A0A4W5PHK4_9TELE Loading...

Juxtaposed with another zinc finger protein 1

Acts as a transcriptional corepressor of orphan nuclear receptor NR2C2. Inhibits expression of the gluconeogenesis enzyme PCK2 through inhibition of NR2C2 activity. Also involved in transcriptional activation of NAMPT by promoting expression of PPARA and PPARD. Plays a role in lipid metabolism by suppressing lipogenesis, increasing lipolysis and decreasing lipid accumulation in adipose tissue. Plays a role in glucose homeostasis by improving glucose metabolism and insulin sensitivity.

AlphaFold DB , UniProt , Accession A0A4W5PHK4, Species 9TELE (Hucho hucho, huchen), Gene n/a, Length 243 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
1M37.8Very low49.1Very low244 Ų244127.3 Ų127.3100%1.20277%0.768SS**  081.70-71.5157.669.900108.3G3M1-G3 PolarHBondContact O-N 2.85Å
2T43Very low52.1Low141 Ų141120.7 Ų120.787%0.86573%0.725SS**  trans-88.496173.443.60000107.1I4T2-I4 PolarHBondContact O-N 3.5Å
3G38.4Very low54.6Low72 Ų72114.2 Ų114.274%0.74269%0.689SS**  trans-61.2125.6179.900000110.4M1 A5M1-G3 PolarHBondContact O-N 2.85Å; G3-A5 VanDerWaalsContact C-N 3.34Å; G3-A5 PolarHBondContact O-N 3.21Å
4I43.3Very low57.1Low175 Ų175106.1 Ų106.190%0.89764%0.64SS**  trans-64.899.4166.1-61.2170.8000105.7T2 A6T2-I4 PolarHBondContact O-N 3.5Å; I4-A6 PolarHBondContact O-N 2.99Å
5A40.4Very low58.8Low93 Ų93112.9 Ų112.977%0.76965%0.65SS**  trans-69.4112.4179.200000108.8G3 A7G3-A5 VanDerWaalsContact C-N 3.34Å; G3-A5 PolarHBondContact O-N 3.21Å; A5-A7 PolarHBondContact O-N 2.93Å; A5-A7 VanDerWaalsContact O-N 3.1Å
6A48.3Very low60.4Low93 Ų93111.8 Ų111.877%0.76964%0.636SS**  trans-63.6109.6167.300000108.5I4 S8I4-A6 PolarHBondContact O-N 2.99Å; A6-S8 PolarHBondContact O-N 3.33Å
7A46.7Very low61.3Low68 Ų68110.6 Ų110.656%0.56265%0.654SS**  trans-66.2119.3177.800000109.8A5 F9A5-A7 PolarHBondContact O-N 2.93Å; A5-A7 VanDerWaalsContact O-N 3.1Å; A7-F9 HydrophobicContact CB-CZ 4.36Å; A7-F9 WeakPolarHBondContact O-CD2 3.48Å; A7-F9 WeakPolarHBondContact O-CE2 3.12Å; A7-F9 PolarHBondContact O-N 2.8Å
8S48.9Very low62.3Low90 Ų90108.6 Ų108.663%0.62966%0.66SS**  trans-80.4110.1168-67.60000108.6A6 F10A6-S8 PolarHBondContact O-N 3.33Å; S8-F10 PolarHBondContact O-N 3.38Å
9F55.5Low63.6Low161 Ų161105.1 Ų105.171%0.70664%0.64SS**THydrogen-bonded Turntrans-76.128.1-173.2-62.1-83.4000115.2A7A7-F9 HydrophobicContact CB-CZ 4.36Å; A7-F9 WeakPolarHBondContact O-CD2 3.48Å; A7-F9 WeakPolarHBondContact O-CE2 3.12Å; A7-F9 PolarHBondContact O-N 2.8Å
10F61.1Low64.5Low204 Ų204102.7 Ų102.790%0.89564%0.637SS**THydrogen-bonded Turntrans-91.2-2.4-178.3-69.8-76.4000114.1S8S8-F10 PolarHBondContact O-N 3.38Å
11S76.8Confident65.6Low59 Ų59102 Ų10241%0.41363%0.629SS.*SBendtrans-138.8129.7176.963.40000111.1S13S11-S13 PolarHBondContact O-N 3.25Å; S11-S13 PolarHBondContact OG-OG 3.46Å; S11-S13 VanDerWaalsContact OG-OG 3.08Å
12N84.6Confident68Low48 Ų4898.5 Ų98.526%0.25761%0.61SS.*  trans-75.258.5171.3-62.2-20.6000110.3Q22 F23 E24 S25 L26N12-Q22 WeakPolarHBondContact O-CA 3.07Å; N12-F23 HydrophobicContact CB-CB 4.46Å; N12-F23 WeakPolarHBondContact CB-O 3.38Å; N12-F23 PolarHBondContact O-N 3.08Å; N12-E24 PolarHBondContact ND2-O 3.49Å; N12-S25 WeakPolarHBondContact ND2-CA 3.45Å; N12-L26 PolarHBondContact ND2-N 2.86Å; N12-L26 PolarHBondContact OD1-N 2.82Å
13S85.4Confident70.1Confident36 Ų3693.8 Ų93.825%0.25258%0.577SS.*BIsolated β-bridgetrans-123.2134.6179.162.60000111.6S11 L21S11-S13 PolarHBondContact O-N 3.25Å; S11-S13 PolarHBondContact OG-OG 3.46Å; S11-S13 VanDerWaalsContact OG-OG 3.08Å; S13-L21 CarbonylContact C-O 3.54Å; S13-L21 WeakPolarHBondContact CA-O 3.46Å
14C89.1Confident72.4Confident1 Ų199 Ų991%0.00758%0.582CS.*  trans-80.1122.3176-174.80000110.3C19 G20 L21 F23 L29 H32 H37C14-C19 HydrophobicContact CB-CB 4.36Å; C14-G20 VanDerWaalsContact O-CA 3.24Å; C14-G20 WeakPolarHBondContact O-CA 3.35Å; C14-G20 PolarHBondContact O-N 3.32Å; C14-L21 PolarHBondContact N-O 3.38Å; C14-F23 HydrophobicContact CB-CE2 3.96Å; C14-L29 HydrophobicContact CB-CD1 3.64Å; C14-H32 VanDerWaalsContact SG-CD2 3.57Å; C14-H32 PolarHBondContact SG-NE2 2.98Å; C14-H32 VanDerWaalsContact SG-NE2 3.38Å; C14-H37 PolarHBondContact SG-CD2 3.26Å; C14-H37 PolarHBondContact SG-NE2 3.46Å
15R83.4Confident74.6Confident209 Ų20992.8 Ų92.879%0.78955%0.554SS**  trans-110.96.6-178.7-59.2-179.671.3174.52.5113
16F84.4Confident76.9Confident95 Ų9591.9 Ų91.942%0.41754%0.536SS..G310 helixtrans-70.9127177.4-83.8-89.1000110.9G18 C19 I33 H37F16-G18 PolarHBondContact O-N 3.44Å; F16-C19 WeakPolarHBondContact O-CB 3.24Å; F16-C19 PolarHBondContact O-N 3.45Å; F16-I33 HydrophobicContact CD2-CD1 4.12Å; F16-I33 HydrophobicContact CD2-CG1 3.85Å; F16-I33 HydrophobicContact CD2-CG2 3.93Å; F16-I33 HydrophobicContact CE2-CB 4.32Å; F16-I33 HydrophobicContact CE2-CD1 3.92Å; F16-I33 HydrophobicContact CE2-CG1 3.94Å; F16-I33 HydrophobicContact CE2-CG2 3.4Å; F16-I33 VanDerWaalsContact CE2-CG2 3.4Å; F16-I33 HydrophobicContact CZ-CG2 3.9Å; F16-H37 HydrophobicContact CB-CB 4.03Å; F16-H37 VanDerWaalsContact CB-CD2 3.45Å; F16-H37 WeakPolarHBondContact CB-CD2 3.35Å; F16-H37 VanDerWaalsContact CB-CG 3.44Å; F16-H37 HydrophobicContact CD1-CB 3.96Å; F16-H37 HydrophobicContact CD2-CB 4.39Å; F16-H37 HydrophobicContact CG-CB 3.88Å; F16-H37 AromaticContact CG-CD2 3.97Å; F16-H37 AromaticContact CG-CG 3.83Å
17G75.4Confident78.8Confident92 Ų9290.5 Ų90.595%0.94852%0.524SS*.G310 helixtrans57.216.2168.700000117.2
18G79.5Confident80.8Confident74 Ų7491.9 Ų91.976%0.76352%0.519SS*.G310 helixtrans83.715.1-172.400000115.1F16 G20F16-G18 PolarHBondContact O-N 3.44Å; G18-G20 PolarHBondContact O-N 3.24Å
19C85.7Confident82.8Confident42 Ų4288.2 Ų88.228%0.28449%0.492SS..  trans-56.7-48.7179.3-176.90000112.9C14 F16 L21 H32C14-C19 HydrophobicContact CB-CB 4.36Å; F16-C19 WeakPolarHBondContact O-CB 3.24Å; F16-C19 PolarHBondContact O-N 3.45Å; C19-L21 PolarHBondContact O-N 3.47Å; C19-H32 PolarHBondContact SG-NE2 2.91Å
20G83Confident84.4Confident56 Ų5684 Ų8458%0.57748%0.477SS*.  trans66.83.8169.700000116C14 G18C14-G20 VanDerWaalsContact O-CA 3.24Å; C14-G20 WeakPolarHBondContact O-CA 3.35Å; C14-G20 PolarHBondContact O-N 3.32Å; G18-G20 PolarHBondContact O-N 3.24Å
21L86.4Confident85.7Confident88 Ų8877.9 Ų77.946%0.46146%0.456SS..  trans-67.6137.4-179.4-67.4177.2000111.4S13 C14 C19 F23S13-L21 CarbonylContact C-O 3.54Å; S13-L21 WeakPolarHBondContact CA-O 3.46Å; C14-L21 PolarHBondContact N-O 3.38Å; C19-L21 PolarHBondContact O-N 3.47Å; L21-F23 HydrophobicContact CB-CE2 3.55Å; L21-F23 HydrophobicContact CB-CZ 3.65Å; L21-F23 HydrophobicContact CD1-CZ 4.11Å; L21-F23 WeakPolarHBondContact O-CE2 3.41Å
22Q88.3Confident86.4Confident171 Ų17176 Ų7680%0.79944%0.441SS*.BIsolated β-bridgetrans-105.4135.2176.1-173.8172.16.500109.7N12N12-Q22 WeakPolarHBondContact O-CA 3.07Å
23F86.8Confident86.6Confident42 Ų4275.2 Ų75.218%0.18444%0.436CS..  trans-118.2149.5-176-61.6-87.7000110.2N12 C14 L21 S25 E28 L29 H32N12-F23 HydrophobicContact CB-CB 4.46Å; N12-F23 WeakPolarHBondContact CB-O 3.38Å; N12-F23 PolarHBondContact O-N 3.08Å; C14-F23 HydrophobicContact CB-CE2 3.96Å; L21-F23 HydrophobicContact CB-CE2 3.55Å; L21-F23 HydrophobicContact CB-CZ 3.65Å; L21-F23 HydrophobicContact CD1-CZ 4.11Å; L21-F23 WeakPolarHBondContact O-CE2 3.41Å; F23-S25 VanDerWaalsContact C-N 3.29Å; F23-E28 HydrophobicContact CB-CB 4.11Å; F23-E28 HydrophobicContact CD1-CB 4.01Å; F23-E28 HydrophobicContact CG-CB 4.38Å; F23-L29 HydrophobicContact CB-CB 4.2Å; F23-L29 HydrophobicContact CD2-CB 3.99Å; F23-L29 HydrophobicContact CD2-CD1 3.69Å; F23-L29 HydrophobicContact CD2-CG 4.45Å; F23-L29 HydrophobicContact CE2-CD1 3.91Å; F23-L29 HydrophobicContact CG-CB 4.24Å; F23-H32 HydrophobicContact CE1-CB 3.83Å; F23-H32 AromaticContact CE1-CG 3.97Å; F23-H32 HydrophobicContact CE2-CB 4.13Å; F23-H32 AromaticContact CE2-CD2 3.54Å; F23-H32 AromaticContact CE2-CG 3.82Å; F23-H32 HydrophobicContact CZ-CB 3.54Å; F23-H32 AromaticContact CZ-CD2 3.41Å; F23-H32 VanDerWaalsContact CZ-CD2 3.41Å; F23-H32 WeakPolarHBondContact CZ-CD2 3.47Å; F23-H32 AromaticContact CZ-CG 3.23Å; F23-H32 AromaticContact CZ-ND1 3.69Å; F23-H32 AromaticContact CZ-NE2 3.94Å
24E86.4Confident86.8Confident183 Ų18378.8 Ų78.886%0.85545%0.448SS*.SBendtrans-73.7-28.5-178-63.4-174.2171.600111N12N12-E24 PolarHBondContact ND2-O 3.49Å
25S90.2Very high86.5Confident43 Ų4384.7 Ų84.730%0.30148%0.48SS..SBendtrans-128.2155.8177.177.50000113.3N12 F23 A27 E28 L29N12-S25 WeakPolarHBondContact ND2-CA 3.45Å; F23-S25 VanDerWaalsContact C-N 3.29Å; S25-A27 PolarHBondContact O-N 3Å; S25-E28 PolarHBondContact O-N 2.98Å; S25-E28 WeakPolarHBondContact OG-CG 3.4Å; S25-E28 PolarHBondContact OG-N 3.1Å; S25-E28 VanDerWaalsContact OG-N 3.16Å; S25-L29 PolarHBondContact O-N 3.02Å
26L88.1Confident86.4Confident75 Ų7579.8 Ų79.839%0.39347%0.469SS..Hα-helixtrans-63.9-33.2172.117862.1000111.5N12 L29 I30N12-L26 PolarHBondContact ND2-N 2.86Å; N12-L26 PolarHBondContact OD1-N 2.82Å; L26-L29 HydrophobicContact CD1-CD2 4.24Å; L26-L29 PolarHBondContact O-N 3.36Å; L26-I30 HydrophobicContact CD1-CD1 4.27Å; L26-I30 HydrophobicContact CD1-CG1 4.29Å; L26-I30 HydrophobicContact CD2-CD1 4.44Å; L26-I30 HydrophobicContact CG-CD1 3.87Å; L26-I30 HydrophobicContact CG-CG1 4.36Å; L26-I30 VanDerWaalsContact O-CG1 3.26Å; L26-I30 WeakPolarHBondContact O-CG1 3.25Å; L26-I30 PolarHBondContact O-N 3.37Å
27A88.6Confident86.4Confident63 Ų6378.2 Ų78.252%0.52146%0.463SS..Hα-helixtrans-63.2-44.3179.500000111.3S25 L29 I30 V31S25-A27 PolarHBondContact O-N 3Å; A27-L29 VanDerWaalsContact C-N 3.34Å; A27-L29 PolarHBondContact O-N 3.44Å; A27-I30 PolarHBondContact O-N 3.26Å; A27-V31 WeakPolarHBondContact O-CG2 3.47Å; A27-V31 PolarHBondContact O-N 2.98Å
28E89Confident86.7Confident98 Ų9878 Ų7846%0.45844%0.439SS..Hα-helixtrans-65.4-37.7175.7-72.9178.216300112.4F23 S25 I30 H32F23-E28 HydrophobicContact CB-CB 4.11Å; F23-E28 HydrophobicContact CD1-CB 4.01Å; F23-E28 HydrophobicContact CG-CB 4.38Å; S25-E28 PolarHBondContact O-N 2.98Å; S25-E28 WeakPolarHBondContact OG-CG 3.4Å; S25-E28 PolarHBondContact OG-N 3.1Å; S25-E28 VanDerWaalsContact OG-N 3.16Å; E28-I30 VanDerWaalsContact C-N 3.35Å; E28-H32 VanDerWaalsContact O-CB 3.26Å; E28-H32 WeakPolarHBondContact O-CB 3.25Å; E28-H32 PolarHBondContact O-N 3.25Å
29L90.6Very high86.1Confident12 Ų1281.5 Ų81.56%0.06344%0.441CS..Hα-helixtrans-61.9-43.5173.1173.162.2000111.7C14 F23 S25 L26 A27 H32 I33C14-L29 HydrophobicContact CB-CD1 3.64Å; F23-L29 HydrophobicContact CB-CB 4.2Å; F23-L29 HydrophobicContact CD2-CB 3.99Å; F23-L29 HydrophobicContact CD2-CD1 3.69Å; F23-L29 HydrophobicContact CD2-CG 4.45Å; F23-L29 HydrophobicContact CE2-CD1 3.91Å; F23-L29 HydrophobicContact CG-CB 4.24Å; S25-L29 PolarHBondContact O-N 3.02Å; L26-L29 HydrophobicContact CD1-CD2 4.24Å; L26-L29 PolarHBondContact O-N 3.36Å; A27-L29 VanDerWaalsContact C-N 3.34Å; A27-L29 PolarHBondContact O-N 3.44Å; L29-H32 PolarHBondContact O-N 2.9Å; L29-I33 HydrophobicContact CD1-CD1 3.74Å; L29-I33 HydrophobicContact CD1-CG1 4.13Å; L29-I33 HydrophobicContact CG-CD1 3.86Å; L29-I33 WeakPolarHBondContact O-CD1 3.38Å; L29-I33 VanDerWaalsContact O-CG1 3.25Å; L29-I33 WeakPolarHBondContact O-CG1 3.26Å; L29-I33 PolarHBondContact O-N 3.46Å
30I88.9Confident85.2Confident74 Ų7484.1 Ų84.138%0.37946%0.456SS..Hα-helixtrans-62.3-50.9178.8-69.5164.6000110L26 A27 E28 H32 I33 E34L26-I30 HydrophobicContact CD1-CD1 4.27Å; L26-I30 HydrophobicContact CD1-CG1 4.29Å; L26-I30 HydrophobicContact CD2-CD1 4.44Å; L26-I30 HydrophobicContact CG-CD1 3.87Å; L26-I30 HydrophobicContact CG-CG1 4.36Å; L26-I30 VanDerWaalsContact O-CG1 3.26Å; L26-I30 WeakPolarHBondContact O-CG1 3.25Å; L26-I30 PolarHBondContact O-N 3.37Å; A27-I30 PolarHBondContact O-N 3.26Å; E28-I30 VanDerWaalsContact C-N 3.35Å; I30-H32 VanDerWaalsContact C-N 3.31Å; I30-H32 PolarHBondContact O-N 3.3Å; I30-I33 PolarHBondContact O-N 3.47Å; I30-I33 VanDerWaalsContact O-N 3.1Å; I30-E34 HydrophobicContact CG2-CG 4.37Å; I30-E34 WeakPolarHBondContact O-CG 3.44Å; I30-E34 PolarHBondContact O-N 2.97Å
31V89.9Confident84.4Confident74 Ų7484.4 Ų84.445%0.44844%0.444SS..Hα-helixtrans-58.4-44.2178.11720000110.9A27 I33 E34 D35A27-V31 WeakPolarHBondContact O-CG2 3.47Å; A27-V31 PolarHBondContact O-N 2.98Å; V31-I33 VanDerWaalsContact C-N 3.32Å; V31-I33 PolarHBondContact O-N 2.99Å; V31-E34 PolarHBondContact O-N 2.92Å; V31-D35 WeakPolarHBondContact CG1-OD2 3.38Å; V31-D35 WeakPolarHBondContact O-CB 3.26Å; V31-D35 PolarHBondContact O-N 2.9Å
32H91.6Very high83.4Confident21 Ų2184.8 Ų84.810%0.09745%0.452CS..Hα-helixtrans-58.7-43176.4167.470.1000112.5C14 C19 F23 E28 L29 I30 N36 H37C14-H32 VanDerWaalsContact SG-CD2 3.57Å; C14-H32 PolarHBondContact SG-NE2 2.98Å; C14-H32 VanDerWaalsContact SG-NE2 3.38Å; C19-H32 PolarHBondContact SG-NE2 2.91Å; F23-H32 HydrophobicContact CE1-CB 3.83Å; F23-H32 AromaticContact CE1-CG 3.97Å; F23-H32 HydrophobicContact CE2-CB 4.13Å; F23-H32 AromaticContact CE2-CD2 3.54Å; F23-H32 AromaticContact CE2-CG 3.82Å; F23-H32 HydrophobicContact CZ-CB 3.54Å; F23-H32 AromaticContact CZ-CD2 3.41Å; F23-H32 VanDerWaalsContact CZ-CD2 3.41Å; F23-H32 WeakPolarHBondContact CZ-CD2 3.47Å; F23-H32 AromaticContact CZ-CG 3.23Å; F23-H32 AromaticContact CZ-ND1 3.69Å; F23-H32 AromaticContact CZ-NE2 3.94Å; E28-H32 VanDerWaalsContact O-CB 3.26Å; E28-H32 WeakPolarHBondContact O-CB 3.25Å; E28-H32 PolarHBondContact O-N 3.25Å; L29-H32 PolarHBondContact O-N 2.9Å; I30-H32 VanDerWaalsContact C-N 3.31Å; I30-H32 PolarHBondContact O-N 3.3Å; H32-N36 PolarHBondContact ND1-ND2 3.16Å; H32-N36 VanDerWaalsContact O-CB 3.25Å; H32-N36 WeakPolarHBondContact O-CB 3.42Å; H32-N36 PolarHBondContact O-N 2.92Å; H32-N36 PolarHBondContact O-ND2 3.49Å; H32-H37 AromaticContact CE1-NE2 3.97Å; H32-H37 AromaticContact NE2-CD2 3.75Å; H32-H37 AromaticContact NE2-NE2 3.38Å; H32-H37 PolarHBondContact NE2-NE2 3.47Å
33I88.3Confident82.5Confident31 Ų3185.2 Ų85.216%0.15945%0.446CS..Hα-helixtrans-65.9-44.3178.1-69.5164.6000110.8F16 L29 I30 V31 H37 I38F16-I33 HydrophobicContact CD2-CD1 4.12Å; F16-I33 HydrophobicContact CD2-CG1 3.85Å; F16-I33 HydrophobicContact CD2-CG2 3.93Å; F16-I33 HydrophobicContact CE2-CB 4.32Å; F16-I33 HydrophobicContact CE2-CD1 3.92Å; F16-I33 HydrophobicContact CE2-CG1 3.94Å; F16-I33 HydrophobicContact CE2-CG2 3.4Å; F16-I33 VanDerWaalsContact CE2-CG2 3.4Å; F16-I33 HydrophobicContact CZ-CG2 3.9Å; L29-I33 HydrophobicContact CD1-CD1 3.74Å; L29-I33 HydrophobicContact CD1-CG1 4.13Å; L29-I33 HydrophobicContact CG-CD1 3.86Å; L29-I33 WeakPolarHBondContact O-CD1 3.38Å; L29-I33 VanDerWaalsContact O-CG1 3.25Å; L29-I33 WeakPolarHBondContact O-CG1 3.26Å; L29-I33 PolarHBondContact O-N 3.46Å; I30-I33 PolarHBondContact O-N 3.47Å; I30-I33 VanDerWaalsContact O-N 3.1Å; V31-I33 VanDerWaalsContact C-N 3.32Å; V31-I33 PolarHBondContact O-N 2.99Å; I33-H37 HydrophobicContact CG2-CB 4.44Å; I33-H37 CarbonylContact O-C 2.91Å; I33-H37 WeakPolarHBondContact O-CA 3.42Å; I33-H37 WeakPolarHBondContact O-CB 3.38Å; I33-H37 PolarHBondContact O-N 3.1Å; I33-I38 HydrophobicContact CG2-CD1 3.83Å; I33-I38 HydrophobicContact CG2-CG1 3.99Å; I33-I38 PolarHBondContact O-N 3.06Å
34E88.5Confident81.6Confident110 Ų11087.3 Ų87.351%0.51446%0.462SS..Hα-helixtrans-62-46.1178.9-71.2175.6167.400111.5I30 V31 I38I30-E34 HydrophobicContact CG2-CG 4.37Å; I30-E34 WeakPolarHBondContact O-CG 3.44Å; I30-E34 PolarHBondContact O-N 2.97Å; V31-E34 PolarHBondContact O-N 2.92Å; E34-I38 HydrophobicContact CG-CD1 4.47Å
35D83.2Confident80.7Confident125 Ų12583.5 Ų83.567%0.66845%0.447SS*.Hα-helixtrans-80.5-28.3-174.5-69.2-19.1000114V31V31-D35 WeakPolarHBondContact CG1-OD2 3.38Å; V31-D35 WeakPolarHBondContact O-CB 3.26Å; V31-D35 PolarHBondContact O-N 2.9Å
36N81.9Confident79.9Confident106 Ų10686.7 Ų86.757%0.56746%0.457SS*.Hα-helixtrans-114.5-18.1-170.8-61.1-94.6000114.4H32H32-N36 PolarHBondContact ND1-ND2 3.16Å; H32-N36 VanDerWaalsContact O-CB 3.25Å; H32-N36 WeakPolarHBondContact O-CB 3.42Å; H32-N36 PolarHBondContact O-N 2.92Å; H32-N36 PolarHBondContact O-ND2 3.49Å
37H83.8Confident79.3Confident63 Ų6390.3 Ų90.329%0.29247%0.47SS..THydrogen-bonded Turntrans-125.1-26.4-173.2-66.4-53.6000114.2C14 F16 H32 I33 D39C14-H37 PolarHBondContact SG-CD2 3.26Å; C14-H37 PolarHBondContact SG-NE2 3.46Å; F16-H37 HydrophobicContact CB-CB 4.03Å; F16-H37 VanDerWaalsContact CB-CD2 3.45Å; F16-H37 WeakPolarHBondContact CB-CD2 3.35Å; F16-H37 VanDerWaalsContact CB-CG 3.44Å; F16-H37 HydrophobicContact CD1-CB 3.96Å; F16-H37 HydrophobicContact CD2-CB 4.39Å; F16-H37 HydrophobicContact CG-CB 3.88Å; F16-H37 AromaticContact CG-CD2 3.97Å; F16-H37 AromaticContact CG-CG 3.83Å; H32-H37 AromaticContact CE1-NE2 3.97Å; H32-H37 AromaticContact NE2-CD2 3.75Å; H32-H37 AromaticContact NE2-NE2 3.38Å; H32-H37 PolarHBondContact NE2-NE2 3.47Å; I33-H37 HydrophobicContact CG2-CB 4.44Å; I33-H37 CarbonylContact O-C 2.91Å; I33-H37 WeakPolarHBondContact O-CA 3.42Å; I33-H37 WeakPolarHBondContact O-CB 3.38Å; I33-H37 PolarHBondContact O-N 3.1Å; H37-D39 PolarHBondContact O-N 2.91Å
38I81.3Confident78.4Confident86 Ų8694 Ų9444%0.44148%0.476SS..  trans-100.482176.3-53.9176.7000108I33 E34 T40I33-I38 HydrophobicContact CG2-CD1 3.83Å; I33-I38 HydrophobicContact CG2-CG1 3.99Å; I33-I38 PolarHBondContact O-N 3.06Å; E34-I38 HydrophobicContact CG-CD1 4.47Å; I38-T40 PolarHBondContact O-N 3.24Å
39D66.8Low77.6Confident149 Ų14996.9 Ų96.980%0.79749%0.49SS*.  trans-70.498.5172.6-155.8-1.6000108.9H37 D41H37-D39 PolarHBondContact O-N 2.91Å; D39-D41 PolarHBondContact O-N 2.95Å
40T67.8Low76.9Confident97 Ų97103.5 Ų103.560%0.59552%0.52SS*.  trans-91.160.3174.6-47.80000108.1I38 P42 L45I38-T40 PolarHBondContact O-N 3.24Å; T40-P42 WeakPolarHBondContact O-CD 3.36Å; T40-P42 VanDerWaalsContact O-N 3.15Å; T40-L45 HydrophobicContact CG2-CD1 4.34Å
41D66.1Low76.2Confident61 Ų61106.5 Ų106.533%0.32653%0.533SS..  trans-63.2115.3179.1-177.3-5.1000109.3D39 R43 V44 L45D39-D41 PolarHBondContact O-N 2.95Å; D41-R43 PolarHBondContact O-N 3.34Å; D41-R43 WeakPolarHBondContact OD1-CB 3.41Å; D41-R43 WeakPolarHBondContact OD1-CG 3.4Å; D41-R43 PolarHBondContact OD1-N 3.38Å; D41-V44 HydrophobicContact CB-CB 4.33Å; D41-V44 HydrophobicContact CB-CG2 3.94Å; D41-V44 PolarHBondContact O-N 2.96Å; D41-L45 PolarHBondContact O-N 3.26Å
42P64.9Low75Confident97 Ų97111 Ų11163%0.6355%0.549SS*.Hα-helixtrans-55.8-28178.9-24.134.5000112.7T40 L45 E46T40-P42 WeakPolarHBondContact O-CD 3.36Å; T40-P42 VanDerWaalsContact O-N 3.15Å; P42-L45 PolarHBondContact O-N 3.41Å; P42-E46 WeakPolarHBondContact O-CB 3.16Å; P42-E46 PolarHBondContact O-N 2.97Å
43R69Low73.9Confident179 Ų179113.9 Ų113.968%0.67557%0.569SS**Hα-helixtrans-77.2-27.6-177.9-51.9-164.582.2156.47.5112.9D41 K47D41-R43 PolarHBondContact O-N 3.34Å; D41-R43 WeakPolarHBondContact OD1-CB 3.41Å; D41-R43 WeakPolarHBondContact OD1-CG 3.4Å; D41-R43 PolarHBondContact OD1-N 3.38Å; R43-K47 WeakPolarHBondContact O-CB 3.29Å; R43-K47 WeakPolarHBondContact O-CG 3.33Å; R43-K47 PolarHBondContact O-N 3.19Å
44V68.6Low73.1Confident87 Ų87119.5 Ų119.553%0.52761%0.606SS.*Hα-helixtrans-73.7-39.7172.9176.80000109.5D41 K47 Q48D41-V44 HydrophobicContact CB-CB 4.33Å; D41-V44 HydrophobicContact CB-CG2 3.94Å; D41-V44 PolarHBondContact O-N 2.96Å; V44-K47 PolarHBondContact O-N 3.16Å; V44-Q48 WeakPolarHBondContact O-CB 3.12Å; V44-Q48 PolarHBondContact O-N 2.79Å
45L67.3Low72.3Confident102 Ų102123.1 Ų123.153%0.53462%0.616SS.*Hα-helixtrans-65.7-43.6176.4-140135.4000111.5T40 D41 P42 Q48 E49T40-L45 HydrophobicContact CG2-CD1 4.34Å; D41-L45 PolarHBondContact O-N 3.26Å; P42-L45 PolarHBondContact O-N 3.41Å; L45-Q48 PolarHBondContact O-N 3.1Å; L45-E49 WeakPolarHBondContact O-CB 3.43Å; L45-E49 PolarHBondContact O-N 3.27Å
46E74.4Confident71.9Confident110 Ų110122 Ų12251%0.51461%0.609SS.*Hα-helixtrans-63.5-41.4174.1-171.9177-154.800111.8P42 Q48 E49 Q50P42-E46 WeakPolarHBondContact O-CB 3.16Å; P42-E46 PolarHBondContact O-N 2.97Å; E46-Q48 VanDerWaalsContact C-N 3.33Å; E46-Q48 PolarHBondContact O-N 2.78Å; E46-E49 PolarHBondContact O-N 3.44Å; E46-Q50 WeakPolarHBondContact O-CB 3.31Å; E46-Q50 PolarHBondContact O-N 3.44Å
47K74.8Confident71.8Confident152 Ų152119.2 Ų119.266%0.66160%0.601SS**Hα-helixtrans-63.3-37.9172.8-83.2179.3179.4176.50112.7R43 V44 E49 Q50 Q51R43-K47 WeakPolarHBondContact O-CB 3.29Å; R43-K47 WeakPolarHBondContact O-CG 3.33Å; R43-K47 PolarHBondContact O-N 3.19Å; V44-K47 PolarHBondContact O-N 3.16Å; K47-E49 VanDerWaalsContact C-N 3.35Å; K47-Q50 PolarHBondContact O-N 3.39Å; K47-Q51 WeakPolarHBondContact O-CG 3.41Å; K47-Q51 PolarHBondContact O-N 3.39Å; K47-Q51 VanDerWaalsContact O-N 3.1Å
48Q69.1Low70.7Confident140 Ų140122 Ų12265%0.65462%0.618SS**Hα-helixtrans-69.9-34177-170.3177.6-64.500111.5V44 L45 E46V44-Q48 WeakPolarHBondContact O-CB 3.12Å; V44-Q48 PolarHBondContact O-N 2.79Å; L45-Q48 PolarHBondContact O-N 3.1Å; E46-Q48 VanDerWaalsContact C-N 3.33Å; E46-Q48 PolarHBondContact O-N 2.78Å
49E72.6Confident70.1Confident158 Ų158122.1 Ų122.174%0.73863%0.626SS**Hα-helixtrans-73.5-32.2173.6-168.9173.7-174.800112.3L45 E46 K47 Q51L45-E49 WeakPolarHBondContact O-CB 3.43Å; L45-E49 PolarHBondContact O-N 3.27Å; E46-E49 PolarHBondContact O-N 3.44Å; K47-E49 VanDerWaalsContact C-N 3.35Å; E49-Q51 VanDerWaalsContact C-N 3.31Å
50Q75.5Confident70.3Confident152 Ų152124.3 Ų124.371%0.7162%0.624SS**Hα-helixtrans-73.8-22.9175.3-143.48478.700113E46 K47 Q52E46-Q50 WeakPolarHBondContact O-CB 3.31Å; E46-Q50 PolarHBondContact O-N 3.44Å; K47-Q50 PolarHBondContact O-N 3.39Å; Q50-Q52 PolarHBondContact O-N 2.92Å
51Q76.1Confident70.4Confident136 Ų136125 Ų12564%0.63662%0.623SS**SBendtrans-67130.5172.3-77.3175.112.700108.8K47 E49K47-Q51 WeakPolarHBondContact O-CG 3.41Å; K47-Q51 PolarHBondContact O-N 3.39Å; K47-Q51 VanDerWaalsContact O-N 3.1Å; E49-Q51 VanDerWaalsContact C-N 3.31Å
52Q64.3Low70.7Confident168 Ų168127.3 Ų127.379%0.78564%0.635SS**PPolyproline II helixtrans-56.9133.5176.8-68.9-164.532.100108.8Q50 T54Q50-Q52 PolarHBondContact O-N 2.92Å; Q52-T54 PolarHBondContact O-N 3.38Å
53P67Low70.8Confident82 Ų82132.2 Ų132.253%0.53264%0.641SS.*PPolyproline II helixtrans-58.1128.7-177.425.2-34.2000108.3Y55 L56P53-Y55 WeakPolarHBondContact CB-O 3.4Å; P53-Y55 PolarHBondContact O-N 3.07Å; P53-L56 HydrophobicContact CG-CD2 4.25Å
54T72.3Confident70.4Confident150 Ų150132.4 Ų132.492%0.9265%0.648SS**SBendtrans-55.7-18-177.6-40.70000112.3Q52Q52-T54 PolarHBondContact O-N 3.38Å
55Y72.2Confident70.4Confident186 Ų186133.9 Ų133.973%0.72965%0.65SS**SBendtrans-132.9132.5170.659.9-86.7000109.6P53P53-Y55 WeakPolarHBondContact CB-O 3.4Å; P53-Y55 PolarHBondContact O-N 3.07Å
56L74.2Confident70.8Confident100 Ų100132.5 Ų132.552%0.52465%0.646SS.*  trans-84.1136.6167.2-69167000108.3P53 L58 I61P53-L56 HydrophobicContact CG-CD2 4.25Å; L56-L58 PolarHBondContact O-N 3.06Å; L56-I61 HydrophobicContact CB-CD1 4.31Å
57A79Confident70.4Confident48 Ų48131.4 Ų131.440%0.39764%0.644SS.*  trans-59.7136.2174.800000109.6S59 Y60A57-S59 WeakPolarHBondContact CB-OG 3.48Å; A57-S59 PolarHBondContact O-N 3.06Å; A57-Y60 HydrophobicContact CB-CD2 4.23Å; A57-Y60 PolarHBondContact O-N 2.89Å
58L62.6Low70.3Confident123 Ų123126.9 Ų126.964%0.64463%0.634SS**Hα-helixtrans-56.8-20.5-178.9-67.5174.2000112.8L56 Y60 I61 N62L56-L58 PolarHBondContact O-N 3.06Å; L58-Y60 VanDerWaalsContact C-N 3.27Å; L58-Y60 PolarHBondContact O-N 3.27Å; L58-I61 HydrophobicContact CD2-CD1 4.49Å; L58-I61 PolarHBondContact O-N 2.71Å; L58-N62 VanDerWaalsContact O-CB 3.26Å; L58-N62 WeakPolarHBondContact O-CB 3.39Å; L58-N62 PolarHBondContact O-N 2.83Å
59S67.3Low70.3Confident88 Ų88121.8 Ų121.862%0.61562%0.617SS**Hα-helixtrans-61.4-29.1171.353.60000114.1A57A57-S59 WeakPolarHBondContact CB-OG 3.48Å; A57-S59 PolarHBondContact O-N 3.06Å
60Y70.7Confident70.2Confident194 Ų194120.9 Ų120.976%0.76161%0.606SS**Hα-helixtrans-83.3-25.8177.2-79.1-88.8000112.9A57 L58A57-Y60 HydrophobicContact CB-CD2 4.23Å; A57-Y60 PolarHBondContact O-N 2.89Å; L58-Y60 VanDerWaalsContact C-N 3.27Å; L58-Y60 PolarHBondContact O-N 3.27Å
61I71.3Confident70Confident111 Ų111120.9 Ų120.957%0.56960%0.6SS**Hα-helixtrans-87.9-40.8179.4-58.4169.8000109.9L56 L58 R63L56-I61 HydrophobicContact CB-CD1 4.31Å; L58-I61 HydrophobicContact CD2-CD1 4.49Å; L58-I61 PolarHBondContact O-N 2.71Å; I61-R63 VanDerWaalsContact C-N 3.34Å; I61-R63 PolarHBondContact O-N 3.47Å
62N71.6Confident69.6Low110 Ų110120.3 Ų120.359%0.58860%0.597SS**SBendtrans-8382.4173.3-67.1-29.5000109.2L58 F64L58-N62 VanDerWaalsContact O-CB 3.26Å; L58-N62 WeakPolarHBondContact O-CB 3.39Å; L58-N62 PolarHBondContact O-N 2.83Å; N62-F64 PolarHBondContact O-N 3.19Å
63R66.8Low69.6Low200 Ų200118.2 Ų118.276%0.75559%0.587SS**  trans-53.5110.6164.3-179.4173165.9107-1.5107.5I61 M65I61-R63 VanDerWaalsContact C-N 3.34Å; I61-R63 PolarHBondContact O-N 3.47Å; R63-M65 HydrophobicContact CG-CE 4.01Å; R63-M65 VanDerWaalsContact NE-CE 3.28Å; R63-M65 PolarHBondContact O-N 3.44Å
64F60.8Low69.6Low184 Ų184119.2 Ų119.281%0.80759%0.585SS**  trans-57.399178.8-163.1-91.1000108.8N62 T66N62-F64 PolarHBondContact O-N 3.19Å; F64-T66 HydrophobicContact CD1-CG2 4.36Å; F64-T66 HydrophobicContact CE1-CG2 4.32Å
65M68Low69.3Low117 Ų117115.7 Ų115.758%0.57656%0.563SS**  trans-90.8117.4169.9-71.2-63.1179.600106.2R63R63-M65 HydrophobicContact CG-CE 4.01Å; R63-M65 VanDerWaalsContact NE-CE 3.28Å; R63-M65 PolarHBondContact O-N 3.44Å
66T75.6Confident68.9Low73 Ų73111.9 Ų111.945%0.44856%0.555SS.*  trans-59.6149.7177.6590000110F64 A68 A69 R70F64-T66 HydrophobicContact CD1-CG2 4.36Å; F64-T66 HydrophobicContact CE1-CG2 4.32Å; T66-A68 PolarHBondContact O-N 3.04Å; T66-A68 VanDerWaalsContact O-N 3.08Å; T66-A69 WeakPolarHBondContact O-CB 3.45Å; T66-A69 PolarHBondContact O-N 2.85Å; T66-A69 PolarHBondContact OG1-N 3.5Å; T66-R70 PolarHBondContact O-N 2.88Å
67D67Low68.2Low88 Ų88114.4 Ų114.447%0.47156%0.562SS.*Hα-helixtrans-55.5-28176.3-120-73.3000112.6R70 R71D67-R70 IonicContact OD1-CZ 3.12Å; D67-R70 IonicContact OD1-NE 2.9Å; D67-R70 IonicContact OD1-NH2 3.73Å; D67-R70 PolarHBondContact OD1-NH2 3.35Å; D67-R70 IonicContact OD2-CZ 3.46Å; D67-R70 IonicContact OD2-NH2 2.63Å; D67-R70 PolarHBondContact OD2-NH2 2.83Å; D67-R71 WeakPolarHBondContact O-CG 3.49Å; D67-R71 PolarHBondContact O-N 2.94Å; D67-R71 PolarHBondContact O-NE 3.48Å
68A71.3Confident67.2Low56 Ų56119.8 Ų119.846%0.46358%0.576SS.*Hα-helixtrans-64.7-48.1170.800000112.6T66 R70 R71 E72T66-A68 PolarHBondContact O-N 3.04Å; T66-A68 VanDerWaalsContact O-N 3.08Å; A68-R70 VanDerWaalsContact C-N 3.33Å; A68-R70 PolarHBondContact O-N 3.4Å; A68-R71 PolarHBondContact O-N 3.47Å; A68-E72 PolarHBondContact O-N 3.49Å
69A70.7Confident66.9Low34 Ų34122.6 Ų122.628%0.28158%0.583SS.*Hα-helixtrans-65.3-34.9178.500000112.5T66 E72 Q73T66-A69 WeakPolarHBondContact O-CB 3.45Å; T66-A69 PolarHBondContact O-N 2.85Å; T66-A69 PolarHBondContact OG1-N 3.5Å; A69-E72 PolarHBondContact O-N 3.15Å; A69-Q73 PolarHBondContact O-N 2.89Å; A69-Q73 VanDerWaalsContact O-N 3.13Å
70R69.6Low66.2Low138 Ų138121.9 Ų121.952%0.52158%0.582SS.*Hα-helixtrans-63-45.2173.7-175.917163-160.21.9111.6T66 D67 A68 E72 Q73 E74T66-R70 PolarHBondContact O-N 2.88Å; D67-R70 IonicContact OD1-CZ 3.12Å; D67-R70 IonicContact OD1-NE 2.9Å; D67-R70 IonicContact OD1-NH2 3.73Å; D67-R70 PolarHBondContact OD1-NH2 3.35Å; D67-R70 IonicContact OD2-CZ 3.46Å; D67-R70 IonicContact OD2-NH2 2.63Å; D67-R70 PolarHBondContact OD2-NH2 2.83Å; A68-R70 VanDerWaalsContact C-N 3.33Å; A68-R70 PolarHBondContact O-N 3.4Å; R70-E72 VanDerWaalsContact C-N 3.35Å; R70-E72 PolarHBondContact O-N 3.06Å; R70-Q73 PolarHBondContact O-N 3.28Å; R70-E74 PolarHBondContact O-N 3.21Å
71R70.8Confident64.9Low152 Ų152118.6 Ų118.657%0.57458%0.583SS**Hα-helixtrans-65.1-36.8177.3-74-178.7-70.3-166.13112.3D67 A68 E74 T75D67-R71 WeakPolarHBondContact O-CG 3.49Å; D67-R71 PolarHBondContact O-N 2.94Å; D67-R71 PolarHBondContact O-NE 3.48Å; A68-R71 PolarHBondContact O-N 3.47Å; R71-E74 PolarHBondContact O-N 3.46Å; R71-T75 WeakPolarHBondContact O-CG2 3.3Å; R71-T75 PolarHBondContact O-N 3.44Å; R71-T75 PolarHBondContact O-OG1 2.91Å
72E68.8Low63.5Low124 Ų124118.9 Ų118.958%0.57959%0.592SS**Hα-helixtrans-65.9-39.3176.4-165176.4-170.400112.4A68 A69 R70 E74 T75 L76A68-E72 PolarHBondContact O-N 3.49Å; A69-E72 PolarHBondContact O-N 3.15Å; R70-E72 VanDerWaalsContact C-N 3.35Å; R70-E72 PolarHBondContact O-N 3.06Å; E72-E74 VanDerWaalsContact C-N 3.31Å; E72-E74 PolarHBondContact O-N 3.1Å; E72-T75 WeakPolarHBondContact CA-OG1 3.49Å; E72-T75 PolarHBondContact O-N 2.82Å; E72-T75 PolarHBondContact O-OG1 3.15Å; E72-L76 HydrophobicContact CG-CD1 4.13Å; E72-L76 WeakPolarHBondContact O-CB 3.31Å; E72-L76 WeakPolarHBondContact O-CD1 3.42Å; E72-L76 WeakPolarHBondContact O-CG 3.34Å; E72-L76 PolarHBondContact O-N 3.22Å
73Q64.8Low62.2Low124 Ų124123.1 Ų123.158%0.57961%0.605SS**Hα-helixtrans-63.6-35.7172.6-107.3-161.116.100112.9A69 R70 K77A69-Q73 PolarHBondContact O-N 2.89Å; A69-Q73 VanDerWaalsContact O-N 3.13Å; R70-Q73 PolarHBondContact O-N 3.28Å; Q73-K77 WeakPolarHBondContact O-CB 3.36Å; Q73-K77 WeakPolarHBondContact O-CG 3.35Å; Q73-K77 PolarHBondContact O-N 3.25Å
74E67.1Low60.7Low103 Ų103121.8 Ų121.848%0.48161%0.612SS.*Hα-helixtrans-70.9-34.2175.7-71.1-169.3173.400112.7R70 R71 E72 K78R70-E74 PolarHBondContact O-N 3.21Å; R71-E74 PolarHBondContact O-N 3.46Å; E72-E74 VanDerWaalsContact C-N 3.31Å; E72-E74 PolarHBondContact O-N 3.1Å; E74-K78 VanDerWaalsContact O-CG 3.28Å; E74-K78 WeakPolarHBondContact O-CG 3.43Å; E74-K78 PolarHBondContact O-N 3.43Å; E74-K78 VanDerWaalsContact O-N 3.09Å
75T65.7Low59.9Low76 Ų76118 Ų11847%0.46661%0.609SS.*Hα-helixtrans-74.2-31.3175.160.80000112.3R71 E72 K79R71-T75 WeakPolarHBondContact O-CG2 3.3Å; R71-T75 PolarHBondContact O-N 3.44Å; R71-T75 PolarHBondContact O-OG1 2.91Å; E72-T75 WeakPolarHBondContact CA-OG1 3.49Å; E72-T75 PolarHBondContact O-N 2.82Å; E72-T75 PolarHBondContact O-OG1 3.15Å; T75-K79 PolarHBondContact O-N 3.35Å
76L62.6Low58.3Low107 Ų107120.7 Ų120.756%0.5662%0.624SS**Hα-helixtrans-68.6-43.2170.4-80154.1000111.8E72 K78 K79 A80E72-L76 HydrophobicContact CG-CD1 4.13Å; E72-L76 WeakPolarHBondContact O-CB 3.31Å; E72-L76 WeakPolarHBondContact O-CD1 3.42Å; E72-L76 WeakPolarHBondContact O-CG 3.34Å; E72-L76 PolarHBondContact O-N 3.22Å; L76-K78 VanDerWaalsContact C-N 3.27Å; L76-K78 PolarHBondContact O-N 2.79Å; L76-K79 PolarHBondContact O-N 2.91Å; L76-K79 VanDerWaalsContact O-N 3.07Å; L76-A80 PolarHBondContact O-N 2.68Å
77K60.1Low56.7Low152 Ų152122.3 Ų122.366%0.66164%0.638SS**Hα-helixtrans-62.4-32.4174.1-78.6174.6178.9174.80112.6Q73 K79 A80Q73-K77 WeakPolarHBondContact O-CB 3.36Å; Q73-K77 WeakPolarHBondContact O-CG 3.35Å; Q73-K77 PolarHBondContact O-N 3.25Å; K77-K79 VanDerWaalsContact C-N 3.27Å; K77-K79 PolarHBondContact O-N 3.32Å; K77-A80 PolarHBondContact O-N 2.89Å
78K58.9Low55.5Low161 Ų161126 Ų12670%0.766%0.657SS**THydrogen-bonded Turntrans-73-12.5174.7-74.3168.2-177.8168.70114.2E74 L76E74-K78 VanDerWaalsContact O-CG 3.28Å; E74-K78 WeakPolarHBondContact O-CG 3.43Å; E74-K78 PolarHBondContact O-N 3.43Å; E74-K78 VanDerWaalsContact O-N 3.09Å; L76-K78 VanDerWaalsContact C-N 3.27Å; L76-K78 PolarHBondContact O-N 2.79Å
79K55.6Low54Low183 Ų183129.8 Ų129.880%0.79667%0.674SS**THydrogen-bonded Turntrans-97.2-9.8175-79.5171.7176177.70114T75 L76 K77 T81T75-K79 PolarHBondContact O-N 3.35Å; L76-K79 PolarHBondContact O-N 2.91Å; L76-K79 VanDerWaalsContact O-N 3.07Å; K77-K79 VanDerWaalsContact C-N 3.27Å; K77-K79 PolarHBondContact O-N 3.32Å; K79-T81 PolarHBondContact O-N 3.14Å
80A52.4Low52.3Low72 Ų72132.2 Ų132.260%0.59570%0.703SS**  trans-9780.3172.700000110.2L76 K77L76-A80 PolarHBondContact O-N 2.68Å; K77-A80 PolarHBondContact O-N 2.89Å
81T44.1Very low50.7Low126 Ų126129.1 Ų129.177%0.77371%0.714SS**  trans-97.4116.8152.158.40000108K79K79-T81 PolarHBondContact O-N 3.14Å
82P42.2Very low49.1Very low116 Ų116128.3 Ų128.375%0.75373%0.725SS**  trans-106.2125.9130.927.5-18.3000106.8L84P82-L84 PolarHBondContact O-N 3.31Å
83K43.9Very low47.6Very low199 Ų199128.1 Ų128.187%0.86574%0.738SS**  trans-47.1128.4168.6-66.5172.8176.6173.40108.9
84L34.1Very low46.6Very low173 Ų173132.9 Ų132.991%0.90675%0.75SS**  trans-160.7116135.2-95.9170.4000107.5P82P82-L84 PolarHBondContact O-N 3.31Å
85S44.5Very low45.2Very low105 Ų105135.6 Ų135.673%0.73477%0.768SS**  trans-68.3134.5175.948.60000111
86L34.8Very low43.9Very low172 Ų172137.2 Ų137.290%0.90178%0.782SS**  trans-147.1114146.4-137.472.3000110.2
87S42.4Very low42.8Very low107 Ų107138.9 Ų138.975%0.74880%0.797SS**  trans-75.3129.6175.918.30000110.5
88I40.6Very low41.6Very low166 Ų166136 Ų13685%0.85180%0.801SS**  trans-128128155.1-76.8-172.6000108.9
89T41.3Very low40.6Very low136 Ų136134.7 Ų134.783%0.83481%0.807SS**  trans-86.9155.6-176.9460000111.5
90G33.8Very low40.1Very low85 Ų85131.6 Ų131.688%0.87681%0.805SS**  trans121.6113.5166.800000111
91G36.2Very low40Very low73 Ų73133.7 Ų133.775%0.75381%0.813SS**  cis14694.717.900000105.4S93G91-S93 PolarHBondContact O-N 2.92Å
92V38Very low39.7Very low135 Ų135138.4 Ų138.482%0.81882%0.817SS**  trans-75.1113.8179.3-108.10000109.7
93S37.3Very low39.5Very low120 Ų120141.7 Ų141.784%0.83982%0.822SS**  trans-84.9124.6168.6-86.80000110.6G91G91-S93 PolarHBondContact O-N 2.92Å
94R42.9Very low39.2Very low223 Ų223136.5 Ų136.584%0.84281%0.81SS**  trans-116.2115.5-177.720.3175.7163.7168.4-3.5105.7
95N37.4Very low39.3Very low160 Ų160136 Ų13686%0.85681%0.809SS**  trans-109.2103.8170.8-88.433.5000109.9
96S38.8Very low38.7Very low110 Ų110134.7 Ų134.777%0.76981%0.812SS**  trans-87.6131.916147.90000109.4
97V39.8Very low38.8Very low143 Ų143133.5 Ų133.587%0.86781%0.806SS**  trans-137.4137.6159-179.10000109.5
98A34.3Very low38.5Very low91 Ų91136.2 Ų136.275%0.75281%0.811SS**  trans-85.8154.6-167.400000114.5
99T38.1Very low38.7Very low134 Ų134134 Ų13482%0.82281%0.806SS**  trans-64.8172.4149.633.90000110.8
100P46Very low38.9Very low117 Ų117133.2 Ų133.276%0.7680%0.803SS**  cis-140.2-154.518.640.3-15.2000111.6
101P48.8Very low39.8Very low116 Ų116134.5 Ų134.575%0.75380%0.796SS**  cis-138.5-174.45.541.7-18.7000118.1
102R38.5Very low39.6Very low225 Ų225138 Ų13885%0.84980%0.802SS**  trans-91.8142.9-159.8-171.6178.9-175.2-108.23.5112.5
103H38.7Very low39.6Very low186 Ų186137.8 Ų137.886%0.86180%0.802SS**  trans-133.2164.4158.9-66.9-82.7000111
104S37.2Very low40.4Very low89 Ų89137.3 Ų137.362%0.62280%0.796SS**  trans-118.8150.9-141.2156.40000112.5
105N36Very low40.8Very low163 Ų163131.6 Ų131.687%0.87279%0.788SS**  trans63.2134.2154.2-65.61.6000121.4
106G31.8Very low40.7Very low78 Ų78131.2 Ų131.280%0.80478%0.784SS**  trans167.883.8162.600000114.6
107N37.5Very low40.7Very low146 Ų146131.9 Ų131.978%0.78178%0.784SS**  trans-56.5150.5159.2-178.736.8000110.7
108L36.3Very low41.2Very low164 Ų164130.4 Ų130.486%0.85978%0.777SS**  trans171.4111.9145.8-88.6178.2000110.9
109T43.3Very low41.3Very low119 Ų119131.5 Ų131.573%0.7378%0.779SS**  trans-64.4165.4151.244.30000109.7
110P47.1Very low41.1Very low121 Ų121130.8 Ų130.879%0.78678%0.779SS**  -154.7-142.953.634.7-5.6000114
111P51.5Low40.9Very low112 Ų112129.3 Ų129.373%0.72777%0.772SS**  -115.3167.5-86.436.3-19.6000114.3
112V32.8Very low40.3Very low145 Ų145132.3 Ų132.388%0.87977%0.773SS**  trans-124.6131.4169.5-177.20000110.4
113T38.7Very low40.3Very low131 Ų131132.4 Ų132.480%0.80477%0.774SS**  trans-167.2165161.2-2.20000107.2
114P53.2Low40.5Very low111 Ų111128.1 Ų128.172%0.72177%0.765SS**  cis-136.8-149.3-3.243.4-22.5000111.3
115P51.9Low40.5Very low103 Ų103129.2 Ų129.267%0.66977%0.772SS**  cis-130.9152.6-21.130.1-8.6000117.1
116I35.2Very low40.9Very low152 Ų152127.7 Ų127.778%0.77977%0.769SS**  45.5107.5125.2-45.2175.4000121.7
117T37.4Very low41.8Very low124 Ų124129.5 Ų129.576%0.76177%0.767SS**  21.9166.212825.30000123.4
118P51.3Low42.1Very low111 Ų111129.2 Ų129.272%0.72177%0.771SS**  cis-146.4165.628.437.9-14.3000121.3
119S37.2Very low42.1Very low114 Ų114124.4 Ų124.480%0.79776%0.76SS**  trans54.5127139.2-60.20000124.3
120S31.9Very low42Very low119 Ų119123.8 Ų123.883%0.83276%0.761SS**  -169141.6107.568.20000113.6
121S42.8Very low42Very low87 Ų87125.5 Ų125.561%0.60876%0.759SS**  trans-84.2-178.3-168.2-45.50000115.9
122F35.9Very low41.7Very low178 Ų178130.2 Ų130.278%0.78176%0.763SS**  trans10899.5152.6-52.7-61.8000114.8
123R39Very low42.2Very low227 Ų227129.6 Ų129.686%0.85776%0.755SS**  74.3130.487.6-81.3-171.7169-160.3-6.8110.8
124S42.1Very low42.7Very low96 Ų96130.4 Ų130.467%0.67176%0.755SS**  cis-168.8170.16.9-74.70000107.5
125S37.3Very low42.6Very low112 Ų112132.9 Ų132.978%0.78376%0.757SS**  133.3101.9128.9-61.20000114.1
126T44Very low42.7Very low132 Ų132137 Ų13781%0.8177%0.767SS**  trans-56.3157.4149.839.70000111.5
127P52.8Low43.4Very low116 Ų116136.1 Ų136.175%0.75377%0.768SS**  -137.9128.6107.431.2-15.6000113.9
128T43.8Very low43.7Very low140 Ų140136.4 Ų136.486%0.85977%0.765SS**  29.4131.2128.6-28.30000120
129G34.7Very low43.4Very low62 Ų62141.9 Ų141.964%0.63977%0.773SS**  trans152.1106.8139.800000116.9
130S42.5Very low44.1Very low107 Ų107144.1 Ų144.175%0.74877%0.771SS**  trans65.3103.3150.362.20000121.8
131E45.3Very low44.9Very low157 Ų157147.1 Ų147.173%0.73477%0.772SS**  14.7141.2121.169.1-164.713100122.6
132Y46.3Very low45.3Very low210 Ų210148 Ų14882%0.82478%0.778SS**  trans66.4137.4169.8-53.5-84.1000114.7
133D43Very low46Very low132 Ų132146.4 Ų146.471%0.70678%0.777SS**  cis-163.9157.749.7-168.1-145.9000110.7
134D49.9Very low46.4Very low149 Ų149139.6 Ų139.680%0.79777%0.765SS**  trans-92.8102.9-174.8-154.9-79.5000108.8
135E50.6Low46.9Very low163 Ų163141.3 Ų141.376%0.76277%0.766SS**  trans-137.9122.9170.9-64.9-153.5123.500112.9
136E54.5Low47.1Very low190 Ų190143.8 Ų143.889%0.88877%0.765SS**  trans-48.3123.7170.4-67-97.6135.400112
137V49.9Very low47.4Very low132 Ų132142.7 Ų142.780%0.876%0.764SS**  trans-115.1111.7169.5-69.40000110.9
138D43.6Very low47.3Very low130 Ų130148.2 Ų148.270%0.69577%0.77SS**  trans-46.1131.8170.9-171.546.8000112.8E140D138-E140 PolarHBondContact O-N 3.32Å
139Y45.6Very low47.4Very low227 Ų227148.3 Ų148.389%0.8977%0.77SS**  trans-76.296.8174.3-93.7-95.2000108.9E141Y139-E141 PolarHBondContact O-N 3.14Å; Y139-E141 VanDerWaalsContact O-N 3.13Å
140E51.3Low47.9Very low161 Ų161151.5 Ų151.575%0.75278%0.777SS**  trans-73.7104.7168.3-72-74.6-160.200110.1D138 S142D138-E140 PolarHBondContact O-N 3.32Å; E140-S142 PolarHBondContact O-N 3.48Å
141E49Very low48.4Very low182 Ų182154.4 Ų154.485%0.8578%0.779SS**  trans-66.793.7171.1-175.8101.5-139.600109Y139 D143Y139-E141 PolarHBondContact O-N 3.14Å; Y139-E141 VanDerWaalsContact O-N 3.13Å; E141-D143 PolarHBondContact O-N 2.95Å
142S50.9Low48.8Very low106 Ų106152.8 Ų152.874%0.74179%0.785SS**  trans-71.996.6171-169.20000109.6E140 S144E140-S142 PolarHBondContact O-N 3.48Å; S142-S144 PolarHBondContact O-N 3.22Å; S142-S144 VanDerWaalsContact O-N 3.14Å
143D50.3Low49Very low143 Ų143147.3 Ų147.377%0.76578%0.783SS**  trans-57.8109.4164-152.64.3000108.4E141E141-D143 PolarHBondContact O-N 2.95Å
144S46.4Very low49.2Very low85 Ų85147.9 Ų147.959%0.59479%0.785SS**  trans-133.282.2172.1-169.10000107.6S142 E146S142-S144 PolarHBondContact O-N 3.22Å; S142-S144 VanDerWaalsContact O-N 3.14Å; S144-E146 PolarHBondContact O-N 3.44Å; S144-E146 VanDerWaalsContact O-N 3.13Å
145D53.8Low49.5Very low132 Ų132143.6 Ų143.671%0.70677%0.766SS**  trans-62.683.2169.556.1-51.5000112.9
146E40.9Very low49.6Very low163 Ų163140.1 Ų140.176%0.76276%0.76SS**  trans-119.672.5160.3-81.1157.6118.100111.1S144 W148S144-E146 PolarHBondContact O-N 3.44Å; S144-E146 VanDerWaalsContact O-N 3.13Å; E146-W148 VanDerWaalsContact C-N 3.32Å; E146-W148 PolarHBondContact O-N 3.29Å
147S50.2Low49.5Very low110 Ų110137.3 Ų137.377%0.76975%0.747SS**  trans-67.386.5160.5-166.60000110.1
148W51.4Low49.8Very low232 Ų232134.9 Ų134.988%0.87974%0.736SS**  trans-139.289.3158.4-72.781.6000109.1E146E146-W148 VanDerWaalsContact C-N 3.32Å; E146-W148 PolarHBondContact O-N 3.29Å
149T44.5Very low50.5Low141 Ų141134.5 Ų134.587%0.86573%0.733SS**  trans178.888.6132.729.90000107.4E151T149-E151 PolarHBondContact O-N 3.15Å; T149-E151 VanDerWaalsContact O-N 3.13Å
150T45.6Very low51.1Low130 Ų130129.6 Ų129.680%0.79872%0.721SS**  trans-50.2114.4167.530.90000110.3
151E52.3Low51.1Low167 Ų167127.1 Ų127.178%0.7872%0.722SS**SBendtrans-16.8135.8135.662.2-158.4154.200113.9T149T149-E151 PolarHBondContact O-N 3.15Å; T149-E151 VanDerWaalsContact O-N 3.13Å
152S54.5Low51.5Low124 Ų124123.2 Ų123.287%0.86772%0.715SS**  trans113.754.2167.9-45.50000117.7
153A51.7Low51.8Low95 Ų95126 Ų12679%0.78572%0.718SS**SBendtrans-153.126162.500000117.7
154I46.5Very low52Low143 Ų143124.8 Ų124.873%0.73372%0.719SS**SBendtrans-137.598.5162.4-43.6175.6000107.8
155S56.3Low52.5Low59 Ų59128.9 Ų128.941%0.41373%0.731SS.*  trans-68.2136.1-178.7980000110E157 S158S155-E157 WeakPolarHBondContact CB-OE1 2.9Å; S155-E157 PolarHBondContact O-N 3.29Å; S155-E157 WeakPolarHBondContact OG-CG 3.46Å; S155-E157 PolarHBondContact OG-OE1 3.32Å; S155-S158 PolarHBondContact O-N 3.35Å
156S51.6Low52.3Low90 Ų90131 Ų13163%0.62974%0.742SS**THydrogen-bonded Turntrans-61.6-13.1-17037.60000113.7
157E53.6Low52.5Low131 Ų131127 Ų12761%0.61275%0.745SS**THydrogen-bonded Turntrans-84.2-21.617955.7-116.5131.500114.9S155 I159 L160S155-E157 WeakPolarHBondContact CB-OE1 2.9Å; S155-E157 PolarHBondContact O-N 3.29Å; S155-E157 WeakPolarHBondContact OG-CG 3.46Å; S155-E157 PolarHBondContact OG-OE1 3.32Å; E157-I159 PolarHBondContact O-N 3.03Å; E157-L160 PolarHBondContact O-N 3.2Å
158S56.1Low52.5Low81 Ų81124.8 Ų124.857%0.56674%0.739SS**THydrogen-bonded Turntrans-71.8-18.1173.4-70.10000113S155S155-S158 PolarHBondContact O-N 3.35Å
159I58.6Low52.7Low122 Ų122120.5 Ų120.563%0.62673%0.729SS**THydrogen-bonded Turntrans-79.2-25.6-178.6-59.6178.6000111.6E157E157-I159 PolarHBondContact O-N 3.03Å
160L58Low53.6Low124 Ų124120.9 Ų120.965%0.64972%0.721SS**THydrogen-bonded Turntrans-89.9-18.3-174.4-77.2138000114.5E157 S162E157-L160 PolarHBondContact O-N 3.2Å; L160-S162 PolarHBondContact O-N 3.05Å
161S51.7Low54.7Low109 Ų109118.9 Ų118.976%0.76270%0.702SS**SBendtrans-871.3-176.1-69.90000115.2
162S55.7Low56Low101 Ų101115.3 Ų115.371%0.70669%0.693SS**  trans-107.446.6-176.2-54.10000113L160L160-S162 PolarHBondContact O-N 3.05Å
163M58.7Low57.4Low164 Ų164112.8 Ų112.881%0.80867%0.666SS**  trans-100.396.4172.1-64.2-152.3-176.300111.1
164C53.7Low59.2Low117 Ų117110.9 Ų110.979%0.79165%0.65SS**  trans-157.1101.4153.742.20000112.1
165M57.9Low61.2Low172 Ų172104.6 Ų104.685%0.84762%0.619SS**  trans33106.6145.9-53.8-57.6162.300118.3
166N48.6Very low62.6Low175 Ų175107.3 Ų107.394%0.93664%0.635SS**  trans-162.2135.9130.7-92.3-48.5000110.7
167G45.8Very low64Low80 Ų80104.7 Ų104.783%0.82562%0.615SS**  trans-70.6155.7-156.700000117.2
168G50.1Low65.1Low63 Ų63104.5 Ų104.565%0.64963%0.626SS**SBendtrans97.7106.9150.500000115
169E54.3Low66.2Low143 Ų143104.5 Ų104.567%0.66864%0.638SS**  trans89.297.5167-47.8-173.8-144.200116.2K171E169-K171 PolarHBondContact O-N 3.04Å
170E64.3Low67.4Low148 Ų148100 Ų10069%0.69262%0.618SS**SBendtrans-61.844.6173.7-58.8-175.3153.300114.7P172 K185E170-P172 VanDerWaalsContact C-CD 3.48Å; E170-P172 WeakPolarHBondContact O-CD 3.29Å; E170-K185 IonicContact OE2-NZ 3.68Å; E170-K185 PolarHBondContact OE2-NZ 3.09Å; E170-K185 VanDerWaalsContact OE2-NZ 3.12Å
171K69.4Low68.7Low89 Ų89103.6 Ų103.639%0.38763%0.628SS.*  trans-123.776.1-179.7-64.7-178.8-172.4169.70109.1E169 F173 R183 Y184 K185E169-K171 PolarHBondContact O-N 3.04Å; K171-F173 PolarHBondContact O-N 2.99Å; K171-R183 HydrophobicContact CB-CB 3.81Å; K171-R183 WeakPolarHBondContact CD-O 3.45Å; K171-R183 PolarHBondContact O-NE 3.48Å; K171-R183 VanDerWaalsContact O-NE 3.15Å; K171-R183 PolarHBondContact O-NH2 2.77Å; K171-Y184 CarbonylContact C-O 3.51Å; K171-Y184 VanDerWaalsContact CA-O 3.24Å; K171-Y184 WeakPolarHBondContact CA-O 3.36Å; K171-Y184 WeakPolarHBondContact CB-O 3.39Å; K171-K185 HydrophobicContact CG-CB 4.26Å
172P79.6Confident70.3Confident92 Ų92104.3 Ų104.360%0.59762%0.618SS**  trans-64.5-19.5-174.922.8-30.2000112.8E170 A174E170-P172 VanDerWaalsContact C-CD 3.48Å; E170-P172 WeakPolarHBondContact O-CD 3.29Å; P172-A174 PolarHBondContact O-N 3.04Å
173F84.1Confident72Confident70 Ų70104.8 Ų104.831%0.30760%0.604SS.*EExtended strand (participates in β ladder)trans-93.794.6-176.2-53.7-74.8000111.7K171 R183 Y184 K185 V187 I190K171-F173 PolarHBondContact O-N 2.99Å; F173-R183 CarbonylContact O-C 3.58Å; F173-R183 VanDerWaalsContact O-CA 3.31Å; F173-R183 WeakPolarHBondContact O-CA 3.45Å; F173-Y184 PolarHBondContact N-O 3.18Å; F173-Y184 PolarHBondContact O-N 2.89Å; F173-K185 WeakPolarHBondContact CE2-O 3.41Å; F173-V187 HydrophobicContact CD1-CG2 3.93Å; F173-V187 HydrophobicContact CE1-CG2 3.34Å; F173-V187 HydrophobicContact CE2-CG2 4.1Å; F173-V187 HydrophobicContact CZ-CG2 3.43Å; F173-V187 VanDerWaalsContact CZ-CG2 3.43Å; F173-I190 HydrophobicContact CB-CB 4.17Å; F173-I190 HydrophobicContact CB-CD1 4.12Å; F173-I190 HydrophobicContact CB-CG2 3.87Å; F173-I190 HydrophobicContact CG-CG2 4.37Å
174A89.1Confident73.5Confident55 Ų5599.7 Ų99.746%0.45558%0.576SS.*EExtended strand (participates in β ladder)trans-91.8140.1174.500000111.9P172 R183 I190P172-A174 PolarHBondContact O-N 3.04Å; A174-R183 HydrophobicContact CB-CG 3.93Å; A174-I190 VanDerWaalsContact C-CD1 3.42Å; A174-I190 WeakPolarHBondContact O-CD1 3.35Å
175C88.8Confident75.1Confident11 Ų11100.7 Ų100.77%0.07457%0.567CS.*  trans-65.2129.2176.5-171.90000111.6V177 C180 K182 H193 H198C175-V177 PolarHBondContact O-N 3.38Å; C175-C180 HydrophobicContact CB-CB 4.16Å; C175-K182 PolarHBondContact N-O 3.5Å; C175-H193 VanDerWaalsContact SG-CD2 3.57Å; C175-H198 VanDerWaalsContact SG-CD2 3.53Å; C175-H198 PolarHBondContact SG-NE2 3.3Å
176P85.5Confident76.5Confident116 Ų11696.4 Ų96.475%0.75355%0.548SS*.  trans-76.8-4.4-17831-36.7000114.2
177V80Confident78.3Confident35 Ų3592 Ų9221%0.21253%0.527CS..SBendtrans-74.3124-176.4177.10000110.4C175 G179 C180 H198C175-V177 PolarHBondContact O-N 3.38Å; V177-G179 PolarHBondContact O-N 2.74Å; V177-C180 HydrophobicContact CB-CB 4.08Å; V177-C180 WeakPolarHBondContact O-CB 3.11Å; V177-C180 PolarHBondContact O-N 2.79Å; V177-H198 HydrophobicContact CG2-CB 4.36Å
178P78.1Confident80.4Confident127 Ų12793.9 Ų93.983%0.82552%0.518SS*.THydrogen-bonded Turntrans-60.4124.2-17923.6-32.9000110.6
179G77.4Confident82.3Confident81 Ų8191.7 Ų91.784%0.83550%0.495SS*.THydrogen-bonded Turntrans92.6-8.1-175.200000115V177V177-G179 PolarHBondContact O-N 2.74Å
180C85.3Confident84Confident29 Ų2986.1 Ų86.120%0.19647%0.47CS..  trans-90.6117.1170.9-162.50000111C175 V177 H193 H198C175-C180 HydrophobicContact CB-CB 4.16Å; V177-C180 HydrophobicContact CB-CB 4.08Å; V177-C180 WeakPolarHBondContact O-CB 3.11Å; V177-C180 PolarHBondContact O-N 2.79Å; C180-H193 PolarHBondContact SG-NE2 3.17Å; C180-H198 VanDerWaalsContact CB-CE1 3.41Å; C180-H198 WeakPolarHBondContact CB-CE1 3.13Å; C180-H198 PolarHBondContact SG-CE1 3.27Å; C180-H198 PolarHBondContact SG-NE2 3.15Å
181K85.2Confident85.1Confident199 Ų19986.4 Ų86.487%0.86547%0.469SS*.  trans-97.510.9-179.5-59.5-177-178.5-177.90113.3
182K85.7Confident86.1Confident124 Ų12490 Ų9054%0.53948%0.481SS..  trans-76.7132-177.5-66.3-154.3-179.9-173.50111.1C175 Y184C175-K182 PolarHBondContact N-O 3.5Å; K182-Y184 HydrophobicContact CB-CE2 3.85Å; K182-Y184 WeakPolarHBondContact CD-OH 3.41Å
183R90.3Very high86.7Confident111 Ų11186.1 Ų86.142%0.41946%0.455SS..EExtended strand (participates in β ladder)trans-123.3145.1175.4-57.3177.871.4-1765.5109.6K171 F173 A174K171-R183 HydrophobicContact CB-CB 3.81Å; K171-R183 WeakPolarHBondContact CD-O 3.45Å; K171-R183 PolarHBondContact O-NE 3.48Å; K171-R183 VanDerWaalsContact O-NE 3.15Å; K171-R183 PolarHBondContact O-NH2 2.77Å; F173-R183 CarbonylContact O-C 3.58Å; F173-R183 VanDerWaalsContact O-CA 3.31Å; F173-R183 WeakPolarHBondContact O-CA 3.45Å; A174-R183 HydrophobicContact CB-CG 3.93Å
184Y90.2Very high86.8Confident56 Ų5685.3 Ų85.322%0.2246%0.461CS..EExtended strand (participates in β ladder)trans-126.3149.6-175.9-66.3-88.9000111.1K171 F173 K182 N186 I190 H193K171-Y184 CarbonylContact C-O 3.51Å; K171-Y184 VanDerWaalsContact CA-O 3.24Å; K171-Y184 WeakPolarHBondContact CA-O 3.36Å; K171-Y184 WeakPolarHBondContact CB-O 3.39Å; F173-Y184 PolarHBondContact N-O 3.18Å; F173-Y184 PolarHBondContact O-N 2.89Å; K182-Y184 HydrophobicContact CB-CE2 3.85Å; K182-Y184 WeakPolarHBondContact CD-OH 3.41Å; Y184-N186 VanDerWaalsContact C-N 3.3Å; Y184-I190 HydrophobicContact CD2-CB 4.01Å; Y184-I190 HydrophobicContact CD2-CG1 4.49Å; Y184-I190 HydrophobicContact CG-CB 4.41Å; Y184-H193 HydrophobicContact CD2-CB 4.37Å; Y184-H193 HydrophobicContact CE1-CB 4.44Å; Y184-H193 HydrophobicContact CE2-CB 3.49Å; Y184-H193 VanDerWaalsContact CE2-CB 3.49Å; Y184-H193 AromaticContact CE2-CD2 3.62Å; Y184-H193 AromaticContact CE2-CG 3.44Å; Y184-H193 VanDerWaalsContact CE2-CG 3.44Å; Y184-H193 AromaticContact CZ-CG 3.65Å; Y184-H193 WeakPolarHBondContact OH-CB 3.45Å; Y184-H193 VanDerWaalsContact OH-CG 3.25Å; Y184-H193 PolarHBondContact OH-ND1 3.39Å; Y184-H193 VanDerWaalsContact OH-ND1 3.15Å
185K88.1Confident86.4Confident138 Ų13890.5 Ų90.560%0.647%0.473SS*.SBendtrans-74.2-22.9178.4-174.6163.7179.1154.10112.2E170 K171 F173E170-K185 IonicContact OE2-NZ 3.68Å; E170-K185 PolarHBondContact OE2-NZ 3.09Å; E170-K185 VanDerWaalsContact OE2-NZ 3.12Å; K171-K185 HydrophobicContact CG-CB 4.26Å; F173-K185 WeakPolarHBondContact CE2-O 3.41Å
186N86.9Confident86Confident83 Ų8393 Ų9344%0.44449%0.485SS..SBendtrans-137.8159.2-175.859.412.6000112.6Y184 N188 G189 I190Y184-N186 VanDerWaalsContact C-N 3.3Å; N186-N188 VanDerWaalsContact C-N 3.26Å; N186-N188 PolarHBondContact O-N 2.54Å; N186-G189 PolarHBondContact O-N 3.21Å; N186-G189 WeakPolarHBondContact OD1-CA 3.38Å; N186-G189 PolarHBondContact OD1-N 3.49Å; N186-I190 PolarHBondContact O-N 3.34Å
187V85.8Confident85.8Confident82 Ų8289.2 Ų89.250%0.49747%0.468SS..Hα-helixtrans-61.2-35.5176.8-176.60000111.4F173 G189 I190 K191F173-V187 HydrophobicContact CD1-CG2 3.93Å; F173-V187 HydrophobicContact CE1-CG2 3.34Å; F173-V187 HydrophobicContact CE2-CG2 4.1Å; F173-V187 HydrophobicContact CZ-CG2 3.43Å; F173-V187 VanDerWaalsContact CZ-CG2 3.43Å; V187-G189 PolarHBondContact O-N 3.34Å; V187-I190 WeakPolarHBondContact O-CG2 3.3Å; V187-I190 PolarHBondContact O-N 3.47Å; V187-K191 WeakPolarHBondContact O-CB 3.24Å; V187-K191 PolarHBondContact O-N 3.01Å
188N90.5Very high85.6Confident120 Ų12088.1 Ų88.164%0.64246%0.46SS*.Hα-helixtrans-63.3-42-179.3-66.2-17.3000112.1N186 K191 Y192N186-N188 VanDerWaalsContact C-N 3.26Å; N186-N188 PolarHBondContact O-N 2.54Å; N188-K191 PolarHBondContact O-N 3.37Å; N188-Y192 PolarHBondContact O-N 3.46Å
189G90.3Very high85.1Confident16 Ų1692.1 Ų92.117%0.16546%0.459CS..Hα-helixtrans-63.8-41.9177.500000112.6N186 V187 H193N186-G189 PolarHBondContact O-N 3.21Å; N186-G189 WeakPolarHBondContact OD1-CA 3.38Å; N186-G189 PolarHBondContact OD1-N 3.49Å; V187-G189 PolarHBondContact O-N 3.34Å; G189-H193 VanDerWaalsContact O-CB 3.26Å; G189-H193 WeakPolarHBondContact O-CB 3.31Å; G189-H193 PolarHBondContact O-N 3.12Å
190I89.4Confident84.2Confident27 Ų2794.2 Ų94.214%0.13846%0.456CS..Hα-helixtrans-72.1-35.1175.9-171.2167.4000112.3F173 A174 Y184 N186 V187 H193 A194F173-I190 HydrophobicContact CB-CB 4.17Å; F173-I190 HydrophobicContact CB-CD1 4.12Å; F173-I190 HydrophobicContact CB-CG2 3.87Å; F173-I190 HydrophobicContact CG-CG2 4.37Å; A174-I190 VanDerWaalsContact C-CD1 3.42Å; A174-I190 WeakPolarHBondContact O-CD1 3.35Å; Y184-I190 HydrophobicContact CD2-CB 4.01Å; Y184-I190 HydrophobicContact CD2-CG1 4.49Å; Y184-I190 HydrophobicContact CG-CB 4.41Å; N186-I190 PolarHBondContact O-N 3.34Å; V187-I190 WeakPolarHBondContact O-CG2 3.3Å; V187-I190 PolarHBondContact O-N 3.47Å; I190-H193 PolarHBondContact O-N 3.44Å; I190-A194 VanDerWaalsContact O-CB 3.3Å; I190-A194 WeakPolarHBondContact O-CB 3.41Å; I190-A194 PolarHBondContact O-N 2.85Å
191K87.4Confident82.7Confident154 Ų15498.6 Ų98.667%0.6747%0.474SS*.Hα-helixtrans-62.1-46.3175.4-173176.1-176.9177.30111.1V187 N188 A194 K195V187-K191 WeakPolarHBondContact O-CB 3.24Å; V187-K191 PolarHBondContact O-N 3.01Å; N188-K191 PolarHBondContact O-N 3.37Å; K191-A194 PolarHBondContact O-N 3.39Å; K191-K195 WeakPolarHBondContact O-CB 3.49Å; K191-K195 PolarHBondContact O-N 3Å
192Y90.4Very high81.4Confident163 Ų16394.2 Ų94.264%0.63946%0.458SS*.Hα-helixtrans-62.2-44.9173.9179.9-90.8000111.6N188 A194 K195 N196N188-Y192 PolarHBondContact O-N 3.46Å; Y192-A194 PolarHBondContact O-N 2.77Å; Y192-K195 PolarHBondContact O-N 3.04Å; Y192-N196 VanDerWaalsContact CD2-ND2 3.28Å; Y192-N196 WeakPolarHBondContact CD2-ND2 3.14Å; Y192-N196 HydrophobicContact CE1-CB 4.35Å; Y192-N196 WeakPolarHBondContact CE2-ND2 3.48Å; Y192-N196 PolarHBondContact O-N 3.35Å
193H91.3Very high80Confident12 Ų1299 Ų996%0.05647%0.473CS..Iπ-helixtrans-62.8-40.9178.7176.463.4000113C175 C180 Y184 G189 I190 G197 H198C175-H193 VanDerWaalsContact SG-CD2 3.57Å; C180-H193 PolarHBondContact SG-NE2 3.17Å; Y184-H193 HydrophobicContact CD2-CB 4.37Å; Y184-H193 HydrophobicContact CE1-CB 4.44Å; Y184-H193 HydrophobicContact CE2-CB 3.49Å; Y184-H193 VanDerWaalsContact CE2-CB 3.49Å; Y184-H193 AromaticContact CE2-CD2 3.62Å; Y184-H193 AromaticContact CE2-CG 3.44Å; Y184-H193 VanDerWaalsContact CE2-CG 3.44Å; Y184-H193 AromaticContact CZ-CG 3.65Å; Y184-H193 WeakPolarHBondContact OH-CB 3.45Å; Y184-H193 VanDerWaalsContact OH-CG 3.25Å; Y184-H193 PolarHBondContact OH-ND1 3.39Å; Y184-H193 VanDerWaalsContact OH-ND1 3.15Å; G189-H193 VanDerWaalsContact O-CB 3.26Å; G189-H193 WeakPolarHBondContact O-CB 3.31Å; G189-H193 PolarHBondContact O-N 3.12Å; I190-H193 PolarHBondContact O-N 3.44Å; H193-G197 WeakPolarHBondContact O-CA 3.47Å; H193-G197 PolarHBondContact O-N 3.27Å; H193-H198 AromaticContact CD2-NE2 3.88Å; H193-H198 AromaticContact CE1-NE2 3.63Å; H193-H198 AromaticContact NE2-CD2 3.8Å; H193-H198 AromaticContact NE2-NE2 3.09Å; H193-H198 PolarHBondContact NE2-NE2 3.31Å
194A86.3Confident78.4Confident52 Ų5298 Ų9843%0.4348%0.479SS..Iπ-helixtrans-64.3-43.6175.500000111.2I190 K191 Y192I190-A194 VanDerWaalsContact O-CB 3.3Å; I190-A194 WeakPolarHBondContact O-CB 3.41Å; I190-A194 PolarHBondContact O-N 2.85Å; K191-A194 PolarHBondContact O-N 3.39Å; Y192-A194 PolarHBondContact O-N 2.77Å
195K82Confident76.9Confident164 Ų164106.3 Ų106.371%0.71351%0.51SS*.Iπ-helixtrans-68.2-42.6-178.8-170.9173.9-178.7177.30113.1K191 Y192K191-K195 WeakPolarHBondContact O-CB 3.49Å; K191-K195 PolarHBondContact O-N 3Å; Y192-K195 PolarHBondContact O-N 3.04Å
196N80.7Confident75.9Confident63 Ų63104.7 Ų104.734%0.33750%0.503SS..Iπ-helixtrans-111.4-28.9-169.6-63.3-50.1000114Y192Y192-N196 VanDerWaalsContact CD2-ND2 3.28Å; Y192-N196 WeakPolarHBondContact CD2-ND2 3.14Å; Y192-N196 HydrophobicContact CE1-CB 4.35Å; Y192-N196 WeakPolarHBondContact CE2-ND2 3.48Å; Y192-N196 PolarHBondContact O-N 3.35Å
197G80.1Confident75.4Confident37 Ų37105.1 Ų105.138%0.38151%0.51SS..Iπ-helixtrans-80.8-23.2-174.400000114.8H193H193-G197 WeakPolarHBondContact O-CA 3.47Å; H193-G197 PolarHBondContact O-N 3.27Å
198H77.2Confident75.2Confident12 Ų12104.8 Ų104.86%0.05650%0.502CS..SBendtrans-109.97.9-177.1-71.8-58.6000115.2C175 V177 C180 H193 T200 Q201 I202C175-H198 VanDerWaalsContact SG-CD2 3.53Å; C175-H198 PolarHBondContact SG-NE2 3.3Å; V177-H198 HydrophobicContact CG2-CB 4.36Å; C180-H198 VanDerWaalsContact CB-CE1 3.41Å; C180-H198 WeakPolarHBondContact CB-CE1 3.13Å; C180-H198 PolarHBondContact SG-CE1 3.27Å; C180-H198 PolarHBondContact SG-NE2 3.15Å; H193-H198 AromaticContact CD2-NE2 3.88Å; H193-H198 AromaticContact CE1-NE2 3.63Å; H193-H198 AromaticContact NE2-CD2 3.8Å; H193-H198 AromaticContact NE2-NE2 3.09Å; H193-H198 PolarHBondContact NE2-NE2 3.31Å; H198-T200 PolarHBondContact O-N 2.99Å; H198-Q201 PolarHBondContact O-N 2.92Å; H198-I202 HydrophobicContact CB-CD1 4.44Å; H198-I202 HydrophobicContact CB-CG1 4.07Å; H198-I202 PolarHBondContact O-N 2.86Å
199R65.6Low75Confident211 Ų211106.4 Ų106.480%0.79650%0.504SS*.THydrogen-bonded Turntrans-56.9-23.7-177.7-141.1171-177.7170.8-1.2113.8
200T58.8Low74.8Confident126 Ų126106.3 Ų106.377%0.77350%0.5SS*.THydrogen-bonded Turntrans-110.7-14177.758.10000114.3H198H198-T200 PolarHBondContact O-N 2.99Å
201Q55.4Low74.5Confident121 Ų121117.3 Ų117.357%0.56554%0.54SS*.THydrogen-bonded Turntrans-111.1-8.6-169.6-68.2-74.25.900113.8H198 R203H198-Q201 PolarHBondContact O-N 2.92Å; Q201-R203 PolarHBondContact O-N 2.96Å
202I56.4Low74.4Confident106 Ų106112.8 Ų112.854%0.54453%0.527SS..  trans-65.791.6156-58.1171.2000104.4H198 V204H198-I202 HydrophobicContact CB-CD1 4.44Å; H198-I202 HydrophobicContact CB-CG1 4.07Å; H198-I202 PolarHBondContact O-N 2.86Å; I202-V204 HydrophobicContact CG2-CG2 3.83Å; I202-V204 PolarHBondContact O-N 3.41Å
203R56.8Low74Confident224 Ų224108 Ų10885%0.84553%0.527SS*.  trans-62.876.6160.3-71.4-174.5-179.6-162.90.7105.6Q201 R205Q201-R203 PolarHBondContact O-N 2.96Å; R203-R205 PolarHBondContact O-N 3.13Å
204V56.9Low73.6Confident91 Ų91112.5 Ų112.555%0.55255%0.547SS*.  trans-46.2113.6162179.60000102.6I202 K206I202-V204 HydrophobicContact CG2-CG2 3.83Å; I202-V204 PolarHBondContact O-N 3.41Å; V204-K206 WeakPolarHBondContact O-CG 3.38Å; V204-K206 PolarHBondContact O-N 3.05Å
205R58.1Low73.6Confident230 Ų230112 Ų11287%0.86854%0.54SS*.  trans-49.1102.5172.6-78.7-99.3-173.1120.5-2.5104.3R203 P207R203-R205 PolarHBondContact O-N 3.13Å; R205-P207 WeakPolarHBondContact O-CD 3.33Å; R205-P207 VanDerWaalsContact O-CG 3.31Å; R205-P207 WeakPolarHBondContact O-CG 3.35Å; R205-P207 VanDerWaalsContact O-N 3.08Å
206K68.3Low73.8Confident105 Ų105106.8 Ų106.846%0.45752%0.516SS..  trans-75.995.6-179.3-70.9-172.9177.9-174.30104.6V204 F208 S215 Y216V204-K206 WeakPolarHBondContact O-CG 3.38Å; V204-K206 PolarHBondContact O-N 3.05Å; K206-F208 PolarHBondContact O-N 2.92Å; K206-S215 VanDerWaalsContact CD-O 3.29Å; K206-S215 WeakPolarHBondContact CD-O 3.04Å; K206-S215 PolarHBondContact NZ-O 2.82Å; K206-Y216 WeakPolarHBondContact CB-O 3.49Å
207P74.8Confident73.8Confident91 Ų91111.8 Ų111.859%0.59154%0.535SS*.  trans-69.7-26-167.4-10.128000109.9R205 K209R205-P207 WeakPolarHBondContact O-CD 3.33Å; R205-P207 VanDerWaalsContact O-CG 3.31Å; R205-P207 WeakPolarHBondContact O-CG 3.35Å; R205-P207 VanDerWaalsContact O-N 3.08Å; P207-K209 PolarHBondContact O-N 2.94Å
208F83.1Confident74Confident75 Ų75113.2 Ų113.233%0.32954%0.536SS..EExtended strand (participates in β ladder)trans-95.2100.2-172.7-52.8-70.7000110.1K206 S215 Y216 S219 L222K206-F208 PolarHBondContact O-N 2.92Å; F208-S215 WeakPolarHBondContact O-CA 3.41Å; F208-Y216 PolarHBondContact O-N 3.05Å; F208-S219 VanDerWaalsContact CD2-N 3.29Å; F208-L222 HydrophobicContact CB-CB 3.89Å; F208-L222 HydrophobicContact CB-CD2 3.74Å; F208-L222 HydrophobicContact CB-CG 4.42Å
209K84.7Confident74.5Confident155 Ų155115.2 Ų115.267%0.67455%0.551SS**EExtended strand (participates in β ladder)trans-106.5131.4177.3-55.4-172.4179.8177.30110P207P207-K209 PolarHBondContact O-N 2.94Å
210C87.6Confident75.6Confident14 Ų14111.7 Ų111.710%0.09554%0.544CS..  trans-80.8154169.4-167.20000110.3C212 G213 K214 Y216 L222 H225 H230C210-C212 PolarHBondContact O-N 2.81Å; C210-C212 VanDerWaalsContact O-N 3.16Å; C210-C212 VanDerWaalsContact SG-SG 3.61Å; C210-G213 PolarHBondContact O-N 3.14Å; C210-K214 WeakPolarHBondContact CB-O 3.08Å; C210-K214 PolarHBondContact N-O 3.13Å; C210-Y216 HydrophobicContact CB-CE2 4.32Å; C210-L222 HydrophobicContact CB-CD1 3.44Å; C210-L222 VanDerWaalsContact CB-CD1 3.44Å; C210-H225 PolarHBondContact SG-CD2 3.02Å; C210-H225 PolarHBondContact SG-NE2 3.07Å; C210-H230 PolarHBondContact SG-CD2 2.9Å; C210-H230 PolarHBondContact SG-NE2 3.08Å; C210-H230 VanDerWaalsContact SG-NE2 3.44Å
211R82.6Confident77Confident258 Ų258106.8 Ų106.897%0.97452%0.519SS*.THydrogen-bonded Turntrans-64.8-16.4177.6-154.4125.370.3177.24.5113.3G213R211-G213 VanDerWaalsContact C-N 3.27Å; R211-G213 PolarHBondContact O-N 3.37Å
212C84.4Confident78.7Confident58 Ų58102.5 Ų102.539%0.39250%0.499SS..THydrogen-bonded Turntrans-82.64.6171.170.60000114.5C210 H225 H230C210-C212 PolarHBondContact O-N 2.81Å; C210-C212 VanDerWaalsContact O-N 3.16Å; C210-C212 VanDerWaalsContact SG-SG 3.61Å; C212-H225 PolarHBondContact SG-NE2 2.63Å; C212-H230 WeakPolarHBondContact CB-NE2 3.37Å; C212-H230 PolarHBondContact SG-NE2 3.31Å; C212-H230 VanDerWaalsContact SG-NE2 3.39Å
213G82.3Confident80.2Confident62 Ų62104.6 Ų104.664%0.63950%0.501SS*.SBendtrans90.5-10.3178.600000115.2C210 R211C210-G213 PolarHBondContact O-N 3.14Å; R211-G213 VanDerWaalsContact C-N 3.27Å; R211-G213 PolarHBondContact O-N 3.37Å
214K83.1Confident81.9Confident108 Ų10899.6 Ų99.647%0.4749%0.487SS..  trans-74.5132.7177.2-64.9179.2-175.9179.20111.2C210 Y216C210-K214 WeakPolarHBondContact CB-O 3.08Å; C210-K214 PolarHBondContact N-O 3.13Å; K214-Y216 HydrophobicContact CB-CE2 3.67Å; K214-Y216 WeakPolarHBondContact CB-OH 3.26Å
215S86.5Confident83.5Confident41 Ų4195.6 Ų95.629%0.28746%0.462SS..EExtended strand (participates in β ladder)trans-114.4136.9-179.3-55.70000111.7K206 F208K206-S215 VanDerWaalsContact CD-O 3.29Å; K206-S215 WeakPolarHBondContact CD-O 3.04Å; K206-S215 PolarHBondContact NZ-O 2.82Å; F208-S215 WeakPolarHBondContact O-CA 3.41Å
216Y86.4Confident85Confident55 Ų5587.2 Ų87.222%0.21644%0.437CS..EExtended strand (participates in β ladder)trans-121.1150.7-172.3-62.4-90.3000111.8K206 F208 C210 K214 T218 L222 H225K206-Y216 WeakPolarHBondContact CB-O 3.49Å; F208-Y216 PolarHBondContact O-N 3.05Å; C210-Y216 HydrophobicContact CB-CE2 4.32Å; K214-Y216 HydrophobicContact CB-CE2 3.67Å; K214-Y216 WeakPolarHBondContact CB-OH 3.26Å; Y216-T218 VanDerWaalsContact C-N 3.33Å; Y216-L222 HydrophobicContact CD2-CB 4.08Å; Y216-L222 HydrophobicContact CD2-CD1 3.81Å; Y216-L222 HydrophobicContact CE2-CD1 4.13Å; Y216-L222 HydrophobicContact CG-CB 4.34Å; Y216-H225 HydrophobicContact CE1-CB 3.93Å; Y216-H225 HydrophobicContact CE2-CB 3.88Å; Y216-H225 AromaticContact CE2-CD2 3.49Å; Y216-H225 VanDerWaalsContact CE2-CD2 3.49Å; Y216-H225 WeakPolarHBondContact CE2-CD2 3.28Å; Y216-H225 AromaticContact CE2-CG 3.7Å; Y216-H225 VanDerWaalsContact CZ-CB 3.45Å; Y216-H225 AromaticContact CZ-CD2 3.67Å; Y216-H225 AromaticContact CZ-CG 3.39Å; Y216-H225 AromaticContact CZ-ND1 3.98Å; Y216-H225 WeakPolarHBondContact OH-CB 3.44Å; Y216-H225 PolarHBondContact OH-CD2 3.07Å; Y216-H225 PolarHBondContact OH-ND1 3.46Å
217K80.6Confident85.9Confident167 Ų16787.5 Ų87.573%0.72644%0.442SS*.SBendtrans-72.9-23.6178.958.1174.2-177.2-174.90113.4
218T85.1Confident86.5Confident67 Ų6787.4 Ų87.441%0.41144%0.436SS..SBendtrans-137.4152.3-17654.40000111.3Y216 Q220 G221 L222Y216-T218 VanDerWaalsContact C-N 3.33Å; T218-Q220 VanDerWaalsContact C-N 3.29Å; T218-Q220 PolarHBondContact O-N 3.36Å; T218-G221 PolarHBondContact O-N 3.43Å; T218-G221 PolarHBondContact OG1-N 3.26Å; T218-L222 PolarHBondContact O-N 2.9Å; T218-L222 VanDerWaalsContact O-N 3.14Å
219S87.1Confident86.5Confident54 Ų5490.1 Ų90.138%0.37845%0.448SS..Hα-helixtrans-62.1-35.9176.259.70000112.2F208 L222 R223F208-S219 VanDerWaalsContact CD2-N 3.29Å; S219-L222 PolarHBondContact O-N 3.07Å; S219-R223 WeakPolarHBondContact O-CG 3.36Å; S219-R223 PolarHBondContact O-N 3.13Å
220Q88.8Confident86.6Confident137 Ų13786.4 Ų86.464%0.6443%0.433SS*.Hα-helixtrans-67.7-37.5176.4-165.6168.38.100112.4T218 L222 R223 H224T218-Q220 VanDerWaalsContact C-N 3.29Å; T218-Q220 PolarHBondContact O-N 3.36Å; Q220-L222 VanDerWaalsContact C-N 3.35Å; Q220-R223 PolarHBondContact O-N 3.42Å; Q220-H224 WeakPolarHBondContact O-CB 3.26Å; Q220-H224 PolarHBondContact O-N 3.13Å
221G88.2Confident85.9Confident24 Ų2489.7 Ų89.725%0.24745%0.454CS..Hα-helixtrans-64.5-39173.100000112.5T218 H225T218-G221 PolarHBondContact O-N 3.43Å; T218-G221 PolarHBondContact OG1-N 3.26Å; G221-H225 WeakPolarHBondContact O-CB 3.4Å; G221-H225 PolarHBondContact O-N 3.19Å; G221-H225 VanDerWaalsContact O-N 3.14Å
222L90.9Very high85.1Confident30 Ų3082.8 Ų82.816%0.15744%0.443CS..Hα-helixtrans-63.8-48171.617561.3000111.4F208 C210 Y216 T218 S219 Q220 H224 H225 T226F208-L222 HydrophobicContact CB-CB 3.89Å; F208-L222 HydrophobicContact CB-CD2 3.74Å; F208-L222 HydrophobicContact CB-CG 4.42Å; C210-L222 HydrophobicContact CB-CD1 3.44Å; C210-L222 VanDerWaalsContact CB-CD1 3.44Å; Y216-L222 HydrophobicContact CD2-CB 4.08Å; Y216-L222 HydrophobicContact CD2-CD1 3.81Å; Y216-L222 HydrophobicContact CE2-CD1 4.13Å; Y216-L222 HydrophobicContact CG-CB 4.34Å; T218-L222 PolarHBondContact O-N 2.9Å; T218-L222 VanDerWaalsContact O-N 3.14Å; S219-L222 PolarHBondContact O-N 3.07Å; Q220-L222 VanDerWaalsContact C-N 3.35Å; L222-H224 PolarHBondContact O-N 3.49Å; L222-H225 WeakPolarHBondContact O-CB 3.43Å; L222-H225 PolarHBondContact O-N 3.02Å; L222-T226 PolarHBondContact O-N 3.44Å; L222-T226 PolarHBondContact O-OG1 3.22Å; L222-T226 VanDerWaalsContact O-OG1 3.04Å
223R87.8Confident84Confident150 Ų15086.4 Ų86.457%0.56646%0.463SS*.Hα-helixtrans-57.7-47.3178.5-76.1-174.7-68.7172.60112.4S219 Q220 H225 T226 I227S219-R223 WeakPolarHBondContact O-CG 3.36Å; S219-R223 PolarHBondContact O-N 3.13Å; Q220-R223 PolarHBondContact O-N 3.42Å; R223-H225 VanDerWaalsContact C-N 3.28Å; R223-H225 PolarHBondContact O-N 3.18Å; R223-T226 PolarHBondContact O-N 3.36Å; R223-T226 VanDerWaalsContact O-N 3.15Å; R223-I227 VanDerWaalsContact O-CG1 3.3Å; R223-I227 WeakPolarHBondContact O-CG1 3.47Å; R223-I227 PolarHBondContact O-N 3.09Å
224H91.9Very high82.6Confident120 Ų12085.8 Ų85.856%0.55645%0.449SS*.Hα-helixtrans-61.7-39.5178.5-165.989.8000111.6Q220 L222 I227 N228Q220-H224 WeakPolarHBondContact O-CB 3.26Å; Q220-H224 PolarHBondContact O-N 3.13Å; L222-H224 PolarHBondContact O-N 3.49Å; H224-I227 PolarHBondContact O-N 3.4Å; H224-N228 PolarHBondContact CD2-ND2 3.25Å; H224-N228 PolarHBondContact NE2-ND2 3.2Å; H224-N228 PolarHBondContact O-N 2.94Å; H224-N228 VanDerWaalsContact O-N 3.15Å; H224-N228 PolarHBondContact O-ND2 3.41Å
225H91Very high81.1Confident6 Ų684.2 Ų84.23%0.02846%0.456CS..Hα-helixtrans-64-44.9172.7166.363.9000112.4C210 C212 Y216 G221 L222 R223 I227 N228 F229 H230C210-H225 PolarHBondContact SG-CD2 3.02Å; C210-H225 PolarHBondContact SG-NE2 3.07Å; C212-H225 PolarHBondContact SG-NE2 2.63Å; Y216-H225 HydrophobicContact CE1-CB 3.93Å; Y216-H225 HydrophobicContact CE2-CB 3.88Å; Y216-H225 AromaticContact CE2-CD2 3.49Å; Y216-H225 VanDerWaalsContact CE2-CD2 3.49Å; Y216-H225 WeakPolarHBondContact CE2-CD2 3.28Å; Y216-H225 AromaticContact CE2-CG 3.7Å; Y216-H225 VanDerWaalsContact CZ-CB 3.45Å; Y216-H225 AromaticContact CZ-CD2 3.67Å; Y216-H225 AromaticContact CZ-CG 3.39Å; Y216-H225 AromaticContact CZ-ND1 3.98Å; Y216-H225 WeakPolarHBondContact OH-CB 3.44Å; Y216-H225 PolarHBondContact OH-CD2 3.07Å; Y216-H225 PolarHBondContact OH-ND1 3.46Å; G221-H225 WeakPolarHBondContact O-CB 3.4Å; G221-H225 PolarHBondContact O-N 3.19Å; G221-H225 VanDerWaalsContact O-N 3.14Å; L222-H225 WeakPolarHBondContact O-CB 3.43Å; L222-H225 PolarHBondContact O-N 3.02Å; R223-H225 VanDerWaalsContact C-N 3.28Å; R223-H225 PolarHBondContact O-N 3.18Å; H225-I227 VanDerWaalsContact C-N 3.35Å; H225-I227 PolarHBondContact O-N 2.95Å; H225-N228 PolarHBondContact O-N 3.28Å; H225-F229 AromaticContact CE1-CG 3.99Å; H225-F229 AromaticContact ND1-CD2 3.31Å; H225-F229 VanDerWaalsContact ND1-CD2 3.31Å; H225-F229 WeakPolarHBondContact ND1-CD2 3.36Å; H225-F229 AromaticContact ND1-CG 3.7Å; H225-F229 WeakPolarHBondContact O-CB 3.45Å; H225-F229 WeakPolarHBondContact O-CD2 3.46Å; H225-F229 PolarHBondContact O-N 2.89Å; H225-H230 AromaticContact CE1-NE2 3.95Å; H225-H230 AromaticContact NE2-CD2 3.72Å; H225-H230 AromaticContact NE2-NE2 3.5Å
226T89.6Confident79.4Confident55 Ų5588.2 Ų88.234%0.33747%0.474SS..Hα-helixtrans-61.1-44177.3-55.30000111L222 R223 N228 H230L222-T226 PolarHBondContact O-N 3.44Å; L222-T226 PolarHBondContact O-OG1 3.22Å; L222-T226 VanDerWaalsContact O-OG1 3.04Å; R223-T226 PolarHBondContact O-N 3.36Å; R223-T226 VanDerWaalsContact O-N 3.15Å; T226-N228 PolarHBondContact O-N 2.99Å; T226-H230 HydrophobicContact CG2-CB 4.15Å; T226-H230 CarbonylContact O-C 3.34Å; T226-H230 WeakPolarHBondContact O-CA 3.28Å; T226-H230 VanDerWaalsContact O-CB 3.29Å; T226-H230 WeakPolarHBondContact O-CB 3.46Å; T226-H230 PolarHBondContact O-N 3.47Å
227I87.3Confident77.9Confident110 Ų11091.1 Ų91.156%0.56449%0.492SS*.Hα-helixtrans-64.5-43.5-178.7-67.2162.9000112.1R223 H224 H225R223-I227 VanDerWaalsContact O-CG1 3.3Å; R223-I227 WeakPolarHBondContact O-CG1 3.47Å; R223-I227 PolarHBondContact O-N 3.09Å; H224-I227 PolarHBondContact O-N 3.4Å; H225-I227 VanDerWaalsContact C-N 3.35Å; H225-I227 PolarHBondContact O-N 2.95Å
228N87.6Confident76.6Confident90 Ų9089.7 Ų89.748%0.48149%0.491SS..Hα-helixtrans-85-30.9-173.9-65.8-16.7000113.9H224 H225 T226H224-N228 PolarHBondContact CD2-ND2 3.25Å; H224-N228 PolarHBondContact NE2-ND2 3.2Å; H224-N228 PolarHBondContact O-N 2.94Å; H224-N228 VanDerWaalsContact O-N 3.15Å; H224-N228 PolarHBondContact O-ND2 3.41Å; H225-N228 PolarHBondContact O-N 3.28Å; T226-N228 PolarHBondContact O-N 2.99Å
229F84Confident75.3Confident132 Ų13296.3 Ų96.358%0.57951%0.509SS*.Hα-helixtrans-112.5-13.6-173.8-62-87.9000113.4H225 P231H225-F229 AromaticContact CE1-CG 3.99Å; H225-F229 AromaticContact ND1-CD2 3.31Å; H225-F229 VanDerWaalsContact ND1-CD2 3.31Å; H225-F229 WeakPolarHBondContact ND1-CD2 3.36Å; H225-F229 AromaticContact ND1-CG 3.7Å; H225-F229 WeakPolarHBondContact O-CB 3.45Å; H225-F229 WeakPolarHBondContact O-CD2 3.46Å; H225-F229 PolarHBondContact O-N 2.89Å; F229-P231 VanDerWaalsContact C-CD 3.45Å
230H84.9Confident73.7Confident76 Ų76102.5 Ų102.535%0.35253%0.529SS..SBendtrans-131.760.3171.3-58.4-60.1000109.4C210 C212 H225 T226 P232C210-H230 PolarHBondContact SG-CD2 2.9Å; C210-H230 PolarHBondContact SG-NE2 3.08Å; C210-H230 VanDerWaalsContact SG-NE2 3.44Å; C212-H230 WeakPolarHBondContact CB-NE2 3.37Å; C212-H230 PolarHBondContact SG-NE2 3.31Å; C212-H230 VanDerWaalsContact SG-NE2 3.39Å; H225-H230 AromaticContact CE1-NE2 3.95Å; H225-H230 AromaticContact NE2-CD2 3.72Å; H225-H230 AromaticContact NE2-NE2 3.5Å; T226-H230 HydrophobicContact CG2-CB 4.15Å; T226-H230 CarbonylContact O-C 3.34Å; T226-H230 WeakPolarHBondContact O-CA 3.28Å; T226-H230 VanDerWaalsContact O-CB 3.29Å; T226-H230 WeakPolarHBondContact O-CB 3.46Å; T226-H230 PolarHBondContact O-N 3.47Å; H230-P232 VanDerWaalsContact O-N 3.14Å
231P74.9Confident72.1Confident83 Ų83104.4 Ų104.454%0.53954%0.539SS..  trans-50.6128.7176.323.1-32.7000107.6F229 V233F229-P231 VanDerWaalsContact C-CD 3.45Å; P231-V233 PolarHBondContact O-N 3.43Å
232P65.2Low70.5Confident114 Ų114111.1 Ų111.174%0.7457%0.565SS**  trans-64.2100.6-172.124.9-32.1000108H230 S234H230-P232 VanDerWaalsContact O-N 3.14Å; P232-S234 PolarHBondContact O-N 3.45Å
233V61.9Low68.2Low133 Ų133116.8 Ų116.881%0.80663%0.63SS**  trans-73103.9165.5-169.20000105.1P231P231-V233 PolarHBondContact O-N 3.43Å
234S51Low67.2Low49 Ų49115.2 Ų115.234%0.34363%0.634SS.*  trans74.589.216567.10000119P232P232-S234 PolarHBondContact O-N 3.45Å
235A52Low65.9Low75 Ų75114.9 Ų114.962%0.6264%0.638SS**SBendtrans-76.5-5134.900000111.7
236D51.8Low64.5Low125 Ų125120.9 Ų120.967%0.66867%0.672SS**SBendtrans-84.6-7.6-176-61.3-51.4000114.8
237I54.6Low63Low116 Ų116124.8 Ų124.860%0.59569%0.691SS**SBendtrans-93.3-22.1178.3-66.9176.5000112.5R239I237-R239 VanDerWaalsContact C-N 3.35Å; I237-R239 PolarHBondContact O-N 3.45Å
238I53.9Low61.5Low137 Ų137125.8 Ų125.870%0.70370%0.699SS**G310 helixtrans-78.5-19-178.2-58.4177.3000112.1
239R56.8Low59.8Low207 Ų207128.1 Ų128.178%0.78171%0.714SS**G310 helixtrans-87.13.5177.3-97.4-171.1-73.7-177.7-1.4115.5I237I237-R239 VanDerWaalsContact C-N 3.35Å; I237-R239 PolarHBondContact O-N 3.45Å
240K54.4Low58Low184 Ų184127.9 Ų127.980%0.872%0.723SS**G310 helixtrans-119.114.6-177.4-153.5147.1-179.5174.40114.8
241M54.5Low56Low176 Ų176131.8 Ų131.887%0.86775%0.752SS**SBendtrans-120.5-1.2173.9-68.1-135.7126.300115.4
242Q54Low54.4Low166 Ų166135.9 Ų135.978%0.77677%0.77SS**  trans-106108.1146.5-9498.612.200104.2
243G42.7Very low53.4Low149 Ų149137.9 Ų137.9100%1.53677%0.772SS**  82.3055.800000106.3

Retrieved 243 of 243 residues in 541.1 ms (Link to these results)

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