A0A087YKW4_POEFO Loading...

LIM domain binding 2a

AlphaFold DB (A0A3B5RDD9), UniProt , Accession A0A087YKW4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 388 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
1M38.4Very low43.5Very low250 Ų250153.4 Ų153.4100%1.23282%0.823SS**  0128.50-74.1174.9170.200107.4
2S36.9Very low43Very low118 Ų118147 Ų14783%0.82580%0.8SS**PPolyproline II helixtrans-63.3137.8-165.4420000115
3N36.4Very low43.2Very low158 Ų158143.9 Ų143.985%0.84579%0.792SS**PPolyproline II helixtrans-62.3135.4163.1-114.34.3000110.1
4P46.1Very low43.5Very low120 Ų120145.9 Ų145.978%0.77979%0.789SS**PPolyproline II helixtrans-82.6134.4166.431.5-26.1000110.1
5T46Very low43.1Very low140 Ų140138.1 Ų138.186%0.85976%0.756SS**PPolyproline II helixtrans-64.4132.5178.643.50000112.1D7T5-D7 PolarHBondContact O-N 3.42Å
6H46.5Very low43.1Very low178 Ų178137.7 Ų137.782%0.82476%0.762SS**PPolyproline II helixtrans-71.8116.8173.5-172.4-69.8000109.9
7D46.8Very low42.8Very low112 Ų112140.4 Ų140.460%0.59977%0.765SS**PPolyproline II helixtrans-78.8124.2177.4-155.9-19.6000109.9T5 F9T5-D7 PolarHBondContact O-N 3.42Å; D7-F9 PolarHBondContact O-N 3.21Å
8P52.1Low42.6Very low103 Ų103143.5 Ų143.567%0.66977%0.765SS**THydrogen-bonded Turntrans-71.9-6.6-174.7-15.930000115
9F44Very low42.7Very low185 Ų185147.8 Ų147.881%0.81177%0.77SS**THydrogen-bonded Turntrans-1062.8-168.1-72.7-80.1000115.5D7 S11D7-F9 PolarHBondContact O-N 3.21Å; F9-S11 PolarHBondContact O-N 3.48Å
10Y43.9Very low42.6Very low210 Ų210151.7 Ų151.782%0.82477%0.773SS**  trans-100.482.9178-150.1-94.9000111.9
11S42Very low42.3Very low113 Ų113153.1 Ų153.179%0.7978%0.777SS**  trans-82.5113166.8-65.90000109.9F9F9-S11 PolarHBondContact O-N 3.48Å
12S37.5Very low42.5Very low77 Ų77145 Ų14554%0.53874%0.744SS.*  trans-54.2137.3169.9173.70000111.2F14S12-F14 PolarHBondContact O-N 3.36Å
13P44.9Very low42.9Very low107 Ų107144 Ų14470%0.69574%0.736SS**THydrogen-bonded Turntrans-72.53.2-178.328.2-31.2000114
14F47.5Very low43.4Very low171 Ų171147.7 Ų147.775%0.7574%0.739SS**THydrogen-bonded Turntrans-126.144.2-177.1-64.1-74.2000113.2S12S12-F14 PolarHBondContact O-N 3.36Å
15G37.6Very low43.9Very low29 Ų29146.5 Ų146.530%0.29972%0.724SS.*SBendtrans-86.7163164.400000112.4F17G15-F17 PolarHBondContact O-N 2.96Å
16P43.5Very low44.9Very low132 Ų132142.7 Ų142.786%0.85770%0.701SS**SBendtrans-72.426.6-171.632.4-35.3000114.3Y18P16-Y18 PolarHBondContact O-N 3.44Å
17F37.2Very low46.7Very low183 Ų183139.9 Ų139.980%0.80369%0.688SS**  trans-86.930179.9-61.2-74.9000113.5G15 R19G15-F17 PolarHBondContact O-N 2.96Å; F17-R19 PolarHBondContact O-N 3.05Å
18Y40.3Very low48.5Very low197 Ų197134.7 Ų134.777%0.77366%0.66SS**  trans-72.960.1153.6-75-77.7000109.4P16 R20P16-Y18 PolarHBondContact O-N 3.44Å; Y18-R20 PolarHBondContact O-N 3.49Å
19R44.5Very low50.3Low226 Ų226133.5 Ų133.585%0.85365%0.646SS**  trans-63.989.3140.7-86.9-166.3-168.8-177.44.5104.2F17 H21F17-R19 PolarHBondContact O-N 3.05Å; R19-H21 PolarHBondContact O-N 3.48Å
20R40.1Very low52.6Low224 Ų224130 Ų13085%0.84563%0.628SS**  trans-41.3117.5155.4-83.5-174.8177.1-171.4-0.7105.2Y18 S22Y18-R20 PolarHBondContact O-N 3.49Å; R20-S22 VanDerWaalsContact C-N 3.29Å; R20-S22 PolarHBondContact O-N 3.48Å
21H36.5Very low54.9Low183 Ų183121.1 Ų121.185%0.84759%0.593SS**  trans-51.7108.9160.9-80.822.1000105R19R19-H21 PolarHBondContact O-N 3.48Å
22S42.4Very low57.5Low78 Ų78115.9 Ų115.955%0.54556%0.556SS.*  trans-57.5126.1172.1-159.80000105.2R20 Y24 M25R20-S22 VanDerWaalsContact C-N 3.29Å; R20-S22 PolarHBondContact O-N 3.48Å; S22-Y24 PolarHBondContact O-N 3.21Å; S22-Y24 VanDerWaalsContact O-N 3.08Å; S22-M25 WeakPolarHBondContact OG-CG 3.49Å
23P45.7Very low60.2Low99 Ų99118.6 Ų118.664%0.64356%0.556SS**  trans-56124.1177.825.6-31.2000106.1M25P23-M25 VanDerWaalsContact C-N 3.29Å; P23-M25 WeakPolarHBondContact O-CA 3.49Å; P23-M25 VanDerWaalsContact O-CG 3.27Å; P23-M25 WeakPolarHBondContact O-CG 3.35Å; P23-M25 PolarHBondContact O-N 2.7Å
24Y45.8Very low62.6Low235 Ų235116.2 Ų116.292%0.92254%0.535SS*.  trans-17.184.2-179.2-72.6-94.5000112.8S22 V26S22-Y24 PolarHBondContact O-N 3.21Å; S22-Y24 VanDerWaalsContact O-N 3.08Å; Y24-V26 PolarHBondContact O-N 3.47Å; Y24-V26 VanDerWaalsContact O-N 3.14Å
25M57.7Low64.9Low94 Ų94108.1 Ų108.146%0.46350%0.5SS..PPolyproline II helixtrans-73.7118-177.9-65.8-132.8126.400104.8S22 P23 Q27 F149S22-M25 WeakPolarHBondContact OG-CG 3.49Å; P23-M25 VanDerWaalsContact C-N 3.29Å; P23-M25 WeakPolarHBondContact O-CA 3.49Å; P23-M25 VanDerWaalsContact O-CG 3.27Å; P23-M25 WeakPolarHBondContact O-CG 3.35Å; P23-M25 PolarHBondContact O-N 2.7Å; M25-Q27 PolarHBondContact O-N 3.44Å; M25-Q27 VanDerWaalsContact O-N 3.08Å; M25-F149 HydrophobicContact CE-CE2 4.33Å; M25-F149 HydrophobicContact CE-CZ 4.1Å; M25-F149 HydrophobicContact SD-CE2 3.92Å; M25-F149 HydrophobicContact SD-CZ 4.08Å
26V67.1Low67.7Low61 Ų61107.6 Ų107.637%0.3749%0.49SS..PPolyproline II helixtrans-53120.7172176.80000106.4Y24 Y30 R31 M153Y24-V26 PolarHBondContact O-N 3.47Å; Y24-V26 VanDerWaalsContact O-N 3.14Å; V26-Y30 HydrophobicContact CG1-CD1 3.45Å; V26-Y30 VanDerWaalsContact CG1-CD1 3.45Å; V26-Y30 HydrophobicContact CG1-CE1 4.35Å; V26-Y30 HydrophobicContact CG1-CG 4.13Å; V26-R31 HydrophobicContact CG1-CG 3.9Å; V26-M153 HydrophobicContact CB-SD 4.07Å; V26-M153 WeakPolarHBondContact O-CE 3.47Å
27Q83.4Confident70.1Confident118 Ų118107 Ų10755%0.55147%0.474SS*.PPolyproline II helixtrans-63.8138.8177.6-78.6177.3-36.100108.6M25 E29 Y30 R31M25-Q27 PolarHBondContact O-N 3.44Å; M25-Q27 VanDerWaalsContact O-N 3.08Å; Q27-E29 PolarHBondContact O-N 2.99Å; Q27-E29 VanDerWaalsContact O-N 3.09Å; Q27-Y30 WeakPolarHBondContact O-CA 3.48Å; Q27-Y30 VanDerWaalsContact O-CB 3.29Å; Q27-Y30 WeakPolarHBondContact O-CB 3.2Å; Q27-Y30 PolarHBondContact O-N 3.4Å; Q27-R31 PolarHBondContact O-N 3.12Å
28P85.4Confident72.9Confident3 Ų3100.8 Ų100.82%0.01945%0.445CS..Hα-helixtrans-47.7-37.2173.4-28.932.7000113.5Y30 R31 I32 E109 I116 L118 F147 M153P28-Y30 VanDerWaalsContact C-N 3.33Å; P28-Y30 PolarHBondContact O-N 3.17Å; P28-R31 PolarHBondContact O-N 3.29Å; P28-I32 PolarHBondContact O-N 3.18Å; P28-E109 WeakPolarHBondContact CD-OE1 3.46Å; P28-E109 HydrophobicContact CG-CG 4.43Å; P28-I116 HydrophobicContact CG-CB 4.49Å; P28-I116 HydrophobicContact CG-CG2 3.62Å; P28-L118 HydrophobicContact CB-CB 4.34Å; P28-L118 HydrophobicContact CB-CD1 3.78Å; P28-F147 HydrophobicContact CB-CD2 4.04Å; P28-F147 HydrophobicContact CB-CE2 3.76Å; P28-F147 HydrophobicContact CB-CZ 4.32Å; P28-M153 HydrophobicContact CB-CE 4.33Å; P28-M153 HydrophobicContact CG-CE 3.83Å
29E88.6Confident75.5Confident79 Ų7991.6 Ų91.637%0.36941%0.41SS..Hα-helixtrans-61.4-37.4174.3-65.3-176.516900113.3Q27 R31 I32 Y33 S107 L118Q27-E29 PolarHBondContact O-N 2.99Å; Q27-E29 VanDerWaalsContact O-N 3.09Å; E29-R31 VanDerWaalsContact C-N 3.32Å; E29-R31 PolarHBondContact O-N 3.03Å; E29-I32 PolarHBondContact O-N 3.41Å; E29-Y33 PolarHBondContact O-N 2.88Å; E29-S107 WeakPolarHBondContact OE1-CB 3.33Å; E29-S107 PolarHBondContact OE1-OG 3.18Å; E29-L118 HydrophobicContact CG-CD1 3.91Å
30Y92.1Very high77.7Confident112 Ų11286.7 Ų86.744%0.43940%0.396SS..Hα-helixtrans-66.1-35177.6-176-93.7000111.7V26 Q27 P28 I32 Y33 E34V26-Y30 HydrophobicContact CG1-CD1 3.45Å; V26-Y30 VanDerWaalsContact CG1-CD1 3.45Å; V26-Y30 HydrophobicContact CG1-CE1 4.35Å; V26-Y30 HydrophobicContact CG1-CG 4.13Å; Q27-Y30 WeakPolarHBondContact O-CA 3.48Å; Q27-Y30 VanDerWaalsContact O-CB 3.29Å; Q27-Y30 WeakPolarHBondContact O-CB 3.2Å; Q27-Y30 PolarHBondContact O-N 3.4Å; P28-Y30 VanDerWaalsContact C-N 3.33Å; P28-Y30 PolarHBondContact O-N 3.17Å; Y30-I32 VanDerWaalsContact C-N 3.27Å; Y30-I32 PolarHBondContact O-N 3.34Å; Y30-Y33 HydrophobicContact CD2-CD1 4.19Å; Y30-Y33 HydrophobicContact CE2-CD1 4.01Å; Y30-Y33 HydrophobicContact CE2-CE1 4.39Å; Y30-Y33 WeakPolarHBondContact O-CB 3.29Å; Y30-Y33 PolarHBondContact O-N 2.62Å; Y30-Y33 VanDerWaalsContact O-N 3.14Å; Y30-E34 HydrophobicContact CD1-CG 3.93Å; Y30-E34 HydrophobicContact CE1-CG 3.55Å; Y30-E34 WeakPolarHBondContact CE1-OE1 3.5Å; Y30-E34 PolarHBondContact O-N 3.3Å
31R93.9Very high80.1Confident23 Ų2380 Ų809%0.08738%0.38CS..Hα-helixtrans-61.9-36.1173.4-68.7-64.6-69144.4-5.1112.2V26 Q27 P28 E29 E34 M35 E57 F147 L152 M153V26-R31 HydrophobicContact CG1-CG 3.9Å; Q27-R31 PolarHBondContact O-N 3.12Å; P28-R31 PolarHBondContact O-N 3.29Å; E29-R31 VanDerWaalsContact C-N 3.32Å; E29-R31 PolarHBondContact O-N 3.03Å; R31-E34 IonicContact CZ-OE2 2.63Å; R31-E34 IonicContact NH1-OE2 3.28Å; R31-E34 PolarHBondContact NH1-OE2 3.1Å; R31-E34 PolarHBondContact O-N 3.36Å; R31-M35 WeakPolarHBondContact O-CB 3.45Å; R31-M35 PolarHBondContact O-N 3.42Å; R31-E57 PolarHBondContact NH2-O 3.45Å; R31-F147 HydrophobicContact CB-CE1 4Å; R31-L152 PolarHBondContact NE-O 3.02Å; R31-L152 PolarHBondContact NH2-O 3.46Å; R31-M153 HydrophobicContact CG-CB 3.95Å; R31-M153 PolarHBondContact NE-O 3.2Å; R31-M153 VanDerWaalsContact NE-O 3.14Å
32I95Very high82.6Confident3 Ų373.5 Ų73.52%0.01535%0.349CS..Hα-helixtrans-71.8-36.3174.9-59-62.2000111.5P28 E29 Y30 M35 N36 L104 L145 F147 I155 W158P28-I32 PolarHBondContact O-N 3.18Å; E29-I32 PolarHBondContact O-N 3.41Å; Y30-I32 VanDerWaalsContact C-N 3.27Å; Y30-I32 PolarHBondContact O-N 3.34Å; I32-M35 HydrophobicContact CD1-CE 4.14Å; I32-M35 HydrophobicContact CG2-CE 4.49Å; I32-M35 PolarHBondContact O-N 3.47Å; I32-N36 WeakPolarHBondContact O-CB 3.39Å; I32-N36 VanDerWaalsContact O-CG 3.23Å; I32-N36 PolarHBondContact O-N 3.11Å; I32-N36 PolarHBondContact O-ND2 3.38Å; I32-L104 HydrophobicContact CB-CD1 4.02Å; I32-L104 HydrophobicContact CG1-CD1 3.95Å; I32-L104 HydrophobicContact CG2-CD1 3.92Å; I32-L104 HydrophobicContact CG2-CG 4.36Å; I32-L145 HydrophobicContact CD1-CD1 3.39Å; I32-L145 HydrophobicContact CG1-CD1 3.79Å; I32-F147 HydrophobicContact CD1-CZ 4.19Å; I32-F147 HydrophobicContact CG1-CZ 4.28Å; I32-I155 HydrophobicContact CD1-CD1 4.15Å; I32-W158 HydrophobicContact CD1-CZ3 4.2Å
33Y94.3Very high84.6Confident133 Ų13373.9 Ų73.952%0.52235%0.347SS..Hα-helixtrans-60-45.7170.1171.7-97.3000112.2E29 Y30 M35 N36 K37E29-Y33 PolarHBondContact O-N 2.88Å; Y30-Y33 HydrophobicContact CD2-CD1 4.19Å; Y30-Y33 HydrophobicContact CE2-CD1 4.01Å; Y30-Y33 HydrophobicContact CE2-CE1 4.39Å; Y30-Y33 WeakPolarHBondContact O-CB 3.29Å; Y30-Y33 PolarHBondContact O-N 2.62Å; Y30-Y33 VanDerWaalsContact O-N 3.14Å; Y33-M35 PolarHBondContact O-N 3.29Å; Y33-N36 WeakPolarHBondContact O-CB 3.48Å; Y33-N36 PolarHBondContact O-N 3.39Å; Y33-K37 PolarHBondContact O-N 3.17Å
34E95.2Very high86.2Confident58 Ų5877.2 Ų77.227%0.27135%0.354SS..Hα-helixtrans-62.2-42.5175.6-71.8-172.6135.500112.2Y30 R31 N36 K37 R38 F58Y30-E34 HydrophobicContact CD1-CG 3.93Å; Y30-E34 HydrophobicContact CE1-CG 3.55Å; Y30-E34 WeakPolarHBondContact CE1-OE1 3.5Å; Y30-E34 PolarHBondContact O-N 3.3Å; R31-E34 IonicContact CZ-OE2 2.63Å; R31-E34 IonicContact NH1-OE2 3.28Å; R31-E34 PolarHBondContact NH1-OE2 3.1Å; R31-E34 PolarHBondContact O-N 3.36Å; E34-N36 VanDerWaalsContact C-N 3.34Å; E34-N36 PolarHBondContact O-N 2.85Å; E34-K37 WeakPolarHBondContact O-CB 3.44Å; E34-K37 PolarHBondContact O-N 3.29Å; E34-R38 PolarHBondContact O-N 3.27Å; E34-F58 HydrophobicContact CB-CE1 4.04Å; E34-F58 HydrophobicContact CB-CZ 4.38Å
35M95.8Very high87.8Confident0 Ų074.8 Ų74.80%035%0.351CS..Hα-helixtrans-60.1-44.8176-170.2-172.967.800111.4R31 I32 Y33 K37 R38 L39 F54 F58 Y102 I155 W158R31-M35 WeakPolarHBondContact O-CB 3.45Å; R31-M35 PolarHBondContact O-N 3.42Å; I32-M35 HydrophobicContact CD1-CE 4.14Å; I32-M35 HydrophobicContact CG2-CE 4.49Å; I32-M35 PolarHBondContact O-N 3.47Å; Y33-M35 PolarHBondContact O-N 3.29Å; M35-K37 VanDerWaalsContact C-N 3.34Å; M35-K37 PolarHBondContact O-N 3.49Å; M35-R38 PolarHBondContact O-N 3.19Å; M35-L39 WeakPolarHBondContact O-CG 3.39Å; M35-L39 PolarHBondContact O-N 3.01Å; M35-F54 HydrophobicContact CG-CE2 3.69Å; M35-F54 HydrophobicContact CG-CZ 3.68Å; M35-F54 HydrophobicContact SD-CZ 4.09Å; M35-F58 VanDerWaalsContact CA-CZ 3.5Å; M35-F58 HydrophobicContact CB-CD1 3.77Å; M35-F58 HydrophobicContact CB-CD2 4.46Å; M35-F58 HydrophobicContact CB-CE1 3.72Å; M35-F58 HydrophobicContact CB-CE2 4.45Å; M35-F58 HydrophobicContact CB-CG 4.17Å; M35-F58 HydrophobicContact CB-CZ 4.1Å; M35-F58 HydrophobicContact CG-CD1 4.11Å; M35-F58 HydrophobicContact CG-CD2 4.1Å; M35-F58 HydrophobicContact CG-CE1 4.37Å; M35-F58 HydrophobicContact CG-CE2 4.39Å; M35-F58 HydrophobicContact CG-CG 3.98Å; M35-Y102 HydrophobicContact CE-CD2 3.63Å; M35-Y102 HydrophobicContact CE-CE2 3.93Å; M35-I155 HydrophobicContact SD-CD1 4.43Å; M35-W158 HydrophobicContact CE-CH2 3.51Å; M35-W158 HydrophobicContact CE-CZ3 3.56Å; M35-W158 HydrophobicContact SD-CH2 4.35Å; M35-W158 HydrophobicContact SD-CZ3 3.86Å
36N96.4Very high89.2Confident19 Ų1971.3 Ų71.310%0.10234%0.337CS..Hα-helixtrans-60.5-44174.8-71.8-25.1000111.6I32 Y33 E34 R38 L39 Q40 H101 Y102I32-N36 WeakPolarHBondContact O-CB 3.39Å; I32-N36 VanDerWaalsContact O-CG 3.23Å; I32-N36 PolarHBondContact O-N 3.11Å; I32-N36 PolarHBondContact O-ND2 3.38Å; Y33-N36 WeakPolarHBondContact O-CB 3.48Å; Y33-N36 PolarHBondContact O-N 3.39Å; E34-N36 VanDerWaalsContact C-N 3.34Å; E34-N36 PolarHBondContact O-N 2.85Å; N36-R38 VanDerWaalsContact C-N 3.33Å; N36-R38 PolarHBondContact O-N 2.88Å; N36-L39 PolarHBondContact O-N 3.35Å; N36-Q40 WeakPolarHBondContact O-CG 3.44Å; N36-Q40 PolarHBondContact O-N 3.45Å; N36-H101 HydrophobicContact CB-CB 4.16Å; N36-H101 WeakPolarHBondContact OD1-CA 3.43Å; N36-Y102 PolarHBondContact ND2-O 3.47Å; N36-Y102 PolarHBondContact OD1-N 3.19Å
37K95.8Very high90.3Very high119 Ų11972.6 Ų72.652%0.51734%0.341SS..Hα-helixtrans-61.8-42.3177-173179.7-179.8-176.90111.2Y33 E34 M35 L39 Q40 T41Y33-K37 PolarHBondContact O-N 3.17Å; E34-K37 WeakPolarHBondContact O-CB 3.44Å; E34-K37 PolarHBondContact O-N 3.29Å; M35-K37 VanDerWaalsContact C-N 3.34Å; M35-K37 PolarHBondContact O-N 3.49Å; K37-L39 VanDerWaalsContact C-N 3.35Å; K37-L39 PolarHBondContact O-N 2.87Å; K37-Q40 WeakPolarHBondContact O-CB 3.35Å; K37-Q40 PolarHBondContact O-N 2.66Å; K37-T41 PolarHBondContact O-N 2.86Å
38R95.4Very high90.7Very high53 Ų5371.1 Ų71.120%0.234%0.344CS..Hα-helixtrans-61.5-43176.2-171.175.6176.577.614.9111.5E34 M35 N36 Q40 T41 F54 E57 F58E34-R38 PolarHBondContact O-N 3.27Å; M35-R38 PolarHBondContact O-N 3.19Å; N36-R38 VanDerWaalsContact C-N 3.33Å; N36-R38 PolarHBondContact O-N 2.88Å; R38-Q40 VanDerWaalsContact C-N 3.28Å; R38-Q40 PolarHBondContact O-N 2.82Å; R38-T41 PolarHBondContact NH1-OG1 2.87Å; R38-T41 PolarHBondContact O-N 3.23Å; R38-T41 PolarHBondContact O-OG1 2.82Å; R38-F54 HydrophobicContact CB-CD2 4.44Å; R38-F54 HydrophobicContact CG-CD2 3.87Å; R38-F54 HydrophobicContact CG-CE2 4.46Å; R38-E57 IonicContact NE-OE2 3.28Å; R38-E57 PolarHBondContact NE-OE2 2.84Å; R38-F58 HydrophobicContact CB-CE2 3.85Å; R38-F58 HydrophobicContact CB-CZ 4.01Å; R38-F58 HydrophobicContact CG-CE2 3.92Å; R38-F58 HydrophobicContact CG-CZ 4.47Å
39L94.4Very high91.1Very high4 Ų476.9 Ų76.92%0.02137%0.374CS..Hα-helixtrans-62.7-32.9175.4-70.8169.9000112.8M35 N36 K37 R42 W51 F54 F93 L100M35-L39 WeakPolarHBondContact O-CG 3.39Å; M35-L39 PolarHBondContact O-N 3.01Å; N36-L39 PolarHBondContact O-N 3.35Å; K37-L39 VanDerWaalsContact C-N 3.35Å; K37-L39 PolarHBondContact O-N 2.87Å; L39-R42 WeakPolarHBondContact O-CB 3.04Å; L39-R42 PolarHBondContact O-N 2.91Å; L39-W51 HydrophobicContact CD2-CH2 4.33Å; L39-W51 HydrophobicContact CD2-CZ3 4.04Å; L39-F54 HydrophobicContact CD1-CZ 4.49Å; L39-F54 HydrophobicContact CD2-CD2 4.45Å; L39-F54 HydrophobicContact CD2-CE2 3.84Å; L39-F54 HydrophobicContact CD2-CZ 3.95Å; L39-F54 HydrophobicContact CG-CE2 3.9Å; L39-F54 HydrophobicContact CG-CZ 4.2Å; L39-F93 HydrophobicContact CD2-CE2 4.21Å; L39-F93 HydrophobicContact CD2-CZ 4.34Å; L39-L100 HydrophobicContact CD1-CD2 4.05Å; L39-L100 HydrophobicContact CD1-CG 4.16Å
40Q90.4Very high91.5Very high122 Ų12275.1 Ų75.157%0.5736%0.364SS*.Hα-helixtrans-71.6-28.9175.6-71.1170.93.600113.4N36 K37 R38 R42N36-Q40 WeakPolarHBondContact O-CG 3.44Å; N36-Q40 PolarHBondContact O-N 3.45Å; K37-Q40 WeakPolarHBondContact O-CB 3.35Å; K37-Q40 PolarHBondContact O-N 2.66Å; R38-Q40 VanDerWaalsContact C-N 3.28Å; R38-Q40 PolarHBondContact O-N 2.82Å; Q40-R42 PolarHBondContact O-N 2.88Å
41T89.9Confident91.6Very high84 Ų8470.2 Ų70.252%0.51535%0.345SS..THydrogen-bonded Turntrans-75.1-2.9175.8620000113.8K37 R38K37-T41 PolarHBondContact O-N 2.86Å; R38-T41 PolarHBondContact NH1-OG1 2.87Å; R38-T41 PolarHBondContact O-N 3.23Å; R38-T41 PolarHBondContact O-OG1 2.82Å
42R89.5Confident91.7Very high47 Ų4772.6 Ų72.618%0.17736%0.359CS..  trans-64.5133.2179.9-171.5-150.570.8115.3-4.8110.7L39 Q40 S46 W50 W51 F93L39-R42 WeakPolarHBondContact O-CB 3.04Å; L39-R42 PolarHBondContact O-N 2.91Å; Q40-R42 PolarHBondContact O-N 2.88Å; R42-S46 VanDerWaalsContact CG-OG 3.27Å; R42-S46 WeakPolarHBondContact CG-OG 3.26Å; R42-W50 HydrophobicContact CB-CH2 3.8Å; R42-W50 HydrophobicContact CB-CZ2 3.76Å; R42-W50 HydrophobicContact CG-CH2 3.94Å; R42-W50 HydrophobicContact CG-CZ2 4.05Å; R42-W50 HydrophobicContact CG-CZ3 4.33Å; R42-W51 HydrophobicContact CG-CZ2 4.46Å; R42-F93 VanDerWaalsContact NE-CD1 3.32Å
43T84.6Confident91.8Very high85 Ų8574.8 Ų74.852%0.52138%0.378SS..  trans-98.1160.6168.358.90000110.8E45 S46T43-E45 PolarHBondContact O-N 2.81Å; T43-S46 PolarHBondContact N-OG 2.84Å; T43-S46 WeakPolarHBondContact O-CB 3.4Å; T43-S46 PolarHBondContact O-N 2.77Å; T43-S46 VanDerWaalsContact O-N 3.16Å; T43-S46 PolarHBondContact O-OG 2.95Å
44E79.6Confident91.9Very high169 Ų16968.5 Ų68.579%0.7935%0.353SS*.THydrogen-bonded Turntrans-61-23.6176.2-68.7-176172.100113S46E44-S46 VanDerWaalsContact C-N 3.32Å; E44-S46 PolarHBondContact O-N 2.89Å
45E80.2Confident91.9Very high184 Ų18465.7 Ų65.786%0.8634%0.34SS*.THydrogen-bonded Turntrans-86.89.5178.6-58.9-177.8166.700114.2T43 D47T43-E45 PolarHBondContact O-N 2.81Å; E45-D47 PolarHBondContact O-N 3.03Å; E45-D47 VanDerWaalsContact O-N 3.15Å
46S86.3Confident91.9Very high22 Ų2269.2 Ų69.215%0.15436%0.362CS..  trans-63.1118.3-178.4-59.10000111R42 T43 E44R42-S46 VanDerWaalsContact CG-OG 3.27Å; R42-S46 WeakPolarHBondContact CG-OG 3.26Å; T43-S46 PolarHBondContact N-OG 2.84Å; T43-S46 WeakPolarHBondContact O-CB 3.4Å; T43-S46 PolarHBondContact O-N 2.77Å; T43-S46 VanDerWaalsContact O-N 3.16Å; T43-S46 PolarHBondContact O-OG 2.95Å; E44-S46 VanDerWaalsContact C-N 3.32Å; E44-S46 PolarHBondContact O-N 2.89Å
47D90.9Very high91.9Very high87 Ų8772.2 Ų72.247%0.46538%0.375SS..  trans-85.9-178.8-175.872.4-12000112.8E45 L49 W50 W51E45-D47 PolarHBondContact O-N 3.03Å; E45-D47 VanDerWaalsContact O-N 3.15Å; D47-L49 PolarHBondContact O-N 2.97Å; D47-L49 PolarHBondContact OD1-N 2.88Å; D47-W50 PolarHBondContact O-N 3.22Å; D47-W50 PolarHBondContact OD1-N 2.83Å; D47-W51 PolarHBondContact O-N 2.99Å
48S91.4Very high92Very high88 Ų8866.7 Ų66.762%0.61535%0.351SS*.Hα-helixtrans-60.3-33.9176.7530000112.7W51 D52S48-W51 PolarHBondContact O-N 3.17Å; S48-D52 PolarHBondContact O-N 2.8Å
49L94.1Very high92.1Very high123 Ų12364.2 Ų64.264%0.64434%0.342SS*.Hα-helixtrans-67.9-37.9-177.9-153.778.3000111.4D47 W51 D52 A53D47-L49 PolarHBondContact O-N 2.97Å; D47-L49 PolarHBondContact OD1-N 2.88Å; L49-W51 VanDerWaalsContact C-N 3.33Å; L49-W51 PolarHBondContact O-N 3.28Å; L49-D52 PolarHBondContact O-N 3.44Å; L49-A53 WeakPolarHBondContact O-CB 3.49Å; L49-A53 PolarHBondContact O-N 3.27Å
50W95.4Very high92.2Very high42 Ų4265.1 Ų65.116%0.15935%0.346CS..Hα-helixtrans-60.2-43173.5-172.1103.8000111.8R42 D47 A53 F54R42-W50 HydrophobicContact CB-CH2 3.8Å; R42-W50 HydrophobicContact CB-CZ2 3.76Å; R42-W50 HydrophobicContact CG-CH2 3.94Å; R42-W50 HydrophobicContact CG-CZ2 4.05Å; R42-W50 HydrophobicContact CG-CZ3 4.33Å; D47-W50 PolarHBondContact O-N 3.22Å; D47-W50 PolarHBondContact OD1-N 2.83Å; W50-A53 PolarHBondContact O-N 3.05Å; W50-F54 HydrophobicContact CE3-CB 4.28Å; W50-F54 HydrophobicContact CZ3-CB 4.07Å; W50-F54 HydrophobicContact CZ3-CG 4.36Å; W50-F54 WeakPolarHBondContact O-CB 3.38Å; W50-F54 PolarHBondContact O-N 2.85Å
51W95.6Very high92.4Very high10 Ų1067.1 Ų67.14%0.03836%0.355CS..Hα-helixtrans-67.7-37.6177.7-71111.8000112.5L39 R42 D47 S48 L49 F54 A55 P86 F89 S90 F93L39-W51 HydrophobicContact CD2-CH2 4.33Å; L39-W51 HydrophobicContact CD2-CZ3 4.04Å; R42-W51 HydrophobicContact CG-CZ2 4.46Å; D47-W51 PolarHBondContact O-N 2.99Å; S48-W51 PolarHBondContact O-N 3.17Å; L49-W51 VanDerWaalsContact C-N 3.33Å; L49-W51 PolarHBondContact O-N 3.28Å; W51-F54 HydrophobicContact CE3-CD1 4.27Å; W51-F54 WeakPolarHBondContact O-CB 3.04Å; W51-F54 PolarHBondContact O-N 2.83Å; W51-A55 WeakPolarHBondContact O-CB 3.43Å; W51-A55 PolarHBondContact O-N 2.52Å; W51-P86 HydrophobicContact CB-CB 3.84Å; W51-F89 HydrophobicContact CE3-CB 3.7Å; W51-F89 HydrophobicContact CH2-CB 4.15Å; W51-F89 HydrophobicContact CZ3-CB 3.38Å; W51-F89 HydrophobicContact CZ3-CG 4.42Å; W51-S90 PolarHBondContact NE1-OG 3.13Å; W51-F93 AromaticContact CH2-CD2 3.45Å; W51-F93 HydrophobicContact CH2-CD2 3.45Å; W51-F93 VanDerWaalsContact CH2-CD2 3.45Å; W51-F93 AromaticContact CH2-CE2 3.46Å; W51-F93 HydrophobicContact CH2-CE2 3.46Å; W51-F93 VanDerWaalsContact CH2-CE2 3.46Å; W51-F93 HydrophobicContact CH2-CG 4.42Å; W51-F93 HydrophobicContact CH2-CZ 4.4Å; W51-F93 AromaticContact CZ2-CD2 3.78Å; W51-F93 HydrophobicContact CZ2-CD2 3.78Å; W51-F93 HydrophobicContact CZ2-CE2 4.23Å; W51-F93 HydrophobicContact CZ2-CG 4.43Å; W51-F93 HydrophobicContact CZ3-CE2 4.36Å
52D95.6Very high92.6Very high73 Ų7367.6 Ų67.639%0.3936%0.355SS..Hα-helixtrans-66.1-40.4174.4-74-29.8000111.6S48 L49 A55 T56 P86S48-D52 PolarHBondContact O-N 2.8Å; L49-D52 PolarHBondContact O-N 3.44Å; D52-A55 PolarHBondContact O-N 3Å; D52-T56 WeakPolarHBondContact O-CB 3.19Å; D52-T56 PolarHBondContact O-N 2.69Å; D52-T56 PolarHBondContact O-OG1 3.36Å; D52-P86 VanDerWaalsContact OD1-CG 3.26Å; D52-P86 WeakPolarHBondContact OD1-CG 3.29Å
53A96.1Very high93Very high49 Ų4965.4 Ų65.441%0.40535%0.346SS..Hα-helixtrans-62.9-46.4173.500000111.3L49 W50 A55 T56 E57L49-A53 WeakPolarHBondContact O-CB 3.49Å; L49-A53 PolarHBondContact O-N 3.27Å; W50-A53 PolarHBondContact O-N 3.05Å; A53-A55 PolarHBondContact O-N 2.76Å; A53-T56 PolarHBondContact O-N 3.24Å; A53-T56 VanDerWaalsContact O-N 3.15Å; A53-E57 WeakPolarHBondContact O-CB 3.1Å; A53-E57 PolarHBondContact O-N 2.81Å
54F96.4Very high93.6Very high0 Ų063.7 Ų63.70%034%0.336CS..Hα-helixtrans-55-49.3173.5168.2-93.5000111.5M35 R38 L39 W50 W51 T56 E57 F58 F59 F89M35-F54 HydrophobicContact CG-CE2 3.69Å; M35-F54 HydrophobicContact CG-CZ 3.68Å; M35-F54 HydrophobicContact SD-CZ 4.09Å; R38-F54 HydrophobicContact CB-CD2 4.44Å; R38-F54 HydrophobicContact CG-CD2 3.87Å; R38-F54 HydrophobicContact CG-CE2 4.46Å; L39-F54 HydrophobicContact CD1-CZ 4.49Å; L39-F54 HydrophobicContact CD2-CD2 4.45Å; L39-F54 HydrophobicContact CD2-CE2 3.84Å; L39-F54 HydrophobicContact CD2-CZ 3.95Å; L39-F54 HydrophobicContact CG-CE2 3.9Å; L39-F54 HydrophobicContact CG-CZ 4.2Å; W50-F54 HydrophobicContact CE3-CB 4.28Å; W50-F54 HydrophobicContact CZ3-CB 4.07Å; W50-F54 HydrophobicContact CZ3-CG 4.36Å; W50-F54 WeakPolarHBondContact O-CB 3.38Å; W50-F54 PolarHBondContact O-N 2.85Å; W51-F54 HydrophobicContact CE3-CD1 4.27Å; W51-F54 WeakPolarHBondContact O-CB 3.04Å; W51-F54 PolarHBondContact O-N 2.83Å; F54-T56 VanDerWaalsContact C-N 3.27Å; F54-T56 PolarHBondContact O-N 2.87Å; F54-E57 PolarHBondContact O-N 2.84Å; F54-F58 AromaticContact CD2-CD2 3.75Å; F54-F58 HydrophobicContact CD2-CD2 3.75Å; F54-F58 AromaticContact CD2-CE2 3.89Å; F54-F58 HydrophobicContact CD2-CE2 3.89Å; F54-F58 AromaticContact CE2-CD2 3.64Å; F54-F58 HydrophobicContact CE2-CD2 3.64Å; F54-F58 AromaticContact CE2-CE2 3.9Å; F54-F58 HydrophobicContact CE2-CE2 3.9Å; F54-F58 HydrophobicContact CG-CD2 4.42Å; F54-F58 HydrophobicContact CZ-CD2 4.23Å; F54-F58 WeakPolarHBondContact O-CD2 3.25Å; F54-F58 PolarHBondContact O-N 3.44Å; F54-F59 HydrophobicContact CE1-CE2 4.17Å; F54-F89 HydrophobicContact CD1-CD2 4.38Å; F54-F89 HydrophobicContact CE1-CD1 4.41Å; F54-F89 AromaticContact CE1-CD2 3.62Å; F54-F89 HydrophobicContact CE1-CD2 3.62Å; F54-F89 AromaticContact CE1-CE2 3.76Å; F54-F89 HydrophobicContact CE1-CE2 3.76Å; F54-F89 AromaticContact CE1-CG 3.97Å; F54-F89 HydrophobicContact CE1-CG 3.97Å; F54-F89 HydrophobicContact CE1-CZ 4.23Å; F54-F89 HydrophobicContact CZ-CD2 4.5Å; F54-F89 HydrophobicContact CZ-CE2 4.42Å; F54-F89 HydrophobicContact CZ-CZ 4.45Å
55A96.6Very high94.4Very high0 Ų055.7 Ų55.70%030%0.299CS..Hα-helixtrans-65.8-32179.600000112.4W51 D52 A53 F59 R82 P86W51-A55 WeakPolarHBondContact O-CB 3.43Å; W51-A55 PolarHBondContact O-N 2.52Å; D52-A55 PolarHBondContact O-N 3Å; A53-A55 PolarHBondContact O-N 2.76Å; A55-F59 WeakPolarHBondContact O-CA 3.47Å; A55-F59 VanDerWaalsContact O-CB 3.28Å; A55-F59 WeakPolarHBondContact O-CB 3.43Å; A55-F59 PolarHBondContact O-N 2.83Å; A55-R82 VanDerWaalsContact C-NH2 3.33Å; A55-R82 PolarHBondContact O-NH2 3.18Å; A55-P86 HydrophobicContact CB-CB 4.38Å; A55-P86 HydrophobicContact CB-CG 3.63Å
56T96.1Very high95.2Very high74 Ų7447.6 Ų47.645%0.45426%0.262SS..Hα-helixtrans-71.3-33.1177.4-55.30000112.2D52 A53 F54 R82D52-T56 WeakPolarHBondContact O-CB 3.19Å; D52-T56 PolarHBondContact O-N 2.69Å; D52-T56 PolarHBondContact O-OG1 3.36Å; A53-T56 PolarHBondContact O-N 3.24Å; A53-T56 VanDerWaalsContact O-N 3.15Å; F54-T56 VanDerWaalsContact C-N 3.27Å; F54-T56 PolarHBondContact O-N 2.87Å; T56-R82 VanDerWaalsContact CA-NH2 3.3Å; T56-R82 VanDerWaalsContact N-NH2 3.18Å; T56-R82 PolarHBondContact OG1-NH2 3Å
57E96.1Very high95.7Very high82 Ų8246.6 Ų46.638%0.38326%0.255SS..Hα-helixtrans-71.5-37.8179-172.1-179.816800112.6R31 R38 A53 F54R31-E57 PolarHBondContact NH2-O 3.45Å; R38-E57 IonicContact NE-OE2 3.28Å; R38-E57 PolarHBondContact NE-OE2 2.84Å; A53-E57 WeakPolarHBondContact O-CB 3.1Å; A53-E57 PolarHBondContact O-N 2.81Å; F54-E57 PolarHBondContact O-N 2.84Å
58F96.7Very high96Very high2 Ų243.3 Ų43.31%0.00924%0.238CC..Hα-helixtrans-110.7-19.4-172.8-64-74.8000115.3E34 M35 R38 F54 I155E34-F58 HydrophobicContact CB-CE1 4.04Å; E34-F58 HydrophobicContact CB-CZ 4.38Å; M35-F58 VanDerWaalsContact CA-CZ 3.5Å; M35-F58 HydrophobicContact CB-CD1 3.77Å; M35-F58 HydrophobicContact CB-CD2 4.46Å; M35-F58 HydrophobicContact CB-CE1 3.72Å; M35-F58 HydrophobicContact CB-CE2 4.45Å; M35-F58 HydrophobicContact CB-CG 4.17Å; M35-F58 HydrophobicContact CB-CZ 4.1Å; M35-F58 HydrophobicContact CG-CD1 4.11Å; M35-F58 HydrophobicContact CG-CD2 4.1Å; M35-F58 HydrophobicContact CG-CE1 4.37Å; M35-F58 HydrophobicContact CG-CE2 4.39Å; M35-F58 HydrophobicContact CG-CG 3.98Å; R38-F58 HydrophobicContact CB-CE2 3.85Å; R38-F58 HydrophobicContact CB-CZ 4.01Å; R38-F58 HydrophobicContact CG-CE2 3.92Å; R38-F58 HydrophobicContact CG-CZ 4.47Å; F54-F58 AromaticContact CD2-CD2 3.75Å; F54-F58 HydrophobicContact CD2-CD2 3.75Å; F54-F58 AromaticContact CD2-CE2 3.89Å; F54-F58 HydrophobicContact CD2-CE2 3.89Å; F54-F58 AromaticContact CE2-CD2 3.64Å; F54-F58 HydrophobicContact CE2-CD2 3.64Å; F54-F58 AromaticContact CE2-CE2 3.9Å; F54-F58 HydrophobicContact CE2-CE2 3.9Å; F54-F58 HydrophobicContact CG-CD2 4.42Å; F54-F58 HydrophobicContact CZ-CD2 4.23Å; F54-F58 WeakPolarHBondContact O-CD2 3.25Å; F54-F58 PolarHBondContact O-N 3.44Å; F58-I155 WeakPolarHBondContact O-CB 3.31Å; F58-I155 WeakPolarHBondContact O-CG1 3.39Å; F58-I155 PolarHBondContact O-N 3.01Å
59F97.8Very high96.1Very high1 Ų139.3 Ų39.30%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-120.6143.5-175.4-63.8-97000112.2F54 A55 A63 I85 F89 I155 W158F54-F59 HydrophobicContact CE1-CE2 4.17Å; A55-F59 WeakPolarHBondContact O-CA 3.47Å; A55-F59 VanDerWaalsContact O-CB 3.28Å; A55-F59 WeakPolarHBondContact O-CB 3.43Å; A55-F59 PolarHBondContact O-N 2.83Å; F59-A63 HydrophobicContact CB-CB 3.86Å; F59-A63 HydrophobicContact CD1-CB 4.09Å; F59-A63 HydrophobicContact CG-CB 4.49Å; F59-I85 HydrophobicContact CD1-CD1 3.75Å; F59-I85 HydrophobicContact CD1-CG2 4.33Å; F59-I85 HydrophobicContact CD2-CG2 4.02Å; F59-I85 HydrophobicContact CE1-CD1 4.16Å; F59-I85 HydrophobicContact CE1-CG2 4.21Å; F59-I85 HydrophobicContact CE2-CG2 3.9Å; F59-I85 HydrophobicContact CG-CD1 4.18Å; F59-I85 HydrophobicContact CG-CG2 4.24Å; F59-I85 HydrophobicContact CZ-CG2 4Å; F59-F89 AromaticContact CE2-CE2 3.77Å; F59-F89 HydrophobicContact CE2-CE2 3.77Å; F59-F89 HydrophobicContact CE2-CZ 4.25Å; F59-F89 AromaticContact CZ-CE2 3.71Å; F59-F89 HydrophobicContact CZ-CE2 3.71Å; F59-F89 AromaticContact CZ-CZ 3.95Å; F59-F89 HydrophobicContact CZ-CZ 3.95Å; F59-I155 WeakPolarHBondContact CA-O 3.22Å; F59-I155 HydrophobicContact CD1-CB 3.93Å; F59-I155 HydrophobicContact CD1-CG2 4.07Å; F59-I155 HydrophobicContact CE1-CB 4.15Å; F59-I155 HydrophobicContact CE1-CD1 4.34Å; F59-I155 HydrophobicContact CE1-CG2 4.01Å; F59-I155 HydrophobicContact CZ-CD1 4.33Å; F59-W158 HydrophobicContact CE1-CB 4.26Å; F59-W158 HydrophobicContact CE1-CE3 4.12Å; F59-W158 HydrophobicContact CZ-CE3 4.01Å
60E96.6Very high95.9Very high24 Ų2437.2 Ų37.211%0.11221%0.205CC..EExtended strand (participates in β ladder)trans-66.2163171.3-82.8-60.5148.500112.7D62 A63 R82 A148 R154 I155E60-D62 VanDerWaalsContact C-N 3.28Å; E60-D62 PolarHBondContact O-N 2.92Å; E60-A63 HydrophobicContact CB-CB 4.25Å; E60-A63 WeakPolarHBondContact O-CB 3.29Å; E60-A63 PolarHBondContact O-N 2.82Å; E60-R82 WeakPolarHBondContact O-CD 3.34Å; E60-R82 WeakPolarHBondContact O-CG 3.41Å; E60-R82 PolarHBondContact O-NE 3.02Å; E60-A148 HydrophobicContact CG-CB 4.26Å; E60-R154 HydrophobicContact CG-CB 3.92Å; E60-R154 IonicContact OE1-CZ 2.79Å; E60-R154 IonicContact OE1-NE 2.85Å; E60-R154 PolarHBondContact OE1-NE 2.8Å; E60-R154 IonicContact OE1-NH2 3.6Å; E60-R154 PolarHBondContact OE1-NH2 2.86Å; E60-R154 IonicContact OE2-CZ 3.79Å; E60-R154 IonicContact OE2-NE 2.77Å; E60-R154 IonicContact OE2-NH2 3.12Å; E60-R154 PolarHBondContact OE2-NH2 2.83Å; E60-I155 PolarHBondContact N-O 3.14Å
61E95.4Very high95.5Very high164 Ų16436.5 Ų36.577%0.76620%0.204SC*.EExtended strand (participates in β ladder)trans-67.1-29.7178.4-69.8-172.5179.700113R82E61-R82 VanDerWaalsContact O-CB 3.24Å; E61-R82 WeakPolarHBondContact O-CB 3.46Å; E61-R82 WeakPolarHBondContact O-CG 3.2Å
62D94.8Very high94.9Very high94 Ų9444.7 Ų44.750%0.50324%0.243SC..EExtended strand (participates in β ladder)trans-97.415.917671.4-21.9000112.8E60 K156E60-D62 VanDerWaalsContact C-N 3.28Å; E60-D62 PolarHBondContact O-N 2.92Å; D62-K156 VanDerWaalsContact OD2-CE 3.24Å; D62-K156 WeakPolarHBondContact OD2-CE 3.39Å; D62-K156 IonicContact OD2-NZ 2.69Å
63A96.9Very high94.4Very high0 Ų047.2 Ų47.20%026%0.256CS..EExtended strand (participates in β ladder)trans-65.1147.9-172.900000113.8F59 E60 G81 R82 I85 I155 K156F59-A63 HydrophobicContact CB-CB 3.86Å; F59-A63 HydrophobicContact CD1-CB 4.09Å; F59-A63 HydrophobicContact CG-CB 4.49Å; E60-A63 HydrophobicContact CB-CB 4.25Å; E60-A63 WeakPolarHBondContact O-CB 3.29Å; E60-A63 PolarHBondContact O-N 2.82Å; A63-G81 CarbonylContact O-C 3.53Å; A63-R82 PolarHBondContact O-N 3.06Å; A63-I85 HydrophobicContact CB-CD1 4.09Å; A63-I155 WeakPolarHBondContact CB-O 3.27Å; A63-K156 CarbonylContact C-O 3.5Å; A63-K156 WeakPolarHBondContact CA-O 3.29Å
64T96.7Very high94.1Very high50 Ų5046 Ų4631%0.30725%0.248SC..EExtended strand (participates in β ladder)trans-125.7137.317854.30000111.1K156 W158T64-K156 PolarHBondContact N-O 3.27Å; T64-W158 PolarHBondContact O-N 3.34Å
65L97.5Very high93.9Very high1 Ų151.3 Ų51.31%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-118.8121.2175.5-174159.1000109.4L67 T79 I80 I85 Y88 F89 W158L65-L67 HydrophobicContact CD2-CD1 4.2Å; L65-L67 HydrophobicContact CD2-CG 3.9Å; L65-T79 CarbonylContact O-C 3.5Å; L65-T79 WeakPolarHBondContact O-CA 3.45Å; L65-I80 HydrophobicContact CB-CD1 4.33Å; L65-I80 HydrophobicContact CB-CG1 3.8Å; L65-I80 HydrophobicContact CD2-CD1 4.13Å; L65-I80 HydrophobicContact CD2-CG1 4.12Å; L65-I80 HydrophobicContact CG-CG1 4.47Å; L65-I80 PolarHBondContact N-O 2.86Å; L65-I80 PolarHBondContact O-N 2.82Å; L65-I85 HydrophobicContact CB-CD1 4.16Å; L65-I85 HydrophobicContact CB-CG1 4.07Å; L65-I85 HydrophobicContact CD1-CG2 4.38Å; L65-Y88 HydrophobicContact CD1-CD1 3.65Å; L65-Y88 HydrophobicContact CD1-CE1 3.83Å; L65-Y88 HydrophobicContact CD1-CG 4.43Å; L65-Y88 HydrophobicContact CD2-CD1 4.39Å; L65-Y88 HydrophobicContact CD2-CE1 4.32Å; L65-F89 HydrophobicContact CD1-CE2 4.18Å; L65-F89 HydrophobicContact CD1-CZ 4.37Å; L65-W158 CarbonylContact C-O 3.46Å; L65-W158 WeakPolarHBondContact CA-O 3.32Å; L65-W158 HydrophobicContact CB-CB 4.35Å; L65-W158 HydrophobicContact CD1-CG 4.34Å; L65-W158 HydrophobicContact CG-CB 4.19Å; L65-W158 HydrophobicContact CG-CG 4.03Å
66T97.3Very high93.8Very high14 Ų1454.8 Ų54.89%0.08630%0.298CS..EExtended strand (participates in β ladder)trans-120.4126.5-177.3-53.50000110.6R77 Y78 W158 H159 F160T66-R77 HydrophobicContact CG2-CG 3.85Å; T66-Y78 CarbonylContact C-O 3.54Å; T66-Y78 VanDerWaalsContact CA-O 3.29Å; T66-Y78 WeakPolarHBondContact CA-O 3.45Å; T66-W158 PolarHBondContact N-O 3.45Å; T66-H159 WeakPolarHBondContact O-CA 3.48Å; T66-F160 PolarHBondContact O-N 3.35Å
67L96.6Very high93.7Very high0 Ų060 Ų600%031%0.309CS..EExtended strand (participates in β ladder)trans-113.9127.2171.8-66.9169.3000109.6L65 F69 R77 Y78 Y88 F160 L196 L204L65-L67 HydrophobicContact CD2-CD1 4.2Å; L65-L67 HydrophobicContact CD2-CG 3.9Å; L67-F69 HydrophobicContact CB-CD1 4.36Å; L67-F69 HydrophobicContact CB-CE1 4.15Å; L67-R77 CarbonylContact O-C 3.52Å; L67-R77 WeakPolarHBondContact O-CA 3.36Å; L67-Y78 PolarHBondContact N-O 3.2Å; L67-Y78 PolarHBondContact O-N 3.32Å; L67-Y88 HydrophobicContact CD1-CD2 4.4Å; L67-Y88 HydrophobicContact CD1-CE2 3.48Å; L67-Y88 VanDerWaalsContact CD1-CE2 3.48Å; L67-F160 WeakPolarHBondContact CA-O 3.5Å; L67-F160 HydrophobicContact CD2-CB 3.96Å; L67-F160 HydrophobicContact CD2-CD1 3.95Å; L67-F160 HydrophobicContact CD2-CG 4.47Å; L67-L196 HydrophobicContact CD1-CD1 4.46Å; L67-L204 HydrophobicContact CD1-CD1 3.58Å; L67-L204 HydrophobicContact CD1-CD2 4.04Å; L67-L204 HydrophobicContact CD1-CG 4.45Å
68S96.1Very high93.7Very high18 Ų1857.1 Ų57.113%0.12630%0.295CS..EExtended strand (participates in β ladder)trans-124.8126.5177.9-58.30000109.9K76 H159 F160 T161 I162S68-K76 WeakPolarHBondContact CA-O 3.42Å; S68-H159 PolarHBondContact OG-NE2 3.27Å; S68-H159 VanDerWaalsContact OG-NE2 3.09Å; S68-F160 PolarHBondContact N-O 2.91Å; S68-T161 CarbonylContact O-C 3.58Å; S68-T161 VanDerWaalsContact O-CA 3.32Å; S68-T161 WeakPolarHBondContact O-CA 3.33Å; S68-I162 PolarHBondContact O-N 3.01Å
69F94.5Very high93.6Very high5 Ų560 Ų602%0.02231%0.312CS..EExtended strand (participates in β ladder)trans-158.7157.8179.851.5-92.2000110.9L67 L71 K76 Y78 I162 M194 L196 L201L67-F69 HydrophobicContact CB-CD1 4.36Å; L67-F69 HydrophobicContact CB-CE1 4.15Å; F69-L71 HydrophobicContact CD2-CD2 4.04Å; F69-L71 HydrophobicContact CD2-CG 3.88Å; F69-L71 HydrophobicContact CE2-CD1 3.94Å; F69-L71 HydrophobicContact CE2-CD2 3.93Å; F69-L71 HydrophobicContact CE2-CG 3.73Å; F69-K76 HydrophobicContact CE2-CB 4.38Å; F69-K76 PolarHBondContact N-O 3.29Å; F69-K76 PolarHBondContact O-N 3.15Å; F69-K76 VanDerWaalsContact O-O 3.11Å; F69-Y78 AromaticContact CE1-CD2 3.75Å; F69-Y78 HydrophobicContact CE1-CD2 3.75Å; F69-Y78 AromaticContact CE1-CE2 3.97Å; F69-Y78 HydrophobicContact CE1-CE2 3.97Å; F69-Y78 HydrophobicContact CE2-CE2 4.09Å; F69-Y78 AromaticContact CZ-CD2 3.67Å; F69-Y78 HydrophobicContact CZ-CD2 3.67Å; F69-Y78 AromaticContact CZ-CE2 3.39Å; F69-Y78 HydrophobicContact CZ-CE2 3.39Å; F69-I162 HydrophobicContact CB-CB 3.93Å; F69-I162 HydrophobicContact CB-CD1 4.21Å; F69-I162 HydrophobicContact CB-CG1 4.4Å; F69-I162 HydrophobicContact CD1-CD1 4.04Å; F69-I162 HydrophobicContact CG-CD1 4.38Å; F69-M194 HydrophobicContact CB-CB 4.32Å; F69-M194 HydrophobicContact CB-CE 4.41Å; F69-M194 HydrophobicContact CB-CG 4.45Å; F69-M194 HydrophobicContact CD2-CB 4.16Å; F69-M194 HydrophobicContact CD2-CG 4.21Å; F69-M194 HydrophobicContact CG-CB 4.41Å; F69-L196 HydrophobicContact CD1-CD1 4.21Å; F69-L196 HydrophobicContact CE1-CD1 3.66Å; F69-L196 HydrophobicContact CZ-CD1 4.01Å; F69-L201 HydrophobicContact CE1-CD2 4.37Å; F69-L201 HydrophobicContact CE2-CD2 3.75Å; F69-L201 HydrophobicContact CZ-CD2 3.37Å
70C89.1Confident93.4Very high79 Ų7960.1 Ų60.153%0.53431%0.313SS..EExtended strand (participates in β ladder)trans-97.6122.2176.6-620000109.7M194C70-M194 VanDerWaalsContact O-CG 3.25Å; C70-M194 WeakPolarHBondContact O-CG 2.99Å; C70-M194 VanDerWaalsContact O-SD 3.38Å
71L87.2Confident93.3Very high26 Ų2660.5 Ų60.514%0.13632%0.324CS..EExtended strand (participates in β ladder)trans-97.4176.7166.5-68.8178.4000109.4F69 D73 G74 K76 R193 M194F69-L71 HydrophobicContact CD2-CD2 4.04Å; F69-L71 HydrophobicContact CD2-CG 3.88Å; F69-L71 HydrophobicContact CE2-CD1 3.94Å; F69-L71 HydrophobicContact CE2-CD2 3.93Å; F69-L71 HydrophobicContact CE2-CG 3.73Å; L71-D73 PolarHBondContact O-N 2.84Å; L71-G74 PolarHBondContact N-O 2.92Å; L71-G74 WeakPolarHBondContact O-CA 3.48Å; L71-G74 PolarHBondContact O-N 3.38Å; L71-K76 HydrophobicContact CD1-CG 4Å; L71-K76 HydrophobicContact CG-CG 4.31Å; L71-R193 HydrophobicContact CD2-CB 4.39Å; L71-M194 HydrophobicContact CD2-CG 3.99Å
72E84.3Confident93.3Very high183 Ų18354.7 Ų54.786%0.85530%0.295SS*.THydrogen-bonded Turntrans-53.8-37.5172.7-65.7168.5-173.200112G74E72-G74 PolarHBondContact O-N 2.76Å
73D84.7Confident93.2Very high126 Ų12655.8 Ų55.867%0.67431%0.305SS*.THydrogen-bonded Turntrans-76.44.3176.7-51.9-33000114L71L71-D73 PolarHBondContact O-N 2.84Å
74G89.6Confident93.1Very high22 Ų2257.7 Ų57.723%0.22732%0.315CS..EExtended strand (participates in β ladder)trans103.8-170.3-178.600000115.3L71 E72 K76L71-G74 PolarHBondContact N-O 2.92Å; L71-G74 WeakPolarHBondContact O-CA 3.48Å; L71-G74 PolarHBondContact O-N 3.38Å; E72-G74 PolarHBondContact O-N 2.76Å; G74-K76 PolarHBondContact O-N 2.91Å
75P92.5Very high93Very high113 Ų11355.3 Ų55.373%0.73430%0.3SS*.EExtended strand (participates in β ladder)trans-68127.4-175.627.2-33.7000111.4
76K93.6Very high93Very high72 Ų7255.6 Ų55.631%0.31330%0.302SS..EExtended strand (participates in β ladder)trans-114.9140.5174.5-59.3-61.6-176.5-174.90110.1S68 F69 L71 G74 Y78S68-K76 WeakPolarHBondContact CA-O 3.42Å; F69-K76 HydrophobicContact CE2-CB 4.38Å; F69-K76 PolarHBondContact N-O 3.29Å; F69-K76 PolarHBondContact O-N 3.15Å; F69-K76 VanDerWaalsContact O-O 3.11Å; L71-K76 HydrophobicContact CD1-CG 4Å; L71-K76 HydrophobicContact CG-CG 4.31Å; G74-K76 PolarHBondContact O-N 2.91Å; K76-Y78 HydrophobicContact CB-CD2 4.42Å; K76-Y78 HydrophobicContact CB-CE2 3.69Å; K76-Y78 HydrophobicContact CG-CE2 4.44Å
77R94.3Very high92.8Very high185 Ų18559.9 Ų59.970%0.69832%0.317SS*.EExtended strand (participates in β ladder)trans-131.1119.6173.8-177.5175.568.4-117.80.6109T66 L67T66-R77 HydrophobicContact CG2-CG 3.85Å; L67-R77 CarbonylContact O-C 3.52Å; L67-R77 WeakPolarHBondContact O-CA 3.36Å
78Y95.1Very high92.8Very high21 Ų2159.9 Ų59.98%0.08232%0.317CS..EExtended strand (participates in β ladder)trans-111.9125.2176.4-61.5-82.4000108.4T66 L67 F69 K76 L204 R205 V208T66-Y78 CarbonylContact C-O 3.54Å; T66-Y78 VanDerWaalsContact CA-O 3.29Å; T66-Y78 WeakPolarHBondContact CA-O 3.45Å; L67-Y78 PolarHBondContact N-O 3.2Å; L67-Y78 PolarHBondContact O-N 3.32Å; F69-Y78 AromaticContact CE1-CD2 3.75Å; F69-Y78 HydrophobicContact CE1-CD2 3.75Å; F69-Y78 AromaticContact CE1-CE2 3.97Å; F69-Y78 HydrophobicContact CE1-CE2 3.97Å; F69-Y78 HydrophobicContact CE2-CE2 4.09Å; F69-Y78 AromaticContact CZ-CD2 3.67Å; F69-Y78 HydrophobicContact CZ-CD2 3.67Å; F69-Y78 AromaticContact CZ-CE2 3.39Å; F69-Y78 HydrophobicContact CZ-CE2 3.39Å; K76-Y78 HydrophobicContact CB-CD2 4.42Å; K76-Y78 HydrophobicContact CB-CE2 3.69Å; K76-Y78 HydrophobicContact CG-CE2 4.44Å; Y78-L204 HydrophobicContact CD1-CB 3.79Å; Y78-L204 WeakPolarHBondContact CD1-O 3.32Å; Y78-L204 HydrophobicContact CD2-CB 4.31Å; Y78-L204 HydrophobicContact CD2-CD1 4.33Å; Y78-L204 HydrophobicContact CE1-CB 4.24Å; Y78-L204 HydrophobicContact CG-CB 3.84Å; Y78-L204 HydrophobicContact CG-CD1 4.42Å; Y78-R205 HydrophobicContact CE1-CG 4.19Å; Y78-V208 HydrophobicContact CD1-CG2 3.57Å; Y78-V208 HydrophobicContact CE1-CG2 4.08Å
79T94.7Very high92.7Very high61 Ų6159 Ų5937%0.37431%0.311SS..EExtended strand (participates in β ladder)trans-120.6129.3176.3-500000107.8L65L65-T79 CarbonylContact O-C 3.5Å; L65-T79 WeakPolarHBondContact O-CA 3.45Å
80I94.9Very high92.7Very high5 Ų559.5 Ų59.53%0.02631%0.314CS..EExtended strand (participates in β ladder)trans-127.5143.9177.765.7176.1000109.8L65 L84 I85 Y88 L204 C207L65-I80 HydrophobicContact CB-CD1 4.33Å; L65-I80 HydrophobicContact CB-CG1 3.8Å; L65-I80 HydrophobicContact CD2-CD1 4.13Å; L65-I80 HydrophobicContact CD2-CG1 4.12Å; L65-I80 HydrophobicContact CG-CG1 4.47Å; L65-I80 PolarHBondContact N-O 2.86Å; L65-I80 PolarHBondContact O-N 2.82Å; I80-L84 HydrophobicContact CB-CB 4.05Å; I80-L84 HydrophobicContact CB-CD1 4.34Å; I80-L84 HydrophobicContact CD1-CB 4.34Å; I80-L84 HydrophobicContact CG2-CD1 4.44Å; I80-I85 HydrophobicContact CG1-CG1 4.49Å; I80-Y88 HydrophobicContact CD1-CD2 4.44Å; I80-Y88 HydrophobicContact CD1-CG 4.02Å; I80-L204 HydrophobicContact CG2-CD2 4.37Å; I80-C207 HydrophobicContact CG2-CB 3.69Å
81G94.4Very high92.9Very high32 Ų3255.7 Ų55.733%0.3329%0.289SS..EExtended strand (participates in β ladder)trans-87.7172.1175.800000113A63 T83 L84 I85A63-G81 CarbonylContact O-C 3.53Å; G81-T83 VanDerWaalsContact C-N 3.25Å; G81-T83 PolarHBondContact O-N 2.98Å; G81-L84 PolarHBondContact O-N 3.31Å; G81-I85 PolarHBondContact O-N 2.92Å
82R94.6Very high93.3Very high42 Ų4254.7 Ų54.716%0.15828%0.284CS..THydrogen-bonded Turntrans-47-35.9-175.6178.655.7178.773.46.6116.5A55 T56 E60 E61 A63 L84 P86A55-R82 VanDerWaalsContact C-NH2 3.33Å; A55-R82 PolarHBondContact O-NH2 3.18Å; T56-R82 VanDerWaalsContact CA-NH2 3.3Å; T56-R82 VanDerWaalsContact N-NH2 3.18Å; T56-R82 PolarHBondContact OG1-NH2 3Å; E60-R82 WeakPolarHBondContact O-CD 3.34Å; E60-R82 WeakPolarHBondContact O-CG 3.41Å; E60-R82 PolarHBondContact O-NE 3.02Å; E61-R82 VanDerWaalsContact O-CB 3.24Å; E61-R82 WeakPolarHBondContact O-CB 3.46Å; E61-R82 WeakPolarHBondContact O-CG 3.2Å; A63-R82 PolarHBondContact O-N 3.06Å; R82-L84 PolarHBondContact O-N 2.61Å; R82-P86 VanDerWaalsContact O-CD 3.32Å; R82-P86 WeakPolarHBondContact O-CD 3.27Å
83T93.3Very high93.6Very high116 Ų11646.6 Ų46.671%0.71225%0.246SC*.THydrogen-bonded Turntrans-70.6-20.2-179.554.40000113.6G81G81-T83 VanDerWaalsContact C-N 3.25Å; G81-T83 PolarHBondContact O-N 2.98Å
84L94.1Very high93.9Very high41 Ų4144.7 Ų44.722%0.21523%0.233CC..THydrogen-bonded Turntrans-102.3-14.8-178.5-64.5176.6000112.4I80 G81 R82 R87 Y88 Y203 C207I80-L84 HydrophobicContact CB-CB 4.05Å; I80-L84 HydrophobicContact CB-CD1 4.34Å; I80-L84 HydrophobicContact CD1-CB 4.34Å; I80-L84 HydrophobicContact CG2-CD1 4.44Å; G81-L84 PolarHBondContact O-N 3.31Å; R82-L84 PolarHBondContact O-N 2.61Å; L84-R87 PolarHBondContact O-N 2.86Å; L84-Y88 PolarHBondContact O-N 2.68Å; L84-Y203 WeakPolarHBondContact CB-OH 3.49Å; L84-Y203 PolarHBondContact O-OH 3.2Å; L84-Y203 VanDerWaalsContact O-OH 3.04Å; L84-C207 HydrophobicContact CD1-CB 4.07Å
85I95.9Very high93.7Very high0 Ų044.8 Ų44.80%023%0.234CC..Hα-helixtrans-57.2-48.4178.5-62.8179.8000113F59 A63 L65 I80 G81 R87 Y88 F89F59-I85 HydrophobicContact CD1-CD1 3.75Å; F59-I85 HydrophobicContact CD1-CG2 4.33Å; F59-I85 HydrophobicContact CD2-CG2 4.02Å; F59-I85 HydrophobicContact CE1-CD1 4.16Å; F59-I85 HydrophobicContact CE1-CG2 4.21Å; F59-I85 HydrophobicContact CE2-CG2 3.9Å; F59-I85 HydrophobicContact CG-CD1 4.18Å; F59-I85 HydrophobicContact CG-CG2 4.24Å; F59-I85 HydrophobicContact CZ-CG2 4Å; A63-I85 HydrophobicContact CB-CD1 4.09Å; L65-I85 HydrophobicContact CB-CD1 4.16Å; L65-I85 HydrophobicContact CB-CG1 4.07Å; L65-I85 HydrophobicContact CD1-CG2 4.38Å; I80-I85 HydrophobicContact CG1-CG1 4.49Å; G81-I85 PolarHBondContact O-N 2.92Å; I85-R87 VanDerWaalsContact C-N 3.26Å; I85-R87 PolarHBondContact O-N 3.27Å; I85-Y88 WeakPolarHBondContact O-CB 3.35Å; I85-Y88 PolarHBondContact O-N 3.44Å; I85-F89 HydrophobicContact CG2-CD2 3.93Å; I85-F89 HydrophobicContact CG2-CE2 3.67Å; I85-F89 WeakPolarHBondContact O-CD2 3.41Å; I85-F89 PolarHBondContact O-N 3.35Å
86P95.7Very high93.6Very high6 Ų641.4 Ų41.44%0.03922%0.219CC..Hα-helixtrans-54-46177.6-22.428.3000112W51 D52 A55 R82 F89 S90W51-P86 HydrophobicContact CB-CB 3.84Å; D52-P86 VanDerWaalsContact OD1-CG 3.26Å; D52-P86 WeakPolarHBondContact OD1-CG 3.29Å; A55-P86 HydrophobicContact CB-CB 4.38Å; A55-P86 HydrophobicContact CB-CG 3.63Å; R82-P86 VanDerWaalsContact O-CD 3.32Å; R82-P86 WeakPolarHBondContact O-CD 3.27Å; P86-F89 PolarHBondContact O-N 2.96Å; P86-S90 PolarHBondContact O-N 2.9Å; P86-S90 VanDerWaalsContact O-N 3.1Å
87R94.5Very high93.5Very high104 Ų10438.1 Ų38.139%0.39221%0.205SC..Hα-helixtrans-69.4-36.1-178.2-175.667.5-173.3151.111.9111.9L84 I85 F89 S90 T91 E94 Y203L84-R87 PolarHBondContact O-N 2.86Å; I85-R87 VanDerWaalsContact C-N 3.26Å; I85-R87 PolarHBondContact O-N 3.27Å; R87-F89 PolarHBondContact O-N 2.82Å; R87-S90 PolarHBondContact NH1-OG 2.82Å; R87-S90 WeakPolarHBondContact O-CB 3.42Å; R87-S90 PolarHBondContact O-N 3.36Å; R87-T91 HydrophobicContact CG-CG2 4.22Å; R87-T91 WeakPolarHBondContact O-CG2 3.42Å; R87-T91 PolarHBondContact O-N 3.47Å; R87-E94 IonicContact CZ-OE1 3.53Å; R87-E94 VanDerWaalsContact CZ-OE1 3.28Å; R87-E94 IonicContact CZ-OE2 2.83Å; R87-E94 IonicContact NH1-OE1 2.71Å; R87-E94 PolarHBondContact NH1-OE1 3.35Å; R87-E94 IonicContact NH1-OE2 3.51Å; R87-E94 IonicContact NH2-OE1 3.42Å; R87-E94 PolarHBondContact NH2-OE1 2.94Å; R87-E94 IonicContact NH2-OE2 3.6Å; R87-E94 PolarHBondContact NH2-OE2 3.08Å; R87-Y203 HydrophobicContact CB-CE2 4.19Å; R87-Y203 WeakPolarHBondContact CB-OH 3.32Å; R87-Y203 HydrophobicContact CG-CD2 4.2Å; R87-Y203 HydrophobicContact CG-CE1 4.46Å; R87-Y203 HydrophobicContact CG-CE2 3.4Å; R87-Y203 VanDerWaalsContact CG-CE2 3.4Å
88Y95.5Very high93.4Very high0 Ų031.9 Ų31.90%019%0.188CC..Hα-helixtrans-54-52.9172.3166.1-102.2000111.5L65 L67 I80 L84 I85 S90 T91 V92 T200 L204L65-Y88 HydrophobicContact CD1-CD1 3.65Å; L65-Y88 HydrophobicContact CD1-CE1 3.83Å; L65-Y88 HydrophobicContact CD1-CG 4.43Å; L65-Y88 HydrophobicContact CD2-CD1 4.39Å; L65-Y88 HydrophobicContact CD2-CE1 4.32Å; L67-Y88 HydrophobicContact CD1-CD2 4.4Å; L67-Y88 HydrophobicContact CD1-CE2 3.48Å; L67-Y88 VanDerWaalsContact CD1-CE2 3.48Å; I80-Y88 HydrophobicContact CD1-CD2 4.44Å; I80-Y88 HydrophobicContact CD1-CG 4.02Å; L84-Y88 PolarHBondContact O-N 2.68Å; I85-Y88 WeakPolarHBondContact O-CB 3.35Å; I85-Y88 PolarHBondContact O-N 3.44Å; Y88-S90 PolarHBondContact O-N 3.14Å; Y88-T91 PolarHBondContact O-N 3.08Å; Y88-T91 VanDerWaalsContact O-N 3.16Å; Y88-T91 PolarHBondContact O-OG1 2.87Å; Y88-V92 HydrophobicContact CE2-CG2 4.48Å; Y88-V92 PolarHBondContact O-N 3.14Å; Y88-T200 HydrophobicContact CD2-CG2 4.14Å; Y88-T200 HydrophobicContact CE2-CG2 3.68Å; Y88-L204 HydrophobicContact CD2-CD2 4.07Å; Y88-L204 HydrophobicContact CE2-CD2 4.37Å
89F95.5Very high93.3Very high0 Ų035.2 Ų35.20%020%0.204CC..Hα-helixtrans-63.8-42.8179.7-73.4-78.2000111.8W51 F54 F59 L65 I85 P86 R87 T91 V92 F93 L100 Y102W51-F89 HydrophobicContact CE3-CB 3.7Å; W51-F89 HydrophobicContact CH2-CB 4.15Å; W51-F89 HydrophobicContact CZ3-CB 3.38Å; W51-F89 HydrophobicContact CZ3-CG 4.42Å; F54-F89 HydrophobicContact CD1-CD2 4.38Å; F54-F89 HydrophobicContact CE1-CD1 4.41Å; F54-F89 AromaticContact CE1-CD2 3.62Å; F54-F89 HydrophobicContact CE1-CD2 3.62Å; F54-F89 AromaticContact CE1-CE2 3.76Å; F54-F89 HydrophobicContact CE1-CE2 3.76Å; F54-F89 AromaticContact CE1-CG 3.97Å; F54-F89 HydrophobicContact CE1-CG 3.97Å; F54-F89 HydrophobicContact CE1-CZ 4.23Å; F54-F89 HydrophobicContact CZ-CD2 4.5Å; F54-F89 HydrophobicContact CZ-CE2 4.42Å; F54-F89 HydrophobicContact CZ-CZ 4.45Å; F59-F89 AromaticContact CE2-CE2 3.77Å; F59-F89 HydrophobicContact CE2-CE2 3.77Å; F59-F89 HydrophobicContact CE2-CZ 4.25Å; F59-F89 AromaticContact CZ-CE2 3.71Å; F59-F89 HydrophobicContact CZ-CE2 3.71Å; F59-F89 AromaticContact CZ-CZ 3.95Å; F59-F89 HydrophobicContact CZ-CZ 3.95Å; L65-F89 HydrophobicContact CD1-CE2 4.18Å; L65-F89 HydrophobicContact CD1-CZ 4.37Å; I85-F89 HydrophobicContact CG2-CD2 3.93Å; I85-F89 HydrophobicContact CG2-CE2 3.67Å; I85-F89 WeakPolarHBondContact O-CD2 3.41Å; I85-F89 PolarHBondContact O-N 3.35Å; P86-F89 PolarHBondContact O-N 2.96Å; R87-F89 PolarHBondContact O-N 2.82Å; F89-T91 VanDerWaalsContact C-N 3.26Å; F89-T91 PolarHBondContact O-N 3.09Å; F89-V92 WeakPolarHBondContact O-CB 3.33Å; F89-V92 PolarHBondContact O-N 3.36Å; F89-V92 VanDerWaalsContact O-N 3.08Å; F89-F93 VanDerWaalsContact O-CD2 3.32Å; F89-F93 WeakPolarHBondContact O-CD2 3.46Å; F89-L100 HydrophobicContact CD1-CD2 4.02Å; F89-L100 HydrophobicContact CE1-CD2 4.36Å; F89-Y102 HydrophobicContact CE1-CE2 4.36Å
90S93.9Very high93.4Very high15 Ų1532.4 Ų32.411%0.10519%0.187CC..Hα-helixtrans-52.9-43.9172.7-170.30000112.4W51 P86 R87 Y88 V92 F93 E94W51-S90 PolarHBondContact NE1-OG 3.13Å; P86-S90 PolarHBondContact O-N 2.9Å; P86-S90 VanDerWaalsContact O-N 3.1Å; R87-S90 PolarHBondContact NH1-OG 2.82Å; R87-S90 WeakPolarHBondContact O-CB 3.42Å; R87-S90 PolarHBondContact O-N 3.36Å; Y88-S90 PolarHBondContact O-N 3.14Å; S90-V92 PolarHBondContact O-N 2.87Å; S90-F93 PolarHBondContact O-N 3.17Å; S90-F93 VanDerWaalsContact O-N 3.14Å; S90-E94 PolarHBondContact O-N 3.44Å; S90-E94 PolarHBondContact OG-OE1 3.38Å
91T93.9Very high93.4Very high0 Ų034.1 Ų34.10%020%0.195CC..Hα-helixtrans-65.6-25.8-178.568.60000113.5R87 Y88 F89 G95 F199 T200 Y203R87-T91 HydrophobicContact CG-CG2 4.22Å; R87-T91 WeakPolarHBondContact O-CG2 3.42Å; R87-T91 PolarHBondContact O-N 3.47Å; Y88-T91 PolarHBondContact O-N 3.08Å; Y88-T91 VanDerWaalsContact O-N 3.16Å; Y88-T91 PolarHBondContact O-OG1 2.87Å; F89-T91 VanDerWaalsContact C-N 3.26Å; F89-T91 PolarHBondContact O-N 3.09Å; T91-G95 PolarHBondContact O-N 3.26Å; T91-F199 HydrophobicContact CG2-CD1 4.19Å; T91-F199 HydrophobicContact CG2-CE1 3.72Å; T91-F199 WeakPolarHBondContact O-CD1 3.37Å; T91-T200 PolarHBondContact O-OG1 3.01Å; T91-Y203 HydrophobicContact CG2-CD1 3.89Å; T91-Y203 HydrophobicContact CG2-CD2 3.87Å; T91-Y203 HydrophobicContact CG2-CE1 4.45Å; T91-Y203 HydrophobicContact CG2-CE2 4.44Å; T91-Y203 HydrophobicContact CG2-CG 3.57Å
92V93.6Very high93.6Very high5 Ų532.9 Ų32.93%0.0318%0.18CC..Hα-helixtrans-64.9-45.2174.11780000110.1Y88 F89 S90 G95 V97 L100 T127 T200Y88-V92 HydrophobicContact CE2-CG2 4.48Å; Y88-V92 PolarHBondContact O-N 3.14Å; F89-V92 WeakPolarHBondContact O-CB 3.33Å; F89-V92 PolarHBondContact O-N 3.36Å; F89-V92 VanDerWaalsContact O-N 3.08Å; S90-V92 PolarHBondContact O-N 2.87Å; V92-G95 PolarHBondContact O-N 3.44Å; V92-V97 HydrophobicContact CG1-CB 4.33Å; V92-V97 HydrophobicContact CG1-CG1 4.38Å; V92-V97 HydrophobicContact CG1-CG2 4.13Å; V92-V97 WeakPolarHBondContact O-CB 3.48Å; V92-V97 VanDerWaalsContact O-CG2 3.29Å; V92-V97 WeakPolarHBondContact O-CG2 3.42Å; V92-L100 HydrophobicContact CG1-CD2 4.33Å; V92-T127 HydrophobicContact CG1-CG2 4.15Å; V92-T200 HydrophobicContact CG2-CG2 4.17Å
93F92.4Very high93.6Very high13 Ų1334 Ų346%0.05719%0.189CC..Hα-helixtrans-71.9-36.5179.1-68.5-90.5000112.7L39 R42 W51 F89 S90 G95 G96 V97 L100L39-F93 HydrophobicContact CD2-CE2 4.21Å; L39-F93 HydrophobicContact CD2-CZ 4.34Å; R42-F93 VanDerWaalsContact NE-CD1 3.32Å; W51-F93 AromaticContact CH2-CD2 3.45Å; W51-F93 HydrophobicContact CH2-CD2 3.45Å; W51-F93 VanDerWaalsContact CH2-CD2 3.45Å; W51-F93 AromaticContact CH2-CE2 3.46Å; W51-F93 HydrophobicContact CH2-CE2 3.46Å; W51-F93 VanDerWaalsContact CH2-CE2 3.46Å; W51-F93 HydrophobicContact CH2-CG 4.42Å; W51-F93 HydrophobicContact CH2-CZ 4.4Å; W51-F93 AromaticContact CZ2-CD2 3.78Å; W51-F93 HydrophobicContact CZ2-CD2 3.78Å; W51-F93 HydrophobicContact CZ2-CE2 4.23Å; W51-F93 HydrophobicContact CZ2-CG 4.43Å; W51-F93 HydrophobicContact CZ3-CE2 4.36Å; F89-F93 VanDerWaalsContact O-CD2 3.32Å; F89-F93 WeakPolarHBondContact O-CD2 3.46Å; S90-F93 PolarHBondContact O-N 3.17Å; S90-F93 VanDerWaalsContact O-N 3.14Å; F93-G95 PolarHBondContact O-N 3.17Å; F93-G96 PolarHBondContact O-N 2.81Å; F93-V97 HydrophobicContact CD1-CG1 4.49Å; F93-V97 VanDerWaalsContact CD1-O 3.22Å; F93-V97 WeakPolarHBondContact CD1-O 3.25Å; F93-V97 PolarHBondContact O-N 3.42Å; F93-L100 HydrophobicContact CE1-CB 4.4Å; F93-L100 HydrophobicContact CE2-CB 4.18Å; F93-L100 HydrophobicContact CE2-CD2 4.13Å; F93-L100 HydrophobicContact CZ-CB 3.69Å; F93-L100 HydrophobicContact CZ-CD2 4.44Å
94E91.1Very high93.7Very high86 Ų8630.1 Ų30.140%0.40216%0.163SC..Hα-helixtrans-60.8-22.8172.4-74.2167.8-135.300112.8R87 S90 G96 F199R87-E94 IonicContact CZ-OE1 3.53Å; R87-E94 VanDerWaalsContact CZ-OE1 3.28Å; R87-E94 IonicContact CZ-OE2 2.83Å; R87-E94 IonicContact NH1-OE1 2.71Å; R87-E94 PolarHBondContact NH1-OE1 3.35Å; R87-E94 IonicContact NH1-OE2 3.51Å; R87-E94 IonicContact NH2-OE1 3.42Å; R87-E94 PolarHBondContact NH2-OE1 2.94Å; R87-E94 IonicContact NH2-OE2 3.6Å; R87-E94 PolarHBondContact NH2-OE2 3.08Å; S90-E94 PolarHBondContact O-N 3.44Å; S90-E94 PolarHBondContact OG-OE1 3.38Å; E94-G96 PolarHBondContact O-N 2.96Å; E94-G96 VanDerWaalsContact O-N 3.15Å; E94-F199 HydrophobicContact CB-CD1 3.83Å; E94-F199 HydrophobicContact CB-CE1 3.57Å; E94-F199 HydrophobicContact CB-CZ 4.08Å; E94-F199 HydrophobicContact CG-CE1 4.3Å; E94-F199 WeakPolarHBondContact OE2-CE1 3.4Å; E94-F199 WeakPolarHBondContact OE2-CZ 3.24Å
95G85.3Confident93.7Very high23 Ų2333.5 Ų33.524%0.23718%0.176CC..THydrogen-bonded Turntrans-7311171.200000115.1T91 V92 F93T91-G95 PolarHBondContact O-N 3.26Å; V92-G95 PolarHBondContact O-N 3.44Å; F93-G95 PolarHBondContact O-N 3.17Å
96G88.5Confident93.5Very high42 Ų4241.3 Ų41.343%0.43321%0.212SC..THydrogen-bonded Turntrans84.418.9-179.800000114.1F93 E94 H129 G130F93-G96 PolarHBondContact O-N 2.81Å; E94-G96 PolarHBondContact O-N 2.96Å; E94-G96 VanDerWaalsContact O-N 3.15Å; G96-H129 WeakPolarHBondContact O-CA 3.49Å; G96-G130 PolarHBondContact O-N 2.93Å
97V92.3Very high93.3Very high4 Ų442 Ų422%0.02422%0.217CC..EExtended strand (participates in β ladder)trans-85.3130.8175.3176.70000109.2V92 F93 E99 T127 Q128 T197V92-V97 HydrophobicContact CG1-CB 4.33Å; V92-V97 HydrophobicContact CG1-CG1 4.38Å; V92-V97 HydrophobicContact CG1-CG2 4.13Å; V92-V97 WeakPolarHBondContact O-CB 3.48Å; V92-V97 VanDerWaalsContact O-CG2 3.29Å; V92-V97 WeakPolarHBondContact O-CG2 3.42Å; F93-V97 HydrophobicContact CD1-CG1 4.49Å; F93-V97 VanDerWaalsContact CD1-O 3.22Å; F93-V97 WeakPolarHBondContact CD1-O 3.25Å; F93-V97 PolarHBondContact O-N 3.42Å; V97-E99 WeakPolarHBondContact CG1-O 3.45Å; V97-T127 HydrophobicContact CG1-CG2 3.97Å; V97-T127 HydrophobicContact CG2-CG2 4.33Å; V97-Q128 CarbonylContact C-O 3.59Å; V97-Q128 WeakPolarHBondContact CA-O 3.44Å; V97-Q128 WeakPolarHBondContact CG1-O 3.37Å; V97-T197 HydrophobicContact CG2-CG2 4.39Å
98T92Very high93.2Very high53 Ų5344.2 Ų44.233%0.32523%0.23SC..EExtended strand (participates in β ladder)trans-95.3-35.8176.656.20000112Q128T98-Q128 PolarHBondContact N-O 3.22Å; T98-Q128 PolarHBondContact OG1-O 3.13Å
99E93.4Very high93.1Very high92 Ų9247 Ų4743%0.4324%0.243SC..EExtended strand (participates in β ladder)trans-134.1141.7-179.1-59.4-174.5-177.800111.4V97 T127 Q128V97-E99 WeakPolarHBondContact CG1-O 3.45Å; E99-T127 VanDerWaalsContact O-CA 3.32Å; E99-T127 WeakPolarHBondContact O-CA 3.29Å; E99-Q128 HydrophobicContact CB-CB 4.13Å; E99-Q128 PolarHBondContact O-N 2.94Å
100L95.8Very high92.9Very high2 Ų249.9 Ų49.91%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-136.7130175.6170.366.7000109.2L39 F89 V92 F93 Y102 M125 V126 T127L39-L100 HydrophobicContact CD1-CD2 4.05Å; L39-L100 HydrophobicContact CD1-CG 4.16Å; F89-L100 HydrophobicContact CD1-CD2 4.02Å; F89-L100 HydrophobicContact CE1-CD2 4.36Å; V92-L100 HydrophobicContact CG1-CD2 4.33Å; F93-L100 HydrophobicContact CE1-CB 4.4Å; F93-L100 HydrophobicContact CE2-CB 4.18Å; F93-L100 HydrophobicContact CE2-CD2 4.13Å; F93-L100 HydrophobicContact CZ-CB 3.69Å; F93-L100 HydrophobicContact CZ-CD2 4.44Å; L100-Y102 HydrophobicContact CD1-CE2 4.22Å; L100-Y102 HydrophobicContact CD2-CE2 4.3Å; L100-Y102 HydrophobicContact CG-CE2 4.22Å; L100-M125 HydrophobicContact CD1-CG 3.67Å; L100-M125 HydrophobicContact CD1-SD 4.2Å; L100-V126 WeakPolarHBondContact CA-O 3.29Å; L100-T127 HydrophobicContact CB-CG2 4.45Å; L100-T127 HydrophobicContact CD1-CG2 3.48Å; L100-T127 VanDerWaalsContact CD1-CG2 3.48Å
101H96.5Very high92.8Very high41 Ų4155.1 Ų55.119%0.1928%0.284CS..EExtended strand (participates in β ladder)trans-150.8156.9169.759.7-84.2000111.7N36 V126N36-H101 HydrophobicContact CB-CB 4.16Å; N36-H101 WeakPolarHBondContact OD1-CA 3.43Å; H101-V126 WeakPolarHBondContact CE1-CG1 3.39Å; H101-V126 PolarHBondContact N-O 3.2Å; H101-V126 WeakPolarHBondContact NE2-CB 3.21Å; H101-V126 PolarHBondContact O-N 2.99Å
102Y96.9Very high92.5Very high5 Ų560 Ų602%0.0231%0.306CS..EExtended strand (participates in β ladder)trans-111.5127.8178.5-62.7-89.9000110.4M35 N36 F89 L100 M125 W158M35-Y102 HydrophobicContact CE-CD2 3.63Å; M35-Y102 HydrophobicContact CE-CE2 3.93Å; N36-Y102 PolarHBondContact ND2-O 3.47Å; N36-Y102 PolarHBondContact OD1-N 3.19Å; F89-Y102 HydrophobicContact CE1-CE2 4.36Å; L100-Y102 HydrophobicContact CD1-CE2 4.22Å; L100-Y102 HydrophobicContact CD2-CE2 4.3Å; L100-Y102 HydrophobicContact CG-CE2 4.22Å; Y102-M125 HydrophobicContact CD1-CB 3.8Å; Y102-M125 HydrophobicContact CD1-CG 3.97Å; Y102-M125 HydrophobicContact CE1-CB 3.64Å; Y102-M125 HydrophobicContact CE1-CG 3.43Å; Y102-M125 VanDerWaalsContact CE1-CG 3.43Å; Y102-M125 HydrophobicContact CE1-SD 3.83Å; Y102-W158 HydrophobicContact CD1-CH2 4.19Å; Y102-W158 AromaticContact CD1-CZ2 3.97Å; Y102-W158 HydrophobicContact CD1-CZ2 3.97Å; Y102-W158 AromaticContact CD2-CH2 4Å; Y102-W158 HydrophobicContact CD2-CH2 4Å; Y102-W158 HydrophobicContact CD2-CZ2 4.44Å; Y102-W158 HydrophobicContact CE1-CH2 4.08Å; Y102-W158 AromaticContact CE1-CZ2 3.55Å; Y102-W158 HydrophobicContact CE1-CZ2 3.55Å; Y102-W158 AromaticContact CE2-CH2 3.88Å; Y102-W158 HydrophobicContact CE2-CH2 3.88Å; Y102-W158 HydrophobicContact CE2-CZ2 4.07Å; Y102-W158 HydrophobicContact CG-CH2 4.15Å; Y102-W158 HydrophobicContact CG-CZ2 4.39Å; Y102-W158 AromaticContact CZ-CH2 3.91Å; Y102-W158 AromaticContact CZ-CZ2 3.6Å
103I96.5Very high92Very high66 Ų6667.8 Ų67.834%0.33835%0.348SS..EExtended strand (participates in β ladder)trans-107.8117.5177-54.7176.5000107.8K105 C123 T124 V126I103-K105 HydrophobicContact CG2-CG 4.38Å; I103-C123 CarbonylContact O-C 3.6Å; I103-C123 WeakPolarHBondContact O-CA 3.35Å; I103-T124 PolarHBondContact N-O 3.31Å; I103-T124 PolarHBondContact O-N 3.46Å; I103-V126 HydrophobicContact CD1-CG2 3.9Å; I103-V126 HydrophobicContact CG1-CG2 4.41Å
104L95.3Very high91.8Very high34 Ų3471.6 Ų71.618%0.17838%0.376CS..EExtended strand (participates in β ladder)trans-98.7125.5175.2-56.2174.6000108.8I32 L118 C120 C123 L143I32-L104 HydrophobicContact CB-CD1 4.02Å; I32-L104 HydrophobicContact CG1-CD1 3.95Å; I32-L104 HydrophobicContact CG2-CD1 3.92Å; I32-L104 HydrophobicContact CG2-CG 4.36Å; L104-L118 HydrophobicContact CD1-CD1 4.13Å; L104-L118 HydrophobicContact CD1-CD2 4.05Å; L104-C120 HydrophobicContact CD2-CB 3.84Å; L104-C123 HydrophobicContact CD2-CB 3.97Å; L104-L143 HydrophobicContact CD2-CB 4.47Å; L104-L143 HydrophobicContact CD2-CD2 3.69Å
105K93.9Very high91.8Very high113 Ų11368.7 Ų68.749%0.49137%0.365SS..EExtended strand (participates in β ladder)trans-115.8132172.3-66.6-176.8178.9178.50109.6I103 S107 C120 Q122I103-K105 HydrophobicContact CG2-CG 4.38Å; K105-S107 VanDerWaalsContact C-N 3.33Å; K105-S107 PolarHBondContact O-N 3.5Å; K105-C120 PolarHBondContact N-SG 3.03Å; K105-C120 PolarHBondContact O-SG 3.21Å; K105-Q122 HydrophobicContact CB-CB 4.06Å; K105-Q122 PolarHBondContact N-O 3.15Å
106H90.4Very high92.2Very high163 Ų16367.8 Ų67.876%0.75536%0.355SS*.SBendtrans52.247.5176.5-53.3-60.6000113.2
107S91.7Very high92.5Very high21 Ų2166.8 Ų66.815%0.14734%0.34CS..  trans-60.8141.9175.2-14.50000110.7E29 K105E29-S107 WeakPolarHBondContact OE1-CB 3.33Å; E29-S107 PolarHBondContact OE1-OG 3.18Å; K105-S107 VanDerWaalsContact C-N 3.33Å; K105-S107 PolarHBondContact O-N 3.5Å
108K93.3Very high92.7Very high151 Ų15166.6 Ų66.666%0.65734%0.339SS*.EExtended strand (participates in β ladder)trans-107.2124.6170.4-63.9178.9-176.9175.30108.6D119K108-D119 PolarHBondContact N-O 3.48Å; K108-D119 PolarHBondContact O-N 3.18Å
109E93.1Very high92.9Very high58 Ų5866 Ų6627%0.27133%0.334SS..EExtended strand (participates in β ladder)trans-100135.4177.4-60.8-178.4173.700109.8P28 F111 T117P28-E109 WeakPolarHBondContact CD-OE1 3.46Å; P28-E109 HydrophobicContact CG-CG 4.43Å; E109-F111 HydrophobicContact CB-CE2 4.12Å; E109-F111 HydrophobicContact CB-CZ 4.49Å; E109-T117 CarbonylContact C-O 3.59Å; E109-T117 WeakPolarHBondContact CA-O 3.49Å
110S91.6Very high93.1Very high60 Ų6061.7 Ų61.742%0.4231%0.314SS..EExtended strand (participates in β ladder)trans-129.7125.9175.1-62.80000109.4T117S110-T117 PolarHBondContact N-O 2.81Å; S110-T117 PolarHBondContact O-N 2.85Å
111F91.6Very high93.1Very high126 Ų12665.1 Ų65.155%0.55333%0.333SS*.EExtended strand (participates in β ladder)trans-99.7122.5-177.7-64-92.5000109.7E109 I116E109-F111 HydrophobicContact CB-CE2 4.12Å; E109-F111 HydrophobicContact CB-CZ 4.49Å; F111-I116 HydrophobicContact CD1-CD1 4.06Å; F111-I116 HydrophobicContact CD1-CG1 3.78Å; F111-I116 HydrophobicContact CD1-CG2 4.06Å; F111-I116 HydrophobicContact CE1-CD1 3.81Å; F111-I116 HydrophobicContact CE1-CG1 3.99Å; F111-I116 HydrophobicContact CE1-CG2 3.92Å; F111-I116 HydrophobicContact CZ-CG2 4.38Å
112H87.9Confident93Very high101 Ų10168.2 Ų68.247%0.46835%0.347SS..  trans-109.6169170.4-57.887.6000109.3S114 C115 T117H112-S114 PolarHBondContact O-N 3.28Å; H112-S114 VanDerWaalsContact O-N 3.13Å; H112-C115 CarbonylContact C-O 3.56Å; H112-C115 WeakPolarHBondContact CA-O 3.49Å; H112-C115 WeakPolarHBondContact CB-O 3.47Å; H112-C115 PolarHBondContact N-O 3.27Å; H112-T117 PolarHBondContact CE1-OG1 3.39Å; H112-T117 PolarHBondContact ND1-OG1 3.04Å
113N82.6Confident93Very high169 Ų16968 Ų6890%0.90435%0.346SS*.SBendtrans-60.1-27.2-175.4-71.8-20.6000114.2
114S88.6Confident93.1Very high93 Ų9365.7 Ų65.765%0.6534%0.335SS*.SBendtrans-130.8-0.9-175.761.50000114.3H112 F149H112-S114 PolarHBondContact O-N 3.28Å; H112-S114 VanDerWaalsContact O-N 3.13Å; S114-F149 VanDerWaalsContact C-CB 3.48Å; S114-F149 PolarHBondContact O-N 2.9Å
115C91.6Very high93.2Very high25 Ų2564.2 Ų64.217%0.16933%0.327CS..EExtended strand (participates in β ladder)trans-151.1156.2-179.862.70000111.7H112 F147H112-C115 CarbonylContact C-O 3.56Å; H112-C115 WeakPolarHBondContact CA-O 3.49Å; H112-C115 WeakPolarHBondContact CB-O 3.47Å; H112-C115 PolarHBondContact N-O 3.27Å; C115-F147 CarbonylContact C-O 3.53Å; C115-F147 WeakPolarHBondContact CA-O 3.47Å; C115-F147 VanDerWaalsContact CB-O 3.24Å; C115-F147 WeakPolarHBondContact CB-O 3.29Å
116I93.7Very high93.3Very high4 Ų459 Ų592%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-113.6125.3172.2-53.9168.6000107.4P28 F111 E146 F147 F149 M153P28-I116 HydrophobicContact CG-CB 4.49Å; P28-I116 HydrophobicContact CG-CG2 3.62Å; F111-I116 HydrophobicContact CD1-CD1 4.06Å; F111-I116 HydrophobicContact CD1-CG1 3.78Å; F111-I116 HydrophobicContact CD1-CG2 4.06Å; F111-I116 HydrophobicContact CE1-CD1 3.81Å; F111-I116 HydrophobicContact CE1-CG1 3.99Å; F111-I116 HydrophobicContact CE1-CG2 3.92Å; F111-I116 HydrophobicContact CZ-CG2 4.38Å; I116-E146 CarbonylContact O-C 3.54Å; I116-E146 WeakPolarHBondContact O-CA 3.36Å; I116-F147 HydrophobicContact CB-CB 4.35Å; I116-F147 PolarHBondContact N-O 2.85Å; I116-F147 PolarHBondContact O-N 2.82Å; I116-F149 HydrophobicContact CD1-CD2 3.68Å; I116-F149 HydrophobicContact CD1-CE2 4.1Å; I116-F149 HydrophobicContact CG1-CD2 3.7Å; I116-F149 HydrophobicContact CG1-CE2 4.36Å; I116-M153 HydrophobicContact CD1-CE 3.59Å; I116-M153 HydrophobicContact CD1-SD 4.38Å
117T94.8Very high93.5Very high21 Ų2151.4 Ų51.413%0.12927%0.27CS..EExtended strand (participates in β ladder)trans-100.7124177.5-36.70000108.8E109 S110 H112 I144 L145 E146E109-T117 CarbonylContact C-O 3.59Å; E109-T117 WeakPolarHBondContact CA-O 3.49Å; S110-T117 PolarHBondContact N-O 2.81Å; S110-T117 PolarHBondContact O-N 2.85Å; H112-T117 PolarHBondContact CE1-OG1 3.39Å; H112-T117 PolarHBondContact ND1-OG1 3.04Å; T117-I144 HydrophobicContact CG2-CG2 4.19Å; T117-L145 CarbonylContact C-O 3.6Å; T117-L145 WeakPolarHBondContact CA-O 3.38Å; T117-E146 HydrophobicContact CG2-CG 4.11Å
118L95.8Very high93.6Very high0 Ų053.8 Ų53.80%028%0.279CS..EExtended strand (participates in β ladder)trans-106.7119169.3179.7152.9000108.2P28 E29 L104 C120 I144 L145 F147P28-L118 HydrophobicContact CB-CB 4.34Å; P28-L118 HydrophobicContact CB-CD1 3.78Å; E29-L118 HydrophobicContact CG-CD1 3.91Å; L104-L118 HydrophobicContact CD1-CD1 4.13Å; L104-L118 HydrophobicContact CD1-CD2 4.05Å; L118-C120 HydrophobicContact CD2-CB 3.98Å; L118-I144 CarbonylContact O-C 3.54Å; L118-I144 WeakPolarHBondContact O-CA 3.39Å; L118-L145 HydrophobicContact CB-CB 4.31Å; L118-L145 HydrophobicContact CD2-CD1 4.29Å; L118-L145 PolarHBondContact N-O 2.94Å; L118-L145 PolarHBondContact O-N 2.72Å; L118-F147 HydrophobicContact CB-CE2 4.09Å
119D96.6Very high93.5Very high42 Ų4247.3 Ų47.323%0.22525%0.251CS..EExtended strand (participates in β ladder)trans-115.3110.7176.6-176.310.9000109.4K108 R142K108-D119 PolarHBondContact N-O 3.48Å; K108-D119 PolarHBondContact O-N 3.18Å; D119-R142 IonicContact OD1-CZ 2.97Å; D119-R142 IonicContact OD1-NE 3.63Å; D119-R142 PolarHBondContact OD1-NE 2.93Å; D119-R142 IonicContact OD1-NH2 3.27Å; D119-R142 PolarHBondContact OD1-NH2 3.09Å; D119-R142 IonicContact OD2-CZ 2.77Å; D119-R142 IonicContact OD2-NE 3.82Å; D119-R142 IonicContact OD2-NH2 3.86Å; D119-R142 PolarHBondContact OD2-NH2 3.35Å
120C96.4Very high93.1Very high0 Ų045.2 Ų45.20%025%0.245CC..EExtended strand (participates in β ladder)trans-115.6106.1178.9-178.10000109.3L104 K105 L118 Q122 C123 R142 L143L104-C120 HydrophobicContact CD2-CB 3.84Å; K105-C120 PolarHBondContact N-SG 3.03Å; K105-C120 PolarHBondContact O-SG 3.21Å; L118-C120 HydrophobicContact CD2-CB 3.98Å; C120-Q122 VanDerWaalsContact C-N 3.26Å; C120-Q122 PolarHBondContact O-N 3.02Å; C120-Q122 PolarHBondContact SG-O 3.4Å; C120-C123 HydrophobicContact CB-CB 4.46Å; C120-R142 CarbonylContact O-C 3.52Å; C120-R142 VanDerWaalsContact O-CA 3.29Å; C120-R142 WeakPolarHBondContact O-CA 3.43Å; C120-L143 PolarHBondContact N-O 3.39Å; C120-L143 PolarHBondContact O-N 2.87Å
121D95.8Very high92.4Very high75 Ų7551 Ų5140%0.40126%0.263SS..EExtended strand (participates in β ladder)trans-69.7-26177.7-164.766.4000112.9R163D121-R163 VanDerWaalsContact CG-NH1 3.3Å; D121-R163 IonicContact OD1-CZ 3.8Å; D121-R163 IonicContact OD1-NH1 3.19Å; D121-R163 PolarHBondContact OD1-NH1 3.45Å; D121-R163 IonicContact OD1-NH2 2.66Å; D121-R163 PolarHBondContact OD1-NH2 3.23Å; D121-R163 IonicContact OD2-CZ 2.81Å; D121-R163 IonicContact OD2-NH1 2.86Å; D121-R163 PolarHBondContact OD2-NH1 2.97Å; D121-R163 IonicContact OD2-NH2 3.75Å
122Q95.6Very high91.1Very high105 Ų10550.3 Ų50.349%0.49127%0.271SS..EExtended strand (participates in β ladder)trans-116.364.1-178.3-65.2-174-16.400110.9K105 C120K105-Q122 HydrophobicContact CB-CB 4.06Å; K105-Q122 PolarHBondContact N-O 3.15Å; C120-Q122 VanDerWaalsContact C-N 3.26Å; C120-Q122 PolarHBondContact O-N 3.02Å; C120-Q122 PolarHBondContact SG-O 3.4Å
123C96.9Very high90.1Very high1 Ų147.3 Ų47.31%0.00726%0.257CS..EExtended strand (participates in β ladder)trans-92.2132.6171.6176.60000110.2I103 L104 C120 E140 G141 L143 F160I103-C123 CarbonylContact O-C 3.6Å; I103-C123 WeakPolarHBondContact O-CA 3.35Å; L104-C123 HydrophobicContact CD2-CB 3.97Å; C120-C123 HydrophobicContact CB-CB 4.46Å; C123-E140 WeakPolarHBondContact O-CA 3.1Å; C123-G141 WeakPolarHBondContact CA-O 3.43Å; C123-G141 WeakPolarHBondContact CB-O 3.34Å; C123-G141 PolarHBondContact N-O 2.91Å; C123-G141 PolarHBondContact O-N 2.82Å; C123-G141 VanDerWaalsContact O-O 3.09Å; C123-L143 HydrophobicContact CB-CB 3.53Å; C123-F160 HydrophobicContact CB-CE2 4.17Å
124T97.4Very high90.2Very high18 Ų1843.4 Ų43.411%0.1123%0.233CC..EExtended strand (participates in β ladder)trans-115.5115171.9-47.60000109.3I103 V126 C138 T139 E140I103-T124 PolarHBondContact N-O 3.31Å; I103-T124 PolarHBondContact O-N 3.46Å; T124-V126 HydrophobicContact CG2-CG2 3.74Å; T124-C138 HydrophobicContact CG2-CB 4.05Å; T124-T139 CarbonylContact C-O 3.54Å; T124-T139 WeakPolarHBondContact CA-O 3.32Å; T124-E140 HydrophobicContact CG2-CG 4.14Å
125M97Very high90.3Very high2 Ų239 Ų391%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-83.5119.8164.9179.5-173.385.600108.2L100 Y102 T127 T139 F160 L196L100-M125 HydrophobicContact CD1-CG 3.67Å; L100-M125 HydrophobicContact CD1-SD 4.2Å; Y102-M125 HydrophobicContact CD1-CB 3.8Å; Y102-M125 HydrophobicContact CD1-CG 3.97Å; Y102-M125 HydrophobicContact CE1-CB 3.64Å; Y102-M125 HydrophobicContact CE1-CG 3.43Å; Y102-M125 VanDerWaalsContact CE1-CG 3.43Å; Y102-M125 HydrophobicContact CE1-SD 3.83Å; M125-T127 HydrophobicContact CE-CG2 4.36Å; M125-T139 HydrophobicContact CE-CG2 4.28Å; M125-T139 PolarHBondContact N-O 3.2Å; M125-T139 PolarHBondContact O-N 2.68Å; M125-F160 HydrophobicContact CB-CE1 4.04Å; M125-F160 HydrophobicContact CB-CZ 4.05Å; M125-F160 HydrophobicContact SD-CE1 4.34Å; M125-L196 HydrophobicContact CE-CD2 3.94Å
126V97Very high90.4Very high4 Ų441.8 Ų41.82%0.02421%0.211CC..EExtended strand (participates in β ladder)trans-111.7121.4-177.6179.50000108.9L100 H101 I103 T124 K136 V137L100-V126 WeakPolarHBondContact CA-O 3.29Å; H101-V126 WeakPolarHBondContact CE1-CG1 3.39Å; H101-V126 PolarHBondContact N-O 3.2Å; H101-V126 WeakPolarHBondContact NE2-CB 3.21Å; H101-V126 PolarHBondContact O-N 2.99Å; I103-V126 HydrophobicContact CD1-CG2 3.9Å; I103-V126 HydrophobicContact CG1-CG2 4.41Å; T124-V126 HydrophobicContact CG2-CG2 3.74Å; V126-K136 HydrophobicContact CG1-CD 4.33Å; V126-K136 HydrophobicContact CG1-CG 4.13Å; V126-V137 WeakPolarHBondContact CA-O 3.43Å
127T95.4Very high90.5Very high4 Ų441.6 Ų41.63%0.02521%0.21CC..EExtended strand (participates in β ladder)trans-118.9131174.249.90000110.5V92 V97 E99 L100 M125 V137V92-T127 HydrophobicContact CG1-CG2 4.15Å; V97-T127 HydrophobicContact CG1-CG2 3.97Å; V97-T127 HydrophobicContact CG2-CG2 4.33Å; E99-T127 VanDerWaalsContact O-CA 3.32Å; E99-T127 WeakPolarHBondContact O-CA 3.29Å; L100-T127 HydrophobicContact CB-CG2 4.45Å; L100-T127 HydrophobicContact CD1-CG2 3.48Å; L100-T127 VanDerWaalsContact CD1-CG2 3.48Å; M125-T127 HydrophobicContact CE-CG2 4.36Å; T127-V137 PolarHBondContact N-O 2.87Å; T127-V137 PolarHBondContact O-N 3.24Å
128Q93.1Very high90.6Very high70 Ų7041.5 Ų41.533%0.32721%0.21SC..EExtended strand (participates in β ladder)trans-103.4125.2173-173.5165.4-9.700109.3V97 T98 E99V97-Q128 CarbonylContact C-O 3.59Å; V97-Q128 WeakPolarHBondContact CA-O 3.44Å; V97-Q128 WeakPolarHBondContact CG1-O 3.37Å; T98-Q128 PolarHBondContact N-O 3.22Å; T98-Q128 PolarHBondContact OG1-O 3.13Å; E99-Q128 HydrophobicContact CB-CB 4.13Å; E99-Q128 PolarHBondContact O-N 2.94Å
129H91.4Very high90.7Very high15 Ų1541.5 Ų41.57%0.06921%0.21CC..EExtended strand (participates in β ladder)trans-85.7149.6176.2-69.1-99.9000110.6G96 F134 T135 I191G96-H129 WeakPolarHBondContact O-CA 3.49Å; H129-F134 VanDerWaalsContact O-CA 3.29Å; H129-F134 WeakPolarHBondContact O-CA 3.45Å; H129-T135 WeakPolarHBondContact CB-O 3.38Å; H129-T135 PolarHBondContact CD2-O 3.14Å; H129-T135 PolarHBondContact N-O 3.29Å; H129-I191 HydrophobicContact CB-CD1 4.48Å
130G84.8Confident90.7Very high14 Ų1442.4 Ų42.414%0.14421%0.213CC..  trans-77.3-159.9175.600000113.4G96 F134G96-G130 PolarHBondContact O-N 2.93Å; G130-F134 PolarHBondContact O-N 3.13Å
131K75.6Confident90.7Very high181 Ų18142.5 Ų42.579%0.78721%0.214SC*.THydrogen-bonded Turntrans-59.7145.7173.5-71.9175.8-178.2176.50110.6F134K131-F134 HydrophobicContact CB-CZ 4.36Å; K131-F134 HydrophobicContact CD-CZ 4.12Å; K131-F134 HydrophobicContact CG-CE1 3.84Å; K131-F134 HydrophobicContact CG-CE2 3.68Å; K131-F134 HydrophobicContact CG-CZ 3.2Å
132P64.8Low90.8Very high112 Ų11243.1 Ų43.173%0.72721%0.211SC*.THydrogen-bonded Turncis-92.3-14.57.631.9-29.9000114.7
133M68.4Low90.9Very high38 Ų3838.1 Ų38.119%0.18719%0.188CC..THydrogen-bonded Turntrans-94.1-21.2-164.4-67.7-71.2-70.200114.8T135 I169 I173 L187M133-T135 WeakPolarHBondContact CB-OG1 3.43Å; M133-T135 PolarHBondContact O-N 2.77Å; M133-I169 HydrophobicContact CE-CD1 4.03Å; M133-I173 WeakPolarHBondContact O-CD1 3.27Å; M133-L187 HydrophobicContact CE-CB 4.13Å; M133-L187 HydrophobicContact CE-CD2 3.21Å; M133-L187 HydrophobicContact CE-CG 4.2Å; M133-L187 HydrophobicContact SD-CD2 3.1Å; M133-L187 WeakPolarHBondContact SD-CD2 3.48Å
134F84.2Confident90.9Very high87 Ų8740 Ų4038%0.38220%0.197SC..  trans47.430.4-175.9-60.3-80.4000114H129 G130 K131 P170 I173H129-F134 VanDerWaalsContact O-CA 3.29Å; H129-F134 WeakPolarHBondContact O-CA 3.45Å; G130-F134 PolarHBondContact O-N 3.13Å; K131-F134 HydrophobicContact CB-CZ 4.36Å; K131-F134 HydrophobicContact CD-CZ 4.12Å; K131-F134 HydrophobicContact CG-CE1 3.84Å; K131-F134 HydrophobicContact CG-CE2 3.68Å; K131-F134 HydrophobicContact CG-CZ 3.2Å; F134-P170 HydrophobicContact CB-CG 4.2Å; F134-I173 HydrophobicContact CB-CD1 4.11Å; F134-I173 HydrophobicContact CD2-CD1 3.91Å
135T90.1Very high90.9Very high1 Ų139.1 Ų39.11%0.00619%0.192CC..PPolyproline II helixtrans-69133.1-174.6-56.40000109.7H129 M133 V137 E167 L168 I169 I191H129-T135 WeakPolarHBondContact CB-O 3.38Å; H129-T135 PolarHBondContact CD2-O 3.14Å; H129-T135 PolarHBondContact N-O 3.29Å; M133-T135 WeakPolarHBondContact CB-OG1 3.43Å; M133-T135 PolarHBondContact O-N 2.77Å; T135-V137 HydrophobicContact CG2-CG2 4.18Å; T135-E167 HydrophobicContact CG2-CB 3.94Å; T135-L168 WeakPolarHBondContact CA-O 3.4Å; T135-I169 HydrophobicContact CG2-CG1 4.3Å; T135-I191 HydrophobicContact CG2-CD1 4.27Å
136K94.3Very high90.9Very high84 Ų8442.4 Ų42.437%0.36521%0.207SC..EExtended strand (participates in β ladder)trans-97.2118.9170.9-179.7178.2-174.91730109.1V126 L168V126-K136 HydrophobicContact CG1-CD 4.33Å; V126-K136 HydrophobicContact CG1-CG 4.13Å; K136-L168 HydrophobicContact CB-CB 4.27Å; K136-L168 HydrophobicContact CD-CD1 4.46Å; K136-L168 PolarHBondContact N-O 2.79Å; K136-L168 WeakPolarHBondContact O-CB 3.33Å; K136-L168 PolarHBondContact O-N 2.74Å
137V95.8Very high90.8Very high0 Ų042.2 Ų42.20%021%0.206CC..EExtended strand (participates in β ladder)trans-102.6124.1177.6-1770000108.6V126 T127 T135 Y165 R166 E167 I191 T192V126-V137 WeakPolarHBondContact CA-O 3.43Å; T127-V137 PolarHBondContact N-O 2.87Å; T127-V137 PolarHBondContact O-N 3.24Å; T135-V137 HydrophobicContact CG2-CG2 4.18Å; V137-Y165 HydrophobicContact CG1-CD2 4.5Å; V137-R166 WeakPolarHBondContact CA-O 3.15Å; V137-E167 HydrophobicContact CG1-CG 4.41Å; V137-E167 HydrophobicContact CG2-CG 4.05Å; V137-I191 HydrophobicContact CG2-CD1 4.41Å; V137-T192 HydrophobicContact CG1-CG2 4.39Å; V137-T192 HydrophobicContact CG2-CG2 4.11Å
138C96.9Very high90.7Very high18 Ų1842.9 Ų42.912%0.12221%0.212CC..EExtended strand (participates in β ladder)trans-112.2109.7177.3-66.10000108.6T124 Y165 R166T124-C138 HydrophobicContact CG2-CB 4.05Å; C138-Y165 CarbonylContact O-C 3.51Å; C138-Y165 VanDerWaalsContact O-CA 3.26Å; C138-Y165 WeakPolarHBondContact O-CA 3.24Å; C138-R166 PolarHBondContact N-O 2.84Å; C138-R166 PolarHBondContact O-N 3.34Å
139T96.9Very high90.5Very high0 Ų044.1 Ų44.10%022%0.216CC..EExtended strand (participates in β ladder)trans-104.1113.2-177.6-53.70000109T124 M125 F160 I162 G195T124-T139 CarbonylContact C-O 3.54Å; T124-T139 WeakPolarHBondContact CA-O 3.32Å; M125-T139 HydrophobicContact CE-CG2 4.28Å; M125-T139 PolarHBondContact N-O 3.2Å; M125-T139 PolarHBondContact O-N 2.68Å; T139-F160 HydrophobicContact CG2-CE1 4.13Å; T139-F160 HydrophobicContact CG2-CZ 4.32Å; T139-I162 HydrophobicContact CG2-CB 4.28Å; T139-I162 HydrophobicContact CG2-CD1 3.92Å; T139-I162 HydrophobicContact CG2-CG1 3.92Å; T139-I162 HydrophobicContact CG2-CG2 3.44Å; T139-I162 VanDerWaalsContact CG2-CG2 3.44Å; T139-G195 VanDerWaalsContact OG1-CA 3.27Å; T139-G195 WeakPolarHBondContact OG1-CA 3.31Å; T139-G195 PolarHBondContact OG1-O 3.28Å
140E96.8Very high90.4Very high61 Ų6146.5 Ų46.529%0.28523%0.229SC..EExtended strand (participates in β ladder)trans-102138-174.9-65.1-177.7-179.500111.5C123 T124 R163 Q164C123-E140 WeakPolarHBondContact O-CA 3.1Å; T124-E140 HydrophobicContact CG2-CG 4.14Å; E140-R163 PolarHBondContact O-N 3.45Å; E140-Q164 HydrophobicContact CB-CG 3.93Å; E140-Q164 PolarHBondContact N-O 3.01Å; E140-Q164 PolarHBondContact O-N 3.47Å; E140-Q164 PolarHBondContact OE2-NE2 3.08Å
141G96.3Very high90.4Very high3 Ų354 Ų543%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-173.8-178.2-176.700000113.7C123 T161C123-G141 WeakPolarHBondContact CA-O 3.43Å; C123-G141 WeakPolarHBondContact CB-O 3.34Å; C123-G141 PolarHBondContact N-O 2.91Å; C123-G141 PolarHBondContact O-N 2.82Å; C123-G141 VanDerWaalsContact O-O 3.09Å; G141-T161 CarbonylContact C-O 3.6Å; G141-T161 WeakPolarHBondContact CA-O 3.48Å
142R97.3Very high91.1Very high88 Ų8850.2 Ų50.233%0.33225%0.254SS..EExtended strand (participates in β ladder)trans-93.4125171.8178.6173.7-179.6-158.12.2109.2D119 C120 I144 T161D119-R142 IonicContact OD1-CZ 2.97Å; D119-R142 IonicContact OD1-NE 3.63Å; D119-R142 PolarHBondContact OD1-NE 2.93Å; D119-R142 IonicContact OD1-NH2 3.27Å; D119-R142 PolarHBondContact OD1-NH2 3.09Å; D119-R142 IonicContact OD2-CZ 2.77Å; D119-R142 IonicContact OD2-NE 3.82Å; D119-R142 IonicContact OD2-NH2 3.86Å; D119-R142 PolarHBondContact OD2-NH2 3.35Å; C120-R142 CarbonylContact O-C 3.52Å; C120-R142 VanDerWaalsContact O-CA 3.29Å; C120-R142 WeakPolarHBondContact O-CA 3.43Å; R142-I144 HydrophobicContact CG-CG1 4.16Å; R142-T161 PolarHBondContact N-O 2.99Å; R142-T161 PolarHBondContact O-N 3.2Å
143L97.7Very high92.3Very high0 Ų045.5 Ų45.50%022%0.223CC..EExtended strand (participates in β ladder)trans-109.1122.8173.3-175.770.5000109.3L104 C120 C123 L145 W158 H159 F160L104-L143 HydrophobicContact CD2-CB 4.47Å; L104-L143 HydrophobicContact CD2-CD2 3.69Å; C120-L143 PolarHBondContact N-O 3.39Å; C120-L143 PolarHBondContact O-N 2.87Å; C123-L143 HydrophobicContact CB-CB 3.53Å; L143-L145 HydrophobicContact CD1-CD2 3.9Å; L143-L145 HydrophobicContact CD1-CG 4.48Å; L143-L145 HydrophobicContact CD2-CD1 3.9Å; L143-L145 HydrophobicContact CD2-CD2 3.99Å; L143-L145 HydrophobicContact CD2-CG 3.92Å; L143-L145 HydrophobicContact CG-CD1 4.45Å; L143-L145 HydrophobicContact CG-CD2 3.9Å; L143-L145 HydrophobicContact CG-CG 3.92Å; L143-W158 HydrophobicContact CD1-CD2 4.21Å; L143-W158 HydrophobicContact CD1-CG 4.49Å; L143-W158 HydrophobicContact CD1-CZ2 3.81Å; L143-W158 HydrophobicContact CD2-CH2 4.3Å; L143-W158 HydrophobicContact CD2-CZ2 4.23Å; L143-H159 WeakPolarHBondContact CA-O 3.47Å; L143-F160 HydrophobicContact CB-CD2 4.01Å; L143-F160 HydrophobicContact CD1-CB 3.68Å; L143-F160 HydrophobicContact CD1-CD2 3.94Å; L143-F160 HydrophobicContact CD1-CG 4.15Å
144I97.5Very high93.6Very high40 Ų4045.7 Ų45.721%0.20522%0.221CC..EExtended strand (participates in β ladder)trans-114124.7172.1-52.8174.3000107.2T117 L118 R142 H159T117-I144 HydrophobicContact CG2-CG2 4.19Å; L118-I144 CarbonylContact O-C 3.54Å; L118-I144 WeakPolarHBondContact O-CA 3.39Å; R142-I144 HydrophobicContact CG-CG1 4.16Å; I144-H159 HydrophobicContact CB-CB 4.39Å; I144-H159 PolarHBondContact N-O 3.19Å; I144-H159 PolarHBondContact O-N 3.28Å
145L97.2Very high94.2Very high0 Ų041.7 Ų41.70%020%0.204CC..EExtended strand (participates in β ladder)trans-120.3137177.6-57177.2000109.7I32 T117 L118 L143 F147 I155 T157 W158I32-L145 HydrophobicContact CD1-CD1 3.39Å; I32-L145 HydrophobicContact CG1-CD1 3.79Å; T117-L145 CarbonylContact C-O 3.6Å; T117-L145 WeakPolarHBondContact CA-O 3.38Å; L118-L145 HydrophobicContact CB-CB 4.31Å; L118-L145 HydrophobicContact CD2-CD1 4.29Å; L118-L145 PolarHBondContact N-O 2.94Å; L118-L145 PolarHBondContact O-N 2.72Å; L143-L145 HydrophobicContact CD1-CD2 3.9Å; L143-L145 HydrophobicContact CD1-CG 4.48Å; L143-L145 HydrophobicContact CD2-CD1 3.9Å; L143-L145 HydrophobicContact CD2-CD2 3.99Å; L143-L145 HydrophobicContact CD2-CG 3.92Å; L143-L145 HydrophobicContact CG-CD1 4.45Å; L143-L145 HydrophobicContact CG-CD2 3.9Å; L143-L145 HydrophobicContact CG-CG 3.92Å; L145-F147 HydrophobicContact CB-CD2 4.24Å; L145-F147 HydrophobicContact CB-CE2 3.62Å; L145-F147 HydrophobicContact CB-CZ 4.16Å; L145-F147 HydrophobicContact CD1-CE2 3.89Å; L145-F147 HydrophobicContact CD1-CZ 3.74Å; L145-F147 HydrophobicContact CG-CE2 4.44Å; L145-I155 HydrophobicContact CD2-CG2 4.42Å; L145-T157 CarbonylContact C-O 3.54Å; L145-T157 VanDerWaalsContact CA-O 3.29Å; L145-T157 WeakPolarHBondContact CA-O 3.17Å; L145-W158 HydrophobicContact CD2-CB 4.18Å; L145-W158 HydrophobicContact CD2-CD2 3.67Å; L145-W158 HydrophobicContact CD2-CE3 3.47Å; L145-W158 VanDerWaalsContact CD2-CE3 3.47Å; L145-W158 HydrophobicContact CD2-CG 4.02Å; L145-W158 HydrophobicContact CD2-CZ3 3.99Å
146E96.6Very high94.5Very high70 Ų7045.8 Ų45.833%0.32722%0.221SC..EExtended strand (participates in β ladder)trans-112.5122.8166-64.8-175.1-178.200108.8I116 T117 K156 T157I116-E146 CarbonylContact O-C 3.54Å; I116-E146 WeakPolarHBondContact O-CA 3.36Å; T117-E146 HydrophobicContact CG2-CG 4.11Å; E146-K156 PolarHBondContact O-N 2.85Å; E146-T157 PolarHBondContact N-O 2.97Å; E146-T157 PolarHBondContact O-N 2.83Å
147F95.4Very high94.7Very high1 Ų143.4 Ų43.40%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-102.7145176.1-64.6-90.9000110.4P28 R31 I32 C115 I116 L118 L145 M153 R154 I155P28-F147 HydrophobicContact CB-CD2 4.04Å; P28-F147 HydrophobicContact CB-CE2 3.76Å; P28-F147 HydrophobicContact CB-CZ 4.32Å; R31-F147 HydrophobicContact CB-CE1 4Å; I32-F147 HydrophobicContact CD1-CZ 4.19Å; I32-F147 HydrophobicContact CG1-CZ 4.28Å; C115-F147 CarbonylContact C-O 3.53Å; C115-F147 WeakPolarHBondContact CA-O 3.47Å; C115-F147 VanDerWaalsContact CB-O 3.24Å; C115-F147 WeakPolarHBondContact CB-O 3.29Å; I116-F147 HydrophobicContact CB-CB 4.35Å; I116-F147 PolarHBondContact N-O 2.85Å; I116-F147 PolarHBondContact O-N 2.82Å; L118-F147 HydrophobicContact CB-CE2 4.09Å; L145-F147 HydrophobicContact CB-CD2 4.24Å; L145-F147 HydrophobicContact CB-CE2 3.62Å; L145-F147 HydrophobicContact CB-CZ 4.16Å; L145-F147 HydrophobicContact CD1-CE2 3.89Å; L145-F147 HydrophobicContact CD1-CZ 3.74Å; L145-F147 HydrophobicContact CG-CE2 4.44Å; F147-M153 HydrophobicContact CB-CE 4.49Å; F147-M153 WeakPolarHBondContact CD1-O 3.32Å; F147-R154 CarbonylContact C-O 3.58Å; F147-R154 VanDerWaalsContact CA-O 3.31Å; F147-R154 WeakPolarHBondContact CA-O 3.42Å; F147-I155 HydrophobicContact CD1-CG1 3.83Å; F147-I155 HydrophobicContact CE1-CD1 4.19Å; F147-I155 HydrophobicContact CE1-CG1 3.4Å; F147-I155 VanDerWaalsContact CE1-CG1 3.4Å; F147-I155 HydrophobicContact CZ-CG1 4.08Å
148A93.8Very high94.8Very high17 Ų1743.4 Ų43.414%0.1421%0.214CC..EExtended strand (participates in β ladder)trans-63.3138.8165.400000110E60 D150 R154E60-A148 HydrophobicContact CG-CB 4.26Å; A148-D150 VanDerWaalsContact C-N 3.26Å; A148-D150 PolarHBondContact O-N 3.08Å; A148-D150 VanDerWaalsContact O-N 3.13Å; A148-R154 PolarHBondContact N-O 3Å
149F89.6Confident94.8Very high96 Ų9645.2 Ų45.242%0.42122%0.221SC..SBendtrans-86.469.6173.6-168-108.4000110.1M25 S114 I116M25-F149 HydrophobicContact CE-CE2 4.33Å; M25-F149 HydrophobicContact CE-CZ 4.1Å; M25-F149 HydrophobicContact SD-CE2 3.92Å; M25-F149 HydrophobicContact SD-CZ 4.08Å; S114-F149 VanDerWaalsContact C-CB 3.48Å; S114-F149 PolarHBondContact O-N 2.9Å; I116-F149 HydrophobicContact CD1-CD2 3.68Å; I116-F149 HydrophobicContact CD1-CE2 4.1Å; I116-F149 HydrophobicContact CG1-CD2 3.7Å; I116-F149 HydrophobicContact CG1-CE2 4.36Å
150D88.1Confident94.9Very high66 Ų6645.3 Ų45.335%0.35322%0.221SC..SBendtrans-137.6-179.3177.568.97.4000111.3A148 L152 M153A148-D150 VanDerWaalsContact C-N 3.26Å; A148-D150 PolarHBondContact O-N 3.08Å; A148-D150 VanDerWaalsContact O-N 3.13Å; D150-L152 PolarHBondContact O-N 3.32Å; D150-L152 PolarHBondContact OD1-N 3.27Å; D150-L152 VanDerWaalsContact OD1-N 3.1Å; D150-M153 WeakPolarHBondContact O-CG 3.37Å; D150-M153 PolarHBondContact O-N 3.26Å; D150-M153 PolarHBondContact OD1-N 3.16Å
151D85.9Confident94.9Very high170 Ų17044.6 Ų44.691%0.90922%0.221SC*.SBendtrans-67.9-20.4-177.6-64.4-28000113.2
152L88.4Confident94.9Very high103 Ų10344.8 Ų44.854%0.53922%0.221SC..SBendtrans-91-23.7-177.1-63.7173.8000112.5R31 D150 R154R31-L152 PolarHBondContact NE-O 3.02Å; R31-L152 PolarHBondContact NH2-O 3.46Å; D150-L152 PolarHBondContact O-N 3.32Å; D150-L152 PolarHBondContact OD1-N 3.27Å; D150-L152 VanDerWaalsContact OD1-N 3.1Å; L152-R154 VanDerWaalsContact C-N 3.34Å; L152-R154 HydrophobicContact CB-CG 3.92Å; L152-R154 PolarHBondContact O-N 2.65Å
153M91.6Very high94.8Very high13 Ų1347 Ų476%0.06423%0.229CC..  trans44.158.7-176.6-70.7-16762.400111.8V26 P28 R31 I116 F147 D150V26-M153 HydrophobicContact CB-SD 4.07Å; V26-M153 WeakPolarHBondContact O-CE 3.47Å; P28-M153 HydrophobicContact CB-CE 4.33Å; P28-M153 HydrophobicContact CG-CE 3.83Å; R31-M153 HydrophobicContact CG-CB 3.95Å; R31-M153 PolarHBondContact NE-O 3.2Å; R31-M153 VanDerWaalsContact NE-O 3.14Å; I116-M153 HydrophobicContact CD1-CE 3.59Å; I116-M153 HydrophobicContact CD1-SD 4.38Å; F147-M153 HydrophobicContact CB-CE 4.49Å; F147-M153 WeakPolarHBondContact CD1-O 3.32Å; D150-M153 WeakPolarHBondContact O-CG 3.37Å; D150-M153 PolarHBondContact O-N 3.26Å; D150-M153 PolarHBondContact OD1-N 3.16Å
154R95.4Very high94.6Very high41 Ų4151.4 Ų51.416%0.15525%0.25CC..  trans-84.9150.2176.7-65.8-177.2-62.6177.91110.9E60 F147 A148 L152 K156E60-R154 HydrophobicContact CG-CB 3.92Å; E60-R154 IonicContact OE1-CZ 2.79Å; E60-R154 IonicContact OE1-NE 2.85Å; E60-R154 PolarHBondContact OE1-NE 2.8Å; E60-R154 IonicContact OE1-NH2 3.6Å; E60-R154 PolarHBondContact OE1-NH2 2.86Å; E60-R154 IonicContact OE2-CZ 3.79Å; E60-R154 IonicContact OE2-NE 2.77Å; E60-R154 IonicContact OE2-NH2 3.12Å; E60-R154 PolarHBondContact OE2-NH2 2.83Å; F147-R154 CarbonylContact C-O 3.58Å; F147-R154 VanDerWaalsContact CA-O 3.31Å; F147-R154 WeakPolarHBondContact CA-O 3.42Å; A148-R154 PolarHBondContact N-O 3Å; L152-R154 VanDerWaalsContact C-N 3.34Å; L152-R154 HydrophobicContact CB-CG 3.92Å; L152-R154 PolarHBondContact O-N 2.65Å; R154-K156 PolarHBondContact O-N 3.17Å
155I97.1Very high94.6Very high4 Ų452.2 Ų52.22%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-78.4119.7-178.9-57.9168.3000108.6I32 M35 F58 F59 E60 A63 L145 F147 T157 W158I32-I155 HydrophobicContact CD1-CD1 4.15Å; M35-I155 HydrophobicContact SD-CD1 4.43Å; F58-I155 WeakPolarHBondContact O-CB 3.31Å; F58-I155 WeakPolarHBondContact O-CG1 3.39Å; F58-I155 PolarHBondContact O-N 3.01Å; F59-I155 WeakPolarHBondContact CA-O 3.22Å; F59-I155 HydrophobicContact CD1-CB 3.93Å; F59-I155 HydrophobicContact CD1-CG2 4.07Å; F59-I155 HydrophobicContact CE1-CB 4.15Å; F59-I155 HydrophobicContact CE1-CD1 4.34Å; F59-I155 HydrophobicContact CE1-CG2 4.01Å; F59-I155 HydrophobicContact CZ-CD1 4.33Å; E60-I155 PolarHBondContact N-O 3.14Å; A63-I155 WeakPolarHBondContact CB-O 3.27Å; L145-I155 HydrophobicContact CD2-CG2 4.42Å; F147-I155 HydrophobicContact CD1-CG1 3.83Å; F147-I155 HydrophobicContact CE1-CD1 4.19Å; F147-I155 HydrophobicContact CE1-CG1 3.4Å; F147-I155 VanDerWaalsContact CE1-CG1 3.4Å; F147-I155 HydrophobicContact CZ-CG1 4.08Å; I155-T157 WeakPolarHBondContact CG2-O 3.41Å; I155-W158 HydrophobicContact CD1-CE3 3.87Å; I155-W158 HydrophobicContact CD1-CZ3 3.96Å; I155-W158 HydrophobicContact CG2-CB 4.21Å; I155-W158 HydrophobicContact CG2-CE3 4.46Å
156K96.4Very high94.4Very high86 Ų8659 Ų5937%0.37428%0.277SS..EExtended strand (participates in β ladder)trans-89.7-42.7172.7-172.6176-173.8171.20111.7D62 A63 T64 E146 R154D62-K156 VanDerWaalsContact OD2-CE 3.24Å; D62-K156 WeakPolarHBondContact OD2-CE 3.39Å; D62-K156 IonicContact OD2-NZ 2.69Å; A63-K156 CarbonylContact C-O 3.5Å; A63-K156 WeakPolarHBondContact CA-O 3.29Å; T64-K156 PolarHBondContact N-O 3.27Å; E146-K156 PolarHBondContact O-N 2.85Å; R154-K156 PolarHBondContact O-N 3.17Å
157T97.4Very high94.3Very high35 Ų3557.6 Ų57.622%0.21527%0.27CS..EExtended strand (participates in β ladder)trans-131128179.1-57.20000109.4L145 E146 I155L145-T157 CarbonylContact C-O 3.54Å; L145-T157 VanDerWaalsContact CA-O 3.29Å; L145-T157 WeakPolarHBondContact CA-O 3.17Å; E146-T157 PolarHBondContact N-O 2.97Å; E146-T157 PolarHBondContact O-N 2.83Å; I155-T157 WeakPolarHBondContact CG2-O 3.41Å
158W97.9Very high94.2Very high0 Ų061.8 Ų61.80%029%0.292CS..EExtended strand (participates in β ladder)trans-115.8112.3171.3179.5-66.5000108.1I32 M35 F59 T64 L65 T66 Y102 L143 L145 I155I32-W158 HydrophobicContact CD1-CZ3 4.2Å; M35-W158 HydrophobicContact CE-CH2 3.51Å; M35-W158 HydrophobicContact CE-CZ3 3.56Å; M35-W158 HydrophobicContact SD-CH2 4.35Å; M35-W158 HydrophobicContact SD-CZ3 3.86Å; F59-W158 HydrophobicContact CE1-CB 4.26Å; F59-W158 HydrophobicContact CE1-CE3 4.12Å; F59-W158 HydrophobicContact CZ-CE3 4.01Å; T64-W158 PolarHBondContact O-N 3.34Å; L65-W158 CarbonylContact C-O 3.46Å; L65-W158 WeakPolarHBondContact CA-O 3.32Å; L65-W158 HydrophobicContact CB-CB 4.35Å; L65-W158 HydrophobicContact CD1-CG 4.34Å; L65-W158 HydrophobicContact CG-CB 4.19Å; L65-W158 HydrophobicContact CG-CG 4.03Å; T66-W158 PolarHBondContact N-O 3.45Å; Y102-W158 HydrophobicContact CD1-CH2 4.19Å; Y102-W158 AromaticContact CD1-CZ2 3.97Å; Y102-W158 HydrophobicContact CD1-CZ2 3.97Å; Y102-W158 AromaticContact CD2-CH2 4Å; Y102-W158 HydrophobicContact CD2-CH2 4Å; Y102-W158 HydrophobicContact CD2-CZ2 4.44Å; Y102-W158 HydrophobicContact CE1-CH2 4.08Å; Y102-W158 AromaticContact CE1-CZ2 3.55Å; Y102-W158 HydrophobicContact CE1-CZ2 3.55Å; Y102-W158 AromaticContact CE2-CH2 3.88Å; Y102-W158 HydrophobicContact CE2-CH2 3.88Å; Y102-W158 HydrophobicContact CE2-CZ2 4.07Å; Y102-W158 HydrophobicContact CG-CH2 4.15Å; Y102-W158 HydrophobicContact CG-CZ2 4.39Å; Y102-W158 AromaticContact CZ-CH2 3.91Å; Y102-W158 AromaticContact CZ-CZ2 3.6Å; L143-W158 HydrophobicContact CD1-CD2 4.21Å; L143-W158 HydrophobicContact CD1-CG 4.49Å; L143-W158 HydrophobicContact CD1-CZ2 3.81Å; L143-W158 HydrophobicContact CD2-CH2 4.3Å; L143-W158 HydrophobicContact CD2-CZ2 4.23Å; L145-W158 HydrophobicContact CD2-CB 4.18Å; L145-W158 HydrophobicContact CD2-CD2 3.67Å; L145-W158 HydrophobicContact CD2-CE3 3.47Å; L145-W158 VanDerWaalsContact CD2-CE3 3.47Å; L145-W158 HydrophobicContact CD2-CG 4.02Å; L145-W158 HydrophobicContact CD2-CZ3 3.99Å; I155-W158 HydrophobicContact CD1-CE3 3.87Å; I155-W158 HydrophobicContact CD1-CZ3 3.96Å; I155-W158 HydrophobicContact CG2-CB 4.21Å; I155-W158 HydrophobicContact CG2-CE3 4.46Å
159H98Very high94Very high56 Ų5663.7 Ų63.726%0.25930%0.299SS..EExtended strand (participates in β ladder)trans-124.2107176.2-169.7178.2000110.4T66 S68 L143 I144T66-H159 WeakPolarHBondContact O-CA 3.48Å; S68-H159 PolarHBondContact OG-NE2 3.27Å; S68-H159 VanDerWaalsContact OG-NE2 3.09Å; L143-H159 WeakPolarHBondContact CA-O 3.47Å; I144-H159 HydrophobicContact CB-CB 4.39Å; I144-H159 PolarHBondContact N-O 3.19Å; I144-H159 PolarHBondContact O-N 3.28Å
160F97.9Very high94Very high1 Ų161.2 Ų61.20%0.00429%0.293CS..EExtended strand (participates in β ladder)trans-109.2118.9176.9-174.2-130.9000110.7T66 L67 S68 C123 M125 T139 L143 I162T66-F160 PolarHBondContact O-N 3.35Å; L67-F160 WeakPolarHBondContact CA-O 3.5Å; L67-F160 HydrophobicContact CD2-CB 3.96Å; L67-F160 HydrophobicContact CD2-CD1 3.95Å; L67-F160 HydrophobicContact CD2-CG 4.47Å; S68-F160 PolarHBondContact N-O 2.91Å; C123-F160 HydrophobicContact CB-CE2 4.17Å; M125-F160 HydrophobicContact CB-CE1 4.04Å; M125-F160 HydrophobicContact CB-CZ 4.05Å; M125-F160 HydrophobicContact SD-CE1 4.34Å; T139-F160 HydrophobicContact CG2-CE1 4.13Å; T139-F160 HydrophobicContact CG2-CZ 4.32Å; L143-F160 HydrophobicContact CB-CD2 4.01Å; L143-F160 HydrophobicContact CD1-CB 3.68Å; L143-F160 HydrophobicContact CD1-CD2 3.94Å; L143-F160 HydrophobicContact CD1-CG 4.15Å; F160-I162 HydrophobicContact CD1-CD1 4.39Å; F160-I162 HydrophobicContact CD1-CG1 3.82Å; F160-I162 HydrophobicContact CE1-CD1 4.19Å; F160-I162 HydrophobicContact CE1-CG1 3.58Å; F160-I162 HydrophobicContact CZ-CG1 4.22Å
161T97.3Very high94.1Very high46 Ų4668.7 Ų68.728%0.28232%0.316SS..EExtended strand (participates in β ladder)trans-107.5106.1177.7-58.10000109.4S68 G141 R142S68-T161 CarbonylContact O-C 3.58Å; S68-T161 VanDerWaalsContact O-CA 3.32Å; S68-T161 WeakPolarHBondContact O-CA 3.33Å; G141-T161 CarbonylContact C-O 3.6Å; G141-T161 WeakPolarHBondContact CA-O 3.48Å; R142-T161 PolarHBondContact N-O 2.99Å; R142-T161 PolarHBondContact O-N 3.2Å
162I96.8Very high94.2Very high7 Ų764.8 Ų64.84%0.03630%0.302CS..EExtended strand (participates in β ladder)trans-78.9129.8-178-52.6170.2000109S68 F69 T139 F160 M194 L196S68-I162 PolarHBondContact O-N 3.01Å; F69-I162 HydrophobicContact CB-CB 3.93Å; F69-I162 HydrophobicContact CB-CD1 4.21Å; F69-I162 HydrophobicContact CB-CG1 4.4Å; F69-I162 HydrophobicContact CD1-CD1 4.04Å; F69-I162 HydrophobicContact CG-CD1 4.38Å; T139-I162 HydrophobicContact CG2-CB 4.28Å; T139-I162 HydrophobicContact CG2-CD1 3.92Å; T139-I162 HydrophobicContact CG2-CG1 3.92Å; T139-I162 HydrophobicContact CG2-CG2 3.44Å; T139-I162 VanDerWaalsContact CG2-CG2 3.44Å; F160-I162 HydrophobicContact CD1-CD1 4.39Å; F160-I162 HydrophobicContact CD1-CG1 3.82Å; F160-I162 HydrophobicContact CE1-CD1 4.19Å; F160-I162 HydrophobicContact CE1-CG1 3.58Å; F160-I162 HydrophobicContact CZ-CG1 4.22Å; I162-M194 HydrophobicContact CG2-CE 3.93Å; I162-L196 HydrophobicContact CD1-CD1 4.08Å; I162-L196 HydrophobicContact CD1-CG 4.16Å
163R95.1Very high94.1Very high134 Ų13460.8 Ų60.851%0.50628%0.281SS..EExtended strand (participates in β ladder)trans-102.9-48.8177.3-66.9177.9176.5166.10.5111.4D121 E140D121-R163 VanDerWaalsContact CG-NH1 3.3Å; D121-R163 IonicContact OD1-CZ 3.8Å; D121-R163 IonicContact OD1-NH1 3.19Å; D121-R163 PolarHBondContact OD1-NH1 3.45Å; D121-R163 IonicContact OD1-NH2 2.66Å; D121-R163 PolarHBondContact OD1-NH2 3.23Å; D121-R163 IonicContact OD2-CZ 2.81Å; D121-R163 IonicContact OD2-NH1 2.86Å; D121-R163 PolarHBondContact OD2-NH1 2.97Å; D121-R163 IonicContact OD2-NH2 3.75Å; E140-R163 PolarHBondContact O-N 3.45Å
164Q94.1Very high93.8Very high93 Ų9364.3 Ų64.344%0.43530%0.299SS..EExtended strand (participates in β ladder)trans-150.3165.4-177.364.5-175.4-2.200110.5E140E140-Q164 HydrophobicContact CB-CG 3.93Å; E140-Q164 PolarHBondContact N-O 3.01Å; E140-Q164 PolarHBondContact O-N 3.47Å; E140-Q164 PolarHBondContact OE2-NE2 3.08Å
165Y95.6Very high93.3Very high57 Ų5765.8 Ų65.822%0.22432%0.321CS..EExtended strand (participates in β ladder)trans-144.2157.5174.873.5-74000110.3V137 C138 E167 N190 T192 M194 G195V137-Y165 HydrophobicContact CG1-CD2 4.5Å; C138-Y165 CarbonylContact O-C 3.51Å; C138-Y165 VanDerWaalsContact O-CA 3.26Å; C138-Y165 WeakPolarHBondContact O-CA 3.24Å; Y165-E167 HydrophobicContact CD2-CG 4.13Å; Y165-E167 HydrophobicContact CE2-CG 4.05Å; Y165-N190 PolarHBondContact OH-ND2 3.48Å; Y165-T192 WeakPolarHBondContact CE2-OG1 3.42Å; Y165-T192 PolarHBondContact OH-O 3.3Å; Y165-M194 HydrophobicContact CD1-SD 4.17Å; Y165-M194 HydrophobicContact CE1-SD 4.11Å; Y165-G195 VanDerWaalsContact CG-N 3.33Å
166R94.5Very high92.8Very high144 Ų14472.7 Ų72.754%0.54336%0.355SS..EExtended strand (participates in β ladder)trans-136.3133.6177.6-63.7-179.2179.31770.1109.6V137 C138V137-R166 WeakPolarHBondContact CA-O 3.15Å; C138-R166 PolarHBondContact N-O 2.84Å; C138-R166 PolarHBondContact O-N 3.34Å
167E94.3Very high92.2Very high39 Ų3971.3 Ų71.318%0.18235%0.349CS..EExtended strand (participates in β ladder)trans-104121.2173.5-54.9-166.4178.800108.7T135 V137 Y165 N190 I191 T192T135-E167 HydrophobicContact CG2-CB 3.94Å; V137-E167 HydrophobicContact CG1-CG 4.41Å; V137-E167 HydrophobicContact CG2-CG 4.05Å; Y165-E167 HydrophobicContact CD2-CG 4.13Å; Y165-E167 HydrophobicContact CE2-CG 4.05Å; E167-N190 WeakPolarHBondContact OE2-CA 3.41Å; E167-I191 PolarHBondContact OE1-N 2.97Å; E167-I191 WeakPolarHBondContact OE2-CG1 3.29Å; E167-I191 PolarHBondContact OE2-N 3.47Å; E167-T192 WeakPolarHBondContact OE1-CB 3.47Å; E167-T192 PolarHBondContact OE1-N 2.92Å; E167-T192 PolarHBondContact OE1-OG1 2.78Å
168L92.5Very high91.5Very high89 Ų8972.7 Ų72.747%0.46637%0.365SS..EExtended strand (participates in β ladder)trans-110116.4-176.9-58.3172.7000108.7T135 K136T135-L168 WeakPolarHBondContact CA-O 3.4Å; K136-L168 HydrophobicContact CB-CB 4.27Å; K136-L168 HydrophobicContact CD-CD1 4.46Å; K136-L168 PolarHBondContact N-O 2.79Å; K136-L168 WeakPolarHBondContact O-CB 3.33Å; K136-L168 PolarHBondContact O-N 2.74Å
169I90.6Very high90.8Very high58 Ų5882 Ų8230%0.29741%0.408SS..  trans-98.7132.3178.2-58.1175.9000109M133 T135 R171 I173 L187M133-I169 HydrophobicContact CE-CD1 4.03Å; T135-I169 HydrophobicContact CG2-CG1 4.3Å; I169-R171 PolarHBondContact O-N 3.1Å; I169-I173 HydrophobicContact CG2-CB 4.46Å; I169-L187 HydrophobicContact CD1-CB 4.13Å; I169-L187 WeakPolarHBondContact CD1-O 3.4Å
170P89.6Confident90.3Very high44 Ų4482.3 Ų82.329%0.28641%0.412SS..  trans-57.1133.7173.7-24.833.5000112.5F134 S172 I173 L174F134-P170 HydrophobicContact CB-CG 4.2Å; P170-S172 PolarHBondContact O-N 3.3Å; P170-I173 HydrophobicContact CB-CD1 4.25Å; P170-I173 HydrophobicContact CB-CG1 4.32Å; P170-I173 HydrophobicContact CG-CD1 4.02Å; P170-I173 PolarHBondContact O-N 3.25Å; P170-I173 VanDerWaalsContact O-N 3.12Å; P170-L174 PolarHBondContact O-N 2.83Å
171R89.2Confident89.7Confident223 Ų22387 Ų8784%0.84244%0.442SS*.Hα-helixtrans-59.5-29.4178.1-72-171.1178125-1.1113.4I169 I173 L174 A175I169-R171 PolarHBondContact O-N 3.1Å; R171-I173 VanDerWaalsContact C-N 3.33Å; R171-I173 PolarHBondContact O-N 3.33Å; R171-L174 PolarHBondContact O-N 3.32Å; R171-A175 WeakPolarHBondContact O-CB 3.46Å; R171-A175 PolarHBondContact O-N 2.9Å
172S87.9Confident89.2Confident87 Ų8792.3 Ų92.361%0.60846%0.464SS*.Hα-helixtrans-61.4-40.4176.849.50000112.3P170 A175 M176P170-S172 PolarHBondContact O-N 3.3Å; S172-A175 PolarHBondContact O-N 3.48Å; S172-M176 WeakPolarHBondContact O-CB 3.38Å; S172-M176 PolarHBondContact O-N 2.76Å
173I86Confident88.6Confident20 Ų2093.6 Ų93.610%0.10347%0.472CS..Hα-helixtrans-70-39.6178.9-63.3176.7000110.5M133 F134 I169 P170 R171 M176 H177 L187M133-I173 WeakPolarHBondContact O-CD1 3.27Å; F134-I173 HydrophobicContact CB-CD1 4.11Å; F134-I173 HydrophobicContact CD2-CD1 3.91Å; I169-I173 HydrophobicContact CG2-CB 4.46Å; P170-I173 HydrophobicContact CB-CD1 4.25Å; P170-I173 HydrophobicContact CB-CG1 4.32Å; P170-I173 HydrophobicContact CG-CD1 4.02Å; P170-I173 PolarHBondContact O-N 3.25Å; P170-I173 VanDerWaalsContact O-N 3.12Å; R171-I173 VanDerWaalsContact C-N 3.33Å; R171-I173 PolarHBondContact O-N 3.33Å; I173-M176 PolarHBondContact O-N 2.97Å; I173-H177 PolarHBondContact O-N 2.9Å; I173-H177 PolarHBondContact O-ND1 3.48Å; I173-L187 HydrophobicContact CG2-CD1 4.48Å
174L85.4Confident88.1Confident86 Ų8690.7 Ų90.745%0.4547%0.466SS..Hα-helixtrans-61-45.1174.4-167.180.3000111.2P170 R171 M176 H177 A178 L184 L187P170-L174 PolarHBondContact O-N 2.83Å; R171-L174 PolarHBondContact O-N 3.32Å; L174-M176 VanDerWaalsContact C-N 3.35Å; L174-M176 PolarHBondContact O-N 3.21Å; L174-H177 PolarHBondContact O-N 3.25Å; L174-A178 WeakPolarHBondContact O-CB 3.24Å; L174-A178 PolarHBondContact O-N 2.96Å; L174-L184 HydrophobicContact CD1-CD1 3.43Å; L174-L184 VanDerWaalsContact CD1-CD1 3.43Å; L174-L187 HydrophobicContact CD1-CD1 4.4Å
175A86.7Confident87.7Confident73 Ų7391.7 Ų91.760%0.60347%0.47SS*.Hα-helixtrans-65-37.917800000112.4R171 S172 H177 A178R171-A175 WeakPolarHBondContact O-CB 3.46Å; R171-A175 PolarHBondContact O-N 2.9Å; S172-A175 PolarHBondContact O-N 3.48Å; A175-H177 VanDerWaalsContact C-N 3.34Å; A175-H177 PolarHBondContact O-N 3.27Å; A175-A178 PolarHBondContact O-N 2.91Å
176M85.7Confident87.2Confident149 Ų14995.6 Ų95.673%0.73449%0.491SS*.Hα-helixtrans-65.5-36.2179.6-135.8-173.885.300112.7S172 I173 L174S172-M176 WeakPolarHBondContact O-CB 3.38Å; S172-M176 PolarHBondContact O-N 2.76Å; I173-M176 PolarHBondContact O-N 2.97Å; L174-M176 VanDerWaalsContact C-N 3.35Å; L174-M176 PolarHBondContact O-N 3.21Å
177H83.5Confident86.7Confident56 Ų5689.3 Ų89.326%0.25947%0.468SS..THydrogen-bonded Turntrans-104.214.6-177.9-55.894.3000113I173 L174 A175 Q179 D180 V183I173-H177 PolarHBondContact O-N 2.9Å; I173-H177 PolarHBondContact O-ND1 3.48Å; L174-H177 PolarHBondContact O-N 3.25Å; A175-H177 VanDerWaalsContact C-N 3.34Å; A175-H177 PolarHBondContact O-N 3.27Å; H177-Q179 PolarHBondContact O-N 3.39Å; H177-D180 PolarHBondContact O-N 2.91Å; H177-D180 VanDerWaalsContact O-N 3.1Å; H177-V183 HydrophobicContact CB-CB 4.23Å; H177-V183 HydrophobicContact CB-CG1 3.74Å
178A82.4Confident86.2Confident65 Ų6591.5 Ų91.554%0.53749%0.488SS..THydrogen-bonded Turntrans-64-25.1-176.500000113.4L174 A175L174-A178 WeakPolarHBondContact O-CB 3.24Å; L174-A178 PolarHBondContact O-N 2.96Å; A175-A178 PolarHBondContact O-N 2.91Å
179Q84.1Confident86.1Confident194 Ų19493 Ų9391%0.90749%0.49SS*.THydrogen-bonded Turntrans-88.8-4.3178.4-61.2-161.7100113.7H177 P181H177-Q179 PolarHBondContact O-N 3.39Å; Q179-P181 WeakPolarHBondContact O-CD 3.33Å
180D86.3Confident86Confident64 Ų6495.2 Ų95.234%0.34250%0.503SS..  trans-112.597.2178.5-170.1-21.3000110.3H177 Q182 V183 L184H177-D180 PolarHBondContact O-N 2.91Å; H177-D180 VanDerWaalsContact O-N 3.1Å; D180-Q182 PolarHBondContact O-N 3.35Å; D180-Q182 WeakPolarHBondContact OD1-CB 3.16Å; D180-Q182 PolarHBondContact OD1-N 2.89Å; D180-V183 HydrophobicContact CB-CB 4.19Å; D180-V183 HydrophobicContact CB-CG2 4.19Å; D180-V183 PolarHBondContact O-N 3.43Å; D180-V183 PolarHBondContact OD1-N 2.86Å; D180-V183 VanDerWaalsContact OD2-CG2 3.25Å; D180-V183 WeakPolarHBondContact OD2-CG2 3.38Å; D180-L184 PolarHBondContact O-N 2.95Å; D180-L184 VanDerWaalsContact O-N 3.11Å
181P85.6Confident85.9Confident99 Ų9996.2 Ų96.264%0.64351%0.505SS*.Hα-helixtrans-59.4-31.2178.9-24.434.3000113.6Q179 L184 E185Q179-P181 WeakPolarHBondContact O-CD 3.33Å; P181-L184 PolarHBondContact O-N 3.17Å; P181-E185 PolarHBondContact O-N 3.4Å
182Q86.7Confident86Confident158 Ų15885.7 Ų85.774%0.73847%0.466SS*.Hα-helixtrans-70.8-43.8-177.9-65-172-20.700111D180 L184 E185 Q186D180-Q182 PolarHBondContact O-N 3.35Å; D180-Q182 WeakPolarHBondContact OD1-CB 3.16Å; D180-Q182 PolarHBondContact OD1-N 2.89Å; Q182-L184 VanDerWaalsContact C-N 3.34Å; Q182-E185 PolarHBondContact O-N 3.1Å; Q182-Q186 PolarHBondContact O-N 3.43Å; Q182-Q186 VanDerWaalsContact O-N 3.13Å
183V84.4Confident86.2Confident34 Ų3487.6 Ų87.621%0.20646%0.46CS..Hα-helixtrans-64-44175.3175.90000109.8H177 D180 E185 Q186 L187H177-V183 HydrophobicContact CB-CB 4.23Å; H177-V183 HydrophobicContact CB-CG1 3.74Å; D180-V183 HydrophobicContact CB-CB 4.19Å; D180-V183 HydrophobicContact CB-CG2 4.19Å; D180-V183 PolarHBondContact O-N 3.43Å; D180-V183 PolarHBondContact OD1-N 2.86Å; D180-V183 VanDerWaalsContact OD2-CG2 3.25Å; D180-V183 WeakPolarHBondContact OD2-CG2 3.38Å; V183-E185 VanDerWaalsContact C-N 3.32Å; V183-E185 PolarHBondContact O-N 3.38Å; V183-Q186 CarbonylContact O-C 3.56Å; V183-Q186 WeakPolarHBondContact O-CA 3.18Å; V183-Q186 VanDerWaalsContact O-CB 3.31Å; V183-Q186 WeakPolarHBondContact O-CB 3.28Å; V183-Q186 PolarHBondContact O-N 2.77Å; V183-L187 HydrophobicContact CG1-CD1 4.49Å; V183-L187 HydrophobicContact CG1-CD2 4.03Å; V183-L187 HydrophobicContact CG1-CG 4.14Å; V183-L187 VanDerWaalsContact O-CG 3.29Å; V183-L187 WeakPolarHBondContact O-CG 3.4Å; V183-L187 PolarHBondContact O-N 3.16Å
184L84.3Confident86.5Confident72 Ų7288 Ų8838%0.37746%0.462SS..Hα-helixtrans-59.6-40.9179.2-173.461.6000112.8L174 D180 P181 Q182 Q186 L187 S188L174-L184 HydrophobicContact CD1-CD1 3.43Å; L174-L184 VanDerWaalsContact CD1-CD1 3.43Å; D180-L184 PolarHBondContact O-N 2.95Å; D180-L184 VanDerWaalsContact O-N 3.11Å; P181-L184 PolarHBondContact O-N 3.17Å; Q182-L184 VanDerWaalsContact C-N 3.34Å; L184-Q186 VanDerWaalsContact C-N 3.29Å; L184-Q186 PolarHBondContact O-N 3.28Å; L184-L187 HydrophobicContact CD1-CD1 4.27Å; L184-L187 PolarHBondContact O-N 3.25Å; L184-S188 PolarHBondContact O-N 3.46Å
185E87Confident86.7Confident114 Ų11484 Ų8453%0.53344%0.441SS..Hα-helixtrans-61.7-39.1173.2-161.2-158.8129.600111.3P181 Q182 V183 S188 K189P181-E185 PolarHBondContact O-N 3.4Å; Q182-E185 PolarHBondContact O-N 3.1Å; V183-E185 VanDerWaalsContact C-N 3.32Å; V183-E185 PolarHBondContact O-N 3.38Å; E185-S188 WeakPolarHBondContact O-CB 3.5Å; E185-S188 PolarHBondContact O-N 3.19Å; E185-S188 PolarHBondContact O-OG 3.28Å; E185-K189 WeakPolarHBondContact OE1-CE 3.44Å; E185-K189 IonicContact OE1-NZ 3.76Å; E185-K189 PolarHBondContact OE1-NZ 3.32Å
186Q85.4Confident87Confident140 Ų14080.8 Ų80.865%0.65441%0.413SS*.Hα-helixtrans-66-40173.4-170.9177.2-0.900112.5Q182 V183 L184 S188 K189Q182-Q186 PolarHBondContact O-N 3.43Å; Q182-Q186 VanDerWaalsContact O-N 3.13Å; V183-Q186 CarbonylContact O-C 3.56Å; V183-Q186 WeakPolarHBondContact O-CA 3.18Å; V183-Q186 VanDerWaalsContact O-CB 3.31Å; V183-Q186 WeakPolarHBondContact O-CB 3.28Å; V183-Q186 PolarHBondContact O-N 2.77Å; L184-Q186 VanDerWaalsContact C-N 3.29Å; L184-Q186 PolarHBondContact O-N 3.28Å; Q186-S188 PolarHBondContact O-N 2.92Å; Q186-K189 PolarHBondContact O-N 3.04Å
187L83.6Confident87.3Confident12 Ų1274.3 Ų74.36%0.06338%0.382CS..Hα-helixtrans-63.5-27175.6-53.3-175.1000112.1M133 I169 I173 L174 V183 L184 K189M133-L187 HydrophobicContact CE-CB 4.13Å; M133-L187 HydrophobicContact CE-CD2 3.21Å; M133-L187 HydrophobicContact CE-CG 4.2Å; M133-L187 HydrophobicContact SD-CD2 3.1Å; M133-L187 WeakPolarHBondContact SD-CD2 3.48Å; I169-L187 HydrophobicContact CD1-CB 4.13Å; I169-L187 WeakPolarHBondContact CD1-O 3.4Å; I173-L187 HydrophobicContact CG2-CD1 4.48Å; L174-L187 HydrophobicContact CD1-CD1 4.4Å; V183-L187 HydrophobicContact CG1-CD1 4.49Å; V183-L187 HydrophobicContact CG1-CD2 4.03Å; V183-L187 HydrophobicContact CG1-CG 4.14Å; V183-L187 VanDerWaalsContact O-CG 3.29Å; V183-L187 WeakPolarHBondContact O-CG 3.4Å; V183-L187 PolarHBondContact O-N 3.16Å; L184-L187 HydrophobicContact CD1-CD1 4.27Å; L184-L187 PolarHBondContact O-N 3.25Å; L187-K189 VanDerWaalsContact C-N 3.28Å
188S84Confident87.7Confident85 Ų8575.2 Ų75.259%0.59439%0.389SS*.Hα-helixtrans-75.3-17.2179.779.80000113.7L184 E185 Q186L184-S188 PolarHBondContact O-N 3.46Å; E185-S188 WeakPolarHBondContact O-CB 3.5Å; E185-S188 PolarHBondContact O-N 3.19Å; E185-S188 PolarHBondContact O-OG 3.28Å; Q186-S188 PolarHBondContact O-N 2.92Å
189K89.3Confident88.2Confident120 Ų12076.4 Ų76.452%0.52238%0.382SS..SBendtrans-84.7132.5179.8-67.9170.9-173.3165.60109.3E185 Q186 L187 I191E185-K189 WeakPolarHBondContact OE1-CE 3.44Å; E185-K189 IonicContact OE1-NZ 3.76Å; E185-K189 PolarHBondContact OE1-NZ 3.32Å; Q186-K189 PolarHBondContact O-N 3.04Å; L187-K189 VanDerWaalsContact C-N 3.28Å; K189-I191 PolarHBondContact O-N 2.89Å
190N88.7Confident88.6Confident104 Ų10467.2 Ų67.256%0.55634%0.339SS*.  trans-63.6133.3176.5-69.2-16.6000111Y165 E167Y165-N190 PolarHBondContact OH-ND2 3.48Å; E167-N190 WeakPolarHBondContact OE2-CA 3.41Å
191I88Confident88.9Confident65 Ų6564.2 Ų64.233%0.33332%0.323SS..SBendtrans-84.7-21.4175.754.6155.4000112.3H129 T135 V137 E167 K189H129-I191 HydrophobicContact CB-CD1 4.48Å; T135-I191 HydrophobicContact CG2-CD1 4.27Å; V137-I191 HydrophobicContact CG2-CD1 4.41Å; E167-I191 PolarHBondContact OE1-N 2.97Å; E167-I191 WeakPolarHBondContact OE2-CG1 3.29Å; E167-I191 PolarHBondContact OE2-N 3.47Å; K189-I191 PolarHBondContact O-N 2.89Å
192T91.4Very high89.3Confident3 Ų363.2 Ų63.22%0.01831%0.313CS..SBendtrans-116.1158.1179.4690000112.3V137 Y165 E167 G195 L196 T197V137-T192 HydrophobicContact CG1-CG2 4.39Å; V137-T192 HydrophobicContact CG2-CG2 4.11Å; Y165-T192 WeakPolarHBondContact CE2-OG1 3.42Å; Y165-T192 PolarHBondContact OH-O 3.3Å; E167-T192 WeakPolarHBondContact OE1-CB 3.47Å; E167-T192 PolarHBondContact OE1-N 2.92Å; E167-T192 PolarHBondContact OE1-OG1 2.78Å; T192-G195 WeakPolarHBondContact OG1-CA 3.02Å; T192-L196 WeakPolarHBondContact CA-O 3.44Å; T192-L196 WeakPolarHBondContact CB-O 3.03Å; T192-T197 HydrophobicContact CG2-CG2 4.42Å
193R91.5Very high89.6Confident127 Ų12757 Ų5748%0.47928%0.283SS..BIsolated β-bridgetrans-114.5117.4169.9-63.2-178.5-177.2-147.60.7108.1L71 G195 L196 L201L71-R193 HydrophobicContact CD2-CB 4.39Å; R193-G195 PolarHBondContact O-N 3.28Å; R193-L196 PolarHBondContact N-O 2.63Å; R193-L196 PolarHBondContact O-N 3.45Å; R193-L201 HydrophobicContact CB-CD1 3.75Å
194M91.9Very high90Very high29 Ų2955.4 Ų55.414%0.14327%0.273CS..THydrogen-bonded Turntrans55.435.3-172.3-63.4-57.5-65.900113.4F69 C70 L71 I162 Y165 L196F69-M194 HydrophobicContact CB-CB 4.32Å; F69-M194 HydrophobicContact CB-CE 4.41Å; F69-M194 HydrophobicContact CB-CG 4.45Å; F69-M194 HydrophobicContact CD2-CB 4.16Å; F69-M194 HydrophobicContact CD2-CG 4.21Å; F69-M194 HydrophobicContact CG-CB 4.41Å; C70-M194 VanDerWaalsContact O-CG 3.25Å; C70-M194 WeakPolarHBondContact O-CG 2.99Å; C70-M194 VanDerWaalsContact O-SD 3.38Å; L71-M194 HydrophobicContact CD2-CG 3.99Å; I162-M194 HydrophobicContact CG2-CE 3.93Å; Y165-M194 HydrophobicContact CD1-SD 4.17Å; Y165-M194 HydrophobicContact CE1-SD 4.11Å; M194-L196 PolarHBondContact O-N 3.28Å
195G89.7Confident90.3Very high2 Ų256.4 Ų56.42%0.02127%0.272CS..THydrogen-bonded Turntrans72.711.2178.700000114.9T139 Y165 T192 R193T139-G195 VanDerWaalsContact OG1-CA 3.27Å; T139-G195 WeakPolarHBondContact OG1-CA 3.31Å; T139-G195 PolarHBondContact OG1-O 3.28Å; Y165-G195 VanDerWaalsContact CG-N 3.33Å; T192-G195 WeakPolarHBondContact OG1-CA 3.02Å; R193-G195 PolarHBondContact O-N 3.28Å
196L93.3Very high90.4Very high4 Ų455.8 Ų55.82%0.02127%0.271CS..BIsolated β-bridgetrans-114.2141.2173.7-61.8176.8000110.4L67 F69 M125 I162 T192 R193 M194 T200 L201 L204L67-L196 HydrophobicContact CD1-CD1 4.46Å; F69-L196 HydrophobicContact CD1-CD1 4.21Å; F69-L196 HydrophobicContact CE1-CD1 3.66Å; F69-L196 HydrophobicContact CZ-CD1 4.01Å; M125-L196 HydrophobicContact CE-CD2 3.94Å; I162-L196 HydrophobicContact CD1-CD1 4.08Å; I162-L196 HydrophobicContact CD1-CG 4.16Å; T192-L196 WeakPolarHBondContact CA-O 3.44Å; T192-L196 WeakPolarHBondContact CB-O 3.03Å; R193-L196 PolarHBondContact N-O 2.63Å; R193-L196 PolarHBondContact O-N 3.45Å; M194-L196 PolarHBondContact O-N 3.28Å; L196-T200 HydrophobicContact CD2-CG2 4.43Å; L196-L201 HydrophobicContact CB-CD2 4.08Å; L196-L201 HydrophobicContact CB-CG 4.02Å; L196-L201 HydrophobicContact CD1-CD2 3.9Å; L196-L204 HydrophobicContact CD1-CD1 4.33Å
197T92.8Very high90.6Very high13 Ų1349.3 Ų49.38%0.0824%0.242CC..  trans-69.9154.517673.20000110.7V97 T192 F199 T200 L201V97-T197 HydrophobicContact CG2-CG2 4.39Å; T192-T197 HydrophobicContact CG2-CG2 4.42Å; T197-F199 PolarHBondContact O-N 3.33Å; T197-T200 PolarHBondContact O-N 2.71Å; T197-T200 PolarHBondContact OG1-N 3.33Å; T197-T200 PolarHBondContact OG1-OG1 3.36Å; T197-L201 WeakPolarHBondContact O-CG 3.11Å; T197-L201 PolarHBondContact O-N 2.94Å
198N91.9Very high90.6Very high76 Ų7652 Ų5241%0.40626%0.259SS..Hα-helixtrans-57.7-32.3175-70.5-57.6000112.1L201 N202N198-L201 PolarHBondContact O-N 3.36Å; N198-N202 WeakPolarHBondContact O-CB 3.41Å; N198-N202 PolarHBondContact O-N 2.91Å; N198-N202 PolarHBondContact O-ND2 3.07Å
199F91.8Very high90.5Very high89 Ų8952.8 Ų52.839%0.3926%0.255SS..Hα-helixtrans-64.1-49.6177.3-165.1-93.2000111.5T91 E94 T197 L201 N202 Y203T91-F199 HydrophobicContact CG2-CD1 4.19Å; T91-F199 HydrophobicContact CG2-CE1 3.72Å; T91-F199 WeakPolarHBondContact O-CD1 3.37Å; E94-F199 HydrophobicContact CB-CD1 3.83Å; E94-F199 HydrophobicContact CB-CE1 3.57Å; E94-F199 HydrophobicContact CB-CZ 4.08Å; E94-F199 HydrophobicContact CG-CE1 4.3Å; E94-F199 WeakPolarHBondContact OE2-CE1 3.4Å; E94-F199 WeakPolarHBondContact OE2-CZ 3.24Å; T197-F199 PolarHBondContact O-N 3.33Å; F199-L201 PolarHBondContact O-N 3.01Å; F199-N202 PolarHBondContact O-N 2.83Å; F199-Y203 PolarHBondContact O-N 3.35Å
200T93.1Very high90Very high1 Ų150.7 Ų50.71%0.00625%0.249CC..Hα-helixtrans-61.4-42.3175.3-50.80000111.7Y88 T91 V92 L196 T197 Y203 L204Y88-T200 HydrophobicContact CD2-CG2 4.14Å; Y88-T200 HydrophobicContact CE2-CG2 3.68Å; T91-T200 PolarHBondContact O-OG1 3.01Å; V92-T200 HydrophobicContact CG2-CG2 4.17Å; L196-T200 HydrophobicContact CD2-CG2 4.43Å; T197-T200 PolarHBondContact O-N 2.71Å; T197-T200 PolarHBondContact OG1-N 3.33Å; T197-T200 PolarHBondContact OG1-OG1 3.36Å; T200-Y203 WeakPolarHBondContact O-CB 3.37Å; T200-Y203 PolarHBondContact O-N 3.48Å; T200-L204 HydrophobicContact CG2-CD1 4.31Å; T200-L204 VanDerWaalsContact O-CG 3.32Å; T200-L204 WeakPolarHBondContact O-CG 3.26Å; T200-L204 PolarHBondContact O-N 3.34Å
201L92.9Very high89.4Confident1 Ų151.9 Ų51.91%0.00525%0.251CS..Hα-helixtrans-64.1-42.4178-71.9175.2000112.8F69 R193 L196 T197 N198 F199 Y203 L204 R205F69-L201 HydrophobicContact CE1-CD2 4.37Å; F69-L201 HydrophobicContact CE2-CD2 3.75Å; F69-L201 HydrophobicContact CZ-CD2 3.37Å; R193-L201 HydrophobicContact CB-CD1 3.75Å; L196-L201 HydrophobicContact CB-CD2 4.08Å; L196-L201 HydrophobicContact CB-CG 4.02Å; L196-L201 HydrophobicContact CD1-CD2 3.9Å; T197-L201 WeakPolarHBondContact O-CG 3.11Å; T197-L201 PolarHBondContact O-N 2.94Å; N198-L201 PolarHBondContact O-N 3.36Å; F199-L201 PolarHBondContact O-N 3.01Å; L201-Y203 VanDerWaalsContact C-N 3.33Å; L201-L204 PolarHBondContact O-N 3.15Å; L201-R205 VanDerWaalsContact O-CG 3.29Å; L201-R205 WeakPolarHBondContact O-CG 3.41Å; L201-R205 PolarHBondContact O-N 2.85Å
202N93.1Very high88.8Confident78 Ų7852.1 Ų52.142%0.41726%0.257SS..Hα-helixtrans-65.6-39.4176.8-72.4-21.2000111.4N198 F199 R205 L206N198-N202 WeakPolarHBondContact O-CB 3.41Å; N198-N202 PolarHBondContact O-N 2.91Å; N198-N202 PolarHBondContact O-ND2 3.07Å; F199-N202 PolarHBondContact O-N 2.83Å; N202-R205 PolarHBondContact O-N 3.22Å; N202-R205 PolarHBondContact OD1-NH1 3.42Å; N202-L206 WeakPolarHBondContact O-CG 3.39Å; N202-L206 PolarHBondContact O-N 3.4Å
203Y93.6Very high88.2Confident28 Ų2855.6 Ų55.611%0.1127%0.274CS..Hα-helixtrans-59.3-48.8172.7175.1-106.9000112L84 R87 T91 F199 T200 L201 R205 L206 C207L84-Y203 WeakPolarHBondContact CB-OH 3.49Å; L84-Y203 PolarHBondContact O-OH 3.2Å; L84-Y203 VanDerWaalsContact O-OH 3.04Å; R87-Y203 HydrophobicContact CB-CE2 4.19Å; R87-Y203 WeakPolarHBondContact CB-OH 3.32Å; R87-Y203 HydrophobicContact CG-CD2 4.2Å; R87-Y203 HydrophobicContact CG-CE1 4.46Å; R87-Y203 HydrophobicContact CG-CE2 3.4Å; R87-Y203 VanDerWaalsContact CG-CE2 3.4Å; T91-Y203 HydrophobicContact CG2-CD1 3.89Å; T91-Y203 HydrophobicContact CG2-CD2 3.87Å; T91-Y203 HydrophobicContact CG2-CE1 4.45Å; T91-Y203 HydrophobicContact CG2-CE2 4.44Å; T91-Y203 HydrophobicContact CG2-CG 3.57Å; F199-Y203 PolarHBondContact O-N 3.35Å; T200-Y203 WeakPolarHBondContact O-CB 3.37Å; T200-Y203 PolarHBondContact O-N 3.48Å; L201-Y203 VanDerWaalsContact C-N 3.33Å; Y203-R205 VanDerWaalsContact C-N 3.31Å; Y203-R205 PolarHBondContact O-N 2.77Å; Y203-L206 WeakPolarHBondContact O-CB 3.41Å; Y203-L206 PolarHBondContact O-N 2.79Å; Y203-L206 VanDerWaalsContact O-N 3.07Å; Y203-C207 VanDerWaalsContact CE1-SG 3.52Å; Y203-C207 PolarHBondContact O-N 3Å; Y203-C207 PolarHBondContact O-SG 2.9Å
204L91.9Very high87.7Confident1 Ų154.6 Ų54.61%0.00528%0.275CS..Hα-helixtrans-60.5-38.9178.2-69169.3000112.7L67 Y78 I80 Y88 L196 T200 L201 L206 C207 V208L67-L204 HydrophobicContact CD1-CD1 3.58Å; L67-L204 HydrophobicContact CD1-CD2 4.04Å; L67-L204 HydrophobicContact CD1-CG 4.45Å; Y78-L204 HydrophobicContact CD1-CB 3.79Å; Y78-L204 WeakPolarHBondContact CD1-O 3.32Å; Y78-L204 HydrophobicContact CD2-CB 4.31Å; Y78-L204 HydrophobicContact CD2-CD1 4.33Å; Y78-L204 HydrophobicContact CE1-CB 4.24Å; Y78-L204 HydrophobicContact CG-CB 3.84Å; Y78-L204 HydrophobicContact CG-CD1 4.42Å; I80-L204 HydrophobicContact CG2-CD2 4.37Å; Y88-L204 HydrophobicContact CD2-CD2 4.07Å; Y88-L204 HydrophobicContact CE2-CD2 4.37Å; L196-L204 HydrophobicContact CD1-CD1 4.33Å; T200-L204 HydrophobicContact CG2-CD1 4.31Å; T200-L204 VanDerWaalsContact O-CG 3.32Å; T200-L204 WeakPolarHBondContact O-CG 3.26Å; T200-L204 PolarHBondContact O-N 3.34Å; L201-L204 PolarHBondContact O-N 3.15Å; L204-L206 VanDerWaalsContact C-N 3.35Å; L204-C207 PolarHBondContact O-N 2.71Å; L204-V208 PolarHBondContact O-N 3.43Å
205R91.3Very high87.3Confident93 Ų9355.9 Ų55.935%0.35128%0.281SS..Hα-helixtrans-61.5-42.3173.4-71.3165.8176.2166.3-6.6111.8Y78 L201 N202 Y203 V208Y78-R205 HydrophobicContact CE1-CG 4.19Å; L201-R205 VanDerWaalsContact O-CG 3.29Å; L201-R205 WeakPolarHBondContact O-CG 3.41Å; L201-R205 PolarHBondContact O-N 2.85Å; N202-R205 PolarHBondContact O-N 3.22Å; N202-R205 PolarHBondContact OD1-NH1 3.42Å; Y203-R205 VanDerWaalsContact C-N 3.31Å; Y203-R205 PolarHBondContact O-N 2.77Å; R205-V208 PolarHBondContact O-N 2.88Å
206L90.1Very high87.1Confident100 Ų10056.8 Ų56.852%0.52429%0.285SS..Hα-helixtrans-65.1-40.1176.2-70.7171.1000111.8N202 Y203 L204 V208 I209 L210N202-L206 WeakPolarHBondContact O-CG 3.39Å; N202-L206 PolarHBondContact O-N 3.4Å; Y203-L206 WeakPolarHBondContact O-CB 3.41Å; Y203-L206 PolarHBondContact O-N 2.79Å; Y203-L206 VanDerWaalsContact O-N 3.07Å; L204-L206 VanDerWaalsContact C-N 3.35Å; L206-V208 VanDerWaalsContact C-N 3.3Å; L206-V208 PolarHBondContact O-N 3.35Å; L206-I209 PolarHBondContact O-N 3.48Å; L206-I209 VanDerWaalsContact O-N 3.07Å; L206-L210 WeakPolarHBondContact O-CB 3.21Å; L206-L210 VanDerWaalsContact O-CG 3.3Å; L206-L210 WeakPolarHBondContact O-CG 3.09Å; L206-L210 PolarHBondContact O-N 3.05Å
207C88.4Confident86.6Confident4 Ų461.4 Ų61.43%0.02731%0.307CS..Hα-helixtrans-57.7-41.3178.2-66.30000112.8I80 L84 Y203 L204 I209 L210 E211I80-C207 HydrophobicContact CG2-CB 3.69Å; L84-C207 HydrophobicContact CD1-CB 4.07Å; Y203-C207 VanDerWaalsContact CE1-SG 3.52Å; Y203-C207 PolarHBondContact O-N 3Å; Y203-C207 PolarHBondContact O-SG 2.9Å; L204-C207 PolarHBondContact O-N 2.71Å; C207-I209 VanDerWaalsContact C-N 3.25Å; C207-I209 PolarHBondContact O-N 2.94Å; C207-L210 PolarHBondContact O-N 3.38Å; C207-E211 PolarHBondContact O-N 2.93Å
208V83.6Confident86.3Confident70 Ų7063.6 Ų63.642%0.42432%0.323SS..Hα-helixtrans-63.9-31.8177.7174.20000112.1Y78 L204 R205 L206 P212Y78-V208 HydrophobicContact CD1-CG2 3.57Å; Y78-V208 HydrophobicContact CE1-CG2 4.08Å; L204-V208 PolarHBondContact O-N 3.43Å; R205-V208 PolarHBondContact O-N 2.88Å; L206-V208 VanDerWaalsContact C-N 3.3Å; L206-V208 PolarHBondContact O-N 3.35Å; V208-P212 WeakPolarHBondContact O-CD 3.39Å
209I82.3Confident85.9Confident100 Ų10061.7 Ų61.751%0.51331%0.31SS..Hα-helixtrans-81.3-38177.8-61.4169.1000110.8L206 C207 E211 P212 M213L206-I209 PolarHBondContact O-N 3.48Å; L206-I209 VanDerWaalsContact O-N 3.07Å; C207-I209 VanDerWaalsContact C-N 3.25Å; C207-I209 PolarHBondContact O-N 2.94Å; I209-E211 VanDerWaalsContact C-N 3.31Å; I209-E211 PolarHBondContact O-N 3Å; I209-P212 WeakPolarHBondContact O-CD 3.45Å; I209-P212 VanDerWaalsContact O-CG 3.26Å; I209-P212 WeakPolarHBondContact O-CG 3.3Å; I209-M213 HydrophobicContact CG2-CG 4.2Å; I209-M213 WeakPolarHBondContact O-CG 3.47Å; I209-M213 PolarHBondContact O-N 3.34Å
210L78.6Confident85.7Confident76 Ų7661.3 Ų61.340%0.39831%0.31SS..Hα-helixtrans-68.6-30.6-175.5-74.4171000112.6L206 C207 M213 Q214L206-L210 WeakPolarHBondContact O-CB 3.21Å; L206-L210 VanDerWaalsContact O-CG 3.3Å; L206-L210 WeakPolarHBondContact O-CG 3.09Å; L206-L210 PolarHBondContact O-N 3.05Å; C207-L210 PolarHBondContact O-N 3.38Å; L210-M213 CarbonylContact O-C 3.57Å; L210-M213 WeakPolarHBondContact O-CA 3.2Å; L210-M213 WeakPolarHBondContact O-CB 3.26Å; L210-M213 PolarHBondContact O-N 3.37Å; L210-M213 VanDerWaalsContact O-N 3.14Å; L210-Q214 WeakPolarHBondContact O-CG 3.46Å; L210-Q214 PolarHBondContact O-N 3.44Å
211E75.8Confident85.5Confident129 Ų12969.7 Ų69.760%0.60335%0.346SS*.Hα-helixtrans-56.8-57.2177.7-175.8175.3-169.700113C207 I209 M213 Q214C207-E211 PolarHBondContact O-N 2.93Å; I209-E211 VanDerWaalsContact C-N 3.31Å; I209-E211 PolarHBondContact O-N 3Å; E211-M213 PolarHBondContact O-N 3.26Å; E211-Q214 WeakPolarHBondContact O-CB 3.42Å; E211-Q214 PolarHBondContact O-N 3.24Å; E211-Q214 VanDerWaalsContact O-N 3.1Å
212P75.6Confident85.4Confident70 Ų7074.2 Ų74.246%0.45537%0.374SS..Hα-helixtrans-66.8-24.1173.826.4-34.6000112.9V208 I209 Q214 E215V208-P212 WeakPolarHBondContact O-CD 3.39Å; I209-P212 WeakPolarHBondContact O-CD 3.45Å; I209-P212 VanDerWaalsContact O-CG 3.26Å; I209-P212 WeakPolarHBondContact O-CG 3.3Å; P212-Q214 VanDerWaalsContact C-N 3.25Å; P212-Q214 PolarHBondContact O-N 3.32Å; P212-E215 PolarHBondContact O-N 3.35Å
213M78.8Confident85.1Confident76 Ų7677.8 Ų77.837%0.37438%0.383SS..Hα-helixtrans-67.6-23.5173.5-64.5-11177.600112.5I209 L210 E211 E215 L216 M217I209-M213 HydrophobicContact CG2-CG 4.2Å; I209-M213 WeakPolarHBondContact O-CG 3.47Å; I209-M213 PolarHBondContact O-N 3.34Å; L210-M213 CarbonylContact O-C 3.57Å; L210-M213 WeakPolarHBondContact O-CA 3.2Å; L210-M213 WeakPolarHBondContact O-CB 3.26Å; L210-M213 PolarHBondContact O-N 3.37Å; L210-M213 VanDerWaalsContact O-N 3.14Å; E211-M213 PolarHBondContact O-N 3.26Å; M213-E215 VanDerWaalsContact C-N 3.33Å; M213-E215 PolarHBondContact O-N 3.35Å; M213-L216 HydrophobicContact CE-CB 4.18Å; M213-L216 HydrophobicContact CE-CD1 3.24Å; M213-L216 HydrophobicContact CE-CG 4.31Å; M213-L216 CarbonylContact O-C 3.57Å; M213-L216 WeakPolarHBondContact O-CA 3.45Å; M213-L216 WeakPolarHBondContact O-CB 3.5Å; M213-L216 PolarHBondContact O-N 3.16Å; M213-L216 VanDerWaalsContact O-N 3.07Å; M213-M217 HydrophobicContact CB-CE 4.31Å; M213-M217 WeakPolarHBondContact O-CB 3.39Å; M213-M217 WeakPolarHBondContact O-CG 3.47Å; M213-M217 PolarHBondContact O-N 2.83Å
214Q81.6Confident84.9Confident106 Ų10683.1 Ų83.150%0.49541%0.413SS..Hα-helixtrans-62.2-39.7177.5-70.6175.110.900112.2L210 E211 P212 L216 M217 S218L210-Q214 WeakPolarHBondContact O-CG 3.46Å; L210-Q214 PolarHBondContact O-N 3.44Å; E211-Q214 WeakPolarHBondContact O-CB 3.42Å; E211-Q214 PolarHBondContact O-N 3.24Å; E211-Q214 VanDerWaalsContact O-N 3.1Å; P212-Q214 VanDerWaalsContact C-N 3.25Å; P212-Q214 PolarHBondContact O-N 3.32Å; Q214-L216 VanDerWaalsContact C-N 3.26Å; Q214-L216 PolarHBondContact O-N 3.15Å; Q214-M217 HydrophobicContact CB-CE 4.42Å; Q214-M217 HydrophobicContact CG-CE 3.93Å; Q214-M217 PolarHBondContact O-N 3.42Å; Q214-S218 WeakPolarHBondContact O-CB 3.15Å; Q214-S218 PolarHBondContact O-N 3.22Å; Q214-S218 PolarHBondContact O-OG 3.3Å
215E83.5Confident84.7Confident57 Ų5786.3 Ų86.327%0.26643%0.43SS..Hα-helixtrans-59.4-41.9173.3-172.1-178.417800110.3P212 M213 S218 R219 K238P212-E215 PolarHBondContact O-N 3.35Å; M213-E215 VanDerWaalsContact C-N 3.33Å; M213-E215 PolarHBondContact O-N 3.35Å; E215-S218 PolarHBondContact O-OG 3.14Å; E215-R219 WeakPolarHBondContact O-CG 3.47Å; E215-R219 PolarHBondContact O-N 2.86Å; E215-R219 IonicContact OE1-CZ 3.65Å; E215-R219 IonicContact OE1-NE 3.81Å; E215-R219 IonicContact OE1-NH2 2.83Å; E215-R219 PolarHBondContact OE1-NH2 3.07Å; E215-K238 WeakPolarHBondContact OE2-CE 3.42Å; E215-K238 IonicContact OE2-NZ 3.36Å; E215-K238 PolarHBondContact OE2-NZ 3.31Å
216L84.8Confident84.6Confident20 Ų2084.2 Ų84.211%0.10543%0.43CS..Hα-helixtrans-69.8-44.4179.7-65.2168.4000112.4M213 Q214 S218 R219 H220 C230 L231 C234M213-L216 HydrophobicContact CE-CB 4.18Å; M213-L216 HydrophobicContact CE-CD1 3.24Å; M213-L216 HydrophobicContact CE-CG 4.31Å; M213-L216 CarbonylContact O-C 3.57Å; M213-L216 WeakPolarHBondContact O-CA 3.45Å; M213-L216 WeakPolarHBondContact O-CB 3.5Å; M213-L216 PolarHBondContact O-N 3.16Å; M213-L216 VanDerWaalsContact O-N 3.07Å; Q214-L216 VanDerWaalsContact C-N 3.26Å; Q214-L216 PolarHBondContact O-N 3.15Å; L216-S218 VanDerWaalsContact C-N 3.32Å; L216-S218 PolarHBondContact O-N 3.1Å; L216-R219 PolarHBondContact O-N 3.01Å; L216-H220 WeakPolarHBondContact O-CB 3.3Å; L216-H220 PolarHBondContact O-N 2.85Å; L216-C230 HydrophobicContact CD2-CB 3.92Å; L216-C230 VanDerWaalsContact CD2-O 3.3Å; L216-C230 WeakPolarHBondContact CD2-O 3.41Å; L216-L231 HydrophobicContact CD1-CD1 3.83Å; L216-L231 VanDerWaalsContact CD2-CA 3.46Å; L216-L231 HydrophobicContact CD2-CB 4.21Å; L216-L231 HydrophobicContact CD2-CD1 4.35Å; L216-C234 HydrophobicContact CD2-CB 3.75Å; L216-C234 WeakPolarHBondContact CD2-SG 3.45Å
217M83.3Confident84.4Confident101 Ų10183.9 Ų83.950%0.49843%0.433SS..Hα-helixtrans-62.6-39.8176.6-71.9-172.8-71.300111.4M213 Q214 R219 H220 K221M213-M217 HydrophobicContact CB-CE 4.31Å; M213-M217 WeakPolarHBondContact O-CB 3.39Å; M213-M217 WeakPolarHBondContact O-CG 3.47Å; M213-M217 PolarHBondContact O-N 2.83Å; Q214-M217 HydrophobicContact CB-CE 4.42Å; Q214-M217 HydrophobicContact CG-CE 3.93Å; Q214-M217 PolarHBondContact O-N 3.42Å; M217-R219 PolarHBondContact O-N 3.04Å; M217-H220 PolarHBondContact O-N 2.9Å; M217-K221 WeakPolarHBondContact O-CB 3.14Å; M217-K221 PolarHBondContact O-N 2.79Å
218S86.9Confident84.4Confident60 Ų6093.8 Ų93.842%0.4247%0.47SS..Hα-helixtrans-60.6-46.4176.176.20000111.1Q214 E215 L216 K221 T222Q214-S218 WeakPolarHBondContact O-CB 3.15Å; Q214-S218 PolarHBondContact O-N 3.22Å; Q214-S218 PolarHBondContact O-OG 3.3Å; E215-S218 PolarHBondContact O-OG 3.14Å; L216-S218 VanDerWaalsContact C-N 3.32Å; L216-S218 PolarHBondContact O-N 3.1Å; S218-K221 PolarHBondContact O-N 3.41Å; S218-T222 WeakPolarHBondContact O-CB 3.38Å; S218-T222 PolarHBondContact O-N 3.01Å; S218-T222 PolarHBondContact O-OG1 3.3Å
219R83.3Confident84.7Confident35 Ų3594 Ų9413%0.13247%0.469CS..Hα-helixtrans-67.8-39178.5-69.1-177.7-169.4-148.95.7112.8E215 L216 M217 K221 T222 Y223 C234 Q237E215-R219 WeakPolarHBondContact O-CG 3.47Å; E215-R219 PolarHBondContact O-N 2.86Å; E215-R219 IonicContact OE1-CZ 3.65Å; E215-R219 IonicContact OE1-NE 3.81Å; E215-R219 IonicContact OE1-NH2 2.83Å; E215-R219 PolarHBondContact OE1-NH2 3.07Å; L216-R219 PolarHBondContact O-N 3.01Å; M217-R219 PolarHBondContact O-N 3.04Å; R219-K221 VanDerWaalsContact C-N 3.29Å; R219-K221 PolarHBondContact O-N 3.42Å; R219-T222 PolarHBondContact O-N 3.5Å; R219-Y223 HydrophobicContact CB-CD2 4.08Å; R219-Y223 HydrophobicContact CB-CE2 4.47Å; R219-Y223 HydrophobicContact CG-CD2 4.39Å; R219-Y223 HydrophobicContact CG-CE2 4.29Å; R219-Y223 WeakPolarHBondContact O-CB 3.43Å; R219-Y223 WeakPolarHBondContact O-CD2 3.43Å; R219-Y223 PolarHBondContact O-N 3.48Å; R219-C234 WeakPolarHBondContact CD-SG 3.48Å; R219-C234 PolarHBondContact NE-SG 3Å; R219-Q237 VanDerWaalsContact CZ-OE1 3.23Å
220H87.8Confident85Confident82 Ų8289.2 Ų89.238%0.3845%0.445SS..Hα-helixtrans-56.5-47.6172.817771.1000110.3L216 M217 N224 L225 C230L216-H220 WeakPolarHBondContact O-CB 3.3Å; L216-H220 PolarHBondContact O-N 2.85Å; M217-H220 PolarHBondContact O-N 2.9Å; H220-N224 WeakPolarHBondContact O-CA 3.42Å; H220-N224 PolarHBondContact O-N 3.4Å; H220-L225 PolarHBondContact CE1-O 3.16Å; H220-L225 PolarHBondContact ND1-O 3.38Å; H220-C230 PolarHBondContact N-SG 2.91Å
221K89.5Confident85.5Confident176 Ų17689.4 Ų89.477%0.76545%0.445SS*.Hα-helixtrans-68.3-35.9179.8-168.2173.2-177.5176.70113.5M217 S218 R219M217-K221 WeakPolarHBondContact O-CB 3.14Å; M217-K221 PolarHBondContact O-N 2.79Å; S218-K221 PolarHBondContact O-N 3.41Å; R219-K221 VanDerWaalsContact C-N 3.29Å; R219-K221 PolarHBondContact O-N 3.42Å
222T89.6Confident86.3Confident97 Ų9790.7 Ų90.760%0.59545%0.449SS*.Hα-helixtrans-78.5-40.6-179.1-57.90000112.6S218 R219S218-T222 WeakPolarHBondContact O-CB 3.38Å; S218-T222 PolarHBondContact O-N 3.01Å; S218-T222 PolarHBondContact O-OG1 3.3Å; R219-T222 PolarHBondContact O-N 3.5Å
223Y87.4Confident86.8Confident152 Ų15290.1 Ų90.160%0.59644%0.444SS*.Hα-helixtrans-109.9-3.4-169.9-57.7-68.9000114R219 L225R219-Y223 HydrophobicContact CB-CD2 4.08Å; R219-Y223 HydrophobicContact CB-CE2 4.47Å; R219-Y223 HydrophobicContact CG-CD2 4.39Å; R219-Y223 HydrophobicContact CG-CE2 4.29Å; R219-Y223 WeakPolarHBondContact O-CB 3.43Å; R219-Y223 WeakPolarHBondContact O-CD2 3.43Å; R219-Y223 PolarHBondContact O-N 3.48Å; Y223-L225 PolarHBondContact O-N 2.89Å; Y223-L225 VanDerWaalsContact O-N 3.14Å
224N88.6Confident87.2Confident141 Ų14186.7 Ų86.775%0.75443%0.428SS*.  trans51.631.8-176-67-44.2000113.7H220H220-N224 WeakPolarHBondContact O-CA 3.42Å; H220-N224 PolarHBondContact O-N 3.4Å
225L87.9Confident87.5Confident68 Ų6886.6 Ų86.636%0.35643%0.43SS..  trans-83.2154.7178.2-67.1173.3000110.8H220 Y223 D229H220-L225 PolarHBondContact CE1-O 3.16Å; H220-L225 PolarHBondContact ND1-O 3.38Å; Y223-L225 PolarHBondContact O-N 2.89Å; Y223-L225 VanDerWaalsContact O-N 3.14Å; L225-D229 HydrophobicContact CB-CB 4.36Å
226S89.3Confident87.8Confident49 Ų4989.3 Ų89.334%0.34344%0.441SS..  trans-62.4149.1173.583.70000110.8R228 D229 C230S226-R228 PolarHBondContact O-N 3.15Å; S226-R228 VanDerWaalsContact O-N 3.12Å; S226-D229 WeakPolarHBondContact CB-OD2 3.49Å; S226-D229 PolarHBondContact O-N 3.26Å; S226-D229 PolarHBondContact OG-N 3.19Å; S226-D229 PolarHBondContact OG-OD2 3.29Å; S226-C230 PolarHBondContact O-N 2.83Å; S226-C230 PolarHBondContact O-SG 3.07Å
227P86.3Confident87.8Confident93 Ų9391.7 Ų91.760%0.60445%0.452SS*.Hα-helixtrans-55-31.8177.4-28.635.7000113.8L231P227-L231 PolarHBondContact O-N 3.21Å; P227-L231 VanDerWaalsContact O-N 3.12Å
228R88.1Confident88Confident212 Ų21290.6 Ų90.680%0.844%0.444SS*.Hα-helixtrans-67.5-39.7174.8-72.8-171.5177.1-163.7-0.1112.2S226 L231 K232S226-R228 PolarHBondContact O-N 3.15Å; S226-R228 VanDerWaalsContact O-N 3.12Å; R228-L231 PolarHBondContact O-N 2.89Å; R228-K232 PolarHBondContact O-N 2.83Å
229D89.6Confident88.1Confident73 Ų7394.3 Ų94.339%0.3945%0.449SS..Hα-helixtrans-71.4-39.9177.9-61.1-41.3000111.2L225 S226 L231 K232 T233L225-D229 HydrophobicContact CB-CB 4.36Å; S226-D229 WeakPolarHBondContact CB-OD2 3.49Å; S226-D229 PolarHBondContact O-N 3.26Å; S226-D229 PolarHBondContact OG-N 3.19Å; S226-D229 PolarHBondContact OG-OD2 3.29Å; D229-L231 PolarHBondContact O-N 2.84Å; D229-K232 PolarHBondContact O-N 3.41Å; D229-T233 PolarHBondContact O-N 3.28Å; D229-T233 PolarHBondContact O-OG1 2.94Å; D229-T233 VanDerWaalsContact O-OG1 3.08Å
230C89.1Confident88.4Confident1 Ų197.1 Ų97.11%0.00746%0.464CS..Hα-helixtrans-54.9-43.6171.5-64.10000111.3L216 H220 S226 T233 C234L216-C230 HydrophobicContact CD2-CB 3.92Å; L216-C230 VanDerWaalsContact CD2-O 3.3Å; L216-C230 WeakPolarHBondContact CD2-O 3.41Å; H220-C230 PolarHBondContact N-SG 2.91Å; S226-C230 PolarHBondContact O-N 2.83Å; S226-C230 PolarHBondContact O-SG 3.07Å; C230-T233 PolarHBondContact O-N 2.78Å; C230-C234 VanDerWaalsContact O-CB 3.3Å; C230-C234 WeakPolarHBondContact O-CB 3.49Å; C230-C234 PolarHBondContact O-N 3.47Å; C230-C234 PolarHBondContact O-SG 2.92Å; C230-C234 VanDerWaalsContact O-SG 3.41Å
231L89.9Confident88.3Confident79 Ų79100.5 Ų100.541%0.41447%0.473SS..Hα-helixtrans-63.4-49.6177.6-177.565.1000111.5L216 P227 R228 D229 T233 C234 L235L216-L231 HydrophobicContact CD1-CD1 3.83Å; L216-L231 VanDerWaalsContact CD2-CA 3.46Å; L216-L231 HydrophobicContact CD2-CB 4.21Å; L216-L231 HydrophobicContact CD2-CD1 4.35Å; P227-L231 PolarHBondContact O-N 3.21Å; P227-L231 VanDerWaalsContact O-N 3.12Å; R228-L231 PolarHBondContact O-N 2.89Å; D229-L231 PolarHBondContact O-N 2.84Å; L231-T233 PolarHBondContact O-N 3.35Å; L231-C234 PolarHBondContact O-N 3.42Å; L231-L235 HydrophobicContact CD1-CD1 3.9Å; L231-L235 HydrophobicContact CD1-CG 4Å; L231-L235 HydrophobicContact CG-CD1 3.84Å; L231-L235 HydrophobicContact CG-CG 4.31Å; L231-L235 WeakPolarHBondContact O-CB 3.3Å; L231-L235 VanDerWaalsContact O-CG 3.3Å; L231-L235 WeakPolarHBondContact O-CG 3.36Å; L231-L235 PolarHBondContact O-N 3.45Å
232K90.8Very high87.9Confident157 Ų15799.1 Ų99.168%0.68347%0.471SS*.Hα-helixtrans-54.5-50.3176.1-90.9-176.3174.1179.20111.7R228 D229 L235 F236R228-K232 PolarHBondContact O-N 2.83Å; D229-K232 PolarHBondContact O-N 3.41Å; K232-L235 PolarHBondContact O-N 2.9Å; K232-F236 VanDerWaalsContact O-CB 3.28Å; K232-F236 WeakPolarHBondContact O-CB 3.34Å; K232-F236 PolarHBondContact O-N 3.32Å
233T87.4Confident87.6Confident57 Ų5798.7 Ų98.735%0.3547%0.468SS..Hα-helixtrans-66.2-40.6-178.6-51.70000112.2D229 C230 L231 Q237D229-T233 PolarHBondContact O-N 3.28Å; D229-T233 PolarHBondContact O-OG1 2.94Å; D229-T233 VanDerWaalsContact O-OG1 3.08Å; C230-T233 PolarHBondContact O-N 2.78Å; L231-T233 PolarHBondContact O-N 3.35Å; T233-Q237 WeakPolarHBondContact O-CB 3.3Å; T233-Q237 VanDerWaalsContact O-CG 3.3Å; T233-Q237 WeakPolarHBondContact O-CG 3.28Å; T233-Q237 PolarHBondContact O-N 2.91Å
234C86.9Confident86.9Confident5 Ų594.1 Ų94.13%0.03446%0.462CS..Hα-helixtrans-61.6-49.3175.4-84.40000112.1L216 R219 C230 L231 Q237 K238L216-C234 HydrophobicContact CD2-CB 3.75Å; L216-C234 WeakPolarHBondContact CD2-SG 3.45Å; R219-C234 WeakPolarHBondContact CD-SG 3.48Å; R219-C234 PolarHBondContact NE-SG 3Å; C230-C234 VanDerWaalsContact O-CB 3.3Å; C230-C234 WeakPolarHBondContact O-CB 3.49Å; C230-C234 PolarHBondContact O-N 3.47Å; C230-C234 PolarHBondContact O-SG 2.92Å; C230-C234 VanDerWaalsContact O-SG 3.41Å; L231-C234 PolarHBondContact O-N 3.42Å; C234-Q237 PolarHBondContact O-N 3.41Å; C234-K238 WeakPolarHBondContact O-CB 3.3Å; C234-K238 WeakPolarHBondContact O-CG 3.49Å; C234-K238 PolarHBondContact O-N 3.12Å
235L87.7Confident85.6Confident103 Ų10392.7 Ų92.754%0.53946%0.46SS..Hα-helixtrans-62.9-44.7179.9-70.9176000110.9L231 K232 Q237 K238 W239L231-L235 HydrophobicContact CD1-CD1 3.9Å; L231-L235 HydrophobicContact CD1-CG 4Å; L231-L235 HydrophobicContact CG-CD1 3.84Å; L231-L235 HydrophobicContact CG-CG 4.31Å; L231-L235 WeakPolarHBondContact O-CB 3.3Å; L231-L235 VanDerWaalsContact O-CG 3.3Å; L231-L235 WeakPolarHBondContact O-CG 3.36Å; L231-L235 PolarHBondContact O-N 3.45Å; K232-L235 PolarHBondContact O-N 2.9Å; L235-Q237 PolarHBondContact O-N 3.5Å; L235-K238 PolarHBondContact O-N 3.36Å; L235-W239 VanDerWaalsContact O-CB 3.3Å; L235-W239 WeakPolarHBondContact O-CB 3.3Å; L235-W239 PolarHBondContact O-N 3.03Å
236F89.5Confident84.1Confident114 Ų11495.7 Ų95.750%0.548%0.484SS..Hα-helixtrans-61.9-44.1178.4-171.8-108.3000112.1K232 W239 Q240K232-F236 VanDerWaalsContact O-CB 3.28Å; K232-F236 WeakPolarHBondContact O-CB 3.34Å; K232-F236 PolarHBondContact O-N 3.32Å; F236-W239 HydrophobicContact CD2-CE3 4.22Å; F236-W239 HydrophobicContact CE2-CE3 4.06Å; F236-W239 HydrophobicContact CE2-CZ3 4.02Å; F236-W239 PolarHBondContact O-N 3.15Å; F236-Q240 HydrophobicContact CD1-CG 4.3Å; F236-Q240 HydrophobicContact CE1-CG 4.03Å; F236-Q240 HydrophobicContact CZ-CG 4.18Å; F236-Q240 WeakPolarHBondContact O-CB 3.41Å; F236-Q240 WeakPolarHBondContact O-CG 3.41Å; F236-Q240 PolarHBondContact O-N 3.37Å
237Q86.1Confident82.4Confident71 Ų7198 Ų9833%0.33251%0.506SS..Hα-helixtrans-67.9-35.4176.5-74.3177.30.200113.4R219 T233 C234 L235 R241R219-Q237 VanDerWaalsContact CZ-OE1 3.23Å; T233-Q237 WeakPolarHBondContact O-CB 3.3Å; T233-Q237 VanDerWaalsContact O-CG 3.3Å; T233-Q237 WeakPolarHBondContact O-CG 3.28Å; T233-Q237 PolarHBondContact O-N 2.91Å; C234-Q237 PolarHBondContact O-N 3.41Å; L235-Q237 PolarHBondContact O-N 3.5Å; Q237-R241 PolarHBondContact O-N 2.76Å; Q237-R241 VanDerWaalsContact O-N 3.15Å; Q237-R241 PolarHBondContact O-NE 2.99Å; Q237-R241 VanDerWaalsContact O-NE 3.16Å
238K86.2Confident80.5Confident78 Ų7896.6 Ų96.634%0.33951%0.509SS..Hα-helixtrans-67-43.2173.8-78.6-176.9-179.1173.70110.3E215 C234 L235 R241 M242E215-K238 WeakPolarHBondContact OE2-CE 3.42Å; E215-K238 IonicContact OE2-NZ 3.36Å; E215-K238 PolarHBondContact OE2-NZ 3.31Å; C234-K238 WeakPolarHBondContact O-CB 3.3Å; C234-K238 WeakPolarHBondContact O-CG 3.49Å; C234-K238 PolarHBondContact O-N 3.12Å; L235-K238 PolarHBondContact O-N 3.36Å; K238-R241 PolarHBondContact O-N 3.26Å; K238-M242 HydrophobicContact CB-CE 4.4Å; K238-M242 WeakPolarHBondContact O-CE 3.42Å; K238-M242 WeakPolarHBondContact O-CG 3.47Å; K238-M242 PolarHBondContact O-N 2.89Å
239W89.6Confident78.3Confident138 Ų13894.6 Ų94.652%0.52351%0.508SS..Hα-helixtrans-60.8-48.9175.1177.581000111.9L235 F236 R241 M242 V243L235-W239 VanDerWaalsContact O-CB 3.3Å; L235-W239 WeakPolarHBondContact O-CB 3.3Å; L235-W239 PolarHBondContact O-N 3.03Å; F236-W239 HydrophobicContact CD2-CE3 4.22Å; F236-W239 HydrophobicContact CE2-CE3 4.06Å; F236-W239 HydrophobicContact CE2-CZ3 4.02Å; F236-W239 PolarHBondContact O-N 3.15Å; W239-R241 VanDerWaalsContact C-N 3.26Å; W239-R241 PolarHBondContact O-N 2.72Å; W239-M242 PolarHBondContact O-N 3.24Å; W239-V243 HydrophobicContact CD2-CG2 4.18Å; W239-V243 HydrophobicContact CG-CG2 4.32Å; W239-V243 HydrophobicContact CZ2-CB 4.48Å; W239-V243 HydrophobicContact CZ2-CG1 4.37Å; W239-V243 HydrophobicContact CZ2-CG2 4.06Å; W239-V243 WeakPolarHBondContact O-CG2 3.36Å; W239-V243 PolarHBondContact O-N 3.47Å
240Q88.7Confident76.1Confident93 Ų9397.2 Ų97.244%0.43553%0.529SS..Hα-helixtrans-56.4-40175.8-76.9-177.5-43.600112.3F236 A244F236-Q240 HydrophobicContact CD1-CG 4.3Å; F236-Q240 HydrophobicContact CE1-CG 4.03Å; F236-Q240 HydrophobicContact CZ-CG 4.18Å; F236-Q240 WeakPolarHBondContact O-CB 3.41Å; F236-Q240 WeakPolarHBondContact O-CG 3.41Å; F236-Q240 PolarHBondContact O-N 3.37Å; Q240-A244 WeakPolarHBondContact O-CB 3.42Å; Q240-A244 PolarHBondContact O-N 2.89Å
241R85.7Confident73.7Confident153 Ų153105.3 Ų105.358%0.57757%0.567SS**Hα-helixtrans-68.3-31.5175.8-81.7179.5-84.1151.9-14.6113.8Q237 K238 W239Q237-R241 PolarHBondContact O-N 2.76Å; Q237-R241 VanDerWaalsContact O-N 3.15Å; Q237-R241 PolarHBondContact O-NE 2.99Å; Q237-R241 VanDerWaalsContact O-NE 3.16Å; K238-R241 PolarHBondContact O-N 3.26Å; W239-R241 VanDerWaalsContact C-N 3.26Å; W239-R241 PolarHBondContact O-N 2.72Å
242M81.6Confident71.1Confident147 Ų147108.6 Ų108.672%0.72459%0.585SS**Hα-helixtrans-79.6-32177.9-72.8-175.2-71.400112.7K238 W239K238-M242 HydrophobicContact CB-CE 4.4Å; K238-M242 WeakPolarHBondContact O-CE 3.42Å; K238-M242 WeakPolarHBondContact O-CG 3.47Å; K238-M242 PolarHBondContact O-N 2.89Å; W239-M242 PolarHBondContact O-N 3.24Å
243V82.8Confident68.3Low88 Ų88110.4 Ų110.453%0.53359%0.593SS.*Hα-helixtrans-93.1-17.5-178.3-179.20000112.3W239 P245W239-V243 HydrophobicContact CD2-CG2 4.18Å; W239-V243 HydrophobicContact CG-CG2 4.32Å; W239-V243 HydrophobicContact CZ2-CB 4.48Å; W239-V243 HydrophobicContact CZ2-CG1 4.37Å; W239-V243 HydrophobicContact CZ2-CG2 4.06Å; W239-V243 WeakPolarHBondContact O-CG2 3.36Å; W239-V243 PolarHBondContact O-N 3.47Å; V243-P245 WeakPolarHBondContact O-CD 3.2Å
244A73.3Confident65.9Low56 Ų56116.8 Ų116.846%0.46362%0.616SS.*SBendtrans-64.1125.1172.100000110.2Q240Q240-A244 WeakPolarHBondContact O-CB 3.42Å; Q240-A244 PolarHBondContact O-N 2.89Å
245P60.5Low63.4Low111 Ų111121.5 Ų121.572%0.72165%0.645SS**  trans-55.6142.8169.7-19.730.4000109.3V243 A247V243-P245 WeakPolarHBondContact O-CD 3.2Å; P245-A247 VanDerWaalsContact C-N 3.34Å; P245-A247 PolarHBondContact O-N 3.48Å
246P57.9Low60.7Low131 Ų131124.4 Ų124.485%0.85166%0.655SS**  trans-59.2103.4170.923.2-29.9000107.2G248P246-G248 PolarHBondContact O-N 3.4Å
247A53.5Low58.2Low97 Ų97126 Ų12680%0.80267%0.668SS**  trans-59.5110.1-178.200000107.4P245P245-A247 VanDerWaalsContact C-N 3.34Å; P245-A247 PolarHBondContact O-N 3.48Å
248G46.2Very low55.6Low65 Ų65131.1 Ų131.167%0.6769%0.689SS**  trans-50.3145.3166.800000109.4P246P246-G248 PolarHBondContact O-N 3.4Å
249H42.6Very low53.3Low169 Ų169133.1 Ų133.178%0.78271%0.71SS**  trans-25.8139.2171.1-78-82.4000113.9Q251H249-Q251 VanDerWaalsContact C-N 3.25Å; H249-Q251 PolarHBondContact O-N 3.5Å
250P42.8Very low50.5Low128 Ų128133.1 Ų133.183%0.83173%0.726SS**  trans-65.793165.628.4-30.4000108.1N252P250-N252 PolarHBondContact O-N 3.29Å
251Q38.4Very low47.8Very low171 Ų171136 Ų13680%0.79974%0.744SS**  trans-67.5113.2165.2-84.9-89.3-10.300106.8H249 F253H249-Q251 VanDerWaalsContact C-N 3.25Å; H249-Q251 PolarHBondContact O-N 3.5Å; Q251-F253 PolarHBondContact O-N 2.98Å
252N34.5Very low45.4Very low148 Ų148138 Ų13879%0.79176%0.76SS**  trans-48.8104.6166.1-81-41.8000109.6P250 K254P250-N252 PolarHBondContact O-N 3.29Å; N252-K254 PolarHBondContact O-N 3.45Å
253F33.4Very low43.1Very low195 Ų195139.6 Ų139.686%0.85576%0.762SS**  trans-72.584.2164.5-126.2-91.6000107.9Q251Q251-F253 PolarHBondContact O-N 2.98Å
254K36Very low40.6Very low191 Ų191145 Ų14583%0.8378%0.779SS**  trans-87.599.1158.9-92.4-173.6174.4-1790107.3N252 E256N252-K254 PolarHBondContact O-N 3.45Å; K254-E256 PolarHBondContact O-N 3.08Å; K254-E256 VanDerWaalsContact O-N 3.17Å
255T35.6Very low38.5Very low104 Ų104146.4 Ų146.464%0.63880%0.799SS**  trans-67.5105.9165.7-47.30000108.2I257T255-I257 HydrophobicContact CG2-CG1 4.36Å; T255-I257 PolarHBondContact O-N 2.9Å
256E30.9Very low37.1Very low164 Ų164153.1 Ų153.177%0.76681%0.81SS**  trans-59.1118.3165.1-73.2-94.7143.100109.5K254K254-E256 PolarHBondContact O-N 3.08Å; K254-E256 VanDerWaalsContact O-N 3.17Å
257I37.2Very low35.9Very low149 Ų149151 Ų15176%0.76480%0.803SS**  trans-125.7114.2163.2-60.5177.1000106.8T255T255-I257 HydrophobicContact CG2-CG1 4.36Å; T255-I257 PolarHBondContact O-N 2.9Å
258F29.7Very low34.8Very low178 Ų178156.4 Ų156.478%0.78181%0.808SS**  trans-54.6151.8173.9-79.2-96.2000112.5
259P38.8Very low34.1Very low119 Ų119157.9 Ų157.977%0.77381%0.814SS**  -135.7166.1117.932-16.9000114.8
260T31.6Very low33.4Very low139 Ų139158.1 Ų158.185%0.85382%0.816SS**  trans-78.2158.7-165.142.30000115.5
261N30.6Very low33.6Very low153 Ų153157 Ų15782%0.81881%0.808SS**  trans-41.5138.3179.8-103.2-40.2000118
262H36.1Very low33.1Very low196 Ų196153.4 Ų153.491%0.90781%0.808SS**  trans-147.3132.4134.4-95.6-68.5000113.5
263K32.6Very low33Very low179 Ų179156.2 Ų156.278%0.77881%0.807SS**  trans-35.9151177.5-92.4167.4175.1166.50121.3
264K30.9Very low32.9Very low203 Ų203153.6 Ų153.688%0.88380%0.798SS**  trans86.7119.2137.6-80.9176.6179.2-176.50119.4
265G29.3Very low32.5Very low85 Ų85149.4 Ų149.488%0.87679%0.788SS**  trans167.1104.915700000113.3
266R29.7Very low32.1Very low252 Ų252150 Ų15095%0.95179%0.792SS**  trans-91.7133-173.7-174.3-174.5-172.3-171.33109.6
267A33Very low32.2Very low86 Ų86147.8 Ų147.871%0.71179%0.79SS**  trans162.1124.913400000115.7
268K31.6Very low31.9Very low211 Ų211149.9 Ų149.992%0.91779%0.793SS**  trans69.7121.2135.7-66.1-174.3176.5-174.50122.4
269A30.2Very low31.9Very low95 Ų95152.7 Ų152.779%0.78580%0.799SS**  trans-66.1165.9150.700000110.6
270E29.5Very low31.8Very low175 Ų175157.8 Ų157.882%0.81880%0.802SS**  cis-165.9-158.616.9-156.2-160.4160.800107.3
271P45.2Very low31.8Very low105 Ų105159.3 Ų159.368%0.68280%0.797SS**  -105.7177-11239.6-22.4000115.9
272A28.6Very low32Very low95 Ų95163.3 Ų163.379%0.78580%0.801SS**  163133.9129.700000116.3
273R31.8Very low31.8Very low206 Ų206164 Ų16478%0.77780%0.802SS**  trans60.3128.7135.6-94.7-170.9165.3-179.4-5124.7
274Q31.1Very low31.7Very low140 Ų140162.9 Ų162.965%0.65480%0.804SS**  59.6144.9124.9-73.1176.8-0.900118.1
275T27.7Very low31.8Very low104 Ų104158.7 Ų158.764%0.63880%0.8SS**  cis-179.7150.320.6180000109.1
276T28.8Very low31.9Very low116 Ų116158.9 Ų158.971%0.71279%0.794SS**  trans69.1137.4137.764.90000124.8
277T32.4Very low31.9Very low118 Ų118152.5 Ų152.572%0.72479%0.788SS**  trans112.3111136.864.30000121.8
278K30Very low31.7Very low192 Ų192154.1 Ų154.184%0.83579%0.794SS**  55.6116.9122.7-65.2-178.1178174.10122.1
279R29.6Very low31.7Very low237 Ų237148 Ų14889%0.89478%0.782SS**  69.7118.8115.1-171.4-175.9168.6-167.3-2.7120.5
280R37.2Very low31.7Very low226 Ų226151.1 Ų151.185%0.85379%0.786SS**  trans175150.4137.9-107.6178.1167.9172.4-2.4108.6
281K32.5Very low31.8Very low171 Ų171147.2 Ų147.274%0.74378%0.778SS**  cis-171.1133.36.4-175.9173.8176.7-174.90109.9
282R35Very low31Very low237 Ų237147.8 Ų147.889%0.89479%0.785SS**  trans8.7143.8147.7-69.2175.9165.2175.2-5.5121.7
283K31.7Very low31.2Very low212 Ų212150.3 Ų150.392%0.92279%0.79SS**  -156.7137.2112.2-115.8-179.8179-175.90113.6
284N29.4Very low31.1Very low155 Ų155144 Ų14483%0.82979%0.789SS**  trans-93.7154.9170.3-97.313.8000110.4
285S32.7Very low31Very low114 Ų114143.9 Ų143.980%0.79780%0.798SS**  trans160113.6133.453.40000108.5
286A33Very low31.2Very low90 Ų90144 Ų14474%0.74481%0.809SS**  73.8115.870.800000115.7
287S29Very low31.5Very low118 Ų118142.9 Ų142.983%0.82581%0.812SS**  trans58.7126144.762.10000122
288S29Very low31.5Very low120 Ų120143.3 Ų143.384%0.83982%0.82SS**  -179.5141.498.5-164.80000112.2
289A31Very low31.7Very low82 Ų82143.9 Ų143.968%0.67882%0.822SS**  trans-78152.8161.400000110.8
290N30.1Very low31.8Very low160 Ų160142.8 Ų142.886%0.85682%0.824SS**  -170.9153.3123.6-12117.4000113.4
291S32.6Very low31.7Very low93 Ų93143.6 Ų143.665%0.6583%0.827SS**  trans-60.4156.5177.253.40000116.9
292S28.6Very low31.8Very low118 Ų118140.8 Ų140.883%0.82583%0.829SS**  157.4151100.564.70000113.6
293V32.5Very low32Very low147 Ų147135.5 Ų135.589%0.89183%0.825SS**  trans-61.7150-179.3176.90000113.8
294G28.8Very low32.1Very low74 Ų74129.8 Ų129.876%0.76382%0.817SS**  trans177112.7165.300000114.9
295T30.5Very low32.4Very low138 Ų138128.5 Ų128.585%0.84782%0.815SS**  trans-67.2151.1179.446.50000115.8
296A31.6Very low32.4Very low105 Ų105130.4 Ų130.487%0.86882%0.817SS**  162.6141.8123.700000113.1
297A33.5Very low32.5Very low94 Ų94135.1 Ų135.178%0.77782%0.821SS**  trans-79.7151.1179.100000113.5
298S32.7Very low32.5Very low127 Ų127134.8 Ų134.889%0.88882%0.819SS**  trans-171.2136.6142.5-82.90000113.3
299K33.9Very low32.8Very low204 Ų204137 Ų13789%0.88782%0.82SS**  trans-50.8148.1177.2-70.7163.6170.6167.80114.7
300K33.3Very low32.9Very low213 Ų213138.2 Ų138.293%0.92682%0.823SS**  -170.9159.2126.9-102.6166.4-171.6-176.40113
301R34.6Very low33.1Very low244 Ų244135.5 Ų135.592%0.92182%0.817SS**  trans-76161.9-160.5-72.8161150.8-168.4-7.2115
302S34.9Very low33.2Very low112 Ų112139.6 Ų139.678%0.78383%0.826SS**  trans-49.1171.3175.7-28.30000116.5
303P39.1Very low33.6Very low125 Ų125141.4 Ų141.481%0.81283%0.826SS**  -142.7158.280.331.6-11.3000117
304A33.3Very low34.3Very low92 Ų92140.7 Ų140.776%0.7682%0.822SS**  trans-66.9148.5175.500000113
305T37Very low35.2Very low128 Ų128145.9 Ų145.979%0.78583%0.829SS**  trans-111.3105.6170.515.20000109
306N32.3Very low36.2Very low154 Ų154145.5 Ų145.582%0.82483%0.826SS**  trans-81.1124.4163-84.6-9.5000108.2
307F33.5Very low36.8Very low190 Ų190147.1 Ų147.183%0.83383%0.825SS**  trans-108.7113.6164.2-104.2-87.1000108.8
308S30Very low37.3Very low111 Ų111145.5 Ų145.578%0.77682%0.817SS**  trans-88.1129168.4-46.30000108.5
309L35.4Very low38.1Very low166 Ų166148.2 Ų148.287%0.86982%0.816SS**  trans-119.8126.6166.7-78.3172.1000109.9
310S32.1Very low38.6Very low107 Ų107144.6 Ų144.675%0.74881%0.813SS**  trans-80.6132.3178.549.10000112.2
311S35.3Very low39.1Very low104 Ų104140.7 Ų140.773%0.72781%0.807SS**  trans41.2108.4139.1-450000119.9
312Q34.4Very low39.9Very low179 Ų179137.5 Ų137.584%0.83681%0.807SS**  162.3141.9104.1-94.7169-19.100111.7
313D37.6Very low40.6Very low155 Ų155141 Ų14183%0.82981%0.814SS**  trans77.175.6163.9-53.4-18.5000119.4
314V45.9Very low41Very low133 Ų133138.8 Ų138.881%0.80681%0.813SS**  trans-110.3112.7158-179.50000108.3V316V314-V316 PolarHBondContact O-N 3.22Å; V314-V316 VanDerWaalsContact O-N 3.15Å
315M49.3Very low41.4Very low182 Ų182137.9 Ų137.990%0.89781%0.813SS**  trans-68.4105.6167.9-74.1-84.6-76.500108.7V317M315-V317 PolarHBondContact O-N 3.45Å
316V50.3Low42.1Very low130 Ų130141.1 Ų141.179%0.78882%0.819SS**  trans-72.8114.2172.9176.80000108.3V314V314-V316 PolarHBondContact O-N 3.22Å; V314-V316 VanDerWaalsContact O-N 3.15Å
317V45.5Very low42.7Very low140 Ų140143.2 Ų143.285%0.84882%0.821SS**PPolyproline II helixtrans-87.2119167.7-179.10000107.2M315M315-V317 PolarHBondContact O-N 3.45Å
318G43.5Very low43.5Very low59 Ų59137.1 Ų137.161%0.60881%0.812SS**PPolyproline II helixtrans-62.5153.2-176.700000113.8
319E48.2Very low44.3Very low185 Ų185139.9 Ų139.986%0.86482%0.818SS**PPolyproline II helixtrans-58.5136.9174.6-60-178.9158.200111.3T321E319-T321 PolarHBondContact O-N 2.97Å
320P44.6Very low45.2Very low127 Ų127140.8 Ų140.883%0.82582%0.818SS**PPolyproline II helixtrans-72121.9167.5-10.326.3000109.5L322P320-L322 PolarHBondContact O-N 2.95Å
321T45.7Very low46.2Very low132 Ų132141.2 Ų141.281%0.8181%0.812SS**PPolyproline II helixtrans-55.3126.2175.3-47.20000111.5E319 M323E319-T321 PolarHBondContact O-N 2.97Å; T321-M323 PolarHBondContact O-N 3.12Å; T321-M323 VanDerWaalsContact O-N 3.15Å
322L50.8Low47.2Very low176 Ų176144.6 Ų144.692%0.92182%0.816SS**  trans-59.7100.4167.9-170.178.4000109.6P320P320-L322 PolarHBondContact O-N 2.95Å
323M48.8Very low48.3Very low186 Ų186145.9 Ų145.992%0.91681%0.813SS**  trans-108.1104.9173.5-172.3178.5156.400110T321T321-M323 PolarHBondContact O-N 3.12Å; T321-M323 VanDerWaalsContact O-N 3.15Å
324G47.4Very low49Very low78 Ų78145.7 Ų145.780%0.80481%0.811SS**  trans67.196.1136.100000118
325G42.1Very low49.3Very low73 Ų73147.3 Ų147.375%0.75381%0.814SS**  trans-169.774.8163.600000109.9F327G325-F327 PolarHBondContact O-N 3.38Å; G325-F327 VanDerWaalsContact O-N 3.16Å
326E51.8Low49.6Very low197 Ų197144.4 Ų144.492%0.92181%0.806SS**  trans-64106.7166.5-65178.3176.300107.6
327F44.3Very low49.9Very low198 Ų198149.5 Ų149.587%0.86881%0.812SS**  trans-126.6112.3165.9-125.1-95.7000107.6G325G325-F327 PolarHBondContact O-N 3.38Å; G325-F327 VanDerWaalsContact O-N 3.16Å
328G49.9Very low50.3Low61 Ų61150.4 Ų150.463%0.62981%0.811SS**  trans-64.8158.2-168.100000114.3E330G328-E330 PolarHBondContact O-N 2.65Å
329D48.3Very low50.8Low170 Ų170156 Ų15691%0.90982%0.821SS**SBendtrans-65.343.8170.5-59.8-44.3000112.7
330E53.2Low50.6Low184 Ų184154.4 Ų154.486%0.8682%0.819SS**  trans-121.314.3-171.7-79.2-151.5155.200116G328G328-E330 PolarHBondContact O-N 2.65Å
331D53.2Low50.8Low117 Ų117154.9 Ų154.963%0.62682%0.819SS**  trans-120.739.6172.6-105.8-26.7000113R333D331-R333 PolarHBondContact O-N 3.21Å; D331-R333 IonicContact OD1-CZ 3.33Å; D331-R333 IonicContact OD1-NE 3.54Å; D331-R333 PolarHBondContact OD1-NE 2.6Å; D331-R333 IonicContact OD1-NH2 2.8Å
332E56.1Low50.8Low175 Ų175157.5 Ų157.582%0.81882%0.822SS**  trans-68.168.3156.6-68.2-166.4172.400110.4L334E332-L334 VanDerWaalsContact C-N 3.27Å; E332-L334 PolarHBondContact O-N 3.35Å
333R58.2Low50.7Low206 Ų206159.3 Ų159.378%0.77782%0.818SS**  trans-7489.6167.4-68.5-178.5-175.8-118.5-0.5108.6D331 I335D331-R333 PolarHBondContact O-N 3.21Å; D331-R333 IonicContact OD1-CZ 3.33Å; D331-R333 IonicContact OD1-NE 3.54Å; D331-R333 PolarHBondContact OD1-NE 2.6Å; D331-R333 IonicContact OD1-NH2 2.8Å; R333-I335 PolarHBondContact O-N 3.17Å
334L51.6Low50.4Low151 Ų151156.8 Ų156.879%0.79181%0.808SS**  trans-43.1106.5161.9-72.8146.4000109.2E332 T336E332-L334 VanDerWaalsContact C-N 3.27Å; E332-L334 PolarHBondContact O-N 3.35Å; L334-T336 VanDerWaalsContact C-N 3.32Å; L334-T336 PolarHBondContact O-N 2.93Å
335I53Low50.5Low166 Ų166157 Ų15785%0.85180%0.803SS**  trans-67.197.5167-63.5171.6000106.3R333 R337R333-I335 PolarHBondContact O-N 3.17Å; I335-R337 PolarHBondContact O-N 2.96Å
336T55.1Low50.8Low122 Ų122158.3 Ų158.375%0.74880%0.796SS**  trans-65.8121.4172.2-31.80000107.8L334 L338L334-T336 VanDerWaalsContact C-N 3.32Å; L334-T336 PolarHBondContact O-N 2.93Å; T336-L338 PolarHBondContact O-N 3.36Å; T336-L338 VanDerWaalsContact O-N 3.08Å
337R57.3Low50.2Low237 Ų237157.3 Ų157.389%0.89480%0.797SS**  trans-62.7110.1174.4-66.4171.190.2169.44.6107.5I335 E339I335-R337 PolarHBondContact O-N 2.96Å; R337-E339 PolarHBondContact O-N 2.87Å
338L52.9Low49.8Very low159 Ų159151.4 Ų151.483%0.83279%0.792SS**  trans-70.7109.6167.8-130.190.9000107.5T336T336-L338 PolarHBondContact O-N 3.36Å; T336-L338 VanDerWaalsContact O-N 3.08Å
339E53.5Low49.5Very low175 Ų175156.6 Ų156.682%0.81880%0.804SS**  trans-80.1125.3164.262.1-165.2172.400108.2R337 T341R337-E339 PolarHBondContact O-N 2.87Å; E339-T341 PolarHBondContact O-N 3.14Å
340N45.2Very low49.1Very low153 Ų153155.5 Ų155.582%0.81880%0.799SS**  trans-70.8113.8174.6-76.8-18.3000108Q342N340-Q342 PolarHBondContact O-N 2.87Å
341T48.4Very low48.5Very low136 Ų136154.7 Ų154.783%0.83480%0.8SS**PPolyproline II helixtrans-59.6127.6167.733.80000109.5E339 Y343E339-T341 PolarHBondContact O-N 3.14Å; T341-Y343 PolarHBondContact O-N 3.39Å
342Q46.3Very low48Very low188 Ų188157.2 Ų157.288%0.87981%0.808SS**PPolyproline II helixtrans-61.4126.3174.2-166.8170.8-7.700108.7N340 D344N340-Q342 PolarHBondContact O-N 2.87Å; Q342-D344 PolarHBondContact O-N 3.41Å
343Y48.4Very low47.1Very low213 Ų213155.7 Ų155.784%0.83581%0.806SS**PPolyproline II helixtrans-61.4119.3176.5-172.3-93.1000109.6T341 A345T341-Y343 PolarHBondContact O-N 3.39Å; Y343-A345 HydrophobicContact CE1-CB 4.5Å
344D42.9Very low45.9Very low133 Ų133153.6 Ų153.671%0.71181%0.81SS**PPolyproline II helixtrans-101.6127.2175.2-165.60.2000109.4Q342 T346Q342-D344 PolarHBondContact O-N 3.41Å; D344-T346 PolarHBondContact O-N 3.15Å
345A48.7Very low45.1Very low83 Ų83156 Ų15669%0.68681%0.814SS**  trans-96.529.8-164.900000113.6Y343Y343-A345 HydrophobicContact CE1-CB 4.5Å
346T49.3Very low44.1Very low101 Ų101154.3 Ų154.362%0.6281%0.807SS**  trans-145.288.2179.8450000111.4D344D344-T346 PolarHBondContact O-N 3.15Å
347N37.4Very low43Very low176 Ų176154.6 Ų154.694%0.94181%0.814SS**  trans-173.7126.5146.6-102.2-11.4000113.9
348G36.4Very low41.8Very low73 Ų73148 Ų14875%0.75380%0.804SS**  trans78.6103.2163.100000114.6
349L44Very low41.6Very low170 Ų170146.4 Ų146.489%0.8980%0.803SS**  cis46.3121.146.1-77.9171.7000113.9
350D40.2Very low40.5Very low148 Ų148142.1 Ų142.179%0.79180%0.798SS**  trans74.6106.3173.7-67.4-13.9000118.3
351D41.3Very low40Very low166 Ų166143.5 Ų143.589%0.88880%0.804SS**  -169.3123.7100.2-105.7-24.2000110.8
352E41.9Very low39.1Very low171 Ų171140.6 Ų140.680%0.79980%0.802SS**  trans-90.9162.9163.3-69.2-125.8140.100109.9
353D36.5Very low38.3Very low142 Ų142139.6 Ų139.676%0.75980%0.802SS**  trans76.3108.6166.8-59.3-40.1000119
354D33.1Very low37.5Very low163 Ų163136.7 Ų136.787%0.87280%0.801SS**  -178.6120.597.4-109.9-33.1000112
355F35.3Very low37Very low200 Ų200134.9 Ų134.988%0.87781%0.805SS**  trans-101.9147.2168.7-132.9-93.7000108.1
356N32.1Very low36.5Very low131 Ų131136 Ų13670%0.70181%0.805SS**  trans120.5104.2141.8-151.319.4000117.1
357S31.8Very low35.5Very low128 Ų128143.9 Ų143.990%0.89582%0.824SS**  trans-159.6114143.2-77.40000110.1
358S32.1Very low35.2Very low99 Ų99141.3 Ų141.369%0.69282%0.82SS**  trans-86-162-177.7-56.30000112.1
359P49.3Very low35Very low125 Ų125143.1 Ų143.181%0.81282%0.82SS**  cis-139.3169.2-11.833.1-11.4000116.3
360A29.8Very low34.7Very low86 Ų86144.6 Ų144.671%0.71182%0.82SS**  169.4120.9124.900000114.5
361L34.5Very low34.5Very low181 Ų181143.1 Ų143.195%0.94882%0.818SS**  trans55.2118147.1-61.8159.3000118.4
362G28.9Very low34.5Very low75 Ų75141.6 Ų141.677%0.77382%0.817SS**  cis126.6108.816.900000109.4
363N29.3Very low34.1Very low168 Ų168138.1 Ų138.190%0.89882%0.818SS**  -173.1141.8129.2-135.97.8000114.1
364N32Very low33.9Very low152 Ų152135.8 Ų135.881%0.81382%0.819SS**  trans-72.2155.1-174.9-79-50.5000115.8
365A33.8Very low33.9Very low94 Ų94136.3 Ų136.378%0.77782%0.816SS**  -176.7167.5117.700000111.6
366P37.1Very low33.8Very low108 Ų108133.6 Ų133.670%0.70181%0.81SS**  -138.3113.6-11333.2-9.1000114.4
367W29.2Very low33.8Very low265 Ų265133.2 Ų133.2100%1.00482%0.818SS**  trans-163.992.3153.9-98.8-38.8000111.1
368S30.9Very low33.9Very low123 Ų123136.6 Ų136.686%0.8682%0.817SS**  trans-137.5102.2162.445.80000108.3
369S32.8Very low34.8Very low110 Ų110136.9 Ų136.977%0.76982%0.816SS**  trans-127100165.854.10000108.2
370K36Very low33.9Very low202 Ų202140 Ų14088%0.87882%0.82SS**PPolyproline II helixtrans-71.1146.6160.3-82.3-179175177.30109
371P37.4Very low34Very low116 Ų116140.3 Ų140.375%0.75382%0.817SS**PPolyproline II helixtrans-80.5154.8172.633.1-31.4000111.3
372P40.1Very low34.1Very low134 Ų134137.6 Ų137.687%0.8781%0.808SS**PPolyproline II helixtrans-85.8157.3174.734.3-31.7000112.3
373A33.2Very low34.8Very low99 Ų99138.1 Ų138.182%0.81881%0.805SS**  trans-114.7166.5174.500000111.5
374A33.9Very low35.5Very low93 Ų93136.2 Ų136.277%0.76980%0.802SS**  trans95.7134.8176.600000114.1
375Q32.3Very low36Very low174 Ų174137.7 Ų137.781%0.81380%0.804SS**  cis-166.2150.327.7-138.7165.26.400111.7
376D32.9Very low36.6Very low142 Ų142138.8 Ų138.876%0.75980%0.803SS**  trans23.7127.1154.7-75.3-56.4000123.3
377S31.5Very low36.9Very low124 Ų124139.2 Ų139.287%0.86781%0.809SS**  -178.3131.6106.524.30000112.8
378K35.3Very low37.5Very low198 Ų198139.6 Ų139.686%0.86182%0.822SS**  trans-98179.4164-123.7-176.1179.6177.90107.7
379P49.7Very low37.9Very low105 Ų105140.5 Ų140.568%0.68282%0.82SS**  cis-134.4166.3-17.437-20.3000113.4
380E30.4Very low38.1Very low190 Ų190142.1 Ų142.189%0.88882%0.823SS**  trans-165.3145134.7-141.7164122.100113.9
381S32.8Very low38.2Very low94 Ų94138.7 Ų138.766%0.65782%0.82SS**  trans-32.3147.8167.2-1750000115.1
382T36.1Very low38.3Very low123 Ų123140.1 Ų140.176%0.75582%0.823SS**  -179.2143.668.2-45.40000109.4
383A43.4Very low38.2Very low87 Ų87140.4 Ų140.472%0.71982%0.82SS**  trans-66161.8168.200000112.3
384P44.6Very low38.5Very low128 Ų128143.2 Ų143.283%0.83182%0.821SS**  -137.7154.111331.5-15.9000114.9
385Q43.2Very low38.8Very low182 Ų182146.8 Ų146.885%0.8582%0.824SS**  trans-64.7170.1176.1-106.4-174.3-29.600114.3
386P46.1Very low39.3Very low117 Ų117144.7 Ų144.776%0.7683%0.825SS**  trans-84.1164.8-16936.2-34.7000113
387S43.7Very low39.9Very low117 Ų117144.9 Ų144.982%0.81883%0.831SS**  trans-128.3122168.2-63.10000110.4
388Q41.7Very low40.6Very low274 Ų274146.8 Ų146.8100%1.2883%0.827SS**  trans59.80165.1-70.6-170.90.300120.3

Retrieved 388 of 388 residues in 983.2 ms (Link to these results)

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