A0A060D112_MAIZE Loading...

AP2-EREBP transcription factor

AlphaFold DB , UniProt , Accession A0A060D112, Species MAIZE (Zea mays, Maize), Gene EREB63, Length 178 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
1M52Low54.6Low237 Ų237135.1 Ų135.1100%1.16770%0.701SS**  0116.10-67.5100.6173.900109.3R3M1-R3 PolarHBondContact O-N 3.08Å
2R50Low54.8Low252 Ų252133 Ų13395%0.95169%0.691SS**  trans-76.3115.2171.4-68-176.3-177.6167.11.7107.3A4R2-A4 PolarHBondContact O-N 3.35Å
3R49.4Very low55.1Low228 Ų228124.2 Ų124.286%0.8665%0.65SS**  trans-62.5121.2170.7-75.4-167.5169.8-168.8-1.4107.5M1 E5M1-R3 PolarHBondContact O-N 3.08Å; R3-E5 PolarHBondContact O-N 2.71Å
4A53.8Low55.3Low99 Ų99119.9 Ų119.982%0.81863%0.625SS**  trans-73.6113.1172.600000107.9R2R2-A4 PolarHBondContact O-N 3.35Å
5E51.9Low55.7Low140 Ų140126.1 Ų126.165%0.65464%0.637SS**  trans-69.8135.3171-64.4-67.9126.600108.7R3 V7R3-E5 PolarHBondContact O-N 2.71Å; E5-V7 PolarHBondContact O-N 3.13Å
6P55.6Low56Low86 Ų86131.6 Ų131.656%0.55865%0.648SS**  trans-72.596.6179.929.1-33000110Q10P6-Q10 PolarHBondContact O-NE2 3.21Å
7V59.7Low56.3Low116 Ų116125.5 Ų125.570%0.70362%0.618SS**  trans-78.4-20.9177.81770000112.1E5E5-V7 PolarHBondContact O-N 3.13Å
8G53.9Low56.6Low48 Ų48123.9 Ų123.950%0.49562%0.621SS.*Hα-helixtrans-79.1-45.9-17400000115.5Q10 A11G8-Q10 PolarHBondContact O-N 3.09Å; G8-Q10 VanDerWaalsContact O-N 3.1Å; G8-A11 PolarHBondContact O-N 3.07Å
9E57.7Low57.6Low153 Ų153120.6 Ų120.672%0.71562%0.621SS**Hα-helixtrans-59.5-30.5-178.1-164.482.23.700111.8A13E9-A13 WeakPolarHBondContact O-CB 3.43Å; E9-A13 PolarHBondContact O-N 3.18Å
10Q57.8Low58.9Low74 Ų74117.7 Ų117.735%0.34660%0.603SS.*Hα-helixtrans-69.7-32.6-175.8-64.3-179.745.700113.1P6 G8 A13 E14P6-Q10 PolarHBondContact O-NE2 3.21Å; G8-Q10 PolarHBondContact O-N 3.09Å; G8-Q10 VanDerWaalsContact O-N 3.1Å; Q10-A13 WeakPolarHBondContact O-CB 3.23Å; Q10-E14 VanDerWaalsContact O-CB 3.31Å; Q10-E14 WeakPolarHBondContact O-CB 3.46Å; Q10-E14 WeakPolarHBondContact O-CG 3.47Å; Q10-E14 PolarHBondContact O-N 3.21Å
11A59Low60Low53 Ų53117.6 Ų117.644%0.43860%0.598SS.*Hα-helixtrans-78.7-38.2-177.300000112.2G8 E14 R15G8-A11 PolarHBondContact O-N 3.07Å; A11-E14 WeakPolarHBondContact O-CB 3.38Å; A11-E14 PolarHBondContact O-N 3.31Å; A11-R15 PolarHBondContact O-N 2.91Å
12D56.4Low61.6Low110 Ų110107.9 Ų107.959%0.58856%0.558SS**Hα-helixtrans-72.1-39.6175.2-68.4-52.3000111.6R15 R16D12-R15 PolarHBondContact O-N 3.43Å; D12-R16 PolarHBondContact O-N 3.37Å
13A58.9Low63.4Low19 Ų1996.9 Ų96.916%0.15752%0.519CS..Hα-helixtrans-51-6016500000109.4E9 Q10 R15 R16 M17E9-A13 WeakPolarHBondContact O-CB 3.43Å; E9-A13 PolarHBondContact O-N 3.18Å; Q10-A13 WeakPolarHBondContact O-CB 3.23Å; A13-R15 VanDerWaalsContact C-N 3.28Å; A13-R15 PolarHBondContact O-N 2.87Å; A13-R16 PolarHBondContact O-N 3.35Å; A13-R16 VanDerWaalsContact O-N 3.16Å; A13-M17 WeakPolarHBondContact CA-SD 3.37Å; A13-M17 HydrophobicContact CB-CE 3.2Å; A13-M17 HydrophobicContact CB-SD 3.32Å; A13-M17 WeakPolarHBondContact CB-SD 3.23Å; A13-M17 WeakPolarHBondContact O-CA 3.47Å; A13-M17 WeakPolarHBondContact O-CB 3.42Å; A13-M17 WeakPolarHBondContact O-CG 3.45Å; A13-M17 PolarHBondContact O-N 2.97Å
14E58.7Low65.3Low64 Ų6491 Ų9130%0.29950%0.497SS..Hα-helixtrans-50.5-43.7176.4-84.2179.7130.900114.4Q10 A11 M17 S18 R25 W31Q10-E14 VanDerWaalsContact O-CB 3.31Å; Q10-E14 WeakPolarHBondContact O-CB 3.46Å; Q10-E14 WeakPolarHBondContact O-CG 3.47Å; Q10-E14 PolarHBondContact O-N 3.21Å; A11-E14 WeakPolarHBondContact O-CB 3.38Å; A11-E14 PolarHBondContact O-N 3.31Å; E14-M17 PolarHBondContact O-N 3.12Å; E14-S18 WeakPolarHBondContact O-CA 3.46Å; E14-S18 WeakPolarHBondContact O-CB 3.36Å; E14-S18 PolarHBondContact O-N 3.18Å; E14-S18 PolarHBondContact O-OG 3.06Å; E14-R25 IonicContact OE1-CZ 2.78Å; E14-R25 IonicContact OE1-NE 2.65Å; E14-R25 PolarHBondContact OE1-NE 3.47Å; E14-R25 IonicContact OE1-NH2 3.01Å; E14-R25 PolarHBondContact OE1-NH2 3.43Å; E14-R25 IonicContact OE2-CZ 3.9Å; E14-R25 IonicContact OE2-NE 2.86Å; E14-R25 IonicContact OE2-NH2 3.5Å; E14-R25 PolarHBondContact OE2-NH2 2.94Å; E14-W31 HydrophobicContact CG-CH2 4.34Å
15R61.5Low66.9Low213 Ų21389.6 Ų89.680%0.80447%0.47SS*.Hα-helixtrans-69.4-39.3-177.2-168174.1-178.6-80.4-1.7112.2A11 D12 A13A11-R15 PolarHBondContact O-N 2.91Å; D12-R15 PolarHBondContact O-N 3.43Å; A13-R15 VanDerWaalsContact C-N 3.28Å; A13-R15 PolarHBondContact O-N 2.87Å
16R60.6Low68.6Low214 Ų21489.6 Ų89.681%0.80846%0.464SS*.Hα-helixtrans-73.1-33.1174.9-72.5176.5139167.7-4.8112D12 A13D12-R16 PolarHBondContact O-N 3.37Å; A13-R16 PolarHBondContact O-N 3.35Å; A13-R16 VanDerWaalsContact O-N 3.16Å
17M60.4Low70.1Confident28 Ų2896.8 Ų96.814%0.13848%0.48CS..Hα-helixtrans-94-16.4-171.3-60.4156.7-170.700113.2A13 E14 G19 Y20 W31 P52A13-M17 WeakPolarHBondContact CA-SD 3.37Å; A13-M17 HydrophobicContact CB-CE 3.2Å; A13-M17 HydrophobicContact CB-SD 3.32Å; A13-M17 WeakPolarHBondContact CB-SD 3.23Å; A13-M17 WeakPolarHBondContact O-CA 3.47Å; A13-M17 WeakPolarHBondContact O-CB 3.42Å; A13-M17 WeakPolarHBondContact O-CG 3.45Å; A13-M17 PolarHBondContact O-N 2.97Å; E14-M17 PolarHBondContact O-N 3.12Å; M17-G19 PolarHBondContact O-N 2.93Å; M17-G19 VanDerWaalsContact O-N 3.1Å; M17-Y20 HydrophobicContact CB-CD2 4.25Å; M17-Y20 HydrophobicContact CB-CE2 4.5Å; M17-Y20 HydrophobicContact CG-CE2 4.38Å; M17-Y20 PolarHBondContact O-N 2.85Å; M17-Y20 VanDerWaalsContact O-N 3.11Å; M17-W31 HydrophobicContact CB-CH2 3.48Å; M17-W31 VanDerWaalsContact CB-CH2 3.48Å; M17-W31 HydrophobicContact CB-CZ2 4.21Å; M17-W31 HydrophobicContact CB-CZ3 3.89Å; M17-W31 HydrophobicContact CG-CH2 4.15Å; M17-W31 HydrophobicContact CG-CZ2 4.41Å; M17-W31 HydrophobicContact SD-CH2 3.57Å; M17-W31 VanDerWaalsContact SD-CH2 3.57Å; M17-W31 HydrophobicContact SD-CZ2 3.31Å; M17-W31 WeakPolarHBondContact SD-CZ2 3.39Å; M17-P52 HydrophobicContact CB-CB 3.85Å; M17-P52 HydrophobicContact CB-CG 4.21Å; M17-P52 HydrophobicContact CE-CG 3.91Å; M17-P52 HydrophobicContact CG-CB 3.76Å; M17-P52 HydrophobicContact CG-CG 3.54Å; M17-P52 HydrophobicContact SD-CB 3.92Å; M17-P52 HydrophobicContact SD-CG 3.42Å; M17-P52 WeakPolarHBondContact SD-CG 3.37Å
18S60.8Low71.2Confident97 Ų97101.3 Ų101.368%0.67849%0.485SS*.THydrogen-bonded Turntrans-61.4-10.2166.1-66.80000112.3E14E14-S18 WeakPolarHBondContact O-CA 3.46Å; E14-S18 WeakPolarHBondContact O-CB 3.36Å; E14-S18 PolarHBondContact O-N 3.18Å; E14-S18 PolarHBondContact O-OG 3.06Å
19G77Confident72.7Confident61 Ų61100.4 Ų100.463%0.62948%0.475SS*.THydrogen-bonded Turntrans-78.2-18.8173.200000114.6M17 K21M17-G19 PolarHBondContact O-N 2.93Å; M17-G19 VanDerWaalsContact O-N 3.1Å; G19-K21 PolarHBondContact O-N 2.97Å
20Y82.4Confident74.2Confident62 Ų6297.4 Ų97.424%0.24346%0.46CS..SBendtrans-78.8123.5-178.4-66.1-60.9000111.7M17 G22 V23 P52 E53 A56 N79 F80M17-Y20 HydrophobicContact CB-CD2 4.25Å; M17-Y20 HydrophobicContact CB-CE2 4.5Å; M17-Y20 HydrophobicContact CG-CE2 4.38Å; M17-Y20 PolarHBondContact O-N 2.85Å; M17-Y20 VanDerWaalsContact O-N 3.11Å; Y20-G22 PolarHBondContact O-N 2.9Å; Y20-V23 PolarHBondContact O-N 2.96Å; Y20-P52 HydrophobicContact CD2-CB 4.29Å; Y20-E53 HydrophobicContact CE2-CG 4.5Å; Y20-A56 HydrophobicContact CD1-CB 3.99Å; Y20-A56 HydrophobicContact CG-CB 3.94Å; Y20-N79 WeakPolarHBondContact CA-OD1 3.3Å; Y20-N79 HydrophobicContact CD1-CB 3.95Å; Y20-F80 HydrophobicContact CD1-CZ 4.22Å; Y20-F80 AromaticContact CE1-CE1 3.91Å; Y20-F80 HydrophobicContact CE1-CE1 3.91Å; Y20-F80 HydrophobicContact CE1-CE2 4.42Å; Y20-F80 AromaticContact CE1-CZ 3.57Å; Y20-F80 HydrophobicContact CE1-CZ 3.57Å
21K82.8Confident75.8Confident116 Ų11694.9 Ų94.950%0.50445%0.447SS..THydrogen-bonded Turntrans-62.5132.2178-60.2166-172.2-86.50109.7G19 V23 H59 A77 N79G19-K21 PolarHBondContact O-N 2.97Å; K21-V23 VanDerWaalsContact C-N 3.26Å; K21-V23 PolarHBondContact O-N 3.04Å; K21-H59 PolarHBondContact O-CD2 3.21Å; K21-H59 VanDerWaalsContact O-CD2 3.28Å; K21-A77 WeakPolarHBondContact CD-O 3.17Å; K21-A77 WeakPolarHBondContact CE-O 3.37Å; K21-N79 PolarHBondContact N-OD1 2.99Å; K21-N79 PolarHBondContact O-ND2 2.75Å
22G84.7Confident77.3Confident33 Ų3392.8 Ų92.834%0.3443%0.429SS..THydrogen-bonded Turntrans77.43.5175.700000115.8Y20Y20-G22 PolarHBondContact O-N 2.9Å
23V89.4Confident79Confident20 Ų2087.6 Ų87.612%0.12140%0.401CS..EExtended strand (participates in β ladder)trans-105.3131.6-179.7179.60000110.5Y20 K21 W31 P52 A55 A56Y20-V23 PolarHBondContact O-N 2.96Å; K21-V23 VanDerWaalsContact C-N 3.26Å; K21-V23 PolarHBondContact O-N 3.04Å; V23-W31 HydrophobicContact CG1-CB 4.45Å; V23-W31 HydrophobicContact CG1-CD2 4.4Å; V23-W31 HydrophobicContact CG1-CE3 3.54Å; V23-W31 HydrophobicContact CG1-CZ3 4.18Å; V23-P52 HydrophobicContact CG1-CB 4.46Å; V23-A55 HydrophobicContact CB-CB 4.41Å; V23-A55 HydrophobicContact CG1-CB 3.81Å; V23-A55 HydrophobicContact CG2-CB 3.79Å; V23-A56 HydrophobicContact CG2-CB 3.77Å; V23-A56 VanDerWaalsContact CG2-N 3.34Å
24R88.6Confident80.5Confident105 Ų10589.7 Ų89.740%0.39641%0.408SS..EExtended strand (participates in β ladder)trans-130.8143.8173.166.6-179.9176.879.2-2.4111.9W31 V32 E34R24-W31 WeakPolarHBondContact O-CA 3.37Å; R24-V32 HydrophobicContact CG-CB 4.03Å; R24-V32 PolarHBondContact N-O 2.86Å; R24-V32 VanDerWaalsContact N-O 3.08Å; R24-V32 PolarHBondContact O-N 3.36Å; R24-E34 IonicContact CZ-OE2 3.65Å; R24-E34 IonicContact NE-OE2 2.65Å; R24-E34 PolarHBondContact NE-OE2 2.88Å; R24-E34 IonicContact NH2-OE2 3.06Å; R24-E34 PolarHBondContact NH2-OE2 3.41Å
25R87Confident82Confident70 Ų7087.2 Ų87.226%0.26440%0.397SS..EExtended strand (participates in β ladder)trans-93.1132.5171.9-152.9179.470116.5-10.1110.7E14 W31E14-R25 IonicContact OE1-CZ 2.78Å; E14-R25 IonicContact OE1-NE 2.65Å; E14-R25 PolarHBondContact OE1-NE 3.47Å; E14-R25 IonicContact OE1-NH2 3.01Å; E14-R25 PolarHBondContact OE1-NH2 3.43Å; E14-R25 IonicContact OE2-CZ 3.9Å; E14-R25 IonicContact OE2-NE 2.86Å; E14-R25 IonicContact OE2-NH2 3.5Å; E14-R25 PolarHBondContact OE2-NH2 2.94Å; R25-W31 HydrophobicContact CB-CD2 4.32Å; R25-W31 HydrophobicContact CB-CE3 3.8Å; R25-W31 HydrophobicContact CB-CH2 3.95Å; R25-W31 HydrophobicContact CB-CZ2 4.41Å; R25-W31 HydrophobicContact CB-CZ3 3.63Å; R25-W31 HydrophobicContact CG-CD2 4.05Å; R25-W31 HydrophobicContact CG-CE3 4.04Å; R25-W31 HydrophobicContact CG-CH2 4Å; R25-W31 HydrophobicContact CG-CZ2 3.95Å; R25-W31 HydrophobicContact CG-CZ3 4.05Å
26R88.5Confident83.3Confident140 Ų14085.3 Ų85.353%0.52839%0.389SS..  trans-92.4156.5171.2-160.4173.2-165.6178.43109.8W28 G29 K30R26-W28 PolarHBondContact O-N 2.81Å; R26-G29 PolarHBondContact O-N 2.62Å; R26-K30 PolarHBondContact N-O 3.28Å
27R85.8Confident84.4Confident237 Ų23775.9 Ų75.989%0.89436%0.356SS*.THydrogen-bonded Turntrans-53.3-22.1172.971173.9-176.4-103.71.4115.1G29R27-G29 PolarHBondContact O-N 3.21Å
28W83.1Confident85.4Confident211 Ų21178.8 Ų78.880%0.79938%0.377SS*.THydrogen-bonded Turntrans-74.8-6.8174.9-177.4-106.3000113R26R26-W28 PolarHBondContact O-N 2.81Å
29G85.4Confident86.4Confident28 Ų2878.7 Ų78.729%0.28939%0.391SS..SBendtrans87-0.4179.400000114.9R26 R27R26-G29 PolarHBondContact O-N 2.62Å; R27-G29 PolarHBondContact O-N 3.21Å
30K89.2Confident86.7Confident91 Ų9178.6 Ų78.640%0.39638%0.381SS..  trans-87.9144.6174.1-63.8-69.2-177.4179.60111.5R26R26-K30 PolarHBondContact N-O 3.28Å
31W90.8Very high86.9Confident20 Ų2087.5 Ų87.58%0.07641%0.414CS..EExtended strand (participates in β ladder)trans-88135.2173-60.592.1000108.9E14 M17 V23 R24 R25 S48 Y49 A50 P52 A55E14-W31 HydrophobicContact CG-CH2 4.34Å; M17-W31 HydrophobicContact CB-CH2 3.48Å; M17-W31 VanDerWaalsContact CB-CH2 3.48Å; M17-W31 HydrophobicContact CB-CZ2 4.21Å; M17-W31 HydrophobicContact CB-CZ3 3.89Å; M17-W31 HydrophobicContact CG-CH2 4.15Å; M17-W31 HydrophobicContact CG-CZ2 4.41Å; M17-W31 HydrophobicContact SD-CH2 3.57Å; M17-W31 VanDerWaalsContact SD-CH2 3.57Å; M17-W31 HydrophobicContact SD-CZ2 3.31Å; M17-W31 WeakPolarHBondContact SD-CZ2 3.39Å; V23-W31 HydrophobicContact CG1-CB 4.45Å; V23-W31 HydrophobicContact CG1-CD2 4.4Å; V23-W31 HydrophobicContact CG1-CE3 3.54Å; V23-W31 HydrophobicContact CG1-CZ3 4.18Å; R24-W31 WeakPolarHBondContact O-CA 3.37Å; R25-W31 HydrophobicContact CB-CD2 4.32Å; R25-W31 HydrophobicContact CB-CE3 3.8Å; R25-W31 HydrophobicContact CB-CH2 3.95Å; R25-W31 HydrophobicContact CB-CZ2 4.41Å; R25-W31 HydrophobicContact CB-CZ3 3.63Å; R25-W31 HydrophobicContact CG-CD2 4.05Å; R25-W31 HydrophobicContact CG-CE3 4.04Å; R25-W31 HydrophobicContact CG-CH2 4Å; R25-W31 HydrophobicContact CG-CZ2 3.95Å; R25-W31 HydrophobicContact CG-CZ3 4.05Å; W31-S48 CarbonylContact O-C 3.57Å; W31-S48 WeakPolarHBondContact O-CA 3.44Å; W31-Y49 PolarHBondContact N-O 2.89Å; W31-Y49 PolarHBondContact O-N 2.79Å; W31-A50 VanDerWaalsContact CD1-O 3.26Å; W31-P52 HydrophobicContact CD2-CB 3.71Å; W31-P52 HydrophobicContact CE3-CB 3.89Å; W31-P52 HydrophobicContact CG-CB 4.19Å; W31-P52 HydrophobicContact CH2-CB 4.23Å; W31-P52 HydrophobicContact CZ2-CB 4.1Å; W31-P52 HydrophobicContact CZ2-CG 4.44Å; W31-P52 HydrophobicContact CZ3-CB 4.12Å; W31-A55 HydrophobicContact CB-CB 4Å
32V91.5Very high87.2Confident10 Ų1086.7 Ų86.76%0.06141%0.412CS..EExtended strand (participates in β ladder)trans-118.7135.4179.7-178.40000108.5R24R24-V32 HydrophobicContact CG-CB 4.03Å; R24-V32 PolarHBondContact N-O 2.86Å; R24-V32 VanDerWaalsContact N-O 3.08Å; R24-V32 PolarHBondContact O-N 3.36Å
33S92.4Very high87.4Confident0 Ų091.9 Ų91.90%042%0.421CS..EExtended strand (participates in β ladder)trans-112.8127.9173.4-164.70000109.7L46 G47 A55 H59S33-L46 WeakPolarHBondContact O-CB 3.18Å; S33-L46 PolarHBondContact O-N 3.46Å; S33-G47 PolarHBondContact N-O 3.4Å; S33-G47 VanDerWaalsContact N-O 3.08Å; S33-G47 PolarHBondContact O-N 3.06Å; S33-A55 VanDerWaalsContact CB-O 3.26Å; S33-A55 WeakPolarHBondContact CB-O 3.34Å; S33-A55 PolarHBondContact OG-O 2.88Å; S33-H59 WeakPolarHBondContact OG-CB 3.46Å; S33-H59 PolarHBondContact OG-N 3.36Å
34E90.8Very high87.4Confident63 Ų6391.2 Ų91.229%0.29442%0.417SS..EExtended strand (participates in β ladder)trans-142.1153.1177.160.9-176.2-119.400109.8R24 L44 H59R24-E34 IonicContact CZ-OE2 3.65Å; R24-E34 IonicContact NE-OE2 2.65Å; R24-E34 PolarHBondContact NE-OE2 2.88Å; R24-E34 IonicContact NH2-OE2 3.06Å; R24-E34 PolarHBondContact NH2-OE2 3.41Å; E34-L44 WeakPolarHBondContact CA-O 3.26Å; E34-H59 PolarHBondContact O-ND1 2.91Å
35I89.1Confident87.5Confident13 Ų1393.3 Ų93.37%0.06743%0.425CS..EExtended strand (participates in β ladder)trans-138.1146.2-179-169.6160.7000111.2L44 L46 A62 V63 L66I35-L44 HydrophobicContact CG2-CB 3.81Å; I35-L44 HydrophobicContact CG2-CD1 4.29Å; I35-L44 PolarHBondContact N-O 2.98Å; I35-L44 PolarHBondContact O-N 3.24Å; I35-L46 HydrophobicContact CB-CD1 4.29Å; I35-L46 HydrophobicContact CG2-CD1 4.09Å; I35-L46 HydrophobicContact CG2-CD2 3.87Å; I35-L46 HydrophobicContact CG2-CG 4.13Å; I35-A62 HydrophobicContact CD1-CB 3.76Å; I35-A62 HydrophobicContact CG2-CB 4Å; I35-V63 HydrophobicContact CD1-CB 4.18Å; I35-V63 HydrophobicContact CD1-CG2 3.4Å; I35-V63 VanDerWaalsContact CD1-CG2 3.4Å; I35-L66 HydrophobicContact CD1-CD1 3.61Å; I35-L66 HydrophobicContact CG1-CD1 3.9Å; I35-L66 HydrophobicContact CG2-CD1 4.12Å
36R88.1Confident87.8Confident172 Ų17290 Ų9065%0.64941%0.413SS*.EExtended strand (participates in β ladder)trans-94.3128.9169.6-64.4-171.4-175.6-177.87.9108.9R43R36-R43 HydrophobicContact CG-CG 4.39Å; R36-R43 VanDerWaalsContact CZ-NH2 3.33Å
37V84.1Confident88Confident17 Ų1783.9 Ų83.910%0.10339%0.393CS..PPolyproline II helixtrans-75.9124.3178.5176.40000109G39 S40 E42 L44 L66V37-G39 PolarHBondContact O-N 2.84Å; V37-S40 PolarHBondContact O-N 3.08Å; V37-E42 PolarHBondContact N-O 2.78Å; V37-L44 HydrophobicContact CG2-CD1 3.48Å; V37-L44 VanDerWaalsContact CG2-CD1 3.48Å; V37-L44 HydrophobicContact CG2-CG 3.71Å; V37-L66 HydrophobicContact CG1-CD2 4.16Å; V37-L66 HydrophobicContact CG2-CD1 4.15Å; V37-L66 HydrophobicContact CG2-CD2 4.12Å
38P81Confident88.3Confident89 Ų8975.5 Ų75.558%0.57837%0.37SS*.THydrogen-bonded Turntrans-63.5130.1175.827.1-33000109.6S40P38-S40 VanDerWaalsContact C-N 3.33Å
39G81.7Confident88.8Confident95 Ų9565.5 Ų65.598%0.97933%0.333SS*.THydrogen-bonded Turntrans84.7-4.3-177.600000115.5V37V37-G39 PolarHBondContact O-N 2.84Å
40S84.9Confident89Confident59 Ų5966.1 Ų66.141%0.41334%0.335SS..SBendtrans-122.5154172.6179.30000110.9V37 P38 E42V37-S40 PolarHBondContact O-N 3.08Å; P38-S40 VanDerWaalsContact C-N 3.33Å; S40-E42 VanDerWaalsContact OG-CB 3.23Å; S40-E42 WeakPolarHBondContact OG-CB 3.49Å; S40-E42 PolarHBondContact OG-N 3.22Å
41R86Confident89Confident249 Ų24962 Ų6294%0.9432%0.317SS*.SBendtrans-80-6.2169.1-170170.3174.3150-1.6112
42E88.2Confident89Confident98 Ų9861.1 Ų61.146%0.45831%0.314SS..  trans-70.2142.1-177.7-168.8176.5-176.500112.5V37 S40 L44V37-E42 PolarHBondContact N-O 2.78Å; S40-E42 VanDerWaalsContact OG-CB 3.23Å; S40-E42 WeakPolarHBondContact OG-CB 3.49Å; S40-E42 PolarHBondContact OG-N 3.22Å; E42-L44 HydrophobicContact CG-CD2 4.43Å
43R90.2Very high89Confident143 Ų14362.6 Ų62.654%0.5432%0.32SS..EExtended strand (participates in β ladder)trans-113.4125.8173.1-62.8179-179.4-120.55.9108.3R36R36-R43 HydrophobicContact CG-CG 4.39Å; R36-R43 VanDerWaalsContact CZ-NH2 3.33Å
44L88.8Confident88.9Confident5 Ų562.6 Ų62.63%0.02632%0.32CS..EExtended strand (participates in β ladder)trans-96.5120175.8-60.2173.7000108.9E34 I35 V37 E42 L46 P96E34-L44 WeakPolarHBondContact CA-O 3.26Å; I35-L44 HydrophobicContact CG2-CB 3.81Å; I35-L44 HydrophobicContact CG2-CD1 4.29Å; I35-L44 PolarHBondContact N-O 2.98Å; I35-L44 PolarHBondContact O-N 3.24Å; V37-L44 HydrophobicContact CG2-CD1 3.48Å; V37-L44 VanDerWaalsContact CG2-CD1 3.48Å; V37-L44 HydrophobicContact CG2-CG 3.71Å; E42-L44 HydrophobicContact CG-CD2 4.43Å; L44-L46 HydrophobicContact CB-CD2 4.31Å; L44-P96 HydrophobicContact CD1-CB 3.98Å; L44-P96 WeakPolarHBondContact CD1-O 3.36Å; L44-P96 HydrophobicContact CD2-CB 4.2Å
45W91.7Very high89Confident149 Ų14959.6 Ų59.656%0.56431%0.306SS*.EExtended strand (participates in β ladder)trans-82.8112.4169.3175.848.7000108.9G47 Q100W45-G47 PolarHBondContact NE1-O 3.39Å; W45-Q100 PolarHBondContact O-NE2 3.08Å
46L91.6Very high89.2Confident2 Ų259 Ų591%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-84.3-30.7-174.7-54.7177.8000111.7S33 I35 L44 Y49 A58 A62 Q100 A103 S104S33-L46 WeakPolarHBondContact O-CB 3.18Å; S33-L46 PolarHBondContact O-N 3.46Å; I35-L46 HydrophobicContact CB-CD1 4.29Å; I35-L46 HydrophobicContact CG2-CD1 4.09Å; I35-L46 HydrophobicContact CG2-CD2 3.87Å; I35-L46 HydrophobicContact CG2-CG 4.13Å; L44-L46 HydrophobicContact CB-CD2 4.31Å; L46-Y49 PolarHBondContact O-OH 3.36Å; L46-A58 HydrophobicContact CB-CB 4.42Å; L46-A58 WeakPolarHBondContact CD1-O 3.43Å; L46-A62 HydrophobicContact CD1-CB 3.55Å; L46-A62 HydrophobicContact CD2-CB 3.83Å; L46-A62 HydrophobicContact CG-CB 4.34Å; L46-Q100 HydrophobicContact CD2-CG 4.48Å; L46-A103 HydrophobicContact CD1-CB 4.35Å; L46-A103 HydrophobicContact CD2-CB 3.91Å; L46-S104 WeakPolarHBondContact O-CB 3.22Å; L46-S104 PolarHBondContact O-OG 3.11Å
47G92.7Very high89.3Confident11 Ų1151.1 Ų51.111%0.11327%0.274CS..EExtended strand (participates in β ladder)trans153.5-175.2175.500000113.5S33 W45S33-G47 PolarHBondContact N-O 3.4Å; S33-G47 VanDerWaalsContact N-O 3.08Å; S33-G47 PolarHBondContact O-N 3.06Å; W45-G47 PolarHBondContact NE1-O 3.39Å
48S93.3Very high89.7Confident60 Ų6050.3 Ų50.342%0.4227%0.27SS..EExtended strand (participates in β ladder)trans-127.3131171.760.70000110W31W31-S48 CarbonylContact O-C 3.57Å; W31-S48 WeakPolarHBondContact O-CA 3.44Å
49Y92.5Very high90.1Very high2 Ų247.3 Ų47.31%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-123.3156.1-170.1-53-79.1000110.7W31 L46 T51 A54 A55 A58 M108 D111W31-Y49 PolarHBondContact N-O 2.89Å; W31-Y49 PolarHBondContact O-N 2.79Å; L46-Y49 PolarHBondContact O-OH 3.36Å; Y49-T51 VanDerWaalsContact C-N 3.34Å; Y49-A54 HydrophobicContact CD1-CB 4.18Å; Y49-A54 HydrophobicContact CG-CB 4.12Å; Y49-A55 VanDerWaalsContact CD2-CA 3.41Å; Y49-A55 HydrophobicContact CD2-CB 3.62Å; Y49-A55 HydrophobicContact CE2-CB 4.38Å; Y49-A55 HydrophobicContact CG-CB 4.34Å; Y49-A58 HydrophobicContact CE2-CB 3.69Å; Y49-A58 WeakPolarHBondContact OH-CB 3.47Å; Y49-M108 HydrophobicContact CD1-SD 4.21Å; Y49-M108 HydrophobicContact CE1-CG 4.1Å; Y49-M108 HydrophobicContact CE1-SD 4.05Å; Y49-D111 HydrophobicContact CD1-CB 4.33Å
50A90.2Very high90.5Very high41 Ų4142.8 Ų42.834%0.33920%0.201SC..SBendtrans-76.6-28.1174.300000111.6W31 D111 V115W31-A50 VanDerWaalsContact CD1-O 3.26Å; A50-D111 WeakPolarHBondContact CB-OD2 3.3Å; A50-D111 PolarHBondContact N-OD1 3.39Å; A50-D111 PolarHBondContact N-OD2 2.91Å; A50-V115 HydrophobicContact CB-CG2 4.27Å
51T90Very high90.6Very high4 Ų440 Ų403%0.02518%0.182CC..SBendtrans-112.4142.7-178.360.80000112Y49 E53 A54 A55 D111 L114 V115Y49-T51 VanDerWaalsContact C-N 3.34Å; T51-E53 VanDerWaalsContact C-N 3.28Å; T51-E53 WeakPolarHBondContact CB-OE2 3.3Å; T51-A54 WeakPolarHBondContact OG1-CB 3.36Å; T51-A54 PolarHBondContact OG1-N 3.08Å; T51-A55 PolarHBondContact O-N 3.43Å; T51-D111 WeakPolarHBondContact CB-OD1 3.41Å; T51-D111 PolarHBondContact N-OD1 3.41Å; T51-D111 PolarHBondContact OG1-OD1 3.31Å; T51-L114 HydrophobicContact CG2-CB 4.07Å; T51-L114 HydrophobicContact CG2-CD1 4.48Å; T51-V115 HydrophobicContact CG2-CG2 4.41Å
52P90.6Very high90.8Very high2 Ų228.1 Ų28.11%0.01314%0.137CC..Hα-helixtrans-66.3-33.6174.533.6-42.4000111.1M17 Y20 V23 W31 A55 A56M17-P52 HydrophobicContact CB-CB 3.85Å; M17-P52 HydrophobicContact CB-CG 4.21Å; M17-P52 HydrophobicContact CE-CG 3.91Å; M17-P52 HydrophobicContact CG-CB 3.76Å; M17-P52 HydrophobicContact CG-CG 3.54Å; M17-P52 HydrophobicContact SD-CB 3.92Å; M17-P52 HydrophobicContact SD-CG 3.42Å; M17-P52 WeakPolarHBondContact SD-CG 3.37Å; Y20-P52 HydrophobicContact CD2-CB 4.29Å; V23-P52 HydrophobicContact CG1-CB 4.46Å; W31-P52 HydrophobicContact CD2-CB 3.71Å; W31-P52 HydrophobicContact CE3-CB 3.89Å; W31-P52 HydrophobicContact CG-CB 4.19Å; W31-P52 HydrophobicContact CH2-CB 4.23Å; W31-P52 HydrophobicContact CZ2-CB 4.1Å; W31-P52 HydrophobicContact CZ2-CG 4.44Å; W31-P52 HydrophobicContact CZ3-CB 4.12Å; P52-A55 WeakPolarHBondContact O-CB 3.08Å; P52-A55 PolarHBondContact O-N 3.37Å; P52-A56 WeakPolarHBondContact O-CB 3.49Å; P52-A56 PolarHBondContact O-N 3.22Å
53E90.5Very high90.7Very high40 Ų4024.3 Ų24.319%0.18712%0.12CC..Hα-helixtrans-67.9-39.9-178.1-58.785.7-178.800109.9Y20 T51 A56 V57 F80 L114 R118Y20-E53 HydrophobicContact CE2-CG 4.5Å; T51-E53 VanDerWaalsContact C-N 3.28Å; T51-E53 WeakPolarHBondContact CB-OE2 3.3Å; E53-A56 PolarHBondContact O-N 2.91Å; E53-V57 VanDerWaalsContact O-CG2 3.22Å; E53-V57 WeakPolarHBondContact O-CG2 3.2Å; E53-V57 PolarHBondContact O-N 2.64Å; E53-F80 HydrophobicContact CB-CZ 4.31Å; E53-L114 HydrophobicContact CB-CD1 3.71Å; E53-R118 IonicContact OE2-NH2 3.71Å
54A91.5Very high90.3Very high0 Ų020 Ų200%010%0.104CC..Hα-helixtrans-62.5-41172.100000112.7Y49 T51 A56 V57 A58 G107 A110 D111Y49-A54 HydrophobicContact CD1-CB 4.18Å; Y49-A54 HydrophobicContact CG-CB 4.12Å; T51-A54 WeakPolarHBondContact OG1-CB 3.36Å; T51-A54 PolarHBondContact OG1-N 3.08Å; A54-A56 VanDerWaalsContact C-N 3.32Å; A54-A56 PolarHBondContact O-N 3.41Å; A54-V57 PolarHBondContact O-N 3.22Å; A54-A58 PolarHBondContact O-N 3.16Å; A54-G107 WeakPolarHBondContact CB-O 3.22Å; A54-A110 HydrophobicContact CB-CB 4.17Å; A54-D111 HydrophobicContact CB-CB 3.61Å
55A92.8Very high90Very high0 Ų020.4 Ų20.40%011%0.106CC..Hα-helixtrans-63-39.6175.800000112.1V23 W31 S33 Y49 T51 P52 A58 H59V23-A55 HydrophobicContact CB-CB 4.41Å; V23-A55 HydrophobicContact CG1-CB 3.81Å; V23-A55 HydrophobicContact CG2-CB 3.79Å; W31-A55 HydrophobicContact CB-CB 4Å; S33-A55 VanDerWaalsContact CB-O 3.26Å; S33-A55 WeakPolarHBondContact CB-O 3.34Å; S33-A55 PolarHBondContact OG-O 2.88Å; Y49-A55 VanDerWaalsContact CD2-CA 3.41Å; Y49-A55 HydrophobicContact CD2-CB 3.62Å; Y49-A55 HydrophobicContact CE2-CB 4.38Å; Y49-A55 HydrophobicContact CG-CB 4.34Å; T51-A55 PolarHBondContact O-N 3.43Å; P52-A55 WeakPolarHBondContact O-CB 3.08Å; P52-A55 PolarHBondContact O-N 3.37Å; A55-A58 PolarHBondContact O-N 2.97Å; A55-H59 PolarHBondContact O-N 3.26Å
56A91.6Very high89.5Confident0 Ų014.8 Ų14.80%09%0.086CC..Hα-helixtrans-68.3-39.9176.400000111.6Y20 V23 P52 E53 A54 A58 H59 D60 N79 F80Y20-A56 HydrophobicContact CD1-CB 3.99Å; Y20-A56 HydrophobicContact CG-CB 3.94Å; V23-A56 HydrophobicContact CG2-CB 3.77Å; V23-A56 VanDerWaalsContact CG2-N 3.34Å; P52-A56 WeakPolarHBondContact O-CB 3.49Å; P52-A56 PolarHBondContact O-N 3.22Å; E53-A56 PolarHBondContact O-N 2.91Å; A54-A56 VanDerWaalsContact C-N 3.32Å; A54-A56 PolarHBondContact O-N 3.41Å; A56-A58 PolarHBondContact O-N 3.4Å; A56-H59 WeakPolarHBondContact O-CB 3.29Å; A56-H59 PolarHBondContact O-N 2.9Å; A56-D60 PolarHBondContact O-N 3.49Å; A56-N79 HydrophobicContact CB-CB 4.31Å; A56-F80 HydrophobicContact CB-CD2 4.38Å; A56-F80 HydrophobicContact CB-CE2 3.5Å; A56-F80 VanDerWaalsContact CB-CE2 3.5Å; A56-F80 HydrophobicContact CB-CZ 4.18Å
57V90.8Very high88.9Confident8 Ų820.5 Ų20.55%0.04811%0.108CC..Hα-helixtrans-59.9-46.4172.6170.90000111.1E53 A54 H59 D60 T61 F80 Y88 A106 A110E53-V57 VanDerWaalsContact O-CG2 3.22Å; E53-V57 WeakPolarHBondContact O-CG2 3.2Å; E53-V57 PolarHBondContact O-N 2.64Å; A54-V57 PolarHBondContact O-N 3.22Å; V57-H59 VanDerWaalsContact C-N 3.27Å; V57-H59 PolarHBondContact O-N 3.49Å; V57-D60 PolarHBondContact O-N 2.91Å; V57-T61 WeakPolarHBondContact O-CB 3.44Å; V57-T61 PolarHBondContact O-N 2.73Å; V57-T61 PolarHBondContact O-OG1 3.4Å; V57-F80 HydrophobicContact CG2-CD2 4.01Å; V57-F80 HydrophobicContact CG2-CE2 3.99Å; V57-Y88 PolarHBondContact O-OH 2.79Å; V57-Y88 VanDerWaalsContact O-OH 3.11Å; V57-A106 HydrophobicContact CG1-CB 4.41Å; V57-A110 HydrophobicContact CB-CB 4.28Å; V57-A110 HydrophobicContact CG1-CB 4.19Å; V57-A110 HydrophobicContact CG2-CB 4.23Å
58A92Very high87.5Confident0 Ų021.5 Ų21.50%012%0.119CC..Hα-helixtrans-58.1-43.4176.100000111.2L46 Y49 A54 A55 A56 T61 A62 A103L46-A58 HydrophobicContact CB-CB 4.42Å; L46-A58 WeakPolarHBondContact CD1-O 3.43Å; Y49-A58 HydrophobicContact CE2-CB 3.69Å; Y49-A58 WeakPolarHBondContact OH-CB 3.47Å; A54-A58 PolarHBondContact O-N 3.16Å; A55-A58 PolarHBondContact O-N 2.97Å; A56-A58 PolarHBondContact O-N 3.4Å; A58-T61 WeakPolarHBondContact O-CB 3.28Å; A58-T61 PolarHBondContact O-N 3.19Å; A58-A62 PolarHBondContact O-N 2.81Å; A58-A103 WeakPolarHBondContact CB-O 3.47Å; A58-A103 WeakPolarHBondContact O-CB 3.25Å
59H91.1Very high85.8Confident25 Ų2518.9 Ų18.912%0.11610%0.101CC..Hα-helixtrans-62.2-49.7177.7-168.775.3000111.8K21 S33 E34 A55 A56 V57 T61 A62 V63K21-H59 PolarHBondContact O-CD2 3.21Å; K21-H59 VanDerWaalsContact O-CD2 3.28Å; S33-H59 WeakPolarHBondContact OG-CB 3.46Å; S33-H59 PolarHBondContact OG-N 3.36Å; E34-H59 PolarHBondContact O-ND1 2.91Å; A55-H59 PolarHBondContact O-N 3.26Å; A56-H59 WeakPolarHBondContact O-CB 3.29Å; A56-H59 PolarHBondContact O-N 2.9Å; V57-H59 VanDerWaalsContact C-N 3.27Å; V57-H59 PolarHBondContact O-N 3.49Å; H59-T61 VanDerWaalsContact C-N 3.29Å; H59-T61 PolarHBondContact O-N 3.45Å; H59-A62 PolarHBondContact O-N 2.82Å; H59-A62 VanDerWaalsContact O-N 3.08Å; H59-V63 WeakPolarHBondContact O-CG2 3.32Å; H59-V63 PolarHBondContact O-N 3.21Å
60D89.1Confident83.8Confident1 Ų122 Ų221%0.00513%0.134CC..Hα-helixtrans-60.6-41.1-179.2-72.5-5.2000111.5A56 V57 A62 V63 Y64 L78 N79 F80 Y88A56-D60 PolarHBondContact O-N 3.49Å; V57-D60 PolarHBondContact O-N 2.91Å; D60-A62 VanDerWaalsContact C-N 3.32Å; D60-A62 PolarHBondContact O-N 2.99Å; D60-V63 PolarHBondContact O-N 3.28Å; D60-Y64 VanDerWaalsContact O-CB 3.3Å; D60-Y64 WeakPolarHBondContact O-CB 3.46Å; D60-Y64 PolarHBondContact O-N 2.85Å; D60-L78 HydrophobicContact CB-CB 4.39Å; D60-L78 HydrophobicContact CB-CD2 4.15Å; D60-N79 VanDerWaalsContact CG-N 3.33Å; D60-N79 PolarHBondContact OD1-N 2.86Å; D60-N79 PolarHBondContact OD1-ND2 3.3Å; D60-N79 WeakPolarHBondContact OD2-CA 3.46Å; D60-N79 WeakPolarHBondContact OD2-CB 3.49Å; D60-N79 PolarHBondContact OD2-N 3.46Å; D60-F80 WeakPolarHBondContact OD2-CD2 3.48Å; D60-F80 PolarHBondContact OD2-N 2.9Å; D60-Y88 HydrophobicContact CB-CE2 4.45Å
61T88Confident81.8Confident0 Ų023 Ų230%015%0.147CC..Hα-helixtrans-56.2-49173.8-48.30000110.4V57 A58 H59 Y64 F65 Y88 V102 A103 A106V57-T61 WeakPolarHBondContact O-CB 3.44Å; V57-T61 PolarHBondContact O-N 2.73Å; V57-T61 PolarHBondContact O-OG1 3.4Å; A58-T61 WeakPolarHBondContact O-CB 3.28Å; A58-T61 PolarHBondContact O-N 3.19Å; H59-T61 VanDerWaalsContact C-N 3.29Å; H59-T61 PolarHBondContact O-N 3.45Å; T61-Y64 PolarHBondContact O-N 3.1Å; T61-F65 HydrophobicContact CG2-CD2 3.86Å; T61-F65 HydrophobicContact CG2-CE2 3.55Å; T61-F65 WeakPolarHBondContact O-CD2 3.08Å; T61-F65 PolarHBondContact O-N 3.45Å; T61-Y88 VanDerWaalsContact CA-CE1 3.45Å; T61-Y88 WeakPolarHBondContact CA-OH 3.18Å; T61-Y88 VanDerWaalsContact CB-CE1 3.4Å; T61-Y88 HydrophobicContact CG2-CD1 3.78Å; T61-Y88 HydrophobicContact CG2-CE1 3.38Å; T61-Y88 PolarHBondContact N-OH 3.4Å; T61-Y88 VanDerWaalsContact N-OH 3.09Å; T61-Y88 WeakPolarHBondContact OG1-CE1 3.37Å; T61-Y88 PolarHBondContact OG1-OH 3.11Å; T61-V102 HydrophobicContact CG2-CG1 3.98Å; T61-A103 HydrophobicContact CG2-CB 4.12Å; T61-A106 HydrophobicContact CG2-CB 4.13Å
62A88.8Confident79.8Confident0 Ų027.8 Ų27.80%019%0.188CC..Hα-helixtrans-66.9-44.4-178.400000112I35 L46 A58 H59 D60 Y64 F65 L66 V99 A103I35-A62 HydrophobicContact CD1-CB 3.76Å; I35-A62 HydrophobicContact CG2-CB 4Å; L46-A62 HydrophobicContact CD1-CB 3.55Å; L46-A62 HydrophobicContact CD2-CB 3.83Å; L46-A62 HydrophobicContact CG-CB 4.34Å; A58-A62 PolarHBondContact O-N 2.81Å; H59-A62 PolarHBondContact O-N 2.82Å; H59-A62 VanDerWaalsContact O-N 3.08Å; D60-A62 VanDerWaalsContact C-N 3.32Å; D60-A62 PolarHBondContact O-N 2.99Å; A62-Y64 VanDerWaalsContact C-N 3.29Å; A62-Y64 PolarHBondContact O-N 3.02Å; A62-F65 PolarHBondContact O-N 3.35Å; A62-L66 WeakPolarHBondContact O-CB 3.47Å; A62-L66 VanDerWaalsContact O-CG 3.23Å; A62-L66 WeakPolarHBondContact O-CG 3.38Å; A62-L66 PolarHBondContact O-N 2.8Å; A62-V99 HydrophobicContact CB-CG1 3.82Å; A62-A103 HydrophobicContact CB-CB 3.89Å
63V85.9Confident78Confident17 Ų1729.4 Ų29.410%0.10321%0.205CC..Hα-helixtrans-58.3-44.6176.5175.40000110.5I35 H59 D60 F65 L66 R67 L78I35-V63 HydrophobicContact CD1-CB 4.18Å; I35-V63 HydrophobicContact CD1-CG2 3.4Å; I35-V63 VanDerWaalsContact CD1-CG2 3.4Å; H59-V63 WeakPolarHBondContact O-CG2 3.32Å; H59-V63 PolarHBondContact O-N 3.21Å; D60-V63 PolarHBondContact O-N 3.28Å; V63-F65 PolarHBondContact O-N 2.77Å; V63-L66 PolarHBondContact O-N 2.68Å; V63-R67 HydrophobicContact CG1-CG 4.3Å; V63-R67 WeakPolarHBondContact O-CB 3.48Å; V63-R67 WeakPolarHBondContact O-CG 3.43Å; V63-R67 PolarHBondContact O-N 3.48Å; V63-L78 HydrophobicContact CB-CD2 3.73Å; V63-L78 HydrophobicContact CG1-CD2 3.64Å
64Y82.7Confident76.5Confident54 Ų5432.3 Ų32.321%0.21222%0.221CC..Hα-helixtrans-58.2-49.9-179.5-179.8-90.2000111.9D60 T61 A62 G69 Y88D60-Y64 VanDerWaalsContact O-CB 3.3Å; D60-Y64 WeakPolarHBondContact O-CB 3.46Å; D60-Y64 PolarHBondContact O-N 2.85Å; T61-Y64 PolarHBondContact O-N 3.1Å; A62-Y64 VanDerWaalsContact C-N 3.29Å; A62-Y64 PolarHBondContact O-N 3.02Å; Y64-G69 PolarHBondContact O-N 3.23Å; Y64-G69 PolarHBondContact OH-O 3.31Å; Y64-Y88 HydrophobicContact CD1-CD2 4.13Å; Y64-Y88 AromaticContact CD1-CG 3.89Å; Y64-Y88 HydrophobicContact CD1-CG 3.89Å; Y64-Y88 HydrophobicContact CD2-CD2 4.02Å; Y64-Y88 HydrophobicContact CE1-CG 4.36Å; Y64-Y88 VanDerWaalsContact CE1-O 3.28Å; Y64-Y88 WeakPolarHBondContact CE1-O 3.44Å; Y64-Y88 AromaticContact CG-CD2 3.73Å; Y64-Y88 HydrophobicContact CG-CD2 3.73Å; Y64-Y88 AromaticContact CG-CG 4Å; Y64-Y88 HydrophobicContact CG-CG 4Å
65F82.3Confident75.1Confident13 Ų1335.1 Ų35.16%0.05724%0.239CC..Hα-helixtrans-72.8-36.2-179.8-68.9-65.5000113.3T61 A62 V63 R67 G68 Y88 L94 V99 V102T61-F65 HydrophobicContact CG2-CD2 3.86Å; T61-F65 HydrophobicContact CG2-CE2 3.55Å; T61-F65 WeakPolarHBondContact O-CD2 3.08Å; T61-F65 PolarHBondContact O-N 3.45Å; A62-F65 PolarHBondContact O-N 3.35Å; V63-F65 PolarHBondContact O-N 2.77Å; F65-R67 VanDerWaalsContact C-N 3.29Å; F65-R67 PolarHBondContact O-N 2.98Å; F65-G68 PolarHBondContact O-N 3.22Å; F65-Y88 HydrophobicContact CE2-CD1 4.22Å; F65-L94 HydrophobicContact CB-CD1 4.45Å; F65-L94 HydrophobicContact CD1-CD1 3.69Å; F65-L94 HydrophobicContact CD1-CG 4.12Å; F65-L94 HydrophobicContact CD2-CD1 4.34Å; F65-L94 HydrophobicContact CE1-CD1 3.97Å; F65-L94 HydrophobicContact CG-CD1 3.92Å; F65-L94 HydrophobicContact CZ-CD1 4.42Å; F65-V99 HydrophobicContact CB-CB 4.35Å; F65-V99 HydrophobicContact CB-CG1 4Å; F65-V99 HydrophobicContact CB-CG2 3.53Å; F65-V99 HydrophobicContact CG-CG2 4.49Å; F65-V102 HydrophobicContact CD2-CG1 4.28Å; F65-V102 HydrophobicContact CE2-CB 4.25Å; F65-V102 HydrophobicContact CE2-CG1 3.47Å; F65-V102 VanDerWaalsContact CE2-CG1 3.47Å; F65-V102 HydrophobicContact CZ-CG1 4.01Å
66L81.6Confident73.6Confident30 Ų3039.8 Ų39.816%0.15728%0.277CS..Hα-helixtrans-66.4-30.8178-72177.7000112.8I35 V37 A62 V63 G68 V99I35-L66 HydrophobicContact CD1-CD1 3.61Å; I35-L66 HydrophobicContact CG1-CD1 3.9Å; I35-L66 HydrophobicContact CG2-CD1 4.12Å; V37-L66 HydrophobicContact CG1-CD2 4.16Å; V37-L66 HydrophobicContact CG2-CD1 4.15Å; V37-L66 HydrophobicContact CG2-CD2 4.12Å; A62-L66 WeakPolarHBondContact O-CB 3.47Å; A62-L66 VanDerWaalsContact O-CG 3.23Å; A62-L66 WeakPolarHBondContact O-CG 3.38Å; A62-L66 PolarHBondContact O-N 2.8Å; V63-L66 PolarHBondContact O-N 2.68Å; L66-G68 VanDerWaalsContact C-N 3.26Å; L66-G68 PolarHBondContact O-N 3.13Å; L66-V99 HydrophobicContact CD2-CB 4.47Å; L66-V99 HydrophobicContact CD2-CG1 4.39Å; L66-V99 HydrophobicContact CD2-CG2 4.2Å; L66-V99 HydrophobicContact CG-CG1 4.15Å
67R77.9Confident72.5Confident122 Ų12241.1 Ų41.146%0.4629%0.288SS..THydrogen-bonded Turntrans-81.3-1.3177.2-70.6-179.2177.9-144.8-2.2113.9V63 F65 D74V63-R67 HydrophobicContact CG1-CG 4.3Å; V63-R67 WeakPolarHBondContact O-CB 3.48Å; V63-R67 WeakPolarHBondContact O-CG 3.43Å; V63-R67 PolarHBondContact O-N 3.48Å; F65-R67 VanDerWaalsContact C-N 3.29Å; F65-R67 PolarHBondContact O-N 2.98Å; R67-D74 IonicContact CZ-OD2 2.97Å; R67-D74 IonicContact NH1-OD2 3.48Å; R67-D74 PolarHBondContact NH1-OD2 2.75Å
68G65.2Low71.9Confident33 Ų3341.4 Ų41.434%0.3429%0.289SS..THydrogen-bonded Turntrans106.619.6171.600000116.2F65 L66 G70F65-G68 PolarHBondContact O-N 3.22Å; L66-G68 VanDerWaalsContact C-N 3.26Å; L66-G68 PolarHBondContact O-N 3.13Å; G68-G70 PolarHBondContact O-N 3.19Å
69G56.2Low71.4Confident5 Ų542.8 Ų42.85%0.05230%0.296CS..SBendtrans61.13.7151.500000119.9Y64Y64-G69 PolarHBondContact O-N 3.23Å; Y64-G69 PolarHBondContact OH-O 3.31Å
70G51.7Low70.9Confident68 Ų6842.8 Ų42.870%0.70130%0.296SS*.SBendtrans-169.16.4-173.700000118.1G68G68-G70 PolarHBondContact O-N 3.19Å
71G48Very low70.1Confident60 Ų6045.5 Ų45.562%0.61931%0.314SS*.SBendtrans-143.195.8178.700000111.3G73G71-G73 PolarHBondContact O-N 3.05Å
72A47.6Very low69.4Low105 Ų10551.3 Ų51.387%0.86834%0.341SS*.  trans34.230.5160.700000118.1D74A72-D74 PolarHBondContact O-N 3.37Å
73G52.2Low68.3Low36 Ų3655.3 Ų55.337%0.37136%0.356SS..  trans-68.6134.2175.900000107.7G71 V75G71-G73 PolarHBondContact O-N 3.05Å; G73-V75 VanDerWaalsContact C-N 3.31Å; G73-V75 WeakPolarHBondContact O-CG2 3.43Å; G73-V75 PolarHBondContact O-N 3.45Å
74D58.8Low67.3Low101 Ų10154.7 Ų54.754%0.5435%0.353SS..  trans-35.887.6-165.8-44.1-55.7000113.5R67 A72 A76 A77R67-D74 IonicContact CZ-OD2 2.97Å; R67-D74 IonicContact NH1-OD2 3.48Å; R67-D74 PolarHBondContact NH1-OD2 2.75Å; A72-D74 PolarHBondContact O-N 3.37Å; D74-A76 PolarHBondContact O-N 3.49Å; D74-A76 VanDerWaalsContact O-N 3.13Å; D74-A77 HydrophobicContact CB-CB 3.9Å; D74-A77 WeakPolarHBondContact O-CB 2.98Å; D74-A77 PolarHBondContact O-N 2.96Å
75V63.8Low66.2Low60 Ų6056.5 Ų56.536%0.36438%0.379SS..G310 helixtrans-61.1-25.8173.8-173.50000108.3G73 A77 L78 P81 A84G73-V75 VanDerWaalsContact C-N 3.31Å; G73-V75 WeakPolarHBondContact O-CG2 3.43Å; G73-V75 PolarHBondContact O-N 3.45Å; V75-A77 PolarHBondContact O-N 3.33Å; V75-L78 HydrophobicContact CG1-CD1 4.23Å; V75-L78 WeakPolarHBondContact O-CB 3.42Å; V75-L78 PolarHBondContact O-N 2.89Å; V75-L78 VanDerWaalsContact O-N 3.1Å; V75-P81 HydrophobicContact CG1-CB 3.68Å; V75-A84 HydrophobicContact CG1-CB 4.31Å
76A59.5Low65.1Low97 Ų9760 Ų6080%0.80241%0.411SS*.G310 helixtrans-59.4-20169.100000115D74D74-A76 PolarHBondContact O-N 3.49Å; D74-A76 VanDerWaalsContact O-N 3.13Å
77A68.9Low64Low28 Ų2861.9 Ų61.923%0.23143%0.43CS..G310 helixtrans-87.8-8.2176.400000113.2K21 D74 V75K21-A77 WeakPolarHBondContact CD-O 3.17Å; K21-A77 WeakPolarHBondContact CE-O 3.37Å; D74-A77 HydrophobicContact CB-CB 3.9Å; D74-A77 WeakPolarHBondContact O-CB 2.98Å; D74-A77 PolarHBondContact O-N 2.96Å; V75-A77 PolarHBondContact O-N 3.33Å
78L78.8Confident63.2Low14 Ų1456.6 Ų56.67%0.07341%0.41CS..SBendtrans-83.9160.8177.8-55-179.5000111.1D60 V63 V75 A84D60-L78 HydrophobicContact CB-CB 4.39Å; D60-L78 HydrophobicContact CB-CD2 4.15Å; V63-L78 HydrophobicContact CB-CD2 3.73Å; V63-L78 HydrophobicContact CG1-CD2 3.64Å; V75-L78 HydrophobicContact CG1-CD1 4.23Å; V75-L78 WeakPolarHBondContact O-CB 3.42Å; V75-L78 PolarHBondContact O-N 2.89Å; V75-L78 VanDerWaalsContact O-N 3.1Å; L78-A84 HydrophobicContact CD1-CB 3.44Å; L78-A84 VanDerWaalsContact CD1-CB 3.44Å
79N80.8Confident62.6Low29 Ų2958.2 Ų58.216%0.15543%0.427CS..SBendtrans-77.7-36.6174.6-61.3-74.6000112Y20 K21 A56 D60 P81Y20-N79 WeakPolarHBondContact CA-OD1 3.3Å; Y20-N79 HydrophobicContact CD1-CB 3.95Å; K21-N79 PolarHBondContact N-OD1 2.99Å; K21-N79 PolarHBondContact O-ND2 2.75Å; A56-N79 HydrophobicContact CB-CB 4.31Å; D60-N79 VanDerWaalsContact CG-N 3.33Å; D60-N79 PolarHBondContact OD1-N 2.86Å; D60-N79 PolarHBondContact OD1-ND2 3.3Å; D60-N79 WeakPolarHBondContact OD2-CA 3.46Å; D60-N79 WeakPolarHBondContact OD2-CB 3.49Å; D60-N79 PolarHBondContact OD2-N 3.46Å; N79-P81 WeakPolarHBondContact O-CD 3.36Å
80F80.9Confident62.4Low26 Ų2662.4 Ų62.411%0.11446%0.461CS..  trans-124.777-176.5-54.9-68.5000111.1Y20 E53 A56 V57 D60 E82 R83 A84Y20-F80 HydrophobicContact CD1-CZ 4.22Å; Y20-F80 AromaticContact CE1-CE1 3.91Å; Y20-F80 HydrophobicContact CE1-CE1 3.91Å; Y20-F80 HydrophobicContact CE1-CE2 4.42Å; Y20-F80 AromaticContact CE1-CZ 3.57Å; Y20-F80 HydrophobicContact CE1-CZ 3.57Å; E53-F80 HydrophobicContact CB-CZ 4.31Å; A56-F80 HydrophobicContact CB-CD2 4.38Å; A56-F80 HydrophobicContact CB-CE2 3.5Å; A56-F80 VanDerWaalsContact CB-CE2 3.5Å; A56-F80 HydrophobicContact CB-CZ 4.18Å; V57-F80 HydrophobicContact CG2-CD2 4.01Å; V57-F80 HydrophobicContact CG2-CE2 3.99Å; D60-F80 WeakPolarHBondContact OD2-CD2 3.48Å; D60-F80 PolarHBondContact OD2-N 2.9Å; F80-E82 PolarHBondContact O-N 3.09Å; F80-R83 HydrophobicContact CB-CB 3.9Å; F80-R83 HydrophobicContact CB-CG 3.9Å; F80-R83 PolarHBondContact O-N 2.95Å; F80-R83 VanDerWaalsContact O-N 3.15Å; F80-A84 PolarHBondContact O-N 3.32Å; F80-A84 VanDerWaalsContact O-N 3.11Å
81P73.4Confident62.6Low58 Ų5860.2 Ų60.238%0.37744%0.438SS..Hα-helixtrans-58.6-34.7-179.525.3-35.1000112.5V75 N79 A84V75-P81 HydrophobicContact CG1-CB 3.68Å; N79-P81 WeakPolarHBondContact O-CD 3.36Å; P81-A84 PolarHBondContact O-N 3.22Å
82E72.3Confident63.4Low122 Ų12259.8 Ų59.857%0.5743%0.434SS*.Hα-helixtrans-66.8-35.6178.268-69.8161.100113F80F80-E82 PolarHBondContact O-N 3.09Å
83R66.9Low64.4Low84 Ų8465.4 Ų65.432%0.31743%0.432SS..Hα-helixtrans-77-30.7177.8-61.1-176.483175.24.8111F80 A85 A86 A87F80-R83 HydrophobicContact CB-CB 3.9Å; F80-R83 HydrophobicContact CB-CG 3.9Å; F80-R83 PolarHBondContact O-N 2.95Å; F80-R83 VanDerWaalsContact O-N 3.15Å; R83-A85 VanDerWaalsContact C-N 3.32Å; R83-A85 PolarHBondContact O-N 2.86Å; R83-A86 PolarHBondContact O-N 3.3Å; R83-A87 WeakPolarHBondContact O-CB 3.16Å; R83-A87 PolarHBondContact O-N 3.04Å
84A63.2Low65.7Low3 Ų366.4 Ų66.43%0.02543%0.429CS..Hα-helixtrans-63-39.4-178.600000112.9V75 L78 F80 P81 A86 Y88V75-A84 HydrophobicContact CG1-CB 4.31Å; L78-A84 HydrophobicContact CD1-CB 3.44Å; L78-A84 VanDerWaalsContact CD1-CB 3.44Å; F80-A84 PolarHBondContact O-N 3.32Å; F80-A84 VanDerWaalsContact O-N 3.11Å; P81-A84 PolarHBondContact O-N 3.22Å; A84-A86 VanDerWaalsContact C-N 3.33Å; A84-A86 PolarHBondContact O-N 3.5Å; A84-Y88 VanDerWaalsContact CA-CD2 3.41Å; A84-Y88 HydrophobicContact CB-CD2 3.79Å; A84-Y88 HydrophobicContact CB-CE2 3.8Å; A84-Y88 WeakPolarHBondContact O-CD2 3.31Å
85A59.5Low67Low92 Ų9264.4 Ų64.476%0.7642%0.423SS*.Hα-helixtrans-66-34.7176.900000112.9R83R83-A85 VanDerWaalsContact C-N 3.32Å; R83-A85 PolarHBondContact O-N 2.86Å
86A60.4Low68Low88 Ų8863.9 Ų63.973%0.72742%0.421SS*.Hα-helixtrans-90.4-33.8-176.100000113.9R83 A84R83-A86 PolarHBondContact O-N 3.3Å; A84-A86 VanDerWaalsContact C-N 3.33Å; A84-A86 PolarHBondContact O-N 3.5Å
87A58.4Low69.4Low68 Ų6868.6 Ų68.656%0.56242%0.418SS*.Hα-helixtrans-95.1-25.8-167.500000114.6R83R83-A87 WeakPolarHBondContact O-CB 3.16Å; R83-A87 PolarHBondContact O-N 3.04Å
88Y60.3Low70.3Confident12 Ų1269.6 Ų69.65%0.04742%0.423CS..SBendtrans-104.629.4-168.3-52.9-47.4000114.9V57 D60 T61 Y64 F65 A84 A90V57-Y88 PolarHBondContact O-OH 2.79Å; V57-Y88 VanDerWaalsContact O-OH 3.11Å; D60-Y88 HydrophobicContact CB-CE2 4.45Å; T61-Y88 VanDerWaalsContact CA-CE1 3.45Å; T61-Y88 WeakPolarHBondContact CA-OH 3.18Å; T61-Y88 VanDerWaalsContact CB-CE1 3.4Å; T61-Y88 HydrophobicContact CG2-CD1 3.78Å; T61-Y88 HydrophobicContact CG2-CE1 3.38Å; T61-Y88 PolarHBondContact N-OH 3.4Å; T61-Y88 VanDerWaalsContact N-OH 3.09Å; T61-Y88 WeakPolarHBondContact OG1-CE1 3.37Å; T61-Y88 PolarHBondContact OG1-OH 3.11Å; Y64-Y88 HydrophobicContact CD1-CD2 4.13Å; Y64-Y88 AromaticContact CD1-CG 3.89Å; Y64-Y88 HydrophobicContact CD1-CG 3.89Å; Y64-Y88 HydrophobicContact CD2-CD2 4.02Å; Y64-Y88 HydrophobicContact CE1-CG 4.36Å; Y64-Y88 VanDerWaalsContact CE1-O 3.28Å; Y64-Y88 WeakPolarHBondContact CE1-O 3.44Å; Y64-Y88 AromaticContact CG-CD2 3.73Å; Y64-Y88 HydrophobicContact CG-CD2 3.73Å; Y64-Y88 AromaticContact CG-CG 4Å; Y64-Y88 HydrophobicContact CG-CG 4Å; F65-Y88 HydrophobicContact CE2-CD1 4.22Å; A84-Y88 VanDerWaalsContact CA-CD2 3.41Å; A84-Y88 HydrophobicContact CB-CD2 3.79Å; A84-Y88 HydrophobicContact CB-CE2 3.8Å; A84-Y88 WeakPolarHBondContact O-CD2 3.31Å; Y88-A90 PolarHBondContact O-N 3.29Å
89G53.5Low70.8Confident67 Ų6769 Ų6969%0.69142%0.42SS*.THydrogen-bonded Turntrans-31.8108.3-175.800000114.4G91G89-G91 PolarHBondContact O-N 2.62Å
90A52.6Low71.3Confident93 Ų9370.2 Ų70.277%0.76943%0.425SS*.THydrogen-bonded Turntrans3331.5162.200000118.7Y88 G92Y88-A90 PolarHBondContact O-N 3.29Å; A90-G92 PolarHBondContact O-N 2.89Å
91G55.1Low71.8Confident21 Ų2177.6 Ų77.622%0.21645%0.452CS..  trans-73.3115.1176.900000109.2G89G89-G91 PolarHBondContact O-N 2.62Å
92G63.7Low72.5Confident51 Ų5177.4 Ų77.453%0.52645%0.45SS..  trans-54171.517600000113A90 L94A90-G92 PolarHBondContact O-N 2.89Å; G92-L94 WeakPolarHBondContact O-CG 3.48Å; G92-L94 PolarHBondContact O-N 2.93Å
93R70.3Confident73.4Confident224 Ų22471.6 Ų71.685%0.84542%0.422SS*.SBendtrans-50.2105.2-176.3-161.4170.9-172.3-101.82.9111.5
94L79Confident74.7Confident57 Ų5769 Ų6930%0.29842%0.417SS..  trans-87.1152.2-177.8-68.7-174.9000111.3F65 G92 V99 V102F65-L94 HydrophobicContact CB-CD1 4.45Å; F65-L94 HydrophobicContact CD1-CD1 3.69Å; F65-L94 HydrophobicContact CD1-CG 4.12Å; F65-L94 HydrophobicContact CD2-CD1 4.34Å; F65-L94 HydrophobicContact CE1-CD1 3.97Å; F65-L94 HydrophobicContact CG-CD1 3.92Å; F65-L94 HydrophobicContact CZ-CD1 4.42Å; G92-L94 WeakPolarHBondContact O-CG 3.48Å; G92-L94 PolarHBondContact O-N 2.93Å; L94-V99 HydrophobicContact CB-CG2 3.65Å; L94-V102 HydrophobicContact CD1-CG2 4.14Å
95S85.7Confident76Confident59 Ų5973.1 Ų73.141%0.41344%0.439SS..  trans-65.6152169.780.80000110.9R97 S98 V99S95-R97 PolarHBondContact O-N 2.65Å; S95-R97 VanDerWaalsContact O-N 3.12Å; S95-S98 WeakPolarHBondContact O-CA 3.49Å; S95-S98 WeakPolarHBondContact O-CB 3.31Å; S95-S98 PolarHBondContact O-N 3.31Å; S95-S98 WeakPolarHBondContact OG-CB 3.35Å; S95-S98 PolarHBondContact OG-N 2.62Å; S95-S98 PolarHBondContact OG-OG 2.74Å; S95-V99 WeakPolarHBondContact O-CG2 3.42Å; S95-V99 PolarHBondContact O-N 3.01Å
96P85.6Confident77.5Confident49 Ų4970.1 Ų70.132%0.31841%0.414SS..Hα-helixtrans-49.7-40177.7-30.836.9000114.1L44 V99 Q100L44-P96 HydrophobicContact CD1-CB 3.98Å; L44-P96 WeakPolarHBondContact CD1-O 3.36Å; L44-P96 HydrophobicContact CD2-CB 4.2Å; P96-V99 PolarHBondContact O-N 3.04Å; P96-Q100 WeakPolarHBondContact O-CB 3.33Å; P96-Q100 PolarHBondContact O-N 2.86Å
97R87.5Confident79Confident196 Ų19666 Ų6674%0.7438%0.379SS*.Hα-helixtrans-68-41.2175.2-83.2-161.21701090.6113.2S95 V99 Q100 R101S95-R97 PolarHBondContact O-N 2.65Å; S95-R97 VanDerWaalsContact O-N 3.12Å; R97-V99 VanDerWaalsContact C-N 3.31Å; R97-Q100 WeakPolarHBondContact O-CB 3.49Å; R97-Q100 PolarHBondContact O-N 2.65Å; R97-R101 PolarHBondContact O-N 2.85Å
98S89.1Confident80.6Confident49 Ų4968.1 Ų68.134%0.34338%0.379SS..Hα-helixtrans-62.9-42175.1-57.60000110.5S95 R101 V102S95-S98 WeakPolarHBondContact O-CA 3.49Å; S95-S98 WeakPolarHBondContact O-CB 3.31Å; S95-S98 PolarHBondContact O-N 3.31Å; S95-S98 WeakPolarHBondContact OG-CB 3.35Å; S95-S98 PolarHBondContact OG-N 2.62Å; S95-S98 PolarHBondContact OG-OG 2.74Å; S98-R101 PolarHBondContact O-N 3.46Å; S98-V102 WeakPolarHBondContact O-CG2 3.46Å; S98-V102 PolarHBondContact O-N 3.01Å
99V88.2Confident82.1Confident0 Ų069.8 Ų69.80%040%0.396CS..Hα-helixtrans-60-47.7173.7178.20000111.1A62 F65 L66 L94 S95 P96 R97 R101 V102 A103A62-V99 HydrophobicContact CB-CG1 3.82Å; F65-V99 HydrophobicContact CB-CB 4.35Å; F65-V99 HydrophobicContact CB-CG1 4Å; F65-V99 HydrophobicContact CB-CG2 3.53Å; F65-V99 HydrophobicContact CG-CG2 4.49Å; L66-V99 HydrophobicContact CD2-CB 4.47Å; L66-V99 HydrophobicContact CD2-CG1 4.39Å; L66-V99 HydrophobicContact CD2-CG2 4.2Å; L66-V99 HydrophobicContact CG-CG1 4.15Å; L94-V99 HydrophobicContact CB-CG2 3.65Å; S95-V99 WeakPolarHBondContact O-CG2 3.42Å; S95-V99 PolarHBondContact O-N 3.01Å; P96-V99 PolarHBondContact O-N 3.04Å; R97-V99 VanDerWaalsContact C-N 3.31Å; V99-R101 VanDerWaalsContact C-N 3.29Å; V99-R101 PolarHBondContact O-N 2.97Å; V99-V102 PolarHBondContact O-N 3.11Å; V99-A103 WeakPolarHBondContact O-CB 3.39Å; V99-A103 PolarHBondContact O-N 3.1Å
100Q91.3Very high83.8Confident55 Ų5566.8 Ų66.826%0.25736%0.364SS..Hα-helixtrans-55.3-46.4176.8-174.7-174.419.300111W45 L46 P96 R97 S104W45-Q100 PolarHBondContact O-NE2 3.08Å; L46-Q100 HydrophobicContact CD2-CG 4.48Å; P96-Q100 WeakPolarHBondContact O-CB 3.33Å; P96-Q100 PolarHBondContact O-N 2.86Å; R97-Q100 WeakPolarHBondContact O-CB 3.49Å; R97-Q100 PolarHBondContact O-N 2.65Å; Q100-S104 VanDerWaalsContact O-CB 3.3Å; Q100-S104 WeakPolarHBondContact O-CB 3.45Å; Q100-S104 PolarHBondContact O-N 3.39Å; Q100-S104 PolarHBondContact O-OG 3.15Å
101R91Very high85.7Confident181 Ų18163.4 Ų63.468%0.68333%0.333SS*.Hα-helixtrans-61.3-53.2178.7-169.2-177.4-138.3-111.55.9112R97 S98 V99 A103 S104 D105R97-R101 PolarHBondContact O-N 2.85Å; S98-R101 PolarHBondContact O-N 3.46Å; V99-R101 VanDerWaalsContact C-N 3.29Å; V99-R101 PolarHBondContact O-N 2.97Å; R101-A103 VanDerWaalsContact C-N 3.33Å; R101-A103 PolarHBondContact O-N 2.82Å; R101-S104 WeakPolarHBondContact O-CB 3.43Å; R101-S104 PolarHBondContact O-N 2.84Å; R101-S104 VanDerWaalsContact O-N 3.16Å; R101-D105 VanDerWaalsContact O-CG 3.26Å; R101-D105 PolarHBondContact O-N 2.75Å
102V89.6Confident87.4Confident55 Ų5565.5 Ų65.533%0.33335%0.348SS..Hα-helixtrans-62.8-41-178.2177.80000111.3T61 F65 L94 S98 V99 D105 A106T61-V102 HydrophobicContact CG2-CG1 3.98Å; F65-V102 HydrophobicContact CD2-CG1 4.28Å; F65-V102 HydrophobicContact CE2-CB 4.25Å; F65-V102 HydrophobicContact CE2-CG1 3.47Å; F65-V102 VanDerWaalsContact CE2-CG1 3.47Å; F65-V102 HydrophobicContact CZ-CG1 4.01Å; L94-V102 HydrophobicContact CD1-CG2 4.14Å; S98-V102 WeakPolarHBondContact O-CG2 3.46Å; S98-V102 PolarHBondContact O-N 3.01Å; V99-V102 PolarHBondContact O-N 3.11Å; V102-D105 PolarHBondContact O-N 3.33Å; V102-A106 VanDerWaalsContact O-CB 3.29Å; V102-A106 WeakPolarHBondContact O-CB 3.5Å; V102-A106 PolarHBondContact O-N 2.96Å
103A90.8Very high88.6Confident0 Ų069.1 Ų69.10%035%0.352CS..Hα-helixtrans-65.3-4017500000112.7L46 A58 T61 A62 V99 R101 G107L46-A103 HydrophobicContact CD1-CB 4.35Å; L46-A103 HydrophobicContact CD2-CB 3.91Å; A58-A103 WeakPolarHBondContact CB-O 3.47Å; A58-A103 WeakPolarHBondContact O-CB 3.25Å; T61-A103 HydrophobicContact CG2-CB 4.12Å; A62-A103 HydrophobicContact CB-CB 3.89Å; V99-A103 WeakPolarHBondContact O-CB 3.39Å; V99-A103 PolarHBondContact O-N 3.1Å; R101-A103 VanDerWaalsContact C-N 3.33Å; R101-A103 PolarHBondContact O-N 2.82Å; A103-G107 PolarHBondContact O-N 3.39Å
104S93.2Very high89.4Confident29 Ų2960.9 Ų60.920%0.20332%0.324CS..Hα-helixtrans-59.3-52.2174.6-57.40000110.1L46 Q100 R101 A106 G107 M108L46-S104 WeakPolarHBondContact O-CB 3.22Å; L46-S104 PolarHBondContact O-OG 3.11Å; Q100-S104 VanDerWaalsContact O-CB 3.3Å; Q100-S104 WeakPolarHBondContact O-CB 3.45Å; Q100-S104 PolarHBondContact O-N 3.39Å; Q100-S104 PolarHBondContact O-OG 3.15Å; R101-S104 WeakPolarHBondContact O-CB 3.43Å; R101-S104 PolarHBondContact O-N 2.84Å; R101-S104 VanDerWaalsContact O-N 3.16Å; S104-A106 PolarHBondContact O-N 3.36Å; S104-G107 PolarHBondContact O-N 3.38Å; S104-M108 VanDerWaalsContact O-CG 3.25Å; S104-M108 WeakPolarHBondContact O-CG 3.05Å; S104-M108 PolarHBondContact O-N 3.26Å
105D92.1Very high89.7Confident90 Ų9060.5 Ų60.548%0.48132%0.324SS..Hα-helixtrans-62-44.8-178-66.8-17.9000111.3R101 V102 G107 M108 A109R101-D105 VanDerWaalsContact O-CG 3.26Å; R101-D105 PolarHBondContact O-N 2.75Å; V102-D105 PolarHBondContact O-N 3.33Å; D105-G107 PolarHBondContact O-N 3.48Å; D105-M108 PolarHBondContact O-N 2.83Å; D105-A109 WeakPolarHBondContact O-CB 3.43Å; D105-A109 PolarHBondContact O-N 3.29Å
106A90.4Very high89.8Confident29 Ų2959.8 Ų59.824%0.2432%0.322CS..Hα-helixtrans-62.3-43.4176.800000112.3V57 T61 V102 S104 A110V57-A106 HydrophobicContact CG1-CB 4.41Å; T61-A106 HydrophobicContact CG2-CB 4.13Å; V102-A106 VanDerWaalsContact O-CB 3.29Å; V102-A106 WeakPolarHBondContact O-CB 3.5Å; V102-A106 PolarHBondContact O-N 2.96Å; S104-A106 PolarHBondContact O-N 3.36Å; A106-A110 WeakPolarHBondContact O-CB 3.17Å; A106-A110 PolarHBondContact O-N 2.95Å
107G92.5Very high89.8Confident0 Ų059.7 Ų59.70%033%0.325CS..Hα-helixtrans-62.6-44.8174.800000112.2A54 A103 S104 D105 A110 D111A54-G107 WeakPolarHBondContact CB-O 3.22Å; A103-G107 PolarHBondContact O-N 3.39Å; S104-G107 PolarHBondContact O-N 3.38Å; D105-G107 PolarHBondContact O-N 3.48Å; G107-A110 PolarHBondContact O-N 3.22Å; G107-D111 WeakPolarHBondContact O-CB 3.24Å; G107-D111 PolarHBondContact O-N 3.42Å
108M91.3Very high89.5Confident113 Ų11356.3 Ų56.356%0.55731%0.312SS*.Hα-helixtrans-65.3-41.3179.7-69.9-66-76.400111.4Y49 S104 D105 D111 A112Y49-M108 HydrophobicContact CD1-SD 4.21Å; Y49-M108 HydrophobicContact CE1-CG 4.1Å; Y49-M108 HydrophobicContact CE1-SD 4.05Å; S104-M108 VanDerWaalsContact O-CG 3.25Å; S104-M108 WeakPolarHBondContact O-CG 3.05Å; S104-M108 PolarHBondContact O-N 3.26Å; D105-M108 PolarHBondContact O-N 2.83Å; M108-D111 PolarHBondContact O-N 3.22Å; M108-A112 WeakPolarHBondContact O-CB 3.4Å; M108-A112 PolarHBondContact O-N 2.92Å
109A91.1Very high89.1Confident48 Ų4859.9 Ų59.940%0.39732%0.323SS..Hα-helixtrans-61.9-43.417500000111.8D105 Q113D105-A109 WeakPolarHBondContact O-CB 3.43Å; D105-A109 PolarHBondContact O-N 3.29Å; A109-Q113 VanDerWaalsContact O-CG 3.3Å; A109-Q113 WeakPolarHBondContact O-CG 2.97Å; A109-Q113 PolarHBondContact O-N 2.77Å; A109-Q113 VanDerWaalsContact O-N 3.1Å
110A90.2Very high88.7Confident3 Ų365.3 Ų65.33%0.02535%0.352CS..Hα-helixtrans-65.1-41.5175.400000112.1A54 V57 A106 G107 Q113 L114A54-A110 HydrophobicContact CB-CB 4.17Å; V57-A110 HydrophobicContact CB-CB 4.28Å; V57-A110 HydrophobicContact CG1-CB 4.19Å; V57-A110 HydrophobicContact CG2-CB 4.23Å; A106-A110 WeakPolarHBondContact O-CB 3.17Å; A106-A110 PolarHBondContact O-N 2.95Å; G107-A110 PolarHBondContact O-N 3.22Å; A110-Q113 PolarHBondContact O-N 3.44Å; A110-L114 WeakPolarHBondContact O-CB 3.36Å; A110-L114 VanDerWaalsContact O-CG 3.24Å; A110-L114 WeakPolarHBondContact O-CG 3.24Å; A110-L114 PolarHBondContact O-N 3.1Å
111D91.4Very high88Confident23 Ų2366.4 Ų66.412%0.12336%0.363CS..Hα-helixtrans-62.3-45.9177.8-158.760.2000110.8Y49 A50 T51 A54 G107 M108 Q113 L114 V115Y49-D111 HydrophobicContact CD1-CB 4.33Å; A50-D111 WeakPolarHBondContact CB-OD2 3.3Å; A50-D111 PolarHBondContact N-OD1 3.39Å; A50-D111 PolarHBondContact N-OD2 2.91Å; T51-D111 WeakPolarHBondContact CB-OD1 3.41Å; T51-D111 PolarHBondContact N-OD1 3.41Å; T51-D111 PolarHBondContact OG1-OD1 3.31Å; A54-D111 HydrophobicContact CB-CB 3.61Å; G107-D111 WeakPolarHBondContact O-CB 3.24Å; G107-D111 PolarHBondContact O-N 3.42Å; M108-D111 PolarHBondContact O-N 3.22Å; D111-Q113 PolarHBondContact O-N 3.1Å; D111-L114 PolarHBondContact O-N 3.18Å; D111-V115 WeakPolarHBondContact O-CB 3.32Å; D111-V115 VanDerWaalsContact O-CG2 3.22Å; D111-V115 WeakPolarHBondContact O-CG2 3.37Å; D111-V115 PolarHBondContact O-N 3.06Å
112A90.8Very high87.2Confident64 Ų6467.1 Ų67.153%0.52937%0.365SS..Hα-helixtrans-59.4-45.717700000111.8M108 A116M108-A112 WeakPolarHBondContact O-CB 3.4Å; M108-A112 PolarHBondContact O-N 2.92Å; A112-A116 VanDerWaalsContact O-CB 3.24Å; A112-A116 WeakPolarHBondContact O-CB 2.9Å; A112-A116 PolarHBondContact O-N 3.36Å
113Q89.3Confident86.5Confident128 Ų12867.4 Ų67.460%0.59837%0.374SS*.Hα-helixtrans-63.7-42178.2-71.3173.435.800112.1A109 A110 D111 A117A109-Q113 VanDerWaalsContact O-CG 3.3Å; A109-Q113 WeakPolarHBondContact O-CG 2.97Å; A109-Q113 PolarHBondContact O-N 2.77Å; A109-Q113 VanDerWaalsContact O-N 3.1Å; A110-Q113 PolarHBondContact O-N 3.44Å; D111-Q113 PolarHBondContact O-N 3.1Å; Q113-A117 VanDerWaalsContact O-CB 3.3Å; Q113-A117 WeakPolarHBondContact O-CB 3.04Å; Q113-A117 PolarHBondContact O-N 3.26Å
114L86.7Confident85.6Confident50 Ų5072.9 Ų72.926%0.26240%0.403SS..Hα-helixtrans-72.7-37-179-71.2168.5000112.4T51 E53 A110 D111 R118T51-L114 HydrophobicContact CG2-CB 4.07Å; T51-L114 HydrophobicContact CG2-CD1 4.48Å; E53-L114 HydrophobicContact CB-CD1 3.71Å; A110-L114 WeakPolarHBondContact O-CB 3.36Å; A110-L114 VanDerWaalsContact O-CG 3.24Å; A110-L114 WeakPolarHBondContact O-CG 3.24Å; A110-L114 PolarHBondContact O-N 3.1Å; D111-L114 PolarHBondContact O-N 3.18Å; L114-R118 WeakPolarHBondContact O-CB 3.38Å; L114-R118 WeakPolarHBondContact O-CD 3.46Å; L114-R118 WeakPolarHBondContact O-CG 3.5Å; L114-R118 PolarHBondContact O-N 3.16Å; L114-R118 VanDerWaalsContact O-N 3.09Å
115V86.1Confident84.4Confident50 Ų5081.4 Ų81.430%0.30343%0.43SS..Hα-helixtrans-66.7-46.7174.4172.30000109.9A50 T51 D111 A117 R118 E119A50-V115 HydrophobicContact CB-CG2 4.27Å; T51-V115 HydrophobicContact CG2-CG2 4.41Å; D111-V115 WeakPolarHBondContact O-CB 3.32Å; D111-V115 VanDerWaalsContact O-CG2 3.22Å; D111-V115 WeakPolarHBondContact O-CG2 3.37Å; D111-V115 PolarHBondContact O-N 3.06Å; V115-A117 PolarHBondContact O-N 3.35Å; V115-R118 WeakPolarHBondContact O-CB 3.17Å; V115-R118 PolarHBondContact O-N 2.96Å; V115-E119 WeakPolarHBondContact O-CG 3.17Å; V115-E119 PolarHBondContact O-N 3.01Å
116A87.6Confident83.3Confident44 Ų4480.7 Ų80.736%0.36444%0.437SS..Hα-helixtrans-59-46.4175.900000112A112 R118 E119 D120A112-A116 VanDerWaalsContact O-CB 3.24Å; A112-A116 WeakPolarHBondContact O-CB 2.9Å; A112-A116 PolarHBondContact O-N 3.36Å; A116-R118 VanDerWaalsContact C-N 3.28Å; A116-R118 PolarHBondContact O-N 3.41Å; A116-E119 WeakPolarHBondContact O-CA 3.46Å; A116-E119 WeakPolarHBondContact O-CB 3.42Å; A116-E119 PolarHBondContact O-N 3.45Å; A116-D120 PolarHBondContact O-N 3.02Å
117A86Confident81.9Confident46 Ų4682 Ų8238%0.3845%0.453SS..Hα-helixtrans-62.1-34.1177.500000113.1Q113 V115 E119 T121Q113-A117 VanDerWaalsContact O-CB 3.3Å; Q113-A117 WeakPolarHBondContact O-CB 3.04Å; Q113-A117 PolarHBondContact O-N 3.26Å; V115-A117 PolarHBondContact O-N 3.35Å; A117-E119 VanDerWaalsContact C-N 3.33Å; A117-T121 WeakPolarHBondContact O-CB 3.49Å; A117-T121 WeakPolarHBondContact O-CG2 3.38Å; A117-T121 PolarHBondContact O-N 3.02Å; A117-T121 PolarHBondContact O-OG1 2.9Å
118R80.6Confident80.3Confident126 Ų12688.3 Ų88.348%0.47549%0.486SS..Hα-helixtrans-68.3-34173.3-72.1166.1-172.5-118.85.1111.6E53 L114 V115 A116 T121 R122E53-R118 IonicContact OE2-NH2 3.71Å; L114-R118 WeakPolarHBondContact O-CB 3.38Å; L114-R118 WeakPolarHBondContact O-CD 3.46Å; L114-R118 WeakPolarHBondContact O-CG 3.5Å; L114-R118 PolarHBondContact O-N 3.16Å; L114-R118 VanDerWaalsContact O-N 3.09Å; V115-R118 WeakPolarHBondContact O-CB 3.17Å; V115-R118 PolarHBondContact O-N 2.96Å; A116-R118 VanDerWaalsContact C-N 3.28Å; A116-R118 PolarHBondContact O-N 3.41Å; R118-T121 WeakPolarHBondContact CA-OG1 3.34Å; R118-T121 PolarHBondContact O-OG1 2.85Å; R118-R122 WeakPolarHBondContact O-CB 3.46Å; R118-R122 PolarHBondContact O-N 3.09Å
119E81.3Confident78.2Confident124 Ų12486.4 Ų86.458%0.57949%0.494SS*.Hα-helixtrans-71.5-42.2175.5-69.6-178.7168.800111.7V115 A116 A117 R122 A123V115-E119 WeakPolarHBondContact O-CG 3.17Å; V115-E119 PolarHBondContact O-N 3.01Å; A116-E119 WeakPolarHBondContact O-CA 3.46Å; A116-E119 WeakPolarHBondContact O-CB 3.42Å; A116-E119 PolarHBondContact O-N 3.45Å; A117-E119 VanDerWaalsContact C-N 3.33Å; E119-R122 CarbonylContact O-C 3.42Å; E119-R122 WeakPolarHBondContact O-CB 3.3Å; E119-R122 PolarHBondContact O-N 3.29Å; E119-A123 WeakPolarHBondContact O-CB 3.3Å; E119-A123 PolarHBondContact O-N 2.93Å
120D78.8Confident75.9Confident113 Ų11386.9 Ų86.960%0.60450%0.504SS*.Hα-helixtrans-62.2-46.6176.1-68.2-27.2000111.5A116 R122 A123 L124A116-D120 PolarHBondContact O-N 3.02Å; D120-R122 VanDerWaalsContact C-N 3.29Å; D120-R122 PolarHBondContact O-N 3.17Å; D120-A123 PolarHBondContact O-N 3.21Å; D120-L124 WeakPolarHBondContact O-CB 3.36Å; D120-L124 PolarHBondContact O-N 2.76Å
121T76.9Confident73.5Confident79 Ų7990.5 Ų90.549%0.48554%0.542SS..Hα-helixtrans-65.1-34.6176.251.70000112.1A117 R118 R125A117-T121 WeakPolarHBondContact O-CB 3.49Å; A117-T121 WeakPolarHBondContact O-CG2 3.38Å; A117-T121 PolarHBondContact O-N 3.02Å; A117-T121 PolarHBondContact O-OG1 2.9Å; R118-T121 WeakPolarHBondContact CA-OG1 3.34Å; R118-T121 PolarHBondContact O-OG1 2.85Å; T121-R125 WeakPolarHBondContact O-CB 3.32Å; T121-R125 VanDerWaalsContact O-CG 3.3Å; T121-R125 WeakPolarHBondContact O-CG 3.49Å; T121-R125 PolarHBondContact O-N 3.03Å
122R75.7Confident71.4Confident195 Ų19594 Ų9474%0.73657%0.573SS**Hα-helixtrans-69-41.3173.7-177.6178.9179.2-179.80.2111.8R118 E119 D120 R125 A126R118-R122 WeakPolarHBondContact O-CB 3.46Å; R118-R122 PolarHBondContact O-N 3.09Å; E119-R122 CarbonylContact O-C 3.42Å; E119-R122 WeakPolarHBondContact O-CB 3.3Å; E119-R122 PolarHBondContact O-N 3.29Å; D120-R122 VanDerWaalsContact C-N 3.29Å; D120-R122 PolarHBondContact O-N 3.17Å; R122-R125 PolarHBondContact O-N 3.04Å; R122-A126 VanDerWaalsContact O-CB 3.31Å; R122-A126 WeakPolarHBondContact O-CB 3.31Å; R122-A126 PolarHBondContact O-N 2.89Å
123A74.1Confident69.2Low62 Ų6296.7 Ų96.751%0.51259%0.589SS.*Hα-helixtrans-64.2-44176.200000110.8E119 D120 A126 G127E119-A123 WeakPolarHBondContact O-CB 3.3Å; E119-A123 PolarHBondContact O-N 2.93Å; D120-A123 PolarHBondContact O-N 3.21Å; A123-A126 PolarHBondContact O-N 2.99Å; A123-G127 PolarHBondContact O-N 3.42Å
124L71.2Confident67.3Low115 Ų11595.3 Ų95.360%0.60260%0.599SS**Hα-helixtrans-60.5-47.8174.2-17862.6000111.3D120 A126 G127 I128D120-L124 WeakPolarHBondContact O-CB 3.36Å; D120-L124 PolarHBondContact O-N 2.76Å; L124-A126 PolarHBondContact O-N 2.95Å; L124-G127 PolarHBondContact O-N 3.32Å; L124-I128 HydrophobicContact CD1-CD1 4Å; L124-I128 HydrophobicContact CD1-CG1 4.47Å; L124-I128 HydrophobicContact CG-CD1 3.9Å; L124-I128 WeakPolarHBondContact O-CD1 3.33Å; L124-I128 WeakPolarHBondContact O-CG1 3.36Å; L124-I128 PolarHBondContact O-N 2.87Å
125R68.9Low66Low207 Ų207103.3 Ų103.378%0.78163%0.626SS**Hα-helixtrans-63.4-38.4177.1-78178.7169.8-171.1-2.2113T121 R122 G127T121-R125 WeakPolarHBondContact O-CB 3.32Å; T121-R125 VanDerWaalsContact O-CG 3.3Å; T121-R125 WeakPolarHBondContact O-CG 3.49Å; T121-R125 PolarHBondContact O-N 3.03Å; R122-R125 PolarHBondContact O-N 3.04Å; R125-G127 VanDerWaalsContact C-N 3.35Å
126A69.5Low64.7Low75 Ų75106.6 Ų106.662%0.6265%0.648SS**Hα-helixtrans-67.9-35.3175.900000112R122 A123 L124 G129R122-A126 VanDerWaalsContact O-CB 3.31Å; R122-A126 WeakPolarHBondContact O-CB 3.31Å; R122-A126 PolarHBondContact O-N 2.89Å; A123-A126 PolarHBondContact O-N 2.99Å; L124-A126 PolarHBondContact O-N 2.95Å; A126-G129 PolarHBondContact O-N 3.45Å
127G59.7Low63.3Low56 Ų56114.7 Ų114.758%0.57767%0.669SS**Hα-helixtrans-72.1-23.4178.300000114.8A123 L124 R125 G129A123-G127 PolarHBondContact O-N 3.42Å; L124-G127 PolarHBondContact O-N 3.32Å; R125-G127 VanDerWaalsContact C-N 3.35Å; G127-G129 VanDerWaalsContact C-N 3.3Å
128I60Low61.6Low134 Ų134119.6 Ų119.669%0.68769%0.689SS**THydrogen-bonded Turntrans-83-9.1179.6-58.4159.5000111.7L124L124-I128 HydrophobicContact CD1-CD1 4Å; L124-I128 HydrophobicContact CD1-CG1 4.47Å; L124-I128 HydrophobicContact CG-CD1 3.9Å; L124-I128 WeakPolarHBondContact O-CD1 3.33Å; L124-I128 WeakPolarHBondContact O-CG1 3.36Å; L124-I128 PolarHBondContact O-N 2.87Å
129G46.1Very low60.6Low72 Ų72123.9 Ų123.974%0.74271%0.705SS**SBendtrans-106.92.4-172.100000117.8A126 G127A126-G129 PolarHBondContact O-N 3.45Å; G127-G129 VanDerWaalsContact C-N 3.3Å
130G42.8Very low59.2Low58 Ų58125.2 Ų125.260%0.59872%0.716SS**  trans-161.9117.8174.500000108.5
131G39.1Very low58.1Low79 Ų79123.9 Ų123.981%0.81472%0.721SS**  114.7109.45900000107.3
132A47.6Very low56.7Low96 Ų96123.5 Ų123.579%0.79373%0.733SS**  trans67.8101.7160.200000119.6A134A132-A134 PolarHBondContact O-N 3.41Å
133S45.5Very low55.7Low121 Ų121122 Ų12285%0.84674%0.739SS**  44.567.5120.5-126.90000117.4
134A49.4Very low54.7Low99 Ų99123 Ų12382%0.81875%0.748SS**  trans-98.492.7158.400000108.4A132A132-A134 PolarHBondContact O-N 3.41Å
135R59.1Low53.8Low219 Ų219123.6 Ų123.683%0.82676%0.76SS**  trans-58.5135.6169.1-71.3-170.5158.1-138.8-5109.3R137R135-R137 PolarHBondContact O-N 2.84Å; R135-R137 VanDerWaalsContact O-N 3.11Å
136P58.4Low53Low118 Ų118118.9 Ų118.977%0.76677%0.765SS**  trans-65.1115.8168.325.8-25000106.7D138P136-D138 PolarHBondContact O-N 3.26Å
137R58Low51.9Low215 Ų215119.3 Ų119.381%0.81178%0.777SS**  trans-79.2106.1165.2-75.8-169.3178.1124.9-2.6106.5R135 R139R135-R137 PolarHBondContact O-N 2.84Å; R135-R137 VanDerWaalsContact O-N 3.11Å; R137-R139 PolarHBondContact O-N 2.9Å
138D51.4Low51.1Low149 Ų149127.4 Ų127.480%0.79779%0.79SS**  trans-43.2123.8153.8-70.9-72.8000109.9P136P136-D138 PolarHBondContact O-N 3.26Å
139R58.8Low50.9Low216 Ų216125 Ų12582%0.81579%0.79SS**  trans-143.998.7152.7-98.7-173.5-153.2120.62.8107.4R137R137-R139 PolarHBondContact O-N 2.9Å
140D52.3Low51.4Low151 Ų151129.1 Ų129.181%0.80779%0.79SS**  13.9113.2126.4-95.5-105.1000114.7
141A54.5Low52.4Low86 Ų86133.6 Ų133.671%0.71180%0.8SS**  93.5122.574.600000111.1
142G48.6Very low53.1Low71 Ų71133.6 Ų133.673%0.73279%0.793SS**  trans76.6105.2150.200000117.6
143D54.9Low53.2Low162 Ų162134.1 Ų134.187%0.86679%0.791SS**  167.496.9128.9-102.7-60.7000106.7
144A52.9Low53.9Low84 Ų84134.8 Ų134.869%0.69478%0.784SS**  75.3131.377.500000114.9
145C52Low54.2Low128 Ų128137.9 Ų137.987%0.86578%0.781SS**  trans77.7112.9154.3-87.80000121.7
146A51.8Low53.7Low107 Ų107133.3 Ų133.388%0.88478%0.783SS**  87.1119.3126.100000118.8
147G47.9Very low53.7Low84 Ų84134 Ų13487%0.86679%0.785SS**  trans169.755.1167.300000115.4
148R42.3Very low53.3Low227 Ų227127.2 Ų127.286%0.85778%0.782SS**  trans-84.8115.7165.3175.2-177.9-115.1-137.9-0.7109
149A56Low53.4Low83 Ų83125.5 Ų125.569%0.68679%0.788SS**  trans-172.4114.1150.800000109.5
150H56.2Low53.1Low158 Ų158118.9 Ų118.973%0.73179%0.787SS**  68.1107.487.2-51-45.3000114.8
151N62.7Low53.1Low152 Ų152123 Ų12381%0.81379%0.791SS**  trans-165.695.2155178.7-35.1000107.9
152A55.8Low53.3Low80 Ų80127 Ų12766%0.66180%0.795SS**  73.5109.1110.700000112.8
153S49.6Very low53.6Low107 Ų107131.8 Ų131.875%0.74880%0.798SS**  53.7136.758.8-155.90000114.1
154L59.3Low53.8Low135 Ų135129.9 Ų129.971%0.70780%0.795SS**  trans86.2121.4176.9-41.8164.7000112.6
155H55.9Low54.3Low163 Ų163132.3 Ų132.376%0.75580%0.801SS**  cis-162132.837.5-61.376.9000109.5
156S49.6Very low54.4Low123 Ų123132 Ų13286%0.8680%0.801SS**  trans-126.2104.415752.80000108.2
157T58.3Low54.8Low134 Ų134129.9 Ų129.982%0.82279%0.789SS**  trans-139.6140.6177.231.10000109
158G49Very low55.4Low72 Ų72135.2 Ų135.274%0.74279%0.791SS**  trans114.785.7175.700000111.3
159A53.1Low56.2Low113 Ų113132.4 Ų132.493%0.93479%0.791SS**  54.599.863.300000112.2
160G52.5Low56.4Low76 Ų76132.1 Ų132.178%0.78478%0.784SS**  trans-175.189.417600000109.7
161R52.9Low56.8Low239 Ų239131.2 Ų131.290%0.90279%0.79SS**  trans-106.8110.4-172.8165.7-166.7166.8111-2.4107.4
162E57.5Low56.9Low170 Ų170130.2 Ų130.279%0.79478%0.784SS**  trans-168.499.4163.134.5-139.210400109.7
163Q56Low57.1Low170 Ų170134.4 Ų134.479%0.79480%0.795SS**  92.2110.3101.5-68.2-109.9-1.300111.4V165Q163-V165 PolarHBondContact O-N 3.48Å
164P58.4Low57.6Low122 Ų122137 Ų13779%0.79280%0.798SS**  trans-73.5108.3168.830.3-29.4000108.2S166P164-S166 PolarHBondContact O-N 3.24Å
165V63.3Low57.4Low135 Ų135137.9 Ų137.982%0.81880%0.803SS**  trans-7998.3164.6-69.20000107.8Q163 G167Q163-V165 PolarHBondContact O-N 3.48Å; V165-G167 PolarHBondContact O-N 3.19Å; V165-G167 VanDerWaalsContact O-N 3.09Å
166S55.5Low57.3Low123 Ų123137.2 Ų137.286%0.8680%0.804SS**  trans-58.9105.1155.9-61.60000107P164P164-S166 PolarHBondContact O-N 3.24Å
167G60.4Low57.5Low62 Ų62138.7 Ų138.764%0.63980%0.801SS**  trans-127.199174.700000107.8V165 I169V165-G167 PolarHBondContact O-N 3.19Å; V165-G167 VanDerWaalsContact O-N 3.09Å; G167-I169 PolarHBondContact O-N 3.25Å; G167-I169 VanDerWaalsContact O-N 3.13Å
168E58.9Low57.2Low195 Ų195144 Ų14491%0.91182%0.823SS**  trans-56108.7169.8-60.917596.600108.5S170E168-S170 PolarHBondContact O-N 3.11Å
169I59.3Low57.6Low168 Ų168147.6 Ų147.686%0.86283%0.827SS**  trans-81.699.3157.440.8166.4000106.1G167G167-I169 PolarHBondContact O-N 3.25Å; G167-I169 VanDerWaalsContact O-N 3.13Å
170S61.5Low57.8Low77 Ų77149.4 Ų149.454%0.53882%0.821SS.*  trans-62.2151.1177.6115.90000110.4E168 D172E168-S170 PolarHBondContact O-N 3.11Å; S170-D172 PolarHBondContact O-N 3.32Å; S170-D172 VanDerWaalsContact O-N 3.08Å; S170-D172 WeakPolarHBondContact OG-CB 3.21Å; S170-D172 PolarHBondContact OG-OD2 3.33Å
171V64.5Low58.1Low139 Ų139153.4 Ų153.484%0.84282%0.823SS**SBendtrans-86.243.4-175-174.10000109.4
172D64.3Low58.4Low131 Ų131148.4 Ų148.470%0.70182%0.819SS**  trans-130.915.6-171.8-58.3-75.6000114.7S170 M174S170-D172 PolarHBondContact O-N 3.32Å; S170-D172 VanDerWaalsContact O-N 3.08Å; S170-D172 WeakPolarHBondContact OG-CB 3.21Å; S170-D172 PolarHBondContact OG-OD2 3.33Å; D172-M174 VanDerWaalsContact C-N 3.31Å
173D60.6Low58.5Low168 Ų168147.1 Ų147.190%0.89882%0.82SS**  trans-100.639.9164.8-87.2-60.3000111.6
174M58.2Low58.6Low161 Ų161145.5 Ų145.579%0.79382%0.822SS**  trans-110.681.3162.9-89.6-74.2-61.500107.4D172D172-M174 VanDerWaalsContact C-N 3.31Å
175D56.3Low58.6Low154 Ų154147.2 Ų147.282%0.82482%0.824SS**  trans171.6159.3150-97.7-51.9000110.1
176I54.2Low58.3Low150 Ų150148.2 Ų148.277%0.76983%0.825SS**  trans90.783.6168.4-52.1172.2000115.4
177L53.4Low58.5Low153 Ų153150.3 Ų150.380%0.80182%0.822SS**  -179.1116.1103.1-102.4139.2000110.5
178L50.5Low58.4Low245 Ų245158.3 Ų158.3100%1.28384%0.838SS**  trans14.10155.4-85.9103.9000119.3

Retrieved 178 of 178 residues in 63.7 ms (Link to these results)

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