A0A087XEK7_POEFO Loading...

JAZF zinc finger 1

AlphaFold DB , UniProt , Accession A0A087XEK7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 241 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
1M44.6Very low47.3Very low238 Ų238129 Ų129100%1.17277%0.767SS**  0107.10-77.2154.457.100108.4
2T37Very low50.3Low139 Ų139120.7 Ų120.785%0.85372%0.716SS**  trans-146.994.8175.5370000106.8
3G36.7Very low53.1Low78 Ų78113.5 Ų113.580%0.80468%0.678SS**  trans-74.3124.8-179.700000110.4A5G3-A5 PolarHBondContact O-N 2.87Å; G3-A5 VanDerWaalsContact O-N 3.1Å
4I39.4Very low55.6Low169 Ų169105.7 Ų105.787%0.86763%0.632SS**  trans-72.4102.8167.9-60.6175.5000106.6A6I4-A6 PolarHBondContact O-N 3.3Å
5A38.6Very low57.5Low78 Ų78114.3 Ų114.365%0.64565%0.649SS**  trans-66.4113.7172.100000108.6G3 V7G3-A5 PolarHBondContact O-N 2.87Å; G3-A5 VanDerWaalsContact O-N 3.1Å; A5-V7 HydrophobicContact CB-CG2 4.31Å; A5-V7 PolarHBondContact O-N 3.35Å
6A43.9Very low59.2Low91 Ų91112.9 Ų112.975%0.75263%0.634SS**  trans-71.380.7170.100000108.9I4 S8I4-A6 PolarHBondContact O-N 3.3Å; A6-S8 VanDerWaalsContact C-N 3.28Å; A6-S8 PolarHBondContact O-N 2.84Å
7V39.4Very low60.4Low91 Ų91112.8 Ų112.855%0.55265%0.65SS**  trans-70.591172.1-170.20000107.3A5 F9A5-V7 HydrophobicContact CB-CG2 4.31Å; A5-V7 PolarHBondContact O-N 3.35Å; V7-F9 HydrophobicContact CB-CD2 4.49Å; V7-F9 HydrophobicContact CB-CE2 4.1Å; V7-F9 HydrophobicContact CB-CZ 4.35Å; V7-F9 HydrophobicContact CG1-CD1 4.44Å; V7-F9 HydrophobicContact CG1-CD2 4.36Å; V7-F9 HydrophobicContact CG1-CE1 4.24Å; V7-F9 HydrophobicContact CG1-CE2 4.15Å; V7-F9 HydrophobicContact CG1-CZ 4.08Å; V7-F9 WeakPolarHBondContact O-CD2 3.5Å; V7-F9 PolarHBondContact O-N 3.43Å
8S48.2Very low61.3Low90 Ų90111.6 Ų111.663%0.62967%0.666SS**  trans-64.791166.7-65.90000108.2A6 F10A6-S8 VanDerWaalsContact C-N 3.28Å; A6-S8 PolarHBondContact O-N 2.84Å; S8-F10 VanDerWaalsContact O-CD2 3.23Å; S8-F10 WeakPolarHBondContact O-CD2 3.14Å; S8-F10 PolarHBondContact O-N 2.93Å
9F52Low62.7Low178 Ų178107.4 Ų107.478%0.78164%0.642SS**  trans-60.2103.4169.3-65.9-87.4000107.9V7 S11V7-F9 HydrophobicContact CB-CD2 4.49Å; V7-F9 HydrophobicContact CB-CE2 4.1Å; V7-F9 HydrophobicContact CB-CZ 4.35Å; V7-F9 HydrophobicContact CG1-CD1 4.44Å; V7-F9 HydrophobicContact CG1-CD2 4.36Å; V7-F9 HydrophobicContact CG1-CE1 4.24Å; V7-F9 HydrophobicContact CG1-CE2 4.15Å; V7-F9 HydrophobicContact CG1-CZ 4.08Å; V7-F9 WeakPolarHBondContact O-CD2 3.5Å; V7-F9 PolarHBondContact O-N 3.43Å; F9-S11 PolarHBondContact O-N 3.15Å
10F63.1Low63.7Low187 Ų187105 Ų10582%0.8264%0.641SS**  trans-68.886.6171.8-73.8-91000108.2S8 N12S8-F10 VanDerWaalsContact O-CD2 3.23Å; S8-F10 WeakPolarHBondContact O-CD2 3.14Å; S8-F10 PolarHBondContact O-N 2.93Å; F10-N12 PolarHBondContact O-N 2.98Å
11S77.1Confident64.8Low80 Ų80104.4 Ų104.456%0.55963%0.634SS**  trans-68.6122.3171.147.10000108.9F9 A13F9-S11 PolarHBondContact O-N 3.15Å; S11-A13 PolarHBondContact O-N 3.24Å
12N84Confident66.9Low29 Ų2998.9 Ų98.916%0.15560%0.604CS.*  trans-77.654.8177-69-26.9000109.7F10 H22 F23 D24 L26F10-N12 PolarHBondContact O-N 2.98Å; N12-H22 WeakPolarHBondContact O-CA 3.44Å; N12-F23 HydrophobicContact CB-CB 4.39Å; N12-F23 WeakPolarHBondContact CB-O 3.31Å; N12-F23 PolarHBondContact O-N 3.41Å; N12-D24 PolarHBondContact ND2-O 2.86Å; N12-D24 VanDerWaalsContact ND2-O 3.15Å; N12-L26 PolarHBondContact ND2-N 3.03Å
13A85.9Confident69.3Low28 Ų2894.1 Ų94.123%0.23157%0.572CS.*BIsolated β-bridgetrans-112.2132.6-174.500000111.8S11 R15 L21S11-A13 PolarHBondContact O-N 3.24Å; A13-R15 PolarHBondContact O-N 3.4Å; A13-L21 CarbonylContact C-O 3.54Å; A13-L21 WeakPolarHBondContact CA-O 3.26Å
14C88.6Confident71.6Confident4 Ų497.8 Ų97.83%0.02757%0.573CS.*  trans-73.6120.8174.5-173.60000110.8C19 G20 L21 F23 L29 H32 H37C14-C19 HydrophobicContact CB-CB 4.46Å; C14-C19 VanDerWaalsContact SG-SG 3.69Å; C14-G20 VanDerWaalsContact O-CA 3.26Å; C14-G20 WeakPolarHBondContact O-CA 3.48Å; C14-G20 PolarHBondContact O-N 2.87Å; C14-L21 PolarHBondContact N-O 3.38Å; C14-F23 HydrophobicContact CB-CE2 4.16Å; C14-L29 HydrophobicContact CB-CD1 3.82Å; C14-H32 PolarHBondContact SG-NE2 3.3Å; C14-H37 PolarHBondContact SG-CD2 3.41Å; C14-H37 PolarHBondContact SG-NE2 2.96Å; C14-H37 VanDerWaalsContact SG-NE2 3.35Å
15R84.6Confident74Confident234 Ų23491.9 Ų91.988%0.88355%0.547SS*.  trans-99.68.7-175-58.8-17466.2-176.7-0.8114A13A13-R15 PolarHBondContact O-N 3.4Å
16F83.6Confident76.3Confident93 Ų9392.6 Ų92.641%0.40854%0.539SS..SBendtrans-67.3145.7172.4-80.8-94.9000111.1G18 C19 I33 H37F16-G18 PolarHBondContact O-N 3.33Å; F16-C19 HydrophobicContact CB-CB 4.28Å; F16-C19 PolarHBondContact O-N 3.18Å; F16-C19 VanDerWaalsContact O-N 3.08Å; F16-I33 HydrophobicContact CD2-CG1 4.32Å; F16-I33 HydrophobicContact CE2-CD1 4.42Å; F16-I33 HydrophobicContact CE2-CG1 4.11Å; F16-I33 HydrophobicContact CE2-CG2 3.81Å; F16-I33 HydrophobicContact CZ-CG2 4.37Å; F16-H37 HydrophobicContact CD1-CB 3.83Å; F16-H37 AromaticContact CD1-CG 3.86Å; F16-H37 HydrophobicContact CD2-CB 3.85Å; F16-H37 AromaticContact CD2-CD2 3.42Å; F16-H37 VanDerWaalsContact CD2-CD2 3.42Å; F16-H37 WeakPolarHBondContact CD2-CD2 3.44Å; F16-H37 AromaticContact CD2-CG 3.72Å; F16-H37 HydrophobicContact CE1-CB 3.75Å; F16-H37 HydrophobicContact CE2-CB 3.77Å; F16-H37 HydrophobicContact CG-CB 3.88Å; F16-H37 AromaticContact CG-CD2 3.52Å; F16-H37 AromaticContact CG-CG 3.55Å; F16-H37 HydrophobicContact CZ-CB 3.72Å
17A79.4Confident78.4Confident110 Ų11092.8 Ų92.891%0.90953%0.531SS*.THydrogen-bonded Turntrans-61.1120.3-17400000111.2C19A17-C19 VanDerWaalsContact C-N 3.33Å; A17-C19 PolarHBondContact O-N 2.78Å
18G77.5Confident80.7Confident92 Ų9293 Ų9395%0.94853%0.526SS*.THydrogen-bonded Turntrans82.5-2.8-17900000115.9F16F16-G18 PolarHBondContact O-N 3.33Å
19C86.8Confident82.8Confident31 Ų3189.5 Ų89.521%0.20950%0.5CS..THydrogen-bonded Turntrans-87.4-71.8177.8-175.20000112.3C14 F16 A17 L21 H32 H37C14-C19 HydrophobicContact CB-CB 4.46Å; C14-C19 VanDerWaalsContact SG-SG 3.69Å; F16-C19 HydrophobicContact CB-CB 4.28Å; F16-C19 PolarHBondContact O-N 3.18Å; F16-C19 VanDerWaalsContact O-N 3.08Å; A17-C19 VanDerWaalsContact C-N 3.33Å; A17-C19 PolarHBondContact O-N 2.78Å; C19-L21 PolarHBondContact O-N 2.84Å; C19-H32 VanDerWaalsContact SG-CE1 3.56Å; C19-H32 PolarHBondContact SG-NE2 3.2Å; C19-H37 WeakPolarHBondContact CB-NE2 3.34Å; C19-H37 PolarHBondContact SG-NE2 2.86Å; C19-H37 VanDerWaalsContact SG-NE2 3.4Å
20G83Confident84.5Confident59 Ų5984.7 Ų84.761%0.60848%0.482SS*.  trans671.9173.300000116.7C14C14-G20 VanDerWaalsContact O-CA 3.26Å; C14-G20 WeakPolarHBondContact O-CA 3.48Å; C14-G20 PolarHBondContact O-N 2.87Å
21L86.3Confident85.7Confident94 Ų9479 Ų7949%0.49246%0.463SS..  trans-62.1140.1-177-65.1178000112A13 C14 C19 F23A13-L21 CarbonylContact C-O 3.54Å; A13-L21 WeakPolarHBondContact CA-O 3.26Å; C14-L21 PolarHBondContact N-O 3.38Å; C19-L21 PolarHBondContact O-N 2.84Å; L21-F23 HydrophobicContact CB-CE2 3.65Å; L21-F23 HydrophobicContact CB-CZ 3.68Å; L21-F23 HydrophobicContact CD1-CZ 4.14Å; L21-F23 WeakPolarHBondContact O-CE2 3.37Å
22H90.4Very high86.4Confident121 Ų12176.1 Ų76.156%0.5644%0.44SS*.BIsolated β-bridgetrans-105.8141.7173.4-164.6-74.5000110.2N12N12-H22 WeakPolarHBondContact O-CA 3.44Å
23F86.3Confident86.6Confident40 Ų4076.6 Ų76.618%0.17544%0.442CS..  trans-122.4154.3-176.9-59.6-89000110N12 C14 L21 E28 L29 H32N12-F23 HydrophobicContact CB-CB 4.39Å; N12-F23 WeakPolarHBondContact CB-O 3.31Å; N12-F23 PolarHBondContact O-N 3.41Å; C14-F23 HydrophobicContact CB-CE2 4.16Å; L21-F23 HydrophobicContact CB-CE2 3.65Å; L21-F23 HydrophobicContact CB-CZ 3.68Å; L21-F23 HydrophobicContact CD1-CZ 4.14Å; L21-F23 WeakPolarHBondContact O-CE2 3.37Å; F23-E28 HydrophobicContact CB-CB 4.03Å; F23-E28 HydrophobicContact CD1-CB 3.94Å; F23-E28 HydrophobicContact CG-CB 4.28Å; F23-L29 HydrophobicContact CB-CB 4.34Å; F23-L29 HydrophobicContact CD2-CB 3.95Å; F23-L29 HydrophobicContact CD2-CD1 3.81Å; F23-L29 HydrophobicContact CD2-CG 4.49Å; F23-L29 HydrophobicContact CE2-CD1 3.97Å; F23-L29 HydrophobicContact CG-CB 4.27Å; F23-H32 HydrophobicContact CE1-CB 3.81Å; F23-H32 AromaticContact CE1-CG 3.99Å; F23-H32 HydrophobicContact CE2-CB 4.2Å; F23-H32 AromaticContact CE2-CD2 3.45Å; F23-H32 VanDerWaalsContact CE2-CD2 3.45Å; F23-H32 WeakPolarHBondContact CE2-CD2 3.3Å; F23-H32 AromaticContact CE2-CG 3.89Å; F23-H32 HydrophobicContact CZ-CB 3.56Å; F23-H32 AromaticContact CZ-CD2 3.31Å; F23-H32 WeakPolarHBondContact CZ-CD2 3.37Å; F23-H32 AromaticContact CZ-CG 3.27Å; F23-H32 AromaticContact CZ-ND1 3.93Å; F23-H32 AromaticContact CZ-NE2 3.97Å
24D84.6Confident86.8Confident154 Ų15480.5 Ų80.582%0.82446%0.456SS*.SBendtrans-80.6-28.5179.2-68.9-40.1000110.9N12 E28N12-D24 PolarHBondContact ND2-O 2.86Å; N12-D24 VanDerWaalsContact ND2-O 3.15Å; D24-E28 PolarHBondContact N-OE2 3.17Å
25S90.1Very high86.5Confident45 Ų4586.4 Ų86.432%0.31549%0.487SS..SBendtrans-117.5145.4175.7-175.30000114T27 E28 L29S25-T27 PolarHBondContact O-N 3.36Å; S25-T27 PolarHBondContact OG-N 3.21Å; S25-T27 PolarHBondContact OG-OG1 3.48Å; S25-E28 WeakPolarHBondContact CB-OE2 3.45Å; S25-E28 PolarHBondContact N-OE2 2.89Å; S25-E28 PolarHBondContact O-N 3.48Å; S25-E28 VanDerWaalsContact O-N 3.14Å; S25-L29 PolarHBondContact O-N 3.21Å
26L88.2Confident86.3Confident93 Ų9380.2 Ų80.249%0.48747%0.471SS..Hα-helixtrans-59-32.4168.7177.559.8000111.6N12 E28 L29 I30N12-L26 PolarHBondContact ND2-N 3.03Å; L26-E28 VanDerWaalsContact C-N 3.32Å; L26-E28 PolarHBondContact O-N 3.3Å; L26-L29 HydrophobicContact CD1-CD2 4.18Å; L26-L29 PolarHBondContact O-N 3.5Å; L26-I30 HydrophobicContact CD1-CD1 4.25Å; L26-I30 HydrophobicContact CD1-CG1 4.35Å; L26-I30 HydrophobicContact CG-CD1 3.96Å; L26-I30 VanDerWaalsContact O-CG1 3.27Å; L26-I30 WeakPolarHBondContact O-CG1 3.15Å; L26-I30 PolarHBondContact O-N 3.08Å
27T88Confident86.3Confident95 Ų9578.4 Ų78.458%0.58346%0.464SS*.Hα-helixtrans-64-38.1176.8-49.20000111.7S25 I30 V31S25-T27 PolarHBondContact O-N 3.36Å; S25-T27 PolarHBondContact OG-N 3.21Å; S25-T27 PolarHBondContact OG-OG1 3.48Å; T27-I30 PolarHBondContact O-N 3.35Å; T27-V31 WeakPolarHBondContact O-CG2 3.42Å; T27-V31 PolarHBondContact O-N 3.39Å
28E87.9Confident86.3Confident96 Ų9677.2 Ų77.245%0.44944%0.442SS..Hα-helixtrans-72.3-39.3179.1-65.5164.4158.700110.9F23 D24 S25 L26 I30 V31 H32F23-E28 HydrophobicContact CB-CB 4.03Å; F23-E28 HydrophobicContact CD1-CB 3.94Å; F23-E28 HydrophobicContact CG-CB 4.28Å; D24-E28 PolarHBondContact N-OE2 3.17Å; S25-E28 WeakPolarHBondContact CB-OE2 3.45Å; S25-E28 PolarHBondContact N-OE2 2.89Å; S25-E28 PolarHBondContact O-N 3.48Å; S25-E28 VanDerWaalsContact O-N 3.14Å; L26-E28 VanDerWaalsContact C-N 3.32Å; L26-E28 PolarHBondContact O-N 3.3Å; E28-I30 VanDerWaalsContact C-N 3.34Å; E28-I30 PolarHBondContact O-N 3.48Å; E28-V31 PolarHBondContact O-N 3.14Å; E28-H32 VanDerWaalsContact O-CB 3.23Å; E28-H32 WeakPolarHBondContact O-CB 3.23Å; E28-H32 PolarHBondContact O-N 3.47Å
29L90.9Very high85.6Confident16 Ų1680.7 Ų80.78%0.08443%0.433CS..Hα-helixtrans-59.1-43.3170.7173.663000111.9C14 F23 S25 L26 I33C14-L29 HydrophobicContact CB-CD1 3.82Å; F23-L29 HydrophobicContact CB-CB 4.34Å; F23-L29 HydrophobicContact CD2-CB 3.95Å; F23-L29 HydrophobicContact CD2-CD1 3.81Å; F23-L29 HydrophobicContact CD2-CG 4.49Å; F23-L29 HydrophobicContact CE2-CD1 3.97Å; F23-L29 HydrophobicContact CG-CB 4.27Å; S25-L29 PolarHBondContact O-N 3.21Å; L26-L29 HydrophobicContact CD1-CD2 4.18Å; L26-L29 PolarHBondContact O-N 3.5Å; L29-I33 HydrophobicContact CD1-CD1 3.75Å; L29-I33 HydrophobicContact CD1-CG1 4.22Å; L29-I33 HydrophobicContact CG-CD1 3.97Å; L29-I33 VanDerWaalsContact O-CG1 3.3Å; L29-I33 WeakPolarHBondContact O-CG1 3.41Å; L29-I33 PolarHBondContact O-N 2.89Å
30I88.4Confident84.4Confident78 Ų7884 Ų8440%0.445%0.453SS..Hα-helixtrans-63.6-52.6178.1-70.9164.2000110.4L26 T27 E28 H32 I33 E34L26-I30 HydrophobicContact CD1-CD1 4.25Å; L26-I30 HydrophobicContact CD1-CG1 4.35Å; L26-I30 HydrophobicContact CG-CD1 3.96Å; L26-I30 VanDerWaalsContact O-CG1 3.27Å; L26-I30 WeakPolarHBondContact O-CG1 3.15Å; L26-I30 PolarHBondContact O-N 3.08Å; T27-I30 PolarHBondContact O-N 3.35Å; E28-I30 VanDerWaalsContact C-N 3.34Å; E28-I30 PolarHBondContact O-N 3.48Å; I30-H32 VanDerWaalsContact C-N 3.3Å; I30-H32 PolarHBondContact O-N 2.96Å; I30-I33 PolarHBondContact O-N 3.44Å; I30-I33 VanDerWaalsContact O-N 3.09Å; I30-E34 HydrophobicContact CG2-CG 4.37Å; I30-E34 WeakPolarHBondContact O-CG 3.23Å; I30-E34 PolarHBondContact O-N 3Å
31V88.9Confident83.2Confident67 Ų6785 Ų8541%0.40644%0.444SS..Hα-helixtrans-59-42.2178.5170.50000111.1T27 E28 I33 E34 D35T27-V31 WeakPolarHBondContact O-CG2 3.42Å; T27-V31 PolarHBondContact O-N 3.39Å; E28-V31 PolarHBondContact O-N 3.14Å; V31-I33 PolarHBondContact O-N 3.09Å; V31-E34 PolarHBondContact O-N 2.94Å; V31-D35 WeakPolarHBondContact CG1-OD2 3.27Å; V31-D35 WeakPolarHBondContact O-CB 3.4Å; V31-D35 PolarHBondContact O-N 3.39Å
32H91.4Very high81.8Confident19 Ų1985 Ų859%0.08845%0.449CS..Hα-helixtrans-59.6-44.1174.7162.961.9000112.5C14 C19 F23 E28 I30 N36 H37C14-H32 PolarHBondContact SG-NE2 3.3Å; C19-H32 VanDerWaalsContact SG-CE1 3.56Å; C19-H32 PolarHBondContact SG-NE2 3.2Å; F23-H32 HydrophobicContact CE1-CB 3.81Å; F23-H32 AromaticContact CE1-CG 3.99Å; F23-H32 HydrophobicContact CE2-CB 4.2Å; F23-H32 AromaticContact CE2-CD2 3.45Å; F23-H32 VanDerWaalsContact CE2-CD2 3.45Å; F23-H32 WeakPolarHBondContact CE2-CD2 3.3Å; F23-H32 AromaticContact CE2-CG 3.89Å; F23-H32 HydrophobicContact CZ-CB 3.56Å; F23-H32 AromaticContact CZ-CD2 3.31Å; F23-H32 WeakPolarHBondContact CZ-CD2 3.37Å; F23-H32 AromaticContact CZ-CG 3.27Å; F23-H32 AromaticContact CZ-ND1 3.93Å; F23-H32 AromaticContact CZ-NE2 3.97Å; E28-H32 VanDerWaalsContact O-CB 3.23Å; E28-H32 WeakPolarHBondContact O-CB 3.23Å; E28-H32 PolarHBondContact O-N 3.47Å; I30-H32 VanDerWaalsContact C-N 3.3Å; I30-H32 PolarHBondContact O-N 2.96Å; H32-N36 PolarHBondContact ND1-ND2 3.36Å; H32-N36 VanDerWaalsContact O-CB 3.23Å; H32-N36 WeakPolarHBondContact O-CB 3.43Å; H32-N36 PolarHBondContact O-N 3.4Å; H32-N36 PolarHBondContact O-ND2 2.85Å; H32-H37 AromaticContact CE1-NE2 3.69Å; H32-H37 AromaticContact NE2-CD2 3.71Å; H32-H37 AromaticContact NE2-NE2 3.39Å; H32-H37 PolarHBondContact NE2-NE2 2.86Å
33I88.4Confident80.3Confident40 Ų4082 Ų8221%0.20544%0.442CS..Hα-helixtrans-64.6-44.1176.8-72.8167.1000110.9F16 L29 I30 V31 H37 I38F16-I33 HydrophobicContact CD2-CG1 4.32Å; F16-I33 HydrophobicContact CE2-CD1 4.42Å; F16-I33 HydrophobicContact CE2-CG1 4.11Å; F16-I33 HydrophobicContact CE2-CG2 3.81Å; F16-I33 HydrophobicContact CZ-CG2 4.37Å; L29-I33 HydrophobicContact CD1-CD1 3.75Å; L29-I33 HydrophobicContact CD1-CG1 4.22Å; L29-I33 HydrophobicContact CG-CD1 3.97Å; L29-I33 VanDerWaalsContact O-CG1 3.3Å; L29-I33 WeakPolarHBondContact O-CG1 3.41Å; L29-I33 PolarHBondContact O-N 2.89Å; I30-I33 PolarHBondContact O-N 3.44Å; I30-I33 VanDerWaalsContact O-N 3.09Å; V31-I33 PolarHBondContact O-N 3.09Å; I33-H37 HydrophobicContact CG2-CB 4.49Å; I33-H37 CarbonylContact O-C 3.51Å; I33-H37 WeakPolarHBondContact O-CA 3.37Å; I33-H37 WeakPolarHBondContact O-CB 3.23Å; I33-H37 PolarHBondContact O-N 3.01Å; I33-I38 HydrophobicContact CG2-CD1 3.77Å; I33-I38 HydrophobicContact CG2-CG1 3.91Å; I33-I38 PolarHBondContact O-N 2.92Å
34E88.6Confident79.1Confident110 Ų11085.2 Ų85.251%0.51446%0.456SS..Hα-helixtrans-61.9-45177.7-70.8177.916300111.8I30 V31I30-E34 HydrophobicContact CG2-CG 4.37Å; I30-E34 WeakPolarHBondContact O-CG 3.23Å; I30-E34 PolarHBondContact O-N 3Å; V31-E34 PolarHBondContact O-N 2.94Å
35D82.7Confident77.8Confident127 Ų12782.4 Ų82.468%0.67944%0.44SS*.Hα-helixtrans-81.3-24.3-176.6-74.1-24.1000114.6V31V31-D35 WeakPolarHBondContact CG1-OD2 3.27Å; V31-D35 WeakPolarHBondContact O-CB 3.4Å; V31-D35 PolarHBondContact O-N 3.39Å
36N80.6Confident76.7Confident104 Ų10487 Ų8756%0.55646%0.457SS*.Hα-helixtrans-121.8-13.6-170.1-57.4-102.2000114.8H32H32-N36 PolarHBondContact ND1-ND2 3.36Å; H32-N36 VanDerWaalsContact O-CB 3.23Å; H32-N36 WeakPolarHBondContact O-CB 3.43Å; H32-N36 PolarHBondContact O-N 3.4Å; H32-N36 PolarHBondContact O-ND2 2.85Å
37H82.9Confident75.4Confident56 Ų5688.7 Ų88.726%0.25946%0.46SS..THydrogen-bonded Turntrans-134.6-16.6-172.8-65.4-37.8000114.9C14 F16 C19 H32 I33C14-H37 PolarHBondContact SG-CD2 3.41Å; C14-H37 PolarHBondContact SG-NE2 2.96Å; C14-H37 VanDerWaalsContact SG-NE2 3.35Å; F16-H37 HydrophobicContact CD1-CB 3.83Å; F16-H37 AromaticContact CD1-CG 3.86Å; F16-H37 HydrophobicContact CD2-CB 3.85Å; F16-H37 AromaticContact CD2-CD2 3.42Å; F16-H37 VanDerWaalsContact CD2-CD2 3.42Å; F16-H37 WeakPolarHBondContact CD2-CD2 3.44Å; F16-H37 AromaticContact CD2-CG 3.72Å; F16-H37 HydrophobicContact CE1-CB 3.75Å; F16-H37 HydrophobicContact CE2-CB 3.77Å; F16-H37 HydrophobicContact CG-CB 3.88Å; F16-H37 AromaticContact CG-CD2 3.52Å; F16-H37 AromaticContact CG-CG 3.55Å; F16-H37 HydrophobicContact CZ-CB 3.72Å; C19-H37 WeakPolarHBondContact CB-NE2 3.34Å; C19-H37 PolarHBondContact SG-NE2 2.86Å; C19-H37 VanDerWaalsContact SG-NE2 3.4Å; H32-H37 AromaticContact CE1-NE2 3.69Å; H32-H37 AromaticContact NE2-CD2 3.71Å; H32-H37 AromaticContact NE2-NE2 3.39Å; H32-H37 PolarHBondContact NE2-NE2 2.86Å; I33-H37 HydrophobicContact CG2-CB 4.49Å; I33-H37 CarbonylContact O-C 3.51Å; I33-H37 WeakPolarHBondContact O-CA 3.37Å; I33-H37 WeakPolarHBondContact O-CB 3.23Å; I33-H37 PolarHBondContact O-N 3.01Å
38I80Confident74.2Confident84 Ų8489.8 Ų89.843%0.43146%0.458SS..  trans-109.785.2172.5-52.8178.3000108.2I33 T40I33-I38 HydrophobicContact CG2-CD1 3.77Å; I33-I38 HydrophobicContact CG2-CG1 3.91Å; I33-I38 PolarHBondContact O-N 2.92Å; I38-T40 PolarHBondContact O-N 2.89Å; I38-T40 PolarHBondContact O-OG1 2.95Å; I38-T40 VanDerWaalsContact O-OG1 3.05Å
39E63Low73.1Confident166 Ų16693.4 Ų93.478%0.77648%0.476SS*.  trans-61.285.4173.6-72.9-168.1148.700110.9D41E39-D41 PolarHBondContact O-N 3.14Å
40T62.3Low71.7Confident101 Ų101100.2 Ų100.262%0.6251%0.507SS*.  trans-8645.4178.4-45.80000109.7I38 P42I38-T40 PolarHBondContact O-N 2.89Å; I38-T40 PolarHBondContact O-OG1 2.95Å; I38-T40 VanDerWaalsContact O-OG1 3.05Å; T40-P42 VanDerWaalsContact O-CD 3.29Å; T40-P42 WeakPolarHBondContact O-CD 3.17Å
41D56.7Low70.4Confident80 Ų80103.8 Ų103.843%0.42852%0.522SS..  trans-74.6116.2171178.88.9000108.8E39 C43 F44 L45E39-D41 PolarHBondContact O-N 3.14Å; D41-C43 PolarHBondContact O-N 3.18Å; D41-C43 VanDerWaalsContact O-N 3.16Å; D41-C43 VanDerWaalsContact OD1-CB 3.3Å; D41-C43 WeakPolarHBondContact OD1-CB 3.39Å; D41-C43 PolarHBondContact OD1-N 2.85Å; D41-F44 HydrophobicContact CB-CB 4.23Å; D41-F44 PolarHBondContact O-N 3.1Å; D41-L45 PolarHBondContact O-N 3.49Å
42P57.7Low68.4Low92 Ų92109 Ų10960%0.59754%0.542SS*.Hα-helixtrans-56-31.3175.1-23.635.4000112.4T40 F44 L45 E46T40-P42 VanDerWaalsContact O-CD 3.29Å; T40-P42 WeakPolarHBondContact O-CD 3.17Å; P42-F44 VanDerWaalsContact C-N 3.33Å; P42-F44 PolarHBondContact O-N 2.9Å; P42-L45 PolarHBondContact O-N 3.28Å; P42-E46 VanDerWaalsContact O-CB 3.28Å; P42-E46 WeakPolarHBondContact O-CB 3.39Å; P42-E46 PolarHBondContact O-N 3.31Å
43C58.2Low66.8Low59 Ų59113.8 Ų113.840%0.39958%0.575SS.*Hα-helixtrans-70.5-26.7179.4-167.50000113.1D41 K47D41-C43 PolarHBondContact O-N 3.18Å; D41-C43 VanDerWaalsContact O-N 3.16Å; D41-C43 VanDerWaalsContact OD1-CB 3.3Å; D41-C43 WeakPolarHBondContact OD1-CB 3.39Å; D41-C43 PolarHBondContact OD1-N 2.85Å; C43-K47 WeakPolarHBondContact O-CB 3.45Å; C43-K47 WeakPolarHBondContact O-CD 3.34Å; C43-K47 VanDerWaalsContact O-CG 3.24Å; C43-K47 WeakPolarHBondContact O-CG 3.42Å; C43-K47 PolarHBondContact O-N 3.21Å; C43-K47 PolarHBondContact SG-NZ 3.39Å
44F60.8Low65.9Low107 Ų107118.5 Ų118.547%0.46961%0.605SS.*Hα-helixtrans-75.8-45173-174.7-95.3000111.1D41 P42 E46 K47 Q48D41-F44 HydrophobicContact CB-CB 4.23Å; D41-F44 PolarHBondContact O-N 3.1Å; P42-F44 VanDerWaalsContact C-N 3.33Å; P42-F44 PolarHBondContact O-N 2.9Å; F44-E46 PolarHBondContact O-N 3.17Å; F44-K47 PolarHBondContact O-N 3.46Å; F44-Q48 PolarHBondContact O-N 2.79Å
45L59.1Low64.8Low95 Ų95122.9 Ų122.950%0.49762%0.619SS.*Hα-helixtrans-60.6-45176.2-67.4173.8000111.8D41 P42 K47 Q48 E49D41-L45 PolarHBondContact O-N 3.49Å; P42-L45 PolarHBondContact O-N 3.28Å; L45-K47 VanDerWaalsContact C-N 3.31Å; L45-K47 PolarHBondContact O-N 2.8Å; L45-Q48 PolarHBondContact O-N 2.95Å; L45-Q48 VanDerWaalsContact O-N 3.12Å; L45-E49 WeakPolarHBondContact O-CB 3.44Å; L45-E49 PolarHBondContact O-N 2.98Å
46E65.2Low64.4Low142 Ų142122.4 Ų122.466%0.66462%0.615SS**Hα-helixtrans-62.9-36.6177.9-162.4171126.900111.6P42 F44 Q50P42-E46 VanDerWaalsContact O-CB 3.28Å; P42-E46 WeakPolarHBondContact O-CB 3.39Å; P42-E46 PolarHBondContact O-N 3.31Å; F44-E46 PolarHBondContact O-N 3.17Å; E46-Q50 WeakPolarHBondContact O-CB 3.29Å; E46-Q50 PolarHBondContact O-N 2.72Å
47K62.7Low64.1Low129 Ų129119.4 Ų119.456%0.56160%0.604SS**Hα-helixtrans-70.2-34172.4-76.8168.6-174.6152.80113.6C43 F44 L45 Q50 Q51C43-K47 WeakPolarHBondContact O-CB 3.45Å; C43-K47 WeakPolarHBondContact O-CD 3.34Å; C43-K47 VanDerWaalsContact O-CG 3.24Å; C43-K47 WeakPolarHBondContact O-CG 3.42Å; C43-K47 PolarHBondContact O-N 3.21Å; C43-K47 PolarHBondContact SG-NZ 3.39Å; F44-K47 PolarHBondContact O-N 3.46Å; L45-K47 VanDerWaalsContact C-N 3.31Å; L45-K47 PolarHBondContact O-N 2.8Å; K47-Q50 PolarHBondContact O-N 3.05Å; K47-Q51 PolarHBondContact O-N 3.24Å
48Q61.7Low63Low117 Ų117122.8 Ų122.855%0.54762%0.624SS.*Hα-helixtrans-73.9-36.8176.7-172176.7-3400111.2F44 L45 Q50 Q51F44-Q48 PolarHBondContact O-N 2.79Å; L45-Q48 PolarHBondContact O-N 2.95Å; L45-Q48 VanDerWaalsContact O-N 3.12Å; Q48-Q50 VanDerWaalsContact C-N 3.29Å; Q48-Q51 PolarHBondContact O-N 3.24Å
49E64.7Low62.3Low173 Ų173123 Ų12381%0.80863%0.633SS**Hα-helixtrans-66.7-31.1171.2-170.3168.517700111.7L45 Q51L45-E49 WeakPolarHBondContact O-CB 3.44Å; L45-E49 PolarHBondContact O-N 2.98Å; E49-Q51 VanDerWaalsContact C-N 3.27Å; E49-Q51 PolarHBondContact O-N 2.95Å
50Q61.5Low62.8Low159 Ų159124.1 Ų124.174%0.74363%0.631SS**Hα-helixtrans-69-20.9173.4-160.869.79300113.7E46 K47 Q48 Q52E46-Q50 WeakPolarHBondContact O-CB 3.29Å; E46-Q50 PolarHBondContact O-N 2.72Å; K47-Q50 PolarHBondContact O-N 3.05Å; Q48-Q50 VanDerWaalsContact C-N 3.29Å; Q50-Q52 PolarHBondContact O-N 3.11Å
51Q61.6Low63.1Low153 Ų153124.8 Ų124.872%0.71563%0.63SS**SBendtrans-82.9111.9171.9-69.4-167.9-2.100110K47 Q48 E49K47-Q51 PolarHBondContact O-N 3.24Å; Q48-Q51 PolarHBondContact O-N 3.24Å; E49-Q51 VanDerWaalsContact C-N 3.27Å; E49-Q51 PolarHBondContact O-N 2.95Å
52Q47.6Very low63.3Low177 Ų177125.7 Ų125.783%0.82764%0.635SS**  trans-55.9132.1-179-63.8-17213.200111.1Q50 T54Q50-Q52 PolarHBondContact O-N 3.11Å; Q52-T54 PolarHBondContact O-N 3.41Å
53P56.3Low63.7Low119 Ų119131.5 Ų131.577%0.77365%0.645SS**  trans-62.5133-179.825.5-34.1000110.1Y55P53-Y55 PolarHBondContact O-N 2.89Å
54T70.9Confident63.7Low138 Ų138137.4 Ų137.485%0.84766%0.664SS**  trans-56.8107.4178.546.80000110.4Q52 I56Q52-T54 PolarHBondContact O-N 3.41Å; T54-I56 PolarHBondContact O-N 3.31Å
55Y65.6Low64Low203 Ų203138.9 Ų138.980%0.79667%0.674SS**PPolyproline II helixtrans-65.3135.3-174.795.7-79.8000110.9P53 A57P53-Y55 PolarHBondContact O-N 2.89Å; Y55-A57 HydrophobicContact CE2-CB 4.42Å
56I73.4Confident64.6Low116 Ų116138.4 Ų138.460%0.59568%0.675SS**PPolyproline II helixtrans-103.4133.2165.7-66.1179.4000106.9T54 L58 Y60T54-I56 PolarHBondContact O-N 3.31Å; I56-L58 PolarHBondContact O-N 2.83Å; I56-Y60 HydrophobicContact CG2-CD1 4.2Å; I56-Y60 HydrophobicContact CG2-CG 4.3Å
57A75.1Confident64.6Low41 Ų41136 Ų13634%0.33967%0.667SS.*PPolyproline II helixtrans-59.2131.4-178.300000111.3Y55 S59 Y60Y55-A57 HydrophobicContact CE2-CB 4.42Å; A57-S59 PolarHBondContact O-N 3.18Å; A57-Y60 WeakPolarHBondContact O-CB 3.45Å; A57-Y60 PolarHBondContact O-N 3.41Å
58L59.3Low64.8Low127 Ų127132.4 Ų132.467%0.66566%0.661SS**Hα-helixtrans-58.8-19.4-178.4-60.3177000113.3I56 Y60 I61 N62I56-L58 PolarHBondContact O-N 2.83Å; L58-Y60 VanDerWaalsContact C-N 3.27Å; L58-Y60 PolarHBondContact O-N 2.89Å; L58-I61 HydrophobicContact CD2-CD1 4.24Å; L58-I61 PolarHBondContact O-N 3.2Å; L58-N62 WeakPolarHBondContact O-CB 3.33Å; L58-N62 PolarHBondContact O-N 3.45Å; L58-N62 PolarHBondContact O-ND2 3.12Å
59S65Low65.1Low90 Ų90128.7 Ų128.763%0.62965%0.65SS**Hα-helixtrans-63-28.1171.451.70000113.7A57A57-S59 PolarHBondContact O-N 3.18Å
60Y72.6Confident65.4Low189 Ų189128.5 Ų128.574%0.74164%0.642SS**Hα-helixtrans-72.2-38.6175.9-163.7-101.4000111.5I56 A57 L58I56-Y60 HydrophobicContact CG2-CD1 4.2Å; I56-Y60 HydrophobicContact CG2-CG 4.3Å; A57-Y60 WeakPolarHBondContact O-CB 3.45Å; A57-Y60 PolarHBondContact O-N 3.41Å; L58-Y60 VanDerWaalsContact C-N 3.27Å; L58-Y60 PolarHBondContact O-N 2.89Å
61I68.5Low65.9Low115 Ų115129.2 Ų129.259%0.5964%0.638SS**Hα-helixtrans-73.2-43.3179.8-55.8176.3000110.7L58 R63L58-I61 HydrophobicContact CD2-CD1 4.24Å; L58-I61 PolarHBondContact O-N 3.2Å; I61-R63 PolarHBondContact O-N 3.24Å; I61-R63 VanDerWaalsContact O-N 3.16Å
62N61.3Low66.3Low98 Ų98128.1 Ų128.152%0.52463%0.633SS.*G310 helixtrans-77.24.9-174.4-75-66.9000115.3L58 F64L58-N62 WeakPolarHBondContact O-CB 3.33Å; L58-N62 PolarHBondContact O-N 3.45Å; L58-N62 PolarHBondContact O-ND2 3.12Å; N62-F64 PolarHBondContact O-N 3.36Å
63R66.3Low67.2Low214 Ų214125.3 Ų125.381%0.80862%0.619SS**G310 helixtrans-75.6-0.6-177-145.4172.687.499-5.1114.7I61I61-R63 PolarHBondContact O-N 3.24Å; I61-R63 VanDerWaalsContact O-N 3.16Å
64F58.6Low67.8Low183 Ų183123.3 Ų123.380%0.80360%0.6SS**G310 helixtrans-115.330.8-176.6-99.4-80.8000115N62 T66N62-F64 PolarHBondContact O-N 3.36Å; F64-T66 PolarHBondContact O-N 3.27Å
65M66.8Low67.6Low138 Ų138119.4 Ų119.468%0.6858%0.581SS**  trans-69.4120.5163.8-71.7-66.6103.400110.6
66T72.3Confident67.5Low85 Ų85115.5 Ų115.552%0.52157%0.574SS.*  trans-75.4155-178.167.90000112.4F64 A68 A69 R70F64-T66 PolarHBondContact O-N 3.27Å; T66-A68 PolarHBondContact O-N 3.26Å; T66-A68 VanDerWaalsContact O-N 3.1Å; T66-A69 PolarHBondContact O-N 3.42Å; T66-A69 VanDerWaalsContact O-N 3.15Å; T66-R70 PolarHBondContact O-N 3.05Å; T66-R70 VanDerWaalsContact O-N 3.07Å
67D64Low66.9Low93 Ų93115.4 Ų115.450%0.49757%0.569SS.*THydrogen-bonded Turntrans-66.7-6.6175.3-91.9-44.6000114.4R70 R71D67-R70 IonicContact OD1-CZ 2.67Å; D67-R70 IonicContact OD1-NE 3.16Å; D67-R70 PolarHBondContact OD1-NE 2.87Å; D67-R70 IonicContact OD1-NH2 2.64Å; D67-R70 PolarHBondContact OD1-NH2 3.16Å; D67-R71 PolarHBondContact O-NE 3.16Å; D67-R71 PolarHBondContact O-NH2 3.12Å
68A67.6Low66.2Low52 Ų52120.8 Ų120.843%0.4359%0.585SS.*THydrogen-bonded Turntrans-74.9-61.616400000110.2T66 R70 R71 E72T66-A68 PolarHBondContact O-N 3.26Å; T66-A68 VanDerWaalsContact O-N 3.1Å; A68-R70 VanDerWaalsContact C-N 3.25Å; A68-R70 PolarHBondContact O-N 3.05Å; A68-R71 PolarHBondContact O-N 3.29Å; A68-E72 PolarHBondContact O-N 3.14Å
69A67.8Low66Low39 Ų39123.8 Ų123.832%0.32259%0.592SS.*Hα-helixtrans-55.1-39.4-178.200000112.8T66 R71 E72 H73T66-A69 PolarHBondContact O-N 3.42Å; T66-A69 VanDerWaalsContact O-N 3.15Å; A69-R71 VanDerWaalsContact C-N 3.27Å; A69-R71 PolarHBondContact O-N 3.01Å; A69-E72 PolarHBondContact O-N 3.32Å; A69-H73 PolarHBondContact O-N 3.46Å; A69-H73 VanDerWaalsContact O-N 3.17Å
70R70.6Confident65.4Low170 Ų170124.9 Ų124.964%0.64260%0.595SS**Hα-helixtrans-59-33.9176.2-171.816672.3121.1-9.2113.3T66 D67 A68T66-R70 PolarHBondContact O-N 3.05Å; T66-R70 VanDerWaalsContact O-N 3.07Å; D67-R70 IonicContact OD1-CZ 2.67Å; D67-R70 IonicContact OD1-NE 3.16Å; D67-R70 PolarHBondContact OD1-NE 2.87Å; D67-R70 IonicContact OD1-NH2 2.64Å; D67-R70 PolarHBondContact OD1-NH2 3.16Å; A68-R70 VanDerWaalsContact C-N 3.25Å; A68-R70 PolarHBondContact O-N 3.05Å
71R72.8Confident64Low174 Ų174123.4 Ų123.466%0.65760%0.595SS**Hα-helixtrans-82.2-33.3179.1-74.8-178.9-71.3163.80.4112.6D67 A68 A69 E74 A75D67-R71 PolarHBondContact O-NE 3.16Å; D67-R71 PolarHBondContact O-NH2 3.12Å; A68-R71 PolarHBondContact O-N 3.29Å; A69-R71 VanDerWaalsContact C-N 3.27Å; A69-R71 PolarHBondContact O-N 3.01Å; R71-E74 PolarHBondContact O-N 3.24Å; R71-A75 PolarHBondContact O-N 3.32Å
72E69.1Low62.6Low130 Ų130123.4 Ų123.461%0.60760%0.602SS**Hα-helixtrans-68.5-42178.4-65.9-172.715000112A68 A69 E74 A75 L76A68-E72 PolarHBondContact O-N 3.14Å; A69-E72 PolarHBondContact O-N 3.32Å; E72-E74 VanDerWaalsContact C-N 3.3Å; E72-E74 PolarHBondContact O-N 3.29Å; E72-A75 WeakPolarHBondContact O-CA 3.26Å; E72-A75 WeakPolarHBondContact O-CB 3.38Å; E72-A75 PolarHBondContact O-N 3.22Å; E72-L76 WeakPolarHBondContact O-CD1 3.39Å; E72-L76 PolarHBondContact O-N 3.24Å
73H68.4Low61.7Low117 Ų117128.4 Ų128.454%0.54262%0.619SS.*Hα-helixtrans-60.5-39.3175.6-171.1-136.8000112.3A69 A75 L76 K77A69-H73 PolarHBondContact O-N 3.46Å; A69-H73 VanDerWaalsContact O-N 3.17Å; H73-A75 VanDerWaalsContact C-N 3.31Å; H73-A75 PolarHBondContact O-N 2.93Å; H73-L76 PolarHBondContact O-N 2.77Å; H73-K77 WeakPolarHBondContact O-CG 3.49Å; H73-K77 PolarHBondContact O-N 2.99Å
74E68.1Low60.1Low78 Ų78126.3 Ų126.336%0.36462%0.623SS.*Hα-helixtrans-71.1-21.5173.1-76.2-61.1124.800113.9R71 E72 K77 K78R71-E74 PolarHBondContact O-N 3.24Å; E72-E74 VanDerWaalsContact C-N 3.3Å; E72-E74 PolarHBondContact O-N 3.29Å; E74-K77 WeakPolarHBondContact OE1-CD 2.93Å; E74-K77 WeakPolarHBondContact OE1-CE 3.31Å; E74-K77 IonicContact OE1-NZ 2.82Å; E74-K77 PolarHBondContact OE1-NZ 2.91Å; E74-K78 VanDerWaalsContact O-CD 3.23Å; E74-K78 WeakPolarHBondContact O-CD 3.29Å; E74-K78 WeakPolarHBondContact O-CE 3.48Å; E74-K78 WeakPolarHBondContact O-CG 3.3Å
75A66.6Low59.2Low55 Ų55122.9 Ų122.946%0.45562%0.622SS.*Hα-helixtrans-79.2-36.7171.700000112R71 E72 H73 K78R71-A75 PolarHBondContact O-N 3.32Å; E72-A75 WeakPolarHBondContact O-CA 3.26Å; E72-A75 WeakPolarHBondContact O-CB 3.38Å; E72-A75 PolarHBondContact O-N 3.22Å; H73-A75 VanDerWaalsContact C-N 3.31Å; H73-A75 PolarHBondContact O-N 2.93Å; A75-K78 PolarHBondContact O-N 3.39Å
76L62.7Low57.6Low121 Ų121124.8 Ų124.863%0.63463%0.634SS**Hα-helixtrans-64.5-46.5175.6-94.968000111.7E72 H73 K78 K79E72-L76 WeakPolarHBondContact O-CD1 3.39Å; E72-L76 PolarHBondContact O-N 3.24Å; H73-L76 PolarHBondContact O-N 2.77Å; L76-K78 PolarHBondContact O-N 2.91Å; L76-K78 VanDerWaalsContact O-N 3.14Å; L76-K79 PolarHBondContact O-N 3.48Å
77K61.4Low56.1Low114 Ų114127.3 Ų127.350%0.49665%0.65SS.*Hα-helixtrans-53.9-34.5175.9-71.6178.1-171.9171.60113.1H73 E74 K79H73-K77 WeakPolarHBondContact O-CG 3.49Å; H73-K77 PolarHBondContact O-N 2.99Å; E74-K77 WeakPolarHBondContact OE1-CD 2.93Å; E74-K77 WeakPolarHBondContact OE1-CE 3.31Å; E74-K77 IonicContact OE1-NZ 2.82Å; E74-K77 PolarHBondContact OE1-NZ 2.91Å; K77-K79 PolarHBondContact O-N 3.42Å
78K59.8Low54.6Low155 Ų155128 Ų12867%0.67467%0.668SS**THydrogen-bonded Turntrans-76.5-3.7-178.8-69.6167.9-169.8164.30114.2E74 A75 L76E74-K78 VanDerWaalsContact O-CD 3.23Å; E74-K78 WeakPolarHBondContact O-CD 3.29Å; E74-K78 WeakPolarHBondContact O-CE 3.48Å; E74-K78 WeakPolarHBondContact O-CG 3.3Å; A75-K78 PolarHBondContact O-N 3.39Å; L76-K78 PolarHBondContact O-N 2.91Å; L76-K78 VanDerWaalsContact O-N 3.14Å
79K56.2Low53.2Low189 Ų189129.8 Ų129.882%0.82268%0.683SS**THydrogen-bonded Turntrans-100.1-6.3176.1-96.6177.4174175.90114.9L76 K77 Q81L76-K79 PolarHBondContact O-N 3.48Å; K77-K79 PolarHBondContact O-N 3.42Å; K79-Q81 PolarHBondContact O-N 2.75Å
80V51.8Low51.6Low113 Ų113135.8 Ų135.869%0.68571%0.709SS**  trans-10076.9177.2-171.40000110.1
81Q42.7Very low49.9Very low159 Ų159133 Ų13374%0.74372%0.716SS**  trans-140.397.9173.8-80.1-65.3-18.100110.2K79 K83K79-Q81 PolarHBondContact O-N 2.75Å; Q81-K83 PolarHBondContact O-N 3.02Å
82P40.7Very low48.4Very low115 Ų115135.7 Ų135.775%0.74773%0.725SS**  trans-66.8126.5174.1-18.232.2000110.9L84P82-L84 PolarHBondContact O-N 2.97Å
83K41.8Very low46.7Very low203 Ų203136.6 Ų136.688%0.88374%0.74SS**  trans-91.193.9-174.7-148.4177-169.4179.80110.7Q81Q81-K83 PolarHBondContact O-N 3.02Å
84L33.4Very low45.2Very low170 Ų170137.8 Ų137.889%0.8975%0.751SS**  trans-125.4110.3168.4-86.4170.3000110.1P82P82-L84 PolarHBondContact O-N 2.97Å
85S38.1Very low43.6Very low110 Ų110140.3 Ų140.377%0.76977%0.771SS**  trans-100.7125172.9-58.60000109.7
86L34.4Very low42Very low178 Ų178143.1 Ų143.193%0.93279%0.787SS**  trans-147.8150.6151.6-142.174.2000110
87T39.3Very low40.5Very low139 Ų139143.6 Ų143.685%0.85380%0.795SS**  trans-107.8125.5-165.249.90000112.8
88A32.6Very low40.2Very low107 Ų107143.7 Ų143.788%0.88481%0.808SS**  trans-160.4145.4146.800000109.5
89A39.7Very low39.7Very low90 Ų90141.4 Ų141.474%0.74481%0.808SS**  trans-127.6147.5165.400000108.2
90L33.9Very low38.7Very low165 Ų165142.4 Ų142.486%0.86481%0.807SS**  176.6147.2122-94.7169.4000113
91S35.1Very low37.9Very low112 Ų112143.6 Ų143.678%0.78381%0.805SS**  trans67.6132.7149.4-610000121.8
92R39.8Very low37.5Very low229 Ų229141.4 Ų141.486%0.86480%0.803SS**  trans-99.1154.4179.3-49.3141.761.8-162.82.5110.3
93T35Very low37.5Very low149 Ų149141.3 Ų141.391%0.91480%0.804SS**  trans-168.3-179.3137.718.20000112.4
94N35.9Very low37.2Very low143 Ų143135.2 Ų135.277%0.76580%0.8SS**  trans-115.9152.3-157.8-716.4000115.5
95V34.5Very low37.2Very low131 Ų131133.5 Ų133.579%0.79479%0.791SS**  trans77.3147.4134.9160.20000122
96S32.2Very low37.1Very low113 Ų113136.4 Ų136.479%0.7980%0.797SS**  trans96145.3160.3-750000122.1
97T32Very low37.4Very low132 Ų132133.3 Ų133.381%0.8179%0.786SS**  trans-130.1179.6174.854.10000109.1
98P55.7Low38.5Very low116 Ų116132 Ų13275%0.75378%0.78SS**  cis-114.5-89.3-11.915.99.9000114.3
99P48.1Very low39.9Very low106 Ų106132.2 Ų132.269%0.68877%0.772SS**  -130.3139.8-59.937.1-20.2000119.1
100R35.9Very low39.7Very low211 Ų211134.2 Ų134.280%0.79678%0.775SS**  trans73.7149.4138-148.1179.4-177.7-139.412.4121.9
101H34.8Very low40.1Very low138 Ų138132.3 Ų132.364%0.63977%0.77SS**  trans78.6155.6164.5-60.6-69.8000120.1
102T35.5Very low41.4Very low113 Ų113132.5 Ų132.569%0.69377%0.769SS**  cis-172.2155.7-29.6-164.10000113.3
103S40.6Very low42.4Very low112 Ų112126.9 Ų126.978%0.78376%0.762SS**  trans71.2143149.1-53.80000124.7
104G34.2Very low42.3Very low76 Ų76127.8 Ų127.878%0.78476%0.759SS**  trans105.8111.4158.200000115.7
105N33.8Very low42.3Very low134 Ų134127.1 Ų127.172%0.71776%0.761SS**  cis84.8117.420.2-170.854.9000118.2
106L35.6Very low43.3Very low171 Ų171126.1 Ų126.190%0.89576%0.757SS**  trans-150143.2156.4-76.7-176.4000112
107T40.4Very low43.5Very low113 Ų113125.8 Ų125.869%0.69375%0.754SS**  trans-151.2-170177.660.80000108.1
108P64Low43.6Very low111 Ų111124.7 Ų124.772%0.72175%0.752SS**  cis-111.3-111.6-21.140.1-21.6000107.8
109P61.9Low43Very low111 Ų111123.3 Ų123.372%0.72175%0.746SS**  cis-96.9-148.6-39.716.39.2000110.7
110V34.5Very low42.5Very low132 Ų132127.5 Ų127.580%0.875%0.753SS**  cis-143.2-176.314.2-1740000109.6
111T42.6Very low42.7Very low125 Ų125128.6 Ų128.677%0.76776%0.757SS**  trans-112.2157.2-157.937.10000119.2
112P62.1Low43Very low116 Ų116127.1 Ų127.175%0.75376%0.763SS**  trans-93.5-158.2170.143.8-39.7000111.6
113P60.8Low43.8Very low112 Ų112127.5 Ų127.573%0.72777%0.77SS**  cis-137.4-160.7-0.845.4-25.9000115.1
114I33Very low44Very low167 Ų167128.6 Ų128.686%0.85677%0.772SS**  trans178.7154.8144.6-91.8154000112.5
115T36.6Very low45.1Very low130 Ų130131.1 Ų131.180%0.79878%0.775SS**  trans-123.2-175.6-179.924.70000111.4
116P55.1Low45.7Very low110 Ų110131.5 Ų131.571%0.71478%0.782SS**  cis-139.7-1724.344.1-25.1000117.6
117S36.3Very low46.3Very low105 Ų105126.5 Ų126.573%0.73477%0.772SS**  trans85.4113.3142.3-68.90000125.2
118S35Very low46.6Very low109 Ų109126.4 Ų126.476%0.76278%0.776SS**  102128.3125.678.80000123.7
119S41.4Very low45.7Very low88 Ų88129.5 Ų129.562%0.61578%0.781SS**  trans85.7112132-79.20000125
120F37.9Very low44.9Very low194 Ų194130.1 Ų130.185%0.85179%0.786SS**  trans83.1145.6141.9-55.6-54.4000122.7
121R41Very low45.3Very low233 Ų233131.2 Ų131.288%0.87979%0.788SS**  trans89.788.6158.4-56.9-159.3169.4-155.2-5.3120.4
122S41.5Very low45.7Very low107 Ų107132.3 Ų132.375%0.74879%0.789SS**  58.3104.9118.9-50.10000121.4
123S50.8Low45.1Very low121 Ų121135.3 Ų135.385%0.84679%0.793SS**  52.199.4123.9-47.90000120.8
124T44.9Very low44.6Very low136 Ų136137.8 Ų137.883%0.83480%0.8SS**  trans-144.3151.2139.7160000109.9
125P58.3Low45.6Very low129 Ų129136.6 Ų136.684%0.83880%0.8SS**  trans-90.3122.4-172.533.7-31.9000112.6
126T46Very low46.4Very low141 Ų141138.5 Ų138.587%0.86580%0.8SS**  trans-124.5149.4161.6-53.60000107.3S128T126-S128 PolarHBondContact O-N 3.23Å
127G49.1Very low46.2Very low66 Ų66142 Ų14268%0.6880%0.804SS**PPolyproline II helixtrans-60.2135.7-169.600000113E129G127-E129 PolarHBondContact O-N 3.37Å
128S46Very low46.9Very low112 Ų112144.3 Ų144.378%0.78380%0.804SS**PPolyproline II helixtrans-66.1122.8164.551.30000109.3T126T126-S128 PolarHBondContact O-N 3.23Å
129E44Very low47.6Very low176 Ų176142.2 Ų142.282%0.82279%0.792SS**PPolyproline II helixtrans-52.4149.9152.655.4-102.577.700111.2G127G127-E129 PolarHBondContact O-N 3.37Å
130C45.8Very low48Very low123 Ų123143.4 Ų143.483%0.83180%0.801SS**  trans-126.8140.6157.260.80000107.3
131D43.4Very low48.5Very low156 Ų156141.3 Ų141.383%0.83480%0.799SS**  trans-77.3168.4-159.2-149.7-174000113.9
132D50.6Low48.8Very low148 Ų148134.8 Ų134.879%0.79179%0.788SS**  trans-62.4130.3179-88.7-140.5000112.7
133E48.8Very low49.3Very low178 Ų178136.1 Ų136.183%0.83279%0.787SS**  trans-130.7127.4154.9-56.8-147.9141.500109.2V135E133-V135 PolarHBondContact O-N 3.39Å
134D51.8Low48.9Very low164 Ų164138.1 Ų138.188%0.87778%0.783SS**  trans-62.7118-170.2-60.9-101.1000113.8E136D134-E136 PolarHBondContact O-N 3.46Å
135V52.9Low49.3Very low143 Ų143136.8 Ų136.887%0.86778%0.779SS**  trans-9388.8170.5-73.50000111.4E133 F137E133-V135 PolarHBondContact O-N 3.39Å; V135-F137 PolarHBondContact O-N 2.99Å
136E54.1Low48.8Very low170 Ų170141.5 Ų141.579%0.79478%0.781SS**  trans-59.8128.5172.1-174.3150.7-139.700110.9D134 E138D134-E136 PolarHBondContact O-N 3.46Å; E136-E138 VanDerWaalsContact C-N 3.3Å; E136-E138 PolarHBondContact O-N 3.12Å
137F50.6Low48.8Very low184 Ų184141.2 Ų141.281%0.80778%0.779SS**  trans-81.475-173.7177.7-106.6000111V135 A139V135-F137 PolarHBondContact O-N 2.99Å; F137-A139 VanDerWaalsContact C-N 3.3Å; F137-A139 HydrophobicContact CD1-CB 4.35Å; F137-A139 HydrophobicContact CE1-CB 3.81Å; F137-A139 HydrophobicContact CZ-CB 4.2Å; F137-A139 PolarHBondContact O-N 2.85Å
138E50Low48.7Very low153 Ų153143.6 Ų143.672%0.71578%0.78SS**  trans-68.288.1169.5-80.5-61.8123.500110.7E136 S140E136-E138 VanDerWaalsContact C-N 3.3Å; E136-E138 PolarHBondContact O-N 3.12Å; E138-S140 PolarHBondContact O-N 3.33Å
139A50Low48.8Very low64 Ų64147.5 Ų147.553%0.52979%0.786SS.*  trans-66.396.1167.900000109.4F137 D141F137-A139 VanDerWaalsContact C-N 3.3Å; F137-A139 HydrophobicContact CD1-CB 4.35Å; F137-A139 HydrophobicContact CE1-CB 3.81Å; F137-A139 HydrophobicContact CZ-CB 4.2Å; F137-A139 PolarHBondContact O-N 2.85Å; A139-D141 VanDerWaalsContact C-N 3.34Å; A139-D141 PolarHBondContact O-N 2.89Å
140S49.5Very low49.3Very low113 Ų113144.2 Ų144.279%0.7978%0.783SS**  trans-61.394171.4-67.90000110.8E138 S142E138-S140 PolarHBondContact O-N 3.33Å; S140-S142 PolarHBondContact O-N 3.29Å; S140-S142 VanDerWaalsContact O-N 3.14Å
141D49.4Very low49.5Very low151 Ų151142.6 Ų142.681%0.80778%0.778SS**  trans-69.5101.7168.4-158.29.7000107.8A139A139-D141 VanDerWaalsContact C-N 3.34Å; A139-D141 PolarHBondContact O-N 2.89Å
142S46.8Very low49.7Very low95 Ų95142.7 Ų142.766%0.66478%0.777SS**  trans-10789.1-174.2-174.90000108.6S140 E144S140-S142 PolarHBondContact O-N 3.29Å; S140-S142 VanDerWaalsContact O-N 3.14Å; S142-E144 VanDerWaalsContact C-N 3.29Å; S142-E144 PolarHBondContact O-N 3.01Å
143D53.4Low49.5Very low136 Ų136138.8 Ų138.873%0.72776%0.761SS**  trans-80.751.3-163.863.6-54.7000115S145D143-S145 VanDerWaalsContact C-N 3.25Å; D143-S145 PolarHBondContact O-N 2.98Å
144E41Very low49.6Very low163 Ų163134.5 Ų134.576%0.76275%0.751SS**  trans-77.872.9174.1-66.3-152.8109.800112.5S142 W146S142-E144 VanDerWaalsContact C-N 3.29Å; S142-E144 PolarHBondContact O-N 3.01Å; E144-W146 PolarHBondContact O-N 2.98Å
145S52.8Low49.6Very low107 Ų107133.4 Ų133.475%0.74874%0.741SS**  trans-69.264.4174.8-74.40000114.2D143D143-S145 VanDerWaalsContact C-N 3.25Å; D143-S145 PolarHBondContact O-N 2.98Å
146W47.9Very low49.6Very low228 Ų228131.2 Ų131.286%0.86473%0.732SS**  trans-131.5100.4168.4-5286.4000108E144E144-W146 PolarHBondContact O-N 2.98Å
147T46.6Very low49.7Very low136 Ų136129.4 Ų129.483%0.83473%0.726SS**SBend-135.414350.854.90000114.1
148T47.1Very low50.1Low115 Ų115126.4 Ų126.471%0.70672%0.718SS**  trans-61.3133.7177.141.60000114.1S150T148-S150 PolarHBondContact O-N 3.29Å
149E49.2Very low50.2Low194 Ų194124.5 Ų124.591%0.90772%0.722SS**THydrogen-bonded Turntrans-75.124.4-168.566-146.294.500116.7
150S53Low50.3Low107 Ų107125.7 Ų125.775%0.74873%0.726SS**THydrogen-bonded Turntrans-130.92.6-161.9-56.60000116.2T148T148-S150 PolarHBondContact O-N 3.29Å
151A50Low50.5Low90 Ų90128 Ų12874%0.74473%0.726SS**SBendtrans-105.67.9-165.500000116.9
152I48Very low50.8Low157 Ų157126.1 Ų126.181%0.80572%0.724SS**SBendtrans-128.587.6172.3-46.8178.5000109.2S154I152-S154 PolarHBondContact O-N 3.37Å
153S46.3Very low51.4Low66 Ų66129.6 Ų129.646%0.46273%0.732SS.*  trans-58.6133.4-179.3177.30000111.8E155 S156S153-E155 PolarHBondContact O-N 3.47Å; S153-E155 VanDerWaalsContact O-N 3.09Å; S153-E155 PolarHBondContact OG-N 3.13Å; S153-S156 PolarHBondContact O-N 3.38Å
154S50.2Low51.4Low89 Ų89131.1 Ų131.162%0.62274%0.74SS**G310 helixtrans-59.5-17.4175.943.70000113.5I152 I157I152-S154 PolarHBondContact O-N 3.37Å; S154-I157 WeakPolarHBondContact O-CB 3.4Å; S154-I157 PolarHBondContact O-N 3.45Å
155E52.7Low51.7Low140 Ų140126.5 Ų126.565%0.65474%0.736SS**G310 helixtrans-74-26.4-179.9-59.2-176.5151.200112.8S153 I157 L158S153-E155 PolarHBondContact O-N 3.47Å; S153-E155 VanDerWaalsContact O-N 3.09Å; S153-E155 PolarHBondContact OG-N 3.13Å; E155-I157 PolarHBondContact O-N 2.98Å; E155-I157 VanDerWaalsContact O-N 3.12Å; E155-L158 PolarHBondContact O-N 2.63Å; E155-L158 VanDerWaalsContact O-N 3.16Å
156S52.6Low51.6Low97 Ų97125.8 Ų125.868%0.67875%0.746SS**G310 helixtrans-65-15.3174.2-171.40000113.2S153S153-S156 PolarHBondContact O-N 3.38Å
157I57.1Low52Low133 Ų133118.6 Ų118.668%0.68272%0.724SS**G310 helixtrans-85.7-19.8-179.6-57.8178.3000111.4S154 E155S154-I157 WeakPolarHBondContact O-CB 3.4Å; S154-I157 PolarHBondContact O-N 3.45Å; E155-I157 PolarHBondContact O-N 2.98Å; E155-I157 VanDerWaalsContact O-N 3.12Å
158L57.7Low53Low120 Ų120118.9 Ų118.963%0.62872%0.716SS**THydrogen-bonded Turntrans-90.4-27-172.8-76.9156.1000114.1E155 S160E155-L158 PolarHBondContact O-N 2.63Å; E155-L158 VanDerWaalsContact O-N 3.16Å; L158-S160 PolarHBondContact O-N 3.3Å
159S52.8Low54.1Low114 Ų114117.7 Ų117.780%0.79770%0.701SS**SBendtrans-82.5-7.5-173.6-62.50000115.4M161S159-M161 PolarHBondContact O-N 2.32Å
160S52.5Low55.6Low89 Ų89112.8 Ų112.862%0.62269%0.686SS**  trans-94.847.3-176.865.90000113.8L158 C162L158-S160 PolarHBondContact O-N 3.3Å; S160-C162 VanDerWaalsContact C-N 3.27Å; S160-C162 PolarHBondContact O-N 2.68Å; S160-C162 VanDerWaalsContact O-N 3.11Å
161M53.5Low57.1Low160 Ų160111.2 Ų111.279%0.78867%0.666SS**  trans-83.563172.9-67.8-157.9-17400112.3S159S159-M161 PolarHBondContact O-N 2.32Å
162C56.5Low59Low113 Ų113109.6 Ų109.676%0.76465%0.652SS**  trans-90.6113.6171.555.90000111.1S160 N164S160-C162 VanDerWaalsContact C-N 3.27Å; S160-C162 PolarHBondContact O-N 2.68Å; S160-C162 VanDerWaalsContact O-N 3.11Å; C162-N164 PolarHBondContact O-N 2.79Å
163M59.2Low61Low168 Ų168102.7 Ų102.783%0.82862%0.618SS**  trans-67.9111.6179.5-68.7-68.7170.100111.8
164N52.3Low62.9Low168 Ų168105 Ų10590%0.89863%0.631SS**  trans-173.2139.5151.9-107.4-59.5000112.8C162C162-N164 PolarHBondContact O-N 2.79Å
165G47.4Very low64.3Low65 Ų65102.2 Ų102.267%0.6761%0.61SS**  trans69.888164.800000116.7D167G165-D167 PolarHBondContact O-N 2.81Å
166G50.9Low65.5Low93 Ų93101.6 Ų101.696%0.95962%0.619SS**  trans-65113.6178.700000113.9
167D57.3Low66.7Low77 Ų77100.7 Ų100.741%0.41263%0.625SS.*  trans-162.6107.1177-156.95.8000107.5G165 K169 R181G165-D167 PolarHBondContact O-N 2.81Å; D167-K169 PolarHBondContact O-N 3.49Å; D167-K169 IonicContact OD1-NZ 2.7Å; D167-R181 VanDerWaalsContact CB-NH1 3.32Å; D167-R181 IonicContact OD2-CZ 3.59Å; D167-R181 IonicContact OD2-NE 3.83Å; D167-R181 IonicContact OD2-NH1 2.84Å; D167-R181 PolarHBondContact OD2-NH1 3.42Å
168E67.3Low68Low141 Ų14195.5 Ų95.566%0.65960%0.6SS**SBendtrans-7238.5-170-58.4-171.6158.500114.8K183E168-K183 WeakPolarHBondContact O-CG 3.16Å; E168-K183 IonicContact OE2-NZ 3.92Å; E168-K183 PolarHBondContact OE2-NZ 3.34Å
169K70.6Confident69.3Low90 Ų9099.6 Ų99.639%0.39161%0.613SS.*  trans-134.273.1-169.5-65.6168.1-167.1147.50109.1D167 F171 R181 Y182 K183D167-K169 PolarHBondContact O-N 3.49Å; D167-K169 IonicContact OD1-NZ 2.7Å; K169-F171 PolarHBondContact O-N 2.96Å; K169-R181 HydrophobicContact CB-CB 3.72Å; K169-R181 PolarHBondContact O-NE 3.05Å; K169-R181 PolarHBondContact O-NH2 2.85Å; K169-Y182 CarbonylContact C-O 3.35Å; K169-Y182 VanDerWaalsContact CA-O 3.24Å; K169-Y182 WeakPolarHBondContact CA-O 3.33Å; K169-K183 HydrophobicContact CG-CB 4.3Å
170P79.3Confident70.9Confident92 Ų9299.8 Ų99.860%0.59760%0.599SS**  trans-64.3-25.8-17624.8-33000112.6A172P170-A172 PolarHBondContact O-N 2.8Å
171F85.5Confident72.7Confident74 Ų74100.5 Ų100.533%0.32559%0.588SS.*EExtended strand (participates in β ladder)trans-83.683.7-176.7-53.4-72.7000112K169 R181 Y182 V185 I188K169-F171 PolarHBondContact O-N 2.96Å; F171-R181 CarbonylContact O-C 3.56Å; F171-R181 WeakPolarHBondContact O-CA 3.47Å; F171-Y182 WeakPolarHBondContact CB-O 3.24Å; F171-Y182 WeakPolarHBondContact CD2-O 3.47Å; F171-Y182 PolarHBondContact N-O 2.84Å; F171-Y182 PolarHBondContact O-N 3.2Å; F171-V185 HydrophobicContact CD1-CG2 4.13Å; F171-V185 HydrophobicContact CE1-CG2 3.51Å; F171-V185 HydrophobicContact CE2-CG2 4.22Å; F171-V185 HydrophobicContact CZ-CG2 3.57Å; F171-I188 HydrophobicContact CB-CB 4.16Å; F171-I188 HydrophobicContact CB-CD1 4.23Å; F171-I188 HydrophobicContact CB-CG2 3.81Å; F171-I188 HydrophobicContact CG-CG2 4.29Å
172A89.9Confident74.5Confident55 Ų5595.6 Ų95.646%0.45556%0.561SS.*EExtended strand (participates in β ladder)trans-80.2142.717200000112.1P170 R181 I188P170-A172 PolarHBondContact O-N 2.8Å; A172-R181 HydrophobicContact CB-CG 4.06Å; A172-I188 WeakPolarHBondContact O-CD1 3.28Å
173C89.5Confident76.1Confident12 Ų1296.7 Ų96.78%0.08155%0.553CS.*  trans-71.1129.3176.8-170.50000111.8V175 C178 K180 H196C173-V175 VanDerWaalsContact C-N 3.28Å; C173-V175 PolarHBondContact O-N 2.94Å; C173-C178 HydrophobicContact CB-CB 4.11Å; C173-K180 PolarHBondContact N-O 3.45Å; C173-H196 PolarHBondContact SG-NE2 3.12Å
174P86.5Confident77.4Confident114 Ų11492.8 Ų92.874%0.7454%0.535SS*.  trans-78.1-3.9-178.331.8-37.4000114.6
175V80.1Confident79.1Confident31 Ų3188.6 Ų88.619%0.18852%0.516CS..SBendtrans-74.8122-177.4178.40000110.1C173 G177 C178 H196C173-V175 VanDerWaalsContact C-N 3.28Å; C173-V175 PolarHBondContact O-N 2.94Å; V175-G177 PolarHBondContact O-N 3.32Å; V175-C178 HydrophobicContact CB-CB 4.19Å; V175-C178 WeakPolarHBondContact O-CB 3.36Å; V175-C178 PolarHBondContact O-N 3.11Å; V175-H196 HydrophobicContact CG2-CB 4.34Å
176P77.3Confident81.2Confident128 Ų12891.2 Ų91.283%0.83152%0.515SS*.THydrogen-bonded Turntrans-60.1127.7-175.722.6-33.3000111.6
177G77.6Confident83.1Confident78 Ų7887.6 Ų87.680%0.80448%0.477SS*.THydrogen-bonded Turntrans91-10.8-172.900000114.8V175V175-G177 PolarHBondContact O-N 3.32Å
178C85.1Confident84.7Confident24 Ų2485.2 Ų85.216%0.16246%0.464CS..  trans-84120.4172.6-162.60000111.5C173 V175 H191 H196C173-C178 HydrophobicContact CB-CB 4.11Å; V175-C178 HydrophobicContact CB-CB 4.19Å; V175-C178 WeakPolarHBondContact O-CB 3.36Å; V175-C178 PolarHBondContact O-N 3.11Å; C178-H191 PolarHBondContact SG-NE2 3.49Å; C178-H196 WeakPolarHBondContact CB-CE1 3.29Å; C178-H196 WeakPolarHBondContact CB-NE2 3.46Å; C178-H196 PolarHBondContact SG-CE1 3.16Å; C178-H196 PolarHBondContact SG-NE2 3.35Å
179K85.3Confident85.7Confident205 Ų20586 Ų8689%0.89147%0.465SS*.  trans-99.215.3178.8-59.5-172.4178.8-175.20114.1
180K86.2Confident86.7Confident119 Ų11989.4 Ų89.452%0.51748%0.477SS..  trans-84132.6-177-64.2-160.6179.9-170.80111.9C173 Y182C173-K180 PolarHBondContact N-O 3.45Å; K180-Y182 HydrophobicContact CB-CE2 3.81Å
181R90.4Very high87.3Confident104 Ų10485.6 Ų85.639%0.39245%0.451SS..EExtended strand (participates in β ladder)trans-123.8144.9175.7-57.1177.369.7174.811.5110.4D167 K169 F171 A172D167-R181 VanDerWaalsContact CB-NH1 3.32Å; D167-R181 IonicContact OD2-CZ 3.59Å; D167-R181 IonicContact OD2-NE 3.83Å; D167-R181 IonicContact OD2-NH1 2.84Å; D167-R181 PolarHBondContact OD2-NH1 3.42Å; K169-R181 HydrophobicContact CB-CB 3.72Å; K169-R181 PolarHBondContact O-NE 3.05Å; K169-R181 PolarHBondContact O-NH2 2.85Å; F171-R181 CarbonylContact O-C 3.56Å; F171-R181 WeakPolarHBondContact O-CA 3.47Å; A172-R181 HydrophobicContact CB-CG 4.06Å
182Y90.5Very high87.3Confident56 Ų5684.4 Ų84.422%0.2246%0.455CS..EExtended strand (participates in β ladder)trans-126.7150.2-175.7-67.8-92.8000111.6K169 F171 K180 N184 I188 H191K169-Y182 CarbonylContact C-O 3.35Å; K169-Y182 VanDerWaalsContact CA-O 3.24Å; K169-Y182 WeakPolarHBondContact CA-O 3.33Å; F171-Y182 WeakPolarHBondContact CB-O 3.24Å; F171-Y182 WeakPolarHBondContact CD2-O 3.47Å; F171-Y182 PolarHBondContact N-O 2.84Å; F171-Y182 PolarHBondContact O-N 3.2Å; K180-Y182 HydrophobicContact CB-CE2 3.81Å; Y182-N184 VanDerWaalsContact C-N 3.34Å; Y182-I188 HydrophobicContact CD2-CB 4.16Å; Y182-I188 HydrophobicContact CG-CB 4.45Å; Y182-H191 HydrophobicContact CE1-CB 4.5Å; Y182-H191 HydrophobicContact CE2-CB 3.72Å; Y182-H191 AromaticContact CE2-CD2 3.44Å; Y182-H191 VanDerWaalsContact CE2-CD2 3.44Å; Y182-H191 WeakPolarHBondContact CE2-CD2 3.21Å; Y182-H191 AromaticContact CE2-CG 3.66Å; Y182-H191 AromaticContact CZ-CG 3.8Å
183K88.9Confident87Confident137 Ų13789.8 Ų89.860%0.59647%0.468SS*.SBendtrans-79.5-14.7177.7-173.3157-178.1167.70113E168 K169E168-K183 WeakPolarHBondContact O-CG 3.16Å; E168-K183 IonicContact OE2-NZ 3.92Å; E168-K183 PolarHBondContact OE2-NZ 3.34Å; K169-K183 HydrophobicContact CG-CB 4.3Å
184N88.4Confident86.7Confident85 Ų8592.8 Ų92.846%0.45548%0.483SS..SBendtrans-142158.2-179.460.510.9000113.2Y182 N186 G187Y182-N184 VanDerWaalsContact C-N 3.34Å; N184-N186 PolarHBondContact O-N 2.98Å; N184-G187 PolarHBondContact O-N 3Å; N184-G187 WeakPolarHBondContact OD1-CA 3.22Å; N184-G187 PolarHBondContact OD1-N 3.22Å
185V86.4Confident86.4Confident81 Ų8189 Ų8949%0.49147%0.466SS..Hα-helixtrans-58.5-37176.1-177.30000111.5F171 G187 I188 K189F171-V185 HydrophobicContact CD1-CG2 4.13Å; F171-V185 HydrophobicContact CE1-CG2 3.51Å; F171-V185 HydrophobicContact CE2-CG2 4.22Å; F171-V185 HydrophobicContact CZ-CG2 3.57Å; V185-G187 PolarHBondContact O-N 3.28Å; V185-I188 WeakPolarHBondContact O-CG2 3.39Å; V185-I188 PolarHBondContact O-N 3.26Å; V185-K189 VanDerWaalsContact O-CB 3.29Å; V185-K189 WeakPolarHBondContact O-CB 3.12Å; V185-K189 PolarHBondContact O-N 2.85Å
186N91.6Very high86.3Confident120 Ų12088.4 Ų88.464%0.64246%0.46SS*.Hα-helixtrans-64.4-39.4-177.8-66.5-11.6000112.5N184 K189 Y190N184-N186 PolarHBondContact O-N 2.98Å; N186-K189 PolarHBondContact O-N 3.23Å; N186-Y190 PolarHBondContact O-N 2.99Å
187G90.9Very high85.8Confident16 Ų1692.6 Ų92.617%0.16546%0.46CS..Hα-helixtrans-64-44.2176.200000112.8N184 V185 H191N184-G187 PolarHBondContact O-N 3Å; N184-G187 WeakPolarHBondContact OD1-CA 3.22Å; N184-G187 PolarHBondContact OD1-N 3.22Å; V185-G187 PolarHBondContact O-N 3.28Å; G187-H191 VanDerWaalsContact O-CB 3.29Å; G187-H191 WeakPolarHBondContact O-CB 2.9Å; G187-H191 PolarHBondContact O-N 2.95Å
188I90.3Very high84.9Confident28 Ų2894.7 Ų94.714%0.14446%0.457CS..Hα-helixtrans-70.4-36.5175.5-173.9169000112.2F171 A172 Y182 V185 H191 A192F171-I188 HydrophobicContact CB-CB 4.16Å; F171-I188 HydrophobicContact CB-CD1 4.23Å; F171-I188 HydrophobicContact CB-CG2 3.81Å; F171-I188 HydrophobicContact CG-CG2 4.29Å; A172-I188 WeakPolarHBondContact O-CD1 3.28Å; Y182-I188 HydrophobicContact CD2-CB 4.16Å; Y182-I188 HydrophobicContact CG-CB 4.45Å; V185-I188 WeakPolarHBondContact O-CG2 3.39Å; V185-I188 PolarHBondContact O-N 3.26Å; I188-H191 PolarHBondContact O-N 3.29Å; I188-A192 WeakPolarHBondContact O-CB 3.44Å; I188-A192 PolarHBondContact O-N 2.88Å
189K88.5Confident83.5Confident156 Ų15699.6 Ų99.668%0.67848%0.478SS*.Hα-helixtrans-61.9-44.7176.2-170.9172.4-175.8174.20111.3V185 N186 K193V185-K189 VanDerWaalsContact O-CB 3.29Å; V185-K189 WeakPolarHBondContact O-CB 3.12Å; V185-K189 PolarHBondContact O-N 2.85Å; N186-K189 PolarHBondContact O-N 3.23Å; K189-K193 WeakPolarHBondContact O-CB 3.29Å; K189-K193 PolarHBondContact O-N 2.95Å; K189-K193 VanDerWaalsContact O-N 3.13Å
190Y91.5Very high82.2Confident163 Ų16394.6 Ų94.664%0.63946%0.459SS*.Hα-helixtrans-63.2-44.8171.8-179.7-84.3000111.8N186 A192 K193 N194N186-Y190 PolarHBondContact O-N 2.99Å; Y190-A192 PolarHBondContact O-N 3.35Å; Y190-K193 PolarHBondContact O-N 2.83Å; Y190-N194 VanDerWaalsContact CD2-ND2 3.31Å; Y190-N194 WeakPolarHBondContact CD2-ND2 3.42Å; Y190-N194 HydrophobicContact CE1-CB 4.26Å; Y190-N194 WeakPolarHBondContact CE2-ND2 3.07Å; Y190-N194 WeakPolarHBondContact O-CB 3.37Å; Y190-N194 PolarHBondContact O-N 3.21Å
191H91.9Very high80.9Confident11 Ų11100.1 Ų100.15%0.05148%0.477CS..Iπ-helixtrans-63.7-41-179.2177.339.6000113C178 Y182 G187 I188 G195 H196C178-H191 PolarHBondContact SG-NE2 3.49Å; Y182-H191 HydrophobicContact CE1-CB 4.5Å; Y182-H191 HydrophobicContact CE2-CB 3.72Å; Y182-H191 AromaticContact CE2-CD2 3.44Å; Y182-H191 VanDerWaalsContact CE2-CD2 3.44Å; Y182-H191 WeakPolarHBondContact CE2-CD2 3.21Å; Y182-H191 AromaticContact CE2-CG 3.66Å; Y182-H191 AromaticContact CZ-CG 3.8Å; G187-H191 VanDerWaalsContact O-CB 3.29Å; G187-H191 WeakPolarHBondContact O-CB 2.9Å; G187-H191 PolarHBondContact O-N 2.95Å; I188-H191 PolarHBondContact O-N 3.29Å; H191-G195 WeakPolarHBondContact O-CA 3.5Å; H191-G195 PolarHBondContact O-N 3.33Å; H191-H196 AromaticContact CD2-NE2 3.3Å; H191-H196 PolarHBondContact CD2-NE2 3.34Å; H191-H196 VanDerWaalsContact CD2-NE2 3.3Å; H191-H196 AromaticContact CE1-CD2 3.63Å; H191-H196 AromaticContact CE1-NE2 2.79Å; H191-H196 PolarHBondContact CE1-NE2 3.34Å; H191-H196 AromaticContact ND1-NE2 3.84Å; H191-H196 AromaticContact NE2-CD2 3.72Å; H191-H196 AromaticContact NE2-NE2 2.32Å; H191-H196 PolarHBondContact NE2-NE2 3.42Å
192A87.1Confident79.3Confident50 Ų5099 Ų9941%0.41348%0.481SS..Iπ-helixtrans-63.7-49.8174.500000111.3I188 Y190 N194I188-A192 WeakPolarHBondContact O-CB 3.44Å; I188-A192 PolarHBondContact O-N 2.88Å; Y190-A192 PolarHBondContact O-N 3.35Å; A192-N194 PolarHBondContact O-N 3.33Å
193K83.4Confident77.7Confident167 Ų167107.4 Ų107.473%0.72651%0.513SS*.Iπ-helixtrans-62.1-42.2-178.3-171.4172-177.3174.60113.1K189 Y190K189-K193 WeakPolarHBondContact O-CB 3.29Å; K189-K193 PolarHBondContact O-N 2.95Å; K189-K193 VanDerWaalsContact O-N 3.13Å; Y190-K193 PolarHBondContact O-N 2.83Å
194N81.7Confident76.7Confident75 Ų75106 Ų10640%0.40151%0.507SS..Iπ-helixtrans-110-38.6-169.2-62.4-41.3000113.9Y190 A192Y190-N194 VanDerWaalsContact CD2-ND2 3.31Å; Y190-N194 WeakPolarHBondContact CD2-ND2 3.42Å; Y190-N194 HydrophobicContact CE1-CB 4.26Å; Y190-N194 WeakPolarHBondContact CE2-ND2 3.07Å; Y190-N194 WeakPolarHBondContact O-CB 3.37Å; Y190-N194 PolarHBondContact O-N 3.21Å; A192-N194 PolarHBondContact O-N 3.33Å
195G80.7Confident76.1Confident36 Ų36106.1 Ų106.137%0.37151%0.512SS..Iπ-helixtrans-77.3-21-173.600000115.1H191H191-G195 WeakPolarHBondContact O-CA 3.5Å; H191-G195 PolarHBondContact O-N 3.33Å
196H78.4Confident75.9Confident17 Ų17105.8 Ų105.88%0.07950%0.504CS..SBendtrans-108.82.9-176.5-76.1-64.3000115.2C173 V175 C178 H191 T198 Q199 I200C173-H196 PolarHBondContact SG-NE2 3.12Å; V175-H196 HydrophobicContact CG2-CB 4.34Å; C178-H196 WeakPolarHBondContact CB-CE1 3.29Å; C178-H196 WeakPolarHBondContact CB-NE2 3.46Å; C178-H196 PolarHBondContact SG-CE1 3.16Å; C178-H196 PolarHBondContact SG-NE2 3.35Å; H191-H196 AromaticContact CD2-NE2 3.3Å; H191-H196 PolarHBondContact CD2-NE2 3.34Å; H191-H196 VanDerWaalsContact CD2-NE2 3.3Å; H191-H196 AromaticContact CE1-CD2 3.63Å; H191-H196 AromaticContact CE1-NE2 2.79Å; H191-H196 PolarHBondContact CE1-NE2 3.34Å; H191-H196 AromaticContact ND1-NE2 3.84Å; H191-H196 AromaticContact NE2-CD2 3.72Å; H191-H196 AromaticContact NE2-NE2 2.32Å; H191-H196 PolarHBondContact NE2-NE2 3.42Å; H196-T198 PolarHBondContact O-N 3.09Å; H196-Q199 PolarHBondContact O-N 3.44Å; H196-I200 HydrophobicContact CB-CD1 4.14Å; H196-I200 HydrophobicContact CB-CG1 4.16Å; H196-I200 PolarHBondContact O-N 2.95Å
197R66.3Low75.6Confident216 Ų216107.4 Ų107.482%0.81551%0.506SS*.THydrogen-bonded Turntrans-57.7-17.2178.7-158.8176.5-172-166.43.1114.1
198T59.7Low75.4Confident122 Ų122107.2 Ų107.275%0.74850%0.502SS*.THydrogen-bonded Turntrans-114.4-14.317654.20000114.5H196H196-T198 PolarHBondContact O-N 3.09Å
199Q55.4Low75.1Confident127 Ų127118 Ų11859%0.59354%0.541SS*.THydrogen-bonded Turntrans-112.8-18.5-169.3-71.9-70.32.600114.1H196 R201H196-Q199 PolarHBondContact O-N 3.44Å; Q199-R201 PolarHBondContact O-N 2.74Å
200I57.3Low74.9Confident100 Ų100113.3 Ų113.351%0.51353%0.527SS..SBendtrans-57114.7156.2-71.2157.1000106.2H196 V202H196-I200 HydrophobicContact CB-CD1 4.14Å; H196-I200 HydrophobicContact CB-CG1 4.16Å; H196-I200 PolarHBondContact O-N 2.95Å; I200-V202 HydrophobicContact CG2-CG2 4.46Å; I200-V202 PolarHBondContact O-N 3.16Å
201R58.8Low74.5Confident236 Ų236108.2 Ų108.289%0.89152%0.523SS*.  trans-70.475.6174.7-69-172.5-179.3-163.92109.1Q199 R203Q199-R201 PolarHBondContact O-N 2.74Å; R201-R203 PolarHBondContact O-N 3.04Å
202V57Low74.1Confident79 Ų79112.6 Ų112.648%0.47954%0.543SS..  trans-46.8111.6160.9178.60000105.7I200 K204I200-V202 HydrophobicContact CG2-CG2 4.46Å; I200-V202 PolarHBondContact O-N 3.16Å; V202-K204 VanDerWaalsContact C-N 3.26Å; V202-K204 PolarHBondContact O-N 3.43Å
203R57.6Low74.1Confident234 Ų234112.1 Ų112.188%0.88354%0.536SS*.  trans-58.598171-83.2-172.2174.7-174.20.6105.5R201 P205R201-R203 PolarHBondContact O-N 3.04Å; R203-P205 WeakPolarHBondContact O-CD 3.24Å; R203-P205 VanDerWaalsContact O-CG 3.31Å; R203-P205 WeakPolarHBondContact O-CG 3.31Å
204K66.9Low74.2Confident107 Ų107107 Ų10747%0.46551%0.513SS..  trans-66.999.7179.8-68.6-169.6-178.7179.80107.1V202 F206 S213 Y214V202-K204 VanDerWaalsContact C-N 3.26Å; V202-K204 PolarHBondContact O-N 3.43Å; K204-F206 VanDerWaalsContact C-N 3.25Å; K204-F206 PolarHBondContact O-N 2.84Å; K204-S213 WeakPolarHBondContact CD-O 3.14Å; K204-S213 PolarHBondContact NZ-O 2.89Å; K204-Y214 WeakPolarHBondContact CB-O 3.45Å
205P75.9Confident74.1Confident88 Ų88111 Ų11157%0.57153%0.526SS*.  trans-72-32.5-169.3-12.629.8000109.9R203 K207R203-P205 WeakPolarHBondContact O-CD 3.24Å; R203-P205 VanDerWaalsContact O-CG 3.31Å; R203-P205 WeakPolarHBondContact O-CG 3.31Å; P205-K207 PolarHBondContact O-N 2.85Å; P205-K207 VanDerWaalsContact O-N 3.11Å
206F83.1Confident74.3Confident73 Ų73112.8 Ų112.832%0.3253%0.53SS..EExtended strand (participates in β ladder)trans-85.983.7-173.7-48.5-66.7000110.3K204 Y214 L220K204-F206 VanDerWaalsContact C-N 3.25Å; K204-F206 PolarHBondContact O-N 2.84Å; F206-Y214 PolarHBondContact O-N 2.96Å; F206-L220 HydrophobicContact CB-CB 3.8Å; F206-L220 HydrophobicContact CB-CD2 3.73Å; F206-L220 HydrophobicContact CB-CG 4.38Å
207K84.6Confident74.8Confident154 Ų154114 Ų11467%0.6754%0.541SS*.EExtended strand (participates in β ladder)trans-89.3135.2171.6-56.5-175.8-178.5173.70110.3P205P205-K207 PolarHBondContact O-N 2.85Å; P205-K207 VanDerWaalsContact O-N 3.11Å
208C88.3Confident75.9Confident13 Ų13110.6 Ų110.69%0.08853%0.534CS..  trans-84.8157168.7-162.60000111C210 G211 K212 Y214 L220 H223 H228C208-C210 PolarHBondContact O-N 3.2Å; C208-G211 PolarHBondContact O-N 3.38Å; C208-K212 HydrophobicContact CB-CB 4.48Å; C208-K212 WeakPolarHBondContact CB-O 3.38Å; C208-K212 PolarHBondContact N-O 3.14Å; C208-Y214 HydrophobicContact CB-CE2 4.41Å; C208-L220 HydrophobicContact CB-CD1 3.46Å; C208-L220 VanDerWaalsContact CB-CD1 3.46Å; C208-H223 VanDerWaalsContact SG-CD2 3.51Å; C208-H223 PolarHBondContact SG-NE2 2.93Å; C208-H228 PolarHBondContact SG-CD2 2.64Å
209R83.3Confident77.3Confident255 Ų255105.9 Ų105.996%0.96251%0.51SS*.THydrogen-bonded Turntrans-65.6-15.2178.9-155.5169.1179.3178.1-2113.3
210C84.6Confident79Confident57 Ų57101.3 Ų101.339%0.38549%0.49SS..THydrogen-bonded Turntrans-89.212.4168.468.40000114.6C208 K212 H223 H228C208-C210 PolarHBondContact O-N 3.2Å; C210-K212 VanDerWaalsContact C-N 3.27Å; C210-K212 PolarHBondContact O-N 2.83Å; C210-H223 PolarHBondContact SG-NE2 2.98Å; C210-H228 WeakPolarHBondContact CB-NE2 3.37Å; C210-H228 PolarHBondContact SG-NE2 3.01Å
211G82.4Confident80.5Confident55 Ų55103.5 Ų103.557%0.56749%0.492SS*.SBendtrans83.6-19.4179.300000115.6C208 S213C208-G211 PolarHBondContact O-N 3.38Å; G211-S213 PolarHBondContact O-N 2.98Å; G211-S213 PolarHBondContact O-OG 3.07Å
212K83.6Confident82.2Confident104 Ų10498.2 Ų98.245%0.45248%0.476SS..  trans-62128.8178.1-65.9177.8-177.6174.50110.9C208 C210 Y214C208-K212 HydrophobicContact CB-CB 4.48Å; C208-K212 WeakPolarHBondContact CB-O 3.38Å; C208-K212 PolarHBondContact N-O 3.14Å; C210-K212 VanDerWaalsContact C-N 3.27Å; C210-K212 PolarHBondContact O-N 2.83Å; K212-Y214 HydrophobicContact CB-CE2 3.63Å; K212-Y214 WeakPolarHBondContact O-CE2 3.33Å
213S87.1Confident83.8Confident40 Ų4094.7 Ų94.728%0.2846%0.455SS..EExtended strand (participates in β ladder)trans-118.3132.4-172.4-60.80000112.3K204 G211K204-S213 WeakPolarHBondContact CD-O 3.14Å; K204-S213 PolarHBondContact NZ-O 2.89Å; G211-S213 PolarHBondContact O-N 2.98Å; G211-S213 PolarHBondContact O-OG 3.07Å
214Y86.3Confident85.4Confident59 Ų5986.2 Ų86.223%0.23143%0.429CS..EExtended strand (participates in β ladder)trans-119.2151.7-167.6-65.3-90.5000113.1K204 F206 C208 K212 L220 H223K204-Y214 WeakPolarHBondContact CB-O 3.45Å; F206-Y214 PolarHBondContact O-N 2.96Å; C208-Y214 HydrophobicContact CB-CE2 4.41Å; K212-Y214 HydrophobicContact CB-CE2 3.63Å; K212-Y214 WeakPolarHBondContact O-CE2 3.33Å; Y214-L220 HydrophobicContact CD2-CB 4.22Å; Y214-L220 HydrophobicContact CD2-CD1 4.02Å; Y214-L220 HydrophobicContact CE2-CD1 4.42Å; Y214-L220 HydrophobicContact CG-CB 4.36Å; Y214-H223 HydrophobicContact CE1-CB 3.98Å; Y214-H223 HydrophobicContact CE2-CB 4.01Å; Y214-H223 AromaticContact CE2-CD2 3.33Å; Y214-H223 WeakPolarHBondContact CE2-CD2 3.46Å; Y214-H223 AromaticContact CE2-CG 3.8Å; Y214-H223 AromaticContact CZ-CD2 3.54Å; Y214-H223 AromaticContact CZ-CG 3.5Å; Y214-H223 PolarHBondContact OH-CD2 3.21Å; Y214-H223 VanDerWaalsContact OH-CD2 3.27Å
215K79.8Confident86.5Confident158 Ų15886.3 Ų86.369%0.68743%0.434SS*.SBendtrans-71.3-30.4179-166.7-169.7175.2-165.60112.4
216T84.8Confident87.1Confident74 Ų7486.4 Ų86.445%0.45443%0.429SS..SBendtrans-134153.4-173.461.10000111.8Q218 G219 L220T216-Q218 PolarHBondContact O-N 3.1Å; T216-G219 PolarHBondContact O-N 3.15Å; T216-G219 PolarHBondContact OG1-N 2.94Å; T216-L220 PolarHBondContact O-N 3.42Å; T216-L220 VanDerWaalsContact O-N 3.12Å
217S87.6Confident87.1Confident44 Ų4489.2 Ų89.231%0.30844%0.442SS..Hα-helixtrans-63.9-28.2177.868.60000112.7R221S217-R221 WeakPolarHBondContact O-CB 3.49Å; S217-R221 WeakPolarHBondContact O-CG 3.47Å; S217-R221 PolarHBondContact O-N 3.19Å; S217-R221 PolarHBondContact O-NE 2.93Å; S217-R221 PolarHBondContact OG-NH2 3.28Å
218Q89.4Confident87.2Confident143 Ų14385.6 Ų85.667%0.66843%0.427SS*.Hα-helixtrans-76.5-36177.1-164168.74.800111.9T216 R221 H222T216-Q218 PolarHBondContact O-N 3.1Å; Q218-R221 PolarHBondContact O-N 3.43Å; Q218-H222 WeakPolarHBondContact O-CB 3.35Å; Q218-H222 PolarHBondContact O-N 3.17Å
219G88.8Confident86.6Confident24 Ų2489.2 Ų89.225%0.24745%0.45CS..Hα-helixtrans-64.2-39.5170.800000112.5T216 H223T216-G219 PolarHBondContact O-N 3.15Å; T216-G219 PolarHBondContact OG1-N 2.94Å; G219-H223 WeakPolarHBondContact O-CB 3.49Å; G219-H223 PolarHBondContact O-N 3.38Å; G219-H223 VanDerWaalsContact O-N 3.14Å
220L91.9Very high85.8Confident31 Ų3182.3 Ų82.316%0.16244%0.439CS..Hα-helixtrans-62.8-50.2170173.960.4000111.4F206 C208 Y214 T216 H222 H223 T224F206-L220 HydrophobicContact CB-CB 3.8Å; F206-L220 HydrophobicContact CB-CD2 3.73Å; F206-L220 HydrophobicContact CB-CG 4.38Å; C208-L220 HydrophobicContact CB-CD1 3.46Å; C208-L220 VanDerWaalsContact CB-CD1 3.46Å; Y214-L220 HydrophobicContact CD2-CB 4.22Å; Y214-L220 HydrophobicContact CD2-CD1 4.02Å; Y214-L220 HydrophobicContact CE2-CD1 4.42Å; Y214-L220 HydrophobicContact CG-CB 4.36Å; T216-L220 PolarHBondContact O-N 3.42Å; T216-L220 VanDerWaalsContact O-N 3.12Å; L220-H222 PolarHBondContact O-N 3.29Å; L220-H223 PolarHBondContact O-N 2.67Å; L220-T224 PolarHBondContact O-N 2.82Å; L220-T224 PolarHBondContact O-OG1 3.35Å; L220-T224 VanDerWaalsContact O-OG1 3.14Å
221R89.4Confident84.7Confident146 Ų14687.6 Ų87.655%0.55146%0.461SS*.Hα-helixtrans-57.1-46.6179.4-81.3178.4-79.9176.3-4.9112.6S217 Q218 H223 T224 I225S217-R221 WeakPolarHBondContact O-CB 3.49Å; S217-R221 WeakPolarHBondContact O-CG 3.47Å; S217-R221 PolarHBondContact O-N 3.19Å; S217-R221 PolarHBondContact O-NE 2.93Å; S217-R221 PolarHBondContact OG-NH2 3.28Å; Q218-R221 PolarHBondContact O-N 3.43Å; R221-H223 VanDerWaalsContact C-N 3.34Å; R221-H223 PolarHBondContact O-N 3.33Å; R221-T224 PolarHBondContact O-N 2.77Å; R221-I225 VanDerWaalsContact O-CG1 3.29Å; R221-I225 WeakPolarHBondContact O-CG1 3.46Å; R221-I225 PolarHBondContact O-N 3.45Å
222H93.3Very high83Confident124 Ų12489.5 Ų89.557%0.57447%0.466SS*.Hα-helixtrans-62-39.9177.3-177.690.5000112.2Q218 L220 N226Q218-H222 WeakPolarHBondContact O-CB 3.35Å; Q218-H222 PolarHBondContact O-N 3.17Å; L220-H222 PolarHBondContact O-N 3.29Å; H222-N226 PolarHBondContact CE1-ND2 3.47Å; H222-N226 VanDerWaalsContact CE1-ND2 3.26Å; H222-N226 PolarHBondContact NE2-ND2 3.19Å; H222-N226 VanDerWaalsContact NE2-ND2 3.12Å; H222-N226 WeakPolarHBondContact O-CB 3.39Å; H222-N226 PolarHBondContact O-N 3.28Å; H222-N226 VanDerWaalsContact O-N 3.16Å
223H91.9Very high81.3Confident6 Ų691.4 Ų91.43%0.02849%0.486CS..Hα-helixtrans-65-44.5172165.149.6000112.4C208 C210 Y214 G219 L220 R221 I225 N226 F227 H228C208-H223 VanDerWaalsContact SG-CD2 3.51Å; C208-H223 PolarHBondContact SG-NE2 2.93Å; C210-H223 PolarHBondContact SG-NE2 2.98Å; Y214-H223 HydrophobicContact CE1-CB 3.98Å; Y214-H223 HydrophobicContact CE2-CB 4.01Å; Y214-H223 AromaticContact CE2-CD2 3.33Å; Y214-H223 WeakPolarHBondContact CE2-CD2 3.46Å; Y214-H223 AromaticContact CE2-CG 3.8Å; Y214-H223 AromaticContact CZ-CD2 3.54Å; Y214-H223 AromaticContact CZ-CG 3.5Å; Y214-H223 PolarHBondContact OH-CD2 3.21Å; Y214-H223 VanDerWaalsContact OH-CD2 3.27Å; G219-H223 WeakPolarHBondContact O-CB 3.49Å; G219-H223 PolarHBondContact O-N 3.38Å; G219-H223 VanDerWaalsContact O-N 3.14Å; L220-H223 PolarHBondContact O-N 2.67Å; R221-H223 VanDerWaalsContact C-N 3.34Å; R221-H223 PolarHBondContact O-N 3.33Å; H223-I225 PolarHBondContact O-N 3.39Å; H223-N226 PolarHBondContact O-N 3.48Å; H223-F227 AromaticContact CE1-CG 3.9Å; H223-F227 AromaticContact ND1-CD2 3.26Å; H223-F227 VanDerWaalsContact ND1-CD2 3.26Å; H223-F227 WeakPolarHBondContact ND1-CD2 3.49Å; H223-F227 AromaticContact ND1-CG 3.55Å; H223-F227 WeakPolarHBondContact O-CB 3.46Å; H223-F227 WeakPolarHBondContact O-CD2 3.42Å; H223-F227 PolarHBondContact O-N 3.04Å; H223-H228 AromaticContact CE1-NE2 3.88Å; H223-H228 AromaticContact NE2-CD2 3.9Å; H223-H228 AromaticContact NE2-NE2 3.73Å
224T90.9Very high79.5Confident55 Ų5596.1 Ų96.134%0.33751%0.508SS..Hα-helixtrans-59.5-47.8176.9-58.80000110.7L220 R221 N226 H228L220-T224 PolarHBondContact O-N 2.82Å; L220-T224 PolarHBondContact O-OG1 3.35Å; L220-T224 VanDerWaalsContact O-OG1 3.14Å; R221-T224 PolarHBondContact O-N 2.77Å; T224-N226 PolarHBondContact O-N 2.7Å; T224-H228 HydrophobicContact CG2-CB 4.21Å; T224-H228 CarbonylContact O-C 2.97Å; T224-H228 WeakPolarHBondContact O-CA 3.23Å; T224-H228 WeakPolarHBondContact O-CB 3.34Å; T224-H228 PolarHBondContact O-N 3.36Å
225I89.1Confident77.8Confident110 Ų11098 Ų9856%0.56453%0.53SS*.Hα-helixtrans-59.1-46.2-179.9-67.7161.7000111.7R221 H223R221-I225 VanDerWaalsContact O-CG1 3.29Å; R221-I225 WeakPolarHBondContact O-CG1 3.46Å; R221-I225 PolarHBondContact O-N 3.45Å; H223-I225 PolarHBondContact O-N 3.39Å
226N88.4Confident76.4Confident90 Ų90100.3 Ų100.348%0.48154%0.541SS..Hα-helixtrans-85.3-21.3-172.5-70-19000115H222 H223 T224H222-N226 PolarHBondContact CE1-ND2 3.47Å; H222-N226 VanDerWaalsContact CE1-ND2 3.26Å; H222-N226 PolarHBondContact NE2-ND2 3.19Å; H222-N226 VanDerWaalsContact NE2-ND2 3.12Å; H222-N226 WeakPolarHBondContact O-CB 3.39Å; H222-N226 PolarHBondContact O-N 3.28Å; H222-N226 VanDerWaalsContact O-N 3.16Å; H223-N226 PolarHBondContact O-N 3.48Å; T224-N226 PolarHBondContact O-N 2.7Å
227F84.4Confident75.1Confident132 Ų132108.5 Ų108.558%0.57956%0.563SS**Hα-helixtrans-123.3-11.5-175.3-62.1-94.6000113.9H223 P229H223-F227 AromaticContact CE1-CG 3.9Å; H223-F227 AromaticContact ND1-CD2 3.26Å; H223-F227 VanDerWaalsContact ND1-CD2 3.26Å; H223-F227 WeakPolarHBondContact ND1-CD2 3.49Å; H223-F227 AromaticContact ND1-CG 3.55Å; H223-F227 WeakPolarHBondContact O-CB 3.46Å; H223-F227 WeakPolarHBondContact O-CD2 3.42Å; H223-F227 PolarHBondContact O-N 3.04Å; F227-P229 VanDerWaalsContact C-CD 3.49Å
228H85.6Confident73.2Confident78 Ų78116.1 Ų116.136%0.36159%0.591SS.*SBendtrans-134.758.8172-59.3-56000109.2C208 C210 H223 T224C208-H228 PolarHBondContact SG-CD2 2.64Å; C210-H228 WeakPolarHBondContact CB-NE2 3.37Å; C210-H228 PolarHBondContact SG-NE2 3.01Å; H223-H228 AromaticContact CE1-NE2 3.88Å; H223-H228 AromaticContact NE2-CD2 3.9Å; H223-H228 AromaticContact NE2-NE2 3.73Å; T224-H228 HydrophobicContact CG2-CB 4.21Å; T224-H228 CarbonylContact O-C 2.97Å; T224-H228 WeakPolarHBondContact O-CA 3.23Å; T224-H228 WeakPolarHBondContact O-CB 3.34Å; T224-H228 PolarHBondContact O-N 3.36Å
229P77.1Confident71.3Confident88 Ų88118.7 Ų118.757%0.57160%0.6SS**  trans-52134.6178.624.1-34.8000109.1F227 I231F227-P229 VanDerWaalsContact C-CD 3.49Å; P229-I231 PolarHBondContact O-N 3.14Å
230P65.8Low69.3Low111 Ų111126.3 Ų126.372%0.72163%0.629SS**  trans-67.7102.1-172.126.6-33.9000109.9S232P230-S232 PolarHBondContact O-N 3.31Å
231I60.6Low67Low168 Ų168137.5 Ų137.586%0.86268%0.681SS**  trans-60.6102.9160.933.8172.3000107.6P229 T233P229-I231 PolarHBondContact O-N 3.14Å; I231-T233 PolarHBondContact O-N 3.45Å
232S47.1Very low65.9Low95 Ų95137.1 Ų137.166%0.66469%0.687SS**  trans-51132.5-175.5-55.80000111.2P230 D234P230-S232 PolarHBondContact O-N 3.31Å; S232-D234 PolarHBondContact O-N 3.45Å
233T48.6Very low64.5Low143 Ų143137.8 Ų137.888%0.87769%0.693SS**SBendtrans-7530.1175.5520000113I231 S235I231-T233 PolarHBondContact O-N 3.45Å; T233-S235 PolarHBondContact O-N 3.32Å
234D48Very low62.9Low139 Ų139145.1 Ų145.174%0.74373%0.73SS**THydrogen-bonded Turntrans-95.160.9-179.5-163.3-121.9000110.4S232S232-D234 PolarHBondContact O-N 3.45Å
235S50.7Low61.3Low100 Ų100150.4 Ų150.470%0.69975%0.753SS**THydrogen-bonded Turntrans-146-2.8-178.8-61.50000114.6T233T233-S235 PolarHBondContact O-N 3.32Å
236F51.2Low59.5Low205 Ų205152.9 Ų152.990%0.89977%0.765SS**SBendtrans-110.92.8-179.3-77.6-72.5000115
237R56.3Low57.6Low246 Ų246157.1 Ų157.193%0.92878%0.784SS**SBendtrans-111.423.1-179.9-142.8178-169.3176.53.4115.2
238K49.5Very low55.7Low205 Ų205158.9 Ų158.989%0.89180%0.798SS**SBendtrans-134.142.1178.1-153.5172.2-173.9174.30113.5
239K48.5Very low53.4Low196 Ų196165.2 Ų165.285%0.85283%0.832SS**  trans-149.244.8170.2-148.2177.2-176.8-179.90115.3
240Q47.6Very low51.4Low184 Ų184171.6 Ų171.686%0.8685%0.854SS**  trans-128.7117.3149.2-69.5177.3-800102.4
241Q43.2Very low50.1Low267 Ų267177.1 Ų177.1100%1.24887%0.866SS**  52.4055.3-72.5-165.7-27.600111.3

Retrieved 241 of 241 residues in 34.6 ms (Link to these results)

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