A0A087XJB4_POEFO Loading...

HAT C-terminal dimerisation domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XJB4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 531 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
1K55.7Low72Confident236 Ų23697.1 Ų97.1100%1.02646%0.462SS*.  0132.20-78.1176.4174.4177.70107.3S3K1-S3 PolarHBondContact O-N 3.43Å
2K67.4Low72Confident208 Ų20894.8 Ų94.890%0.90445%0.448SS*.  trans-77.5116173.5-67.7-176.8178.9-178.90107.2
3S75.4Confident71.7Confident42 Ų4290.6 Ų90.629%0.29445%0.446SS..  trans-110.6145.7177.947.60000109.8K1 F5K1-S3 PolarHBondContact O-N 3.43Å; S3-F5 VanDerWaalsContact OG-CE2 3.29Å; S3-F5 WeakPolarHBondContact OG-CE2 3.4Å
4L73.1Confident71.5Confident92 Ų9287.7 Ų87.748%0.48245%0.451SS..BIsolated β-bridgetrans-96.3131.8179.4-74.4160.9000109.9G22 I23 L26L4-G22 CarbonylContact O-C 3.58Å; L4-G22 WeakPolarHBondContact O-CA 3.46Å; L4-I23 PolarHBondContact N-O 3.02Å; L4-I23 PolarHBondContact O-N 2.97Å; L4-L26 HydrophobicContact CD1-CD2 3.49Å; L4-L26 VanDerWaalsContact CD1-CD2 3.49Å; L4-L26 HydrophobicContact CD1-CG 4.34Å
5F78.6Confident71.6Confident90 Ų9088 Ų8840%0.39545%0.454SS..  trans-116.1145.8175.4-62.3-90.7000108.9S3 L10 T19 G22S3-F5 VanDerWaalsContact OG-CE2 3.29Å; S3-F5 WeakPolarHBondContact OG-CE2 3.4Å; F5-L10 HydrophobicContact CB-CD1 4.09Å; F5-T19 WeakPolarHBondContact CD1-O 3.38Å; F5-T19 WeakPolarHBondContact CE1-O 3.4Å; F5-G22 VanDerWaalsContact CE1-CA 3.44Å
6C75.8Confident71.6Confident16 Ų1686.7 Ų86.711%0.10845%0.451CS..  trans-96.8119.2176.4-178.10000109.8M8 Y9 L10 W18 H36C6-M8 PolarHBondContact O-N 3.15Å; C6-Y9 HydrophobicContact CB-CD2 3.76Å; C6-Y9 HydrophobicContact CB-CG 4.36Å; C6-Y9 PolarHBondContact O-N 2.88Å; C6-L10 PolarHBondContact O-N 3.35Å; C6-W18 HydrophobicContact CB-CD2 4.4Å; C6-W18 HydrophobicContact CB-CE3 3.81Å; C6-W18 HydrophobicContact CB-CZ3 4.41Å; C6-W18 PolarHBondContact N-O 2.83Å; C6-H36 VanDerWaalsContact SG-CE1 3.5Å; C6-H36 PolarHBondContact SG-NE2 3.08Å; C6-H36 VanDerWaalsContact SG-NE2 3.37Å
7F75.3Confident71.6Confident142 Ų14283.1 Ų83.162%0.62344%0.437SS*.Hα-helixtrans-52.2-39.2176.9174.1-109.2000112.6Y9 L10 L11F7-Y9 PolarHBondContact O-N 2.86Å; F7-L10 PolarHBondContact O-N 3.05Å; F7-L11 HydrophobicContact CD1-CD1 3.88Å; F7-L11 HydrophobicContact CD2-CD1 4.27Å; F7-L11 HydrophobicContact CE1-CD1 3.27Å; F7-L11 HydrophobicContact CE2-CD1 3.72Å; F7-L11 HydrophobicContact CE2-CG 4.42Å; F7-L11 HydrophobicContact CG-CD1 4.35Å; F7-L11 HydrophobicContact CZ-CD1 3.19Å; F7-L11 HydrophobicContact CZ-CG 4.29Å; F7-L11 PolarHBondContact O-N 2.95Å; F7-L11 VanDerWaalsContact O-N 3.11Å
8M69.8Low71.6Confident48 Ų4879.3 Ų79.324%0.23642%0.416CS..Hα-helixtrans-68.3-35.2-179.5-50.5-153.6178.700112.6C6 L11 F12 I39 S40 L43C6-M8 PolarHBondContact O-N 3.15Å; M8-L11 PolarHBondContact O-N 2.98Å; M8-F12 WeakPolarHBondContact O-CD2 3.29Å; M8-F12 PolarHBondContact O-N 3.3Å; M8-I39 HydrophobicContact CB-CG2 3.65Å; M8-I39 WeakPolarHBondContact O-CG2 3.42Å; M8-S40 PolarHBondContact SD-OG 3.24Å; M8-S40 VanDerWaalsContact SD-OG 3.42Å; M8-L43 HydrophobicContact CE-CD2 3.33Å; M8-L43 HydrophobicContact CG-CD2 3.96Å; M8-L43 HydrophobicContact SD-CB 4.09Å; M8-L43 HydrophobicContact SD-CD2 3.6Å; M8-L43 VanDerWaalsContact SD-CD2 3.6Å; M8-L43 HydrophobicContact SD-CG 4.47Å
9Y74.1Confident71.6Confident4 Ų476.6 Ų76.62%0.01640%0.403CS..Hα-helixtrans-73.9-32.7175.4-82.6-102.7000112.3C6 F7 L11 G13 D15 W18 T19 C35 H36 I39C6-Y9 HydrophobicContact CB-CD2 3.76Å; C6-Y9 HydrophobicContact CB-CG 4.36Å; C6-Y9 PolarHBondContact O-N 2.88Å; F7-Y9 PolarHBondContact O-N 2.86Å; Y9-L11 VanDerWaalsContact C-N 3.3Å; Y9-L11 PolarHBondContact O-N 3.4Å; Y9-G13 CarbonylContact O-C 3.36Å; Y9-G13 VanDerWaalsContact O-CA 3.25Å; Y9-G13 WeakPolarHBondContact O-CA 3.43Å; Y9-G13 PolarHBondContact O-N 3.3Å; Y9-D15 HydrophobicContact CE1-CB 4.4Å; Y9-W18 HydrophobicContact CD1-CB 3.82Å; Y9-W18 HydrophobicContact CD1-CG 4.3Å; Y9-W18 HydrophobicContact CD2-CB 4.25Å; Y9-W18 HydrophobicContact CD2-CG 4.42Å; Y9-W18 HydrophobicContact CE1-CB 4.38Å; Y9-W18 HydrophobicContact CE1-CG 4.4Å; Y9-W18 HydrophobicContact CG-CB 3.73Å; Y9-W18 HydrophobicContact CG-CG 4.29Å; Y9-T19 VanDerWaalsContact O-CG2 3.3Å; Y9-T19 WeakPolarHBondContact O-CG2 3.3Å; Y9-C35 VanDerWaalsContact OH-C 3.26Å; Y9-C35 VanDerWaalsContact OH-CB 3.24Å; Y9-C35 WeakPolarHBondContact OH-CB 3.15Å; Y9-H36 HydrophobicContact CE2-CB 3.92Å; Y9-H36 AromaticContact CE2-CG 3.78Å; Y9-H36 WeakPolarHBondContact OH-CA 3.1Å; Y9-H36 PolarHBondContact OH-N 2.9Å; Y9-I39 HydrophobicContact CD1-CD1 3.58Å; Y9-I39 HydrophobicContact CD2-CD1 3.93Å; Y9-I39 HydrophobicContact CE1-CD1 3.44Å; Y9-I39 VanDerWaalsContact CE1-CD1 3.44Å; Y9-I39 HydrophobicContact CE2-CD1 3.8Å; Y9-I39 HydrophobicContact CG-CD1 3.84Å
10L75.6Confident71.8Confident99 Ų9980.5 Ų80.552%0.51842%0.419SS..Hα-helixtrans-64.5-35.1173.4-75.2164.6000112.1F5 C6 F7F5-L10 HydrophobicContact CB-CD1 4.09Å; C6-L10 PolarHBondContact O-N 3.35Å; F7-L10 PolarHBondContact O-N 3.05Å
11L70.9Confident72Confident91 Ų9183.3 Ų83.348%0.47643%0.43SS..Hα-helixtrans-75.9-44.7179.7-98.4158000114F7 M8 Y9 L43F7-L11 HydrophobicContact CD1-CD1 3.88Å; F7-L11 HydrophobicContact CD2-CD1 4.27Å; F7-L11 HydrophobicContact CE1-CD1 3.27Å; F7-L11 HydrophobicContact CE2-CD1 3.72Å; F7-L11 HydrophobicContact CE2-CG 4.42Å; F7-L11 HydrophobicContact CG-CD1 4.35Å; F7-L11 HydrophobicContact CZ-CD1 3.19Å; F7-L11 HydrophobicContact CZ-CG 4.29Å; F7-L11 PolarHBondContact O-N 2.95Å; F7-L11 VanDerWaalsContact O-N 3.11Å; M8-L11 PolarHBondContact O-N 2.98Å; Y9-L11 VanDerWaalsContact C-N 3.3Å; Y9-L11 PolarHBondContact O-N 3.4Å; L11-L43 HydrophobicContact CD1-CD1 4.22Å
12F72.4Confident72.8Confident69 Ų6972.4 Ų72.430%0.30339%0.385SS..Hα-helixtrans-103.6-3.7-171.5-69.9-73.5000114.5M8 I39 K42 L43 L46M8-F12 WeakPolarHBondContact O-CD2 3.29Å; M8-F12 PolarHBondContact O-N 3.3Å; F12-I39 HydrophobicContact CB-CG2 4.18Å; F12-I39 HydrophobicContact CD2-CG2 3.71Å; F12-I39 HydrophobicContact CG-CG2 4.31Å; F12-K42 HydrophobicContact CD1-CB 4.46Å; F12-K42 HydrophobicContact CD1-CD 4.36Å; F12-K42 HydrophobicContact CE1-CB 4.04Å; F12-K42 HydrophobicContact CE2-CB 4.17Å; F12-K42 HydrophobicContact CZ-CB 3.84Å; F12-L43 HydrophobicContact CE2-CB 3.88Å; F12-L43 HydrophobicContact CE2-CD1 3.74Å; F12-L43 HydrophobicContact CE2-CG 4.44Å; F12-L43 HydrophobicContact CZ-CB 4.47Å; F12-L43 HydrophobicContact CZ-CD1 4.3Å; F12-L46 HydrophobicContact CE1-CD1 3.8Å; F12-L46 HydrophobicContact CE1-CG 4.46Å; F12-L46 HydrophobicContact CE2-CD1 4.21Å; F12-L46 HydrophobicContact CZ-CD1 3.27Å; F12-L46 HydrophobicContact CZ-CG 4.05Å
13G68.2Low73.1Confident41 Ų4164.3 Ų64.342%0.42335%0.351SS..  trans69.8165-168.500000112.3Y9Y9-G13 CarbonylContact O-C 3.36Å; Y9-G13 VanDerWaalsContact O-CA 3.25Å; Y9-G13 WeakPolarHBondContact O-CA 3.43Å; Y9-G13 PolarHBondContact O-N 3.3Å
14G69.4Low73Confident50 Ų5066.7 Ų66.752%0.51536%0.364SS..  trans157.7-150.1-178.500000111.3T16G14-T16 PolarHBondContact O-N 3.04Å
15D72.9Confident72.9Confident92 Ų9266 Ų6649%0.49236%0.361SS..  trans-56.3132.5-176.4-163.8-13000112.1Y9 A17 W18 T19Y9-D15 HydrophobicContact CE1-CB 4.4Å; D15-A17 PolarHBondContact O-N 3.43Å; D15-A17 PolarHBondContact OD1-N 3.19Å; D15-W18 PolarHBondContact O-N 3.29Å; D15-T19 PolarHBondContact O-N 3.39Å; D15-T19 PolarHBondContact O-OG1 3.47Å; D15-T19 VanDerWaalsContact O-OG1 3.05Å
16T71.1Confident72.3Confident67 Ų6767.3 Ų67.341%0.41137%0.371SS..Hα-helixtrans-60.2-26.118058.90000112.2G14 W18 T19 Q20 Q21G14-T16 PolarHBondContact O-N 3.04Å; T16-W18 VanDerWaalsContact C-N 3.32Å; T16-W18 PolarHBondContact O-N 3.05Å; T16-T19 WeakPolarHBondContact CA-OG1 3.43Å; T16-T19 PolarHBondContact O-N 3.42Å; T16-Q20 PolarHBondContact O-N 3.4Å; T16-Q21 PolarHBondContact O-N 3.47Å
17A71.3Confident71.7Confident25 Ų2575.3 Ų75.321%0.20740%0.404CS..Iπ-helixtrans-61-36.3173.900000112.9D15 G22 I23D15-A17 PolarHBondContact O-N 3.43Å; D15-A17 PolarHBondContact OD1-N 3.19Å; A17-G22 CarbonylContact O-C 3.46Å; A17-G22 WeakPolarHBondContact O-CA 3.25Å; A17-G22 PolarHBondContact O-N 3.32Å; A17-I23 HydrophobicContact CB-CD1 4.49Å; A17-I23 HydrophobicContact CB-CG1 4.47Å
18W71.9Confident71Confident15 Ų1573.8 Ų73.86%0.05740%0.398CS..Iπ-helixtrans-94.9-9.5-176.9-71.6105.8000114.4C6 Y9 D15 T16 I23 L29 S32C6-W18 HydrophobicContact CB-CD2 4.4Å; C6-W18 HydrophobicContact CB-CE3 3.81Å; C6-W18 HydrophobicContact CB-CZ3 4.41Å; C6-W18 PolarHBondContact N-O 2.83Å; Y9-W18 HydrophobicContact CD1-CB 3.82Å; Y9-W18 HydrophobicContact CD1-CG 4.3Å; Y9-W18 HydrophobicContact CD2-CB 4.25Å; Y9-W18 HydrophobicContact CD2-CG 4.42Å; Y9-W18 HydrophobicContact CE1-CB 4.38Å; Y9-W18 HydrophobicContact CE1-CG 4.4Å; Y9-W18 HydrophobicContact CG-CB 3.73Å; Y9-W18 HydrophobicContact CG-CG 4.29Å; D15-W18 PolarHBondContact O-N 3.29Å; T16-W18 VanDerWaalsContact C-N 3.32Å; T16-W18 PolarHBondContact O-N 3.05Å; W18-I23 HydrophobicContact CD2-CD1 3.58Å; W18-I23 HydrophobicContact CD2-CG1 3.95Å; W18-I23 HydrophobicContact CE3-CD1 3.92Å; W18-I23 HydrophobicContact CE3-CG1 3.92Å; W18-I23 HydrophobicContact CG-CD1 4.26Å; W18-I23 HydrophobicContact CH2-CD1 3.64Å; W18-I23 HydrophobicContact CH2-CG1 4.24Å; W18-I23 HydrophobicContact CZ2-CD1 3.26Å; W18-I23 HydrophobicContact CZ2-CG1 4.26Å; W18-I23 HydrophobicContact CZ3-CB 4.31Å; W18-I23 HydrophobicContact CZ3-CD1 3.94Å; W18-I23 HydrophobicContact CZ3-CG1 4.06Å; W18-L29 HydrophobicContact CH2-CD1 3.97Å; W18-L29 HydrophobicContact CH2-CD2 4.14Å; W18-L29 HydrophobicContact CH2-CG 3.88Å; W18-L29 HydrophobicContact CZ2-CG 4.39Å; W18-S32 WeakPolarHBondContact CZ2-OG 3.38Å
19T71.8Confident70.5Confident28 Ų2875 Ų7517%0.17241%0.406CS..Iπ-helixtrans-115.9-49.3-173.351.80000113.5F5 Y9 D15 T16F5-T19 WeakPolarHBondContact CD1-O 3.38Å; F5-T19 WeakPolarHBondContact CE1-O 3.4Å; Y9-T19 VanDerWaalsContact O-CG2 3.3Å; Y9-T19 WeakPolarHBondContact O-CG2 3.3Å; D15-T19 PolarHBondContact O-N 3.39Å; D15-T19 PolarHBondContact O-OG1 3.47Å; D15-T19 VanDerWaalsContact O-OG1 3.05Å; T16-T19 WeakPolarHBondContact CA-OG1 3.43Å; T16-T19 PolarHBondContact O-N 3.42Å
20Q74.6Confident69.6Low155 Ų15579.3 Ų79.372%0.72444%0.436SS*.Iπ-helixtrans-109.4-41.2-172.1-66.1-177.9-7.100113.3T16T16-Q20 PolarHBondContact O-N 3.4Å
21Q77.3Confident68.6Low139 Ų13981.8 Ų81.865%0.6545%0.445SS*.Iπ-helixtrans-90.5-35.6-174.2-62.4178.1-1.400112.2T16T16-Q21 PolarHBondContact O-N 3.47Å
22G71.4Confident68Low8 Ų879.1 Ų79.18%0.08243%0.434CS..  trans74.1140.4-17900000112.4L4 F5 A17L4-G22 CarbonylContact O-C 3.58Å; L4-G22 WeakPolarHBondContact O-CA 3.46Å; F5-G22 VanDerWaalsContact CE1-CA 3.44Å; A17-G22 CarbonylContact O-C 3.46Å; A17-G22 WeakPolarHBondContact O-CA 3.25Å; A17-G22 PolarHBondContact O-N 3.32Å
23I74.6Confident67.5Low38 Ų3878.5 Ų78.520%0.19544%0.438CS..BIsolated β-bridgetrans-84.8133.9-176.3-58.6-153.5000110.5L4 A17 W18 D25L4-I23 PolarHBondContact N-O 3.02Å; L4-I23 PolarHBondContact O-N 2.97Å; A17-I23 HydrophobicContact CB-CD1 4.49Å; A17-I23 HydrophobicContact CB-CG1 4.47Å; W18-I23 HydrophobicContact CD2-CD1 3.58Å; W18-I23 HydrophobicContact CD2-CG1 3.95Å; W18-I23 HydrophobicContact CE3-CD1 3.92Å; W18-I23 HydrophobicContact CE3-CG1 3.92Å; W18-I23 HydrophobicContact CG-CD1 4.26Å; W18-I23 HydrophobicContact CH2-CD1 3.64Å; W18-I23 HydrophobicContact CH2-CG1 4.24Å; W18-I23 HydrophobicContact CZ2-CD1 3.26Å; W18-I23 HydrophobicContact CZ2-CG1 4.26Å; W18-I23 HydrophobicContact CZ3-CB 4.31Å; W18-I23 HydrophobicContact CZ3-CD1 3.94Å; W18-I23 HydrophobicContact CZ3-CG1 4.06Å; I23-D25 WeakPolarHBondContact CG2-O 3.36Å
24V73.8Confident67.3Low91 Ų9181.6 Ų81.655%0.55245%0.449SS*.  trans-114.9-19-179.2-137.10000112.1
25D70.6Confident67.2Low78 Ų7882.9 Ų82.942%0.41745%0.45SS..  trans-100.1106.8177.8-173.45.7000111I23 K27 H28I23-D25 WeakPolarHBondContact CG2-O 3.36Å; D25-K27 WeakPolarHBondContact OD1-CB 3.41Å; D25-K27 PolarHBondContact OD1-N 3.19Å; D25-H28 IonicContact OD2-CE1 2.72Å; D25-H28 IonicContact OD2-CG 3.69Å; D25-H28 IonicContact OD2-ND1 2.83Å; D25-H28 PolarHBondContact OD2-ND1 3.47Å
26L65.6Low67.2Low117 Ų11781 Ų8161%0.61344%0.438SS*.  trans-80.7-13179.5-73167.3000113.2L4 L29L4-L26 HydrophobicContact CD1-CD2 3.49Å; L4-L26 VanDerWaalsContact CD1-CD2 3.49Å; L4-L26 HydrophobicContact CD1-CG 4.34Å; L26-L29 HydrophobicContact CD2-CD1 3.77Å
27K62.7Low67.3Low185 Ų18582.9 Ų82.980%0.80444%0.444SS*.THydrogen-bonded Turntrans-77.6-23.6-174.3-72.3-176.4176.3-178.50113.7D25D25-K27 WeakPolarHBondContact OD1-CB 3.41Å; D25-K27 PolarHBondContact OD1-N 3.19Å
28H60.3Low67.4Low109 Ų10990.7 Ų90.751%0.50547%0.468SS..THydrogen-bonded Turntrans-10818.2-177.7-62.194.8000113.5D25 S30 E31D25-H28 IonicContact OD2-CE1 2.72Å; D25-H28 IonicContact OD2-CG 3.69Å; D25-H28 IonicContact OD2-ND1 2.83Å; D25-H28 PolarHBondContact OD2-ND1 3.47Å; H28-S30 PolarHBondContact O-N 3.43Å; H28-S30 VanDerWaalsContact O-N 3.15Å; H28-E31 PolarHBondContact O-N 3.11Å
29L59.1Low67.5Low75 Ų7590.7 Ų90.739%0.39347%0.469SS..G310 helixtrans-65.9-19.6-172.6-140.2114.7000114.1W18 L26 E31 S32W18-L29 HydrophobicContact CH2-CD1 3.97Å; W18-L29 HydrophobicContact CH2-CD2 4.14Å; W18-L29 HydrophobicContact CH2-CG 3.88Å; W18-L29 HydrophobicContact CZ2-CG 4.39Å; L26-L29 HydrophobicContact CD2-CD1 3.77Å; L29-E31 VanDerWaalsContact C-N 3.34Å; L29-S32 PolarHBondContact O-OG 3.05Å
30S56.1Low67.5Low94 Ų9491.4 Ų91.466%0.65748%0.475SS*.G310 helixtrans-76-17.8-179.255.50000114.1H28 S32 S33H28-S30 PolarHBondContact O-N 3.43Å; H28-S30 VanDerWaalsContact O-N 3.15Å; S30-S32 VanDerWaalsContact C-N 3.35Å; S30-S33 PolarHBondContact O-OG 3.37Å
31E54.9Low67.5Low151 Ų15187.8 Ų87.871%0.70646%0.463SS*.G310 helixtrans-79.2-15.1-175.5-66.6-176.8164.900113.2H28 L29 S33H28-E31 PolarHBondContact O-N 3.11Å; L29-E31 VanDerWaalsContact C-N 3.34Å; E31-S33 PolarHBondContact O-N 3Å
32S58.3Low67.3Low34 Ų3486.4 Ų86.424%0.23846%0.456CS..G310 helixtrans-93.119.3179.363.20000114.9W18 L29 S30 H36W18-S32 WeakPolarHBondContact CZ2-OG 3.38Å; L29-S32 PolarHBondContact O-OG 3.05Å; S30-S32 VanDerWaalsContact C-N 3.35Å; S32-H36 PolarHBondContact O-N 3.42Å
33S61.4Low67.4Low56 Ų5688.2 Ų88.239%0.39246%0.463SS..Hα-helixtrans-71.6-38.3-163.4540000115S30 E31 H36 I37S30-S33 PolarHBondContact O-OG 3.37Å; E31-S33 PolarHBondContact O-N 3Å; S33-H36 PolarHBondContact O-N 3.28Å; S33-I37 WeakPolarHBondContact O-CB 3.34Å; S33-I37 VanDerWaalsContact O-CD1 3.3Å; S33-I37 WeakPolarHBondContact O-CD1 3.43Å; S33-I37 WeakPolarHBondContact O-CG1 3.5Å; S33-I37 PolarHBondContact O-N 3.3Å
34T64.9Low67.2Low107 Ų10789.2 Ų89.266%0.65647%0.474SS*.Hα-helixtrans-67.6-44.9-174.647.30000113.1H36 R38T34-H36 VanDerWaalsContact C-N 3.34Å; T34-R38 WeakPolarHBondContact O-CB 3.24Å; T34-R38 PolarHBondContact O-N 3.49Å; T34-R38 VanDerWaalsContact O-N 3.1Å
35C66.9Low67Low77 Ų7789.6 Ų89.652%0.5247%0.47SS..Hα-helixtrans-64.6-40.5174.7-69.90000111.4Y9 R38 I39Y9-C35 VanDerWaalsContact OH-C 3.26Å; Y9-C35 VanDerWaalsContact OH-CB 3.24Å; Y9-C35 WeakPolarHBondContact OH-CB 3.15Å; C35-R38 PolarHBondContact O-N 2.98Å; C35-I39 WeakPolarHBondContact O-CG1 3.3Å; C35-I39 PolarHBondContact O-N 2.86Å; C35-I39 VanDerWaalsContact O-N 3.08Å
36H73.6Confident66.7Low53 Ų5388.9 Ų88.925%0.24547%0.466CS..Hα-helixtrans-68.2-42.2-179.3-163.6-19.2000111.5C6 Y9 S32 S33 T34 R38 I39 S40C6-H36 VanDerWaalsContact SG-CE1 3.5Å; C6-H36 PolarHBondContact SG-NE2 3.08Å; C6-H36 VanDerWaalsContact SG-NE2 3.37Å; Y9-H36 HydrophobicContact CE2-CB 3.92Å; Y9-H36 AromaticContact CE2-CG 3.78Å; Y9-H36 WeakPolarHBondContact OH-CA 3.1Å; Y9-H36 PolarHBondContact OH-N 2.9Å; S32-H36 PolarHBondContact O-N 3.42Å; S33-H36 PolarHBondContact O-N 3.28Å; T34-H36 VanDerWaalsContact C-N 3.34Å; H36-R38 VanDerWaalsContact C-N 3.3Å; H36-R38 PolarHBondContact O-N 3.41Å; H36-I39 PolarHBondContact O-N 3.02Å; H36-S40 PolarHBondContact ND1-OG 3.25Å; H36-S40 PolarHBondContact O-N 3.33Å; H36-S40 PolarHBondContact O-OG 3.43Å
37I71.9Confident66.3Low106 Ų10688 Ų8854%0.54447%0.47SS..Hα-helixtrans-58.2-44174.2-70.4162.5000110.2S33 I39 S40 V41S33-I37 WeakPolarHBondContact O-CB 3.34Å; S33-I37 VanDerWaalsContact O-CD1 3.3Å; S33-I37 WeakPolarHBondContact O-CD1 3.43Å; S33-I37 WeakPolarHBondContact O-CG1 3.5Å; S33-I37 PolarHBondContact O-N 3.3Å; I37-I39 PolarHBondContact O-N 3.34Å; I37-S40 PolarHBondContact O-N 3.42Å; I37-V41 WeakPolarHBondContact O-CG2 3.49Å; I37-V41 PolarHBondContact O-N 3.1Å
38R73.4Confident66.2Low188 Ų18886.2 Ų86.271%0.70946%0.464SS*.Hα-helixtrans-64.2-37.7179.9-164.5173.4179.5172.8-1.1112.8T34 C35 H36 K42T34-R38 WeakPolarHBondContact O-CB 3.24Å; T34-R38 PolarHBondContact O-N 3.49Å; T34-R38 VanDerWaalsContact O-N 3.1Å; C35-R38 PolarHBondContact O-N 2.98Å; H36-R38 VanDerWaalsContact C-N 3.3Å; H36-R38 PolarHBondContact O-N 3.41Å; R38-K42 PolarHBondContact O-N 3.5Å
39I74.4Confident66.1Low16 Ų1684.2 Ų84.28%0.08246%0.46CS..Hα-helixtrans-73.2-36.5176-64.8172.9000110.9M8 Y9 F12 C35 H36 I37 V41 K42 L43M8-I39 HydrophobicContact CB-CG2 3.65Å; M8-I39 WeakPolarHBondContact O-CG2 3.42Å; Y9-I39 HydrophobicContact CD1-CD1 3.58Å; Y9-I39 HydrophobicContact CD2-CD1 3.93Å; Y9-I39 HydrophobicContact CE1-CD1 3.44Å; Y9-I39 VanDerWaalsContact CE1-CD1 3.44Å; Y9-I39 HydrophobicContact CE2-CD1 3.8Å; Y9-I39 HydrophobicContact CG-CD1 3.84Å; F12-I39 HydrophobicContact CB-CG2 4.18Å; F12-I39 HydrophobicContact CD2-CG2 3.71Å; F12-I39 HydrophobicContact CG-CG2 4.31Å; C35-I39 WeakPolarHBondContact O-CG1 3.3Å; C35-I39 PolarHBondContact O-N 2.86Å; C35-I39 VanDerWaalsContact O-N 3.08Å; H36-I39 PolarHBondContact O-N 3.02Å; I37-I39 PolarHBondContact O-N 3.34Å; I39-V41 VanDerWaalsContact C-N 3.31Å; I39-V41 PolarHBondContact O-N 2.99Å; I39-K42 WeakPolarHBondContact O-CB 3.39Å; I39-K42 PolarHBondContact O-N 2.97Å; I39-K42 VanDerWaalsContact O-N 3.12Å; I39-L43 PolarHBondContact O-N 3.12Å
40S72.3Confident66.2Low43 Ų4385.8 Ų85.830%0.30147%0.469SS..Hα-helixtrans-62.2-37.5173.7-610000112.4M8 H36 I37 L43 S44M8-S40 PolarHBondContact SD-OG 3.24Å; M8-S40 VanDerWaalsContact SD-OG 3.42Å; H36-S40 PolarHBondContact ND1-OG 3.25Å; H36-S40 PolarHBondContact O-N 3.33Å; H36-S40 PolarHBondContact O-OG 3.43Å; I37-S40 PolarHBondContact O-N 3.42Å; S40-L43 PolarHBondContact O-N 3.21Å; S40-S44 PolarHBondContact O-N 2.98Å
41V73.8Confident66.4Low78 Ų7886.2 Ų86.247%0.47346%0.463SS..Hα-helixtrans-62.9-42.7172173.20000111.2I37 I39 L43 S44 M45I37-V41 WeakPolarHBondContact O-CG2 3.49Å; I37-V41 PolarHBondContact O-N 3.1Å; I39-V41 VanDerWaalsContact C-N 3.31Å; I39-V41 PolarHBondContact O-N 2.99Å; V41-L43 VanDerWaalsContact C-N 3.34Å; V41-L43 PolarHBondContact O-N 3.38Å; V41-S44 WeakPolarHBondContact O-CB 3.25Å; V41-S44 PolarHBondContact O-N 3.48Å; V41-M45 VanDerWaalsContact O-CG 3.25Å; V41-M45 WeakPolarHBondContact O-CG 3.39Å; V41-M45 PolarHBondContact O-N 3.29Å; V41-M45 VanDerWaalsContact O-N 3.09Å
42K72.9Confident66.4Low111 Ų11181.2 Ų81.248%0.48345%0.447SS..Hα-helixtrans-61.2-40.6175.4-73-176.5175.3-175.40112.4F12 R38 I39 M45 L46F12-K42 HydrophobicContact CD1-CB 4.46Å; F12-K42 HydrophobicContact CD1-CD 4.36Å; F12-K42 HydrophobicContact CE1-CB 4.04Å; F12-K42 HydrophobicContact CE2-CB 4.17Å; F12-K42 HydrophobicContact CZ-CB 3.84Å; R38-K42 PolarHBondContact O-N 3.5Å; I39-K42 WeakPolarHBondContact O-CB 3.39Å; I39-K42 PolarHBondContact O-N 2.97Å; I39-K42 VanDerWaalsContact O-N 3.12Å; K42-M45 PolarHBondContact O-N 3.45Å; K42-L46 PolarHBondContact O-N 3.09Å
43L74.9Confident66.3Low45 Ų4581 Ų8124%0.23645%0.445CS..Hα-helixtrans-66.7-42.1177.5-166.874.4000112M8 L11 F12 I39 S40 V41 M45 L46M8-L43 HydrophobicContact CE-CD2 3.33Å; M8-L43 HydrophobicContact CG-CD2 3.96Å; M8-L43 HydrophobicContact SD-CB 4.09Å; M8-L43 HydrophobicContact SD-CD2 3.6Å; M8-L43 VanDerWaalsContact SD-CD2 3.6Å; M8-L43 HydrophobicContact SD-CG 4.47Å; L11-L43 HydrophobicContact CD1-CD1 4.22Å; F12-L43 HydrophobicContact CE2-CB 3.88Å; F12-L43 HydrophobicContact CE2-CD1 3.74Å; F12-L43 HydrophobicContact CE2-CG 4.44Å; F12-L43 HydrophobicContact CZ-CB 4.47Å; F12-L43 HydrophobicContact CZ-CD1 4.3Å; I39-L43 PolarHBondContact O-N 3.12Å; S40-L43 PolarHBondContact O-N 3.21Å; V41-L43 VanDerWaalsContact C-N 3.34Å; V41-L43 PolarHBondContact O-N 3.38Å; L43-M45 VanDerWaalsContact C-N 3.28Å; L43-M45 PolarHBondContact O-N 3.26Å; L43-L46 HydrophobicContact CD1-CD1 4.39Å; L43-L46 PolarHBondContact O-N 3.4Å
44S70.4Confident66Low60 Ų6083.2 Ų83.242%0.4245%0.449SS..Hα-helixtrans-56.5-43.4174.7170.20000111.7S40 V41 L46 S47S40-S44 PolarHBondContact O-N 2.98Å; V41-S44 WeakPolarHBondContact O-CB 3.25Å; V41-S44 PolarHBondContact O-N 3.48Å; S44-L46 PolarHBondContact O-N 3.34Å; S44-S47 PolarHBondContact O-N 2.87Å; S44-S47 PolarHBondContact O-OG 3.31Å
45M67.6Low65.6Low99 Ų9985 Ų8549%0.48845%0.454SS..Hα-helixtrans-68.7-29.4-178.6-69.1-75.7162.300113.5V41 K42 L43 S47 Q48V41-M45 VanDerWaalsContact O-CG 3.25Å; V41-M45 WeakPolarHBondContact O-CG 3.39Å; V41-M45 PolarHBondContact O-N 3.29Å; V41-M45 VanDerWaalsContact O-N 3.09Å; K42-M45 PolarHBondContact O-N 3.45Å; L43-M45 VanDerWaalsContact C-N 3.28Å; L43-M45 PolarHBondContact O-N 3.26Å; M45-S47 PolarHBondContact O-N 3.32Å; M45-Q48 PolarHBondContact O-N 3.34Å
46L64.5Low65.7Low62 Ų6285.5 Ų85.533%0.32545%0.452SS..Hα-helixtrans-61.6-29.7174.8-87.3174.2000112.9F12 K42 L43 S44F12-L46 HydrophobicContact CE1-CD1 3.8Å; F12-L46 HydrophobicContact CE1-CG 4.46Å; F12-L46 HydrophobicContact CE2-CD1 4.21Å; F12-L46 HydrophobicContact CZ-CD1 3.27Å; F12-L46 HydrophobicContact CZ-CG 4.05Å; K42-L46 PolarHBondContact O-N 3.09Å; L43-L46 HydrophobicContact CD1-CD1 4.39Å; L43-L46 PolarHBondContact O-N 3.4Å; S44-L46 PolarHBondContact O-N 3.34Å
47S57.6Low65.5Low100 Ų10090.4 Ų90.470%0.69948%0.475SS*.THydrogen-bonded Turntrans-82.1-17-177.8750000114.2S44 M45S44-S47 PolarHBondContact O-N 2.87Å; S44-S47 PolarHBondContact O-OG 3.31Å; M45-S47 PolarHBondContact O-N 3.32Å
48Q61.9Low65.4Low146 Ų14687.4 Ų87.468%0.68247%0.47SS*.THydrogen-bonded Turntrans-97.1-10.9-174.3-67.7-166-17.700113.6M45M45-Q48 PolarHBondContact O-N 3.34Å
49V57.5Low65.4Low68 Ų6882.1 Ų82.141%0.41245%0.453SS..SBendtrans-125.7138-176.3-170.50000109.4I51 Q54V49-I51 PolarHBondContact O-N 3.11Å; V49-Q54 HydrophobicContact CG1-CG 4.39Å
50N60.6Low65.2Low108 Ų10883.7 Ų83.758%0.57847%0.465SS*.  trans-59.6122.4176.2-171-21.9000109.8A52 C53N50-A52 PolarHBondContact O-N 3.23Å; N50-A52 VanDerWaalsContact O-N 3.11Å; N50-A52 PolarHBondContact OD1-N 2.92Å; N50-C53 WeakPolarHBondContact O-CB 3.4Å; N50-C53 PolarHBondContact O-N 3.2Å
51I60.7Low65.4Low103 Ų10384.9 Ų84.953%0.52847%0.468SS..Hα-helixtrans-55.5-31.6-175.9-64.9162.9000111.5V49 C53 Q54 L55V49-I51 PolarHBondContact O-N 3.11Å; I51-C53 VanDerWaalsContact C-N 3.31Å; I51-C53 PolarHBondContact O-N 3.13Å; I51-Q54 PolarHBondContact O-N 3.41Å; I51-Q54 VanDerWaalsContact O-N 3.16Å; I51-L55 HydrophobicContact CG2-CD1 3.6Å; I51-L55 HydrophobicContact CG2-CG 4.13Å; I51-L55 WeakPolarHBondContact O-CG 3.39Å; I51-L55 PolarHBondContact O-N 2.73Å; I51-L55 VanDerWaalsContact O-N 3.13Å
52A55.8Low65.6Low45 Ų4583.8 Ų83.837%0.37247%0.466SS..Hα-helixtrans-63-33.817600000113.3N50 Q54 D56N50-A52 PolarHBondContact O-N 3.23Å; N50-A52 VanDerWaalsContact O-N 3.11Å; N50-A52 PolarHBondContact OD1-N 2.92Å; A52-Q54 VanDerWaalsContact C-N 3.26Å; A52-Q54 PolarHBondContact O-N 3.39Å; A52-D56 PolarHBondContact O-N 3.16Å
53C55Low65.9Low31 Ų3181.1 Ų81.121%0.20946%0.459CS..Hα-helixtrans-73.2-18.1177.3-61.90000113.1N50 I51 S60N50-C53 WeakPolarHBondContact O-CB 3.4Å; N50-C53 PolarHBondContact O-N 3.2Å; I51-C53 VanDerWaalsContact C-N 3.31Å; I51-C53 PolarHBondContact O-N 3.13Å; C53-S60 WeakPolarHBondContact O-CB 3.38Å
54Q54.8Low66.2Low101 Ų10184.4 Ų84.447%0.47247%0.473SS..Hα-helixtrans-94.9-25.9177.3-70.9-174.3-18.900113V49 I51 A52V49-Q54 HydrophobicContact CG1-CG 4.39Å; I51-Q54 PolarHBondContact O-N 3.41Å; I51-Q54 VanDerWaalsContact O-N 3.16Å; A52-Q54 VanDerWaalsContact C-N 3.26Å; A52-Q54 PolarHBondContact O-N 3.39Å
55L57.1Low66.8Low144 Ų14489.9 Ų89.975%0.75449%0.485SS*.Hα-helixtrans-84.5-24.4-179.5-69.9172.1000113.3I51I51-L55 HydrophobicContact CG2-CD1 3.6Å; I51-L55 HydrophobicContact CG2-CG 4.13Å; I51-L55 WeakPolarHBondContact O-CG 3.39Å; I51-L55 PolarHBondContact O-N 2.73Å; I51-L55 VanDerWaalsContact O-N 3.13Å
56D69.7Low67.4Low89 Ų8990.7 Ų90.748%0.47649%0.487SS..  trans-131.7102.9179.2-175.8-3000110.4A52 G58 H59 S60A52-D56 PolarHBondContact O-N 3.16Å; D56-G58 PolarHBondContact O-N 3.32Å; D56-G58 WeakPolarHBondContact OD1-CA 3.33Å; D56-G58 PolarHBondContact OD1-N 3.07Å; D56-H59 HydrophobicContact CB-CB 3.81Å; D56-H59 WeakPolarHBondContact O-CB 3.45Å; D56-H59 PolarHBondContact O-N 3.33Å; D56-H59 VanDerWaalsContact O-N 3.07Å; D56-H59 PolarHBondContact OD1-N 3.09Å; D56-S60 PolarHBondContact O-N 2.75Å; D56-S60 VanDerWaalsContact O-N 3.09Å
57E69Low68.4Low156 Ų15692.2 Ų92.273%0.72950%0.496SS*.Hα-helixtrans-59.3-31.3176.1-168.2169.1-166.200111.4S60 I61E57-S60 PolarHBondContact O-N 2.87Å; E57-I61 HydrophobicContact CG-CD1 4.16Å; E57-I61 WeakPolarHBondContact O-CB 3.17Å; E57-I61 WeakPolarHBondContact O-CD1 3.29Å; E57-I61 VanDerWaalsContact O-CG1 3.24Å; E57-I61 WeakPolarHBondContact O-CG1 3.42Å; E57-I61 PolarHBondContact O-N 3.27Å
58G70.3Confident69.6Low42 Ų4292.4 Ų92.443%0.43349%0.486SS..Hα-helixtrans-66.5-40173.700000112.7D56 A62D56-G58 PolarHBondContact O-N 3.32Å; D56-G58 WeakPolarHBondContact OD1-CA 3.33Å; D56-G58 PolarHBondContact OD1-N 3.07Å; G58-A62 WeakPolarHBondContact O-CB 3.34Å; G58-A62 PolarHBondContact O-N 3.19Å
59H72.2Confident70.5Confident78 Ų7889.5 Ų89.536%0.36147%0.474SS..Hα-helixtrans-65.4-43.1174.5-172.870.5000111.7D56 A62 V63D56-H59 HydrophobicContact CB-CB 3.81Å; D56-H59 WeakPolarHBondContact O-CB 3.45Å; D56-H59 PolarHBondContact O-N 3.33Å; D56-H59 VanDerWaalsContact O-N 3.07Å; D56-H59 PolarHBondContact OD1-N 3.09Å; H59-A62 PolarHBondContact O-N 3.28Å; H59-V63 WeakPolarHBondContact O-CG2 3.3Å; H59-V63 PolarHBondContact O-N 3.33Å
60S70.5Confident71.7Confident48 Ų4888.5 Ų88.534%0.33647%0.468SS..Hα-helixtrans-59.9-47.9176.1-170.80000112.3C53 D56 E57 A62 V63 Q64C53-S60 WeakPolarHBondContact O-CB 3.38Å; D56-S60 PolarHBondContact O-N 2.75Å; D56-S60 VanDerWaalsContact O-N 3.09Å; E57-S60 PolarHBondContact O-N 2.87Å; S60-A62 VanDerWaalsContact C-N 3.3Å; S60-A62 PolarHBondContact O-N 3.45Å; S60-V63 PolarHBondContact O-N 3.22Å; S60-Q64 PolarHBondContact O-N 3.45Å
61I76.8Confident72.8Confident69 Ų6991.1 Ų91.135%0.35447%0.474SS..Hα-helixtrans-62.4-38.4176.3-68.1165.8000111E57 Q64 R65E57-I61 HydrophobicContact CG-CD1 4.16Å; E57-I61 WeakPolarHBondContact O-CB 3.17Å; E57-I61 WeakPolarHBondContact O-CD1 3.29Å; E57-I61 VanDerWaalsContact O-CG1 3.24Å; E57-I61 WeakPolarHBondContact O-CG1 3.42Å; E57-I61 PolarHBondContact O-N 3.27Å; I61-Q64 PolarHBondContact O-N 3.29Å; I61-R65 HydrophobicContact CG2-CG 4.4Å; I61-R65 WeakPolarHBondContact O-CB 3.47Å; I61-R65 VanDerWaalsContact O-CG 3.32Å; I61-R65 WeakPolarHBondContact O-CG 3.49Å; I61-R65 PolarHBondContact O-N 2.81Å
62A78.3Confident73.9Confident54 Ų5490.6 Ų90.645%0.44647%0.468SS..Hα-helixtrans-65.1-43.5177.400000112.1G58 H59 S60 R65 H66G58-A62 WeakPolarHBondContact O-CB 3.34Å; G58-A62 PolarHBondContact O-N 3.19Å; H59-A62 PolarHBondContact O-N 3.28Å; S60-A62 VanDerWaalsContact C-N 3.3Å; S60-A62 PolarHBondContact O-N 3.45Å; A62-R65 PolarHBondContact O-N 2.82Å; A62-H66 WeakPolarHBondContact O-CB 3.23Å; A62-H66 PolarHBondContact O-N 3.4Å
63V79.1Confident75.1Confident55 Ų5590.2 Ų90.233%0.33346%0.46SS..Hα-helixtrans-62.4-43.2174.9171.70000110.8H59 S60 H66 N67H59-V63 WeakPolarHBondContact O-CG2 3.3Å; H59-V63 PolarHBondContact O-N 3.33Å; S60-V63 PolarHBondContact O-N 3.22Å; V63-H66 PolarHBondContact O-N 2.96Å; V63-N67 VanDerWaalsContact O-CG 3.31Å; V63-N67 PolarHBondContact O-N 3.4Å; V63-N67 PolarHBondContact O-ND2 3.5Å
64Q81Confident76.5Confident114 Ų11495 Ų9553%0.53347%0.474SS..Hα-helixtrans-63.4-47.1178.1-171.1175.3-9.100111.9S60 I61 H66 N67 E68S60-Q64 PolarHBondContact O-N 3.45Å; I61-Q64 PolarHBondContact O-N 3.29Å; Q64-H66 VanDerWaalsContact C-N 3.3Å; Q64-H66 PolarHBondContact O-N 3.06Å; Q64-N67 PolarHBondContact O-N 3.46Å; Q64-E68 WeakPolarHBondContact O-CG 3.48Å; Q64-E68 PolarHBondContact O-N 3.02Å
65R82.1Confident77.9Confident176 Ų17693.3 Ų93.366%0.66447%0.466SS*.Hα-helixtrans-60-40175.2-75176.6-179.2171.32.7112.2I61 A62 E68 L69I61-R65 HydrophobicContact CG2-CG 4.4Å; I61-R65 WeakPolarHBondContact O-CB 3.47Å; I61-R65 VanDerWaalsContact O-CG 3.32Å; I61-R65 WeakPolarHBondContact O-CG 3.49Å; I61-R65 PolarHBondContact O-N 2.81Å; A62-R65 PolarHBondContact O-N 2.82Å; R65-E68 PolarHBondContact O-N 3.19Å; R65-L69 WeakPolarHBondContact O-CB 3.33Å; R65-L69 PolarHBondContact O-N 2.96Å
66H80.9Confident79.1Confident115 Ų11586.4 Ų86.453%0.53243%0.43SS..Hα-helixtrans-63.2-46.5176-177.573.9000111.5A62 V63 Q64 E68 L69 V70A62-H66 WeakPolarHBondContact O-CB 3.23Å; A62-H66 PolarHBondContact O-N 3.4Å; V63-H66 PolarHBondContact O-N 2.96Å; Q64-H66 VanDerWaalsContact C-N 3.3Å; Q64-H66 PolarHBondContact O-N 3.06Å; H66-E68 VanDerWaalsContact C-N 3.35Å; H66-E68 PolarHBondContact O-N 3.23Å; H66-L69 WeakPolarHBondContact O-CB 3.46Å; H66-L69 PolarHBondContact O-N 3.28Å; H66-V70 WeakPolarHBondContact O-CG2 3.4Å; H66-V70 PolarHBondContact O-N 3.4Å
67N84.6Confident79.8Confident94 Ų9484 Ų8450%0.50342%0.416SS..Hα-helixtrans-63.4-38.7178.5-71.6-23.1000112.6V63 Q64 V70 K71V63-N67 VanDerWaalsContact O-CG 3.31Å; V63-N67 PolarHBondContact O-N 3.4Å; V63-N67 PolarHBondContact O-ND2 3.5Å; Q64-N67 PolarHBondContact O-N 3.46Å; N67-V70 PolarHBondContact O-N 3.32Å; N67-K71 WeakPolarHBondContact O-CB 3.38Å; N67-K71 PolarHBondContact O-N 3.04Å
68E84.2Confident80.5Confident105 Ų10578 Ų7849%0.49139%0.392SS..Hα-helixtrans-63-42.6173.6-74.3174.9-174.500111.9Q64 R65 H66 K71 K72Q64-E68 WeakPolarHBondContact O-CG 3.48Å; Q64-E68 PolarHBondContact O-N 3.02Å; R65-E68 PolarHBondContact O-N 3.19Å; H66-E68 VanDerWaalsContact C-N 3.35Å; H66-E68 PolarHBondContact O-N 3.23Å; E68-K71 PolarHBondContact O-N 3.18Å; E68-K72 WeakPolarHBondContact O-CG 3.44Å; E68-K72 PolarHBondContact O-N 3.07Å
69L80.9Confident81.3Confident84 Ų8477 Ų7744%0.4438%0.376SS..Hα-helixtrans-63.3-44174.5-177.566.6000111.5R65 H66 K71 K72 N73R65-L69 WeakPolarHBondContact O-CB 3.33Å; R65-L69 PolarHBondContact O-N 2.96Å; H66-L69 WeakPolarHBondContact O-CB 3.46Å; H66-L69 PolarHBondContact O-N 3.28Å; L69-K71 VanDerWaalsContact C-N 3.3Å; L69-K71 PolarHBondContact O-N 3.06Å; L69-K72 PolarHBondContact O-N 3.12Å; L69-N73 WeakPolarHBondContact O-CB 3.43Å; L69-N73 PolarHBondContact O-N 3.14Å; L69-N73 PolarHBondContact O-OD1 2.77Å
70V82.6Confident81.8Confident48 Ų4873.3 Ų73.329%0.29136%0.359SS..Hα-helixtrans-58.1-45175.3170.70000110.2H66 N67 K72 N73 R74H66-V70 WeakPolarHBondContact O-CG2 3.4Å; H66-V70 PolarHBondContact O-N 3.4Å; N67-V70 PolarHBondContact O-N 3.32Å; V70-K72 PolarHBondContact O-N 3.3Å; V70-N73 PolarHBondContact O-N 3.28Å; V70-R74 HydrophobicContact CG1-CG 4.29Å; V70-R74 VanDerWaalsContact O-CG 3.29Å; V70-R74 WeakPolarHBondContact O-CG 3.35Å; V70-R74 PolarHBondContact O-N 2.54Å
71K84Confident82.5Confident162 Ų16271.1 Ų71.170%0.70434%0.343SS*.Hα-helixtrans-60-45.6178.3-171.1177.4-179.7-179.90112.2N67 E68 L69 R74 H75N67-K71 WeakPolarHBondContact O-CB 3.38Å; N67-K71 PolarHBondContact O-N 3.04Å; E68-K71 PolarHBondContact O-N 3.18Å; L69-K71 VanDerWaalsContact C-N 3.3Å; L69-K71 PolarHBondContact O-N 3.06Å; K71-R74 PolarHBondContact O-N 3.26Å; K71-H75 PolarHBondContact O-N 3.01Å
72K82.4Confident82.8Confident92 Ų9270.7 Ų70.740%0.434%0.342SS..Hα-helixtrans-62.1-44.3175.7-70.7-177.2178.7-167.70112E68 L69 V70 R74 H75 A76E68-K72 WeakPolarHBondContact O-CG 3.44Å; E68-K72 PolarHBondContact O-N 3.07Å; L69-K72 PolarHBondContact O-N 3.12Å; V70-K72 PolarHBondContact O-N 3.3Å; K72-R74 PolarHBondContact O-N 3.36Å; K72-H75 WeakPolarHBondContact O-CB 3.19Å; K72-H75 PolarHBondContact O-N 2.94Å; K72-A76 PolarHBondContact O-N 2.97Å
73N81.6Confident83.1Confident38 Ų3868.2 Ų68.220%0.20332%0.321CS..Hα-helixtrans-63.6-41178.8-68.3-8.3000111.9L69 V70 H75 A76 L77 H126L69-N73 WeakPolarHBondContact O-CB 3.43Å; L69-N73 PolarHBondContact O-N 3.14Å; L69-N73 PolarHBondContact O-OD1 2.77Å; V70-N73 PolarHBondContact O-N 3.28Å; N73-H75 VanDerWaalsContact C-N 3.35Å; N73-A76 PolarHBondContact O-N 3.07Å; N73-L77 WeakPolarHBondContact O-CG 2.95Å; N73-L77 PolarHBondContact O-N 3.49Å; N73-H126 PolarHBondContact OD1-ND1 3.46Å; N73-H126 VanDerWaalsContact OD1-ND1 3.15Å
74R84.3Confident83.2Confident130 Ų13065.7 Ų65.749%0.49131%0.306SS..Hα-helixtrans-61.8-43.1175-70.8-172.8173.8-127.8-6.7111.3V70 K71 K72 L77 S78 I531V70-R74 HydrophobicContact CG1-CG 4.29Å; V70-R74 VanDerWaalsContact O-CG 3.29Å; V70-R74 WeakPolarHBondContact O-CG 3.35Å; V70-R74 PolarHBondContact O-N 2.54Å; K71-R74 PolarHBondContact O-N 3.26Å; K72-R74 PolarHBondContact O-N 3.36Å; R74-L77 PolarHBondContact O-N 2.64Å; R74-S78 PolarHBondContact O-N 3.44Å; R74-I531 HydrophobicContact CB-CG2 3.98Å; R74-I531 HydrophobicContact CG-CG2 3.58Å; R74-I531 WeakPolarHBondContact O-CD1 3.16Å
75H84.9Confident83.2Confident66 Ų6662.4 Ų62.431%0.30629%0.29SS..Hα-helixtrans-59.8-49176.3-17772.4000112.1K71 K72 N73 L77 S78 Q79 D120K71-H75 PolarHBondContact O-N 3.01Å; K72-H75 WeakPolarHBondContact O-CB 3.19Å; K72-H75 PolarHBondContact O-N 2.94Å; N73-H75 VanDerWaalsContact C-N 3.35Å; H75-L77 VanDerWaalsContact C-N 3.33Å; H75-L77 PolarHBondContact O-N 3.19Å; H75-S78 WeakPolarHBondContact O-CB 3.3Å; H75-S78 PolarHBondContact O-N 2.87Å; H75-S78 VanDerWaalsContact O-N 3.12Å; H75-Q79 PolarHBondContact O-N 2.89Å; H75-D120 IonicContact CD2-OD2 3.33Å; H75-D120 IonicContact CE1-OD2 3.88Å; H75-D120 IonicContact NE2-OD1 2.91Å; H75-D120 IonicContact NE2-OD2 3.88Å; H75-D120 PolarHBondContact NE2-OD2 3.41Å
76A81.9Confident83.2Confident0 Ų058.3 Ų58.30%028%0.277CS..Hα-helixtrans-60.1-41.2177.200000112.7K72 N73 S78 Q79 I80 L123 H126K72-A76 PolarHBondContact O-N 2.97Å; N73-A76 PolarHBondContact O-N 3.07Å; A76-S78 PolarHBondContact O-N 2.96Å; A76-Q79 PolarHBondContact O-N 3.32Å; A76-I80 WeakPolarHBondContact O-CG1 3.27Å; A76-I80 PolarHBondContact O-N 2.85Å; A76-I80 VanDerWaalsContact O-N 3.14Å; A76-L123 HydrophobicContact CB-CD1 3.75Å; A76-H126 HydrophobicContact CB-CB 3.71Å; A76-H126 VanDerWaalsContact CB-CG 3.42Å
77L83.6Confident83.1Confident37 Ų3752.9 Ų52.919%0.19425%0.252CS..Hα-helixtrans-62.4-40.7174.7-74.5172.3000112.2N73 R74 H75 Q79 I80 L81 C135 L144 I531N73-L77 WeakPolarHBondContact O-CG 2.95Å; N73-L77 PolarHBondContact O-N 3.49Å; R74-L77 PolarHBondContact O-N 2.64Å; H75-L77 VanDerWaalsContact C-N 3.33Å; H75-L77 PolarHBondContact O-N 3.19Å; L77-Q79 VanDerWaalsContact C-N 3.31Å; L77-Q79 PolarHBondContact O-N 3.4Å; L77-I80 PolarHBondContact O-N 2.95Å; L77-L81 WeakPolarHBondContact O-CG 3.42Å; L77-L81 PolarHBondContact O-N 3.03Å; L77-C135 HydrophobicContact CD2-CB 4.22Å; L77-C135 WeakPolarHBondContact CD2-SG 3.39Å; L77-L144 HydrophobicContact CD2-CD2 4.3Å; L77-I531 HydrophobicContact CB-CD1 3.93Å; L77-I531 HydrophobicContact CB-CG1 3.99Å; L77-I531 HydrophobicContact CD1-CG2 4.18Å
78S85.6Confident82.6Confident30 Ų3049.4 Ų49.421%0.2123%0.232CC..Hα-helixtrans-58.2-44176.8-175.60000111.5R74 H75 A76 I80 L81 D82 N527R74-S78 PolarHBondContact O-N 3.44Å; H75-S78 WeakPolarHBondContact O-CB 3.3Å; H75-S78 PolarHBondContact O-N 2.87Å; H75-S78 VanDerWaalsContact O-N 3.12Å; A76-S78 PolarHBondContact O-N 2.96Å; S78-I80 PolarHBondContact O-N 2.85Å; S78-L81 WeakPolarHBondContact O-CB 3.46Å; S78-L81 PolarHBondContact O-N 3.23Å; S78-D82 PolarHBondContact O-N 2.95Å; S78-N527 PolarHBondContact OG-ND2 3.43Å
79Q85.2Confident82Confident23 Ų2346.6 Ų46.611%0.10723%0.226CC..Hα-helixtrans-67.5-37.6179.2-64.6-175.9-57.500112.9H75 A76 L77 L81 D82 C83 D120 L123H75-Q79 PolarHBondContact O-N 2.89Å; A76-Q79 PolarHBondContact O-N 3.32Å; L77-Q79 VanDerWaalsContact C-N 3.31Å; L77-Q79 PolarHBondContact O-N 3.4Å; Q79-L81 VanDerWaalsContact C-N 3.32Å; Q79-D82 PolarHBondContact O-N 3.38Å; Q79-C83 PolarHBondContact O-N 2.96Å; Q79-C83 PolarHBondContact O-SG 3.05Å; Q79-D120 VanDerWaalsContact CD-OD2 3.3Å; Q79-D120 PolarHBondContact NE2-OD2 2.66Å; Q79-D120 PolarHBondContact OE1-OD2 2.73Å; Q79-L123 HydrophobicContact CB-CD2 4.44Å
80I83.5Confident81.6Confident0 Ų047.9 Ų47.90%023%0.23CC..Hα-helixtrans-64.2-40.5173.8-67172.6000110.3A76 L77 S78 D82 C83 I84 F109 C135 L144A76-I80 WeakPolarHBondContact O-CG1 3.27Å; A76-I80 PolarHBondContact O-N 2.85Å; A76-I80 VanDerWaalsContact O-N 3.14Å; L77-I80 PolarHBondContact O-N 2.95Å; S78-I80 PolarHBondContact O-N 2.85Å; I80-D82 VanDerWaalsContact C-N 3.32Å; I80-D82 PolarHBondContact O-N 3.41Å; I80-C83 WeakPolarHBondContact O-CB 3.38Å; I80-C83 PolarHBondContact O-N 3.29Å; I80-I84 HydrophobicContact CG2-CD1 4.45Å; I80-I84 WeakPolarHBondContact O-CG1 3.13Å; I80-I84 PolarHBondContact O-N 2.83Å; I80-F109 HydrophobicContact CG2-CZ 4.08Å; I80-C135 HydrophobicContact CD1-CB 3.78Å; I80-L144 HydrophobicContact CG2-CD1 4.18Å
81L84.5Confident81Confident1 Ų150.4 Ų50.41%0.00524%0.241CC..Hα-helixtrans-61.5-40.2174.1-71.5173.1000111.7L77 S78 Q79 C83 I84 K85 L144 I148 N527 V530 I531L77-L81 WeakPolarHBondContact O-CG 3.42Å; L77-L81 PolarHBondContact O-N 3.03Å; S78-L81 WeakPolarHBondContact O-CB 3.46Å; S78-L81 PolarHBondContact O-N 3.23Å; Q79-L81 VanDerWaalsContact C-N 3.32Å; L81-C83 VanDerWaalsContact C-N 3.34Å; L81-C83 PolarHBondContact O-N 3.4Å; L81-I84 WeakPolarHBondContact O-CB 3.29Å; L81-I84 PolarHBondContact O-N 2.7Å; L81-I84 VanDerWaalsContact O-N 3.12Å; L81-K85 WeakPolarHBondContact O-CG 3.46Å; L81-K85 PolarHBondContact O-N 3.44Å; L81-L144 HydrophobicContact CD2-CD2 4.38Å; L81-I148 HydrophobicContact CD2-CD1 3.66Å; L81-I148 HydrophobicContact CD2-CG1 3.97Å; L81-N527 HydrophobicContact CD1-CB 4.22Å; L81-V530 HydrophobicContact CD1-CB 3.92Å; L81-V530 HydrophobicContact CD1-CG1 3.74Å; L81-V530 HydrophobicContact CD2-CG1 3.81Å; L81-V530 HydrophobicContact CG-CG1 4.45Å; L81-I531 HydrophobicContact CD1-CD1 4.05Å; L81-I531 HydrophobicContact CD1-CG1 3.85Å
82D83.9Confident80.4Confident61 Ų6145.3 Ų45.333%0.32622%0.222SC..Hα-helixtrans-65.7-36.9176.8-64.7-29.8000112S78 Q79 I80 I84 K85 F86 N527S78-D82 PolarHBondContact O-N 2.95Å; Q79-D82 PolarHBondContact O-N 3.38Å; I80-D82 VanDerWaalsContact C-N 3.32Å; I80-D82 PolarHBondContact O-N 3.41Å; D82-I84 VanDerWaalsContact C-N 3.33Å; D82-I84 PolarHBondContact O-N 3.01Å; D82-K85 PolarHBondContact O-N 2.87Å; D82-K85 IonicContact OD1-NZ 2.73Å; D82-F86 WeakPolarHBondContact O-CB 3.31Å; D82-F86 PolarHBondContact O-N 3.14Å; D82-N527 PolarHBondContact OD1-ND2 2.94Å
83C85.1Confident79.8Confident1 Ų144.5 Ų44.51%0.00722%0.224CC..Hα-helixtrans-61.1-41170.2-64.20000111.9Q79 I80 L81 F86 C87 F109 V113 F116Q79-C83 PolarHBondContact O-N 2.96Å; Q79-C83 PolarHBondContact O-SG 3.05Å; I80-C83 WeakPolarHBondContact O-CB 3.38Å; I80-C83 PolarHBondContact O-N 3.29Å; L81-C83 VanDerWaalsContact C-N 3.34Å; L81-C83 PolarHBondContact O-N 3.4Å; C83-F86 PolarHBondContact O-N 3.48Å; C83-C87 PolarHBondContact O-N 2.92Å; C83-C87 PolarHBondContact O-SG 2.95Å; C83-F109 HydrophobicContact CB-CD2 4.2Å; C83-F109 HydrophobicContact CB-CE2 3.89Å; C83-V113 HydrophobicContact CB-CG2 4.08Å; C83-F116 WeakPolarHBondContact SG-CD2 3.4Å
84I81.4Confident79.2Confident2 Ų242.9 Ų42.91%0.0122%0.216CC..Hα-helixtrans-63.7-48.5176.4-67.2172.4000110.2I80 L81 D82 F86 C87 R88 L94 F109 L144 L145 I148I80-I84 HydrophobicContact CG2-CD1 4.45Å; I80-I84 WeakPolarHBondContact O-CG1 3.13Å; I80-I84 PolarHBondContact O-N 2.83Å; L81-I84 WeakPolarHBondContact O-CB 3.29Å; L81-I84 PolarHBondContact O-N 2.7Å; L81-I84 VanDerWaalsContact O-N 3.12Å; D82-I84 VanDerWaalsContact C-N 3.33Å; D82-I84 PolarHBondContact O-N 3.01Å; I84-F86 VanDerWaalsContact C-N 3.34Å; I84-F86 PolarHBondContact O-N 3.44Å; I84-C87 PolarHBondContact O-N 3.48Å; I84-R88 HydrophobicContact CG2-CG 4.5Å; I84-R88 WeakPolarHBondContact O-CG 3.29Å; I84-R88 PolarHBondContact O-N 3.44Å; I84-L94 HydrophobicContact CB-CD2 4.35Å; I84-L94 HydrophobicContact CG1-CD2 4.03Å; I84-L94 HydrophobicContact CG2-CD1 4.29Å; I84-L94 HydrophobicContact CG2-CD2 4.32Å; I84-F109 HydrophobicContact CG1-CD2 4.39Å; I84-F109 HydrophobicContact CG1-CE2 3.64Å; I84-F109 HydrophobicContact CG1-CZ 4.28Å; I84-L144 HydrophobicContact CD1-CB 4.46Å; I84-L144 HydrophobicContact CD1-CD1 4.49Å; I84-L145 HydrophobicContact CG2-CD2 4.24Å; I84-I148 HydrophobicContact CG2-CD1 4.21Å
85K79.8Confident78.4Confident46 Ų4640 Ų4020%0.221%0.205CC..Hα-helixtrans-58.1-45.3177.5-70.4175-173.61730111.7L81 D82 R88 A89 I520 F526 N527L81-K85 WeakPolarHBondContact O-CG 3.46Å; L81-K85 PolarHBondContact O-N 3.44Å; D82-K85 PolarHBondContact O-N 2.87Å; D82-K85 IonicContact OD1-NZ 2.73Å; K85-R88 PolarHBondContact O-N 3.5Å; K85-A89 WeakPolarHBondContact O-CB 3.5Å; K85-A89 PolarHBondContact O-N 3.39Å; K85-I520 HydrophobicContact CD-CG2 3.8Å; K85-I520 HydrophobicContact CG-CD1 4.45Å; K85-I520 HydrophobicContact CG-CG2 4.34Å; K85-F526 VanDerWaalsContact CE-CD1 3.41Å; K85-N527 WeakPolarHBondContact CE-OD1 3.24Å; K85-N527 PolarHBondContact NZ-OD1 3.16Å
86F82.3Confident77.4Confident90 Ų9037.9 Ų37.940%0.39520%0.201SC..Hα-helixtrans-58.8-50.1176.7179.8-88000111.3D82 C83 I84 R88 A89 H90 L92 L112D82-F86 WeakPolarHBondContact O-CB 3.31Å; D82-F86 PolarHBondContact O-N 3.14Å; C83-F86 PolarHBondContact O-N 3.48Å; I84-F86 VanDerWaalsContact C-N 3.34Å; I84-F86 PolarHBondContact O-N 3.44Å; F86-R88 PolarHBondContact O-N 3.44Å; F86-A89 PolarHBondContact O-N 3.07Å; F86-H90 AromaticContact CD2-CD2 3.7Å; F86-H90 AromaticContact CD2-NE2 3.81Å; F86-H90 AromaticContact CE1-CD2 3.87Å; F86-H90 AromaticContact CE2-CD2 3.45Å; F86-H90 VanDerWaalsContact CE2-CD2 3.45Å; F86-H90 WeakPolarHBondContact CE2-CD2 3.28Å; F86-H90 AromaticContact CE2-NE2 3.35Å; F86-H90 VanDerWaalsContact CE2-NE2 3.35Å; F86-H90 WeakPolarHBondContact CE2-NE2 3.35Å; F86-H90 AromaticContact CZ-CD2 3.54Å; F86-H90 AromaticContact CZ-NE2 3.77Å; F86-H90 PolarHBondContact O-CD2 2.96Å; F86-H90 VanDerWaalsContact O-CD2 3.28Å; F86-H90 PolarHBondContact O-N 3.39Å; F86-L92 HydrophobicContact CD1-CD1 4.41Å; F86-L92 HydrophobicContact CE1-CD1 3.93Å; F86-L112 HydrophobicContact CD1-CD1 3.43Å; F86-L112 VanDerWaalsContact CD1-CD1 3.43Å; F86-L112 HydrophobicContact CD1-CD2 4.08Å; F86-L112 HydrophobicContact CD1-CG 4.43Å; F86-L112 HydrophobicContact CE1-CD1 3.82Å; F86-L112 HydrophobicContact CE1-CD2 4.04Å; F86-L112 HydrophobicContact CG-CD1 4.45Å
87C78.5Confident76.5Confident0 Ų044.7 Ų44.70%025%0.249CC..Hα-helixtrans-57.4-37.7178.3-68.70000111.7C83 I84 D91 L92 L94 L112C83-C87 PolarHBondContact O-N 2.92Å; C83-C87 PolarHBondContact O-SG 2.95Å; I84-C87 PolarHBondContact O-N 3.48Å; C87-D91 PolarHBondContact O-N 2.88Å; C87-L92 HydrophobicContact CB-CB 4.29Å; C87-L92 WeakPolarHBondContact O-CA 3.28Å; C87-L92 WeakPolarHBondContact O-CB 3.5Å; C87-L92 PolarHBondContact O-N 3.48Å; C87-L94 HydrophobicContact CB-CD2 3.81Å; C87-L94 HydrophobicContact CB-CG 4.41Å; C87-L112 VanDerWaalsContact SG-CD1 3.57Å
88R74.4Confident75.5Confident22 Ų2246.7 Ų46.78%0.08326%0.26CS..Hα-helixtrans-72.7-44178.8-65.3-61.3108.7-160-3.9112.7I84 K85 F86 H90 D91 L92 L94 L513I84-R88 HydrophobicContact CG2-CG 4.5Å; I84-R88 WeakPolarHBondContact O-CG 3.29Å; I84-R88 PolarHBondContact O-N 3.44Å; K85-R88 PolarHBondContact O-N 3.5Å; F86-R88 PolarHBondContact O-N 3.44Å; R88-H90 PolarHBondContact O-N 3.03Å; R88-H90 VanDerWaalsContact O-N 3.15Å; R88-D91 PolarHBondContact O-N 3.29Å; R88-D91 VanDerWaalsContact O-N 3.08Å; R88-L92 PolarHBondContact NH2-O 3.45Å; R88-L94 VanDerWaalsContact NH2-CG 3.32Å; R88-L94 VanDerWaalsContact NH2-N 3.16Å; R88-L513 HydrophobicContact CG-CB 4.09Å; R88-L513 HydrophobicContact CG-CD1 4.16Å
89A71.4Confident74.9Confident45 Ų4548.5 Ų48.537%0.37227%0.265SS..Hα-helixtrans-59.3-26.8179.400000113.1K85 F86K85-A89 WeakPolarHBondContact O-CB 3.5Å; K85-A89 PolarHBondContact O-N 3.39Å; F86-A89 PolarHBondContact O-N 3.07Å
90H72.6Confident74.2Confident112 Ų11249.3 Ų49.352%0.51927%0.273SS..THydrogen-bonded Turntrans-106.111.1179.8-66.6-75.1000114.2F86 R88 L92F86-H90 AromaticContact CD2-CD2 3.7Å; F86-H90 AromaticContact CD2-NE2 3.81Å; F86-H90 AromaticContact CE1-CD2 3.87Å; F86-H90 AromaticContact CE2-CD2 3.45Å; F86-H90 VanDerWaalsContact CE2-CD2 3.45Å; F86-H90 WeakPolarHBondContact CE2-CD2 3.28Å; F86-H90 AromaticContact CE2-NE2 3.35Å; F86-H90 VanDerWaalsContact CE2-NE2 3.35Å; F86-H90 WeakPolarHBondContact CE2-NE2 3.35Å; F86-H90 AromaticContact CZ-CD2 3.54Å; F86-H90 AromaticContact CZ-NE2 3.77Å; F86-H90 PolarHBondContact O-CD2 2.96Å; F86-H90 VanDerWaalsContact O-CD2 3.28Å; F86-H90 PolarHBondContact O-N 3.39Å; R88-H90 PolarHBondContact O-N 3.03Å; R88-H90 VanDerWaalsContact O-N 3.15Å; H90-L92 HydrophobicContact CB-CD1 3.7Å; H90-L92 HydrophobicContact CB-CG 3.74Å; H90-L92 PolarHBondContact O-N 2.89Å
91D69.4Low73.4Confident101 Ų10154.1 Ų54.154%0.5431%0.307SS..THydrogen-bonded Turntrans54.333-177.7-16125.7000114.1C87 R88 F514C87-D91 PolarHBondContact O-N 2.88Å; R88-D91 PolarHBondContact O-N 3.29Å; R88-D91 VanDerWaalsContact O-N 3.08Å; D91-F514 HydrophobicContact CB-CE2 4.35Å
92L72.6Confident72.4Confident55 Ų5559.2 Ų59.229%0.28834%0.342SS..  trans-86.8146.9-179.3-56.8172.2000110.2F86 C87 R88 H90 L94 V108F86-L92 HydrophobicContact CD1-CD1 4.41Å; F86-L92 HydrophobicContact CE1-CD1 3.93Å; C87-L92 HydrophobicContact CB-CB 4.29Å; C87-L92 WeakPolarHBondContact O-CA 3.28Å; C87-L92 WeakPolarHBondContact O-CB 3.5Å; C87-L92 PolarHBondContact O-N 3.48Å; R88-L92 PolarHBondContact NH2-O 3.45Å; H90-L92 HydrophobicContact CB-CD1 3.7Å; H90-L92 HydrophobicContact CB-CG 3.74Å; H90-L92 PolarHBondContact O-N 2.89Å; L92-L94 PolarHBondContact O-N 3.28Å; L92-V108 HydrophobicContact CB-CG1 4.15Å; L92-V108 HydrophobicContact CD1-CG1 3.68Å; L92-V108 HydrophobicContact CG-CG1 4.38Å
93T68.9Low71.8Confident74 Ų7457.4 Ų57.445%0.45433%0.334SS..  trans-72.1131.6176.555.60000110.4R95T93-R95 WeakPolarHBondContact CB-O 3.35Å; T93-R95 PolarHBondContact O-N 3.26Å; T93-R95 PolarHBondContact OG1-O 3.27Å; T93-R95 VanDerWaalsContact OG1-O 3.05Å
94L68.8Low70.6Confident5 Ų566.8 Ų66.83%0.02638%0.381CS..SBendtrans-71.4-11.6172.5-80.6168.8000112.8I84 C87 R88 L92 F109 L145 L510I84-L94 HydrophobicContact CB-CD2 4.35Å; I84-L94 HydrophobicContact CG1-CD2 4.03Å; I84-L94 HydrophobicContact CG2-CD1 4.29Å; I84-L94 HydrophobicContact CG2-CD2 4.32Å; C87-L94 HydrophobicContact CB-CD2 3.81Å; C87-L94 HydrophobicContact CB-CG 4.41Å; R88-L94 VanDerWaalsContact NH2-CG 3.32Å; R88-L94 VanDerWaalsContact NH2-N 3.16Å; L92-L94 PolarHBondContact O-N 3.28Å; L94-F109 HydrophobicContact CD2-CB 4.2Å; L94-F109 HydrophobicContact CD2-CD2 3.53Å; L94-F109 HydrophobicContact CD2-CE2 4.13Å; L94-F109 HydrophobicContact CD2-CG 3.94Å; L94-F109 WeakPolarHBondContact O-CB 3.35Å; L94-L145 HydrophobicContact CD1-CD1 4.24Å; L94-L145 HydrophobicContact CD1-CD2 4.2Å; L94-L510 HydrophobicContact CD1-CD2 3.72Å
95R68.1Low69.8Low68 Ų6872 Ų7226%0.25741%0.409SS..SBendtrans-122.5141.8-180-68.9-166.4-171.2150.912.1111T93 E99 K138 N142T93-R95 WeakPolarHBondContact CB-O 3.35Å; T93-R95 PolarHBondContact O-N 3.26Å; T93-R95 PolarHBondContact OG1-O 3.27Å; T93-R95 VanDerWaalsContact OG1-O 3.05Å; R95-E99 WeakPolarHBondContact CA-OE1 3.37Å; R95-K138 VanDerWaalsContact NH1-CE 3.3Å; R95-N142 PolarHBondContact NH2-OD1 2.8Å
96G63.9Low69.1Low23 Ų2373.6 Ų73.624%0.23741%0.413CS..  trans-88.2164166.500000111.7D98 E99G96-D98 VanDerWaalsContact C-N 3.34Å; G96-E99 PolarHBondContact N-OE1 3.26Å
97S62.5Low68.6Low143 Ų14369.6 Ų69.6100%140%0.397SS*.SBendtrans-70.9-32.9172.1-49.10000111.8
98D63.6Low68.6Low79 Ų7972 Ų7242%0.42241%0.412SS..  trans-142.1106.7177.2179.94000109.7G96 S100 S103 R106G96-D98 VanDerWaalsContact C-N 3.34Å; D98-S100 WeakPolarHBondContact OD1-CB 3.36Å; D98-S100 PolarHBondContact OD1-N 3.4Å; D98-S100 PolarHBondContact OD1-OG 2.83Å; D98-S100 PolarHBondContact OD2-OG 2.63Å; D98-S103 VanDerWaalsContact O-CB 3.32Å; D98-S103 WeakPolarHBondContact O-CB 3.3Å; D98-S103 PolarHBondContact O-OG 3.24Å; D98-S103 VanDerWaalsContact O-OG 3.06Å; D98-R106 WeakPolarHBondContact O-CA 3.46Å
99E73Confident68.8Low68 Ų6871.1 Ų71.132%0.31841%0.409SS..  trans-94.49.9-178.2-61.3-175.5173.800112.5R95 G96 L110R95-E99 WeakPolarHBondContact CA-OE1 3.37Å; G96-E99 PolarHBondContact N-OE1 3.26Å; E99-L110 HydrophobicContact CB-CD1 3.69Å; E99-L110 HydrophobicContact CG-CD1 3.82Å
100S70.9Confident69.1Low40 Ų4070.1 Ų70.128%0.2840%0.397SS..SBendtrans-65.5154.7-17967.60000112.5D98 S102 S103 R106D98-S100 WeakPolarHBondContact OD1-CB 3.36Å; D98-S100 PolarHBondContact OD1-N 3.4Å; D98-S100 PolarHBondContact OD1-OG 2.83Å; D98-S100 PolarHBondContact OD2-OG 2.63Å; S100-S102 PolarHBondContact O-N 2.94Å; S100-S102 VanDerWaalsContact O-N 3.12Å; S100-S102 PolarHBondContact OG-OG 2.99Å; S100-S102 VanDerWaalsContact OG-OG 3.1Å; S100-S103 WeakPolarHBondContact O-CB 3.45Å; S100-S103 PolarHBondContact O-N 3.39Å; S100-S103 VanDerWaalsContact O-N 3.08Å; S100-S103 PolarHBondContact OG-N 2.73Å; S100-R106 WeakPolarHBondContact O-CD 3.39Å; S100-R106 PolarHBondContact O-NE 3.5Å; S100-R106 VanDerWaalsContact O-NE 3.15Å
101S65.3Low69.3Low101 Ų10167.9 Ų67.971%0.70639%0.389SS*.THydrogen-bonded Turntrans-64-16.3176.555.90000113.6R106S101-R106 VanDerWaalsContact C-NH2 3.31Å; S101-R106 VanDerWaalsContact CA-CZ 3.46Å; S101-R106 PolarHBondContact O-NH2 3.28Å
102S64.6Low69.8Low107 Ų10764.2 Ų64.275%0.74837%0.369SS*.THydrogen-bonded Turntrans-89.6-11.8176.441.70000113.8S100S100-S102 PolarHBondContact O-N 2.94Å; S100-S102 VanDerWaalsContact O-N 3.12Å; S100-S102 PolarHBondContact OG-OG 2.99Å; S100-S102 VanDerWaalsContact OG-OG 3.1Å
103S71Confident70.1Confident23 Ų2361.7 Ų61.716%0.16136%0.356CS..  trans-75.9135.9-177.9175.60000111.7D98 S100 N105 R106D98-S103 VanDerWaalsContact O-CB 3.32Å; D98-S103 WeakPolarHBondContact O-CB 3.3Å; D98-S103 PolarHBondContact O-OG 3.24Å; D98-S103 VanDerWaalsContact O-OG 3.06Å; S100-S103 WeakPolarHBondContact O-CB 3.45Å; S100-S103 PolarHBondContact O-N 3.39Å; S100-S103 VanDerWaalsContact O-N 3.08Å; S100-S103 PolarHBondContact OG-N 2.73Å; S103-N105 VanDerWaalsContact C-N 3.3Å; S103-N105 VanDerWaalsContact OG-C 3.3Å; S103-N105 PolarHBondContact OG-N 2.92Å; S103-N105 PolarHBondContact OG-O 2.94Å; S103-N105 VanDerWaalsContact OG-O 3.13Å; S103-R106 WeakPolarHBondContact O-CG 3.21Å
104M58.7Low70.5Confident199 Ų19961 Ų6198%0.9835%0.349SS*.SBendtrans-74.1-22.3174.1-159.884.3178.900112.2
105N65.7Low70.9Confident111 Ų11166.7 Ų66.759%0.59438%0.376SS*.  trans-131.782.2179.5-176.5-1.3000108.3S103 G107S103-N105 VanDerWaalsContact C-N 3.3Å; S103-N105 VanDerWaalsContact OG-C 3.3Å; S103-N105 PolarHBondContact OG-N 2.92Å; S103-N105 PolarHBondContact OG-O 2.94Å; S103-N105 VanDerWaalsContact OG-O 3.13Å; N105-G107 PolarHBondContact O-N 2.95Å; N105-G107 PolarHBondContact OD1-N 3.45Å
106R65.4Low71.2Confident80 Ų8066.9 Ų66.930%0.30238%0.379SS..  trans-72.9-4.4-177.1-61.7-170.2-171.8165.66.4112.9D98 S100 S101 S103 L110D98-R106 WeakPolarHBondContact O-CA 3.46Å; S100-R106 WeakPolarHBondContact O-CD 3.39Å; S100-R106 PolarHBondContact O-NE 3.5Å; S100-R106 VanDerWaalsContact O-NE 3.15Å; S101-R106 VanDerWaalsContact C-NH2 3.31Å; S101-R106 VanDerWaalsContact CA-CZ 3.46Å; S101-R106 PolarHBondContact O-NH2 3.28Å; S103-R106 WeakPolarHBondContact O-CG 3.21Å; R106-L110 HydrophobicContact CB-CB 4.39Å; R106-L110 HydrophobicContact CB-CD1 4.33Å
107G72.2Confident71.4Confident5 Ų569.2 Ų69.25%0.05238%0.381CS..  trans100.8140.8-179.200000111.6N105 F109 L110 D111N105-G107 PolarHBondContact O-N 2.95Å; N105-G107 PolarHBondContact OD1-N 3.45Å; G107-F109 PolarHBondContact O-N 3.39Å; G107-L110 PolarHBondContact O-N 3.17Å; G107-D111 PolarHBondContact O-N 3.31Å; G107-D111 VanDerWaalsContact O-N 3.11Å
108V76.7Confident71.6Confident52 Ų5270.3 Ų70.332%0.31537%0.368SS..Hα-helixtrans-48.9-41.2-172.1176.90000113.4L92 L112L92-V108 HydrophobicContact CB-CG1 4.15Å; L92-V108 HydrophobicContact CD1-CG1 3.68Å; L92-V108 HydrophobicContact CG-CG1 4.38Å; V108-L112 HydrophobicContact CG1-CD1 3.89Å; V108-L112 WeakPolarHBondContact O-CB 3.41Å; V108-L112 WeakPolarHBondContact O-CD1 3.49Å; V108-L112 VanDerWaalsContact O-CG 3.29Å; V108-L112 WeakPolarHBondContact O-CG 3.33Å; V108-L112 PolarHBondContact O-N 2.9Å
109F79.8Confident71.9Confident3 Ų373.4 Ų73.41%0.01338%0.384CS..Hα-helixtrans-64.7-45.6179.5172.9-103.4000113.1I80 C83 I84 L94 G107 D111 L112 V113 Q141I80-F109 HydrophobicContact CG2-CZ 4.08Å; C83-F109 HydrophobicContact CB-CD2 4.2Å; C83-F109 HydrophobicContact CB-CE2 3.89Å; I84-F109 HydrophobicContact CG1-CD2 4.39Å; I84-F109 HydrophobicContact CG1-CE2 3.64Å; I84-F109 HydrophobicContact CG1-CZ 4.28Å; L94-F109 HydrophobicContact CD2-CB 4.2Å; L94-F109 HydrophobicContact CD2-CD2 3.53Å; L94-F109 HydrophobicContact CD2-CE2 4.13Å; L94-F109 HydrophobicContact CD2-CG 3.94Å; L94-F109 WeakPolarHBondContact O-CB 3.35Å; G107-F109 PolarHBondContact O-N 3.39Å; F109-D111 VanDerWaalsContact C-N 3.34Å; F109-L112 PolarHBondContact O-N 3.02Å; F109-V113 HydrophobicContact CD2-CG2 4.45Å; F109-V113 HydrophobicContact CE1-CG2 4.2Å; F109-V113 HydrophobicContact CE2-CG2 3.98Å; F109-V113 HydrophobicContact CZ-CG2 3.85Å; F109-V113 WeakPolarHBondContact O-CG2 3.33Å; F109-V113 PolarHBondContact O-N 3.42Å; F109-Q141 HydrophobicContact CE1-CG 4.27Å
110L77.1Confident72Confident23 Ų2371.4 Ų71.412%0.1238%0.375CS..Hα-helixtrans-69.2-36.8179.6-70.8178.8000111.1E99 R106 G107 V113 N114 T136E99-L110 HydrophobicContact CB-CD1 3.69Å; E99-L110 HydrophobicContact CG-CD1 3.82Å; R106-L110 HydrophobicContact CB-CB 4.39Å; R106-L110 HydrophobicContact CB-CD1 4.33Å; G107-L110 PolarHBondContact O-N 3.17Å; L110-V113 PolarHBondContact O-N 3.42Å; L110-N114 WeakPolarHBondContact O-CB 3.35Å; L110-N114 PolarHBondContact O-N 3.45Å; L110-N114 PolarHBondContact O-ND2 2.86Å; L110-N114 VanDerWaalsContact O-ND2 3.08Å; L110-T136 HydrophobicContact CD2-CG2 4.09Å
111D76.9Confident72.1Confident65 Ų6573.8 Ų73.835%0.34839%0.392SS..Hα-helixtrans-66.7-38.7176.7-65.3-25.2000111.7G107 F109 N114 Q115G107-D111 PolarHBondContact O-N 3.31Å; G107-D111 VanDerWaalsContact O-N 3.11Å; F109-D111 VanDerWaalsContact C-N 3.34Å; D111-N114 PolarHBondContact O-N 2.83Å; D111-Q115 WeakPolarHBondContact O-CB 3.46Å; D111-Q115 PolarHBondContact O-N 3.46Å
112L80.7Confident72.5Confident25 Ų2572.5 Ų72.513%0.13137%0.374CS..Hα-helixtrans-61.5-49.4171.1-78.9163.3000111.7F86 C87 V108 F109 N114 Q115 F116F86-L112 HydrophobicContact CD1-CD1 3.43Å; F86-L112 VanDerWaalsContact CD1-CD1 3.43Å; F86-L112 HydrophobicContact CD1-CD2 4.08Å; F86-L112 HydrophobicContact CD1-CG 4.43Å; F86-L112 HydrophobicContact CE1-CD1 3.82Å; F86-L112 HydrophobicContact CE1-CD2 4.04Å; F86-L112 HydrophobicContact CG-CD1 4.45Å; C87-L112 VanDerWaalsContact SG-CD1 3.57Å; V108-L112 HydrophobicContact CG1-CD1 3.89Å; V108-L112 WeakPolarHBondContact O-CB 3.41Å; V108-L112 WeakPolarHBondContact O-CD1 3.49Å; V108-L112 VanDerWaalsContact O-CG 3.29Å; V108-L112 WeakPolarHBondContact O-CG 3.33Å; V108-L112 PolarHBondContact O-N 2.9Å; F109-L112 PolarHBondContact O-N 3.02Å; L112-N114 VanDerWaalsContact C-N 3.27Å; L112-N114 PolarHBondContact O-N 3.1Å; L112-Q115 WeakPolarHBondContact O-CB 3.24Å; L112-Q115 PolarHBondContact O-N 3.43Å; L112-F116 VanDerWaalsContact O-CD2 3.3Å; L112-F116 WeakPolarHBondContact O-CD2 3.33Å; L112-F116 PolarHBondContact O-N 3.35Å
113V79.4Confident72.8Confident2 Ų267.4 Ų67.41%0.01234%0.339CS..Hα-helixtrans-60-39.6177.6172.70000111C83 F109 L110 Q115 F116 Y117 L127 T136C83-V113 HydrophobicContact CB-CG2 4.08Å; F109-V113 HydrophobicContact CD2-CG2 4.45Å; F109-V113 HydrophobicContact CE1-CG2 4.2Å; F109-V113 HydrophobicContact CE2-CG2 3.98Å; F109-V113 HydrophobicContact CZ-CG2 3.85Å; F109-V113 WeakPolarHBondContact O-CG2 3.33Å; F109-V113 PolarHBondContact O-N 3.42Å; L110-V113 PolarHBondContact O-N 3.42Å; V113-Q115 VanDerWaalsContact C-N 3.33Å; V113-Q115 PolarHBondContact O-N 2.81Å; V113-F116 PolarHBondContact O-N 3.14Å; V113-Y117 VanDerWaalsContact O-CB 3.31Å; V113-Y117 WeakPolarHBondContact O-CB 3.39Å; V113-Y117 PolarHBondContact O-N 2.85Å; V113-L127 HydrophobicContact CG1-CD1 3.87Å; V113-T136 HydrophobicContact CG1-CG2 4.31Å
114N76.6Confident72.6Confident58 Ų5868.2 Ų68.231%0.3134%0.343SS..Hα-helixtrans-65-36.1174.5-71.6-32.4000112.2L110 D111 L112 Y117 F118L110-N114 WeakPolarHBondContact O-CB 3.35Å; L110-N114 PolarHBondContact O-N 3.45Å; L110-N114 PolarHBondContact O-ND2 2.86Å; L110-N114 VanDerWaalsContact O-ND2 3.08Å; D111-N114 PolarHBondContact O-N 2.83Å; L112-N114 VanDerWaalsContact C-N 3.27Å; L112-N114 PolarHBondContact O-N 3.1Å; N114-Y117 VanDerWaalsContact O-CB 3.31Å; N114-Y117 WeakPolarHBondContact O-CB 2.92Å; N114-Y117 PolarHBondContact O-N 3.44Å; N114-F118 WeakPolarHBondContact O-CD2 2.9Å; N114-F118 PolarHBondContact O-N 3.38Å
115Q76.1Confident73.1Confident126 Ų12662.9 Ų62.959%0.58932%0.318SS*.Hα-helixtrans-68.8-42.1176.3-170.9168.7-2.300111.9D111 L112 V113 Y117 F118D111-Q115 WeakPolarHBondContact O-CB 3.46Å; D111-Q115 PolarHBondContact O-N 3.46Å; L112-Q115 WeakPolarHBondContact O-CB 3.24Å; L112-Q115 PolarHBondContact O-N 3.43Å; V113-Q115 VanDerWaalsContact C-N 3.33Å; V113-Q115 PolarHBondContact O-N 2.81Å; Q115-Y117 VanDerWaalsContact C-N 3.29Å; Q115-Y117 PolarHBondContact O-N 3.18Å; Q115-F118 PolarHBondContact O-N 2.97Å
116F74.4Confident73.4Confident72 Ų7258.1 Ų58.132%0.31629%0.292SS..Hα-helixtrans-63.6-36.2170.8-82.5-81.4000111.9C83 L112 V113 F118 L119 D120 L123C83-F116 WeakPolarHBondContact SG-CD2 3.4Å; L112-F116 VanDerWaalsContact O-CD2 3.3Å; L112-F116 WeakPolarHBondContact O-CD2 3.33Å; L112-F116 PolarHBondContact O-N 3.35Å; V113-F116 PolarHBondContact O-N 3.14Å; F116-F118 VanDerWaalsContact C-N 3.27Å; F116-F118 PolarHBondContact O-N 3.45Å; F116-L119 PolarHBondContact O-N 2.97Å; F116-D120 PolarHBondContact O-N 3.28Å; F116-L123 HydrophobicContact CB-CD2 3.78Å
117Y68.1Low73.5Confident72 Ų7255.3 Ų55.328%0.28228%0.283SS..Hα-helixtrans-57.6-37.5174.2166.9-83.8000111.9V113 N114 Q115 L119 V124 L127V113-Y117 VanDerWaalsContact O-CB 3.31Å; V113-Y117 WeakPolarHBondContact O-CB 3.39Å; V113-Y117 PolarHBondContact O-N 2.85Å; N114-Y117 VanDerWaalsContact O-CB 3.31Å; N114-Y117 WeakPolarHBondContact O-CB 2.92Å; N114-Y117 PolarHBondContact O-N 3.44Å; Q115-Y117 VanDerWaalsContact C-N 3.29Å; Q115-Y117 PolarHBondContact O-N 3.18Å; Y117-L119 VanDerWaalsContact C-N 3.26Å; Y117-L119 PolarHBondContact O-N 2.88Å; Y117-V124 HydrophobicContact CD1-CG2 4.28Å; Y117-V124 HydrophobicContact CD2-CB 4.19Å; Y117-V124 HydrophobicContact CD2-CG2 3.75Å; Y117-V124 HydrophobicContact CE1-CG2 4.2Å; Y117-V124 HydrophobicContact CE2-CB 3.87Å; Y117-V124 HydrophobicContact CE2-CG1 3.78Å; Y117-V124 HydrophobicContact CE2-CG2 3.71Å; Y117-V124 HydrophobicContact CG-CG2 4.05Å; Y117-V124 WeakPolarHBondContact O-CG2 3.32Å; Y117-L127 HydrophobicContact CD2-CB 4.23Å; Y117-L127 HydrophobicContact CD2-CD1 3.91Å; Y117-L127 HydrophobicContact CE2-CB 4.41Å
118F66.9Low73.3Confident165 Ų16558.5 Ų58.572%0.72431%0.305SS*.Hα-helixtrans-72.1-17.8175.8-75.1-68.5000114.3N114 Q115 F116N114-F118 WeakPolarHBondContact O-CD2 2.9Å; N114-F118 PolarHBondContact O-N 3.38Å; Q115-F118 PolarHBondContact O-N 2.97Å; F116-F118 VanDerWaalsContact C-N 3.27Å; F116-F118 PolarHBondContact O-N 3.45Å
119L69.9Low73Confident144 Ų14457.8 Ų57.875%0.75430%0.302SS*.Hα-helixtrans-102.8-18.3-174-64.3173000113.6F116 Y117F116-L119 PolarHBondContact O-N 2.97Å; Y117-L119 VanDerWaalsContact C-N 3.26Å; Y117-L119 PolarHBondContact O-N 2.88Å
120D76.5Confident71.9Confident27 Ų2763.1 Ų63.114%0.14434%0.335CS..  trans-128111.9-176.7-165.2-37.9000113H75 Q79 F116 Q122 L123 V124H75-D120 IonicContact CD2-OD2 3.33Å; H75-D120 IonicContact CE1-OD2 3.88Å; H75-D120 IonicContact NE2-OD1 2.91Å; H75-D120 IonicContact NE2-OD2 3.88Å; H75-D120 PolarHBondContact NE2-OD2 3.41Å; Q79-D120 VanDerWaalsContact CD-OD2 3.3Å; Q79-D120 PolarHBondContact NE2-OD2 2.66Å; Q79-D120 PolarHBondContact OE1-OD2 2.73Å; F116-D120 PolarHBondContact O-N 3.28Å; D120-Q122 VanDerWaalsContact C-N 3.27Å; D120-Q122 PolarHBondContact O-N 2.87Å; D120-Q122 WeakPolarHBondContact OD1-CA 3.4Å; D120-Q122 WeakPolarHBondContact OD1-CB 3Å; D120-Q122 PolarHBondContact OD1-N 3.44Å; D120-L123 HydrophobicContact CB-CB 4.01Å; D120-L123 WeakPolarHBondContact O-CB 3.34Å; D120-L123 PolarHBondContact O-N 3.2Å; D120-L123 VanDerWaalsContact O-N 3.16Å; D120-L123 PolarHBondContact OD1-N 3.42Å; D120-V124 WeakPolarHBondContact O-CG2 3.43Å; D120-V124 PolarHBondContact O-N 2.95Å; D120-V124 VanDerWaalsContact O-N 3.16Å
121S72.7Confident71.1Confident89 Ų8970.6 Ų70.662%0.62237%0.369SS*.Hα-helixtrans-62.9-28.4179.157.90000113.8V124 D125S121-V124 WeakPolarHBondContact O-CB 3.5Å; S121-V124 PolarHBondContact O-N 3.22Å; S121-D125 PolarHBondContact O-N 2.91Å; S121-D125 VanDerWaalsContact O-N 3.12Å
122Q72.3Confident70.4Confident74 Ų7468.9 Ų68.935%0.34636%0.361SS..Hα-helixtrans-72.8-33.9176.8-59.2-173.33400111.6D120 V124 H126D120-Q122 VanDerWaalsContact C-N 3.27Å; D120-Q122 PolarHBondContact O-N 2.87Å; D120-Q122 WeakPolarHBondContact OD1-CA 3.4Å; D120-Q122 WeakPolarHBondContact OD1-CB 3Å; D120-Q122 PolarHBondContact OD1-N 3.44Å; Q122-V124 VanDerWaalsContact C-N 3.34Å; Q122-H126 WeakPolarHBondContact O-CB 3.25Å; Q122-H126 PolarHBondContact O-N 2.93Å; Q122-H126 VanDerWaalsContact O-N 3.11Å
123L71.1Confident69.5Low1 Ų170.8 Ų70.81%0.00538%0.38CS..Hα-helixtrans-69.9-35.2174.7-166.860.3000111.3A76 Q79 F116 D120 H126 L127A76-L123 HydrophobicContact CB-CD1 3.75Å; Q79-L123 HydrophobicContact CB-CD2 4.44Å; F116-L123 HydrophobicContact CB-CD2 3.78Å; D120-L123 HydrophobicContact CB-CB 4.01Å; D120-L123 WeakPolarHBondContact O-CB 3.34Å; D120-L123 PolarHBondContact O-N 3.2Å; D120-L123 VanDerWaalsContact O-N 3.16Å; D120-L123 PolarHBondContact OD1-N 3.42Å; L123-H126 PolarHBondContact O-N 3.39Å; L123-L127 HydrophobicContact CD1-CD1 4.23Å; L123-L127 HydrophobicContact CD1-CG 4.35Å; L123-L127 HydrophobicContact CG-CD1 3.96Å; L123-L127 HydrophobicContact CG-CG 4.42Å; L123-L127 WeakPolarHBondContact O-CB 3.47Å; L123-L127 WeakPolarHBondContact O-CG 3.38Å; L123-L127 PolarHBondContact O-N 2.93Å
124V68.2Low68.9Low40 Ų4074.8 Ų74.824%0.24240%0.398CS..Hα-helixtrans-60.2-51.4173.2175.40000111.1Y117 D120 S121 Q122 H126 L127 S128Y117-V124 HydrophobicContact CD1-CG2 4.28Å; Y117-V124 HydrophobicContact CD2-CB 4.19Å; Y117-V124 HydrophobicContact CD2-CG2 3.75Å; Y117-V124 HydrophobicContact CE1-CG2 4.2Å; Y117-V124 HydrophobicContact CE2-CB 3.87Å; Y117-V124 HydrophobicContact CE2-CG1 3.78Å; Y117-V124 HydrophobicContact CE2-CG2 3.71Å; Y117-V124 HydrophobicContact CG-CG2 4.05Å; Y117-V124 WeakPolarHBondContact O-CG2 3.32Å; D120-V124 WeakPolarHBondContact O-CG2 3.43Å; D120-V124 PolarHBondContact O-N 2.95Å; D120-V124 VanDerWaalsContact O-N 3.16Å; S121-V124 WeakPolarHBondContact O-CB 3.5Å; S121-V124 PolarHBondContact O-N 3.22Å; Q122-V124 VanDerWaalsContact C-N 3.34Å; V124-H126 VanDerWaalsContact C-N 3.26Å; V124-H126 PolarHBondContact O-N 3.03Å; V124-L127 PolarHBondContact O-N 3.39Å; V124-S128 VanDerWaalsContact O-CB 3.25Å; V124-S128 WeakPolarHBondContact O-CB 3.44Å; V124-S128 PolarHBondContact O-N 3.32Å; V124-S128 PolarHBondContact O-OG 2.63Å
125D68.1Low68.3Low87 Ų8772.7 Ų72.747%0.46539%0.387SS..Hα-helixtrans-58.2-40.4177.9-73.1-9.4000111.3S121 S128 S129S121-D125 PolarHBondContact O-N 2.91Å; S121-D125 VanDerWaalsContact O-N 3.12Å; D125-S128 PolarHBondContact O-OG 2.96Å; D125-S129 WeakPolarHBondContact O-CB 3.37Å; D125-S129 PolarHBondContact O-N 3.08Å
126H71.8Confident68Low10 Ų1068.5 Ų68.55%0.04637%0.37CS..Hα-helixtrans-69.5-45.7180-172.493.7000113.1N73 A76 Q122 L123 V124 S129 V132 A133N73-H126 PolarHBondContact OD1-ND1 3.46Å; N73-H126 VanDerWaalsContact OD1-ND1 3.15Å; A76-H126 HydrophobicContact CB-CB 3.71Å; A76-H126 VanDerWaalsContact CB-CG 3.42Å; Q122-H126 WeakPolarHBondContact O-CB 3.25Å; Q122-H126 PolarHBondContact O-N 2.93Å; Q122-H126 VanDerWaalsContact O-N 3.11Å; L123-H126 PolarHBondContact O-N 3.39Å; V124-H126 VanDerWaalsContact C-N 3.26Å; V124-H126 PolarHBondContact O-N 3.03Å; H126-S129 WeakPolarHBondContact O-CB 3.41Å; H126-S129 PolarHBondContact O-N 3.5Å; H126-V132 WeakPolarHBondContact CE1-CG1 3.36Å; H126-A133 PolarHBondContact NE2-O 2.97Å
127L68.8Low67.9Low22 Ų2267.8 Ų67.812%0.11537%0.374CS..Hα-helixtrans-76.8-25.8-177.7-71.3176.5000113.1V113 Y117 L123 V124 K134 T136V113-L127 HydrophobicContact CG1-CD1 3.87Å; Y117-L127 HydrophobicContact CD2-CB 4.23Å; Y117-L127 HydrophobicContact CD2-CD1 3.91Å; Y117-L127 HydrophobicContact CE2-CB 4.41Å; L123-L127 HydrophobicContact CD1-CD1 4.23Å; L123-L127 HydrophobicContact CD1-CG 4.35Å; L123-L127 HydrophobicContact CG-CD1 3.96Å; L123-L127 HydrophobicContact CG-CG 4.42Å; L123-L127 WeakPolarHBondContact O-CB 3.47Å; L123-L127 WeakPolarHBondContact O-CG 3.38Å; L123-L127 PolarHBondContact O-N 2.93Å; V124-L127 PolarHBondContact O-N 3.39Å; L127-K134 HydrophobicContact CD2-CB 4.01Å; L127-K134 WeakPolarHBondContact CD2-O 3.34Å; L127-K134 WeakPolarHBondContact O-CD 3.46Å; L127-K134 WeakPolarHBondContact O-CE 3.47Å; L127-K134 PolarHBondContact O-NZ 2.78Å; L127-T136 HydrophobicContact CD2-CG2 4.33Å
128S66.8Low68.1Low71 Ų7170.2 Ų70.250%0.49739%0.386SS..Hα-helixtrans-78.1-25.9173.760.10000112.7V124 D125V124-S128 VanDerWaalsContact O-CB 3.25Å; V124-S128 WeakPolarHBondContact O-CB 3.44Å; V124-S128 PolarHBondContact O-N 3.32Å; V124-S128 PolarHBondContact O-OG 2.63Å; D125-S128 PolarHBondContact O-OG 2.96Å
129S70.4Confident68.5Low37 Ų3766.8 Ų66.826%0.25938%0.379SS..  trans-59.7136.1176.3-175.60000113D125 H126 V132 K134D125-S129 WeakPolarHBondContact O-CB 3.37Å; D125-S129 PolarHBondContact O-N 3.08Å; H126-S129 WeakPolarHBondContact O-CB 3.41Å; H126-S129 PolarHBondContact O-N 3.5Å; S129-V132 WeakPolarHBondContact OG-CG2 3.24Å; S129-K134 WeakPolarHBondContact O-CE 3.17Å
130T57.8Low68.8Low116 Ų11661.2 Ų61.271%0.71235%0.352SS*.SBendtrans-85.7-24.7177.849.30000112.9
131H59.1Low68.8Low179 Ų17960 Ų6083%0.82935%0.345SS*.SBendtrans-93.9-8.4-172.8-65.3-73.4000113.6
132V61.9Low69.1Low30 Ų3057.4 Ų57.418%0.18233%0.325CS..SBendtrans-109.5140-175.3-173.40000110.7H126 S129 K134H126-V132 WeakPolarHBondContact CE1-CG1 3.36Å; S129-V132 WeakPolarHBondContact OG-CG2 3.24Å; V132-K134 PolarHBondContact O-N 2.92Å
133A61.9Low69.6Low65 Ų6560.6 Ų60.654%0.53734%0.337SS..  trans-65.3110.2178.100000110.5H126 C135H126-A133 PolarHBondContact NE2-O 2.97Å; A133-C135 PolarHBondContact O-N 2.91Å; A133-C135 PolarHBondContact O-SG 3.32Å; A133-C135 VanDerWaalsContact O-SG 3.34Å
134K66.5Low70.1Confident86 Ų8661.3 Ų61.337%0.37434%0.341SS..  trans-66.6-9.4-176.5-56.8-170-177.7-155.50114.5L127 S129 V132 T136L127-K134 HydrophobicContact CD2-CB 4.01Å; L127-K134 WeakPolarHBondContact CD2-O 3.34Å; L127-K134 WeakPolarHBondContact O-CD 3.46Å; L127-K134 WeakPolarHBondContact O-CE 3.47Å; L127-K134 PolarHBondContact O-NZ 2.78Å; S129-K134 WeakPolarHBondContact O-CE 3.17Å; V132-K134 PolarHBondContact O-N 2.92Å; K134-T136 PolarHBondContact O-N 2.92Å
135C65.6Low70.7Confident14 Ų1459.5 Ų59.510%0.09533%0.33CS..SBendtrans56.1-0.9178.5-65.70000117.4L77 I80 A133 L144L77-C135 HydrophobicContact CD2-CB 4.22Å; L77-C135 WeakPolarHBondContact CD2-SG 3.39Å; I80-C135 HydrophobicContact CD1-CB 3.78Å; A133-C135 PolarHBondContact O-N 2.91Å; A133-C135 PolarHBondContact O-SG 3.32Å; A133-C135 VanDerWaalsContact O-SG 3.34Å; C135-L144 HydrophobicContact CB-CD1 3.9Å
136T68.9Low71.4Confident38 Ų3859.3 Ų59.323%0.23332%0.323CS..  trans-78.5-19.9174.850.60000113.2L110 V113 L127 K134 Q141L110-T136 HydrophobicContact CD2-CG2 4.09Å; V113-T136 HydrophobicContact CG1-CG2 4.31Å; L127-T136 HydrophobicContact CD2-CG2 4.33Å; K134-T136 PolarHBondContact O-N 2.92Å; T136-Q141 PolarHBondContact O-NE2 3.38Å
137S72.9Confident72.1Confident56 Ų5661.3 Ų61.339%0.39234%0.338SS..SBendtrans-68.1151.3-178.887.30000112.7T139 S140 Q141S137-T139 PolarHBondContact O-N 3.44Å; S137-T139 VanDerWaalsContact O-N 3.16Å; S137-S140 PolarHBondContact O-N 3.17Å; S137-S140 VanDerWaalsContact O-N 3.1Å; S137-S140 WeakPolarHBondContact OG-CB 3.09Å; S137-S140 PolarHBondContact OG-N 3.35Å; S137-S140 VanDerWaalsContact OG-N 3.14Å; S137-S140 PolarHBondContact OG-OG 3.33Å; S137-Q141 WeakPolarHBondContact O-CG 3.45Å; S137-Q141 PolarHBondContact O-N 3.37Å
138K71.3Confident72.7Confident123 Ų12360.4 Ų60.454%0.53533%0.333SS..Hα-helixtrans-48.6-42.7174.6176.9167.3174.1-179.10113.5R95 N142R95-K138 VanDerWaalsContact NH1-CE 3.3Å; K138-N142 VanDerWaalsContact O-CG 3.27Å; K138-N142 PolarHBondContact O-N 3.48Å; K138-N142 PolarHBondContact O-OD1 3.06Å
139T75.6Confident73.4Confident93 Ų9357.9 Ų57.957%0.57131%0.314SS*.Hα-helixtrans-72.6-41.1-177.9-51.90000111.3S137 N142 K143S137-T139 PolarHBondContact O-N 3.44Å; S137-T139 VanDerWaalsContact O-N 3.16Å; T139-N142 PolarHBondContact O-N 3.12Å; T139-K143 WeakPolarHBondContact O-CG 3.39Å; T139-K143 PolarHBondContact O-N 3.02Å; T139-K143 VanDerWaalsContact O-N 3.12Å
140S76.5Confident74Confident27 Ų2762.7 Ų62.719%0.18933%0.332CS..Hα-helixtrans-69.7-41.1178.8-530000112S137 N142 K143 L144S137-S140 PolarHBondContact O-N 3.17Å; S137-S140 VanDerWaalsContact O-N 3.1Å; S137-S140 WeakPolarHBondContact OG-CB 3.09Å; S137-S140 PolarHBondContact OG-N 3.35Å; S137-S140 VanDerWaalsContact OG-N 3.14Å; S137-S140 PolarHBondContact OG-OG 3.33Å; S140-N142 VanDerWaalsContact C-N 3.3Å; S140-N142 PolarHBondContact O-N 2.86Å; S140-K143 PolarHBondContact O-N 3.05Å; S140-L144 PolarHBondContact O-N 2.81Å
141Q76.6Confident75.3Confident2 Ų258.3 Ų58.31%0.00931%0.306CS..Hα-helixtrans-58.9-41.8172.8-69.6176.81400111.7F109 T136 S137 L144 L145F109-Q141 HydrophobicContact CE1-CG 4.27Å; T136-Q141 PolarHBondContact O-NE2 3.38Å; S137-Q141 WeakPolarHBondContact O-CG 3.45Å; S137-Q141 PolarHBondContact O-N 3.37Å; Q141-L144 PolarHBondContact O-N 2.97Å; Q141-L145 WeakPolarHBondContact O-CB 3.48Å; Q141-L145 VanDerWaalsContact O-CG 3.28Å; Q141-L145 WeakPolarHBondContact O-CG 3.42Å; Q141-L145 PolarHBondContact O-N 3.09Å
142N79.1Confident76.3Confident35 Ų3549.9 Ų49.919%0.18727%0.266CS..Hα-helixtrans-61.4-45.4176.1-75.6-8.9000111.4R95 K138 T139 S140 L144 L145 Y146 R506R95-N142 PolarHBondContact NH2-OD1 2.8Å; K138-N142 VanDerWaalsContact O-CG 3.27Å; K138-N142 PolarHBondContact O-N 3.48Å; K138-N142 PolarHBondContact O-OD1 3.06Å; T139-N142 PolarHBondContact O-N 3.12Å; S140-N142 VanDerWaalsContact C-N 3.3Å; S140-N142 PolarHBondContact O-N 2.86Å; N142-L144 PolarHBondContact O-N 2.74Å; N142-L145 PolarHBondContact O-N 3.24Å; N142-Y146 HydrophobicContact CB-CE2 4.3Å; N142-Y146 WeakPolarHBondContact O-CD2 3.39Å; N142-Y146 PolarHBondContact O-N 3.08Å; N142-R506 WeakPolarHBondContact OD1-CD 3.25Å; N142-R506 PolarHBondContact OD1-NH1 3.19Å
143K82.1Confident77.2Confident141 Ų14153.6 Ų53.661%0.61328%0.282SS*.Hα-helixtrans-59.5-45.7176.8-71.8-178.1176.9-172.20111.7T139 S140 L145 Y146 C147T139-K143 WeakPolarHBondContact O-CG 3.39Å; T139-K143 PolarHBondContact O-N 3.02Å; T139-K143 VanDerWaalsContact O-N 3.12Å; S140-K143 PolarHBondContact O-N 3.05Å; K143-L145 PolarHBondContact O-N 3.39Å; K143-Y146 WeakPolarHBondContact O-CB 3.38Å; K143-Y146 PolarHBondContact O-N 2.99Å; K143-Y146 VanDerWaalsContact O-N 3.12Å; K143-C147 PolarHBondContact O-N 2.93Å; K143-C147 PolarHBondContact O-SG 2.78Å; K143-C147 VanDerWaalsContact O-SG 3.37Å
144L81.9Confident78.2Confident16 Ų1654.6 Ų54.68%0.08428%0.275CS..Hα-helixtrans-61.2-42.9176.1-74.7170.5000112.1L77 I80 L81 I84 C135 S140 Q141 N142 Y146 C147 I148L77-L144 HydrophobicContact CD2-CD2 4.3Å; I80-L144 HydrophobicContact CG2-CD1 4.18Å; L81-L144 HydrophobicContact CD2-CD2 4.38Å; I84-L144 HydrophobicContact CD1-CB 4.46Å; I84-L144 HydrophobicContact CD1-CD1 4.49Å; C135-L144 HydrophobicContact CB-CD1 3.9Å; S140-L144 PolarHBondContact O-N 2.81Å; Q141-L144 PolarHBondContact O-N 2.97Å; N142-L144 PolarHBondContact O-N 2.74Å; L144-Y146 PolarHBondContact O-N 2.73Å; L144-C147 PolarHBondContact O-N 3.22Å; L144-I148 WeakPolarHBondContact O-CB 3.46Å; L144-I148 VanDerWaalsContact O-CG1 3.23Å; L144-I148 WeakPolarHBondContact O-CG1 3.32Å; L144-I148 PolarHBondContact O-N 2.74Å
145L81Confident79Confident1 Ų153.3 Ų53.31%0.00527%0.27CS..Hα-helixtrans-61.2-33.2174.9-73.9171.3000112.6I84 L94 Q141 N142 K143 I148 L149 R506 A509 L510 L513I84-L145 HydrophobicContact CG2-CD2 4.24Å; L94-L145 HydrophobicContact CD1-CD1 4.24Å; L94-L145 HydrophobicContact CD1-CD2 4.2Å; Q141-L145 WeakPolarHBondContact O-CB 3.48Å; Q141-L145 VanDerWaalsContact O-CG 3.28Å; Q141-L145 WeakPolarHBondContact O-CG 3.42Å; Q141-L145 PolarHBondContact O-N 3.09Å; N142-L145 PolarHBondContact O-N 3.24Å; K143-L145 PolarHBondContact O-N 3.39Å; L145-I148 HydrophobicContact CD2-CD1 4.46Å; L145-L149 WeakPolarHBondContact O-CB 3.37Å; L145-L149 PolarHBondContact O-N 2.96Å; L145-R506 HydrophobicContact CD1-CG 4.12Å; L145-A509 HydrophobicContact CB-CB 4.15Å; L145-L510 HydrophobicContact CD1-CD2 3.94Å; L145-L510 HydrophobicContact CD1-CG 4.46Å; L145-L510 HydrophobicContact CD2-CD2 3.75Å; L145-L513 HydrophobicContact CD2-CD1 3.56Å
146Y83.4Confident79.8Confident84 Ų8454.7 Ų54.733%0.32928%0.276SS..Hα-helixtrans-71.9-44175.3-61.5-35.9000112.5N142 K143 L144 I148 L149 E150 E505N142-Y146 HydrophobicContact CB-CE2 4.3Å; N142-Y146 WeakPolarHBondContact O-CD2 3.39Å; N142-Y146 PolarHBondContact O-N 3.08Å; K143-Y146 WeakPolarHBondContact O-CB 3.38Å; K143-Y146 PolarHBondContact O-N 2.99Å; K143-Y146 VanDerWaalsContact O-N 3.12Å; L144-Y146 PolarHBondContact O-N 2.73Å; Y146-I148 VanDerWaalsContact C-N 3.28Å; Y146-I148 PolarHBondContact O-N 3.5Å; Y146-L149 WeakPolarHBondContact O-CB 3.38Å; Y146-L149 PolarHBondContact O-N 3.33Å; Y146-L149 VanDerWaalsContact O-N 3.13Å; Y146-E150 PolarHBondContact O-N 3.46Å; Y146-E505 HydrophobicContact CE1-CB 3.61Å; Y146-E505 PolarHBondContact OH-OE2 3.15Å
147C85.4Confident80.5Confident52 Ų5255.8 Ų55.835%0.35128%0.277SS..Hα-helixtrans-59-42.9173.1-60.50000111.2K143 L144 L149 E150 V151 V530K143-C147 PolarHBondContact O-N 2.93Å; K143-C147 PolarHBondContact O-SG 2.78Å; K143-C147 VanDerWaalsContact O-SG 3.37Å; L144-C147 PolarHBondContact O-N 3.22Å; C147-L149 PolarHBondContact O-N 2.93Å; C147-E150 PolarHBondContact O-N 2.79Å; C147-V151 WeakPolarHBondContact O-CG2 3.35Å; C147-V151 PolarHBondContact O-N 2.93Å; C147-V151 VanDerWaalsContact O-N 3.09Å; C147-V530 HydrophobicContact CB-CG1 4Å
148I81.9Confident81Confident3 Ų355.7 Ų55.72%0.01527%0.273CS..Hα-helixtrans-57.2-49.4173.4-73.5168000110.9L81 I84 L144 L145 Y146 E150 V151 Y152 L513 F526 V530L81-I148 HydrophobicContact CD2-CD1 3.66Å; L81-I148 HydrophobicContact CD2-CG1 3.97Å; I84-I148 HydrophobicContact CG2-CD1 4.21Å; L144-I148 WeakPolarHBondContact O-CB 3.46Å; L144-I148 VanDerWaalsContact O-CG1 3.23Å; L144-I148 WeakPolarHBondContact O-CG1 3.32Å; L144-I148 PolarHBondContact O-N 2.74Å; L145-I148 HydrophobicContact CD2-CD1 4.46Å; Y146-I148 VanDerWaalsContact C-N 3.28Å; Y146-I148 PolarHBondContact O-N 3.5Å; I148-E150 VanDerWaalsContact C-N 3.3Å; I148-E150 PolarHBondContact O-N 3.36Å; I148-V151 PolarHBondContact O-N 3.37Å; I148-Y152 HydrophobicContact CG2-CD2 3.75Å; I148-Y152 HydrophobicContact CG2-CE2 3.81Å; I148-Y152 VanDerWaalsContact O-CD2 3.3Å; I148-Y152 WeakPolarHBondContact O-CD2 3.11Å; I148-Y152 PolarHBondContact O-N 2.91Å; I148-L513 HydrophobicContact CG2-CD1 3.89Å; I148-L513 HydrophobicContact CG2-CD2 3.76Å; I148-L513 HydrophobicContact CG2-CG 3.82Å; I148-F526 HydrophobicContact CG1-CE1 4.5Å; I148-F526 HydrophobicContact CG2-CZ 4.13Å; I148-V530 HydrophobicContact CG1-CG1 3.88Å; I148-V530 HydrophobicContact CG1-CG2 4.16Å
149L81.5Confident81.7Confident18 Ų1853.7 Ų53.79%0.09427%0.265CS..Hα-helixtrans-61-39.3-179.817761.5000111.7L145 Y146 C147 Y152 Q153 A509 T512L145-L149 WeakPolarHBondContact O-CB 3.37Å; L145-L149 PolarHBondContact O-N 2.96Å; Y146-L149 WeakPolarHBondContact O-CB 3.38Å; Y146-L149 PolarHBondContact O-N 3.33Å; Y146-L149 VanDerWaalsContact O-N 3.13Å; C147-L149 PolarHBondContact O-N 2.93Å; L149-Y152 WeakPolarHBondContact O-CB 3.47Å; L149-Y152 PolarHBondContact O-N 3.21Å; L149-Q153 HydrophobicContact CD1-CG 4.12Å; L149-Q153 HydrophobicContact CG-CG 4.38Å; L149-Q153 WeakPolarHBondContact O-CB 3.19Å; L149-Q153 VanDerWaalsContact O-CG 3.29Å; L149-Q153 WeakPolarHBondContact O-CG 3.23Å; L149-Q153 PolarHBondContact O-N 3.24Å; L149-A509 HydrophobicContact CB-CB 4.04Å; L149-A509 HydrophobicContact CD2-CB 4.12Å; L149-T512 HydrophobicContact CD1-CG2 4.23Å
150E83.6Confident82.1Confident137 Ų13751.1 Ų51.164%0.6425%0.247SC*.Hα-helixtrans-64.3-46.2178.5-171.6174-176.500111.8Y146 C147 I148 Y152 Q153 Q154Y146-E150 PolarHBondContact O-N 3.46Å; C147-E150 PolarHBondContact O-N 2.79Å; I148-E150 VanDerWaalsContact C-N 3.3Å; I148-E150 PolarHBondContact O-N 3.36Å; E150-Y152 VanDerWaalsContact C-N 3.29Å; E150-Y152 PolarHBondContact O-N 2.89Å; E150-Q153 PolarHBondContact O-N 2.91Å; E150-Q154 WeakPolarHBondContact O-CB 3.46Å; E150-Q154 PolarHBondContact O-N 2.85Å
151V85.1Confident82.4Confident25 Ų2553.2 Ų53.215%0.15226%0.256CS..Hα-helixtrans-59.7-41.6175.1174.40000111C147 I148 Q154 K155 F526 K529 V530C147-V151 WeakPolarHBondContact O-CG2 3.35Å; C147-V151 PolarHBondContact O-N 2.93Å; C147-V151 VanDerWaalsContact O-N 3.09Å; I148-V151 PolarHBondContact O-N 3.37Å; V151-Q154 PolarHBondContact O-N 3Å; V151-K155 PolarHBondContact O-N 2.94Å; V151-F526 HydrophobicContact CB-CE2 4.39Å; V151-F526 HydrophobicContact CG1-CD2 4.06Å; V151-F526 HydrophobicContact CG1-CE2 3.78Å; V151-K529 HydrophobicContact CG1-CB 4.06Å; V151-K529 HydrophobicContact CG2-CB 4.25Å; V151-V530 HydrophobicContact CB-CG2 4.22Å; V151-V530 HydrophobicContact CG1-CG2 4.49Å; V151-V530 HydrophobicContact CG2-CG2 3.84Å
152Y80.3Confident82.9Confident1 Ų160.1 Ų60.10%0.00429%0.288CS..Hα-helixtrans-62.3-50.3174.5-93.9-67.1000113I148 L149 E150 Q154 K155 I156 T512 L513 E516 L519 I520 F526I148-Y152 HydrophobicContact CG2-CD2 3.75Å; I148-Y152 HydrophobicContact CG2-CE2 3.81Å; I148-Y152 VanDerWaalsContact O-CD2 3.3Å; I148-Y152 WeakPolarHBondContact O-CD2 3.11Å; I148-Y152 PolarHBondContact O-N 2.91Å; L149-Y152 WeakPolarHBondContact O-CB 3.47Å; L149-Y152 PolarHBondContact O-N 3.21Å; E150-Y152 VanDerWaalsContact C-N 3.29Å; E150-Y152 PolarHBondContact O-N 2.89Å; Y152-Q154 PolarHBondContact O-N 3.13Å; Y152-K155 PolarHBondContact O-N 3.11Å; Y152-K155 VanDerWaalsContact O-N 3.13Å; Y152-I156 WeakPolarHBondContact O-CB 3.47Å; Y152-I156 VanDerWaalsContact O-CG1 3.28Å; Y152-I156 WeakPolarHBondContact O-CG1 3.44Å; Y152-I156 PolarHBondContact O-N 3.24Å; Y152-T512 HydrophobicContact CD1-CG2 4.22Å; Y152-T512 HydrophobicContact CD2-CG2 4.24Å; Y152-T512 HydrophobicContact CG-CG2 3.92Å; Y152-L513 HydrophobicContact CE2-CD2 3.6Å; Y152-L513 HydrophobicContact CE2-CG 3.94Å; Y152-E516 HydrophobicContact CD1-CB 3.97Å; Y152-E516 HydrophobicContact CE1-CB 3.35Å; Y152-E516 HydrophobicContact CE1-CG 4.35Å; Y152-E516 WeakPolarHBondContact CE1-O 3.38Å; Y152-E516 PolarHBondContact OH-O 3.43Å; Y152-L519 HydrophobicContact CD1-CD2 4.12Å; Y152-L519 HydrophobicContact CE1-CD2 3.95Å; Y152-I520 HydrophobicContact CE1-CD1 4.37Å; Y152-I520 HydrophobicContact CE1-CG1 3.97Å; Y152-I520 HydrophobicContact CE2-CD1 3.53Å; Y152-I520 HydrophobicContact CE2-CG1 3.98Å; Y152-I520 WeakPolarHBondContact OH-CD1 3.41Å; Y152-I520 WeakPolarHBondContact OH-CG1 3.16Å; Y152-F526 HydrophobicContact CD2-CE2 4.44Å; Y152-F526 HydrophobicContact CD2-CZ 4.36Å; Y152-F526 HydrophobicContact CE2-CE2 4.4Å; Y152-F526 HydrophobicContact CE2-CZ 4.15Å
153Q79.5Confident83.1Confident108 Ų10860 Ų6051%0.50529%0.292SS..Hα-helixtrans-59.4-38.7-179.5-77.2177.7-900111L149 E150 K157L149-Q153 HydrophobicContact CD1-CG 4.12Å; L149-Q153 HydrophobicContact CG-CG 4.38Å; L149-Q153 WeakPolarHBondContact O-CB 3.19Å; L149-Q153 VanDerWaalsContact O-CG 3.29Å; L149-Q153 WeakPolarHBondContact O-CG 3.23Å; L149-Q153 PolarHBondContact O-N 3.24Å; E150-Q153 PolarHBondContact O-N 2.91Å; Q153-K157 WeakPolarHBondContact O-CB 3.14Å; Q153-K157 PolarHBondContact O-N 3.27Å
154Q83.4Confident83.2Confident87 Ų8756.2 Ų56.241%0.40728%0.284SS..Hα-helixtrans-65.7-45.1175.6-17354.23700111.4E150 V151 Y152 K157 D158E150-Q154 WeakPolarHBondContact O-CB 3.46Å; E150-Q154 PolarHBondContact O-N 2.85Å; V151-Q154 PolarHBondContact O-N 3Å; Y152-Q154 PolarHBondContact O-N 3.13Å; Q154-K157 WeakPolarHBondContact O-CB 3.35Å; Q154-K157 PolarHBondContact O-N 2.99Å; Q154-D158 PolarHBondContact NE2-OD1 3.47Å; Q154-D158 PolarHBondContact NE2-OD2 3.31Å; Q154-D158 PolarHBondContact O-N 3.06Å
155K84Confident83.3Confident58 Ų5856.7 Ų56.725%0.25229%0.285SS..Hα-helixtrans-65.6-43.1178.5-175.655.1179.3164.60112.9V151 Y152 K157 D158 E159 L519 L523V151-K155 PolarHBondContact O-N 2.94Å; Y152-K155 PolarHBondContact O-N 3.11Å; Y152-K155 VanDerWaalsContact O-N 3.13Å; K155-K157 VanDerWaalsContact C-N 3.28Å; K155-K157 PolarHBondContact O-N 3.4Å; K155-D158 PolarHBondContact O-N 3.47Å; K155-E159 VanDerWaalsContact CE-OE1 3.31Å; K155-E159 WeakPolarHBondContact CE-OE1 3.44Å; K155-E159 WeakPolarHBondContact O-CG 3.46Å; K155-E159 PolarHBondContact O-N 3.31Å; K155-L519 HydrophobicContact CG-CD1 4.35Å; K155-L519 HydrophobicContact CG-CD2 3.95Å; K155-L523 HydrophobicContact CG-CD1 4.29Å
156I82.3Confident83.4Confident44 Ų4457.8 Ų57.823%0.22629%0.292CS..Hα-helixtrans-60.7-41.7174.6-67.5166.4000109.9Y152 E159 I160 T512 E516Y152-I156 WeakPolarHBondContact O-CB 3.47Å; Y152-I156 VanDerWaalsContact O-CG1 3.28Å; Y152-I156 WeakPolarHBondContact O-CG1 3.44Å; Y152-I156 PolarHBondContact O-N 3.24Å; I156-E159 PolarHBondContact O-N 2.72Å; I156-I160 HydrophobicContact CG2-CD1 3.73Å; I156-I160 HydrophobicContact CG2-CG1 4.41Å; I156-I160 WeakPolarHBondContact O-CB 3.3Å; I156-I160 VanDerWaalsContact O-CG1 3.23Å; I156-I160 WeakPolarHBondContact O-CG1 3.16Å; I156-I160 PolarHBondContact O-N 2.96Å; I156-T512 HydrophobicContact CD1-CG2 4.44Å; I156-E516 HydrophobicContact CD1-CG 4.27Å
157K82.3Confident83.1Confident60 Ų6055.2 Ų55.226%0.26129%0.288SS..Hα-helixtrans-61.2-44.9175.8-176.5-178.1176-171.80111.3Q153 Q154 K155 I160 L161 F181Q153-K157 WeakPolarHBondContact O-CB 3.14Å; Q153-K157 PolarHBondContact O-N 3.27Å; Q154-K157 WeakPolarHBondContact O-CB 3.35Å; Q154-K157 PolarHBondContact O-N 2.99Å; K155-K157 VanDerWaalsContact C-N 3.28Å; K155-K157 PolarHBondContact O-N 3.4Å; K157-I160 PolarHBondContact O-N 3.27Å; K157-L161 HydrophobicContact CG-CD1 4.06Å; K157-L161 HydrophobicContact CG-CG 4.5Å; K157-L161 WeakPolarHBondContact O-CB 3.36Å; K157-L161 WeakPolarHBondContact O-CG 3.29Å; K157-L161 PolarHBondContact O-N 3.17Å; K157-F181 HydrophobicContact CB-CD1 4.26Å; K157-F181 HydrophobicContact CB-CE1 3.81Å; K157-F181 HydrophobicContact CG-CD1 4.08Å; K157-F181 HydrophobicContact CG-CE1 4.04Å
158D85Confident82.6Confident55 Ų5555.4 Ų55.429%0.29429%0.287SS..Hα-helixtrans-63.3-43.5177.9-63.8-24.2000110.9Q154 K155 I160 L161 E162Q154-D158 PolarHBondContact NE2-OD1 3.47Å; Q154-D158 PolarHBondContact NE2-OD2 3.31Å; Q154-D158 PolarHBondContact O-N 3.06Å; K155-D158 PolarHBondContact O-N 3.47Å; D158-I160 PolarHBondContact O-N 3.37Å; D158-L161 CarbonylContact O-C 3.59Å; D158-L161 WeakPolarHBondContact O-CA 3.44Å; D158-L161 PolarHBondContact O-N 3.46Å; D158-L161 VanDerWaalsContact O-N 3.1Å; D158-E162 WeakPolarHBondContact O-CG 3.46Å; D158-E162 PolarHBondContact O-N 3.05Å
159E84.9Confident82Confident80 Ų8057.9 Ų57.937%0.37430%0.299SS..Hα-helixtrans-61.8-41.6175.6-73.3179.9-169.100112.6K155 I156 L161 E162 A163 L519K155-E159 VanDerWaalsContact CE-OE1 3.31Å; K155-E159 WeakPolarHBondContact CE-OE1 3.44Å; K155-E159 WeakPolarHBondContact O-CG 3.46Å; K155-E159 PolarHBondContact O-N 3.31Å; I156-E159 PolarHBondContact O-N 2.72Å; E159-L161 VanDerWaalsContact C-N 3.31Å; E159-L161 PolarHBondContact O-N 3.26Å; E159-E162 PolarHBondContact O-N 3.12Å; E159-A163 WeakPolarHBondContact O-CB 3.35Å; E159-A163 PolarHBondContact O-N 3.43Å; E159-L519 WeakPolarHBondContact OE1-CD1 3.31Å
160I84.3Confident81.2Confident39 Ų3957.7 Ų57.720%0.230%0.3CS..Hα-helixtrans-64.8-36.6174.1-69.2167.8000111I156 K157 D158 V166 F181 L183 K186I156-I160 HydrophobicContact CG2-CD1 3.73Å; I156-I160 HydrophobicContact CG2-CG1 4.41Å; I156-I160 WeakPolarHBondContact O-CB 3.3Å; I156-I160 VanDerWaalsContact O-CG1 3.23Å; I156-I160 WeakPolarHBondContact O-CG1 3.16Å; I156-I160 PolarHBondContact O-N 2.96Å; K157-I160 PolarHBondContact O-N 3.27Å; D158-I160 PolarHBondContact O-N 3.37Å; I160-V166 HydrophobicContact CG2-CG2 4.37Å; I160-F181 HydrophobicContact CD1-CD1 3.8Å; I160-F181 HydrophobicContact CD1-CE1 3.98Å; I160-F181 HydrophobicContact CD1-CG 4.44Å; I160-F181 HydrophobicContact CG2-CB 4.39Å; I160-F181 HydrophobicContact CG2-CD1 4.41Å; I160-L183 HydrophobicContact CG2-CD2 3.62Å; I160-K186 PolarHBondContact O-NZ 2.97Å
161L83.8Confident79.9Confident71 Ų7152.5 Ų52.537%0.37228%0.276SS..Hα-helixtrans-74-25.8177.1-72174.2000113K157 D158 E159 K182 K186K157-L161 HydrophobicContact CG-CD1 4.06Å; K157-L161 HydrophobicContact CG-CG 4.5Å; K157-L161 WeakPolarHBondContact O-CB 3.36Å; K157-L161 WeakPolarHBondContact O-CG 3.29Å; K157-L161 PolarHBondContact O-N 3.17Å; D158-L161 CarbonylContact O-C 3.59Å; D158-L161 WeakPolarHBondContact O-CA 3.44Å; D158-L161 PolarHBondContact O-N 3.46Å; D158-L161 VanDerWaalsContact O-N 3.1Å; E159-L161 VanDerWaalsContact C-N 3.31Å; E159-L161 PolarHBondContact O-N 3.26Å; L161-K182 HydrophobicContact CD2-CB 4.3Å; L161-K186 PolarHBondContact O-NZ 3.05Å
162E85.3Confident78.4Confident147 Ų14758.9 Ų58.969%0.68731%0.305SS*.Hα-helixtrans-84.5-30.8173.4-72.5174.3-177.600112.4D158 E159 S164D158-E162 WeakPolarHBondContact O-CG 3.46Å; D158-E162 PolarHBondContact O-N 3.05Å; E159-E162 PolarHBondContact O-N 3.12Å; E162-S164 PolarHBondContact O-N 2.9Å
163A84.3Confident76.8Confident33 Ų3362 Ų6227%0.27332%0.324SS..  trans-60.2134.3-178.300000112.4E159 V166 K186E159-A163 WeakPolarHBondContact O-CB 3.35Å; E159-A163 PolarHBondContact O-N 3.43Å; A163-V166 HydrophobicContact CB-CG2 4.26Å; A163-K186 WeakPolarHBondContact O-CD 3.45Å; A163-K186 WeakPolarHBondContact O-CE 3.32Å; A163-K186 PolarHBondContact O-NZ 3.4Å
164S83.1Confident75Confident62 Ų6263.4 Ų63.443%0.43434%0.34SS..SBendtrans-68.4-40.8176.1-51.40000111.5E162 Q472E162-S164 PolarHBondContact O-N 2.9Å; S164-Q472 PolarHBondContact OG-NE2 3.46Å
165F84.6Confident73Confident25 Ų2566.7 Ų66.711%0.1136%0.355CS..  trans-138.1152.9-179.8-58.3-65.6000110.9K186 I188 M425 K469 Q472 I473 T476F165-K186 CarbonylContact C-O 3.33Å; F165-K186 WeakPolarHBondContact CA-O 3.28Å; F165-I188 HydrophobicContact CB-CD1 3.79Å; F165-I188 HydrophobicContact CB-CG1 4.07Å; F165-I188 HydrophobicContact CB-CG2 4.11Å; F165-I188 HydrophobicContact CD1-CG2 3.38Å; F165-I188 HydrophobicContact CE1-CG2 4.11Å; F165-I188 HydrophobicContact CG-CD1 4.25Å; F165-I188 HydrophobicContact CG-CG2 4.01Å; F165-M425 HydrophobicContact CD1-CE 4.07Å; F165-M425 HydrophobicContact CE1-CE 3.53Å; F165-M425 HydrophobicContact CE1-SD 3.78Å; F165-M425 HydrophobicContact CZ-CE 3.99Å; F165-M425 HydrophobicContact CZ-SD 4.41Å; F165-K469 HydrophobicContact CE2-CG 3.67Å; F165-K469 HydrophobicContact CZ-CD 4.17Å; F165-K469 HydrophobicContact CZ-CG 3.53Å; F165-Q472 HydrophobicContact CD2-CB 3.84Å; F165-Q472 HydrophobicContact CE2-CB 4.12Å; F165-I473 HydrophobicContact CD2-CG1 3.86Å; F165-I473 HydrophobicContact CE1-CG1 4.4Å; F165-I473 HydrophobicContact CE2-CD1 4.22Å; F165-I473 HydrophobicContact CE2-CG1 3.68Å; F165-I473 HydrophobicContact CG-CG1 4.3Å; F165-I473 HydrophobicContact CZ-CD1 4.14Å; F165-I473 HydrophobicContact CZ-CG1 3.96Å; F165-T476 HydrophobicContact CB-CG2 4.09Å
166V82.6Confident71.2Confident24 Ų2467.5 Ų67.515%0.14537%0.365CS..EExtended strand (participates in β ladder)trans-135.1140.1-179.3179.90000108.8I160 A163 V168 L183 K186 L187 I188I160-V166 HydrophobicContact CG2-CG2 4.37Å; A163-V166 HydrophobicContact CB-CG2 4.26Å; V166-V168 HydrophobicContact CG1-CG2 4.43Å; V166-L183 HydrophobicContact CB-CD2 4.31Å; V166-L183 HydrophobicContact CG1-CD2 4.22Å; V166-L183 HydrophobicContact CG2-CD2 4.18Å; V166-K186 HydrophobicContact CG2-CB 4.33Å; V166-K186 PolarHBondContact N-O 3.08Å; V166-L187 WeakPolarHBondContact O-CA 3.35Å; V166-I188 WeakPolarHBondContact O-CG1 3.21Å; V166-I188 PolarHBondContact O-N 3.41Å
167A78.4Confident69.4Low31 Ų3169.9 Ų69.926%0.25639%0.385SS..EExtended strand (participates in β ladder)trans-118.4142.1167.500000109.7A189 T476 P478A167-A189 WeakPolarHBondContact CA-O 3.33Å; A167-A189 HydrophobicContact CB-CB 3.9Å; A167-T476 HydrophobicContact CB-CG2 4.12Å; A167-T476 WeakPolarHBondContact CB-O 3.41Å; A167-P478 HydrophobicContact CB-CG 4.45Å
168V74.6Confident67.9Low55 Ų5578.7 Ų78.733%0.33342%0.417SS..EExtended strand (participates in β ladder)trans-114.9135.5-178.6172.40000110.4V166 L187 A189 Q190 T191V166-V168 HydrophobicContact CG1-CG2 4.43Å; V168-L187 HydrophobicContact CB-CD1 4.01Å; V168-L187 HydrophobicContact CG2-CD1 3.48Å; V168-L187 VanDerWaalsContact CG2-CD1 3.48Å; V168-A189 PolarHBondContact N-O 3.05Å; V168-Q190 CarbonylContact O-C 3.59Å; V168-Q190 VanDerWaalsContact O-CA 3.3Å; V168-Q190 WeakPolarHBondContact O-CA 3.35Å; V168-T191 PolarHBondContact O-N 3.31Å
169Q69.9Low66.4Low56 Ų5677.7 Ų77.726%0.26242%0.42SS..EExtended strand (participates in β ladder)trans-120.8126.1172.6-48.3-163.9-44.200109.4T191 F488Q169-T191 WeakPolarHBondContact CA-O 3.3Å; Q169-T191 WeakPolarHBondContact CA-OG1 3.38Å; Q169-T191 VanDerWaalsContact CB-OG1 3.26Å; Q169-T191 WeakPolarHBondContact CB-OG1 3.49Å; Q169-T191 WeakPolarHBondContact CG-OG1 3.29Å; Q169-F488 HydrophobicContact CB-CZ 4.27Å
170A64.8Low64.9Low14 Ų1477.9 Ų77.912%0.11643%0.428CS..EExtended strand (participates in β ladder)trans-126.3142.6-177.500000112.5T173 T191 Y192 D193 F488A170-T173 HydrophobicContact CB-CG2 4.29Å; A170-T191 PolarHBondContact N-O 3.06Å; A170-Y192 HydrophobicContact CB-CD1 3.8Å; A170-Y192 HydrophobicContact CB-CE1 3.91Å; A170-Y192 CarbonylContact O-C 3.53Å; A170-Y192 WeakPolarHBondContact O-CA 3.45Å; A170-D193 PolarHBondContact O-N 3.05Å; A170-F488 VanDerWaalsContact C-CZ 3.43Å
171D54.5Low63.7Low27 Ų2779.5 Ų79.514%0.14443%0.434CS..SBendtrans-89.6-74.6176.8-165.615.5000108.8F488 K492D171-F488 HydrophobicContact CB-CD1 3.72Å; D171-F488 HydrophobicContact CB-CE1 3.6Å; D171-F488 HydrophobicContact CB-CG 4.33Å; D171-F488 HydrophobicContact CB-CZ 4.07Å; D171-K492 IonicContact OD1-NZ 3.97Å; D171-K492 PolarHBondContact OD1-NZ 3.41Å; D171-K492 WeakPolarHBondContact OD2-CE 3.47Å; D171-K492 IonicContact OD2-NZ 3.61Å; D171-K492 PolarHBondContact OD2-NZ 3.27Å
172E54Low62.9Low160 Ų16084 Ų8475%0.74845%0.45SS*.  trans-138.7123.8175.1-67176.1172.300108
173T47.6Very low62.1Low65 Ų6578.5 Ų78.540%0.39943%0.426SS..  trans-133.3121.117565.20000110.2A170 L205A170-T173 HydrophobicContact CB-CG2 4.29Å; T173-L205 WeakPolarHBondContact OG1-CD2 3.39Å
174T40.9Very low61.5Low138 Ų13883.3 Ų83.385%0.84744%0.442SS*.  trans-91.7-6.6176.548.60000113
175E41Very low60.9Low157 Ų15785.9 Ų85.973%0.73445%0.451SS*.  trans-133.9125.6-169.9-161.8167.9-160.400111.4
176V47.8Very low60.7Low74 Ų7486.7 Ų86.745%0.44846%0.455SS..  trans-98.884171.5-176.80000106.4L205V176-L205 HydrophobicContact CG2-CD1 3.5Å
177S43.8Very low60.5Low94 Ų9485.8 Ų85.866%0.65745%0.449SS*.  trans-75.6127.9164.658.40000107.6G179S177-G179 PolarHBondContact O-N 3.47Å
178R51.6Low60.4Low245 Ų24584.3 Ų84.393%0.92544%0.437SS*.  trans-68.882165.5-70-178.3179.9176.8-1106.4
179G52.4Low60.3Low35 Ų3581.8 Ų81.836%0.36142%0.422SS..  trans-61.3165.1-177.600000111.7S177 F181S177-G179 PolarHBondContact O-N 3.47Å; G179-F181 PolarHBondContact O-N 3.36Å
180P53.2Low60.2Low84 Ų8479.2 Ų79.255%0.54541%0.41SS..SBendtrans-69.12.6-177.931-37.5000114.2
181F60Low60.2Low72 Ų7278.8 Ų78.832%0.31641%0.406SS..  trans-90.4106.7-175.3-50.6-73.3000108.2K157 I160 G179 L183K157-F181 HydrophobicContact CB-CD1 4.26Å; K157-F181 HydrophobicContact CB-CE1 3.81Å; K157-F181 HydrophobicContact CG-CD1 4.08Å; K157-F181 HydrophobicContact CG-CE1 4.04Å; I160-F181 HydrophobicContact CD1-CD1 3.8Å; I160-F181 HydrophobicContact CD1-CE1 3.98Å; I160-F181 HydrophobicContact CD1-CG 4.44Å; I160-F181 HydrophobicContact CG2-CB 4.39Å; I160-F181 HydrophobicContact CG2-CD1 4.41Å; G179-F181 PolarHBondContact O-N 3.36Å; F181-L183 HydrophobicContact CB-CD1 3.99Å; F181-L183 HydrophobicContact CB-CD2 4.31Å; F181-L183 HydrophobicContact CB-CG 3.81Å; F181-L183 WeakPolarHBondContact O-CG 3.32Å; F181-L183 PolarHBondContact O-N 3.39Å
182K66.9Low60.5Low166 Ų16679.5 Ų79.572%0.72241%0.407SS*.  trans-69.775.5178.2-63.2-178.9178.3-179.20110.5L161L161-K182 HydrophobicContact CD2-CB 4.3Å
183L69Low60Low31 Ų3172.9 Ų72.916%0.16238%0.376CS..  trans-88.9-1-168.5-70172000115I160 V166 F181 N185 K186 L187 F213I160-L183 HydrophobicContact CG2-CD2 3.62Å; V166-L183 HydrophobicContact CB-CD2 4.31Å; V166-L183 HydrophobicContact CG1-CD2 4.22Å; V166-L183 HydrophobicContact CG2-CD2 4.18Å; F181-L183 HydrophobicContact CB-CD1 3.99Å; F181-L183 HydrophobicContact CB-CD2 4.31Å; F181-L183 HydrophobicContact CB-CG 3.81Å; F181-L183 WeakPolarHBondContact O-CG 3.32Å; F181-L183 PolarHBondContact O-N 3.39Å; L183-N185 PolarHBondContact O-N 3.41Å; L183-K186 PolarHBondContact O-N 2.91Å; L183-L187 PolarHBondContact O-N 3.29Å; L183-F213 VanDerWaalsContact C-CE1 3.47Å; L183-F213 HydrophobicContact CB-CE1 3.69Å; L183-F213 HydrophobicContact CB-CZ 4.03Å
184E70Confident60Low134 Ų13470.5 Ų70.563%0.62637%0.365SS*.THydrogen-bonded Turntrans-47.6-56.7-163.1-67.8171-171.300114.8F213E184-F213 HydrophobicContact CG-CE1 4.41Å
185N71.8Confident60Low117 Ų11766.2 Ų66.263%0.62634%0.344SS*.THydrogen-bonded Turntrans-99.43.5-177.9-63.5-30000113.5L183L183-N185 PolarHBondContact O-N 3.41Å
186K79.8Confident59.9Low42 Ų4263.4 Ų63.418%0.18334%0.337CS..THydrogen-bonded Turntrans-103.5-29.1-175-63.2-174.2173-148.70112.6I160 L161 A163 F165 V166 L183 I188I160-K186 PolarHBondContact O-NZ 2.97Å; L161-K186 PolarHBondContact O-NZ 3.05Å; A163-K186 WeakPolarHBondContact O-CD 3.45Å; A163-K186 WeakPolarHBondContact O-CE 3.32Å; A163-K186 PolarHBondContact O-NZ 3.4Å; F165-K186 CarbonylContact C-O 3.33Å; F165-K186 WeakPolarHBondContact CA-O 3.28Å; V166-K186 HydrophobicContact CG2-CB 4.33Å; V166-K186 PolarHBondContact N-O 3.08Å; L183-K186 PolarHBondContact O-N 2.91Å; K186-I188 PolarHBondContact O-N 3.21Å
187L79.4Confident59.6Low4 Ų464.5 Ų64.52%0.02134%0.344CS..EExtended strand (participates in β ladder)trans-72.6111.2-179.7-174.165.8000109.9V166 V168 L183 F213 A216V166-L187 WeakPolarHBondContact O-CA 3.35Å; V168-L187 HydrophobicContact CB-CD1 4.01Å; V168-L187 HydrophobicContact CG2-CD1 3.48Å; V168-L187 VanDerWaalsContact CG2-CD1 3.48Å; L183-L187 PolarHBondContact O-N 3.29Å; L187-F213 HydrophobicContact CB-CB 4.49Å; L187-F213 HydrophobicContact CB-CD1 4.15Å; L187-F213 HydrophobicContact CB-CG 4.32Å; L187-F213 HydrophobicContact CD2-CB 3.99Å; L187-F213 HydrophobicContact CD2-CD1 4.19Å; L187-F213 HydrophobicContact CD2-CD2 3.65Å; L187-F213 HydrophobicContact CD2-CE2 4.19Å; L187-F213 HydrophobicContact CD2-CG 3.67Å; L187-A216 HydrophobicContact CB-CB 4.31Å; L187-A216 HydrophobicContact CD2-CB 3.87Å; L187-A216 HydrophobicContact CG-CB 3.73Å; L187-A216 WeakPolarHBondContact O-CA 3.5Å; L187-A216 WeakPolarHBondContact O-CB 3.43Å
188I75.6Confident59Low1 Ų166.9 Ų66.91%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-108.9-20-176.359162.2000113.5F165 V166 K186 H217 F423 M425 I473 T476F165-I188 HydrophobicContact CB-CD1 3.79Å; F165-I188 HydrophobicContact CB-CG1 4.07Å; F165-I188 HydrophobicContact CB-CG2 4.11Å; F165-I188 HydrophobicContact CD1-CG2 3.38Å; F165-I188 HydrophobicContact CE1-CG2 4.11Å; F165-I188 HydrophobicContact CG-CD1 4.25Å; F165-I188 HydrophobicContact CG-CG2 4.01Å; V166-I188 WeakPolarHBondContact O-CG1 3.21Å; V166-I188 PolarHBondContact O-N 3.41Å; K186-I188 PolarHBondContact O-N 3.21Å; I188-H217 PolarHBondContact O-N 3.38Å; I188-F423 HydrophobicContact CB-CE1 4.44Å; I188-M425 HydrophobicContact CG2-CE 3.6Å; I188-M425 HydrophobicContact CG2-SD 4.43Å; I188-I473 HydrophobicContact CD1-CB 4.31Å; I188-I473 HydrophobicContact CD1-CG1 4.34Å; I188-I473 HydrophobicContact CD1-CG2 4.06Å; I188-T476 HydrophobicContact CD1-CG2 3.88Å; I188-T476 HydrophobicContact CG1-CG2 4.22Å
189A72.2Confident58.3Low1 Ų160.5 Ų60.51%0.00834%0.339CS..EExtended strand (participates in β ladder)trans-148.1145.5-177.500000112.6A167 V168 H217 N477A167-A189 WeakPolarHBondContact CA-O 3.33Å; A167-A189 HydrophobicContact CB-CB 3.9Å; V168-A189 PolarHBondContact N-O 3.05Å; A189-H217 CarbonylContact C-O 3.5Å; A189-H217 WeakPolarHBondContact CA-O 3.43Å; A189-N477 WeakPolarHBondContact CB-OD1 3.45Å
190Q68Low57.5Low2 Ų261.2 Ų61.21%0.00935%0.347CS..EExtended strand (participates in β ladder)trans-134.2129.917358.7178.3-0.400112.2V168 Y192 L209 H217 T218 S219V168-Q190 CarbonylContact O-C 3.59Å; V168-Q190 VanDerWaalsContact O-CA 3.3Å; V168-Q190 WeakPolarHBondContact O-CA 3.35Å; Q190-Y192 HydrophobicContact CB-CE2 4.21Å; Q190-Y192 HydrophobicContact CG-CE2 4.07Å; Q190-Y192 PolarHBondContact OE1-OH 3.04Å; Q190-L209 VanDerWaalsContact OE1-CB 3.27Å; Q190-H217 PolarHBondContact N-O 3.24Å; Q190-T218 HydrophobicContact CG-CG2 4.14Å; Q190-T218 PolarHBondContact NE2-OG1 3.24Å; Q190-S219 PolarHBondContact O-N 2.86Å; Q190-S219 PolarHBondContact O-OG 3.35Å
191T64.1Low56.5Low6 Ų663.9 Ų63.94%0.03736%0.361CS..EExtended strand (participates in β ladder)trans-121.7150172.865.70000111.8V168 Q169 A170 S219 P478V168-T191 PolarHBondContact O-N 3.31Å; Q169-T191 WeakPolarHBondContact CA-O 3.3Å; Q169-T191 WeakPolarHBondContact CA-OG1 3.38Å; Q169-T191 VanDerWaalsContact CB-OG1 3.26Å; Q169-T191 WeakPolarHBondContact CB-OG1 3.49Å; Q169-T191 WeakPolarHBondContact CG-OG1 3.29Å; A170-T191 PolarHBondContact N-O 3.06Å; T191-S219 WeakPolarHBondContact CG2-OG 3.44Å; T191-P478 HydrophobicContact CG2-CG 3.82Å
192Y60.7Low55.6Low42 Ų4267.2 Ų67.217%0.16538%0.376CS..EExtended strand (participates in β ladder)trans-129.9135.3179.3-58.8-80.2000111.5A170 Q190 L205 L209 T218 N221A170-Y192 HydrophobicContact CB-CD1 3.8Å; A170-Y192 HydrophobicContact CB-CE1 3.91Å; A170-Y192 CarbonylContact O-C 3.53Å; A170-Y192 WeakPolarHBondContact O-CA 3.45Å; Q190-Y192 HydrophobicContact CB-CE2 4.21Å; Q190-Y192 HydrophobicContact CG-CE2 4.07Å; Q190-Y192 PolarHBondContact OE1-OH 3.04Å; Y192-L205 HydrophobicContact CD1-CD2 4.19Å; Y192-L205 HydrophobicContact CE1-CD2 3.49Å; Y192-L205 VanDerWaalsContact CE1-CD2 3.49Å; Y192-L205 HydrophobicContact CE1-CG 4.22Å; Y192-L209 WeakPolarHBondContact OH-CD1 3.5Å; Y192-T218 HydrophobicContact CE2-CG2 4.36Å; Y192-N221 WeakPolarHBondContact O-CB 3.34Å; Y192-N221 PolarHBondContact O-ND2 3.41Å
193D44.8Very low54.6Low20 Ų2065.3 Ų65.311%0.10738%0.379CS..SBendtrans-92.7105.4169.3-174.615.7000110.6A170 F488 K492A170-D193 PolarHBondContact O-N 3.05Å; D193-F488 HydrophobicContact CB-CD2 3.76Å; D193-F488 HydrophobicContact CB-CE2 3.67Å; D193-K492 IonicContact OD2-NZ 3.35Å
194G46.1Very low54.1Low15 Ų1565.2 Ų65.216%0.15539%0.385CS..SBendtrans97139.3170.400000116
195A41.7Very low53.5Low49 Ų4961 Ų6141%0.40537%0.366SS..  trans40.295.416700000116.1V197A195-V197 PolarHBondContact O-N 3.21Å
196V39.4Very low53Low98 Ų9858.1 Ų58.159%0.59435%0.349SS*.SBendtrans-56.517.3148.6173.60000112.3F220V196-F220 HydrophobicContact CB-CE1 4.31Å; V196-F220 HydrophobicContact CB-CZ 4.28Å; V196-F220 HydrophobicContact CG1-CE1 4.11Å; V196-F220 HydrophobicContact CG1-CZ 3.73Å; V196-F220 HydrophobicContact CG2-CD1 4.21Å; V196-F220 HydrophobicContact CG2-CE1 3.25Å; V196-F220 HydrophobicContact CG2-CZ 3.44Å; V196-F220 VanDerWaalsContact CG2-CZ 3.44Å
197V40.5Very low52.3Low97 Ų9759.5 Ų59.559%0.58836%0.361SS*.  trans-140.376.1-173-168.90000108.8A195 S199A195-V197 PolarHBondContact O-N 3.21Å; V197-S199 PolarHBondContact O-N 3.3Å
198M31.7Very low51.6Low144 Ų14464.4 Ų64.471%0.70938%0.379SS*.  trans-78.486.5133-75.5-168.963.200106.1G200M198-G200 PolarHBondContact O-N 3.32Å; M198-G200 VanDerWaalsContact O-N 3.1Å
199S36.5Very low51.3Low110 Ų11066 Ų6677%0.76939%0.387SS*.  trans-65.1105.7160.749.70000106.9V197V197-S199 PolarHBondContact O-N 3.3Å
200G35.9Very low51.1Low51 Ų5170.2 Ų70.253%0.52641%0.407SS..SBendtrans175159.8-177.100000108M198 F202M198-G200 PolarHBondContact O-N 3.32Å; M198-G200 VanDerWaalsContact O-N 3.1Å; G200-F202 PolarHBondContact O-N 2.83Å
201T32.9Very low51.3Low140 Ų14076.8 Ų76.886%0.85944%0.438SS*.SBendtrans-51.30.9-170.731.80000117.7
202F40.8Very low51.5Low141 Ų14179.5 Ų79.562%0.61846%0.457SS*.SBendtrans-12079.2174.5-59.8-73.5000111.8G200 G204G200-F202 PolarHBondContact O-N 2.83Å; F202-G204 WeakPolarHBondContact O-CA 3.19Å; F202-G204 PolarHBondContact O-N 3.23Å
203T44.8Very low52.2Low127 Ų12779 Ų7978%0.77946%0.456SS*.  trans-53.2112.1148.539.70000108.9
204G58.8Low53.3Low28 Ų2882.2 Ų82.229%0.28948%0.478SS..  cis-178.1133.1-10.100000102.3F202 Q206 V207F202-G204 WeakPolarHBondContact O-CA 3.19Å; F202-G204 PolarHBondContact O-N 3.23Å; G204-Q206 PolarHBondContact O-N 2.87Å; G204-V207 PolarHBondContact O-N 3.34Å
205L58.5Low54.4Low46 Ų4685 Ų8524%0.24149%0.487CS..Hα-helixtrans-41.4-39.5-169.9177.369.4000115T173 V176 Y192 V207 R208 L209T173-L205 WeakPolarHBondContact OG1-CD2 3.39Å; V176-L205 HydrophobicContact CG2-CD1 3.5Å; Y192-L205 HydrophobicContact CD1-CD2 4.19Å; Y192-L205 HydrophobicContact CE1-CD2 3.49Å; Y192-L205 VanDerWaalsContact CE1-CD2 3.49Å; Y192-L205 HydrophobicContact CE1-CG 4.22Å; L205-V207 PolarHBondContact O-N 2.96Å; L205-R208 PolarHBondContact O-N 3.49Å; L205-L209 HydrophobicContact CD1-CD1 4.02Å; L205-L209 HydrophobicContact CD1-CG 4.46Å; L205-L209 HydrophobicContact CG-CD1 3.97Å; L205-L209 PolarHBondContact O-N 2.79Å
206Q61.2Low55.6Low57 Ų5782.7 Ų82.727%0.26647%0.468SS..Hα-helixtrans-54.2-49.6175.1-177.5-163.7-9.200113.5G204 R208 L209 Q210 T218 F220G204-Q206 PolarHBondContact O-N 2.87Å; Q206-R208 VanDerWaalsContact C-N 3.32Å; Q206-R208 PolarHBondContact O-N 3.35Å; Q206-L209 PolarHBondContact O-N 2.73Å; Q206-Q210 VanDerWaalsContact O-CB 3.32Å; Q206-Q210 WeakPolarHBondContact O-CB 3.47Å; Q206-Q210 PolarHBondContact O-N 3.18Å; Q206-T218 HydrophobicContact CG-CG2 3.96Å; Q206-T218 PolarHBondContact NE2-OG1 3.48Å; Q206-F220 VanDerWaalsContact OE1-CE2 3.26Å
207V64Low57Low71 Ų7180.4 Ų80.443%0.4345%0.451SS..Hα-helixtrans-64.3-42.8-176.9175.40000109.3G204 L205 L209 Q210 E211G204-V207 PolarHBondContact O-N 3.34Å; L205-V207 PolarHBondContact O-N 2.96Å; V207-L209 PolarHBondContact O-N 2.85Å; V207-Q210 PolarHBondContact O-N 2.94Å; V207-E211 HydrophobicContact CG1-CG 4.48Å; V207-E211 WeakPolarHBondContact O-CB 3.43Å; V207-E211 VanDerWaalsContact O-CG 3.28Å; V207-E211 WeakPolarHBondContact O-CG 3.3Å; V207-E211 PolarHBondContact O-N 2.94Å
208R66.1Low57.8Low107 Ų10777.1 Ų77.140%0.40443%0.431SS..Hα-helixtrans-65.3-38.8178-69-175.8174177.6-3.3113.1L205 Q206 S212L205-R208 PolarHBondContact O-N 3.49Å; Q206-R208 VanDerWaalsContact C-N 3.32Å; Q206-R208 PolarHBondContact O-N 3.35Å; R208-S212 WeakPolarHBondContact O-CB 3.15Å; R208-S212 PolarHBondContact O-N 3.13Å; R208-S212 VanDerWaalsContact O-N 3.08Å; R208-S212 PolarHBondContact O-OG 3.4Å
209L68.6Low58.8Low33 Ų3371.4 Ų71.417%0.17341%0.405CS..Hα-helixtrans-71-36.1175-80.9168.5000111.3Q190 Y192 L205 Q206 V207 S212 F213Q190-L209 VanDerWaalsContact OE1-CB 3.27Å; Y192-L209 WeakPolarHBondContact OH-CD1 3.5Å; L205-L209 HydrophobicContact CD1-CD1 4.02Å; L205-L209 HydrophobicContact CD1-CG 4.46Å; L205-L209 HydrophobicContact CG-CD1 3.97Å; L205-L209 PolarHBondContact O-N 2.79Å; Q206-L209 PolarHBondContact O-N 2.73Å; V207-L209 PolarHBondContact O-N 2.85Å; L209-S212 CarbonylContact O-C 3.44Å; L209-S212 PolarHBondContact O-N 2.91Å; L209-F213 HydrophobicContact CD2-CD2 3.71Å; L209-F213 HydrophobicContact CD2-CE2 3.57Å; L209-F213 WeakPolarHBondContact O-CA 3.28Å; L209-F213 WeakPolarHBondContact O-CB 3.12Å; L209-F213 WeakPolarHBondContact O-CD2 3.28Å; L209-F213 PolarHBondContact O-N 3.36Å
210Q68.2Low59.4Low91 Ų9169.1 Ų69.143%0.42538%0.381SS..Hα-helixtrans-71.3-32.7176-164.6164.61.700112.7Q206 V207 S212 F213Q206-Q210 VanDerWaalsContact O-CB 3.32Å; Q206-Q210 WeakPolarHBondContact O-CB 3.47Å; Q206-Q210 PolarHBondContact O-N 3.18Å; V207-Q210 PolarHBondContact O-N 2.94Å; Q210-S212 VanDerWaalsContact C-N 3.33Å; Q210-F213 CarbonylContact O-C 3.54Å
211E71.4Confident59.9Low139 Ų13968.3 Ų68.365%0.6537%0.365SS*.Hα-helixtrans-64.4-37.3168.7-75.8169.6176.400111.9V207V207-E211 HydrophobicContact CG1-CG 4.48Å; V207-E211 WeakPolarHBondContact O-CB 3.43Å; V207-E211 VanDerWaalsContact O-CG 3.28Å; V207-E211 WeakPolarHBondContact O-CG 3.3Å; V207-E211 PolarHBondContact O-N 2.94Å
212S69.5Low60.2Low64 Ų6471.1 Ų71.145%0.44836%0.359SS..Hα-helixtrans-84.1-28-178.8-54.90000113.1R208 L209 Q210R208-S212 WeakPolarHBondContact O-CB 3.15Å; R208-S212 PolarHBondContact O-N 3.13Å; R208-S212 VanDerWaalsContact O-N 3.08Å; R208-S212 PolarHBondContact O-OG 3.4Å; L209-S212 CarbonylContact O-C 3.44Å; L209-S212 PolarHBondContact O-N 2.91Å; Q210-S212 VanDerWaalsContact C-N 3.33Å
213F74.2Confident60Low30 Ų3067.8 Ų67.813%0.13234%0.343CS..  trans-135.681.7-175.1-54.6-77000109.7L183 E184 L187 L209 Q210 H215 A216L183-F213 VanDerWaalsContact C-CE1 3.47Å; L183-F213 HydrophobicContact CB-CE1 3.69Å; L183-F213 HydrophobicContact CB-CZ 4.03Å; E184-F213 HydrophobicContact CG-CE1 4.41Å; L187-F213 HydrophobicContact CB-CB 4.49Å; L187-F213 HydrophobicContact CB-CD1 4.15Å; L187-F213 HydrophobicContact CB-CG 4.32Å; L187-F213 HydrophobicContact CD2-CB 3.99Å; L187-F213 HydrophobicContact CD2-CD1 4.19Å; L187-F213 HydrophobicContact CD2-CD2 3.65Å; L187-F213 HydrophobicContact CD2-CE2 4.19Å; L187-F213 HydrophobicContact CD2-CG 3.67Å; L209-F213 HydrophobicContact CD2-CD2 3.71Å; L209-F213 HydrophobicContact CD2-CE2 3.57Å; L209-F213 WeakPolarHBondContact O-CA 3.28Å; L209-F213 WeakPolarHBondContact O-CB 3.12Å; L209-F213 WeakPolarHBondContact O-CD2 3.28Å; L209-F213 PolarHBondContact O-N 3.36Å; Q210-F213 CarbonylContact O-C 3.54Å; F213-H215 PolarHBondContact O-N 3.25Å; F213-A216 HydrophobicContact CB-CB 3.73Å; F213-A216 WeakPolarHBondContact O-CB 3.35Å; F213-A216 PolarHBondContact O-N 3.01Å
214P68.4Low59.5Low89 Ų8963.4 Ų63.458%0.57832%0.32SS*.THydrogen-bonded Turntrans-62.8-27.3-174.4-23.734.2000114A216P214-A216 VanDerWaalsContact C-N 3.34Å
215H68.8Low58.4Low73 Ų7365.3 Ų65.334%0.33832%0.321SS..THydrogen-bonded Turntrans-85.9-3.1179.6-53.8100.3000113.4F213 H217F213-H215 PolarHBondContact O-N 3.25Å; H215-H217 PolarHBondContact O-CD2 3.02Å; H215-H217 PolarHBondContact O-N 3.35Å; H215-H217 PolarHBondContact O-NE2 3.25Å
216A68.3Low57.4Low1 Ų173.3 Ų73.31%0.00835%0.348CS..  trans-87.5107.5-179.600000110.7L187 F213 P214L187-A216 HydrophobicContact CB-CB 4.31Å; L187-A216 HydrophobicContact CD2-CB 3.87Å; L187-A216 HydrophobicContact CG-CB 3.73Å; L187-A216 WeakPolarHBondContact O-CA 3.5Å; L187-A216 WeakPolarHBondContact O-CB 3.43Å; F213-A216 HydrophobicContact CB-CB 3.73Å; F213-A216 WeakPolarHBondContact O-CB 3.35Å; F213-A216 PolarHBondContact O-N 3.01Å; P214-A216 VanDerWaalsContact C-N 3.34Å
217H68Low56.3Low50 Ų5071.6 Ų71.623%0.23134%0.34CS..EExtended strand (participates in β ladder)trans-77.1136.2179.1-64.6-80.4000111.2I188 A189 Q190 H215 S219 Y422 F423I188-H217 PolarHBondContact O-N 3.38Å; A189-H217 CarbonylContact C-O 3.5Å; A189-H217 WeakPolarHBondContact CA-O 3.43Å; Q190-H217 PolarHBondContact N-O 3.24Å; H215-H217 PolarHBondContact O-CD2 3.02Å; H215-H217 PolarHBondContact O-N 3.35Å; H215-H217 PolarHBondContact O-NE2 3.25Å; H217-S219 PolarHBondContact O-N 3.1Å; H217-Y422 PolarHBondContact CE1-O 2.66Å; H217-Y422 PolarHBondContact NE2-O 3Å; H217-F423 AromaticContact CD2-CE1 3.76Å
218T58.3Low54.9Low28 Ų2870 Ų7017%0.17233%0.332CS..EExtended strand (participates in β ladder)trans-82.698.8174-460000109.4Q190 Y192 Q206 F220Q190-T218 HydrophobicContact CG-CG2 4.14Å; Q190-T218 PolarHBondContact NE2-OG1 3.24Å; Y192-T218 HydrophobicContact CE2-CG2 4.36Å; Q206-T218 HydrophobicContact CG-CG2 3.96Å; Q206-T218 PolarHBondContact NE2-OG1 3.48Å; T218-F220 VanDerWaalsContact C-N 3.29Å; T218-F220 HydrophobicContact CG2-CD2 3.62Å; T218-F220 HydrophobicContact CG2-CE2 4.31Å; T218-F220 HydrophobicContact CG2-CG 4.48Å; T218-F220 PolarHBondContact O-N 3.04Å
219S52.6Low53.8Low23 Ų2371.8 Ų71.816%0.16135%0.345CS..  trans-68.889.7164.834.20000108.6Q190 T191 H217 N221Q190-S219 PolarHBondContact O-N 2.86Å; Q190-S219 PolarHBondContact O-OG 3.35Å; T191-S219 WeakPolarHBondContact CG2-OG 3.44Å; H217-S219 PolarHBondContact O-N 3.1Å; S219-N221 PolarHBondContact O-N 3.38Å
220F48.7Very low52.8Low62 Ų6271 Ų7127%0.27234%0.342SS..  trans-78.6105.4-165.6-145.3-87.3000111.9V196 Q206 T218 R222 K389V196-F220 HydrophobicContact CB-CE1 4.31Å; V196-F220 HydrophobicContact CB-CZ 4.28Å; V196-F220 HydrophobicContact CG1-CE1 4.11Å; V196-F220 HydrophobicContact CG1-CZ 3.73Å; V196-F220 HydrophobicContact CG2-CD1 4.21Å; V196-F220 HydrophobicContact CG2-CE1 3.25Å; V196-F220 HydrophobicContact CG2-CZ 3.44Å; V196-F220 VanDerWaalsContact CG2-CZ 3.44Å; Q206-F220 VanDerWaalsContact OE1-CE2 3.26Å; T218-F220 VanDerWaalsContact C-N 3.29Å; T218-F220 HydrophobicContact CG2-CD2 3.62Å; T218-F220 HydrophobicContact CG2-CE2 4.31Å; T218-F220 HydrophobicContact CG2-CG 4.48Å; T218-F220 PolarHBondContact O-N 3.04Å; F220-R222 PolarHBondContact O-N 3.37Å; F220-K389 PolarHBondContact O-NZ 3.44Å
221N47.1Very low51.6Low35 Ų3573.2 Ų73.219%0.18735%0.352CS..  trans-79.487.7170.1-166.68.6000109.2Y192 S219 R223 S481Y192-N221 WeakPolarHBondContact O-CB 3.34Å; Y192-N221 PolarHBondContact O-ND2 3.41Å; S219-N221 PolarHBondContact O-N 3.38Å; N221-R223 PolarHBondContact O-N 3.09Å; N221-S481 WeakPolarHBondContact ND2-CB 3.15Å; N221-S481 WeakPolarHBondContact OD1-CB 3.5Å; N221-S481 PolarHBondContact OD1-OG 3.31Å
222R37.7Very low50.5Low198 Ų19868.9 Ų68.975%0.74733%0.33SS*.  trans-71.3106.6162.1-173176.2-87170.3-4.5104.4F220 A224F220-R222 PolarHBondContact O-N 3.37Å; R222-A224 PolarHBondContact O-N 3.48Å; R222-A224 VanDerWaalsContact O-N 3.13Å
223R36.9Very low49.6Very low71 Ų7166.4 Ų66.427%0.26831%0.312SS..  trans-29.9127.6157.9-107.3-178.2-174.8154.113.1106.1N221 H225N221-R223 PolarHBondContact O-N 3.09Å; R223-H225 HydrophobicContact CB-CB 3.9Å; R223-H225 VanDerWaalsContact CD-CD2 3.46Å; R223-H225 WeakPolarHBondContact CD-CD2 3.46Å; R223-H225 PolarHBondContact O-N 2.92Å
224A34.7Very low48.4Very low36 Ų3667 Ų6730%0.29832%0.316SS..SBendtrans-65.728.2166.500000112.5R222 R226 W264R222-A224 PolarHBondContact O-N 3.48Å; R222-A224 VanDerWaalsContact O-N 3.13Å; A224-R226 VanDerWaalsContact C-N 3.32Å; A224-R226 PolarHBondContact O-N 3.5Å; A224-W264 HydrophobicContact CB-CD2 4.02Å; A224-W264 HydrophobicContact CB-CG 4.45Å; A224-W264 HydrophobicContact CB-CH2 4.23Å; A224-W264 HydrophobicContact CB-CZ2 3.4Å
225H35.6Very low47.5Very low68 Ų6865.9 Ų65.932%0.31530%0.303SS..  trans-83.282165.7-74.7-85.1000108.5R223 M262R223-H225 HydrophobicContact CB-CB 3.9Å; R223-H225 VanDerWaalsContact CD-CD2 3.46Å; R223-H225 WeakPolarHBondContact CD-CD2 3.46Å; R223-H225 PolarHBondContact O-N 2.92Å; H225-M262 VanDerWaalsContact CE1-CB 3.46Å; H225-M262 WeakPolarHBondContact CE1-CB 3.5Å; H225-M262 WeakPolarHBondContact CE1-CG 3.43Å; H225-M262 PolarHBondContact CE1-SD 3.3Å; H225-M262 PolarHBondContact ND1-SD 3.37Å; H225-M262 VanDerWaalsContact NE2-CB 3.27Å; H225-M262 WeakPolarHBondContact NE2-CB 3.14Å; H225-M262 PolarHBondContact NE2-SD 2.99Å
226R37.3Very low46.7Very low213 Ų21362.7 Ų62.780%0.80429%0.288SS*.  177.588.3103.5-87.1166.8-161.5-161.46.2104.3A224 P228 Q382A224-R226 VanDerWaalsContact C-N 3.32Å; A224-R226 PolarHBondContact O-N 3.5Å; R226-P228 WeakPolarHBondContact O-CD 3.4Å; R226-P228 VanDerWaalsContact O-N 3.14Å; R226-Q382 PolarHBondContact O-NE2 3.07Å
227L38Very low45.9Very low21 Ų2164.9 Ų64.911%0.1130%0.298CS..SBendtrans-50.3120.3138.2-79.2164.2000103.6Q229 F233 I378 M379L227-Q229 PolarHBondContact O-N 2.95Å; L227-Q229 VanDerWaalsContact O-N 3.07Å; L227-F233 HydrophobicContact CD1-CE1 3.87Å; L227-F233 HydrophobicContact CD1-CE2 3.98Å; L227-F233 HydrophobicContact CD1-CZ 3.49Å; L227-F233 VanDerWaalsContact CD1-CZ 3.49Å; L227-I378 HydrophobicContact CD2-CG2 4.27Å; L227-M379 HydrophobicContact CD2-CG 3.85Å
228P35.4Very low45Very low39 Ų3969.5 Ų69.525%0.25331%0.313SS..  trans-53131.7169.726.8-34.3000104R226 S230 K374 I378R226-P228 WeakPolarHBondContact O-CD 3.4Å; R226-P228 VanDerWaalsContact O-N 3.14Å; P228-S230 PolarHBondContact O-N 3.01Å; P228-K374 HydrophobicContact CG-CG 4.47Å; P228-I378 HydrophobicContact CB-CD1 4.37Å; P228-I378 HydrophobicContact CG-CD1 3.18Å
229Q43Very low44.5Very low144 Ų14469.1 Ų69.167%0.67331%0.31SS*.  trans-57.785.1172-69.5-178.8-14.100106.7L227 E231 L234L227-Q229 PolarHBondContact O-N 2.95Å; L227-Q229 VanDerWaalsContact O-N 3.07Å; Q229-E231 PolarHBondContact O-N 3.23Å; Q229-L234 HydrophobicContact CB-CD1 3.6Å; Q229-L234 HydrophobicContact CB-CG 3.9Å; Q229-L234 HydrophobicContact CG-CD1 4.21Å; Q229-L234 HydrophobicContact CG-CG 4.2Å
230S46.1Very low44.4Very low17 Ų1768.6 Ų68.612%0.11931%0.305CS..  trans-61.8133.2161.863.10000104.1P228 Y232 F233 L234 C375P228-S230 PolarHBondContact O-N 3.01Å; S230-Y232 PolarHBondContact O-N 3.29Å; S230-F233 PolarHBondContact O-N 3.43Å; S230-F233 WeakPolarHBondContact OG-CB 3.37Å; S230-F233 PolarHBondContact OG-N 2.96Å; S230-L234 PolarHBondContact O-N 3.15Å; S230-C375 VanDerWaalsContact CB-SG 3.57Å; S230-C375 PolarHBondContact OG-SG 3.12Å
231E44.7Very low44.3Very low137 Ų13768 Ų6864%0.6431%0.308SS*.Hα-helixtrans-48.3-31.6179.1-101.2177.5132.700112Q229 L234 Q235Q229-E231 PolarHBondContact O-N 3.23Å; E231-L234 CarbonylContact O-C 3.35Å; E231-L234 WeakPolarHBondContact O-CB 3.46Å; E231-L234 PolarHBondContact O-N 3.46Å; E231-Q235 WeakPolarHBondContact O-CB 3.4Å; E231-Q235 VanDerWaalsContact O-CG 3.25Å; E231-Q235 WeakPolarHBondContact O-CG 3.33Å; E231-Q235 PolarHBondContact O-N 3.25Å
232Y48.3Very low44.2Very low47 Ų4771.4 Ų71.418%0.18433%0.333CS..Hα-helixtrans-67-43.2175-61.5-72.5000114.1S230 L234 Q235 I236 I313 R368S230-Y232 PolarHBondContact O-N 3.29Å; Y232-L234 VanDerWaalsContact C-N 3.34Å; Y232-Q235 WeakPolarHBondContact O-CB 3.48Å; Y232-Q235 PolarHBondContact O-N 3.39Å; Y232-Q235 VanDerWaalsContact O-N 3.16Å; Y232-I236 WeakPolarHBondContact O-CG1 3Å; Y232-I236 PolarHBondContact O-N 3.26Å; Y232-I313 HydrophobicContact CD1-CD1 4.03Å; Y232-I313 HydrophobicContact CE1-CD1 4.45Å; Y232-I313 HydrophobicContact CG-CD1 4.17Å; Y232-R368 VanDerWaalsContact OH-CD 3.3Å; Y232-R368 WeakPolarHBondContact OH-CD 3.27Å; Y232-R368 PolarHBondContact OH-NE 3.31Å; Y232-R368 PolarHBondContact OH-NH1 3.47Å
233F49.5Very low44.6Very low13 Ų1370.3 Ų70.36%0.05733%0.333CS..Hα-helixtrans-64.6-43.9173.6-156.1-108.5000109.4L227 S230 Q235 I236 F237 K267 F317 F321L227-F233 HydrophobicContact CD1-CE1 3.87Å; L227-F233 HydrophobicContact CD1-CE2 3.98Å; L227-F233 HydrophobicContact CD1-CZ 3.49Å; L227-F233 VanDerWaalsContact CD1-CZ 3.49Å; S230-F233 PolarHBondContact O-N 3.43Å; S230-F233 WeakPolarHBondContact OG-CB 3.37Å; S230-F233 PolarHBondContact OG-N 2.96Å; F233-Q235 VanDerWaalsContact C-N 3.28Å; F233-Q235 PolarHBondContact O-N 3.45Å; F233-I236 PolarHBondContact O-N 2.64Å; F233-F237 AromaticContact CD1-CD2 3.47Å; F233-F237 HydrophobicContact CD1-CD2 3.47Å; F233-F237 VanDerWaalsContact CD1-CD2 3.47Å; F233-F237 AromaticContact CD1-CE2 3.35Å; F233-F237 HydrophobicContact CD1-CE2 3.35Å; F233-F237 AromaticContact CD2-CE2 3.93Å; F233-F237 HydrophobicContact CD2-CE2 3.93Å; F233-F237 AromaticContact CE1-CD2 3.63Å; F233-F237 HydrophobicContact CE1-CD2 3.63Å; F233-F237 AromaticContact CE1-CE2 3.08Å; F233-F237 HydrophobicContact CE1-CE2 3.08Å; F233-F237 AromaticContact CE1-CZ 3.98Å; F233-F237 HydrophobicContact CE1-CZ 3.98Å; F233-F237 AromaticContact CE2-CE2 3.69Å; F233-F237 HydrophobicContact CE2-CE2 3.69Å; F233-F237 HydrophobicContact CE2-CZ 4.43Å; F233-F237 AromaticContact CG-CD2 3.98Å; F233-F237 HydrophobicContact CG-CD2 3.98Å; F233-F237 AromaticContact CG-CE2 3.78Å; F233-F237 HydrophobicContact CG-CE2 3.78Å; F233-F237 HydrophobicContact CZ-CD2 4.25Å; F233-F237 AromaticContact CZ-CE2 3.28Å; F233-F237 HydrophobicContact CZ-CE2 3.28Å; F233-F237 AromaticContact CZ-CZ 3.9Å; F233-F237 HydrophobicContact CZ-CZ 3.9Å; F233-F237 WeakPolarHBondContact O-CD2 3.44Å; F233-F237 PolarHBondContact O-N 2.96Å; F233-K267 HydrophobicContact CE1-CD 3.9Å; F233-K267 HydrophobicContact CZ-CD 3.88Å; F233-F317 HydrophobicContact CD2-CE1 4.47Å; F233-F317 HydrophobicContact CD2-CZ 4.28Å; F233-F317 HydrophobicContact CE2-CE1 4.46Å; F233-F321 HydrophobicContact CE2-CE2 4.24Å; F233-F321 AromaticContact CE2-CZ 3.97Å; F233-F321 HydrophobicContact CE2-CZ 3.97Å; F233-F321 HydrophobicContact CZ-CZ 4.19Å
234L48.6Very low45.2Very low42 Ų4270 Ų7022%0.2233%0.332CS..Hα-helixtrans-58.7-36.2171-89.7166.9000112.6Q229 S230 E231 Y232 F237 R238Q229-L234 HydrophobicContact CB-CD1 3.6Å; Q229-L234 HydrophobicContact CB-CG 3.9Å; Q229-L234 HydrophobicContact CG-CD1 4.21Å; Q229-L234 HydrophobicContact CG-CG 4.2Å; S230-L234 PolarHBondContact O-N 3.15Å; E231-L234 CarbonylContact O-C 3.35Å; E231-L234 WeakPolarHBondContact O-CB 3.46Å; E231-L234 PolarHBondContact O-N 3.46Å; Y232-L234 VanDerWaalsContact C-N 3.34Å; L234-F237 CarbonylContact O-C 3.59Å; L234-F237 PolarHBondContact O-N 3.32Å; L234-R238 WeakPolarHBondContact O-CA 3.04Å; L234-R238 WeakPolarHBondContact O-CB 2.96Å; L234-R238 WeakPolarHBondContact O-CD 3.26Å; L234-R238 WeakPolarHBondContact O-CG 3.14Å; L234-R238 PolarHBondContact O-N 3.19Å
235Q50.5Low46Very low66 Ų6668.7 Ų68.731%0.30832%0.321SS..Hα-helixtrans-66.6-46.6176.1-81168.4-9.700111.3E231 Y232 F233 F237 R238 L239E231-Q235 WeakPolarHBondContact O-CB 3.4Å; E231-Q235 VanDerWaalsContact O-CG 3.25Å; E231-Q235 WeakPolarHBondContact O-CG 3.33Å; E231-Q235 PolarHBondContact O-N 3.25Å; Y232-Q235 WeakPolarHBondContact O-CB 3.48Å; Y232-Q235 PolarHBondContact O-N 3.39Å; Y232-Q235 VanDerWaalsContact O-N 3.16Å; F233-Q235 VanDerWaalsContact C-N 3.28Å; F233-Q235 PolarHBondContact O-N 3.45Å; Q235-F237 VanDerWaalsContact C-N 3.32Å; Q235-F237 PolarHBondContact O-N 3.4Å; Q235-R238 PolarHBondContact O-N 3.21Å; Q235-L239 WeakPolarHBondContact O-CG 3.5Å; Q235-L239 PolarHBondContact O-N 3.29Å; Q235-L239 VanDerWaalsContact O-N 3.12Å
236I51.8Low46.7Very low5 Ų568 Ų683%0.02633%0.327CS..Hα-helixtrans-57.6-44.1172.5-64.2167.7000110.6Y232 F233 L239 V271 F310 I313 F317Y232-I236 WeakPolarHBondContact O-CG1 3Å; Y232-I236 PolarHBondContact O-N 3.26Å; F233-I236 PolarHBondContact O-N 2.64Å; I236-L239 VanDerWaalsContact O-CB 3.26Å; I236-L239 WeakPolarHBondContact O-CB 3.41Å; I236-L239 PolarHBondContact O-N 2.86Å; I236-V271 HydrophobicContact CG2-CG2 4.4Å; I236-F310 HydrophobicContact CD1-CE2 4.32Å; I236-F310 HydrophobicContact CG1-CD2 4.47Å; I236-F310 HydrophobicContact CG1-CE2 3.45Å; I236-F310 VanDerWaalsContact CG1-CE2 3.45Å; I236-F310 HydrophobicContact CG1-CZ 3.9Å; I236-I313 HydrophobicContact CD1-CG2 4.47Å; I236-F317 HydrophobicContact CD1-CD2 4.44Å
237F50.3Low47.3Very low47 Ų4761.3 Ų61.321%0.20631%0.309CS..Hα-helixtrans-75.1-25.5177.6-74.1-69.3000114.4F233 L234 Q235 L239 L240 K267F233-F237 AromaticContact CD1-CD2 3.47Å; F233-F237 HydrophobicContact CD1-CD2 3.47Å; F233-F237 VanDerWaalsContact CD1-CD2 3.47Å; F233-F237 AromaticContact CD1-CE2 3.35Å; F233-F237 HydrophobicContact CD1-CE2 3.35Å; F233-F237 AromaticContact CD2-CE2 3.93Å; F233-F237 HydrophobicContact CD2-CE2 3.93Å; F233-F237 AromaticContact CE1-CD2 3.63Å; F233-F237 HydrophobicContact CE1-CD2 3.63Å; F233-F237 AromaticContact CE1-CE2 3.08Å; F233-F237 HydrophobicContact CE1-CE2 3.08Å; F233-F237 AromaticContact CE1-CZ 3.98Å; F233-F237 HydrophobicContact CE1-CZ 3.98Å; F233-F237 AromaticContact CE2-CE2 3.69Å; F233-F237 HydrophobicContact CE2-CE2 3.69Å; F233-F237 HydrophobicContact CE2-CZ 4.43Å; F233-F237 AromaticContact CG-CD2 3.98Å; F233-F237 HydrophobicContact CG-CD2 3.98Å; F233-F237 AromaticContact CG-CE2 3.78Å; F233-F237 HydrophobicContact CG-CE2 3.78Å; F233-F237 HydrophobicContact CZ-CD2 4.25Å; F233-F237 AromaticContact CZ-CE2 3.28Å; F233-F237 HydrophobicContact CZ-CE2 3.28Å; F233-F237 AromaticContact CZ-CZ 3.9Å; F233-F237 HydrophobicContact CZ-CZ 3.9Å; F233-F237 WeakPolarHBondContact O-CD2 3.44Å; F233-F237 PolarHBondContact O-N 2.96Å; L234-F237 CarbonylContact O-C 3.59Å; L234-F237 PolarHBondContact O-N 3.32Å; Q235-F237 VanDerWaalsContact C-N 3.32Å; Q235-F237 PolarHBondContact O-N 3.4Å; F237-L239 VanDerWaalsContact C-N 3.28Å; F237-L239 PolarHBondContact O-N 3.36Å; F237-L240 HydrophobicContact CD1-CD1 3.87Å; F237-L240 HydrophobicContact CE1-CD1 4.17Å; F237-L240 WeakPolarHBondContact O-CB 3.49Å; F237-L240 PolarHBondContact O-N 3.19Å; F237-K267 HydrophobicContact CE1-CB 4.14Å; F237-K267 HydrophobicContact CE1-CD 4.12Å; F237-K267 HydrophobicContact CE1-CG 3.62Å; F237-K267 HydrophobicContact CE2-CD 4.13Å; F237-K267 HydrophobicContact CE2-CG 4.38Å; F237-K267 HydrophobicContact CZ-CB 3.63Å; F237-K267 HydrophobicContact CZ-CD 3.62Å; F237-K267 HydrophobicContact CZ-CG 3.41Å; F237-K267 VanDerWaalsContact CZ-CG 3.41Å
238R49.2Very low48Very low147 Ų14761.1 Ų61.156%0.55531%0.309SS*.Hα-helixtrans-71.3-22.4171.6-79.8168-178.9-179.12.2111.6L234 Q235 L240 R244L234-R238 WeakPolarHBondContact O-CA 3.04Å; L234-R238 WeakPolarHBondContact O-CB 2.96Å; L234-R238 WeakPolarHBondContact O-CD 3.26Å; L234-R238 WeakPolarHBondContact O-CG 3.14Å; L234-R238 PolarHBondContact O-N 3.19Å; Q235-R238 PolarHBondContact O-N 3.21Å; R238-L240 PolarHBondContact O-N 3.49Å; R238-R244 PolarHBondContact O-NH1 3.26Å
239L49.4Very low49Very low21 Ų2161.8 Ų61.811%0.1131%0.31CS..THydrogen-bonded Turntrans-59.4-23.6166.1-56.7175.1000111.8Q235 I236 F237 R244 L301 L304 F310Q235-L239 WeakPolarHBondContact O-CG 3.5Å; Q235-L239 PolarHBondContact O-N 3.29Å; Q235-L239 VanDerWaalsContact O-N 3.12Å; I236-L239 VanDerWaalsContact O-CB 3.26Å; I236-L239 WeakPolarHBondContact O-CB 3.41Å; I236-L239 PolarHBondContact O-N 2.86Å; F237-L239 VanDerWaalsContact C-N 3.28Å; F237-L239 PolarHBondContact O-N 3.36Å; L239-R244 WeakPolarHBondContact O-CB 3.18Å; L239-R244 VanDerWaalsContact O-CD 3.29Å; L239-R244 WeakPolarHBondContact O-CD 3.46Å; L239-L301 HydrophobicContact CB-CD2 4.37Å; L239-L301 HydrophobicContact CD2-CD2 3.05Å; L239-L301 HydrophobicContact CD2-CG 4.3Å; L239-L301 HydrophobicContact CG-CD2 4.29Å; L239-L304 HydrophobicContact CD1-CD2 4.03Å; L239-L304 HydrophobicContact CD2-CD2 3.63Å; L239-L304 HydrophobicContact CG-CD2 4.13Å; L239-F310 HydrophobicContact CD1-CE2 4.42Å; L239-F310 HydrophobicContact CD1-CZ 3.77Å
240L49.9Very low49.5Very low12 Ų1263.8 Ų63.86%0.06332%0.316CS..THydrogen-bonded Turntrans-108.527.4-166.1-60160.2000113.7F237 R238 T270F237-L240 HydrophobicContact CD1-CD1 3.87Å; F237-L240 HydrophobicContact CE1-CD1 4.17Å; F237-L240 WeakPolarHBondContact O-CB 3.49Å; F237-L240 PolarHBondContact O-N 3.19Å; R238-L240 PolarHBondContact O-N 3.49Å; L240-T270 HydrophobicContact CD1-CG2 3.33Å; L240-T270 HydrophobicContact CD2-CG2 3.49Å; L240-T270 VanDerWaalsContact CD2-CG2 3.49Å; L240-T270 HydrophobicContact CG-CG2 4.03Å
241S47.2Very low49.7Very low48 Ų4865.9 Ų65.934%0.33633%0.328SS..  trans-52.2141.8164.9167.70000109.7K243 R244 T245S241-K243 PolarHBondContact O-N 2.97Å; S241-R244 WeakPolarHBondContact O-CA 3.29Å; S241-R244 WeakPolarHBondContact O-CB 3.41Å; S241-R244 PolarHBondContact O-N 3.12Å; S241-T245 PolarHBondContact O-N 3.38Å; S241-T245 VanDerWaalsContact O-N 3.12Å; S241-T245 PolarHBondContact O-OG1 3.01Å; S241-T245 VanDerWaalsContact O-OG1 3.05Å
242P44Very low50.2Low107 Ų10760.8 Ų60.870%0.69531%0.308SS*.Hα-helixtrans-50.9-30.5-179.2-26.632.6000114R244 A246P242-R244 VanDerWaalsContact C-N 3.35Å; P242-A246 PolarHBondContact O-N 3.5Å
243K46.3Very low50.3Low175 Ų17566 Ų6676%0.76134%0.339SS*.Hα-helixtrans-70.1-27.7175.6-63.8-171.2179.4-175.80113.5S241S241-K243 PolarHBondContact O-N 2.97Å
244R50.4Low50.4Low64 Ų6474.1 Ų74.124%0.24237%0.369CS..Hα-helixtrans-90.2-34.6-178.2-64178179.6-179.7-8.1112R238 L239 S241 P242 A246 V247 L248R238-R244 PolarHBondContact O-NH1 3.26Å; L239-R244 WeakPolarHBondContact O-CB 3.18Å; L239-R244 VanDerWaalsContact O-CD 3.29Å; L239-R244 WeakPolarHBondContact O-CD 3.46Å; S241-R244 WeakPolarHBondContact O-CA 3.29Å; S241-R244 WeakPolarHBondContact O-CB 3.41Å; S241-R244 PolarHBondContact O-N 3.12Å; P242-R244 VanDerWaalsContact C-N 3.35Å; R244-A246 VanDerWaalsContact C-N 3.28Å; R244-A246 PolarHBondContact O-N 2.96Å; R244-V247 WeakPolarHBondContact O-CB 3.44Å; R244-V247 PolarHBondContact O-N 2.91Å; R244-V247 VanDerWaalsContact O-N 3.12Å; R244-L248 PolarHBondContact O-N 3.27Å; R244-L248 VanDerWaalsContact O-N 3.09Å
245T50.8Low50.5Low9 Ų983.3 Ų83.36%0.05540%0.401CS..Hα-helixtrans-62.6-35.4172-11.90000111.9S241 V247 L248 D249 I256S241-T245 PolarHBondContact O-N 3.38Å; S241-T245 VanDerWaalsContact O-N 3.12Å; S241-T245 PolarHBondContact O-OG1 3.01Å; S241-T245 VanDerWaalsContact O-OG1 3.05Å; T245-V247 VanDerWaalsContact C-N 3.29Å; T245-V247 PolarHBondContact O-N 3.08Å; T245-L248 PolarHBondContact O-N 2.72Å; T245-D249 WeakPolarHBondContact O-CB 3.37Å; T245-D249 PolarHBondContact O-N 3.33Å; T245-I256 HydrophobicContact CG2-CB 4.04Å; T245-I256 HydrophobicContact CG2-CG2 4.07Å
246A49.9Very low50.4Low54 Ų5481 Ų8145%0.44639%0.39SS..Hα-helixtrans-65.5-28173.700000113.9P242 R244 K250P242-A246 PolarHBondContact O-N 3.5Å; R244-A246 VanDerWaalsContact C-N 3.28Å; R244-A246 PolarHBondContact O-N 2.96Å; A246-K250 PolarHBondContact O-N 2.59Å
247V49.9Very low50Low72 Ų7283.5 Ų83.544%0.43641%0.407SS..Hα-helixtrans-77-41.5174.4176.80000110R244 T245 K250 V251R244-V247 WeakPolarHBondContact O-CB 3.44Å; R244-V247 PolarHBondContact O-N 2.91Å; R244-V247 VanDerWaalsContact O-N 3.12Å; T245-V247 VanDerWaalsContact C-N 3.29Å; T245-V247 PolarHBondContact O-N 3.08Å; V247-K250 PolarHBondContact O-N 3.3Å; V247-V251 WeakPolarHBondContact O-CG2 3.23Å; V247-V251 PolarHBondContact O-N 3.47Å
248L52Low49.5Very low18 Ų1885 Ų859%0.09443%0.427CS..Hα-helixtrans-63.5-41.7175.1-69.8163.3000112.3R244 T245 K250 V251 C252 I256 L281 F285R244-L248 PolarHBondContact O-N 3.27Å; R244-L248 VanDerWaalsContact O-N 3.09Å; T245-L248 PolarHBondContact O-N 2.72Å; L248-K250 VanDerWaalsContact C-N 3.29Å; L248-K250 PolarHBondContact O-N 3.32Å; L248-V251 PolarHBondContact O-N 2.68Å; L248-V251 VanDerWaalsContact O-N 3.15Å; L248-C252 WeakPolarHBondContact O-CB 3.43Å; L248-C252 PolarHBondContact O-N 2.8Å; L248-I256 HydrophobicContact CB-CD1 3.77Å; L248-I256 HydrophobicContact CD1-CD1 4.07Å; L248-I256 HydrophobicContact CG-CD1 4.4Å; L248-L281 HydrophobicContact CD2-CD1 4.37Å; L248-L281 HydrophobicContact CD2-CD2 3.21Å; L248-L281 HydrophobicContact CD2-CG 4.42Å; L248-F285 HydrophobicContact CD2-CZ 4.37Å
249D56.5Low49.1Very low52 Ų5282.3 Ų82.328%0.27843%0.431SS..Hα-helixtrans-62-35176.9-80.4-7000112.4T245 V251 R255 I256T245-D249 WeakPolarHBondContact O-CB 3.37Å; T245-D249 PolarHBondContact O-N 3.33Å; D249-V251 VanDerWaalsContact C-N 3.35Å; D249-R255 WeakPolarHBondContact OD1-CA 3.21Å; D249-I256 PolarHBondContact OD1-N 3.47Å
250K53.3Low48.6Very low186 Ų18684.1 Ų84.181%0.80946%0.455SS*.Hα-helixtrans-70.4-28.6175.8-84.9-174.6175.1-174.90113.5A246 V247 L248A246-K250 PolarHBondContact O-N 2.59Å; V247-K250 PolarHBondContact O-N 3.3Å; L248-K250 VanDerWaalsContact C-N 3.29Å; L248-K250 PolarHBondContact O-N 3.32Å
251V51.5Low48Very low62 Ų6292 Ų9238%0.37649%0.492SS..Hα-helixtrans-94.5-44-173.6169.80000111.6V247 L248 D249 C284V247-V251 WeakPolarHBondContact O-CG2 3.23Å; V247-V251 PolarHBondContact O-N 3.47Å; L248-V251 PolarHBondContact O-N 2.68Å; L248-V251 VanDerWaalsContact O-N 3.15Å; D249-V251 VanDerWaalsContact C-N 3.35Å; V251-C284 HydrophobicContact CG1-CB 3.62Å; V251-C284 WeakPolarHBondContact CG1-SG 2.97Å; V251-C284 WeakPolarHBondContact CG2-SG 3.48Å
252C54Low47.9Very low30 Ų3093.1 Ų93.120%0.20349%0.492CS..Hα-helixtrans-90.1-4-172.3-62.50000113.7L248 R254L248-C252 WeakPolarHBondContact O-CB 3.43Å; L248-C252 PolarHBondContact O-N 2.8Å; C252-R254 PolarHBondContact O-N 3.29Å
253N52.1Low48.1Very low157 Ų15791 Ų9184%0.8447%0.471SS*.SBendtrans50.422.1-179.9-118.82000114.8
254R51.5Low48.3Very low183 Ų18385.1 Ų85.169%0.69144%0.444SS*.SBendtrans-133.3128.6175.2-79.9-175.3171.4-179.3-1.1107.6C252 I256C252-R254 PolarHBondContact O-N 3.29Å; R254-I256 PolarHBondContact O-N 3.47Å; R254-I256 VanDerWaalsContact O-N 3.09Å
255R49.4Very low48.2Very low234 Ų23483.6 Ų83.688%0.88344%0.44SS*.  trans-62.9110.7174.1-90.6-168.9-175-172.33109.5D249D249-R255 WeakPolarHBondContact OD1-CA 3.21Å
256I48.7Very low48.1Very low19 Ų1987.8 Ų87.810%0.09746%0.458CS..PPolyproline II helixtrans-74.9120.6162.8-57.8177.8000105.8T245 L248 D249 R254 A258 T270T245-I256 HydrophobicContact CG2-CB 4.04Å; T245-I256 HydrophobicContact CG2-CG2 4.07Å; L248-I256 HydrophobicContact CB-CD1 3.77Å; L248-I256 HydrophobicContact CD1-CD1 4.07Å; L248-I256 HydrophobicContact CG-CD1 4.4Å; D249-I256 PolarHBondContact OD1-N 3.47Å; R254-I256 PolarHBondContact O-N 3.47Å; R254-I256 VanDerWaalsContact O-N 3.09Å; I256-A258 PolarHBondContact O-N 2.84Å; I256-A258 VanDerWaalsContact O-N 3.1Å; I256-T270 HydrophobicContact CG2-CG2 4.3Å
257P42.9Very low48.5Very low56 Ų5687.8 Ų87.836%0.36445%0.448SS..PPolyproline II helixtrans-56.1124.3-177.519.2-29000109.8F266P257-F266 HydrophobicContact CB-CD1 4.02Å; P257-F266 HydrophobicContact CB-CE1 3.98Å; P257-F266 HydrophobicContact CG-CD1 4.25Å
258A41Very low49.1Very low78 Ų7884.4 Ų84.465%0.64543%0.427SS*.PPolyproline II helixtrans-55.2143.1-179.200000110.3I256 G260I256-A258 PolarHBondContact O-N 2.84Å; I256-A258 VanDerWaalsContact O-N 3.1Å; A258-G260 PolarHBondContact O-N 2.9Å
259S40.4Very low49.6Very low91 Ų9188.5 Ų88.564%0.63645%0.446SS*.  trans-63.475.9174.1160.90000110.6
260G38.3Very low49.8Very low59 Ų5986.6 Ų86.661%0.60844%0.436SS*.  trans-67.7149.7156.100000109.2A258 M262A258-G260 PolarHBondContact O-N 2.9Å; G260-M262 PolarHBondContact O-N 2.92Å
261Q38.1Very low50.5Low178 Ų17877.8 Ų77.883%0.83240%0.398SS*.SBendtrans-52.6122.8175.3-92175.1-14.600111.5
262M45.2Very low51.5Low71 Ų7175.9 Ų75.935%0.3539%0.385SS..  trans81.669.2140.5-60.7-151-101.200121.3H225 G260H225-M262 VanDerWaalsContact CE1-CB 3.46Å; H225-M262 WeakPolarHBondContact CE1-CB 3.5Å; H225-M262 WeakPolarHBondContact CE1-CG 3.43Å; H225-M262 PolarHBondContact CE1-SD 3.3Å; H225-M262 PolarHBondContact ND1-SD 3.37Å; H225-M262 VanDerWaalsContact NE2-CB 3.27Å; H225-M262 WeakPolarHBondContact NE2-CB 3.14Å; H225-M262 PolarHBondContact NE2-SD 2.99Å; G260-M262 PolarHBondContact O-N 2.92Å
263R47.8Very low52.1Low64 Ų6476.4 Ų76.424%0.24239%0.388CS..  trans-151.6150.5160.2-70.1-167.9-178.2165.9-3114.8F266 K267R263-F266 HydrophobicContact CB-CD2 3.64Å; R263-F266 HydrophobicContact CB-CE2 4.34Å; R263-F266 HydrophobicContact CG-CD2 4.35Å; R263-K267 WeakPolarHBondContact O-CG 3.08Å
264W50.4Low53Low51 Ų5169.4 Ų69.419%0.19335%0.352CS..Hα-helixtrans-65.7-46.4178-85.99.7000113.1A224 F266 K267 S268 V324 Q382A224-W264 HydrophobicContact CB-CD2 4.02Å; A224-W264 HydrophobicContact CB-CG 4.45Å; A224-W264 HydrophobicContact CB-CH2 4.23Å; A224-W264 HydrophobicContact CB-CZ2 3.4Å; W264-F266 PolarHBondContact O-N 2.9Å; W264-K267 CarbonylContact O-C 3.5Å; W264-K267 WeakPolarHBondContact O-CA 3.49Å; W264-K267 WeakPolarHBondContact O-CB 2.88Å; W264-K267 PolarHBondContact O-N 2.9Å; W264-S268 PolarHBondContact O-N 3.25Å; W264-V324 HydrophobicContact CD2-CG1 4.47Å; W264-V324 HydrophobicContact CE3-CG1 3.54Å; W264-V324 HydrophobicContact CZ3-CG1 3.75Å; W264-Q382 HydrophobicContact CH2-CB 4.38Å; W264-Q382 HydrophobicContact CZ2-CB 4.48Å
265N48Very low54.1Low31 Ų3164 Ų6417%0.16633%0.333CS..Hα-helixtrans-60.8-33.6-178.8-61.37.8000112.8K267 S268 H269 Y328N265-K267 VanDerWaalsContact C-N 3.31Å; N265-K267 PolarHBondContact O-N 2.99Å; N265-S268 VanDerWaalsContact CA-OG 3.31Å; N265-S268 WeakPolarHBondContact CA-OG 3.13Å; N265-S268 PolarHBondContact O-OG 2.79Å; N265-H269 WeakPolarHBondContact O-CB 3.3Å; N265-H269 PolarHBondContact O-CD2 3.02Å; N265-H269 VanDerWaalsContact O-CG 3.27Å; N265-H269 PolarHBondContact O-N 3.17Å; N265-Y328 WeakPolarHBondContact ND2-CD1 3.45Å; N265-Y328 VanDerWaalsContact ND2-CE1 3.3Å; N265-Y328 WeakPolarHBondContact ND2-CE1 3.34Å; N265-Y328 VanDerWaalsContact OD1-CD1 3.32Å; N265-Y328 WeakPolarHBondContact OD1-CD1 3.3Å
266F50.2Low55.4Low98 Ų9858.7 Ų58.743%0.4332%0.318SS..Hα-helixtrans-69.2-34.8176.2-76-93.3000111.2P257 R263 W264 T270P257-F266 HydrophobicContact CB-CD1 4.02Å; P257-F266 HydrophobicContact CB-CE1 3.98Å; P257-F266 HydrophobicContact CG-CD1 4.25Å; R263-F266 HydrophobicContact CB-CD2 3.64Å; R263-F266 HydrophobicContact CB-CE2 4.34Å; R263-F266 HydrophobicContact CG-CD2 4.35Å; W264-F266 PolarHBondContact O-N 2.9Å; F266-T270 PolarHBondContact O-N 3.48Å; F266-T270 PolarHBondContact O-OG1 3.2Å
267K57.3Low56.4Low54 Ų5460.1 Ų60.124%0.23533%0.325CS..Hα-helixtrans-73.2-38.5176.5-65.9-173180178.10111.9F233 F237 R263 W264 N265 V271F233-K267 HydrophobicContact CE1-CD 3.9Å; F233-K267 HydrophobicContact CZ-CD 3.88Å; F237-K267 HydrophobicContact CE1-CB 4.14Å; F237-K267 HydrophobicContact CE1-CD 4.12Å; F237-K267 HydrophobicContact CE1-CG 3.62Å; F237-K267 HydrophobicContact CE2-CD 4.13Å; F237-K267 HydrophobicContact CE2-CG 4.38Å; F237-K267 HydrophobicContact CZ-CB 3.63Å; F237-K267 HydrophobicContact CZ-CD 3.62Å; F237-K267 HydrophobicContact CZ-CG 3.41Å; F237-K267 VanDerWaalsContact CZ-CG 3.41Å; R263-K267 WeakPolarHBondContact O-CG 3.08Å; W264-K267 CarbonylContact O-C 3.5Å; W264-K267 WeakPolarHBondContact O-CA 3.49Å; W264-K267 WeakPolarHBondContact O-CB 2.88Å; W264-K267 PolarHBondContact O-N 2.9Å; N265-K267 VanDerWaalsContact C-N 3.31Å; N265-K267 PolarHBondContact O-N 2.99Å; K267-V271 WeakPolarHBondContact O-CG2 3.48Å; K267-V271 PolarHBondContact O-N 3.26Å; K267-V271 VanDerWaalsContact O-N 3.13Å
268S62.1Low57.8Low0 Ų059.5 Ų59.50%032%0.317CS..Hα-helixtrans-66.4-50174.961.50000111.3W264 N265 T270 V271 H272 D325W264-S268 PolarHBondContact O-N 3.25Å; N265-S268 VanDerWaalsContact CA-OG 3.31Å; N265-S268 WeakPolarHBondContact CA-OG 3.13Å; N265-S268 PolarHBondContact O-OG 2.79Å; S268-T270 VanDerWaalsContact C-N 3.25Å; S268-T270 PolarHBondContact O-N 3.12Å; S268-V271 PolarHBondContact O-N 3.26Å; S268-H272 VanDerWaalsContact C-CD2 3.43Å; S268-H272 PolarHBondContact O-CD2 3.35Å; S268-H272 PolarHBondContact O-N 3.29Å; S268-D325 WeakPolarHBondContact CB-OD1 3.13Å; S268-D325 WeakPolarHBondContact CB-OD2 3.47Å; S268-D325 VanDerWaalsContact OG-CG 3.24Å; S268-D325 PolarHBondContact OG-OD1 3.1Å; S268-D325 PolarHBondContact OG-OD2 3.14Å
269H62.6Low59.2Low104 Ų10463.6 Ų63.648%0.48132%0.323SS..Hα-helixtrans-55.2-40.4177.6-76.9-50.9000112.7N265 S273N265-H269 WeakPolarHBondContact O-CB 3.3Å; N265-H269 PolarHBondContact O-CD2 3.02Å; N265-H269 VanDerWaalsContact O-CG 3.27Å; N265-H269 PolarHBondContact O-N 3.17Å; H269-S273 WeakPolarHBondContact O-CB 3.49Å; H269-S273 PolarHBondContact O-N 3.34Å; H269-S273 PolarHBondContact O-OG 2.92Å
270T60.4Low60.5Low12 Ų1263.8 Ų63.87%0.07432%0.316CS..Hα-helixtrans-69.6-41.3177.3-49.40000112.5L240 I256 F266 S268 H272 S273 V274L240-T270 HydrophobicContact CD1-CG2 3.33Å; L240-T270 HydrophobicContact CD2-CG2 3.49Å; L240-T270 VanDerWaalsContact CD2-CG2 3.49Å; L240-T270 HydrophobicContact CG-CG2 4.03Å; I256-T270 HydrophobicContact CG2-CG2 4.3Å; F266-T270 PolarHBondContact O-N 3.48Å; F266-T270 PolarHBondContact O-OG1 3.2Å; S268-T270 VanDerWaalsContact C-N 3.25Å; S268-T270 PolarHBondContact O-N 3.12Å; T270-H272 VanDerWaalsContact C-N 3.34Å; T270-S273 PolarHBondContact O-N 3.12Å; T270-V274 HydrophobicContact CG2-CG2 4.34Å; T270-V274 WeakPolarHBondContact O-CG2 3.37Å; T270-V274 PolarHBondContact O-N 2.96Å
271V68.9Low61.9Low1 Ų161.3 Ų61.31%0.00629%0.289CS..Hα-helixtrans-62.8-42.2175.4168.30000111.2I236 K267 S268 F275 L314 F317 H318 F321I236-V271 HydrophobicContact CG2-CG2 4.4Å; K267-V271 WeakPolarHBondContact O-CG2 3.48Å; K267-V271 PolarHBondContact O-N 3.26Å; K267-V271 VanDerWaalsContact O-N 3.13Å; S268-V271 PolarHBondContact O-N 3.26Å; V271-F275 WeakPolarHBondContact O-CB 3.45Å; V271-F275 PolarHBondContact O-N 3.41Å; V271-F275 VanDerWaalsContact O-N 3.07Å; V271-L314 HydrophobicContact CG1-CD1 4.1Å; V271-F317 HydrophobicContact CG1-CB 4.01Å; V271-H318 HydrophobicContact CG1-CB 4.2Å; V271-F321 HydrophobicContact CB-CD2 4.11Å; V271-F321 HydrophobicContact CB-CE2 4.46Å; V271-F321 HydrophobicContact CG1-CD2 4.15Å; V271-F321 HydrophobicContact CG2-CD2 4.18Å; V271-F321 HydrophobicContact CG2-CE2 4.02Å
272H72.2Confident63.4Low23 Ų2354.5 Ų54.511%0.10626%0.259CS..Hα-helixtrans-60.2-47.4174.1-67.2-55.5000111.5S268 T270 V274 F275 E276 H318 T322 D325S268-H272 VanDerWaalsContact C-CD2 3.43Å; S268-H272 PolarHBondContact O-CD2 3.35Å; S268-H272 PolarHBondContact O-N 3.29Å; T270-H272 VanDerWaalsContact C-N 3.34Å; H272-V274 PolarHBondContact O-N 2.95Å; H272-F275 PolarHBondContact O-N 3.06Å; H272-E276 WeakPolarHBondContact O-CB 3.44Å; H272-E276 WeakPolarHBondContact O-CG 3Å; H272-E276 PolarHBondContact O-N 3.18Å; H272-H318 AromaticContact CE1-ND1 3.9Å; H272-H318 PolarHBondContact CE1-O 3.23Å; H272-H318 AromaticContact CG-ND1 3.88Å; H272-H318 AromaticContact ND1-CE1 3.16Å; H272-H318 PolarHBondContact ND1-CE1 3.03Å; H272-H318 AromaticContact ND1-CG 3.56Å; H272-H318 AromaticContact ND1-ND1 2.96Å; H272-H318 PolarHBondContact ND1-ND1 2.8Å; H272-H318 AromaticContact ND1-NE2 3.82Å; H272-T322 PolarHBondContact CE1-OG1 2.95Å; H272-T322 VanDerWaalsContact CE1-OG1 3.28Å; H272-D325 IonicContact CD2-OD2 3.53Å; H272-D325 IonicContact NE2-OD2 2.96Å
273S67.6Low64.4Low40 Ų4053.8 Ų53.828%0.2826%0.264SS..Hα-helixtrans-62.8-41.9-179.1-57.90000112.8H269 T270 Q277H269-S273 WeakPolarHBondContact O-CB 3.49Å; H269-S273 PolarHBondContact O-N 3.34Å; H269-S273 PolarHBondContact O-OG 2.92Å; T270-S273 PolarHBondContact O-N 3.12Å; S273-Q277 VanDerWaalsContact O-CB 3.25Å; S273-Q277 WeakPolarHBondContact O-CB 3.4Å; S273-Q277 VanDerWaalsContact O-CG 3.28Å; S273-Q277 WeakPolarHBondContact O-CG 3.4Å; S273-Q277 PolarHBondContact O-N 3.46Å; S273-Q277 VanDerWaalsContact O-N 3.11Å
274V69.7Low65.2Low11 Ų1151.8 Ų51.87%0.06726%0.26CS..Hα-helixtrans-69.9-37.1179.2175.70000111.3T270 H272 E278 L281 L305 L314T270-V274 HydrophobicContact CG2-CG2 4.34Å; T270-V274 WeakPolarHBondContact O-CG2 3.37Å; T270-V274 PolarHBondContact O-N 2.96Å; H272-V274 PolarHBondContact O-N 2.95Å; V274-E278 PolarHBondContact O-N 3.4Å; V274-L281 HydrophobicContact CG1-CD1 4.37Å; V274-L305 HydrophobicContact CG1-CD2 4.44Å; V274-L314 HydrophobicContact CG1-CD1 4.33Å; V274-L314 HydrophobicContact CG1-CD2 3.98Å
275F74.7Confident65.9Low68 Ų6850 Ų5030%0.29825%0.253SS..Hα-helixtrans-69.4-46.2176.7-176.2-100.4000112.2V271 H272 Q277 E278 L314 S315 H318V271-F275 WeakPolarHBondContact O-CB 3.45Å; V271-F275 PolarHBondContact O-N 3.41Å; V271-F275 VanDerWaalsContact O-N 3.07Å; H272-F275 PolarHBondContact O-N 3.06Å; F275-Q277 VanDerWaalsContact C-N 3.29Å; F275-Q277 PolarHBondContact O-N 2.83Å; F275-E278 WeakPolarHBondContact O-CB 3.42Å; F275-E278 PolarHBondContact O-N 3.41Å; F275-L314 HydrophobicContact CB-CD2 4.22Å; F275-L314 HydrophobicContact CB-CG 4.18Å; F275-L314 HydrophobicContact CD2-CD2 4.19Å; F275-L314 HydrophobicContact CD2-CG 4.11Å; F275-S315 VanDerWaalsContact CE2-CB 3.46Å; F275-H318 HydrophobicContact CB-CB 4.25Å; F275-H318 HydrophobicContact CD1-CB 4.2Å; F275-H318 AromaticContact CD1-CD2 3.91Å; F275-H318 AromaticContact CD1-CE1 3.59Å; F275-H318 AromaticContact CD1-CG 3.59Å; F275-H318 AromaticContact CD1-ND1 3.35Å; F275-H318 WeakPolarHBondContact CD1-ND1 3.42Å; F275-H318 AromaticContact CD1-NE2 3.94Å; F275-H318 HydrophobicContact CD2-CB 4.49Å; F275-H318 HydrophobicContact CG-CB 4.04Å; F275-H318 AromaticContact CG-CG 3.9Å; F275-H318 AromaticContact CG-ND1 3.74Å
276E77.8Confident66.7Low123 Ų12350.5 Ų50.558%0.57526%0.262SS*.Hα-helixtrans-68.3-27.4179.9-72174.2-171.600113.3H272H272-E276 WeakPolarHBondContact O-CB 3.44Å; H272-E276 WeakPolarHBondContact O-CG 3Å; H272-E276 PolarHBondContact O-N 3.18Å
277Q69.5Low67.2Low50 Ų5050.2 Ų50.223%0.23427%0.268CS..THydrogen-bonded Turntrans-101.712.3-179.4-60.9-65-43.400112.9S273 F275 E279 N280 L281S273-Q277 VanDerWaalsContact O-CB 3.25Å; S273-Q277 WeakPolarHBondContact O-CB 3.4Å; S273-Q277 VanDerWaalsContact O-CG 3.28Å; S273-Q277 WeakPolarHBondContact O-CG 3.4Å; S273-Q277 PolarHBondContact O-N 3.46Å; S273-Q277 VanDerWaalsContact O-N 3.11Å; F275-Q277 VanDerWaalsContact C-N 3.29Å; F275-Q277 PolarHBondContact O-N 2.83Å; Q277-E279 VanDerWaalsContact C-N 3.3Å; Q277-E279 PolarHBondContact O-N 2.84Å; Q277-N280 PolarHBondContact O-N 3.5Å; Q277-N280 VanDerWaalsContact O-N 3.15Å; Q277-N280 PolarHBondContact OE1-ND2 3.39Å; Q277-L281 HydrophobicContact CB-CD1 4.3Å; Q277-L281 HydrophobicContact CB-CG 4.24Å; Q277-L281 WeakPolarHBondContact O-CB 3.25Å; Q277-L281 VanDerWaalsContact O-CG 3.25Å; Q277-L281 WeakPolarHBondContact O-CG 3.43Å; Q277-L281 PolarHBondContact O-N 3.29Å
278E72Confident67.2Low43 Ų4349.9 Ų49.920%0.20127%0.272CS..Hα-helixtrans-52.4-46.5-175.2-174.6-170.6148.900112.4V274 F275 L281 N282 L311V274-E278 PolarHBondContact O-N 3.4Å; F275-E278 WeakPolarHBondContact O-CB 3.42Å; F275-E278 PolarHBondContact O-N 3.41Å; E278-L281 PolarHBondContact O-N 3.31Å; E278-N282 VanDerWaalsContact O-CB 3.32Å; E278-N282 WeakPolarHBondContact O-CB 3.42Å; E278-N282 PolarHBondContact O-N 3.39Å; E278-N282 PolarHBondContact O-ND2 3.31Å; E278-L311 HydrophobicContact CG-CD2 4.06Å; E278-L311 WeakPolarHBondContact OE1-CD1 3.37Å; E278-L311 WeakPolarHBondContact OE1-CD2 3.42Å
279E70.6Confident66.8Low164 Ų16452.4 Ų52.477%0.76629%0.285SS*.Hα-helixtrans-65.3-43.4-179.7-64.9-174.9168.200112.4Q277 N282 A283Q277-E279 VanDerWaalsContact C-N 3.3Å; Q277-E279 PolarHBondContact O-N 2.84Å; E279-N282 PolarHBondContact O-N 3.32Å; E279-A283 WeakPolarHBondContact O-CB 3.41Å; E279-A283 PolarHBondContact O-N 3.34Å
280N67.4Low66.5Low94 Ų9456 Ų5650%0.50330%0.3SS..Hα-helixtrans-67.3-37.8178.6-69.2-26.7000111.7Q277 C284Q277-N280 PolarHBondContact O-N 3.5Å; Q277-N280 VanDerWaalsContact O-N 3.15Å; Q277-N280 PolarHBondContact OE1-ND2 3.39Å; N280-C284 VanDerWaalsContact O-CB 3.31Å; N280-C284 WeakPolarHBondContact O-CB 3.5Å; N280-C284 PolarHBondContact O-N 3.06Å
281L68.1Low65.9Low8 Ų861.6 Ų61.64%0.04233%0.329CS..Hα-helixtrans-67.9-43.4174.9-68.7176.1000111.4L248 V274 Q277 E278 C284 F285 L305L248-L281 HydrophobicContact CD2-CD1 4.37Å; L248-L281 HydrophobicContact CD2-CD2 3.21Å; L248-L281 HydrophobicContact CD2-CG 4.42Å; V274-L281 HydrophobicContact CG1-CD1 4.37Å; Q277-L281 HydrophobicContact CB-CD1 4.3Å; Q277-L281 HydrophobicContact CB-CG 4.24Å; Q277-L281 WeakPolarHBondContact O-CB 3.25Å; Q277-L281 VanDerWaalsContact O-CG 3.25Å; Q277-L281 WeakPolarHBondContact O-CG 3.43Å; Q277-L281 PolarHBondContact O-N 3.29Å; E278-L281 PolarHBondContact O-N 3.31Å; L281-C284 PolarHBondContact O-N 3.07Å; L281-F285 HydrophobicContact CB-CD2 4.34Å; L281-F285 HydrophobicContact CB-CE2 4.07Å; L281-F285 HydrophobicContact CD2-CE2 4.38Å; L281-F285 HydrophobicContact CD2-CZ 4.46Å; L281-F285 WeakPolarHBondContact O-CB 3.34Å; L281-F285 WeakPolarHBondContact O-CD2 3.18Å; L281-F285 VanDerWaalsContact O-CG 3.28Å; L281-F285 WeakPolarHBondContact O-CG 3.36Å; L281-F285 PolarHBondContact O-N 2.96Å; L281-L305 HydrophobicContact CB-CD1 4.17Å
282N68.6Low65.1Low35 Ų3566.3 Ų66.319%0.18736%0.362CS..Hα-helixtrans-61.8-43.4175.6-83.4-26.9000111.8E278 E279 A286 L305E278-N282 VanDerWaalsContact O-CB 3.32Å; E278-N282 WeakPolarHBondContact O-CB 3.42Å; E278-N282 PolarHBondContact O-N 3.39Å; E278-N282 PolarHBondContact O-ND2 3.31Å; E279-N282 PolarHBondContact O-N 3.32Å; N282-A286 VanDerWaalsContact O-CB 3.28Å; N282-A286 WeakPolarHBondContact O-CB 3.17Å; N282-A286 PolarHBondContact O-N 3.5Å; N282-L305 WeakPolarHBondContact OD1-CB 3.27Å
283A66.6Low63.8Low56 Ų5673.8 Ų73.846%0.46340%0.4SS..Hα-helixtrans-64-43.3175.900000112.1E279 A286 T287E279-A283 WeakPolarHBondContact O-CB 3.41Å; E279-A283 PolarHBondContact O-N 3.34Å; A283-A286 PolarHBondContact O-N 3.48Å; A283-T287 PolarHBondContact O-N 3.27Å; A283-T287 PolarHBondContact O-OG1 3.02Å
284C64.3Low63.2Low22 Ų2274.5 Ų74.515%0.14941%0.405CS..Hα-helixtrans-68.9-39.5179.3-173.30000113.1V251 N280 L281 A286 T287 S288V251-C284 HydrophobicContact CG1-CB 3.62Å; V251-C284 WeakPolarHBondContact CG1-SG 2.97Å; V251-C284 WeakPolarHBondContact CG2-SG 3.48Å; N280-C284 VanDerWaalsContact O-CB 3.31Å; N280-C284 WeakPolarHBondContact O-CB 3.5Å; N280-C284 PolarHBondContact O-N 3.06Å; L281-C284 PolarHBondContact O-N 3.07Å; C284-A286 VanDerWaalsContact C-N 3.35Å; C284-T287 PolarHBondContact O-N 3.47Å; C284-T287 PolarHBondContact O-OG1 3.36Å; C284-S288 VanDerWaalsContact O-CB 3.26Å; C284-S288 WeakPolarHBondContact O-CB 3.44Å; C284-S288 PolarHBondContact O-N 3.39Å; C284-S288 PolarHBondContact O-OG 2.88Å
285F66.3Low62.6Low13 Ų1377.8 Ų77.86%0.05742%0.421CS..Hα-helixtrans-71.7-32.4177.3-66.4-39.6000111.5L248 L281 T287 I289 T298 L301 Y302 L305L248-F285 HydrophobicContact CD2-CZ 4.37Å; L281-F285 HydrophobicContact CB-CD2 4.34Å; L281-F285 HydrophobicContact CB-CE2 4.07Å; L281-F285 HydrophobicContact CD2-CE2 4.38Å; L281-F285 HydrophobicContact CD2-CZ 4.46Å; L281-F285 WeakPolarHBondContact O-CB 3.34Å; L281-F285 WeakPolarHBondContact O-CD2 3.18Å; L281-F285 VanDerWaalsContact O-CG 3.28Å; L281-F285 WeakPolarHBondContact O-CG 3.36Å; L281-F285 PolarHBondContact O-N 2.96Å; F285-T287 VanDerWaalsContact C-N 3.34Å; F285-T287 PolarHBondContact O-N 3.34Å; F285-I289 VanDerWaalsContact O-CD1 3.22Å; F285-I289 WeakPolarHBondContact O-CD1 3.17Å; F285-I289 WeakPolarHBondContact O-CG1 3.13Å; F285-I289 PolarHBondContact O-N 3.48Å; F285-T298 HydrophobicContact CB-CG2 4.33Å; F285-T298 HydrophobicContact CD1-CG2 3.55Å; F285-T298 HydrophobicContact CE1-CG2 4.25Å; F285-T298 HydrophobicContact CG-CG2 4.25Å; F285-L301 HydrophobicContact CE1-CD1 4.3Å; F285-L301 HydrophobicContact CE2-CB 4.28Å; F285-L301 HydrophobicContact CZ-CB 4.37Å; F285-L301 HydrophobicContact CZ-CD1 4.06Å; F285-Y302 HydrophobicContact CB-CD2 3.75Å; F285-Y302 HydrophobicContact CB-CG 4.36Å; F285-L305 HydrophobicContact CD2-CD1 3.68Å; F285-L305 HydrophobicContact CE2-CD1 3.54Å
286A64.1Low61.8Low42 Ų4283.2 Ų83.235%0.34745%0.447SS..Hα-helixtrans-63.4-36.4172.600000113N282 A283 C284 Y302N282-A286 VanDerWaalsContact O-CB 3.28Å; N282-A286 WeakPolarHBondContact O-CB 3.17Å; N282-A286 PolarHBondContact O-N 3.5Å; A283-A286 PolarHBondContact O-N 3.48Å; C284-A286 VanDerWaalsContact C-N 3.35Å; A286-Y302 HydrophobicContact CB-CE2 4.11Å
287T61.4Low60.8Low91 Ų9182.5 Ų82.556%0.55844%0.444SS*.Hα-helixtrans-80.1-38.8177.349.90000112.8A283 C284 F285 I289 K290A283-T287 PolarHBondContact O-N 3.27Å; A283-T287 PolarHBondContact O-OG1 3.02Å; C284-T287 PolarHBondContact O-N 3.47Å; C284-T287 PolarHBondContact O-OG1 3.36Å; F285-T287 VanDerWaalsContact C-N 3.34Å; F285-T287 PolarHBondContact O-N 3.34Å; T287-I289 VanDerWaalsContact C-N 3.28Å; T287-I289 PolarHBondContact O-N 3.27Å; T287-K290 PolarHBondContact O-N 3.12Å
288S55.8Low60.2Low47 Ų4780.6 Ų80.633%0.32944%0.435SS..Hα-helixtrans-72.2-13.8-177.4-60.30000114.7C284 K290C284-S288 VanDerWaalsContact O-CB 3.26Å; C284-S288 WeakPolarHBondContact O-CB 3.44Å; C284-S288 PolarHBondContact O-N 3.39Å; C284-S288 PolarHBondContact O-OG 2.88Å; S288-K290 PolarHBondContact O-N 3.03Å
289I55.2Low59.9Low53 Ų5383.1 Ų83.127%0.27245%0.447SS..THydrogen-bonded Turntrans-63.4-17.2173.7-74.4159.6000111.9F285 T287 Y302F285-I289 VanDerWaalsContact O-CD1 3.22Å; F285-I289 WeakPolarHBondContact O-CD1 3.17Å; F285-I289 WeakPolarHBondContact O-CG1 3.13Å; F285-I289 PolarHBondContact O-N 3.48Å; T287-I289 VanDerWaalsContact C-N 3.28Å; T287-I289 PolarHBondContact O-N 3.27Å; I289-Y302 HydrophobicContact CD1-CD1 4.07Å; I289-Y302 HydrophobicContact CD1-CE1 4.42Å; I289-Y302 HydrophobicContact CD1-CG 4.16Å
290K55.3Low59.6Low179 Ų17977 Ų7778%0.77843%0.429SS*.THydrogen-bonded Turntrans-84.1-20.9-177.1-66.1-177178.1-179.80115.1T287 S288T287-K290 PolarHBondContact O-N 3.12Å; S288-K290 PolarHBondContact O-N 3.03Å
291D48.8Very low59.4Low131 Ų13173.6 Ų73.670%0.70141%0.41SS*.SBendtrans-113.9135.1-175.7-70.6-31.7000112.9
292S50.2Low59.3Low100 Ų10075.6 Ų75.670%0.69942%0.418SS*.SBendtrans-73.3156.3-16263.60000117.1
293M46.2Very low59.3Low180 Ų18077.1 Ų77.189%0.88743%0.428SS*.SBendtrans104.9-13.6167.9-63-64.4-70.900118.9
294S54.3Low59.3Low55 Ų5576 Ų7639%0.38541%0.414SS..SBendtrans-123.610.6170.376.10000114.8Q296 Q297 T298S294-Q296 VanDerWaalsContact C-N 3.34Å; S294-Q296 PolarHBondContact O-N 3.14Å; S294-Q296 VanDerWaalsContact O-N 3.15Å; S294-Q297 PolarHBondContact O-N 3.39Å; S294-T298 PolarHBondContact O-N 3.37Å; S294-T298 PolarHBondContact O-OG1 3.26Å; S294-T298 PolarHBondContact OG-OG1 2.91Å
295I58.4Low59.5Low80 Ų8075.3 Ų75.341%0.4141%0.409SS..Hα-helixtrans-49.8-47.8-166.5-62.9170.7000112.8Q297 T298 H299I295-Q297 VanDerWaalsContact C-N 3.32Å; I295-Q297 PolarHBondContact O-N 3.48Å; I295-T298 PolarHBondContact O-N 3.11Å; I295-H299 WeakPolarHBondContact O-CB 3.4Å; I295-H299 PolarHBondContact O-N 3.34Å
296Q57.9Low59.8Low182 Ų18279.8 Ų79.885%0.8543%0.43SS*.Hα-helixtrans-69.4-30.2-176.1-156174.6700112.9S294 G300S294-Q296 VanDerWaalsContact C-N 3.34Å; S294-Q296 PolarHBondContact O-N 3.14Å; S294-Q296 VanDerWaalsContact O-N 3.15Å; Q296-G300 PolarHBondContact O-N 2.95Å
297Q56.3Low60.1Low107 Ų10780.4 Ų80.450%0.543%0.427SS..Hα-helixtrans-77.1-49.4176.4-61.2-173.15.800110.2S294 I295 H299 G300 L301S294-Q297 PolarHBondContact O-N 3.39Å; I295-Q297 VanDerWaalsContact C-N 3.32Å; I295-Q297 PolarHBondContact O-N 3.48Å; Q297-H299 VanDerWaalsContact C-N 3.31Å; Q297-H299 PolarHBondContact O-N 3.21Å; Q297-G300 WeakPolarHBondContact O-CA 3.4Å; Q297-G300 PolarHBondContact O-N 2.97Å; Q297-G300 VanDerWaalsContact O-N 3.08Å; Q297-L301 WeakPolarHBondContact O-CG 3.31Å; Q297-L301 PolarHBondContact O-N 3.33Å
298T56.9Low60.3Low10 Ų1084.7 Ų84.76%0.06144%0.438CS..Hα-helixtrans-61.3-39.1178.8-53.10000111.7F285 S294 I295 L301 Y302F285-T298 HydrophobicContact CB-CG2 4.33Å; F285-T298 HydrophobicContact CD1-CG2 3.55Å; F285-T298 HydrophobicContact CE1-CG2 4.25Å; F285-T298 HydrophobicContact CG-CG2 4.25Å; S294-T298 PolarHBondContact O-N 3.37Å; S294-T298 PolarHBondContact O-OG1 3.26Å; S294-T298 PolarHBondContact OG-OG1 2.91Å; I295-T298 PolarHBondContact O-N 3.11Å; T298-L301 PolarHBondContact O-N 3.04Å; T298-Y302 WeakPolarHBondContact O-CB 3.41Å; T298-Y302 PolarHBondContact O-N 3.43Å
299H64.6Low60.6Low96 Ų9683.5 Ų83.544%0.44443%0.429SS..Hα-helixtrans-66.2-37.8172.9-170.476000112.5I295 Q297 Y302 T303I295-H299 WeakPolarHBondContact O-CB 3.4Å; I295-H299 PolarHBondContact O-N 3.34Å; Q297-H299 VanDerWaalsContact C-N 3.31Å; Q297-H299 PolarHBondContact O-N 3.21Å; H299-Y302 PolarHBondContact O-N 3.15Å; H299-T303 WeakPolarHBondContact O-CB 3.47Å; H299-T303 WeakPolarHBondContact O-CG2 3.46Å; H299-T303 PolarHBondContact O-N 2.72Å; H299-T303 PolarHBondContact O-OG1 3.16Å
300G64.4Low61.2Low37 Ų3781.2 Ų81.238%0.38142%0.417SS..Hα-helixtrans-64.9-34.5172.800000113.8Q296 Q297 T303 L304Q296-G300 PolarHBondContact O-N 2.95Å; Q297-G300 WeakPolarHBondContact O-CA 3.4Å; Q297-G300 PolarHBondContact O-N 2.97Å; Q297-G300 VanDerWaalsContact O-N 3.08Å; G300-T303 WeakPolarHBondContact CA-OG1 3.48Å; G300-T303 PolarHBondContact O-OG1 3.08Å; G300-T303 VanDerWaalsContact O-OG1 3.1Å; G300-L304 WeakPolarHBondContact O-CB 2.96Å; G300-L304 PolarHBondContact O-N 2.99Å
301L63.2Low61.8Low21 Ų2174.5 Ų74.511%0.1139%0.39CS..Hα-helixtrans-73.1-42.4174.4-56.1174.8000111L239 F285 Q297 T298 L304 L305L239-L301 HydrophobicContact CB-CD2 4.37Å; L239-L301 HydrophobicContact CD2-CD2 3.05Å; L239-L301 HydrophobicContact CD2-CG 4.3Å; L239-L301 HydrophobicContact CG-CD2 4.29Å; F285-L301 HydrophobicContact CE1-CD1 4.3Å; F285-L301 HydrophobicContact CE2-CB 4.28Å; F285-L301 HydrophobicContact CZ-CB 4.37Å; F285-L301 HydrophobicContact CZ-CD1 4.06Å; Q297-L301 WeakPolarHBondContact O-CG 3.31Å; Q297-L301 PolarHBondContact O-N 3.33Å; T298-L301 PolarHBondContact O-N 3.04Å; L301-L304 PolarHBondContact O-N 3.16Å; L301-L305 PolarHBondContact O-N 2.7Å
302Y67.3Low62.8Low51 Ų5170.9 Ų70.920%0.237%0.368CS..Hα-helixtrans-62.1-46.9177.2-177.4-106.7000112.1F285 A286 I289 T298 H299 L304 L305 Q306F285-Y302 HydrophobicContact CB-CD2 3.75Å; F285-Y302 HydrophobicContact CB-CG 4.36Å; A286-Y302 HydrophobicContact CB-CE2 4.11Å; I289-Y302 HydrophobicContact CD1-CD1 4.07Å; I289-Y302 HydrophobicContact CD1-CE1 4.42Å; I289-Y302 HydrophobicContact CD1-CG 4.16Å; T298-Y302 WeakPolarHBondContact O-CB 3.41Å; T298-Y302 PolarHBondContact O-N 3.43Å; H299-Y302 PolarHBondContact O-N 3.15Å; Y302-L304 VanDerWaalsContact C-N 3.27Å; Y302-L304 PolarHBondContact O-N 3.12Å; Y302-L305 PolarHBondContact O-N 2.91Å; Y302-Q306 HydrophobicContact CE1-CG 4.43Å; Y302-Q306 WeakPolarHBondContact O-CG 3.43Å; Y302-Q306 PolarHBondContact O-N 2.86Å; Y302-Q306 PolarHBondContact OH-NE2 3.04Å
303T67.8Low63.5Low67 Ų6767.3 Ų67.341%0.41134%0.341SS..Hα-helixtrans-63-33.5176.446.10000112.4H299 G300 Q306 D307H299-T303 WeakPolarHBondContact O-CB 3.47Å; H299-T303 WeakPolarHBondContact O-CG2 3.46Å; H299-T303 PolarHBondContact O-N 2.72Å; H299-T303 PolarHBondContact O-OG1 3.16Å; G300-T303 WeakPolarHBondContact CA-OG1 3.48Å; G300-T303 PolarHBondContact O-OG1 3.08Å; G300-T303 VanDerWaalsContact O-OG1 3.1Å; T303-Q306 PolarHBondContact O-N 3.18Å; T303-D307 PolarHBondContact O-N 2.87Å
304L66.1Low64.5Low32 Ų3258.8 Ų58.817%0.16830%0.299CS..Hα-helixtrans-70.6-41.4174.1-166.776.4000112.2L239 G300 L301 Y302 Q306 D307 F310L239-L304 HydrophobicContact CD1-CD2 4.03Å; L239-L304 HydrophobicContact CD2-CD2 3.63Å; L239-L304 HydrophobicContact CG-CD2 4.13Å; G300-L304 WeakPolarHBondContact O-CB 2.96Å; G300-L304 PolarHBondContact O-N 2.99Å; L301-L304 PolarHBondContact O-N 3.16Å; Y302-L304 VanDerWaalsContact C-N 3.27Å; Y302-L304 PolarHBondContact O-N 3.12Å; L304-Q306 PolarHBondContact O-N 2.9Å; L304-D307 WeakPolarHBondContact O-CB 3.41Å; L304-D307 PolarHBondContact O-N 3.28Å; L304-D307 VanDerWaalsContact O-N 3.15Å; L304-F310 HydrophobicContact CD1-CB 4.39Å; L304-F310 HydrophobicContact CD1-CD2 3.85Å; L304-F310 HydrophobicContact CD1-CE2 4.38Å; L304-F310 HydrophobicContact CD1-CG 4.16Å; L304-F310 HydrophobicContact CD2-CD2 3.76Å; L304-F310 HydrophobicContact CD2-CE1 4.35Å; L304-F310 HydrophobicContact CD2-CE2 3.44Å; L304-F310 VanDerWaalsContact CD2-CE2 3.44Å; L304-F310 HydrophobicContact CD2-CG 4.32Å; L304-F310 HydrophobicContact CD2-CZ 3.79Å; L304-F310 HydrophobicContact CG-CB 4.37Å; L304-F310 HydrophobicContact CG-CD1 4.11Å; L304-F310 HydrophobicContact CG-CD2 3.61Å; L304-F310 HydrophobicContact CG-CE1 4.33Å; L304-F310 HydrophobicContact CG-CE2 3.82Å; L304-F310 HydrophobicContact CG-CG 3.76Å; L304-F310 HydrophobicContact CG-CZ 4.2Å; L304-F310 WeakPolarHBondContact O-CB 3.45Å; L304-F310 WeakPolarHBondContact O-CD1 3.28Å; L304-F310 WeakPolarHBondContact O-CG 3.39Å
305L69.9Low65.3Low7 Ų758 Ų584%0.03729%0.294CS..Hα-helixtrans-69.9-15.9175.8-74.2168.1000113.2V274 L281 N282 F285 L301 Y302 F310 L311V274-L305 HydrophobicContact CG1-CD2 4.44Å; L281-L305 HydrophobicContact CB-CD1 4.17Å; N282-L305 WeakPolarHBondContact OD1-CB 3.27Å; F285-L305 HydrophobicContact CD2-CD1 3.68Å; F285-L305 HydrophobicContact CE2-CD1 3.54Å; L301-L305 PolarHBondContact O-N 2.7Å; Y302-L305 PolarHBondContact O-N 2.91Å; L305-F310 HydrophobicContact CD2-CE1 3.97Å; L305-L311 WeakPolarHBondContact O-CD1 3.47Å; L305-L311 WeakPolarHBondContact O-CD2 3.48Å; L305-L311 WeakPolarHBondContact O-CG 3.46Å
306Q71.9Confident65.9Low108 Ų10855.6 Ų55.651%0.50528%0.28SS..THydrogen-bonded Turntrans-92.7-10.8170.6-68.9-159.1-21.500114Y302 T303 L304 K308Y302-Q306 HydrophobicContact CE1-CG 4.43Å; Y302-Q306 WeakPolarHBondContact O-CG 3.43Å; Y302-Q306 PolarHBondContact O-N 2.86Å; Y302-Q306 PolarHBondContact OH-NE2 3.04Å; T303-Q306 PolarHBondContact O-N 3.18Å; L304-Q306 PolarHBondContact O-N 2.9Å; Q306-K308 PolarHBondContact O-N 3.19Å; Q306-K308 VanDerWaalsContact O-N 3.14Å
307D70.7Confident66.4Low54 Ų5447.4 Ų47.429%0.28924%0.242SC..  trans-70.1112.3176177.213.7000109.7T303 L304 T309 F310 L311T303-D307 PolarHBondContact O-N 2.87Å; L304-D307 WeakPolarHBondContact O-CB 3.41Å; L304-D307 PolarHBondContact O-N 3.28Å; L304-D307 VanDerWaalsContact O-N 3.15Å; D307-T309 PolarHBondContact O-N 3.45Å; D307-T309 VanDerWaalsContact O-N 3.1Å; D307-T309 VanDerWaalsContact OD1-CB 3.23Å; D307-T309 WeakPolarHBondContact OD1-CB 3.29Å; D307-T309 PolarHBondContact OD1-N 3.15Å; D307-T309 PolarHBondContact OD1-OG1 3.42Å; D307-T309 VanDerWaalsContact OD1-OG1 3.09Å; D307-F310 HydrophobicContact CB-CB 3.88Å; D307-F310 WeakPolarHBondContact O-CA 3.4Å; D307-F310 WeakPolarHBondContact O-CB 3.22Å; D307-F310 PolarHBondContact O-N 2.93Å; D307-L311 PolarHBondContact O-N 3.02Å
308K66.1Low67.3Low181 Ų18144 Ų4479%0.78723%0.226SC*.Hα-helixtrans-54.4-31176.1-63.7-175.5179.1-178.30112.3Q306 F312Q306-K308 PolarHBondContact O-N 3.19Å; Q306-K308 VanDerWaalsContact O-N 3.14Å; K308-F312 VanDerWaalsContact O-CB 3.23Å; K308-F312 WeakPolarHBondContact O-CB 3.34Å; K308-F312 PolarHBondContact O-N 3.45Å
309T61.1Low67.9Low23 Ų2350.2 Ų50.214%0.14125%0.248CC..Hα-helixtrans-69.3-42.4176.1-46.50000111.2D307 I313 L365D307-T309 PolarHBondContact O-N 3.45Å; D307-T309 VanDerWaalsContact O-N 3.1Å; D307-T309 VanDerWaalsContact OD1-CB 3.23Å; D307-T309 WeakPolarHBondContact OD1-CB 3.29Å; D307-T309 PolarHBondContact OD1-N 3.15Å; D307-T309 PolarHBondContact OD1-OG1 3.42Å; D307-T309 VanDerWaalsContact OD1-OG1 3.09Å; T309-I313 HydrophobicContact CG2-CD1 4.1Å; T309-I313 WeakPolarHBondContact O-CD1 3.48Å; T309-I313 VanDerWaalsContact O-CG1 3.24Å; T309-I313 WeakPolarHBondContact O-CG1 3.42Å; T309-I313 PolarHBondContact O-N 3.48Å; T309-L365 HydrophobicContact CG2-CD1 3.82Å; T309-L365 HydrophobicContact CG2-CD2 4.42Å
310F67.6Low68Low5 Ų545.6 Ų45.62%0.02223%0.227CC..Hα-helixtrans-67.3-48.2178.5177.6-95000111.6I236 L239 L304 L305 D307 F312 I313 L314I236-F310 HydrophobicContact CD1-CE2 4.32Å; I236-F310 HydrophobicContact CG1-CD2 4.47Å; I236-F310 HydrophobicContact CG1-CE2 3.45Å; I236-F310 VanDerWaalsContact CG1-CE2 3.45Å; I236-F310 HydrophobicContact CG1-CZ 3.9Å; L239-F310 HydrophobicContact CD1-CE2 4.42Å; L239-F310 HydrophobicContact CD1-CZ 3.77Å; L304-F310 HydrophobicContact CD1-CB 4.39Å; L304-F310 HydrophobicContact CD1-CD2 3.85Å; L304-F310 HydrophobicContact CD1-CE2 4.38Å; L304-F310 HydrophobicContact CD1-CG 4.16Å; L304-F310 HydrophobicContact CD2-CD2 3.76Å; L304-F310 HydrophobicContact CD2-CE1 4.35Å; L304-F310 HydrophobicContact CD2-CE2 3.44Å; L304-F310 VanDerWaalsContact CD2-CE2 3.44Å; L304-F310 HydrophobicContact CD2-CG 4.32Å; L304-F310 HydrophobicContact CD2-CZ 3.79Å; L304-F310 HydrophobicContact CG-CB 4.37Å; L304-F310 HydrophobicContact CG-CD1 4.11Å; L304-F310 HydrophobicContact CG-CD2 3.61Å; L304-F310 HydrophobicContact CG-CE1 4.33Å; L304-F310 HydrophobicContact CG-CE2 3.82Å; L304-F310 HydrophobicContact CG-CG 3.76Å; L304-F310 HydrophobicContact CG-CZ 4.2Å; L304-F310 WeakPolarHBondContact O-CB 3.45Å; L304-F310 WeakPolarHBondContact O-CD1 3.28Å; L304-F310 WeakPolarHBondContact O-CG 3.39Å; L305-F310 HydrophobicContact CD2-CE1 3.97Å; D307-F310 HydrophobicContact CB-CB 3.88Å; D307-F310 WeakPolarHBondContact O-CA 3.4Å; D307-F310 WeakPolarHBondContact O-CB 3.22Å; D307-F310 PolarHBondContact O-N 2.93Å; F310-F312 VanDerWaalsContact C-N 3.26Å; F310-F312 PolarHBondContact O-N 3.37Å; F310-I313 PolarHBondContact O-N 3.39Å; F310-I313 VanDerWaalsContact O-N 3.09Å; F310-L314 HydrophobicContact CE1-CD2 4.28Å; F310-L314 WeakPolarHBondContact O-CB 3.06Å; F310-L314 PolarHBondContact O-N 2.79Å
311L69Low68.3Low38 Ų3844.2 Ų44.220%0.19921%0.21CC..Hα-helixtrans-59-39.1177.8-68.7-178.6000112.3E278 L305 D307 L314 S315E278-L311 HydrophobicContact CG-CD2 4.06Å; E278-L311 WeakPolarHBondContact OE1-CD1 3.37Å; E278-L311 WeakPolarHBondContact OE1-CD2 3.42Å; L305-L311 WeakPolarHBondContact O-CD1 3.47Å; L305-L311 WeakPolarHBondContact O-CD2 3.48Å; L305-L311 WeakPolarHBondContact O-CG 3.46Å; D307-L311 PolarHBondContact O-N 3.02Å; L311-L314 PolarHBondContact O-N 2.94Å; L311-S315 WeakPolarHBondContact O-CB 3.38Å; L311-S315 PolarHBondContact O-N 3.22Å; L311-S315 PolarHBondContact O-OG 3.43Å
312F68.5Low68.7Low54 Ų5445.8 Ų45.824%0.23722%0.221CC..Hα-helixtrans-67.3-39.9174.9178.6-101.8000113K308 F310 L314 S315 F316 L359 M362K308-F312 VanDerWaalsContact O-CB 3.23Å; K308-F312 WeakPolarHBondContact O-CB 3.34Å; K308-F312 PolarHBondContact O-N 3.45Å; F310-F312 VanDerWaalsContact C-N 3.26Å; F310-F312 PolarHBondContact O-N 3.37Å; F312-L314 VanDerWaalsContact C-N 3.35Å; F312-S315 PolarHBondContact O-OG 2.67Å; F312-F316 WeakPolarHBondContact O-CB 3.25Å; F312-F316 PolarHBondContact O-N 3.44Å; F312-L359 HydrophobicContact CD1-CD2 4.49Å; F312-L359 HydrophobicContact CE1-CD2 3.18Å; F312-L359 HydrophobicContact CE1-CG 4.36Å; F312-L359 HydrophobicContact CZ-CD2 3.24Å; F312-L359 HydrophobicContact CZ-CG 3.98Å; F312-M362 HydrophobicContact CD1-CE 4.32Å; F312-M362 HydrophobicContact CD2-CE 3.55Å; F312-M362 HydrophobicContact CE1-CE 4.1Å; F312-M362 HydrophobicContact CE2-CE 3.32Å; F312-M362 HydrophobicContact CE2-SD 4.48Å; F312-M362 HydrophobicContact CG-CE 4.04Å; F312-M362 HydrophobicContact CZ-CE 3.61Å
313I64.6Low68.8Low26 Ų2645.7 Ų45.713%0.13322%0.222CC..Hα-helixtrans-66.7-39.8174.5-71.4168.1000110.6Y232 I236 T309 F310 F316 F317Y232-I313 HydrophobicContact CD1-CD1 4.03Å; Y232-I313 HydrophobicContact CE1-CD1 4.45Å; Y232-I313 HydrophobicContact CG-CD1 4.17Å; I236-I313 HydrophobicContact CD1-CG2 4.47Å; T309-I313 HydrophobicContact CG2-CD1 4.1Å; T309-I313 WeakPolarHBondContact O-CD1 3.48Å; T309-I313 VanDerWaalsContact O-CG1 3.24Å; T309-I313 WeakPolarHBondContact O-CG1 3.42Å; T309-I313 PolarHBondContact O-N 3.48Å; F310-I313 PolarHBondContact O-N 3.39Å; F310-I313 VanDerWaalsContact O-N 3.09Å; I313-F316 PolarHBondContact O-N 3.16Å; I313-F317 HydrophobicContact CG2-CD2 3.54Å; I313-F317 HydrophobicContact CG2-CE2 3.52Å; I313-F317 VanDerWaalsContact O-CD2 3.23Å; I313-F317 WeakPolarHBondContact O-CD2 3.48Å; I313-F317 PolarHBondContact O-N 2.96Å
314L68.5Low68.7Low0 Ų043 Ų430%021%0.206CC..Hα-helixtrans-62.4-45.6177.6-175.868.6000111.2V271 V274 F275 F310 L311 F312 F317 H318V271-L314 HydrophobicContact CG1-CD1 4.1Å; V274-L314 HydrophobicContact CG1-CD1 4.33Å; V274-L314 HydrophobicContact CG1-CD2 3.98Å; F275-L314 HydrophobicContact CB-CD2 4.22Å; F275-L314 HydrophobicContact CB-CG 4.18Å; F275-L314 HydrophobicContact CD2-CD2 4.19Å; F275-L314 HydrophobicContact CD2-CG 4.11Å; F310-L314 HydrophobicContact CE1-CD2 4.28Å; F310-L314 WeakPolarHBondContact O-CB 3.06Å; F310-L314 PolarHBondContact O-N 2.79Å; L311-L314 PolarHBondContact O-N 2.94Å; F312-L314 VanDerWaalsContact C-N 3.35Å; L314-F317 PolarHBondContact O-N 3.37Å; L314-H318 WeakPolarHBondContact O-CB 3.33Å; L314-H318 PolarHBondContact O-N 2.83Å
315S70.9Confident68.6Low40 Ų4042.5 Ų42.528%0.2820%0.203SC..Hα-helixtrans-65.4-38.6176.973.70000112.5F275 L311 F312 H318 R319F275-S315 VanDerWaalsContact CE2-CB 3.46Å; L311-S315 WeakPolarHBondContact O-CB 3.38Å; L311-S315 PolarHBondContact O-N 3.22Å; L311-S315 PolarHBondContact O-OG 3.43Å; F312-S315 PolarHBondContact O-OG 2.67Å; S315-H318 PolarHBondContact O-N 2.95Å; S315-R319 PolarHBondContact O-N 3.37Å
316F70.2Confident68.6Low29 Ų2946.4 Ų46.413%0.12722%0.223CC..Hα-helixtrans-60.9-48.6173.3173.3-96.8000111.7F312 I313 R319 A320 L355 L359 M379F312-F316 WeakPolarHBondContact O-CB 3.25Å; F312-F316 PolarHBondContact O-N 3.44Å; I313-F316 PolarHBondContact O-N 3.16Å; F316-R319 PolarHBondContact O-N 3.25Å; F316-A320 WeakPolarHBondContact O-CB 3.43Å; F316-A320 PolarHBondContact O-N 3.36Å; F316-L355 HydrophobicContact CD2-CB 4.34Å; F316-L355 HydrophobicContact CE2-CB 4Å; F316-L359 HydrophobicContact CD2-CD1 3.67Å; F316-L359 HydrophobicContact CD2-CG 4.48Å; F316-L359 HydrophobicContact CE2-CD1 3.47Å; F316-L359 VanDerWaalsContact CE2-CD1 3.47Å; F316-L359 HydrophobicContact CZ-CD1 4.26Å; F316-M379 HydrophobicContact CE1-CE 3.91Å; F316-M379 HydrophobicContact CZ-CE 4.18Å
317F69.4Low68.1Low10 Ų1042.3 Ų42.34%0.04420%0.204CC..Hα-helixtrans-68.9-36.5179.2-82-64.9000112.7F233 I236 V271 I313 L314 R319 A320 F321 M379F233-F317 HydrophobicContact CD2-CE1 4.47Å; F233-F317 HydrophobicContact CD2-CZ 4.28Å; F233-F317 HydrophobicContact CE2-CE1 4.46Å; I236-F317 HydrophobicContact CD1-CD2 4.44Å; V271-F317 HydrophobicContact CG1-CB 4.01Å; I313-F317 HydrophobicContact CG2-CD2 3.54Å; I313-F317 HydrophobicContact CG2-CE2 3.52Å; I313-F317 VanDerWaalsContact O-CD2 3.23Å; I313-F317 WeakPolarHBondContact O-CD2 3.48Å; I313-F317 PolarHBondContact O-N 2.96Å; L314-F317 PolarHBondContact O-N 3.37Å; F317-R319 VanDerWaalsContact C-N 3.35Å; F317-R319 PolarHBondContact O-N 2.88Å; F317-A320 PolarHBondContact O-N 3.48Å; F317-F321 HydrophobicContact CB-CD2 4.19Å; F317-F321 HydrophobicContact CB-CE2 4.18Å; F317-F321 AromaticContact CD1-CE2 4Å; F317-F321 HydrophobicContact CD1-CE2 4Å; F317-F321 HydrophobicContact CD1-CZ 4.29Å; F317-F321 HydrophobicContact CG-CE2 4.41Å; F317-F321 VanDerWaalsContact O-CB 3.25Å; F317-F321 WeakPolarHBondContact O-CB 3.47Å; F317-F321 WeakPolarHBondContact O-CD2 3.4Å; F317-F321 WeakPolarHBondContact O-CG 3.18Å; F317-F321 PolarHBondContact O-N 2.86Å; F317-M379 HydrophobicContact CE1-CE 4.31Å; F317-M379 HydrophobicContact CE1-SD 4.14Å
318H73.8Confident67.5Low36 Ų3641.1 Ų41.117%0.16720%0.195CC..Hα-helixtrans-54.5-53.7171.6175.399.8000109.6V271 H272 F275 L314 S315 A320 F321 T322V271-H318 HydrophobicContact CG1-CB 4.2Å; H272-H318 AromaticContact CE1-ND1 3.9Å; H272-H318 PolarHBondContact CE1-O 3.23Å; H272-H318 AromaticContact CG-ND1 3.88Å; H272-H318 AromaticContact ND1-CE1 3.16Å; H272-H318 PolarHBondContact ND1-CE1 3.03Å; H272-H318 AromaticContact ND1-CG 3.56Å; H272-H318 AromaticContact ND1-ND1 2.96Å; H272-H318 PolarHBondContact ND1-ND1 2.8Å; H272-H318 AromaticContact ND1-NE2 3.82Å; F275-H318 HydrophobicContact CB-CB 4.25Å; F275-H318 HydrophobicContact CD1-CB 4.2Å; F275-H318 AromaticContact CD1-CD2 3.91Å; F275-H318 AromaticContact CD1-CE1 3.59Å; F275-H318 AromaticContact CD1-CG 3.59Å; F275-H318 AromaticContact CD1-ND1 3.35Å; F275-H318 WeakPolarHBondContact CD1-ND1 3.42Å; F275-H318 AromaticContact CD1-NE2 3.94Å; F275-H318 HydrophobicContact CD2-CB 4.49Å; F275-H318 HydrophobicContact CG-CB 4.04Å; F275-H318 AromaticContact CG-CG 3.9Å; F275-H318 AromaticContact CG-ND1 3.74Å; L314-H318 WeakPolarHBondContact O-CB 3.33Å; L314-H318 PolarHBondContact O-N 2.83Å; S315-H318 PolarHBondContact O-N 2.95Å; H318-A320 PolarHBondContact O-N 2.87Å; H318-F321 PolarHBondContact O-N 3.49Å; H318-T322 PolarHBondContact O-N 2.59Å; H318-T322 PolarHBondContact O-OG1 3.25Å
319R70.9Confident67.3Low139 Ų13936.4 Ų36.453%0.52518%0.179SC..Hα-helixtrans-68.9-36.2-177.4-165.9158.7169.4-171.73113.5S315 F316 F317 H323 L355S315-R319 PolarHBondContact O-N 3.37Å; F316-R319 PolarHBondContact O-N 3.25Å; F317-R319 VanDerWaalsContact C-N 3.35Å; F317-R319 PolarHBondContact O-N 2.88Å; R319-H323 PolarHBondContact O-CD2 3.37Å; R319-H323 VanDerWaalsContact O-CD2 3.24Å; R319-L355 HydrophobicContact CB-CD1 4.41Å; R319-L355 HydrophobicContact CB-CD2 4.4Å; R319-L355 HydrophobicContact CG-CD1 4.14Å; R319-L355 HydrophobicContact CG-CD2 4Å
320A67Low67.1Low0 Ų037.4 Ų37.40%018%0.183CC..Hα-helixtrans-65.8-45.2174.700000111.5F316 F317 H318 T322 H323 V324 I352F316-A320 WeakPolarHBondContact O-CB 3.43Å; F316-A320 PolarHBondContact O-N 3.36Å; F317-A320 PolarHBondContact O-N 3.48Å; H318-A320 PolarHBondContact O-N 2.87Å; A320-T322 PolarHBondContact O-N 3.27Å; A320-H323 PolarHBondContact O-N 3.41Å; A320-V324 WeakPolarHBondContact O-CG2 3.29Å; A320-V324 PolarHBondContact O-N 3.01Å; A320-V324 VanDerWaalsContact O-N 3.12Å; A320-I352 HydrophobicContact CB-CD1 3.96Å
321F69.8Low66.5Low7 Ų738.4 Ų38.43%0.03119%0.188CC..Hα-helixtrans-68-31.2-179.6-78.1-45.1000113.3F233 V271 F317 H318 H323 V324 D325F233-F321 HydrophobicContact CE2-CE2 4.24Å; F233-F321 AromaticContact CE2-CZ 3.97Å; F233-F321 HydrophobicContact CE2-CZ 3.97Å; F233-F321 HydrophobicContact CZ-CZ 4.19Å; V271-F321 HydrophobicContact CB-CD2 4.11Å; V271-F321 HydrophobicContact CB-CE2 4.46Å; V271-F321 HydrophobicContact CG1-CD2 4.15Å; V271-F321 HydrophobicContact CG2-CD2 4.18Å; V271-F321 HydrophobicContact CG2-CE2 4.02Å; F317-F321 HydrophobicContact CB-CD2 4.19Å; F317-F321 HydrophobicContact CB-CE2 4.18Å; F317-F321 AromaticContact CD1-CE2 4Å; F317-F321 HydrophobicContact CD1-CE2 4Å; F317-F321 HydrophobicContact CD1-CZ 4.29Å; F317-F321 HydrophobicContact CG-CE2 4.41Å; F317-F321 VanDerWaalsContact O-CB 3.25Å; F317-F321 WeakPolarHBondContact O-CB 3.47Å; F317-F321 WeakPolarHBondContact O-CD2 3.4Å; F317-F321 WeakPolarHBondContact O-CG 3.18Å; F317-F321 PolarHBondContact O-N 2.86Å; H318-F321 PolarHBondContact O-N 3.49Å; F321-H323 PolarHBondContact O-N 3.4Å; F321-V324 HydrophobicContact CD1-CB 4.34Å; F321-V324 HydrophobicContact CD1-CG2 4.36Å; F321-V324 PolarHBondContact O-N 3.03Å; F321-V324 VanDerWaalsContact O-N 3.13Å; F321-D325 WeakPolarHBondContact O-CB 3Å; F321-D325 PolarHBondContact O-N 3.19Å
322T72.8Confident65.7Low54 Ų5440 Ų4033%0.33119%0.194SC..Hα-helixtrans-55.1-43171.6-50.10000111.5H272 H318 A320 I326H272-T322 PolarHBondContact CE1-OG1 2.95Å; H272-T322 VanDerWaalsContact CE1-OG1 3.28Å; H318-T322 PolarHBondContact O-N 2.59Å; H318-T322 PolarHBondContact O-OG1 3.25Å; A320-T322 PolarHBondContact O-N 3.27Å; T322-I326 HydrophobicContact CG2-CD1 4.25Å; T322-I326 WeakPolarHBondContact O-CD1 3.48Å; T322-I326 VanDerWaalsContact O-CG1 3.25Å; T322-I326 WeakPolarHBondContact O-CG1 3.44Å; T322-I326 PolarHBondContact O-N 2.9Å; T322-I326 VanDerWaalsContact O-N 3.12Å
323H67.6Low65Low50 Ų5044.2 Ų44.223%0.23121%0.213CC..Hα-helixtrans-74.5-34.8178.4-65.5-68.3000112.9R319 A320 F321 D325 H327 F348 S351R319-H323 PolarHBondContact O-CD2 3.37Å; R319-H323 VanDerWaalsContact O-CD2 3.24Å; A320-H323 PolarHBondContact O-N 3.41Å; F321-H323 PolarHBondContact O-N 3.4Å; H323-D325 VanDerWaalsContact C-N 3.35Å; H323-H327 WeakPolarHBondContact O-CB 3.29Å; H323-H327 PolarHBondContact O-N 3.47Å; H323-F348 HydrophobicContact CB-CD2 3.67Å; H323-F348 HydrophobicContact CB-CE2 4.19Å; H323-S351 PolarHBondContact CE1-OG 3.4Å; H323-S351 VanDerWaalsContact CE1-OG 3.27Å; H323-S351 WeakPolarHBondContact NE2-CB 3.3Å; H323-S351 PolarHBondContact NE2-OG 2.75Å
324V66.5Low63.9Low11 Ų1148.1 Ų48.17%0.06724%0.241CC..Hα-helixtrans-61.7-44.1172.6175.70000110.7W264 A320 F321 H327 Y328 F348W264-V324 HydrophobicContact CD2-CG1 4.47Å; W264-V324 HydrophobicContact CE3-CG1 3.54Å; W264-V324 HydrophobicContact CZ3-CG1 3.75Å; A320-V324 WeakPolarHBondContact O-CG2 3.29Å; A320-V324 PolarHBondContact O-N 3.01Å; A320-V324 VanDerWaalsContact O-N 3.12Å; F321-V324 HydrophobicContact CD1-CB 4.34Å; F321-V324 HydrophobicContact CD1-CG2 4.36Å; F321-V324 PolarHBondContact O-N 3.03Å; F321-V324 VanDerWaalsContact O-N 3.13Å; V324-H327 PolarHBondContact O-N 3.05Å; V324-Y328 VanDerWaalsContact O-CB 3.3Å; V324-Y328 WeakPolarHBondContact O-CB 3.35Å; V324-Y328 PolarHBondContact O-N 2.92Å; V324-F348 HydrophobicContact CG2-CE2 3.61Å; V324-F348 HydrophobicContact CG2-CZ 4.08Å
325D64.7Low62.8Low21 Ų2152.6 Ų52.611%0.11228%0.278CS..Hα-helixtrans-67.1-41.1-179-73.5-8.4000111.7S268 H272 F321 H323 H327 Y328 N329S268-D325 WeakPolarHBondContact CB-OD1 3.13Å; S268-D325 WeakPolarHBondContact CB-OD2 3.47Å; S268-D325 VanDerWaalsContact OG-CG 3.24Å; S268-D325 PolarHBondContact OG-OD1 3.1Å; S268-D325 PolarHBondContact OG-OD2 3.14Å; H272-D325 IonicContact CD2-OD2 3.53Å; H272-D325 IonicContact NE2-OD2 2.96Å; F321-D325 WeakPolarHBondContact O-CB 3Å; F321-D325 PolarHBondContact O-N 3.19Å; H323-D325 VanDerWaalsContact C-N 3.35Å; D325-H327 VanDerWaalsContact C-N 3.34Å; D325-H327 PolarHBondContact O-N 3.36Å; D325-Y328 PolarHBondContact O-N 3.21Å; D325-N329 VanDerWaalsContact O-CB 3.3Å; D325-N329 WeakPolarHBondContact O-CB 3.45Å; D325-N329 PolarHBondContact O-N 2.78Å; D325-N329 PolarHBondContact O-ND2 2.89Å; D325-N329 VanDerWaalsContact O-ND2 3.12Å
326I68.4Low61.7Low88 Ų8852.6 Ų52.645%0.45127%0.274SS..Hα-helixtrans-59.2-47.2172.7-68.8163.9000110.4T322 N329 I330T322-I326 HydrophobicContact CG2-CD1 4.25Å; T322-I326 WeakPolarHBondContact O-CD1 3.48Å; T322-I326 VanDerWaalsContact O-CG1 3.25Å; T322-I326 WeakPolarHBondContact O-CG1 3.44Å; T322-I326 PolarHBondContact O-N 2.9Å; T322-I326 VanDerWaalsContact O-N 3.12Å; I326-N329 PolarHBondContact O-N 2.84Å; I326-I330 HydrophobicContact CG2-CD1 3.84Å; I326-I330 WeakPolarHBondContact O-CD1 3.35Å; I326-I330 VanDerWaalsContact O-CG1 3.27Å; I326-I330 WeakPolarHBondContact O-CG1 3.46Å; I326-I330 PolarHBondContact O-N 3.31Å
327H61.5Low60.7Low22 Ų2253.2 Ų53.210%0.10228%0.279CS..Hα-helixtrans-64.1-42179.1-169.1-82.6000111.7H323 V324 D325 I330 L331H323-H327 WeakPolarHBondContact O-CB 3.29Å; H323-H327 PolarHBondContact O-N 3.47Å; V324-H327 PolarHBondContact O-N 3.05Å; D325-H327 VanDerWaalsContact C-N 3.34Å; D325-H327 PolarHBondContact O-N 3.36Å; H327-I330 PolarHBondContact O-N 3Å; H327-L331 VanDerWaalsContact CE1-CD1 3.48Å; H327-L331 WeakPolarHBondContact CE1-CD1 3.26Å; H327-L331 WeakPolarHBondContact ND1-CD1 3.31Å; H327-L331 WeakPolarHBondContact O-CB 3.06Å; H327-L331 WeakPolarHBondContact O-CG 3.31Å; H327-L331 PolarHBondContact O-N 2.97Å
328Y59.1Low59.8Low29 Ų2954.1 Ų54.111%0.11429%0.286CS..Hα-helixtrans-63.5-42.2177.1-166.6-100.8000112.3N265 V324 D325 I330 L331 Q332 A482 E485N265-Y328 WeakPolarHBondContact ND2-CD1 3.45Å; N265-Y328 VanDerWaalsContact ND2-CE1 3.3Å; N265-Y328 WeakPolarHBondContact ND2-CE1 3.34Å; N265-Y328 VanDerWaalsContact OD1-CD1 3.32Å; N265-Y328 WeakPolarHBondContact OD1-CD1 3.3Å; V324-Y328 VanDerWaalsContact O-CB 3.3Å; V324-Y328 WeakPolarHBondContact O-CB 3.35Å; V324-Y328 PolarHBondContact O-N 2.92Å; D325-Y328 PolarHBondContact O-N 3.21Å; Y328-I330 VanDerWaalsContact C-N 3.34Å; Y328-I330 PolarHBondContact O-N 2.78Å; Y328-L331 CarbonylContact O-C 3.58Å; Y328-L331 PolarHBondContact O-N 3.35Å; Y328-Q332 HydrophobicContact CD1-CG 4.4Å; Y328-Q332 HydrophobicContact CE1-CG 4.12Å; Y328-Q332 VanDerWaalsContact CE1-NE2 3.26Å; Y328-Q332 PolarHBondContact O-N 2.92Å; Y328-A482 HydrophobicContact CE1-CB 4.36Å; Y328-A482 HydrophobicContact CE2-CB 4.12Å; Y328-E485 PolarHBondContact OH-OE1 2.85Å; Y328-E485 VanDerWaalsContact OH-OE1 3.1Å; Y328-E485 PolarHBondContact OH-OE2 3.11Å
329N61.2Low58.8Low82 Ų8254.7 Ų54.744%0.43929%0.292SS..Hα-helixtrans-67.5-33.6176.9-72.9-28000112.7D325 I326D325-N329 VanDerWaalsContact O-CB 3.3Å; D325-N329 WeakPolarHBondContact O-CB 3.45Å; D325-N329 PolarHBondContact O-N 2.78Å; D325-N329 PolarHBondContact O-ND2 2.89Å; D325-N329 VanDerWaalsContact O-ND2 3.12Å; I326-N329 PolarHBondContact O-N 2.84Å
330I58Low58.1Low45 Ų4554.5 Ų54.523%0.23130%0.295CS..Hα-helixtrans-64.4-54171-70.6164.7000108I326 H327 Y328 Q332 K333 M336 A344I326-I330 HydrophobicContact CG2-CD1 3.84Å; I326-I330 WeakPolarHBondContact O-CD1 3.35Å; I326-I330 VanDerWaalsContact O-CG1 3.27Å; I326-I330 WeakPolarHBondContact O-CG1 3.46Å; I326-I330 PolarHBondContact O-N 3.31Å; H327-I330 PolarHBondContact O-N 3Å; Y328-I330 VanDerWaalsContact C-N 3.34Å; Y328-I330 PolarHBondContact O-N 2.78Å; I330-Q332 PolarHBondContact O-N 3.46Å; I330-K333 PolarHBondContact O-N 3.22Å; I330-K333 VanDerWaalsContact O-N 3.09Å; I330-M336 HydrophobicContact CB-CE 4.49Å; I330-M336 HydrophobicContact CG2-CE 3.53Å; I330-M336 HydrophobicContact CG2-SD 3.69Å; I330-M336 WeakPolarHBondContact O-CE 3.36Å; I330-A344 HydrophobicContact CD1-CB 3.82Å
331L54.9Low57.6Low26 Ų2654.8 Ų54.814%0.13630%0.297CS..Hα-helixtrans-56.4-22.6177.8-75.1-174.4000115.8H327 Y328 M336 T341 T480H327-L331 VanDerWaalsContact CE1-CD1 3.48Å; H327-L331 WeakPolarHBondContact CE1-CD1 3.26Å; H327-L331 WeakPolarHBondContact ND1-CD1 3.31Å; H327-L331 WeakPolarHBondContact O-CB 3.06Å; H327-L331 WeakPolarHBondContact O-CG 3.31Å; H327-L331 PolarHBondContact O-N 2.97Å; Y328-L331 CarbonylContact O-C 3.58Å; Y328-L331 PolarHBondContact O-N 3.35Å; L331-M336 VanDerWaalsContact CA-CE 3.46Å; L331-M336 HydrophobicContact CD2-CE 3.93Å; L331-T341 HydrophobicContact CD2-CG2 3.87Å; L331-T480 HydrophobicContact CB-CG2 4.03Å; L331-T480 HydrophobicContact CD1-CG2 4.47Å; L331-T480 HydrophobicContact CD2-CG2 3.95Å; L331-T480 HydrophobicContact CG-CG2 4.36Å; L331-T480 PolarHBondContact O-OG1 2.81Å
332Q52.1Low57Low70 Ų7060.2 Ų60.233%0.32732%0.32SS..THydrogen-bonded Turntrans-79.6-15.3177.6-93.5-171.5-15.600115.2Y328 I330 A482Y328-Q332 HydrophobicContact CD1-CG 4.4Å; Y328-Q332 HydrophobicContact CE1-CG 4.12Å; Y328-Q332 VanDerWaalsContact CE1-NE2 3.26Å; Y328-Q332 PolarHBondContact O-N 2.92Å; I330-Q332 PolarHBondContact O-N 3.46Å; Q332-A482 HydrophobicContact CB-CB 4.3Å; Q332-A482 HydrophobicContact CG-CB 3.2Å
333K52.5Low56.5Low144 Ų14463.1 Ų63.163%0.62633%0.33SS*.  trans-82.5133.4-177-68-177.2179.5-176.50110.4I330 A335 M336I330-K333 PolarHBondContact O-N 3.22Å; I330-K333 VanDerWaalsContact O-N 3.09Å; K333-A335 VanDerWaalsContact C-N 3.27Å; K333-A335 PolarHBondContact O-N 3.06Å; K333-M336 WeakPolarHBondContact O-CG 3.2Å
334C41.4Very low56.2Low107 Ų10761.5 Ų61.572%0.72333%0.326SS*.SBendtrans-69.8-20.4-177.4-162.30000114.1E483C334-E483 WeakPolarHBondContact CA-OE1 3.29Å; C334-E483 WeakPolarHBondContact CB-OE1 3.14Å; C334-E483 PolarHBondContact SG-OE1 3.3Å
335A45.7Very low56.1Low94 Ų9462.1 Ų62.178%0.77733%0.328SS*.SBendtrans-110.799.1174.400000109K333K333-A335 VanDerWaalsContact C-N 3.27Å; K333-A335 PolarHBondContact O-N 3.06Å
336M48.9Very low56.1Low41 Ų4165.3 Ų65.320%0.20234%0.343CS..  trans-115.5127.8-175-78.8-82.3-93.200111.7I330 L331 K333 P338 T341I330-M336 HydrophobicContact CB-CE 4.49Å; I330-M336 HydrophobicContact CG2-CE 3.53Å; I330-M336 HydrophobicContact CG2-SD 3.69Å; I330-M336 WeakPolarHBondContact O-CE 3.36Å; L331-M336 VanDerWaalsContact CA-CE 3.46Å; L331-M336 HydrophobicContact CD2-CE 3.93Å; K333-M336 WeakPolarHBondContact O-CG 3.2Å; M336-P338 WeakPolarHBondContact O-CD 3.37Å; M336-T341 HydrophobicContact CE-CG2 4.44Å; M336-T341 WeakPolarHBondContact CE-OG1 3.26Å
337N49.3Very low56.1Low41 Ų4165 Ų6522%0.21934%0.342CS..  trans-88116170.5-172.4-39.9000107.9T339 K340 T341 D402N337-T339 VanDerWaalsContact CG-OG1 3.3Å; N337-T339 PolarHBondContact O-N 3.27Å; N337-T339 VanDerWaalsContact O-N 3.08Å; N337-T339 WeakPolarHBondContact OD1-CB 3.2Å; N337-T339 PolarHBondContact OD1-N 3.38Å; N337-T339 VanDerWaalsContact OD1-N 3.08Å; N337-T339 PolarHBondContact OD1-OG1 2.93Å; N337-K340 HydrophobicContact CB-CB 4.46Å; N337-K340 HydrophobicContact CB-CD 4.22Å; N337-K340 HydrophobicContact CB-CG 4.19Å; N337-K340 PolarHBondContact O-N 3.09Å; N337-T341 PolarHBondContact O-N 3.07Å; N337-T341 PolarHBondContact O-OG1 2.88Å; N337-D402 PolarHBondContact ND2-OD2 3.42Å
338P49.4Very low56.3Low29 Ų2964.4 Ų64.419%0.18834%0.339CS..Hα-helixtrans-51.2-33.8-178.7-28.235000113.6M336 T341 K342M336-P338 WeakPolarHBondContact O-CD 3.37Å; P338-T341 PolarHBondContact O-N 2.97Å; P338-K342 WeakPolarHBondContact O-CB 3.26Å; P338-K342 PolarHBondContact O-N 3.24Å
339T52.3Low56.6Low49 Ų4965.2 Ų65.230%0.30135%0.347SS..Hα-helixtrans-64.8-40.8178.3670000112.3N337 T341 K342 Q343N337-T339 VanDerWaalsContact CG-OG1 3.3Å; N337-T339 PolarHBondContact O-N 3.27Å; N337-T339 VanDerWaalsContact O-N 3.08Å; N337-T339 WeakPolarHBondContact OD1-CB 3.2Å; N337-T339 PolarHBondContact OD1-N 3.38Å; N337-T339 VanDerWaalsContact OD1-N 3.08Å; N337-T339 PolarHBondContact OD1-OG1 2.93Å; T339-T341 VanDerWaalsContact C-N 3.35Å; T339-T341 PolarHBondContact O-N 3.08Å; T339-K342 PolarHBondContact O-N 3.18Å; T339-Q343 WeakPolarHBondContact O-CB 3.36Å; T339-Q343 WeakPolarHBondContact O-CG 3.42Å; T339-Q343 PolarHBondContact O-N 3.27Å
340K57.3Low57.1Low134 Ų13467.8 Ų67.858%0.58335%0.35SS*.Hα-helixtrans-67.5-36.5177.3-68.7-176.9-179.2173.90111.4N337 A344N337-K340 HydrophobicContact CB-CB 4.46Å; N337-K340 HydrophobicContact CB-CD 4.22Å; N337-K340 HydrophobicContact CB-CG 4.19Å; N337-K340 PolarHBondContact O-N 3.09Å; K340-A344 VanDerWaalsContact O-CB 3.29Å; K340-A344 WeakPolarHBondContact O-CB 3.33Å; K340-A344 PolarHBondContact O-N 3.44Å
341T55.3Low57.5Low7 Ų767.1 Ų67.14%0.04335%0.35CS..Hα-helixtrans-68-43176.3-47.20000111.3L331 M336 N337 P338 T339 A344 L345 F387L331-T341 HydrophobicContact CD2-CG2 3.87Å; M336-T341 HydrophobicContact CE-CG2 4.44Å; M336-T341 WeakPolarHBondContact CE-OG1 3.26Å; N337-T341 PolarHBondContact O-N 3.07Å; N337-T341 PolarHBondContact O-OG1 2.88Å; P338-T341 PolarHBondContact O-N 2.97Å; T339-T341 VanDerWaalsContact C-N 3.35Å; T339-T341 PolarHBondContact O-N 3.08Å; T341-A344 PolarHBondContact O-N 3.15Å; T341-L345 PolarHBondContact O-N 2.89Å; T341-F387 HydrophobicContact CG2-CE2 4.28Å
342K58.5Low58.1Low120 Ų12066 Ų6652%0.52234%0.344SS..Hα-helixtrans-63.4-45.7175.3-171.1179176.8-176.40112P338 T339 A344 L345 E346 F387P338-K342 WeakPolarHBondContact O-CB 3.26Å; P338-K342 PolarHBondContact O-N 3.24Å; T339-K342 PolarHBondContact O-N 3.18Å; K342-A344 PolarHBondContact O-N 3.04Å; K342-L345 WeakPolarHBondContact O-CB 3.25Å; K342-L345 PolarHBondContact O-N 3.2Å; K342-E346 WeakPolarHBondContact O-CG 3.4Å; K342-E346 PolarHBondContact O-N 3.46Å; K342-F387 HydrophobicContact CB-CZ 4.48Å; K342-F387 HydrophobicContact CG-CZ 4.49Å
343Q62.8Low58.9Low116 Ų11665.6 Ų65.654%0.54234%0.344SS..Hα-helixtrans-62.1-40.9175.1-75.6178.1-2.300112.5T339 L345 E346 N347T339-Q343 WeakPolarHBondContact O-CB 3.36Å; T339-Q343 WeakPolarHBondContact O-CG 3.42Å; T339-Q343 PolarHBondContact O-N 3.27Å; Q343-L345 VanDerWaalsContact C-N 3.3Å; Q343-L345 PolarHBondContact O-N 3.5Å; Q343-E346 PolarHBondContact O-N 3.18Å; Q343-N347 VanDerWaalsContact O-CB 3.29Å; Q343-N347 WeakPolarHBondContact O-CB 3.29Å; Q343-N347 PolarHBondContact O-N 3.29Å; Q343-N347 PolarHBondContact O-ND2 3.01Å
344A61.3Low59.7Low16 Ų1662.1 Ų62.113%0.13234%0.335CS..Hα-helixtrans-61.9-37.9175.900000112I330 K340 T341 K342 F348I330-A344 HydrophobicContact CD1-CB 3.82Å; K340-A344 VanDerWaalsContact O-CB 3.29Å; K340-A344 WeakPolarHBondContact O-CB 3.33Å; K340-A344 PolarHBondContact O-N 3.44Å; T341-A344 PolarHBondContact O-N 3.15Å; K342-A344 PolarHBondContact O-N 3.04Å; A344-F348 WeakPolarHBondContact O-CB 3.29Å; A344-F348 PolarHBondContact O-N 3.04Å
345L62.6Low60.8Low24 Ų2457.7 Ų57.713%0.12630%0.304CS..Hα-helixtrans-68.5-44.5175.4-174.479.5000112.3T341 K342 Q343 N347 F348 T349 F387T341-L345 PolarHBondContact O-N 2.89Å; K342-L345 WeakPolarHBondContact O-CB 3.25Å; K342-L345 PolarHBondContact O-N 3.2Å; Q343-L345 VanDerWaalsContact C-N 3.3Å; Q343-L345 PolarHBondContact O-N 3.5Å; L345-N347 VanDerWaalsContact C-N 3.29Å; L345-N347 PolarHBondContact O-N 2.93Å; L345-F348 PolarHBondContact O-N 3.35Å; L345-T349 WeakPolarHBondContact O-CB 3.3Å; L345-T349 PolarHBondContact O-N 2.92Å; L345-T349 PolarHBondContact O-OG1 2.84Å; L345-F387 HydrophobicContact CB-CD2 4.25Å; L345-F387 HydrophobicContact CB-CE2 4.1Å; L345-F387 HydrophobicContact CD1-CB 4.3Å; L345-F387 HydrophobicContact CD1-CD2 4.16Å; L345-F387 HydrophobicContact CD1-CG 4.28Å; L345-F387 HydrophobicContact CD2-CB 4.25Å; L345-F387 HydrophobicContact CD2-CD1 3.58Å; L345-F387 HydrophobicContact CD2-CD2 3.64Å; L345-F387 HydrophobicContact CD2-CE1 3.69Å; L345-F387 HydrophobicContact CD2-CE2 3.75Å; L345-F387 HydrophobicContact CD2-CG 3.54Å; L345-F387 HydrophobicContact CD2-CZ 3.77Å; L345-F387 HydrophobicContact CG-CD2 4.22Å; L345-F387 HydrophobicContact CG-CE2 4.42Å; L345-F387 HydrophobicContact CG-CG 4.43Å
346E65.6Low61.5Low88 Ų8853.9 Ų53.941%0.41127%0.271SS..Hα-helixtrans-61.7-42.3177.1-73.4174.6-171.500110.6K342 Q343 T349 R350K342-E346 WeakPolarHBondContact O-CG 3.4Å; K342-E346 PolarHBondContact O-N 3.46Å; Q343-E346 PolarHBondContact O-N 3.18Å; E346-T349 PolarHBondContact O-N 3.33Å; E346-R350 VanDerWaalsContact O-CB 3.24Å; E346-R350 WeakPolarHBondContact O-CB 3.32Å; E346-R350 PolarHBondContact O-N 3.49Å
347N67.9Low62.1Low82 Ų8256.8 Ų56.844%0.43929%0.287SS..Hα-helixtrans-64.5-44174.6-69.4-17.2000111.8Q343 L345 R350 S351Q343-N347 VanDerWaalsContact O-CB 3.29Å; Q343-N347 WeakPolarHBondContact O-CB 3.29Å; Q343-N347 PolarHBondContact O-N 3.29Å; Q343-N347 PolarHBondContact O-ND2 3.01Å; L345-N347 VanDerWaalsContact C-N 3.29Å; L345-N347 PolarHBondContact O-N 2.93Å; N347-R350 PolarHBondContact O-N 3.41Å; N347-R350 PolarHBondContact OD1-NH1 3.37Å; N347-S351 WeakPolarHBondContact O-CB 3.37Å; N347-S351 PolarHBondContact O-N 3.22Å; N347-S351 PolarHBondContact O-OG 3.28Å; N347-S351 VanDerWaalsContact O-OG 3.12Å
348F67.1Low62.5Low8 Ų857.9 Ų57.94%0.03530%0.298CS..Hα-helixtrans-59.1-49174.8175.4-99000111.5H323 V324 A344 L345 R350 S351 I352 S383H323-F348 HydrophobicContact CB-CD2 3.67Å; H323-F348 HydrophobicContact CB-CE2 4.19Å; V324-F348 HydrophobicContact CG2-CE2 3.61Å; V324-F348 HydrophobicContact CG2-CZ 4.08Å; A344-F348 WeakPolarHBondContact O-CB 3.29Å; A344-F348 PolarHBondContact O-N 3.04Å; L345-F348 PolarHBondContact O-N 3.35Å; F348-R350 VanDerWaalsContact C-N 3.35Å; F348-R350 PolarHBondContact O-N 3.18Å; F348-S351 PolarHBondContact O-N 3.26Å; F348-I352 HydrophobicContact CD1-CG1 4.32Å; F348-I352 HydrophobicContact CD2-CG1 4.26Å; F348-I352 HydrophobicContact CE1-CG1 3.93Å; F348-I352 HydrophobicContact CE2-CD1 4.05Å; F348-I352 HydrophobicContact CE2-CG1 3.83Å; F348-I352 HydrophobicContact CG-CG1 4.48Å; F348-I352 HydrophobicContact CZ-CD1 4.02Å; F348-I352 HydrophobicContact CZ-CG1 3.66Å; F348-I352 WeakPolarHBondContact O-CB 3.46Å; F348-I352 VanDerWaalsContact O-CG1 3.3Å; F348-I352 WeakPolarHBondContact O-CG1 3.3Å; F348-I352 PolarHBondContact O-N 3.19Å; F348-S383 VanDerWaalsContact CE1-OG 3.29Å; F348-S383 WeakPolarHBondContact CE1-OG 2.89Å
349T64Low62.7Low47 Ų4757.9 Ų57.929%0.28830%0.296SS..Hα-helixtrans-62.8-43.4-179.4-55.30000110.9L345 E346 N353L345-T349 WeakPolarHBondContact O-CB 3.3Å; L345-T349 PolarHBondContact O-N 2.92Å; L345-T349 PolarHBondContact O-OG1 2.84Å; E346-T349 PolarHBondContact O-N 3.33Å; T349-N353 WeakPolarHBondContact O-CB 3.43Å; T349-N353 PolarHBondContact O-N 3.48Å; T349-N353 PolarHBondContact O-ND2 2.86Å
350R71.1Confident62.7Low135 Ų13560.7 Ų60.751%0.50931%0.313SS..Hα-helixtrans-62.5-48.2175.8-167.3-177.5-60.8107.20.2111.1E346 N347 F348 I352 N353 V354E346-R350 VanDerWaalsContact O-CB 3.24Å; E346-R350 WeakPolarHBondContact O-CB 3.32Å; E346-R350 PolarHBondContact O-N 3.49Å; N347-R350 PolarHBondContact O-N 3.41Å; N347-R350 PolarHBondContact OD1-NH1 3.37Å; F348-R350 VanDerWaalsContact C-N 3.35Å; F348-R350 PolarHBondContact O-N 3.18Å; R350-I352 PolarHBondContact O-N 3.49Å; R350-N353 PolarHBondContact O-N 3.33Å; R350-V354 WeakPolarHBondContact O-CG2 3.38Å; R350-V354 PolarHBondContact O-N 3.41Å
351S67.6Low62.4Low32 Ų3262.1 Ų62.122%0.22432%0.322CS..Hα-helixtrans-61.8-43.6178.5-710000112.8H323 N347 F348 N353 V354 L355H323-S351 PolarHBondContact CE1-OG 3.4Å; H323-S351 VanDerWaalsContact CE1-OG 3.27Å; H323-S351 WeakPolarHBondContact NE2-CB 3.3Å; H323-S351 PolarHBondContact NE2-OG 2.75Å; N347-S351 WeakPolarHBondContact O-CB 3.37Å; N347-S351 PolarHBondContact O-N 3.22Å; N347-S351 PolarHBondContact O-OG 3.28Å; N347-S351 VanDerWaalsContact O-OG 3.12Å; F348-S351 PolarHBondContact O-N 3.26Å; S351-N353 VanDerWaalsContact C-N 3.3Å; S351-N353 PolarHBondContact O-N 3.35Å; S351-V354 PolarHBondContact O-N 3.48Å; S351-L355 VanDerWaalsContact O-CG 3.24Å; S351-L355 WeakPolarHBondContact O-CG 3.11Å; S351-L355 PolarHBondContact O-N 3.1Å
352I67Low62Low2 Ų266.4 Ų66.41%0.0134%0.343CS..Hα-helixtrans-63.6-38.7175.8-67.4-67.9000110.8A320 F348 R350 L355 N356 I380A320-I352 HydrophobicContact CB-CD1 3.96Å; F348-I352 HydrophobicContact CD1-CG1 4.32Å; F348-I352 HydrophobicContact CD2-CG1 4.26Å; F348-I352 HydrophobicContact CE1-CG1 3.93Å; F348-I352 HydrophobicContact CE2-CD1 4.05Å; F348-I352 HydrophobicContact CE2-CG1 3.83Å; F348-I352 HydrophobicContact CG-CG1 4.48Å; F348-I352 HydrophobicContact CZ-CD1 4.02Å; F348-I352 HydrophobicContact CZ-CG1 3.66Å; F348-I352 WeakPolarHBondContact O-CB 3.46Å; F348-I352 VanDerWaalsContact O-CG1 3.3Å; F348-I352 WeakPolarHBondContact O-CG1 3.3Å; F348-I352 PolarHBondContact O-N 3.19Å; R350-I352 PolarHBondContact O-N 3.49Å; I352-L355 HydrophobicContact CD1-CD1 4.46Å; I352-L355 PolarHBondContact O-N 2.67Å; I352-N356 VanDerWaalsContact O-CG 3.31Å; I352-N356 PolarHBondContact O-N 3.13Å; I352-N356 VanDerWaalsContact O-N 3.09Å; I352-N356 PolarHBondContact O-ND2 3.38Å; I352-I380 HydrophobicContact CG2-CD1 4Å; I352-I380 HydrophobicContact CG2-CG1 4.14Å
353N68.8Low61.3Low61 Ų6168.5 Ų68.533%0.32635%0.354SS..Hα-helixtrans-66.9-43.8176.2-71.7-23.7000112.4T349 R350 S351 L355 N356 D357T349-N353 WeakPolarHBondContact O-CB 3.43Å; T349-N353 PolarHBondContact O-N 3.48Å; T349-N353 PolarHBondContact O-ND2 2.86Å; R350-N353 PolarHBondContact O-N 3.33Å; S351-N353 VanDerWaalsContact C-N 3.3Å; S351-N353 PolarHBondContact O-N 3.35Å; N353-L355 VanDerWaalsContact C-N 3.31Å; N353-L355 PolarHBondContact O-N 3.34Å; N353-N356 WeakPolarHBondContact O-CA 3.4Å; N353-N356 VanDerWaalsContact O-CB 3.3Å; N353-N356 WeakPolarHBondContact O-CB 3.24Å; N353-N356 PolarHBondContact O-N 3.49Å; N353-D357 PolarHBondContact O-N 3.32Å
354V69.8Low60.5Low72 Ų7269.1 Ų69.144%0.43637%0.366SS..Hα-helixtrans-59.9-41.2174.81710000111.5R350 S351 N356 D357 S358R350-V354 WeakPolarHBondContact O-CG2 3.38Å; R350-V354 PolarHBondContact O-N 3.41Å; S351-V354 PolarHBondContact O-N 3.48Å; V354-N356 PolarHBondContact O-N 2.88Å; V354-D357 PolarHBondContact O-N 3.47Å; V354-S358 PolarHBondContact O-N 3.45Å; V354-S358 VanDerWaalsContact O-N 3.15Å; V354-S358 PolarHBondContact O-OG 2.94Å
355L64.6Low59.7Low14 Ų1470.8 Ų70.87%0.07337%0.372CS..Hα-helixtrans-62.1-33.7174.2-69.5168.4000112.2F316 R319 S351 I352 N353 L359F316-L355 HydrophobicContact CD2-CB 4.34Å; F316-L355 HydrophobicContact CE2-CB 4Å; R319-L355 HydrophobicContact CB-CD1 4.41Å; R319-L355 HydrophobicContact CB-CD2 4.4Å; R319-L355 HydrophobicContact CG-CD1 4.14Å; R319-L355 HydrophobicContact CG-CD2 4Å; S351-L355 VanDerWaalsContact O-CG 3.24Å; S351-L355 WeakPolarHBondContact O-CG 3.11Å; S351-L355 PolarHBondContact O-N 3.1Å; I352-L355 HydrophobicContact CD1-CD1 4.46Å; I352-L355 PolarHBondContact O-N 2.67Å; N353-L355 VanDerWaalsContact C-N 3.31Å; N353-L355 PolarHBondContact O-N 3.34Å; L355-L359 WeakPolarHBondContact O-CB 3.35Å; L355-L359 WeakPolarHBondContact O-CD1 3.48Å; L355-L359 VanDerWaalsContact O-CG 3.3Å; L355-L359 WeakPolarHBondContact O-CG 3.41Å; L355-L359 PolarHBondContact O-N 3.48Å; L355-L359 VanDerWaalsContact O-N 3.09Å
356N60.3Low58.9Low14 Ų1477.7 Ų77.78%0.07540%0.404CS..Hα-helixtrans-69.7-37.6174.7-70.4-52.6000112.4I352 N353 V354 S358 L359 T360 R376I352-N356 VanDerWaalsContact O-CG 3.31Å; I352-N356 PolarHBondContact O-N 3.13Å; I352-N356 VanDerWaalsContact O-N 3.09Å; I352-N356 PolarHBondContact O-ND2 3.38Å; N353-N356 WeakPolarHBondContact O-CA 3.4Å; N353-N356 VanDerWaalsContact O-CB 3.3Å; N353-N356 WeakPolarHBondContact O-CB 3.24Å; N353-N356 PolarHBondContact O-N 3.49Å; V354-N356 PolarHBondContact O-N 2.88Å; N356-S358 VanDerWaalsContact C-N 3.33Å; N356-S358 PolarHBondContact O-N 3.1Å; N356-L359 VanDerWaalsContact O-CB 3.29Å; N356-L359 WeakPolarHBondContact O-CB 3.33Å; N356-L359 PolarHBondContact O-N 3.39Å; N356-L359 VanDerWaalsContact O-N 3.14Å; N356-T360 PolarHBondContact O-N 2.85Å; N356-T360 PolarHBondContact O-OG1 2.82Å; N356-R376 WeakPolarHBondContact ND2-CD 3.39Å; N356-R376 PolarHBondContact ND2-NE 3.34Å; N356-R376 PolarHBondContact ND2-NH2 2.8Å; N356-R376 WeakPolarHBondContact OD1-CD 3.45Å
357D61.5Low57.9Low102 Ų10282.6 Ų82.655%0.54543%0.427SS..Hα-helixtrans-66.3-40.3178.7-63.3-24.8000110.7N353 V354 L359 T360 Q361N353-D357 PolarHBondContact O-N 3.32Å; V354-D357 PolarHBondContact O-N 3.47Å; D357-L359 VanDerWaalsContact C-N 3.31Å; D357-L359 PolarHBondContact O-N 2.83Å; D357-T360 PolarHBondContact O-N 3.39Å; D357-Q361 PolarHBondContact O-N 2.94Å
358S58.3Low57Low64 Ų6484.9 Ų84.945%0.44843%0.429SS..Hα-helixtrans-63.3-33.5171.1-53.50000113.3V354 N356 T360V354-S358 PolarHBondContact O-N 3.45Å; V354-S358 VanDerWaalsContact O-N 3.15Å; V354-S358 PolarHBondContact O-OG 2.94Å; N356-S358 VanDerWaalsContact C-N 3.33Å; N356-S358 PolarHBondContact O-N 3.1Å; S358-T360 VanDerWaalsContact C-N 3.34Å
359L53.2Low55.9Low28 Ų2886.8 Ų86.815%0.14745%0.446CS..Hα-helixtrans-68.5-29.9174.2-84.5159000113.2F312 F316 L355 N356 D357F312-L359 HydrophobicContact CD1-CD2 4.49Å; F312-L359 HydrophobicContact CE1-CD2 3.18Å; F312-L359 HydrophobicContact CE1-CG 4.36Å; F312-L359 HydrophobicContact CZ-CD2 3.24Å; F312-L359 HydrophobicContact CZ-CG 3.98Å; F316-L359 HydrophobicContact CD2-CD1 3.67Å; F316-L359 HydrophobicContact CD2-CG 4.48Å; F316-L359 HydrophobicContact CE2-CD1 3.47Å; F316-L359 VanDerWaalsContact CE2-CD1 3.47Å; F316-L359 HydrophobicContact CZ-CD1 4.26Å; L355-L359 WeakPolarHBondContact O-CB 3.35Å; L355-L359 WeakPolarHBondContact O-CD1 3.48Å; L355-L359 VanDerWaalsContact O-CG 3.3Å; L355-L359 WeakPolarHBondContact O-CG 3.41Å; L355-L359 PolarHBondContact O-N 3.48Å; L355-L359 VanDerWaalsContact O-N 3.09Å; N356-L359 VanDerWaalsContact O-CB 3.29Å; N356-L359 WeakPolarHBondContact O-CB 3.33Å; N356-L359 PolarHBondContact O-N 3.39Å; N356-L359 VanDerWaalsContact O-N 3.14Å; D357-L359 VanDerWaalsContact C-N 3.31Å; D357-L359 PolarHBondContact O-N 2.83Å
360T52Low54.9Low108 Ų10895.5 Ų95.566%0.66347%0.474SS*.Hα-helixtrans-80.1-27.3-175-43.70000111.6N356 D357 S358N356-T360 PolarHBondContact O-N 2.85Å; N356-T360 PolarHBondContact O-OG1 2.82Å; D357-T360 PolarHBondContact O-N 3.39Å; S358-T360 VanDerWaalsContact C-N 3.34Å
361Q51.2Low53.8Low164 Ų16492 Ų9277%0.76647%0.47SS*.Hα-helixtrans-74-24177.5-72.4178.6-13.700113.8D357 Q363D357-Q361 PolarHBondContact O-N 2.94Å; Q361-Q363 PolarHBondContact O-N 3.45Å; Q361-Q363 VanDerWaalsContact O-N 3.16Å
362M46.1Very low52.9Low97 Ų9794.3 Ų94.348%0.47847%0.474SS..  trans-8587.5175.5-64.6-146.3-46.100111.6F312 V364F312-M362 HydrophobicContact CD1-CE 4.32Å; F312-M362 HydrophobicContact CD2-CE 3.55Å; F312-M362 HydrophobicContact CE1-CE 4.1Å; F312-M362 HydrophobicContact CE2-CE 3.32Å; F312-M362 HydrophobicContact CE2-SD 4.48Å; F312-M362 HydrophobicContact CG-CE 4.04Å; F312-M362 HydrophobicContact CZ-CE 3.61Å; M362-V364 PolarHBondContact O-N 3.01Å
363Q44.7Very low52.1Low164 Ų16497.8 Ų97.877%0.76650%0.495SS*.THydrogen-bonded Turntrans-60.71.4179.1-74.9-179.8-24.300116.1Q361 L365Q361-Q363 PolarHBondContact O-N 3.45Å; Q361-Q363 VanDerWaalsContact O-N 3.16Å; Q363-L365 PolarHBondContact O-N 2.81Å
364V44.9Very low51.2Low130 Ų130101 Ų10179%0.78851%0.506SS*.THydrogen-bonded Turntrans-83.3-8.9-164-178.80000114.8M362M362-V364 PolarHBondContact O-N 3.01Å
365L46Very low50.3Low51 Ų5198.1 Ų98.127%0.26749%0.489SS..  trans-124.656.9-176.7-68.1168.8000113T309 Q363 H367 R372T309-L365 HydrophobicContact CG2-CD1 3.82Å; T309-L365 HydrophobicContact CG2-CD2 4.42Å; Q363-L365 PolarHBondContact O-N 2.81Å; L365-H367 VanDerWaalsContact C-N 3.27Å; L365-H367 PolarHBondContact O-N 3.12Å; L365-R372 PolarHBondContact O-NH2 2.61Å
366Q45.2Very low49.8Very low169 Ų169101.2 Ų101.279%0.7950%0.5SS*.G310 helixtrans-63-27.1179.7-74.9-173.7-17.400113.9R368Q366-R368 VanDerWaalsContact C-N 3.33Å; Q366-R368 PolarHBondContact O-N 3.14Å
367H44.5Very low49.5Very low191 Ų191104.1 Ų104.188%0.88452%0.515SS*.G310 helixtrans-77.5-7-174.6-109.5-70.8000116.1L365L365-H367 VanDerWaalsContact C-N 3.27Å; L365-H367 PolarHBondContact O-N 3.12Å
368R48.6Very low49.1Very low129 Ų129100.7 Ų100.749%0.48750%0.496SS..G310 helixtrans-135.934.5-167.3-65.4175.7176.1175.72.3113.9Y232 Q366 R372Y232-R368 VanDerWaalsContact OH-CD 3.3Å; Y232-R368 WeakPolarHBondContact OH-CD 3.27Å; Y232-R368 PolarHBondContact OH-NE 3.31Å; Y232-R368 PolarHBondContact OH-NH1 3.47Å; Q366-R368 VanDerWaalsContact C-N 3.33Å; Q366-R368 PolarHBondContact O-N 3.14Å; R368-R372 PolarHBondContact O-NE 2.65Å
369A45.2Very low48.9Very low49 Ų4998.2 Ų98.241%0.40548%0.478SS..Hα-helixtrans-72.6-32.8-178.700000114.3S371 R372 V373A369-S371 PolarHBondContact O-N 2.9Å; A369-R372 PolarHBondContact O-N 3.46Å; A369-V373 PolarHBondContact O-N 3.49Å
370R43.7Very low48.9Very low229 Ų22998.2 Ų98.286%0.86448%0.478SS*.Hα-helixtrans-66.2-40.4-172.5-70.8-179179.4169.9-0114.2K374R370-K374 WeakPolarHBondContact O-CB 3.3Å; R370-K374 PolarHBondContact O-N 2.84Å
371S46Very low49.1Very low61 Ų6199.3 Ų99.343%0.42748%0.475SS..Hα-helixtrans-72.5-27.3-179.8-55.70000113.2A369 C375A369-S371 PolarHBondContact O-N 2.9Å; S371-C375 PolarHBondContact O-N 2.87Å; S371-C375 VanDerWaalsContact O-N 3.13Å; S371-C375 PolarHBondContact O-SG 3.47Å
372R50.3Low49.3Very low82 Ų8293.2 Ų93.231%0.30945%0.447SS..Hα-helixtrans-71.4-48.8178.1-72.4-178.8-79.7167.7-1.8112L365 R368 A369 K374 C375 R376L365-R372 PolarHBondContact O-NH2 2.61Å; R368-R372 PolarHBondContact O-NE 2.65Å; A369-R372 PolarHBondContact O-N 3.46Å; R372-K374 VanDerWaalsContact C-N 3.26Å; R372-K374 PolarHBondContact O-N 3.28Å; R372-C375 PolarHBondContact O-N 2.85Å; R372-R376 WeakPolarHBondContact O-CB 3.49Å; R372-R376 PolarHBondContact O-N 2.88Å
373V50.4Low49.6Very low74 Ų7489.3 Ų89.345%0.44843%0.429SS..Hα-helixtrans-62.2-37.1175.6178.70000110.8A369 R376 N377A369-V373 PolarHBondContact O-N 3.49Å; V373-R376 PolarHBondContact O-N 3.41Å; V373-N377 WeakPolarHBondContact O-CB 3.29Å; V373-N377 VanDerWaalsContact O-CG 3.25Å; V373-N377 PolarHBondContact O-N 2.88Å; V373-N377 PolarHBondContact O-OD1 3.44Å
374K49.8Very low50Low129 Ų12986.8 Ų86.856%0.56142%0.416SS*.Hα-helixtrans-64.9-46.2177.3-162.9169.3-174.6175.40112.6P228 R370 R372 I378P228-K374 HydrophobicContact CG-CG 4.47Å; R370-K374 WeakPolarHBondContact O-CB 3.3Å; R370-K374 PolarHBondContact O-N 2.84Å; R372-K374 VanDerWaalsContact C-N 3.26Å; R372-K374 PolarHBondContact O-N 3.28Å; K374-I378 HydrophobicContact CG-CD1 3.86Å; K374-I378 WeakPolarHBondContact O-CB 3.41Å; K374-I378 WeakPolarHBondContact O-CD1 3.37Å; K374-I378 WeakPolarHBondContact O-CG1 3.46Å; K374-I378 PolarHBondContact O-N 3.28Å
375C50.2Low50.2Low12 Ų1282.7 Ų82.78%0.08140%0.396CS..Hα-helixtrans-64-42.6174.6-70.90000112.3S230 S371 R372 I378 M379S230-C375 VanDerWaalsContact CB-SG 3.57Å; S230-C375 PolarHBondContact OG-SG 3.12Å; S371-C375 PolarHBondContact O-N 2.87Å; S371-C375 VanDerWaalsContact O-N 3.13Å; S371-C375 PolarHBondContact O-SG 3.47Å; R372-C375 PolarHBondContact O-N 2.85Å; C375-I378 PolarHBondContact O-N 3.07Å; C375-M379 WeakPolarHBondContact O-CG 3.48Å; C375-M379 PolarHBondContact O-N 3.39Å
376R53.8Low50.4Low79 Ų7983.7 Ų83.730%0.29841%0.406SS..Hα-helixtrans-57.5-56.4176.4174.4-164.5172.4174.15.3111.6N356 R372 V373 I378 M379 I380N356-R376 WeakPolarHBondContact ND2-CD 3.39Å; N356-R376 PolarHBondContact ND2-NE 3.34Å; N356-R376 PolarHBondContact ND2-NH2 2.8Å; N356-R376 WeakPolarHBondContact OD1-CD 3.45Å; R372-R376 WeakPolarHBondContact O-CB 3.49Å; R372-R376 PolarHBondContact O-N 2.88Å; V373-R376 PolarHBondContact O-N 3.41Å; R376-I378 PolarHBondContact O-N 3Å; R376-M379 PolarHBondContact O-N 3.49Å; R376-I380 HydrophobicContact CG-CD1 3.8Å; R376-I380 WeakPolarHBondContact O-CG1 3.4Å; R376-I380 PolarHBondContact O-N 3.35Å
377N53.3Low50.5Low75 Ų7577.2 Ų77.240%0.40138%0.375SS..Hα-helixtrans-59.9-35-176.6-71.9-0.5000110.5V373 I380 E381V373-N377 WeakPolarHBondContact O-CB 3.29Å; V373-N377 VanDerWaalsContact O-CG 3.25Å; V373-N377 PolarHBondContact O-N 2.88Å; V373-N377 PolarHBondContact O-OD1 3.44Å; N377-I380 PolarHBondContact O-N 3.34Å; N377-E381 WeakPolarHBondContact O-CB 3.14Å; N377-E381 VanDerWaalsContact O-CG 3.26Å; N377-E381 WeakPolarHBondContact O-CG 3.44Å; N377-E381 PolarHBondContact O-N 3.48Å
378I54.6Low50.7Low29 Ų2974 Ų7415%0.14936%0.361CS..Hα-helixtrans-75.2-37.2-179.6-68.1163.7000112L227 P228 K374 C375 R376 Q382L227-I378 HydrophobicContact CD2-CG2 4.27Å; P228-I378 HydrophobicContact CB-CD1 4.37Å; P228-I378 HydrophobicContact CG-CD1 3.18Å; K374-I378 HydrophobicContact CG-CD1 3.86Å; K374-I378 WeakPolarHBondContact O-CB 3.41Å; K374-I378 WeakPolarHBondContact O-CD1 3.37Å; K374-I378 WeakPolarHBondContact O-CG1 3.46Å; K374-I378 PolarHBondContact O-N 3.28Å; C375-I378 PolarHBondContact O-N 3.07Å; R376-I378 PolarHBondContact O-N 3Å; I378-Q382 HydrophobicContact CG2-CG 4.28Å; I378-Q382 WeakPolarHBondContact O-CB 3.27Å; I378-Q382 WeakPolarHBondContact O-CG 3.46Å; I378-Q382 PolarHBondContact O-N 2.99Å
379M53Low50.8Low13 Ų1372 Ų726%0.06436%0.355CS..Hα-helixtrans-64.1-43.1171.6-71.2-173.3-63.400111.2L227 F316 F317 C375 R376 Q382 S383L227-M379 HydrophobicContact CD2-CG 3.85Å; F316-M379 HydrophobicContact CE1-CE 3.91Å; F316-M379 HydrophobicContact CZ-CE 4.18Å; F317-M379 HydrophobicContact CE1-CE 4.31Å; F317-M379 HydrophobicContact CE1-SD 4.14Å; C375-M379 WeakPolarHBondContact O-CG 3.48Å; C375-M379 PolarHBondContact O-N 3.39Å; R376-M379 PolarHBondContact O-N 3.49Å; M379-Q382 PolarHBondContact O-N 3.43Å; M379-S383 WeakPolarHBondContact O-CB 3.16Å; M379-S383 PolarHBondContact O-N 3.08Å; M379-S383 PolarHBondContact O-OG 2.86Å; M379-S383 VanDerWaalsContact O-OG 3.08Å
380I54.5Low51Low28 Ų2870.2 Ų70.214%0.14434%0.341CS..Hα-helixtrans-67.2-46.7178.3-66174.2000111.3I352 R376 N377 Q382 S383 K384I352-I380 HydrophobicContact CG2-CD1 4Å; I352-I380 HydrophobicContact CG2-CG1 4.14Å; R376-I380 HydrophobicContact CG-CD1 3.8Å; R376-I380 WeakPolarHBondContact O-CG1 3.4Å; R376-I380 PolarHBondContact O-N 3.35Å; N377-I380 PolarHBondContact O-N 3.34Å; I380-Q382 VanDerWaalsContact C-N 3.33Å; I380-Q382 PolarHBondContact O-N 2.78Å; I380-S383 PolarHBondContact O-N 3.21Å; I380-K384 HydrophobicContact CG2-CD 3.91Å; I380-K384 HydrophobicContact CG2-CG 4.34Å; I380-K384 VanDerWaalsContact O-CB 3.31Å; I380-K384 WeakPolarHBondContact O-CB 3.46Å; I380-K384 VanDerWaalsContact O-CG 3.26Å; I380-K384 WeakPolarHBondContact O-CG 3.17Å; I380-K384 PolarHBondContact O-N 3.11Å
381E55.1Low51.2Low130 Ų13064.5 Ų64.561%0.60732%0.324SS*.Hα-helixtrans-63.2-38.4176.8-79.1-174.9161.200111.6N377 A385N377-E381 WeakPolarHBondContact O-CB 3.14Å; N377-E381 VanDerWaalsContact O-CG 3.26Å; N377-E381 WeakPolarHBondContact O-CG 3.44Å; N377-E381 PolarHBondContact O-N 3.48Å; E381-A385 WeakPolarHBondContact O-CB 3.42Å; E381-A385 PolarHBondContact O-N 3.36Å
382Q54.8Low51.6Low36 Ų3663.6 Ų63.617%0.16831%0.313CS..Hα-helixtrans-67.8-45.6176.1-75.8175.8-300111.6R226 W264 I378 M379 I380 K384 A385 C386R226-Q382 PolarHBondContact O-NE2 3.07Å; W264-Q382 HydrophobicContact CH2-CB 4.38Å; W264-Q382 HydrophobicContact CZ2-CB 4.48Å; I378-Q382 HydrophobicContact CG2-CG 4.28Å; I378-Q382 WeakPolarHBondContact O-CB 3.27Å; I378-Q382 WeakPolarHBondContact O-CG 3.46Å; I378-Q382 PolarHBondContact O-N 2.99Å; M379-Q382 PolarHBondContact O-N 3.43Å; I380-Q382 VanDerWaalsContact C-N 3.33Å; I380-Q382 PolarHBondContact O-N 2.78Å; Q382-K384 VanDerWaalsContact C-N 3.33Å; Q382-K384 PolarHBondContact O-N 2.86Å; Q382-A385 PolarHBondContact O-N 2.77Å; Q382-C386 WeakPolarHBondContact O-CB 3.24Å; Q382-C386 PolarHBondContact O-N 2.96Å; Q382-C386 PolarHBondContact O-SG 3.01Å; Q382-C386 VanDerWaalsContact O-SG 3.34Å
383S53.2Low51.8Low15 Ų1560.6 Ų60.611%0.10530%0.303CS..Hα-helixtrans-62.1-40.3175.3-65.10000112.1F348 M379 I380 F387F348-S383 VanDerWaalsContact CE1-OG 3.29Å; F348-S383 WeakPolarHBondContact CE1-OG 2.89Å; M379-S383 WeakPolarHBondContact O-CB 3.16Å; M379-S383 PolarHBondContact O-N 3.08Å; M379-S383 PolarHBondContact O-OG 2.86Å; M379-S383 VanDerWaalsContact O-OG 3.08Å; I380-S383 PolarHBondContact O-N 3.21Å; S383-F387 PolarHBondContact O-N 3.36Å
384K52.3Low52.1Low111 Ų11159 Ų5948%0.48329%0.292SS..Hα-helixtrans-67.5-43175.6-74.9179.6178.3-174.80112.4I380 Q382 C386 F387 E388I380-K384 HydrophobicContact CG2-CD 3.91Å; I380-K384 HydrophobicContact CG2-CG 4.34Å; I380-K384 VanDerWaalsContact O-CB 3.31Å; I380-K384 WeakPolarHBondContact O-CB 3.46Å; I380-K384 VanDerWaalsContact O-CG 3.26Å; I380-K384 WeakPolarHBondContact O-CG 3.17Å; I380-K384 PolarHBondContact O-N 3.11Å; Q382-K384 VanDerWaalsContact C-N 3.33Å; Q382-K384 PolarHBondContact O-N 2.86Å; K384-C386 VanDerWaalsContact C-N 3.32Å; K384-C386 PolarHBondContact O-N 2.89Å; K384-F387 CarbonylContact O-C 3.6Å; K384-F387 WeakPolarHBondContact O-CA 3.14Å; K384-F387 WeakPolarHBondContact O-CB 3.41Å; K384-F387 PolarHBondContact O-N 3.19Å; K384-E388 PolarHBondContact O-N 3.39Å
385A50.5Low52.8Low45 Ų4553 Ų5337%0.37227%0.267SS..Hα-helixtrans-67.2-30.8177.300000113E381 Q382E381-A385 WeakPolarHBondContact O-CB 3.42Å; E381-A385 PolarHBondContact O-N 3.36Å; Q382-A385 PolarHBondContact O-N 2.77Å
386C49Very low53.8Low71 Ų7153 Ų5348%0.4827%0.265SS..Hα-helixtrans-64.9-29.9167.8-75.10000112Q382 K384Q382-C386 WeakPolarHBondContact O-CB 3.24Å; Q382-C386 PolarHBondContact O-N 2.96Å; Q382-C386 PolarHBondContact O-SG 3.01Å; Q382-C386 VanDerWaalsContact O-SG 3.34Å; K384-C386 VanDerWaalsContact C-N 3.32Å; K384-C386 PolarHBondContact O-N 2.89Å
387F47.6Very low54.7Low33 Ų3351.3 Ų51.315%0.14526%0.261CS..Hα-helixtrans-91.3-35.1-176.3-168.3-93.7000114.3T341 K342 L345 S383 K384 K389 A390 Q391T341-F387 HydrophobicContact CG2-CE2 4.28Å; K342-F387 HydrophobicContact CB-CZ 4.48Å; K342-F387 HydrophobicContact CG-CZ 4.49Å; L345-F387 HydrophobicContact CB-CD2 4.25Å; L345-F387 HydrophobicContact CB-CE2 4.1Å; L345-F387 HydrophobicContact CD1-CB 4.3Å; L345-F387 HydrophobicContact CD1-CD2 4.16Å; L345-F387 HydrophobicContact CD1-CG 4.28Å; L345-F387 HydrophobicContact CD2-CB 4.25Å; L345-F387 HydrophobicContact CD2-CD1 3.58Å; L345-F387 HydrophobicContact CD2-CD2 3.64Å; L345-F387 HydrophobicContact CD2-CE1 3.69Å; L345-F387 HydrophobicContact CD2-CE2 3.75Å; L345-F387 HydrophobicContact CD2-CG 3.54Å; L345-F387 HydrophobicContact CD2-CZ 3.77Å; L345-F387 HydrophobicContact CG-CD2 4.22Å; L345-F387 HydrophobicContact CG-CE2 4.42Å; L345-F387 HydrophobicContact CG-CG 4.43Å; S383-F387 PolarHBondContact O-N 3.36Å; K384-F387 CarbonylContact O-C 3.6Å; K384-F387 WeakPolarHBondContact O-CA 3.14Å; K384-F387 WeakPolarHBondContact O-CB 3.41Å; K384-F387 PolarHBondContact O-N 3.19Å; F387-K389 PolarHBondContact O-N 3.23Å; F387-A390 WeakPolarHBondContact O-CA 3.3Å; F387-A390 VanDerWaalsContact O-CB 3.29Å; F387-A390 WeakPolarHBondContact O-CB 3.49Å; F387-A390 PolarHBondContact O-N 2.76Å; F387-Q391 PolarHBondContact O-N 3.26Å
388E48Very low55.8Low123 Ų12347.7 Ų47.758%0.57524%0.241SC*.Hα-helixtrans-57-30.7172.6-79.2174.7178.200111.3K384 Q391K384-E388 PolarHBondContact O-N 3.39Å; E388-Q391 WeakPolarHBondContact O-CB 3.48Å; E388-Q391 WeakPolarHBondContact O-CG 3.43Å; E388-Q391 PolarHBondContact O-N 3.2Å
389K50.7Low56.9Low87 Ų8746.8 Ų46.838%0.37824%0.237SC..THydrogen-bonded Turntrans-80.4-25.3174.3-69174.1179170.40113.6F220 F387 Q391 Q392F220-K389 PolarHBondContact O-NZ 3.44Å; F387-K389 PolarHBondContact O-N 3.23Å; K389-Q391 PolarHBondContact O-N 3.46Å; K389-Q392 PolarHBondContact O-N 3.48Å
390A49.8Very low57.9Low13 Ų1347.5 Ų47.511%0.10724%0.241CC..THydrogen-bonded Turntrans-65.7-16166.100000112.1F387 Q392 L393 N394F387-A390 WeakPolarHBondContact O-CA 3.3Å; F387-A390 VanDerWaalsContact O-CB 3.29Å; F387-A390 WeakPolarHBondContact O-CB 3.49Å; F387-A390 PolarHBondContact O-N 2.76Å; A390-Q392 VanDerWaalsContact C-N 3.25Å; A390-Q392 PolarHBondContact O-N 3.45Å; A390-L393 PolarHBondContact O-N 3.47Å; A390-L393 VanDerWaalsContact O-N 3.1Å; A390-N394 PolarHBondContact O-N 3Å; A390-N394 PolarHBondContact O-OD1 3.18Å
391Q47.8Very low58.6Low108 Ų10846.9 Ų46.951%0.50524%0.239SC..Hα-helixtrans-64.3-27.2172.4-64.3179.1-34.400113.4F387 E388 K389 L393 N394 S395F387-Q391 PolarHBondContact O-N 3.26Å; E388-Q391 WeakPolarHBondContact O-CB 3.48Å; E388-Q391 WeakPolarHBondContact O-CG 3.43Å; E388-Q391 PolarHBondContact O-N 3.2Å; K389-Q391 PolarHBondContact O-N 3.46Å; Q391-L393 PolarHBondContact O-N 3.5Å; Q391-N394 PolarHBondContact O-N 2.85Å; Q391-S395 PolarHBondContact O-N 3.34Å
392Q54.7Low59.5Low42 Ų4245.1 Ų45.120%0.19623%0.234CC..Hα-helixtrans-66-16.3173.5-66.7-176.9-25.600113.2K389 A390 S395 Y422K389-Q392 PolarHBondContact O-N 3.48Å; A390-Q392 VanDerWaalsContact C-N 3.25Å; A390-Q392 PolarHBondContact O-N 3.45Å; Q392-S395 PolarHBondContact O-OG 3.08Å; Q392-Y422 HydrophobicContact CG-CD2 4.46Å; Q392-Y422 HydrophobicContact CG-CE1 4.24Å; Q392-Y422 HydrophobicContact CG-CE2 3.98Å
393L54.2Low60.4Low19 Ų1944.7 Ų44.710%0.09923%0.232CC..Hα-helixtrans-108.1-26.8176.8-71.6154.5000111A390 Q391 S395 F396 N477 M479A390-L393 PolarHBondContact O-N 3.47Å; A390-L393 VanDerWaalsContact O-N 3.1Å; Q391-L393 PolarHBondContact O-N 3.5Å; L393-S395 PolarHBondContact O-N 2.98Å; L393-F396 PolarHBondContact O-N 3.17Å; L393-N477 HydrophobicContact CD2-CB 4.16Å; L393-M479 HydrophobicContact CB-CE 4.08Å; L393-M479 HydrophobicContact CB-SD 3.5Å; L393-M479 WeakPolarHBondContact CB-SD 3.38Å; L393-M479 HydrophobicContact CD1-CB 4.25Å; L393-M479 HydrophobicContact CD1-CE 4.1Å; L393-M479 HydrophobicContact CD1-CG 4.01Å; L393-M479 HydrophobicContact CD1-SD 3.15Å; L393-M479 WeakPolarHBondContact CD1-SD 3.43Å; L393-M479 HydrophobicContact CD2-SD 3.9Å; L393-M479 HydrophobicContact CG-SD 3.64Å
394N58.1Low61.7Low41 Ų4144.4 Ų44.422%0.21923%0.229CC..Hα-helixtrans-59.5-24161.8-62.6-19000111.9A390 Q391 F396 E397A390-N394 PolarHBondContact O-N 3Å; A390-N394 PolarHBondContact O-OD1 3.18Å; Q391-N394 PolarHBondContact O-N 2.85Å; N394-F396 PolarHBondContact O-N 2.94Å; N394-E397 WeakPolarHBondContact O-CB 3.41Å; N394-E397 PolarHBondContact O-N 2.97Å; N394-E397 VanDerWaalsContact O-N 3.11Å
395S63.6Low62.9Low3 Ų342.5 Ų42.52%0.02123%0.23CC..THydrogen-bonded Turntrans-64.4-21.3172.964.40000112.7Q391 Q392 L393 F398 Q415Q391-S395 PolarHBondContact O-N 3.34Å; Q392-S395 PolarHBondContact O-OG 3.08Å; L393-S395 PolarHBondContact O-N 2.98Å; S395-F398 WeakPolarHBondContact O-CD1 3.24Å; S395-F398 WeakPolarHBondContact O-CE1 3.36Å; S395-Q415 CarbonylContact O-C 3.55Å
396F72.3Confident64.3Low11 Ų1144.7 Ų44.75%0.04824%0.235CC..THydrogen-bonded Turntrans-96.79.8173.7-67.3-77.4000113.7L393 N394 F398 I399 A419 F423 I426 I473 A474L393-F396 PolarHBondContact O-N 3.17Å; N394-F396 PolarHBondContact O-N 2.94Å; F396-F398 HydrophobicContact CD1-CE1 4.08Å; F396-F398 AromaticContact CD1-CZ 3.78Å; F396-F398 HydrophobicContact CD1-CZ 3.78Å; F396-F398 HydrophobicContact CE1-CZ 4.3Å; F396-F398 PolarHBondContact O-N 3.19Å; F396-F398 VanDerWaalsContact O-N 3.08Å; F396-I399 HydrophobicContact CB-CD1 4.43Å; F396-I399 HydrophobicContact CD1-CD1 3.87Å; F396-I399 WeakPolarHBondContact O-CB 3.38Å; F396-I399 PolarHBondContact O-N 3.45Å; F396-A419 HydrophobicContact CD1-CB 4.43Å; F396-A419 HydrophobicContact CE1-CB 4.1Å; F396-A419 HydrophobicContact CZ-CB 4.22Å; F396-F423 AromaticContact CE2-CD2 3.93Å; F396-F423 HydrophobicContact CE2-CD2 3.93Å; F396-F423 AromaticContact CE2-CE2 3.51Å; F396-F423 HydrophobicContact CE2-CE2 3.51Å; F396-F423 HydrophobicContact CE2-CZ 4.36Å; F396-F423 AromaticContact CZ-CD2 3.53Å; F396-F423 HydrophobicContact CZ-CD2 3.53Å; F396-F423 AromaticContact CZ-CE2 3.6Å; F396-F423 HydrophobicContact CZ-CE2 3.6Å; F396-F423 HydrophobicContact CZ-CG 4.42Å; F396-I426 HydrophobicContact CE1-CD1 4.14Å; F396-I426 HydrophobicContact CZ-CD1 4.4Å; F396-I473 HydrophobicContact CE1-CG2 4.36Å; F396-I473 HydrophobicContact CE2-CG2 4.06Å; F396-I473 HydrophobicContact CZ-CB 4.27Å; F396-I473 HydrophobicContact CZ-CG2 3.58Å; F396-A474 HydrophobicContact CB-CB 3.95Å; F396-A474 HydrophobicContact CD1-CB 4.23Å; F396-A474 HydrophobicContact CD2-CB 4.24Å; F396-A474 HydrophobicContact CG-CB 3.89Å
397E72.3Confident66Low44 Ų4442.2 Ų42.221%0.20622%0.216CC..G310 helixtrans-58.5-23.1176.3-172.6171.4-147.900112N394 I399 N400 L403 F407N394-E397 WeakPolarHBondContact O-CB 3.41Å; N394-E397 PolarHBondContact O-N 2.97Å; N394-E397 VanDerWaalsContact O-N 3.11Å; E397-I399 PolarHBondContact O-N 2.81Å; E397-I399 VanDerWaalsContact O-N 3.08Å; E397-N400 WeakPolarHBondContact O-CB 3.38Å; E397-N400 PolarHBondContact O-N 2.89Å; E397-L403 HydrophobicContact CG-CD1 3.42Å; E397-L403 VanDerWaalsContact CG-CD1 3.42Å; E397-F407 HydrophobicContact CG-CZ 4.41Å; E397-F407 WeakPolarHBondContact O-CE2 3.46Å
398F76.2Confident67.6Low0 Ų044.5 Ų44.50%023%0.23CC..G310 helixtrans-60.9-13.617370.4-110.1000114.1S395 F396 P412 Q415 M416 A419 L431 L435 Y439S395-F398 WeakPolarHBondContact O-CD1 3.24Å; S395-F398 WeakPolarHBondContact O-CE1 3.36Å; F396-F398 HydrophobicContact CD1-CE1 4.08Å; F396-F398 AromaticContact CD1-CZ 3.78Å; F396-F398 HydrophobicContact CD1-CZ 3.78Å; F396-F398 HydrophobicContact CE1-CZ 4.3Å; F396-F398 PolarHBondContact O-N 3.19Å; F396-F398 VanDerWaalsContact O-N 3.08Å; F398-P412 HydrophobicContact CB-CB 4.25Å; F398-P412 HydrophobicContact CB-CG 3.54Å; F398-Q415 HydrophobicContact CD1-CB 4.34Å; F398-M416 HydrophobicContact CD1-CB 4.39Å; F398-M416 HydrophobicContact CE1-CB 4.49Å; F398-A419 HydrophobicContact CE1-CB 3.79Å; F398-A419 HydrophobicContact CZ-CB 4.36Å; F398-L431 HydrophobicContact CE2-CD1 4.29Å; F398-L431 HydrophobicContact CE2-CD2 4.09Å; F398-L431 HydrophobicContact CZ-CD2 3.91Å; F398-L435 HydrophobicContact CD2-CD1 3.43Å; F398-L435 VanDerWaalsContact CD2-CD1 3.43Å; F398-L435 HydrophobicContact CD2-CD2 3.86Å; F398-L435 HydrophobicContact CD2-CG 4.3Å; F398-L435 HydrophobicContact CE2-CD1 3.77Å; F398-L435 HydrophobicContact CE2-CD2 4.26Å; F398-L435 HydrophobicContact CG-CD1 4.17Å; F398-Y439 WeakPolarHBondContact CB-OH 3.49Å; F398-Y439 WeakPolarHBondContact O-CE1 3.3Å; F398-Y439 PolarHBondContact O-OH 3.12Å
399I76.5Confident69.2Low10 Ų1044.5 Ų44.55%0.05124%0.239CC..G310 helixtrans-95.2-6.2177.1-52.7-178000111.4F396 E397 P401 P451 T471F396-I399 HydrophobicContact CB-CD1 4.43Å; F396-I399 HydrophobicContact CD1-CD1 3.87Å; F396-I399 WeakPolarHBondContact O-CB 3.38Å; F396-I399 PolarHBondContact O-N 3.45Å; E397-I399 PolarHBondContact O-N 2.81Å; E397-I399 VanDerWaalsContact O-N 3.08Å; I399-P401 VanDerWaalsContact O-CD 3.24Å; I399-P401 WeakPolarHBondContact O-CD 3.41Å; I399-P451 HydrophobicContact CG2-CB 4.45Å; I399-P451 HydrophobicContact CG2-CG 3.69Å; I399-P451 WeakPolarHBondContact O-CG 3.44Å; I399-T471 HydrophobicContact CG2-CG2 4Å; I399-T471 WeakPolarHBondContact CG2-OG1 3.25Å
400N74.6Confident70.9Confident27 Ų2744.7 Ų44.714%0.14425%0.25CS..  trans-73114.8-178.8-1747.4000111.2E397 D402 L403 F404E397-N400 WeakPolarHBondContact O-CB 3.38Å; E397-N400 PolarHBondContact O-N 2.89Å; N400-D402 PolarHBondContact O-N 3.28Å; N400-D402 PolarHBondContact OD1-N 3.48Å; N400-L403 HydrophobicContact CB-CD1 4.17Å; N400-L403 HydrophobicContact CB-CG 4.4Å; N400-L403 PolarHBondContact O-N 3.18Å; N400-F404 VanDerWaalsContact C-CE1 3.49Å; N400-F404 WeakPolarHBondContact O-CD1 3.39Å; N400-F404 VanDerWaalsContact O-CE1 3.25Å; N400-F404 WeakPolarHBondContact O-CE1 3.12Å
401P70.6Confident72.6Confident16 Ų1646.1 Ų46.110%0.10425%0.254CS..G310 helixtrans-60.7-30.7-178.6-20.732.4000113.5I399 L403 F404 L447 P451I399-P401 VanDerWaalsContact O-CD 3.24Å; I399-P401 WeakPolarHBondContact O-CD 3.41Å; P401-L403 PolarHBondContact O-N 3.05Å; P401-F404 HydrophobicContact CB-CD2 4.45Å; P401-F404 HydrophobicContact CB-CE2 4.31Å; P401-F404 HydrophobicContact CB-CZ 4.47Å; P401-F404 HydrophobicContact CG-CZ 4.48Å; P401-F404 PolarHBondContact O-N 3.38Å; P401-F404 VanDerWaalsContact O-N 3.17Å; P401-L447 HydrophobicContact CB-CB 3.79Å; P401-L447 WeakPolarHBondContact CB-O 3.42Å; P401-L447 HydrophobicContact CG-CB 3.97Å; P401-P451 HydrophobicContact CG-CG 4.07Å
402D72.5Confident74.4Confident93 Ų9341.3 Ų41.350%0.49723%0.232SC..G310 helixtrans-58.5-21.3177.9-67.3-21.8000112.7N337 N400N337-D402 PolarHBondContact ND2-OD2 3.42Å; N400-D402 PolarHBondContact O-N 3.28Å; N400-D402 PolarHBondContact OD1-N 3.48Å
403L74.9Confident75.8Confident27 Ų2742 Ų4214%0.14124%0.235CC..G310 helixtrans-1103-174.8-61.6174.7000113E397 N400 P401 S405 D406 F407E397-L403 HydrophobicContact CG-CD1 3.42Å; E397-L403 VanDerWaalsContact CG-CD1 3.42Å; N400-L403 HydrophobicContact CB-CD1 4.17Å; N400-L403 HydrophobicContact CB-CG 4.4Å; N400-L403 PolarHBondContact O-N 3.18Å; P401-L403 PolarHBondContact O-N 3.05Å; L403-S405 VanDerWaalsContact C-N 3.31Å; L403-S405 PolarHBondContact O-N 3.21Å; L403-D406 PolarHBondContact O-N 2.88Å; L403-D406 VanDerWaalsContact O-N 3.12Å; L403-F407 HydrophobicContact CB-CD2 3.87Å; L403-F407 HydrophobicContact CB-CE1 4.32Å; L403-F407 HydrophobicContact CB-CE2 3.3Å; L403-F407 HydrophobicContact CB-CZ 3.57Å; L403-F407 HydrophobicContact CD1-CE2 4.12Å; L403-F407 HydrophobicContact CD1-CZ 3.74Å; L403-F407 HydrophobicContact CG-CE2 4.36Å; L403-F407 HydrophobicContact CG-CZ 4.3Å; L403-F407 WeakPolarHBondContact O-CD2 3.18Å; L403-F407 VanDerWaalsContact O-CG 3.25Å; L403-F407 WeakPolarHBondContact O-CG 3.41Å; L403-F407 PolarHBondContact O-N 3.19Å
404F80.6Confident77.2Confident8 Ų849.3 Ų49.34%0.03527%0.266CS..Hα-helixtrans-62.9-36.7-176.3-75.14.2000112.7N400 P401 D406 F407 N408 M438 Y439 F444 P451N400-F404 VanDerWaalsContact C-CE1 3.49Å; N400-F404 WeakPolarHBondContact O-CD1 3.39Å; N400-F404 VanDerWaalsContact O-CE1 3.25Å; N400-F404 WeakPolarHBondContact O-CE1 3.12Å; P401-F404 HydrophobicContact CB-CD2 4.45Å; P401-F404 HydrophobicContact CB-CE2 4.31Å; P401-F404 HydrophobicContact CB-CZ 4.47Å; P401-F404 HydrophobicContact CG-CZ 4.48Å; P401-F404 PolarHBondContact O-N 3.38Å; P401-F404 VanDerWaalsContact O-N 3.17Å; F404-D406 VanDerWaalsContact C-N 3.31Å; F404-D406 PolarHBondContact O-N 3.45Å; F404-F407 HydrophobicContact CD1-CD2 4.36Å; F404-F407 PolarHBondContact O-N 2.99Å; F404-N408 PolarHBondContact O-N 3.49Å; F404-M438 HydrophobicContact CD2-CG 4.4Å; F404-M438 HydrophobicContact CE2-CG 3.73Å; F404-M438 HydrophobicContact CE2-SD 3.88Å; F404-M438 HydrophobicContact CZ-CG 4.2Å; F404-M438 HydrophobicContact CZ-SD 3.84Å; F404-Y439 HydrophobicContact CB-CD1 4.14Å; F404-Y439 AromaticContact CD1-CD1 3.65Å; F404-Y439 HydrophobicContact CD1-CD1 3.65Å; F404-Y439 AromaticContact CD1-CE1 3.53Å; F404-Y439 HydrophobicContact CD1-CE1 3.53Å; F404-Y439 HydrophobicContact CD2-CD1 4.33Å; F404-Y439 HydrophobicContact CE1-CD1 4.1Å; F404-Y439 AromaticContact CE1-CE1 3.64Å; F404-Y439 HydrophobicContact CE1-CE1 3.64Å; F404-Y439 AromaticContact CG-CD1 3.79Å; F404-Y439 HydrophobicContact CG-CD1 3.79Å; F404-Y439 HydrophobicContact CG-CE1 4.16Å; F404-Y439 HydrophobicContact CZ-CE1 4.34Å; F404-F444 HydrophobicContact CD2-CB 4.01Å; F404-F444 HydrophobicContact CE2-CB 4.05Å; F404-P451 HydrophobicContact CZ-CG 4.34Å
405S76.8Confident78.2Confident71 Ų7150.1 Ų50.150%0.49727%0.268SS..Hα-helixtrans-60.7-41.6174.357.40000112L403L403-S405 VanDerWaalsContact C-N 3.31Å; L403-S405 PolarHBondContact O-N 3.21Å
406D80.3Confident79.2Confident91 Ų9150 Ų5049%0.48727%0.267SS..Hα-helixtrans-70.1-41.8179.6-65.5-13.1000109.9L403 F404 N408 T409 C410L403-D406 PolarHBondContact O-N 2.88Å; L403-D406 VanDerWaalsContact O-N 3.12Å; F404-D406 VanDerWaalsContact C-N 3.31Å; F404-D406 PolarHBondContact O-N 3.45Å; D406-N408 VanDerWaalsContact C-N 3.33Å; D406-N408 PolarHBondContact O-N 2.89Å; D406-T409 PolarHBondContact O-N 3.31Å; D406-T409 VanDerWaalsContact O-N 3.14Å; D406-T409 PolarHBondContact O-OG1 3.13Å; D406-C410 PolarHBondContact O-N 3.24Å
407F83.4Confident79.8Confident19 Ų1951.2 Ų51.28%0.08328%0.275CS..Hα-helixtrans-70.4-25.7179.7-62.5-33.6000114.5E397 L403 F404 T409 C410 F411 P412 Y439E397-F407 HydrophobicContact CG-CZ 4.41Å; E397-F407 WeakPolarHBondContact O-CE2 3.46Å; L403-F407 HydrophobicContact CB-CD2 3.87Å; L403-F407 HydrophobicContact CB-CE1 4.32Å; L403-F407 HydrophobicContact CB-CE2 3.3Å; L403-F407 HydrophobicContact CB-CZ 3.57Å; L403-F407 HydrophobicContact CD1-CE2 4.12Å; L403-F407 HydrophobicContact CD1-CZ 3.74Å; L403-F407 HydrophobicContact CG-CE2 4.36Å; L403-F407 HydrophobicContact CG-CZ 4.3Å; L403-F407 WeakPolarHBondContact O-CD2 3.18Å; L403-F407 VanDerWaalsContact O-CG 3.25Å; L403-F407 WeakPolarHBondContact O-CG 3.41Å; L403-F407 PolarHBondContact O-N 3.19Å; F404-F407 HydrophobicContact CD1-CD2 4.36Å; F404-F407 PolarHBondContact O-N 2.99Å; F407-T409 VanDerWaalsContact C-N 3.26Å; F407-T409 PolarHBondContact O-N 3.12Å; F407-C410 WeakPolarHBondContact CA-O 3.45Å; F407-C410 CarbonylContact O-C 3.5Å; F407-C410 PolarHBondContact O-N 2.99Å; F407-F411 PolarHBondContact O-N 3.22Å; F407-P412 HydrophobicContact CB-CG 4.41Å; F407-P412 HydrophobicContact CD1-CB 3.87Å; F407-P412 HydrophobicContact CD1-CG 3.67Å; F407-P412 HydrophobicContact CD2-CG 4.23Å; F407-P412 HydrophobicContact CE1-CB 3.75Å; F407-P412 HydrophobicContact CE1-CG 3.92Å; F407-P412 HydrophobicContact CE2-CG 4.45Å; F407-P412 HydrophobicContact CG-CG 3.85Å; F407-P412 HydrophobicContact CZ-CB 4.32Å; F407-P412 HydrophobicContact CZ-CG 4.3Å; F407-Y439 HydrophobicContact CB-CD1 4.29Å; F407-Y439 HydrophobicContact CB-CD2 3.73Å; F407-Y439 HydrophobicContact CB-CE1 4.24Å; F407-Y439 HydrophobicContact CB-CE2 3.66Å; F407-Y439 HydrophobicContact CB-CG 4.06Å; F407-Y439 HydrophobicContact CD2-CE1 4.1Å; F407-Y439 AromaticContact CD2-CZ 3.99Å; F407-Y439 HydrophobicContact CG-CE2 4.41Å
408N81.4Confident80.1Confident81 Ų8151.5 Ų51.543%0.43328%0.279SS..Hα-helixtrans-62.1-38.1170.2-167.510.8000111F404 D406 Y439F404-N408 PolarHBondContact O-N 3.49Å; D406-N408 VanDerWaalsContact C-N 3.33Å; D406-N408 PolarHBondContact O-N 2.89Å; N408-Y439 PolarHBondContact ND2-O 3.08Å
409T83Confident80.2Confident124 Ų12451.5 Ų51.576%0.76128%0.279SS*.Hα-helixtrans-82.5-32.3176.869.20000113.5D406 F407D406-T409 PolarHBondContact O-N 3.31Å; D406-T409 VanDerWaalsContact O-N 3.14Å; D406-T409 PolarHBondContact O-OG1 3.13Å; F407-T409 VanDerWaalsContact C-N 3.26Å; F407-T409 PolarHBondContact O-N 3.12Å
410C85.6Confident80.5Confident91 Ų9151.9 Ų51.962%0.61528%0.283SS*.SBendtrans-141.697-176.8-172.90000110.8D406 F407D406-C410 PolarHBondContact O-N 3.24Å; F407-C410 WeakPolarHBondContact CA-O 3.45Å; F407-C410 CarbonylContact O-C 3.5Å; F407-C410 PolarHBondContact O-N 2.99Å
411F85.9Confident80.9Confident43 Ų4357.8 Ų57.819%0.18931%0.31CS..  trans-63.4130.7-175.6-170.7-92.6000112.3F407 Q413 M416 K432 L435 M436 Y439F407-F411 PolarHBondContact O-N 3.22Å; F411-Q413 HydrophobicContact CD1-CB 4.22Å; F411-Q413 PolarHBondContact O-N 2.92Å; F411-M416 HydrophobicContact CE1-CE 4.11Å; F411-M416 HydrophobicContact CE1-SD 3.9Å; F411-M416 HydrophobicContact CZ-SD 3.91Å; F411-K432 HydrophobicContact CE1-CD 4.46Å; F411-K432 HydrophobicContact CE1-CG 4.18Å; F411-K432 HydrophobicContact CE2-CG 4.47Å; F411-K432 HydrophobicContact CZ-CB 4.44Å; F411-K432 HydrophobicContact CZ-CG 3.87Å; F411-L435 HydrophobicContact CE2-CB 4.01Å; F411-L435 HydrophobicContact CZ-CB 4.32Å; F411-L435 HydrophobicContact CZ-CD1 4.24Å; F411-M436 HydrophobicContact CD2-CG 4.26Å; F411-M436 HydrophobicContact CD2-SD 3.33Å; F411-M436 WeakPolarHBondContact CD2-SD 3.49Å; F411-M436 HydrophobicContact CE2-CG 4.05Å; F411-M436 HydrophobicContact CE2-SD 3.73Å; F411-M436 HydrophobicContact CG-SD 4.17Å; F411-Y439 HydrophobicContact CD2-CD2 4.08Å; F411-Y439 AromaticContact CD2-CE2 3.76Å; F411-Y439 HydrophobicContact CD2-CE2 3.76Å; F411-Y439 HydrophobicContact CE2-CD2 4.18Å; F411-Y439 AromaticContact CE2-CE2 3.61Å; F411-Y439 HydrophobicContact CE2-CE2 3.61Å
412P85.3Confident81.1Confident6 Ų661 Ų614%0.03932%0.32CS..  trans-78.263.8-176.133-36.6000112.6F398 F407 K414 Q415 M416 Y439F398-P412 HydrophobicContact CB-CB 4.25Å; F398-P412 HydrophobicContact CB-CG 3.54Å; F407-P412 HydrophobicContact CB-CG 4.41Å; F407-P412 HydrophobicContact CD1-CB 3.87Å; F407-P412 HydrophobicContact CD1-CG 3.67Å; F407-P412 HydrophobicContact CD2-CG 4.23Å; F407-P412 HydrophobicContact CE1-CB 3.75Å; F407-P412 HydrophobicContact CE1-CG 3.92Å; F407-P412 HydrophobicContact CE2-CG 4.45Å; F407-P412 HydrophobicContact CG-CG 3.85Å; F407-P412 HydrophobicContact CZ-CB 4.32Å; F407-P412 HydrophobicContact CZ-CG 4.3Å; P412-K414 VanDerWaalsContact C-N 3.34Å; P412-K414 PolarHBondContact O-N 3.43Å; P412-Q415 HydrophobicContact CB-CB 4.35Å; P412-Q415 PolarHBondContact O-N 3.27Å; P412-M416 PolarHBondContact O-N 3.12Å; P412-M416 VanDerWaalsContact O-N 3.14Å; P412-Y439 HydrophobicContact CG-CE2 4.46Å
413Q85.1Confident81.4Confident58 Ų5856.9 Ų56.927%0.27130%0.298SS..Hα-helixtrans-60.5-40.6-174.9-172.76651.500112.4F411 D417F411-Q413 HydrophobicContact CD1-CB 4.22Å; F411-Q413 PolarHBondContact O-N 2.92Å; Q413-D417 PolarHBondContact NE2-OD1 3.12Å; Q413-D417 PolarHBondContact NE2-OD2 2.81Å; Q413-D417 WeakPolarHBondContact O-CB 3.45Å; Q413-D417 PolarHBondContact O-N 3.15Å
414K83.1Confident81.6Confident172 Ų17260 Ų6075%0.74832%0.32SS*.Hα-helixtrans-66-43.2-178.6-68.1-178.6179.5178.10112.3P412 D417 T418P412-K414 VanDerWaalsContact C-N 3.34Å; P412-K414 PolarHBondContact O-N 3.43Å; K414-D417 PolarHBondContact O-N 2.62Å; K414-T418 WeakPolarHBondContact O-CB 3.49Å; K414-T418 PolarHBondContact O-N 3.27Å; K414-T418 PolarHBondContact O-OG1 3.46Å
415Q78.2Confident81.7Confident57 Ų5762 Ų6227%0.26633%0.33SS..Hα-helixtrans-65.7-45.2179.4-66.790.8-33.100110.7S395 F398 P412 T418 A419S395-Q415 CarbonylContact O-C 3.55Å; F398-Q415 HydrophobicContact CD1-CB 4.34Å; P412-Q415 HydrophobicContact CB-CB 4.35Å; P412-Q415 PolarHBondContact O-N 3.27Å; Q415-T418 PolarHBondContact O-N 3.22Å; Q415-A419 PolarHBondContact O-N 3.43Å
416M84.7Confident82Confident0 Ų059 Ų590%031%0.308CS..Hα-helixtrans-61.2-45.9176.3-173-168.467.900111.8F398 F411 P412 T418 A419 C420 K428 L431 K432F398-M416 HydrophobicContact CD1-CB 4.39Å; F398-M416 HydrophobicContact CE1-CB 4.49Å; F411-M416 HydrophobicContact CE1-CE 4.11Å; F411-M416 HydrophobicContact CE1-SD 3.9Å; F411-M416 HydrophobicContact CZ-SD 3.91Å; P412-M416 PolarHBondContact O-N 3.12Å; P412-M416 VanDerWaalsContact O-N 3.14Å; M416-T418 VanDerWaalsContact C-N 3.34Å; M416-T418 PolarHBondContact O-N 3.39Å; M416-A419 PolarHBondContact O-N 3.2Å; M416-C420 PolarHBondContact O-N 2.89Å; M416-C420 PolarHBondContact O-SG 3.36Å; M416-K428 HydrophobicContact CE-CD 4.48Å; M416-K428 HydrophobicContact CE-CG 3.93Å; M416-L431 HydrophobicContact CG-CD2 3.86Å; M416-L431 HydrophobicContact SD-CD2 4.4Å; M416-L431 HydrophobicContact SD-CG 4.46Å; M416-K432 HydrophobicContact CE-CB 4.28Å; M416-K432 HydrophobicContact CE-CD 4.37Å; M416-K432 HydrophobicContact SD-CB 3.92Å
417D84.1Confident82.4Confident37 Ų3757.5 Ų57.520%0.19830%0.304CS..Hα-helixtrans-61.7-44179.4-69.9-18.1000111.4Q413 K414 A419 C420 E421 K428Q413-D417 PolarHBondContact NE2-OD1 3.12Å; Q413-D417 PolarHBondContact NE2-OD2 2.81Å; Q413-D417 WeakPolarHBondContact O-CB 3.45Å; Q413-D417 PolarHBondContact O-N 3.15Å; K414-D417 PolarHBondContact O-N 2.62Å; D417-A419 VanDerWaalsContact C-N 3.33Å; D417-A419 PolarHBondContact O-N 3.25Å; D417-C420 PolarHBondContact O-N 3.13Å; D417-E421 WeakPolarHBondContact O-CG 3.46Å; D417-E421 PolarHBondContact O-N 3.19Å; D417-K428 VanDerWaalsContact CG-NZ 3.3Å; D417-K428 WeakPolarHBondContact OD1-CE 3.42Å; D417-K428 IonicContact OD1-NZ 3.93Å; D417-K428 PolarHBondContact OD1-NZ 2.94Å; D417-K428 IonicContact OD2-NZ 3.62Å
418T78.5Confident82.6Confident50 Ų5061.1 Ų61.131%0.30732%0.32SS..Hα-helixtrans-60-42.7174.9-54.40000111.3K414 Q415 M416 E421 Y422K414-T418 WeakPolarHBondContact O-CB 3.49Å; K414-T418 PolarHBondContact O-N 3.27Å; K414-T418 PolarHBondContact O-OG1 3.46Å; Q415-T418 PolarHBondContact O-N 3.22Å; M416-T418 VanDerWaalsContact C-N 3.34Å; M416-T418 PolarHBondContact O-N 3.39Å; T418-E421 PolarHBondContact O-N 3.48Å; T418-Y422 HydrophobicContact CG2-CD2 3.81Å; T418-Y422 HydrophobicContact CG2-CE2 3.54Å; T418-Y422 WeakPolarHBondContact O-CD2 3.38Å; T418-Y422 PolarHBondContact O-N 3.18Å; T418-Y422 VanDerWaalsContact O-N 3.09Å
419A78.7Confident82.9Confident0 Ų065.3 Ų65.30%034%0.337CS..Hα-helixtrans-65.8-40.4178.300000112.5F396 F398 Q415 M416 D417 Y422 F423F396-A419 HydrophobicContact CD1-CB 4.43Å; F396-A419 HydrophobicContact CE1-CB 4.1Å; F396-A419 HydrophobicContact CZ-CB 4.22Å; F398-A419 HydrophobicContact CE1-CB 3.79Å; F398-A419 HydrophobicContact CZ-CB 4.36Å; Q415-A419 PolarHBondContact O-N 3.43Å; M416-A419 PolarHBondContact O-N 3.2Å; D417-A419 VanDerWaalsContact C-N 3.33Å; D417-A419 PolarHBondContact O-N 3.25Å; A419-Y422 PolarHBondContact O-N 3Å; A419-F423 WeakPolarHBondContact O-CD2 3.41Å; A419-F423 PolarHBondContact O-N 3.49Å
420C83.7Confident83.1Confident19 Ų1964.2 Ų64.213%0.12832%0.321CS..Hα-helixtrans-69.2-32.9176.5-69.20000112.8M416 D417 F423 K428M416-C420 PolarHBondContact O-N 2.89Å; M416-C420 PolarHBondContact O-SG 3.36Å; D417-C420 PolarHBondContact O-N 3.13Å; C420-F423 CarbonylContact O-C 3.52Å; C420-K428 HydrophobicContact CB-CB 4.48Å
421E82.2Confident83.3Confident150 Ų15059.9 Ų59.970%0.70129%0.292SS*.Hα-helixtrans-64.6-43.1172.3-76.2174.4-169.300111.5D417 T418D417-E421 WeakPolarHBondContact O-CG 3.46Å; D417-E421 PolarHBondContact O-N 3.19Å; T418-E421 PolarHBondContact O-N 3.48Å
422Y74.4Confident83.4Confident84 Ų8461.9 Ų61.933%0.32930%0.301SS..Hα-helixtrans-71.3-37.7175.6-76.6-63.7000112.2H217 Q392 T418 A419 P424H217-Y422 PolarHBondContact CE1-O 2.66Å; H217-Y422 PolarHBondContact NE2-O 3Å; Q392-Y422 HydrophobicContact CG-CD2 4.46Å; Q392-Y422 HydrophobicContact CG-CE1 4.24Å; Q392-Y422 HydrophobicContact CG-CE2 3.98Å; T418-Y422 HydrophobicContact CG2-CD2 3.81Å; T418-Y422 HydrophobicContact CG2-CE2 3.54Å; T418-Y422 WeakPolarHBondContact O-CD2 3.38Å; T418-Y422 PolarHBondContact O-N 3.18Å; T418-Y422 VanDerWaalsContact O-N 3.09Å; A419-Y422 PolarHBondContact O-N 3Å; Y422-P424 VanDerWaalsContact O-CD 3.3Å; Y422-P424 WeakPolarHBondContact O-CD 3.3Å
423F78.8Confident83.4Confident6 Ų663.5 Ų63.53%0.02632%0.319CS..  trans-121.883.2-176.1-60.6-81.3000111.1I188 H217 F396 A419 C420 M425 I426 I473I188-F423 HydrophobicContact CB-CE1 4.44Å; H217-F423 AromaticContact CD2-CE1 3.76Å; F396-F423 AromaticContact CE2-CD2 3.93Å; F396-F423 HydrophobicContact CE2-CD2 3.93Å; F396-F423 AromaticContact CE2-CE2 3.51Å; F396-F423 HydrophobicContact CE2-CE2 3.51Å; F396-F423 HydrophobicContact CE2-CZ 4.36Å; F396-F423 AromaticContact CZ-CD2 3.53Å; F396-F423 HydrophobicContact CZ-CD2 3.53Å; F396-F423 AromaticContact CZ-CE2 3.6Å; F396-F423 HydrophobicContact CZ-CE2 3.6Å; F396-F423 HydrophobicContact CZ-CG 4.42Å; A419-F423 WeakPolarHBondContact O-CD2 3.41Å; A419-F423 PolarHBondContact O-N 3.49Å; C420-F423 CarbonylContact O-C 3.52Å; F423-M425 HydrophobicContact CB-CE 4.24Å; F423-M425 HydrophobicContact CD1-CE 3.69Å; F423-M425 HydrophobicContact CG-CE 4.35Å; F423-M425 PolarHBondContact O-N 3.14Å; F423-I426 HydrophobicContact CB-CD1 3.7Å; F423-I426 HydrophobicContact CB-CG1 4.01Å; F423-I426 HydrophobicContact CG-CD1 4.48Å; F423-I426 WeakPolarHBondContact O-CB 3.29Å; F423-I426 PolarHBondContact O-N 3.09Å; F423-I473 HydrophobicContact CB-CD1 4.48Å; F423-I473 HydrophobicContact CD1-CG2 3.85Å; F423-I473 HydrophobicContact CD2-CG2 4.12Å; F423-I473 HydrophobicContact CE1-CG2 3.63Å; F423-I473 HydrophobicContact CE2-CG2 3.94Å; F423-I473 HydrophobicContact CG-CG2 4.08Å; F423-I473 HydrophobicContact CZ-CG2 3.67Å
424P79.5Confident83.5Confident92 Ų9261.4 Ų61.460%0.59731%0.309SS*.THydrogen-bonded Turntrans-59.6-16.4-177.1-25.633.9000115.1Y422 I426Y422-P424 VanDerWaalsContact O-CD 3.3Å; Y422-P424 WeakPolarHBondContact O-CD 3.3Å; P424-I426 PolarHBondContact O-N 3.47Å
425M82.3Confident83.6Confident51 Ų5153.2 Ų53.225%0.25127%0.273SS..THydrogen-bonded Turntrans-72.5-8.5175.566-154.4-178.600114.3F165 I188 F423 K469 I473F165-M425 HydrophobicContact CD1-CE 4.07Å; F165-M425 HydrophobicContact CE1-CE 3.53Å; F165-M425 HydrophobicContact CE1-SD 3.78Å; F165-M425 HydrophobicContact CZ-CE 3.99Å; F165-M425 HydrophobicContact CZ-SD 4.41Å; I188-M425 HydrophobicContact CG2-CE 3.6Å; I188-M425 HydrophobicContact CG2-SD 4.43Å; F423-M425 HydrophobicContact CB-CE 4.24Å; F423-M425 HydrophobicContact CD1-CE 3.69Å; F423-M425 HydrophobicContact CG-CE 4.35Å; F423-M425 PolarHBondContact O-N 3.14Å; M425-K469 PolarHBondContact O-NZ 2.82Å; M425-I473 HydrophobicContact CE-CD1 3.27Å; M425-I473 HydrophobicContact CE-CG1 3.63Å
426I85.1Confident84Confident9 Ų954.3 Ų54.35%0.04628%0.279CS..SBendtrans-90.4124.9176.1-59176.9000109.3F396 F423 P424 K428 L431 E466 K469 I473F396-I426 HydrophobicContact CE1-CD1 4.14Å; F396-I426 HydrophobicContact CZ-CD1 4.4Å; F423-I426 HydrophobicContact CB-CD1 3.7Å; F423-I426 HydrophobicContact CB-CG1 4.01Å; F423-I426 HydrophobicContact CG-CD1 4.48Å; F423-I426 WeakPolarHBondContact O-CB 3.29Å; F423-I426 PolarHBondContact O-N 3.09Å; P424-I426 PolarHBondContact O-N 3.47Å; I426-K428 PolarHBondContact O-N 2.91Å; I426-L431 HydrophobicContact CG2-CB 4.27Å; I426-L431 HydrophobicContact CG2-CD2 3.67Å; I426-L431 HydrophobicContact CG2-CG 4.49Å; I426-E466 WeakPolarHBondContact CA-OE2 3.41Å; I426-K469 HydrophobicContact CG1-CD 4.46Å; I426-I473 HydrophobicContact CD1-CD1 3.74Å; I426-I473 HydrophobicContact CG1-CD1 3.86Å
427C87.9Confident84Confident58 Ų5858.5 Ų58.539%0.39230%0.304SS..  trans-80.8105.4176.4-177.80000110.8E429 K430 L431 E466C427-E429 PolarHBondContact O-N 2.92Å; C427-K430 HydrophobicContact CB-CB 4.1Å; C427-K430 PolarHBondContact O-N 3.3Å; C427-L431 VanDerWaalsContact O-CB 3.3Å; C427-L431 WeakPolarHBondContact O-CB 3.33Å; C427-L431 PolarHBondContact O-N 2.93Å; C427-E466 HydrophobicContact CB-CG 4.17Å; C427-E466 PolarHBondContact N-OE2 3.5Å
428K87.9Confident83.9Confident95 Ų9556.8 Ų56.841%0.41330%0.295SS..Hα-helixtrans-53.9-45.5-176.7177.1170.1164.9166.80113.9M416 D417 C420 I426 K432M416-K428 HydrophobicContact CE-CD 4.48Å; M416-K428 HydrophobicContact CE-CG 3.93Å; D417-K428 VanDerWaalsContact CG-NZ 3.3Å; D417-K428 WeakPolarHBondContact OD1-CE 3.42Å; D417-K428 IonicContact OD1-NZ 3.93Å; D417-K428 PolarHBondContact OD1-NZ 2.94Å; D417-K428 IonicContact OD2-NZ 3.62Å; C420-K428 HydrophobicContact CB-CB 4.48Å; I426-K428 PolarHBondContact O-N 2.91Å; K428-K432 WeakPolarHBondContact O-CB 3.21Å; K428-K432 PolarHBondContact O-N 3.22Å
429E86.7Confident84.1Confident170 Ų17054.7 Ų54.779%0.79428%0.282SS*.Hα-helixtrans-67.1-45-176.8-64.9176176.800111.6C427 K432 G433C427-E429 PolarHBondContact O-N 2.92Å; E429-K432 PolarHBondContact O-N 2.93Å; E429-G433 PolarHBondContact O-N 3Å
430K88.5Confident84.2Confident101 Ų10158.1 Ų58.144%0.43931%0.306SS..Hα-helixtrans-69.7-42.9179.7-171.8175.5-174.2-168.20111.5C427 K432 G433 E434 S465 E466C427-K430 HydrophobicContact CB-CB 4.1Å; C427-K430 PolarHBondContact O-N 3.3Å; K430-K432 VanDerWaalsContact C-N 3.31Å; K430-K432 PolarHBondContact O-N 2.7Å; K430-G433 PolarHBondContact O-N 3.36Å; K430-E434 VanDerWaalsContact CE-OE1 3.3Å; K430-E434 WeakPolarHBondContact CE-OE1 3.13Å; K430-E434 WeakPolarHBondContact O-CG 3.31Å; K430-E434 PolarHBondContact O-N 3.44Å; K430-S465 WeakPolarHBondContact CE-OG 3.45Å; K430-S465 PolarHBondContact NZ-OG 3.1Å; K430-E466 HydrophobicContact CB-CG 3.95Å; K430-E466 HydrophobicContact CD-CG 3.85Å; K430-E466 HydrophobicContact CG-CG 3.88Å
431L88.1Confident84Confident0 Ų058.3 Ų58.30%031%0.307CS..Hα-helixtrans-57.8-44.4174.6178.962.7000111.3F398 M416 I426 C427 G433 E434 L435 E466F398-L431 HydrophobicContact CE2-CD1 4.29Å; F398-L431 HydrophobicContact CE2-CD2 4.09Å; F398-L431 HydrophobicContact CZ-CD2 3.91Å; M416-L431 HydrophobicContact CG-CD2 3.86Å; M416-L431 HydrophobicContact SD-CD2 4.4Å; M416-L431 HydrophobicContact SD-CG 4.46Å; I426-L431 HydrophobicContact CG2-CB 4.27Å; I426-L431 HydrophobicContact CG2-CD2 3.67Å; I426-L431 HydrophobicContact CG2-CG 4.49Å; C427-L431 VanDerWaalsContact O-CB 3.3Å; C427-L431 WeakPolarHBondContact O-CB 3.33Å; C427-L431 PolarHBondContact O-N 2.93Å; L431-G433 PolarHBondContact O-N 2.97Å; L431-E434 PolarHBondContact O-N 2.97Å; L431-L435 HydrophobicContact CD1-CD1 3.87Å; L431-L435 HydrophobicContact CD1-CD2 4.37Å; L431-L435 HydrophobicContact CD1-CG 3.88Å; L431-L435 HydrophobicContact CD2-CD1 4.34Å; L431-L435 HydrophobicContact CG-CD1 3.76Å; L431-L435 HydrophobicContact CG-CG 4.2Å; L431-L435 WeakPolarHBondContact O-CB 3.34Å; L431-L435 VanDerWaalsContact O-CG 3.27Å; L431-L435 WeakPolarHBondContact O-CG 3.14Å; L431-L435 PolarHBondContact O-N 3.06Å; L431-E466 HydrophobicContact CB-CB 3.95Å; L431-E466 HydrophobicContact CD1-CB 4.13Å
432K88.3Confident83.6Confident85 Ų8555.9 Ų55.937%0.3730%0.303SS..Hα-helixtrans-59.7-45.5177.8-176.2169.6-178.9163.80111.8F411 M416 K428 E429 K430 L435 M436F411-K432 HydrophobicContact CE1-CD 4.46Å; F411-K432 HydrophobicContact CE1-CG 4.18Å; F411-K432 HydrophobicContact CE2-CG 4.47Å; F411-K432 HydrophobicContact CZ-CB 4.44Å; F411-K432 HydrophobicContact CZ-CG 3.87Å; M416-K432 HydrophobicContact CE-CB 4.28Å; M416-K432 HydrophobicContact CE-CD 4.37Å; M416-K432 HydrophobicContact SD-CB 3.92Å; K428-K432 WeakPolarHBondContact O-CB 3.21Å; K428-K432 PolarHBondContact O-N 3.22Å; E429-K432 PolarHBondContact O-N 2.93Å; K430-K432 VanDerWaalsContact C-N 3.31Å; K430-K432 PolarHBondContact O-N 2.7Å; K432-L435 PolarHBondContact O-N 3.2Å; K432-M436 VanDerWaalsContact O-CG 3.23Å; K432-M436 WeakPolarHBondContact O-CG 3.25Å; K432-M436 PolarHBondContact O-N 2.89Å
433G85.1Confident83.5Confident40 Ų4058.4 Ų58.441%0.41232%0.317SS..Hα-helixtrans-61.2-46.3176.700000112.7E429 K430 L431 M436 V437E429-G433 PolarHBondContact O-N 3Å; K430-G433 PolarHBondContact O-N 3.36Å; L431-G433 PolarHBondContact O-N 2.97Å; G433-M436 PolarHBondContact O-N 3Å; G433-V437 WeakPolarHBondContact O-CG2 3.07Å; G433-V437 PolarHBondContact O-N 3.14Å
434E88.3Confident83Confident14 Ų1459 Ų597%0.06532%0.32CS..Hα-helixtrans-61.9-45.1178.1-71.7-179.7-167.700111.9K430 L431 V437 M438 F464 S465 E466 T467K430-E434 VanDerWaalsContact CE-OE1 3.3Å; K430-E434 WeakPolarHBondContact CE-OE1 3.13Å; K430-E434 WeakPolarHBondContact O-CG 3.31Å; K430-E434 PolarHBondContact O-N 3.44Å; L431-E434 PolarHBondContact O-N 2.97Å; E434-V437 PolarHBondContact O-N 3.28Å; E434-M438 WeakPolarHBondContact O-CB 3.33Å; E434-M438 PolarHBondContact O-N 3.37Å; E434-F464 HydrophobicContact CB-CD1 3.95Å; E434-F464 HydrophobicContact CB-CE1 4.5Å; E434-F464 HydrophobicContact CG-CD1 4.35Å; E434-F464 WeakPolarHBondContact O-CE1 3.14Å; E434-F464 VanDerWaalsContact OE2-CA 3.29Å; E434-F464 WeakPolarHBondContact OE2-CA 3.32Å; E434-S465 PolarHBondContact OE1-N 2.71Å; E434-S465 PolarHBondContact OE1-OG 2.92Å; E434-S465 PolarHBondContact OE2-N 3.15Å; E434-E466 PolarHBondContact OE1-N 3.28Å; E434-E466 WeakPolarHBondContact OE2-CA 3.4Å; E434-E466 PolarHBondContact OE2-N 3.35Å; E434-T467 WeakPolarHBondContact CB-OG1 3.43Å; E434-T467 PolarHBondContact OE2-N 2.83Å; E434-T467 PolarHBondContact OE2-OG1 3.47Å
435L85.9Confident82.2Confident0 Ų060.8 Ų60.80%032%0.321CS..Hα-helixtrans-66.2-40178.7-69.9174.4000112.9F398 F411 L431 K432 V437 M438 Y439 T467F398-L435 HydrophobicContact CD2-CD1 3.43Å; F398-L435 VanDerWaalsContact CD2-CD1 3.43Å; F398-L435 HydrophobicContact CD2-CD2 3.86Å; F398-L435 HydrophobicContact CD2-CG 4.3Å; F398-L435 HydrophobicContact CE2-CD1 3.77Å; F398-L435 HydrophobicContact CE2-CD2 4.26Å; F398-L435 HydrophobicContact CG-CD1 4.17Å; F411-L435 HydrophobicContact CE2-CB 4.01Å; F411-L435 HydrophobicContact CZ-CB 4.32Å; F411-L435 HydrophobicContact CZ-CD1 4.24Å; L431-L435 HydrophobicContact CD1-CD1 3.87Å; L431-L435 HydrophobicContact CD1-CD2 4.37Å; L431-L435 HydrophobicContact CD1-CG 3.88Å; L431-L435 HydrophobicContact CD2-CD1 4.34Å; L431-L435 HydrophobicContact CG-CD1 3.76Å; L431-L435 HydrophobicContact CG-CG 4.2Å; L431-L435 WeakPolarHBondContact O-CB 3.34Å; L431-L435 VanDerWaalsContact O-CG 3.27Å; L431-L435 WeakPolarHBondContact O-CG 3.14Å; L431-L435 PolarHBondContact O-N 3.06Å; K432-L435 PolarHBondContact O-N 3.2Å; L435-V437 VanDerWaalsContact C-N 3.3Å; L435-V437 PolarHBondContact O-N 2.99Å; L435-M438 PolarHBondContact O-N 3.46Å; L435-M438 VanDerWaalsContact O-N 3.16Å; L435-Y439 HydrophobicContact CB-CE1 4.49Å; L435-Y439 HydrophobicContact CB-CE2 3.89Å; L435-Y439 HydrophobicContact CD2-CE1 4.24Å; L435-Y439 VanDerWaalsContact O-CD2 3.29Å; L435-Y439 WeakPolarHBondContact O-CD2 3.35Å; L435-Y439 PolarHBondContact O-N 3.45Å; L435-T467 HydrophobicContact CD2-CG2 4.12Å
436M84.6Confident81.2Confident80 Ų8061.9 Ų61.939%0.39435%0.345SS..Hα-helixtrans-60-41.4177.1-74.4-63.1-54.900112F411 K432 G433 S440F411-M436 HydrophobicContact CD2-CG 4.26Å; F411-M436 HydrophobicContact CD2-SD 3.33Å; F411-M436 WeakPolarHBondContact CD2-SD 3.49Å; F411-M436 HydrophobicContact CE2-CG 4.05Å; F411-M436 HydrophobicContact CE2-SD 3.73Å; F411-M436 HydrophobicContact CG-SD 4.17Å; K432-M436 VanDerWaalsContact O-CG 3.23Å; K432-M436 WeakPolarHBondContact O-CG 3.25Å; K432-M436 PolarHBondContact O-N 2.89Å; G433-M436 PolarHBondContact O-N 3Å; M436-S440 WeakPolarHBondContact O-CB 3.44Å; M436-S440 PolarHBondContact O-N 3.06Å; M436-S440 PolarHBondContact O-OG 3.07Å
437V85.3Confident80.1Confident87 Ų8762.7 Ų62.753%0.52735%0.349SS..Hα-helixtrans-66.2-43.2175.2175.10000110.4G433 E434 L435 S440 S441 F464G433-V437 WeakPolarHBondContact O-CG2 3.07Å; G433-V437 PolarHBondContact O-N 3.14Å; E434-V437 PolarHBondContact O-N 3.28Å; L435-V437 VanDerWaalsContact C-N 3.3Å; L435-V437 PolarHBondContact O-N 2.99Å; V437-S440 PolarHBondContact O-N 2.79Å; V437-S441 WeakPolarHBondContact O-CB 3.43Å; V437-S441 PolarHBondContact O-N 3.13Å; V437-F464 HydrophobicContact CB-CE1 4.49Å; V437-F464 HydrophobicContact CG1-CE1 4.43Å; V437-F464 HydrophobicContact CG1-CZ 4.13Å
438M82.1Confident78.5Confident1 Ų166.8 Ų66.81%0.00537%0.373CS..Hα-helixtrans-63.5-42.2-179.8-169.1170.2-69.300112.6F404 E434 L435 S440 S441 F444 L455 F464 T467F404-M438 HydrophobicContact CD2-CG 4.4Å; F404-M438 HydrophobicContact CE2-CG 3.73Å; F404-M438 HydrophobicContact CE2-SD 3.88Å; F404-M438 HydrophobicContact CZ-CG 4.2Å; F404-M438 HydrophobicContact CZ-SD 3.84Å; E434-M438 WeakPolarHBondContact O-CB 3.33Å; E434-M438 PolarHBondContact O-N 3.37Å; L435-M438 PolarHBondContact O-N 3.46Å; L435-M438 VanDerWaalsContact O-N 3.16Å; M438-S440 VanDerWaalsContact C-N 3.29Å; M438-S440 PolarHBondContact O-N 3.38Å; M438-S441 PolarHBondContact O-N 3.24Å; M438-F444 HydrophobicContact CE-CE1 4.22Å; M438-F444 HydrophobicContact CE-CZ 4.37Å; M438-F444 HydrophobicContact CG-CB 4.37Å; M438-F444 HydrophobicContact CG-CD1 4.11Å; M438-F444 HydrophobicContact CG-CD2 3.93Å; M438-F444 HydrophobicContact CG-CE1 4.39Å; M438-F444 HydrophobicContact CG-CE2 4.23Å; M438-F444 HydrophobicContact CG-CG 3.87Å; M438-F444 HydrophobicContact CG-CZ 4.45Å; M438-L455 HydrophobicContact CE-CD1 4.4Å; M438-L455 HydrophobicContact CE-CD2 4.11Å; M438-F464 HydrophobicContact CB-CE1 4.13Å; M438-F464 HydrophobicContact CE-CB 4.45Å; M438-F464 HydrophobicContact CE-CD1 3.46Å; M438-F464 VanDerWaalsContact CE-CD1 3.46Å; M438-F464 HydrophobicContact CE-CE1 3.74Å; M438-F464 HydrophobicContact CE-CG 3.94Å; M438-F464 HydrophobicContact CE-CZ 4.42Å; M438-T467 HydrophobicContact CE-CG2 3.6Å; M438-T467 HydrophobicContact SD-CG2 3.89Å
439Y83.8Confident76.8Confident7 Ų765.3 Ų65.33%0.02737%0.374CS..Hα-helixtrans-71.1-24.2178.8-56.9-26000113.6F398 F404 F407 N408 F411 P412 L435F398-Y439 WeakPolarHBondContact CB-OH 3.49Å; F398-Y439 WeakPolarHBondContact O-CE1 3.3Å; F398-Y439 PolarHBondContact O-OH 3.12Å; F404-Y439 HydrophobicContact CB-CD1 4.14Å; F404-Y439 AromaticContact CD1-CD1 3.65Å; F404-Y439 HydrophobicContact CD1-CD1 3.65Å; F404-Y439 AromaticContact CD1-CE1 3.53Å; F404-Y439 HydrophobicContact CD1-CE1 3.53Å; F404-Y439 HydrophobicContact CD2-CD1 4.33Å; F404-Y439 HydrophobicContact CE1-CD1 4.1Å; F404-Y439 AromaticContact CE1-CE1 3.64Å; F404-Y439 HydrophobicContact CE1-CE1 3.64Å; F404-Y439 AromaticContact CG-CD1 3.79Å; F404-Y439 HydrophobicContact CG-CD1 3.79Å; F404-Y439 HydrophobicContact CG-CE1 4.16Å; F404-Y439 HydrophobicContact CZ-CE1 4.34Å; F407-Y439 HydrophobicContact CB-CD1 4.29Å; F407-Y439 HydrophobicContact CB-CD2 3.73Å; F407-Y439 HydrophobicContact CB-CE1 4.24Å; F407-Y439 HydrophobicContact CB-CE2 3.66Å; F407-Y439 HydrophobicContact CB-CG 4.06Å; F407-Y439 HydrophobicContact CD2-CE1 4.1Å; F407-Y439 AromaticContact CD2-CZ 3.99Å; F407-Y439 HydrophobicContact CG-CE2 4.41Å; N408-Y439 PolarHBondContact ND2-O 3.08Å; F411-Y439 HydrophobicContact CD2-CD2 4.08Å; F411-Y439 AromaticContact CD2-CE2 3.76Å; F411-Y439 HydrophobicContact CD2-CE2 3.76Å; F411-Y439 HydrophobicContact CE2-CD2 4.18Å; F411-Y439 AromaticContact CE2-CE2 3.61Å; F411-Y439 HydrophobicContact CE2-CE2 3.61Å; P412-Y439 HydrophobicContact CG-CE2 4.46Å; L435-Y439 HydrophobicContact CB-CE1 4.49Å; L435-Y439 HydrophobicContact CB-CE2 3.89Å; L435-Y439 HydrophobicContact CD2-CE1 4.24Å; L435-Y439 VanDerWaalsContact O-CD2 3.29Å; L435-Y439 WeakPolarHBondContact O-CD2 3.35Å; L435-Y439 PolarHBondContact O-N 3.45Å
440S80.9Confident75.4Confident71 Ų7159.4 Ų59.450%0.49736%0.355SS..Hα-helixtrans-88.3-8.3-179.6-54.40000113.2M436 V437 M438M436-S440 WeakPolarHBondContact O-CB 3.44Å; M436-S440 PolarHBondContact O-N 3.06Å; M436-S440 PolarHBondContact O-OG 3.07Å; V437-S440 PolarHBondContact O-N 2.79Å; M438-S440 VanDerWaalsContact C-N 3.29Å; M438-S440 PolarHBondContact O-N 3.38Å
441S79.2Confident74.1Confident23 Ų2354.8 Ų54.816%0.16134%0.335CS..  trans-100.8123.5-170.6160.30000110.9V437 M438 E443 F444V437-S441 WeakPolarHBondContact O-CB 3.43Å; V437-S441 PolarHBondContact O-N 3.13Å; M438-S441 PolarHBondContact O-N 3.24Å; S441-E443 PolarHBondContact O-N 3.38Å; S441-E443 PolarHBondContact OG-OE2 3.49Å; S441-F444 PolarHBondContact O-N 3.34Å; S441-F444 WeakPolarHBondContact OG-CD2 3.23Å; S441-F444 WeakPolarHBondContact OG-CE2 3.33Å
442T72.4Confident72.9Confident100 Ų10056.6 Ų56.661%0.61335%0.345SS*.G310 helixtrans-65.6-20.3-179.949.80000112.9F444 E445T442-F444 PolarHBondContact O-N 3.44Å; T442-E445 PolarHBondContact O-N 3.49Å
443E72.1Confident71.8Confident136 Ų13659 Ų5964%0.63636%0.355SS*.G310 helixtrans-67.5-16.4178-62.389.6156.700113.2S441S441-E443 PolarHBondContact O-N 3.38Å; S441-E443 PolarHBondContact OG-OE2 3.49Å
444F68.7Low70.9Confident19 Ų1960 Ų608%0.08335%0.35CS..G310 helixtrans-103.41.4178-59.5-80.3000113.7F404 M438 S441 T442 L447 F464F404-F444 HydrophobicContact CD2-CB 4.01Å; F404-F444 HydrophobicContact CE2-CB 4.05Å; M438-F444 HydrophobicContact CE-CE1 4.22Å; M438-F444 HydrophobicContact CE-CZ 4.37Å; M438-F444 HydrophobicContact CG-CB 4.37Å; M438-F444 HydrophobicContact CG-CD1 4.11Å; M438-F444 HydrophobicContact CG-CD2 3.93Å; M438-F444 HydrophobicContact CG-CE1 4.39Å; M438-F444 HydrophobicContact CG-CE2 4.23Å; M438-F444 HydrophobicContact CG-CG 3.87Å; M438-F444 HydrophobicContact CG-CZ 4.45Å; S441-F444 PolarHBondContact O-N 3.34Å; S441-F444 WeakPolarHBondContact OG-CD2 3.23Å; S441-F444 WeakPolarHBondContact OG-CE2 3.33Å; T442-F444 PolarHBondContact O-N 3.44Å; F444-L447 HydrophobicContact CB-CD1 4.19Å; F444-L447 HydrophobicContact CD1-CD1 4.03Å; F444-F464 HydrophobicContact CE2-CZ 4.39Å; F444-F464 HydrophobicContact CZ-CE2 4.22Å; F444-F464 HydrophobicContact CZ-CZ 4.22Å
445E62.8Low70.1Confident130 Ų13059.4 Ų59.461%0.60735%0.347SS*.THydrogen-bonded Turntrans-76.1134.5177.3-68.7-176.2171.400111.7T442T442-E445 PolarHBondContact O-N 3.49Å
446G61.8Low69.2Low74 Ų7463.3 Ų63.376%0.76337%0.367SS*.THydrogen-bonded Turntrans83.211174.600000116.3T448G446-T448 PolarHBondContact O-N 3.36Å
447L62.4Low68.4Low25 Ų2564.2 Ų64.213%0.13137%0.373CS..  trans-69.1118.1176.5-70.9169.3000111.6P401 F444 M454P401-L447 HydrophobicContact CB-CB 3.79Å; P401-L447 WeakPolarHBondContact CB-O 3.42Å; P401-L447 HydrophobicContact CG-CB 3.97Å; F444-L447 HydrophobicContact CB-CD1 4.19Å; F444-L447 HydrophobicContact CD1-CD1 4.03Å; L447-M454 HydrophobicContact CD2-CE 4.35Å; L447-M454 HydrophobicContact CD2-CG 3.73Å; L447-M454 HydrophobicContact CD2-SD 4.39Å
448T53.6Low67.5Low145 Ų14564.1 Ų64.189%0.8937%0.37SS*.  trans-86.9-12.4179.3-0.50000113.6G446G446-T448 PolarHBondContact O-N 3.36Å
449S52.6Low66.7Low63 Ų6372.5 Ų72.544%0.44141%0.406SS..SBendtrans-118.5152.7-177.263.20000111.7
450A57Low66Low47 Ų4774.6 Ų74.639%0.38842%0.418SS..  trans-46.5135.6179.200000112.2L452 K453 I475A450-L452 PolarHBondContact O-N 2.95Å; A450-K453 PolarHBondContact O-N 2.62Å; A450-I475 HydrophobicContact CB-CD1 3.97Å
451P60.9Low65.3Low4 Ų473.9 Ų73.93%0.02641%0.412CS..Hα-helixtrans-52.1-21.5-175.8-3035.9000115.1I399 P401 F404 K453 M454 L455I399-P451 HydrophobicContact CG2-CB 4.45Å; I399-P451 HydrophobicContact CG2-CG 3.69Å; I399-P451 WeakPolarHBondContact O-CG 3.44Å; P401-P451 HydrophobicContact CG-CG 4.07Å; F404-P451 HydrophobicContact CZ-CG 4.34Å; P451-K453 PolarHBondContact O-N 2.7Å; P451-M454 PolarHBondContact O-N 3.17Å; P451-L455 HydrophobicContact CB-CD1 4.31Å; P451-L455 WeakPolarHBondContact O-CB 3.43Å; P451-L455 VanDerWaalsContact O-CG 3.28Å; P451-L455 WeakPolarHBondContact O-CG 3.41Å; P451-L455 PolarHBondContact O-N 2.86Å
452L64.3Low64.9Low38 Ų3877.5 Ų77.520%0.19944%0.437CS..Hα-helixtrans-55.9-45.2-177.1-171.3141.4000113.7A450 M454 L455 I456 L468 T471 Q472 I475A450-L452 PolarHBondContact O-N 2.95Å; L452-M454 PolarHBondContact O-N 3.34Å; L452-L455 PolarHBondContact O-N 3.22Å; L452-I456 HydrophobicContact CD2-CD1 3.44Å; L452-I456 VanDerWaalsContact CD2-CD1 3.44Å; L452-I456 HydrophobicContact CD2-CG1 4.48Å; L452-I456 HydrophobicContact CG-CD1 3.97Å; L452-I456 VanDerWaalsContact O-CG1 3.28Å; L452-I456 WeakPolarHBondContact O-CG1 3.44Å; L452-I456 PolarHBondContact O-N 3.21Å; L452-L468 HydrophobicContact CD1-CD1 4.36Å; L452-L468 HydrophobicContact CG-CD1 4.1Å; L452-T471 HydrophobicContact CB-CG2 3.68Å; L452-T471 HydrophobicContact CD1-CG2 4.31Å; L452-Q472 HydrophobicContact CD1-CB 4.35Å; L452-Q472 HydrophobicContact CD1-CG 3.53Å; L452-I475 HydrophobicContact CB-CD1 4.04Å; L452-I475 HydrophobicContact CD1-CD1 3.88Å; L452-I475 HydrophobicContact CG-CD1 4.47Å
453K64.1Low65Low134 Ų13476.5 Ų76.558%0.58343%0.431SS*.Hα-helixtrans-64.9-43.4-177-170.7174.5179.6-177.30111A450 P451 I456 D457A450-K453 PolarHBondContact O-N 2.62Å; P451-K453 PolarHBondContact O-N 2.7Å; K453-I456 PolarHBondContact O-N 3.1Å; K453-D457 WeakPolarHBondContact CG-OD2 3.35Å; K453-D457 VanDerWaalsContact O-CB 3.32Å; K453-D457 WeakPolarHBondContact O-CB 3.37Å; K453-D457 PolarHBondContact O-N 3.41Å
454M67.3Low65.5Low62 Ų6270.7 Ų70.731%0.30540%0.403SS..Hα-helixtrans-66.7-40.3176.8-78.1-66.1-71.500113.2L447 P451 L452 I456 D457 N458L447-M454 HydrophobicContact CD2-CE 4.35Å; L447-M454 HydrophobicContact CD2-CG 3.73Å; L447-M454 HydrophobicContact CD2-SD 4.39Å; P451-M454 PolarHBondContact O-N 3.17Å; L452-M454 PolarHBondContact O-N 3.34Å; M454-I456 VanDerWaalsContact C-N 3.29Å; M454-I456 PolarHBondContact O-N 3.37Å; M454-D457 PolarHBondContact O-N 3.13Å; M454-N458 VanDerWaalsContact CE-ND2 3.35Å; M454-N458 WeakPolarHBondContact CE-ND2 3.25Å; M454-N458 WeakPolarHBondContact O-CB 3.34Å; M454-N458 PolarHBondContact O-N 3.09Å; M454-N458 PolarHBondContact O-ND2 3.05Å
455L70Confident66.2Low1 Ų171.1 Ų71.11%0.00541%0.408CS..Hα-helixtrans-64-37177.7-72.7173.8000111.9M438 P451 L452 L460 F464 T467 L468M438-L455 HydrophobicContact CE-CD1 4.4Å; M438-L455 HydrophobicContact CE-CD2 4.11Å; P451-L455 HydrophobicContact CB-CD1 4.31Å; P451-L455 WeakPolarHBondContact O-CB 3.43Å; P451-L455 VanDerWaalsContact O-CG 3.28Å; P451-L455 WeakPolarHBondContact O-CG 3.41Å; P451-L455 PolarHBondContact O-N 2.86Å; L452-L455 PolarHBondContact O-N 3.22Å; L455-L460 HydrophobicContact CD2-CB 4.25Å; L455-L460 PolarHBondContact O-N 3.48Å; L455-L460 VanDerWaalsContact O-N 3.07Å; L455-F464 HydrophobicContact CD1-CB 4.44Å; L455-F464 HydrophobicContact CD2-CB 3.78Å; L455-F464 HydrophobicContact CD2-CD2 3.86Å; L455-F464 HydrophobicContact CD2-CG 3.95Å; L455-T467 HydrophobicContact CD1-CG2 4.41Å; L455-L468 HydrophobicContact CB-CD1 4.3Å; L455-L468 HydrophobicContact CD1-CB 4.38Å; L455-L468 HydrophobicContact CD1-CD1 4.42Å
456I67.9Low67.3Low82 Ų8265.7 Ų65.742%0.42138%0.383SS..Hα-helixtrans-72.6-49.7176-67.3173.8000110.7L452 K453 M454 N458 K459 L468L452-I456 HydrophobicContact CD2-CD1 3.44Å; L452-I456 VanDerWaalsContact CD2-CD1 3.44Å; L452-I456 HydrophobicContact CD2-CG1 4.48Å; L452-I456 HydrophobicContact CG-CD1 3.97Å; L452-I456 VanDerWaalsContact O-CG1 3.28Å; L452-I456 WeakPolarHBondContact O-CG1 3.44Å; L452-I456 PolarHBondContact O-N 3.21Å; K453-I456 PolarHBondContact O-N 3.1Å; M454-I456 VanDerWaalsContact C-N 3.29Å; M454-I456 PolarHBondContact O-N 3.37Å; I456-N458 VanDerWaalsContact C-N 3.27Å; I456-N458 PolarHBondContact O-N 3.49Å; I456-K459 PolarHBondContact O-N 3.37Å; I456-K459 VanDerWaalsContact O-N 3.07Å; I456-L468 HydrophobicContact CG1-CD1 4.34Å
457D67.3Low68.3Low100 Ų10062.2 Ų62.254%0.53535%0.347SS..Hα-helixtrans-62.6-34.2-175.8-70.2-14.5000112.1K453 M454 K459K453-D457 WeakPolarHBondContact CG-OD2 3.35Å; K453-D457 VanDerWaalsContact O-CB 3.32Å; K453-D457 WeakPolarHBondContact O-CB 3.37Å; K453-D457 PolarHBondContact O-N 3.41Å; M454-D457 PolarHBondContact O-N 3.13Å; D457-K459 VanDerWaalsContact C-N 3.34Å; D457-K459 PolarHBondContact O-N 3.05Å
458N66.8Low69.3Low85 Ų8561.8 Ų61.846%0.45535%0.345SS..THydrogen-bonded Turntrans-88.47178.3-66.2-57.1000114.5M454 I456 L460M454-N458 VanDerWaalsContact CE-ND2 3.35Å; M454-N458 WeakPolarHBondContact CE-ND2 3.25Å; M454-N458 WeakPolarHBondContact O-CB 3.34Å; M454-N458 PolarHBondContact O-N 3.09Å; M454-N458 PolarHBondContact O-ND2 3.05Å; I456-N458 VanDerWaalsContact C-N 3.27Å; I456-N458 PolarHBondContact O-N 3.49Å; N458-L460 HydrophobicContact CB-CD1 3.94Å; N458-L460 HydrophobicContact CB-CG 4.01Å; N458-L460 PolarHBondContact O-N 2.85Å
459K65.6Low70.7Confident176 Ų17657.2 Ų57.277%0.76531%0.313SS*.THydrogen-bonded Turntrans54.632.9-178.8-54.3179.9-178.61780113.7I456 D457 P461I456-K459 PolarHBondContact O-N 3.37Å; I456-K459 VanDerWaalsContact O-N 3.07Å; D457-K459 VanDerWaalsContact C-N 3.34Å; D457-K459 PolarHBondContact O-N 3.05Å; K459-P461 WeakPolarHBondContact O-CD 3.05Å
460L68.6Low72.1Confident52 Ų5254.2 Ų54.227%0.27229%0.292SS..  trans-89.614.2174.5-61.2172.2000117.1L455 N458 S462 T463 F464L455-L460 HydrophobicContact CD2-CB 4.25Å; L455-L460 PolarHBondContact O-N 3.48Å; L455-L460 VanDerWaalsContact O-N 3.07Å; N458-L460 HydrophobicContact CB-CD1 3.94Å; N458-L460 HydrophobicContact CB-CG 4.01Å; N458-L460 PolarHBondContact O-N 2.85Å; L460-S462 PolarHBondContact O-N 2.96Å; L460-S462 VanDerWaalsContact O-N 3.14Å; L460-T463 PolarHBondContact O-N 3.16Å; L460-T463 VanDerWaalsContact O-N 3.12Å; L460-F464 HydrophobicContact CB-CD2 4.11Å; L460-F464 HydrophobicContact CD1-CD2 4.36Å; L460-F464 HydrophobicContact CD1-CE2 4.29Å; L460-F464 PolarHBondContact O-N 2.83Å
461P67Low73.1Confident56 Ų5652.1 Ų52.136%0.36427%0.274SS..THydrogen-bonded Turntrans-57.2-28.4178-27.835.5000115.4K459 S465 L468K459-P461 WeakPolarHBondContact O-CD 3.05Å; P461-S465 WeakPolarHBondContact O-CA 3.49Å; P461-S465 WeakPolarHBondContact O-CB 3.5Å; P461-L468 HydrophobicContact CB-CD2 3.72Å; P461-L468 HydrophobicContact CG-CD2 4.18Å
462S69.4Low73.9Confident98 Ų9854 Ų5469%0.68528%0.282SS*.THydrogen-bonded Turntrans-75.8-32.8178.651.40000112.7L460L460-S462 PolarHBondContact O-N 2.96Å; L460-S462 VanDerWaalsContact O-N 3.14Å
463T75.4Confident74.6Confident80 Ų8052.2 Ų52.249%0.49127%0.273SS..THydrogen-bonded Turntrans-83.7-43.6-176.9-50.20000111.8L460L460-T463 PolarHBondContact O-N 3.16Å; L460-T463 VanDerWaalsContact O-N 3.12Å
464F81.7Confident75.1Confident14 Ų1447 Ų476%0.06126%0.255CS..SBendtrans-110.851.6-178.7-67.7-83.2000111E434 V437 M438 F444 L455 L460 L468E434-F464 HydrophobicContact CB-CD1 3.95Å; E434-F464 HydrophobicContact CB-CE1 4.5Å; E434-F464 HydrophobicContact CG-CD1 4.35Å; E434-F464 WeakPolarHBondContact O-CE1 3.14Å; E434-F464 VanDerWaalsContact OE2-CA 3.29Å; E434-F464 WeakPolarHBondContact OE2-CA 3.32Å; V437-F464 HydrophobicContact CB-CE1 4.49Å; V437-F464 HydrophobicContact CG1-CE1 4.43Å; V437-F464 HydrophobicContact CG1-CZ 4.13Å; M438-F464 HydrophobicContact CB-CE1 4.13Å; M438-F464 HydrophobicContact CE-CB 4.45Å; M438-F464 HydrophobicContact CE-CD1 3.46Å; M438-F464 VanDerWaalsContact CE-CD1 3.46Å; M438-F464 HydrophobicContact CE-CE1 3.74Å; M438-F464 HydrophobicContact CE-CG 3.94Å; M438-F464 HydrophobicContact CE-CZ 4.42Å; F444-F464 HydrophobicContact CE2-CZ 4.39Å; F444-F464 HydrophobicContact CZ-CE2 4.22Å; F444-F464 HydrophobicContact CZ-CZ 4.22Å; L455-F464 HydrophobicContact CD1-CB 4.44Å; L455-F464 HydrophobicContact CD2-CB 3.78Å; L455-F464 HydrophobicContact CD2-CD2 3.86Å; L455-F464 HydrophobicContact CD2-CG 3.95Å; L460-F464 HydrophobicContact CB-CD2 4.11Å; L460-F464 HydrophobicContact CD1-CD2 4.36Å; L460-F464 HydrophobicContact CD1-CE2 4.29Å; L460-F464 PolarHBondContact O-N 2.83Å; F464-L468 WeakPolarHBondContact O-CB 3.26Å; F464-L468 PolarHBondContact O-N 2.77Å
465S84.8Confident75.3Confident27 Ų2748.8 Ų48.819%0.18927%0.265CS..Hα-helixtrans-66-39.4-171.960.80000113.6K430 E434 P461 K469K430-S465 WeakPolarHBondContact CE-OG 3.45Å; K430-S465 PolarHBondContact NZ-OG 3.1Å; E434-S465 PolarHBondContact OE1-N 2.71Å; E434-S465 PolarHBondContact OE1-OG 2.92Å; E434-S465 PolarHBondContact OE2-N 3.15Å; P461-S465 WeakPolarHBondContact O-CA 3.49Å; P461-S465 WeakPolarHBondContact O-CB 3.5Å; S465-K469 VanDerWaalsContact O-CB 3.31Å; S465-K469 WeakPolarHBondContact O-CB 3.23Å; S465-K469 PolarHBondContact O-N 3.43Å
466E86.1Confident75.5Confident17 Ų1750.9 Ų50.98%0.07928%0.277CS..Hα-helixtrans-83.1-34.2-179.8-63.9-58.8137.300111.2I426 C427 K430 L431 E434 K469 S470I426-E466 WeakPolarHBondContact CA-OE2 3.41Å; C427-E466 HydrophobicContact CB-CG 4.17Å; C427-E466 PolarHBondContact N-OE2 3.5Å; K430-E466 HydrophobicContact CB-CG 3.95Å; K430-E466 HydrophobicContact CD-CG 3.85Å; K430-E466 HydrophobicContact CG-CG 3.88Å; L431-E466 HydrophobicContact CB-CB 3.95Å; L431-E466 HydrophobicContact CD1-CB 4.13Å; E434-E466 PolarHBondContact OE1-N 3.28Å; E434-E466 WeakPolarHBondContact OE2-CA 3.4Å; E434-E466 PolarHBondContact OE2-N 3.35Å; E466-K469 PolarHBondContact O-N 2.89Å; E466-K469 IonicContact OE1-NZ 3.66Å; E466-K469 PolarHBondContact OE1-NZ 3Å; E466-K469 IonicContact OE2-NZ 2.75Å; E466-K469 PolarHBondContact OE2-NZ 3.03Å; E466-S470 VanDerWaalsContact O-CB 3.29Å; E466-S470 WeakPolarHBondContact O-CB 3.43Å; E466-S470 PolarHBondContact O-N 3.31Å; E466-S470 PolarHBondContact O-OG 3.27Å
467T82.9Confident75.6Confident0 Ų047.5 Ų47.50%026%0.26CS..Hα-helixtrans-65-41.9171.2-53.20000110.8E434 L435 M438 L455 S470 T471E434-T467 WeakPolarHBondContact CB-OG1 3.43Å; E434-T467 PolarHBondContact OE2-N 2.83Å; E434-T467 PolarHBondContact OE2-OG1 3.47Å; L435-T467 HydrophobicContact CD2-CG2 4.12Å; M438-T467 HydrophobicContact CE-CG2 3.6Å; M438-T467 HydrophobicContact SD-CG2 3.89Å; L455-T467 HydrophobicContact CD1-CG2 4.41Å; T467-S470 PolarHBondContact O-N 3.35Å; T467-T471 WeakPolarHBondContact O-CB 3.4Å; T467-T471 PolarHBondContact O-N 2.71Å; T467-T471 PolarHBondContact O-OG1 2.97Å
468L82.3Confident75Confident17 Ų1743.5 Ų43.59%0.08924%0.24CC..Hα-helixtrans-61.2-48.5173.5-179.466.1000110.8L452 L455 I456 P461 F464 S470 T471 Q472L452-L468 HydrophobicContact CD1-CD1 4.36Å; L452-L468 HydrophobicContact CG-CD1 4.1Å; L455-L468 HydrophobicContact CB-CD1 4.3Å; L455-L468 HydrophobicContact CD1-CB 4.38Å; L455-L468 HydrophobicContact CD1-CD1 4.42Å; I456-L468 HydrophobicContact CG1-CD1 4.34Å; P461-L468 HydrophobicContact CB-CD2 3.72Å; P461-L468 HydrophobicContact CG-CD2 4.18Å; F464-L468 WeakPolarHBondContact O-CB 3.26Å; F464-L468 PolarHBondContact O-N 2.77Å; L468-S470 VanDerWaalsContact C-N 3.34Å; L468-S470 PolarHBondContact O-N 3.16Å; L468-T471 PolarHBondContact O-N 3.2Å; L468-Q472 WeakPolarHBondContact O-CG 3.24Å; L468-Q472 PolarHBondContact O-N 2.95Å
469K83.8Confident74.3Confident49 Ų4942.6 Ų42.621%0.21323%0.234CC..Hα-helixtrans-57.4-46.7177.3-168-168.1-65.8161.70111.6F165 M425 I426 S465 E466 T471 Q472 I473F165-K469 HydrophobicContact CE2-CG 3.67Å; F165-K469 HydrophobicContact CZ-CD 4.17Å; F165-K469 HydrophobicContact CZ-CG 3.53Å; M425-K469 PolarHBondContact O-NZ 2.82Å; I426-K469 HydrophobicContact CG1-CD 4.46Å; S465-K469 VanDerWaalsContact O-CB 3.31Å; S465-K469 WeakPolarHBondContact O-CB 3.23Å; S465-K469 PolarHBondContact O-N 3.43Å; E466-K469 PolarHBondContact O-N 2.89Å; E466-K469 IonicContact OE1-NZ 3.66Å; E466-K469 PolarHBondContact OE1-NZ 3Å; E466-K469 IonicContact OE2-NZ 2.75Å; E466-K469 PolarHBondContact OE2-NZ 3.03Å; K469-T471 VanDerWaalsContact C-N 3.32Å; K469-T471 PolarHBondContact O-N 2.72Å; K469-Q472 PolarHBondContact O-N 2.89Å; K469-I473 HydrophobicContact CG-CD1 4.14Å; K469-I473 WeakPolarHBondContact O-CD1 3.37Å; K469-I473 VanDerWaalsContact O-CG1 3.24Å; K469-I473 WeakPolarHBondContact O-CG1 3.49Å; K469-I473 PolarHBondContact O-N 3.42Å
470S81.3Confident73.5Confident0 Ų035.3 Ų35.30%020%0.204CC..Hα-helixtrans-63.9-38.7178.3-550000111.6E466 T467 L468 I473 A474E466-S470 VanDerWaalsContact O-CB 3.29Å; E466-S470 WeakPolarHBondContact O-CB 3.43Å; E466-S470 PolarHBondContact O-N 3.31Å; E466-S470 PolarHBondContact O-OG 3.27Å; T467-S470 PolarHBondContact O-N 3.35Å; L468-S470 VanDerWaalsContact C-N 3.34Å; L468-S470 PolarHBondContact O-N 3.16Å; S470-I473 PolarHBondContact O-N 3.28Å; S470-A474 WeakPolarHBondContact O-CB 3.39Å; S470-A474 PolarHBondContact O-N 3.44Å
471T77.6Confident72.5Confident3 Ų334.3 Ų34.32%0.01820%0.202CC..Hα-helixtrans-68.5-39.9176.7-47.80000111.5I399 L452 T467 L468 K469 A474 I475I399-T471 HydrophobicContact CG2-CG2 4Å; I399-T471 WeakPolarHBondContact CG2-OG1 3.25Å; L452-T471 HydrophobicContact CB-CG2 3.68Å; L452-T471 HydrophobicContact CD1-CG2 4.31Å; T467-T471 WeakPolarHBondContact O-CB 3.4Å; T467-T471 PolarHBondContact O-N 2.71Å; T467-T471 PolarHBondContact O-OG1 2.97Å; L468-T471 PolarHBondContact O-N 3.2Å; K469-T471 VanDerWaalsContact C-N 3.32Å; K469-T471 PolarHBondContact O-N 2.72Å; T471-A474 PolarHBondContact O-N 3.5Å; T471-I475 HydrophobicContact CG2-CD1 3.87Å; T471-I475 WeakPolarHBondContact O-CG1 3.33Å; T471-I475 PolarHBondContact O-N 3.33Å
472Q78.6Confident71.5Confident43 Ų4331.8 Ų31.820%0.20119%0.185CC..Hα-helixtrans-62.5-43.7174.9-73.3174.7-30.100111.6S164 F165 L452 L468 K469 I475 T476S164-Q472 PolarHBondContact OG-NE2 3.46Å; F165-Q472 HydrophobicContact CD2-CB 3.84Å; F165-Q472 HydrophobicContact CE2-CB 4.12Å; L452-Q472 HydrophobicContact CD1-CB 4.35Å; L452-Q472 HydrophobicContact CD1-CG 3.53Å; L468-Q472 WeakPolarHBondContact O-CG 3.24Å; L468-Q472 PolarHBondContact O-N 2.95Å; K469-Q472 PolarHBondContact O-N 2.89Å; Q472-I475 PolarHBondContact O-N 3.05Å; Q472-T476 WeakPolarHBondContact O-CB 3.33Å; Q472-T476 PolarHBondContact O-N 2.92Å; Q472-T476 PolarHBondContact O-OG1 3.06Å
473I78.8Confident70.5Confident0 Ų028.7 Ų28.70%016%0.16CC..Hα-helixtrans-60.5-47.4175.4-67.8160.6000110.5F165 I188 F396 F423 M425 I426 K469 S470 I475 T476 N477F165-I473 HydrophobicContact CD2-CG1 3.86Å; F165-I473 HydrophobicContact CE1-CG1 4.4Å; F165-I473 HydrophobicContact CE2-CD1 4.22Å; F165-I473 HydrophobicContact CE2-CG1 3.68Å; F165-I473 HydrophobicContact CG-CG1 4.3Å; F165-I473 HydrophobicContact CZ-CD1 4.14Å; F165-I473 HydrophobicContact CZ-CG1 3.96Å; I188-I473 HydrophobicContact CD1-CB 4.31Å; I188-I473 HydrophobicContact CD1-CG1 4.34Å; I188-I473 HydrophobicContact CD1-CG2 4.06Å; F396-I473 HydrophobicContact CE1-CG2 4.36Å; F396-I473 HydrophobicContact CE2-CG2 4.06Å; F396-I473 HydrophobicContact CZ-CB 4.27Å; F396-I473 HydrophobicContact CZ-CG2 3.58Å; F423-I473 HydrophobicContact CB-CD1 4.48Å; F423-I473 HydrophobicContact CD1-CG2 3.85Å; F423-I473 HydrophobicContact CD2-CG2 4.12Å; F423-I473 HydrophobicContact CE1-CG2 3.63Å; F423-I473 HydrophobicContact CE2-CG2 3.94Å; F423-I473 HydrophobicContact CG-CG2 4.08Å; F423-I473 HydrophobicContact CZ-CG2 3.67Å; M425-I473 HydrophobicContact CE-CD1 3.27Å; M425-I473 HydrophobicContact CE-CG1 3.63Å; I426-I473 HydrophobicContact CD1-CD1 3.74Å; I426-I473 HydrophobicContact CG1-CD1 3.86Å; K469-I473 HydrophobicContact CG-CD1 4.14Å; K469-I473 WeakPolarHBondContact O-CD1 3.37Å; K469-I473 VanDerWaalsContact O-CG1 3.24Å; K469-I473 WeakPolarHBondContact O-CG1 3.49Å; K469-I473 PolarHBondContact O-N 3.42Å; S470-I473 PolarHBondContact O-N 3.28Å; I473-I475 VanDerWaalsContact C-N 3.34Å; I473-I475 PolarHBondContact O-N 3.16Å; I473-T476 PolarHBondContact O-N 3.05Å; I473-N477 WeakPolarHBondContact O-CB 3.25Å; I473-N477 PolarHBondContact O-N 3.09Å
474A74.3Confident69.3Low25 Ų2524.9 Ų24.921%0.20714%0.136CC..Hα-helixtrans-60.8-40.6-179.100000112.8F396 S470 T471F396-A474 HydrophobicContact CB-CB 3.95Å; F396-A474 HydrophobicContact CD1-CB 4.23Å; F396-A474 HydrophobicContact CD2-CB 4.24Å; F396-A474 HydrophobicContact CG-CB 3.89Å; S470-A474 WeakPolarHBondContact O-CB 3.39Å; S470-A474 PolarHBondContact O-N 3.44Å; T471-A474 PolarHBondContact O-N 3.5Å
475I71.8Confident67.7Low100 Ų10025.8 Ų25.851%0.51314%0.141SC..Hα-helixtrans-77.7-32.1180-64.7163.6000111.8A450 L452 T471 Q472 I473A450-I475 HydrophobicContact CB-CD1 3.97Å; L452-I475 HydrophobicContact CB-CD1 4.04Å; L452-I475 HydrophobicContact CD1-CD1 3.88Å; L452-I475 HydrophobicContact CG-CD1 4.47Å; T471-I475 HydrophobicContact CG2-CD1 3.87Å; T471-I475 WeakPolarHBondContact O-CG1 3.33Å; T471-I475 PolarHBondContact O-N 3.33Å; Q472-I475 PolarHBondContact O-N 3.05Å; I473-I475 VanDerWaalsContact C-N 3.34Å; I473-I475 PolarHBondContact O-N 3.16Å
476T74.3Confident66.2Low44 Ų4431.7 Ų31.727%0.2716%0.163SC..Hα-helixtrans-79.4-23.5-177.4-58.50000111.7F165 A167 I188 Q472 I473 P478F165-T476 HydrophobicContact CB-CG2 4.09Å; A167-T476 HydrophobicContact CB-CG2 4.12Å; A167-T476 WeakPolarHBondContact CB-O 3.41Å; I188-T476 HydrophobicContact CD1-CG2 3.88Å; I188-T476 HydrophobicContact CG1-CG2 4.22Å; Q472-T476 WeakPolarHBondContact O-CB 3.33Å; Q472-T476 PolarHBondContact O-N 2.92Å; Q472-T476 PolarHBondContact O-OG1 3.06Å; I473-T476 PolarHBondContact O-N 3.05Å; T476-P478 VanDerWaalsContact O-CD 3.28Å; T476-P478 WeakPolarHBondContact O-CD 3.28Å
477N70Confident64.9Low11 Ų1137.9 Ų37.96%0.05919%0.187CC..SBendtrans-80.1113.2178.5-169.16.9000111.1A189 L393 I473 M479A189-N477 WeakPolarHBondContact CB-OD1 3.45Å; L393-N477 HydrophobicContact CD2-CB 4.16Å; I473-N477 WeakPolarHBondContact O-CB 3.25Å; I473-N477 PolarHBondContact O-N 3.09Å; N477-M479 PolarHBondContact O-N 2.95Å
478P53.8Low63.5Low17 Ų1738.5 Ų38.511%0.1119%0.19CC..  trans-66120.8-178.426-33.9000111.4A167 T191 T476 T480A167-P478 HydrophobicContact CB-CG 4.45Å; T191-P478 HydrophobicContact CG2-CG 3.82Å; T476-P478 VanDerWaalsContact O-CD 3.28Å; T476-P478 WeakPolarHBondContact O-CD 3.28Å; P478-T480 PolarHBondContact O-N 3.05Å
479M51.6Low62.3Low65 Ų6539.6 Ų39.632%0.3220%0.199SC..  trans-60.9-38.4-175-73.9-77.8-54.800113.5L393 N477L393-M479 HydrophobicContact CB-CE 4.08Å; L393-M479 HydrophobicContact CB-SD 3.5Å; L393-M479 WeakPolarHBondContact CB-SD 3.38Å; L393-M479 HydrophobicContact CD1-CB 4.25Å; L393-M479 HydrophobicContact CD1-CE 4.1Å; L393-M479 HydrophobicContact CD1-CG 4.01Å; L393-M479 HydrophobicContact CD1-SD 3.15Å; L393-M479 WeakPolarHBondContact CD1-SD 3.43Å; L393-M479 HydrophobicContact CD2-SD 3.9Å; L393-M479 HydrophobicContact CG-SD 3.64Å; N477-M479 PolarHBondContact O-N 2.95Å
480T49.8Very low61Low24 Ų2439.7 Ų39.715%0.14720%0.204CC..  trans-149.2157.4-177.171.80000113.3L331 P478 A482 E483L331-T480 HydrophobicContact CB-CG2 4.03Å; L331-T480 HydrophobicContact CD1-CG2 4.47Å; L331-T480 HydrophobicContact CD2-CG2 3.95Å; L331-T480 HydrophobicContact CG-CG2 4.36Å; L331-T480 PolarHBondContact O-OG1 2.81Å; P478-T480 PolarHBondContact O-N 3.05Å; T480-A482 PolarHBondContact O-N 3.33Å; T480-A482 WeakPolarHBondContact OG1-CB 3.3Å; T480-A482 PolarHBondContact OG1-N 3.39Å; T480-E483 PolarHBondContact O-N 3.48Å
481S47.1Very low60Low31 Ų3142 Ų4222%0.21722%0.216CC..Hα-helixtrans-57.5-15.5169.457.40000113.8N221 S484 E485N221-S481 WeakPolarHBondContact ND2-CB 3.15Å; N221-S481 WeakPolarHBondContact OD1-CB 3.5Å; N221-S481 PolarHBondContact OD1-OG 3.31Å; S481-S484 WeakPolarHBondContact O-CB 3.43Å; S481-S484 PolarHBondContact O-N 3.39Å; S481-S484 PolarHBondContact O-OG 2.97Å; S481-E485 WeakPolarHBondContact O-CG 3.45Å; S481-E485 PolarHBondContact O-N 3.11Å
482A46Very low59.1Low2 Ų245.6 Ų45.62%0.01723%0.231CC..Hα-helixtrans-79.4-24.9-171.700000112.6Y328 Q332 T480Y328-A482 HydrophobicContact CE1-CB 4.36Å; Y328-A482 HydrophobicContact CE2-CB 4.12Å; Q332-A482 HydrophobicContact CB-CB 4.3Å; Q332-A482 HydrophobicContact CG-CB 3.2Å; T480-A482 PolarHBondContact O-N 3.33Å; T480-A482 WeakPolarHBondContact OG1-CB 3.3Å; T480-A482 PolarHBondContact OG1-N 3.39Å
483E48Very low58.2Low33 Ų3350.7 Ų50.715%0.15425%0.252CS..Hα-helixtrans-65-47.2163.9-66.9-173.2147.400110.5C334 T480 E485 K486 Y487C334-E483 WeakPolarHBondContact CA-OE1 3.29Å; C334-E483 WeakPolarHBondContact CB-OE1 3.14Å; C334-E483 PolarHBondContact SG-OE1 3.3Å; T480-E483 PolarHBondContact O-N 3.48Å; E483-E485 PolarHBondContact O-N 3.09Å; E483-K486 WeakPolarHBondContact O-CB 3.39Å; E483-K486 PolarHBondContact O-N 2.93Å; E483-Y487 HydrophobicContact CB-CE2 4.39Å; E483-Y487 WeakPolarHBondContact O-CD2 3.22Å; E483-Y487 PolarHBondContact O-N 2.9Å
484S50.5Low57.2Low0 Ų051.5 Ų51.50%026%0.257CS..Hα-helixtrans-58.5-34.8177.682.30000111.8S481 K486 Y487 F488S481-S484 WeakPolarHBondContact O-CB 3.43Å; S481-S484 PolarHBondContact O-N 3.39Å; S481-S484 PolarHBondContact O-OG 2.97Å; S484-K486 VanDerWaalsContact C-N 3.33Å; S484-K486 PolarHBondContact O-N 3.07Å; S484-Y487 PolarHBondContact O-N 2.89Å; S484-F488 VanDerWaalsContact C-CD2 3.48Å; S484-F488 WeakPolarHBondContact O-CB 3.41Å; S484-F488 WeakPolarHBondContact O-CD2 3.49Å; S484-F488 VanDerWaalsContact O-CG 3.27Å; S484-F488 WeakPolarHBondContact O-CG 3.23Å; S484-F488 PolarHBondContact O-N 3.44Å
485E48.8Very low56.4Low34 Ų3454.9 Ų54.916%0.15927%0.267CS..Hα-helixtrans-63.5-33.6175.4-75.9-170.1176.500113.9Y328 S481 E483 S489Y328-E485 PolarHBondContact OH-OE1 2.85Å; Y328-E485 VanDerWaalsContact OH-OE1 3.1Å; Y328-E485 PolarHBondContact OH-OE2 3.11Å; S481-E485 WeakPolarHBondContact O-CG 3.45Å; S481-E485 PolarHBondContact O-N 3.11Å; E483-E485 PolarHBondContact O-N 3.09Å; E485-S489 WeakPolarHBondContact O-CB 3.46Å; E485-S489 PolarHBondContact O-N 3.4Å
486K53.9Low55.5Low151 Ų15154.6 Ų54.666%0.65727%0.274SS*.Hα-helixtrans-65.2-48.1174.9-174.6-175.4176.5-172.20109.7E483 S484 S489 T490E483-K486 WeakPolarHBondContact O-CB 3.39Å; E483-K486 PolarHBondContact O-N 2.93Å; S484-K486 VanDerWaalsContact C-N 3.33Å; S484-K486 PolarHBondContact O-N 3.07Å; K486-S489 PolarHBondContact O-N 3.09Å; K486-T490 PolarHBondContact O-N 3.39Å; K486-T490 VanDerWaalsContact O-N 3.12Å; K486-T490 PolarHBondContact O-OG1 3.38Å
487Y57.2Low54.4Low146 Ų14659 Ų5957%0.57329%0.289SS*.Hα-helixtrans-64.1-44.6178-61.6-69.4000111.8E483 S484 S489 T490 L491E483-Y487 HydrophobicContact CB-CE2 4.39Å; E483-Y487 WeakPolarHBondContact O-CD2 3.22Å; E483-Y487 PolarHBondContact O-N 2.9Å; S484-Y487 PolarHBondContact O-N 2.89Å; Y487-S489 PolarHBondContact O-N 3.3Å; Y487-T490 PolarHBondContact O-N 3.41Å; Y487-L491 WeakPolarHBondContact O-CB 3.47Å; Y487-L491 PolarHBondContact O-N 3.31Å
488F55Low53.3Low13 Ų1359.5 Ų59.56%0.05729%0.292CS..Hα-helixtrans-69.7-30177.5-64.8-47.1000113.5Q169 A170 D171 D193 S484 L491 K492Q169-F488 HydrophobicContact CB-CZ 4.27Å; A170-F488 VanDerWaalsContact C-CZ 3.43Å; D171-F488 HydrophobicContact CB-CD1 3.72Å; D171-F488 HydrophobicContact CB-CE1 3.6Å; D171-F488 HydrophobicContact CB-CG 4.33Å; D171-F488 HydrophobicContact CB-CZ 4.07Å; D193-F488 HydrophobicContact CB-CD2 3.76Å; D193-F488 HydrophobicContact CB-CE2 3.67Å; S484-F488 VanDerWaalsContact C-CD2 3.48Å; S484-F488 WeakPolarHBondContact O-CB 3.41Å; S484-F488 WeakPolarHBondContact O-CD2 3.49Å; S484-F488 VanDerWaalsContact O-CG 3.27Å; S484-F488 WeakPolarHBondContact O-CG 3.23Å; S484-F488 PolarHBondContact O-N 3.44Å; F488-L491 HydrophobicContact CD1-CD2 4.26Å; F488-L491 PolarHBondContact O-N 3.12Å; F488-K492 VanDerWaalsContact O-CB 3.29Å; F488-K492 WeakPolarHBondContact O-CB 3.43Å; F488-K492 VanDerWaalsContact O-CG 3.26Å; F488-K492 WeakPolarHBondContact O-CG 3.37Å; F488-K492 PolarHBondContact O-N 2.76Å
489S55.6Low52.9Low40 Ų4068.4 Ų68.428%0.2832%0.323SS..Hα-helixtrans-65.9-45.8172.8-175.30000111E485 K486 Y487 K492 K493E485-S489 WeakPolarHBondContact O-CB 3.46Å; E485-S489 PolarHBondContact O-N 3.4Å; K486-S489 PolarHBondContact O-N 3.09Å; Y487-S489 PolarHBondContact O-N 3.3Å; S489-K492 PolarHBondContact O-N 3.23Å; S489-K493 WeakPolarHBondContact O-CG 3.16Å; S489-K493 PolarHBondContact O-N 2.74Å
490T57.3Low52.6Low52 Ų5268.8 Ų68.832%0.31933%0.333SS..Hα-helixtrans-61.3-45.6173.2-560000110.6K486 Y487 K492 K493 I494 F514K486-T490 PolarHBondContact O-N 3.39Å; K486-T490 VanDerWaalsContact O-N 3.12Å; K486-T490 PolarHBondContact O-OG1 3.38Å; Y487-T490 PolarHBondContact O-N 3.41Å; T490-K492 VanDerWaalsContact C-N 3.34Å; T490-K492 PolarHBondContact O-N 3.12Å; T490-K493 WeakPolarHBondContact O-CB 3.32Å; T490-K493 PolarHBondContact O-N 2.95Å; T490-I494 HydrophobicContact CG2-CD1 4.03Å; T490-I494 VanDerWaalsContact O-CG1 3.3Å; T490-I494 WeakPolarHBondContact O-CG1 3.34Å; T490-I494 PolarHBondContact O-N 3.45Å; T490-F514 HydrophobicContact CG2-CE1 4.02Å
491L60.2Low52.4Low48 Ų4878 Ų7825%0.25137%0.366SS..Hα-helixtrans-60.9-39.8176.7-170.769000112.6Y487 F488 I494 K495Y487-L491 WeakPolarHBondContact O-CB 3.47Å; Y487-L491 PolarHBondContact O-N 3.31Å; F488-L491 HydrophobicContact CD1-CD2 4.26Å; F488-L491 PolarHBondContact O-N 3.12Å; L491-I494 PolarHBondContact O-N 2.92Å; L491-K495 HydrophobicContact CG-CD 4.34Å; L491-K495 WeakPolarHBondContact O-CB 3.39Å; L491-K495 WeakPolarHBondContact O-CG 3.47Å; L491-K495 PolarHBondContact O-N 2.86Å
492K59.3Low52.8Low79 Ų7979.3 Ų79.334%0.34337%0.37SS..Hα-helixtrans-66.7-38.9175.9-79.3167.7-176.9160.60111.3D171 D193 F488 S489 T490 K495 S496D171-K492 IonicContact OD1-NZ 3.97Å; D171-K492 PolarHBondContact OD1-NZ 3.41Å; D171-K492 WeakPolarHBondContact OD2-CE 3.47Å; D171-K492 IonicContact OD2-NZ 3.61Å; D171-K492 PolarHBondContact OD2-NZ 3.27Å; D193-K492 IonicContact OD2-NZ 3.35Å; F488-K492 VanDerWaalsContact O-CB 3.29Å; F488-K492 WeakPolarHBondContact O-CB 3.43Å; F488-K492 VanDerWaalsContact O-CG 3.26Å; F488-K492 WeakPolarHBondContact O-CG 3.37Å; F488-K492 PolarHBondContact O-N 2.76Å; S489-K492 PolarHBondContact O-N 3.23Å; T490-K492 VanDerWaalsContact C-N 3.34Å; T490-K492 PolarHBondContact O-N 3.12Å; K492-K495 PolarHBondContact O-N 3.17Å; K492-S496 VanDerWaalsContact O-CB 3.24Å; K492-S496 WeakPolarHBondContact O-CB 3.34Å; K492-S496 PolarHBondContact O-N 3.29Å; K492-S496 PolarHBondContact O-OG 3.43Å
493K58.7Low53.5Low149 Ų14981.7 Ų81.765%0.64839%0.394SS*.Hα-helixtrans-61.5-47.1171.9-71.5176.5-178.7-177.80111.7S489 T490 S496 F497S489-K493 WeakPolarHBondContact O-CG 3.16Å; S489-K493 PolarHBondContact O-N 2.74Å; T490-K493 WeakPolarHBondContact O-CB 3.32Å; T490-K493 PolarHBondContact O-N 2.95Å; K493-S496 PolarHBondContact O-N 3.12Å; K493-F497 WeakPolarHBondContact O-CB 3.37Å; K493-F497 PolarHBondContact O-N 3.39Å
494I58.4Low54.2Low17 Ų1786.1 Ų86.19%0.08742%0.415CS..Hα-helixtrans-59.9-50176.8-66.8168.7000110.5T490 L491 L498 L507 A511 F514 I515T490-I494 HydrophobicContact CG2-CD1 4.03Å; T490-I494 VanDerWaalsContact O-CG1 3.3Å; T490-I494 WeakPolarHBondContact O-CG1 3.34Å; T490-I494 PolarHBondContact O-N 3.45Å; L491-I494 PolarHBondContact O-N 2.92Å; I494-L498 HydrophobicContact CG2-CD1 3.71Å; I494-L498 VanDerWaalsContact O-CB 3.25Å; I494-L498 WeakPolarHBondContact O-CB 3.48Å; I494-L498 WeakPolarHBondContact O-CG 3.36Å; I494-L498 PolarHBondContact O-N 3.1Å; I494-L507 HydrophobicContact CG2-CD1 4.25Å; I494-A511 HydrophobicContact CG2-CB 3.67Å; I494-F514 HydrophobicContact CD1-CD1 3.85Å; I494-F514 HydrophobicContact CD1-CE1 4.36Å; I494-F514 HydrophobicContact CG1-CD1 4.45Å; I494-I515 HydrophobicContact CD1-CD1 4.26Å; I494-I515 HydrophobicContact CD1-CG1 4.15Å
495K56.8Low54.9Low96 Ų9691.7 Ų91.742%0.41744%0.441SS..Hα-helixtrans-61.9-49.2177.8-76.5179.9178.1177.90111.5L491 K492 F497 R499L491-K495 HydrophobicContact CG-CD 4.34Å; L491-K495 WeakPolarHBondContact O-CB 3.39Å; L491-K495 WeakPolarHBondContact O-CG 3.47Å; L491-K495 PolarHBondContact O-N 2.86Å; K492-K495 PolarHBondContact O-N 3.17Å; K495-F497 PolarHBondContact O-N 2.96Å; K495-R499 WeakPolarHBondContact O-CA 3.25Å; K495-R499 WeakPolarHBondContact O-CB 3.43Å; K495-R499 PolarHBondContact O-N 3.09Å
496S54.3Low56Low95 Ų9590.7 Ų90.766%0.66444%0.436SS*.Hα-helixtrans-67.4-36.5-178-71.80000113.2K492 K493K492-S496 VanDerWaalsContact O-CB 3.24Å; K492-S496 WeakPolarHBondContact O-CB 3.34Å; K492-S496 PolarHBondContact O-N 3.29Å; K492-S496 PolarHBondContact O-OG 3.43Å; K493-S496 PolarHBondContact O-N 3.12Å
497F49.7Very low56.8Low135 Ų13584 Ų8459%0.59241%0.407SS*.Hα-helixtrans-73.8-36.2179.2-174.5-106.2000112.4K493 K495 S500K493-F497 WeakPolarHBondContact O-CB 3.37Å; K493-F497 PolarHBondContact O-N 3.39Å; K495-F497 PolarHBondContact O-N 2.96Å; F497-S500 PolarHBondContact O-OG 3.46Å
498L46.5Very low57.4Low23 Ų2380.5 Ų80.512%0.1240%0.398CS..Hα-helixtrans-100.3-22.3-173.4-60.6171.4000114.5I494 S500 Y501 M502 L507I494-L498 HydrophobicContact CG2-CD1 3.71Å; I494-L498 VanDerWaalsContact O-CB 3.25Å; I494-L498 WeakPolarHBondContact O-CB 3.48Å; I494-L498 WeakPolarHBondContact O-CG 3.36Å; I494-L498 PolarHBondContact O-N 3.1Å; L498-S500 PolarHBondContact O-N 3.15Å; L498-Y501 PolarHBondContact O-N 2.87Å; L498-M502 HydrophobicContact CD2-CE 4.34Å; L498-M502 WeakPolarHBondContact O-CB 3.44Å; L498-M502 PolarHBondContact O-N 3.22Å; L498-L507 HydrophobicContact CB-CD1 3.32Å; L498-L507 HydrophobicContact CD1-CD1 3.27Å; L498-L507 HydrophobicContact CG-CD1 3.91Å
499R47.3Very low58.2Low203 Ų20379.9 Ų79.977%0.76640%0.396SS*.THydrogen-bonded Turntrans-71.9-15.5-179.8-166.8175.9105.2157.36.2113.2K495 Y501K495-R499 WeakPolarHBondContact O-CA 3.25Å; K495-R499 WeakPolarHBondContact O-CB 3.43Å; K495-R499 PolarHBondContact O-N 3.09Å; R499-Y501 VanDerWaalsContact C-N 3.32Å; R499-Y501 PolarHBondContact O-N 2.88Å
500S44.7Very low59.1Low74 Ų7478.2 Ų78.252%0.51738%0.384SS..THydrogen-bonded Turntrans-75-14.6177.743.70000114F497 L498F497-S500 PolarHBondContact O-OG 3.46Å; L498-S500 PolarHBondContact O-N 3.15Å
501Y44.3Very low59.7Low216 Ų21676.3 Ų76.385%0.84737%0.373SS*.THydrogen-bonded Turntrans-1478-172.1-73.4-83.5000116.9L498 R499L498-Y501 PolarHBondContact O-N 2.87Å; R499-Y501 VanDerWaalsContact C-N 3.32Å; R499-Y501 PolarHBondContact O-N 2.88Å
502M56.8Low60.4Low59 Ų5975.5 Ų75.529%0.29137%0.371SS..  trans-143.4148.9-165.1-153.4170.9-62.900115.8L498 R506 L510L498-M502 HydrophobicContact CD2-CE 4.34Å; L498-M502 WeakPolarHBondContact O-CB 3.44Å; L498-M502 PolarHBondContact O-N 3.22Å; M502-R506 HydrophobicContact CG-CB 4.11Å; M502-R506 HydrophobicContact CG-CG 4.16Å; M502-R506 HydrophobicContact SD-CB 4.01Å; M502-R506 WeakPolarHBondContact SD-CD 3.08Å; M502-R506 HydrophobicContact SD-CG 3.51Å; M502-R506 VanDerWaalsContact SD-CG 3.51Å; M502-R506 PolarHBondContact SD-NE 3.37Å; M502-L510 HydrophobicContact CE-CD1 4.06Å; M502-L510 HydrophobicContact SD-CD1 3.65Å
503G59.8Low61.1Low52 Ų5271.9 Ų71.954%0.53636%0.355SS..  trans-72.8153.817300000113.5E505 R506 L507G503-E505 PolarHBondContact O-N 2.81Å; G503-R506 PolarHBondContact O-N 2.98Å; G503-L507 PolarHBondContact O-N 3.31Å; G503-L507 VanDerWaalsContact O-N 3.15Å
504Q62.7Low61.8Low126 Ų12667.9 Ų67.959%0.58934%0.338SS*.Hα-helixtrans-60.6-40.1-166.9-169.862.144.900114.8L507 N508Q504-L507 WeakPolarHBondContact O-CB 3.28Å; Q504-L507 PolarHBondContact O-N 3.34Å; Q504-N508 PolarHBondContact NE2-OD1 3.25Å; Q504-N508 VanDerWaalsContact O-CG 3.22Å; Q504-N508 PolarHBondContact O-N 3.14Å; Q504-N508 PolarHBondContact O-OD1 3.34Å
505E66Low62.5Low118 Ų11871.3 Ų71.355%0.55136%0.355SS*.Hα-helixtrans-72.9-40.1-177.5-63.7-171.715400113.1Y146 G503 L507 N508 A509Y146-E505 HydrophobicContact CE1-CB 3.61Å; Y146-E505 PolarHBondContact OH-OE2 3.15Å; G503-E505 PolarHBondContact O-N 2.81Å; E505-L507 VanDerWaalsContact C-N 3.27Å; E505-L507 PolarHBondContact O-N 3.1Å; E505-N508 PolarHBondContact O-N 3.15Å; E505-A509 PolarHBondContact O-N 2.88Å
506R72Confident63.3Low13 Ų1369.8 Ų69.85%0.04935%0.349CS..Hα-helixtrans-64.5-37.9175-174-178.1166.398.73.7110.6N142 L145 M502 G503 A509 L510N142-R506 WeakPolarHBondContact OD1-CD 3.25Å; N142-R506 PolarHBondContact OD1-NH1 3.19Å; L145-R506 HydrophobicContact CD1-CG 4.12Å; M502-R506 HydrophobicContact CG-CB 4.11Å; M502-R506 HydrophobicContact CG-CG 4.16Å; M502-R506 HydrophobicContact SD-CB 4.01Å; M502-R506 WeakPolarHBondContact SD-CD 3.08Å; M502-R506 HydrophobicContact SD-CG 3.51Å; M502-R506 VanDerWaalsContact SD-CG 3.51Å; M502-R506 PolarHBondContact SD-NE 3.37Å; G503-R506 PolarHBondContact O-N 2.98Å; R506-A509 PolarHBondContact O-N 3.47Å; R506-L510 HydrophobicContact CG-CD1 4.16Å; R506-L510 HydrophobicContact CG-CG 4.43Å; R506-L510 VanDerWaalsContact O-CG 3.29Å; R506-L510 WeakPolarHBondContact O-CG 3.43Å; R506-L510 PolarHBondContact O-N 3.29Å
507L69.6Low64.2Low10 Ų1068.4 Ų68.45%0.05233%0.332CS..Hα-helixtrans-57.4-49.3171.8169.857.2000111I494 L498 G503 Q504 E505 A509 L510 A511I494-L507 HydrophobicContact CG2-CD1 4.25Å; L498-L507 HydrophobicContact CB-CD1 3.32Å; L498-L507 HydrophobicContact CD1-CD1 3.27Å; L498-L507 HydrophobicContact CG-CD1 3.91Å; G503-L507 PolarHBondContact O-N 3.31Å; G503-L507 VanDerWaalsContact O-N 3.15Å; Q504-L507 WeakPolarHBondContact O-CB 3.28Å; Q504-L507 PolarHBondContact O-N 3.34Å; E505-L507 VanDerWaalsContact C-N 3.27Å; E505-L507 PolarHBondContact O-N 3.1Å; L507-A509 PolarHBondContact O-N 3.01Å; L507-L510 PolarHBondContact O-N 3.29Å; L507-A511 VanDerWaalsContact O-CB 3.22Å; L507-A511 WeakPolarHBondContact O-CB 3.41Å; L507-A511 PolarHBondContact O-N 3.22Å
508N69.6Low65.4Low72 Ų7267.3 Ų67.339%0.38533%0.329SS..Hα-helixtrans-59.9-47.4178.2-66.8-8.4000111.3Q504 E505 L510 A511 T512Q504-N508 PolarHBondContact NE2-OD1 3.25Å; Q504-N508 VanDerWaalsContact O-CG 3.22Å; Q504-N508 PolarHBondContact O-N 3.14Å; Q504-N508 PolarHBondContact O-OD1 3.34Å; E505-N508 PolarHBondContact O-N 3.15Å; N508-L510 PolarHBondContact O-N 3.23Å; N508-A511 PolarHBondContact O-N 2.95Å; N508-T512 WeakPolarHBondContact O-CB 3.28Å; N508-T512 PolarHBondContact O-N 2.91Å; N508-T512 PolarHBondContact O-OG1 2.87Å
509A72.6Confident66.8Low1 Ų166.9 Ų66.91%0.00833%0.327CS..Hα-helixtrans-57.6-4617800000112.9L145 L149 E505 R506 L507 L513L145-A509 HydrophobicContact CB-CB 4.15Å; L149-A509 HydrophobicContact CB-CB 4.04Å; L149-A509 HydrophobicContact CD2-CB 4.12Å; E505-A509 PolarHBondContact O-N 2.88Å; R506-A509 PolarHBondContact O-N 3.47Å; L507-A509 PolarHBondContact O-N 3.01Å; A509-L513 WeakPolarHBondContact O-CB 3.32Å; A509-L513 WeakPolarHBondContact O-CG 3.4Å; A509-L513 PolarHBondContact O-N 3.36Å
510L73.5Confident67.8Low4 Ų458 Ų582%0.02130%0.295CS..Hα-helixtrans-71-35.9179.2-65177.4000112.7L94 L145 M502 R506 L507 N508 L513 F514L94-L510 HydrophobicContact CD1-CD2 3.72Å; L145-L510 HydrophobicContact CD1-CD2 3.94Å; L145-L510 HydrophobicContact CD1-CG 4.46Å; L145-L510 HydrophobicContact CD2-CD2 3.75Å; M502-L510 HydrophobicContact CE-CD1 4.06Å; M502-L510 HydrophobicContact SD-CD1 3.65Å; R506-L510 HydrophobicContact CG-CD1 4.16Å; R506-L510 HydrophobicContact CG-CG 4.43Å; R506-L510 VanDerWaalsContact O-CG 3.29Å; R506-L510 WeakPolarHBondContact O-CG 3.43Å; R506-L510 PolarHBondContact O-N 3.29Å; L507-L510 PolarHBondContact O-N 3.29Å; N508-L510 PolarHBondContact O-N 3.23Å; L510-L513 HydrophobicContact CD2-CD1 4.47Å; L510-F514 WeakPolarHBondContact O-CB 3.31Å; L510-F514 PolarHBondContact O-N 3.31Å; L510-F514 VanDerWaalsContact O-N 3.11Å
511A71.9Confident69.1Low12 Ų1261.4 Ų61.410%0.09930%0.302CS..Hα-helixtrans-65.8-46.7175.800000111.1I494 L507 N508 L513 F514 I515I494-A511 HydrophobicContact CG2-CB 3.67Å; L507-A511 VanDerWaalsContact O-CB 3.22Å; L507-A511 WeakPolarHBondContact O-CB 3.41Å; L507-A511 PolarHBondContact O-N 3.22Å; N508-A511 PolarHBondContact O-N 2.95Å; A511-L513 PolarHBondContact O-N 2.87Å; A511-F514 PolarHBondContact O-N 2.91Å; A511-I515 WeakPolarHBondContact O-CB 3.35Å; A511-I515 VanDerWaalsContact O-CG1 3.25Å; A511-I515 WeakPolarHBondContact O-CG1 3.39Å; A511-I515 PolarHBondContact O-N 3.42Å
512T73.5Confident70.7Confident32 Ų3260 Ų6020%0.19630%0.295CS..Hα-helixtrans-60.7-45.3176.2-600000111L149 Y152 I156 N508 F514 I515 E516L149-T512 HydrophobicContact CD1-CG2 4.23Å; Y152-T512 HydrophobicContact CD1-CG2 4.22Å; Y152-T512 HydrophobicContact CD2-CG2 4.24Å; Y152-T512 HydrophobicContact CG-CG2 3.92Å; I156-T512 HydrophobicContact CD1-CG2 4.44Å; N508-T512 WeakPolarHBondContact O-CB 3.28Å; N508-T512 PolarHBondContact O-N 2.91Å; N508-T512 PolarHBondContact O-OG1 2.87Å; T512-F514 VanDerWaalsContact C-N 3.26Å; T512-F514 PolarHBondContact O-N 3.4Å; T512-I515 PolarHBondContact O-N 3.37Å; T512-E516 HydrophobicContact CG2-CG 4.23Å; T512-E516 VanDerWaalsContact O-CB 3.3Å; T512-E516 WeakPolarHBondContact O-CB 3.33Å; T512-E516 PolarHBondContact O-N 2.96Å
513L73.6Confident71.7Confident3 Ų358.7 Ų58.72%0.01629%0.29CS..Hα-helixtrans-57.2-37.7175.3-89.8162.8000113.7R88 L145 I148 Y152 A509 L510 A511 Q517 I520R88-L513 HydrophobicContact CG-CB 4.09Å; R88-L513 HydrophobicContact CG-CD1 4.16Å; L145-L513 HydrophobicContact CD2-CD1 3.56Å; I148-L513 HydrophobicContact CG2-CD1 3.89Å; I148-L513 HydrophobicContact CG2-CD2 3.76Å; I148-L513 HydrophobicContact CG2-CG 3.82Å; Y152-L513 HydrophobicContact CE2-CD2 3.6Å; Y152-L513 HydrophobicContact CE2-CG 3.94Å; A509-L513 WeakPolarHBondContact O-CB 3.32Å; A509-L513 WeakPolarHBondContact O-CG 3.4Å; A509-L513 PolarHBondContact O-N 3.36Å; L510-L513 HydrophobicContact CD2-CD1 4.47Å; A511-L513 PolarHBondContact O-N 2.87Å; L513-Q517 PolarHBondContact O-N 3.33Å; L513-I520 HydrophobicContact CD2-CD1 3.71Å
514F74.6Confident72.4Confident65 Ų6562.6 Ų62.629%0.28531%0.305SS..Hα-helixtrans-75.7-43.3179.4-178.5-94.4000112D91 T490 I494 L510 A511 T512D91-F514 HydrophobicContact CB-CE2 4.35Å; T490-F514 HydrophobicContact CG2-CE1 4.02Å; I494-F514 HydrophobicContact CD1-CD1 3.85Å; I494-F514 HydrophobicContact CD1-CE1 4.36Å; I494-F514 HydrophobicContact CG1-CD1 4.45Å; L510-F514 WeakPolarHBondContact O-CB 3.31Å; L510-F514 PolarHBondContact O-N 3.31Å; L510-F514 VanDerWaalsContact O-N 3.11Å; A511-F514 PolarHBondContact O-N 2.91Å; T512-F514 VanDerWaalsContact C-N 3.26Å; T512-F514 PolarHBondContact O-N 3.4Å
515I71.9Confident73.4Confident88 Ų8859.2 Ų59.245%0.45129%0.291SS..Hα-helixtrans-68.9-44.2-179.3-65.9165.8000110.4I494 A511 T512I494-I515 HydrophobicContact CD1-CD1 4.26Å; I494-I515 HydrophobicContact CD1-CG1 4.15Å; A511-I515 WeakPolarHBondContact O-CB 3.35Å; A511-I515 VanDerWaalsContact O-CG1 3.25Å; A511-I515 WeakPolarHBondContact O-CG1 3.39Å; A511-I515 PolarHBondContact O-N 3.42Å; T512-I515 PolarHBondContact O-N 3.37Å
516E74.1Confident74.2Confident64 Ų6453.7 Ų53.730%0.29927%0.265SS..THydrogen-bonded Turntrans-101.329.5-172.2-57.2-61.2159.200112.8Y152 I156 T512 E518 L519 I520Y152-E516 HydrophobicContact CD1-CB 3.97Å; Y152-E516 HydrophobicContact CE1-CB 3.35Å; Y152-E516 HydrophobicContact CE1-CG 4.35Å; Y152-E516 WeakPolarHBondContact CE1-O 3.38Å; Y152-E516 PolarHBondContact OH-O 3.43Å; I156-E516 HydrophobicContact CD1-CG 4.27Å; T512-E516 HydrophobicContact CG2-CG 4.23Å; T512-E516 VanDerWaalsContact O-CB 3.3Å; T512-E516 WeakPolarHBondContact O-CB 3.33Å; T512-E516 PolarHBondContact O-N 2.96Å; E516-E518 VanDerWaalsContact C-N 3.29Å; E516-E518 PolarHBondContact O-N 2.76Å; E516-L519 HydrophobicContact CB-CB 4.35Å; E516-L519 WeakPolarHBondContact O-CB 3.35Å; E516-L519 PolarHBondContact O-N 2.89Å; E516-I520 PolarHBondContact O-N 2.83Å
517Q73.8Confident74.7Confident66 Ų6654 Ų5431%0.30827%0.268SS..Hα-helixtrans-63.4-34.8-179.364.2177.84.600112.6L513 L519 I520 Q521L513-Q517 PolarHBondContact O-N 3.33Å; Q517-L519 VanDerWaalsContact C-N 3.3Å; Q517-L519 PolarHBondContact O-N 3.43Å; Q517-I520 PolarHBondContact O-N 3.48Å; Q517-Q521 PolarHBondContact O-N 3.38Å
518E75.3Confident75.5Confident113 Ų11360.5 Ų60.553%0.52830%0.298SS..Hα-helixtrans-66.9-34177.9-70.5-171-167.900111.9E516 Q521 R522E516-E518 VanDerWaalsContact C-N 3.29Å; E516-E518 PolarHBondContact O-N 2.76Å; E518-Q521 PolarHBondContact O-N 3.08Å; E518-R522 WeakPolarHBondContact O-CG 3.42Å; E518-R522 PolarHBondContact O-N 3.19Å; E518-R522 IonicContact OE2-NH2 2.85Å; E518-R522 PolarHBondContact OE2-NH2 2.95Å
519L74.5Confident76.2Confident14 Ų1462.2 Ų62.27%0.07330%0.302CS..Hα-helixtrans-65.2-40.3178.8-173.6154.4000110.7Y152 K155 E159 E516 Q517 Q521 R522 L523Y152-L519 HydrophobicContact CD1-CD2 4.12Å; Y152-L519 HydrophobicContact CE1-CD2 3.95Å; K155-L519 HydrophobicContact CG-CD1 4.35Å; K155-L519 HydrophobicContact CG-CD2 3.95Å; E159-L519 WeakPolarHBondContact OE1-CD1 3.31Å; E516-L519 HydrophobicContact CB-CB 4.35Å; E516-L519 WeakPolarHBondContact O-CB 3.35Å; E516-L519 PolarHBondContact O-N 2.89Å; Q517-L519 VanDerWaalsContact C-N 3.3Å; Q517-L519 PolarHBondContact O-N 3.43Å; L519-Q521 PolarHBondContact O-N 2.96Å; L519-R522 PolarHBondContact O-N 3.41Å; L519-L523 HydrophobicContact CD2-CD1 3.63Å; L519-L523 HydrophobicContact CD2-CG 4.42Å; L519-L523 PolarHBondContact O-N 3.18Å
520I69.9Low76.8Confident16 Ų1662.9 Ų62.98%0.08231%0.306CS..Hα-helixtrans-60.3-44.6172.9-81.9178.9000111.5K85 Y152 L513 E516 Q517 R522 L523 F526K85-I520 HydrophobicContact CD-CG2 3.8Å; K85-I520 HydrophobicContact CG-CD1 4.45Å; K85-I520 HydrophobicContact CG-CG2 4.34Å; Y152-I520 HydrophobicContact CE1-CD1 4.37Å; Y152-I520 HydrophobicContact CE1-CG1 3.97Å; Y152-I520 HydrophobicContact CE2-CD1 3.53Å; Y152-I520 HydrophobicContact CE2-CG1 3.98Å; Y152-I520 WeakPolarHBondContact OH-CD1 3.41Å; Y152-I520 WeakPolarHBondContact OH-CG1 3.16Å; L513-I520 HydrophobicContact CD2-CD1 3.71Å; E516-I520 PolarHBondContact O-N 2.83Å; Q517-I520 PolarHBondContact O-N 3.48Å; I520-R522 PolarHBondContact O-N 2.98Å; I520-L523 PolarHBondContact O-N 3.15Å; I520-F526 HydrophobicContact CD1-CD1 4.35Å; I520-F526 HydrophobicContact CD1-CE1 3.76Å; I520-F526 HydrophobicContact CD1-CE2 4.09Å; I520-F526 HydrophobicContact CD1-CZ 3.62Å; I520-F526 HydrophobicContact CG1-CD1 4.32Å; I520-F526 HydrophobicContact CG1-CD2 3.97Å; I520-F526 HydrophobicContact CG1-CE1 4.1Å; I520-F526 HydrophobicContact CG1-CE2 3.75Å; I520-F526 HydrophobicContact CG1-CG 4.24Å; I520-F526 HydrophobicContact CG1-CZ 3.81Å; I520-F526 HydrophobicContact CG2-CD1 4.48Å
521Q72Confident77.2Confident146 Ų14665.7 Ų65.768%0.68232%0.321SS*.Hα-helixtrans-63.2-25.1-176.6-70.2-179.5-100112.3Q517 E518 L519Q517-Q521 PolarHBondContact O-N 3.38Å; E518-Q521 PolarHBondContact O-N 3.08Å; L519-Q521 PolarHBondContact O-N 2.96Å
522R78Confident77.5Confident186 Ų18668.4 Ų68.470%0.70233%0.332SS*.Hα-helixtrans-85.5-12.6176.9-63.4177.6-156.5169.68113.7E518 L519 I520 P524E518-R522 WeakPolarHBondContact O-CG 3.42Å; E518-R522 PolarHBondContact O-N 3.19Å; E518-R522 IonicContact OE2-NH2 2.85Å; E518-R522 PolarHBondContact OE2-NH2 2.95Å; L519-R522 PolarHBondContact O-N 3.41Å; I520-R522 PolarHBondContact O-N 2.98Å; R522-P524 WeakPolarHBondContact O-CD 3.48Å
523L77.8Confident77.7Confident32 Ų3270.3 Ų70.317%0.16834%0.339CS..  trans-99.4104.4-178.5-72.3175.7000111.2K155 L519 I520 D525 F526K155-L523 HydrophobicContact CG-CD1 4.29Å; L519-L523 HydrophobicContact CD2-CD1 3.63Å; L519-L523 HydrophobicContact CD2-CG 4.42Å; L519-L523 PolarHBondContact O-N 3.18Å; I520-L523 PolarHBondContact O-N 3.15Å; L523-D525 VanDerWaalsContact C-N 3.32Å; L523-D525 PolarHBondContact O-N 2.92Å; L523-F526 HydrophobicContact CB-CB 4.07Å; L523-F526 HydrophobicContact CD1-CD2 4.14Å
524P74.4Confident77.9Confident133 Ų13374.1 Ų74.186%0.86436%0.357SS*.THydrogen-bonded Turntrans-69.5-28.2-177.927.5-34.1000113.1R522R522-P524 WeakPolarHBondContact O-CD 3.48Å
525D83.3Confident78.1Confident55 Ų5574.6 Ų74.629%0.29436%0.361SS..THydrogen-bonded Turntrans-98.614.9-175.467-14.4000113.5L523 N527 E528 K529L523-D525 VanDerWaalsContact C-N 3.32Å; L523-D525 PolarHBondContact O-N 2.92Å; D525-N527 PolarHBondContact O-N 3.45Å; D525-E528 PolarHBondContact O-N 2.81Å; D525-K529 PolarHBondContact O-N 2.95Å; D525-K529 IonicContact OD1-NZ 2.64Å; D525-K529 PolarHBondContact OD1-NZ 3.2Å; D525-K529 WeakPolarHBondContact OD2-CE 3.22Å; D525-K529 IonicContact OD2-NZ 3.56Å; D525-K529 PolarHBondContact OD2-NZ 3.32Å
526F82.1Confident78.5Confident2 Ų273.8 Ų73.81%0.00936%0.355CS..Hα-helixtrans-60.4-44.5-173-177.9-93.3000113K85 I148 V151 Y152 I520 L523 E528 K529 V530K85-F526 VanDerWaalsContact CE-CD1 3.41Å; I148-F526 HydrophobicContact CG1-CE1 4.5Å; I148-F526 HydrophobicContact CG2-CZ 4.13Å; V151-F526 HydrophobicContact CB-CE2 4.39Å; V151-F526 HydrophobicContact CG1-CD2 4.06Å; V151-F526 HydrophobicContact CG1-CE2 3.78Å; Y152-F526 HydrophobicContact CD2-CE2 4.44Å; Y152-F526 HydrophobicContact CD2-CZ 4.36Å; Y152-F526 HydrophobicContact CE2-CE2 4.4Å; Y152-F526 HydrophobicContact CE2-CZ 4.15Å; I520-F526 HydrophobicContact CD1-CD1 4.35Å; I520-F526 HydrophobicContact CD1-CE1 3.76Å; I520-F526 HydrophobicContact CD1-CE2 4.09Å; I520-F526 HydrophobicContact CD1-CZ 3.62Å; I520-F526 HydrophobicContact CG1-CD1 4.32Å; I520-F526 HydrophobicContact CG1-CD2 3.97Å; I520-F526 HydrophobicContact CG1-CE1 4.1Å; I520-F526 HydrophobicContact CG1-CE2 3.75Å; I520-F526 HydrophobicContact CG1-CG 4.24Å; I520-F526 HydrophobicContact CG1-CZ 3.81Å; I520-F526 HydrophobicContact CG2-CD1 4.48Å; L523-F526 HydrophobicContact CB-CB 4.07Å; L523-F526 HydrophobicContact CD1-CD2 4.14Å; F526-E528 VanDerWaalsContact C-N 3.3Å; F526-E528 PolarHBondContact O-N 3Å; F526-K529 PolarHBondContact O-N 3.18Å; F526-V530 HydrophobicContact CD1-CG2 4.13Å; F526-V530 HydrophobicContact CE1-CG2 3.68Å; F526-V530 HydrophobicContact CE2-CG2 4.35Å; F526-V530 HydrophobicContact CZ-CG2 3.8Å; F526-V530 WeakPolarHBondContact O-CG2 3.07Å; F526-V530 PolarHBondContact O-N 3.32Å; F526-V530 VanDerWaalsContact O-N 3.17Å
527N83.6Confident78.8Confident19 Ų1974.4 Ų74.410%0.10236%0.359CS..Hα-helixtrans-64.6-38.6-179.9-72.6-5.4000111.1S78 L81 D82 K85 D525 K529 V530 I531S78-N527 PolarHBondContact OG-ND2 3.43Å; L81-N527 HydrophobicContact CD1-CB 4.22Å; D82-N527 PolarHBondContact OD1-ND2 2.94Å; K85-N527 WeakPolarHBondContact CE-OD1 3.24Å; K85-N527 PolarHBondContact NZ-OD1 3.16Å; D525-N527 PolarHBondContact O-N 3.45Å; N527-K529 VanDerWaalsContact C-N 3.32Å; N527-K529 PolarHBondContact O-N 3.36Å; N527-V530 PolarHBondContact O-N 3.19Å; N527-I531 HydrophobicContact CB-CD1 4.47Å; N527-I531 WeakPolarHBondContact O-CB 3.36Å; N527-I531 VanDerWaalsContact O-CD1 3.3Å; N527-I531 WeakPolarHBondContact O-CD1 3.26Å; N527-I531 WeakPolarHBondContact O-CG1 3.28Å; N527-I531 PolarHBondContact O-N 3.47Å; N527-I531 VanDerWaalsContact O-N 3.12Å
528E86.1Confident79.2Confident148 Ų14875 Ų7569%0.69236%0.363SS*.Hα-helixtrans-66.7-32.8177.7-60.9-174.4165.500112.6D525 F526 I531D525-E528 PolarHBondContact O-N 2.81Å; F526-E528 VanDerWaalsContact C-N 3.3Å; F526-E528 PolarHBondContact O-N 3Å; E528-I531 VanDerWaalsContact O-OXT 3.06Å
529K84.8Confident79.5Confident108 Ų10872.1 Ų72.147%0.4735%0.35SS..Hα-helixtrans-72.1-30175-76.6173.6172.4150.20113.4V151 D525 F526 N527V151-K529 HydrophobicContact CG1-CB 4.06Å; V151-K529 HydrophobicContact CG2-CB 4.25Å; D525-K529 PolarHBondContact O-N 2.95Å; D525-K529 IonicContact OD1-NZ 2.64Å; D525-K529 PolarHBondContact OD1-NZ 3.2Å; D525-K529 WeakPolarHBondContact OD2-CE 3.22Å; D525-K529 IonicContact OD2-NZ 3.56Å; D525-K529 PolarHBondContact OD2-NZ 3.32Å; F526-K529 PolarHBondContact O-N 3.18Å; N527-K529 VanDerWaalsContact C-N 3.32Å; N527-K529 PolarHBondContact O-N 3.36Å
530V84Confident79.9Confident14 Ų1476.9 Ų76.99%0.08537%0.373CS..Hα-helixtrans-80.5-29.3179.8174.40000111.9L81 C147 I148 V151 F526 N527L81-V530 HydrophobicContact CD1-CB 3.92Å; L81-V530 HydrophobicContact CD1-CG1 3.74Å; L81-V530 HydrophobicContact CD2-CG1 3.81Å; L81-V530 HydrophobicContact CG-CG1 4.45Å; C147-V530 HydrophobicContact CB-CG1 4Å; I148-V530 HydrophobicContact CG1-CG1 3.88Å; I148-V530 HydrophobicContact CG1-CG2 4.16Å; V151-V530 HydrophobicContact CB-CG2 4.22Å; V151-V530 HydrophobicContact CG1-CG2 4.49Å; V151-V530 HydrophobicContact CG2-CG2 3.84Å; F526-V530 HydrophobicContact CD1-CG2 4.13Å; F526-V530 HydrophobicContact CE1-CG2 3.68Å; F526-V530 HydrophobicContact CE2-CG2 4.35Å; F526-V530 HydrophobicContact CZ-CG2 3.8Å; F526-V530 WeakPolarHBondContact O-CG2 3.07Å; F526-V530 PolarHBondContact O-N 3.32Å; F526-V530 VanDerWaalsContact O-N 3.17Å; N527-V530 PolarHBondContact O-N 3.19Å
531I82.5Confident80.8Confident64 Ų6482.5 Ų82.533%0.32840%0.399SS..  trans-91.80-176.1-64.6166.3000111.4R74 L77 L81 N527 E528R74-I531 HydrophobicContact CB-CG2 3.98Å; R74-I531 HydrophobicContact CG-CG2 3.58Å; R74-I531 WeakPolarHBondContact O-CD1 3.16Å; L77-I531 HydrophobicContact CB-CD1 3.93Å; L77-I531 HydrophobicContact CB-CG1 3.99Å; L77-I531 HydrophobicContact CD1-CG2 4.18Å; L81-I531 HydrophobicContact CD1-CD1 4.05Å; L81-I531 HydrophobicContact CD1-CG1 3.85Å; N527-I531 HydrophobicContact CB-CD1 4.47Å; N527-I531 WeakPolarHBondContact O-CB 3.36Å; N527-I531 VanDerWaalsContact O-CD1 3.3Å; N527-I531 WeakPolarHBondContact O-CD1 3.26Å; N527-I531 WeakPolarHBondContact O-CG1 3.28Å; N527-I531 PolarHBondContact O-N 3.47Å; N527-I531 VanDerWaalsContact O-N 3.12Å; E528-I531 VanDerWaalsContact O-OXT 3.06Å

Retrieved 531 of 531 residues in 911 ms (Link to these results)

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