A0A087WWX5_HUMAN Loading...

KLF transcription factor 16

AlphaFold DB , UniProt , Accession A0A087WWX5, Species HUMAN (Homo sapiens, Human), Gene KLF16, Length 115 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
1M40.1Very low48.8Very low243 Ų243115.9 Ų115.9100%1.19783%0.829SS**  0128.20-63.3-57.3177.400107.8
2A39.2Very low48.8Very low102 Ų102111.9 Ų111.984%0.84382%0.818SS**  trans-72.3159.3-16300000114.6
3A53.6Low49.3Very low89 Ų89111.2 Ų111.274%0.73682%0.821SS**  trans-57.9167172.200000113
4P46.6Very low49.4Very low128 Ų128112.8 Ų112.883%0.83181%0.806SS**  -124.7118.2117.332.6-29.7000113.6A6P4-A6 PolarHBondContact O-N 3.33Å
5A49.9Very low49.3Very low86 Ų86122.5 Ų122.571%0.71182%0.818SS**  trans-73.5112160.900000108.4V7A5-V7 PolarHBondContact O-N 3.26Å
6A48.5Very low49.7Very low103 Ų103118.3 Ų118.385%0.85180%0.801SS**  trans-70.4107.9169.900000108.5P4 A8P4-A6 PolarHBondContact O-N 3.33Å; A6-A8 PolarHBondContact O-N 3.19Å
7V53.7Low50.3Low134 Ų134120.9 Ų120.981%0.81280%0.799SS**  trans-70.9114.9174-50.30000107.8A5 G9A5-V7 PolarHBondContact O-N 3.26Å; V7-G9 PolarHBondContact O-N 3.42Å
8A53.4Low51.1Low97 Ų97121.6 Ų121.680%0.80278%0.783SS**PPolyproline II helixtrans-61.6125.8172.300000108.7A6 A10A6-A8 PolarHBondContact O-N 3.19Å; A8-A10 PolarHBondContact O-N 2.82Å
9G44.9Very low52.3Low70 Ų70120.1 Ų120.172%0.72277%0.773SS**PPolyproline II helixtrans-56.2130.4178.400000111.5V7V7-G9 PolarHBondContact O-N 3.42Å
10A56.9Low53.7Low92 Ų92117.6 Ų117.676%0.7675%0.75SS**PPolyproline II helixtrans-59.4125.916800000109.3A8 G12A8-A10 PolarHBondContact O-N 2.82Å; A10-G12 PolarHBondContact O-N 3.12Å; A10-G12 VanDerWaalsContact O-N 3.17Å
11P50.4Low55.1Low131 Ų131114.2 Ų114.285%0.85173%0.733SS**PPolyproline II helixtrans-65.8120.7171.225.6-30.5000108.5
12G48.7Very low57.2Low68 Ų68103.3 Ų103.370%0.70168%0.68SS**PPolyproline II helixtrans-53.6141.7-170.700000114A10 Q14A10-G12 PolarHBondContact O-N 3.12Å; A10-G12 VanDerWaalsContact O-N 3.17Å; G12-Q14 PolarHBondContact O-N 3.02Å
13A55.4Low59.1Low103 Ų103105.7 Ų105.785%0.85168%0.679SS**  trans-54.510716300000109.7R15A13-R15 PolarHBondContact O-N 3.39Å; A13-R15 VanDerWaalsContact O-N 3.12Å
14Q50.2Low60.2Low133 Ų133108.1 Ų108.162%0.62167%0.669SS**  trans-72.8101.3169.543.3161.34000109.2G12 G16G12-Q14 PolarHBondContact O-N 3.02Å; Q14-G16 VanDerWaalsContact C-N 3.32Å; Q14-G16 PolarHBondContact O-N 3.17Å
15R48Very low61.4Low259 Ų259111.1 Ų111.198%0.97767%0.672SS**SBendtrans-51.889.9168.8-178.9179.4174.4-167.2-1110.2A13A13-R15 PolarHBondContact O-N 3.39Å; A13-R15 VanDerWaalsContact O-N 3.12Å
16G55.2Low62.8Low54 Ų54110.7 Ų110.756%0.55768%0.676SS**SBendtrans147.541.7-173.200000111.4Q14 R18Q14-G16 VanDerWaalsContact C-N 3.32Å; Q14-G16 PolarHBondContact O-N 3.17Å; G16-R18 PolarHBondContact O-N 2.86Å
17E59.8Low64.3Low164 Ų164106.7 Ų106.777%0.76664%0.642SS**  trans-60.7102.8-177-62.7-178.1105.800108.7P19E17-P19 WeakPolarHBondContact O-CD 2.99Å
18R64.8Low65.4Low132 Ų132107.5 Ų107.550%0.49864%0.642SS.*  trans-98.676.1163.7-70.7170.381.8173.610.6105.3G16 F20 K30 F31 A32G16-R18 PolarHBondContact O-N 2.86Å; R18-F20 PolarHBondContact O-N 2.76Å; R18-F20 VanDerWaalsContact O-N 3.12Å; R18-K30 HydrophobicContact CB-CB 3.75Å; R18-K30 PolarHBondContact NE-O 3.38Å; R18-K30 PolarHBondContact NH2-O 2.97Å; R18-F31 CarbonylContact C-O 3.32Å; R18-F31 WeakPolarHBondContact CA-O 3.18Å; R18-F31 VanDerWaalsContact CB-O 3.23Å; R18-F31 WeakPolarHBondContact CB-O 3.46Å; R18-A32 HydrophobicContact CG-CB 4.38Å
19P74.7Confident66.7Low93 Ų93108.6 Ų108.660%0.60463%0.628SS**  trans-64.6-18.5-172.127.8-36.1000111.5E17 A21E17-P19 WeakPolarHBondContact O-CD 2.99Å; P19-A21 PolarHBondContact O-N 3.26Å
20F80.6Confident68.6Low70 Ų70109.9 Ų109.931%0.30761%0.614SS.*EExtended strand (participates in β ladder)trans-88.182.6-179.5-53.1-72.5000110.3R18 K30 F31 A32 L37R18-F20 PolarHBondContact O-N 2.76Å; R18-F20 VanDerWaalsContact O-N 3.12Å; F20-K30 CarbonylContact O-C 3.46Å; F20-K30 WeakPolarHBondContact O-CA 3.23Å; F20-F31 HydrophobicContact CB-CB 4.31Å; F20-F31 WeakPolarHBondContact CB-O 3.03Å; F20-F31 PolarHBondContact N-O 3.28Å; F20-F31 PolarHBondContact O-N 3.38Å; F20-A32 WeakPolarHBondContact CD2-O 3.36Å; F20-A32 WeakPolarHBondContact CE2-O 3.3Å; F20-L37 HydrophobicContact CB-CB 3.82Å; F20-L37 HydrophobicContact CB-CD2 3.71Å; F20-L37 HydrophobicContact CB-CG 4.27Å; F20-L37 HydrophobicContact CD1-CD2 4.47Å
21A81.9Confident69.9Low47 Ų47106.8 Ų106.839%0.38858%0.583SS.*EExtended strand (participates in β ladder)trans-84.9146.8172.300000111.8P19 K30 L37P19-A21 PolarHBondContact O-N 3.26Å; A21-K30 HydrophobicContact CB-CG 3.99Å; A21-L37 WeakPolarHBondContact O-CD1 3.34Å; A21-L37 WeakPolarHBondContact O-CD2 3.41Å
22C83.8Confident71.5Confident14 Ų14103.4 Ų103.410%0.09557%0.566CS.*  trans-71127.2169.8-163.90000109.7W24 C27 K29 L37 H40 H41 H44C22-W24 PolarHBondContact O-N 3.43Å; C22-C27 HydrophobicContact CB-CB 4.42Å; C22-K29 VanDerWaalsContact CB-O 3.31Å; C22-K29 WeakPolarHBondContact CB-O 3.45Å; C22-K29 PolarHBondContact N-O 3.47Å; C22-L37 HydrophobicContact CB-CD1 4.23Å; C22-H40 VanDerWaalsContact SG-CD2 3.53Å; C22-H40 PolarHBondContact SG-NE2 3.12Å; C22-H40 VanDerWaalsContact SG-NE2 3.41Å; C22-H41 VanDerWaalsContact SG-CD2 3.59Å; C22-H44 PolarHBondContact SG-CD2 3.18Å; C22-H44 PolarHBondContact SG-NE2 2.73Å
23D80.8Confident73.1Confident153 Ų153107 Ų10782%0.81856%0.559SS**  trans-84.6-0.6179.3-166.7-118000112.7Q25D23-Q25 PolarHBondContact O-N 2.6Å
24W76.5Confident74.3Confident139 Ų139105.4 Ų105.453%0.52754%0.541SS..SBendtrans-75.6123.9-176.7-164.4-81.2000110.3C22 G26 C27 H44 T45C22-W24 PolarHBondContact O-N 3.43Å; W24-G26 PolarHBondContact O-N 2.97Å; W24-C27 HydrophobicContact CB-CB 4.11Å; W24-C27 WeakPolarHBondContact O-CB 3.41Å; W24-C27 PolarHBondContact O-N 3.39Å; W24-H44 HydrophobicContact CD2-CB 3.63Å; W24-H44 AromaticContact CD2-CG 3.83Å; W24-H44 HydrophobicContact CE3-CB 3.59Å; W24-H44 HydrophobicContact CG-CB 4.14Å; W24-H44 AromaticContact CG-CD2 3.87Å; W24-H44 AromaticContact CG-CG 3.77Å; W24-H44 HydrophobicContact CH2-CB 4.3Å; W24-H44 HydrophobicContact CZ2-CB 4.35Å; W24-H44 HydrophobicContact CZ3-CB 3.94Å; W24-T45 HydrophobicContact CZ3-CG2 4.46Å
25Q72.3Confident75.7Confident191 Ų191103.4 Ų103.489%0.89354%0.535SS*.THydrogen-bonded Turntrans-61.3122.6-178.6-160.3169.141.600110.7D23D23-Q25 PolarHBondContact O-N 2.6Å
26G79.3Confident77.4Confident77 Ų7793.1 Ų93.179%0.79450%0.498SS*.THydrogen-bonded Turntrans88.510.6-172.400000115W24W24-G26 PolarHBondContact O-N 2.97Å
27C79.2Confident78.8Confident19 Ų1991.6 Ų91.613%0.12848%0.477CS..  trans-123.299.6174.1-162.60000113.5C22 W24 K29 H40 H44C22-C27 HydrophobicContact CB-CB 4.42Å; W24-C27 HydrophobicContact CB-CB 4.11Å; W24-C27 WeakPolarHBondContact O-CB 3.41Å; W24-C27 PolarHBondContact O-N 3.39Å; C27-K29 PolarHBondContact O-N 2.91Å; C27-K29 VanDerWaalsContact O-N 3.1Å; C27-H40 PolarHBondContact SG-NE2 3.41Å; C27-H44 PolarHBondContact SG-CE1 3.34Å; C27-H44 PolarHBondContact SG-NE2 3.38Å
28D77Confident79.8Confident152 Ų15286.1 Ų86.181%0.81346%0.46SS*.  trans-82.724.9-179.6-61.8-85.8000115
29K81Confident80.5Confident119 Ų11985.6 Ų85.652%0.51746%0.458SS..  trans-82.9125.7-177.5-75.2173.8175.2178.30111C22 C27 F31 H40C22-K29 VanDerWaalsContact CB-O 3.31Å; C22-K29 WeakPolarHBondContact CB-O 3.45Å; C22-K29 PolarHBondContact N-O 3.47Å; C27-K29 PolarHBondContact O-N 2.91Å; C27-K29 VanDerWaalsContact O-N 3.1Å; K29-F31 HydrophobicContact CB-CE2 3.87Å; K29-F31 HydrophobicContact CB-CZ 4.02Å; K29-H40 VanDerWaalsContact CD-CE1 3.4Å; K29-H40 WeakPolarHBondContact CD-CE1 3.47Å
30K83.5Confident81Confident97 Ų9781.9 Ų81.942%0.42243%0.432SS..EExtended strand (participates in β ladder)trans-110.7157.2173.8-54.6-176.1-179178.40110.2R18 F20 A21R18-K30 HydrophobicContact CB-CB 3.75Å; R18-K30 PolarHBondContact NE-O 3.38Å; R18-K30 PolarHBondContact NH2-O 2.97Å; F20-K30 CarbonylContact O-C 3.46Å; F20-K30 WeakPolarHBondContact O-CA 3.23Å; A21-K30 HydrophobicContact CB-CG 3.99Å
31F84.9Confident80.9Confident28 Ų2881.9 Ų81.912%0.12343%0.433CS..EExtended strand (participates in β ladder)trans-138.5150.1-179.4-60.5-88.2000110.7R18 F20 K29 R33 E36 L37 H40R18-F31 CarbonylContact C-O 3.32Å; R18-F31 WeakPolarHBondContact CA-O 3.18Å; R18-F31 VanDerWaalsContact CB-O 3.23Å; R18-F31 WeakPolarHBondContact CB-O 3.46Å; F20-F31 HydrophobicContact CB-CB 4.31Å; F20-F31 WeakPolarHBondContact CB-O 3.03Å; F20-F31 PolarHBondContact N-O 3.28Å; F20-F31 PolarHBondContact O-N 3.38Å; K29-F31 HydrophobicContact CB-CE2 3.87Å; K29-F31 HydrophobicContact CB-CZ 4.02Å; F31-R33 VanDerWaalsContact C-N 3.33Å; F31-E36 HydrophobicContact CB-CB 3.95Å; F31-E36 HydrophobicContact CD1-CB 3.69Å; F31-E36 HydrophobicContact CG-CB 4.03Å; F31-L37 HydrophobicContact CB-CB 4.32Å; F31-L37 HydrophobicContact CD2-CB 4Å; F31-L37 HydrophobicContact CD2-CD1 3.67Å; F31-L37 HydrophobicContact CD2-CG 4.49Å; F31-L37 HydrophobicContact CE2-CD1 4.05Å; F31-L37 HydrophobicContact CG-CB 4.39Å; F31-H40 HydrophobicContact CD2-CB 4.48Å; F31-H40 HydrophobicContact CE1-CB 4.17Å; F31-H40 HydrophobicContact CE2-CB 3.58Å; F31-H40 AromaticContact CE2-CD2 3.3Å; F31-H40 WeakPolarHBondContact CE2-CD2 3.4Å; F31-H40 AromaticContact CE2-CG 3.5Å; F31-H40 VanDerWaalsContact CE2-CG 3.5Å; F31-H40 HydrophobicContact CZ-CB 3.38Å; F31-H40 AromaticContact CZ-CD2 3.62Å; F31-H40 AromaticContact CZ-CG 3.34Å
32A83.5Confident80.6Confident59 Ų5983.9 Ų83.949%0.48843%0.431SS..SBendtrans-77.4-23.2178.600000112.1R18 F20R18-A32 HydrophobicContact CG-CB 4.38Å; F20-A32 WeakPolarHBondContact CD2-O 3.36Å; F20-A32 WeakPolarHBondContact CE2-O 3.3Å
33R83.7Confident80.2Confident144 Ų14487.4 Ų87.454%0.54345%0.452SS..SBendtrans-130.1152.2-179-60.3175.9-87.4-166.7-11112.7F31 D35 E36 L37F31-R33 VanDerWaalsContact C-N 3.33Å; R33-D35 WeakPolarHBondContact CB-OD1 3.39Å; R33-E36 HydrophobicContact CB-CG 4.4Å; R33-E36 IonicContact CZ-OE2 3.41Å; R33-E36 IonicContact NE-OE2 3.24Å; R33-E36 PolarHBondContact NE-OE2 2.77Å; R33-E36 IonicContact NH2-OE2 3.26Å; R33-E36 PolarHBondContact NH2-OE2 2.85Å; R33-E36 PolarHBondContact O-N 3.1Å; R33-L37 PolarHBondContact O-N 3.33Å
34S78.9Confident80Confident69 Ų6982.7 Ų82.748%0.48343%0.425SS..Hα-helixtrans-67.3-33.2179.856.30000112.9E36 L37 A38S34-E36 VanDerWaalsContact C-N 3.32Å; S34-E36 PolarHBondContact O-N 3.12Å; S34-L37 PolarHBondContact O-N 2.83Å; S34-A38 VanDerWaalsContact O-CB 3.3Å; S34-A38 WeakPolarHBondContact O-CB 3.47Å; S34-A38 PolarHBondContact O-N 2.85Å
35D80.1Confident79.7Confident91 Ų9179.5 Ų79.549%0.48742%0.421SS..Hα-helixtrans-66.2-35.2177.260.3-69.3000112.1R33 R39R33-D35 WeakPolarHBondContact CB-OD1 3.39Å; D35-R39 WeakPolarHBondContact O-CB 3.31Å; D35-R39 PolarHBondContact O-N 3.46Å
36E83.7Confident79.4Confident43 Ų4373 Ų7320%0.20141%0.405CS..Hα-helixtrans-69.5-43.4175.9-66-179.877.600111.4F31 R33 S34 R39 H40F31-E36 HydrophobicContact CB-CB 3.95Å; F31-E36 HydrophobicContact CD1-CB 3.69Å; F31-E36 HydrophobicContact CG-CB 4.03Å; R33-E36 HydrophobicContact CB-CG 4.4Å; R33-E36 IonicContact CZ-OE2 3.41Å; R33-E36 IonicContact NE-OE2 3.24Å; R33-E36 PolarHBondContact NE-OE2 2.77Å; R33-E36 IonicContact NH2-OE2 3.26Å; R33-E36 PolarHBondContact NH2-OE2 2.85Å; R33-E36 PolarHBondContact O-N 3.1Å; S34-E36 VanDerWaalsContact C-N 3.32Å; S34-E36 PolarHBondContact O-N 3.12Å; E36-R39 PolarHBondContact O-N 3.48Å; E36-H40 WeakPolarHBondContact O-CB 3.3Å; E36-H40 PolarHBondContact O-N 2.93Å
37L84.7Confident78.4Confident22 Ų2271.6 Ų71.612%0.11538%0.378CS..Hα-helixtrans-62.3-47173.5179.468.6000111.5F20 A21 C22 F31 R33 S34 R39 H40 H41F20-L37 HydrophobicContact CB-CB 3.82Å; F20-L37 HydrophobicContact CB-CD2 3.71Å; F20-L37 HydrophobicContact CB-CG 4.27Å; F20-L37 HydrophobicContact CD1-CD2 4.47Å; A21-L37 WeakPolarHBondContact O-CD1 3.34Å; A21-L37 WeakPolarHBondContact O-CD2 3.41Å; C22-L37 HydrophobicContact CB-CD1 4.23Å; F31-L37 HydrophobicContact CB-CB 4.32Å; F31-L37 HydrophobicContact CD2-CB 4Å; F31-L37 HydrophobicContact CD2-CD1 3.67Å; F31-L37 HydrophobicContact CD2-CG 4.49Å; F31-L37 HydrophobicContact CE2-CD1 4.05Å; F31-L37 HydrophobicContact CG-CB 4.39Å; R33-L37 PolarHBondContact O-N 3.33Å; S34-L37 PolarHBondContact O-N 2.83Å; L37-R39 VanDerWaalsContact C-N 3.27Å; L37-R39 PolarHBondContact O-N 2.84Å; L37-H40 CarbonylContact O-C 3.44Å; L37-H40 WeakPolarHBondContact O-CA 3.31Å; L37-H40 WeakPolarHBondContact O-CB 3.4Å; L37-H40 PolarHBondContact O-N 3.03Å; L37-H41 VanDerWaalsContact CD1-NE2 3.31Å; L37-H41 WeakPolarHBondContact CD1-NE2 3.27Å; L37-H41 PolarHBondContact O-N 3.33Å
38A81.5Confident77.8Confident50 Ų5075.3 Ų75.341%0.41339%0.392SS..Hα-helixtrans-61.5-36.7178.600000112.1S34S34-A38 VanDerWaalsContact O-CB 3.3Å; S34-A38 WeakPolarHBondContact O-CB 3.47Å; S34-A38 PolarHBondContact O-N 2.85Å
39R78.9Confident77.5Confident120 Ų12072.6 Ų72.645%0.45337%0.37SS..Hα-helixtrans-68.5-39.5172.7-174.8178.566.4172.4-1.3111.6D35 E36 L37 R42D35-R39 WeakPolarHBondContact O-CB 3.31Å; D35-R39 PolarHBondContact O-N 3.46Å; E36-R39 PolarHBondContact O-N 3.48Å; L37-R39 VanDerWaalsContact C-N 3.27Å; L37-R39 PolarHBondContact O-N 2.84Å; R39-R42 WeakPolarHBondContact O-CB 3.46Å; R39-R42 PolarHBondContact O-N 3.1Å
40H84.3Confident77.1Confident15 Ų1568.3 Ų68.37%0.06935%0.351CS..Hα-helixtrans-65.9-41.1177.1174.752.3000112.4C22 C27 K29 F31 E36 L37 R42 T43 H44C22-H40 VanDerWaalsContact SG-CD2 3.53Å; C22-H40 PolarHBondContact SG-NE2 3.12Å; C22-H40 VanDerWaalsContact SG-NE2 3.41Å; C27-H40 PolarHBondContact SG-NE2 3.41Å; K29-H40 VanDerWaalsContact CD-CE1 3.4Å; K29-H40 WeakPolarHBondContact CD-CE1 3.47Å; F31-H40 HydrophobicContact CD2-CB 4.48Å; F31-H40 HydrophobicContact CE1-CB 4.17Å; F31-H40 HydrophobicContact CE2-CB 3.58Å; F31-H40 AromaticContact CE2-CD2 3.3Å; F31-H40 WeakPolarHBondContact CE2-CD2 3.4Å; F31-H40 AromaticContact CE2-CG 3.5Å; F31-H40 VanDerWaalsContact CE2-CG 3.5Å; F31-H40 HydrophobicContact CZ-CB 3.38Å; F31-H40 AromaticContact CZ-CD2 3.62Å; F31-H40 AromaticContact CZ-CG 3.34Å; E36-H40 WeakPolarHBondContact O-CB 3.3Å; E36-H40 PolarHBondContact O-N 2.93Å; L37-H40 CarbonylContact O-C 3.44Å; L37-H40 WeakPolarHBondContact O-CA 3.31Å; L37-H40 WeakPolarHBondContact O-CB 3.4Å; L37-H40 PolarHBondContact O-N 3.03Å; H40-R42 PolarHBondContact O-N 2.74Å; H40-R42 VanDerWaalsContact O-N 3.1Å; H40-T43 PolarHBondContact ND1-OG1 3.46Å; H40-T43 WeakPolarHBondContact O-CB 3.48Å; H40-T43 PolarHBondContact O-N 3.4Å; H40-T43 PolarHBondContact O-OG1 3.19Å; H40-H44 AromaticContact CD2-NE2 3.96Å; H40-H44 AromaticContact CE1-CE1 3.83Å; H40-H44 AromaticContact CE1-NE2 3.35Å; H40-H44 PolarHBondContact CE1-NE2 3.33Å; H40-H44 AromaticContact NE2-CD2 3.89Å; H40-H44 AromaticContact NE2-CE1 3.91Å; H40-H44 AromaticContact NE2-NE2 3.07Å; H40-H44 PolarHBondContact NE2-NE2 2.91Å
41H78.8Confident76.8Confident70 Ų7066.5 Ų66.532%0.32435%0.351SS..Hα-helixtrans-56-32.3176.5-73.9-174.5000112.9C22 L37 T43 H44 T45C22-H41 VanDerWaalsContact SG-CD2 3.59Å; L37-H41 VanDerWaalsContact CD1-NE2 3.31Å; L37-H41 WeakPolarHBondContact CD1-NE2 3.27Å; L37-H41 PolarHBondContact O-N 3.33Å; H41-T43 PolarHBondContact O-N 3.07Å; H41-H44 PolarHBondContact O-N 3.35Å; H41-H44 VanDerWaalsContact O-N 3.14Å; H41-T45 PolarHBondContact O-N 3.24Å
42R75.8Confident76.5Confident90 Ų9065.1 Ų65.134%0.3435%0.345SS..Hα-helixtrans-65.1-17.8175-61.2176.4-174.9174.63.9113.8R39 H40 G46R39-R42 WeakPolarHBondContact O-CB 3.46Å; R39-R42 PolarHBondContact O-N 3.1Å; H40-R42 PolarHBondContact O-N 2.74Å; H40-R42 VanDerWaalsContact O-N 3.1Å; R42-G46 PolarHBondContact O-N 3.39Å
43T76.3Confident76Confident88 Ų8866.3 Ų66.354%0.5435%0.348SS..Hα-helixtrans-77.6-29.117567.40000112.2H40 H41H40-T43 PolarHBondContact ND1-OG1 3.46Å; H40-T43 WeakPolarHBondContact O-CB 3.48Å; H40-T43 PolarHBondContact O-N 3.4Å; H40-T43 PolarHBondContact O-OG1 3.19Å; H41-T43 PolarHBondContact O-N 3.07Å
44H76.4Confident75.7Confident53 Ų5364 Ų6425%0.24535%0.345CS..Hα-helixtrans-77.6-43.2177.6-65.3-49.8000111.9C22 W24 C27 H40 H41 G46C22-H44 PolarHBondContact SG-CD2 3.18Å; C22-H44 PolarHBondContact SG-NE2 2.73Å; W24-H44 HydrophobicContact CD2-CB 3.63Å; W24-H44 AromaticContact CD2-CG 3.83Å; W24-H44 HydrophobicContact CE3-CB 3.59Å; W24-H44 HydrophobicContact CG-CB 4.14Å; W24-H44 AromaticContact CG-CD2 3.87Å; W24-H44 AromaticContact CG-CG 3.77Å; W24-H44 HydrophobicContact CH2-CB 4.3Å; W24-H44 HydrophobicContact CZ2-CB 4.35Å; W24-H44 HydrophobicContact CZ3-CB 3.94Å; C27-H44 PolarHBondContact SG-CE1 3.34Å; C27-H44 PolarHBondContact SG-NE2 3.38Å; H40-H44 AromaticContact CD2-NE2 3.96Å; H40-H44 AromaticContact CE1-CE1 3.83Å; H40-H44 AromaticContact CE1-NE2 3.35Å; H40-H44 PolarHBondContact CE1-NE2 3.33Å; H40-H44 AromaticContact NE2-CD2 3.89Å; H40-H44 AromaticContact NE2-CE1 3.91Å; H40-H44 AromaticContact NE2-NE2 3.07Å; H40-H44 PolarHBondContact NE2-NE2 2.91Å; H41-H44 PolarHBondContact O-N 3.35Å; H41-H44 VanDerWaalsContact O-N 3.14Å; H44-G46 PolarHBondContact O-N 3.47Å
45T70.8Confident75.9Confident73 Ų7363.1 Ų63.145%0.44834%0.339SS..SBendtrans-74.8-8.1179.460.60000113.5W24 H41 E47W24-T45 HydrophobicContact CZ3-CG2 4.46Å; H41-T45 PolarHBondContact O-N 3.24Å; T45-E47 PolarHBondContact O-N 3.08Å; T45-E47 WeakPolarHBondContact OG1-CG 3.41Å
46G64.4Low75.6Confident54 Ų5463.1 Ų63.156%0.55735%0.346SS*.  trans59.614-175.500000113.5R42 H44 K48R42-G46 PolarHBondContact O-N 3.39Å; H44-G46 PolarHBondContact O-N 3.47Å; G46-K48 VanDerWaalsContact C-N 3.31Å; G46-K48 PolarHBondContact O-N 3.48Å
47E59.9Low75.4Confident48 Ų4867.2 Ų67.222%0.22436%0.363CS..  trans-70.885.8-174.7-79.6-159.6118.900110.4T45 R49 T88T45-E47 PolarHBondContact O-N 3.08Å; T45-E47 WeakPolarHBondContact OG1-CG 3.41Å; E47-R49 VanDerWaalsContact C-N 3.28Å; E47-R49 HydrophobicContact CB-CG 4.22Å; E47-R49 PolarHBondContact O-N 2.82Å; E47-R49 IonicContact OE1-NH2 3.12Å; E47-R49 IonicContact OE2-CZ 2.76Å; E47-R49 IonicContact OE2-NE 3.48Å; E47-R49 PolarHBondContact OE2-NE 2.78Å; E47-R49 IonicContact OE2-NH2 3.42Å; E47-R49 PolarHBondContact OE2-NH2 3.26Å; E47-T88 WeakPolarHBondContact OE1-CB 3.46Å; E47-T88 WeakPolarHBondContact OE1-CG2 3.44Å; E47-T88 PolarHBondContact OE1-OG1 3.32Å
48K66.9Low75.2Confident97 Ų9773 Ų7342%0.42238%0.383SS..  trans-76.787.8164.8-70.3170.1158.6-152.40108.5G46 F50 R58 F59 T60G46-K48 VanDerWaalsContact C-N 3.31Å; G46-K48 PolarHBondContact O-N 3.48Å; K48-F50 VanDerWaalsContact C-N 3.3Å; K48-R58 HydrophobicContact CB-CB 3.4Å; K48-R58 VanDerWaalsContact CB-CB 3.4Å; K48-R58 HydrophobicContact CD-CB 3.76Å; K48-R58 VanDerWaalsContact CD-O 3.25Å; K48-R58 WeakPolarHBondContact CD-O 3.12Å; K48-R58 WeakPolarHBondContact CE-O 3.26Å; K48-R58 HydrophobicContact CG-CB 4.19Å; K48-R58 PolarHBondContact NZ-O 3.14Å; K48-R58 PolarHBondContact O-NE 3.03Å; K48-R58 VanDerWaalsContact O-NE 3.09Å; K48-R58 PolarHBondContact O-NH2 3.49Å; K48-F59 CarbonylContact C-O 3.52Å; K48-F59 WeakPolarHBondContact CA-O 3.31Å; K48-T60 HydrophobicContact CG-CG2 3.86Å
49R69Low75Confident94 Ų9472.7 Ų72.736%0.35537%0.373SS..  trans-70-24.1-177.8-68.3177.8164.2-113.9-9.8113.4E47 F59 P83E47-R49 VanDerWaalsContact C-N 3.28Å; E47-R49 HydrophobicContact CB-CG 4.22Å; E47-R49 PolarHBondContact O-N 2.82Å; E47-R49 IonicContact OE1-NH2 3.12Å; E47-R49 IonicContact OE2-CZ 2.76Å; E47-R49 IonicContact OE2-NE 3.48Å; E47-R49 PolarHBondContact OE2-NE 2.78Å; E47-R49 IonicContact OE2-NH2 3.42Å; E47-R49 PolarHBondContact OE2-NH2 3.26Å; R49-F59 PolarHBondContact N-O 3.05Å; R49-P83 WeakPolarHBondContact O-CG 3.36Å
50F72.8Confident74.9Confident29 Ų2969.6 Ų69.613%0.12737%0.367CS..EExtended strand (participates in β ladder)trans-103.4103.7-176-60.6-78.4000109.5K48 R58 F59 R61 L65K48-F50 VanDerWaalsContact C-N 3.3Å; F50-R58 CarbonylContact O-C 3.55Å; F50-R58 WeakPolarHBondContact O-CA 3.41Å; F50-F59 HydrophobicContact CB-CB 4.22Å; F50-F59 WeakPolarHBondContact CB-O 3.41Å; F50-F59 PolarHBondContact N-O 3.39Å; F50-F59 PolarHBondContact O-N 3.21Å; F50-R61 VanDerWaalsContact CD2-C 3.42Å; F50-L65 HydrophobicContact CB-CB 4.04Å; F50-L65 HydrophobicContact CB-CD2 3.76Å; F50-L65 HydrophobicContact CB-CG 4.44Å
51S76.9Confident74.4Confident59 Ų5973.1 Ų73.141%0.41338%0.38SS..EExtended strand (participates in β ladder)trans-98.8139175.8-166.30000110.7
52C79.9Confident74.4Confident0 Ų072.4 Ų72.40%038%0.383CS..  trans-76.4121.2170.9-173.10000109.5L54 C55 S56 K57 F59 L65 H68 H72C52-L54 PolarHBondContact O-N 3.2Å; C52-C55 VanDerWaalsContact SG-SG 3.64Å; C52-S56 WeakPolarHBondContact O-CA 3.46Å; C52-S56 PolarHBondContact O-N 3.43Å; C52-K57 HydrophobicContact CB-CB 4.4Å; C52-K57 WeakPolarHBondContact CB-O 3.45Å; C52-K57 PolarHBondContact N-O 3.18Å; C52-F59 HydrophobicContact CB-CE2 4.41Å; C52-L65 HydrophobicContact CB-CD1 3.59Å; C52-H68 PolarHBondContact SG-NE2 3.45Å; C52-H68 VanDerWaalsContact SG-NE2 3.42Å; C52-H72 PolarHBondContact SG-NE2 2.88Å
53P72.8Confident74.7Confident84 Ų8470.6 Ų70.655%0.54538%0.38SS..THydrogen-bonded Turntrans-69-19.4-179.927.5-33.7000113.1
54L77Confident75.1Confident94 Ų9470 Ų7049%0.49237%0.371SS..THydrogen-bonded Turntrans-88.6-28.2-175.1-62.1174.7000113.7C52 H72 F75C52-L54 PolarHBondContact O-N 3.2Å; L54-H72 HydrophobicContact CD1-CB 3.38Å; L54-F75 HydrophobicContact CD1-CB 3.83Å; L54-F75 HydrophobicContact CD1-CD2 3.88Å; L54-F75 HydrophobicContact CD1-CG 4.32Å
55C83.4Confident75.5Confident51 Ų5167.7 Ų67.735%0.34536%0.36SS..THydrogen-bonded Turntrans-140.810.1-176.668.30000113.8C52 K57 H68 H72C52-C55 VanDerWaalsContact SG-SG 3.64Å; C55-K57 PolarHBondContact O-N 3.47Å; C55-H68 PolarHBondContact SG-NE2 3.47Å; C55-H72 PolarHBondContact SG-NE2 3.23Å
56S74.8Confident76Confident91 Ų9165.6 Ų65.664%0.63635%0.351SS*.  trans55.913.9178.9-59.10000115.2C52 R58C52-S56 WeakPolarHBondContact O-CA 3.46Å; C52-S56 PolarHBondContact O-N 3.43Å; S56-R58 PolarHBondContact O-N 3.33Å
57K78.9Confident77Confident129 Ų12969.1 Ų69.156%0.56135%0.35SS*.  trans-67.9129174.1-81.5-176.8175.9-174.10110C52 C55 F59C52-K57 HydrophobicContact CB-CB 4.4Å; C52-K57 WeakPolarHBondContact CB-O 3.45Å; C52-K57 PolarHBondContact N-O 3.18Å; C55-K57 PolarHBondContact O-N 3.47Å; K57-F59 HydrophobicContact CB-CE2 3.72Å; K57-F59 HydrophobicContact CB-CZ 4.09Å; K57-F59 WeakPolarHBondContact O-CD2 3.28Å; K57-F59 WeakPolarHBondContact O-CE2 3.29Å
58R79Confident78.3Confident144 Ų14468.7 Ų68.754%0.54335%0.348SS..EExtended strand (participates in β ladder)trans-101.5136.7-177.1-51.7179.666.8156.40.1111.3K48 F50 S56K48-R58 HydrophobicContact CB-CB 3.4Å; K48-R58 VanDerWaalsContact CB-CB 3.4Å; K48-R58 HydrophobicContact CD-CB 3.76Å; K48-R58 VanDerWaalsContact CD-O 3.25Å; K48-R58 WeakPolarHBondContact CD-O 3.12Å; K48-R58 WeakPolarHBondContact CE-O 3.26Å; K48-R58 HydrophobicContact CG-CB 4.19Å; K48-R58 PolarHBondContact NZ-O 3.14Å; K48-R58 PolarHBondContact O-NE 3.03Å; K48-R58 VanDerWaalsContact O-NE 3.09Å; K48-R58 PolarHBondContact O-NH2 3.49Å; F50-R58 CarbonylContact O-C 3.55Å; F50-R58 WeakPolarHBondContact O-CA 3.41Å; S56-R58 PolarHBondContact O-N 3.33Å
59F79.3Confident78.9Confident44 Ų4464.1 Ų64.119%0.19333%0.328CS..EExtended strand (participates in β ladder)trans-126.3151-177.4-60.7-92.6000110.3K48 R49 F50 C52 K57 H64 L65 H68K48-F59 CarbonylContact C-O 3.52Å; K48-F59 WeakPolarHBondContact CA-O 3.31Å; R49-F59 PolarHBondContact N-O 3.05Å; F50-F59 HydrophobicContact CB-CB 4.22Å; F50-F59 WeakPolarHBondContact CB-O 3.41Å; F50-F59 PolarHBondContact N-O 3.39Å; F50-F59 PolarHBondContact O-N 3.21Å; C52-F59 HydrophobicContact CB-CE2 4.41Å; K57-F59 HydrophobicContact CB-CE2 3.72Å; K57-F59 HydrophobicContact CB-CZ 4.09Å; K57-F59 WeakPolarHBondContact O-CD2 3.28Å; K57-F59 WeakPolarHBondContact O-CE2 3.29Å; F59-H64 HydrophobicContact CD1-CB 3.97Å; F59-L65 HydrophobicContact CB-CB 4.17Å; F59-L65 HydrophobicContact CD2-CB 3.99Å; F59-L65 HydrophobicContact CD2-CD1 3.39Å; F59-L65 HydrophobicContact CD2-CG 4.27Å; F59-L65 HydrophobicContact CE2-CD1 3.65Å; F59-L65 HydrophobicContact CG-CB 4.16Å; F59-L65 HydrophobicContact CG-CD1 4.38Å; F59-H68 HydrophobicContact CE1-CB 3.87Å; F59-H68 HydrophobicContact CE2-CB 4.02Å; F59-H68 AromaticContact CE2-CD2 3.41Å; F59-H68 VanDerWaalsContact CE2-CD2 3.41Å; F59-H68 WeakPolarHBondContact CE2-CD2 3.4Å; F59-H68 AromaticContact CE2-CG 3.65Å; F59-H68 HydrophobicContact CZ-CB 3.44Å; F59-H68 VanDerWaalsContact CZ-CB 3.44Å; F59-H68 AromaticContact CZ-CD2 3.48Å; F59-H68 VanDerWaalsContact CZ-CD2 3.48Å; F59-H68 WeakPolarHBondContact CZ-CD2 3.48Å; F59-H68 AromaticContact CZ-CG 3.19Å; F59-H68 AromaticContact CZ-ND1 3.65Å
60T74.9Confident79.6Confident55 Ų5568.2 Ų68.234%0.33734%0.344SS..SBendtrans-85.1-19.9177.650.40000112.7K48K48-T60 HydrophobicContact CG-CG2 3.86Å
61R75.3Confident80.1Confident89 Ų8977.5 Ų77.534%0.33638%0.378SS..SBendtrans-130.1145.1-178.4-55.9170.747.11743.4111.9F50 D63 H64 L65F50-R61 VanDerWaalsContact CD2-C 3.42Å; R61-D63 VanDerWaalsContact CB-OD1 3.27Å; R61-D63 WeakPolarHBondContact CB-OD1 3.18Å; R61-D63 IonicContact CZ-OD1 2.91Å; R61-D63 VanDerWaalsContact CZ-OD1 3.24Å; R61-D63 IonicContact CZ-OD2 2.93Å; R61-D63 IonicContact NE-OD1 3.23Å; R61-D63 PolarHBondContact NE-OD1 3.17Å; R61-D63 IonicContact NE-OD2 3.52Å; R61-D63 PolarHBondContact NE-OD2 3.21Å; R61-D63 VanDerWaalsContact NH2-CG 3.28Å; R61-D63 IonicContact NH2-OD1 3.64Å; R61-D63 PolarHBondContact NH2-OD1 3.29Å; R61-D63 IonicContact NH2-OD2 2.77Å; R61-D63 PolarHBondContact NH2-OD2 2.85Å; R61-D63 VanDerWaalsContact NH2-OD2 3.12Å; R61-H64 VanDerWaalsContact CD-CD2 3.48Å; R61-H64 WeakPolarHBondContact CD-CD2 3.38Å; R61-H64 PolarHBondContact O-N 2.74Å; R61-L65 PolarHBondContact O-N 3.25Å
62S78.9Confident80.3Confident55 Ų5577 Ų7739%0.38537%0.369SS..Hα-helixtrans-64.3-38.7176.550.10000112.1H64 L65 A66S62-H64 VanDerWaalsContact C-N 3.33Å; S62-H64 PolarHBondContact O-N 2.78Å; S62-L65 PolarHBondContact O-N 3.37Å; S62-A66 WeakPolarHBondContact O-CB 3.28Å; S62-A66 PolarHBondContact O-N 3.16Å
63D81.4Confident80.1Confident51 Ų5183.1 Ų83.127%0.27341%0.409SS..Hα-helixtrans-65-36.218062.2-85.1000112.6R61 K67R61-D63 VanDerWaalsContact CB-OD1 3.27Å; R61-D63 WeakPolarHBondContact CB-OD1 3.18Å; R61-D63 IonicContact CZ-OD1 2.91Å; R61-D63 VanDerWaalsContact CZ-OD1 3.24Å; R61-D63 IonicContact CZ-OD2 2.93Å; R61-D63 IonicContact NE-OD1 3.23Å; R61-D63 PolarHBondContact NE-OD1 3.17Å; R61-D63 IonicContact NE-OD2 3.52Å; R61-D63 PolarHBondContact NE-OD2 3.21Å; R61-D63 VanDerWaalsContact NH2-CG 3.28Å; R61-D63 IonicContact NH2-OD1 3.64Å; R61-D63 PolarHBondContact NH2-OD1 3.29Å; R61-D63 IonicContact NH2-OD2 2.77Å; R61-D63 PolarHBondContact NH2-OD2 2.85Å; R61-D63 VanDerWaalsContact NH2-OD2 3.12Å; D63-K67 WeakPolarHBondContact O-CB 2.99Å; D63-K67 WeakPolarHBondContact O-CG 3.45Å; D63-K67 PolarHBondContact O-N 3.41Å
64H83.9Confident79.9Confident77 Ų7783 Ų8336%0.35642%0.423SS..Hα-helixtrans-69.5-41.4172.9-68.1-53.8000111.9F59 R61 S62 K67 H68F59-H64 HydrophobicContact CD1-CB 3.97Å; R61-H64 VanDerWaalsContact CD-CD2 3.48Å; R61-H64 WeakPolarHBondContact CD-CD2 3.38Å; R61-H64 PolarHBondContact O-N 2.74Å; S62-H64 VanDerWaalsContact C-N 3.33Å; S62-H64 PolarHBondContact O-N 2.78Å; H64-K67 PolarHBondContact O-N 3.27Å; H64-H68 VanDerWaalsContact O-CB 3.26Å; H64-H68 WeakPolarHBondContact O-CB 3.18Å; H64-H68 PolarHBondContact O-N 3.05Å
65L85.1Confident79.3Confident4 Ų479.8 Ų79.82%0.02141%0.405CS..Hα-helixtrans-62.9-45.3175.217966.9000110.9F50 C52 F59 R61 S62 K67 H68 A69 L80F50-L65 HydrophobicContact CB-CB 4.04Å; F50-L65 HydrophobicContact CB-CD2 3.76Å; F50-L65 HydrophobicContact CB-CG 4.44Å; C52-L65 HydrophobicContact CB-CD1 3.59Å; F59-L65 HydrophobicContact CB-CB 4.17Å; F59-L65 HydrophobicContact CD2-CB 3.99Å; F59-L65 HydrophobicContact CD2-CD1 3.39Å; F59-L65 HydrophobicContact CD2-CG 4.27Å; F59-L65 HydrophobicContact CE2-CD1 3.65Å; F59-L65 HydrophobicContact CG-CB 4.16Å; F59-L65 HydrophobicContact CG-CD1 4.38Å; R61-L65 PolarHBondContact O-N 3.25Å; S62-L65 PolarHBondContact O-N 3.37Å; L65-K67 PolarHBondContact O-N 2.92Å; L65-H68 WeakPolarHBondContact O-CB 3.22Å; L65-H68 PolarHBondContact O-N 2.75Å; L65-A69 WeakPolarHBondContact O-CB 3.25Å; L65-A69 PolarHBondContact O-N 2.91Å; L65-L80 HydrophobicContact CB-CD1 4.29Å; L65-L80 HydrophobicContact CD2-CD1 3.35Å; L65-L80 HydrophobicContact CD2-CD2 4.19Å; L65-L80 HydrophobicContact CD2-CG 3.67Å; L65-L80 HydrophobicContact CG-CD1 3.53Å; L65-L80 HydrophobicContact CG-CG 4.33Å
66A82.4Confident78.5Confident29 Ų2983.2 Ų83.224%0.2442%0.416CS..Hα-helixtrans-61.2-45.4178.900000111.7S62 A69 R70S62-A66 WeakPolarHBondContact O-CB 3.28Å; S62-A66 PolarHBondContact O-N 3.16Å; A66-A69 PolarHBondContact O-N 3.36Å; A66-R70 WeakPolarHBondContact O-CG 3.48Å; A66-R70 PolarHBondContact O-N 3.47Å; A66-R70 VanDerWaalsContact O-N 3.08Å
67K85.1Confident77.7Confident127 Ų12783 Ų8355%0.55241%0.412SS*.Hα-helixtrans-60.4-46.4173.7-77.3175.5-178.6-178.30112.2D63 H64 L65 A69D63-K67 WeakPolarHBondContact O-CB 2.99Å; D63-K67 WeakPolarHBondContact O-CG 3.45Å; D63-K67 PolarHBondContact O-N 3.41Å; H64-K67 PolarHBondContact O-N 3.27Å; L65-K67 PolarHBondContact O-N 2.92Å; K67-A69 VanDerWaalsContact C-N 3.29Å; K67-A69 PolarHBondContact O-N 3.1Å
68H87.3Confident76.8Confident40 Ų4083.2 Ų83.219%0.18542%0.419CS..Hα-helixtrans-59.1-45.2176.7163.570.9000111.1C52 C55 F59 H64 L65 R70 R71 H72C52-H68 PolarHBondContact SG-NE2 3.45Å; C52-H68 VanDerWaalsContact SG-NE2 3.42Å; C55-H68 PolarHBondContact SG-NE2 3.47Å; F59-H68 HydrophobicContact CE1-CB 3.87Å; F59-H68 HydrophobicContact CE2-CB 4.02Å; F59-H68 AromaticContact CE2-CD2 3.41Å; F59-H68 VanDerWaalsContact CE2-CD2 3.41Å; F59-H68 WeakPolarHBondContact CE2-CD2 3.4Å; F59-H68 AromaticContact CE2-CG 3.65Å; F59-H68 HydrophobicContact CZ-CB 3.44Å; F59-H68 VanDerWaalsContact CZ-CB 3.44Å; F59-H68 AromaticContact CZ-CD2 3.48Å; F59-H68 VanDerWaalsContact CZ-CD2 3.48Å; F59-H68 WeakPolarHBondContact CZ-CD2 3.48Å; F59-H68 AromaticContact CZ-CG 3.19Å; F59-H68 AromaticContact CZ-ND1 3.65Å; H64-H68 VanDerWaalsContact O-CB 3.26Å; H64-H68 WeakPolarHBondContact O-CB 3.18Å; H64-H68 PolarHBondContact O-N 3.05Å; L65-H68 WeakPolarHBondContact O-CB 3.22Å; L65-H68 PolarHBondContact O-N 2.75Å; H68-R70 VanDerWaalsContact C-N 3.35Å; H68-R70 PolarHBondContact O-N 3.07Å; H68-R71 WeakPolarHBondContact O-CB 3.41Å; H68-R71 PolarHBondContact O-N 3.44Å; H68-R71 VanDerWaalsContact O-N 3.1Å; H68-H72 AromaticContact CE1-NE2 3.55Å; H68-H72 AromaticContact NE2-CD2 3.86Å; H68-H72 AromaticContact NE2-NE2 3.12Å; H68-H72 PolarHBondContact NE2-NE2 2.72Å; H68-H72 VanDerWaalsContact NE2-NE2 3.12Å
69A79Confident76Confident0 Ų082 Ų820%042%0.423CS..Hα-helixtrans-75.3-27.6-169.700000112.1L65 A66 K67 R71 H72 F75L65-A69 WeakPolarHBondContact O-CB 3.25Å; L65-A69 PolarHBondContact O-N 2.91Å; A66-A69 PolarHBondContact O-N 3.36Å; K67-A69 VanDerWaalsContact C-N 3.29Å; K67-A69 PolarHBondContact O-N 3.1Å; A69-R71 PolarHBondContact O-N 2.98Å; A69-H72 WeakPolarHBondContact O-CB 3.37Å; A69-H72 PolarHBondContact O-N 2.97Å; A69-F75 VanDerWaalsContact C-CG 3.49Å; A69-F75 HydrophobicContact CB-CD1 3.38Å; A69-F75 HydrophobicContact CB-CD2 3.52Å; A69-F75 HydrophobicContact CB-CE1 3.22Å; A69-F75 HydrophobicContact CB-CE2 3.36Å; A69-F75 HydrophobicContact CB-CG 3.52Å; A69-F75 HydrophobicContact CB-CZ 3.21Å; A69-F75 WeakPolarHBondContact O-CB 3.48Å; A69-F75 VanDerWaalsContact O-CD1 3.29Å; A69-F75 WeakPolarHBondContact O-CD1 3.39Å; A69-F75 WeakPolarHBondContact O-CG 3.23Å
70R82.7Confident75.2Confident181 Ų18182 Ų8268%0.68343%0.425SS*.THydrogen-bonded Turntrans-56.1-19.3166.8-75.5-169.1-70.8-140.76.4114.8A66 H68 H72A66-R70 WeakPolarHBondContact O-CG 3.48Å; A66-R70 PolarHBondContact O-N 3.47Å; A66-R70 VanDerWaalsContact O-N 3.08Å; H68-R70 VanDerWaalsContact C-N 3.35Å; H68-R70 PolarHBondContact O-N 3.07Å; R70-H72 VanDerWaalsContact C-N 3.33Å
71R83.5Confident74.5Confident224 Ų22489.9 Ų89.985%0.84545%0.448SS*.THydrogen-bonded Turntrans-76.4-21.6175.2-173.174.4150.3-146.2-8.7112.2H68 A69H68-R71 WeakPolarHBondContact O-CB 3.41Å; H68-R71 PolarHBondContact O-N 3.44Å; H68-R71 VanDerWaalsContact O-N 3.1Å; A69-R71 PolarHBondContact O-N 2.98Å
72H81.8Confident73.4Confident47 Ų4795.4 Ų95.422%0.21847%0.469CS..SBendtrans-80.6131.8-179.7-70.3-64000110.4C52 L54 C55 H68 A69 R70 G74 F75C52-H72 PolarHBondContact SG-NE2 2.88Å; L54-H72 HydrophobicContact CD1-CB 3.38Å; C55-H72 PolarHBondContact SG-NE2 3.23Å; H68-H72 AromaticContact CE1-NE2 3.55Å; H68-H72 AromaticContact NE2-CD2 3.86Å; H68-H72 AromaticContact NE2-NE2 3.12Å; H68-H72 PolarHBondContact NE2-NE2 2.72Å; H68-H72 VanDerWaalsContact NE2-NE2 3.12Å; A69-H72 WeakPolarHBondContact O-CB 3.37Å; A69-H72 PolarHBondContact O-N 2.97Å; R70-H72 VanDerWaalsContact C-N 3.33Å; H72-G74 PolarHBondContact O-N 3.09Å; H72-F75 HydrophobicContact CB-CB 4.02Å; H72-F75 PolarHBondContact O-N 2.64Å
73P76.1Confident72.3Confident129 Ų12995.7 Ų95.784%0.83847%0.47SS*.THydrogen-bonded Turntrans-63.9123.317227.4-32000108.9
74G68.1Low70.9Confident82 Ų8296 Ų9685%0.84549%0.486SS*.THydrogen-bonded Turntrans86.910.6-18000000115.8H72 H76H72-G74 PolarHBondContact O-N 3.09Å; G74-H76 PolarHBondContact O-N 2.68Å
75F64.9Low69.3Low27 Ų2796.6 Ų96.612%0.11850%0.504CS..  trans-76.3117.1173.4177.4-102.1000112.2L54 A69 H72 P77 L80L54-F75 HydrophobicContact CD1-CB 3.83Å; L54-F75 HydrophobicContact CD1-CD2 3.88Å; L54-F75 HydrophobicContact CD1-CG 4.32Å; A69-F75 VanDerWaalsContact C-CG 3.49Å; A69-F75 HydrophobicContact CB-CD1 3.38Å; A69-F75 HydrophobicContact CB-CD2 3.52Å; A69-F75 HydrophobicContact CB-CE1 3.22Å; A69-F75 HydrophobicContact CB-CE2 3.36Å; A69-F75 HydrophobicContact CB-CG 3.52Å; A69-F75 HydrophobicContact CB-CZ 3.21Å; A69-F75 WeakPolarHBondContact O-CB 3.48Å; A69-F75 VanDerWaalsContact O-CD1 3.29Å; A69-F75 WeakPolarHBondContact O-CD1 3.39Å; A69-F75 WeakPolarHBondContact O-CG 3.23Å; H72-F75 HydrophobicContact CB-CB 4.02Å; H72-F75 PolarHBondContact O-N 2.64Å; F75-P77 HydrophobicContact CE1-CB 4.18Å; F75-L80 HydrophobicContact CE2-CD1 4.4Å; F75-L80 HydrophobicContact CZ-CD1 3.67Å
76H66.4Low67.3Low123 Ų123105.4 Ų105.457%0.56954%0.536SS*.  trans-98.2124.7170.5-155.4-111.7000110G74 D78 L79G74-H76 PolarHBondContact O-N 2.68Å; H76-D78 VanDerWaalsContact ND1-CB 3.31Å; H76-D78 WeakPolarHBondContact ND1-CB 3.48Å; H76-D78 PolarHBondContact O-N 3.23Å; H76-L79 PolarHBondContact O-N 2.96Å; H76-L79 VanDerWaalsContact O-N 3.17Å
77P57.8Low65.6Low85 Ų85109 Ų10955%0.55256%0.56SS**G310 helixtrans-63.3-15.8-175.426.8-35.1000113.9F75 L79 L80F75-P77 HydrophobicContact CE1-CB 4.18Å; P77-L79 VanDerWaalsContact C-N 3.25Å; P77-L79 PolarHBondContact O-N 3.42Å; P77-L80 VanDerWaalsContact O-CB 3.28Å; P77-L80 WeakPolarHBondContact O-CB 3.13Å; P77-L80 PolarHBondContact O-N 3.23Å
78D61.1Low63.5Low134 Ų134106 Ų10672%0.71755%0.552SS**G310 helixtrans-66.4-26.2177.5-159.7-110.9000113H76 L80H76-D78 VanDerWaalsContact ND1-CB 3.31Å; H76-D78 WeakPolarHBondContact ND1-CB 3.48Å; H76-D78 PolarHBondContact O-N 3.23Å; D78-L80 PolarHBondContact O-N 3.12Å
79L60.4Low61.4Low119 Ų119107.8 Ų107.862%0.62357%0.569SS**G310 helixtrans-826176.6-59.8-178.8000113.4H76 P77 R81H76-L79 PolarHBondContact O-N 2.96Å; H76-L79 VanDerWaalsContact O-N 3.17Å; P77-L79 VanDerWaalsContact C-N 3.25Å; P77-L79 PolarHBondContact O-N 3.42Å; L79-R81 PolarHBondContact O-N 2.78Å
80L62.8Low59.7Low43 Ų43113 Ų11323%0.22560%0.603CS.*  trans-72.659.9170.8-143.698.7000109.6L65 F75 P77 D78 R82L65-L80 HydrophobicContact CB-CD1 4.29Å; L65-L80 HydrophobicContact CD2-CD1 3.35Å; L65-L80 HydrophobicContact CD2-CD2 4.19Å; L65-L80 HydrophobicContact CD2-CG 3.67Å; L65-L80 HydrophobicContact CG-CD1 3.53Å; L65-L80 HydrophobicContact CG-CG 4.33Å; F75-L80 HydrophobicContact CE2-CD1 4.4Å; F75-L80 HydrophobicContact CZ-CD1 3.67Å; P77-L80 VanDerWaalsContact O-CB 3.28Å; P77-L80 WeakPolarHBondContact O-CB 3.13Å; P77-L80 PolarHBondContact O-N 3.23Å; D78-L80 PolarHBondContact O-N 3.12Å; L80-R82 PolarHBondContact O-N 2.99Å
81R60.5Low58Low221 Ų221108.2 Ų108.283%0.83460%0.598SS**  trans-51.9105.3175.3177.6174.4154.7-161.2-4.5107.1L79 P83L79-R81 PolarHBondContact O-N 2.78Å; R81-P83 WeakPolarHBondContact O-CD 3.41Å
82R52.8Low56.2Low206 Ų206105.1 Ų105.178%0.77760%0.598SS**  trans-49.2117.4156.8-109.6168.472.2-143.37.4103.8L80 G84L80-R82 PolarHBondContact O-N 2.99Å; R82-G84 PolarHBondContact O-N 2.97Å
83P54.5Low54.8Low60 Ų60107 Ų10739%0.3962%0.617SS.*  trans-58.8105.5162.4-922.4000104.1R49 R81 A85R49-P83 WeakPolarHBondContact O-CG 3.36Å; R81-P83 WeakPolarHBondContact O-CD 3.41Å; P83-A85 PolarHBondContact O-N 3.25Å
84G52.3Low53.5Low59 Ų59108.9 Ų108.961%0.60862%0.619SS**  trans-47.4130167.800000106.2R82 R86R82-G84 PolarHBondContact O-N 2.97Å; G84-R86 VanDerWaalsContact C-N 3.31Å; G84-R86 PolarHBondContact O-N 2.72Å
85A51.4Low53.3Low89 Ų89110.1 Ų110.174%0.73661%0.611SS**  trans-13.885.2-176.900000112.8P83 S87P83-A85 PolarHBondContact O-N 3.25Å; A85-S87 PolarHBondContact O-N 3.48Å
86R43.1Very low52.3Low188 Ų188114.3 Ų114.371%0.70964%0.643SS**  trans-72.8100.5157.7-73.2-173.183.2-117.77.3102.3G84 T88G84-R86 VanDerWaalsContact C-N 3.31Å; G84-R86 PolarHBondContact O-N 2.72Å; R86-T88 PolarHBondContact O-N 3.29Å
87S45.5Very low51.5Low106 Ų106114.5 Ų114.574%0.74166%0.658SS**  trans-43.682.7153-42.40000107.2A85 S89A85-S87 PolarHBondContact O-N 3.48Å; S87-S89 PolarHBondContact O-N 3.14Å; S87-S89 VanDerWaalsContact O-N 3.14Å
88T41.4Very low51.1Low62 Ų62118.4 Ų118.438%0.3867%0.673SS.*  trans-78.684.5150.637.70000103.4E47 R86 P90E47-T88 WeakPolarHBondContact OE1-CB 3.46Å; E47-T88 WeakPolarHBondContact OE1-CG2 3.44Å; E47-T88 PolarHBondContact OE1-OG1 3.32Å; R86-T88 PolarHBondContact O-N 3.29Å; T88-P90 VanDerWaalsContact O-CD 3.22Å; T88-P90 WeakPolarHBondContact O-CD 3.39Å
89S43.1Very low50.5Low78 Ų78116.7 Ų116.755%0.54568%0.678SS.*  trans-33.6121.1161.7-75.40000109.4S87S87-S89 PolarHBondContact O-N 3.14Å; S87-S89 VanDerWaalsContact O-N 3.14Å
90P43.3Very low49.8Very low110 Ų110114.8 Ų114.871%0.71469%0.687SS**  trans-77.710.3142.633-30.5000111.2T88 D92 S93T88-P90 VanDerWaalsContact O-CD 3.22Å; T88-P90 WeakPolarHBondContact O-CD 3.39Å; P90-D92 VanDerWaalsContact C-N 3.28Å; P90-D92 CarbonylContact O-C 3.46Å; P90-D92 PolarHBondContact O-N 3.29Å; P90-S93 WeakPolarHBondContact O-CA 3.35Å; P90-S93 VanDerWaalsContact O-CB 3.23Å; P90-S93 WeakPolarHBondContact O-CB 3.25Å; P90-S93 PolarHBondContact O-N 3.42Å
91S46.4Very low48.9Very low81 Ų81118.2 Ų118.257%0.56672%0.715SS**  trans-80.965.8162.5-65.20000110S93S91-S93 VanDerWaalsContact CA-N 3.29Å
92D46.7Very low48.4Very low158 Ų158113.3 Ų113.385%0.84571%0.712SS**SBend-97.939.596.4-158.6-113.7000115.6P90P90-D92 VanDerWaalsContact C-N 3.28Å; P90-D92 CarbonylContact O-C 3.46Å; P90-D92 PolarHBondContact O-N 3.29Å
93S52.7Low48.4Very low88 Ų88108 Ų10862%0.61571%0.711SS**SBendtrans-134.190.3157.9-650000105.2P90 S91 P95P90-S93 WeakPolarHBondContact O-CA 3.35Å; P90-S93 VanDerWaalsContact O-CB 3.23Å; P90-S93 WeakPolarHBondContact O-CB 3.25Å; P90-S93 PolarHBondContact O-N 3.42Å; S91-S93 VanDerWaalsContact CA-N 3.29Å; S93-P95 VanDerWaalsContact O-CD 3.25Å; S93-P95 WeakPolarHBondContact O-CD 3.14Å
94L49.1Very low48Very low168 Ų168110.9 Ų110.988%0.8873%0.73SS**  trans-52.5122.6160-66.7156.9000107.9
95P63.1Low48.2Very low107 Ų107113.3 Ų113.370%0.69574%0.738SS**  trans-99.1119.515631.8-18.1000107.9S93S93-P95 VanDerWaalsContact O-CD 3.25Å; S93-P95 WeakPolarHBondContact O-CD 3.14Å
96C43.3Very low48.3Very low115 Ų115115.2 Ų115.278%0.77774%0.743SS**  trans155.6112.5138-83.90000110L98C96-L98 PolarHBondContact O-N 3.49Å; C96-L98 VanDerWaalsContact O-N 3.16Å
97S50.4Low49Very low127 Ų127110.3 Ų110.389%0.88874%0.742SS**  trans-26110.5155.2-49.90000113.2
98L49.5Very low49.3Very low167 Ų167111.2 Ų111.287%0.87475%0.746SS**  trans-112.6109.1154.7-106.8127.2000107.2C96C96-L98 PolarHBondContact O-N 3.49Å; C96-L98 VanDerWaalsContact O-N 3.16Å
99A47.7Very low50Low99 Ų99113.9 Ų113.982%0.81877%0.767SS**  trans45.2100.2156.500000117.9
100G45.3Very low50.8Low79 Ų79115.9 Ų115.981%0.81478%0.778SS**  trans-13542160.600000111.2
101S45.5Very low51.5Low114 Ų114115.2 Ų115.280%0.79778%0.782SS**PPolyproline II helixtrans-68129.2163.1-730000108.1A103S101-A103 PolarHBondContact O-N 2.84Å
102P48.8Very low52.1Low119 Ų119117.4 Ų117.477%0.77379%0.794SS**PPolyproline II helixtrans-64.7129.3176.227.3-32.9000109P104P102-P104 VanDerWaalsContact O-CD 3.28Å; P102-P104 WeakPolarHBondContact O-CD 3.41Å
103A52.8Low52.5Low93 Ų93115 Ų11577%0.76980%0.796SS**PPolyproline II helixtrans-59.1123.8169.500000109.2S101 S105S101-A103 PolarHBondContact O-N 2.84Å; A103-S105 PolarHBondContact O-N 2.8Å
104P47Very low52.7Low122 Ų122114.4 Ų114.479%0.79280%0.804SS**PPolyproline II helixtrans-73.5123.9159.129.1-29.4000108.4P102P102-P104 VanDerWaalsContact O-CD 3.28Å; P102-P104 WeakPolarHBondContact O-CD 3.41Å
105S56.8Low52.8Low110 Ų110118.5 Ų118.577%0.76983%0.825SS**  trans-45.2134.8172.7-51.20000112.2A103 A107A103-S105 PolarHBondContact O-N 2.8Å; S105-A107 PolarHBondContact O-N 3.33Å
106P52.2Low52.3Low128 Ų128119.1 Ų119.183%0.83183%0.832SS**PPolyproline II helixtrans-73.2122.9162.128.5-29.9000109.4
107A57.8Low52.7Low85 Ų85119.3 Ų119.370%0.70284%0.835SS**PPolyproline II helixtrans-59.4152.3170.300000111.6S105 S109S105-A107 PolarHBondContact O-N 3.33Å; A107-S109 PolarHBondContact O-N 2.9Å
108P53.5Low52.9Low126 Ų126118.8 Ų118.882%0.81883%0.832SS**PPolyproline II helixtrans-69128.9176.928.3-33.6000111
109S54.2Low53.1Low117 Ų117116 Ų11682%0.81883%0.829SS**PPolyproline II helixtrans-72.8141169.9-730000110.9A107A107-S109 PolarHBondContact O-N 2.9Å
110P60.6Low53.4Low120 Ų120117.1 Ų117.178%0.77983%0.83SS**PPolyproline II helixtrans-78.3142.3-179.931.2-33.5000112.1
111A57.8Low53.9Low97 Ų97119.6 Ų119.680%0.80283%0.831SS**PPolyproline II helixtrans-66.1143.2168.700000111.3
112P59.3Low54.6Low126 Ų126120 Ų12082%0.81883%0.833SS**PPolyproline II helixtrans-92.1137.2156.632-28.2000111.2
113A55.3Low55Low108 Ų108120.1 Ų120.189%0.89384%0.838SS**PPolyproline II helixtrans-78.9155.6169.200000112
114G56.8Low55.2Low75 Ų75122.3 Ų122.377%0.77384%0.844SS**  trans112.6129.1168.500000112.1
115L50.9Low55.9Low254 Ų254122.4 Ų122.4100%1.3385%0.849SS**  cis-141022.4-83.6151.5000110.7

Retrieved 115 of 115 residues in 214.1 ms (Link to these results)