A0A087XK08_POEFO Loading...

Mitochondrial ribosomal protein S34

AlphaFold DB , UniProt , Accession A0A087XK08, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 219 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
1M43.2Very low74.1Confident243 Ų243173 Ų173100%1.19781%0.813SS**  0106.40-77.1172.8139.200109.8K3M1-K3 PolarHBondContact O-N 2.69Å
2V54.5Low75.4Confident145 Ų145165.8 Ų165.888%0.87978%0.779SS**  trans-77.9113.7178-179.60000108.6K4V2-K4 PolarHBondContact O-N 3.11Å; V2-K4 VanDerWaalsContact O-N 3.16Å
3K59.6Low76.8Confident201 Ų201161.5 Ų161.587%0.87476%0.761SS**  trans-61.6116177.5-73.6179.6177.8176.70109.3M1 K5M1-K3 PolarHBondContact O-N 2.69Å; K3-K5 PolarHBondContact O-N 3.31Å
4K69.9Low78.1Confident204 Ų204152.3 Ų152.389%0.88773%0.726SS**PPolyproline II helixtrans-59.8120.7173.4-72.2-179178.2178.60108.9V2 R6V2-K4 PolarHBondContact O-N 3.11Å; V2-K4 VanDerWaalsContact O-N 3.16Å; K4-R6 PolarHBondContact O-N 3.41Å
5K74.5Confident79Confident203 Ų203151.5 Ų151.588%0.88371%0.713SS**PPolyproline II helixtrans-60.7125176.7-79.1-178.3177.1176.40109.2K3 L7K3-K5 PolarHBondContact O-N 3.31Å; K5-L7 PolarHBondContact O-N 3.28Å
6R77.4Confident80Confident235 Ų235151.6 Ų151.689%0.88771%0.71SS**PPolyproline II helixtrans-65.2126.8172.2-75.7-175175.9-179-3109.5K4 R8K4-R6 PolarHBondContact O-N 3.41Å; R6-R8 PolarHBondContact O-N 3.43Å
7L79Confident80.8Confident161 Ų161147.1 Ų147.184%0.84369%0.69SS**PPolyproline II helixtrans-65.6128.1176-76.5153.1000110.1K5K5-L7 PolarHBondContact O-N 3.28Å
8R84.5Confident81.4Confident201 Ų201147.3 Ų147.376%0.75868%0.684SS**  trans-108.979.6177.7-64.9-176.5180-176.2-1110.1R6 I10 A11 E12R6-R8 PolarHBondContact O-N 3.43Å; R8-I10 VanDerWaalsContact C-N 3.34Å; R8-I10 PolarHBondContact O-N 3.07Å; R8-A11 HydrophobicContact CB-CB 3.89Å; R8-A11 PolarHBondContact O-N 3.14Å; R8-A11 VanDerWaalsContact O-N 3.16Å; R8-E12 PolarHBondContact O-N 3.41Å
9L90.2Very high82Confident135 Ų135142.4 Ų142.471%0.70767%0.671SS**Hα-helixtrans-59.3-41.2-174.9-63.5173.4000113.1A11 E12 M13L9-A11 VanDerWaalsContact C-N 3.31Å; L9-A11 PolarHBondContact O-N 3.19Å; L9-E12 PolarHBondContact O-N 3.46Å; L9-M13 WeakPolarHBondContact O-CB 3.47Å; L9-M13 PolarHBondContact O-N 2.91Å
10I91.4Very high82.6Confident133 Ų133142.4 Ų142.468%0.68267%0.665SS**Hα-helixtrans-63.2-39.1178.7-60.8173.5000111.1R8 M13 A14R8-I10 VanDerWaalsContact C-N 3.34Å; R8-I10 PolarHBondContact O-N 3.07Å; I10-M13 PolarHBondContact O-N 3.13Å; I10-A14 VanDerWaalsContact O-CB 3.29Å; I10-A14 WeakPolarHBondContact O-CB 3.34Å; I10-A14 PolarHBondContact O-N 2.83Å
11A90.9Very high83.1Confident42 Ų42142.9 Ų142.935%0.34766%0.661SS.*Hα-helixtrans-66.8-40.8179.200000111.7R8 L9 R15R8-A11 HydrophobicContact CB-CB 3.89Å; R8-A11 PolarHBondContact O-N 3.14Å; R8-A11 VanDerWaalsContact O-N 3.16Å; L9-A11 VanDerWaalsContact C-N 3.31Å; L9-A11 PolarHBondContact O-N 3.19Å; A11-R15 WeakPolarHBondContact O-CB 3.44Å; A11-R15 PolarHBondContact O-N 2.62Å
12E90.2Very high85.3Confident86 Ų86137.7 Ų137.740%0.40263%0.634SS.*Hα-helixtrans-63.6-45.6174.1-70.5-62.4135.100111.5R8 L9 R15 K16R8-E12 PolarHBondContact O-N 3.41Å; L9-E12 PolarHBondContact O-N 3.46Å; E12-R15 WeakPolarHBondContact O-CB 3.46Å; E12-R15 PolarHBondContact O-N 3.06Å; E12-R15 IonicContact OE1-CZ 2.73Å; E12-R15 IonicContact OE1-NH1 2.69Å; E12-R15 PolarHBondContact OE1-NH1 3.32Å; E12-R15 IonicContact OE1-NH2 3.84Å; E12-R15 PolarHBondContact OE1-NH2 3.24Å; E12-R15 IonicContact OE2-CZ 3.21Å; E12-R15 IonicContact OE2-NH1 2.74Å; E12-R15 PolarHBondContact OE2-NH1 2.97Å; E12-K16 WeakPolarHBondContact O-CG 3.46Å; E12-K16 PolarHBondContact O-N 2.79Å
13M93.6Very high87Confident110 Ų110137.2 Ų137.254%0.54263%0.626SS.*Hα-helixtrans-62-46.7177.5-1751726800111.7L9 I10 R15 K16 I17L9-M13 WeakPolarHBondContact O-CB 3.47Å; L9-M13 PolarHBondContact O-N 2.91Å; I10-M13 PolarHBondContact O-N 3.13Å; M13-R15 VanDerWaalsContact C-N 3.27Å; M13-R15 PolarHBondContact O-N 3.25Å; M13-K16 PolarHBondContact O-N 3.37Å; M13-I17 HydrophobicContact CG-CD1 3.86Å; M13-I17 WeakPolarHBondContact O-CG1 3.11Å; M13-I17 PolarHBondContact O-N 2.77Å
14A93.9Very high88.5Confident33 Ų33134 Ų13427%0.27361%0.612SS.*Hα-helixtrans-63.4-32.1177.100000112.6I10 R18I10-A14 VanDerWaalsContact O-CB 3.29Å; I10-A14 WeakPolarHBondContact O-CB 3.34Å; I10-A14 PolarHBondContact O-N 2.83Å; A14-R18 WeakPolarHBondContact O-CB 3.38Å; A14-R18 WeakPolarHBondContact O-CG 3.35Å; A14-R18 PolarHBondContact O-N 3.2Å; A14-R18 VanDerWaalsContact O-N 3.09Å; A14-R18 PolarHBondContact O-NE 3.47Å; A14-R18 VanDerWaalsContact O-NE 3.11Å
15R91.8Very high89.3Confident140 Ų140131.4 Ų131.453%0.52860%0.601SS.*Hα-helixtrans-67.4-46.8174.3-165.8-171.4-56.7131.88.9111A11 E12 M13 R18 A19A11-R15 WeakPolarHBondContact O-CB 3.44Å; A11-R15 PolarHBondContact O-N 2.62Å; E12-R15 WeakPolarHBondContact O-CB 3.46Å; E12-R15 PolarHBondContact O-N 3.06Å; E12-R15 IonicContact OE1-CZ 2.73Å; E12-R15 IonicContact OE1-NH1 2.69Å; E12-R15 PolarHBondContact OE1-NH1 3.32Å; E12-R15 IonicContact OE1-NH2 3.84Å; E12-R15 PolarHBondContact OE1-NH2 3.24Å; E12-R15 IonicContact OE2-CZ 3.21Å; E12-R15 IonicContact OE2-NH1 2.74Å; E12-R15 PolarHBondContact OE2-NH1 2.97Å; M13-R15 VanDerWaalsContact C-N 3.27Å; M13-R15 PolarHBondContact O-N 3.25Å; R15-R18 PolarHBondContact O-N 2.81Å; R15-A19 PolarHBondContact O-N 3.04Å
16K95Very high89.9Confident154 Ų154130.5 Ų130.567%0.6759%0.592SS**Hα-helixtrans-61.3-45.3177.8-70.9-178.3-179.9-175.80112.1E12 M13 A19 Y20E12-K16 WeakPolarHBondContact O-CG 3.46Å; E12-K16 PolarHBondContact O-N 2.79Å; M13-K16 PolarHBondContact O-N 3.37Å; K16-A19 PolarHBondContact O-N 3.39Å; K16-Y20 WeakPolarHBondContact O-CB 3.32Å; K16-Y20 PolarHBondContact O-N 3.05Å
17I94.4Very high90.4Very high74 Ų74122.1 Ų122.138%0.37957%0.568SS.*Hα-helixtrans-64-42.4179.1-66.9169.3000110.9M13 Y20 R21M13-I17 HydrophobicContact CG-CD1 3.86Å; M13-I17 WeakPolarHBondContact O-CG1 3.11Å; M13-I17 PolarHBondContact O-N 2.77Å; I17-Y20 PolarHBondContact O-N 3.43Å; I17-R21 HydrophobicContact CG2-CG 4.42Å; I17-R21 WeakPolarHBondContact O-CB 3.2Å; I17-R21 WeakPolarHBondContact O-CG 3.43Å; I17-R21 PolarHBondContact O-N 2.93Å
18R91.9Very high90.9Very high152 Ų152118.7 Ų118.757%0.57455%0.546SS*.Hα-helixtrans-61.1-51.1176-82.7-179.2-89.3176.3-12112A14 R15 Y20 R21 E22A14-R18 WeakPolarHBondContact O-CB 3.38Å; A14-R18 WeakPolarHBondContact O-CG 3.35Å; A14-R18 PolarHBondContact O-N 3.2Å; A14-R18 VanDerWaalsContact O-N 3.09Å; A14-R18 PolarHBondContact O-NE 3.47Å; A14-R18 VanDerWaalsContact O-NE 3.11Å; R15-R18 PolarHBondContact O-N 2.81Å; R18-Y20 VanDerWaalsContact C-N 3.29Å; R18-Y20 PolarHBondContact O-N 3.38Å; R18-R21 PolarHBondContact O-N 3.37Å; R18-R21 VanDerWaalsContact O-N 3.12Å; R18-E22 WeakPolarHBondContact O-CB 3.38Å; R18-E22 WeakPolarHBondContact O-CG 3.22Å; R18-E22 PolarHBondContact O-N 2.92Å
19A91.3Very high91Very high53 Ų53111.4 Ų111.444%0.43852%0.521SS..Hα-helixtrans-58.5-40.4178.100000112.5R15 K16 E22 L23R15-A19 PolarHBondContact O-N 3.04Å; K16-A19 PolarHBondContact O-N 3.39Å; A19-E22 PolarHBondContact O-N 2.95Å; A19-L23 WeakPolarHBondContact O-CB 3.41Å; A19-L23 PolarHBondContact O-N 3.2Å
20Y94.5Very high91Very high143 Ų143105.8 Ų105.856%0.56149%0.493SS*.Hα-helixtrans-65-44.5175.6175.9-105.1000112.4K16 I17 R18 L23 K24K16-Y20 WeakPolarHBondContact O-CB 3.32Å; K16-Y20 PolarHBondContact O-N 3.05Å; I17-Y20 PolarHBondContact O-N 3.43Å; R18-Y20 VanDerWaalsContact C-N 3.29Å; R18-Y20 PolarHBondContact O-N 3.38Å; Y20-L23 PolarHBondContact O-N 3.4Å; Y20-K24 HydrophobicContact CE1-CD 4.2Å; Y20-K24 WeakPolarHBondContact O-CB 3.38Å; Y20-K24 PolarHBondContact O-N 3.5Å
21R92.3Very high90.9Very high153 Ų153104.5 Ų104.558%0.57748%0.484SS*.Hα-helixtrans-63.9-42.7176.1-73.6179-178.5-176.30.1111.3I17 R18 L23 K24 F25I17-R21 HydrophobicContact CG2-CG 4.42Å; I17-R21 WeakPolarHBondContact O-CB 3.2Å; I17-R21 WeakPolarHBondContact O-CG 3.43Å; I17-R21 PolarHBondContact O-N 2.93Å; R18-R21 PolarHBondContact O-N 3.37Å; R18-R21 VanDerWaalsContact O-N 3.12Å; R21-L23 VanDerWaalsContact C-N 3.3Å; R21-L23 PolarHBondContact O-N 3.23Å; R21-K24 PolarHBondContact O-N 2.85Å; R21-F25 HydrophobicContact CB-CD2 4.11Å; R21-F25 HydrophobicContact CG-CD2 4.44Å; R21-F25 HydrophobicContact CG-CE2 4.35Å; R21-F25 WeakPolarHBondContact O-CB 3.45Å; R21-F25 VanDerWaalsContact O-CD2 3.28Å; R21-F25 WeakPolarHBondContact O-CD2 3.27Å; R21-F25 PolarHBondContact O-N 3.11Å
22E89.6Confident90.8Very high133 Ų133106.5 Ų106.562%0.62149%0.485SS*.Hα-helixtrans-60.5-39.4175.9-74.7167.2-163.100112.1R18 A19 R26R18-E22 WeakPolarHBondContact O-CB 3.38Å; R18-E22 WeakPolarHBondContact O-CG 3.22Å; R18-E22 PolarHBondContact O-N 2.92Å; A19-E22 PolarHBondContact O-N 2.95Å; E22-R26 WeakPolarHBondContact O-CA 3.47Å; E22-R26 VanDerWaalsContact O-CB 3.31Å; E22-R26 WeakPolarHBondContact O-CB 3.49Å; E22-R26 PolarHBondContact O-N 3.35Å; E22-R26 VanDerWaalsContact O-N 3.14Å
23L90.3Very high90.8Very high136 Ų136104.9 Ų104.971%0.71248%0.475SS*.Hα-helixtrans-67.8-46.8175.5-168.399.7000111.6A19 Y20 R21A19-L23 WeakPolarHBondContact O-CB 3.41Å; A19-L23 PolarHBondContact O-N 3.2Å; Y20-L23 PolarHBondContact O-N 3.4Å; R21-L23 VanDerWaalsContact C-N 3.3Å; R21-L23 PolarHBondContact O-N 3.23Å
24K91.3Very high90.7Very high134 Ų134101 Ų10158%0.58346%0.46SS*.Hα-helixtrans-71.2-40.9-175.3-173.5174.3-179.7177.60112.7Y20 R21Y20-K24 HydrophobicContact CE1-CD 4.2Å; Y20-K24 WeakPolarHBondContact O-CB 3.38Å; Y20-K24 PolarHBondContact O-N 3.5Å; R21-K24 PolarHBondContact O-N 2.85Å
25F87.6Confident90.6Very high149 Ų149100.1 Ų100.165%0.65445%0.451SS*.THydrogen-bonded Turntrans-100.321.3-178.6-60.5-72.6000112.4R21 P27R21-F25 HydrophobicContact CB-CD2 4.11Å; R21-F25 HydrophobicContact CG-CD2 4.44Å; R21-F25 HydrophobicContact CG-CE2 4.35Å; R21-F25 WeakPolarHBondContact O-CB 3.45Å; R21-F25 VanDerWaalsContact O-CD2 3.28Å; R21-F25 WeakPolarHBondContact O-CD2 3.27Å; R21-F25 PolarHBondContact O-N 3.11Å; F25-P27 WeakPolarHBondContact O-CD 3.45Å
26R86.2Confident90.7Very high184 Ų18496.2 Ų96.269%0.69444%0.441SS*.PPolyproline II helixtrans-60.2122.1176.4-172.7173175.4167.1-0.1109.1E22 K28E22-R26 WeakPolarHBondContact O-CA 3.47Å; E22-R26 VanDerWaalsContact O-CB 3.31Å; E22-R26 WeakPolarHBondContact O-CB 3.49Å; E22-R26 PolarHBondContact O-N 3.35Å; E22-R26 VanDerWaalsContact O-N 3.14Å; R26-K28 PolarHBondContact O-N 3.32Å
27P88.3Confident90.5Very high58 Ų5894 Ų9438%0.37743%0.429SS..PPolyproline II helixtrans-61.2137.8177.825-33.1000109.5F25 L44F25-P27 WeakPolarHBondContact O-CD 3.45Å; P27-L44 HydrophobicContact CB-CD2 3.99Å; P27-L44 HydrophobicContact CG-CD2 4.4Å
28K89.2Confident90.4Very high89 Ų8998.1 Ų98.139%0.38745%0.447SS..PPolyproline II helixtrans-71.3166.5176.5-63.3-66.9-177.1173.70110.5R26 S30 Q31 K32 D102 T104R26-K28 PolarHBondContact O-N 3.32Å; K28-S30 VanDerWaalsContact C-N 3.28Å; K28-S30 PolarHBondContact O-N 3.16Å; K28-Q31 HydrophobicContact CB-CG 4.48Å; K28-Q31 VanDerWaalsContact N-OE1 3.16Å; K28-Q31 PolarHBondContact O-N 3.02Å; K28-K32 WeakPolarHBondContact O-CB 3.39Å; K28-K32 PolarHBondContact O-N 2.75Å; K28-D102 WeakPolarHBondContact CB-OD2 3.48Å; K28-T104 HydrophobicContact CD-CG2 4.39Å; K28-T104 HydrophobicContact CG-CG2 4.21Å
29E87.8Confident90.4Very high48 Ų4895.3 Ų95.322%0.22444%0.443CS..Hα-helixtrans-68.9-35.5-178-71.1-178.4172.800110.6K32 Y33 D102 H110 G111 K112E29-K32 PolarHBondContact O-N 3.01Å; E29-Y33 HydrophobicContact CB-CD2 4.14Å; E29-Y33 HydrophobicContact CB-CE2 4.39Å; E29-Y33 HydrophobicContact CG-CE2 4.34Å; E29-Y33 WeakPolarHBondContact O-CB 3.35Å; E29-Y33 VanDerWaalsContact O-CD2 3.25Å; E29-Y33 WeakPolarHBondContact O-CD2 3.37Å; E29-Y33 PolarHBondContact O-N 3.36Å; E29-D102 PolarHBondContact N-OD2 2.92Å; E29-H110 HydrophobicContact CB-CB 4.39Å; E29-G111 WeakPolarHBondContact OE2-CA 3.07Å; E29-G111 PolarHBondContact OE2-N 2.7Å; E29-K112 WeakPolarHBondContact OE1-CE 3.48Å; E29-K112 VanDerWaalsContact OE1-CG 3.26Å; E29-K112 WeakPolarHBondContact OE1-CG 3.41Å
30S89.4Confident90.5Very high18 Ų1892.9 Ų92.913%0.12642%0.422CS..Hα-helixtrans-51.5-54.5168.958.70000112.9K28 K32 A34 D102 T104 H110K28-S30 VanDerWaalsContact C-N 3.28Å; K28-S30 PolarHBondContact O-N 3.16Å; S30-K32 PolarHBondContact O-N 2.9Å; S30-A34 VanDerWaalsContact O-CB 3.31Å; S30-A34 WeakPolarHBondContact O-CB 3.32Å; S30-A34 PolarHBondContact O-N 3.26Å; S30-D102 PolarHBondContact N-OD2 3.41Å; S30-D102 PolarHBondContact OG-OD2 3.19Å; S30-T104 PolarHBondContact OG-OG1 3.4Å; S30-T104 VanDerWaalsContact OG-OG1 3.05Å; S30-H110 VanDerWaalsContact CA-CD2 3.42Å; S30-H110 WeakPolarHBondContact CA-CD2 3.26Å
31Q89.9Confident90.4Very high105 Ų10592.1 Ų92.149%0.49142%0.419SS..Hα-helixtrans-65.6-41.3-179.5-65.4172.4-23.200112.4K28K28-Q31 HydrophobicContact CB-CG 4.48Å; K28-Q31 VanDerWaalsContact N-OE1 3.16Å; K28-Q31 PolarHBondContact O-N 3.02Å
32K89.1Confident90.4Very high84 Ų8487 Ų8737%0.36540%0.399SS..Hα-helixtrans-68.8-38.2-177.4-174-178.2177.9-166.30112.5K28 E29 S30 L44K28-K32 WeakPolarHBondContact O-CB 3.39Å; K28-K32 PolarHBondContact O-N 2.75Å; E29-K32 PolarHBondContact O-N 3.01Å; S30-K32 PolarHBondContact O-N 2.9Å; K32-L44 HydrophobicContact CB-CD2 4.35Å
33Y90.4Very high90.5Very high53 Ų5385.1 Ų85.121%0.20840%0.399CS..Hα-helixtrans-106.82.7-172.9-59.2-60.3000114.4E29 R42 M134E29-Y33 HydrophobicContact CB-CD2 4.14Å; E29-Y33 HydrophobicContact CB-CE2 4.39Å; E29-Y33 HydrophobicContact CG-CE2 4.34Å; E29-Y33 WeakPolarHBondContact O-CB 3.35Å; E29-Y33 VanDerWaalsContact O-CD2 3.25Å; E29-Y33 WeakPolarHBondContact O-CD2 3.37Å; E29-Y33 PolarHBondContact O-N 3.36Å; Y33-R42 VanDerWaalsContact C-NH1 3.32Å; Y33-R42 PolarHBondContact O-NH1 3.43Å; Y33-M134 HydrophobicContact CD1-CB 3.89Å; Y33-M134 HydrophobicContact CD1-CG 3.63Å; Y33-M134 HydrophobicContact CD2-CB 4.2Å; Y33-M134 HydrophobicContact CE1-CB 4.37Å; Y33-M134 HydrophobicContact CE1-CE 4.5Å; Y33-M134 HydrophobicContact CE1-CG 3.75Å; Y33-M134 HydrophobicContact CE1-SD 4.12Å; Y33-M134 HydrophobicContact CG-CB 3.78Å; Y33-M134 HydrophobicContact CG-CG 4.07Å
34A91Very high90.4Very high27 Ų2781.7 Ų81.722%0.22338%0.381CS..  trans-48.1143165.800000110.9S30 R42 P43S30-A34 VanDerWaalsContact O-CB 3.31Å; S30-A34 WeakPolarHBondContact O-CB 3.32Å; S30-A34 PolarHBondContact O-N 3.26Å; A34-R42 PolarHBondContact O-NH1 3.5Å; A34-P43 HydrophobicContact CB-CG 3.84Å
35L92.3Very high90.3Very high16 Ų1677.6 Ų77.68%0.08437%0.367CS..  trans-143.7127-176.7-177.964.5000109R42 L49 V57L35-R42 HydrophobicContact CD1-CG 4.42Å; L35-L49 HydrophobicContact CD1-CD1 3.48Å; L35-L49 VanDerWaalsContact CD1-CD1 3.48Å; L35-L49 HydrophobicContact CD1-CG 3.83Å; L35-L49 HydrophobicContact CD2-CD1 3.6Å; L35-L49 HydrophobicContact CG-CD1 4.21Å; L35-V57 HydrophobicContact CD2-CG1 3.47Å; L35-V57 VanDerWaalsContact CD2-CG1 3.47Å; L35-V57 HydrophobicContact CD2-CG2 4.17Å
36D93Very high90.5Very high57 Ų5772.8 Ų72.831%0.30536%0.36SS..BIsolated β-bridgetrans-80.2117.8164.8177.62.1000108.7E38 N39 M40 R41D36-E38 VanDerWaalsContact C-N 3.32Å; D36-E38 PolarHBondContact OD1-N 2.93Å; D36-N39 WeakPolarHBondContact OD2-CB 3.45Å; D36-N39 PolarHBondContact OD2-ND2 3.31Å; D36-M40 WeakPolarHBondContact O-CA 3.24Å; D36-M40 PolarHBondContact O-N 3.16Å; D36-R41 PolarHBondContact N-O 2.91Å; D36-R41 PolarHBondContact O-N 2.86Å
37Y91.3Very high90.7Very high107 Ų10771.1 Ų71.142%0.4236%0.357SS..THydrogen-bonded Turntrans-76.6-18-176.1-71.7-90.4000113.4M40 V57 R62 H136Y37-M40 VanDerWaalsContact O-CE 3.29Å; Y37-M40 WeakPolarHBondContact O-CE 2.93Å; Y37-V57 HydrophobicContact CD1-CG1 3.89Å; Y37-V57 HydrophobicContact CE1-CG1 3.94Å; Y37-R62 PolarHBondContact OH-NH2 2.91Å; Y37-H136 AromaticContact CE1-NE2 3.56Å; Y37-H136 AromaticContact CZ-NE2 3.72Å; Y37-H136 PolarHBondContact OH-NE2 3.04Å; Y37-H136 VanDerWaalsContact OH-NE2 3.16Å
38E92.1Very high90.9Very high162 Ų16273.1 Ų73.176%0.75736%0.363SS*.THydrogen-bonded Turntrans-78.1-54.4176.8-62-17617400109.8D36D36-E38 VanDerWaalsContact C-N 3.32Å; D36-E38 PolarHBondContact OD1-N 2.93Å
39N91.8Very high91Very high93 Ų9370 Ų7050%0.49735%0.35SS..THydrogen-bonded Turntrans-92.3-7.5-174.3-62.5-59.7000114D36 R41D36-N39 WeakPolarHBondContact OD2-CB 3.45Å; D36-N39 PolarHBondContact OD2-ND2 3.31Å; N39-R41 HydrophobicContact CB-CB 4.37Å; N39-R41 HydrophobicContact CB-CG 4.06Å; N39-R41 WeakPolarHBondContact O-CG 3.41Å; N39-R41 PolarHBondContact O-N 3.01Å
40M92.5Very high91.3Very high1 Ų172.2 Ų72.21%0.00537%0.369CS..THydrogen-bonded Turntrans5532.6-173.4-60.3-63.3173.900113D36 Y37 M48 L49 W54 V57 R58D36-M40 WeakPolarHBondContact O-CA 3.24Å; D36-M40 PolarHBondContact O-N 3.16Å; Y37-M40 VanDerWaalsContact O-CE 3.29Å; Y37-M40 WeakPolarHBondContact O-CE 2.93Å; M40-M48 WeakPolarHBondContact O-CA 3.44Å; M40-L49 PolarHBondContact O-N 3.43Å; M40-W54 HydrophobicContact CB-CD2 4.25Å; M40-W54 HydrophobicContact CB-CG 4.39Å; M40-W54 HydrophobicContact CB-CZ2 4.17Å; M40-W54 HydrophobicContact CG-CD2 3.81Å; M40-W54 HydrophobicContact CG-CE3 4.39Å; M40-W54 HydrophobicContact CG-CG 3.85Å; M40-W54 HydrophobicContact CG-CZ2 4.48Å; M40-W54 HydrophobicContact SD-CG 4.49Å; M40-V57 HydrophobicContact CE-CG1 3.99Å; M40-V57 HydrophobicContact SD-CB 4.27Å; M40-V57 HydrophobicContact SD-CG1 3.65Å; M40-R58 HydrophobicContact CE-CG 3.59Å
41R93.4Very high91.4Very high127 Ų12776.4 Ų76.448%0.47939%0.393SS..BIsolated β-bridgetrans-108.8143.8-177.5-67.6-168.5177.3-175.1-2.4111.6D36 N39 M48D36-R41 PolarHBondContact N-O 2.91Å; D36-R41 PolarHBondContact O-N 2.86Å; N39-R41 HydrophobicContact CB-CB 4.37Å; N39-R41 HydrophobicContact CB-CG 4.06Å; N39-R41 WeakPolarHBondContact O-CG 3.41Å; N39-R41 PolarHBondContact O-N 3.01Å; R41-M48 HydrophobicContact CG-CB 4.34Å; R41-M48 HydrophobicContact CG-CG 3.85Å; R41-M48 HydrophobicContact CG-SD 4.33Å; R41-M48 PolarHBondContact NE-SD 2.86Å; R41-M48 PolarHBondContact NH2-SD 2.96Å; R41-M48 VanDerWaalsContact NH2-SD 3.44Å
42R91.3Very high91.5Very high45 Ų4579.1 Ų79.117%0.1741%0.41CS..  trans-87.1118.6170.5-64.1-169.5178.3-760.2109Y33 A34 L35 L44 T45 G46 K47Y33-R42 VanDerWaalsContact C-NH1 3.32Å; Y33-R42 PolarHBondContact O-NH1 3.43Å; A34-R42 PolarHBondContact O-NH1 3.5Å; L35-R42 HydrophobicContact CD1-CG 4.42Å; R42-L44 VanDerWaalsContact C-N 3.29Å; R42-L44 PolarHBondContact O-N 2.84Å; R42-T45 PolarHBondContact O-N 2.91Å; R42-G46 WeakPolarHBondContact O-CA 3.43Å; R42-G46 PolarHBondContact O-N 2.85Å; R42-K47 PolarHBondContact N-O 2.97Å
43P91.6Very high91.6Very high94 Ų9476.8 Ų76.861%0.6141%0.407SS*.THydrogen-bonded Turntrans-63.8-33.7-174.523.8-33.1000112.7A34 T45A34-P43 HydrophobicContact CB-CG 3.84Å; P43-T45 PolarHBondContact O-N 2.88Å
44L89.4Confident91.8Very high65 Ų6578 Ų7834%0.3441%0.411SS..THydrogen-bonded Turntrans-68-33-179-177.665.8000113.9P27 K32 R42P27-L44 HydrophobicContact CB-CD2 3.99Å; P27-L44 HydrophobicContact CG-CD2 4.4Å; K32-L44 HydrophobicContact CB-CD2 4.35Å; R42-L44 VanDerWaalsContact C-N 3.29Å; R42-L44 PolarHBondContact O-N 2.84Å
45T89.4Confident91.9Very high48 Ų4881.9 Ų81.929%0.29443%0.425SS..THydrogen-bonded Turntrans-116.1-5.8-173.459.40000113.4R42 P43 K47 V219R42-T45 PolarHBondContact O-N 2.91Å; P43-T45 PolarHBondContact O-N 2.88Å; T45-K47 WeakPolarHBondContact O-CG 3.39Å; T45-K47 PolarHBondContact O-N 3.26Å; T45-K47 PolarHBondContact OG1-N 2.92Å; T45-V219 CarbonylContact C-O 3.5Å
46G90.2Very high91.9Very high48 Ų4883 Ų8350%0.49543%0.43SS..  trans62.1-1-171.300000115.3R42R42-G46 WeakPolarHBondContact O-CA 3.43Å; R42-G46 PolarHBondContact O-N 2.85Å
47K90.4Very high91.9Very high149 Ų14980.6 Ų80.665%0.64842%0.418SS*.PPolyproline II helixtrans-77.3136.2-174.2-64.4-171.6-178.1-175.40110.9R42 T45R42-K47 PolarHBondContact N-O 2.97Å; T45-K47 WeakPolarHBondContact O-CG 3.39Å; T45-K47 PolarHBondContact O-N 3.26Å; T45-K47 PolarHBondContact OG1-N 2.92Å
48M92.9Very high92Very high99 Ų9983.6 Ų83.649%0.48843%0.429SS..BIsolated β-bridgetrans-79.5149.2171.8-40-152.1-42.700110.9M40 R41 W54M40-M48 WeakPolarHBondContact O-CA 3.44Å; R41-M48 HydrophobicContact CG-CB 4.34Å; R41-M48 HydrophobicContact CG-CG 3.85Å; R41-M48 HydrophobicContact CG-SD 4.33Å; R41-M48 PolarHBondContact NE-SD 2.86Å; R41-M48 PolarHBondContact NH2-SD 2.96Å; R41-M48 VanDerWaalsContact NH2-SD 3.44Å; M48-W54 HydrophobicContact CE-CZ2 4.25Å
49L92.3Very high92Very high25 Ų2584.6 Ų84.613%0.13143%0.425CS..PPolyproline II helixtrans-71.9150.5170.2-65.2-175.6000111.3L35 M40 W54 V57L35-L49 HydrophobicContact CD1-CD1 3.48Å; L35-L49 VanDerWaalsContact CD1-CD1 3.48Å; L35-L49 HydrophobicContact CD1-CG 3.83Å; L35-L49 HydrophobicContact CD2-CD1 3.6Å; L35-L49 HydrophobicContact CG-CD1 4.21Å; M40-L49 PolarHBondContact O-N 3.43Å; L49-W54 PolarHBondContact O-NE1 3.3Å; L49-V57 HydrophobicContact CD1-CG2 3.78Å
50P93.6Very high92.1Very high93 Ų9381.4 Ų81.460%0.60441%0.408SS*.PPolyproline II helixtrans-56.3139.5170.7-22.132.7000111.3L52 A53 W54P50-L52 PolarHBondContact O-N 3.27Å; P50-A53 WeakPolarHBondContact O-CB 2.96Å; P50-A53 PolarHBondContact O-N 2.91Å; P50-W54 PolarHBondContact O-NE1 2.81Å
51V92.3Very high92.1Very high106 Ų10683.6 Ų83.664%0.64242%0.423SS*.G310 helixtrans-55.6-38.7-175.4-179.90000112.3A53 W54V51-A53 PolarHBondContact O-N 2.92Å; V51-W54 HydrophobicContact CG2-CZ2 4.36Å; V51-W54 WeakPolarHBondContact O-CB 3.14Å; V51-W54 PolarHBondContact O-N 3.48Å; V51-W54 VanDerWaalsContact O-N 3.07Å
52L91Very high92.2Very high162 Ų16278 Ų7885%0.84840%0.402SS*.G310 helixtrans-59.9-28.2178.5-64.5177.2000113.3P50 W54P50-L52 PolarHBondContact O-N 3.27Å; L52-W54 VanDerWaalsContact C-N 3.34Å
53A91.9Very high92.3Very high35 Ų3575.9 Ų75.929%0.28939%0.394SS..G310 helixtrans-81.8-12.1-179.900000113.2P50 V51 Q55 D56 V57P50-A53 WeakPolarHBondContact O-CB 2.96Å; P50-A53 PolarHBondContact O-N 2.91Å; V51-A53 PolarHBondContact O-N 2.92Å; A53-Q55 PolarHBondContact O-N 3.41Å; A53-D56 PolarHBondContact O-N 3.46Å; A53-V57 WeakPolarHBondContact O-CB 3.38Å; A53-V57 WeakPolarHBondContact O-CG2 3.44Å; A53-V57 PolarHBondContact O-N 3.05Å
54W93.5Very high92.4Very high78 Ų7871.5 Ų71.530%0.29537%0.365SS..Hα-helixtrans-67.5-36.4-171.6-67.411.2000112.8M40 M48 L49 P50 V51 L52 R58M40-W54 HydrophobicContact CB-CD2 4.25Å; M40-W54 HydrophobicContact CB-CG 4.39Å; M40-W54 HydrophobicContact CB-CZ2 4.17Å; M40-W54 HydrophobicContact CG-CD2 3.81Å; M40-W54 HydrophobicContact CG-CE3 4.39Å; M40-W54 HydrophobicContact CG-CG 3.85Å; M40-W54 HydrophobicContact CG-CZ2 4.48Å; M40-W54 HydrophobicContact SD-CG 4.49Å; M48-W54 HydrophobicContact CE-CZ2 4.25Å; L49-W54 PolarHBondContact O-NE1 3.3Å; P50-W54 PolarHBondContact O-NE1 2.81Å; V51-W54 HydrophobicContact CG2-CZ2 4.36Å; V51-W54 WeakPolarHBondContact O-CB 3.14Å; V51-W54 PolarHBondContact O-N 3.48Å; V51-W54 VanDerWaalsContact O-N 3.07Å; L52-W54 VanDerWaalsContact C-N 3.34Å; W54-R58 WeakPolarHBondContact O-CG 3.15Å; W54-R58 PolarHBondContact O-N 3.23Å
55Q93Very high92.6Very high110 Ų11070.8 Ų70.851%0.51437%0.366SS..Hα-helixtrans-64.1-44.6177.8-177.9173.5-500111A53 R58 R59A53-Q55 PolarHBondContact O-N 3.41Å; Q55-R58 PolarHBondContact O-N 3.13Å; Q55-R59 WeakPolarHBondContact O-CG 3.49Å; Q55-R59 PolarHBondContact O-N 3.15Å
56D93.4Very high92.8Very high38 Ų3870.5 Ų70.520%0.20336%0.362CS..Hα-helixtrans-69-41.3-179.2-64.7-20.3000111A53 R58 R59 E60 K82 H136A53-D56 PolarHBondContact O-N 3.46Å; D56-R58 PolarHBondContact O-N 3.49Å; D56-R58 VanDerWaalsContact O-N 3.16Å; D56-R59 PolarHBondContact O-N 2.92Å; D56-R59 VanDerWaalsContact O-N 3.16Å; D56-E60 HydrophobicContact CB-CG 4.46Å; D56-E60 WeakPolarHBondContact O-CB 3.33Å; D56-E60 PolarHBondContact O-N 3.12Å; D56-K82 IonicContact OD1-NZ 2.76Å; D56-K82 PolarHBondContact OD1-NZ 3.07Å; D56-K82 IonicContact OD2-NZ 2.99Å; D56-H136 WeakPolarHBondContact CB-O 3.49Å
57V93.3Very high92.9Very high8 Ų868.2 Ų68.25%0.04834%0.339CS..Hα-helixtrans-54.7-35.3174.5167.10000113.4L35 Y37 M40 L49 A53 H136L35-V57 HydrophobicContact CD2-CG1 3.47Å; L35-V57 VanDerWaalsContact CD2-CG1 3.47Å; L35-V57 HydrophobicContact CD2-CG2 4.17Å; Y37-V57 HydrophobicContact CD1-CG1 3.89Å; Y37-V57 HydrophobicContact CE1-CG1 3.94Å; M40-V57 HydrophobicContact CE-CG1 3.99Å; M40-V57 HydrophobicContact SD-CB 4.27Å; M40-V57 HydrophobicContact SD-CG1 3.65Å; L49-V57 HydrophobicContact CD1-CG2 3.78Å; A53-V57 WeakPolarHBondContact O-CB 3.38Å; A53-V57 WeakPolarHBondContact O-CG2 3.44Å; A53-V57 PolarHBondContact O-N 3.05Å; V57-H136 HydrophobicContact CG2-CB 4.3Å; V57-H136 PolarHBondContact O-CD2 3.48Å; V57-H136 VanDerWaalsContact O-CD2 3.31Å
58R92.6Very high93Very high170 Ų17063 Ų6364%0.64232%0.323SS*.Hα-helixtrans-84-25.6-178.1-70.5-179176.7-168.80.9113.7M40 W54 Q55 D56M40-R58 HydrophobicContact CE-CG 3.59Å; W54-R58 WeakPolarHBondContact O-CG 3.15Å; W54-R58 PolarHBondContact O-N 3.23Å; Q55-R58 PolarHBondContact O-N 3.13Å; D56-R58 PolarHBondContact O-N 3.49Å; D56-R58 VanDerWaalsContact O-N 3.16Å
59R92.4Very high92.8Very high182 Ų18261.7 Ų61.769%0.68734%0.335SS*.Hα-helixtrans-105.2-41.5-172.1-68.7-177.5177.1-169.7-0.3112.9Q55 D56Q55-R59 WeakPolarHBondContact O-CG 3.49Å; Q55-R59 PolarHBondContact O-N 3.15Å; D56-R59 PolarHBondContact O-N 2.92Å; D56-R59 VanDerWaalsContact O-N 3.16Å
60E93.9Very high92.7Very high27 Ų2762.5 Ų62.513%0.12634%0.339CS..SBendtrans-96.7163.2-171.8-54.8-59.5151.600111.3D56 K82 H136 R139D56-E60 HydrophobicContact CB-CG 4.46Å; D56-E60 WeakPolarHBondContact O-CB 3.33Å; D56-E60 PolarHBondContact O-N 3.12Å; E60-K82 HydrophobicContact CG-CD 4.27Å; E60-H136 HydrophobicContact CB-CB 4.36Å; E60-H136 WeakPolarHBondContact CB-O 3.22Å; E60-R139 IonicContact OE1-CZ 3.78Å; E60-R139 IonicContact OE1-NE 3.86Å; E60-R139 IonicContact OE1-NH2 2.73Å; E60-R139 PolarHBondContact OE1-NH2 2.74Å; E60-R139 IonicContact OE2-CZ 2.7Å; E60-R139 IonicContact OE2-NE 2.65Å; E60-R139 PolarHBondContact OE2-NE 2.85Å; E60-R139 IonicContact OE2-NH2 3.97Å; E60-R139 PolarHBondContact OE2-NH2 3.41Å
61S93.1Very high92.6Very high47 Ų4768.9 Ų68.933%0.32935%0.351SS..BIsolated β-bridgetrans-102.7155.9-179.3-67.40000112D137 W138S61-D137 PolarHBondContact O-N 3.4Å; S61-W138 PolarHBondContact O-N 3.22Å
62R94.1Very high92.4Very high10 Ų1070.3 Ų70.34%0.03835%0.354CS..PPolyproline II helixtrans-74.7157.1165.2-54.7176.6-158.2153.33.9109Y37 F64 S65 L66 D109 H110 H136Y37-R62 PolarHBondContact OH-NH2 2.91Å; R62-F64 VanDerWaalsContact C-N 3.34Å; R62-F64 PolarHBondContact O-N 2.91Å; R62-S65 PolarHBondContact O-N 3.12Å; R62-L66 PolarHBondContact O-N 2.8Å; R62-D109 IonicContact CZ-OD2 3.57Å; R62-D109 IonicContact NH1-OD2 3.53Å; R62-D109 PolarHBondContact NH1-OD2 3.01Å; R62-H110 PolarHBondContact NH1-CE1 2.87Å; R62-H110 PolarHBondContact NH1-NE2 3.34Å; R62-H110 VanDerWaalsContact NH1-NE2 3.13Å; R62-H136 PolarHBondContact NE-CE1 2.98Å; R62-H136 PolarHBondContact NE-NE2 3.05Å
63L94.1Very high92.4Very high0 Ų065.8 Ų65.80%033%0.328CS..Hα-helixtrans-57.5-49179.1-176.860.2000111.5S65 L66 L67 F79 I96 A113 V130 V133 W138L63-S65 VanDerWaalsContact C-N 3.33Å; L63-S65 PolarHBondContact O-N 3.32Å; L63-L66 WeakPolarHBondContact O-CB 3.47Å; L63-L66 PolarHBondContact O-N 3.28Å; L63-L66 VanDerWaalsContact O-N 3.07Å; L63-L67 HydrophobicContact CD1-CD1 4.47Å; L63-L67 HydrophobicContact CD1-CG 4.38Å; L63-L67 HydrophobicContact CD2-CD1 4.33Å; L63-L67 HydrophobicContact CG-CD1 3.86Å; L63-L67 HydrophobicContact CG-CG 4.19Å; L63-L67 WeakPolarHBondContact O-CG 3.35Å; L63-L67 PolarHBondContact O-N 2.95Å; L63-F79 HydrophobicContact CD1-CB 4.1Å; L63-F79 HydrophobicContact CD1-CD1 3.59Å; L63-F79 HydrophobicContact CD1-CD2 4.34Å; L63-F79 HydrophobicContact CD1-CE1 4.09Å; L63-F79 HydrophobicContact CD1-CG 3.73Å; L63-I96 HydrophobicContact CD1-CD1 4.11Å; L63-I96 HydrophobicContact CD2-CD1 4.28Å; L63-A113 HydrophobicContact CD2-CB 4.13Å; L63-V130 HydrophobicContact CD2-CG1 4.05Å; L63-V133 HydrophobicContact CB-CG1 4.12Å; L63-V133 HydrophobicContact CD2-CG1 4.29Å; L63-V133 HydrophobicContact CD2-CG2 4.25Å; L63-V133 PolarHBondContact N-O 2.63Å; L63-W138 HydrophobicContact CB-CB 4.34Å; L63-W138 HydrophobicContact CB-CD2 3.91Å; L63-W138 HydrophobicContact CB-CG 3.74Å; L63-W138 HydrophobicContact CD1-CB 4.41Å; L63-W138 HydrophobicContact CD1-CD2 3.92Å; L63-W138 HydrophobicContact CD1-CE3 3.83Å; L63-W138 HydrophobicContact CD1-CG 4.19Å; L63-W138 HydrophobicContact CD1-CZ3 4.33Å; L63-W138 HydrophobicContact CD2-CD2 4.49Å; L63-W138 HydrophobicContact CD2-CH2 4.33Å; L63-W138 HydrophobicContact CD2-CZ2 4.21Å; L63-W138 HydrophobicContact CG-CD2 4.32Å
64F94Very high92.2Very high1 Ų164.2 Ų64.20%0.00432%0.315CS..Hα-helixtrans-69.6-28-176.5-84.8-101.4000113.8R62 L66 L67 A68 V99 V101 D109 H110 G111 K112 A113 V133R62-F64 VanDerWaalsContact C-N 3.34Å; R62-F64 PolarHBondContact O-N 2.91Å; F64-L66 PolarHBondContact O-N 2.78Å; F64-L67 HydrophobicContact CD1-CD1 4.39Å; F64-L67 HydrophobicContact CD2-CD1 4.25Å; F64-L67 HydrophobicContact CE1-CD1 4.39Å; F64-L67 HydrophobicContact CE2-CD1 4.22Å; F64-L67 HydrophobicContact CG-CD1 4.32Å; F64-L67 HydrophobicContact CZ-CD1 4.3Å; F64-L67 PolarHBondContact O-N 3.41Å; F64-A68 WeakPolarHBondContact O-CB 3.07Å; F64-A68 PolarHBondContact O-N 3.04Å; F64-V99 HydrophobicContact CD1-CG1 4.38Å; F64-V99 HydrophobicContact CE1-CG1 3.38Å; F64-V99 HydrophobicContact CZ-CG1 3.63Å; F64-V101 HydrophobicContact CD1-CG2 4.24Å; F64-V101 HydrophobicContact CE1-CB 4.4Å; F64-V101 HydrophobicContact CE1-CG2 3.87Å; F64-D109 VanDerWaalsContact CB-O 3.28Å; F64-D109 WeakPolarHBondContact CB-O 3.49Å; F64-H110 WeakPolarHBondContact CD1-O 3.46Å; F64-G111 WeakPolarHBondContact CE2-O 3.43Å; F64-G111 VanDerWaalsContact CZ-CA 3.43Å; F64-K112 VanDerWaalsContact CZ-N 3.32Å; F64-A113 HydrophobicContact CE2-CB 4.2Å; F64-A113 HydrophobicContact CZ-CB 4.3Å; F64-V133 HydrophobicContact CD2-CG1 3.16Å; F64-V133 HydrophobicContact CE2-CG1 3.21Å; F64-V133 HydrophobicContact CG-CG1 4.48Å
65S92.6Very high92.2Very high51 Ų5164.1 Ų64.136%0.35732%0.323SS..Hα-helixtrans-60.7-37.3170.7-53.40000111.1R62 L63R62-S65 PolarHBondContact O-N 3.12Å; L63-S65 VanDerWaalsContact C-N 3.33Å; L63-S65 PolarHBondContact O-N 3.32Å
66L93.6Very high92.1Very high42 Ų4260.7 Ų60.722%0.2232%0.317CS..Hα-helixtrans-72.4-47.8173.1-58.8175.1000111.1R62 L63 F64 A68 G69 M70 F79 W138R62-L66 PolarHBondContact O-N 2.8Å; L63-L66 WeakPolarHBondContact O-CB 3.47Å; L63-L66 PolarHBondContact O-N 3.28Å; L63-L66 VanDerWaalsContact O-N 3.07Å; F64-L66 PolarHBondContact O-N 2.78Å; L66-A68 PolarHBondContact O-N 3.24Å; L66-G69 PolarHBondContact O-N 3.47Å; L66-M70 VanDerWaalsContact O-CE 3.26Å; L66-M70 WeakPolarHBondContact O-CE 3.34Å; L66-F79 HydrophobicContact CB-CE1 4.08Å; L66-F79 HydrophobicContact CD1-CD1 4.26Å; L66-F79 HydrophobicContact CD1-CE1 4.33Å; L66-W138 HydrophobicContact CD1-CB 4.15Å
67L93.1Very high92.1Very high0 Ų061.1 Ų61.10%032%0.316CS..Hα-helixtrans-60.5-41.2-178-60.9174000112.8L63 F64 G69 M70 F73 F79 I96 V99L63-L67 HydrophobicContact CD1-CD1 4.47Å; L63-L67 HydrophobicContact CD1-CG 4.38Å; L63-L67 HydrophobicContact CD2-CD1 4.33Å; L63-L67 HydrophobicContact CG-CD1 3.86Å; L63-L67 HydrophobicContact CG-CG 4.19Å; L63-L67 WeakPolarHBondContact O-CG 3.35Å; L63-L67 PolarHBondContact O-N 2.95Å; F64-L67 HydrophobicContact CD1-CD1 4.39Å; F64-L67 HydrophobicContact CD2-CD1 4.25Å; F64-L67 HydrophobicContact CE1-CD1 4.39Å; F64-L67 HydrophobicContact CE2-CD1 4.22Å; F64-L67 HydrophobicContact CG-CD1 4.32Å; F64-L67 HydrophobicContact CZ-CD1 4.3Å; F64-L67 PolarHBondContact O-N 3.41Å; L67-G69 PolarHBondContact O-N 2.82Å; L67-M70 HydrophobicContact CD2-CE 4.08Å; L67-M70 PolarHBondContact O-N 3.18Å; L67-F73 HydrophobicContact CB-CB 4.28Å; L67-F73 WeakPolarHBondContact CD2-O 3.38Å; L67-F73 WeakPolarHBondContact O-CA 3.25Å; L67-F79 HydrophobicContact CD2-CE1 3.99Å; L67-F79 HydrophobicContact CD2-CE2 3.67Å; L67-F79 HydrophobicContact CD2-CZ 3.3Å; L67-F79 HydrophobicContact CG-CZ 4.45Å; L67-I96 HydrophobicContact CD1-CD1 4.08Å; L67-I96 HydrophobicContact CD2-CD1 3.44Å; L67-I96 VanDerWaalsContact CD2-CD1 3.44Å; L67-I96 HydrophobicContact CG-CD1 4.33Å; L67-V99 HydrophobicContact CD1-CG1 4.15Å; L67-V99 HydrophobicContact CD1-CG2 4.15Å
68A91.7Very high92.2Very high39 Ų3960.7 Ų60.732%0.32231%0.314SS..Hα-helixtrans-61.2-30.7-178.700000112.6F64 L66 M70 M108F64-A68 WeakPolarHBondContact O-CB 3.07Å; F64-A68 PolarHBondContact O-N 3.04Å; L66-A68 PolarHBondContact O-N 3.24Å; A68-M70 PolarHBondContact O-N 3.25Å; A68-M108 HydrophobicContact CB-CB 4.37Å
69G89.4Confident92.3Very high72 Ų7252.6 Ų52.674%0.74228%0.283SS*.THydrogen-bonded Turntrans-75.7-6.4175.900000114.7L66 L67L66-G69 PolarHBondContact O-N 3.47Å; L67-G69 PolarHBondContact O-N 2.82Å
70M90.9Very high92.3Very high41 Ų4144.2 Ų44.220%0.20225%0.252CS..SBendtrans-110.9150.6-175.7-73.5179.1-69.700113L66 L67 A68 L72 F73 R77 F79 L140L66-M70 VanDerWaalsContact O-CE 3.26Å; L66-M70 WeakPolarHBondContact O-CE 3.34Å; L67-M70 HydrophobicContact CD2-CE 4.08Å; L67-M70 PolarHBondContact O-N 3.18Å; A68-M70 PolarHBondContact O-N 3.25Å; M70-L72 PolarHBondContact O-N 2.79Å; M70-F73 PolarHBondContact O-N 3.49Å; M70-R77 HydrophobicContact SD-CG 4.49Å; M70-F79 HydrophobicContact CE-CE1 3.86Å; M70-F79 HydrophobicContact CE-CZ 3.41Å; M70-F79 VanDerWaalsContact CE-CZ 3.41Å; M70-F79 HydrophobicContact SD-CZ 4.47Å; M70-L140 HydrophobicContact CE-CD1 4.4Å; M70-L140 HydrophobicContact SD-CD1 4.14Å; M70-L140 HydrophobicContact SD-CD2 3.95Å
71R90.2Very high92.3Very high227 Ų22743.7 Ų43.786%0.85725%0.249SC*.G310 helixtrans-59.3133.7171.8-178.1169.2177.5153.50110.3F73 G74R71-F73 PolarHBondContact O-N 3.05Å; R71-G74 PolarHBondContact O-N 2.88Å; R71-G74 VanDerWaalsContact O-N 3.15Å
72L88.8Confident92.3Very high136 Ų13642.6 Ų42.671%0.71224%0.238SC*.G310 helixtrans5433.7-178.8-60169.2000113M70 G74 V75M70-L72 PolarHBondContact O-N 2.79Å; L72-G74 PolarHBondContact O-N 3.05Å; L72-G74 VanDerWaalsContact O-N 3.12Å; L72-V75 WeakPolarHBondContact O-CG2 3.45Å; L72-V75 PolarHBondContact O-N 3.34Å
73F90Very high92.1Very high67 Ų6744.1 Ų44.129%0.29425%0.25SS..G310 helixtrans54.429.8-178-58.9-76.4000114L67 M70 R71 V75 V99 V101 M108L67-F73 HydrophobicContact CB-CB 4.28Å; L67-F73 WeakPolarHBondContact CD2-O 3.38Å; L67-F73 WeakPolarHBondContact O-CA 3.25Å; M70-F73 PolarHBondContact O-N 3.49Å; R71-F73 PolarHBondContact O-N 3.05Å; F73-V75 VanDerWaalsContact C-N 3.29Å; F73-V75 PolarHBondContact O-N 2.9Å; F73-V99 HydrophobicContact CB-CB 4.08Å; F73-V99 HydrophobicContact CB-CG1 4.02Å; F73-V99 HydrophobicContact CB-CG2 4.1Å; F73-V99 HydrophobicContact CG-CG1 4.34Å; F73-V101 HydrophobicContact CD1-CG2 3.75Å; F73-V101 HydrophobicContact CD2-CG2 4.17Å; F73-V101 HydrophobicContact CE1-CG2 3.53Å; F73-V101 HydrophobicContact CE2-CG2 3.96Å; F73-V101 HydrophobicContact CG-CG2 4.08Å; F73-V101 HydrophobicContact CZ-CG2 3.65Å; F73-M108 HydrophobicContact CE1-SD 4.25Å; F73-M108 HydrophobicContact CZ-SD 3.99Å
74G88.8Confident91.9Very high3 Ų345.3 Ų45.33%0.03126%0.255CS..G310 helixtrans6526.3176.100000114.9R71 L72 G76 R77R71-G74 PolarHBondContact O-N 2.88Å; R71-G74 VanDerWaalsContact O-N 3.15Å; L72-G74 PolarHBondContact O-N 3.05Å; L72-G74 VanDerWaalsContact O-N 3.12Å; G74-G76 PolarHBondContact O-N 3.11Å; G74-R77 VanDerWaalsContact O-CB 3.25Å; G74-R77 WeakPolarHBondContact O-CB 3.43Å; G74-R77 WeakPolarHBondContact O-CG 3.43Å; G74-R77 PolarHBondContact O-N 3.21Å
75V93.8Very high91.7Very high76 Ų7649 Ų4946%0.46128%0.275SS..THydrogen-bonded Turntrans-56.7131.2172.1173.90000110L72 F73 T97 V99L72-V75 WeakPolarHBondContact O-CG2 3.45Å; L72-V75 PolarHBondContact O-N 3.34Å; F73-V75 VanDerWaalsContact C-N 3.29Å; F73-V75 PolarHBondContact O-N 2.9Å; V75-T97 WeakPolarHBondContact CG1-O 3.21Å; V75-V99 HydrophobicContact CG2-CG2 4.24Å
76G91.3Very high91.4Very high38 Ų3853.1 Ų53.139%0.39229%0.288SS..THydrogen-bonded Turntrans85.22.4-174.200000114.7G74 I96G74-G76 PolarHBondContact O-N 3.11Å; G76-I96 PolarHBondContact N-O 2.82Å
77R93.4Very high91.1Very high46 Ų4656.9 Ų56.917%0.17431%0.305CS..  trans-93.6154.7175.7-61.8-61-60.6-85.9-5.6112M70 G74 F79 I96 L140 I141 K143 E146M70-R77 HydrophobicContact SD-CG 4.49Å; G74-R77 VanDerWaalsContact O-CB 3.25Å; G74-R77 WeakPolarHBondContact O-CB 3.43Å; G74-R77 WeakPolarHBondContact O-CG 3.43Å; G74-R77 PolarHBondContact O-N 3.21Å; R77-F79 HydrophobicContact CB-CE2 3.75Å; R77-F79 HydrophobicContact CB-CZ 4.22Å; R77-I96 PolarHBondContact O-N 3.37Å; R77-I96 VanDerWaalsContact O-N 3.12Å; R77-L140 HydrophobicContact CB-CD1 4.28Å; R77-I141 PolarHBondContact NH2-O 3.01Å; R77-K143 VanDerWaalsContact CZ-CG 3.43Å; R77-E146 IonicContact CZ-OE1 3.6Å; R77-E146 IonicContact NE-OE1 3.49Å; R77-E146 PolarHBondContact NE-OE1 2.83Å; R77-E146 IonicContact NH2-OE1 2.7Å; R77-E146 PolarHBondContact NH2-OE1 3.16Å
78M93.9Very high90.6Very high0 Ų058.3 Ų58.30%031%0.311CS..EExtended strand (participates in β ladder)trans-98.4133.9177.9-71.7-177.3-98.100112.1Y93 W94 E95 I141 E146 K150M78-Y93 HydrophobicContact CB-CD2 4.27Å; M78-Y93 HydrophobicContact CG-CD2 3.82Å; M78-Y93 HydrophobicContact CG-CE2 4.1Å; M78-Y93 HydrophobicContact SD-CD2 3.57Å; M78-Y93 VanDerWaalsContact SD-CD2 3.57Å; M78-Y93 HydrophobicContact SD-CE1 4.47Å; M78-Y93 HydrophobicContact SD-CE2 3.37Å; M78-Y93 WeakPolarHBondContact SD-CE2 3.26Å; M78-Y93 HydrophobicContact SD-CG 4.22Å; M78-W94 WeakPolarHBondContact CA-O 3.36Å; M78-E95 HydrophobicContact CG-CB 4.38Å; M78-I141 HydrophobicContact CB-CB 4.3Å; M78-I141 HydrophobicContact CB-CD1 4.05Å; M78-I141 PolarHBondContact O-N 3.24Å; M78-E146 HydrophobicContact CB-CG 4.49Å; M78-E146 HydrophobicContact CE-CB 3.35Å; M78-E146 HydrophobicContact CE-CG 3.45Å; M78-E146 VanDerWaalsContact CE-CG 3.45Å; M78-E146 WeakPolarHBondContact CE-OE2 3.47Å; M78-K150 HydrophobicContact CE-CD 3.99Å; M78-K150 HydrophobicContact CE-CG 4.32Å; M78-K150 HydrophobicContact SD-CG 4.44Å
79F94.2Very high90.2Very high0 Ų062.5 Ų62.50%034%0.335CS..EExtended strand (participates in β ladder)trans-125.4137177.9-64.1-97000109.8L63 L66 L67 M70 R77 Y93 W94 I96 W138 R139 L140L63-F79 HydrophobicContact CD1-CB 4.1Å; L63-F79 HydrophobicContact CD1-CD1 3.59Å; L63-F79 HydrophobicContact CD1-CD2 4.34Å; L63-F79 HydrophobicContact CD1-CE1 4.09Å; L63-F79 HydrophobicContact CD1-CG 3.73Å; L66-F79 HydrophobicContact CB-CE1 4.08Å; L66-F79 HydrophobicContact CD1-CD1 4.26Å; L66-F79 HydrophobicContact CD1-CE1 4.33Å; L67-F79 HydrophobicContact CD2-CE1 3.99Å; L67-F79 HydrophobicContact CD2-CE2 3.67Å; L67-F79 HydrophobicContact CD2-CZ 3.3Å; L67-F79 HydrophobicContact CG-CZ 4.45Å; M70-F79 HydrophobicContact CE-CE1 3.86Å; M70-F79 HydrophobicContact CE-CZ 3.41Å; M70-F79 VanDerWaalsContact CE-CZ 3.41Å; M70-F79 HydrophobicContact SD-CZ 4.47Å; R77-F79 HydrophobicContact CB-CE2 3.75Å; R77-F79 HydrophobicContact CB-CZ 4.22Å; F79-Y93 CarbonylContact O-C 3.59Å; F79-Y93 WeakPolarHBondContact O-CA 3.23Å; F79-Y93 WeakPolarHBondContact O-CB 3.38Å; F79-W94 PolarHBondContact N-O 3.36Å; F79-W94 PolarHBondContact O-N 3.27Å; F79-I96 HydrophobicContact CD2-CD1 3.31Å; F79-I96 HydrophobicContact CD2-CG1 3.74Å; F79-I96 HydrophobicContact CE2-CD1 3.31Å; F79-I96 HydrophobicContact CE2-CG1 3.97Å; F79-I96 HydrophobicContact CG-CD1 4.16Å; F79-I96 HydrophobicContact CZ-CD1 4.15Å; F79-W138 HydrophobicContact CB-CE3 4.02Å; F79-W138 HydrophobicContact CB-CZ3 4.19Å; F79-R139 WeakPolarHBondContact CA-O 3.41Å; F79-L140 HydrophobicContact CD1-CB 4.35Å; F79-L140 HydrophobicContact CD1-CD1 4.1Å; F79-L140 HydrophobicContact CE1-CB 4.16Å; F79-L140 HydrophobicContact CE1-CD1 3.55Å; F79-L140 HydrophobicContact CE1-CG 4.43Å; F79-L140 HydrophobicContact CE2-CD1 4.25Å; F79-L140 HydrophobicContact CZ-CD1 3.62Å
80T93.7Very high90.1Very high5 Ų561.7 Ų61.73%0.03131%0.312CS..EExtended strand (participates in β ladder)trans-115.5176.1173-166.70000110.2L85 S92 R139 I141T80-L85 HydrophobicContact CG2-CD1 3.95Å; T80-L85 HydrophobicContact CG2-CD2 4.36Å; T80-L85 HydrophobicContact CG2-CG 4.24Å; T80-S92 WeakPolarHBondContact CB-O 2.96Å; T80-S92 PolarHBondContact OG1-O 3.27Å; T80-R139 HydrophobicContact CG2-CB 4.16Å; T80-R139 PolarHBondContact N-O 2.89Å; T80-R139 PolarHBondContact O-N 2.97Å; T80-I141 HydrophobicContact CG2-CD1 4.32Å; T80-I141 HydrophobicContact CG2-CG1 4.02Å
81R93.3Very high90Very high16 Ų1660.4 Ų60.46%0.0631%0.307CS..EExtended strand (participates in β ladder)trans-117.8143.5175.2-65.8-175-174.8160.44.8110.5S83 W84 L85 E131 D137 W138R81-S83 VanDerWaalsContact C-N 3.28Å; R81-S83 PolarHBondContact O-N 3.41Å; R81-W84 HydrophobicContact CB-CB 4.29Å; R81-W84 HydrophobicContact CB-CD2 3.79Å; R81-W84 HydrophobicContact CB-CE3 3.91Å; R81-W84 HydrophobicContact CB-CG 3.94Å; R81-W84 HydrophobicContact CG-CD2 4.05Å; R81-W84 HydrophobicContact CG-CE3 3.95Å; R81-W84 HydrophobicContact CG-CZ3 4.28Å; R81-W84 PolarHBondContact O-N 2.83Å; R81-W84 VanDerWaalsContact O-N 3.14Å; R81-L85 WeakPolarHBondContact O-CG 3.2Å; R81-L85 PolarHBondContact O-N 3.4Å; R81-E131 PolarHBondContact NH2-O 2.58Å; R81-D137 CarbonylContact C-O 3.52Å; R81-D137 WeakPolarHBondContact CA-O 3.3Å; R81-W138 HydrophobicContact CG-CD2 4.14Å; R81-W138 HydrophobicContact CG-CE3 3.88Å; R81-W138 HydrophobicContact CG-CH2 4.39Å; R81-W138 HydrophobicContact CG-CZ3 4.02Å; R81-W138 VanDerWaalsContact NE-CH2 3.3Å; R81-W138 VanDerWaalsContact NE-CZ2 3.25Å; R81-W138 VanDerWaalsContact NH2-CH2 3.28Å
82K92.9Very high90.1Very high25 Ų2549.8 Ų49.811%0.10927%0.267CS..Hα-helixtrans-59.7-42.7173.7171.1-127.2171.3-163.60110.2D56 E60 W84 L85 E86 D137D56-K82 IonicContact OD1-NZ 2.76Å; D56-K82 PolarHBondContact OD1-NZ 3.07Å; D56-K82 IonicContact OD2-NZ 2.99Å; E60-K82 HydrophobicContact CG-CD 4.27Å; K82-W84 VanDerWaalsContact C-N 3.25Å; K82-W84 PolarHBondContact O-N 3.28Å; K82-L85 PolarHBondContact O-N 2.91Å; K82-L85 VanDerWaalsContact O-N 3.16Å; K82-E86 VanDerWaalsContact CE-CD 3.43Å; K82-E86 WeakPolarHBondContact CE-OE1 3.49Å; K82-E86 WeakPolarHBondContact CE-OE2 3.29Å; K82-E86 IonicContact NZ-OE1 2.85Å; K82-E86 IonicContact NZ-OE2 3.72Å; K82-E86 PolarHBondContact O-N 2.92Å; K82-E86 VanDerWaalsContact O-N 3.1Å; K82-D137 WeakPolarHBondContact CA-OD1 3.42Å; K82-D137 VanDerWaalsContact CB-OD1 3.25Å; K82-D137 WeakPolarHBondContact CB-OD1 3.08Å; K82-D137 PolarHBondContact N-O 2.81Å; K82-D137 PolarHBondContact N-OD1 2.95Å
83S90Very high90.3Very high42 Ų4243.9 Ų43.929%0.29424%0.235SC..Hα-helixtrans-54-39.6174.156.80000113.4R81 E86 E87 D137R81-S83 VanDerWaalsContact C-N 3.28Å; R81-S83 PolarHBondContact O-N 3.41Å; S83-E86 PolarHBondContact O-N 3.18Å; S83-E87 VanDerWaalsContact O-CB 3.25Å; S83-E87 WeakPolarHBondContact O-CB 3.35Å; S83-E87 PolarHBondContact O-N 3.44Å; S83-D137 VanDerWaalsContact CB-OD2 3.32Å; S83-D137 WeakPolarHBondContact CB-OD2 3.49Å; S83-D137 PolarHBondContact N-OD1 3.2Å; S83-D137 PolarHBondContact OG-OD2 3.33Å
84W90.7Very high90.5Very high24 Ų2441.1 Ų41.19%0.09122%0.223CC..Hα-helixtrans-72.1-38.2179.5-66-19.8000113.2R81 K82 E86 E87 H88 W94 L117R81-W84 HydrophobicContact CB-CB 4.29Å; R81-W84 HydrophobicContact CB-CD2 3.79Å; R81-W84 HydrophobicContact CB-CE3 3.91Å; R81-W84 HydrophobicContact CB-CG 3.94Å; R81-W84 HydrophobicContact CG-CD2 4.05Å; R81-W84 HydrophobicContact CG-CE3 3.95Å; R81-W84 HydrophobicContact CG-CZ3 4.28Å; R81-W84 PolarHBondContact O-N 2.83Å; R81-W84 VanDerWaalsContact O-N 3.14Å; K82-W84 VanDerWaalsContact C-N 3.25Å; K82-W84 PolarHBondContact O-N 3.28Å; W84-E86 PolarHBondContact O-N 3.16Å; W84-E87 PolarHBondContact O-N 3.14Å; W84-H88 PolarHBondContact O-N 2.73Å; W84-H88 VanDerWaalsContact O-N 3.1Å; W84-W94 AromaticContact CH2-CD1 3.39Å; W84-W94 AromaticContact CH2-NE1 3.25Å; W84-W94 VanDerWaalsContact CH2-NE1 3.25Å; W84-W94 AromaticContact CZ3-CD1 3.71Å; W84-L117 HydrophobicContact CH2-CD1 3.72Å; W84-L117 HydrophobicContact CZ2-CD1 4.46Å; W84-L117 HydrophobicContact CZ3-CD1 4.44Å
85L88.6Confident90.8Very high80 Ų8043.3 Ų43.342%0.41923%0.232SC..Hα-helixtrans-64.7-31175.9-64.1173000112.1T80 R81 K82T80-L85 HydrophobicContact CG2-CD1 3.95Å; T80-L85 HydrophobicContact CG2-CD2 4.36Å; T80-L85 HydrophobicContact CG2-CG 4.24Å; R81-L85 WeakPolarHBondContact O-CG 3.2Å; R81-L85 PolarHBondContact O-N 3.4Å; K82-L85 PolarHBondContact O-N 2.91Å; K82-L85 VanDerWaalsContact O-N 3.16Å
86E88.1Confident90.9Very high137 Ų13739.7 Ų39.764%0.6421%0.211SC*.Hα-helixtrans-83.1-36.4177.2-69.7-179.5167.200112.8K82 S83 W84K82-E86 VanDerWaalsContact CE-CD 3.43Å; K82-E86 WeakPolarHBondContact CE-OE1 3.49Å; K82-E86 WeakPolarHBondContact CE-OE2 3.29Å; K82-E86 IonicContact NZ-OE1 2.85Å; K82-E86 IonicContact NZ-OE2 3.72Å; K82-E86 PolarHBondContact O-N 2.92Å; K82-E86 VanDerWaalsContact O-N 3.1Å; S83-E86 PolarHBondContact O-N 3.18Å; W84-E86 PolarHBondContact O-N 3.16Å
87E86.4Confident91Very high121 Ų12140.6 Ų40.657%0.56521%0.208SC*.Hα-helixtrans-77.8-36.4-174.7-159.2-172.5164.600112.6S83 W84S83-E87 VanDerWaalsContact O-CB 3.25Å; S83-E87 WeakPolarHBondContact O-CB 3.35Å; S83-E87 PolarHBondContact O-N 3.44Å; W84-E87 PolarHBondContact O-N 3.14Å
88H82Confident91.1Very high30 Ų3044.6 Ų44.614%0.13923%0.227CC..  trans-140.2133.2-166.2-61.2-35.4000111.7W84 E90 Y119 K120W84-H88 PolarHBondContact O-N 2.73Å; W84-H88 VanDerWaalsContact O-N 3.1Å; H88-E90 WeakPolarHBondContact CB-OE2 3.31Å; H88-E90 PolarHBondContact O-N 3.44Å; H88-Y119 PolarHBondContact NE2-OH 3.37Å; H88-K120 WeakPolarHBondContact CD2-CE 3.4Å; H88-K120 VanDerWaalsContact CE1-CE 3.42Å; H88-K120 WeakPolarHBondContact CE1-CE 2.96Å; H88-K120 PolarHBondContact CE1-NZ 3.38Å; H88-K120 VanDerWaalsContact CG-CE 3.49Å; H88-K120 WeakPolarHBondContact NE2-CE 3Å; H88-K120 PolarHBondContact NE2-NZ 3.17Å
89P82.9Confident91.1Very high126 Ų12646 Ų4682%0.81824%0.235SC*.SBendtrans-72.2-20.3171.831.1-35.1000112.1
90E87.6Confident91.1Very high56 Ų5652.3 Ų52.326%0.26226%0.263SS..SBendtrans-74.6139.8-180-54.897158.200112H88 S92 K120 F152H88-E90 WeakPolarHBondContact CB-OE2 3.31Å; H88-E90 PolarHBondContact O-N 3.44Å; E90-S92 PolarHBondContact O-N 3.1Å; E90-K120 HydrophobicContact CB-CB 4.05Å; E90-K120 HydrophobicContact CB-CG 4.46Å; E90-F152 HydrophobicContact CB-CE1 4.16Å; E90-F152 HydrophobicContact CB-CZ 3.95Å; E90-F152 HydrophobicContact CG-CE1 4.15Å; E90-F152 HydrophobicContact CG-CE2 4.44Å; E90-F152 HydrophobicContact CG-CZ 3.62Å
91P89.7Confident91.1Very high14 Ų1453.4 Ų53.49%0.09127%0.27CS..  trans-64.6126.6-177.126.7-33.9000110.7Y93 G121 F149 F152P91-Y93 HydrophobicContact CB-CD1 4.4Å; P91-Y93 HydrophobicContact CB-CE1 4.37Å; P91-G121 PolarHBondContact O-N 3.42Å; P91-F149 HydrophobicContact CB-CB 4.46Å; P91-F149 HydrophobicContact CB-CD1 3.6Å; P91-F149 HydrophobicContact CB-CE1 4.31Å; P91-F149 HydrophobicContact CB-CG 4.42Å; P91-F152 VanDerWaalsContact CD-CG 3.43Å; P91-F152 HydrophobicContact CG-CB 3.43Å; P91-F152 VanDerWaalsContact CG-CB 3.43Å; P91-F152 HydrophobicContact CG-CD1 3.8Å; P91-F152 HydrophobicContact CG-CD2 4.11Å; P91-F152 HydrophobicContact CG-CG 3.51Å
92S91.3Very high91Very high4 Ų453.3 Ų53.33%0.02827%0.27CS..  trans-128.9122174.3-59.80000109.6T80 E90 T118 K120T80-S92 WeakPolarHBondContact CB-O 2.96Å; T80-S92 PolarHBondContact OG1-O 3.27Å; E90-S92 PolarHBondContact O-N 3.1Å; S92-T118 CarbonylContact C-O 3.55Å; S92-T118 VanDerWaalsContact CA-O 3.24Å; S92-T118 WeakPolarHBondContact CA-O 3.25Å; S92-K120 PolarHBondContact OG-N 3.29Å
93Y93.4Very high90.8Very high12 Ų1260.8 Ų60.85%0.04730%0.299CS..EExtended strand (participates in β ladder)trans-154.2159.7-176.858.3-96.3000111.8M78 F79 P91 T118 I141 F149M78-Y93 HydrophobicContact CB-CD2 4.27Å; M78-Y93 HydrophobicContact CG-CD2 3.82Å; M78-Y93 HydrophobicContact CG-CE2 4.1Å; M78-Y93 HydrophobicContact SD-CD2 3.57Å; M78-Y93 VanDerWaalsContact SD-CD2 3.57Å; M78-Y93 HydrophobicContact SD-CE1 4.47Å; M78-Y93 HydrophobicContact SD-CE2 3.37Å; M78-Y93 WeakPolarHBondContact SD-CE2 3.26Å; M78-Y93 HydrophobicContact SD-CG 4.22Å; F79-Y93 CarbonylContact O-C 3.59Å; F79-Y93 WeakPolarHBondContact O-CA 3.23Å; F79-Y93 WeakPolarHBondContact O-CB 3.38Å; P91-Y93 HydrophobicContact CB-CD1 4.4Å; P91-Y93 HydrophobicContact CB-CE1 4.37Å; Y93-T118 HydrophobicContact CE1-CG2 3.94Å; Y93-T118 WeakPolarHBondContact CE2-OG1 3.38Å; Y93-T118 PolarHBondContact N-O 3.39Å; Y93-T118 PolarHBondContact O-N 3.29Å; Y93-I141 HydrophobicContact CG-CD1 4.36Å; Y93-F149 HydrophobicContact CD1-CB 4.28Å; Y93-F149 HydrophobicContact CD1-CD1 4.28Å; Y93-F149 HydrophobicContact CE1-CB 4.07Å
94W94.8Very high90.7Very high9 Ų961.9 Ų61.93%0.03430%0.304CS..EExtended strand (participates in β ladder)trans-107.3128.9169.4-76.995.8000109.6M78 F79 W84 G115 I116 L117 K128 V130 W138M78-W94 WeakPolarHBondContact CA-O 3.36Å; F79-W94 PolarHBondContact N-O 3.36Å; F79-W94 PolarHBondContact O-N 3.27Å; W84-W94 AromaticContact CH2-CD1 3.39Å; W84-W94 AromaticContact CH2-NE1 3.25Å; W84-W94 VanDerWaalsContact CH2-NE1 3.25Å; W84-W94 AromaticContact CZ3-CD1 3.71Å; W94-G115 WeakPolarHBondContact CZ3-O 3.49Å; W94-I116 WeakPolarHBondContact CA-O 3.37Å; W94-L117 HydrophobicContact CD2-CB 4.18Å; W94-L117 HydrophobicContact CD2-CD1 4.05Å; W94-L117 HydrophobicContact CE3-CB 3.88Å; W94-L117 HydrophobicContact CG-CD1 4.41Å; W94-L117 HydrophobicContact CH2-CB 3.65Å; W94-L117 HydrophobicContact CH2-CD2 4.22Å; W94-L117 HydrophobicContact CH2-CG 4.35Å; W94-L117 HydrophobicContact CZ2-CB 3.93Å; W94-L117 HydrophobicContact CZ2-CD1 3.95Å; W94-L117 HydrophobicContact CZ2-CD2 3.96Å; W94-L117 HydrophobicContact CZ2-CG 4.16Å; W94-L117 HydrophobicContact CZ3-CB 3.63Å; W94-K128 HydrophobicContact CH2-CB 4.04Å; W94-K128 HydrophobicContact CZ3-CB 4.16Å; W94-V130 HydrophobicContact CD2-CG1 4.22Å; W94-V130 HydrophobicContact CD2-CG2 3.98Å; W94-V130 HydrophobicContact CE3-CG2 3.84Å; W94-V130 HydrophobicContact CG-CG1 4.27Å; W94-V130 HydrophobicContact CG-CG2 4.4Å; W94-V130 HydrophobicContact CZ3-CG2 4.23Å; W94-W138 AromaticContact CD1-CH2 3.58Å; W94-W138 AromaticContact CD1-CZ3 3.7Å; W94-W138 HydrophobicContact CG-CH2 4.35Å; W94-W138 HydrophobicContact CG-CZ3 4.4Å; W94-W138 AromaticContact NE1-CH2 3.95Å
95E94.5Very high90.6Very high48 Ų4861.2 Ų61.222%0.22430%0.303CS..EExtended strand (participates in β ladder)trans-93.7113.3166-175.8174.1-17500109M78 G115 I116M78-E95 HydrophobicContact CG-CB 4.38Å; E95-G115 CarbonylContact O-C 3.39Å; E95-G115 WeakPolarHBondContact O-CA 3.44Å; E95-I116 HydrophobicContact CB-CB 4.48Å; E95-I116 PolarHBondContact N-O 3.05Å; E95-I116 PolarHBondContact O-N 3.14Å
96I95.5Very high90.5Very high1 Ų166.3 Ų66.31%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-80.6126-172.6-63.8-176.6000110.5L63 L67 G76 R77 F79 V99L63-I96 HydrophobicContact CD1-CD1 4.11Å; L63-I96 HydrophobicContact CD2-CD1 4.28Å; L67-I96 HydrophobicContact CD1-CD1 4.08Å; L67-I96 HydrophobicContact CD2-CD1 3.44Å; L67-I96 VanDerWaalsContact CD2-CD1 3.44Å; L67-I96 HydrophobicContact CG-CD1 4.33Å; G76-I96 PolarHBondContact N-O 2.82Å; R77-I96 PolarHBondContact O-N 3.37Å; R77-I96 VanDerWaalsContact O-N 3.12Å; F79-I96 HydrophobicContact CD2-CD1 3.31Å; F79-I96 HydrophobicContact CD2-CG1 3.74Å; F79-I96 HydrophobicContact CE2-CD1 3.31Å; F79-I96 HydrophobicContact CE2-CG1 3.97Å; F79-I96 HydrophobicContact CG-CD1 4.16Å; F79-I96 HydrophobicContact CZ-CD1 4.15Å; I96-V99 HydrophobicContact CG2-CG2 3.48Å; I96-V99 VanDerWaalsContact CG2-CG2 3.48Å
97T94.6Very high90.5Very high56 Ų5665.2 Ų65.234%0.34432%0.324SS..EExtended strand (participates in β ladder)trans-108.2-34.8179.557.40000112.5V75 W114 I116 V127V75-T97 WeakPolarHBondContact CG1-O 3.21Å; T97-W114 PolarHBondContact N-O 2.77Å; T97-W114 PolarHBondContact OG1-O 3.1Å; T97-I116 HydrophobicContact CG2-CD1 4.45Å; T97-I116 HydrophobicContact CG2-CG1 4.31Å; T97-V127 HydrophobicContact CG2-CG2 4.35Å; T97-V127 VanDerWaalsContact OG1-CG1 3.32Å; T97-V127 WeakPolarHBondContact OG1-CG1 3.47Å
98K94.6Very high90.6Very high130 Ų13063.7 Ų63.757%0.56532%0.318SS*.EExtended strand (participates in β ladder)trans-141.4140.8-178-175.8179.1-177.5174.20110.8A113 W114K98-A113 CarbonylContact O-C 3.5Å; K98-A113 WeakPolarHBondContact O-CA 3.46Å; K98-W114 HydrophobicContact CB-CB 4.22Å; K98-W114 HydrophobicContact CB-CE3 4.04Å; K98-W114 HydrophobicContact CD-CE3 4.03Å; K98-W114 HydrophobicContact CD-CZ3 4.42Å; K98-W114 HydrophobicContact CG-CE3 3.86Å; K98-W114 HydrophobicContact CG-CZ3 4.31Å; K98-W114 PolarHBondContact N-O 3.45Å; K98-W114 VanDerWaalsContact N-O 3.16Å; K98-W114 PolarHBondContact O-N 2.96Å
99V95.1Very high91Very high29 Ų2963.7 Ų63.718%0.17632%0.319CS..EExtended strand (participates in β ladder)trans-130.2133.7177.6-175.10000109.1F64 L67 F73 V75 I96 V101F64-V99 HydrophobicContact CD1-CG1 4.38Å; F64-V99 HydrophobicContact CE1-CG1 3.38Å; F64-V99 HydrophobicContact CZ-CG1 3.63Å; L67-V99 HydrophobicContact CD1-CG1 4.15Å; L67-V99 HydrophobicContact CD1-CG2 4.15Å; F73-V99 HydrophobicContact CB-CB 4.08Å; F73-V99 HydrophobicContact CB-CG1 4.02Å; F73-V99 HydrophobicContact CB-CG2 4.1Å; F73-V99 HydrophobicContact CG-CG1 4.34Å; V75-V99 HydrophobicContact CG2-CG2 4.24Å; I96-V99 HydrophobicContact CG2-CG2 3.48Å; I96-V99 VanDerWaalsContact CG2-CG2 3.48Å; V99-V101 HydrophobicContact CG1-CG2 3.91Å
100K93.8Very high91.4Very high134 Ų13458.3 Ų58.358%0.58328%0.282SS*.EExtended strand (participates in β ladder)trans-121.8104.7170.7-179.9-179.6-179.6176.50108.2G111 K112 W114K100-G111 CarbonylContact O-C 3.58Å; K100-G111 VanDerWaalsContact O-CA 3.23Å; K100-G111 WeakPolarHBondContact O-CA 3.23Å; K100-K112 PolarHBondContact N-O 2.98Å; K100-K112 PolarHBondContact O-N 2.73Å; K100-W114 HydrophobicContact CB-CH2 3.84Å; K100-W114 HydrophobicContact CB-CZ3 3.55Å; K100-W114 HydrophobicContact CD-CH2 4.28Å
101V92.8Very high91.6Very high28 Ų2856 Ų5617%0.1727%0.274CS..EExtended strand (participates in β ladder)trans-83145.8-178.6-177.10000110.5F64 F73 V99 Y103 M108F64-V101 HydrophobicContact CD1-CG2 4.24Å; F64-V101 HydrophobicContact CE1-CB 4.4Å; F64-V101 HydrophobicContact CE1-CG2 3.87Å; F73-V101 HydrophobicContact CD1-CG2 3.75Å; F73-V101 HydrophobicContact CD2-CG2 4.17Å; F73-V101 HydrophobicContact CE1-CG2 3.53Å; F73-V101 HydrophobicContact CE2-CG2 3.96Å; F73-V101 HydrophobicContact CG-CG2 4.08Å; F73-V101 HydrophobicContact CZ-CG2 3.65Å; V99-V101 HydrophobicContact CG1-CG2 3.91Å; V101-Y103 PolarHBondContact O-N 3.27Å; V101-M108 HydrophobicContact CG1-CB 3.63Å; V101-M108 HydrophobicContact CG1-CG 3.96Å; V101-M108 HydrophobicContact CG1-SD 4.42Å
102D91.8Very high91.8Very high13 Ų1358.3 Ų58.37%0.0728%0.282CS..  trans-81100.1165.5-167.8-7.5000109.5K28 E29 S30 T104 A105 H110K28-D102 WeakPolarHBondContact CB-OD2 3.48Å; E29-D102 PolarHBondContact N-OD2 2.92Å; S30-D102 PolarHBondContact N-OD2 3.41Å; S30-D102 PolarHBondContact OG-OD2 3.19Å; D102-T104 PolarHBondContact O-N 2.73Å; D102-T104 VanDerWaalsContact O-N 3.11Å; D102-T104 WeakPolarHBondContact OD1-CB 3.33Å; D102-T104 PolarHBondContact OD1-N 3.06Å; D102-T104 VanDerWaalsContact OD1-N 3.17Å; D102-T104 PolarHBondContact OD1-OG1 2.76Å; D102-T104 PolarHBondContact OD2-OG1 2.91Å; D102-A105 PolarHBondContact O-N 2.65Å; D102-H110 HydrophobicContact CB-CB 4.17Å; D102-H110 PolarHBondContact N-O 2.7Å
103Y88.2Confident92Very high183 Ų18358.1 Ų58.172%0.71828%0.281SS*.THydrogen-bonded Turntrans-66.5-6.7179.258.1-92.9000113.8V101 A105V101-Y103 PolarHBondContact O-N 3.27Å; Y103-A105 VanDerWaalsContact C-N 3.33Å
104T88Confident92.1Very high65 Ų6560.2 Ų60.240%0.39929%0.289SS..THydrogen-bonded Turntrans-81.6-15.4174.966.50000112.9K28 S30 D102K28-T104 HydrophobicContact CD-CG2 4.39Å; K28-T104 HydrophobicContact CG-CG2 4.21Å; S30-T104 PolarHBondContact OG-OG1 3.4Å; S30-T104 VanDerWaalsContact OG-OG1 3.05Å; D102-T104 PolarHBondContact O-N 2.73Å; D102-T104 VanDerWaalsContact O-N 3.11Å; D102-T104 WeakPolarHBondContact OD1-CB 3.33Å; D102-T104 PolarHBondContact OD1-N 3.06Å; D102-T104 VanDerWaalsContact OD1-N 3.17Å; D102-T104 PolarHBondContact OD1-OG1 2.76Å; D102-T104 PolarHBondContact OD2-OG1 2.91Å
105A88.3Confident92.1Very high9 Ų959.8 Ų59.87%0.07429%0.288CS..SBendtrans-81.3129.6174.800000110.3D102 Y103 N107 M108 D109D102-A105 PolarHBondContact O-N 2.65Å; Y103-A105 VanDerWaalsContact C-N 3.33Å; A105-N107 VanDerWaalsContact C-N 3.28Å; A105-N107 PolarHBondContact O-N 3.35Å; A105-M108 PolarHBondContact O-N 2.85Å; A105-M108 VanDerWaalsContact O-N 3.14Å; A105-D109 WeakPolarHBondContact CB-OD1 3.25Å
106E87.1Confident92.1Very high187 Ų18759.1 Ų59.187%0.87429%0.285SS*.THydrogen-bonded Turntrans-55.7-43.5179.7-173.7175-172.900112.2
107N88.4Confident92.1Very high115 Ų11560.1 Ų60.162%0.61529%0.29SS*.THydrogen-bonded Turntrans-95.47.3-178.3-64.8-33.2000113.9A105 D109A105-N107 VanDerWaalsContact C-N 3.28Å; A105-N107 PolarHBondContact O-N 3.35Å; N107-D109 HydrophobicContact CB-CB 4.25Å; N107-D109 PolarHBondContact O-N 3.49Å
108M88.8Confident91.9Very high88 Ų8857.7 Ų57.743%0.43328%0.275SS..  trans52.729-175.3-65.6-173.2-170.900113.4A68 F73 V101 A105 H110A68-M108 HydrophobicContact CB-CB 4.37Å; F73-M108 HydrophobicContact CE1-SD 4.25Å; F73-M108 HydrophobicContact CZ-SD 3.99Å; V101-M108 HydrophobicContact CG1-CB 3.63Å; V101-M108 HydrophobicContact CG1-CG 3.96Å; V101-M108 HydrophobicContact CG1-SD 4.42Å; A105-M108 PolarHBondContact O-N 2.85Å; A105-M108 VanDerWaalsContact O-N 3.14Å; M108-H110 PolarHBondContact O-N 3.27Å
109D89.8Confident91.7Very high31 Ų3155.4 Ų55.417%0.16626%0.264CS..  trans-86.711.8-170.967.7-33.1000113.7R62 F64 A105 N107R62-D109 IonicContact CZ-OD2 3.57Å; R62-D109 IonicContact NH1-OD2 3.53Å; R62-D109 PolarHBondContact NH1-OD2 3.01Å; F64-D109 VanDerWaalsContact CB-O 3.28Å; F64-D109 WeakPolarHBondContact CB-O 3.49Å; A105-D109 WeakPolarHBondContact CB-OD1 3.25Å; N107-D109 HydrophobicContact CB-CB 4.25Å; N107-D109 PolarHBondContact O-N 3.49Å
110H92.1Very high91.2Very high12 Ų1257.4 Ų57.46%0.05627%0.27CS..  trans-138.8150.9-178.7-66.1-66.5000111.7E29 S30 R62 F64 D102 M108E29-H110 HydrophobicContact CB-CB 4.39Å; S30-H110 VanDerWaalsContact CA-CD2 3.42Å; S30-H110 WeakPolarHBondContact CA-CD2 3.26Å; R62-H110 PolarHBondContact NH1-CE1 2.87Å; R62-H110 PolarHBondContact NH1-NE2 3.34Å; R62-H110 VanDerWaalsContact NH1-NE2 3.13Å; F64-H110 WeakPolarHBondContact CD1-O 3.46Å; D102-H110 HydrophobicContact CB-CB 4.17Å; D102-H110 PolarHBondContact N-O 2.7Å; M108-H110 PolarHBondContact O-N 3.27Å
111G91.9Very high90.8Very high8 Ų851.8 Ų51.88%0.08225%0.25CS..EExtended strand (participates in β ladder)trans160.1-168.8178.300000113.5E29 F64 K100E29-G111 WeakPolarHBondContact OE2-CA 3.07Å; E29-G111 PolarHBondContact OE2-N 2.7Å; F64-G111 WeakPolarHBondContact CE2-O 3.43Å; F64-G111 VanDerWaalsContact CZ-CA 3.43Å; K100-G111 CarbonylContact O-C 3.58Å; K100-G111 VanDerWaalsContact O-CA 3.23Å; K100-G111 WeakPolarHBondContact O-CA 3.23Å
112K93.5Very high90.5Very high62 Ų6255.5 Ų55.527%0.2726%0.264SS..EExtended strand (participates in β ladder)trans-116.8134.9174.3-67172.6163.8-101.20110.4E29 F64 K100 W114 E129E29-K112 WeakPolarHBondContact OE1-CE 3.48Å; E29-K112 VanDerWaalsContact OE1-CG 3.26Å; E29-K112 WeakPolarHBondContact OE1-CG 3.41Å; F64-K112 VanDerWaalsContact CZ-N 3.32Å; K100-K112 PolarHBondContact N-O 2.98Å; K100-K112 PolarHBondContact O-N 2.73Å; K112-W114 HydrophobicContact CB-CH2 3.71Å; K112-W114 HydrophobicContact CB-CZ2 4.24Å; K112-W114 HydrophobicContact CB-CZ3 4.03Å; K112-W114 HydrophobicContact CD-CH2 4.44Å; K112-W114 WeakPolarHBondContact O-CZ3 3.49Å; K112-E129 IonicContact NZ-OE1 3.56Å; K112-E129 PolarHBondContact NZ-OE1 3.49Å; K112-E129 IonicContact NZ-OE2 3.69Å
113A94.6Very high90.3Very high0 Ų060.6 Ų60.60%029%0.288CS..EExtended strand (participates in β ladder)trans-118.615317500000109.8L63 F64 K98 V130L63-A113 HydrophobicContact CD2-CB 4.13Å; F64-A113 HydrophobicContact CE2-CB 4.2Å; F64-A113 HydrophobicContact CZ-CB 4.3Å; K98-A113 CarbonylContact O-C 3.5Å; K98-A113 WeakPolarHBondContact O-CA 3.46Å; A113-V130 HydrophobicContact CB-CB 4.13Å; A113-V130 HydrophobicContact CB-CG2 4Å; A113-V130 PolarHBondContact O-N 2.86Å
114W95.7Very high90.4Very high57 Ų5754.8 Ų54.822%0.21627%0.267CS..EExtended strand (participates in β ladder)trans-126.5146.7170.1-61.4-99.3000108.8T97 K98 K100 K112 V127 K128T97-W114 PolarHBondContact N-O 2.77Å; T97-W114 PolarHBondContact OG1-O 3.1Å; K98-W114 HydrophobicContact CB-CB 4.22Å; K98-W114 HydrophobicContact CB-CE3 4.04Å; K98-W114 HydrophobicContact CD-CE3 4.03Å; K98-W114 HydrophobicContact CD-CZ3 4.42Å; K98-W114 HydrophobicContact CG-CE3 3.86Å; K98-W114 HydrophobicContact CG-CZ3 4.31Å; K98-W114 PolarHBondContact N-O 3.45Å; K98-W114 VanDerWaalsContact N-O 3.16Å; K98-W114 PolarHBondContact O-N 2.96Å; K100-W114 HydrophobicContact CB-CH2 3.84Å; K100-W114 HydrophobicContact CB-CZ3 3.55Å; K100-W114 HydrophobicContact CD-CH2 4.28Å; K112-W114 HydrophobicContact CB-CH2 3.71Å; K112-W114 HydrophobicContact CB-CZ2 4.24Å; K112-W114 HydrophobicContact CB-CZ3 4.03Å; K112-W114 HydrophobicContact CD-CH2 4.44Å; K112-W114 WeakPolarHBondContact O-CZ3 3.49Å; W114-V127 HydrophobicContact CB-CG1 3.79Å; W114-K128 CarbonylContact C-O 3.56Å; W114-K128 VanDerWaalsContact CA-O 3.23Å; W114-K128 WeakPolarHBondContact CA-O 3.4Å
115G95.4Very high90.4Very high0 Ų061.7 Ų61.70%029%0.292CS..EExtended strand (participates in β ladder)trans-165178.5-177.300000112.8W94 E95 V127 K128W94-G115 WeakPolarHBondContact CZ3-O 3.49Å; E95-G115 CarbonylContact O-C 3.39Å; E95-G115 WeakPolarHBondContact O-CA 3.44Å; G115-V127 CarbonylContact O-C 3.48Å; G115-V127 WeakPolarHBondContact O-CA 3.32Å; G115-K128 PolarHBondContact N-O 3.43Å; G115-K128 PolarHBondContact O-N 3.11Å
116I94.6Very high90.6Very high34 Ų3468 Ų6817%0.17432%0.319CS..EExtended strand (participates in β ladder)trans-97.7127.8172.8-58.9172.1000107.4W94 E95 T97 Q123 E124 V127W94-I116 WeakPolarHBondContact CA-O 3.37Å; E95-I116 HydrophobicContact CB-CB 4.48Å; E95-I116 PolarHBondContact N-O 3.05Å; E95-I116 PolarHBondContact O-N 3.14Å; T97-I116 HydrophobicContact CG2-CD1 4.45Å; T97-I116 HydrophobicContact CG2-CG1 4.31Å; I116-Q123 HydrophobicContact CG2-CG 3.98Å; I116-E124 WeakPolarHBondContact CG2-O 3.22Å; I116-V127 HydrophobicContact CG1-CG2 4.01Å
117L94.1Very high90.9Very high22 Ų2262.9 Ų62.912%0.11530%0.301CS..EExtended strand (participates in β ladder)trans-90.6125.8177.8176.658.6000109.8W84 W94 E124W84-L117 HydrophobicContact CH2-CD1 3.72Å; W84-L117 HydrophobicContact CZ2-CD1 4.46Å; W84-L117 HydrophobicContact CZ3-CD1 4.44Å; W94-L117 HydrophobicContact CD2-CB 4.18Å; W94-L117 HydrophobicContact CD2-CD1 4.05Å; W94-L117 HydrophobicContact CE3-CB 3.88Å; W94-L117 HydrophobicContact CG-CD1 4.41Å; W94-L117 HydrophobicContact CH2-CB 3.65Å; W94-L117 HydrophobicContact CH2-CD2 4.22Å; W94-L117 HydrophobicContact CH2-CG 4.35Å; W94-L117 HydrophobicContact CZ2-CB 3.93Å; W94-L117 HydrophobicContact CZ2-CD1 3.95Å; W94-L117 HydrophobicContact CZ2-CD2 3.96Å; W94-L117 HydrophobicContact CZ2-CG 4.16Å; W94-L117 HydrophobicContact CZ3-CB 3.63Å; L117-E124 HydrophobicContact CB-CG 4.3Å; L117-E124 WeakPolarHBondContact O-CB 3.28Å; L117-E124 PolarHBondContact O-N 3.18Å
118T91.6Very high91.1Very high5 Ų560 Ų603%0.03128%0.283CS..EExtended strand (participates in β ladder)trans-105.1112.6158.4-60.10000107.1S92 Y93 K122S92-T118 CarbonylContact C-O 3.55Å; S92-T118 VanDerWaalsContact CA-O 3.24Å; S92-T118 WeakPolarHBondContact CA-O 3.25Å; Y93-T118 HydrophobicContact CE1-CG2 3.94Å; Y93-T118 WeakPolarHBondContact CE2-OG1 3.38Å; Y93-T118 PolarHBondContact N-O 3.39Å; Y93-T118 PolarHBondContact O-N 3.29Å; T118-K122 WeakPolarHBondContact CA-O 3.14Å
119Y89.3Confident91.3Very high81 Ų8159.8 Ų59.832%0.31828%0.281SS..EExtended strand (participates in β ladder)trans-115.7122.1179.1-175.5-110.5000109.5H88 G121 K122H88-Y119 PolarHBondContact NE2-OH 3.37Å; Y119-G121 VanDerWaalsContact C-N 3.26Å; Y119-G121 PolarHBondContact O-N 2.87Å; Y119-K122 PolarHBondContact N-O 3.04Å; Y119-K122 PolarHBondContact O-N 3.23Å
120K86.2Confident91.5Very high72 Ų7258.5 Ų58.531%0.31327%0.274SS..THydrogen-bonded Turntrans51.943.8-176.3-59.6179.6172.4176.40113.2H88 E90 S92 K122H88-K120 WeakPolarHBondContact CD2-CE 3.4Å; H88-K120 VanDerWaalsContact CE1-CE 3.42Å; H88-K120 WeakPolarHBondContact CE1-CE 2.96Å; H88-K120 PolarHBondContact CE1-NZ 3.38Å; H88-K120 VanDerWaalsContact CG-CE 3.49Å; H88-K120 WeakPolarHBondContact NE2-CE 3Å; H88-K120 PolarHBondContact NE2-NZ 3.17Å; E90-K120 HydrophobicContact CB-CB 4.05Å; E90-K120 HydrophobicContact CB-CG 4.46Å; S92-K120 PolarHBondContact OG-N 3.29Å; K120-K122 PolarHBondContact O-N 3.37Å; K120-K122 VanDerWaalsContact O-N 3.16Å
121G84.3Confident91.3Very high16 Ų1661.3 Ų61.317%0.16529%0.287CS..THydrogen-bonded Turntrans73-4-176.900000116P91 Y119P91-G121 PolarHBondContact O-N 3.42Å; Y119-G121 VanDerWaalsContact C-N 3.26Å; Y119-G121 PolarHBondContact O-N 2.87Å
122K86.7Confident91.2Very high105 Ų10565.6 Ų65.646%0.45730%0.303SS..EExtended strand (participates in β ladder)trans-92.5112174.1-63.8-174.1-176.4-1790109.7T118 Y119 K120 E157T118-K122 WeakPolarHBondContact CA-O 3.14Å; Y119-K122 PolarHBondContact N-O 3.04Å; Y119-K122 PolarHBondContact O-N 3.23Å; K120-K122 PolarHBondContact O-N 3.37Å; K120-K122 VanDerWaalsContact O-N 3.16Å; K122-E157 IonicContact NZ-OE1 3.54Å; K122-E157 PolarHBondContact NZ-OE1 3.05Å
123Q88.8Confident91.1Very high121 Ų12163.2 Ų63.257%0.56529%0.294SS*.EExtended strand (participates in β ladder)trans-79.1127176.1-169.9177.916.800110.6I116I116-Q123 HydrophobicContact CG2-CG 3.98Å
124E88.9Confident90.8Very high61 Ų6165.2 Ų65.229%0.28530%0.304SS..EExtended strand (participates in β ladder)trans-75.5146.1168.2-65.1-167.2156.400110.5I116 L117 K128I116-E124 WeakPolarHBondContact CG2-O 3.22Å; L117-E124 HydrophobicContact CB-CG 4.3Å; L117-E124 WeakPolarHBondContact O-CB 3.28Å; L117-E124 PolarHBondContact O-N 3.18Å; E124-K128 IonicContact OE1-NZ 3.68Å; E124-K128 PolarHBondContact OE1-NZ 3.18Å; E124-K128 WeakPolarHBondContact OE2-CD 2.98Å; E124-K128 WeakPolarHBondContact OE2-CE 3.48Å; E124-K128 IonicContact OE2-NZ 2.62Å; E124-K128 PolarHBondContact OE2-NZ 3.37Å
125K88.8Confident90.7Very high210 Ų21067.8 Ų67.891%0.91331%0.314SS*.EExtended strand (participates in β ladder)trans-84.4-19.8179.5-65.5-176.9179.8-179.90113.3
126E92.3Very high90.6Very high140 Ų14068.4 Ų68.465%0.65432%0.317SS*.EExtended strand (participates in β ladder)trans-102.6145.5-172.3-66.3-176.1178.300111.7K128E126-K128 PolarHBondContact O-N 2.86Å
127V92.8Very high90.6Very high80 Ų8067.5 Ų67.549%0.48531%0.313SS..EExtended strand (participates in β ladder)trans-78.1117.3171.9177.50000108.7T97 W114 G115 I116T97-V127 HydrophobicContact CG2-CG2 4.35Å; T97-V127 VanDerWaalsContact OG1-CG1 3.32Å; T97-V127 WeakPolarHBondContact OG1-CG1 3.47Å; W114-V127 HydrophobicContact CB-CG1 3.79Å; G115-V127 CarbonylContact O-C 3.48Å; G115-V127 WeakPolarHBondContact O-CA 3.32Å; I116-V127 HydrophobicContact CG1-CG2 4.01Å
128K93.3Very high90.7Very high56 Ų5666.6 Ų66.624%0.24331%0.308CS..EExtended strand (participates in β ladder)trans-111.2158179.2-66.4-169.5-173.4170.50112W94 W114 G115 E124 E126 V130 E202W94-K128 HydrophobicContact CH2-CB 4.04Å; W94-K128 HydrophobicContact CZ3-CB 4.16Å; W114-K128 CarbonylContact C-O 3.56Å; W114-K128 VanDerWaalsContact CA-O 3.23Å; W114-K128 WeakPolarHBondContact CA-O 3.4Å; G115-K128 PolarHBondContact N-O 3.43Å; G115-K128 PolarHBondContact O-N 3.11Å; E124-K128 IonicContact OE1-NZ 3.68Å; E124-K128 PolarHBondContact OE1-NZ 3.18Å; E124-K128 WeakPolarHBondContact OE2-CD 2.98Å; E124-K128 WeakPolarHBondContact OE2-CE 3.48Å; E124-K128 IonicContact OE2-NZ 2.62Å; E124-K128 PolarHBondContact OE2-NZ 3.37Å; E126-K128 PolarHBondContact O-N 2.86Å; K128-V130 PolarHBondContact O-N 3.06Å; K128-E202 IonicContact NZ-OE1 2.81Å; K128-E202 PolarHBondContact NZ-OE1 3.03Å
129E93.7Very high90.8Very high83 Ų8371.2 Ų71.239%0.38833%0.325SS..EExtended strand (participates in β ladder)trans-68.3125.3170.7-174.817217400108.9K112 E131K112-E129 IonicContact NZ-OE1 3.56Å; K112-E129 PolarHBondContact NZ-OE1 3.49Å; K112-E129 IonicContact NZ-OE2 3.69Å; E129-E131 PolarHBondContact O-N 3.42Å
130V92.8Very high91Very high3 Ų370.2 Ų70.22%0.01833%0.325CS..PPolyproline II helixtrans-68.5122.1178.2-176.40000108.1L63 W94 A113 K128 V133 W138L63-V130 HydrophobicContact CD2-CG1 4.05Å; W94-V130 HydrophobicContact CD2-CG1 4.22Å; W94-V130 HydrophobicContact CD2-CG2 3.98Å; W94-V130 HydrophobicContact CE3-CG2 3.84Å; W94-V130 HydrophobicContact CG-CG1 4.27Å; W94-V130 HydrophobicContact CG-CG2 4.4Å; W94-V130 HydrophobicContact CZ3-CG2 4.23Å; A113-V130 HydrophobicContact CB-CB 4.13Å; A113-V130 HydrophobicContact CB-CG2 4Å; A113-V130 PolarHBondContact O-N 2.86Å; K128-V130 PolarHBondContact O-N 3.06Å; V130-V133 HydrophobicContact CB-CG2 4.11Å; V130-V133 HydrophobicContact CG1-CG2 4.09Å; V130-V133 WeakPolarHBondContact O-CG2 3.19Å; V130-W138 HydrophobicContact CG1-CH2 3.32Å; V130-W138 HydrophobicContact CG1-CZ2 3.67Å; V130-W138 HydrophobicContact CG1-CZ3 4.37Å
131E88.3Confident91.3Very high72 Ų7267 Ų6734%0.33631%0.311SS..SBendtrans-86.4163.6-177.8-48.1-176.7168.600111.1R81 E129 V133 W138 R205R81-E131 PolarHBondContact NH2-O 2.58Å; E129-E131 PolarHBondContact O-N 3.42Å; E131-V133 PolarHBondContact O-N 2.83Å; E131-W138 WeakPolarHBondContact O-CZ2 3.49Å; E131-R205 VanDerWaalsContact CD-CZ 3.46Å; E131-R205 IonicContact OE1-CZ 3.62Å; E131-R205 IonicContact OE1-NH1 2.85Å; E131-R205 PolarHBondContact OE1-NH1 3.37Å; E131-R205 IonicContact OE1-NH2 3.5Å; E131-R205 PolarHBondContact OE1-NH2 3.4Å; E131-R205 IonicContact OE2-CZ 2.86Å; E131-R205 IonicContact OE2-NH1 3.43Å; E131-R205 PolarHBondContact OE2-NH1 2.92Å; E131-R205 IonicContact OE2-NH2 2.91Å
132K89.5Confident91.7Very high97 Ų9768.8 Ų68.842%0.42232%0.32SS..  trans52.230.4172.5-57.1178-178.8178.20113.6M134 Y135 W138K132-M134 PolarHBondContact O-N 3.17Å; K132-M134 VanDerWaalsContact O-N 3.17Å; K132-Y135 HydrophobicContact CB-CD1 4.18Å; K132-Y135 HydrophobicContact CB-CD2 4.07Å; K132-Y135 HydrophobicContact CB-CE2 4.4Å; K132-Y135 HydrophobicContact CB-CG 3.95Å; K132-Y135 HydrophobicContact CD-CD2 4.05Å; K132-Y135 HydrophobicContact CD-CE2 3.8Å; K132-Y135 HydrophobicContact CG-CD2 4.34Å; K132-Y135 HydrophobicContact CG-CE2 4.19Å; K132-Y135 WeakPolarHBondContact O-CB 3.44Å; K132-Y135 PolarHBondContact O-N 2.94Å; K132-W138 PolarHBondContact O-NE1 3.41Å
133V91.7Very high91.8Very high13 Ų1370.3 Ų70.38%0.07933%0.326CS..THydrogen-bonded Turntrans-53.2-36.6176.7171.30000112.2L63 F64 V130 E131 Y135L63-V133 HydrophobicContact CB-CG1 4.12Å; L63-V133 HydrophobicContact CD2-CG1 4.29Å; L63-V133 HydrophobicContact CD2-CG2 4.25Å; L63-V133 PolarHBondContact N-O 2.63Å; F64-V133 HydrophobicContact CD2-CG1 3.16Å; F64-V133 HydrophobicContact CE2-CG1 3.21Å; F64-V133 HydrophobicContact CG-CG1 4.48Å; V130-V133 HydrophobicContact CB-CG2 4.11Å; V130-V133 HydrophobicContact CG1-CG2 4.09Å; V130-V133 WeakPolarHBondContact O-CG2 3.19Å; E131-V133 PolarHBondContact O-N 2.83Å; V133-Y135 VanDerWaalsContact C-N 3.25Å; V133-Y135 PolarHBondContact O-N 3.4Å
134M89.3Confident91.9Very high42 Ų4270 Ų7021%0.20733%0.328CS..THydrogen-bonded Turntrans-77.1-3.8-178.367-76.3171.200114.5Y33 K132Y33-M134 HydrophobicContact CD1-CB 3.89Å; Y33-M134 HydrophobicContact CD1-CG 3.63Å; Y33-M134 HydrophobicContact CD2-CB 4.2Å; Y33-M134 HydrophobicContact CE1-CB 4.37Å; Y33-M134 HydrophobicContact CE1-CE 4.5Å; Y33-M134 HydrophobicContact CE1-CG 3.75Å; Y33-M134 HydrophobicContact CE1-SD 4.12Å; Y33-M134 HydrophobicContact CG-CB 3.78Å; Y33-M134 HydrophobicContact CG-CG 4.07Å; K132-M134 PolarHBondContact O-N 3.17Å; K132-M134 VanDerWaalsContact O-N 3.17Å
135Y92.5Very high91.8Very high110 Ų11071.1 Ų71.143%0.43134%0.335SS..SBendtrans-78.9146.7179.1-77.621.1000109.8K132 V133 D137K132-Y135 HydrophobicContact CB-CD1 4.18Å; K132-Y135 HydrophobicContact CB-CD2 4.07Å; K132-Y135 HydrophobicContact CB-CE2 4.4Å; K132-Y135 HydrophobicContact CB-CG 3.95Å; K132-Y135 HydrophobicContact CD-CD2 4.05Å; K132-Y135 HydrophobicContact CD-CE2 3.8Å; K132-Y135 HydrophobicContact CG-CD2 4.34Å; K132-Y135 HydrophobicContact CG-CE2 4.19Å; K132-Y135 WeakPolarHBondContact O-CB 3.44Å; K132-Y135 PolarHBondContact O-N 2.94Å; V133-Y135 VanDerWaalsContact C-N 3.25Å; V133-Y135 PolarHBondContact O-N 3.4Å; Y135-D137 VanDerWaalsContact C-N 3.28Å; Y135-D137 PolarHBondContact O-N 3.43Å
136H93.2Very high91.8Very high14 Ų1462.5 Ų62.57%0.06530%0.298CS..SBendtrans-87.572.5171.6-60.771.5000108.5Y37 D56 V57 E60 R62Y37-H136 AromaticContact CE1-NE2 3.56Å; Y37-H136 AromaticContact CZ-NE2 3.72Å; Y37-H136 PolarHBondContact OH-NE2 3.04Å; Y37-H136 VanDerWaalsContact OH-NE2 3.16Å; D56-H136 WeakPolarHBondContact CB-O 3.49Å; V57-H136 HydrophobicContact CG2-CB 4.3Å; V57-H136 PolarHBondContact O-CD2 3.48Å; V57-H136 VanDerWaalsContact O-CD2 3.31Å; E60-H136 HydrophobicContact CB-CB 4.36Å; E60-H136 WeakPolarHBondContact CB-O 3.22Å; R62-H136 PolarHBondContact NE-CE1 2.98Å; R62-H136 PolarHBondContact NE-NE2 3.05Å
137D94.6Very high91.4Very high15 Ų1562.6 Ų62.68%0.0830%0.298CS..  trans-143.61-174.7-172.623.2000110.8S61 R81 K82 S83 Y135S61-D137 PolarHBondContact O-N 3.4Å; R81-D137 CarbonylContact C-O 3.52Å; R81-D137 WeakPolarHBondContact CA-O 3.3Å; K82-D137 WeakPolarHBondContact CA-OD1 3.42Å; K82-D137 VanDerWaalsContact CB-OD1 3.25Å; K82-D137 WeakPolarHBondContact CB-OD1 3.08Å; K82-D137 PolarHBondContact N-O 2.81Å; K82-D137 PolarHBondContact N-OD1 2.95Å; S83-D137 VanDerWaalsContact CB-OD2 3.32Å; S83-D137 WeakPolarHBondContact CB-OD2 3.49Å; S83-D137 PolarHBondContact N-OD1 3.2Å; S83-D137 PolarHBondContact OG-OD2 3.33Å; Y135-D137 VanDerWaalsContact C-N 3.28Å; Y135-D137 PolarHBondContact O-N 3.43Å
138W95.3Very high91Very high3 Ų365.4 Ų65.41%0.01131%0.306CS..EExtended strand (participates in β ladder)trans-92.5138.8-169.2-67.594.6000111.6S61 L63 L66 F79 R81 W94 V130 E131 K132S61-W138 PolarHBondContact O-N 3.22Å; L63-W138 HydrophobicContact CB-CB 4.34Å; L63-W138 HydrophobicContact CB-CD2 3.91Å; L63-W138 HydrophobicContact CB-CG 3.74Å; L63-W138 HydrophobicContact CD1-CB 4.41Å; L63-W138 HydrophobicContact CD1-CD2 3.92Å; L63-W138 HydrophobicContact CD1-CE3 3.83Å; L63-W138 HydrophobicContact CD1-CG 4.19Å; L63-W138 HydrophobicContact CD1-CZ3 4.33Å; L63-W138 HydrophobicContact CD2-CD2 4.49Å; L63-W138 HydrophobicContact CD2-CH2 4.33Å; L63-W138 HydrophobicContact CD2-CZ2 4.21Å; L63-W138 HydrophobicContact CG-CD2 4.32Å; L66-W138 HydrophobicContact CD1-CB 4.15Å; F79-W138 HydrophobicContact CB-CE3 4.02Å; F79-W138 HydrophobicContact CB-CZ3 4.19Å; R81-W138 HydrophobicContact CG-CD2 4.14Å; R81-W138 HydrophobicContact CG-CE3 3.88Å; R81-W138 HydrophobicContact CG-CH2 4.39Å; R81-W138 HydrophobicContact CG-CZ3 4.02Å; R81-W138 VanDerWaalsContact NE-CH2 3.3Å; R81-W138 VanDerWaalsContact NE-CZ2 3.25Å; R81-W138 VanDerWaalsContact NH2-CH2 3.28Å; W94-W138 AromaticContact CD1-CH2 3.58Å; W94-W138 AromaticContact CD1-CZ3 3.7Å; W94-W138 HydrophobicContact CG-CH2 4.35Å; W94-W138 HydrophobicContact CG-CZ3 4.4Å; W94-W138 AromaticContact NE1-CH2 3.95Å; V130-W138 HydrophobicContact CG1-CH2 3.32Å; V130-W138 HydrophobicContact CG1-CZ2 3.67Å; V130-W138 HydrophobicContact CG1-CZ3 4.37Å; E131-W138 WeakPolarHBondContact O-CZ2 3.49Å; K132-W138 PolarHBondContact O-NE1 3.41Å
139R94.3Very high90.5Very high101 Ų10165 Ų6538%0.38130%0.304SS..EExtended strand (participates in β ladder)trans-131.8140.1173.9-65.5-176.3176.5176.3-1.3110.1E60 F79 T80E60-R139 IonicContact OE1-CZ 3.78Å; E60-R139 IonicContact OE1-NE 3.86Å; E60-R139 IonicContact OE1-NH2 2.73Å; E60-R139 PolarHBondContact OE1-NH2 2.74Å; E60-R139 IonicContact OE2-CZ 2.7Å; E60-R139 IonicContact OE2-NE 2.65Å; E60-R139 PolarHBondContact OE2-NE 2.85Å; E60-R139 IonicContact OE2-NH2 3.97Å; E60-R139 PolarHBondContact OE2-NH2 3.41Å; F79-R139 WeakPolarHBondContact CA-O 3.41Å; T80-R139 HydrophobicContact CG2-CB 4.16Å; T80-R139 PolarHBondContact N-O 2.89Å; T80-R139 PolarHBondContact O-N 2.97Å
140L94.3Very high89.9Confident61 Ų6166.1 Ų66.132%0.31931%0.308SS..EExtended strand (participates in β ladder)trans-81134.2174.4175.567.2000109.3M70 R77 F79 P142M70-L140 HydrophobicContact CE-CD1 4.4Å; M70-L140 HydrophobicContact SD-CD1 4.14Å; M70-L140 HydrophobicContact SD-CD2 3.95Å; R77-L140 HydrophobicContact CB-CD1 4.28Å; F79-L140 HydrophobicContact CD1-CB 4.35Å; F79-L140 HydrophobicContact CD1-CD1 4.1Å; F79-L140 HydrophobicContact CE1-CB 4.16Å; F79-L140 HydrophobicContact CE1-CD1 3.55Å; F79-L140 HydrophobicContact CE1-CG 4.43Å; F79-L140 HydrophobicContact CE2-CD1 4.25Å; F79-L140 HydrophobicContact CZ-CD1 3.62Å; L140-P142 WeakPolarHBondContact O-CD 3.39Å
141I92.6Very high89.4Confident4 Ų471.7 Ų71.72%0.02134%0.338CS..PPolyproline II helixtrans-84.4123169.8-62.1169.6000108.4R77 M78 T80 Y93 M145 E146 F149R77-I141 PolarHBondContact NH2-O 3.01Å; M78-I141 HydrophobicContact CB-CB 4.3Å; M78-I141 HydrophobicContact CB-CD1 4.05Å; M78-I141 PolarHBondContact O-N 3.24Å; T80-I141 HydrophobicContact CG2-CD1 4.32Å; T80-I141 HydrophobicContact CG2-CG1 4.02Å; Y93-I141 HydrophobicContact CG-CD1 4.36Å; I141-M145 HydrophobicContact CG2-CB 4.21Å; I141-E146 HydrophobicContact CG2-CG 3.89Å; I141-F149 HydrophobicContact CD1-CD1 4.1Å; I141-F149 HydrophobicContact CD1-CE1 4.27Å; I141-F149 HydrophobicContact CD1-CG 4.27Å; I141-F149 HydrophobicContact CG2-CD2 4.09Å; I141-F149 HydrophobicContact CG2-CE2 4.25Å
142P92.2Very high89.1Confident54 Ų5471.7 Ų71.735%0.35134%0.336SS..PPolyproline II helixtrans-61.5144.6172.7-2334.9000112.1L140 D144 M145 E146L140-P142 WeakPolarHBondContact O-CD 3.39Å; P142-D144 VanDerWaalsContact CB-OD1 3.22Å; P142-D144 WeakPolarHBondContact CB-OD1 3.42Å; P142-D144 PolarHBondContact O-N 3.32Å; P142-M145 HydrophobicContact CG-SD 4.3Å; P142-M145 PolarHBondContact O-N 2.73Å; P142-E146 WeakPolarHBondContact O-CG 3.43Å; P142-E146 PolarHBondContact O-N 3.16Å; P142-E146 VanDerWaalsContact O-N 3.13Å
143K89.4Confident88.3Confident137 Ų13775.2 Ų75.260%0.59636%0.355SS*.THydrogen-bonded Turntrans-59.4-33.8-173-70.7-172.2174.4-177.50113.7R77 M145 E146R77-K143 VanDerWaalsContact CZ-CG 3.43Å; K143-M145 VanDerWaalsContact C-N 3.3Å; K143-E146 WeakPolarHBondContact O-CB 3.19Å; K143-E146 PolarHBondContact O-N 3.39Å
144D90.1Very high87.5Confident114 Ų11477.8 Ų77.861%0.6137%0.372SS*.THydrogen-bonded Turntrans-64.3-33.4176.439.9-61.2000112.2P142P142-D144 VanDerWaalsContact CB-OD1 3.22Å; P142-D144 WeakPolarHBondContact CB-OD1 3.42Å; P142-D144 PolarHBondContact O-N 3.32Å
145M87.4Confident86.8Confident85 Ų8582.5 Ų82.542%0.41940%0.397SS..THydrogen-bonded Turntrans-89.3-18.5177.2-62.7-178.2179.500112.7I141 P142 K143 Q147 Q148 F149I141-M145 HydrophobicContact CG2-CB 4.21Å; P142-M145 HydrophobicContact CG-SD 4.3Å; P142-M145 PolarHBondContact O-N 2.73Å; K143-M145 VanDerWaalsContact C-N 3.3Å; M145-Q147 PolarHBondContact O-N 3.16Å; M145-Q147 VanDerWaalsContact O-N 3.11Å; M145-Q148 WeakPolarHBondContact O-CB 3.39Å; M145-Q148 PolarHBondContact O-N 2.99Å; M145-F149 HydrophobicContact CB-CD2 4.43Å; M145-F149 HydrophobicContact CB-CE2 4.35Å; M145-F149 WeakPolarHBondContact O-CD2 3.44Å; M145-F149 PolarHBondContact O-N 3.43Å
146E87.6Confident86Confident29 Ų2982.8 Ų82.814%0.13641%0.412CS..Hα-helixtrans-53.7-34.6-176.1-78.2-174.9-168.400113.9R77 M78 I141 P142 K143 K150R77-E146 IonicContact CZ-OE1 3.6Å; R77-E146 IonicContact NE-OE1 3.49Å; R77-E146 PolarHBondContact NE-OE1 2.83Å; R77-E146 IonicContact NH2-OE1 2.7Å; R77-E146 PolarHBondContact NH2-OE1 3.16Å; M78-E146 HydrophobicContact CB-CG 4.49Å; M78-E146 HydrophobicContact CE-CB 3.35Å; M78-E146 HydrophobicContact CE-CG 3.45Å; M78-E146 VanDerWaalsContact CE-CG 3.45Å; M78-E146 WeakPolarHBondContact CE-OE2 3.47Å; I141-E146 HydrophobicContact CG2-CG 3.89Å; P142-E146 WeakPolarHBondContact O-CG 3.43Å; P142-E146 PolarHBondContact O-N 3.16Å; P142-E146 VanDerWaalsContact O-N 3.13Å; K143-E146 WeakPolarHBondContact O-CB 3.19Å; K143-E146 PolarHBondContact O-N 3.39Å; E146-K150 WeakPolarHBondContact O-CG 3.42Å; E146-K150 PolarHBondContact O-N 3.31Å
147Q85.3Confident84.9Confident142 Ų14288.9 Ų88.966%0.66444%0.441SS*.Hα-helixtrans-67.9-43.8177.2-68.5-179.8-14.400111.9M145 F149 K150 D151M145-Q147 PolarHBondContact O-N 3.16Å; M145-Q147 VanDerWaalsContact O-N 3.11Å; Q147-F149 PolarHBondContact O-N 2.69Å; Q147-K150 WeakPolarHBondContact O-CA 3.43Å; Q147-K150 WeakPolarHBondContact O-CB 3.25Å; Q147-K150 PolarHBondContact O-N 3.17Å; Q147-D151 PolarHBondContact O-N 3.13Å
148Q84.6Confident83.9Confident139 Ų13993 Ų9365%0.6547%0.468SS*.Hα-helixtrans-61-35.4179.8-59.1174.912.400112M145 K150M145-Q148 WeakPolarHBondContact O-CB 3.39Å; M145-Q148 PolarHBondContact O-N 2.99Å; Q148-K150 VanDerWaalsContact C-N 3.32Å
149F81.5Confident83Confident48 Ų4898.4 Ų98.421%0.21150%0.503CS..Hα-helixtrans-71.6-25.4175.3-81.8-97.7000113.1P91 Y93 I141 M145 Q147P91-F149 HydrophobicContact CB-CB 4.46Å; P91-F149 HydrophobicContact CB-CD1 3.6Å; P91-F149 HydrophobicContact CB-CE1 4.31Å; P91-F149 HydrophobicContact CB-CG 4.42Å; Y93-F149 HydrophobicContact CD1-CB 4.28Å; Y93-F149 HydrophobicContact CD1-CD1 4.28Å; Y93-F149 HydrophobicContact CE1-CB 4.07Å; I141-F149 HydrophobicContact CD1-CD1 4.1Å; I141-F149 HydrophobicContact CD1-CE1 4.27Å; I141-F149 HydrophobicContact CD1-CG 4.27Å; I141-F149 HydrophobicContact CG2-CD2 4.09Å; I141-F149 HydrophobicContact CG2-CE2 4.25Å; M145-F149 HydrophobicContact CB-CD2 4.43Å; M145-F149 HydrophobicContact CB-CE2 4.35Å; M145-F149 WeakPolarHBondContact O-CD2 3.44Å; M145-F149 PolarHBondContact O-N 3.43Å; Q147-F149 PolarHBondContact O-N 2.69Å
150K82.3Confident82.2Confident105 Ų10596.3 Ų96.346%0.45750%0.502SS..Hα-helixtrans-84.2-31.8178.1-77.9178.1166.3175.30112.9M78 E146 Q147 Q148 F152M78-K150 HydrophobicContact CE-CD 3.99Å; M78-K150 HydrophobicContact CE-CG 4.32Å; M78-K150 HydrophobicContact SD-CG 4.44Å; E146-K150 WeakPolarHBondContact O-CG 3.42Å; E146-K150 PolarHBondContact O-N 3.31Å; Q147-K150 WeakPolarHBondContact O-CA 3.43Å; Q147-K150 WeakPolarHBondContact O-CB 3.25Å; Q147-K150 PolarHBondContact O-N 3.17Å; Q148-K150 VanDerWaalsContact C-N 3.32Å; K150-F152 PolarHBondContact O-N 3.41Å; K150-F152 VanDerWaalsContact O-N 3.13Å
151D81.8Confident81.6Confident121 Ų121102.4 Ų102.465%0.64752%0.521SS*.SBendtrans-74.70.7-175-63.9-24.9000113.9Q147 Q153Q147-D151 PolarHBondContact O-N 3.13Å; D151-Q153 PolarHBondContact O-N 3.35Å
152F80.9Confident81.3Confident71 Ų71109.5 Ų109.531%0.31155%0.548SS..PPolyproline II helixtrans-67.6119.3179.3-179.3-96.8000111.9E90 P91 K150 P154E90-F152 HydrophobicContact CB-CE1 4.16Å; E90-F152 HydrophobicContact CB-CZ 3.95Å; E90-F152 HydrophobicContact CG-CE1 4.15Å; E90-F152 HydrophobicContact CG-CE2 4.44Å; E90-F152 HydrophobicContact CG-CZ 3.62Å; P91-F152 VanDerWaalsContact CD-CG 3.43Å; P91-F152 HydrophobicContact CG-CB 3.43Å; P91-F152 VanDerWaalsContact CG-CB 3.43Å; P91-F152 HydrophobicContact CG-CD1 3.8Å; P91-F152 HydrophobicContact CG-CD2 4.11Å; P91-F152 HydrophobicContact CG-CG 3.51Å; K150-F152 PolarHBondContact O-N 3.41Å; K150-F152 VanDerWaalsContact O-N 3.13Å; F152-P154 HydrophobicContact CE1-CB 4.44Å; F152-P154 WeakPolarHBondContact O-CD 3.35Å
153Q74.6Confident81.1Confident172 Ų172109.8 Ų109.880%0.80455%0.549SS*.PPolyproline II helixtrans-85117.3170.6-70.9-175.2-3.800109.6D151 L155D151-Q153 PolarHBondContact O-N 3.35Å; Q153-L155 PolarHBondContact O-N 3.05Å
154P74.4Confident81.1Confident67 Ų67107.2 Ų107.244%0.43555%0.546SS..PPolyproline II helixtrans-63.4133.8176.426.8-33000109.6F152F152-P154 HydrophobicContact CE1-CB 4.44Å; F152-P154 WeakPolarHBondContact O-CD 3.35Å
155L73.8Confident81Confident141 Ų141104.8 Ų104.874%0.73853%0.529SS*.PPolyproline II helixtrans-56.2141.3170.4-75.2160.7000109.4Q153 E157Q153-L155 PolarHBondContact O-N 3.05Å; L155-E157 PolarHBondContact O-N 3.38Å
156P75.1Confident81.2Confident116 Ų116104 Ų10475%0.75353%0.53SS*.PPolyproline II helixtrans-57.5141.4178.224.4-33000109.8
157E70.8Confident81.4Confident142 Ų142108 Ų10866%0.66456%0.559SS**PPolyproline II helixtrans-57.9131.3178.1-64.6-171.6166.700109.4K122 L155K122-E157 IonicContact NZ-OE1 3.54Å; K122-E157 PolarHBondContact NZ-OE1 3.05Å; L155-E157 PolarHBondContact O-N 3.38Å
158P73.1Confident81.8Confident101 Ų101107.4 Ų107.466%0.65656%0.559SS**PPolyproline II helixtrans-60.5143-18025.2-33.3000109.4
159P76.6Confident82Confident116 Ų116104.9 Ų104.975%0.75355%0.55SS**PPolyproline II helixtrans-59149.818025.1-34000110.8R161P159-R161 PolarHBondContact O-N 3.01Å
160V77.7Confident82.4Confident57 Ų57107.4 Ų107.435%0.34556%0.558SS.*PPolyproline II helixtrans-56.2116.9178.2179.60000109Y162 P192 Q194V160-Y162 HydrophobicContact CB-CE2 4.47Å; V160-Y162 HydrophobicContact CG1-CE2 4.33Å; V160-Y162 WeakPolarHBondContact O-CD2 3.37Å; V160-Y162 WeakPolarHBondContact O-CE2 3.28Å; V160-P192 HydrophobicContact CG1-CB 3.95Å; V160-Q194 HydrophobicContact CG1-CB 4.01Å; V160-Q194 HydrophobicContact CG2-CB 4.43Å; V160-Q194 HydrophobicContact CG2-CG 4.43Å
161R82.1Confident82.7Confident189 Ų189105 Ų10571%0.71356%0.558SS**PPolyproline II helixtrans-80.6140.6175.6-67.1-175.7-178.7-173.40.2109.4P159 L193P159-R161 PolarHBondContact O-N 3.01Å; R161-L193 HydrophobicContact CB-CD1 4.2Å; R161-L193 VanDerWaalsContact O-CB 3.22Å; R161-L193 WeakPolarHBondContact O-CB 3.33Å; R161-L193 PolarHBondContact O-N 3.49Å
162Y85.6Confident83Confident153 Ų153103.9 Ų103.960%0.655%0.55SS**EExtended strand (participates in β ladder)trans-107.2138.6175.8-66.6-96.4000109.4V160 A190 L191 P192V160-Y162 HydrophobicContact CB-CE2 4.47Å; V160-Y162 HydrophobicContact CG1-CE2 4.33Å; V160-Y162 WeakPolarHBondContact O-CD2 3.37Å; V160-Y162 WeakPolarHBondContact O-CE2 3.28Å; Y162-A190 HydrophobicContact CD1-CB 4.35Å; Y162-L191 WeakPolarHBondContact CA-O 3.46Å; Y162-P192 HydrophobicContact CD1-CB 3.97Å; Y162-P192 HydrophobicContact CE1-CB 3.63Å; Y162-P192 HydrophobicContact CE1-CG 4.4Å
163V88.8Confident83.4Confident60 Ų60102.2 Ų102.236%0.36454%0.544SS..EExtended strand (participates in β ladder)trans-123.5141.8178.11750000109.3L191 L193V163-L191 PolarHBondContact N-O 3.37Å; V163-L191 PolarHBondContact O-N 2.86Å; V163-L193 HydrophobicContact CB-CD1 4.48Å; V163-L193 HydrophobicContact CB-CD2 4.18Å; V163-L193 HydrophobicContact CB-CG 4.19Å; V163-L193 HydrophobicContact CG2-CD1 3.35Å; V163-L193 HydrophobicContact CG2-CD2 3.86Å; V163-L193 HydrophobicContact CG2-CG 3.53Å
164P88.6Confident83.9Confident84 Ų8497.6 Ų97.655%0.54552%0.524SS..EExtended strand (participates in β ladder)trans-58.8146.3175.524-35.4000111.8
165Y87.9Confident84.5Confident62 Ų6297 Ų9724%0.24353%0.525CS..PPolyproline II helixtrans-62.5148.4171.1-78.6-96000110.9L169 I173 P189 L191Y165-L169 HydrophobicContact CD1-CB 4.23Å; Y165-I173 HydrophobicContact CD1-CD1 3.71Å; Y165-I173 HydrophobicContact CD2-CD1 4.1Å; Y165-I173 HydrophobicContact CE1-CD1 3.7Å; Y165-I173 HydrophobicContact CE2-CD1 4.12Å; Y165-I173 HydrophobicContact CG-CD1 3.91Å; Y165-P189 HydrophobicContact CD2-CB 3.77Å; Y165-P189 HydrophobicContact CD2-CG 4.33Å; Y165-P189 VanDerWaalsContact CD2-O 3.32Å; Y165-P189 WeakPolarHBondContact CD2-O 3.44Å; Y165-P189 HydrophobicContact CE2-CB 3.87Å; Y165-L191 HydrophobicContact CD1-CD1 3.51Å; Y165-L191 HydrophobicContact CD1-CD2 3.92Å; Y165-L191 HydrophobicContact CD1-CG 3.54Å; Y165-L191 HydrophobicContact CD2-CD1 4.41Å; Y165-L191 HydrophobicContact CD2-CG 3.89Å; Y165-L191 HydrophobicContact CE1-CD1 3.76Å; Y165-L191 HydrophobicContact CE1-CD2 3.21Å; Y165-L191 HydrophobicContact CE1-CG 3.32Å; Y165-L191 HydrophobicContact CE2-CB 4.48Å; Y165-L191 HydrophobicContact CE2-CD2 4.12Å; Y165-L191 HydrophobicContact CE2-CG 3.68Å; Y165-L191 HydrophobicContact CG-CD1 3.89Å; Y165-L191 HydrophobicContact CG-CG 3.83Å; Y165-L191 WeakPolarHBondContact OH-CD2 3.49Å
166P92.8Very high85.1Confident68 Ų6896.6 Ų96.644%0.44252%0.519SS..PPolyproline II helixtrans-52.7149.2170.2-2533.2000111.8L168 L169 R170P166-L168 VanDerWaalsContact C-N 3.31Å; P166-L168 PolarHBondContact O-N 2.91Å; P166-L168 VanDerWaalsContact O-N 3.11Å; P166-L169 HydrophobicContact CG-CD1 4.26Å; P166-L169 PolarHBondContact O-N 2.99Å; P166-R170 PolarHBondContact O-N 3.35Å
167P91.6Very high85.4Confident114 Ų11496.5 Ų96.574%0.7450%0.504SS*.Hα-helixtrans-52.3-42.7-167.4-2934.4000115A171P167-A171 WeakPolarHBondContact O-CB 3.39Å; P167-A171 PolarHBondContact O-N 2.94Å
168L92.8Very high85.7Confident129 Ų12992.9 Ų92.968%0.67550%0.504SS*.Hα-helixtrans-67-48.1179.4-179.162.7000112P166 R170 A171 M172P166-L168 VanDerWaalsContact C-N 3.31Å; P166-L168 PolarHBondContact O-N 2.91Å; P166-L168 VanDerWaalsContact O-N 3.11Å; L168-R170 VanDerWaalsContact C-N 3.34Å; L168-R170 PolarHBondContact O-N 3.29Å; L168-A171 PolarHBondContact O-N 3.41Å; L168-M172 HydrophobicContact CD1-CG 4.49Å; L168-M172 HydrophobicContact CD1-SD 4.49Å; L168-M172 HydrophobicContact CG-SD 4.19Å; L168-M172 VanDerWaalsContact O-CG 3.31Å; L168-M172 WeakPolarHBondContact O-CG 3.31Å; L168-M172 PolarHBondContact O-N 3.14Å
169L89.5Confident85.8Confident87 Ų8798.7 Ų98.746%0.45551%0.513SS..Hα-helixtrans-64.8-40.5179.5-72.6174.1000111.2Y165 P166 A171 M172 I173Y165-L169 HydrophobicContact CD1-CB 4.23Å; P166-L169 HydrophobicContact CG-CD1 4.26Å; P166-L169 PolarHBondContact O-N 2.99Å; L169-A171 VanDerWaalsContact C-N 3.35Å; L169-A171 PolarHBondContact O-N 3.41Å; L169-M172 PolarHBondContact O-N 2.8Å; L169-I173 WeakPolarHBondContact O-CB 3.42Å; L169-I173 WeakPolarHBondContact O-CD1 3.46Å; L169-I173 WeakPolarHBondContact O-CG1 3.33Å; L169-I173 PolarHBondContact O-N 3.49Å
170R90.2Very high85.5Confident100 Ų10097.1 Ų97.138%0.37751%0.51SS..Hα-helixtrans-54.6-51.1172.3179.3177.4176.3-101.46.2110.7P166 L168 M172 I173 L174 E188 P189P166-R170 PolarHBondContact O-N 3.35Å; L168-R170 VanDerWaalsContact C-N 3.34Å; L168-R170 PolarHBondContact O-N 3.29Å; R170-M172 PolarHBondContact O-N 3.34Å; R170-I173 PolarHBondContact O-N 2.82Å; R170-L174 HydrophobicContact CG-CD1 4.1Å; R170-L174 VanDerWaalsContact O-CG 3.27Å; R170-L174 WeakPolarHBondContact O-CG 3.35Å; R170-L174 PolarHBondContact O-N 3.3Å; R170-E188 IonicContact CZ-OE1 3.76Å; R170-E188 IonicContact NE-OE1 3.56Å; R170-E188 IonicContact NH2-OE1 2.92Å; R170-E188 PolarHBondContact NH2-OE1 3.01Å; R170-P189 HydrophobicContact CG-CG 4.41Å
171A88Confident84.6Confident55 Ų5598.1 Ų98.146%0.45553%0.532SS..Hα-helixtrans-62.7-42.2179.200000112.6P167 L168 L169 L174 A175P167-A171 WeakPolarHBondContact O-CB 3.39Å; P167-A171 PolarHBondContact O-N 2.94Å; L168-A171 PolarHBondContact O-N 3.41Å; L169-A171 VanDerWaalsContact C-N 3.35Å; L169-A171 PolarHBondContact O-N 3.41Å; A171-L174 PolarHBondContact O-N 3.43Å; A171-A175 WeakPolarHBondContact O-CB 3.37Å; A171-A175 PolarHBondContact O-N 2.98Å
172M89.2Confident83.2Confident98 Ų9891.7 Ų91.748%0.48352%0.524SS..Hα-helixtrans-62.9-44177.5-70.2178.680.600112.3L168 L169 R170 A175 Q176L168-M172 HydrophobicContact CD1-CG 4.49Å; L168-M172 HydrophobicContact CD1-SD 4.49Å; L168-M172 HydrophobicContact CG-SD 4.19Å; L168-M172 VanDerWaalsContact O-CG 3.31Å; L168-M172 WeakPolarHBondContact O-CG 3.31Å; L168-M172 PolarHBondContact O-N 3.14Å; L169-M172 PolarHBondContact O-N 2.8Å; R170-M172 PolarHBondContact O-N 3.34Å; M172-A175 PolarHBondContact O-N 3Å; M172-Q176 WeakPolarHBondContact O-CG 3.46Å; M172-Q176 PolarHBondContact O-N 3.48Å
173I87.6Confident81.6Confident36 Ų3695.5 Ų95.519%0.18554%0.537CS..Hα-helixtrans-63.7-44.8178.5-68.3164.4000110.4Y165 L169 R170 Q176 R177 P189Y165-I173 HydrophobicContact CD1-CD1 3.71Å; Y165-I173 HydrophobicContact CD2-CD1 4.1Å; Y165-I173 HydrophobicContact CE1-CD1 3.7Å; Y165-I173 HydrophobicContact CE2-CD1 4.12Å; Y165-I173 HydrophobicContact CG-CD1 3.91Å; L169-I173 WeakPolarHBondContact O-CB 3.42Å; L169-I173 WeakPolarHBondContact O-CD1 3.46Å; L169-I173 WeakPolarHBondContact O-CG1 3.33Å; L169-I173 PolarHBondContact O-N 3.49Å; R170-I173 PolarHBondContact O-N 2.82Å; I173-Q176 PolarHBondContact O-N 3.12Å; I173-R177 WeakPolarHBondContact O-CG 3.46Å; I173-R177 PolarHBondContact O-N 2.94Å; I173-P189 HydrophobicContact CG2-CB 4.08Å; I173-P189 HydrophobicContact CG2-CG 4.23Å
174L87.1Confident80.1Confident74 Ų7499.1 Ų99.139%0.38756%0.559SS.*Hα-helixtrans-63-42.8177-69.1174000111.6R170 A171 R177 G178R170-L174 HydrophobicContact CG-CD1 4.1Å; R170-L174 VanDerWaalsContact O-CG 3.27Å; R170-L174 WeakPolarHBondContact O-CG 3.35Å; R170-L174 PolarHBondContact O-N 3.3Å; A171-L174 PolarHBondContact O-N 3.43Å; L174-R177 PolarHBondContact O-N 3.09Å; L174-G178 PolarHBondContact O-N 2.98Å; L174-G178 VanDerWaalsContact O-N 3.07Å
175A86.3Confident78.5Confident54 Ų5499 Ų9945%0.44656%0.557SS.*Hα-helixtrans-64.5-39.4177.100000112.8A171 M172 R179A171-A175 WeakPolarHBondContact O-CB 3.37Å; A171-A175 PolarHBondContact O-N 2.98Å; M172-A175 PolarHBondContact O-N 3Å; A175-R179 WeakPolarHBondContact O-CG 3.34Å; A175-R179 PolarHBondContact O-N 3.48Å
176Q85.3Confident77.2Confident133 Ų133102.2 Ų102.262%0.62158%0.583SS**Hα-helixtrans-65.2-43.5175.2-77.9-177.2-3.900112.2M172 I173 G178 R179 A180M172-Q176 WeakPolarHBondContact O-CG 3.46Å; M172-Q176 PolarHBondContact O-N 3.48Å; I173-Q176 PolarHBondContact O-N 3.12Å; Q176-G178 VanDerWaalsContact C-N 3.34Å; Q176-G178 PolarHBondContact O-N 3.45Å; Q176-R179 PolarHBondContact O-N 3Å; Q176-A180 PolarHBondContact O-N 3.37Å; Q176-A180 VanDerWaalsContact O-N 3.14Å
177R81.1Confident76.1Confident115 Ų115106 Ų10643%0.43460%0.595SS.*Hα-helixtrans-61.8-41.7178-73.1174.9-179.6-176.6-1.1111.9I173 L174 R179 A180I173-R177 WeakPolarHBondContact O-CG 3.46Å; I173-R177 PolarHBondContact O-N 2.94Å; L174-R177 PolarHBondContact O-N 3.09Å; R177-R179 VanDerWaalsContact C-N 3.3Å; R177-R179 PolarHBondContact O-N 2.95Å; R177-A180 PolarHBondContact O-N 3.14Å
178G77.1Confident75.5Confident65 Ų65106.4 Ų106.467%0.6759%0.587SS**Hα-helixtrans-64.4-31175.800000113.9L174 Q176L174-G178 PolarHBondContact O-N 2.98Å; L174-G178 VanDerWaalsContact O-N 3.07Å; Q176-G178 VanDerWaalsContact C-N 3.34Å; Q176-G178 PolarHBondContact O-N 3.45Å
179R76.8Confident74.9Confident224 Ų224100.7 Ų100.785%0.84556%0.558SS**Hα-helixtrans-77.7-27.1176.5-73.3-179.8-179-174.90.9113.8A175 Q176 R177 G181A175-R179 WeakPolarHBondContact O-CG 3.34Å; A175-R179 PolarHBondContact O-N 3.48Å; Q176-R179 PolarHBondContact O-N 3Å; R177-R179 VanDerWaalsContact C-N 3.3Å; R177-R179 PolarHBondContact O-N 2.95Å; R179-G181 PolarHBondContact O-N 3.23Å
180A69.6Low74.6Confident83 Ų8398.6 Ų98.669%0.68655%0.553SS**THydrogen-bonded Turntrans-81.57.4-175.300000114.5Q176 R177 G182Q176-A180 PolarHBondContact O-N 3.37Å; Q176-A180 VanDerWaalsContact O-N 3.14Å; R177-A180 PolarHBondContact O-N 3.14Å; A180-G182 PolarHBondContact O-N 3.34Å; A180-G182 VanDerWaalsContact O-N 3.11Å
181G58.5Low74.3Confident77 Ų7796.7 Ų96.779%0.79455%0.55SS*.THydrogen-bonded Turntrans66.611.217500000115.4R179R179-G181 PolarHBondContact O-N 3.23Å
182G52.9Low74.1Confident54 Ų5497.1 Ų97.156%0.55755%0.548SS*.  trans-86.5136.2179.900000112.3A180A180-G182 PolarHBondContact O-N 3.34Å; A180-G182 VanDerWaalsContact O-N 3.11Å
183R52.9Low73.5Confident233 Ų23397.4 Ų97.488%0.87955%0.551SS**  trans-15.2134.1168.4-141171.6-173.3172.31.3113.9V185R183-V185 WeakPolarHBondContact O-CG2 3.49Å; R183-V185 PolarHBondContact O-N 2.94Å
184V55.7Low72.7Confident136 Ų136101.2 Ų101.282%0.82457%0.568SS**  trans-58.185.9172.6-176.50000109.3T186V184-T186 HydrophobicContact CG1-CG2 4.41Å; V184-T186 PolarHBondContact O-N 3.4Å
185V55.3Low71.5Confident81 Ų81108.6 Ų108.649%0.49159%0.591SS.*  trans-86105.4172.1176.10000105.6R183 E187R183-V185 WeakPolarHBondContact O-CG2 3.49Å; R183-V185 PolarHBondContact O-N 2.94Å; V185-E187 HydrophobicContact CG1-CB 3.77Å; V185-E187 HydrophobicContact CG1-CG 3.91Å; V185-E187 PolarHBondContact O-N 3.24Å
186T60.9Low70.1Confident130 Ų130111.7 Ų111.780%0.79860%0.6SS**  trans-71.4-0.4176.934.90000113.5V184 E188V184-T186 HydrophobicContact CG1-CG2 4.41Å; V184-T186 PolarHBondContact O-N 3.4Å; T186-E188 PolarHBondContact O-N 3.03Å
187E70.6Confident68.7Low148 Ų148109.9 Ų109.969%0.69260%0.598SS**PPolyproline II helixtrans-75.3122.1-178.3-60.5-178.7170.600111V185V185-E187 HydrophobicContact CG1-CB 3.77Å; V185-E187 HydrophobicContact CG1-CG 3.91Å; V185-E187 PolarHBondContact O-N 3.24Å
188E77.2Confident67.4Low123 Ų123110 Ų11058%0.57561%0.611SS**PPolyproline II helixtrans-61.5128.5175.5-66.9-150.4124.100110R170 T186 A190R170-E188 IonicContact CZ-OE1 3.76Å; R170-E188 IonicContact NE-OE1 3.56Å; R170-E188 IonicContact NH2-OE1 2.92Å; R170-E188 PolarHBondContact NH2-OE1 3.01Å; T186-E188 PolarHBondContact O-N 3.03Å; E188-A190 PolarHBondContact O-N 3.11Å
189P81.2Confident66.1Low9 Ų9112.6 Ų112.66%0.05860%0.604CS.*PPolyproline II helixtrans-62.9125.8173.427.4-32.3000108.2Y165 R170 I173Y165-P189 HydrophobicContact CD2-CB 3.77Å; Y165-P189 HydrophobicContact CD2-CG 4.33Å; Y165-P189 VanDerWaalsContact CD2-O 3.32Å; Y165-P189 WeakPolarHBondContact CD2-O 3.44Å; Y165-P189 HydrophobicContact CE2-CB 3.87Å; R170-P189 HydrophobicContact CG-CG 4.41Å; I173-P189 HydrophobicContact CG2-CB 4.08Å; I173-P189 HydrophobicContact CG2-CG 4.23Å
190A83.9Confident65.4Low43 Ų43106 Ų10636%0.35559%0.585SS.*EExtended strand (participates in β ladder)trans-124.7138.6177.200000110.6Y162 E188Y162-A190 HydrophobicContact CD1-CB 4.35Å; E188-A190 PolarHBondContact O-N 3.11Å
191L83.1Confident64.9Low59 Ų59107.5 Ų107.531%0.30959%0.586SS.*EExtended strand (participates in β ladder)trans-82.7121.1174.1-79.4161000109.1Y162 V163 Y165 L193Y162-L191 WeakPolarHBondContact CA-O 3.46Å; V163-L191 PolarHBondContact N-O 3.37Å; V163-L191 PolarHBondContact O-N 2.86Å; Y165-L191 HydrophobicContact CD1-CD1 3.51Å; Y165-L191 HydrophobicContact CD1-CD2 3.92Å; Y165-L191 HydrophobicContact CD1-CG 3.54Å; Y165-L191 HydrophobicContact CD2-CD1 4.41Å; Y165-L191 HydrophobicContact CD2-CG 3.89Å; Y165-L191 HydrophobicContact CE1-CD1 3.76Å; Y165-L191 HydrophobicContact CE1-CD2 3.21Å; Y165-L191 HydrophobicContact CE1-CG 3.32Å; Y165-L191 HydrophobicContact CE2-CB 4.48Å; Y165-L191 HydrophobicContact CE2-CD2 4.12Å; Y165-L191 HydrophobicContact CE2-CG 3.68Å; Y165-L191 HydrophobicContact CG-CD1 3.89Å; Y165-L191 HydrophobicContact CG-CG 3.83Å; Y165-L191 WeakPolarHBondContact OH-CD2 3.49Å; L191-L193 PolarHBondContact O-N 3.36Å
192P83.6Confident64.9Low65 Ų65107.3 Ų107.342%0.42256%0.564SS.*EExtended strand (participates in β ladder)trans-64.2122.8166.125.6-30.3000108.9V160 Y162 Q194V160-P192 HydrophobicContact CG1-CB 3.95Å; Y162-P192 HydrophobicContact CD1-CB 3.97Å; Y162-P192 HydrophobicContact CE1-CB 3.63Å; Y162-P192 HydrophobicContact CE1-CG 4.4Å; P192-Q194 PolarHBondContact O-N 3.41Å
193L76.6Confident65.4Low103 Ų103110.5 Ų110.554%0.53956%0.56SS.*  trans-74.534.2169.8-67-175.7000112.1R161 V163 L191 R195R161-L193 HydrophobicContact CB-CD1 4.2Å; R161-L193 VanDerWaalsContact O-CB 3.22Å; R161-L193 WeakPolarHBondContact O-CB 3.33Å; R161-L193 PolarHBondContact O-N 3.49Å; V163-L193 HydrophobicContact CB-CD1 4.48Å; V163-L193 HydrophobicContact CB-CD2 4.18Å; V163-L193 HydrophobicContact CB-CG 4.19Å; V163-L193 HydrophobicContact CG2-CD1 3.35Å; V163-L193 HydrophobicContact CG2-CD2 3.86Å; V163-L193 HydrophobicContact CG2-CG 3.53Å; L191-L193 PolarHBondContact O-N 3.36Å; L193-R195 PolarHBondContact O-N 3.31Å
194Q71.8Confident66.1Low116 Ų116104.7 Ų104.754%0.54254%0.542SS..  trans-80108169.8-163.3169.5-1.800107V160 P192 N196V160-Q194 HydrophobicContact CG1-CB 4.01Å; V160-Q194 HydrophobicContact CG2-CB 4.43Å; V160-Q194 HydrophobicContact CG2-CG 4.43Å; P192-Q194 PolarHBondContact O-N 3.41Å; Q194-N196 PolarHBondContact O-N 3.21Å
195R60.6Low66.6Low229 Ų229102.2 Ų102.286%0.86452%0.518SS*.  trans-66.989.8166.9-77.5-176.6177.5169.8-0.2107.3L193 V197L193-R195 PolarHBondContact O-N 3.31Å; R195-V197 HydrophobicContact CB-CG2 4.03Å; R195-V197 PolarHBondContact O-N 3.16Å
196N58.4Low67.3Low120 Ų120104.6 Ų104.664%0.64252%0.521SS*.  trans-66.990.8159.5-68.4-21.5000105.5Q194 V198Q194-N196 PolarHBondContact O-N 3.21Å; N196-V198 PolarHBondContact O-N 3.3Å
197V55Low67.5Low95 Ų95102.5 Ų102.558%0.57650%0.502SS*.  trans-71.383-179.6-1760000107.4R195 F199R195-V197 HydrophobicContact CB-CG2 4.03Å; R195-V197 PolarHBondContact O-N 3.16Å; V197-F199 WeakPolarHBondContact CG1-O 3.42Å; V197-F199 PolarHBondContact O-N 3.5Å
198V54.2Low67.2Low118 Ų118101.7 Ų101.772%0.71550%0.498SS*.SBendtrans-68-30.3175.1-177.20000110.2N196N196-V198 PolarHBondContact O-N 3.3Å
199F49.9Very low66.7Low119 Ų11999.2 Ų99.252%0.52249%0.487SS..SBendtrans-111.995.6175.3-56.5-69.6000109.5V197 Y203 F204V197-F199 WeakPolarHBondContact CG1-O 3.42Å; V197-F199 PolarHBondContact O-N 3.5Å; F199-Y203 HydrophobicContact CB-CD1 4.33Å; F199-Y203 HydrophobicContact CD1-CD1 4.05Å; F199-Y203 HydrophobicContact CD1-CE1 4.11Å; F199-Y203 HydrophobicContact CD1-CG 4.31Å; F199-F204 HydrophobicContact CB-CE2 3.79Å; F199-F204 HydrophobicContact CB-CZ 4.14Å
200N61.3Low65.8Low84 Ų84104 Ų10445%0.44951%0.509SS..  trans-57.1148.7174.6-171.9-3.1000109.9E202 Y203N200-E202 HydrophobicContact CB-CB 4.46Å; N200-E202 PolarHBondContact O-N 2.86Å; N200-E202 PolarHBondContact OD1-N 3.16Å; N200-Y203 WeakPolarHBondContact O-CA 3.46Å; N200-Y203 WeakPolarHBondContact O-CB 3.31Å; N200-Y203 PolarHBondContact O-N 3.34Å
201V60.3Low64.7Low115 Ų115105.6 Ų105.670%0.69751%0.511SS*.Hα-helixtrans-50-32.9171.7175.70000111Y203 F204 R205V201-Y203 VanDerWaalsContact C-N 3.29Å; V201-Y203 PolarHBondContact O-N 3.3Å; V201-F204 PolarHBondContact O-N 2.97Å; V201-R205 WeakPolarHBondContact O-CB 3.34Å; V201-R205 PolarHBondContact O-N 3.07Å
202E56.8Low63.5Low73 Ų73111 Ų11134%0.34153%0.528SS..Hα-helixtrans-60.3-31173.2-67.9-165.8-175.900114.5K128 N200 K206K128-E202 IonicContact NZ-OE1 2.81Å; K128-E202 PolarHBondContact NZ-OE1 3.03Å; N200-E202 HydrophobicContact CB-CB 4.46Å; N200-E202 PolarHBondContact O-N 2.86Å; N200-E202 PolarHBondContact OD1-N 3.16Å; E202-K206 WeakPolarHBondContact O-CB 3.17Å; E202-K206 VanDerWaalsContact O-CG 3.29Å; E202-K206 WeakPolarHBondContact O-CG 3.29Å; E202-K206 PolarHBondContact O-N 3.28Å
203Y64.9Low62.3Low121 Ų121117.2 Ų117.248%0.47554%0.542SS..Hα-helixtrans-63.6-50.7175.8175.4-94.1000110.8F199 N200 V201 R205 K206 Q207F199-Y203 HydrophobicContact CB-CD1 4.33Å; F199-Y203 HydrophobicContact CD1-CD1 4.05Å; F199-Y203 HydrophobicContact CD1-CE1 4.11Å; F199-Y203 HydrophobicContact CD1-CG 4.31Å; N200-Y203 WeakPolarHBondContact O-CA 3.46Å; N200-Y203 WeakPolarHBondContact O-CB 3.31Å; N200-Y203 PolarHBondContact O-N 3.34Å; V201-Y203 VanDerWaalsContact C-N 3.29Å; V201-Y203 PolarHBondContact O-N 3.3Å; Y203-R205 PolarHBondContact O-N 3.43Å; Y203-K206 PolarHBondContact O-N 2.95Å; Y203-Q207 PolarHBondContact O-N 2.99Å
204F66.4Low61.1Low111 Ų111119.4 Ų119.449%0.48755%0.547SS..Hα-helixtrans-65.9-39.7178.5-67.4-71.8000111.9F199 V201 Q207 E208F199-F204 HydrophobicContact CB-CE2 3.79Å; F199-F204 HydrophobicContact CB-CZ 4.14Å; V201-F204 PolarHBondContact O-N 2.97Å; F204-Q207 WeakPolarHBondContact O-CB 3.43Å; F204-Q207 PolarHBondContact O-N 2.97Å; F204-E208 PolarHBondContact O-N 3.35Å
205R66.3Low59.9Low85 Ų85121.4 Ų121.432%0.32156%0.557SS.*Hα-helixtrans-64.8-41.8176.2-175.8-142.4171.8120.9-43112.4E131 V201 Y203 Q207 E208 E209E131-R205 VanDerWaalsContact CD-CZ 3.46Å; E131-R205 IonicContact OE1-CZ 3.62Å; E131-R205 IonicContact OE1-NH1 2.85Å; E131-R205 PolarHBondContact OE1-NH1 3.37Å; E131-R205 IonicContact OE1-NH2 3.5Å; E131-R205 PolarHBondContact OE1-NH2 3.4Å; E131-R205 IonicContact OE2-CZ 2.86Å; E131-R205 IonicContact OE2-NH1 3.43Å; E131-R205 PolarHBondContact OE2-NH1 2.92Å; E131-R205 IonicContact OE2-NH2 2.91Å; V201-R205 WeakPolarHBondContact O-CB 3.34Å; V201-R205 PolarHBondContact O-N 3.07Å; Y203-R205 PolarHBondContact O-N 3.43Å; R205-Q207 VanDerWaalsContact C-N 3.25Å; R205-Q207 PolarHBondContact O-N 2.89Å; R205-E208 PolarHBondContact O-N 3.47Å; R205-E209 IonicContact CZ-OE1 3.8Å; R205-E209 IonicContact NE-OE1 2.89Å; R205-E209 PolarHBondContact NE-OE1 2.86Å; R205-E209 IonicContact NH2-OE1 2.85Å; R205-E209 WeakPolarHBondContact O-CB 3.17Å; R205-E209 PolarHBondContact O-N 2.88Å
206K70.3Confident59.2Low131 Ų131113.6 Ų113.657%0.5755%0.547SS*.Hα-helixtrans-59.1-40.8172.6-80.7175.1-177.4172.30110.9E202 Y203 E209 E210E202-K206 WeakPolarHBondContact O-CB 3.17Å; E202-K206 VanDerWaalsContact O-CG 3.29Å; E202-K206 WeakPolarHBondContact O-CG 3.29Å; E202-K206 PolarHBondContact O-N 3.28Å; Y203-K206 PolarHBondContact O-N 2.95Å; K206-E209 PolarHBondContact O-N 3.19Å; K206-E210 WeakPolarHBondContact O-CB 3.47Å; K206-E210 WeakPolarHBondContact O-CG 3.35Å; K206-E210 PolarHBondContact O-N 3.12Å
207Q64.6Low58.8Low85 Ų85114.2 Ų114.240%0.39756%0.556SS.*Hα-helixtrans-65.7-40.7177.2-162179.9-17.700112.3Y203 F204 R205 E210 N211Y203-Q207 PolarHBondContact O-N 2.99Å; F204-Q207 WeakPolarHBondContact O-CB 3.43Å; F204-Q207 PolarHBondContact O-N 2.97Å; R205-Q207 VanDerWaalsContact C-N 3.25Å; R205-Q207 PolarHBondContact O-N 2.89Å; Q207-E210 PolarHBondContact O-N 3.32Å; Q207-N211 WeakPolarHBondContact O-CB 3.36Å; Q207-N211 PolarHBondContact O-N 2.86Å; Q207-N211 PolarHBondContact O-ND2 2.91Å
208E64.1Low58.4Low131 Ų131112.9 Ų112.961%0.61255%0.554SS**Hα-helixtrans-67.4-40.3173.6-78.1-172.6170.800113F204 R205 E210 N211 R212F204-E208 PolarHBondContact O-N 3.35Å; R205-E208 PolarHBondContact O-N 3.47Å; E208-E210 VanDerWaalsContact C-N 3.33Å; E208-N211 PolarHBondContact O-N 3.5Å; E208-R212 WeakPolarHBondContact O-CB 3.29Å; E208-R212 PolarHBondContact O-N 3.18Å
209E67.8Low57.7Low72 Ų72115.6 Ų115.634%0.33657%0.571SS.*Hα-helixtrans-62.7-40.8173.8-79.6-173.9-155.600111.4R205 K206 N211 R212 R213R205-E209 IonicContact CZ-OE1 3.8Å; R205-E209 IonicContact NE-OE1 2.89Å; R205-E209 PolarHBondContact NE-OE1 2.86Å; R205-E209 IonicContact NH2-OE1 2.85Å; R205-E209 WeakPolarHBondContact O-CB 3.17Å; R205-E209 PolarHBondContact O-N 2.88Å; K206-E209 PolarHBondContact O-N 3.19Å; E209-N211 VanDerWaalsContact C-N 3.31Å; E209-R212 PolarHBondContact O-N 3.3Å; E209-R213 WeakPolarHBondContact O-CB 3.35Å; E209-R213 WeakPolarHBondContact O-CG 3.45Å; E209-R213 PolarHBondContact O-N 2.91Å; E209-R213 IonicContact OE2-NH2 3.61Å
210E62.3Low58.1Low110 Ų110115.4 Ų115.451%0.51457%0.573SS.*Hα-helixtrans-62.7-38.1172.4-79.9-171.9172.400112.4K206 Q207 E208 K214K206-E210 WeakPolarHBondContact O-CB 3.47Å; K206-E210 WeakPolarHBondContact O-CG 3.35Å; K206-E210 PolarHBondContact O-N 3.12Å; Q207-E210 PolarHBondContact O-N 3.32Å; E208-E210 VanDerWaalsContact C-N 3.33Å; E210-K214 VanDerWaalsContact O-CG 3.3Å; E210-K214 WeakPolarHBondContact O-CG 3.43Å; E210-K214 PolarHBondContact O-N 2.95Å
211N61.2Low57.9Low75 Ų75117.1 Ų117.140%0.40158%0.58SS.*Hα-helixtrans-70.9-42.1177.2-71.3-16.1000111.9Q207 E208 E209 R213 K214 E215Q207-N211 WeakPolarHBondContact O-CB 3.36Å; Q207-N211 PolarHBondContact O-N 2.86Å; Q207-N211 PolarHBondContact O-ND2 2.91Å; E208-N211 PolarHBondContact O-N 3.5Å; E209-N211 VanDerWaalsContact C-N 3.31Å; N211-R213 VanDerWaalsContact C-N 3.31Å; N211-R213 PolarHBondContact O-N 2.81Å; N211-K214 WeakPolarHBondContact O-CA 3.5Å; N211-K214 WeakPolarHBondContact O-CB 3.48Å; N211-K214 PolarHBondContact O-N 3.23Å; N211-E215 PolarHBondContact O-N 3.44Å; N211-E215 VanDerWaalsContact O-N 3.14Å
212R58.1Low57.8Low174 Ų174117.2 Ų117.266%0.65757%0.573SS**Hα-helixtrans-66.2-29.5174.1-78.9-178.566.6-168.95.2113.5E208 E209 K214 E215E208-R212 WeakPolarHBondContact O-CB 3.29Å; E208-R212 PolarHBondContact O-N 3.18Å; E209-R212 PolarHBondContact O-N 3.3Å; R212-K214 PolarHBondContact O-N 3.47Å; R212-E215 PolarHBondContact O-N 3.5Å
213R57.1Low57.9Low194 Ų194119.8 Ų119.873%0.73259%0.587SS**Hα-helixtrans-68-23.7170.6-74171.8-165.4-168.98.3112.1E209 N211E209-R213 WeakPolarHBondContact O-CB 3.35Å; E209-R213 WeakPolarHBondContact O-CG 3.45Å; E209-R213 PolarHBondContact O-N 2.91Å; E209-R213 IonicContact OE2-NH2 3.61Å; N211-R213 VanDerWaalsContact C-N 3.31Å; N211-R213 PolarHBondContact O-N 2.81Å
214K51.2Low57.4Low149 Ų149119.7 Ų119.765%0.64859%0.594SS**Hα-helixtrans-84.4-26.8176.3-66.2165.2-168.7165.40112.6E210 N211 R212 G216E210-K214 VanDerWaalsContact O-CG 3.3Å; E210-K214 WeakPolarHBondContact O-CG 3.43Å; E210-K214 PolarHBondContact O-N 2.95Å; N211-K214 WeakPolarHBondContact O-CA 3.5Å; N211-K214 WeakPolarHBondContact O-CB 3.48Å; N211-K214 PolarHBondContact O-N 3.23Å; R212-K214 PolarHBondContact O-N 3.47Å; K214-G216 PolarHBondContact O-N 3.34Å; K214-G216 VanDerWaalsContact O-N 3.12Å
215E47.3Very low56.8Low159 Ų159120.3 Ų120.374%0.74360%0.601SS**  trans-8186.5173.9-71.5-179.4173.900110.9N211 R212N211-E215 PolarHBondContact O-N 3.44Å; N211-E215 VanDerWaalsContact O-N 3.14Å; R212-E215 PolarHBondContact O-N 3.5Å
216G45.3Very low56.2Low64 Ų64122.8 Ų122.866%0.6662%0.621SS**  trans-81.6126.8167.700000111.1K214K214-G216 PolarHBondContact O-N 3.34Å; K214-G216 VanDerWaalsContact O-N 3.12Å
217T50.1Low55.1Low134 Ų134122.2 Ų122.282%0.82263%0.625SS**  154129.9128.3-51.20000108.5
218A46Very low54.3Low66 Ų66125.3 Ų125.355%0.54564%0.644SS.*  trans-78.9126.6165.900000108.1
219V40.8Very low53.4Low175 Ų175124.7 Ų124.7100%1.06165%0.647SS**  trans-94.40165.6-174.20000107.3T45T45-V219 CarbonylContact C-O 3.5Å

Retrieved 219 of 219 residues in 180.8 ms (Link to these results)

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