2 3.75Å; L375-W377 HydrophobicContact CD2-CH2 3.93Å; L375-W377 HydrophobicContact CD2-CZ2 3.52Å; L375-W377 HydrophobicContact CG-CZ2 3.91Å; L375-W377 PolarHBondContact O-N 3.24Å; L375-L396 WeakPolarHBondContact O-CD1 3.37Å
376P84.3Confident67.2Low52 Ų5296.8 Ų96.834%0.33853%0.526SS..SBendtrans-73.917.3-168.331.2-37.6000114.6A385 Y419 A421P376-A385 PolarHBondContact O-N 2.97Å; P376-A385 VanDerWaalsContact O-N 3.1Å; P376-Y419 HydrophobicContact CB-CE1 4.44Å; P376-A421 HydrophobicContact CB-CB 3.78Å
377W86.9Confident69.9Low115 Ų11591 Ų9144%0.43650%0.5SS..BIsolated β-bridgetrans-117.4155.4-175.450.560.3000112.3L375 C379 Q383L375-W377 HydrophobicContact CB-CD2 4.1Å; L375-W377 HydrophobicContact CB-CG 4.34Å; L375-W377 HydrophobicContact CB-CZ2 3.92Å; L375-W377 HydrophobicContact CD1-CZ2 3.75Å; L375-W377 HydrophobicContact CD2-CH2 3.93Å; L375-W377 HydrophobicContact CD2-CZ2 3.52Å; L375-W377 HydrophobicContact CG-CZ2 3.91Å; L375-W377 PolarHBondContact O-N 3.24Å; W377-C379 PolarHBondContact O-N 3.18Å; W377-Q383 CarbonylContact C-O 3.57Å; W377-Q383 WeakPolarHBondContact CA-O 3.38Å
378C89.5Confident72.4Confident0 Ų089.3 Ų89.30%048%0.479CS..  trans-64.3125.5175.2175.80000110I380 C381 N382 Q383 L396 C398C378-I380 PolarHBondContact O-N 3.02Å; C378-I380 VanDerWaalsContact O-N 3.08Å; C378-C381 PolarHBondContact O-N 2.92Å; C378-C381 VanDerWaalsContact SG-SG 3.66Å; C378-N382 WeakPolarHBondContact O-CA 3.43Å; C378-N382 PolarHBondContact O-N 3Å; C378-Q383 WeakPolarHBondContact CB-O 3.29Å; C378-Q383 PolarHBondContact N-O 3.2Å; C378-L396 CarbonylContact C-O 3.15Å; C378-L396 VanDerWaalsContact CA-O 3.26Å; C378-L396 WeakPolarHBondContact CA-O 3.21Å; C378-C398 HydrophobicContact CB-CB 3.87Å; C378-C398 VanDerWaalsContact CB-N 3.3Å; C378-C398 PolarHBondContact SG-N 2.97Å
379C83.8Confident75Confident64 Ų6484 Ų8443%0.43244%0.442SS..THydrogen-bonded Turntrans-63.2-15.9-179.261.90000114.6W377 L396 Y397W377-C379 PolarHBondContact O-N 3.18Å; C379-L396 PolarHBondContact N-O 3.46Å; C379-L396 PolarHBondContact SG-O 2.8Å; C379-Y397 WeakPolarHBondContact SG-CE1 3.16Å
380I86.6Confident77.1Confident98 Ų9880.7 Ų80.750%0.50342%0.421SS..THydrogen-bonded Turntrans-92.9-38179.9-63.7176.2000112.5C378 Y397 C401C378-I380 PolarHBondContact O-N 3.02Å; C378-I380 VanDerWaalsContact O-N 3.08Å; I380-Y397 HydrophobicContact CD1-CD1 3.76Å; I380-Y397 HydrophobicContact CD1-CE1 3.61Å; I380-Y397 HydrophobicContact CG1-CD1 4.14Å; I380-Y397 HydrophobicContact CG1-CE1 3.97Å; I380-C401 HydrophobicContact CB-CB 3.81Å; I380-C401 HydrophobicContact CD1-CB 3.83Å; I380-C401 HydrophobicContact CG1-CB 4.31Å; I380-C401 HydrophobicContact CG2-CB 4Å
381C88.8Confident79.1Confident45 Ų4580 Ų8030%0.30441%0.413SS..THydrogen-bonded Turntrans-130.92.9-169.268.80000115C378 Q383 C401C378-C381 PolarHBondContact O-N 2.92Å; C378-C381 VanDerWaalsContact SG-SG 3.66Å; C381-Q383 HydrophobicContact CB-CG 4.48Å; C381-Q383 PolarHBondContact O-N 2.9Å; C381-C401 PolarHBondContact SG-SG 3.29Å
382N84.6Confident80.8Confident116 Ų11674 Ų7462%0.6238%0.383SS*.  trans55.413.4-178.2-58.7-14.2000115.1C378C378-N382 WeakPolarHBondContact O-CA 3.43Å; C378-N382 PolarHBondContact O-N 3Å
383Q83.3Confident82.6Confident123 Ų12376 Ų7658%0.57539%0.393SS*.SBendtrans-80.7163.4170.2-62.5-179.1-1.900110.4W377 C378 C381 A385W377-Q383 CarbonylContact C-O 3.57Å; W377-Q383 WeakPolarHBondContact CA-O 3.38Å; C378-Q383 WeakPolarHBondContact CB-O 3.29Å; C378-Q383 PolarHBondContact N-O 3.2Å; C381-Q383 HydrophobicContact CB-CG 4.48Å; C381-Q383 PolarHBondContact O-N 2.9Å; Q383-A385 PolarHBondContact O-N 2.9Å
384N84.3Confident83.6Confident139 Ų13969.4 Ų69.474%0.74337%0.368SS*.BIsolated β-bridgetrans-49.8126.4179.9-63.3-50.8000112.4
385A88.2Confident84.6Confident10 Ų1069.4 Ų69.48%0.08337%0.37CS..PPolyproline II helixtrans-72.9141.1174.500000110.7P376 Q383 L396 Y419P376-A385 PolarHBondContact O-N 2.97Å; P376-A385 VanDerWaalsContact O-N 3.1Å; Q383-A385 PolarHBondContact O-N 2.9Å; A385-L396 HydrophobicContact CB-CB 3.63Å; A385-L396 HydrophobicContact CB-CD1 4.12Å; A385-L396 HydrophobicContact CB-CD2 4.25Å; A385-L396 HydrophobicContact CB-CG 4.23Å; A385-Y419 HydrophobicContact CB-CD1 4Å; A385-Y419 HydrophobicContact CB-CE1 4.39Å
386T87.8Confident85.4Confident57 Ų5765.5 Ų65.535%0.3535%0.35SS..  trans-121.5-17.818054.10000112.5Y397 S399 Y419T386-Y397 PolarHBondContact N-O 2.73Å; T386-Y397 PolarHBondContact OG1-O 3.14Å; T386-S399 PolarHBondContact OG1-N 2.91Å; T386-S399 VanDerWaalsContact OG1-N 3.12Å; T386-S399 PolarHBondContact OG1-OG 3.47Å; T386-Y419 PolarHBondContact O-N 3.41Å
387L88.2Confident85.7Confident39 Ų3963.9 Ų63.920%0.20434%0.337CS..EExtended strand (participates in β ladder)trans-140.3141.6-171.9-62.1162.6000108.5Y397 F402 S417L387-Y397 PolarHBondContact N-O 2.9Å; L387-Y397 VanDerWaalsContact N-O 3.09Å; L387-Y397 PolarHBondContact O-N 3.43Å; L387-F402 HydrophobicContact CD1-CB 4.42Å; L387-F402 HydrophobicContact CD1-CD1 4.36Å; L387-F402 HydrophobicContact CD1-CG 4.49Å; L387-S417 CarbonylContact C-O 3.6Å; L387-S417 WeakPolarHBondContact CA-O 3.28Å
388R88.8Confident85.8Confident78 Ų7858.8 Ų58.829%0.29432%0.319SS..EExtended strand (participates in β ladder)trans-107.1131.7167.9-167.2-173.8-76.6-176.39.6108.8E374 G394 D395 L396 T416 S417E374-R388 IonicContact OE1-CZ 3.63Å; E374-R388 IonicContact OE1-NE 2.98Å; E374-R388 PolarHBondContact OE1-NE 3.42Å; E374-R388 IonicContact OE1-NH2 2.62Å; E374-R388 PolarHBondContact OE1-NH2 3.32Å; E374-R388 IonicContact OE2-CZ 2.8Å; E374-R388 IonicContact OE2-NH2 3.86Å; E374-R388 PolarHBondContact OE2-NH2 3.23Å; R388-G394 WeakPolarHBondContact CD-O 3.49Å; R388-G394 WeakPolarHBondContact CG-O 3.42Å; R388-D395 WeakPolarHBondContact CA-O 3.37Å; R388-L396 HydrophobicContact CB-CD2 3.84Å; R388-L396 HydrophobicContact CG-CD2 4Å; R388-T416 CarbonylContact O-C 3.52Å; R388-T416 WeakPolarHBondContact O-CA 3.13Å; R388-T416 WeakPolarHBondContact O-CB 3.21Å; R388-S417 PolarHBondContact N-O 3.46Å; R388-S417 PolarHBondContact O-N 3.43Å
389C88.3Confident85.6Confident0 Ų062 Ų620%034%0.341CS..EExtended strand (participates in β ladder)trans-100.8113.2176.1-171.80000110.5T391 C392 G394 D395 Y397 F402 T416C389-T391 VanDerWaalsContact C-N 3.3Å; C389-T391 PolarHBondContact O-N 2.82Å; C389-T391 PolarHBondContact SG-OG1 3.12Å; C389-C392 HydrophobicContact CB-CB 4.02Å; C389-C392 PolarHBondContact O-N 3.46Å; C389-G394 CarbonylContact O-C 3.45Å; C389-G394 WeakPolarHBondContact O-CA 3.13Å; C389-G394 PolarHBondContact O-N 3.43Å; C389-D395 PolarHBondContact N-O 3.12Å; C389-D395 PolarHBondContact O-N 3.02Å; C389-Y397 HydrophobicContact CB-CD2 4Å; C389-Y397 HydrophobicContact CB-CE2 3.75Å; C389-F402 HydrophobicContact CB-CD2 4.49Å; C389-F402 HydrophobicContact CB-CE2 3.94Å; C389-T416 HydrophobicContact CB-CG2 4.09Å
390H83.6Confident85.7Confident90 Ų9067.2 Ų67.242%0.41735%0.352SS..THydrogen-bonded Turntrans-77.1-15.3-176.7-68.1-74.7000114.1H415 S417H390-H415 HydrophobicContact CB-CB 4.5Å; H390-H415 AromaticContact CD2-CD2 3.63Å; H390-H415 PolarHBondContact N-O 2.98Å; H390-S417 VanDerWaalsContact NE2-CB 3.35Å; H390-S417 WeakPolarHBondContact NE2-CB 3.39Å; H390-S417 PolarHBondContact NE2-OG 3.14Å
391T79.4Confident85.7Confident65 Ų6563.1 Ų63.140%0.39933%0.332SS..THydrogen-bonded Turntrans-97.7-8.6177.155.20000113C389 E413 H414 H415C389-T391 VanDerWaalsContact C-N 3.3Å; C389-T391 PolarHBondContact O-N 2.82Å; C389-T391 PolarHBondContact SG-OG1 3.12Å; T391-E413 WeakPolarHBondContact CG2-O 3.3Å; T391-H414 WeakPolarHBondContact OG1-CA 3.37Å; T391-H414 VanDerWaalsContact OG1-CB 3.22Å; T391-H414 WeakPolarHBondContact OG1-CB 3.45Å; T391-H414 PolarHBondContact OG1-ND1 3.35Å; T391-H415 HydrophobicContact CG2-CB 4.33Å
392C79.7Confident85.5Confident19 Ų1961.8 Ų61.813%0.12832%0.321CS..THydrogen-bonded Turntrans-10954.1167.7-590000108.2C389 G394 D395 Y397 H406 H414C389-C392 HydrophobicContact CB-CB 4.02Å; C389-C392 PolarHBondContact O-N 3.46Å; C392-G394 PolarHBondContact O-N 2.99Å; C392-D395 HydrophobicContact CB-CB 4.43Å; C392-D395 VanDerWaalsContact O-CB 3.26Å; C392-D395 WeakPolarHBondContact O-CB 3.5Å; C392-D395 PolarHBondContact O-N 2.71Å; C392-Y397 HydrophobicContact CB-CE2 4.34Å; C392-H406 PolarHBondContact SG-CE1 3.25Å; C392-H414 PolarHBondContact SG-CE1 3.26Å; C392-H414 PolarHBondContact SG-ND1 2.72Å
393D81Confident85.3Confident163 Ų16364.2 Ų64.287%0.87232%0.321SS*.THydrogen-bonded Turntrans53.723.5175.3-59-33.5000116.5
394G79.6Confident85.3Confident21 Ų2165.1 Ų65.122%0.21633%0.326CS..THydrogen-bonded Turntrans82.616.8-178.400000114.1R388 C389 C392R388-G394 WeakPolarHBondContact CD-O 3.49Å; R388-G394 WeakPolarHBondContact CG-O 3.42Å; C389-G394 CarbonylContact O-C 3.45Å; C389-G394 WeakPolarHBondContact O-CA 3.13Å; C389-G394 PolarHBondContact O-N 3.43Å; C392-G394 PolarHBondContact O-N 2.99Å
395D87.8Confident84.8Confident72 Ų7260.8 Ų60.839%0.38531%0.314SS..EExtended strand (participates in β ladder)trans-62.8145.7-179.2-82.8-13.2000113.3R388 C389 C392 Y397R388-D395 WeakPolarHBondContact CA-O 3.37Å; C389-D395 PolarHBondContact N-O 3.12Å; C389-D395 PolarHBondContact O-N 3.02Å; C392-D395 HydrophobicContact CB-CB 4.43Å; C392-D395 VanDerWaalsContact O-CB 3.26Å; C392-D395 WeakPolarHBondContact O-CB 3.5Å; C392-D395 PolarHBondContact O-N 2.71Å; D395-Y397 HydrophobicContact CB-CD2 4.29Å; D395-Y397 HydrophobicContact CB-CE2 3.42Å; D395-Y397 VanDerWaalsContact CB-CE2 3.42Å; D395-Y397 WeakPolarHBondContact O-CD2 3.22Å; D395-Y397 WeakPolarHBondContact O-CE2 3.27Å; D395-Y397 PolarHBondContact OD2-OH 2.77Å
396L89.8Confident84Confident10 Ų1061.1 Ų61.15%0.05231%0.314CS..EExtended strand (participates in β ladder)trans-94.3129.5-179.4-74.5-175.5000111.9E374 L375 C378 C379 A385 R388 Y419E374-L396 HydrophobicContact CG-CD1 3.61Å; E374-L396 HydrophobicContact CG-CG 4.23Å; E374-L396 WeakPolarHBondContact OE1-CD1 3.46Å; E374-L396 WeakPolarHBondContact OE1-CD2 3.23Å; E374-L396 WeakPolarHBondContact OE1-CG 3.45Å; L375-L396 WeakPolarHBondContact O-CD1 3.37Å; C378-L396 CarbonylContact C-O 3.15Å; C378-L396 VanDerWaalsContact CA-O 3.26Å; C378-L396 WeakPolarHBondContact CA-O 3.21Å; C379-L396 PolarHBondContact N-O 3.46Å; C379-L396 PolarHBondContact SG-O 2.8Å; A385-L396 HydrophobicContact CB-CB 3.63Å; A385-L396 HydrophobicContact CB-CD1 4.12Å; A385-L396 HydrophobicContact CB-CD2 4.25Å; A385-L396 HydrophobicContact CB-CG 4.23Å; R388-L396 HydrophobicContact CB-CD2 3.84Å; R388-L396 HydrophobicContact CG-CD2 4Å; L396-Y419 HydrophobicContact CD1-CD1 4.06Å; L396-Y419 HydrophobicContact CD1-CD2 4.4Å; L396-Y419 HydrophobicContact CD1-CE1 3.68Å; L396-Y419 HydrophobicContact CD1-CE2 4.05Å; L396-Y419 HydrophobicContact CD1-CG 4.38Å; L396-Y419 HydrophobicContact CD2-CD1 3.74Å; L396-Y419 HydrophobicContact CD2-CD2 3.59Å; L396-Y419 HydrophobicContact CD2-CE1 4.19Å; L396-Y419 HydrophobicContact CD2-CE2 4.05Å; L396-Y419 HydrophobicContact CD2-CG 3.39Å
397Y88.9Confident82.8Confident18 Ų1862 Ų627%0.07132%0.316CS..EExtended strand (participates in β ladder)trans-131.5149.7-178.8-60-87.6000112.7C379 I380 T386 L387 C389 C392 D395 F402C379-Y397 WeakPolarHBondContact SG-CE1 3.16Å; I380-Y397 HydrophobicContact CD1-CD1 3.76Å; I380-Y397 HydrophobicContact CD1-CE1 3.61Å; I380-Y397 HydrophobicContact CG1-CD1 4.14Å; I380-Y397 HydrophobicContact CG1-CE1 3.97Å; T386-Y397 PolarHBondContact N-O 2.73Å; T386-Y397 PolarHBondContact OG1-O 3.14Å; L387-Y397 PolarHBondContact N-O 2.9Å; L387-Y397 VanDerWaalsContact N-O 3.09Å; L387-Y397 PolarHBondContact O-N 3.43Å; C389-Y397 HydrophobicContact CB-CD2 4Å; C389-Y397 HydrophobicContact CB-CE2 3.75Å; C392-Y397 HydrophobicContact CB-CE2 4.34Å; D395-Y397 HydrophobicContact CB-CD2 4.29Å; D395-Y397 HydrophobicContact CB-CE2 3.42Å; D395-Y397 VanDerWaalsContact CB-CE2 3.42Å; D395-Y397 WeakPolarHBondContact O-CD2 3.22Å; D395-Y397 WeakPolarHBondContact O-CE2 3.27Å; D395-Y397 PolarHBondContact OD2-OH 2.77Å; Y397-F402 AromaticContact CD2-CD2 3.97Å; Y397-F402 HydrophobicContact CD2-CD2 3.97Å; Y397-F402 HydrophobicContact CG-CB 4.32Å; Y397-F402 HydrophobicContact CG-CD2 4.14Å
398C90.4Very high81.4Confident8 Ų865.6 Ų65.65%0.05433%0.33CS..  trans-79.4153.216181.30000108.7C378 R400 C401 F402C378-C398 HydrophobicContact CB-CB 3.87Å; C378-C398 VanDerWaalsContact CB-N 3.3Å; C378-C398 PolarHBondContact SG-N 2.97Å; C398-R400 PolarHBondContact O-N 2.92Å; C398-C401 PolarHBondContact O-N 2.97Å; C398-C401 PolarHBondContact SG-N 3.09Å; C398-C401 PolarHBondContact SG-SG 3.35Å; C398-F402 PolarHBondContact O-N 2.96Å
399S84.3Confident79.8Confident66 Ų6670.1 Ų70.146%0.46235%0.348SS..Hα-helixtrans-59.3-23.1-176.5-52.40000113.8T386 R403T386-S399 PolarHBondContact OG1-N 2.91Å; T386-S399 VanDerWaalsContact OG1-N 3.12Å; T386-S399 PolarHBondContact OG1-OG 3.47Å; S399-R403 WeakPolarHBondContact O-CB 3.47Å
400R86.2Confident78.5Confident174 Ų17473.4 Ų73.466%0.65737%0.366SS*.Hα-helixtrans-77.1-53.2177.6-177.6177.9174.2177.7-2.8111.4C398 F402 R403 E404C398-R400 PolarHBondContact O-N 2.92Å; R400-F402 PolarHBondContact O-N 3.35Å; R400-R403 PolarHBondContact O-N 3.17Å; R400-E404 IonicContact NE-OE2 2.73Å; R400-E404 WeakPolarHBondContact O-CB 3.49Å; R400-E404 PolarHBondContact O-N 3.02Å
401C86.1Confident77.5Confident12 Ų1274.3 Ų74.38%0.08137%0.366CS..Hα-helixtrans-66.4-37.2-178.5-67.70000111.9I380 C381 C398 R403 E404 G405I380-C401 HydrophobicContact CB-CB 3.81Å; I380-C401 HydrophobicContact CD1-CB 3.83Å; I380-C401 HydrophobicContact CG1-CB 4.31Å; I380-C401 HydrophobicContact CG2-CB 4Å; C381-C401 PolarHBondContact SG-SG 3.29Å; C398-C401 PolarHBondContact O-N 2.97Å; C398-C401 PolarHBondContact SG-N 3.09Å; C398-C401 PolarHBondContact SG-SG 3.35Å; C401-R403 VanDerWaalsContact C-N 3.28Å; C401-R403 PolarHBondContact O-N 3.05Å; C401-E404 PolarHBondContact O-N 3.12Å; C401-G405 PolarHBondContact O-N 3.2Å
402F84.8Confident76.6Confident17 Ų1780.3 Ų80.38%0.07539%0.386CS..Hα-helixtrans-59.8-40173.3-173.7-103.7000111.9L387 C389 Y397 C398 R400 H406 R411 H414 T416L387-F402 HydrophobicContact CD1-CB 4.42Å; L387-F402 HydrophobicContact CD1-CD1 4.36Å; L387-F402 HydrophobicContact CD1-CG 4.49Å; C389-F402 HydrophobicContact CB-CD2 4.49Å; C389-F402 HydrophobicContact CB-CE2 3.94Å; Y397-F402 AromaticContact CD2-CD2 3.97Å; Y397-F402 HydrophobicContact CD2-CD2 3.97Å; Y397-F402 HydrophobicContact CG-CB 4.32Å; Y397-F402 HydrophobicContact CG-CD2 4.14Å; C398-F402 PolarHBondContact O-N 2.96Å; R400-F402 PolarHBondContact O-N 3.35Å; F402-H406 AromaticContact CD2-CD2 3.27Å; F402-H406 WeakPolarHBondContact CD2-CD2 3.5Å; F402-H406 AromaticContact CD2-NE2 3.85Å; F402-H406 HydrophobicContact CE2-CB 4.37Å; F402-H406 AromaticContact CE2-CD2 3.26Å; F402-H406 WeakPolarHBondContact CE2-CD2 3.27Å; F402-H406 AromaticContact CE2-CG 3.79Å; F402-H406 AromaticContact CE2-NE2 3.76Å; F402-H406 HydrophobicContact CZ-CB 4.29Å; F402-H406 VanDerWaalsContact O-CB 3.23Å; F402-H406 WeakPolarHBondContact O-CB 3.39Å; F402-H406 PolarHBondContact O-CD2 2.97Å; F402-H406 PolarHBondContact O-N 3.34Å; F402-R411 HydrophobicContact CE1-CG 4.21Å; F402-H414 HydrophobicContact CZ-CB 4.31Å; F402-T416 HydrophobicContact CD1-CG2 4.47Å; F402-T416 HydrophobicContact CD2-CG2 4.26Å; F402-T416 HydrophobicContact CE1-CG2 3.73Å; F402-T416 HydrophobicContact CE2-CG2 3.48Å; F402-T416 VanDerWaalsContact CE2-CG2 3.48Å; F402-T416 HydrophobicContact CZ-CG2 3.19Å
403R81.7Confident76.1Confident167 Ų16786.6 Ų86.663%0.6341%0.414SS*.Hα-helixtrans-79.8-20.3-178.5-167.9169.765.9-165.40113.9S399 R400 C401S399-R403 WeakPolarHBondContact O-CB 3.47Å; R400-R403 PolarHBondContact O-N 3.17Å; C401-R403 VanDerWaalsContact C-N 3.28Å; C401-R403 PolarHBondContact O-N 3.05Å
404E82.8Confident76Confident142 Ų14280.8 Ų80.866%0.66438%0.381SS*.Hα-helixtrans-89-36.5178.1-169.4164.2-178.100111.3R400 C401R400-E404 IonicContact NE-OE2 2.73Å; R400-E404 WeakPolarHBondContact O-CB 3.49Å; R400-E404 PolarHBondContact O-N 3.02Å; C401-E404 PolarHBondContact O-N 3.12Å
405G72.6Confident76.1Confident48 Ų4885.8 Ų85.850%0.49540%0.399SS..Hα-helixtrans-87.4-23.7176.900000115C401C401-G405 PolarHBondContact O-N 3.2Å
406H73.2Confident76.1Confident18 Ų1884.7 Ų84.78%0.08340%0.395CS..SBendtrans-113.499173.3-57.8-77.9000109.6C392 F402 D410 R411 H414C392-H406 PolarHBondContact SG-CE1 3.25Å; F402-H406 AromaticContact CD2-CD2 3.27Å; F402-H406 WeakPolarHBondContact CD2-CD2 3.5Å; F402-H406 AromaticContact CD2-NE2 3.85Å; F402-H406 HydrophobicContact CE2-CB 4.37Å; F402-H406 AromaticContact CE2-CD2 3.26Å; F402-H406 WeakPolarHBondContact CE2-CD2 3.27Å; F402-H406 AromaticContact CE2-CG 3.79Å; F402-H406 AromaticContact CE2-NE2 3.76Å; F402-H406 HydrophobicContact CZ-CB 4.29Å; F402-H406 VanDerWaalsContact O-CB 3.23Å; F402-H406 WeakPolarHBondContact O-CB 3.39Å; F402-H406 PolarHBondContact O-CD2 2.97Å; F402-H406 PolarHBondContact O-N 3.34Å; H406-D410 HydrophobicContact CB-CB 4.35Å; H406-R411 HydrophobicContact CB-CG 3.9Å; H406-R411 WeakPolarHBondContact O-CD 3.44Å; H406-R411 WeakPolarHBondContact O-CG 3.33Å; H406-R411 PolarHBondContact O-NE 3.1Å; H406-H414 AromaticContact CE1-CE1 3.33Å; H406-H414 PolarHBondContact CE1-CE1 3.05Å; H406-H414 AromaticContact CE1-ND1 3.14Å; H406-H414 PolarHBondContact CE1-ND1 3.08Å; H406-H414 AromaticContact CG-ND1 3.92Å; H406-H414 AromaticContact ND1-CE1 3.22Å; H406-H414 PolarHBondContact ND1-CE1 3.17Å; H406-H414 AromaticContact ND1-CG 3.91Å; H406-H414 AromaticContact ND1-ND1 2.99Å; H406-H414 PolarHBondContact ND1-ND1 3.44Å
407D62.8Low75.9Confident76 Ų7686.1 Ų86.141%0.40641%0.406SS..  trans-66170.6179.8-167.917.1000110.6Y409 D410 R411D407-Y409 PolarHBondContact O-N 3.36Å; D407-D410 PolarHBondContact O-N 3.42Å; D407-D410 VanDerWaalsContact O-N 3.14Å; D407-R411 WeakPolarHBondContact O-CG 3.46Å; D407-R411 PolarHBondContact O-N 3.4Å; D407-R411 VanDerWaalsContact O-N 3.13Å; D407-R411 PolarHBondContact O-NE 2.88Å
408K57.8Low75.8Confident113 Ų11390.3 Ų90.349%0.49144%0.437SS..THydrogen-bonded Turntrans-49.9-18.7177.963.3-164.2166.2-67.70115.9
409Y56.2Low75.5Confident173 Ų17391 Ų9168%0.67844%0.439SS*.THydrogen-bonded Turntrans-89.8-45.3176.7-71.5-82.3000111.7D407 R411 K412D407-Y409 PolarHBondContact O-N 3.36Å; Y409-R411 PolarHBondContact O-N 2.95Å; Y409-K412 PolarHBondContact O-N 3.38Å
410D61Low75.2Confident69 Ų6993.6 Ų93.637%0.36945%0.452SS..G310 helixtrans-71.4-26.9-179.8-52.7-37.2000113.6H406 D407 K412 E413 H414H406-D410 HydrophobicContact CB-CB 4.35Å; D407-D410 PolarHBondContact O-N 3.42Å; D407-D410 VanDerWaalsContact O-N 3.14Å; D410-K412 PolarHBondContact O-N 3.24Å; D410-K412 VanDerWaalsContact O-N 3.13Å; D410-E413 PolarHBondContact O-N 2.96Å; D410-H414 WeakPolarHBondContact O-CB 3.44Å; D410-H414 PolarHBondContact O-CD2 3.24Å; D410-H414 PolarHBondContact O-N 3.03Å
411R60.7Low74.8Confident110 Ų11087.4 Ų87.442%0.41544%0.438SS..G310 helixtrans-64.3-17179-75-177.1-70.4159.2-5.2114.9F402 H406 D407 Y409F402-R411 HydrophobicContact CE1-CG 4.21Å; H406-R411 HydrophobicContact CB-CG 3.9Å; H406-R411 WeakPolarHBondContact O-CD 3.44Å; H406-R411 WeakPolarHBondContact O-CG 3.33Å; H406-R411 PolarHBondContact O-NE 3.1Å; D407-R411 WeakPolarHBondContact O-CG 3.46Å; D407-R411 PolarHBondContact O-N 3.4Å; D407-R411 VanDerWaalsContact O-N 3.13Å; D407-R411 PolarHBondContact O-NE 2.88Å; Y409-R411 PolarHBondContact O-N 2.95Å
412K62.3Low74Confident190 Ų19091.5 Ų91.583%0.82647%0.465SS*.G310 helixtrans-82-27.5174.7-76.6-178179.2-179.50112.3Y409 D410Y409-K412 PolarHBondContact O-N 3.38Å; D410-K412 PolarHBondContact O-N 3.24Å; D410-K412 VanDerWaalsContact O-N 3.13Å
413E68.3Low73Confident152 Ų152100.1 Ų100.171%0.7150%0.502SS*.THydrogen-bonded Turntrans-91.2-25.1179-63.3-175-178.200110.6T391 D410 H415T391-E413 WeakPolarHBondContact CG2-O 3.3Å; D410-E413 PolarHBondContact O-N 2.96Å; E413-H415 PolarHBondContact O-N 3.2Å
414H78.8Confident71.8Confident41 Ų41101.5 Ų101.519%0.1951%0.513CS..  trans-89.7107.5-177.2-71.4-141000113.1T391 C392 F402 H406 D410T391-H414 WeakPolarHBondContact OG1-CA 3.37Å; T391-H414 VanDerWaalsContact OG1-CB 3.22Å; T391-H414 WeakPolarHBondContact OG1-CB 3.45Å; T391-H414 PolarHBondContact OG1-ND1 3.35Å; C392-H414 PolarHBondContact SG-CE1 3.26Å; C392-H414 PolarHBondContact SG-ND1 2.72Å; F402-H414 HydrophobicContact CZ-CB 4.31Å; H406-H414 AromaticContact CE1-CE1 3.33Å; H406-H414 PolarHBondContact CE1-CE1 3.05Å; H406-H414 AromaticContact CE1-ND1 3.14Å; H406-H414 PolarHBondContact CE1-ND1 3.08Å; H406-H414 AromaticContact CG-ND1 3.92Å; H406-H414 AromaticContact ND1-CE1 3.22Å; H406-H414 PolarHBondContact ND1-CE1 3.17Å; H406-H414 AromaticContact ND1-CG 3.91Å; H406-H414 AromaticContact ND1-ND1 2.99Å; H406-H414 PolarHBondContact ND1-ND1 3.44Å; D410-H414 WeakPolarHBondContact O-CB 3.44Å; D410-H414 PolarHBondContact O-CD2 3.24Å; D410-H414 PolarHBondContact O-N 3.03Å
415H81.1Confident70.2Confident125 Ų125104.2 Ų104.258%0.57952%0.522SS*.  trans-78.6124.4176.4-173.961.9000110.9H390 T391 E413H390-H415 HydrophobicContact CB-CB 4.5Å; H390-H415 AromaticContact CD2-CD2 3.63Å; H390-H415 PolarHBondContact N-O 2.98Å; T391-H415 HydrophobicContact CG2-CB 4.33Å; E413-H415 PolarHBondContact O-N 3.2Å
416T87.9Confident68.7Low49 Ų49112.9 Ų112.930%0.30154%0.54SS..EExtended strand (participates in β ladder)trans-120.6146.3178.949.20000112.7R388 C389 F402R388-T416 CarbonylContact O-C 3.52Å; R388-T416 WeakPolarHBondContact O-CA 3.13Å; R388-T416 WeakPolarHBondContact O-CB 3.21Å; C389-T416 HydrophobicContact CB-CG2 4.09Å; F402-T416 HydrophobicContact CD1-CG2 4.47Å; F402-T416 HydrophobicContact CD2-CG2 4.26Å; F402-T416 HydrophobicContact CE1-CG2 3.73Å; F402-T416 HydrophobicContact CE2-CG2 3.48Å; F402-T416 VanDerWaalsContact CE2-CG2 3.48Å; F402-T416 HydrophobicContact CZ-CG2 3.19Å
417S86.4Confident67.4Low41 Ų41122.1 Ų122.129%0.28758%0.58SS.*EExtended strand (participates in β ladder)trans-118.8155.1169.461.70000110.9L387 R388 H390 Y419L387-S417 CarbonylContact C-O 3.6Å; L387-S417 WeakPolarHBondContact CA-O 3.28Å; R388-S417 PolarHBondContact N-O 3.46Å; R388-S417 PolarHBondContact O-N 3.43Å; H390-S417 VanDerWaalsContact NE2-CB 3.35Å; H390-S417 WeakPolarHBondContact NE2-CB 3.39Å; H390-S417 PolarHBondContact NE2-OG 3.14Å; S417-Y419 PolarHBondContact O-N 3.16Å
418S85.9Confident66.5Low105 Ų105128.3 Ų128.373%0.73462%0.621SS**EExtended strand (participates in β ladder)trans-72.6126.8175.556.10000110.3
419Y84.4Confident66.9Low24 Ų24129.1 Ų129.19%0.09463%0.627CS.*  trans-102.7137.8175.7-179.5-102.4000110.7E374 P376 A385 T386 L396 S417 A421E374-Y419 VanDerWaalsContact OE2-CE2 3.23Å; E374-Y419 WeakPolarHBondContact OE2-CE2 3.39Å; P376-Y419 HydrophobicContact CB-CE1 4.44Å; A385-Y419 HydrophobicContact CB-CD1 4Å; A385-Y419 HydrophobicContact CB-CE1 4.39Å; T386-Y419 PolarHBondContact O-N 3.41Å; L396-Y419 HydrophobicContact CD1-CD1 4.06Å; L396-Y419 HydrophobicContact CD1-CD2 4.4Å; L396-Y419 HydrophobicContact CD1-CE1 3.68Å; L396-Y419 HydrophobicContact CD1-CE2 4.05Å; L396-Y419 HydrophobicContact CD1-CG 4.38Å; L396-Y419 HydrophobicContact CD2-CD1 3.74Å; L396-Y419 HydrophobicContact CD2-CD2 3.59Å; L396-Y419 HydrophobicContact CD2-CE1 4.19Å; L396-Y419 HydrophobicContact CD2-CE2 4.05Å; L396-Y419 HydrophobicContact CD2-CG 3.39Å; S417-Y419 PolarHBondContact O-N 3.16Å; Y419-A421 HydrophobicContact CE1-CB 4.19Å
420T79.3Confident67.5Low120 Ų120126.7 Ų126.774%0.73663%0.625SS**  trans-133.9120170.8-61.70000108.2
421A76.9Confident67.8Low44 Ų44129.9 Ų129.936%0.36464%0.639SS.*  trans-56.3132.5-17800000111.1P376 Y419 K423P376-A421 HydrophobicContact CB-CB 3.78Å; Y419-A421 HydrophobicContact CE1-CB 4.19Å; A421-K423 PolarHBondContact O-N 3.48Å
422P69.7Low68.2Low98 Ų98131.1 Ų131.164%0.63665%0.652SS**  trans-62.6122.3178.721.3-29.1000109.7K424P422-K424 VanDerWaalsContact C-N 3.34Å; P422-K424 PolarHBondContact O-N 2.93Å
423K62.5Low68.6Low198 Ų198127.4 Ų127.486%0.86164%0.641SS**  trans-66.795172.8-66.6-178.6-178.1177.60107.6A421 K425A421-K423 PolarHBondContact O-N 3.48Å; K423-K425 PolarHBondContact O-N 3.32Å
424K57Low68.6Low195 Ų195125.8 Ų125.885%0.84864%0.636SS**  trans-52.9107.9172.5-68.8-170.2178.8-172.70107.7P422 R426P422-K424 VanDerWaalsContact C-N 3.34Å; P422-K424 PolarHBondContact O-N 2.93Å; K424-R426 PolarHBondContact O-N 3.09Å
425K49.5Very low67.9Low199 Ų199131.9 Ų131.987%0.86567%0.668SS**  trans-60.1114.1170.5-69.8-174.6-179.3179.20105.6K423 K427K423-K425 PolarHBondContact O-N 3.32Å; K425-K427 PolarHBondContact O-N 3.1Å
426R42.1Very low66.9Low231 Ų231132.4 Ų132.487%0.87268%0.675SS**  trans-58.2104.7169.2-75.9175.767.5-168.40.8106.3K424 T428K424-R426 PolarHBondContact O-N 3.09Å; R426-T428 PolarHBondContact O-N 3.46Å; R426-T428 VanDerWaalsContact O-N 3.07Å; R426-T428 PolarHBondContact O-OG1 2.89Å
427K45.4Very low65.1Low211 Ų211139.3 Ų139.392%0.91771%0.707SS**  trans-55.9115.1164.8-79179.91761750105.5K425K425-K427 PolarHBondContact O-N 3.1Å
428T42.5Very low63.2Low206 Ų206148.3 Ų148.3100%1.26475%0.745SS**  trans-84.20177-42.50000108.4R426R426-T428 PolarHBondContact O-N 3.46Å; R426-T428 VanDerWaalsContact O-N 3.07Å; R426-T428 PolarHBondContact O-OG1 2.89Å

Retrieved 428 of 428 residues in 94.4 ms (Link to these results)