A0A077ZK11_TRITR Loading...

Large ribosomal subunit protein eL6

Component of the large ribosomal subunit. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell.

AlphaFold DB , UniProt , Accession A0A077ZK11, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 262 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
1M36.4Very low46.7Very low249 Ų249186.5 Ų186.5100%1.22787%0.869SS**  098.60-69.8-150.2-95.600110
2A40.9Very low47.9Very low105 Ų105186.8 Ų186.887%0.86887%0.866SS**  trans-79118.7-179.100000110.2E4A2-E4 PolarHBondContact O-N 3.2Å; A2-E4 VanDerWaalsContact O-N 3.07Å
3E44.5Very low49.4Very low164 Ų164181.6 Ų181.677%0.76686%0.859SS**  trans-73.897.9178.1-157.1-175.3-145.300108.9K5 K181E3-K5 PolarHBondContact O-N 3.49Å; E3-K5 VanDerWaalsContact O-N 3.08Å; E3-K181 IonicContact OE2-NZ 2.72Å; E3-K181 PolarHBondContact OE2-NZ 3.27Å
4E44.9Very low51.1Low169 Ų169177.4 Ų177.479%0.7985%0.85SS**  trans-53.4111.1176.5-162.9-173.7-169.300110.2A2 K6A2-E4 PolarHBondContact O-N 3.2Å; A2-E4 VanDerWaalsContact O-N 3.07Å; E4-K6 VanDerWaalsContact C-N 3.31Å; E4-K6 PolarHBondContact O-N 3.03Å
5K48.1Very low53.1Low184 Ų184174.3 Ų174.380%0.883%0.827SS**  trans-68.987.4177.4-73.5175.9-176.1159.80109.1E3 K7E3-K5 PolarHBondContact O-N 3.49Å; E3-K5 VanDerWaalsContact O-N 3.08Å; K5-K7 PolarHBondContact O-N 2.99Å
6K47.8Very low55.3Low183 Ų183164.3 Ų164.380%0.79678%0.78SS**  trans-52.4102.8165.1-78.1-175.1176.1178.40109.2E4 K8E4-K6 VanDerWaalsContact C-N 3.31Å; E4-K6 PolarHBondContact O-N 3.03Å; K6-K8 PolarHBondContact O-N 2.81Å
7K46.9Very low57.3Low206 Ų206157.6 Ų157.690%0.89676%0.755SS**  trans-56.7113171.7-82.7176.9178.1170.10106.9K5K5-K7 PolarHBondContact O-N 2.99Å
8K49.3Very low59Low186 Ų186153 Ų15381%0.80974%0.74SS**  trans-54137.3172.6-73.9-179.9178.9176.40108.2K6 R10K6-K8 PolarHBondContact O-N 2.81Å; K8-R10 PolarHBondContact O-N 3.15Å
9P46.8Very low60.5Low121 Ų121150.1 Ų150.179%0.78673%0.728SS**  trans-55.1118.5177.121.7-31.4000108.2R11P9-R11 PolarHBondContact O-N 2.97Å
10R53Low61.7Low243 Ų243145.9 Ų145.992%0.91773%0.725SS**  trans-55.6115.9172.6-77.3-177.6169.4-177-3.4105.8K8 K12K8-R10 PolarHBondContact O-N 3.15Å; R10-K12 PolarHBondContact O-N 2.75Å
11R55.3Low62.7Low241 Ų241149.3 Ų149.391%0.90974%0.736SS**PPolyproline II helixtrans-53.2119174.5-78.1-178.6163.8-179.6-5.5106.3P9P9-R11 PolarHBondContact O-N 2.97Å
12K60.5Low64.9Low191 Ų191141 Ų14183%0.8370%0.703SS**PPolyproline II helixtrans-49.1130.7176.6-67.9-175.6179.5-176.60107.3R10 V14R10-K12 PolarHBondContact O-N 2.75Å; K12-V14 PolarHBondContact O-N 2.72Å
13P67.2Low67Low119 Ų119138.8 Ų138.877%0.77369%0.689SS**PPolyproline II helixtrans-52.1128.9-179.120.5-31.2000108.3R15P13-R15 PolarHBondContact O-N 3.36Å; P13-R15 VanDerWaalsContact O-N 3.11Å
14V73.6Confident69Low122 Ų122136.6 Ų136.674%0.73968%0.682SS**PPolyproline II helixtrans-64119.2-177.2-166.60000106.6K12 N16K12-V14 PolarHBondContact O-N 2.72Å; V14-N16 WeakPolarHBondContact CG1-O 3.5Å; V14-N16 PolarHBondContact O-N 3.46Å
15R82Confident71.2Confident131 Ų131132.8 Ų132.849%0.49467%0.666SS.*SBendtrans-58.8-21.3-174.7-69.6-179.2177.1179.6-7.8113.5P13 M32 R36P13-R15 PolarHBondContact O-N 3.36Å; P13-R15 VanDerWaalsContact O-N 3.11Å; R15-M32 HydrophobicContact CB-CE 3.81Å; R15-R36 VanDerWaalsContact NH1-CA 3.35Å
16N88.4Confident73.2Confident15 Ų15131.6 Ų131.68%0.0866%0.656CS.*SBendtrans-132.7135.7173.1-155.7-6.9000109.4V14 M25 R26 F27 M32V14-N16 WeakPolarHBondContact CG1-O 3.5Å; V14-N16 PolarHBondContact O-N 3.46Å; N16-M25 HydrophobicContact CB-CE 3.58Å; N16-M25 WeakPolarHBondContact ND2-CB 3.39Å; N16-M25 WeakPolarHBondContact O-CE 3.37Å; N16-R26 PolarHBondContact OD1-N 3.26Å; N16-F27 PolarHBondContact ND2-O 3.39Å; N16-F27 PolarHBondContact OD1-N 3.07Å; N16-M32 HydrophobicContact CB-CE 3.93Å; N16-M32 HydrophobicContact CB-CG 4.22Å; N16-M32 HydrophobicContact CB-SD 3.59Å; N16-M32 VanDerWaalsContact CB-SD 3.59Å; N16-M32 WeakPolarHBondContact ND2-CG 3.46Å
17S87.8Confident75.3Confident51 Ų51124.1 Ų124.136%0.35762%0.624SS.*  trans-116.3146.2178.956.60000110.1R26S17-R26 WeakPolarHBondContact O-CB 3.41Å; S17-R26 PolarHBondContact O-N 3.1Å
18P89.2Confident77.5Confident74 Ų74118 Ų11848%0.48161%0.606SS.*BIsolated β-bridgetrans-67.9148174.128.4-33.7000112.1G20 L24 M25P18-G20 PolarHBondContact O-N 3.22Å; P18-L24 CarbonylContact C-O 3.5Å; P18-L24 WeakPolarHBondContact CA-O 3.39Å; P18-M25 HydrophobicContact CB-SD 4.23Å
19L87.6Confident79.5Confident98 Ų98120.3 Ų120.351%0.51361%0.61SS.*SBendtrans-78.495.1168.1-67.5173.7000108.5S22 L24 R26L19-S22 PolarHBondContact O-OG 3.44Å; L19-L24 PolarHBondContact N-O 2.91Å; L19-R26 HydrophobicContact CD2-CB 4.1Å; L19-R26 HydrophobicContact CD2-CG 4.23Å; L19-R26 HydrophobicContact CG-CB 4.39Å
20G84.5Confident81.7Confident65 Ų65117.7 Ų117.767%0.6760%0.599SS**THydrogen-bonded Turntrans61.8-135.5-178.300000112.8P18P18-G20 PolarHBondContact O-N 3.22Å
21K81.8Confident83.5Confident218 Ų218112.5 Ų112.595%0.94858%0.579SS**THydrogen-bonded Turntrans-99.31.5-178.5-64.9175.9-174.7163.90113.9G23K21-G23 VanDerWaalsContact C-N 3.26Å; K21-G23 PolarHBondContact O-N 3.09Å
22S83.4Confident85.3Confident76 Ų76101.6 Ų101.653%0.53154%0.539SS..SBendtrans-68.8-20.4-17464.10000114L19 L24L19-S22 PolarHBondContact O-OG 3.44Å; S22-L24 PolarHBondContact O-N 3.41Å; S22-L24 WeakPolarHBondContact OG-CB 3.32Å; S22-L24 PolarHBondContact OG-N 2.85Å
23G83.6Confident86.8Confident57 Ų5797.3 Ų97.359%0.58852%0.518SS*.  trans80.9-8.5-171.500000114K21K21-G23 VanDerWaalsContact C-N 3.26Å; K21-G23 PolarHBondContact O-N 3.09Å
24L87.8Confident87.9Confident118 Ų11897.9 Ų97.962%0.61851%0.51SS*.  trans-69.5137171.1-63.5170.2000109.6P18 L19 S22P18-L24 CarbonylContact C-O 3.5Å; P18-L24 WeakPolarHBondContact CA-O 3.39Å; L19-L24 PolarHBondContact N-O 2.91Å; S22-L24 PolarHBondContact O-N 3.41Å; S22-L24 WeakPolarHBondContact OG-CB 3.32Å; S22-L24 PolarHBondContact OG-N 2.85Å
25M90.6Very high88.7Confident90 Ų9097 Ų9744%0.44350%0.497SS..BIsolated β-bridgetrans-92145.1-178.1-59.3-64.1-69.200111N16 P18 F27N16-M25 HydrophobicContact CB-CE 3.58Å; N16-M25 WeakPolarHBondContact ND2-CB 3.39Å; N16-M25 WeakPolarHBondContact O-CE 3.37Å; P18-M25 HydrophobicContact CB-SD 4.23Å; M25-F27 PolarHBondContact O-N 3.39Å
26R90.7Very high89.1Confident159 Ų15996.9 Ų96.960%0.650%0.496SS*.SBendtrans-59.8-41.2-177-179.5178.7-177.4-175.92.1113.3N16 S17 L19N16-R26 PolarHBondContact OD1-N 3.26Å; S17-R26 WeakPolarHBondContact O-CB 3.41Å; S17-R26 PolarHBondContact O-N 3.1Å; L19-R26 HydrophobicContact CD2-CB 4.1Å; L19-R26 HydrophobicContact CD2-CG 4.23Å; L19-R26 HydrophobicContact CG-CB 4.39Å
27F92.1Very high89.1Confident26 Ų2697.6 Ų97.611%0.11450%0.504CS..SBendtrans-103.7138.6178.3-58.6-56.1000111.1N16 M25 R31 M32 K35N16-F27 PolarHBondContact ND2-O 3.39Å; N16-F27 PolarHBondContact OD1-N 3.07Å; M25-F27 PolarHBondContact O-N 3.39Å; F27-R31 HydrophobicContact CB-CB 4.44Å; F27-R31 HydrophobicContact CD1-CG 4.37Å; F27-M32 HydrophobicContact CB-CG 3.85Å; F27-M32 HydrophobicContact CB-SD 4.03Å; F27-M32 HydrophobicContact CD2-SD 4.06Å; F27-M32 HydrophobicContact CG-SD 4.47Å; F27-K35 HydrophobicContact CD2-CD 4.36Å; F27-K35 HydrophobicContact CE2-CD 4.34Å; F27-K35 VanDerWaalsContact CE2-NZ 3.26Å
28S91.8Very high89.2Confident76 Ų7697.5 Ų97.553%0.53150%0.501SS..  trans-62.7165.4171.767.30000111.8A30 R31 M32S28-A30 VanDerWaalsContact C-N 3.34Å; S28-A30 PolarHBondContact O-N 2.92Å; S28-R31 PolarHBondContact O-N 3.1Å; S28-M32 WeakPolarHBondContact O-CB 3.23Å; S28-M32 WeakPolarHBondContact O-CG 3.5Å; S28-M32 PolarHBondContact O-N 3.49Å
29R91.1Very high89.1Confident235 Ų23599.1 Ų99.189%0.88750%0.501SS*.Hα-helixtrans-60.8-41.3-179.8-66176.991.7168.73.3111.9M32 Y33R29-M32 PolarHBondContact O-N 3.43Å; R29-Y33 PolarHBondContact O-N 2.78Å
30A93.5Very high89.2Confident66 Ų66102.4 Ų102.455%0.54551%0.511SS..Hα-helixtrans-61.8-52.7178.300000112S28 M32 Y33 E34S28-A30 VanDerWaalsContact C-N 3.34Å; S28-A30 PolarHBondContact O-N 2.92Å; A30-M32 PolarHBondContact O-N 3.39Å; A30-M32 VanDerWaalsContact O-N 3.15Å; A30-Y33 WeakPolarHBondContact O-CA 3.42Å; A30-Y33 VanDerWaalsContact O-CB 3.27Å; A30-Y33 WeakPolarHBondContact O-CB 3.34Å; A30-Y33 PolarHBondContact O-N 3.16Å; A30-E34 PolarHBondContact O-N 2.93Å; A30-E34 VanDerWaalsContact O-N 3.16Å
31R92.2Very high89.1Confident135 Ų135107.7 Ų107.751%0.50951%0.511SS..Hα-helixtrans-60.4-31.2177.2-165.3170.3-177.8-177.95.8112.5F27 S28 K35F27-R31 HydrophobicContact CB-CB 4.44Å; F27-R31 HydrophobicContact CD1-CG 4.37Å; S28-R31 PolarHBondContact O-N 3.1Å; R31-K35 WeakPolarHBondContact O-CB 3.1Å; R31-K35 WeakPolarHBondContact O-CG 3.24Å; R31-K35 PolarHBondContact O-N 2.99Å
32M92.6Very high88.9Confident12 Ų12102.4 Ų102.46%0.05949%0.492CS..Hα-helixtrans-74.4-30.6173.9-80.3-55.8-57.600114.2R15 N16 F27 S28 R29 A30 R36R15-M32 HydrophobicContact CB-CE 3.81Å; N16-M32 HydrophobicContact CB-CE 3.93Å; N16-M32 HydrophobicContact CB-CG 4.22Å; N16-M32 HydrophobicContact CB-SD 3.59Å; N16-M32 VanDerWaalsContact CB-SD 3.59Å; N16-M32 WeakPolarHBondContact ND2-CG 3.46Å; F27-M32 HydrophobicContact CB-CG 3.85Å; F27-M32 HydrophobicContact CB-SD 4.03Å; F27-M32 HydrophobicContact CD2-SD 4.06Å; F27-M32 HydrophobicContact CG-SD 4.47Å; S28-M32 WeakPolarHBondContact O-CB 3.23Å; S28-M32 WeakPolarHBondContact O-CG 3.5Å; S28-M32 PolarHBondContact O-N 3.49Å; R29-M32 PolarHBondContact O-N 3.43Å; A30-M32 PolarHBondContact O-N 3.39Å; A30-M32 VanDerWaalsContact O-N 3.15Å; M32-R36 HydrophobicContact CE-CG 3.89Å; M32-R36 WeakPolarHBondContact O-CB 3.27Å; M32-R36 WeakPolarHBondContact O-CG 3.49Å; M32-R36 PolarHBondContact O-N 3.06Å
33Y90.8Very high88.5Confident101 Ų101102.8 Ų102.840%0.39649%0.494SS..Hα-helixtrans-63.9-47.3174.2179.2-89.4000110.3R29 A30 R36 A37 V38 F39 I42R29-Y33 PolarHBondContact O-N 2.78Å; A30-Y33 WeakPolarHBondContact O-CA 3.42Å; A30-Y33 VanDerWaalsContact O-CB 3.27Å; A30-Y33 WeakPolarHBondContact O-CB 3.34Å; A30-Y33 PolarHBondContact O-N 3.16Å; Y33-R36 PolarHBondContact O-N 2.95Å; Y33-A37 PolarHBondContact O-N 2.93Å; Y33-V38 HydrophobicContact CD2-CB 3.57Å; Y33-V38 HydrophobicContact CD2-CG1 3.88Å; Y33-V38 HydrophobicContact CD2-CG2 4.02Å; Y33-V38 HydrophobicContact CE2-CB 3.55Å; Y33-V38 HydrophobicContact CE2-CG1 3.55Å; Y33-V38 HydrophobicContact CE2-CG2 4.47Å; Y33-V38 HydrophobicContact CG-CB 4.15Å; Y33-V38 HydrophobicContact CG-CG2 4.46Å; Y33-V38 PolarHBondContact O-N 2.97Å; Y33-V38 VanDerWaalsContact O-N 3.08Å; Y33-F39 HydrophobicContact CE1-CB 3.86Å; Y33-F39 HydrophobicContact CE1-CD1 4.24Å; Y33-I42 WeakPolarHBondContact OH-CD1 3.22Å
34E91.6Very high88Confident131 Ų131110.2 Ų110.261%0.61251%0.51SS*.Hα-helixtrans-62.8-53.7173.6-69.8171-174.900112.1A30 R36 A37A30-E34 PolarHBondContact O-N 2.93Å; A30-E34 VanDerWaalsContact O-N 3.16Å; E34-R36 PolarHBondContact O-N 3.15Å; E34-R36 VanDerWaalsContact O-N 3.15Å; E34-A37 WeakPolarHBondContact O-CA 3.19Å; E34-A37 PolarHBondContact O-N 3.29Å
35K89.9Confident87.5Confident104 Ų104112.9 Ų112.945%0.45252%0.517SS..Hα-helixtrans-59.5-29.2179.4-83.2-167171.7-164.30113.7F27 R31 A37F27-K35 HydrophobicContact CD2-CD 4.36Å; F27-K35 HydrophobicContact CE2-CD 4.34Å; F27-K35 VanDerWaalsContact CE2-NZ 3.26Å; R31-K35 WeakPolarHBondContact O-CB 3.1Å; R31-K35 WeakPolarHBondContact O-CG 3.24Å; R31-K35 PolarHBondContact O-N 2.99Å; K35-A37 VanDerWaalsContact C-N 3.28Å
36R89.7Confident86.5Confident128 Ų128113.8 Ų113.848%0.48353%0.529SS..THydrogen-bonded Turntrans-83.4-8.8175.6-73.4175.3178.3-174.14.2112.8R15 M32 Y33 E34 V38R15-R36 VanDerWaalsContact NH1-CA 3.35Å; M32-R36 HydrophobicContact CE-CG 3.89Å; M32-R36 WeakPolarHBondContact O-CB 3.27Å; M32-R36 WeakPolarHBondContact O-CG 3.49Å; M32-R36 PolarHBondContact O-N 3.06Å; Y33-R36 PolarHBondContact O-N 2.95Å; E34-R36 PolarHBondContact O-N 3.15Å; E34-R36 VanDerWaalsContact O-N 3.15Å; R36-V38 HydrophobicContact CB-CG2 3.59Å; R36-V38 PolarHBondContact O-N 2.81Å
37A89.9Confident85.7Confident29 Ų29111.9 Ų111.924%0.2454%0.538CS..THydrogen-bonded Turntrans48.743.9-168.900000111.1Y33 E34 K35 F39 K40Y33-A37 PolarHBondContact O-N 2.93Å; E34-A37 WeakPolarHBondContact O-CA 3.19Å; E34-A37 PolarHBondContact O-N 3.29Å; K35-A37 VanDerWaalsContact C-N 3.28Å; A37-F39 HydrophobicContact CB-CE1 4.08Å; A37-F39 HydrophobicContact CB-CZ 4.32Å; A37-F39 PolarHBondContact O-N 2.74Å; A37-K40 HydrophobicContact CB-CD 4.37Å; A37-K40 HydrophobicContact CB-CG 4.32Å; A37-K40 PolarHBondContact O-N 3.27Å; A37-K40 VanDerWaalsContact O-N 3.08Å
38V88.7Confident84.8Confident50 Ų50116.7 Ų116.730%0.30357%0.569SS.*G310 helixtrans-59.2-37.4-176.3-179.90000110.1Y33 R36 K40 R41 I42Y33-V38 HydrophobicContact CD2-CB 3.57Å; Y33-V38 HydrophobicContact CD2-CG1 3.88Å; Y33-V38 HydrophobicContact CD2-CG2 4.02Å; Y33-V38 HydrophobicContact CE2-CB 3.55Å; Y33-V38 HydrophobicContact CE2-CG1 3.55Å; Y33-V38 HydrophobicContact CE2-CG2 4.47Å; Y33-V38 HydrophobicContact CG-CB 4.15Å; Y33-V38 HydrophobicContact CG-CG2 4.46Å; Y33-V38 PolarHBondContact O-N 2.97Å; Y33-V38 VanDerWaalsContact O-N 3.08Å; R36-V38 HydrophobicContact CB-CG2 3.59Å; R36-V38 PolarHBondContact O-N 2.81Å; V38-K40 PolarHBondContact O-N 3.4Å; V38-K40 VanDerWaalsContact O-N 3.16Å; V38-R41 CarbonylContact O-C 3.44Å; V38-R41 WeakPolarHBondContact O-CA 3.45Å; V38-R41 PolarHBondContact O-N 2.84Å; V38-I42 WeakPolarHBondContact O-CG1 3.46Å; V38-I42 PolarHBondContact O-N 3.3Å
39F87.6Confident83.9Confident108 Ų108118.4 Ų118.447%0.47458%0.578SS.*G310 helixtrans-52.8-33.817662.6-89.6000113.8Y33 A37 R41Y33-F39 HydrophobicContact CE1-CB 3.86Å; Y33-F39 HydrophobicContact CE1-CD1 4.24Å; A37-F39 HydrophobicContact CB-CE1 4.08Å; A37-F39 HydrophobicContact CB-CZ 4.32Å; A37-F39 PolarHBondContact O-N 2.74Å; F39-R41 VanDerWaalsContact C-N 3.27Å; F39-R41 PolarHBondContact O-N 3.16Å
40K89Confident83.2Confident167 Ų167116 Ų11673%0.72658%0.577SS**G310 helixtrans-75.6-12.7176.3-58.8-167177.7-171.90113.8A37 V38A37-K40 HydrophobicContact CB-CD 4.37Å; A37-K40 HydrophobicContact CB-CG 4.32Å; A37-K40 PolarHBondContact O-N 3.27Å; A37-K40 VanDerWaalsContact O-N 3.08Å; V38-K40 PolarHBondContact O-N 3.4Å; V38-K40 VanDerWaalsContact O-N 3.16Å
41R82.1Confident82.2Confident175 Ų175122.6 Ų122.666%0.6659%0.593SS**G310 helixtrans-1133.4-174-58.8-178.8-173.9-169.4-5.5113.3V38 F39 S43V38-R41 CarbonylContact O-C 3.44Å; V38-R41 WeakPolarHBondContact O-CA 3.45Å; V38-R41 PolarHBondContact O-N 2.84Å; F39-R41 VanDerWaalsContact C-N 3.27Å; F39-R41 PolarHBondContact O-N 3.16Å; R41-S43 VanDerWaalsContact C-N 3.33Å; R41-S43 PolarHBondContact O-N 3.08Å
42I78.8Confident81.2Confident108 Ų108127.5 Ų127.555%0.55461%0.612SS**  trans-70.896174.6-62.3178.8000106.8Y33 V38Y33-I42 WeakPolarHBondContact OH-CD1 3.22Å; V38-I42 WeakPolarHBondContact O-CG1 3.46Å; V38-I42 PolarHBondContact O-N 3.3Å
43S74.4Confident80.4Confident83 Ų83136.2 Ų136.258%0.5865%0.649SS**  trans-75125.9169.758.30000108.4R41 K45R41-S43 VanDerWaalsContact C-N 3.33Å; R41-S43 PolarHBondContact O-N 3.08Å; S43-K45 PolarHBondContact O-N 3.29Å; S43-K45 VanDerWaalsContact O-N 3.15Å; S43-K45 PolarHBondContact OG-O 3.29Å; S43-K45 VanDerWaalsContact OG-O 3.1Å
44K73.7Confident79.7Confident213 Ų213137.2 Ų137.293%0.92667%0.668SS**SBendtrans-60.9-20.8175.5-68.5-175.5177.9-177.50113
45K76Confident79.1Confident175 Ų175140.1 Ų140.176%0.76168%0.679SS**SBendtrans-100.9127.4179.2-64.5-178.1-179.4-179.90109.8S43S43-K45 PolarHBondContact O-N 3.29Å; S43-K45 VanDerWaalsContact O-N 3.15Å; S43-K45 PolarHBondContact OG-O 3.29Å; S43-K45 VanDerWaalsContact OG-O 3.1Å
46P71.2Confident78.7Confident108 Ų108142.2 Ų142.270%0.70169%0.69SS**PPolyproline II helixtrans-60.4145.7168.325.8-31.9000109V48P46-V48 PolarHBondContact O-N 3.39Å
47P72.2Confident78.3Confident119 Ų119145.5 Ų145.577%0.77370%0.703SS**PPolyproline II helixtrans-59.5118.617324.5-31.2000108.1P49P47-P49 WeakPolarHBondContact O-CD 3.36Å; P47-P49 VanDerWaalsContact O-N 3.1Å
48V74.3Confident78.1Confident128 Ų128149 Ų14978%0.77671%0.711SS**PPolyproline II helixtrans-54.8119.3174.3179.50000106.5P46 E50P46-V48 PolarHBondContact O-N 3.39Å; V48-E50 PolarHBondContact O-N 3.08Å
49P73.3Confident78Confident111 Ų111150.2 Ų150.272%0.72171%0.714SS**  trans-61.1115.4-177.823-31.3000107.9P47 K51P47-P49 WeakPolarHBondContact O-CD 3.36Å; P47-P49 VanDerWaalsContact O-N 3.1Å; P49-K51 PolarHBondContact O-N 3.46Å
50E75.1Confident78Confident185 Ų185148.6 Ų148.686%0.86472%0.717SS**  trans-53.7110.8171.1-80.9-175.6170.400107.7V48 R52V48-E50 PolarHBondContact O-N 3.08Å; E50-R52 PolarHBondContact O-N 3.22Å
51K73.8Confident77.8Confident204 Ų204146 Ų14689%0.88771%0.705SS**  trans-57.2106.3173.9-75.6-177.1179.61770106.8P49 K53P49-K51 PolarHBondContact O-N 3.46Å; K51-K53 PolarHBondContact O-N 2.98Å
52R70.8Confident78Confident239 Ų239142.8 Ų142.890%0.90271%0.707SS**  trans-54.6115.7178.1-73.4-179.7167.1-179.5-1.8108E50E50-R52 PolarHBondContact O-N 3.22Å
53K76.4Confident78Confident194 Ų194139.8 Ų139.884%0.84369%0.692SS**PPolyproline II helixtrans-48.7130175.8-66.5-175.6179.8-176.50108.9K51 K55K51-K53 PolarHBondContact O-N 2.98Å; K53-K55 PolarHBondContact O-N 3.11Å; K53-K55 VanDerWaalsContact O-N 3.17Å
54P76Confident78.3Confident122 Ų122139 Ų13979%0.79270%0.696SS**PPolyproline II helixtrans-58.5124.9-177.222.2-31.7000109.3Q56P54-Q56 PolarHBondContact O-N 3.03Å; P54-Q56 VanDerWaalsContact O-N 3.11Å
55K78.5Confident78.6Confident193 Ų193131.5 Ų131.584%0.83968%0.679SS**PPolyproline II helixtrans-62.1117.7176.4-67.8179.2-179.1176.20108.1K53 R57K53-K55 PolarHBondContact O-N 3.11Å; K53-K55 VanDerWaalsContact O-N 3.17Å; K55-R57 PolarHBondContact O-N 3.17Å
56Q80.8Confident78.6Confident148 Ų148131 Ų13169%0.69269%0.685SS**  trans-54.8112.6177-69.1174.7-11.700110.4P54 Y58 K76P54-Q56 PolarHBondContact O-N 3.03Å; P54-Q56 VanDerWaalsContact O-N 3.11Å; Q56-Y58 VanDerWaalsContact C-N 3.3Å; Q56-K76 VanDerWaalsContact O-CD 3.32Å; Q56-K76 WeakPolarHBondContact O-CD 3.38Å; Q56-K76 WeakPolarHBondContact O-CE 3.22Å; Q56-K76 PolarHBondContact O-NZ 3Å
57R82.3Confident79Confident196 Ų196136.5 Ų136.574%0.7470%0.698SS**  trans-72.5-23.3179.9-69.9-175.3175.5-172-0.5113K55 K76K55-R57 PolarHBondContact O-N 3.17Å; R57-K76 PolarHBondContact O-N 3.29Å
58Y85.9Confident79.1Confident104 Ų104134.1 Ų134.141%0.40868%0.679SS.*EExtended strand (participates in β ladder)trans-109.5150.8-175.4-56-88.9000111.3Q56 R73 I74 L75Q56-Y58 VanDerWaalsContact C-N 3.3Å; Y58-R73 HydrophobicContact CD1-CB 4.39Å; Y58-I74 CarbonylContact C-O 3.51Å; Y58-I74 WeakPolarHBondContact CA-O 3.21Å; Y58-L75 HydrophobicContact CD1-CD2 3.74Å; Y58-L75 HydrophobicContact CD1-CG 4.14Å; Y58-L75 HydrophobicContact CE1-CD2 3.32Å; Y58-L75 HydrophobicContact CE1-CG 3.83Å; Y58-L75 HydrophobicContact CE2-CD2 4.46Å; Y58-L75 HydrophobicContact CG-CD2 4.48Å
59I86.4Confident79.2Confident75 Ų75131 Ų13139%0.38567%0.673SS.*EExtended strand (participates in β ladder)trans-119.2127.3163-66.7170.9000106.1K61 I74 K76I59-K61 HydrophobicContact CG2-CG 4.04Å; I59-K61 PolarHBondContact O-N 2.76Å; I59-I74 PolarHBondContact N-O 2.95Å; I59-I74 PolarHBondContact O-N 3.09Å; I59-K76 HydrophobicContact CD1-CD 4.06Å; I59-K76 HydrophobicContact CD1-CG 3.53Å; I59-K76 HydrophobicContact CG1-CD 3.97Å; I59-K76 HydrophobicContact CG1-CG 3.49Å; I59-K76 VanDerWaalsContact CG1-CG 3.49Å
60S86.4Confident79.4Confident74 Ų74134.2 Ų134.252%0.51768%0.675SS.*EExtended strand (participates in β ladder)trans-77.5116.1166.454.60000108.8R72S60-R72 WeakPolarHBondContact CA-O 3.45Å
61K85.5Confident79.9Confident112 Ų112134.1 Ų134.149%0.48767%0.667SS.*EExtended strand (participates in β ladder)trans-103.9137.7169.8-65.9-161.9-172.4-179.50109.5I59 R71 R72 I74I59-K61 HydrophobicContact CG2-CG 4.04Å; I59-K61 PolarHBondContact O-N 2.76Å; K61-R71 WeakPolarHBondContact O-CA 3.2Å; K61-R72 PolarHBondContact N-O 3.2Å; K61-R72 PolarHBondContact O-N 3.32Å; K61-I74 HydrophobicContact CB-CD1 3.89Å; K61-I74 HydrophobicContact CD-CD1 3.76Å; K61-I74 HydrophobicContact CG-CD1 3.86Å
62P85.3Confident80.4Confident108 Ų108130.8 Ų130.870%0.70165%0.649SS**EExtended strand (participates in β ladder)trans-63.7141.3167.528.9-32.6000109.2K70P62-K70 VanDerWaalsContact CA-O 3.28Å; P62-K70 WeakPolarHBondContact CA-O 3.49Å
63I79.9Confident81.1Confident45 Ų45128.2 Ų128.223%0.23164%0.639CS.*  trans-119.6129.3172.3-67.9-159.7000107.2N68 K70 R72I63-N68 HydrophobicContact CG2-CB 4.42Å; I63-K70 PolarHBondContact N-O 2.77Å; I63-R72 HydrophobicContact CD1-CB 3.66Å; I63-R72 HydrophobicContact CD1-CG 3.38Å; I63-R72 HydrophobicContact CG1-CB 4.18Å; I63-R72 HydrophobicContact CG1-CG 4.13Å
64G80.2Confident81.5Confident66 Ų66122.1 Ų122.168%0.6862%0.615SS**  trans-80.3157.8175.700000112.3
65G79.9Confident82Confident55 Ų55119.6 Ų119.657%0.56760%0.595SS**SBendtrans113.2129.9-18000000112.3N68G65-N68 PolarHBondContact O-N 3.49Å
66D76.8Confident82.2Confident166 Ų166115.6 Ų115.689%0.88858%0.577SS**THydrogen-bonded Turntrans-62.5139.3174.4-69.6-33.1000110N68D66-N68 VanDerWaalsContact C-N 3.3Å; D66-N68 PolarHBondContact O-N 3.03Å
67K79.5Confident82Confident222 Ų222119.3 Ų119.397%0.96559%0.585SS**THydrogen-bonded Turntrans69.57.4-174.5-49.1177.7-178.9178.40116.6
68N75Confident81.8Confident69 Ų69117.2 Ų117.237%0.36958%0.581SS.*SBendtrans-9920.2-178.4-149.3-1.6000115.3I63 G65 D66 K70 R72I63-N68 HydrophobicContact CG2-CB 4.42Å; G65-N68 PolarHBondContact O-N 3.49Å; D66-N68 VanDerWaalsContact C-N 3.3Å; D66-N68 PolarHBondContact O-N 3.03Å; N68-K70 PolarHBondContact O-N 3.25Å; N68-R72 PolarHBondContact OD1-NH2 2.58Å
69G76.5Confident81Confident63 Ų63115.1 Ų115.165%0.64958%0.581SS**  trans78.311.1168.600000117.5R71G69-R71 PolarHBondContact O-N 2.91Å
70K76.1Confident80.1Confident178 Ų178117.6 Ų117.677%0.77460%0.599SS**SBendtrans58-36.5176.4-62.5-179.5-178.8177.10116.9P62 I63 N68P62-K70 VanDerWaalsContact CA-O 3.28Å; P62-K70 WeakPolarHBondContact CA-O 3.49Å; I63-K70 PolarHBondContact N-O 2.77Å; N68-K70 PolarHBondContact O-N 3.25Å
71R87Confident79.2Confident184 Ų184118.7 Ų118.769%0.69461%0.607SS**EExtended strand (participates in β ladder)trans-143138.4-176.7-67.7-176.5168-178-2.4111.2K61 G69K61-R71 WeakPolarHBondContact O-CA 3.2Å; G69-R71 PolarHBondContact O-N 2.91Å
72R83.6Confident78.3Confident134 Ų134116 Ų11651%0.50661%0.605SS.*EExtended strand (participates in β ladder)trans-118140.3167.2-74.8-165.8-163.5170.2-0.4112.1S60 K61 I63 N68 I74S60-R72 WeakPolarHBondContact CA-O 3.45Å; K61-R72 PolarHBondContact N-O 3.2Å; K61-R72 PolarHBondContact O-N 3.32Å; I63-R72 HydrophobicContact CD1-CB 3.66Å; I63-R72 HydrophobicContact CD1-CG 3.38Å; I63-R72 HydrophobicContact CG1-CB 4.18Å; I63-R72 HydrophobicContact CG1-CG 4.13Å; N68-R72 PolarHBondContact OD1-NH2 2.58Å; R72-I74 HydrophobicContact CB-CG1 4.43Å; R72-I74 PolarHBondContact O-N 3.42Å
73R86.1Confident77.4Confident185 Ų185114.6 Ų114.670%0.69860%0.595SS**EExtended strand (participates in β ladder)trans-81.5110.3170.4-71.8175.161.9-169-1.9109.1Y58Y58-R73 HydrophobicContact CD1-CB 4.39Å
74I84.7Confident76.8Confident66 Ų66118 Ų11834%0.33862%0.619SS.*EExtended strand (participates in β ladder)trans-110.2134.5-179.2-56.7173.5000109.1Y58 I59 K61 R72 K76Y58-I74 CarbonylContact C-O 3.51Å; Y58-I74 WeakPolarHBondContact CA-O 3.21Å; I59-I74 PolarHBondContact N-O 2.95Å; I59-I74 PolarHBondContact O-N 3.09Å; K61-I74 HydrophobicContact CB-CD1 3.89Å; K61-I74 HydrophobicContact CD-CD1 3.76Å; K61-I74 HydrophobicContact CG-CD1 3.86Å; R72-I74 HydrophobicContact CB-CG1 4.43Å; R72-I74 PolarHBondContact O-N 3.42Å; I74-K76 PolarHBondContact O-N 3.02Å
75L85.1Confident75.8Confident69 Ų69122.2 Ų122.236%0.36162%0.619SS.*EExtended strand (participates in β ladder)trans-63.5133.2173.1-73.2166.7000110.8Y58 R77Y58-L75 HydrophobicContact CD1-CD2 3.74Å; Y58-L75 HydrophobicContact CD1-CG 4.14Å; Y58-L75 HydrophobicContact CE1-CD2 3.32Å; Y58-L75 HydrophobicContact CE1-CG 3.83Å; Y58-L75 HydrophobicContact CE2-CD2 4.46Å; Y58-L75 HydrophobicContact CG-CD2 4.48Å; L75-R77 PolarHBondContact O-N 3.19Å
76K83.7Confident74.8Confident109 Ų109127.5 Ų127.547%0.47463%0.633SS.*SBendtrans-58.5-33.2176.4-76.9-171.9-178.6162.90113Q56 R57 I59 I74Q56-K76 VanDerWaalsContact O-CD 3.32Å; Q56-K76 WeakPolarHBondContact O-CD 3.38Å; Q56-K76 WeakPolarHBondContact O-CE 3.22Å; Q56-K76 PolarHBondContact O-NZ 3Å; R57-K76 PolarHBondContact O-N 3.29Å; I59-K76 HydrophobicContact CD1-CD 4.06Å; I59-K76 HydrophobicContact CD1-CG 3.53Å; I59-K76 HydrophobicContact CG1-CD 3.97Å; I59-K76 HydrophobicContact CG1-CG 3.49Å; I59-K76 VanDerWaalsContact CG1-CG 3.49Å; I74-K76 PolarHBondContact O-N 3.02Å
77R77.5Confident74Confident225 Ų225128.7 Ų128.785%0.84963%0.627SS**SBendtrans-132.3120.3175.1-68-175.5174.6-174.4-3.2106.9L75L75-R77 PolarHBondContact O-N 3.19Å
78K77Confident73.1Confident152 Ų152121.1 Ų121.166%0.66160%0.602SS**  trans-59.9138.6172.4-69.7-172.7177.1-173.70108.6A82 V83K78-A82 HydrophobicContact CB-CB 4.35Å; K78-V83 HydrophobicContact CB-CG2 4.44Å
79P69.9Low72.6Confident61 Ų61124.5 Ų124.540%0.39663%0.625SS.*  trans-61.1154.417428-33.9000109.4S81 A82P79-S81 PolarHBondContact O-N 2.86Å; P79-A82 HydrophobicContact CG-CB 4.01Å; P79-A82 PolarHBondContact O-N 2.78Å
80V67.1Low72.1Confident126 Ų126126.8 Ų126.876%0.76463%0.626SS**G310 helixtrans-55.8-27.2-178.3-178.50000111.7
81S67.6Low71.5Confident98 Ų98129.5 Ų129.569%0.68563%0.631SS**G310 helixtrans-68.7-26.3175.951.70000114.9P79P79-S81 PolarHBondContact O-N 2.86Å
82A66.4Low70.5Confident56 Ų56131.1 Ų131.146%0.46364%0.637SS.*G310 helixtrans-94.74.1-175.700000113.7K78 P79K78-A82 HydrophobicContact CB-CB 4.35Å; P79-A82 HydrophobicContact CG-CB 4.01Å; P79-A82 PolarHBondContact O-N 2.78Å
83V66.5Low69.8Low78 Ų78135.6 Ų135.647%0.47365%0.654SS.*SBendtrans-104.5134171.9-173.90000106.4K78 K85K78-V83 HydrophobicContact CB-CG2 4.44Å; V83-K85 PolarHBondContact O-N 2.97Å
84P66.2Low69Low115 Ų115132.6 Ų132.675%0.74766%0.658SS**  trans-52.2117.2175.917.8-28.9000108.8L86P84-L86 VanDerWaalsContact C-N 3.29Å; P84-L86 PolarHBondContact O-N 2.75Å
85K60.3Low68.2Low156 Ų156137.1 Ų137.168%0.67868%0.678SS**  trans-66.594.8175.2-73.5178.5-177.3172.70106.4V83 Y87V83-K85 PolarHBondContact O-N 2.97Å; K85-Y87 WeakPolarHBondContact O-CD1 3.21Å; K85-Y87 PolarHBondContact O-N 3.46Å
86L59Low67.6Low165 Ų165142.9 Ų142.986%0.86470%0.7SS**  trans-6587.6148.1-95.4134.5000105.4P84 S88P84-L86 VanDerWaalsContact C-N 3.29Å; P84-L86 PolarHBondContact O-N 2.75Å; L86-S88 VanDerWaalsContact C-N 3.26Å; L86-S88 PolarHBondContact O-N 3.25Å
87Y58.7Low66.9Low191 Ų191146.2 Ų146.275%0.74972%0.717SS**  trans-65.594.5168.245.6-87.5000106K85 V89K85-Y87 WeakPolarHBondContact O-CD1 3.21Å; K85-Y87 PolarHBondContact O-N 3.46Å; Y87-V89 HydrophobicContact CD2-CG2 4.46Å; Y87-V89 PolarHBondContact O-N 3.07Å; Y87-V89 VanDerWaalsContact O-N 3.07Å
88S60.4Low66.4Low63 Ų63141.1 Ų141.144%0.44171%0.706SS.*  trans-63.9112160.157.30000105.7L86 V90L86-S88 VanDerWaalsContact C-N 3.26Å; L86-S88 PolarHBondContact O-N 3.25Å; S88-V90 CarbonylContact O-C 3.49Å; S88-V90 PolarHBondContact O-N 3.11Å; S88-V90 VanDerWaalsContact O-O 3.12Å; S88-V90 PolarHBondContact OG-O 2.98Å; S88-V90 VanDerWaalsContact OG-O 3.1Å
89V66.3Low66.2Low141 Ų141136.2 Ų136.286%0.85569%0.694SS**SBendtrans-53.5-23.6175.1-174.60000110.6Y87 R91Y87-V89 HydrophobicContact CD2-CG2 4.46Å; Y87-V89 PolarHBondContact O-N 3.07Å; Y87-V89 VanDerWaalsContact O-N 3.07Å; V89-R91 PolarHBondContact O-N 3.31Å
90V66Low66.2Low110 Ų110138 Ų13867%0.66771%0.706SS**SBendtrans-76.5116.7170-171.30000110.9S88 R92S88-V90 CarbonylContact O-C 3.49Å; S88-V90 PolarHBondContact O-N 3.11Å; S88-V90 VanDerWaalsContact O-O 3.12Å; S88-V90 PolarHBondContact OG-O 2.98Å; S88-V90 VanDerWaalsContact OG-O 3.1Å; V90-R92 PolarHBondContact O-N 3.09Å; V90-R92 VanDerWaalsContact O-N 3.07Å
91R62.2Low66.4Low236 Ų236140.7 Ų140.789%0.89171%0.707SS**  trans-49.6117.1165.3-75.5-176.6176.1177.2-0.4108.6V89 R93V89-R91 PolarHBondContact O-N 3.31Å; R91-R93 PolarHBondContact O-N 2.84Å
92R65.4Low67.1Low218 Ų218143 Ų14382%0.82371%0.705SS**  trans-57.2114.5174.7-71.4-173.9177.2-174.6-0.3108V90V90-R92 PolarHBondContact O-N 3.09Å; V90-R92 VanDerWaalsContact O-N 3.07Å
93R69.1Low68.1Low227 Ų227143.5 Ų143.586%0.85770%0.699SS**  trans-54.3139.1176.5-66.4-178.8-179-179.5-0.3108.8R91 H95R91-R93 PolarHBondContact O-N 2.84Å; R93-H95 PolarHBondContact O-N 2.83Å
94P70.9Confident69.2Low122 Ų122145.9 Ų145.979%0.79270%0.703SS**  trans-56.2126.9175.822.7-31.9000109.1K96P94-K96 PolarHBondContact O-N 3.12Å; P94-K96 VanDerWaalsContact O-N 3.08Å
95H67.6Low70.3Confident161 Ų161147.6 Ų147.675%0.74570%0.699SS**  trans-67.6110.1177.3-179.6-81.3000108.1R93 E97R93-H95 PolarHBondContact O-N 2.83Å; H95-E97 PolarHBondContact O-N 3.09Å
96K71Confident71.7Confident190 Ų190144.4 Ų144.483%0.82669%0.69SS**  trans-62.8108.1172-67.6-175.8-180-177.60107.9P94 L98P94-K96 PolarHBondContact O-N 3.12Å; P94-K96 VanDerWaalsContact O-N 3.08Å; K96-L98 PolarHBondContact O-N 3.13Å
97E69.4Low73.2Confident179 Ų179140.6 Ų140.684%0.83667%0.667SS**  trans-64.7106.1173.6-66.4-169.1172.700108.9H95 A99H95-E97 PolarHBondContact O-N 3.09Å; E97-A99 PolarHBondContact O-N 3.35Å
98L68Low74.7Confident119 Ų119139.7 Ų139.762%0.62367%0.67SS**  trans-62.2121.6170.7-72169000108K96K96-L98 PolarHBondContact O-N 3.13Å
99A72.5Confident76.3Confident49 Ų49140 Ų14041%0.40566%0.661SS.*  trans-48.4131.8173.300000109.4E97 K101 K102E97-A99 PolarHBondContact O-N 3.35Å; A99-K101 PolarHBondContact O-N 3.4Å; A99-K102 HydrophobicContact CB-CD 4.32Å; A99-K102 HydrophobicContact CB-CG 4.29Å; A99-K102 WeakPolarHBondContact O-CB 3.11Å; A99-K102 PolarHBondContact O-N 3.03Å
100P69.7Low77.6Confident98 Ų98141.4 Ų141.464%0.63666%0.656SS**G310 helixtrans-58.3-23.3-167.319.8-32.9000113.5K102 N106P100-K102 VanDerWaalsContact C-N 3.32Å; P100-K102 PolarHBondContact O-N 3.11Å; P100-N106 PolarHBondContact O-ND2 3.3Å
101K71.9Confident79Confident183 Ų183139.2 Ų139.280%0.79664%0.64SS**G310 helixtrans-71.9-19.5176.6-63.8-179.4-179.2174.80114.1A99A99-K101 PolarHBondContact O-N 3.4Å
102K81.4Confident80.5Confident146 Ų146132.4 Ų132.464%0.63562%0.617SS**G310 helixtrans-85.8-3.7-177.8-62.8-174.7177.5-174.80114.1A99 P100 H107A99-K102 HydrophobicContact CB-CD 4.32Å; A99-K102 HydrophobicContact CB-CG 4.29Å; A99-K102 WeakPolarHBondContact O-CB 3.11Å; A99-K102 PolarHBondContact O-N 3.03Å; P100-K102 VanDerWaalsContact C-N 3.32Å; P100-K102 PolarHBondContact O-N 3.11Å; K102-H107 PolarHBondContact O-NE2 3.31Å; K102-H107 VanDerWaalsContact O-NE2 3.1Å
103L87Confident81.9Confident66 Ų66128 Ų12835%0.34662%0.617SS.*SBendtrans-73.7135.2176.2-64.3171.6000109.6K105 N106 H107L103-K105 HydrophobicContact CB-CG 4.04Å; L103-K105 PolarHBondContact O-N 2.83Å; L103-N106 PolarHBondContact O-N 3.08Å; L103-H107 PolarHBondContact O-CD2 3.07Å; L103-H107 VanDerWaalsContact O-CD2 3.27Å
104F90Very high83.1Confident128 Ų128119.6 Ų119.656%0.56159%0.593SS**G310 helixtrans-49.6-38.4-178.8179-102.8000112.9N106 H107 R109 S141F104-N106 PolarHBondContact O-N 3.21Å; F104-N106 VanDerWaalsContact O-N 3.15Å; F104-H107 PolarHBondContact O-N 3.39Å; F104-R109 PolarHBondContact O-NH2 3.08Å; F104-S141 WeakPolarHBondContact CZ-O 3.48Å
105K89.4Confident84.2Confident152 Ų152114 Ų11466%0.66156%0.556SS**G310 helixtrans-59.9-22.3178.565.2178.3-176.8-1750114.8L103L103-K105 HydrophobicContact CB-CG 4.04Å; L103-K105 PolarHBondContact O-N 2.83Å
106N88.8Confident85.5Confident89 Ų89108.5 Ų108.548%0.47653%0.534SS..G310 helixtrans-105.2-5.4-175.3-67-21.7000113.4P100 L103 F104P100-N106 PolarHBondContact O-ND2 3.3Å; L103-N106 PolarHBondContact O-N 3.08Å; F104-N106 PolarHBondContact O-N 3.21Å; F104-N106 VanDerWaalsContact O-N 3.15Å
107H90.4Very high86.6Confident85 Ų85103.9 Ų103.939%0.39452%0.523SS..SBendtrans-65141.3177.3-72.4-175000111.3K102 L103 F104K102-H107 PolarHBondContact O-NE2 3.31Å; K102-H107 VanDerWaalsContact O-NE2 3.1Å; L103-H107 PolarHBondContact O-CD2 3.07Å; L103-H107 VanDerWaalsContact O-CD2 3.27Å; F104-H107 PolarHBondContact O-N 3.39Å
108Q90.6Very high87.8Confident172 Ų17295.3 Ų95.380%0.80448%0.483SS*.  trans-68137.6172.1-65.5-177.8-8.300110.3
109R93.7Very high89.1Confident70 Ų7089.7 Ų89.726%0.26445%0.453SS..  trans-99.6110.7175.6-53.5-51.5-179.9-144.4-7.4108.9F104 K140 S141F104-R109 PolarHBondContact O-NH2 3.08Å; R109-K140 PolarHBondContact NE-O 3.14Å; R109-K140 VanDerWaalsContact NE-O 3.09Å; R109-S141 VanDerWaalsContact NE-C 3.34Å; R109-S141 PolarHBondContact NE-O 3.05Å; R109-S141 VanDerWaalsContact NE-O 3.15Å
110K94.1Very high90.3Very high170 Ų17087.3 Ų87.374%0.73943%0.434SS*.  trans-92145.5172.4-62.8-178.9-178.91770108.4Q138 Q162K110-Q138 PolarHBondContact O-NE2 3.15Å; K110-Q162 PolarHBondContact O-OE1 2.94Å
111L95.6Very high91.6Very high63 Ų6382.7 Ų82.733%0.3340%0.404SS..  trans-119.2141.5175.1-170.363.8000108L115 F135 Q138 L144L111-L115 HydrophobicContact CD1-CB 3.92Å; L111-L115 HydrophobicContact CD1-CD1 3.78Å; L111-L115 HydrophobicContact CD2-CB 4.33Å; L111-L115 VanDerWaalsContact CD2-O 3.28Å; L111-L115 WeakPolarHBondContact CD2-O 3.02Å; L111-L115 HydrophobicContact CG-CB 3.98Å; L111-F135 HydrophobicContact CD1-CZ 4.23Å; L111-F135 HydrophobicContact CD2-CE1 4.15Å; L111-F135 HydrophobicContact CD2-CZ 4.06Å; L111-Q138 HydrophobicContact CD1-CB 4.46Å; L111-Q138 HydrophobicContact CD1-CG 4.45Å; L111-L144 HydrophobicContact CD1-CD2 3.5Å; L111-L144 VanDerWaalsContact CD1-CD2 3.5Å
112K94.8Very high92.8Very high94 Ų9474 Ų7441%0.40937%0.366SS..  trans-63.8140.6174.2-93.8162.9-176.7-166.80108S114 L115 Q162K112-S114 PolarHBondContact O-N 3.24Å; K112-L115 HydrophobicContact CB-CD1 4.09Å; K112-L115 HydrophobicContact CB-CG 4.15Å; K112-L115 PolarHBondContact O-N 2.98Å; K112-Q162 HydrophobicContact CD-CG 3.98Å; K112-Q162 HydrophobicContact CG-CG 4.44Å
113P94Very high93.5Very high126 Ų12667.1 Ų67.182%0.81834%0.336SS*.THydrogen-bonded Turntrans-62.7-27.9-178.924.8-33.8000113.1L115P113-L115 PolarHBondContact O-N 3.02Å
114S94.1Very high93.9Very high50 Ų5067.4 Ų67.435%0.3534%0.338SS..THydrogen-bonded Turntrans-65.9-20.4174.556.30000113.6K112 T116K112-S114 PolarHBondContact O-N 3.24Å; S114-T116 PolarHBondContact O-N 3.2Å
115L94.8Very high94.2Very high5 Ų563.1 Ų63.13%0.02633%0.326CS..  trans-91.583.9-176.6-62.8176.8000111L111 K112 P113 V121 F135 L144 Q162 V165L111-L115 HydrophobicContact CD1-CB 3.92Å; L111-L115 HydrophobicContact CD1-CD1 3.78Å; L111-L115 HydrophobicContact CD2-CB 4.33Å; L111-L115 VanDerWaalsContact CD2-O 3.28Å; L111-L115 WeakPolarHBondContact CD2-O 3.02Å; L111-L115 HydrophobicContact CG-CB 3.98Å; K112-L115 HydrophobicContact CB-CD1 4.09Å; K112-L115 HydrophobicContact CB-CG 4.15Å; K112-L115 PolarHBondContact O-N 2.98Å; P113-L115 PolarHBondContact O-N 3.02Å; L115-V121 HydrophobicContact CD2-CG2 3.67Å; L115-F135 HydrophobicContact CB-CD1 4.2Å; L115-F135 HydrophobicContact CB-CE1 4.09Å; L115-F135 WeakPolarHBondContact O-CE1 3.29Å; L115-L144 HydrophobicContact CD1-CD1 3.64Å; L115-L144 HydrophobicContact CD1-CD2 4.14Å; L115-Q162 HydrophobicContact CD1-CB 4.45Å; L115-Q162 HydrophobicContact CD1-CG 3.69Å; L115-V165 HydrophobicContact CD2-CG1 3.87Å
116T93.7Very high94.4Very high45 Ų4558 Ų5828%0.27632%0.317SS..  trans-99.4146171.956.10000111.2S114 G118 T119 F135 K171S114-T116 PolarHBondContact O-N 3.2Å; T116-G118 PolarHBondContact O-N 2.94Å; T116-T119 WeakPolarHBondContact CA-OG1 3.07Å; T116-T119 PolarHBondContact N-OG1 2.73Å; T116-T119 VanDerWaalsContact N-OG1 3.09Å; T116-T119 VanDerWaalsContact O-CB 3.22Å; T116-T119 WeakPolarHBondContact O-CB 3.32Å; T116-T119 PolarHBondContact O-N 2.69Å; T116-T119 PolarHBondContact O-OG1 2.76Å; T116-T119 PolarHBondContact OG1-OG1 2.81Å; T116-F135 WeakPolarHBondContact O-CD1 3.03Å; T116-K171 WeakPolarHBondContact OG1-CD 3.18Å; T116-K171 WeakPolarHBondContact OG1-CE 3.42Å; T116-K171 PolarHBondContact OG1-NZ 2.93Å
117P94.3Very high94.6Very high92 Ų9260.8 Ų60.860%0.59733%0.331SS*.THydrogen-bonded Turntrans-50.9127.4176.7-25.934.9000111.4
118G94.7Very high94.9Very high0 Ų057.8 Ų57.80%032%0.317CS..THydrogen-bonded Turntrans93.3-8.2-174.600000115.5T116 F135 L172T116-G118 PolarHBondContact O-N 2.94Å; G118-F135 PolarHBondContact N-O 2.89Å; G118-L172 VanDerWaalsContact CA-O 3.31Å; G118-L172 WeakPolarHBondContact CA-O 3.37Å; G118-L172 PolarHBondContact O-N 3Å
119T96.1Very high95.1Very high0 Ų058.5 Ų58.50%031%0.312CS..EExtended strand (participates in β ladder)trans-65.4136.9177.6-49.60000110.8T116 F135 T168 K171T116-T119 WeakPolarHBondContact CA-OG1 3.07Å; T116-T119 PolarHBondContact N-OG1 2.73Å; T116-T119 VanDerWaalsContact N-OG1 3.09Å; T116-T119 VanDerWaalsContact O-CB 3.22Å; T116-T119 WeakPolarHBondContact O-CB 3.32Å; T116-T119 PolarHBondContact O-N 2.69Å; T116-T119 PolarHBondContact O-OG1 2.76Å; T116-T119 PolarHBondContact OG1-OG1 2.81Å; T119-F135 WeakPolarHBondContact O-CB 3.46Å; T119-F135 PolarHBondContact O-N 3.28Å; T119-T168 WeakPolarHBondContact CG2-O 3.42Å; T119-K171 HydrophobicContact CG2-CG 4.36Å
120I96.3Very high95.1Very high0 Ų055.7 Ų55.70%031%0.305CS..EExtended strand (participates in β ladder)trans-76.1138.7172.2-56.1178.6000108.8R132 C133 T168 T170 L172 I241 Y244 L245I120-R132 HydrophobicContact CG2-CB 4.03Å; I120-C133 CarbonylContact C-O 3.43Å; I120-C133 WeakPolarHBondContact CA-O 3.33Å; I120-T168 PolarHBondContact O-N 3.04Å; I120-T168 PolarHBondContact O-OG1 2.81Å; I120-T170 HydrophobicContact CD1-CG2 3.7Å; I120-T170 HydrophobicContact CG1-CG2 4.47Å; I120-T170 PolarHBondContact N-O 3.01Å; I120-L172 HydrophobicContact CD1-CG 4.48Å; I120-L172 HydrophobicContact CG1-CG 4.42Å; I120-I241 HydrophobicContact CD1-CD1 4.49Å; I120-Y244 HydrophobicContact CB-CE1 4.5Å; I120-Y244 HydrophobicContact CD1-CD1 4Å; I120-Y244 HydrophobicContact CD1-CE1 4.06Å; I120-Y244 HydrophobicContact CG2-CD1 4.46Å; I120-Y244 HydrophobicContact CG2-CE1 3.87Å; I120-L245 HydrophobicContact CD1-CD2 4.11Å; I120-L245 HydrophobicContact CG1-CD2 4.38Å; I120-L245 HydrophobicContact CG2-CD2 3.98Å
121V97.2Very high95.3Very high0 Ų050.5 Ų50.50%028%0.283CS..EExtended strand (participates in β ladder)trans-131.3129.4-169.4153.10000108.5L115 R132 C133 F135 V165 I166L115-V121 HydrophobicContact CD2-CG2 3.67Å; V121-R132 CarbonylContact O-C 3.52Å; V121-R132 WeakPolarHBondContact O-CA 3.31Å; V121-C133 WeakPolarHBondContact CA-O 3.22Å; V121-C133 PolarHBondContact N-O 2.96Å; V121-C133 PolarHBondContact O-N 3.41Å; V121-F135 HydrophobicContact CG2-CB 3.92Å; V121-V165 HydrophobicContact CB-CG1 4.06Å; V121-V165 HydrophobicContact CG1-CB 3.89Å; V121-V165 HydrophobicContact CG1-CG1 3.23Å; V121-V165 HydrophobicContact CG1-CG2 3.54Å; V121-V165 HydrophobicContact CG2-CG1 3.71Å; V121-I166 CarbonylContact C-O 3.6Å; V121-I166 VanDerWaalsContact CA-O 3.29Å; V121-I166 WeakPolarHBondContact CA-O 3.47Å
122I97Very high95.4Very high1 Ų148.8 Ų48.81%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-89120.5170.6-56.6165.2000107.9L124 R132 V165 I166 T168 W249 F262I122-L124 HydrophobicContact CG2-CD2 4.28Å; I122-R132 HydrophobicContact CG1-CG 4.37Å; I122-V165 WeakPolarHBondContact O-CA 3.32Å; I122-I166 HydrophobicContact CB-CB 4.23Å; I122-I166 PolarHBondContact N-O 2.97Å; I122-I166 PolarHBondContact O-N 3.07Å; I122-I166 VanDerWaalsContact O-N 3.07Å; I122-T168 HydrophobicContact CD1-CG2 3.91Å; I122-T168 HydrophobicContact CG1-CG2 4.04Å; I122-W249 HydrophobicContact CD1-CB 4.32Å; I122-W249 HydrophobicContact CD1-CD2 4.14Å; I122-W249 HydrophobicContact CD1-CG 3.83Å; I122-W249 HydrophobicContact CG1-CB 4.44Å; I122-W249 HydrophobicContact CG1-CG 4.44Å; I122-W249 HydrophobicContact CG2-CB 3.83Å; I122-W249 HydrophobicContact CG2-CD2 3.92Å; I122-W249 HydrophobicContact CG2-CE3 3.75Å; I122-W249 HydrophobicContact CG2-CG 3.98Å; I122-F262 HydrophobicContact CD1-CD1 3.9Å; I122-F262 HydrophobicContact CD1-CE1 4.15Å
123T96.9Very high95.4Very high1 Ų144.3 Ų44.31%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-82.9124.2176.4-610000109.8A125 H128 R129 G130 K131 I160T123-A125 WeakPolarHBondContact CG2-O 3.42Å; T123-H128 WeakPolarHBondContact CB-O 3.26Å; T123-R129 CarbonylContact O-C 3.6Å; T123-R129 VanDerWaalsContact O-CA 3.31Å; T123-R129 WeakPolarHBondContact O-CA 3.33Å; T123-G130 PolarHBondContact O-N 3.21Å; T123-K131 PolarHBondContact N-O 3.4Å; T123-I160 HydrophobicContact CG2-CD1 3.81Å; T123-I160 WeakPolarHBondContact OG1-CD1 3.45Å
124L96.2Very high95.5Very high73 Ų7338.3 Ų38.338%0.38221%0.213SC..  trans-94.9-26.3-178.7-61.7-179.8000113.6I122 R129 Y164 I166 W249I122-L124 HydrophobicContact CG2-CD2 4.28Å; L124-R129 WeakPolarHBondContact O-CB 3.42Å; L124-Y164 PolarHBondContact N-O 3.44Å; L124-I166 HydrophobicContact CD1-CD1 4.08Å; L124-I166 HydrophobicContact CD1-CG1 3.83Å; L124-I166 HydrophobicContact CD2-CD1 3.88Å; L124-I166 HydrophobicContact CD2-CG1 4.22Å; L124-I166 HydrophobicContact CG-CD1 4.34Å; L124-I166 HydrophobicContact CG-CG1 4.17Å; L124-W249 HydrophobicContact CD2-CE3 4.35Å; L124-W249 HydrophobicContact CD2-CZ3 3.85Å
125A95.1Very high95.7Very high38 Ų3836 Ų3631%0.31420%0.197SC..SBendtrans-122.6148.5-172.600000113.7T123 Y164T123-A125 WeakPolarHBondContact CG2-O 3.42Å; A125-Y164 HydrophobicContact CB-CD1 3.85Å; A125-Y164 HydrophobicContact CB-CD2 4.11Å; A125-Y164 HydrophobicContact CB-CG 3.62Å
126G94.2Very high95.7Very high45 Ų4536 Ų3646%0.46420%0.197SC..SBendtrans92.4-167.2176.200000113.9H128 R129G126-H128 PolarHBondContact O-N 2.94Å; G126-R129 PolarHBondContact O-N 3.47Å
127L93.3Very high95.7Very high147 Ų14736.1 Ų36.177%0.7719%0.194SC*.THydrogen-bonded Turntrans-61.7-25.5-176.5-176.162.3000113.5
128H95.3Very high95.8Very high21 Ų2134.5 Ų34.510%0.09718%0.178CC..THydrogen-bonded Turntrans-104.928.3-178.6-55.4-67.8000112.1T123 G126 K131 G154 C155T123-H128 WeakPolarHBondContact CB-O 3.26Å; G126-H128 PolarHBondContact O-N 2.94Å; H128-K131 HydrophobicContact CB-CB 4.4Å; H128-K131 HydrophobicContact CB-CD 3.99Å; H128-K131 HydrophobicContact CB-CG 4.26Å; H128-K131 WeakPolarHBondContact O-CB 3.46Å; H128-K131 PolarHBondContact O-N 3.5Å; H128-G154 PolarHBondContact CE1-O 3.05Å; H128-C155 HydrophobicContact CB-CB 4.44Å; H128-C155 VanDerWaalsContact CG-SG 3.55Å
129R95.3Very high95.8Very high187 Ų18734.9 Ų34.971%0.70618%0.18SC*.THydrogen-bonded Turntrans-57.5145.2173.967.4178.2-173.1-110.12111T123 L124 G126 K131T123-R129 CarbonylContact O-C 3.6Å; T123-R129 VanDerWaalsContact O-CA 3.31Å; T123-R129 WeakPolarHBondContact O-CA 3.33Å; L124-R129 WeakPolarHBondContact O-CB 3.42Å; G126-R129 PolarHBondContact O-N 3.47Å; R129-K131 PolarHBondContact O-N 3.33Å; R129-K131 VanDerWaalsContact O-N 3.11Å
130G95.3Very high95.7Very high11 Ų1143.5 Ų43.511%0.11322%0.217CC..THydrogen-bonded Turntrans74.1-19.3-173.700000114.3T123 R132 W249T123-G130 PolarHBondContact O-N 3.21Å; G130-R132 PolarHBondContact O-N 3.04Å; G130-W249 VanDerWaalsContact CA-O 3.24Å; G130-W249 WeakPolarHBondContact CA-O 3.44Å; G130-W249 WeakPolarHBondContact O-CB 3.45Å; G130-W249 PolarHBondContact O-N 3.03Å
131K96.9Very high95.5Very high62 Ų6244.7 Ų44.727%0.2723%0.226SC..  trans-70.9137.9-176.8-58.5-164178.6-164.90111.6T123 H128 R129 N153 C155T123-K131 PolarHBondContact N-O 3.4Å; H128-K131 HydrophobicContact CB-CB 4.4Å; H128-K131 HydrophobicContact CB-CD 3.99Å; H128-K131 HydrophobicContact CB-CG 4.26Å; H128-K131 WeakPolarHBondContact O-CB 3.46Å; H128-K131 PolarHBondContact O-N 3.5Å; R129-K131 PolarHBondContact O-N 3.33Å; R129-K131 VanDerWaalsContact O-N 3.11Å; K131-N153 VanDerWaalsContact CD-O 3.32Å; K131-N153 WeakPolarHBondContact CD-O 3.32Å; K131-N153 WeakPolarHBondContact CE-O 3.47Å; K131-N153 PolarHBondContact NZ-O 2.75Å; K131-C155 HydrophobicContact CD-CB 4.38Å
132R97Very high95.4Very high27 Ų2745.3 Ų45.310%0.10223%0.232CC..EExtended strand (participates in β ladder)trans-88.4119.5174.2-52.7-161.8-176.592-1.8109.4I120 V121 I122 G130 N153 Y244 L245 T247I120-R132 HydrophobicContact CG2-CB 4.03Å; V121-R132 CarbonylContact O-C 3.52Å; V121-R132 WeakPolarHBondContact O-CA 3.31Å; I122-R132 HydrophobicContact CG1-CG 4.37Å; G130-R132 PolarHBondContact O-N 3.04Å; R132-N153 PolarHBondContact O-ND2 2.84Å; R132-Y244 VanDerWaalsContact CD-CE1 3.4Å; R132-Y244 VanDerWaalsContact CD-O 3.28Å; R132-Y244 WeakPolarHBondContact CD-O 3.47Å; R132-Y244 PolarHBondContact NH1-O 3.4Å; R132-L245 HydrophobicContact CB-CD2 4.23Å; R132-T247 PolarHBondContact NH1-O 2.96Å
133C96.5Very high95.4Very high0 Ų047.6 Ų47.60%024%0.244CC..EExtended strand (participates in β ladder)trans-129.3160.7-172.7-57.60000110.4I120 V121 V146 C155I120-C133 CarbonylContact C-O 3.43Å; I120-C133 WeakPolarHBondContact CA-O 3.33Å; V121-C133 WeakPolarHBondContact CA-O 3.22Å; V121-C133 PolarHBondContact N-O 2.96Å; V121-C133 PolarHBondContact O-N 3.41Å; C133-V146 HydrophobicContact CB-CG1 3.12Å; C133-C155 VanDerWaalsContact SG-SG 3.67Å
134V96.2Very high95.4Very high0 Ų047.6 Ų47.60%024%0.244CC..EExtended strand (participates in β ladder)trans-96.4127.7-179.7-173.90000109.8L136 V146 T147 L172 I228 L245V134-L136 HydrophobicContact CG1-CD2 4.44Å; V134-V146 WeakPolarHBondContact O-CA 3.28Å; V134-T147 PolarHBondContact N-O 3.16Å; V134-T147 PolarHBondContact O-N 3.11Å; V134-L172 HydrophobicContact CG1-CD1 4.34Å; V134-L172 HydrophobicContact CG2-CD1 3.71Å; V134-I228 HydrophobicContact CB-CD1 4.49Å; V134-I228 HydrophobicContact CG2-CG2 4.29Å; V134-L245 HydrophobicContact CG2-CD2 4.39Å
135F96.6Very high95.4Very high2 Ų244.1 Ų44.11%0.00923%0.226CC..EExtended strand (participates in β ladder)trans-78.6126.8173.4173.7-121.2000110.9L111 L115 T116 G118 T119 V121 K137 Q138 L144 V146L111-F135 HydrophobicContact CD1-CZ 4.23Å; L111-F135 HydrophobicContact CD2-CE1 4.15Å; L111-F135 HydrophobicContact CD2-CZ 4.06Å; L115-F135 HydrophobicContact CB-CD1 4.2Å; L115-F135 HydrophobicContact CB-CE1 4.09Å; L115-F135 WeakPolarHBondContact O-CE1 3.29Å; T116-F135 WeakPolarHBondContact O-CD1 3.03Å; G118-F135 PolarHBondContact N-O 2.89Å; T119-F135 WeakPolarHBondContact O-CB 3.46Å; T119-F135 PolarHBondContact O-N 3.28Å; V121-F135 HydrophobicContact CG2-CB 3.92Å; F135-K137 WeakPolarHBondContact CE2-O 3.49Å; F135-Q138 HydrophobicContact CZ-CB 4.47Å; F135-L144 HydrophobicContact CD2-CB 3.9Å; F135-L144 HydrophobicContact CD2-CD1 4.35Å; F135-L144 HydrophobicContact CD2-CD2 4.25Å; F135-L144 HydrophobicContact CD2-CG 4.38Å; F135-L144 HydrophobicContact CE2-CB 3.76Å; F135-L144 HydrophobicContact CE2-CD1 4.41Å; F135-L144 HydrophobicContact CE2-CD2 3.51Å; F135-L144 HydrophobicContact CE2-CG 4.06Å; F135-L144 HydrophobicContact CZ-CD2 3.99Å; F135-V146 HydrophobicContact CD2-CG2 4.41Å
136L95Very high95.4Very high5 Ų542.3 Ų42.33%0.02621%0.211CC..EExtended strand (participates in β ladder)trans-102.3-57.8-177.8-59.2179000112.5V134 L145 T147 L157 L174 V179 V224 I228V134-L136 HydrophobicContact CG1-CD2 4.44Å; L136-L145 HydrophobicContact CB-CD2 4.48Å; L136-L145 HydrophobicContact CB-CG 4.45Å; L136-L145 HydrophobicContact CD1-CD2 4.2Å; L136-L145 HydrophobicContact CD1-CG 4.21Å; L136-L145 PolarHBondContact N-O 3.33Å; L136-T147 HydrophobicContact CD1-CG2 3.77Å; L136-T147 HydrophobicContact CD2-CG2 4.1Å; L136-T147 HydrophobicContact CG-CG2 4.03Å; L136-L157 HydrophobicContact CD1-CD2 3.68Å; L136-L174 HydrophobicContact CD2-CD1 3.96Å; L136-V179 HydrophobicContact CB-CG2 3.99Å; L136-V224 HydrophobicContact CD1-CG1 3.74Å; L136-I228 HydrophobicContact CD2-CD1 4.26Å
137K94.6Very high95.5Very high47 Ų4740.1 Ų40.120%0.20419%0.189CC..EExtended strand (participates in β ladder)trans-157155.4-177.967.5174.6-178177.20111.9F135 L145 V179 L183F135-K137 WeakPolarHBondContact CE2-O 3.49Å; K137-L145 HydrophobicContact CD-CD2 4.41Å; K137-L145 HydrophobicContact CG-CB 3.99Å; K137-L145 HydrophobicContact CG-CD2 4.01Å; K137-L145 WeakPolarHBondContact O-CB 3.44Å; K137-L145 PolarHBondContact O-N 3.31Å; K137-V179 HydrophobicContact CD-CB 4.07Å; K137-V179 HydrophobicContact CD-CG1 3.92Å; K137-V179 HydrophobicContact CD-CG2 4.4Å; K137-V179 HydrophobicContact CG-CG1 4.46Å; K137-L183 WeakPolarHBondContact CE-O 3.4Å; K137-L183 PolarHBondContact NZ-O 3.3Å
138Q95.3Very high95.6Very high57 Ų5733.1 Ų33.127%0.26615%0.152SC..EExtended strand (participates in β ladder)trans-80.2133.4165.2-167176.731.700110K110 L111 F135 G142K110-Q138 PolarHBondContact O-NE2 3.15Å; L111-Q138 HydrophobicContact CD1-CB 4.46Å; L111-Q138 HydrophobicContact CD1-CG 4.45Å; F135-Q138 HydrophobicContact CZ-CB 4.47Å; Q138-G142 PolarHBondContact NE2-O 3.12Å
139L95.4Very high95.5Very high8 Ų832.1 Ų32.14%0.04215%0.148CC..  trans-84166.6174.4-62.6178.5000111.4S141 G142 L143 L145 R159 D185 F188L139-S141 PolarHBondContact O-N 3.1Å; L139-G142 WeakPolarHBondContact O-CA 3.36Å; L139-G142 PolarHBondContact O-N 3.23Å; L139-L143 WeakPolarHBondContact CB-O 3.28Å; L139-L143 PolarHBondContact N-O 3.15Å; L139-L145 HydrophobicContact CD2-CB 4.28Å; L139-L145 HydrophobicContact CG-CB 4.24Å; L139-R159 HydrophobicContact CD1-CG 3.52Å; L139-D185 WeakPolarHBondContact CB-OD2 3.35Å; L139-F188 HydrophobicContact CD1-CD2 4.47Å
140K93.3Very high95.5Very high181 Ų18127 Ų2779%0.78713%0.133SC*.THydrogen-bonded Turntrans-63.4-30.7-177.8-171.9178.7179-177.50112.3R109 G142 D185R109-K140 PolarHBondContact NE-O 3.14Å; R109-K140 VanDerWaalsContact NE-O 3.09Å; K140-G142 PolarHBondContact O-N 3.36Å; K140-D185 PolarHBondContact N-OD2 3.19Å
141S93.7Very high95.4Very high25 Ų2535.4 Ų35.418%0.17517%0.167CC..THydrogen-bonded Turntrans-64.5-17.2171.560.70000114F104 R109 L139 L143 D185F104-S141 WeakPolarHBondContact CZ-O 3.48Å; R109-S141 VanDerWaalsContact NE-C 3.34Å; R109-S141 PolarHBondContact NE-O 3.05Å; R109-S141 VanDerWaalsContact NE-O 3.15Å; L139-S141 PolarHBondContact O-N 3.1Å; S141-L143 WeakPolarHBondContact OG-CB 3.39Å; S141-L143 WeakPolarHBondContact OG-CG 3.47Å; S141-L143 PolarHBondContact OG-N 3.22Å; S141-D185 VanDerWaalsContact CB-OD1 3.26Å; S141-D185 WeakPolarHBondContact CB-OD1 3.46Å; S141-D185 WeakPolarHBondContact CB-OD2 3.27Å; S141-D185 PolarHBondContact N-OD2 2.6Å; S141-D185 PolarHBondContact OG-OD1 3.23Å; S141-D185 PolarHBondContact OG-OD2 2.95Å
142G94.3Very high95.2Very high14 Ų1434.8 Ų34.814%0.14417%0.167CC..SBendtrans93.6-10.3-170.400000113.8Q138 L139 K140Q138-G142 PolarHBondContact NE2-O 3.12Å; L139-G142 WeakPolarHBondContact O-CA 3.36Å; L139-G142 PolarHBondContact O-N 3.23Å; K140-G142 PolarHBondContact O-N 3.36Å
143L96.5Very high95Very high49 Ų4934.1 Ų34.126%0.25717%0.165SC..PPolyproline II helixtrans-68.8149.5175.1-61.5175.5000111L139 S141 R159 N161L139-L143 WeakPolarHBondContact CB-O 3.28Å; L139-L143 PolarHBondContact N-O 3.15Å; S141-L143 WeakPolarHBondContact OG-CB 3.39Å; S141-L143 WeakPolarHBondContact OG-CG 3.47Å; S141-L143 PolarHBondContact OG-N 3.22Å; L143-R159 HydrophobicContact CB-CB 4.34Å; L143-R159 HydrophobicContact CD1-CB 4.12Å; L143-N161 HydrophobicContact CD2-CB 3.98Å
144L96.7Very high94.9Very high0 Ų035.7 Ų35.70%018%0.182CC..EExtended strand (participates in β ladder)trans-84.2133.3175.5-51.3-176.4000109.4L111 L115 F135 V146 R159 I160 Q162 V165L111-L144 HydrophobicContact CD1-CD2 3.5Å; L111-L144 VanDerWaalsContact CD1-CD2 3.5Å; L115-L144 HydrophobicContact CD1-CD1 3.64Å; L115-L144 HydrophobicContact CD1-CD2 4.14Å; F135-L144 HydrophobicContact CD2-CB 3.9Å; F135-L144 HydrophobicContact CD2-CD1 4.35Å; F135-L144 HydrophobicContact CD2-CD2 4.25Å; F135-L144 HydrophobicContact CD2-CG 4.38Å; F135-L144 HydrophobicContact CE2-CB 3.76Å; F135-L144 HydrophobicContact CE2-CD1 4.41Å; F135-L144 HydrophobicContact CE2-CD2 3.51Å; F135-L144 HydrophobicContact CE2-CG 4.06Å; F135-L144 HydrophobicContact CZ-CD2 3.99Å; L144-V146 HydrophobicContact CB-CG2 3.89Å; L144-R159 CarbonylContact O-C 3.54Å; L144-R159 VanDerWaalsContact O-CA 3.29Å; L144-R159 WeakPolarHBondContact O-CA 3.41Å; L144-I160 PolarHBondContact N-O 3.05Å; L144-I160 PolarHBondContact O-N 3.07Å; L144-Q162 HydrophobicContact CD1-CB 4.11Å; L144-Q162 HydrophobicContact CD2-CB 4.27Å; L144-Q162 HydrophobicContact CG-CB 4.17Å; L144-V165 HydrophobicContact CD1-CB 4.25Å; L144-V165 HydrophobicContact CD1-CG1 3.98Å; L144-V165 HydrophobicContact CD1-CG2 4.21Å
145L96.7Very high94.8Very high0 Ų035.7 Ų35.70%018%0.182CC..EExtended strand (participates in β ladder)trans-87117.8163.1-17964000108.3L136 K137 L139 L157 V179 L183 F188L136-L145 HydrophobicContact CB-CD2 4.48Å; L136-L145 HydrophobicContact CB-CG 4.45Å; L136-L145 HydrophobicContact CD1-CD2 4.2Å; L136-L145 HydrophobicContact CD1-CG 4.21Å; L136-L145 PolarHBondContact N-O 3.33Å; K137-L145 HydrophobicContact CD-CD2 4.41Å; K137-L145 HydrophobicContact CG-CB 3.99Å; K137-L145 HydrophobicContact CG-CD2 4.01Å; K137-L145 WeakPolarHBondContact O-CB 3.44Å; K137-L145 PolarHBondContact O-N 3.31Å; L139-L145 HydrophobicContact CD2-CB 4.28Å; L139-L145 HydrophobicContact CG-CB 4.24Å; L145-L157 HydrophobicContact CD1-CD2 4.08Å; L145-L157 HydrophobicContact CD2-CD2 4.48Å; L145-L157 HydrophobicContact CG-CD2 4.32Å; L145-V179 HydrophobicContact CD2-CG1 3.8Å; L145-L183 HydrophobicContact CD2-CB 4.19Å; L145-L183 HydrophobicContact CD2-CD1 4.33Å; L145-F188 HydrophobicContact CD1-CE1 4.42Å; L145-F188 HydrophobicContact CD1-CE2 3.55Å; L145-F188 HydrophobicContact CD1-CZ 3.49Å; L145-F188 VanDerWaalsContact CD1-CZ 3.49Å
146V95.7Very high94.8Very high0 Ų038 Ų380%020%0.196CC..EExtended strand (participates in β ladder)trans-126.5148.1-174.4175.20000108.4C133 V134 F135 L144 L157 R158 I160C133-V146 HydrophobicContact CB-CG1 3.12Å; V134-V146 WeakPolarHBondContact O-CA 3.28Å; F135-V146 HydrophobicContact CD2-CG2 4.41Å; L144-V146 HydrophobicContact CB-CG2 3.89Å; V146-L157 WeakPolarHBondContact O-CA 3.37Å; V146-R158 PolarHBondContact N-O 2.88Å; V146-R158 PolarHBondContact O-N 3.05Å; V146-I160 HydrophobicContact CB-CD1 4.15Å; V146-I160 HydrophobicContact CG1-CD1 4.21Å; V146-I160 HydrophobicContact CG2-CD1 4.38Å
147T96.1Very high94.8Very high0 Ų038.5 Ų38.50%020%0.199CC..EExtended strand (participates in β ladder)trans-140.7131.1170.3-1710000108.8V134 L136 L157 Q221 V224 D225 I228V134-T147 PolarHBondContact N-O 3.16Å; V134-T147 PolarHBondContact O-N 3.11Å; L136-T147 HydrophobicContact CD1-CG2 3.77Å; L136-T147 HydrophobicContact CD2-CG2 4.1Å; L136-T147 HydrophobicContact CG-CG2 4.03Å; T147-L157 HydrophobicContact CG2-CD2 4.42Å; T147-Q221 PolarHBondContact OG1-NE2 2.76Å; T147-V224 HydrophobicContact CG2-CG1 4.01Å; T147-D225 PolarHBondContact OG1-OD1 3.49Å; T147-I228 HydrophobicContact CG2-CD1 3.1Å
148G94.7Very high94.8Very high0 Ų040.5 Ų40.50%021%0.205CC..  trans-93127.6158.800000106.4L150 N153 C155G148-L150 PolarHBondContact O-N 2.74Å; G148-N153 VanDerWaalsContact C-OD1 3.23Å; G148-N153 WeakPolarHBondContact CA-ND2 3.17Å; G148-N153 WeakPolarHBondContact CA-OD1 3.41Å; G148-N153 PolarHBondContact O-OD1 2.79Å; G148-C155 CarbonylContact C-O 3.56Å; G148-C155 PolarHBondContact N-O 2.97Å
149P94.1Very high94.9Very high0 Ų040.6 Ų40.60%020%0.203CC..  trans-47.2117.6-179.2-29.236.4000109.7K151 L152 N153 I228 F229 I232 L245P149-K151 PolarHBondContact O-N 2.83Å; P149-L152 HydrophobicContact CB-CB 4.33Å; P149-L152 HydrophobicContact CB-CD1 3.95Å; P149-L152 HydrophobicContact CB-CG 4.11Å; P149-L152 HydrophobicContact CG-CD1 4.09Å; P149-L152 PolarHBondContact O-N 2.93Å; P149-N153 PolarHBondContact O-N 3.31Å; P149-N153 PolarHBondContact O-OD1 3.13Å; P149-I228 HydrophobicContact CG-CG2 3.71Å; P149-F229 HydrophobicContact CB-CE1 4.45Å; P149-F229 HydrophobicContact CB-CE2 3.96Å; P149-F229 HydrophobicContact CB-CZ 3.79Å; P149-I232 HydrophobicContact CG-CD1 4.47Å; P149-L245 HydrophobicContact CG-CD1 4.37Å
150L94.8Very high94.9Very high78 Ų7840.7 Ų40.741%0.40820%0.204SC..Hα-helixtrans-59.2-32.9-159.9-177.770000111.2G148 G154 P156 Q221 D225G148-L150 PolarHBondContact O-N 2.74Å; L150-G154 VanDerWaalsContact O-CA 3.27Å; L150-G154 WeakPolarHBondContact O-CA 3.32Å; L150-G154 PolarHBondContact O-N 3.48Å; L150-P156 HydrophobicContact CD1-CB 4.16Å; L150-Q221 HydrophobicContact CB-CG 4.11Å; L150-Q221 HydrophobicContact CD2-CG 4.08Å; L150-D225 WeakPolarHBondContact CB-OD2 3.36Å; L150-D225 PolarHBondContact N-OD2 3.27Å
151K93Very high95Very high188 Ų18835 Ų3582%0.81718%0.182SC*.Hα-helixtrans-68.7-26.8176.6-64.1-172.2174.8-169.80114.6P149 F229P149-K151 PolarHBondContact O-N 2.83Å; K151-F229 HydrophobicContact CB-CE2 4.48Å; K151-F229 HydrophobicContact CB-CZ 4.16Å; K151-F229 HydrophobicContact CD-CE2 4.49Å
152L93.2Very high95.1Very high50 Ų5035.2 Ų35.226%0.26218%0.18SC..Hα-helixtrans-87.2-51.6-177.9-66.6179.5000111.6P149 F229 L245P149-L152 HydrophobicContact CB-CB 4.33Å; P149-L152 HydrophobicContact CB-CD1 3.95Å; P149-L152 HydrophobicContact CB-CG 4.11Å; P149-L152 HydrophobicContact CG-CD1 4.09Å; P149-L152 PolarHBondContact O-N 2.93Å; L152-F229 HydrophobicContact CD1-CE1 4.02Å; L152-F229 HydrophobicContact CD1-CZ 4.33Å; L152-F229 HydrophobicContact CD2-CE1 4.32Å; L152-F229 HydrophobicContact CG-CE1 4.02Å; L152-F229 HydrophobicContact CG-CZ 3.99Å; L152-L245 HydrophobicContact CD1-CB 4.12Å; L152-L245 HydrophobicContact CD1-CD1 4.18Å
153N92.6Very high95.2Very high12 Ų1240.2 Ų40.26%0.06420%0.202CC..Hα-helixtrans-128.61.6-169.167.814000114.3K131 R132 G148 P149 C155 L245K131-N153 VanDerWaalsContact CD-O 3.32Å; K131-N153 WeakPolarHBondContact CD-O 3.32Å; K131-N153 WeakPolarHBondContact CE-O 3.47Å; K131-N153 PolarHBondContact NZ-O 2.75Å; R132-N153 PolarHBondContact O-ND2 2.84Å; G148-N153 VanDerWaalsContact C-OD1 3.23Å; G148-N153 WeakPolarHBondContact CA-ND2 3.17Å; G148-N153 WeakPolarHBondContact CA-OD1 3.41Å; G148-N153 PolarHBondContact O-OD1 2.79Å; P149-N153 PolarHBondContact O-N 3.31Å; P149-N153 PolarHBondContact O-OD1 3.13Å; N153-C155 PolarHBondContact O-N 2.86Å; N153-C155 PolarHBondContact OD1-N 2.76Å; N153-L245 WeakPolarHBondContact CB-O 3.32Å; N153-L245 PolarHBondContact ND2-O 2.88Å
154G94.3Very high95.2Very high34 Ų3443.6 Ų43.635%0.35121%0.212SC..  trans66.616.4177.100000115.2H128 L150 P156H128-G154 PolarHBondContact CE1-O 3.05Å; L150-G154 VanDerWaalsContact O-CA 3.27Å; L150-G154 WeakPolarHBondContact O-CA 3.32Å; L150-G154 PolarHBondContact O-N 3.48Å; G154-P156 VanDerWaalsContact O-CD 3.29Å; G154-P156 WeakPolarHBondContact O-CD 3.41Å
155C95.2Very high95.2Very high0 Ų043.7 Ų43.70%021%0.213CC..  trans-94.7100.2176.1-170.70000111.1H128 K131 C133 G148 N153H128-C155 HydrophobicContact CB-CB 4.44Å; H128-C155 VanDerWaalsContact CG-SG 3.55Å; K131-C155 HydrophobicContact CD-CB 4.38Å; C133-C155 VanDerWaalsContact SG-SG 3.67Å; G148-C155 CarbonylContact C-O 3.56Å; G148-C155 PolarHBondContact N-O 2.97Å; N153-C155 PolarHBondContact O-N 2.86Å; N153-C155 PolarHBondContact OD1-N 2.76Å
156P95.7Very high95.2Very high49 Ų4945.6 Ų45.632%0.31822%0.223SC..  trans-65.7172.6-178.831.5-37.2000111.7L150 G154 R158L150-P156 HydrophobicContact CD1-CB 4.16Å; G154-P156 VanDerWaalsContact O-CD 3.29Å; G154-P156 WeakPolarHBondContact O-CD 3.41Å; P156-R158 WeakPolarHBondContact O-CB 3.42Å; P156-R158 PolarHBondContact O-N 2.91Å
157L95.9Very high95.2Very high16 Ų1646.1 Ų46.18%0.08423%0.229CC..SBendtrans-49.2113.4166.6-80.9164.8000110L136 L145 V146 T147 L183 F188 D220 Q221 V224L136-L157 HydrophobicContact CD1-CD2 3.68Å; L145-L157 HydrophobicContact CD1-CD2 4.08Å; L145-L157 HydrophobicContact CD2-CD2 4.48Å; L145-L157 HydrophobicContact CG-CD2 4.32Å; V146-L157 WeakPolarHBondContact O-CA 3.37Å; T147-L157 HydrophobicContact CG2-CD2 4.42Å; L157-L183 HydrophobicContact CD1-CD1 4.21Å; L157-F188 HydrophobicContact CB-CE1 4.19Å; L157-F188 HydrophobicContact CB-CZ 4.21Å; L157-F188 WeakPolarHBondContact O-CE1 3.43Å; L157-D220 HydrophobicContact CD1-CB 4.49Å; L157-Q221 VanDerWaalsContact CB-OE1 3.3Å; L157-V224 HydrophobicContact CD1-CB 4.26Å; L157-V224 HydrophobicContact CD1-CG2 3.94Å; L157-V224 HydrophobicContact CD2-CG1 4.22Å; L157-V224 HydrophobicContact CD2-CG2 4.37Å
158R94.7Very high95.2Very high89 Ų8946.3 Ų46.334%0.33623%0.23SC..EExtended strand (participates in β ladder)trans-140.8151.2-170.5-162.8172.1-155.8-77.33.6111.6V146 P156 I160V146-R158 PolarHBondContact N-O 2.88Å; V146-R158 PolarHBondContact O-N 3.05Å; P156-R158 WeakPolarHBondContact O-CB 3.42Å; P156-R158 PolarHBondContact O-N 2.91Å; R158-I160 HydrophobicContact CG-CG1 4.47Å
159R96Very high95.2Very high60 Ų6053.5 Ų53.523%0.22626%0.261CS..EExtended strand (participates in β ladder)trans-91.2131.1169.4-59-169.3-64.7-178.8-10110.4L139 L143 L144 D185 F188L139-R159 HydrophobicContact CD1-CG 3.52Å; L143-R159 HydrophobicContact CB-CB 4.34Å; L143-R159 HydrophobicContact CD1-CB 4.12Å; L144-R159 CarbonylContact O-C 3.54Å; L144-R159 VanDerWaalsContact O-CA 3.29Å; L144-R159 WeakPolarHBondContact O-CA 3.41Å; R159-D185 PolarHBondContact NH1-O 3.41Å; R159-D185 VanDerWaalsContact NH1-O 3.1Å; R159-D185 IonicContact NH1-OD1 2.84Å; R159-D185 PolarHBondContact NH1-OD1 2.86Å; R159-F188 HydrophobicContact CG-CB 3.79Å; R159-F188 HydrophobicContact CG-CD1 4.48Å; R159-F188 HydrophobicContact CG-CD2 3.82Å; R159-F188 HydrophobicContact CG-CG 3.78Å; R159-F188 VanDerWaalsContact NH2-C 3.31Å; R159-F188 PolarHBondContact NH2-O 3.11Å
160I95.8Very high95.3Very high10 Ų1055.5 Ų55.55%0.05127%0.273CS..EExtended strand (participates in β ladder)trans-134.9144.8178.3-55.6178000108.9T123 L144 V146 R158 V165T123-I160 HydrophobicContact CG2-CD1 3.81Å; T123-I160 WeakPolarHBondContact OG1-CD1 3.45Å; L144-I160 PolarHBondContact N-O 3.05Å; L144-I160 PolarHBondContact O-N 3.07Å; V146-I160 HydrophobicContact CB-CD1 4.15Å; V146-I160 HydrophobicContact CG1-CD1 4.21Å; V146-I160 HydrophobicContact CG2-CD1 4.38Å; R158-I160 HydrophobicContact CG-CG1 4.47Å; I160-V165 HydrophobicContact CB-CG2 4.4Å; I160-V165 HydrophobicContact CG2-CG2 3.62Å
161N96Very high95.2Very high61 Ų6156.7 Ų56.733%0.32628%0.275SS..  trans-77.5136.3173.4-172.1-13.6000109.4L143 I163 Y164L143-N161 HydrophobicContact CD2-CB 3.98Å; N161-I163 PolarHBondContact O-N 3.45Å; N161-I163 VanDerWaalsContact O-N 3.1Å; N161-I163 PolarHBondContact OD1-N 3.06Å; N161-Y164 HydrophobicContact CB-CD2 3.86Å; N161-Y164 HydrophobicContact CB-CE2 4.23Å; N161-Y164 PolarHBondContact O-N 3.27Å
162Q95.7Very high95.2Very high30 Ų3047.9 Ų47.914%0.1424%0.237CC..G310 helixtrans-54.1-25.4176.7173.5178.7-24.800114.6K110 K112 L115 L144 Y164K110-Q162 PolarHBondContact O-OE1 2.94Å; K112-Q162 HydrophobicContact CD-CG 3.98Å; K112-Q162 HydrophobicContact CG-CG 4.44Å; L115-Q162 HydrophobicContact CD1-CB 4.45Å; L115-Q162 HydrophobicContact CD1-CG 3.69Å; L144-Q162 HydrophobicContact CD1-CB 4.11Å; L144-Q162 HydrophobicContact CD2-CB 4.27Å; L144-Q162 HydrophobicContact CG-CB 4.17Å; Q162-Y164 VanDerWaalsContact C-N 3.31Å
163I96.2Very high95.1Very high119 Ų11951.4 Ų51.461%0.6126%0.256SS*.G310 helixtrans-66.3-35.7176.7-62.2174.2000111.1N161 V165N161-I163 PolarHBondContact O-N 3.45Å; N161-I163 VanDerWaalsContact O-N 3.1Å; N161-I163 PolarHBondContact OD1-N 3.06Å; I163-V165 PolarHBondContact O-N 3.04Å
164Y96.1Very high94.9Very high119 Ų11952.2 Ų52.247%0.46726%0.26SS..G310 helixtrans-93.428.5-176.1-54.9-57.6000113.2L124 A125 N161 Q162L124-Y164 PolarHBondContact N-O 3.44Å; A125-Y164 HydrophobicContact CB-CD1 3.85Å; A125-Y164 HydrophobicContact CB-CD2 4.11Å; A125-Y164 HydrophobicContact CB-CG 3.62Å; N161-Y164 HydrophobicContact CB-CD2 3.86Å; N161-Y164 HydrophobicContact CB-CE2 4.23Å; N161-Y164 PolarHBondContact O-N 3.27Å; Q162-Y164 VanDerWaalsContact C-N 3.31Å
165V96.6Very high94.3Very high3 Ų352.8 Ų52.82%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-137.5128.5-172.9152.70000108.9L115 V121 I122 L144 I160 I163L115-V165 HydrophobicContact CD2-CG1 3.87Å; V121-V165 HydrophobicContact CB-CG1 4.06Å; V121-V165 HydrophobicContact CG1-CB 3.89Å; V121-V165 HydrophobicContact CG1-CG1 3.23Å; V121-V165 HydrophobicContact CG1-CG2 3.54Å; V121-V165 HydrophobicContact CG2-CG1 3.71Å; I122-V165 WeakPolarHBondContact O-CA 3.32Å; L144-V165 HydrophobicContact CD1-CB 4.25Å; L144-V165 HydrophobicContact CD1-CG1 3.98Å; L144-V165 HydrophobicContact CD1-CG2 4.21Å; I160-V165 HydrophobicContact CB-CG2 4.4Å; I160-V165 HydrophobicContact CG2-CG2 3.62Å; I163-V165 PolarHBondContact O-N 3.04Å
166I96.4Very high93.7Very high39 Ų3956.4 Ų56.420%0.230%0.304CS..EExtended strand (participates in β ladder)trans-97.4122.5164.9-53.8177000106.8V121 I122 L124 W249 F262V121-I166 CarbonylContact C-O 3.6Å; V121-I166 VanDerWaalsContact CA-O 3.29Å; V121-I166 WeakPolarHBondContact CA-O 3.47Å; I122-I166 HydrophobicContact CB-CB 4.23Å; I122-I166 PolarHBondContact N-O 2.97Å; I122-I166 PolarHBondContact O-N 3.07Å; I122-I166 VanDerWaalsContact O-N 3.07Å; L124-I166 HydrophobicContact CD1-CD1 4.08Å; L124-I166 HydrophobicContact CD1-CG1 3.83Å; L124-I166 HydrophobicContact CD2-CD1 3.88Å; L124-I166 HydrophobicContact CD2-CG1 4.22Å; L124-I166 HydrophobicContact CG-CD1 4.34Å; L124-I166 HydrophobicContact CG-CG1 4.17Å; I166-W249 HydrophobicContact CD1-CH2 4.43Å; I166-F262 HydrophobicContact CD1-CE1 4.14Å; I166-F262 HydrophobicContact CD1-CZ 4.2Å; I166-F262 HydrophobicContact CG2-CB 3.68Å; I166-F262 HydrophobicContact CG2-CD1 3.74Å; I166-F262 HydrophobicContact CG2-CD2 4.03Å; I166-F262 HydrophobicContact CG2-CE1 4.38Å; I166-F262 HydrophobicContact CG2-CG 3.53Å
167G96Very high93.2Very high12 Ų1256.6 Ų56.612%0.12430%0.3CS..EExtended strand (participates in β ladder)trans-89.5121.1173.200000108.9
168T96.3Very high92.8Very high3 Ų365.5 Ų65.52%0.01833%0.332CS..EExtended strand (participates in β ladder)trans-84.4166.3179.4670000111.1T119 I120 I122 T170 F262T119-T168 WeakPolarHBondContact CG2-O 3.42Å; I120-T168 PolarHBondContact O-N 3.04Å; I120-T168 PolarHBondContact O-OG1 2.81Å; I122-T168 HydrophobicContact CD1-CG2 3.91Å; I122-T168 HydrophobicContact CG1-CG2 4.04Å; T168-T170 VanDerWaalsContact C-N 3.25Å; T168-T170 PolarHBondContact O-N 2.92Å; T168-F262 WeakPolarHBondContact CA-OXT 3.39Å; T168-F262 WeakPolarHBondContact CB-OXT 3.19Å
169K95.4Very high92.5Very high152 Ų15262.6 Ų62.666%0.66132%0.324SS*.EExtended strand (participates in β ladder)trans-70.1-23.1172.4-79170.1-176-172.30112.7K171 V261 F262K169-K171 PolarHBondContact O-N 3.06Å; K169-V261 HydrophobicContact CD-CG1 3.92Å; K169-F262 VanDerWaalsContact CG-O 3.32Å; K169-F262 WeakPolarHBondContact CG-O 3.27Å; K169-F262 PolarHBondContact N-O 3.36Å; K169-F262 PolarHBondContact N-OXT 3.29Å
170T94.7Very high92.2Very high42 Ų4260.7 Ų60.726%0.25832%0.32SS..EExtended strand (participates in β ladder)trans-68.9124.8-179.9-40.20000111.5I120 T168 I241I120-T170 HydrophobicContact CD1-CG2 3.7Å; I120-T170 HydrophobicContact CG1-CG2 4.47Å; I120-T170 PolarHBondContact N-O 3.01Å; T168-T170 VanDerWaalsContact C-N 3.25Å; T168-T170 PolarHBondContact O-N 2.92Å; T170-I241 HydrophobicContact CG2-CD1 3.8Å
171K93.9Very high91.9Very high103 Ų10367.9 Ų67.945%0.44835%0.35SS..EExtended strand (participates in β ladder)trans-125.6136.3-179.2-62.9177.8-172.3-1760111T116 T119 K169 R235T116-K171 WeakPolarHBondContact OG1-CD 3.18Å; T116-K171 WeakPolarHBondContact OG1-CE 3.42Å; T116-K171 PolarHBondContact OG1-NZ 2.93Å; T119-K171 HydrophobicContact CG2-CG 4.36Å; K169-K171 PolarHBondContact O-N 3.06Å; K171-R235 PolarHBondContact O-NH1 3.48Å
172L93Very high91.7Very high3 Ų371 Ų712%0.01636%0.358CS..  trans-95.8125.7168.1-60.5178.7000109G118 I120 V134 L174 I228 I232 I241G118-L172 VanDerWaalsContact CA-O 3.31Å; G118-L172 WeakPolarHBondContact CA-O 3.37Å; G118-L172 PolarHBondContact O-N 3Å; I120-L172 HydrophobicContact CD1-CG 4.48Å; I120-L172 HydrophobicContact CG1-CG 4.42Å; V134-L172 HydrophobicContact CG1-CD1 4.34Å; V134-L172 HydrophobicContact CG2-CD1 3.71Å; L172-L174 PolarHBondContact O-N 2.67Å; L172-I228 HydrophobicContact CD1-CG2 4.29Å; L172-I232 HydrophobicContact CD1-CD1 4.45Å; L172-I232 HydrophobicContact CD1-CG1 3.99Å; L172-I232 HydrophobicContact CD2-CG1 4.3Å; L172-I241 HydrophobicContact CD2-CG2 3.96Å
173D91.5Very high91.6Very high124 Ų12469.5 Ų69.566%0.66335%0.351SS*.  trans-75108.1171.7-178.822.8000110G175 A231D173-G175 PolarHBondContact O-N 2.94Å; D173-G175 PolarHBondContact OD1-N 3.44Å; D173-A231 VanDerWaalsContact O-CB 3.23Å; D173-A231 WeakPolarHBondContact O-CB 3.19Å
174L86.9Confident91.4Very high28 Ų2867.7 Ų67.715%0.14734%0.342CS..  trans-81-1.5177.5-60.1177.6000112.4L136 L172 G176 F177 I228 A231L136-L174 HydrophobicContact CD2-CD1 3.96Å; L172-L174 PolarHBondContact O-N 2.67Å; L174-G176 PolarHBondContact O-N 3.03Å; L174-F177 HydrophobicContact CB-CB 4.49Å; L174-F177 VanDerWaalsContact O-CB 3.24Å; L174-F177 WeakPolarHBondContact O-CB 3.45Å; L174-F177 PolarHBondContact O-N 2.62Å; L174-F177 VanDerWaalsContact O-N 3.09Å; L174-I228 HydrophobicContact CD2-CG1 4.21Å; L174-A231 HydrophobicContact CD2-CB 4.19Å
175G83.1Confident91.3Very high47 Ų4763.2 Ų63.249%0.48533%0.326SS..THydrogen-bonded Turntrans52-134.2-178.800000112.5D173 F177D173-G175 PolarHBondContact O-N 2.94Å; D173-G175 PolarHBondContact OD1-N 3.44Å; G175-F177 PolarHBondContact O-N 3.42Å
176G81.7Confident91.1Very high76 Ų7668.4 Ų68.478%0.78435%0.354SS*.THydrogen-bonded Turntrans-76.57178.700000115.5L174 R178L174-G176 PolarHBondContact O-N 3.03Å; G176-R178 PolarHBondContact O-N 3.4Å; G176-R178 VanDerWaalsContact O-N 3.12Å
177F85.6Confident91Very high53 Ų5368.9 Ų68.923%0.23235%0.354CS..  trans-65.5116.8-174.5-179.6-106.1000111.8L174 G175 V179 V224 A227L174-F177 HydrophobicContact CB-CB 4.49Å; L174-F177 VanDerWaalsContact O-CB 3.24Å; L174-F177 WeakPolarHBondContact O-CB 3.45Å; L174-F177 PolarHBondContact O-N 2.62Å; L174-F177 VanDerWaalsContact O-N 3.09Å; G175-F177 PolarHBondContact O-N 3.42Å; F177-V179 HydrophobicContact CE1-CG2 4.28Å; F177-V224 HydrophobicContact CE1-CG1 4.4Å; F177-V224 HydrophobicContact CE1-CG2 4.47Å; F177-V224 HydrophobicContact CZ-CB 4.45Å; F177-V224 HydrophobicContact CZ-CG2 4.08Å; F177-A227 HydrophobicContact CB-CB 4.31Å; F177-A227 HydrophobicContact CD1-CB 4.08Å; F177-A227 HydrophobicContact CD2-CB 3.32Å; F177-A227 HydrophobicContact CE1-CB 4.23Å; F177-A227 HydrophobicContact CE2-CB 3.5Å; F177-A227 VanDerWaalsContact CE2-CB 3.5Å; F177-A227 HydrophobicContact CG-CB 3.63Å; F177-A227 HydrophobicContact CZ-CB 3.96Å
178R86.4Confident90.9Very high202 Ų20269.3 Ų69.376%0.76235%0.352SS*.  trans-99.6115.6175.7-66.2-178.1-179.1-176.70.3109.9G176G176-R178 PolarHBondContact O-N 3.4Å; G176-R178 VanDerWaalsContact O-N 3.12Å
179V88.7Confident90.7Very high29 Ų2977 Ų7718%0.17638%0.381CS..  trans-53.3126.3172.7-176.80000109.6L136 K137 L145 F177 K181 L183L136-V179 HydrophobicContact CB-CG2 3.99Å; K137-V179 HydrophobicContact CD-CB 4.07Å; K137-V179 HydrophobicContact CD-CG1 3.92Å; K137-V179 HydrophobicContact CD-CG2 4.4Å; K137-V179 HydrophobicContact CG-CG1 4.46Å; L145-V179 HydrophobicContact CD2-CG1 3.8Å; F177-V179 HydrophobicContact CE1-CG2 4.28Å; V179-K181 PolarHBondContact O-N 2.92Å; V179-L183 HydrophobicContact CG1-CB 4.29Å; V179-L183 HydrophobicContact CG1-CD1 3.84Å
180P90.2Very high90.4Very high20 Ų2079.9 Ų79.913%0.1339%0.388CS..  trans-50.1132.1-179.6-29.333.8000112.8R182 L183 K223P180-R182 HydrophobicContact CB-CG 4Å; P180-R182 PolarHBondContact O-N 3.29Å; P180-R182 VanDerWaalsContact O-N 3.07Å; P180-L183 HydrophobicContact CB-CD1 4.41Å; P180-L183 HydrophobicContact CB-CG 4.33Å; P180-L183 HydrophobicContact CG-CD1 4.33Å; P180-L183 WeakPolarHBondContact O-CB 3.21Å; P180-L183 PolarHBondContact O-N 3.09Å; P180-K223 HydrophobicContact CG-CD 4.49Å
181K90.3Very high90.1Very high160 Ų16084.5 Ų84.570%0.69642%0.416SS*.THydrogen-bonded Turntrans-58.4-24-178.8-66.8178.7-171.6164.40112.9E3 V179 L183 N184E3-K181 IonicContact OE2-NZ 2.72Å; E3-K181 PolarHBondContact OE2-NZ 3.27Å; V179-K181 PolarHBondContact O-N 2.92Å; K181-L183 VanDerWaalsContact C-N 3.28Å; K181-L183 PolarHBondContact O-N 3.05Å; K181-N184 PolarHBondContact O-ND2 2.78Å; K181-N184 PolarHBondContact O-OD1 2.88Å; K181-N184 VanDerWaalsContact O-OD1 3.13Å
182R91.6Very high89.5Confident126 Ų12688.8 Ų88.848%0.47543%0.434SS..THydrogen-bonded Turntrans-67.4-24177.366.1-179.5176.6-171.21.6114P180 N184 Y187 D220P180-R182 HydrophobicContact CB-CG 4Å; P180-R182 PolarHBondContact O-N 3.29Å; P180-R182 VanDerWaalsContact O-N 3.07Å; R182-N184 PolarHBondContact O-N 3.15Å; R182-Y187 WeakPolarHBondContact O-CB 3.4Å; R182-D220 VanDerWaalsContact CZ-CG 3.43Å; R182-D220 IonicContact CZ-OD1 3.5Å; R182-D220 IonicContact CZ-OD2 3.36Å; R182-D220 IonicContact NE-OD1 2.99Å; R182-D220 PolarHBondContact NE-OD1 3.01Å; R182-D220 IonicContact NE-OD2 3.34Å; R182-D220 PolarHBondContact NE-OD2 3.1Å; R182-D220 IonicContact NH2-OD1 3.84Å; R182-D220 PolarHBondContact NH2-OD1 2.69Å; R182-D220 IonicContact NH2-OD2 3.06Å; R182-D220 PolarHBondContact NH2-OD2 2.98Å
183L92.2Very high88.8Confident0 Ų092.8 Ų92.80%047%0.468CS..  trans-77.275.3179.6-62.5178.8000110.4K137 L145 L157 V179 P180 K181 Y187 F188 D220 V224K137-L183 WeakPolarHBondContact CE-O 3.4Å; K137-L183 PolarHBondContact NZ-O 3.3Å; L145-L183 HydrophobicContact CD2-CB 4.19Å; L145-L183 HydrophobicContact CD2-CD1 4.33Å; L157-L183 HydrophobicContact CD1-CD1 4.21Å; V179-L183 HydrophobicContact CG1-CB 4.29Å; V179-L183 HydrophobicContact CG1-CD1 3.84Å; P180-L183 HydrophobicContact CB-CD1 4.41Å; P180-L183 HydrophobicContact CB-CG 4.33Å; P180-L183 HydrophobicContact CG-CD1 4.33Å; P180-L183 WeakPolarHBondContact O-CB 3.21Å; P180-L183 PolarHBondContact O-N 3.09Å; K181-L183 VanDerWaalsContact C-N 3.28Å; K181-L183 PolarHBondContact O-N 3.05Å; L183-Y187 HydrophobicContact CD2-CD1 3.89Å; L183-Y187 HydrophobicContact CD2-CD2 4.44Å; L183-Y187 HydrophobicContact CD2-CE1 3.55Å; L183-Y187 HydrophobicContact CD2-CE2 4.1Å; L183-Y187 HydrophobicContact CD2-CG 4.31Å; L183-F188 HydrophobicContact CB-CE2 4.29Å; L183-F188 HydrophobicContact CD2-CE2 4.39Å; L183-F188 HydrophobicContact CD2-CZ 4.08Å; L183-D220 HydrophobicContact CD2-CB 4.36Å; L183-V224 HydrophobicContact CD1-CG2 4.2Å
184N93.5Very high88Confident80 Ų8096.4 Ų96.443%0.42848%0.477SS..SBendtrans-116.2177.2180-66.9-27.4000111.4K181 R182 D186 Y187 F188K181-N184 PolarHBondContact O-ND2 2.78Å; K181-N184 PolarHBondContact O-OD1 2.88Å; K181-N184 VanDerWaalsContact O-OD1 3.13Å; R182-N184 PolarHBondContact O-N 3.15Å; N184-D186 PolarHBondContact O-N 3.31Å; N184-Y187 VanDerWaalsContact O-CB 3.32Å; N184-Y187 WeakPolarHBondContact O-CB 3.5Å; N184-Y187 PolarHBondContact O-N 2.89Å; N184-Y187 VanDerWaalsContact O-N 3.12Å; N184-F188 WeakPolarHBondContact O-CD2 3.48Å
185D93Very high87.4Confident25 Ų25105 Ų10513%0.13451%0.514CS..THydrogen-bonded Turntrans-57.3-34-180-76.6-64.1000114.1L139 K140 S141 R159 F188 R189L139-D185 WeakPolarHBondContact CB-OD2 3.35Å; K140-D185 PolarHBondContact N-OD2 3.19Å; S141-D185 VanDerWaalsContact CB-OD1 3.26Å; S141-D185 WeakPolarHBondContact CB-OD1 3.46Å; S141-D185 WeakPolarHBondContact CB-OD2 3.27Å; S141-D185 PolarHBondContact N-OD2 2.6Å; S141-D185 PolarHBondContact OG-OD1 3.23Å; S141-D185 PolarHBondContact OG-OD2 2.95Å; R159-D185 PolarHBondContact NH1-O 3.41Å; R159-D185 VanDerWaalsContact NH1-O 3.1Å; R159-D185 IonicContact NH1-OD1 2.84Å; R159-D185 PolarHBondContact NH1-OD1 2.86Å; D185-F188 PolarHBondContact O-N 2.74Å; D185-R189 PolarHBondContact O-N 3.2Å
186D93.2Very high86.8Confident113 Ų113110.3 Ų110.360%0.60453%0.526SS*.THydrogen-bonded Turntrans-68.6-36.3178.3-65.3-49.2000112.2N184 F188 R189N184-D186 PolarHBondContact O-N 3.31Å; D186-F188 VanDerWaalsContact C-N 3.25Å; D186-F188 PolarHBondContact O-N 2.96Å; D186-R189 VanDerWaalsContact O-CB 3.24Å; D186-R189 WeakPolarHBondContact O-CB 3.49Å; D186-R189 PolarHBondContact O-N 2.81Å; D186-R189 VanDerWaalsContact O-N 3.13Å; D186-R189 IonicContact OD1-NH1 3.46Å; D186-R189 PolarHBondContact OD1-NH1 3.27Å
187Y93.8Very high86.3Confident48 Ų48116.5 Ų116.519%0.18853%0.531CS..THydrogen-bonded Turntrans-60.3-36.4177.1178.2-87.3000112.5R182 L183 N184 I216 R217 D220R182-Y187 WeakPolarHBondContact O-CB 3.4Å; L183-Y187 HydrophobicContact CD2-CD1 3.89Å; L183-Y187 HydrophobicContact CD2-CD2 4.44Å; L183-Y187 HydrophobicContact CD2-CE1 3.55Å; L183-Y187 HydrophobicContact CD2-CE2 4.1Å; L183-Y187 HydrophobicContact CD2-CG 4.31Å; N184-Y187 VanDerWaalsContact O-CB 3.32Å; N184-Y187 WeakPolarHBondContact O-CB 3.5Å; N184-Y187 PolarHBondContact O-N 2.89Å; N184-Y187 VanDerWaalsContact O-N 3.12Å; Y187-I216 HydrophobicContact CE2-CG2 4.28Å; Y187-R217 HydrophobicContact CE1-CG 4.13Å; Y187-R217 PolarHBondContact O-NH2 3.01Å; Y187-R217 WeakPolarHBondContact OH-CA 3.33Å; Y187-R217 WeakPolarHBondContact OH-CG 3.45Å; Y187-D220 WeakPolarHBondContact CE2-OD2 3.38Å; Y187-D220 WeakPolarHBondContact OH-CB 3.46Å; Y187-D220 PolarHBondContact OH-OD2 3.1Å
188F93.9Very high85.3Confident21 Ų21120.1 Ų120.19%0.09255%0.547CS..THydrogen-bonded Turntrans-96.26.7-179.6-65.1-72.8000113.1L139 L145 L157 R159 L183 N184 D185 D186 R190L139-F188 HydrophobicContact CD1-CD2 4.47Å; L145-F188 HydrophobicContact CD1-CE1 4.42Å; L145-F188 HydrophobicContact CD1-CE2 3.55Å; L145-F188 HydrophobicContact CD1-CZ 3.49Å; L145-F188 VanDerWaalsContact CD1-CZ 3.49Å; L157-F188 HydrophobicContact CB-CE1 4.19Å; L157-F188 HydrophobicContact CB-CZ 4.21Å; L157-F188 WeakPolarHBondContact O-CE1 3.43Å; R159-F188 HydrophobicContact CG-CB 3.79Å; R159-F188 HydrophobicContact CG-CD1 4.48Å; R159-F188 HydrophobicContact CG-CD2 3.82Å; R159-F188 HydrophobicContact CG-CG 3.78Å; R159-F188 VanDerWaalsContact NH2-C 3.31Å; R159-F188 PolarHBondContact NH2-O 3.11Å; L183-F188 HydrophobicContact CB-CE2 4.29Å; L183-F188 HydrophobicContact CD2-CE2 4.39Å; L183-F188 HydrophobicContact CD2-CZ 4.08Å; N184-F188 WeakPolarHBondContact O-CD2 3.48Å; D185-F188 PolarHBondContact O-N 2.74Å; D186-F188 VanDerWaalsContact C-N 3.25Å; D186-F188 PolarHBondContact O-N 2.96Å; F188-R190 PolarHBondContact O-N 3.18Å
189R92Very high84.5Confident166 Ų166116.8 Ų116.863%0.62654%0.544SS*.PPolyproline II helixtrans-65.5134.8176.9-170169.168.4-165.47.4109.3D185 D186 V191D185-R189 PolarHBondContact O-N 3.2Å; D186-R189 VanDerWaalsContact O-CB 3.24Å; D186-R189 WeakPolarHBondContact O-CB 3.49Å; D186-R189 PolarHBondContact O-N 2.81Å; D186-R189 VanDerWaalsContact O-N 3.13Å; D186-R189 IonicContact OD1-NH1 3.46Å; D186-R189 PolarHBondContact OD1-NH1 3.27Å; R189-V191 PolarHBondContact O-N 3.21Å
190R89.8Confident83.5Confident211 Ų211124 Ų12480%0.79658%0.576SS**PPolyproline II helixtrans-67.9131.4175-66.3-175.7-178.3-178.31108.8F188F188-R190 PolarHBondContact O-N 3.18Å
191V87.3Confident82.4Confident140 Ų140128 Ų12885%0.84861%0.61SS**PPolyproline II helixtrans-74.4123.5169.8-177.10000107R189R189-V191 PolarHBondContact O-N 3.21Å
192K82.2Confident81.4Confident192 Ų192125.2 Ų125.284%0.83560%0.603SS**PPolyproline II helixtrans-94.2122.7172.3-65.8-175.7179.1-175.60107.1
193A77.8Confident80.4Confident87 Ų87123.4 Ų123.472%0.71960%0.602SS**PPolyproline II helixtrans-59.7138.3169.500000108.9K195A193-K195 PolarHBondContact O-N 3.12Å
194K75.5Confident79.4Confident200 Ų200133 Ų13387%0.8764%0.644SS**PPolyproline II helixtrans-62.9130.2170-71.7-177.9179.91770106.9Q196K194-Q196 PolarHBondContact O-N 2.87Å; K194-Q196 VanDerWaalsContact O-N 3.12Å
195K73.3Confident78.1Confident210 Ų210132.4 Ų132.491%0.91365%0.65SS**PPolyproline II helixtrans-63116.6171.1-66.5-175.5177.2-173.70107A193A193-K195 PolarHBondContact O-N 3.12Å
196Q71.1Confident76.9Confident157 Ų157134.5 Ų134.573%0.73466%0.663SS**PPolyproline II helixtrans-63.3142.5164.6-72.9172.8-34.600107.7K194 K198K194-Q196 PolarHBondContact O-N 2.87Å; K194-Q196 VanDerWaalsContact O-N 3.12Å; Q196-K198 PolarHBondContact O-N 3Å
197K70.6Confident75.8Confident207 Ų207138.2 Ų138.290%0.967%0.674SS**  trans-64.7108.4171.4-74.5-177177.5-177.80106.1
198K64.6Low74.8Confident128 Ų128145.4 Ų145.456%0.55771%0.706SS**  trans-79.7124.2176.6-68.8-169.5171.8-159.40108.2Q196Q196-K198 PolarHBondContact O-N 3Å
199N69.9Low73.9Confident132 Ų132153.3 Ų153.371%0.70674%0.744SS**  trans-84.2147.6152.3-69.1-7.8000107A201 D202N199-A201 PolarHBondContact O-N 3.21Å; N199-D202 PolarHBondContact O-N 3.38Å
200E67.9Low73.5Confident182 Ų182156.3 Ų156.385%0.8576%0.755SS**G310 helixtrans-56-22.5-169.6-75.3177.9150.100114.7D202 I203E200-D202 PolarHBondContact O-N 2.69Å; E200-I203 VanDerWaalsContact O-CD1 3.27Å; E200-I203 WeakPolarHBondContact O-CD1 3.37Å; E200-I203 WeakPolarHBondContact O-CG1 3.43Å
201A67.3Low73.3Confident102 Ų102153 Ų15384%0.84374%0.743SS**G310 helixtrans-73.2-18.4-17700000115.3N199N199-A201 PolarHBondContact O-N 3.21Å
202D68.8Low73.4Confident102 Ų102155.1 Ų155.155%0.54574%0.742SS.*G310 helixtrans-112.326.5-163.1-140.18.9000114.2N199 E200 F204 A205N199-D202 PolarHBondContact O-N 3.38Å; E200-D202 PolarHBondContact O-N 2.69Å; D202-F204 VanDerWaalsContact C-N 3.32Å; D202-F204 PolarHBondContact O-N 2.68Å; D202-A205 WeakPolarHBondContact OD1-CB 3.41Å
203I69.9Low73.8Confident89 Ų89149.8 Ų149.846%0.45673%0.725SS.*SBendtrans-67.6-31.1-170.6-63.7169000112.4E200E200-I203 VanDerWaalsContact O-CD1 3.27Å; E200-I203 WeakPolarHBondContact O-CD1 3.37Å; E200-I203 WeakPolarHBondContact O-CG1 3.43Å
204F72.5Confident74.6Confident202 Ų202148.1 Ų148.189%0.88671%0.708SS**SBendtrans-96.3-16.5-174.6-62-77000114.4D202 V206D202-F204 VanDerWaalsContact C-N 3.32Å; D202-F204 PolarHBondContact O-N 2.68Å; F204-V206 VanDerWaalsContact C-N 3.28Å; F204-V206 PolarHBondContact O-N 3Å
205A66.2Low75.4Confident66 Ų66144.5 Ų144.555%0.54569%0.694SS.*  trans-77.3-9.5179.800000114.2D202 K207D202-A205 WeakPolarHBondContact OD1-CB 3.41Å; A205-K207 PolarHBondContact O-N 3.43Å
206V68.3Low76.4Confident69 Ų69139 Ų13942%0.41867%0.674SS.*  trans-72.690.7-177.3-171.90000110.6F204 K208F204-V206 VanDerWaalsContact C-N 3.28Å; F204-V206 PolarHBondContact O-N 3Å; V206-K208 PolarHBondContact O-N 3.25Å
207K70.2Confident77.5Confident192 Ų192134.8 Ų134.884%0.83565%0.651SS**  trans-55.4111.6167.3-76.6-179.7179.9173.30108.8A205 E209A205-K207 PolarHBondContact O-N 3.43Å; K207-E209 PolarHBondContact O-N 3.41Å
208K72.3Confident78.6Confident198 Ų198131.3 Ų131.386%0.86164%0.636SS**  trans-64.697.8173.8-71.7176.6-177.11680108.7V206 R210V206-K208 PolarHBondContact O-N 3.25Å; K208-R210 PolarHBondContact O-N 3.03Å
209E74.8Confident80Confident187 Ų187133 Ų13387%0.87464%0.639SS**  trans-59110173.3-69.6-172.5163.200110K207K207-E209 PolarHBondContact O-N 3.41Å
210R83Confident81.2Confident229 Ų229126.7 Ų126.786%0.86461%0.605SS**PPolyproline II helixtrans-71.8145.6174.1-64.9-174.8-178.8-170.51.3109.3K208 K212K208-R210 PolarHBondContact O-N 3.03Å; R210-K212 PolarHBondContact O-N 2.97Å; R210-K212 VanDerWaalsContact O-N 3.16Å
211Y86.1Confident82.5Confident141 Ų141118.7 Ų118.755%0.55357%0.568SS**PPolyproline II helixtrans-60.3119.2177.5174.5-104.1000111V213 R217Y211-V213 HydrophobicContact CE1-CG2 3.95Å; Y211-R217 VanDerWaalsContact CZ-NH1 3.33Å; Y211-R217 VanDerWaalsContact OH-CD 3.26Å; Y211-R217 WeakPolarHBondContact OH-CD 3.5Å; Y211-R217 PolarHBondContact OH-NH1 2.84Å
212K89.7Confident83.8Confident186 Ų186116.8 Ų116.881%0.80955%0.552SS**PPolyproline II helixtrans-97.3133.3171.4-65.4-177.8-178.8179.10110R210 S214R210-K212 PolarHBondContact O-N 2.97Å; R210-K212 VanDerWaalsContact O-N 3.16Å; K212-S214 PolarHBondContact O-N 2.84Å
213V91Very high85Confident79 Ų79117.9 Ų117.948%0.47955%0.552SS.*  trans-72.9114.8178.5-176.80000109.2Y211 R217 K218Y211-V213 HydrophobicContact CE1-CG2 3.95Å; V213-R217 HydrophobicContact CG1-CB 3.93Å; V213-K218 HydrophobicContact CG1-CG 3.95Å
214S92.8Very high86.1Confident53 Ų53113.7 Ų113.737%0.37153%0.53SS..  trans-61.9146.6173.559.70000111.7K212 I216 R217 K218K212-S214 PolarHBondContact O-N 2.84Å; S214-I216 PolarHBondContact O-N 2.9Å; S214-R217 WeakPolarHBondContact O-CB 3.24Å; S214-R217 PolarHBondContact O-N 3.49Å; S214-R217 WeakPolarHBondContact OG-CG 3.31Å; S214-K218 PolarHBondContact O-N 3.27Å
215E94.3Very high87.2Confident123 Ų123104.6 Ų104.658%0.57549%0.491SS*.Hα-helixtrans-55.5-36.7177-66.7-177.2-160.800113.9R217 K218 R219E215-R217 PolarHBondContact O-N 3.28Å; E215-K218 WeakPolarHBondContact O-CB 3.41Å; E215-K218 PolarHBondContact O-N 2.84Å; E215-R219 WeakPolarHBondContact O-CG 3.26Å; E215-R219 PolarHBondContact O-N 3.1Å; E215-R219 IonicContact OE2-CZ 2.67Å; E215-R219 IonicContact OE2-NH2 2.62Å; E215-R219 PolarHBondContact OE2-NH2 2.89Å
216I93.5Very high88.5Confident96 Ų96109.4 Ų109.449%0.49250%0.5SS..Hα-helixtrans-55.5-41.5177.6-60.1172.1000110.5Y187 S214 R219 D220Y187-I216 HydrophobicContact CE2-CG2 4.28Å; S214-I216 PolarHBondContact O-N 2.9Å; I216-R219 PolarHBondContact O-N 2.77Å; I216-D220 WeakPolarHBondContact O-CB 3.39Å; I216-D220 PolarHBondContact O-N 2.86Å
217R93.3Very high89.7Confident67 Ų67107.1 Ų107.125%0.25349%0.488SS..Hα-helixtrans-66.6-39.6176.9-73.7-166.7176.6-178.8-3.3112.5Y187 Y211 V213 S214 E215 D220 Q221Y187-R217 HydrophobicContact CE1-CG 4.13Å; Y187-R217 PolarHBondContact O-NH2 3.01Å; Y187-R217 WeakPolarHBondContact OH-CA 3.33Å; Y187-R217 WeakPolarHBondContact OH-CG 3.45Å; Y211-R217 VanDerWaalsContact CZ-NH1 3.33Å; Y211-R217 VanDerWaalsContact OH-CD 3.26Å; Y211-R217 WeakPolarHBondContact OH-CD 3.5Å; Y211-R217 PolarHBondContact OH-NH1 2.84Å; V213-R217 HydrophobicContact CG1-CB 3.93Å; S214-R217 WeakPolarHBondContact O-CB 3.24Å; S214-R217 PolarHBondContact O-N 3.49Å; S214-R217 WeakPolarHBondContact OG-CG 3.31Å; E215-R217 PolarHBondContact O-N 3.28Å; R217-D220 PolarHBondContact O-N 3.15Å; R217-Q221 WeakPolarHBondContact O-CB 3.29Å; R217-Q221 PolarHBondContact O-N 3.2Å
218K94.4Very high90.8Very high134 Ų13498 Ų9858%0.58345%0.449SS*.Hα-helixtrans-62-46.2176.1-61.2-176.1-179.91800110.9V213 S214 E215 Q221 A222V213-K218 HydrophobicContact CG1-CG 3.95Å; S214-K218 PolarHBondContact O-N 3.27Å; E215-K218 WeakPolarHBondContact O-CB 3.41Å; E215-K218 PolarHBondContact O-N 2.84Å; K218-Q221 PolarHBondContact O-N 3.46Å; K218-A222 PolarHBondContact O-N 3.22Å
219R94.7Very high91.8Very high163 Ų16391 Ų9162%0.61542%0.418SS*.Hα-helixtrans-64-42.3178-62.7179.9-161.6-178.57.5112E215 I216 K223E215-R219 WeakPolarHBondContact O-CG 3.26Å; E215-R219 PolarHBondContact O-N 3.1Å; E215-R219 IonicContact OE2-CZ 2.67Å; E215-R219 IonicContact OE2-NH2 2.62Å; E215-R219 PolarHBondContact OE2-NH2 2.89Å; I216-R219 PolarHBondContact O-N 2.77Å; R219-K223 PolarHBondContact O-N 3.13Å; R219-K223 VanDerWaalsContact O-N 3.12Å
220D94.2Very high92.7Very high0 Ų084.4 Ų84.40%040%0.396CS..Hα-helixtrans-61.3-46.9175.6-94-46.5000112.7L157 R182 L183 Y187 I216 R217 K223 V224L157-D220 HydrophobicContact CD1-CB 4.49Å; R182-D220 VanDerWaalsContact CZ-CG 3.43Å; R182-D220 IonicContact CZ-OD1 3.5Å; R182-D220 IonicContact CZ-OD2 3.36Å; R182-D220 IonicContact NE-OD1 2.99Å; R182-D220 PolarHBondContact NE-OD1 3.01Å; R182-D220 IonicContact NE-OD2 3.34Å; R182-D220 PolarHBondContact NE-OD2 3.1Å; R182-D220 IonicContact NH2-OD1 3.84Å; R182-D220 PolarHBondContact NH2-OD1 2.69Å; R182-D220 IonicContact NH2-OD2 3.06Å; R182-D220 PolarHBondContact NH2-OD2 2.98Å; L183-D220 HydrophobicContact CD2-CB 4.36Å; Y187-D220 WeakPolarHBondContact CE2-OD2 3.38Å; Y187-D220 WeakPolarHBondContact OH-CB 3.46Å; Y187-D220 PolarHBondContact OH-OD2 3.1Å; I216-D220 WeakPolarHBondContact O-CB 3.39Å; I216-D220 PolarHBondContact O-N 2.86Å; R217-D220 PolarHBondContact O-N 3.15Å; D220-K223 PolarHBondContact O-N 3.44Å; D220-V224 WeakPolarHBondContact O-CG2 3.47Å; D220-V224 PolarHBondContact O-N 3.49Å; D220-V224 VanDerWaalsContact O-N 3.11Å
221Q95.1Very high93.2Very high14 Ų1473.8 Ų73.87%0.06536%0.357CS..Hα-helixtrans-58.8-51.2178-173.266.840.700110.8T147 L150 L157 R217 K218 K223 V224 D225T147-Q221 PolarHBondContact OG1-NE2 2.76Å; L150-Q221 HydrophobicContact CB-CG 4.11Å; L150-Q221 HydrophobicContact CD2-CG 4.08Å; L157-Q221 VanDerWaalsContact CB-OE1 3.3Å; R217-Q221 WeakPolarHBondContact O-CB 3.29Å; R217-Q221 PolarHBondContact O-N 3.2Å; K218-Q221 PolarHBondContact O-N 3.46Å; Q221-K223 VanDerWaalsContact C-N 3.27Å; Q221-K223 PolarHBondContact O-N 2.83Å; Q221-V224 PolarHBondContact O-N 3.31Å; Q221-V224 VanDerWaalsContact O-N 3.16Å; Q221-D225 WeakPolarHBondContact CG-OD2 3.32Å; Q221-D225 PolarHBondContact NE2-OD1 3.19Å; Q221-D225 PolarHBondContact NE2-OD2 3.17Å; Q221-D225 WeakPolarHBondContact O-CB 3.32Å; Q221-D225 PolarHBondContact O-N 2.78Å
222A94.4Very high93.5Very high62 Ų6267.2 Ų67.251%0.51233%0.332SS..Hα-helixtrans-58.2-39.6-179.800000112.4K218 K226K218-A222 PolarHBondContact O-N 3.22Å; A222-K226 VanDerWaalsContact O-CB 3.32Å; A222-K226 WeakPolarHBondContact O-CB 3.33Å; A222-K226 PolarHBondContact O-N 3.01Å
223K93.5Very high93.7Very high126 Ų12666 Ų6655%0.54833%0.327SS..Hα-helixtrans-64.9-43177.7-176.1170.9-177.2166.40112.4P180 R219 D220 Q221P180-K223 HydrophobicContact CG-CD 4.49Å; R219-K223 PolarHBondContact O-N 3.13Å; R219-K223 VanDerWaalsContact O-N 3.12Å; D220-K223 PolarHBondContact O-N 3.44Å; Q221-K223 VanDerWaalsContact C-N 3.27Å; Q221-K223 PolarHBondContact O-N 2.83Å
224V94.5Very high93.7Very high0 Ų069.9 Ų69.90%034%0.337CS..Hα-helixtrans-71.1-44.6178.71760000110.8L136 T147 L157 F177 L183 D220 Q221 K226 A227 I228L136-V224 HydrophobicContact CD1-CG1 3.74Å; T147-V224 HydrophobicContact CG2-CG1 4.01Å; L157-V224 HydrophobicContact CD1-CB 4.26Å; L157-V224 HydrophobicContact CD1-CG2 3.94Å; L157-V224 HydrophobicContact CD2-CG1 4.22Å; L157-V224 HydrophobicContact CD2-CG2 4.37Å; F177-V224 HydrophobicContact CE1-CG1 4.4Å; F177-V224 HydrophobicContact CE1-CG2 4.47Å; F177-V224 HydrophobicContact CZ-CB 4.45Å; F177-V224 HydrophobicContact CZ-CG2 4.08Å; L183-V224 HydrophobicContact CD1-CG2 4.2Å; D220-V224 WeakPolarHBondContact O-CG2 3.47Å; D220-V224 PolarHBondContact O-N 3.49Å; D220-V224 VanDerWaalsContact O-N 3.11Å; Q221-V224 PolarHBondContact O-N 3.31Å; Q221-V224 VanDerWaalsContact O-N 3.16Å; V224-K226 VanDerWaalsContact C-N 3.32Å; V224-K226 PolarHBondContact O-N 2.9Å; V224-A227 WeakPolarHBondContact O-CB 3.36Å; V224-A227 PolarHBondContact O-N 3.46Å; V224-A227 VanDerWaalsContact O-N 3.11Å; V224-I228 HydrophobicContact CG1-CD1 3.91Å; V224-I228 PolarHBondContact O-N 2.99Å; V224-I228 VanDerWaalsContact O-N 3.09Å
225D94.5Very high93.6Very high11 Ų1171 Ų716%0.05933%0.333CS..Hα-helixtrans-63.7-38.1-179.7-73-10.7000111.5T147 L150 Q221 A227 I228 F229T147-D225 PolarHBondContact OG1-OD1 3.49Å; L150-D225 WeakPolarHBondContact CB-OD2 3.36Å; L150-D225 PolarHBondContact N-OD2 3.27Å; Q221-D225 WeakPolarHBondContact CG-OD2 3.32Å; Q221-D225 PolarHBondContact NE2-OD1 3.19Å; Q221-D225 PolarHBondContact NE2-OD2 3.17Å; Q221-D225 WeakPolarHBondContact O-CB 3.32Å; Q221-D225 PolarHBondContact O-N 2.78Å; D225-A227 VanDerWaalsContact C-N 3.26Å; D225-A227 PolarHBondContact O-N 3.16Å; D225-I228 PolarHBondContact O-N 3.17Å; D225-I228 VanDerWaalsContact O-N 3.13Å; D225-F229 HydrophobicContact CB-CD2 4.33Å; D225-F229 HydrophobicContact CB-CE2 4.32Å; D225-F229 WeakPolarHBondContact O-CD2 3.34Å; D225-F229 PolarHBondContact O-N 3.11Å
226K93.6Very high93.5Very high167 Ų16773 Ų7373%0.72635%0.348SS*.Hα-helixtrans-56.4-40.8173.8-174.7174.3-178.8175.50112A222 V224 A230A222-K226 VanDerWaalsContact O-CB 3.32Å; A222-K226 WeakPolarHBondContact O-CB 3.33Å; A222-K226 PolarHBondContact O-N 3.01Å; V224-K226 VanDerWaalsContact C-N 3.32Å; V224-K226 PolarHBondContact O-N 2.9Å; K226-A230 WeakPolarHBondContact O-CB 3.29Å; K226-A230 PolarHBondContact O-N 2.99Å
227A93.1Very high93.5Very high22 Ų2270.6 Ų70.618%0.18234%0.336CS..Hα-helixtrans-69.4-38.3177.600000112.3F177 V224 D225 A230 A231F177-A227 HydrophobicContact CB-CB 4.31Å; F177-A227 HydrophobicContact CD1-CB 4.08Å; F177-A227 HydrophobicContact CD2-CB 3.32Å; F177-A227 HydrophobicContact CE1-CB 4.23Å; F177-A227 HydrophobicContact CE2-CB 3.5Å; F177-A227 VanDerWaalsContact CE2-CB 3.5Å; F177-A227 HydrophobicContact CG-CB 3.63Å; F177-A227 HydrophobicContact CZ-CB 3.96Å; V224-A227 WeakPolarHBondContact O-CB 3.36Å; V224-A227 PolarHBondContact O-N 3.46Å; V224-A227 VanDerWaalsContact O-N 3.11Å; D225-A227 VanDerWaalsContact C-N 3.26Å; D225-A227 PolarHBondContact O-N 3.16Å; A227-A230 WeakPolarHBondContact O-CB 3.46Å; A227-A230 PolarHBondContact O-N 2.99Å; A227-A231 PolarHBondContact O-N 3.19Å
228I93.9Very high93.4Very high0 Ų072.5 Ų72.50%035%0.346CS..Hα-helixtrans-69.9-42.8178.2-64.1169.3000111V134 L136 T147 P149 L172 L174 V224 D225 A230 A231 I232V134-I228 HydrophobicContact CB-CD1 4.49Å; V134-I228 HydrophobicContact CG2-CG2 4.29Å; L136-I228 HydrophobicContact CD2-CD1 4.26Å; T147-I228 HydrophobicContact CG2-CD1 3.1Å; P149-I228 HydrophobicContact CG-CG2 3.71Å; L172-I228 HydrophobicContact CD1-CG2 4.29Å; L174-I228 HydrophobicContact CD2-CG1 4.21Å; V224-I228 HydrophobicContact CG1-CD1 3.91Å; V224-I228 PolarHBondContact O-N 2.99Å; V224-I228 VanDerWaalsContact O-N 3.09Å; D225-I228 PolarHBondContact O-N 3.17Å; D225-I228 VanDerWaalsContact O-N 3.13Å; I228-A230 VanDerWaalsContact C-N 3.27Å; I228-A230 PolarHBondContact O-N 3.08Å; I228-A231 WeakPolarHBondContact O-CB 3.47Å; I228-A231 PolarHBondContact O-N 3.02Å; I228-A231 VanDerWaalsContact O-N 3.1Å; I228-I232 HydrophobicContact CG2-CD1 3.82Å; I228-I232 HydrophobicContact CG2-CG1 4.3Å; I228-I232 WeakPolarHBondContact O-CG1 3.4Å; I228-I232 PolarHBondContact O-N 3.36Å
229F93.8Very high93.4Very high50 Ų5076.5 Ų76.522%0.21936%0.357CS..Hα-helixtrans-62.3-36.3173.6-79.4-64.9000111.9P149 K151 L152 D225 A231 I232 K233P149-F229 HydrophobicContact CB-CE1 4.45Å; P149-F229 HydrophobicContact CB-CE2 3.96Å; P149-F229 HydrophobicContact CB-CZ 3.79Å; K151-F229 HydrophobicContact CB-CE2 4.48Å; K151-F229 HydrophobicContact CB-CZ 4.16Å; K151-F229 HydrophobicContact CD-CE2 4.49Å; L152-F229 HydrophobicContact CD1-CE1 4.02Å; L152-F229 HydrophobicContact CD1-CZ 4.33Å; L152-F229 HydrophobicContact CD2-CE1 4.32Å; L152-F229 HydrophobicContact CG-CE1 4.02Å; L152-F229 HydrophobicContact CG-CZ 3.99Å; D225-F229 HydrophobicContact CB-CD2 4.33Å; D225-F229 HydrophobicContact CB-CE2 4.32Å; D225-F229 WeakPolarHBondContact O-CD2 3.34Å; D225-F229 PolarHBondContact O-N 3.11Å; F229-A231 VanDerWaalsContact C-N 3.33Å; F229-I232 PolarHBondContact O-N 2.9Å; F229-K233 WeakPolarHBondContact O-CB 3.37Å; F229-K233 WeakPolarHBondContact O-CG 3.42Å; F229-K233 PolarHBondContact O-N 3.24Å
230A93.4Very high93.4Very high49 Ų4975.7 Ų75.741%0.40536%0.361SS..Hα-helixtrans-63-40.2172.300000111.9K226 A227 I228 K234K226-A230 WeakPolarHBondContact O-CB 3.29Å; K226-A230 PolarHBondContact O-N 2.99Å; A227-A230 WeakPolarHBondContact O-CB 3.46Å; A227-A230 PolarHBondContact O-N 2.99Å; I228-A230 VanDerWaalsContact C-N 3.27Å; I228-A230 PolarHBondContact O-N 3.08Å; A230-K234 WeakPolarHBondContact O-CG 3.43Å; A230-K234 PolarHBondContact O-N 3.48Å
231A93.4Very high93.4Very high7 Ų776 Ų766%0.05836%0.362CS..Hα-helixtrans-65.9-42.1174.700000112.7D173 L174 A227 I228 F229 K234D173-A231 VanDerWaalsContact O-CB 3.23Å; D173-A231 WeakPolarHBondContact O-CB 3.19Å; L174-A231 HydrophobicContact CD2-CB 4.19Å; A227-A231 PolarHBondContact O-N 3.19Å; I228-A231 WeakPolarHBondContact O-CB 3.47Å; I228-A231 PolarHBondContact O-N 3.02Å; I228-A231 VanDerWaalsContact O-N 3.1Å; F229-A231 VanDerWaalsContact C-N 3.33Å; A231-K234 PolarHBondContact O-N 3.04Å
232I93.5Very high93.4Very high3 Ų377.1 Ų77.12%0.01537%0.371CS..Hα-helixtrans-65-41.9177.4-65.9166.9000110.7P149 L172 I228 F229 K234 R235 K238 I241 L245P149-I232 HydrophobicContact CG-CD1 4.47Å; L172-I232 HydrophobicContact CD1-CD1 4.45Å; L172-I232 HydrophobicContact CD1-CG1 3.99Å; L172-I232 HydrophobicContact CD2-CG1 4.3Å; I228-I232 HydrophobicContact CG2-CD1 3.82Å; I228-I232 HydrophobicContact CG2-CG1 4.3Å; I228-I232 WeakPolarHBondContact O-CG1 3.4Å; I228-I232 PolarHBondContact O-N 3.36Å; F229-I232 PolarHBondContact O-N 2.9Å; I232-K234 PolarHBondContact O-N 2.91Å; I232-R235 PolarHBondContact O-N 2.78Å; I232-K238 HydrophobicContact CG2-CB 4.33Å; I232-K238 WeakPolarHBondContact O-CB 3.26Å; I232-I241 HydrophobicContact CG1-CG2 4.18Å; I232-I241 HydrophobicContact CG2-CG2 4.15Å; I232-L245 HydrophobicContact CD1-CD1 3.77Å
233K92.1Very high93.4Very high161 Ų16175.9 Ų75.970%0.736%0.364SS*.Hα-helixtrans-63.7-24.7-179.9-78.6179.4178.4-166.10114.1F229 R235F229-K233 WeakPolarHBondContact O-CB 3.37Å; F229-K233 WeakPolarHBondContact O-CG 3.42Å; F229-K233 PolarHBondContact O-N 3.24Å; K233-R235 VanDerWaalsContact C-N 3.3Å
234K91.5Very high93.5Very high160 Ų16073.1 Ų73.170%0.69635%0.35SS*.THydrogen-bonded Turntrans-75.8-17178.4-75.5177.6177.5-166.60113.7A230 A231 I232A230-K234 WeakPolarHBondContact O-CG 3.43Å; A230-K234 PolarHBondContact O-N 3.48Å; A231-K234 PolarHBondContact O-N 3.04Å; I232-K234 PolarHBondContact O-N 2.91Å
235R91.1Very high93.6Very high75 Ų7573.1 Ų73.128%0.28335%0.35SS..SBendtrans-88.4148.8-179.4-57.8173.458.696.4-0.1110.3K171 I232 K233 D237 K238K171-R235 PolarHBondContact O-NH1 3.48Å; I232-R235 PolarHBondContact O-N 2.78Å; K233-R235 VanDerWaalsContact C-N 3.3Å; R235-D237 WeakPolarHBondContact CB-OD1 3.4Å; R235-D237 IonicContact CZ-OD1 3.45Å; R235-D237 IonicContact CZ-OD2 3.55Å; R235-D237 IonicContact NE-OD1 2.75Å; R235-D237 PolarHBondContact NE-OD1 3.48Å; R235-D237 IonicContact NE-OD2 3.54Å; R235-D237 IonicContact NH2-OD1 2.95Å; R235-D237 PolarHBondContact NH2-OD1 3.02Å; R235-D237 IonicContact NH2-OD2 3.42Å; R235-D237 PolarHBondContact NH2-OD2 2.92Å; R235-K238 WeakPolarHBondContact O-CB 3.45Å; R235-K238 PolarHBondContact O-N 2.84Å
236D92.1Very high93.6Very high167 Ų16774.9 Ų74.989%0.89337%0.367SS*.THydrogen-bonded Turntrans-69-38.8177-54.2-42.1000110.8K238D236-K238 PolarHBondContact O-N 3.12Å
237D93Very high93.7Very high44 Ų4470.5 Ų70.524%0.23535%0.354CS..THydrogen-bonded Turntrans-78.525.4177.668.9-13.7000114.1R235 R239 E240 I241R235-D237 WeakPolarHBondContact CB-OD1 3.4Å; R235-D237 IonicContact CZ-OD1 3.45Å; R235-D237 IonicContact CZ-OD2 3.55Å; R235-D237 IonicContact NE-OD1 2.75Å; R235-D237 PolarHBondContact NE-OD1 3.48Å; R235-D237 IonicContact NE-OD2 3.54Å; R235-D237 IonicContact NH2-OD1 2.95Å; R235-D237 PolarHBondContact NH2-OD1 3.02Å; R235-D237 IonicContact NH2-OD2 3.42Å; R235-D237 PolarHBondContact NH2-OD2 2.92Å; D237-R239 PolarHBondContact O-N 2.89Å; D237-R239 VanDerWaalsContact O-N 3.07Å; D237-E240 HydrophobicContact CB-CB 4.44Å; D237-E240 PolarHBondContact O-N 2.85Å; D237-E240 VanDerWaalsContact O-N 3.1Å; D237-I241 PolarHBondContact O-N 3.04Å; D237-I241 WeakPolarHBondContact OD2-CG1 3.43Å
238K92.3Very high93.8Very high108 Ų10873.6 Ų73.647%0.4737%0.372SS..Hα-helixtrans-53.2-36-174.566.9-168.6175.5-1630114I232 R235 D236 C242I232-K238 HydrophobicContact CG2-CB 4.33Å; I232-K238 WeakPolarHBondContact O-CB 3.26Å; R235-K238 WeakPolarHBondContact O-CB 3.45Å; R235-K238 PolarHBondContact O-N 2.84Å; D236-K238 PolarHBondContact O-N 3.12Å; K238-C242 WeakPolarHBondContact O-CB 3.42Å; K238-C242 PolarHBondContact O-N 3.05Å; K238-C242 VanDerWaalsContact O-N 3.09Å; K238-C242 PolarHBondContact O-SG 3.37Å
239R93.2Very high93.9Very high218 Ų21876.2 Ų76.282%0.82338%0.382SS*.Hα-helixtrans-70.2-46.1-179.6-72-175.7175.7178.20.3110.9D237 C242 G243D237-R239 PolarHBondContact O-N 2.89Å; D237-R239 VanDerWaalsContact O-N 3.07Å; R239-C242 PolarHBondContact O-N 3.36Å; R239-G243 PolarHBondContact O-N 2.7Å
240E94.4Very high93.9Very high146 Ų14675.9 Ų75.968%0.68239%0.393SS*.Hα-helixtrans-64-43.2178.5-61.3177.6-179.100111.2D237 C242 G243 Y244D237-E240 HydrophobicContact CB-CB 4.44Å; D237-E240 PolarHBondContact O-N 2.85Å; D237-E240 VanDerWaalsContact O-N 3.1Å; E240-C242 PolarHBondContact O-N 2.99Å; E240-G243 PolarHBondContact O-N 3.07Å; E240-Y244 VanDerWaalsContact O-CB 3.26Å; E240-Y244 WeakPolarHBondContact O-CB 3.24Å; E240-Y244 PolarHBondContact O-N 2.94Å
241I94.9Very high94Very high7 Ų777.7 Ų77.74%0.03640%0.395CS..Hα-helixtrans-65.6-38.4177.6-67.9-72000111.6I120 T170 L172 I232 D237 Y244 L245I120-I241 HydrophobicContact CD1-CD1 4.49Å; T170-I241 HydrophobicContact CG2-CD1 3.8Å; L172-I241 HydrophobicContact CD2-CG2 3.96Å; I232-I241 HydrophobicContact CG1-CG2 4.18Å; I232-I241 HydrophobicContact CG2-CG2 4.15Å; D237-I241 PolarHBondContact O-N 3.04Å; D237-I241 WeakPolarHBondContact OD2-CG1 3.43Å; I241-Y244 PolarHBondContact O-N 3.48Å; I241-L245 HydrophobicContact CG2-CD1 4.13Å; I241-L245 WeakPolarHBondContact O-CB 3.43Å; I241-L245 WeakPolarHBondContact O-CG 3.32Å; I241-L245 PolarHBondContact O-N 3.1Å
242C94.6Very high94Very high37 Ų3784.2 Ų84.225%0.2543%0.425CS..Hα-helixtrans-62.5-46.3173.4-72.20000111.4K238 R239 E240 L245 A246K238-C242 WeakPolarHBondContact O-CB 3.42Å; K238-C242 PolarHBondContact O-N 3.05Å; K238-C242 VanDerWaalsContact O-N 3.09Å; K238-C242 PolarHBondContact O-SG 3.37Å; R239-C242 PolarHBondContact O-N 3.36Å; E240-C242 PolarHBondContact O-N 2.99Å; C242-L245 PolarHBondContact O-N 3Å; C242-A246 WeakPolarHBondContact O-CB 3.33Å; C242-A246 PolarHBondContact O-N 2.92Å
243G95.6Very high94.1Very high35 Ų3594.6 Ų94.636%0.36147%0.47SS..Hα-helixtrans-61.4-45.3175.700000112.1R239 E240 L245 A246 T247R239-G243 PolarHBondContact O-N 2.7Å; E240-G243 PolarHBondContact O-N 3.07Å; G243-L245 PolarHBondContact O-N 3.07Å; G243-A246 PolarHBondContact O-N 3.42Å; G243-T247 WeakPolarHBondContact O-CB 3.37Å; G243-T247 PolarHBondContact O-N 2.96Å; G243-T247 PolarHBondContact O-OG1 3Å; G243-T247 VanDerWaalsContact O-OG1 3.04Å
244Y95.7Very high94.3Very high68 Ų6889.6 Ų89.627%0.26746%0.464SS..Hα-helixtrans-59-44.9177.4-175.2-112.1000112I120 R132 E240 I241I120-Y244 HydrophobicContact CB-CE1 4.5Å; I120-Y244 HydrophobicContact CD1-CD1 4Å; I120-Y244 HydrophobicContact CD1-CE1 4.06Å; I120-Y244 HydrophobicContact CG2-CD1 4.46Å; I120-Y244 HydrophobicContact CG2-CE1 3.87Å; R132-Y244 VanDerWaalsContact CD-CE1 3.4Å; R132-Y244 VanDerWaalsContact CD-O 3.28Å; R132-Y244 WeakPolarHBondContact CD-O 3.47Å; R132-Y244 PolarHBondContact NH1-O 3.4Å; E240-Y244 VanDerWaalsContact O-CB 3.26Å; E240-Y244 WeakPolarHBondContact O-CB 3.24Å; E240-Y244 PolarHBondContact O-N 2.94Å; I241-Y244 PolarHBondContact O-N 3.48Å
245L95.6Very high94.5Very high0 Ų085.1 Ų85.10%045%0.446CS..Hα-helixtrans-70.2-30.3178.2-74.1174.3000113.7I120 R132 V134 P149 L152 N153 I232 I241 C242 G243I120-L245 HydrophobicContact CD1-CD2 4.11Å; I120-L245 HydrophobicContact CG1-CD2 4.38Å; I120-L245 HydrophobicContact CG2-CD2 3.98Å; R132-L245 HydrophobicContact CB-CD2 4.23Å; V134-L245 HydrophobicContact CG2-CD2 4.39Å; P149-L245 HydrophobicContact CG-CD1 4.37Å; L152-L245 HydrophobicContact CD1-CB 4.12Å; L152-L245 HydrophobicContact CD1-CD1 4.18Å; N153-L245 WeakPolarHBondContact CB-O 3.32Å; N153-L245 PolarHBondContact ND2-O 2.88Å; I232-L245 HydrophobicContact CD1-CD1 3.77Å; I241-L245 HydrophobicContact CG2-CD1 4.13Å; I241-L245 WeakPolarHBondContact O-CB 3.43Å; I241-L245 WeakPolarHBondContact O-CG 3.32Å; I241-L245 PolarHBondContact O-N 3.1Å; C242-L245 PolarHBondContact O-N 3Å; G243-L245 PolarHBondContact O-N 3.07Å
246A95.8Very high94.7Very high48 Ų4886.4 Ų86.440%0.39745%0.454SS..Hα-helixtrans-75.2-40.317800000112.1C242 G243C242-A246 WeakPolarHBondContact O-CB 3.33Å; C242-A246 PolarHBondContact O-N 2.92Å; G243-A246 PolarHBondContact O-N 3.42Å
247T95.2Very high94.8Very high75 Ų7581.5 Ų81.546%0.4643%0.431SS..SBendtrans-72.5133.2-177.3-59.10000111.3R132 G243R132-T247 PolarHBondContact NH1-O 2.96Å; G243-T247 WeakPolarHBondContact O-CB 3.37Å; G243-T247 PolarHBondContact O-N 2.96Å; G243-T247 PolarHBondContact O-OG1 3Å; G243-T247 VanDerWaalsContact O-OG1 3.04Å
248P94.5Very high94.9Very high88 Ų8886.8 Ų86.857%0.57145%0.453SS*.PPolyproline II helixtrans-73.2147.617130.2-33.4000111
249W95.7Very high95.1Very high54 Ų5488 Ų8821%0.20546%0.461CS..PPolyproline II helixtrans-88.2136170.1-179.184.1000110.4I122 L124 G130 I166 L251 F262I122-W249 HydrophobicContact CD1-CB 4.32Å; I122-W249 HydrophobicContact CD1-CD2 4.14Å; I122-W249 HydrophobicContact CD1-CG 3.83Å; I122-W249 HydrophobicContact CG1-CB 4.44Å; I122-W249 HydrophobicContact CG1-CG 4.44Å; I122-W249 HydrophobicContact CG2-CB 3.83Å; I122-W249 HydrophobicContact CG2-CD2 3.92Å; I122-W249 HydrophobicContact CG2-CE3 3.75Å; I122-W249 HydrophobicContact CG2-CG 3.98Å; L124-W249 HydrophobicContact CD2-CE3 4.35Å; L124-W249 HydrophobicContact CD2-CZ3 3.85Å; G130-W249 VanDerWaalsContact CA-O 3.24Å; G130-W249 WeakPolarHBondContact CA-O 3.44Å; G130-W249 WeakPolarHBondContact O-CB 3.45Å; G130-W249 PolarHBondContact O-N 3.03Å; I166-W249 HydrophobicContact CD1-CH2 4.43Å; W249-L251 HydrophobicContact CH2-CD2 4.02Å; W249-L251 HydrophobicContact CH2-CG 4.03Å; W249-L251 HydrophobicContact CZ2-CD2 3.65Å; W249-L251 HydrophobicContact CZ2-CG 4.13Å; W249-F262 AromaticContact CE2-CE1 3.88Å; W249-F262 AromaticContact CZ2-CE1 3.71Å; W249-F262 HydrophobicContact CZ2-CE1 3.71Å; W249-F262 AromaticContact CZ2-CZ 3.86Å; W249-F262 HydrophobicContact CZ2-CZ 3.86Å; W249-F262 AromaticContact NE1-CE1 3.84Å
250G94.4Very high95.2Very high43 Ų4380.2 Ų80.244%0.44343%0.434SS..  trans-156.2165.117100000108.6
251L94.6Very high95.2Very high87 Ų8778.5 Ų78.546%0.45543%0.434SS..PPolyproline II helixtrans-90.6133.2175.2-62.9171.1000109.2W249 Q255 P257 M260W249-L251 HydrophobicContact CH2-CD2 4.02Å; W249-L251 HydrophobicContact CH2-CG 4.03Å; W249-L251 HydrophobicContact CZ2-CD2 3.65Å; W249-L251 HydrophobicContact CZ2-CG 4.13Å; L251-Q255 HydrophobicContact CD2-CB 4.38Å; L251-P257 HydrophobicContact CD1-CG 3.55Å; L251-P257 HydrophobicContact CD2-CG 3.91Å; L251-P257 HydrophobicContact CG-CG 4.39Å; L251-M260 HydrophobicContact CD2-CE 4.25Å; L251-M260 HydrophobicContact CD2-SD 3.88Å
252Q94.6Very high95.1Very high145 Ų14581.2 Ų81.268%0.67845%0.445SS*.PPolyproline II helixtrans-100.1172171.5-64.7-179.3-47.400110.8G254 Q255Q252-G254 PolarHBondContact O-N 2.87Å; Q252-Q255 HydrophobicContact CB-CG 4.43Å; Q252-Q255 WeakPolarHBondContact O-CB 3.38Å; Q252-Q255 PolarHBondContact O-N 3.4Å; Q252-Q255 VanDerWaalsContact O-N 3.14Å
253K96.3Very high95.1Very high220 Ų22083.4 Ų83.496%0.95746%0.455SS*.THydrogen-bonded Turntrans-58.4131.7174.7-171.4178.4179.3-1770109.5Q255K253-Q255 VanDerWaalsContact C-N 3.34Å
254G95.3Very high95.1Very high57 Ų5785.9 Ų85.959%0.58846%0.46SS*.THydrogen-bonded Turntrans82.90.8-178.300000115.4Q252Q252-G254 PolarHBondContact O-N 2.87Å
255Q94.7Very high95Very high65 Ų6586.9 Ų86.930%0.30447%0.471SS..  trans-97113.2176.8-76.6-179.6-4.400111.5L251 Q252 K253 M260L251-Q255 HydrophobicContact CD2-CB 4.38Å; Q252-Q255 HydrophobicContact CB-CG 4.43Å; Q252-Q255 WeakPolarHBondContact O-CB 3.38Å; Q252-Q255 PolarHBondContact O-N 3.4Å; Q252-Q255 VanDerWaalsContact O-N 3.14Å; K253-Q255 VanDerWaalsContact C-N 3.34Å; Q255-M260 HydrophobicContact CB-CE 3.44Å; Q255-M260 VanDerWaalsContact CB-CE 3.44Å; Q255-M260 HydrophobicContact CG-CE 3.52Å
256F95.8Very high95Very high103 Ų10392.1 Ų92.145%0.45250%0.499SS..  trans-106.6120.7-179.4-58.9-70.3000112.2H258 E259 M260F256-H258 VanDerWaalsContact CB-CE1 3.47Å; F256-H258 WeakPolarHBondContact CB-CE1 3.15Å; F256-H258 AromaticContact CG-CE1 3.98Å; F256-H258 PolarHBondContact O-N 3.26Å; F256-H258 VanDerWaalsContact O-N 3.08Å; F256-E259 HydrophobicContact CB-CG 4.17Å; F256-E259 PolarHBondContact O-N 3.02Å; F256-M260 WeakPolarHBondContact O-CG 3.28Å; F256-M260 PolarHBondContact O-N 2.99Å; F256-M260 VanDerWaalsContact O-N 3.15Å
257P94.1Very high95Very high63 Ų6394.8 Ų94.841%0.40951%0.505SS..THydrogen-bonded Turntrans-59.4-23.5-176.6-27.734.6000116.2L251L251-P257 HydrophobicContact CD1-CG 3.55Å; L251-P257 HydrophobicContact CD2-CG 3.91Å; L251-P257 HydrophobicContact CG-CG 4.39Å
258H95.8Very high94.9Very high155 Ų15596.1 Ų96.172%0.71851%0.508SS*.THydrogen-bonded Turntrans-78.4-23.7179.161.5-92.8000112.5F256F256-H258 VanDerWaalsContact CB-CE1 3.47Å; F256-H258 WeakPolarHBondContact CB-CE1 3.15Å; F256-H258 AromaticContact CG-CE1 3.98Å; F256-H258 PolarHBondContact O-N 3.26Å; F256-H258 VanDerWaalsContact O-N 3.08Å
259E95.9Very high95Very high135 Ų13596.7 Ų96.763%0.63150%0.503SS*.THydrogen-bonded Turntrans-88.6-23.7173.1-57.6-180161.600111.6F256F256-E259 HydrophobicContact CB-CG 4.17Å; F256-E259 PolarHBondContact O-N 3.02Å
260M94.9Very high94.9Very high53 Ų53100 Ų10026%0.26153%0.526SS..  trans-69.5133.6-179.4-75.1-175.8159.200113.1L251 Q255 F256 F262L251-M260 HydrophobicContact CD2-CE 4.25Å; L251-M260 HydrophobicContact CD2-SD 3.88Å; Q255-M260 HydrophobicContact CB-CE 3.44Å; Q255-M260 VanDerWaalsContact CB-CE 3.44Å; Q255-M260 HydrophobicContact CG-CE 3.52Å; F256-M260 WeakPolarHBondContact O-CG 3.28Å; F256-M260 PolarHBondContact O-N 2.99Å; F256-M260 VanDerWaalsContact O-N 3.15Å; M260-F262 HydrophobicContact CB-CE2 3.9Å; M260-F262 HydrophobicContact CB-CZ 3.96Å; M260-F262 HydrophobicContact SD-CZ 4.16Å
261V94.4Very high95Very high110 Ų110104.8 Ų104.867%0.66753%0.533SS*.  trans-97.5115.4168.6-179.80000108.9K169K169-V261 HydrophobicContact CD-CG1 3.92Å
262F93.1Very high95Very high64 Ų64106.4 Ų106.428%0.28154%0.54SS..  trans-88.90175.6-62.6-81.5000111.6I122 I166 T168 K169 W249 M260I122-F262 HydrophobicContact CD1-CD1 3.9Å; I122-F262 HydrophobicContact CD1-CE1 4.15Å; I166-F262 HydrophobicContact CD1-CE1 4.14Å; I166-F262 HydrophobicContact CD1-CZ 4.2Å; I166-F262 HydrophobicContact CG2-CB 3.68Å; I166-F262 HydrophobicContact CG2-CD1 3.74Å; I166-F262 HydrophobicContact CG2-CD2 4.03Å; I166-F262 HydrophobicContact CG2-CE1 4.38Å; I166-F262 HydrophobicContact CG2-CG 3.53Å; T168-F262 WeakPolarHBondContact CA-OXT 3.39Å; T168-F262 WeakPolarHBondContact CB-OXT 3.19Å; K169-F262 VanDerWaalsContact CG-O 3.32Å; K169-F262 WeakPolarHBondContact CG-O 3.27Å; K169-F262 PolarHBondContact N-O 3.36Å; K169-F262 PolarHBondContact N-OXT 3.29Å; W249-F262 AromaticContact CE2-CE1 3.88Å; W249-F262 AromaticContact CZ2-CE1 3.71Å; W249-F262 HydrophobicContact CZ2-CE1 3.71Å; W249-F262 AromaticContact CZ2-CZ 3.86Å; W249-F262 HydrophobicContact CZ2-CZ 3.86Å; W249-F262 AromaticContact NE1-CE1 3.84Å; M260-F262 HydrophobicContact CB-CE2 3.9Å; M260-F262 HydrophobicContact CB-CZ 3.96Å; M260-F262 HydrophobicContact SD-CZ 4.16Å

Retrieved 262 of 262 residues in 108.7 ms (Link to these results)