A0A087XAE5_POEFO Loading...

DNA-dependent metalloprotease SPRTN

AlphaFold DB , UniProt , Accession A0A087XAE5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 547 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
1M57.8Low86.1Confident198 Ų198106.9 Ų106.998%0.97558%0.577SS**  0119.70-72173.9172.800105.8
2D83Confident86.6Confident125 Ų125106.5 Ų106.567%0.66857%0.568SS**  trans-75.6148.6-172.5-56.3-85000111D4 F5 L6D2-D4 PolarHBondContact O-N 3.44Å; D2-F5 WeakPolarHBondContact O-CB 3.49Å; D2-F5 PolarHBondContact O-N 3.06Å; D2-L6 PolarHBondContact O-N 3.29Å
3A85.8Confident87Confident73 Ų73108.2 Ų108.260%0.60357%0.571SS**Hα-helixtrans-59.3-38-177.400000111.7F5 L6 L7A3-F5 VanDerWaalsContact C-N 3.25Å; A3-F5 PolarHBondContact O-N 2.93Å; A3-L6 PolarHBondContact O-N 3.18Å; A3-L7 PolarHBondContact O-N 3.31Å
4D80.8Confident87.3Confident132 Ų132106.9 Ų106.971%0.70656%0.56SS**Hα-helixtrans-61.7-31.4177.6-56.8-8.8000112.4D2 A8D2-D4 PolarHBondContact O-N 3.44Å; D4-A8 VanDerWaalsContact O-CB 3.32Å; D4-A8 WeakPolarHBondContact O-CB 3.46Å; D4-A8 PolarHBondContact O-N 3.09Å
5F87.6Confident87.5Confident116 Ų116108.4 Ų108.451%0.50956%0.561SS.*Hα-helixtrans-73.8-37.9176.7-178.2-104000111.9D2 A3 A8 I9D2-F5 WeakPolarHBondContact O-CB 3.49Å; D2-F5 PolarHBondContact O-N 3.06Å; A3-F5 VanDerWaalsContact C-N 3.25Å; A3-F5 PolarHBondContact O-N 2.93Å; F5-A8 PolarHBondContact O-N 3.35Å; F5-I9 HydrophobicContact CD1-CD1 4.08Å; F5-I9 HydrophobicContact CE1-CD1 3.52Å; F5-I9 HydrophobicContact CE2-CD1 4.49Å; F5-I9 HydrophobicContact CZ-CD1 3.76Å; F5-I9 WeakPolarHBondContact O-CG1 3.43Å; F5-I9 PolarHBondContact O-N 3Å; F5-I9 VanDerWaalsContact O-N 3.09Å
6L92.8Very high87.4Confident100 Ų100106.5 Ų106.552%0.52455%0.552SS.*Hα-helixtrans-67.5-40.5173-65.8174.3000111.3D2 A3 I9 Q10D2-L6 PolarHBondContact O-N 3.29Å; A3-L6 PolarHBondContact O-N 3.18Å; L6-I9 PolarHBondContact O-N 3.35Å; L6-Q10 PolarHBondContact O-N 2.91Å
7L91.8Very high87.4Confident92 Ų92105.3 Ų105.348%0.48255%0.55SS.*Hα-helixtrans-63.5-40.7174.2-178.360.1000111.8A3 Q10 L11A3-L7 PolarHBondContact O-N 3.31Å; L7-Q10 PolarHBondContact O-N 2.95Å; L7-L11 HydrophobicContact CD1-CD1 4.26Å; L7-L11 HydrophobicContact CD1-CG 4.31Å; L7-L11 HydrophobicContact CG-CD1 4.06Å; L7-L11 WeakPolarHBondContact O-CB 3.32Å; L7-L11 VanDerWaalsContact O-CG 3.28Å; L7-L11 WeakPolarHBondContact O-CG 3.28Å; L7-L11 PolarHBondContact O-N 2.93Å
8A90.1Very high87Confident55 Ų55106.6 Ų106.646%0.45555%0.553SS.*Hα-helixtrans-62.5-41.2175.500000112.6D4 F5 L11 Q12D4-A8 VanDerWaalsContact O-CB 3.32Å; D4-A8 WeakPolarHBondContact O-CB 3.46Å; D4-A8 PolarHBondContact O-N 3.09Å; F5-A8 PolarHBondContact O-N 3.35Å; A8-L11 PolarHBondContact O-N 3.03Å; A8-Q12 PolarHBondContact O-N 3.39Å
9I94.5Very high86.9Confident77 Ų77107.8 Ų107.840%0.39555%0.551SS.*Hα-helixtrans-64.5-45.9174.7-71.8174.8000111F5 L6 L11 Q12 E13F5-I9 HydrophobicContact CD1-CD1 4.08Å; F5-I9 HydrophobicContact CE1-CD1 3.52Å; F5-I9 HydrophobicContact CE2-CD1 4.49Å; F5-I9 HydrophobicContact CZ-CD1 3.76Å; F5-I9 WeakPolarHBondContact O-CG1 3.43Å; F5-I9 PolarHBondContact O-N 3Å; F5-I9 VanDerWaalsContact O-N 3.09Å; L6-I9 PolarHBondContact O-N 3.35Å; I9-L11 VanDerWaalsContact C-N 3.32Å; I9-L11 PolarHBondContact O-N 3.42Å; I9-Q12 WeakPolarHBondContact O-CB 3.45Å; I9-Q12 PolarHBondContact O-N 3.48Å; I9-Q12 VanDerWaalsContact O-N 3.13Å; I9-E13 PolarHBondContact O-N 3.36Å
10Q91.9Very high86.4Confident108 Ų108109.2 Ų109.251%0.50556%0.555SS.*Hα-helixtrans-61.3-40.1178.4-173.8-175.5-33.100112L6 L7 Q12 E13 Q14L6-Q10 PolarHBondContact O-N 2.91Å; L7-Q10 PolarHBondContact O-N 2.95Å; Q10-Q12 VanDerWaalsContact C-N 3.33Å; Q10-E13 PolarHBondContact O-N 3.02Å; Q10-Q14 WeakPolarHBondContact O-CG 3.46Å; Q10-Q14 PolarHBondContact O-N 3.13Å
11L91.6Very high85.8Confident100 Ų100108.3 Ų108.352%0.52456%0.555SS.*Hα-helixtrans-67-33.7175.9-71.2170.2000112.3L7 A8 I9 F15L7-L11 HydrophobicContact CD1-CD1 4.26Å; L7-L11 HydrophobicContact CD1-CG 4.31Å; L7-L11 HydrophobicContact CG-CD1 4.06Å; L7-L11 WeakPolarHBondContact O-CB 3.32Å; L7-L11 VanDerWaalsContact O-CG 3.28Å; L7-L11 WeakPolarHBondContact O-CG 3.28Å; L7-L11 PolarHBondContact O-N 2.93Å; A8-L11 PolarHBondContact O-N 3.03Å; I9-L11 VanDerWaalsContact C-N 3.32Å; I9-L11 PolarHBondContact O-N 3.42Å; L11-F15 WeakPolarHBondContact O-CB 3.44Å; L11-F15 PolarHBondContact O-N 3.04Å
12Q91.4Very high86.3Confident102 Ų102103.3 Ų103.348%0.47754%0.54SS..Hα-helixtrans-67.5-46.3172.9-170.86658.900111.5A8 I9 Q10 Q14 F15 D16A8-Q12 PolarHBondContact O-N 3.39Å; I9-Q12 WeakPolarHBondContact O-CB 3.45Å; I9-Q12 PolarHBondContact O-N 3.48Å; I9-Q12 VanDerWaalsContact O-N 3.13Å; Q10-Q12 VanDerWaalsContact C-N 3.33Å; Q12-Q14 VanDerWaalsContact C-N 3.28Å; Q12-Q14 PolarHBondContact O-N 3.27Å; Q12-F15 PolarHBondContact O-N 2.68Å; Q12-D16 PolarHBondContact NE2-OD1 3.45Å; Q12-D16 WeakPolarHBondContact O-CB 3.46Å; Q12-D16 VanDerWaalsContact O-CG 3.24Å; Q12-D16 PolarHBondContact O-N 3.22Å
13E92.1Very high85.3Confident129 Ų129102.6 Ų102.660%0.60353%0.532SS*.Hα-helixtrans-59.9-37.8176.1-73.2-172.1138.200112.3I9 Q10 T17I9-E13 PolarHBondContact O-N 3.36Å; Q10-E13 PolarHBondContact O-N 3.02Å; E13-T17 VanDerWaalsContact O-CB 3.28Å; E13-T17 WeakPolarHBondContact O-CB 3.47Å; E13-T17 PolarHBondContact O-N 3.18Å; E13-T17 PolarHBondContact O-OG1 2.95Å
14Q90.6Very high83.7Confident90 Ų90105 Ų10542%0.42153%0.534SS..Hα-helixtrans-65.1-47.3173.5-74.9-171.6-11800112.1Q10 Q12 D16 T17 E18Q10-Q14 WeakPolarHBondContact O-CG 3.46Å; Q10-Q14 PolarHBondContact O-N 3.13Å; Q12-Q14 VanDerWaalsContact C-N 3.28Å; Q12-Q14 PolarHBondContact O-N 3.27Å; Q14-D16 PolarHBondContact O-N 3.49Å; Q14-T17 PolarHBondContact O-N 3.34Å; Q14-E18 WeakPolarHBondContact O-CG 3.28Å; Q14-E18 PolarHBondContact O-N 2.97Å
15F91.5Very high82.2Confident129 Ų129103.1 Ų103.157%0.56653%0.529SS*.Hα-helixtrans-60.4-45.6177.7-177.2-92.8000111.9L11 Q12 T17 E18 Y19L11-F15 WeakPolarHBondContact O-CB 3.44Å; L11-F15 PolarHBondContact O-N 3.04Å; Q12-F15 PolarHBondContact O-N 2.68Å; F15-T17 VanDerWaalsContact C-N 3.32Å; F15-T17 PolarHBondContact O-N 3.44Å; F15-E18 PolarHBondContact O-N 2.88Å; F15-Y19 VanDerWaalsContact O-CB 3.3Å; F15-Y19 WeakPolarHBondContact O-CB 3.39Å; F15-Y19 PolarHBondContact O-N 3.32Å
16D85.6Confident80.2Confident78 Ų78104.4 Ų104.442%0.41755%0.548SS..Hα-helixtrans-65.3-37.1178.7-65.7-13000111Q12 Q14 Y19 Q20Q12-D16 PolarHBondContact NE2-OD1 3.45Å; Q12-D16 WeakPolarHBondContact O-CB 3.46Å; Q12-D16 VanDerWaalsContact O-CG 3.24Å; Q12-D16 PolarHBondContact O-N 3.22Å; Q14-D16 PolarHBondContact O-N 3.49Å; D16-Y19 PolarHBondContact O-N 2.8Å; D16-Q20 VanDerWaalsContact O-CB 3.29Å; D16-Q20 WeakPolarHBondContact O-CB 3.29Å; D16-Q20 PolarHBondContact O-N 2.85Å
17T86.6Confident77.9Confident86 Ų86106.5 Ų106.553%0.52856%0.56SS.*Hα-helixtrans-64.9-44.9174.5-59.90000111.9E13 Q14 F15 Q20 T21E13-T17 VanDerWaalsContact O-CB 3.28Å; E13-T17 WeakPolarHBondContact O-CB 3.47Å; E13-T17 PolarHBondContact O-N 3.18Å; E13-T17 PolarHBondContact O-OG1 2.95Å; Q14-T17 PolarHBondContact O-N 3.34Å; F15-T17 VanDerWaalsContact C-N 3.32Å; F15-T17 PolarHBondContact O-N 3.44Å; T17-Q20 PolarHBondContact O-N 2.84Å; T17-T21 WeakPolarHBondContact O-CB 3.36Å; T17-T21 PolarHBondContact O-N 3.44Å; T17-T21 PolarHBondContact O-OG1 3.08Å
18E81.6Confident75.3Confident129 Ų129107.6 Ų107.660%0.60357%0.574SS**Hα-helixtrans-65.7-38.2176.4-71.6176.8-163.200111.8Q14 F15 T21 S22Q14-E18 WeakPolarHBondContact O-CG 3.28Å; Q14-E18 PolarHBondContact O-N 2.97Å; F15-E18 PolarHBondContact O-N 2.88Å; E18-T21 PolarHBondContact O-N 2.74Å; E18-S22 WeakPolarHBondContact O-CB 3.3Å; E18-S22 PolarHBondContact O-N 2.98Å; E18-S22 PolarHBondContact O-OG 3.44Å
19Y84.9Confident72.5Confident130 Ų130115.3 Ų115.351%0.5160%0.598SS.*Hα-helixtrans-70.1-35.4176-173.6-117.3000113.3F15 D16 S22 Q23F15-Y19 VanDerWaalsContact O-CB 3.3Å; F15-Y19 WeakPolarHBondContact O-CB 3.39Å; F15-Y19 PolarHBondContact O-N 3.32Å; D16-Y19 PolarHBondContact O-N 2.8Å; Y19-S22 WeakPolarHBondContact CA-OG 3.47Å; Y19-S22 PolarHBondContact O-OG 3.49Å; Y19-Q23 WeakPolarHBondContact O-CG 2.85Å; Y19-Q23 PolarHBondContact O-N 2.71Å; Y19-Q23 PolarHBondContact O-NE2 3.48Å; Y19-Q23 VanDerWaalsContact O-NE2 3.08Å
20Q76.1Confident69.8Low134 Ų134119.3 Ų119.363%0.62662%0.619SS**Hα-helixtrans-69.5-41.7172.8-160.174.214.500111D16 T17 Q23D16-Q20 VanDerWaalsContact O-CB 3.29Å; D16-Q20 WeakPolarHBondContact O-CB 3.29Å; D16-Q20 PolarHBondContact O-N 2.85Å; T17-Q20 PolarHBondContact O-N 2.84Å; Q20-Q23 PolarHBondContact O-N 2.95Å
21T73Confident67.2Low92 Ų92123.6 Ų123.656%0.56464%0.639SS**Hα-helixtrans-67.2-38.1-179.4-54.90000112.1T17 E18 Q23T17-T21 WeakPolarHBondContact O-CB 3.36Å; T17-T21 PolarHBondContact O-N 3.44Å; T17-T21 PolarHBondContact O-OG1 3.08Å; E18-T21 PolarHBondContact O-N 2.74Å; T21-Q23 VanDerWaalsContact C-N 3.29Å; T21-Q23 PolarHBondContact O-N 3.38Å
22S68.6Low64.6Low93 Ų93126.9 Ų126.965%0.6566%0.657SS**THydrogen-bonded Turntrans-76.9-9.3179.351.20000114.7E18 Y19E18-S22 WeakPolarHBondContact O-CB 3.3Å; E18-S22 PolarHBondContact O-N 2.98Å; E18-S22 PolarHBondContact O-OG 3.44Å; Y19-S22 WeakPolarHBondContact CA-OG 3.47Å; Y19-S22 PolarHBondContact O-OG 3.49Å
23Q62.6Low61.9Low109 Ų109125 Ų12551%0.50967%0.666SS.*THydrogen-bonded Turntrans-91.3-3.6174.5-81.4-18094.400114.7Y19 Q20 T21 P25Y19-Q23 WeakPolarHBondContact O-CG 2.85Å; Y19-Q23 PolarHBondContact O-N 2.71Å; Y19-Q23 PolarHBondContact O-NE2 3.48Å; Y19-Q23 VanDerWaalsContact O-NE2 3.08Å; Q20-Q23 PolarHBondContact O-N 2.95Å; T21-Q23 VanDerWaalsContact C-N 3.29Å; T21-Q23 PolarHBondContact O-N 3.38Å; Q23-P25 VanDerWaalsContact O-CD 3.28Å; Q23-P25 WeakPolarHBondContact O-CD 3.47Å
24I51.4Low58.9Low124 Ų124128.6 Ų128.664%0.63668%0.68SS**  trans-83114.7178.6-57.4176.2000109.7
25P50.7Low56Low93 Ų93126.7 Ų126.760%0.60468%0.684SS**  trans-71143.3175.1-14.331000110.5Q23 D27Q23-P25 VanDerWaalsContact O-CD 3.28Å; Q23-P25 WeakPolarHBondContact O-CD 3.47Å; P25-D27 PolarHBondContact O-N 3.2Å
26P45.1Very low53.2Low142 Ų142128.8 Ų128.892%0.92270%0.695SS**SBendtrans-76.315.6-174.933.1-38.1000114.6
27D44.5Very low50.6Low145 Ų145129.4 Ų129.478%0.77571%0.706SS**  trans-147.960.6-168.3-149.6-2.6000112.5P25P25-D27 PolarHBondContact O-N 3.2Å
28C36.3Very low47.8Very low114 Ų114132.2 Ų132.277%0.7772%0.718SS**  trans-155.467.8167.9-102.90000112.3
29F32.7Very low45.7Very low217 Ų217136.2 Ų136.295%0.95273%0.733SS**  trans-109.6108.3152.9-97.3-90.3000108
30L36Very low43.3Very low161 Ų161139.9 Ų139.984%0.84375%0.752SS**  trans-72.1135169.9-69.2171.9000109.1D32L30-D32 PolarHBondContact O-N 3.28Å
31E37.8Very low41.1Very low198 Ų198142.3 Ų142.393%0.92576%0.763SS**  trans-68.3125.9156.7-79.4-164.4102.900108.7
32D37.7Very low39.2Very low169 Ų169145.6 Ų145.690%0.90477%0.77SS**  trans-130.7119.4157-135.8-30.3000107.5L30L30-D32 PolarHBondContact O-N 3.28Å
33G33.9Very low37.5Very low64 Ų64147.3 Ų147.366%0.6678%0.776SS**  trans-114.6107.9-155.600000115
34F30.4Very low35.8Very low203 Ų203149 Ų14989%0.8978%0.784SS**  trans-160.5139.9164.1-110.8-89.3000108
35G29.5Very low34.8Very low50 Ų50147.8 Ų147.852%0.51579%0.786SS.*  cis161.6154.7-4.200000109.5
36H32Very low33.9Very low173 Ų173152.3 Ų152.380%0.80180%0.799SS**  trans72.2155.3-179.3-4296.5000115.7
37S30.9Very low33.1Very low92 Ų92149.4 Ų149.464%0.64380%0.795SS**  cis-164.9144.3-23.9-104.60000111.4
38N28.6Very low32.5Very low144 Ų144146.9 Ų146.977%0.7780%0.803SS**  trans24.4117.1149.3-67.6-70.7000120.4
39K36.7Very low32.2Very low213 Ų213145 Ų14593%0.92680%0.803SS**  -160.5157.7116.4-108.3154.2-171.5173.10113.3
40K35.1Very low32.7Very low207 Ų207141.2 Ų141.290%0.980%0.803SS**  trans-96143.8-174.7-55.9168.6-178.4175.10110
41Q30.3Very low32.6Very low186 Ų186136.5 Ų136.587%0.86979%0.794SS**  trans-139.2132.2148.9-167.5162-7.300109.9
42K32.1Very low32.9Very low161 Ų161131.7 Ų131.770%0.779%0.788SS**  trans-111.3127178.9168.5-178170.91690108.3E44K42-E44 WeakPolarHBondContact CE-OE2 3.28Å; K42-E44 IonicContact NZ-OE2 2.83Å; K42-E44 PolarHBondContact NZ-OE2 2.64Å
43V32.7Very low33Very low128 Ų128129.9 Ų129.978%0.77678%0.783SS**  trans-139125.5159.4178.30000107.6
44E28.1Very low33.5Very low144 Ų144132.4 Ų132.467%0.67379%0.786SS**  trans-102.4143.1162.6-68.7170.172.700107.6K42K42-E44 WeakPolarHBondContact CE-OE2 3.28Å; K42-E44 IonicContact NZ-OE2 2.83Å; K42-E44 PolarHBondContact NZ-OE2 2.64Å
45S29.6Very low33.9Very low99 Ų99132.8 Ų132.869%0.69278%0.781SS**  167.4123.8120.1-166.40000112.5
46H31Very low34.3Very low189 Ų189141.7 Ų141.788%0.87580%0.799SS**  trans39.2120.8145.4-5974.9000121
47G28.5Very low34.6Very low81 Ų81141.8 Ų141.884%0.83580%0.797SS**  trans177.685.2165.700000113
48G31.8Very low35.4Very low92 Ų92142.5 Ų142.595%0.94880%0.8SS**  trans-79126176.200000111.9
49G30.8Very low36.3Very low75 Ų75141.4 Ų141.477%0.77380%0.8SS**  trans-153.8114177.100000111.9G51G49-G51 PolarHBondContact O-N 3.34Å
50S42.6Very low36.7Very low136 Ų136136.7 Ų136.795%0.95179%0.79SS**  trans-78.2102.8178.3-1700000110.3
51G35.2Very low37.5Very low62 Ų62131.4 Ų131.464%0.63979%0.785SS**  trans-120.594.2179.300000111.5G49 V53G49-G51 PolarHBondContact O-N 3.34Å; G51-V53 VanDerWaalsContact C-N 3.27Å; G51-V53 PolarHBondContact O-N 2.98Å
52A44.4Very low38.2Very low97 Ų97128.9 Ų128.980%0.80277%0.773SS**  trans-7476.4178.600000111.5T54A52-T54 PolarHBondContact O-N 3.43Å
53V39.5Very low39Very low132 Ų132126.6 Ų126.680%0.878%0.775SS**  trans-66.5101.6172.9-179.60000108.9G51 R55G51-V53 VanDerWaalsContact C-N 3.27Å; G51-V53 PolarHBondContact O-N 2.98Å; V53-R55 PolarHBondContact O-N 3.04Å
54T43Very low40.2Very low117 Ų117128.8 Ų128.872%0.71878%0.777SS**  trans-65.884.4167.7280000109.3A52 W56A52-T54 PolarHBondContact O-N 3.43Å; T54-W56 PolarHBondContact O-N 3.48Å
55R39.4Very low41.8Very low211 Ų211132.5 Ų132.580%0.79678%0.784SS**  trans-58.2100.8167.7178.2-177-72.6-139.6-0.5107.8V53 K57V53-R55 PolarHBondContact O-N 3.04Å; R55-K57 VanDerWaalsContact C-N 3.31Å; R55-K57 PolarHBondContact O-N 2.99Å
56W38.7Very low43.7Very low237 Ų237134.1 Ų134.190%0.89879%0.792SS**  trans-57.598.9162.4-75.181.7000107.5T54 P58T54-W56 PolarHBondContact O-N 3.48Å; W56-P58 WeakPolarHBondContact O-CD 3.44Å
57K38.3Very low45.6Very low175 Ų175129.2 Ų129.276%0.76177%0.772SS**PPolyproline II helixtrans-65.5123.8160.5-70.5-175.7176.9-177.10105.4R55R55-K57 VanDerWaalsContact C-N 3.31Å; R55-K57 PolarHBondContact O-N 2.99Å
58P47.8Very low48.3Very low106 Ų106127 Ų12769%0.68874%0.744SS**PPolyproline II helixtrans-55.9146.8160.927.3-33.4000107.4W56 T60W56-P58 WeakPolarHBondContact O-CD 3.44Å; P58-T60 PolarHBondContact O-N 3.21Å; P58-T60 VanDerWaalsContact O-N 3.13Å
59P46.1Very low50.8Low121 Ų121123.6 Ų123.679%0.78670%0.704SS**PPolyproline II helixtrans-50.7126.7166.4-22.733.4000107.6A61P59-A61 PolarHBondContact O-N 2.86Å
60T45.2Very low53.3Low114 Ų114121.4 Ų121.470%0.69968%0.676SS**  trans-65.996.5169.848.90000106.3P58 Q62P58-T60 PolarHBondContact O-N 3.21Å; P58-T60 VanDerWaalsContact O-N 3.13Å; T60-Q62 PolarHBondContact O-N 2.87Å
61A51.6Low55.2Low97 Ų97117.7 Ų117.780%0.80265%0.645SS**  trans-57.698.9163.300000105.8P59P59-A61 PolarHBondContact O-N 2.86Å
62Q44.9Very low57.6Low132 Ų132122.7 Ų122.762%0.61765%0.652SS**  trans-57.6140.1162.7-61.3-64.6-39.500105.5T60 E64T60-Q62 PolarHBondContact O-N 2.87Å; Q62-E64 PolarHBondContact O-N 2.81Å
63P49.6Very low59.4Low114 Ų114119.9 Ų119.974%0.7463%0.626SS**  trans-57.3111.4164.725.3-31.5000106.4R65P63-R65 PolarHBondContact O-N 2.86Å; P63-R65 VanDerWaalsContact O-N 3.16Å
64E58.5Low61.5Low174 Ų174117.2 Ų117.281%0.81360%0.602SS**PPolyproline II helixtrans-52.1126179.2-80.2-60.9155.900107.6Q62Q62-E64 PolarHBondContact O-N 2.81Å
65R61.2Low63.3Low222 Ų222114 Ų11484%0.83858%0.578SS**PPolyproline II helixtrans-62.1136.7-177.8-76.8-174.8176138.80.8107.6P63 L67P63-R65 PolarHBondContact O-N 2.86Å; P63-R65 VanDerWaalsContact O-N 3.16Å; R65-L67 PolarHBondContact O-N 2.82Å
66P70.3Confident65.3Low132 Ų132111.7 Ų111.786%0.85758%0.579SS**PPolyproline II helixtrans-47.8122.4173.9-28.635.2000109.8
67L71.2Confident67.2Low86 Ų86106 Ų10645%0.4557%0.565SS.*PPolyproline II helixtrans-54.8143.2-175.9-67169.9000109.5R65 D71 L77R65-L67 PolarHBondContact O-N 2.82Å; L67-D71 HydrophobicContact CB-CB 4.23Å; L67-L77 HydrophobicContact CD1-CD1 4.37Å
68S83.6Confident69.1Low36 Ų36100.1 Ų100.125%0.25254%0.542SS..PPolyproline II helixtrans-57.6146.3173.4174.50000109.8V70 D71 W74 S183S68-V70 PolarHBondContact O-N 2.77Å; S68-V70 PolarHBondContact OG-N 3.45Å; S68-D71 VanDerWaalsContact O-CB 3.23Å; S68-D71 WeakPolarHBondContact O-CB 3.49Å; S68-D71 PolarHBondContact O-N 3.31Å; S68-W74 PolarHBondContact O-NE1 3.29Å; S68-S183 PolarHBondContact OG-O 3.13Å
69I85.6Confident70.3Confident19 Ų1999.5 Ų99.510%0.09754%0.538CS..THydrogen-bonded Turntrans-63.1-13.2176.8-147.4167.3000113F90 M93 F94 V144 T185I69-F90 HydrophobicContact CD1-CD1 3.48Å; I69-F90 VanDerWaalsContact CD1-CD1 3.48Å; I69-F90 HydrophobicContact CD1-CE1 3.23Å; I69-F90 HydrophobicContact CD1-CG 4.32Å; I69-F90 HydrophobicContact CD1-CZ 3.84Å; I69-F90 HydrophobicContact CG1-CD1 4.44Å; I69-F90 HydrophobicContact CG1-CE1 3.72Å; I69-F90 HydrophobicContact CG1-CZ 4.05Å; I69-M93 HydrophobicContact CD1-CE 4.48Å; I69-M93 HydrophobicContact CD1-SD 4.3Å; I69-F94 HydrophobicContact CD1-CE2 3.65Å; I69-F94 HydrophobicContact CD1-CZ 3.99Å; I69-V144 HydrophobicContact CG2-CG1 4.17Å; I69-T185 HydrophobicContact CG2-CG2 3.8Å
70V81.8Confident71.7Confident30 Ų3099 Ų9918%0.18253%0.529CS..THydrogen-bonded Turntrans-125.427.8172.3-67.90000112S68 K141 V144 T185S68-V70 PolarHBondContact O-N 2.77Å; S68-V70 PolarHBondContact OG-N 3.45Å; V70-K141 HydrophobicContact CB-CB 4.12Å; V70-K141 HydrophobicContact CG1-CB 4.01Å; V70-V144 HydrophobicContact CG1-CB 4.02Å; V70-V144 HydrophobicContact CG1-CG1 3.66Å; V70-T185 HydrophobicContact CG1-CG2 3.73Å; V70-T185 HydrophobicContact CG2-CG2 4.09Å
71D84.3Confident73.5Confident58 Ų5893.8 Ų93.831%0.3150%0.497SS..  trans-63.3141.7172.1-162.2-82.1000111.3L67 S68 S73 W74L67-D71 HydrophobicContact CB-CB 4.23Å; S68-D71 VanDerWaalsContact O-CB 3.23Å; S68-D71 WeakPolarHBondContact O-CB 3.49Å; S68-D71 PolarHBondContact O-N 3.31Å; D71-S73 PolarHBondContact O-N 3.38Å; D71-S73 WeakPolarHBondContact OD1-CB 3.32Å; D71-S73 PolarHBondContact OD1-N 2.64Å; D71-S73 PolarHBondContact OD1-OG 2.88Å; D71-W74 WeakPolarHBondContact O-CB 3.31Å; D71-W74 PolarHBondContact O-N 2.62Å; D71-W74 VanDerWaalsContact O-N 3.1Å
72E84.4Confident75.4Confident166 Ų16693.4 Ų93.478%0.77648%0.482SS*.THydrogen-bonded Turntrans-67-22.7-176.3-168.8159.7-145.400112.3W74 E75E72-W74 VanDerWaalsContact C-N 3.25Å; E72-W74 PolarHBondContact O-N 3.3Å; E72-E75 WeakPolarHBondContact O-CB 3.22Å; E72-E75 PolarHBondContact O-N 3.04Å
73S83.8Confident77.7Confident38 Ų3887.4 Ų87.427%0.26645%0.453SS..THydrogen-bonded Turntrans-60.5-31171.356.80000113.5D71 E75 M76 L77D71-S73 PolarHBondContact O-N 3.38Å; D71-S73 WeakPolarHBondContact OD1-CB 3.32Å; D71-S73 PolarHBondContact OD1-N 2.64Å; D71-S73 PolarHBondContact OD1-OG 2.88Å; S73-E75 PolarHBondContact O-N 3.02Å; S73-M76 PolarHBondContact O-N 3.14Å; S73-L77 WeakPolarHBondContact O-CG 3.42Å; S73-L77 PolarHBondContact O-N 3.32Å
74W81.6Confident79.8Confident77 Ų7786.4 Ų86.429%0.29244%0.435SS..Hα-helixtrans-67-24.7179.2-70.3112.2000113.7S68 D71 E72 M76 L77 D78S68-W74 PolarHBondContact O-NE1 3.29Å; D71-W74 WeakPolarHBondContact O-CB 3.31Å; D71-W74 PolarHBondContact O-N 2.62Å; D71-W74 VanDerWaalsContact O-N 3.1Å; E72-W74 VanDerWaalsContact C-N 3.25Å; E72-W74 PolarHBondContact O-N 3.3Å; W74-M76 PolarHBondContact O-N 3.38Å; W74-L77 HydrophobicContact CE3-CB 4.28Å; W74-L77 PolarHBondContact O-N 3.01Å; W74-D78 HydrophobicContact CE3-CB 4.24Å; W74-D78 CarbonylContact O-C 3.58Å; W74-D78 VanDerWaalsContact O-C 3.24Å; W74-D78 PolarHBondContact O-N 2.81Å; W74-D78 VanDerWaalsContact O-O 3.11Å
75E82.4Confident81.6Confident49 Ų4981.4 Ų81.423%0.22942%0.419CS..Hα-helixtrans-62.9-22174-54.8-69.8172.300111.8E72 S73 P139 R140 K141E72-E75 WeakPolarHBondContact O-CB 3.22Å; E72-E75 PolarHBondContact O-N 3.04Å; S73-E75 PolarHBondContact O-N 3.02Å; E75-P139 VanDerWaalsContact OE1-CB 3.23Å; E75-P139 WeakPolarHBondContact OE1-CB 3.34Å; E75-P139 WeakPolarHBondContact OE2-CA 3.37Å; E75-P139 WeakPolarHBondContact OE2-CB 3.45Å; E75-R140 PolarHBondContact OE1-N 3.39Å; E75-R140 PolarHBondContact OE2-N 3.45Å; E75-K141 PolarHBondContact OE1-N 3.34Å
76M81.1Confident83.1Confident163 Ų16371 Ų7180%0.80338%0.38SS*.Hα-helixtrans-103.5-35.1176.1-66-61.1-57.200113.4S73 W74S73-M76 PolarHBondContact O-N 3.14Å; W74-M76 PolarHBondContact O-N 3.38Å
77L78.4Confident84.4Confident117 Ų11764.8 Ų64.861%0.61334%0.34SS*.Hα-helixtrans-79.1-38.2-176.6-66.6171.5000113.2L67 S73 W74L67-L77 HydrophobicContact CD1-CD1 4.37Å; S73-L77 WeakPolarHBondContact O-CG 3.42Å; S73-L77 PolarHBondContact O-N 3.32Å; W74-L77 HydrophobicContact CE3-CB 4.28Å; W74-L77 PolarHBondContact O-N 3.01Å
78D77.6Confident85.6Confident51 Ų5164 Ų6427%0.27334%0.336SS..  trans-147.482.4178.1176.519.4000110.4W74 N80 P81 R140W74-D78 HydrophobicContact CE3-CB 4.24Å; W74-D78 CarbonylContact O-C 3.58Å; W74-D78 VanDerWaalsContact O-C 3.24Å; W74-D78 PolarHBondContact O-N 2.81Å; W74-D78 VanDerWaalsContact O-O 3.11Å; D78-N80 VanDerWaalsContact C-N 3.26Å; D78-N80 PolarHBondContact O-N 3.22Å; D78-N80 VanDerWaalsContact OD1-C 3.23Å; D78-N80 PolarHBondContact OD1-N 3.11Å; D78-P81 WeakPolarHBondContact OD1-CA 3.46Å; D78-P81 VanDerWaalsContact OD2-CA 3.3Å; D78-P81 WeakPolarHBondContact OD2-CA 3.38Å; D78-P81 VanDerWaalsContact OD2-CB 3.31Å; D78-P81 WeakPolarHBondContact OD2-CB 3.31Å; D78-R140 PolarHBondContact O-NH1 3.27Å; D78-R140 IonicContact OD1-NH1 2.71Å; D78-R140 IonicContact OD2-CZ 2.88Å; D78-R140 IonicContact OD2-NH1 2.69Å; D78-R140 PolarHBondContact OD2-NH1 3.05Å; D78-R140 IonicContact OD2-NH2 3.63Å
79P73.6Confident86.2Confident94 Ų9466.8 Ų66.861%0.6135%0.345SS*.SBendtrans-75.9-8.4-178.530.5-36.2000114
80N76Confident86.7Confident109 Ų10965.9 Ų65.958%0.58334%0.34SS*.SBendtrans-143.172.5178.6-174.1102.2000109.4D78D78-N80 VanDerWaalsContact C-N 3.26Å; D78-N80 PolarHBondContact O-N 3.22Å; D78-N80 VanDerWaalsContact OD1-C 3.23Å; D78-N80 PolarHBondContact OD1-N 3.11Å
81P82.8Confident87.4Confident5 Ų564.4 Ų64.43%0.03233%0.331CS..  trans-60.6149.6179.620.9-32.3000112.4D78 L83 M86 R140 L143D78-P81 WeakPolarHBondContact OD1-CA 3.46Å; D78-P81 VanDerWaalsContact OD2-CA 3.3Å; D78-P81 WeakPolarHBondContact OD2-CA 3.38Å; D78-P81 VanDerWaalsContact OD2-CB 3.31Å; D78-P81 WeakPolarHBondContact OD2-CB 3.31Å; P81-L83 PolarHBondContact O-N 3.42Å; P81-M86 HydrophobicContact CB-CE 3.69Å; P81-M86 HydrophobicContact CB-CG 3.97Å; P81-M86 HydrophobicContact CB-SD 3.54Å; P81-M86 VanDerWaalsContact CB-SD 3.54Å; P81-M86 HydrophobicContact CG-CE 3.52Å; P81-M86 HydrophobicContact CG-SD 3.55Å; P81-M86 VanDerWaalsContact CG-SD 3.55Å; P81-R140 HydrophobicContact CG-CG 4.29Å; P81-L143 HydrophobicContact CG-CD2 3.92Å
82D91.1Very high88Confident90 Ų9066.4 Ų66.448%0.48134%0.342SS..  trans-67.4123.3163.9173.146.3000110.7R84 S85 M86D82-R84 VanDerWaalsContact C-N 3.29Å; D82-R84 PolarHBondContact O-N 3.22Å; D82-R84 PolarHBondContact OD1-N 3.23Å; D82-R84 PolarHBondContact OD2-N 3.31Å; D82-S85 PolarHBondContact O-N 3.12Å; D82-S85 WeakPolarHBondContact OD2-CB 3.3Å; D82-S85 PolarHBondContact OD2-N 3.13Å; D82-S85 PolarHBondContact OD2-OG 2.84Å; D82-M86 PolarHBondContact O-N 3.11Å; D82-M86 VanDerWaalsContact O-N 3.16Å
83L92.8Very high88.5Confident5 Ų563.8 Ų63.83%0.02633%0.331CS..Hα-helixtrans-65.9-30.2-177.9177.358.6000112.3P81 M86 F87 V104 W106 L130 L147P81-L83 PolarHBondContact O-N 3.42Å; L83-M86 HydrophobicContact CD1-CE 4.35Å; L83-F87 WeakPolarHBondContact O-CB 3.4Å; L83-F87 PolarHBondContact O-N 3.08Å; L83-V104 HydrophobicContact CD1-CG2 3.94Å; L83-V104 HydrophobicContact CD2-CG2 4.04Å; L83-V104 HydrophobicContact CG-CG1 4.45Å; L83-V104 HydrophobicContact CG-CG2 3.83Å; L83-W106 HydrophobicContact CB-CZ2 4.41Å; L83-W106 HydrophobicContact CD2-CD2 3.77Å; L83-W106 HydrophobicContact CD2-CE3 4.41Å; L83-W106 HydrophobicContact CD2-CG 3.88Å; L83-W106 HydrophobicContact CD2-CZ2 4.29Å; L83-L130 HydrophobicContact CD1-CD1 3.62Å; L83-L130 HydrophobicContact CD1-CG 4.48Å; L83-L130 HydrophobicContact CD2-CB 4.48Å; L83-L130 HydrophobicContact CD2-CD1 4.37Å; L83-L147 HydrophobicContact CD1-CD1 4.13Å; L83-L147 HydrophobicContact CD1-CD2 3.92Å
84R94.8Very high89.1Confident93 Ų9362.6 Ų62.635%0.35132%0.321SS..Hα-helixtrans-78.6-40179.4-174.256.8177.1-176.2-1.5111.7D82 F87 L88 V102D82-R84 VanDerWaalsContact C-N 3.29Å; D82-R84 PolarHBondContact O-N 3.22Å; D82-R84 PolarHBondContact OD1-N 3.23Å; D82-R84 PolarHBondContact OD2-N 3.31Å; R84-F87 PolarHBondContact O-N 3.11Å; R84-L88 HydrophobicContact CG-CD1 4.27Å; R84-L88 WeakPolarHBondContact O-CG 3.41Å; R84-L88 PolarHBondContact O-N 3.34Å; R84-V102 PolarHBondContact NH1-O 2.81Å
85S94.8Very high89.8Confident69 Ų6958.9 Ų58.948%0.48331%0.307SS..Hα-helixtrans-59.3-53.3175.7-58.60000111.4D82 F87 L88 E89D82-S85 PolarHBondContact O-N 3.12Å; D82-S85 WeakPolarHBondContact OD2-CB 3.3Å; D82-S85 PolarHBondContact OD2-N 3.13Å; D82-S85 PolarHBondContact OD2-OG 2.84Å; S85-F87 VanDerWaalsContact C-N 3.3Å; S85-F87 PolarHBondContact O-N 3.02Å; S85-L88 PolarHBondContact O-N 3.35Å; S85-L88 VanDerWaalsContact O-N 3.14Å; S85-E89 PolarHBondContact O-N 3.39Å
86M94.4Very high90.4Very high5 Ų563.7 Ų63.73%0.02532%0.323CS..Hα-helixtrans-55.8-43.5173.9-74.9-169.3-60.100112.2P81 D82 L83 L88 E89 F90 L143 V144 L147P81-M86 HydrophobicContact CB-CE 3.69Å; P81-M86 HydrophobicContact CB-CG 3.97Å; P81-M86 HydrophobicContact CB-SD 3.54Å; P81-M86 VanDerWaalsContact CB-SD 3.54Å; P81-M86 HydrophobicContact CG-CE 3.52Å; P81-M86 HydrophobicContact CG-SD 3.55Å; P81-M86 VanDerWaalsContact CG-SD 3.55Å; D82-M86 PolarHBondContact O-N 3.11Å; D82-M86 VanDerWaalsContact O-N 3.16Å; L83-M86 HydrophobicContact CD1-CE 4.35Å; M86-L88 VanDerWaalsContact C-N 3.32Å; M86-L88 PolarHBondContact O-N 3.26Å; M86-E89 PolarHBondContact O-N 2.98Å; M86-F90 HydrophobicContact CB-CE1 3.95Å; M86-F90 HydrophobicContact CB-CE2 4.19Å; M86-F90 HydrophobicContact CB-CZ 3.79Å; M86-F90 HydrophobicContact CG-CE1 4.19Å; M86-F90 HydrophobicContact CG-CZ 3.96Å; M86-F90 VanDerWaalsContact O-CB 3.27Å; M86-F90 WeakPolarHBondContact O-CB 3.02Å; M86-F90 WeakPolarHBondContact O-CD1 3.27Å; M86-F90 WeakPolarHBondContact O-CG 3.36Å; M86-F90 PolarHBondContact O-N 2.96Å; M86-F90 HydrophobicContact SD-CZ 3.94Å; M86-L143 HydrophobicContact CE-CD2 3.95Å; M86-L143 HydrophobicContact CE-CG 4.05Å; M86-V144 HydrophobicContact SD-CG2 4.11Å; M86-L147 HydrophobicContact CB-CD2 3.97Å; M86-L147 HydrophobicContact CE-CD2 4.26Å
87F97.1Very high91.1Very high0 Ų056.7 Ų56.70%029%0.293CS..Hα-helixtrans-61.1-39.6179.5168.3-85000112.6L83 R84 S85 N91 L99 V102 V104 I128 L147 M151L83-F87 WeakPolarHBondContact O-CB 3.4Å; L83-F87 PolarHBondContact O-N 3.08Å; R84-F87 PolarHBondContact O-N 3.11Å; S85-F87 VanDerWaalsContact C-N 3.3Å; S85-F87 PolarHBondContact O-N 3.02Å; F87-N91 WeakPolarHBondContact O-CB 3.11Å; F87-N91 PolarHBondContact O-N 2.98Å; F87-L99 HydrophobicContact CE2-CB 4.29Å; F87-L99 HydrophobicContact CZ-CB 3.78Å; F87-L99 WeakPolarHBondContact CZ-O 3.32Å; F87-V102 HydrophobicContact CE2-CB 4.35Å; F87-V102 HydrophobicContact CE2-CG1 4.37Å; F87-V102 HydrophobicContact CZ-CB 3.94Å; F87-V102 HydrophobicContact CZ-CG1 4.43Å; F87-V104 HydrophobicContact CB-CB 4.35Å; F87-V104 HydrophobicContact CB-CG1 3.74Å; F87-V104 HydrophobicContact CD1-CG1 4.19Å; F87-V104 HydrophobicContact CD2-CB 3.98Å; F87-V104 HydrophobicContact CD2-CG1 4.18Å; F87-V104 HydrophobicContact CD2-CG2 4.33Å; F87-V104 HydrophobicContact CG-CB 4.08Å; F87-V104 HydrophobicContact CG-CG1 3.75Å; F87-I128 HydrophobicContact CD2-CD1 4.47Å; F87-I128 HydrophobicContact CE2-CD1 4.1Å; F87-L147 HydrophobicContact CD2-CD1 4.43Å; F87-M151 HydrophobicContact CD2-CE 3.69Å; F87-M151 HydrophobicContact CD2-CG 4.07Å; F87-M151 HydrophobicContact CD2-SD 3.84Å; F87-M151 HydrophobicContact CE2-CE 3.8Å; F87-M151 HydrophobicContact CE2-CG 4.12Å; F87-M151 HydrophobicContact CE2-SD 4.31Å; F87-M151 HydrophobicContact CG-CE 4.36Å; F87-M151 WeakPolarHBondContact O-CE 3.48Å
88L96.3Very high91.8Very high70 Ų7056.6 Ų56.637%0.36629%0.288SS..Hα-helixtrans-69-49.5178.5-68.7169.4000110.9R84 S85 M86 F90 N91 D92R84-L88 HydrophobicContact CG-CD1 4.27Å; R84-L88 WeakPolarHBondContact O-CG 3.41Å; R84-L88 PolarHBondContact O-N 3.34Å; S85-L88 PolarHBondContact O-N 3.35Å; S85-L88 VanDerWaalsContact O-N 3.14Å; M86-L88 VanDerWaalsContact C-N 3.32Å; M86-L88 PolarHBondContact O-N 3.26Å; L88-F90 VanDerWaalsContact C-N 3.35Å; L88-F90 PolarHBondContact O-N 3.46Å; L88-N91 WeakPolarHBondContact O-CB 3.03Å; L88-N91 PolarHBondContact O-N 2.69Å; L88-D92 PolarHBondContact O-N 3.42Å; L88-D92 VanDerWaalsContact O-N 3.11Å
89E95Very high92.6Very high94 Ų9454.1 Ų54.144%0.43928%0.275SS..Hα-helixtrans-51.7-52.3173.8178-172-16600111.4S85 M86 N91 D92 M93S85-E89 PolarHBondContact O-N 3.39Å; M86-E89 PolarHBondContact O-N 2.98Å; E89-N91 VanDerWaalsContact C-N 3.32Å; E89-N91 PolarHBondContact O-N 3.31Å; E89-D92 PolarHBondContact O-N 2.78Å; E89-M93 HydrophobicContact CG-CG 4.48Å; E89-M93 HydrophobicContact CG-SD 3.7Å; E89-M93 WeakPolarHBondContact O-CB 3.47Å; E89-M93 VanDerWaalsContact O-CG 3.29Å; E89-M93 WeakPolarHBondContact O-CG 3.27Å; E89-M93 PolarHBondContact O-N 2.9Å
90F96.9Very high93.4Very high0 Ų054.7 Ų54.70%027%0.272CS..Hα-helixtrans-68.4-34.3-176-63.18.9000111.2I69 M86 L88 D92 F94 F95 V144 L147 L148 M151I69-F90 HydrophobicContact CD1-CD1 3.48Å; I69-F90 VanDerWaalsContact CD1-CD1 3.48Å; I69-F90 HydrophobicContact CD1-CE1 3.23Å; I69-F90 HydrophobicContact CD1-CG 4.32Å; I69-F90 HydrophobicContact CD1-CZ 3.84Å; I69-F90 HydrophobicContact CG1-CD1 4.44Å; I69-F90 HydrophobicContact CG1-CE1 3.72Å; I69-F90 HydrophobicContact CG1-CZ 4.05Å; M86-F90 HydrophobicContact CB-CE1 3.95Å; M86-F90 HydrophobicContact CB-CE2 4.19Å; M86-F90 HydrophobicContact CB-CZ 3.79Å; M86-F90 HydrophobicContact CG-CE1 4.19Å; M86-F90 HydrophobicContact CG-CZ 3.96Å; M86-F90 VanDerWaalsContact O-CB 3.27Å; M86-F90 WeakPolarHBondContact O-CB 3.02Å; M86-F90 WeakPolarHBondContact O-CD1 3.27Å; M86-F90 WeakPolarHBondContact O-CG 3.36Å; M86-F90 PolarHBondContact O-N 2.96Å; M86-F90 HydrophobicContact SD-CZ 3.94Å; L88-F90 VanDerWaalsContact C-N 3.35Å; L88-F90 PolarHBondContact O-N 3.46Å; F90-D92 VanDerWaalsContact C-N 3.34Å; F90-F94 HydrophobicContact CB-CD2 4.07Å; F90-F94 HydrophobicContact CB-CE2 4.48Å; F90-F94 HydrophobicContact CG-CE2 4.48Å; F90-F94 WeakPolarHBondContact O-CB 3.38Å; F90-F94 WeakPolarHBondContact O-CD2 3.49Å; F90-F94 PolarHBondContact O-N 2.84Å; F90-F95 WeakPolarHBondContact O-CD2 3.42Å; F90-V144 HydrophobicContact CE2-CB 4.45Å; F90-V144 HydrophobicContact CE2-CG1 3.87Å; F90-V144 HydrophobicContact CE2-CG2 4.44Å; F90-V144 HydrophobicContact CZ-CG1 3.94Å; F90-V144 HydrophobicContact CZ-CG2 4.09Å; F90-L147 HydrophobicContact CD2-CD2 3.88Å; F90-L147 HydrophobicContact CD2-CG 4.21Å; F90-L147 HydrophobicContact CE2-CD2 3.75Å; F90-L147 HydrophobicContact CE2-CG 4.31Å; F90-L148 HydrophobicContact CB-CD2 3.96Å; F90-L148 HydrophobicContact CD2-CD1 4.37Å; F90-L148 HydrophobicContact CD2-CD2 3.47Å; F90-L148 VanDerWaalsContact CD2-CD2 3.47Å; F90-L148 HydrophobicContact CD2-CG 3.73Å; F90-L148 HydrophobicContact CE2-CD1 4.4Å; F90-L148 HydrophobicContact CE2-CD2 4.27Å; F90-L148 HydrophobicContact CE2-CG 4.07Å; F90-L148 HydrophobicContact CG-CD2 3.96Å; F90-M151 HydrophobicContact CB-CE 3.8Å; F90-M151 HydrophobicContact CB-SD 3.96Å; F90-M151 HydrophobicContact CD2-SD 4.25Å
91N97.1Very high94.1Very high0 Ų052.6 Ų52.60%028%0.277CS..Hα-helixtrans-61.8-41.9176.2164.165.7000111.6F87 L88 E89 F95 W96 G97 K98 L99 N100 M151F87-N91 WeakPolarHBondContact O-CB 3.11Å; F87-N91 PolarHBondContact O-N 2.98Å; L88-N91 WeakPolarHBondContact O-CB 3.03Å; L88-N91 PolarHBondContact O-N 2.69Å; E89-N91 VanDerWaalsContact C-N 3.32Å; E89-N91 PolarHBondContact O-N 3.31Å; N91-F95 CarbonylContact O-C 3.51Å; N91-F95 WeakPolarHBondContact O-CA 3.38Å; N91-F95 WeakPolarHBondContact O-CB 3.34Å; N91-F95 PolarHBondContact O-N 3.06Å; N91-W96 PolarHBondContact O-N 3.16Å; N91-G97 WeakPolarHBondContact ND2-CA 3.43Å; N91-G97 PolarHBondContact O-N 3.25Å; N91-G97 VanDerWaalsContact O-N 3.12Å; N91-G97 WeakPolarHBondContact OD1-CA 3.42Å; N91-K98 PolarHBondContact OD1-N 3.27Å; N91-L99 HydrophobicContact CB-CB 4.48Å; N91-L99 WeakPolarHBondContact OD1-CA 3.37Å; N91-L99 VanDerWaalsContact OD1-CB 3.23Å; N91-L99 WeakPolarHBondContact OD1-CB 3.26Å; N91-L99 PolarHBondContact OD1-N 3Å; N91-N100 PolarHBondContact ND2-OD1 2.71Å; N91-M151 HydrophobicContact CB-CE 3.94Å
92D96.1Very high94.6Very high100 Ų10052.6 Ų52.654%0.53528%0.276SS..Hα-helixtrans-76.6-46.9179.4-64.6-15.8000110.8L88 E89 F90 F94L88-D92 PolarHBondContact O-N 3.42Å; L88-D92 VanDerWaalsContact O-N 3.11Å; E89-D92 PolarHBondContact O-N 2.78Å; F90-D92 VanDerWaalsContact C-N 3.34Å; D92-F94 PolarHBondContact O-N 3.16Å
93M94.9Very high94.7Very high110 Ų11051.6 Ų51.654%0.54227%0.269SS..Hα-helixtrans-61.3-43178.3-70.3178.176.600114.1I69 E89I69-M93 HydrophobicContact CD1-CE 4.48Å; I69-M93 HydrophobicContact CD1-SD 4.3Å; E89-M93 HydrophobicContact CG-CG 4.48Å; E89-M93 HydrophobicContact CG-SD 3.7Å; E89-M93 WeakPolarHBondContact O-CB 3.47Å; E89-M93 VanDerWaalsContact O-CG 3.29Å; E89-M93 WeakPolarHBondContact O-CG 3.27Å; E89-M93 PolarHBondContact O-N 2.9Å
94F96.4Very high94.8Very high13 Ų1352 Ų526%0.05727%0.272CS..Hα-helixtrans-118.7-18.2-167.7-53.9-60.6000114.8I69 F90 D92 L148 R178 I179 A182I69-F94 HydrophobicContact CD1-CE2 3.65Å; I69-F94 HydrophobicContact CD1-CZ 3.99Å; F90-F94 HydrophobicContact CB-CD2 4.07Å; F90-F94 HydrophobicContact CB-CE2 4.48Å; F90-F94 HydrophobicContact CG-CE2 4.48Å; F90-F94 WeakPolarHBondContact O-CB 3.38Å; F90-F94 WeakPolarHBondContact O-CD2 3.49Å; F90-F94 PolarHBondContact O-N 2.84Å; D92-F94 PolarHBondContact O-N 3.16Å; F94-L148 HydrophobicContact CD2-CD2 3.83Å; F94-L148 HydrophobicContact CE2-CD2 4.24Å; F94-R178 VanDerWaalsContact O-CZ 3.23Å; F94-R178 PolarHBondContact O-NH1 3.37Å; F94-R178 PolarHBondContact O-NH2 3.43Å; F94-I179 HydrophobicContact CB-CD1 4.06Å; F94-I179 HydrophobicContact CB-CG1 4.08Å; F94-I179 HydrophobicContact CD1-CG1 4.29Å; F94-I179 HydrophobicContact CD1-CG2 4.3Å; F94-I179 HydrophobicContact CE1-CG2 4.48Å; F94-I179 HydrophobicContact CG-CG1 4.26Å; F94-I179 HydrophobicContact CG-CG2 4.34Å; F94-A182 HydrophobicContact CE1-CB 4.48Å
95F96.3Very high94.8Very high0 Ų052.3 Ų52.30%028%0.275CS..Hα-helixtrans-123.48.5-173.8-56.9-89.1000113.9F90 N91 G97 K98 L99 L148 M151 I152 L155 I179F90-F95 WeakPolarHBondContact O-CD2 3.42Å; N91-F95 CarbonylContact O-C 3.51Å; N91-F95 WeakPolarHBondContact O-CA 3.38Å; N91-F95 WeakPolarHBondContact O-CB 3.34Å; N91-F95 PolarHBondContact O-N 3.06Å; F95-G97 VanDerWaalsContact C-N 3.29Å; F95-G97 PolarHBondContact O-N 2.86Å; F95-K98 VanDerWaalsContact O-CB 3.28Å; F95-K98 WeakPolarHBondContact O-CB 3.29Å; F95-K98 WeakPolarHBondContact O-CG 3.42Å; F95-K98 PolarHBondContact O-N 2.78Å; F95-K98 VanDerWaalsContact O-N 3.11Å; F95-L99 HydrophobicContact CB-CD1 3.94Å; F95-L99 HydrophobicContact CB-CG 3.94Å; F95-L99 HydrophobicContact CD1-CD1 3.88Å; F95-L99 HydrophobicContact CD1-CG 4.48Å; F95-L99 HydrophobicContact CD2-CD1 3.98Å; F95-L99 HydrophobicContact CE1-CD1 4.4Å; F95-L99 HydrophobicContact CE2-CD1 4.49Å; F95-L99 HydrophobicContact CG-CD1 3.66Å; F95-L99 HydrophobicContact CG-CG 4.2Å; F95-L148 HydrophobicContact CE2-CD2 4.07Å; F95-M151 HydrophobicContact CD2-CB 4.37Å; F95-M151 HydrophobicContact CD2-CE 3.78Å; F95-M151 HydrophobicContact CE1-CB 4.13Å; F95-M151 WeakPolarHBondContact CE1-O 3.35Å; F95-M151 HydrophobicContact CE2-CB 3.63Å; F95-M151 HydrophobicContact CE2-CE 3.86Å; F95-M151 HydrophobicContact CE2-SD 4.26Å; F95-M151 HydrophobicContact CZ-CB 3.48Å; F95-M151 VanDerWaalsContact CZ-CB 3.48Å; F95-I152 HydrophobicContact CE1-CG1 4.06Å; F95-I152 HydrophobicContact CZ-CG1 4.04Å; F95-L155 HydrophobicContact CD1-CB 3.95Å; F95-L155 HydrophobicContact CD1-CD1 4.2Å; F95-L155 HydrophobicContact CD1-CD2 3.97Å; F95-L155 HydrophobicContact CD1-CG 4.25Å; F95-L155 HydrophobicContact CE1-CB 4.24Å; F95-L155 HydrophobicContact CE1-CD2 4.41Å; F95-I179 HydrophobicContact CE1-CD1 4.13Å; F95-I179 HydrophobicContact CE2-CD1 4.11Å; F95-I179 HydrophobicContact CZ-CD1 3.56Å
96W96Very high94.8Very high149 Ų14953.1 Ų53.156%0.56427%0.268SS*.THydrogen-bonded Turntrans56.737.6174.7-46.4-85.3000113.5N91 K98 L155 R178N91-W96 PolarHBondContact O-N 3.16Å; W96-K98 HydrophobicContact CB-CG 4.49Å; W96-K98 HydrophobicContact CE3-CD 4.49Å; W96-K98 PolarHBondContact O-N 3.01Å; W96-K98 VanDerWaalsContact O-N 3.13Å; W96-L155 HydrophobicContact CZ3-CD2 4.47Å; W96-R178 VanDerWaalsContact CH2-NH1 3.27Å; W96-R178 VanDerWaalsContact CZ2-NH1 3.31Å
97G94.7Very high94.8Very high17 Ų1754.1 Ų54.118%0.17528%0.276CS..THydrogen-bonded Turntrans72.6-2-17800000115.1N91 F95 L99 N100N91-G97 WeakPolarHBondContact ND2-CA 3.43Å; N91-G97 PolarHBondContact O-N 3.25Å; N91-G97 VanDerWaalsContact O-N 3.12Å; N91-G97 WeakPolarHBondContact OD1-CA 3.42Å; F95-G97 VanDerWaalsContact C-N 3.29Å; F95-G97 PolarHBondContact O-N 2.86Å; G97-L99 PolarHBondContact O-N 3.39Å; G97-L99 VanDerWaalsContact O-N 3.11Å; G97-N100 PolarHBondContact O-N 3Å; G97-N100 PolarHBondContact O-ND2 3.4Å; G97-N100 PolarHBondContact O-OD1 2.88Å
98K93Very high94.6Very high114 Ų11458.2 Ų58.250%0.49630%0.302SS..THydrogen-bonded Turntrans-70.1-10.5-168.9-65.3-176.8179.4-177.90114.5N91 F95 W96 L155 T159N91-K98 PolarHBondContact OD1-N 3.27Å; F95-K98 VanDerWaalsContact O-CB 3.28Å; F95-K98 WeakPolarHBondContact O-CB 3.29Å; F95-K98 WeakPolarHBondContact O-CG 3.42Å; F95-K98 PolarHBondContact O-N 2.78Å; F95-K98 VanDerWaalsContact O-N 3.11Å; W96-K98 HydrophobicContact CB-CG 4.49Å; W96-K98 HydrophobicContact CE3-CD 4.49Å; W96-K98 PolarHBondContact O-N 3.01Å; W96-K98 VanDerWaalsContact O-N 3.13Å; K98-L155 HydrophobicContact CB-CD1 4.04Å; K98-L155 HydrophobicContact CD-CD1 4.25Å; K98-T159 HydrophobicContact CD-CG2 4.1Å
99L94.1Very high94.2Very high0 Ų065 Ų650%032%0.323CS..THydrogen-bonded Turntrans-99.611.6178.6-48.3-178.9000112.9F87 N91 F95 G97 G101 V102 M151 A154 L155F87-L99 HydrophobicContact CE2-CB 4.29Å; F87-L99 HydrophobicContact CZ-CB 3.78Å; F87-L99 WeakPolarHBondContact CZ-O 3.32Å; N91-L99 HydrophobicContact CB-CB 4.48Å; N91-L99 WeakPolarHBondContact OD1-CA 3.37Å; N91-L99 VanDerWaalsContact OD1-CB 3.23Å; N91-L99 WeakPolarHBondContact OD1-CB 3.26Å; N91-L99 PolarHBondContact OD1-N 3Å; F95-L99 HydrophobicContact CB-CD1 3.94Å; F95-L99 HydrophobicContact CB-CG 3.94Å; F95-L99 HydrophobicContact CD1-CD1 3.88Å; F95-L99 HydrophobicContact CD1-CG 4.48Å; F95-L99 HydrophobicContact CD2-CD1 3.98Å; F95-L99 HydrophobicContact CE1-CD1 4.4Å; F95-L99 HydrophobicContact CE2-CD1 4.49Å; F95-L99 HydrophobicContact CG-CD1 3.66Å; F95-L99 HydrophobicContact CG-CG 4.2Å; G97-L99 PolarHBondContact O-N 3.39Å; G97-L99 VanDerWaalsContact O-N 3.11Å; L99-G101 PolarHBondContact O-N 3.47Å; L99-G101 VanDerWaalsContact O-N 3.08Å; L99-V102 HydrophobicContact CB-CB 4.25Å; L99-V102 HydrophobicContact CB-CG2 3.8Å; L99-V102 HydrophobicContact CD2-CG2 4.13Å; L99-V102 VanDerWaalsContact O-CB 3.26Å; L99-V102 WeakPolarHBondContact O-CB 3.23Å; L99-V102 WeakPolarHBondContact O-CG2 3.38Å; L99-V102 PolarHBondContact O-N 2.95Å; L99-M151 HydrophobicContact CD1-CB 3.8Å; L99-M151 HydrophobicContact CD1-CE 3.76Å; L99-M151 HydrophobicContact CD1-CG 4.11Å; L99-A154 HydrophobicContact CD2-CB 4.13Å; L99-L155 HydrophobicContact CD2-CB 4.09Å; L99-L155 HydrophobicContact CD2-CD1 4.18Å
100N91.5Very high94Very high106 Ų10661.7 Ų61.757%0.56731%0.308SS*.THydrogen-bonded Turntrans-52.8-32.9178.1-74.9-7.1000114N91 G97 V102N91-N100 PolarHBondContact ND2-OD1 2.71Å; G97-N100 PolarHBondContact O-N 3Å; G97-N100 PolarHBondContact O-ND2 3.4Å; G97-N100 PolarHBondContact O-OD1 2.88Å; N100-V102 VanDerWaalsContact C-N 3.29Å; N100-V102 PolarHBondContact O-N 3.28Å
101G89.6Confident93.6Very high65 Ų6563 Ų6367%0.6732%0.316SS*.THydrogen-bonded Turntrans-81.98.8174.900000115.8L99L99-G101 PolarHBondContact O-N 3.47Å; L99-G101 VanDerWaalsContact O-N 3.08Å
102V92.8Very high93Very high4 Ų467.3 Ų67.32%0.02434%0.338CS..EExtended strand (participates in β ladder)trans-102.3128.2-176.8-173.30000110.6R84 F87 L99 N100 C126 I128 A154 V158R84-V102 PolarHBondContact NH1-O 2.81Å; F87-V102 HydrophobicContact CE2-CB 4.35Å; F87-V102 HydrophobicContact CE2-CG1 4.37Å; F87-V102 HydrophobicContact CZ-CB 3.94Å; F87-V102 HydrophobicContact CZ-CG1 4.43Å; L99-V102 HydrophobicContact CB-CB 4.25Å; L99-V102 HydrophobicContact CB-CG2 3.8Å; L99-V102 HydrophobicContact CD2-CG2 4.13Å; L99-V102 VanDerWaalsContact O-CB 3.26Å; L99-V102 WeakPolarHBondContact O-CB 3.23Å; L99-V102 WeakPolarHBondContact O-CG2 3.38Å; L99-V102 PolarHBondContact O-N 2.95Å; N100-V102 VanDerWaalsContact C-N 3.29Å; N100-V102 PolarHBondContact O-N 3.28Å; V102-C126 WeakPolarHBondContact CA-O 3.49Å; V102-C126 HydrophobicContact CG1-CB 4.25Å; V102-C126 WeakPolarHBondContact CG1-O 3.34Å; V102-C126 HydrophobicContact CG2-CB 4.1Å; V102-I128 HydrophobicContact CG1-CD1 4.06Å; V102-I128 HydrophobicContact CG1-CG1 4.02Å; V102-A154 HydrophobicContact CG1-CB 4.12Å; V102-A154 HydrophobicContact CG2-CB 4.28Å; V102-V158 HydrophobicContact CG2-CG2 4.29Å
103E93.8Very high92.5Very high70 Ų7065.1 Ų65.133%0.32733%0.33SS..EExtended strand (participates in β ladder)trans-78.3138170.9171.4167.5-7700110.2K105 C126 S127 I128 R129E103-K105 HydrophobicContact CG-CD 4.18Å; E103-K105 HydrophobicContact CG-CG 3.97Å; E103-K105 VanDerWaalsContact OE1-CE 3.22Å; E103-K105 WeakPolarHBondContact OE1-CE 3.22Å; E103-K105 IonicContact OE1-NZ 2.88Å; E103-K105 PolarHBondContact OE1-NZ 3.39Å; E103-K105 VanDerWaalsContact OE2-CD 3.27Å; E103-K105 WeakPolarHBondContact OE2-CD 3.28Å; E103-K105 VanDerWaalsContact OE2-CE 3.31Å; E103-K105 WeakPolarHBondContact OE2-CE 3.41Å; E103-K105 IonicContact OE2-NZ 2.64Å; E103-K105 PolarHBondContact OE2-NZ 3.11Å; E103-C126 PolarHBondContact N-O 2.85Å; E103-S127 CarbonylContact O-C 3.24Å; E103-S127 WeakPolarHBondContact O-CA 3.15Å; E103-I128 PolarHBondContact O-N 3.33Å; E103-R129 IonicContact OE2-NH2 3.9Å; E103-R129 PolarHBondContact OE2-NH2 3.23Å
104V95.6Very high92.3Very high14 Ų1460 Ų609%0.08531%0.306CS..EExtended strand (participates in β ladder)trans-123.3129.6168.370.50000109.4L83 F87 I128 L147L83-V104 HydrophobicContact CD1-CG2 3.94Å; L83-V104 HydrophobicContact CD2-CG2 4.04Å; L83-V104 HydrophobicContact CG-CG1 4.45Å; L83-V104 HydrophobicContact CG-CG2 3.83Å; F87-V104 HydrophobicContact CB-CB 4.35Å; F87-V104 HydrophobicContact CB-CG1 3.74Å; F87-V104 HydrophobicContact CD1-CG1 4.19Å; F87-V104 HydrophobicContact CD2-CB 3.98Å; F87-V104 HydrophobicContact CD2-CG1 4.18Å; F87-V104 HydrophobicContact CD2-CG2 4.33Å; F87-V104 HydrophobicContact CG-CB 4.08Å; F87-V104 HydrophobicContact CG-CG1 3.75Å; V104-I128 WeakPolarHBondContact CA-O 3.34Å; V104-I128 HydrophobicContact CG2-CB 4.2Å; V104-I128 HydrophobicContact CG2-CG2 4.07Å; V104-L147 HydrophobicContact CG2-CD1 4.02Å
105K95.3Very high92.1Very high99 Ų9959.8 Ų59.843%0.4331%0.306SS..EExtended strand (participates in β ladder)trans-145.1150.2179.6-74.2-173.7-178.6147.40113.3E103 I128 R129 L130E103-K105 HydrophobicContact CG-CD 4.18Å; E103-K105 HydrophobicContact CG-CG 3.97Å; E103-K105 VanDerWaalsContact OE1-CE 3.22Å; E103-K105 WeakPolarHBondContact OE1-CE 3.22Å; E103-K105 IonicContact OE1-NZ 2.88Å; E103-K105 PolarHBondContact OE1-NZ 3.39Å; E103-K105 VanDerWaalsContact OE2-CD 3.27Å; E103-K105 WeakPolarHBondContact OE2-CD 3.28Å; E103-K105 VanDerWaalsContact OE2-CE 3.31Å; E103-K105 WeakPolarHBondContact OE2-CE 3.41Å; E103-K105 IonicContact OE2-NZ 2.64Å; E103-K105 PolarHBondContact OE2-NZ 3.11Å; K105-I128 PolarHBondContact N-O 2.84Å; K105-R129 VanDerWaalsContact O-CA 3.3Å; K105-R129 WeakPolarHBondContact O-CA 3.23Å; K105-L130 PolarHBondContact O-N 3.07Å
106W94.9Very high91.9Very high86 Ų8662.1 Ų62.133%0.32632%0.32SS..EExtended strand (participates in β ladder)trans-68.8150.2163-72.9115.4000111.9L83 L130 E132 L135 L143L83-W106 HydrophobicContact CB-CZ2 4.41Å; L83-W106 HydrophobicContact CD2-CD2 3.77Å; L83-W106 HydrophobicContact CD2-CE3 4.41Å; L83-W106 HydrophobicContact CD2-CG 3.88Å; L83-W106 HydrophobicContact CD2-CZ2 4.29Å; W106-L130 CarbonylContact C-O 3.6Å; W106-L130 HydrophobicContact CE3-CB 3.91Å; W106-L130 HydrophobicContact CZ3-CB 3.86Å; W106-E132 HydrophobicContact CE3-CB 4.06Å; W106-L135 HydrophobicContact CH2-CB 4.26Å; W106-L135 HydrophobicContact CZ3-CB 4.11Å; W106-L135 HydrophobicContact CZ3-CD1 4.31Å; W106-L143 HydrophobicContact CH2-CD1 3.53Å; W106-L143 HydrophobicContact CH2-CD2 3.94Å; W106-L143 HydrophobicContact CH2-CG 4.38Å; W106-L143 HydrophobicContact CZ2-CD1 4.12Å; W106-L143 HydrophobicContact CZ2-CD2 4.07Å; W106-L143 HydrophobicContact CZ3-CD1 4.31Å
107S94.2Very high91.6Very high26 Ų2655.8 Ų55.818%0.18230%0.299CS..EExtended strand (participates in β ladder)trans-127102.3177.8-173.80000110.2R109 M110 L130 E132 P133S107-R109 PolarHBondContact O-N 2.94Å; S107-M110 WeakPolarHBondContact OG-CB 3.44Å; S107-L130 WeakPolarHBondContact CB-O 3.45Å; S107-L130 PolarHBondContact N-O 2.98Å; S107-E132 PolarHBondContact O-N 2.96Å; S107-P133 WeakPolarHBondContact O-CD 3.31Å
108P92Very high91.3Very high86 Ų8657.5 Ų57.556%0.55831%0.308SS*.THydrogen-bonded Turntrans-722.3-174.628.7-36.1000114.1E132P108-E132 WeakPolarHBondContact CB-OE2 3.43Å
109R89Confident90.8Very high213 Ų21356.1 Ų56.180%0.80430%0.3SS*.THydrogen-bonded Turntrans-132.7-1.9-174.1-62.6-17666.6-167.8-0.6114.3S107S107-R109 PolarHBondContact O-N 2.94Å
110M90Very high89.9Confident24 Ų2462.6 Ų62.612%0.11833%0.331CS..  trans-81120.3178.3-171.1162.877.100110.1S107 V116 R129 S131S107-M110 WeakPolarHBondContact OG-CB 3.44Å; M110-V116 HydrophobicContact CE-CG1 4.15Å; M110-V116 HydrophobicContact SD-CB 4.22Å; M110-V116 HydrophobicContact SD-CG1 3.51Å; M110-V116 VanDerWaalsContact SD-CG1 3.51Å; M110-R129 VanDerWaalsContact CE-O 3.31Å; M110-R129 WeakPolarHBondContact CE-O 3.45Å; M110-S131 WeakPolarHBondContact O-CB 3.32Å; M110-S131 PolarHBondContact O-OG 3.08Å
111T88.3Confident88.8Confident27 Ų2759.5 Ų59.517%0.16632%0.324CS..  trans-139.614-17047.30000113.1P133 Y200T111-P133 HydrophobicContact CG2-CB 3.98Å; T111-P133 HydrophobicContact CG2-CG 4.19Å; T111-Y200 HydrophobicContact CG2-CD1 3.65Å; T111-Y200 HydrophobicContact CG2-CD2 4.02Å; T111-Y200 HydrophobicContact CG2-CE1 3.92Å; T111-Y200 HydrophobicContact CG2-CE2 4.26Å; T111-Y200 HydrophobicContact CG2-CG 3.71Å
112L84.3Confident87.4Confident91 Ų9168.9 Ų68.948%0.47634%0.339SS..SBendtrans-114.3-20-179.4-64.2178.2000113.4V197 A224L112-V197 HydrophobicContact CD2-CG1 4.35Å; L112-A224 HydrophobicContact CD2-CB 3.91Å
113C86.9Confident86Confident53 Ų5371.4 Ų71.436%0.35837%0.366SS..  trans-153.8153.3178.153.30000107.8G115 L134C113-G115 PolarHBondContact SG-O 2.75Å; C113-L134 WeakPolarHBondContact O-CD1 3.33Å
114A90.1Very high84.7Confident4 Ų469.9 Ų69.93%0.03337%0.369CS..SBendtrans-83.4-29.9-178.800000113.2L130 S131 L135 T146 F193A114-L130 CarbonylContact O-C 3.46Å; A114-L130 WeakPolarHBondContact O-CA 3.43Å; A114-S131 WeakPolarHBondContact O-CB 3.37Å; A114-S131 PolarHBondContact O-N 3.3Å; A114-L135 HydrophobicContact CB-CD1 4.18Å; A114-L135 HydrophobicContact CB-CD2 4.03Å; A114-L135 HydrophobicContact CB-CG 4.06Å; A114-T146 HydrophobicContact CB-CG2 3.9Å; A114-F193 HydrophobicContact CB-CD2 3.43Å; A114-F193 VanDerWaalsContact CB-CD2 3.43Å; A114-F193 HydrophobicContact CB-CE1 4.34Å; A114-F193 HydrophobicContact CB-CE2 3.15Å; A114-F193 HydrophobicContact CB-CG 4.13Å; A114-F193 HydrophobicContact CB-CZ 3.67Å
115G91.8Very high83.9Confident7 Ų774.2 Ų74.27%0.07239%0.391CS..EExtended strand (participates in β ladder)trans-124.3162.5170.700000111.7C113 R129 E150C113-G115 PolarHBondContact SG-O 2.75Å; G115-R129 CarbonylContact C-O 3.55Å; G115-R129 WeakPolarHBondContact CA-O 3.33Å; G115-E150 VanDerWaalsContact CA-OE1 3.26Å; G115-E150 WeakPolarHBondContact CA-OE1 3.15Å
116V91.3Very high83.6Confident49 Ų4969.6 Ų69.630%0.29737%0.371SS..EExtended strand (participates in β ladder)trans-156.8127158.665.30000110.8M110 R129 E150M110-V116 HydrophobicContact CE-CG1 4.15Å; M110-V116 HydrophobicContact SD-CB 4.22Å; M110-V116 HydrophobicContact SD-CG1 3.51Å; M110-V116 VanDerWaalsContact SD-CG1 3.51Å; V116-R129 HydrophobicContact CG1-CB 4.02Å; V116-R129 PolarHBondContact N-O 2.83Å; V116-R129 PolarHBondContact O-N 3.04Å; V116-E150 VanDerWaalsContact C-OE2 3.29Å; V116-E150 WeakPolarHBondContact CA-OE2 3.36Å; V116-E150 PolarHBondContact N-OE1 3.48Å
117C90.8Very high83.4Confident16 Ų1666.5 Ų66.511%0.10836%0.363CS..EExtended strand (participates in β ladder)trans-89.4135.2166.3-167.60000110.2S127 E150 H153 F157C117-S127 CarbonylContact C-O 3.12Å; C117-S127 WeakPolarHBondContact CA-O 3.46Å; C117-E150 WeakPolarHBondContact CB-OE2 3.44Å; C117-E150 PolarHBondContact N-OE2 2.85Å; C117-H153 HydrophobicContact CB-CB 3.7Å; C117-F157 HydrophobicContact CB-CE2 4.07Å
118S87.5Confident83.5Confident53 Ų5365.3 Ų65.337%0.37135%0.354SS..EExtended strand (participates in β ladder)trans-135.8123.4-177.7-68.40000110.8S127S118-S127 PolarHBondContact N-O 3.02Å; S118-S127 PolarHBondContact O-N 3.3Å; S118-S127 PolarHBondContact O-OG 3.45Å
119Y83Confident83.6Confident85 Ų8565.3 Ų65.333%0.33334%0.343SS..EExtended strand (participates in β ladder)trans-107.3121.8-177.8-178.8-100.1000111.4G121 G124 C126 F157Y119-G121 WeakPolarHBondContact CE1-O 3.48Å; Y119-G121 PolarHBondContact O-N 2.87Å; Y119-G121 PolarHBondContact OH-O 3.07Å; Y119-G124 WeakPolarHBondContact CE2-O 3.39Å; Y119-C126 HydrophobicContact CD2-CB 4.15Å; Y119-F157 HydrophobicContact CD2-CB 4.11Å; Y119-F157 HydrophobicContact CG-CB 4.4Å
120E75.4Confident83.9Confident137 Ų13755.1 Ų55.164%0.6431%0.305SS*.  trans-83.539.5-172.7-155.6155.7-127.200113.2R122 G123 L125E120-R122 PolarHBondContact O-N 3.43Å; E120-G123 PolarHBondContact O-N 3.41Å; E120-G123 VanDerWaalsContact O-N 3.08Å; E120-L125 HydrophobicContact CB-CB 4.2Å; E120-L125 WeakPolarHBondContact CB-O 3.34Å; E120-L125 PolarHBondContact N-O 3.48Å
121G68.7Low84.1Confident41 Ų4154 Ų5442%0.42330%0.299SS..G310 helixtrans55.2-100.5164.900000115Y119Y119-G121 WeakPolarHBondContact CE1-O 3.48Å; Y119-G121 PolarHBondContact O-N 2.87Å; Y119-G121 PolarHBondContact OH-O 3.07Å
122R60.6Low84.2Confident261 Ų26155.5 Ų55.599%0.98530%0.304SS*.G310 helixtrans-84.2-11-173.2-141.7-173.3-62.3-1523.7113.4E120E120-R122 PolarHBondContact O-N 3.43Å
123G62.5Low84.3Confident57 Ų5753 Ų5359%0.58829%0.294SS*.G310 helixtrans-94.5-6.7177.700000115E120 L125E120-G123 PolarHBondContact O-N 3.41Å; E120-G123 VanDerWaalsContact O-N 3.08Å; G123-L125 PolarHBondContact O-N 3.15Å
124G65.9Low84.4Confident38 Ų3850.8 Ų50.839%0.39228%0.278SS..  trans73.3-15.7178.800000116.1Y119 C126Y119-G124 WeakPolarHBondContact CE2-O 3.39Å; G124-C126 PolarHBondContact O-N 3.26Å
125L79.1Confident84.2Confident105 Ų10550.8 Ų50.855%0.5528%0.277SS..  trans-63.9125.2-178.8-60.5179000111.2E120 G123E120-L125 HydrophobicContact CB-CB 4.2Å; E120-L125 WeakPolarHBondContact CB-O 3.34Å; E120-L125 PolarHBondContact N-O 3.48Å; G123-L125 PolarHBondContact O-N 3.15Å
126C88.9Confident83.6Confident3 Ų355.8 Ų55.82%0.0230%0.297CS..EExtended strand (participates in β ladder)trans-112.5134.8176-169.80000108.6V102 E103 Y119 G124 V158V102-C126 WeakPolarHBondContact CA-O 3.49Å; V102-C126 HydrophobicContact CG1-CB 4.25Å; V102-C126 WeakPolarHBondContact CG1-O 3.34Å; V102-C126 HydrophobicContact CG2-CB 4.1Å; E103-C126 PolarHBondContact N-O 2.85Å; Y119-C126 HydrophobicContact CD2-CB 4.15Å; G124-C126 PolarHBondContact O-N 3.26Å; C126-V158 HydrophobicContact CB-CG2 4.28Å
127S92.1Very high82.9Confident21 Ų2161.7 Ų61.715%0.14733%0.326CS..EExtended strand (participates in β ladder)trans-133.7126.9-179.763.80000112.1E103 C117 S118E103-S127 CarbonylContact O-C 3.24Å; E103-S127 WeakPolarHBondContact O-CA 3.15Å; C117-S127 CarbonylContact C-O 3.12Å; C117-S127 WeakPolarHBondContact CA-O 3.46Å; S118-S127 PolarHBondContact N-O 3.02Å; S118-S127 PolarHBondContact O-N 3.3Å; S118-S127 PolarHBondContact O-OG 3.45Å
128I95Very high82.5Confident0 Ų064.7 Ų64.70%034%0.335CS..EExtended strand (participates in β ladder)trans-94.3130.1170.7-63.9171.6000108F87 V102 E103 V104 K105 L130 L147 E150 M151 A154F87-I128 HydrophobicContact CD2-CD1 4.47Å; F87-I128 HydrophobicContact CE2-CD1 4.1Å; V102-I128 HydrophobicContact CG1-CD1 4.06Å; V102-I128 HydrophobicContact CG1-CG1 4.02Å; E103-I128 PolarHBondContact O-N 3.33Å; V104-I128 WeakPolarHBondContact CA-O 3.34Å; V104-I128 HydrophobicContact CG2-CB 4.2Å; V104-I128 HydrophobicContact CG2-CG2 4.07Å; K105-I128 PolarHBondContact N-O 2.84Å; I128-L130 HydrophobicContact CG2-CD2 4.17Å; I128-L130 HydrophobicContact CG2-CG 4.44Å; I128-L147 HydrophobicContact CG2-CD1 4.48Å; I128-E150 HydrophobicContact CB-CB 4.4Å; I128-E150 HydrophobicContact CD1-CB 4.19Å; I128-E150 HydrophobicContact CG1-CB 4.07Å; I128-E150 HydrophobicContact CG2-CB 3.56Å; I128-E150 HydrophobicContact CG2-CG 4.15Å; I128-M151 HydrophobicContact CD1-CB 4.34Å; I128-M151 HydrophobicContact CD1-CG 3.61Å; I128-A154 HydrophobicContact CD1-CB 4.02Å; I128-A154 HydrophobicContact CG1-CB 4.31Å
129R95.1Very high82.5Confident86 Ų8664.5 Ų64.533%0.32533%0.333SS..EExtended strand (participates in β ladder)trans-123.3127.7174.9-61.9-179.7-172.9-74.3-16.6109.4E103 K105 M110 G115 V116E103-R129 IonicContact OE2-NH2 3.9Å; E103-R129 PolarHBondContact OE2-NH2 3.23Å; K105-R129 VanDerWaalsContact O-CA 3.3Å; K105-R129 WeakPolarHBondContact O-CA 3.23Å; M110-R129 VanDerWaalsContact CE-O 3.31Å; M110-R129 WeakPolarHBondContact CE-O 3.45Å; G115-R129 CarbonylContact C-O 3.55Å; G115-R129 WeakPolarHBondContact CA-O 3.33Å; V116-R129 HydrophobicContact CG1-CB 4.02Å; V116-R129 PolarHBondContact N-O 2.83Å; V116-R129 PolarHBondContact O-N 3.04Å
130L94.7Very high82.8Confident0 Ų061.3 Ų61.30%032%0.32CS..EExtended strand (participates in β ladder)trans-108.3146.3176.5-63.2-166.7000111.5L83 K105 W106 S107 A114 I128 E132 L135 L143 T146 L147 E150L83-L130 HydrophobicContact CD1-CD1 3.62Å; L83-L130 HydrophobicContact CD1-CG 4.48Å; L83-L130 HydrophobicContact CD2-CB 4.48Å; L83-L130 HydrophobicContact CD2-CD1 4.37Å; K105-L130 PolarHBondContact O-N 3.07Å; W106-L130 CarbonylContact C-O 3.6Å; W106-L130 HydrophobicContact CE3-CB 3.91Å; W106-L130 HydrophobicContact CZ3-CB 3.86Å; S107-L130 WeakPolarHBondContact CB-O 3.45Å; S107-L130 PolarHBondContact N-O 2.98Å; A114-L130 CarbonylContact O-C 3.46Å; A114-L130 WeakPolarHBondContact O-CA 3.43Å; I128-L130 HydrophobicContact CG2-CD2 4.17Å; I128-L130 HydrophobicContact CG2-CG 4.44Å; L130-E132 PolarHBondContact O-N 3.26Å; L130-L135 HydrophobicContact CB-CD1 4.1Å; L130-L135 HydrophobicContact CD1-CD1 4.3Å; L130-L143 HydrophobicContact CD1-CD1 3.48Å; L130-L143 VanDerWaalsContact CD1-CD1 3.48Å; L130-T146 HydrophobicContact CD2-CG2 4Å; L130-L147 HydrophobicContact CD1-CB 4.08Å; L130-L147 HydrophobicContact CD1-CD1 4.28Å; L130-E150 HydrophobicContact CD2-CG 4.13Å
131S93.5Very high83.5Confident0 Ų059 Ų590%031%0.308CS..EExtended strand (participates in β ladder)trans-80.3107.7-177.7174.10000110.4M110 A114 P133 L134 L135M110-S131 WeakPolarHBondContact O-CB 3.32Å; M110-S131 PolarHBondContact O-OG 3.08Å; A114-S131 WeakPolarHBondContact O-CB 3.37Å; A114-S131 PolarHBondContact O-N 3.3Å; S131-P133 WeakPolarHBondContact OG-CD 3.45Å; S131-L134 PolarHBondContact O-N 2.96Å; S131-L134 VanDerWaalsContact OG-CB 3.27Å; S131-L134 WeakPolarHBondContact OG-CB 3.31Å; S131-L134 WeakPolarHBondContact OG-CG 3.27Å; S131-L134 PolarHBondContact OG-N 3.27Å; S131-L135 WeakPolarHBondContact O-CB 3.48Å; S131-L135 PolarHBondContact O-N 2.93Å
132E91Very high84.5Confident58 Ų5858.3 Ų58.327%0.27129%0.294SS..Hα-helixtrans-60.5-44.3168.9-172.3-174.1-171.300111.2W106 S107 P108 L130 L134 K136W106-E132 HydrophobicContact CE3-CB 4.06Å; S107-E132 PolarHBondContact O-N 2.96Å; P108-E132 WeakPolarHBondContact CB-OE2 3.43Å; L130-E132 PolarHBondContact O-N 3.26Å; E132-L134 VanDerWaalsContact C-N 3.28Å; E132-L134 PolarHBondContact O-N 3.33Å; E132-K136 HydrophobicContact CG-CB 4.15Å; E132-K136 HydrophobicContact CG-CD 3.72Å; E132-K136 HydrophobicContact CG-CG 4.48Å; E132-K136 WeakPolarHBondContact O-CB 3.49Å; E132-K136 PolarHBondContact O-N 3.1Å; E132-K136 VanDerWaalsContact O-N 3.11Å; E132-K136 WeakPolarHBondContact OE1-CD 3.5Å; E132-K136 IonicContact OE1-NZ 2.62Å; E132-K136 PolarHBondContact OE1-NZ 2.64Å
133P87.3Confident86Confident39 Ų3946.4 Ų46.425%0.25325%0.251SS..Hα-helixtrans-69.1-12.7-179.5-21.334.7000116.6S107 T111 S131 Y200S107-P133 WeakPolarHBondContact O-CD 3.31Å; T111-P133 HydrophobicContact CG2-CB 3.98Å; T111-P133 HydrophobicContact CG2-CG 4.19Å; S131-P133 WeakPolarHBondContact OG-CD 3.45Å; P133-Y200 HydrophobicContact CB-CE1 4.36Å; P133-Y200 HydrophobicContact CB-CE2 4.31Å; P133-Y200 WeakPolarHBondContact CB-OH 3.27Å; P133-Y200 PolarHBondContact O-OH 3.49Å
134L87.1Confident87.5Confident7 Ų743.7 Ų43.74%0.03722%0.223CC..Hα-helixtrans-109.6-25.3177.8-66.2167.9000113.7C113 S131 E132 R138 E196 V197 Y200C113-L134 WeakPolarHBondContact O-CD1 3.33Å; S131-L134 PolarHBondContact O-N 2.96Å; S131-L134 VanDerWaalsContact OG-CB 3.27Å; S131-L134 WeakPolarHBondContact OG-CB 3.31Å; S131-L134 WeakPolarHBondContact OG-CG 3.27Å; S131-L134 PolarHBondContact OG-N 3.27Å; E132-L134 VanDerWaalsContact C-N 3.28Å; E132-L134 PolarHBondContact O-N 3.33Å; L134-R138 WeakPolarHBondContact O-CG 3.3Å; L134-E196 HydrophobicContact CD2-CB 3.71Å; L134-V197 HydrophobicContact CD1-CG2 3.88Å; L134-V197 HydrophobicContact CD2-CG2 4.07Å; L134-Y200 HydrophobicContact CD2-CD2 3.91Å; L134-Y200 HydrophobicContact CD2-CE2 3.72Å; L134-Y200 HydrophobicContact CG-CE2 4.37Å
135L87.6Confident88.8Confident3 Ų343.4 Ų43.42%0.01621%0.211CC..Hα-helixtrans-107.8-25.1-175.2-64.5169.8000114.4W106 A114 L130 S131 L137 R138 D142 L143 T146 F193W106-L135 HydrophobicContact CH2-CB 4.26Å; W106-L135 HydrophobicContact CZ3-CB 4.11Å; W106-L135 HydrophobicContact CZ3-CD1 4.31Å; A114-L135 HydrophobicContact CB-CD1 4.18Å; A114-L135 HydrophobicContact CB-CD2 4.03Å; A114-L135 HydrophobicContact CB-CG 4.06Å; L130-L135 HydrophobicContact CB-CD1 4.1Å; L130-L135 HydrophobicContact CD1-CD1 4.3Å; S131-L135 WeakPolarHBondContact O-CB 3.48Å; S131-L135 PolarHBondContact O-N 2.93Å; L135-L137 PolarHBondContact O-N 2.91Å; L135-L137 VanDerWaalsContact O-N 3.09Å; L135-R138 PolarHBondContact O-N 3.02Å; L135-D142 HydrophobicContact CD2-CB 4.3Å; L135-L143 HydrophobicContact CD1-CD1 4.07Å; L135-T146 HydrophobicContact CD1-CG2 4.23Å; L135-F193 HydrophobicContact CD2-CE1 4.11Å; L135-F193 HydrophobicContact CD2-CZ 3.77Å
136K78.2Confident89.5Confident113 Ų11338.4 Ų38.449%0.49119%0.185SC..THydrogen-bonded Turntrans-64.6-17.9-173.5-167.4175.2-160.9168.50114.9E132E132-K136 HydrophobicContact CG-CB 4.15Å; E132-K136 HydrophobicContact CG-CD 3.72Å; E132-K136 HydrophobicContact CG-CG 4.48Å; E132-K136 WeakPolarHBondContact O-CB 3.49Å; E132-K136 PolarHBondContact O-N 3.1Å; E132-K136 VanDerWaalsContact O-N 3.11Å; E132-K136 WeakPolarHBondContact OE1-CD 3.5Å; E132-K136 IonicContact OE1-NZ 2.62Å; E132-K136 PolarHBondContact OE1-NZ 2.64Å
137L76.1Confident89.9Confident173 Ų17338.2 Ų38.291%0.90618%0.184SC*.THydrogen-bonded Turntrans-119.428.2177.1-58.7177.2000111.5L135L135-L137 PolarHBondContact O-N 2.91Å; L135-L137 VanDerWaalsContact O-N 3.09Å
138R83.1Confident90.1Very high79 Ų7937.2 Ų37.230%0.29818%0.177SC..SBendtrans-111.2158.6174.7-63.5-64.9-85.7-142.5-21.8110.4L134 L135 D142 E196L134-R138 WeakPolarHBondContact O-CG 3.3Å; L135-R138 PolarHBondContact O-N 3.02Å; R138-D142 HydrophobicContact CB-CB 3.9Å; R138-D142 IonicContact CZ-OD2 3.62Å; R138-D142 IonicContact NE-OD2 3.42Å; R138-D142 PolarHBondContact NE-OD2 3.28Å; R138-D142 IonicContact NH2-OD2 3.44Å; R138-D142 PolarHBondContact NH2-OD2 3.34Å; R138-E196 IonicContact CZ-OE1 3.63Å; R138-E196 IonicContact NH1-OE1 3.32Å; R138-E196 PolarHBondContact NH1-OE1 2.75Å; R138-E196 IonicContact NH2-OE1 3.27Å; R138-E196 PolarHBondContact NH2-OE1 2.92Å
139P87.1Confident90.1Very high48 Ų4837.6 Ų37.631%0.31218%0.178SC..  trans-54.3141.3168.3-22.234.1000110.6E75 K141 D142E75-P139 VanDerWaalsContact OE1-CB 3.23Å; E75-P139 WeakPolarHBondContact OE1-CB 3.34Å; E75-P139 WeakPolarHBondContact OE2-CA 3.37Å; E75-P139 WeakPolarHBondContact OE2-CB 3.45Å; P139-K141 HydrophobicContact CB-CD 4.27Å; P139-K141 HydrophobicContact CB-CG 4.2Å; P139-K141 PolarHBondContact O-N 2.99Å; P139-D142 WeakPolarHBondContact O-CB 3.37Å; P139-D142 PolarHBondContact O-N 3.34Å
140R89.3Confident90.1Very high18 Ų1834.1 Ų34.17%0.06817%0.166CC..Hα-helixtrans-45.7-38.8178.4-176.8-163.6177.791.7-2112.1E75 D78 P81 D142 L143 V144E75-R140 PolarHBondContact OE1-N 3.39Å; E75-R140 PolarHBondContact OE2-N 3.45Å; D78-R140 PolarHBondContact O-NH1 3.27Å; D78-R140 IonicContact OD1-NH1 2.71Å; D78-R140 IonicContact OD2-CZ 2.88Å; D78-R140 IonicContact OD2-NH1 2.69Å; D78-R140 PolarHBondContact OD2-NH1 3.05Å; D78-R140 IonicContact OD2-NH2 3.63Å; P81-R140 HydrophobicContact CG-CG 4.29Å; R140-D142 VanDerWaalsContact C-N 3.28Å; R140-D142 PolarHBondContact O-N 2.85Å; R140-L143 WeakPolarHBondContact O-CB 3.22Å; R140-L143 PolarHBondContact O-N 3.08Å; R140-L143 VanDerWaalsContact O-N 3.08Å; R140-V144 HydrophobicContact CG-CG2 4.14Å; R140-V144 WeakPolarHBondContact O-CG2 3.37Å; R140-V144 PolarHBondContact O-N 3.39Å
141K90.2Very high90.2Very high88 Ų8834.1 Ų34.138%0.38317%0.166SC..Hα-helixtrans-56.1-37.2177.678.4-157.8176-151.90113.8V70 E75 P139 L143 V144 E145V70-K141 HydrophobicContact CB-CB 4.12Å; V70-K141 HydrophobicContact CG1-CB 4.01Å; E75-K141 PolarHBondContact OE1-N 3.34Å; P139-K141 HydrophobicContact CB-CD 4.27Å; P139-K141 HydrophobicContact CB-CG 4.2Å; P139-K141 PolarHBondContact O-N 2.99Å; K141-L143 VanDerWaalsContact C-N 3.29Å; K141-L143 PolarHBondContact O-N 2.88Å; K141-V144 PolarHBondContact O-N 2.96Å; K141-E145 WeakPolarHBondContact O-CB 3.25Å; K141-E145 WeakPolarHBondContact O-CG 3.48Å; K141-E145 PolarHBondContact O-N 3.41Å
142D90Very high90.2Very high27 Ų2734.1 Ų34.114%0.14417%0.166CC..Hα-helixtrans-65.3-37.9179.2-7432.6000110.1L135 R138 P139 R140 T146L135-D142 HydrophobicContact CD2-CB 4.3Å; R138-D142 HydrophobicContact CB-CB 3.9Å; R138-D142 IonicContact CZ-OD2 3.62Å; R138-D142 IonicContact NE-OD2 3.42Å; R138-D142 PolarHBondContact NE-OD2 3.28Å; R138-D142 IonicContact NH2-OD2 3.44Å; R138-D142 PolarHBondContact NH2-OD2 3.34Å; P139-D142 WeakPolarHBondContact O-CB 3.37Å; P139-D142 PolarHBondContact O-N 3.34Å; R140-D142 VanDerWaalsContact C-N 3.28Å; R140-D142 PolarHBondContact O-N 2.85Å; D142-T146 VanDerWaalsContact O-CB 3.27Å; D142-T146 WeakPolarHBondContact O-CB 3.45Å; D142-T146 PolarHBondContact O-N 2.89Å; D142-T146 VanDerWaalsContact O-N 3.07Å; D142-T146 PolarHBondContact O-OG1 2.94Å
143L91.8Very high90.3Very high12 Ų1232.3 Ų32.36%0.06316%0.157CC..Hα-helixtrans-68.6-47.2175.217056.2000111.3P81 M86 W106 L130 L135 R140 K141 T146 L147P81-L143 HydrophobicContact CG-CD2 3.92Å; M86-L143 HydrophobicContact CE-CD2 3.95Å; M86-L143 HydrophobicContact CE-CG 4.05Å; W106-L143 HydrophobicContact CH2-CD1 3.53Å; W106-L143 HydrophobicContact CH2-CD2 3.94Å; W106-L143 HydrophobicContact CH2-CG 4.38Å; W106-L143 HydrophobicContact CZ2-CD1 4.12Å; W106-L143 HydrophobicContact CZ2-CD2 4.07Å; W106-L143 HydrophobicContact CZ3-CD1 4.31Å; L130-L143 HydrophobicContact CD1-CD1 3.48Å; L130-L143 VanDerWaalsContact CD1-CD1 3.48Å; L135-L143 HydrophobicContact CD1-CD1 4.07Å; R140-L143 WeakPolarHBondContact O-CB 3.22Å; R140-L143 PolarHBondContact O-N 3.08Å; R140-L143 VanDerWaalsContact O-N 3.08Å; K141-L143 VanDerWaalsContact C-N 3.29Å; K141-L143 PolarHBondContact O-N 2.88Å; L143-T146 PolarHBondContact O-N 3.23Å; L143-L147 VanDerWaalsContact O-CB 3.31Å; L143-L147 WeakPolarHBondContact O-CB 3.4Å; L143-L147 PolarHBondContact O-N 2.93Å
144V93.6Very high90.5Very high0 Ų030.5 Ų30.50%015%0.145CC..Hα-helixtrans-60.8-48.1177.7171.50000111.4I69 V70 M86 F90 R140 K141 T146 L147 L148 T185I69-V144 HydrophobicContact CG2-CG1 4.17Å; V70-V144 HydrophobicContact CG1-CB 4.02Å; V70-V144 HydrophobicContact CG1-CG1 3.66Å; M86-V144 HydrophobicContact SD-CG2 4.11Å; F90-V144 HydrophobicContact CE2-CB 4.45Å; F90-V144 HydrophobicContact CE2-CG1 3.87Å; F90-V144 HydrophobicContact CE2-CG2 4.44Å; F90-V144 HydrophobicContact CZ-CG1 3.94Å; F90-V144 HydrophobicContact CZ-CG2 4.09Å; R140-V144 HydrophobicContact CG-CG2 4.14Å; R140-V144 WeakPolarHBondContact O-CG2 3.37Å; R140-V144 PolarHBondContact O-N 3.39Å; K141-V144 PolarHBondContact O-N 2.96Å; V144-T146 PolarHBondContact O-N 3.4Å; V144-L147 PolarHBondContact O-N 2.98Å; V144-L148 HydrophobicContact CG1-CD1 3.82Å; V144-L148 WeakPolarHBondContact O-CB 3.42Å; V144-L148 WeakPolarHBondContact O-CG 3.49Å; V144-L148 PolarHBondContact O-N 3.49Å; V144-T185 HydrophobicContact CG1-CG2 4.38Å
145E93.9Very high90.7Very high31 Ų3130.3 Ų30.315%0.14514%0.144CC..Hα-helixtrans-67.1-36179.4-71.1-178.5173.400112.6K141 H149 T185 K186 I187K141-E145 WeakPolarHBondContact O-CB 3.25Å; K141-E145 WeakPolarHBondContact O-CG 3.48Å; K141-E145 PolarHBondContact O-N 3.41Å; E145-H149 WeakPolarHBondContact O-CB 3.3Å; E145-H149 PolarHBondContact O-N 2.81Å; E145-T185 HydrophobicContact CG-CG2 4.44Å; E145-K186 WeakPolarHBondContact OE1-CA 3.5Å; E145-K186 WeakPolarHBondContact OE1-CB 3.43Å; E145-K186 PolarHBondContact OE1-N 3.45Å; E145-I187 HydrophobicContact CB-CG1 4.41Å; E145-I187 HydrophobicContact CG-CG1 4.38Å
146T94.6Very high90.8Very high0 Ų030.8 Ų30.80%015%0.147CC..Hα-helixtrans-70.8-40.6174.7-53.50000111.6A114 L130 L135 D142 L143 V144 H149 E150A114-T146 HydrophobicContact CB-CG2 3.9Å; L130-T146 HydrophobicContact CD2-CG2 4Å; L135-T146 HydrophobicContact CD1-CG2 4.23Å; D142-T146 VanDerWaalsContact O-CB 3.27Å; D142-T146 WeakPolarHBondContact O-CB 3.45Å; D142-T146 PolarHBondContact O-N 2.89Å; D142-T146 VanDerWaalsContact O-N 3.07Å; D142-T146 PolarHBondContact O-OG1 2.94Å; L143-T146 PolarHBondContact O-N 3.23Å; V144-T146 PolarHBondContact O-N 3.4Å; T146-H149 WeakPolarHBondContact O-CB 3.48Å; T146-H149 PolarHBondContact O-N 3.37Å; T146-E150 PolarHBondContact O-N 2.95Å; T146-E150 VanDerWaalsContact O-N 3.15Å
147L95.7Very high91.2Very high0 Ų028.1 Ų28.10%014%0.136CC..Hα-helixtrans-60.7-48.9175.4177.555.3000110.9L83 M86 F87 F90 V104 I128 L130 L143 V144 H149 E150 M151L83-L147 HydrophobicContact CD1-CD1 4.13Å; L83-L147 HydrophobicContact CD1-CD2 3.92Å; M86-L147 HydrophobicContact CB-CD2 3.97Å; M86-L147 HydrophobicContact CE-CD2 4.26Å; F87-L147 HydrophobicContact CD2-CD1 4.43Å; F90-L147 HydrophobicContact CD2-CD2 3.88Å; F90-L147 HydrophobicContact CD2-CG 4.21Å; F90-L147 HydrophobicContact CE2-CD2 3.75Å; F90-L147 HydrophobicContact CE2-CG 4.31Å; V104-L147 HydrophobicContact CG2-CD1 4.02Å; I128-L147 HydrophobicContact CG2-CD1 4.48Å; L130-L147 HydrophobicContact CD1-CB 4.08Å; L130-L147 HydrophobicContact CD1-CD1 4.28Å; L143-L147 VanDerWaalsContact O-CB 3.31Å; L143-L147 WeakPolarHBondContact O-CB 3.4Å; L143-L147 PolarHBondContact O-N 2.93Å; V144-L147 PolarHBondContact O-N 2.98Å; L147-H149 VanDerWaalsContact C-N 3.31Å; L147-H149 PolarHBondContact O-N 3.36Å; L147-E150 PolarHBondContact O-N 3.23Å; L147-M151 HydrophobicContact CD1-CG 4.11Å; L147-M151 HydrophobicContact CD1-SD 3.9Å; L147-M151 HydrophobicContact CD2-SD 4.48Å; L147-M151 HydrophobicContact CG-CG 4.46Å; L147-M151 HydrophobicContact CG-SD 3.79Å; L147-M151 VanDerWaalsContact O-CG 3.27Å; L147-M151 WeakPolarHBondContact O-CG 3.26Å; L147-M151 PolarHBondContact O-N 2.98Å
148L96.4Very high91.5Very high0 Ų023.1 Ų23.10%011%0.112CC..Hα-helixtrans-63.6-34.8178.7-69.9166.9000112.4F90 F94 F95 V144 M151 I152 I179 T185 I187F90-L148 HydrophobicContact CB-CD2 3.96Å; F90-L148 HydrophobicContact CD2-CD1 4.37Å; F90-L148 HydrophobicContact CD2-CD2 3.47Å; F90-L148 VanDerWaalsContact CD2-CD2 3.47Å; F90-L148 HydrophobicContact CD2-CG 3.73Å; F90-L148 HydrophobicContact CE2-CD1 4.4Å; F90-L148 HydrophobicContact CE2-CD2 4.27Å; F90-L148 HydrophobicContact CE2-CG 4.07Å; F90-L148 HydrophobicContact CG-CD2 3.96Å; F94-L148 HydrophobicContact CD2-CD2 3.83Å; F94-L148 HydrophobicContact CE2-CD2 4.24Å; F95-L148 HydrophobicContact CE2-CD2 4.07Å; V144-L148 HydrophobicContact CG1-CD1 3.82Å; V144-L148 WeakPolarHBondContact O-CB 3.42Å; V144-L148 WeakPolarHBondContact O-CG 3.49Å; V144-L148 PolarHBondContact O-N 3.49Å; L148-M151 PolarHBondContact O-N 2.66Å; L148-I152 VanDerWaalsContact O-CG1 3.3Å; L148-I152 WeakPolarHBondContact O-CG1 3.37Å; L148-I152 PolarHBondContact O-N 2.9Å; L148-I152 VanDerWaalsContact O-N 3.07Å; L148-I179 HydrophobicContact CD1-CG2 4.11Å; L148-I179 HydrophobicContact CD2-CG2 4.39Å; L148-T185 HydrophobicContact CD1-CG2 3.86Å; L148-I187 HydrophobicContact CB-CD1 3.52Å; L148-I187 HydrophobicContact CB-CG1 4.1Å; L148-I187 HydrophobicContact CD1-CD1 4.04Å; L148-I187 HydrophobicContact CG-CD1 4.38Å
149H95.8Very high91.4Very high8 Ų822.4 Ų22.44%0.03712%0.117CC..Hα-helixtrans-58.6-50.7172-174.5110.5000111.9E145 T146 L147 M151 I152 H153 H168 F172 I187 T188 I189 H191E145-H149 WeakPolarHBondContact O-CB 3.3Å; E145-H149 PolarHBondContact O-N 2.81Å; T146-H149 WeakPolarHBondContact O-CB 3.48Å; T146-H149 PolarHBondContact O-N 3.37Å; L147-H149 VanDerWaalsContact C-N 3.31Å; L147-H149 PolarHBondContact O-N 3.36Å; H149-M151 VanDerWaalsContact C-N 3.33Å; H149-M151 PolarHBondContact O-N 2.91Å; H149-I152 PolarHBondContact O-N 3.46Å; H149-H153 AromaticContact CD2-CD2 3.58Å; H149-H153 AromaticContact CD2-NE2 3.26Å; H149-H153 PolarHBondContact CD2-NE2 3.4Å; H149-H153 VanDerWaalsContact CD2-NE2 3.26Å; H149-H153 AromaticContact NE2-CD2 3.81Å; H149-H153 AromaticContact NE2-CE1 3.97Å; H149-H153 AromaticContact NE2-NE2 3Å; H149-H153 PolarHBondContact NE2-NE2 2.92Å; H149-H153 PolarHBondContact O-N 3.42Å; H149-H168 AromaticContact CE1-CD2 3.72Å; H149-H168 AromaticContact CE1-NE2 3.12Å; H149-H168 PolarHBondContact CE1-NE2 2.65Å; H149-H168 AromaticContact NE2-CD2 3.85Å; H149-H168 AromaticContact NE2-CE1 3.97Å; H149-H168 AromaticContact NE2-NE2 2.97Å; H149-H168 PolarHBondContact NE2-NE2 2.86Å; H149-F172 AromaticContact CE1-CZ 3.63Å; H149-F172 AromaticContact CG-CZ 3.84Å; H149-F172 AromaticContact ND1-CZ 3.55Å; H149-F172 AromaticContact NE2-CZ 3.96Å; H149-I187 HydrophobicContact CB-CG2 4.07Å; H149-T188 PolarHBondContact CE1-O 3.32Å; H149-T188 VanDerWaalsContact CE1-O 3.26Å; H149-T188 PolarHBondContact ND1-O 2.77Å; H149-I189 PolarHBondContact CE1-O 2.78Å; H149-H191 VanDerWaalsContact CB-NE2 3.27Å; H149-H191 WeakPolarHBondContact CB-NE2 3.3Å; H149-H191 AromaticContact CD2-NE2 3.94Å; H149-H191 AromaticContact CE1-NE2 3.86Å; H149-H191 AromaticContact CG-NE2 3.2Å; H149-H191 AromaticContact ND1-CD2 3.74Å; H149-H191 AromaticContact ND1-NE2 3.14Å; H149-H191 PolarHBondContact ND1-NE2 3.35Å; H149-H191 VanDerWaalsContact ND1-NE2 3.14Å
150E95.1Very high90.6Very high13 Ų1323.6 Ų23.66%0.06112%0.118CC..Hα-helixtrans-69.8-28.5179.4-58.5-56.6157.900113G115 V116 C117 I128 L130 T146 L147 H153 A154G115-E150 VanDerWaalsContact CA-OE1 3.26Å; G115-E150 WeakPolarHBondContact CA-OE1 3.15Å; V116-E150 VanDerWaalsContact C-OE2 3.29Å; V116-E150 WeakPolarHBondContact CA-OE2 3.36Å; V116-E150 PolarHBondContact N-OE1 3.48Å; C117-E150 WeakPolarHBondContact CB-OE2 3.44Å; C117-E150 PolarHBondContact N-OE2 2.85Å; I128-E150 HydrophobicContact CB-CB 4.4Å; I128-E150 HydrophobicContact CD1-CB 4.19Å; I128-E150 HydrophobicContact CG1-CB 4.07Å; I128-E150 HydrophobicContact CG2-CB 3.56Å; I128-E150 HydrophobicContact CG2-CG 4.15Å; L130-E150 HydrophobicContact CD2-CG 4.13Å; T146-E150 PolarHBondContact O-N 2.95Å; T146-E150 VanDerWaalsContact O-N 3.15Å; L147-E150 PolarHBondContact O-N 3.23Å; E150-H153 PolarHBondContact O-N 3.22Å; E150-H153 IonicContact OE2-CD2 3.14Å; E150-H153 PolarHBondContact OE2-CD2 3.41Å; E150-A154 WeakPolarHBondContact O-CB 3.13Å; E150-A154 PolarHBondContact O-N 3.44Å
151M95.9Very high89.4Confident0 Ų026.7 Ų26.70%014%0.136CC..Hα-helixtrans-69.3-30.7172.8-69.9175.179.100112.6F87 F90 N91 F95 L99 I128 L147 L148 H149 A154 L155F87-M151 HydrophobicContact CD2-CE 3.69Å; F87-M151 HydrophobicContact CD2-CG 4.07Å; F87-M151 HydrophobicContact CD2-SD 3.84Å; F87-M151 HydrophobicContact CE2-CE 3.8Å; F87-M151 HydrophobicContact CE2-CG 4.12Å; F87-M151 HydrophobicContact CE2-SD 4.31Å; F87-M151 HydrophobicContact CG-CE 4.36Å; F87-M151 WeakPolarHBondContact O-CE 3.48Å; F90-M151 HydrophobicContact CB-CE 3.8Å; F90-M151 HydrophobicContact CB-SD 3.96Å; F90-M151 HydrophobicContact CD2-SD 4.25Å; N91-M151 HydrophobicContact CB-CE 3.94Å; F95-M151 HydrophobicContact CD2-CB 4.37Å; F95-M151 HydrophobicContact CD2-CE 3.78Å; F95-M151 HydrophobicContact CE1-CB 4.13Å; F95-M151 WeakPolarHBondContact CE1-O 3.35Å; F95-M151 HydrophobicContact CE2-CB 3.63Å; F95-M151 HydrophobicContact CE2-CE 3.86Å; F95-M151 HydrophobicContact CE2-SD 4.26Å; F95-M151 HydrophobicContact CZ-CB 3.48Å; F95-M151 VanDerWaalsContact CZ-CB 3.48Å; L99-M151 HydrophobicContact CD1-CB 3.8Å; L99-M151 HydrophobicContact CD1-CE 3.76Å; L99-M151 HydrophobicContact CD1-CG 4.11Å; I128-M151 HydrophobicContact CD1-CB 4.34Å; I128-M151 HydrophobicContact CD1-CG 3.61Å; L147-M151 HydrophobicContact CD1-CG 4.11Å; L147-M151 HydrophobicContact CD1-SD 3.9Å; L147-M151 HydrophobicContact CD2-SD 4.48Å; L147-M151 HydrophobicContact CG-CG 4.46Å; L147-M151 HydrophobicContact CG-SD 3.79Å; L147-M151 VanDerWaalsContact O-CG 3.27Å; L147-M151 WeakPolarHBondContact O-CG 3.26Å; L147-M151 PolarHBondContact O-N 2.98Å; L148-M151 PolarHBondContact O-N 2.66Å; H149-M151 VanDerWaalsContact C-N 3.33Å; H149-M151 PolarHBondContact O-N 2.91Å; M151-A154 PolarHBondContact O-N 3Å; M151-L155 PolarHBondContact O-N 3.11Å
152I94.6Very high88Confident0 Ų025.3 Ų25.30%013%0.132CC..Hα-helixtrans-66-45.7170.6-63160.4000110.3F95 L148 H149 A154 L155 L156 F172 H175 M176 I179 I187F95-I152 HydrophobicContact CE1-CG1 4.06Å; F95-I152 HydrophobicContact CZ-CG1 4.04Å; L148-I152 VanDerWaalsContact O-CG1 3.3Å; L148-I152 WeakPolarHBondContact O-CG1 3.37Å; L148-I152 PolarHBondContact O-N 2.9Å; L148-I152 VanDerWaalsContact O-N 3.07Å; H149-I152 PolarHBondContact O-N 3.46Å; I152-A154 VanDerWaalsContact C-N 3.33Å; I152-A154 PolarHBondContact O-N 2.86Å; I152-L155 PolarHBondContact O-N 2.83Å; I152-L156 HydrophobicContact CG2-CD1 4.2Å; I152-L156 WeakPolarHBondContact O-CG 3.15Å; I152-L156 PolarHBondContact O-N 2.67Å; I152-L156 VanDerWaalsContact O-N 3.09Å; I152-F172 HydrophobicContact CB-CD2 4.04Å; I152-F172 HydrophobicContact CB-CE2 3.7Å; I152-F172 HydrophobicContact CB-CZ 4.21Å; I152-F172 HydrophobicContact CD1-CE1 4.47Å; I152-F172 HydrophobicContact CD1-CE2 4.48Å; I152-F172 HydrophobicContact CD1-CZ 4.14Å; I152-F172 HydrophobicContact CG2-CB 4.33Å; I152-F172 HydrophobicContact CG2-CD1 4.5Å; I152-F172 HydrophobicContact CG2-CD2 3.36Å; I152-F172 HydrophobicContact CG2-CE2 3.57Å; I152-F172 HydrophobicContact CG2-CG 3.84Å; I152-F172 HydrophobicContact CG2-CZ 4.21Å; I152-H175 HydrophobicContact CG1-CB 4.13Å; I152-H175 HydrophobicContact CG2-CB 3.86Å; I152-M176 HydrophobicContact CD1-CB 4.05Å; I152-I179 HydrophobicContact CD1-CD1 4.25Å; I152-I179 HydrophobicContact CG1-CD1 4.1Å; I152-I187 HydrophobicContact CD1-CG2 4.47Å
153H92.4Very high86.5Confident20 Ų2033.1 Ų33.19%0.09316%0.16CC..Hα-helixtrans-56.4-47.6173.1-69.3-49.6000111.6C117 H149 E150 L155 L156 F157 G167 H168 F172C117-H153 HydrophobicContact CB-CB 3.7Å; H149-H153 AromaticContact CD2-CD2 3.58Å; H149-H153 AromaticContact CD2-NE2 3.26Å; H149-H153 PolarHBondContact CD2-NE2 3.4Å; H149-H153 VanDerWaalsContact CD2-NE2 3.26Å; H149-H153 AromaticContact NE2-CD2 3.81Å; H149-H153 AromaticContact NE2-CE1 3.97Å; H149-H153 AromaticContact NE2-NE2 3Å; H149-H153 PolarHBondContact NE2-NE2 2.92Å; H149-H153 PolarHBondContact O-N 3.42Å; E150-H153 PolarHBondContact O-N 3.22Å; E150-H153 IonicContact OE2-CD2 3.14Å; E150-H153 PolarHBondContact OE2-CD2 3.41Å; H153-L155 VanDerWaalsContact C-N 3.32Å; H153-L155 PolarHBondContact O-N 2.89Å; H153-L156 PolarHBondContact O-N 3.03Å; H153-L156 VanDerWaalsContact O-N 3.16Å; H153-F157 HydrophobicContact CB-CD2 4.45Å; H153-F157 HydrophobicContact CB-CE2 3.98Å; H153-F157 WeakPolarHBondContact O-CD2 3.35Å; H153-F157 WeakPolarHBondContact O-CG 3.44Å; H153-F157 PolarHBondContact O-N 3.32Å; H153-G167 PolarHBondContact CE1-O 2.61Å; H153-G167 VanDerWaalsContact CE1-O 3.25Å; H153-G167 PolarHBondContact ND1-O 3.36Å; H153-H168 AromaticContact CE1-CD2 3.62Å; H153-H168 AromaticContact CE1-NE2 3.39Å; H153-H168 PolarHBondContact CE1-NE2 3.43Å; H153-H168 AromaticContact NE2-CD2 4Å; H153-H168 AromaticContact NE2-NE2 3.4Å; H153-H168 PolarHBondContact NE2-NE2 3.07Å; H153-F172 AromaticContact CE1-CD2 3.57Å; H153-F172 AromaticContact CE1-CE2 3.34Å; H153-F172 WeakPolarHBondContact CE1-CE2 3.45Å; H153-F172 AromaticContact ND1-CD2 3.7Å; H153-F172 AromaticContact ND1-CE2 3.68Å; H153-F172 AromaticContact NE2-CE2 3.61Å
154A92Very high84.7Confident0 Ų038.6 Ų38.60%019%0.189CC..Hα-helixtrans-58.4-41.6178.400000112.4L99 V102 I128 E150 M151 I152 F157 V158L99-A154 HydrophobicContact CD2-CB 4.13Å; V102-A154 HydrophobicContact CG1-CB 4.12Å; V102-A154 HydrophobicContact CG2-CB 4.28Å; I128-A154 HydrophobicContact CD1-CB 4.02Å; I128-A154 HydrophobicContact CG1-CB 4.31Å; E150-A154 WeakPolarHBondContact O-CB 3.13Å; E150-A154 PolarHBondContact O-N 3.44Å; M151-A154 PolarHBondContact O-N 3Å; I152-A154 VanDerWaalsContact C-N 3.33Å; I152-A154 PolarHBondContact O-N 2.86Å; A154-F157 PolarHBondContact O-N 3.23Å; A154-V158 WeakPolarHBondContact O-CB 3.07Å; A154-V158 VanDerWaalsContact O-CG2 3.25Å; A154-V158 WeakPolarHBondContact O-CG2 3.35Å; A154-V158 PolarHBondContact O-N 3.49Å
155L92.1Very high82.7Confident3 Ų350.7 Ų50.72%0.01624%0.235CC..Hα-helixtrans-61.6-45.3175.4-173.875.8000111.8F95 W96 K98 L99 M151 I152 H153 V158 T159 H175F95-L155 HydrophobicContact CD1-CB 3.95Å; F95-L155 HydrophobicContact CD1-CD1 4.2Å; F95-L155 HydrophobicContact CD1-CD2 3.97Å; F95-L155 HydrophobicContact CD1-CG 4.25Å; F95-L155 HydrophobicContact CE1-CB 4.24Å; F95-L155 HydrophobicContact CE1-CD2 4.41Å; W96-L155 HydrophobicContact CZ3-CD2 4.47Å; K98-L155 HydrophobicContact CB-CD1 4.04Å; K98-L155 HydrophobicContact CD-CD1 4.25Å; L99-L155 HydrophobicContact CD2-CB 4.09Å; L99-L155 HydrophobicContact CD2-CD1 4.18Å; M151-L155 PolarHBondContact O-N 3.11Å; I152-L155 PolarHBondContact O-N 2.83Å; H153-L155 VanDerWaalsContact C-N 3.32Å; H153-L155 PolarHBondContact O-N 2.89Å; L155-V158 PolarHBondContact O-N 3.09Å; L155-T159 HydrophobicContact CD1-CG2 3.72Å; L155-T159 HydrophobicContact CG-CG2 4.24Å; L155-T159 WeakPolarHBondContact O-CB 3.41Å; L155-T159 PolarHBondContact O-N 2.73Å; L155-T159 PolarHBondContact O-OG1 2.99Å; L155-H175 WeakPolarHBondContact CD2-CE1 3.23Å
156L89.6Confident80.9Confident14 Ų1454.5 Ų54.57%0.07326%0.256CS..Hα-helixtrans-67.9-37.2-178.1-62.2174.5000111.9I152 H153 Q160 N161 N162 E171 F172I152-L156 HydrophobicContact CG2-CD1 4.2Å; I152-L156 WeakPolarHBondContact O-CG 3.15Å; I152-L156 PolarHBondContact O-N 2.67Å; I152-L156 VanDerWaalsContact O-N 3.09Å; H153-L156 PolarHBondContact O-N 3.03Å; H153-L156 VanDerWaalsContact O-N 3.16Å; L156-Q160 WeakPolarHBondContact O-CB 3.46Å; L156-Q160 PolarHBondContact O-N 3.47Å; L156-Q160 VanDerWaalsContact O-N 3.13Å; L156-N161 PolarHBondContact O-N 3.12Å; L156-N162 PolarHBondContact O-N 2.77Å; L156-E171 HydrophobicContact CD2-CB 3.61Å; L156-F172 HydrophobicContact CD1-CB 3.86Å; L156-F172 HydrophobicContact CD1-CD2 4.21Å
157F85.2Confident79.7Confident57 Ų5755.9 Ų55.925%0.2527%0.271CS..Hα-helixtrans-64-50.8171.9-64.1-43.1000111.7C117 Y119 H153 A154 N161 N162C117-F157 HydrophobicContact CB-CE2 4.07Å; Y119-F157 HydrophobicContact CD2-CB 4.11Å; Y119-F157 HydrophobicContact CG-CB 4.4Å; H153-F157 HydrophobicContact CB-CD2 4.45Å; H153-F157 HydrophobicContact CB-CE2 3.98Å; H153-F157 WeakPolarHBondContact O-CD2 3.35Å; H153-F157 WeakPolarHBondContact O-CG 3.44Å; H153-F157 PolarHBondContact O-N 3.32Å; A154-F157 PolarHBondContact O-N 3.23Å; F157-N161 WeakPolarHBondContact O-CA 3.41Å; F157-N161 PolarHBondContact O-N 3.05Å; F157-N162 WeakPolarHBondContact CD1-O 3.27Å
158V84.1Confident79.3Confident68 Ų6857.7 Ų57.741%0.41228%0.279SS..Hα-helixtrans-68-42.2-175.8170.10000112.6V102 C126 A154 L155V102-V158 HydrophobicContact CG2-CG2 4.29Å; C126-V158 HydrophobicContact CB-CG2 4.28Å; A154-V158 WeakPolarHBondContact O-CB 3.07Å; A154-V158 VanDerWaalsContact O-CG2 3.25Å; A154-V158 WeakPolarHBondContact O-CG2 3.35Å; A154-V158 PolarHBondContact O-N 3.49Å; L155-V158 PolarHBondContact O-N 3.09Å
159T80Confident78.8Confident64 Ų6458.6 Ų58.639%0.39329%0.289SS..Hα-helixtrans-98-23.6-169.463.70000114.9K98 L155K98-T159 HydrophobicContact CD-CG2 4.1Å; L155-T159 HydrophobicContact CD1-CG2 3.72Å; L155-T159 HydrophobicContact CG-CG2 4.24Å; L155-T159 WeakPolarHBondContact O-CB 3.41Å; L155-T159 PolarHBondContact O-N 2.73Å; L155-T159 PolarHBondContact O-OG1 2.99Å
160Q69.4Low78.5Confident72 Ų7263 Ų6334%0.33632%0.318SS..Hα-helixtrans-119.3-8.3-176-60.1177.3-4.900112.9L156 N162L156-Q160 WeakPolarHBondContact O-CB 3.46Å; L156-Q160 PolarHBondContact O-N 3.47Å; L156-Q160 VanDerWaalsContact O-N 3.13Å; Q160-N162 HydrophobicContact CB-CB 4.13Å; Q160-N162 PolarHBondContact O-N 3.02Å; Q160-N162 VanDerWaalsContact O-N 3.14Å; Q160-N162 PolarHBondContact OE1-ND2 3.21Å
161N64.9Low78.2Confident84 Ų8465.1 Ų65.145%0.44933%0.328SS..  trans48.137.2-170.1168.861.6000110.7L156 F157 R163L156-N161 PolarHBondContact O-N 3.12Å; F157-N161 WeakPolarHBondContact O-CA 3.41Å; F157-N161 PolarHBondContact O-N 3.05Å; N161-R163 PolarHBondContact O-N 3.06Å; N161-R163 VanDerWaalsContact O-N 3.15Å; N161-R163 PolarHBondContact OD1-NE 3.11Å; N161-R163 PolarHBondContact OD1-NH2 3.46Å
162N61.4Low78.1Confident58 Ų5865.2 Ų65.231%0.3133%0.328SS..  trans-74.7110-172.7-117.5-29.5000109.3L156 F157 Q160L156-N162 PolarHBondContact O-N 2.77Å; F157-N162 WeakPolarHBondContact CD1-O 3.27Å; Q160-N162 HydrophobicContact CB-CB 4.13Å; Q160-N162 PolarHBondContact O-N 3.02Å; Q160-N162 VanDerWaalsContact O-N 3.14Å; Q160-N162 PolarHBondContact OE1-ND2 3.21Å
163R57.8Low78Confident191 Ų19166.9 Ų66.972%0.72134%0.339SS*.  trans-101.74.7-175.5-67.1175.5-168.3-167.11.4113.2N161 R165N161-R163 PolarHBondContact O-N 3.06Å; N161-R163 VanDerWaalsContact O-N 3.15Å; N161-R163 PolarHBondContact OD1-NE 3.11Å; N161-R163 PolarHBondContact OD1-NH2 3.46Å; R163-R165 PolarHBondContact O-N 3.21Å
164D53.7Low78.1Confident127 Ų12771.9 Ų71.968%0.67936%0.361SS*.  trans-62.1136178.6-78.4-26.1000110.6D166D164-D166 PolarHBondContact O-N 3.06Å
165R51.9Low78.2Confident254 Ų25473.1 Ų73.196%0.95837%0.367SS*.SBendtrans-75.3-13.8-174.9-77.3177.5159.9179.2-6113.5R163 G167R163-R165 PolarHBondContact O-N 3.21Å; R165-G167 PolarHBondContact O-N 2.91Å
166D55.4Low78.4Confident111 Ų11173.8 Ų73.859%0.59437%0.37SS*.  trans-8786.4168.9-172.315.7000108.5D164 H168 G169D164-D166 PolarHBondContact O-N 3.06Å; D166-H168 PolarHBondContact O-N 2.75Å; D166-G169 PolarHBondContact O-N 3Å
167G69.6Low78.7Confident29 Ų2977.7 Ų77.730%0.29939%0.391SS..THydrogen-bonded Turntrans-62.3-7.8-173.500000114.5H153 R165 F172H153-G167 PolarHBondContact CE1-O 2.61Å; H153-G167 VanDerWaalsContact CE1-O 3.25Å; H153-G167 PolarHBondContact ND1-O 3.36Å; R165-G167 PolarHBondContact O-N 2.91Å; G167-F172 WeakPolarHBondContact O-CD2 3.26Å
168H86.9Confident79.2Confident38 Ų3878.7 Ų78.718%0.17639%0.393CS..THydrogen-bonded Turntrans-117.723.8-171.2-55.8111.1000113.7H149 H153 D166 F172 C173 I189H149-H168 AromaticContact CE1-CD2 3.72Å; H149-H168 AromaticContact CE1-NE2 3.12Å; H149-H168 PolarHBondContact CE1-NE2 2.65Å; H149-H168 AromaticContact NE2-CD2 3.85Å; H149-H168 AromaticContact NE2-CE1 3.97Å; H149-H168 AromaticContact NE2-NE2 2.97Å; H149-H168 PolarHBondContact NE2-NE2 2.86Å; H153-H168 AromaticContact CE1-CD2 3.62Å; H153-H168 AromaticContact CE1-NE2 3.39Å; H153-H168 PolarHBondContact CE1-NE2 3.43Å; H153-H168 AromaticContact NE2-CD2 4Å; H153-H168 AromaticContact NE2-NE2 3.4Å; H153-H168 PolarHBondContact NE2-NE2 3.07Å; D166-H168 PolarHBondContact O-N 2.75Å; H168-F172 HydrophobicContact CB-CD1 4.4Å; H168-F172 HydrophobicContact CB-CG 4.47Å; H168-F172 AromaticContact CD2-CD1 3.89Å; H168-F172 AromaticContact CD2-CD2 3.92Å; H168-F172 AromaticContact CD2-CE1 3.76Å; H168-F172 AromaticContact CD2-CE2 3.79Å; H168-F172 AromaticContact CD2-CZ 3.73Å; H168-C173 PolarHBondContact O-SG 3.28Å; H168-C173 VanDerWaalsContact O-SG 3.41Å; H168-I189 HydrophobicContact CB-CB 4.44Å; H168-I189 HydrophobicContact CB-CG1 4.22Å; H168-I189 HydrophobicContact CB-CG2 3.61Å; H168-I189 PolarHBondContact NE2-O 2.75Å
169G86.8Confident79.8Confident20 Ų2075.5 Ų75.521%0.20637%0.374CS..SBendtrans-59.3-175.717800000115.5D166 E171 F172 C173D166-G169 PolarHBondContact O-N 3Å; G169-E171 VanDerWaalsContact C-N 3.28Å; G169-E171 PolarHBondContact O-N 3.35Å; G169-E171 VanDerWaalsContact O-N 3.08Å; G169-F172 WeakPolarHBondContact O-CB 3.37Å; G169-F172 PolarHBondContact O-N 3.15Å; G169-C173 PolarHBondContact O-N 3.49Å; G169-C173 VanDerWaalsContact O-N 3.11Å
170P89.8Confident80.5Confident101 Ų10173.9 Ų73.966%0.65636%0.362SS*.Hα-helixtrans-54.5-35.7-170.2-29.536.5000115.3C173 K174P170-C173 PolarHBondContact O-N 3.05Å; P170-K174 WeakPolarHBondContact O-CG 3.28Å; P170-K174 PolarHBondContact O-N 3.04Å
171E89.7Confident81.7Confident57 Ų5779.9 Ų79.927%0.26639%0.387SS..Hα-helixtrans-69.1-40177.4-57.7-49.311400112.6L156 G169 C173 K174 H175L156-E171 HydrophobicContact CD2-CB 3.61Å; G169-E171 VanDerWaalsContact C-N 3.28Å; G169-E171 PolarHBondContact O-N 3.35Å; G169-E171 VanDerWaalsContact O-N 3.08Å; E171-C173 VanDerWaalsContact C-N 3.33Å; E171-C173 PolarHBondContact O-N 2.74Å; E171-K174 PolarHBondContact O-N 2.74Å; E171-K174 WeakPolarHBondContact OE1-CE 3.36Å; E171-K174 IonicContact OE1-NZ 2.86Å; E171-K174 PolarHBondContact OE1-NZ 3.19Å; E171-K174 IonicContact OE2-NZ 2.83Å; E171-K174 PolarHBondContact OE2-NZ 3.37Å; E171-H175 PolarHBondContact O-CD2 3.24Å; E171-H175 VanDerWaalsContact O-CD2 3.3Å; E171-H175 PolarHBondContact O-N 2.75Å; E171-H175 VanDerWaalsContact O-N 3.1Å
172F92.3Very high83Confident1 Ų179.4 Ų79.40%0.00440%0.395CS..Hα-helixtrans-58-49.4171.7-173.1-77.1000110H149 I152 H153 L156 G167 H168 G169 K174 H175 M176H149-F172 AromaticContact CE1-CZ 3.63Å; H149-F172 AromaticContact CG-CZ 3.84Å; H149-F172 AromaticContact ND1-CZ 3.55Å; H149-F172 AromaticContact NE2-CZ 3.96Å; I152-F172 HydrophobicContact CB-CD2 4.04Å; I152-F172 HydrophobicContact CB-CE2 3.7Å; I152-F172 HydrophobicContact CB-CZ 4.21Å; I152-F172 HydrophobicContact CD1-CE1 4.47Å; I152-F172 HydrophobicContact CD1-CE2 4.48Å; I152-F172 HydrophobicContact CD1-CZ 4.14Å; I152-F172 HydrophobicContact CG2-CB 4.33Å; I152-F172 HydrophobicContact CG2-CD1 4.5Å; I152-F172 HydrophobicContact CG2-CD2 3.36Å; I152-F172 HydrophobicContact CG2-CE2 3.57Å; I152-F172 HydrophobicContact CG2-CG 3.84Å; I152-F172 HydrophobicContact CG2-CZ 4.21Å; H153-F172 AromaticContact CE1-CD2 3.57Å; H153-F172 AromaticContact CE1-CE2 3.34Å; H153-F172 WeakPolarHBondContact CE1-CE2 3.45Å; H153-F172 AromaticContact ND1-CD2 3.7Å; H153-F172 AromaticContact ND1-CE2 3.68Å; H153-F172 AromaticContact NE2-CE2 3.61Å; L156-F172 HydrophobicContact CD1-CB 3.86Å; L156-F172 HydrophobicContact CD1-CD2 4.21Å; G167-F172 WeakPolarHBondContact O-CD2 3.26Å; H168-F172 HydrophobicContact CB-CD1 4.4Å; H168-F172 HydrophobicContact CB-CG 4.47Å; H168-F172 AromaticContact CD2-CD1 3.89Å; H168-F172 AromaticContact CD2-CD2 3.92Å; H168-F172 AromaticContact CD2-CE1 3.76Å; H168-F172 AromaticContact CD2-CE2 3.79Å; H168-F172 AromaticContact CD2-CZ 3.73Å; G169-F172 WeakPolarHBondContact O-CB 3.37Å; G169-F172 PolarHBondContact O-N 3.15Å; F172-K174 VanDerWaalsContact C-N 3.31Å; F172-K174 PolarHBondContact O-N 3.35Å; F172-H175 PolarHBondContact O-N 3.44Å; F172-M176 HydrophobicContact CD1-CB 4.24Å; F172-M176 HydrophobicContact CD1-SD 4.37Å; F172-M176 HydrophobicContact CE1-CB 4.05Å; F172-M176 HydrophobicContact CE1-CG 4.3Å; F172-M176 HydrophobicContact CE1-SD 3.88Å; F172-M176 VanDerWaalsContact O-CB 3.26Å; F172-M176 WeakPolarHBondContact O-CB 3.27Å; F172-M176 PolarHBondContact O-N 3.07Å
173C92.9Very high84.4Confident35 Ų3577.5 Ų77.524%0.23639%0.386CS..Hα-helixtrans-57.8-39.4178.2-69.90000112.8H168 G169 P170 E171 N177H168-C173 PolarHBondContact O-SG 3.28Å; H168-C173 VanDerWaalsContact O-SG 3.41Å; G169-C173 PolarHBondContact O-N 3.49Å; G169-C173 VanDerWaalsContact O-N 3.11Å; P170-C173 PolarHBondContact O-N 3.05Å; E171-C173 VanDerWaalsContact C-N 3.33Å; E171-C173 PolarHBondContact O-N 2.74Å; C173-N177 VanDerWaalsContact O-CB 3.3Å; C173-N177 WeakPolarHBondContact O-CB 3.46Å; C173-N177 PolarHBondContact O-N 3Å; C173-N177 PolarHBondContact O-ND2 3.05Å; C173-N177 VanDerWaalsContact O-ND2 3.13Å
174K93.7Very high85.9Confident125 Ų12570.5 Ų70.554%0.54337%0.374SS..Hα-helixtrans-62-50.1174.8-73.3169.6-174.8173.50111.9P170 E171 F172 R178P170-K174 WeakPolarHBondContact O-CG 3.28Å; P170-K174 PolarHBondContact O-N 3.04Å; E171-K174 PolarHBondContact O-N 2.74Å; E171-K174 WeakPolarHBondContact OE1-CE 3.36Å; E171-K174 IonicContact OE1-NZ 2.86Å; E171-K174 PolarHBondContact OE1-NZ 3.19Å; E171-K174 IonicContact OE2-NZ 2.83Å; E171-K174 PolarHBondContact OE2-NZ 3.37Å; F172-K174 VanDerWaalsContact C-N 3.31Å; F172-K174 PolarHBondContact O-N 3.35Å; K174-R178 WeakPolarHBondContact O-CB 3.41Å; K174-R178 PolarHBondContact O-N 2.96Å
175H95.1Very high87.7Confident27 Ų2764.7 Ų64.713%0.12534%0.343CS..Hα-helixtrans-67.7-41.1-179-76.5-79.9000112.2I152 L155 E171 F172 R178 I179I152-H175 HydrophobicContact CG1-CB 4.13Å; I152-H175 HydrophobicContact CG2-CB 3.86Å; L155-H175 WeakPolarHBondContact CD2-CE1 3.23Å; E171-H175 PolarHBondContact O-CD2 3.24Å; E171-H175 VanDerWaalsContact O-CD2 3.3Å; E171-H175 PolarHBondContact O-N 2.75Å; E171-H175 VanDerWaalsContact O-N 3.1Å; F172-H175 PolarHBondContact O-N 3.44Å; H175-R178 PolarHBondContact ND1-NH2 3.05Å; H175-R178 PolarHBondContact O-N 3.31Å; H175-I179 VanDerWaalsContact O-CG1 3.32Å; H175-I179 WeakPolarHBondContact O-CG1 3.34Å; H175-I179 PolarHBondContact O-N 2.95Å
176M95.3Very high89.7Confident17 Ų1760.1 Ų60.18%0.08433%0.33CS..Hα-helixtrans-56.5-54.1174-178.1-174.574.400111.7I152 F172 R178 I179 N180 I187 I189I152-M176 HydrophobicContact CD1-CB 4.05Å; F172-M176 HydrophobicContact CD1-CB 4.24Å; F172-M176 HydrophobicContact CD1-SD 4.37Å; F172-M176 HydrophobicContact CE1-CB 4.05Å; F172-M176 HydrophobicContact CE1-CG 4.3Å; F172-M176 HydrophobicContact CE1-SD 3.88Å; F172-M176 VanDerWaalsContact O-CB 3.26Å; F172-M176 WeakPolarHBondContact O-CB 3.27Å; F172-M176 PolarHBondContact O-N 3.07Å; M176-R178 VanDerWaalsContact C-N 3.33Å; M176-R178 PolarHBondContact O-N 3.12Å; M176-I179 PolarHBondContact O-N 3.28Å; M176-N180 WeakPolarHBondContact O-CB 3.47Å; M176-N180 VanDerWaalsContact O-CG 3.29Å; M176-N180 PolarHBondContact O-N 3.01Å; M176-I187 HydrophobicContact CG-CB 4.01Å; M176-I187 HydrophobicContact CG-CG2 3.94Å; M176-I187 WeakPolarHBondContact CG-O 3.48Å; M176-I187 VanDerWaalsContact SD-O 3.39Å; M176-I189 HydrophobicContact CE-CG1 4.25Å; M176-I189 HydrophobicContact SD-CG1 4.07Å
177N96.4Very high91.5Very high95 Ų9555 Ų5551%0.50830%0.303SS..Hα-helixtrans-64.7-35.8-178.8-71.7-26.6000112.6C173 K181C173-N177 VanDerWaalsContact O-CB 3.3Å; C173-N177 WeakPolarHBondContact O-CB 3.46Å; C173-N177 PolarHBondContact O-N 3Å; C173-N177 PolarHBondContact O-ND2 3.05Å; C173-N177 VanDerWaalsContact O-ND2 3.13Å; N177-K181 VanDerWaalsContact O-CB 3.32Å; N177-K181 WeakPolarHBondContact O-CB 3.3Å; N177-K181 PolarHBondContact O-N 2.97Å
178R96.9Very high92.5Very high78 Ų7856.7 Ų56.729%0.29431%0.307SS..Hα-helixtrans-62.8-48.1174.1177.4-167.361.7116.24.5111.7F94 W96 K174 H175 M176 K181 A182F94-R178 VanDerWaalsContact O-CZ 3.23Å; F94-R178 PolarHBondContact O-NH1 3.37Å; F94-R178 PolarHBondContact O-NH2 3.43Å; W96-R178 VanDerWaalsContact CH2-NH1 3.27Å; W96-R178 VanDerWaalsContact CZ2-NH1 3.31Å; K174-R178 WeakPolarHBondContact O-CB 3.41Å; K174-R178 PolarHBondContact O-N 2.96Å; H175-R178 PolarHBondContact ND1-NH2 3.05Å; H175-R178 PolarHBondContact O-N 3.31Å; M176-R178 VanDerWaalsContact C-N 3.33Å; M176-R178 PolarHBondContact O-N 3.12Å; R178-K181 PolarHBondContact O-N 3.16Å; R178-A182 WeakPolarHBondContact O-CB 3.32Å; R178-A182 PolarHBondContact O-N 2.87Å
179I96.2Very high92.6Very high1 Ų157.2 Ų57.21%0.00531%0.311CS..Hα-helixtrans-68.7-44.5-177.6-66.1169.5000110.5F94 F95 L148 I152 H175 M176 K181 A182 S183 I187F94-I179 HydrophobicContact CB-CD1 4.06Å; F94-I179 HydrophobicContact CB-CG1 4.08Å; F94-I179 HydrophobicContact CD1-CG1 4.29Å; F94-I179 HydrophobicContact CD1-CG2 4.3Å; F94-I179 HydrophobicContact CE1-CG2 4.48Å; F94-I179 HydrophobicContact CG-CG1 4.26Å; F94-I179 HydrophobicContact CG-CG2 4.34Å; F95-I179 HydrophobicContact CE1-CD1 4.13Å; F95-I179 HydrophobicContact CE2-CD1 4.11Å; F95-I179 HydrophobicContact CZ-CD1 3.56Å; L148-I179 HydrophobicContact CD1-CG2 4.11Å; L148-I179 HydrophobicContact CD2-CG2 4.39Å; I152-I179 HydrophobicContact CD1-CD1 4.25Å; I152-I179 HydrophobicContact CG1-CD1 4.1Å; H175-I179 VanDerWaalsContact O-CG1 3.32Å; H175-I179 WeakPolarHBondContact O-CG1 3.34Å; H175-I179 PolarHBondContact O-N 2.95Å; M176-I179 PolarHBondContact O-N 3.28Å; I179-K181 VanDerWaalsContact C-N 3.32Å; I179-K181 PolarHBondContact O-N 3.09Å; I179-A182 PolarHBondContact O-N 3.41Å; I179-A182 VanDerWaalsContact O-N 3.12Å; I179-S183 WeakPolarHBondContact O-CB 3.32Å; I179-S183 PolarHBondContact O-N 3.2Å; I179-S183 PolarHBondContact O-OG 3.1Å; I179-I187 HydrophobicContact CB-CD1 4.08Å; I179-I187 HydrophobicContact CG2-CD1 3.62Å
180N95.3Very high92.3Very high30 Ų3064.7 Ų64.716%0.1633%0.334CS..Hα-helixtrans-55.8-45173.9-72.3-10.8000112M176 G184 T185 I187M176-N180 WeakPolarHBondContact O-CB 3.47Å; M176-N180 VanDerWaalsContact O-CG 3.29Å; M176-N180 PolarHBondContact O-N 3.01Å; N180-G184 WeakPolarHBondContact O-CA 3.17Å; N180-G184 PolarHBondContact O-N 3.06Å; N180-T185 WeakPolarHBondContact CA-O 3.41Å; N180-T185 WeakPolarHBondContact CA-OG1 3.49Å; N180-T185 WeakPolarHBondContact CB-O 3.37Å; N180-T185 VanDerWaalsContact OD1-C 3.26Å; N180-T185 PolarHBondContact OD1-O 3.4Å; N180-T185 PolarHBondContact OD1-OG1 3.13Å; N180-I187 PolarHBondContact ND2-N 3.3Å; N180-I187 PolarHBondContact ND2-O 3.14Å; N180-I187 VanDerWaalsContact OD1-CB 3.28Å; N180-I187 WeakPolarHBondContact OD1-CB 3.43Å; N180-I187 WeakPolarHBondContact OD1-CD1 3.48Å; N180-I187 VanDerWaalsContact OD1-CG1 3.28Å; N180-I187 WeakPolarHBondContact OD1-CG1 3.43Å; N180-I187 PolarHBondContact OD1-N 3.15Å
181K94.3Very high91.5Very high198 Ų19861.7 Ų61.786%0.86131%0.311SS*.Hα-helixtrans-67.5-33.7176.9-175177.9177.2-174.80113.3N177 R178 I179N177-K181 VanDerWaalsContact O-CB 3.32Å; N177-K181 WeakPolarHBondContact O-CB 3.3Å; N177-K181 PolarHBondContact O-N 2.97Å; R178-K181 PolarHBondContact O-N 3.16Å; I179-K181 VanDerWaalsContact C-N 3.32Å; I179-K181 PolarHBondContact O-N 3.09Å
182A91.5Very high90.4Very high74 Ų7463.3 Ų63.361%0.61233%0.329SS*.Hα-helixtrans-80.8-30.5-176.500000113.8F94 R178 I179F94-A182 HydrophobicContact CE1-CB 4.48Å; R178-A182 WeakPolarHBondContact O-CB 3.32Å; R178-A182 PolarHBondContact O-N 2.87Å; I179-A182 PolarHBondContact O-N 3.41Å; I179-A182 VanDerWaalsContact O-N 3.12Å
183S90.1Very high89.4Confident18 Ų1864 Ų6413%0.12633%0.332CS..Hα-helixtrans-116.4-20.3-169.565.20000115.1S68 I179 T185S68-S183 PolarHBondContact OG-O 3.13Å; I179-S183 WeakPolarHBondContact O-CB 3.32Å; I179-S183 PolarHBondContact O-N 3.2Å; I179-S183 PolarHBondContact O-OG 3.1Å; S183-T185 VanDerWaalsContact OG-CG2 3.27Å; S183-T185 WeakPolarHBondContact OG-CG2 3.33Å; S183-T185 PolarHBondContact OG-N 3.41Å; S183-T185 PolarHBondContact OG-OG1 3.48Å; S183-T185 VanDerWaalsContact OG-OG1 3.05Å
184G89.8Confident88.3Confident44 Ų4468 Ų6845%0.45435%0.347SS..  trans91.2-2.8-171.100000114.8N180N180-G184 WeakPolarHBondContact O-CA 3.17Å; N180-G184 PolarHBondContact O-N 3.06Å
185T92.1Very high87.3Confident5 Ų568.2 Ų68.23%0.03135%0.354CS..  trans-61.1158.317658.50000112.8I69 V70 V144 E145 L148 N180 S183I69-T185 HydrophobicContact CG2-CG2 3.8Å; V70-T185 HydrophobicContact CG1-CG2 3.73Å; V70-T185 HydrophobicContact CG2-CG2 4.09Å; V144-T185 HydrophobicContact CG1-CG2 4.38Å; E145-T185 HydrophobicContact CG-CG2 4.44Å; L148-T185 HydrophobicContact CD1-CG2 3.86Å; N180-T185 WeakPolarHBondContact CA-O 3.41Å; N180-T185 WeakPolarHBondContact CA-OG1 3.49Å; N180-T185 WeakPolarHBondContact CB-O 3.37Å; N180-T185 VanDerWaalsContact OD1-C 3.26Å; N180-T185 PolarHBondContact OD1-O 3.4Å; N180-T185 PolarHBondContact OD1-OG1 3.13Å; S183-T185 VanDerWaalsContact OG-CG2 3.27Å; S183-T185 WeakPolarHBondContact OG-CG2 3.33Å; S183-T185 PolarHBondContact OG-N 3.41Å; S183-T185 PolarHBondContact OG-OG1 3.48Å; S183-T185 VanDerWaalsContact OG-OG1 3.05Å
186K92.9Very high86.6Confident159 Ų15969.5 Ų69.569%0.69136%0.36SS*.  trans-120.542.8175.8-62.8166.4-171.3159.40110.6E145 T188E145-K186 WeakPolarHBondContact OE1-CA 3.5Å; E145-K186 WeakPolarHBondContact OE1-CB 3.43Å; E145-K186 PolarHBondContact OE1-N 3.45Å; K186-T188 PolarHBondContact O-N 2.82Å
187I93.4Very high86Confident3 Ų369 Ų692%0.01536%0.357CS..  trans-50.5129.5172.9-53.8159.7000108.4E145 L148 H149 I152 M176 I179 N180E145-I187 HydrophobicContact CB-CG1 4.41Å; E145-I187 HydrophobicContact CG-CG1 4.38Å; L148-I187 HydrophobicContact CB-CD1 3.52Å; L148-I187 HydrophobicContact CB-CG1 4.1Å; L148-I187 HydrophobicContact CD1-CD1 4.04Å; L148-I187 HydrophobicContact CG-CD1 4.38Å; H149-I187 HydrophobicContact CB-CG2 4.07Å; I152-I187 HydrophobicContact CD1-CG2 4.47Å; M176-I187 HydrophobicContact CG-CB 4.01Å; M176-I187 HydrophobicContact CG-CG2 3.94Å; M176-I187 WeakPolarHBondContact CG-O 3.48Å; M176-I187 VanDerWaalsContact SD-O 3.39Å; I179-I187 HydrophobicContact CB-CD1 4.08Å; I179-I187 HydrophobicContact CG2-CD1 3.62Å; N180-I187 PolarHBondContact ND2-N 3.3Å; N180-I187 PolarHBondContact ND2-O 3.14Å; N180-I187 VanDerWaalsContact OD1-CB 3.28Å; N180-I187 WeakPolarHBondContact OD1-CB 3.43Å; N180-I187 WeakPolarHBondContact OD1-CD1 3.48Å; N180-I187 VanDerWaalsContact OD1-CG1 3.28Å; N180-I187 WeakPolarHBondContact OD1-CG1 3.43Å; N180-I187 PolarHBondContact OD1-N 3.15Å
188T91Very high85.3Confident65 Ų6566.9 Ų66.940%0.39935%0.346SS..  trans-120.7161.8-179.645.40000111.2H149 K186 Y190H149-T188 PolarHBondContact CE1-O 3.32Å; H149-T188 VanDerWaalsContact CE1-O 3.26Å; H149-T188 PolarHBondContact ND1-O 2.77Å; K186-T188 PolarHBondContact O-N 2.82Å; T188-Y190 VanDerWaalsContact C-N 3.31Å; T188-Y190 PolarHBondContact OG1-O 3.32Å
189I88.9Confident84.7Confident48 Ų4868 Ų6825%0.24636%0.361CS..SBendtrans-65.2-34.5171.7-67.6174.3000111.5H149 H168 M176H149-I189 PolarHBondContact CE1-O 2.78Å; H168-I189 HydrophobicContact CB-CB 4.44Å; H168-I189 HydrophobicContact CB-CG1 4.22Å; H168-I189 HydrophobicContact CB-CG2 3.61Å; H168-I189 PolarHBondContact NE2-O 2.75Å; M176-I189 HydrophobicContact CE-CG1 4.25Å; M176-I189 HydrophobicContact SD-CG1 4.07Å
190Y81.7Confident84.1Confident177 Ų17771.8 Ų71.869%0.69438%0.376SS*.SBendtrans-128.8108-177.3-58.4-66.5000110.6T188T188-Y190 VanDerWaalsContact C-N 3.31Å; T188-Y190 PolarHBondContact OG1-O 3.32Å
191H72.9Confident83.8Confident39 Ų3973.9 Ų73.918%0.18138%0.382CS..  trans-72.2143.4174.7-64.7-88.1000112.3H149 F193H149-H191 VanDerWaalsContact CB-NE2 3.27Å; H149-H191 WeakPolarHBondContact CB-NE2 3.3Å; H149-H191 AromaticContact CD2-NE2 3.94Å; H149-H191 AromaticContact CE1-NE2 3.86Å; H149-H191 AromaticContact CG-NE2 3.2Å; H149-H191 AromaticContact ND1-CD2 3.74Å; H149-H191 AromaticContact ND1-NE2 3.14Å; H149-H191 PolarHBondContact ND1-NE2 3.35Å; H149-H191 VanDerWaalsContact ND1-NE2 3.14Å; H191-F193 HydrophobicContact CB-CD2 3.57Å; H191-F193 HydrophobicContact CB-CE2 3.4Å; H191-F193 VanDerWaalsContact CB-CE2 3.4Å; H191-F193 AromaticContact CG-CE2 3.94Å; H191-F193 PolarHBondContact O-N 3.29Å
192S66.6Low83.6Confident90 Ų9068.1 Ų68.163%0.62936%0.358SS*.  trans-94.879.8-178.3-174.70000112.6
193F69.6Low83.6Confident17 Ų1765 Ų658%0.07533%0.331CS..  trans-114.728.3173-60-70000112.6A114 L135 H191 E196 V197A114-F193 HydrophobicContact CB-CD2 3.43Å; A114-F193 VanDerWaalsContact CB-CD2 3.43Å; A114-F193 HydrophobicContact CB-CE1 4.34Å; A114-F193 HydrophobicContact CB-CE2 3.15Å; A114-F193 HydrophobicContact CB-CG 4.13Å; A114-F193 HydrophobicContact CB-CZ 3.67Å; L135-F193 HydrophobicContact CD2-CE1 4.11Å; L135-F193 HydrophobicContact CD2-CZ 3.77Å; H191-F193 HydrophobicContact CB-CD2 3.57Å; H191-F193 HydrophobicContact CB-CE2 3.4Å; H191-F193 VanDerWaalsContact CB-CE2 3.4Å; H191-F193 AromaticContact CG-CE2 3.94Å; H191-F193 PolarHBondContact O-N 3.29Å; F193-E196 WeakPolarHBondContact CA-OE2 3.44Å; F193-V197 HydrophobicContact CB-CG2 4.29Å; F193-V197 WeakPolarHBondContact O-CB 3.16Å; F193-V197 WeakPolarHBondContact O-CG2 3.23Å; F193-V197 PolarHBondContact O-N 3.37Å
194H70Confident83.9Confident119 Ų11967.4 Ų67.455%0.55134%0.337SS*.Hα-helixtrans-68.3-41.5-167.3-7194.6000113.3D198H194-D198 WeakPolarHBondContact O-CB 3.3Å; H194-D198 PolarHBondContact O-N 2.83Å
195D73.8Confident84.2Confident128 Ų12865.8 Ų65.868%0.68432%0.317SS*.Hα-helixtrans-76.3-39.9-175.5-65.2-38.3000111D198 V199D195-D198 PolarHBondContact O-N 3.1Å; D195-D198 VanDerWaalsContact O-N 3.16Å; D195-V199 PolarHBondContact O-N 2.92Å
196E80.3Confident84.5Confident55 Ų5569 Ų6926%0.25733%0.329SS..Hα-helixtrans-65.5-43.8176.5-54.178.7-176.800110.8L134 R138 F193 D198 V199 Y200L134-E196 HydrophobicContact CD2-CB 3.71Å; R138-E196 IonicContact CZ-OE1 3.63Å; R138-E196 IonicContact NH1-OE1 3.32Å; R138-E196 PolarHBondContact NH1-OE1 2.75Å; R138-E196 IonicContact NH2-OE1 3.27Å; R138-E196 PolarHBondContact NH2-OE1 2.92Å; F193-E196 WeakPolarHBondContact CA-OE2 3.44Å; E196-D198 VanDerWaalsContact C-N 3.29Å; E196-D198 PolarHBondContact O-N 3.12Å; E196-V199 WeakPolarHBondContact O-CB 3.27Å; E196-V199 PolarHBondContact O-N 3.49Å; E196-Y200 VanDerWaalsContact O-CD2 3.23Å; E196-Y200 WeakPolarHBondContact O-CD2 3.38Å; E196-Y200 PolarHBondContact O-N 3.25Å
197V82.5Confident84.7Confident5 Ų561.5 Ų61.53%0.0330%0.297CS..Hα-helixtrans-64.6-32.8173.2170.50000111.3L112 L134 F193 Y200 R201L112-V197 HydrophobicContact CD2-CG1 4.35Å; L134-V197 HydrophobicContact CD1-CG2 3.88Å; L134-V197 HydrophobicContact CD2-CG2 4.07Å; F193-V197 HydrophobicContact CB-CG2 4.29Å; F193-V197 WeakPolarHBondContact O-CB 3.16Å; F193-V197 WeakPolarHBondContact O-CG2 3.23Å; F193-V197 PolarHBondContact O-N 3.37Å; V197-Y200 PolarHBondContact O-N 3.44Å; V197-R201 HydrophobicContact CG1-CG 4.37Å; V197-R201 WeakPolarHBondContact O-CD 3.4Å; V197-R201 VanDerWaalsContact O-CG 3.23Å; V197-R201 WeakPolarHBondContact O-CG 3.22Å; V197-R201 PolarHBondContact O-N 3.18Å
198D81.8Confident84.8Confident52 Ų5266 Ų6628%0.27832%0.32SS..Hα-helixtrans-71.7-26.2174.2-112.842.7000113.7H194 D195 E196 R201 K222H194-D198 WeakPolarHBondContact O-CB 3.3Å; H194-D198 PolarHBondContact O-N 2.83Å; D195-D198 PolarHBondContact O-N 3.1Å; D195-D198 VanDerWaalsContact O-N 3.16Å; E196-D198 VanDerWaalsContact C-N 3.29Å; E196-D198 PolarHBondContact O-N 3.12Å; D198-R201 PolarHBondContact O-N 2.96Å; D198-R201 WeakPolarHBondContact OD1-CD 3.36Å; D198-R201 IonicContact OD1-CZ 2.75Å; D198-R201 IonicContact OD1-NE 3.22Å; D198-R201 IonicContact OD1-NH1 3.4Å; D198-R201 PolarHBondContact OD1-NH1 2.82Å; D198-K222 IonicContact OD2-NZ 2.65Å; D198-K222 PolarHBondContact OD2-NZ 3.43Å
199V84.1Confident85.1Confident101 Ų10163.4 Ų63.461%0.61231%0.307SS*.Hα-helixtrans-64.2-42167174.10000111.1D195 E196 Q202D195-V199 PolarHBondContact O-N 2.92Å; E196-V199 WeakPolarHBondContact O-CB 3.27Å; E196-V199 PolarHBondContact O-N 3.49Å; V199-Q202 VanDerWaalsContact O-CG 3.25Å; V199-Q202 WeakPolarHBondContact O-CG 3.28Å; V199-Q202 PolarHBondContact O-NE2 3.41Å
200Y84.1Confident85.5Confident80 Ų8064.7 Ų64.731%0.31432%0.319SS..Hα-helixtrans-73.8-23.7176.4-71.5-67.4000113.6T111 P133 L134 E196 V197 Q202 A224T111-Y200 HydrophobicContact CG2-CD1 3.65Å; T111-Y200 HydrophobicContact CG2-CD2 4.02Å; T111-Y200 HydrophobicContact CG2-CE1 3.92Å; T111-Y200 HydrophobicContact CG2-CE2 4.26Å; T111-Y200 HydrophobicContact CG2-CG 3.71Å; P133-Y200 HydrophobicContact CB-CE1 4.36Å; P133-Y200 HydrophobicContact CB-CE2 4.31Å; P133-Y200 WeakPolarHBondContact CB-OH 3.27Å; P133-Y200 PolarHBondContact O-OH 3.49Å; L134-Y200 HydrophobicContact CD2-CD2 3.91Å; L134-Y200 HydrophobicContact CD2-CE2 3.72Å; L134-Y200 HydrophobicContact CG-CE2 4.37Å; E196-Y200 VanDerWaalsContact O-CD2 3.23Å; E196-Y200 WeakPolarHBondContact O-CD2 3.38Å; E196-Y200 PolarHBondContact O-N 3.25Å; V197-Y200 PolarHBondContact O-N 3.44Å; Y200-Q202 PolarHBondContact O-N 3.2Å; Y200-A224 VanDerWaalsContact O-CA 3.25Å; Y200-A224 WeakPolarHBondContact O-CA 3.39Å; Y200-A224 WeakPolarHBondContact O-CB 3.44Å
201R88.2Confident86.2Confident75 Ų7557 Ų5728%0.28329%0.29SS..  trans-73.863.7177.3-74.2162.5174.2167.98.3112.6V197 D198 W204 K222 R223V197-R201 HydrophobicContact CG1-CG 4.37Å; V197-R201 WeakPolarHBondContact O-CD 3.4Å; V197-R201 VanDerWaalsContact O-CG 3.23Å; V197-R201 WeakPolarHBondContact O-CG 3.22Å; V197-R201 PolarHBondContact O-N 3.18Å; D198-R201 PolarHBondContact O-N 2.96Å; D198-R201 WeakPolarHBondContact OD1-CD 3.36Å; D198-R201 IonicContact OD1-CZ 2.75Å; D198-R201 IonicContact OD1-NE 3.22Å; D198-R201 IonicContact OD1-NH1 3.4Å; D198-R201 PolarHBondContact OD1-NH1 2.82Å; R201-W204 PolarHBondContact O-NE1 3.38Å; R201-K222 HydrophobicContact CB-CB 3.94Å; R201-R223 CarbonylContact C-O 3.55Å; R201-R223 WeakPolarHBondContact CA-O 3.48Å
202Q89.3Confident87.3Confident77 Ų7757.5 Ų57.536%0.3629%0.293SS..  trans-81.8-20.1-171.1-63.5174.8500114.8V199 Y200 R223 P253V199-Q202 VanDerWaalsContact O-CG 3.25Å; V199-Q202 WeakPolarHBondContact O-CG 3.28Å; V199-Q202 PolarHBondContact O-NE2 3.41Å; Y200-Q202 PolarHBondContact O-N 3.2Å; Q202-R223 PolarHBondContact N-O 2.87Å; Q202-P253 HydrophobicContact CB-CG 3.88Å
203H93.1Very high88.7Confident9 Ų959.9 Ų59.94%0.04230%0.298CS..EExtended strand (participates in β ladder)trans-92.5116175.9-59.9-75.7000110.1W205 K222 R223 N226 K251 P253 Y256H203-W205 HydrophobicContact CB-CH2 3.44Å; H203-W205 VanDerWaalsContact CB-CH2 3.44Å; H203-W205 HydrophobicContact CB-CZ2 4.3Å; H203-W205 HydrophobicContact CB-CZ3 3.6Å; H203-W205 VanDerWaalsContact O-CZ3 3.26Å; H203-W205 WeakPolarHBondContact O-CZ3 3.17Å; H203-K222 CarbonylContact O-C 3.54Å; H203-R223 PolarHBondContact N-O 2.92Å; H203-R223 PolarHBondContact O-N 3.06Å; H203-N226 PolarHBondContact CD2-N 3.16Å; H203-N226 VanDerWaalsContact CD2-N 3.3Å; H203-K251 WeakPolarHBondContact CA-O 3.45Å; H203-P253 WeakPolarHBondContact CE1-CD 3.41Å; H203-P253 WeakPolarHBondContact ND1-CD 3.11Å; H203-Y256 AromaticContact CE1-CE2 3.9Å; H203-Y256 AromaticContact CE1-CZ 3.9Å
204W95.1Very high89.9Confident68 Ų6864.3 Ų64.326%0.25832%0.315SS..EExtended strand (participates in β ladder)trans-115137.6179.7-57.9-0.5000110.2R201 V221 K222 V250 K251R201-W204 PolarHBondContact O-NE1 3.38Å; W204-V221 WeakPolarHBondContact CA-O 3.35Å; W204-K222 HydrophobicContact CD2-CD 4.47Å; W204-K222 HydrophobicContact CD2-CG 4.27Å; W204-K222 HydrophobicContact CG-CB 4.44Å; W204-K222 HydrophobicContact CG-CG 4.05Å; W204-K222 HydrophobicContact CZ2-CD 4.18Å; W204-V250 HydrophobicContact CB-CG2 3.86Å; W204-V250 PolarHBondContact O-N 3.39Å; W204-K251 HydrophobicContact CB-CB 3.66Å; W204-K251 HydrophobicContact CD2-CB 3.97Å; W204-K251 HydrophobicContact CD2-CD 3.68Å; W204-K251 HydrophobicContact CD2-CG 4.47Å; W204-K251 HydrophobicContact CE3-CB 4.25Å; W204-K251 HydrophobicContact CE3-CD 4.03Å; W204-K251 HydrophobicContact CG-CB 3.72Å; W204-K251 HydrophobicContact CG-CD 4.08Å; W204-K251 HydrophobicContact CH2-CD 4.39Å; W204-K251 HydrophobicContact CZ2-CD 4.06Å; W204-K251 HydrophobicContact CZ3-CD 4.37Å; W204-K251 PolarHBondContact N-O 3.36Å; W204-K251 PolarHBondContact O-N 2.98Å
205W97Very high90.9Very high9 Ų967.2 Ų67.23%0.03433%0.326CS..EExtended strand (participates in β ladder)trans-118.6152167.1-62.2-102.8000109.9H203 Y220 V221 R223 R227 A228 P229 Y247 T248H203-W205 HydrophobicContact CB-CH2 3.44Å; H203-W205 VanDerWaalsContact CB-CH2 3.44Å; H203-W205 HydrophobicContact CB-CZ2 4.3Å; H203-W205 HydrophobicContact CB-CZ3 3.6Å; H203-W205 VanDerWaalsContact O-CZ3 3.26Å; H203-W205 WeakPolarHBondContact O-CZ3 3.17Å; W205-Y220 WeakPolarHBondContact O-CA 3.41Å; W205-V221 PolarHBondContact N-O 3.26Å; W205-V221 PolarHBondContact O-N 3.41Å; W205-R223 HydrophobicContact CZ3-CB 3.9Å; W205-R223 HydrophobicContact CZ3-CG 3.99Å; W205-R227 VanDerWaalsContact CH2-O 3.31Å; W205-R227 WeakPolarHBondContact CH2-O 3.25Å; W205-A228 HydrophobicContact CZ2-CB 4.36Å; W205-P229 HydrophobicContact CB-CG 4.27Å; W205-P229 HydrophobicContact CG-CG 4.33Å; W205-Y247 HydrophobicContact CB-CD1 4.01Å; W205-T248 CarbonylContact C-O 3.52Å; W205-T248 WeakPolarHBondContact CA-O 3.15Å; W205-T248 WeakPolarHBondContact CB-O 3.41Å
206R97.4Very high91.8Very high73 Ų7365.4 Ų65.428%0.27532%0.321SS..EExtended strand (participates in β ladder)trans-129.7130.8173.5-160.1174.4-173.7-109.6-14.9109.5G219 Y220 T248 V250R206-G219 CarbonylContact C-O 3.55Å; R206-G219 WeakPolarHBondContact CA-O 3.18Å; R206-Y220 HydrophobicContact CB-CD1 4.17Å; R206-Y220 HydrophobicContact CB-CE1 4.16Å; R206-Y220 VanDerWaalsContact CD-CZ 3.49Å; R206-Y220 HydrophobicContact CG-CD1 4.02Å; R206-Y220 HydrophobicContact CG-CE1 3.9Å; R206-Y220 HydrophobicContact CG-CG 4.4Å; R206-Y220 PolarHBondContact NE-OH 3.26Å; R206-T248 PolarHBondContact N-O 3.35Å; R206-T248 PolarHBondContact O-N 3.01Å; R206-T248 PolarHBondContact O-OG1 2.92Å; R206-V250 HydrophobicContact CB-CG1 3.79Å; R206-V250 HydrophobicContact CB-CG2 4.1Å
207C97.8Very high92.5Very high2 Ų271.2 Ų71.21%0.01434%0.342CS..EExtended strand (participates in β ladder)trans-71.9140.3173.6-171.20000110G209 C211 Q212 G219 H239 T246 Y247C207-G209 PolarHBondContact SG-N 2.65Å; C207-C211 WeakPolarHBondContact CB-SG 3.41Å; C207-Q212 WeakPolarHBondContact O-CG 3.26Å; C207-G219 PolarHBondContact N-O 3.43Å; C207-H239 PolarHBondContact SG-CE1 2.81Å; C207-H239 PolarHBondContact SG-NE2 3.36Å; C207-H239 VanDerWaalsContact SG-NE2 3.36Å; C207-T246 WeakPolarHBondContact CA-O 3.45Å; C207-Y247 HydrophobicContact CB-CD1 3.92Å; C207-Y247 HydrophobicContact CB-CD2 4.44Å; C207-Y247 HydrophobicContact CB-CE1 3.69Å; C207-Y247 HydrophobicContact CB-CE2 4.25Å; C207-Y247 HydrophobicContact CB-CG 4.3Å
208N96.6Very high93.1Very high96 Ų9675.4 Ų75.451%0.51336%0.36SS..SBendtrans-83.1-10.9171.869.6-8000113.5Q212 G245 T246N208-Q212 VanDerWaalsContact C-NE2 3.31Å; N208-Q212 PolarHBondContact O-NE2 2.92Å; N208-G245 WeakPolarHBondContact OD1-CA 3.34Å; N208-T246 PolarHBondContact N-O 3.31Å; N208-T246 PolarHBondContact OD1-N 3.43Å; N208-T246 PolarHBondContact OD1-O 3.39Å
209G96.2Very high93.8Very high11 Ų1173.1 Ų73.111%0.11335%0.348CS..SBendtrans-81.7-178.5-177.100000115.3C207 C211 Q212C207-G209 PolarHBondContact SG-N 2.65Å; G209-C211 PolarHBondContact O-N 2.79Å; G209-Q212 WeakPolarHBondContact O-CG 3.41Å; G209-Q212 PolarHBondContact O-N 2.74Å
210P97Very high94.3Very high76 Ų7672.8 Ų72.849%0.49434%0.336SS..G310 helixtrans-62.9-12.1-175.824.4-36.2000115.5Q212 N213 C243P210-Q212 PolarHBondContact O-N 3.27Å; P210-N213 PolarHBondContact O-N 3.49Å; P210-C243 VanDerWaalsContact CD-SG 3.5Å
211C96.6Very high94.9Very high14 Ų1469.9 Ų69.910%0.09533%0.327CS..G310 helixtrans-67-13.1173.772.40000113.5C207 G209 N213 R214 F218 G219 H239 C243C207-C211 WeakPolarHBondContact CB-SG 3.41Å; G209-C211 PolarHBondContact O-N 2.79Å; C211-N213 PolarHBondContact O-N 3Å; C211-N213 VanDerWaalsContact O-N 3.15Å; C211-R214 PolarHBondContact O-N 3.14Å; C211-F218 CarbonylContact O-C 3.47Å; C211-G219 PolarHBondContact O-N 2.97Å; C211-H239 PolarHBondContact SG-NE2 2.74Å; C211-H239 VanDerWaalsContact SG-NE2 3.39Å; C211-C243 HydrophobicContact CB-CB 4.15Å; C211-C243 VanDerWaalsContact CB-SG 3.54Å; C211-C243 PolarHBondContact N-SG 3.33Å; C211-C243 PolarHBondContact SG-SG 3.48Å
212Q96.6Very high95.1Very high50 Ų5070 Ų7023%0.23433%0.33CS..G310 helixtrans-49.7-34.9168.7-76.3-176.375.800113.4C207 N208 G209 P210 F218C207-Q212 WeakPolarHBondContact O-CG 3.26Å; N208-Q212 VanDerWaalsContact C-NE2 3.31Å; N208-Q212 PolarHBondContact O-NE2 2.92Å; G209-Q212 WeakPolarHBondContact O-CG 3.41Å; G209-Q212 PolarHBondContact O-N 2.74Å; P210-Q212 PolarHBondContact O-N 3.27Å; Q212-F218 CarbonylContact O-C 3.34Å; Q212-F218 WeakPolarHBondContact O-CA 3.38Å; Q212-F218 WeakPolarHBondContact O-CB 3.36Å
213N95.6Very high95.2Very high140 Ų14067.8 Ų67.875%0.74932%0.318SS*.G310 helixtrans-100.42.1-176.7-63.18.7000112.4P210 C211P210-N213 PolarHBondContact O-N 3.49Å; C211-N213 PolarHBondContact O-N 3Å; C211-N213 VanDerWaalsContact O-N 3.15Å
214R94.6Very high94.9Very high111 Ų11168.5 Ų68.542%0.41933%0.326SS..SBendtrans-97.3128.9-177-62.1-176.3-168.6165.54.2111C211 F218 S242C211-R214 PolarHBondContact O-N 3.14Å; R214-F218 WeakPolarHBondContact O-CA 3.3Å; R214-F218 PolarHBondContact O-N 3.4Å; R214-S242 VanDerWaalsContact CZ-O 3.29Å; R214-S242 PolarHBondContact NH1-O 3.05Å; R214-S242 PolarHBondContact NH2-O 3.05Å
215K91.6Very high94.6Very high180 Ų18071 Ų7178%0.78334%0.342SS*.THydrogen-bonded Turntrans-66.8154169.2-73.6176.5179.3178.90110.7F218K215-F218 HydrophobicContact CD-CZ 4.47Å; K215-F218 HydrophobicContact CG-CE1 4.01Å; K215-F218 HydrophobicContact CG-CE2 4.15Å; K215-F218 HydrophobicContact CG-CZ 3.5Å; K215-F218 VanDerWaalsContact CG-CZ 3.5Å
216P92.9Very high94.3Very high90 Ų9074 Ų7458%0.58436%0.358SS*.THydrogen-bonded Turncis-86.3-16.9-5.134.1-34.2000113.6F218P216-F218 WeakPolarHBondContact O-CD2 3.35Å; P216-F218 WeakPolarHBondContact O-CE2 3.45Å
217Y93.8Very high94.1Very high177 Ų17775.3 Ų75.369%0.69436%0.363SS*.THydrogen-bonded Turntrans-89.5-15.8-164.1-53.2-63.4000115.8G219 Y220Y217-G219 PolarHBondContact O-N 3.12Å; Y217-G219 VanDerWaalsContact O-N 3.12Å; Y217-Y220 WeakPolarHBondContact O-CB 3.23Å; Y217-Y220 PolarHBondContact O-N 3.39Å
218F96.2Very high93.9Very high93 Ų9377.6 Ų77.641%0.40838%0.382SS..THydrogen-bonded Turntrans50.338.7179.2-59.2-80.3000114.1C211 Q212 R214 K215 P216 Y220C211-F218 CarbonylContact O-C 3.47Å; Q212-F218 CarbonylContact O-C 3.34Å; Q212-F218 WeakPolarHBondContact O-CA 3.38Å; Q212-F218 WeakPolarHBondContact O-CB 3.36Å; R214-F218 WeakPolarHBondContact O-CA 3.3Å; R214-F218 PolarHBondContact O-N 3.4Å; K215-F218 HydrophobicContact CD-CZ 4.47Å; K215-F218 HydrophobicContact CG-CE1 4.01Å; K215-F218 HydrophobicContact CG-CE2 4.15Å; K215-F218 HydrophobicContact CG-CZ 3.5Å; K215-F218 VanDerWaalsContact CG-CZ 3.5Å; P216-F218 WeakPolarHBondContact O-CD2 3.35Å; P216-F218 WeakPolarHBondContact O-CE2 3.45Å; F218-Y220 HydrophobicContact CB-CD2 4.39Å; F218-Y220 WeakPolarHBondContact O-CD2 3.46Å; F218-Y220 PolarHBondContact O-N 3Å
219G95.4Very high93.9Very high3 Ų373.7 Ų73.73%0.03136%0.362CS..THydrogen-bonded Turntrans730.9-17800000115.7R206 C207 C211 Y217 Y247R206-G219 CarbonylContact C-O 3.55Å; R206-G219 WeakPolarHBondContact CA-O 3.18Å; C207-G219 PolarHBondContact N-O 3.43Å; C211-G219 PolarHBondContact O-N 2.97Å; Y217-G219 PolarHBondContact O-N 3.12Å; Y217-G219 VanDerWaalsContact O-N 3.12Å; G219-Y247 WeakPolarHBondContact O-CE1 3.25Å
220Y96.2Very high93.8Very high94 Ų9474.6 Ų74.637%0.36937%0.366SS..EExtended strand (participates in β ladder)trans-84.8146.1178.8-72.4-81.1000113.3W205 R206 Y217 F218 V250W205-Y220 WeakPolarHBondContact O-CA 3.41Å; R206-Y220 HydrophobicContact CB-CD1 4.17Å; R206-Y220 HydrophobicContact CB-CE1 4.16Å; R206-Y220 VanDerWaalsContact CD-CZ 3.49Å; R206-Y220 HydrophobicContact CG-CD1 4.02Å; R206-Y220 HydrophobicContact CG-CE1 3.9Å; R206-Y220 HydrophobicContact CG-CG 4.4Å; R206-Y220 PolarHBondContact NE-OH 3.26Å; Y217-Y220 WeakPolarHBondContact O-CB 3.23Å; Y217-Y220 PolarHBondContact O-N 3.39Å; F218-Y220 HydrophobicContact CB-CD2 4.39Å; F218-Y220 WeakPolarHBondContact O-CD2 3.46Å; F218-Y220 PolarHBondContact O-N 3Å; Y220-V250 HydrophobicContact CE1-CG2 4.3Å
221V95.3Very high93.7Very high19 Ų1975.4 Ų75.412%0.11537%0.374CS..EExtended strand (participates in β ladder)trans-132120.7162.6172.10000107.9W204 W205 R223 P229 W235 Y247W204-V221 WeakPolarHBondContact CA-O 3.35Å; W205-V221 PolarHBondContact N-O 3.26Å; W205-V221 PolarHBondContact O-N 3.41Å; V221-R223 HydrophobicContact CG1-CG 4.01Å; V221-P229 HydrophobicContact CB-CG 4.11Å; V221-P229 HydrophobicContact CG1-CG 4.09Å; V221-P229 HydrophobicContact CG2-CG 4.22Å; V221-W235 HydrophobicContact CG2-CH2 3.77Å; V221-W235 HydrophobicContact CG2-CZ2 3.9Å; V221-Y247 HydrophobicContact CB-CE1 4.26Å; V221-Y247 HydrophobicContact CG2-CD1 4.31Å; V221-Y247 HydrophobicContact CG2-CE1 3.55Å
222K92.8Very high93.5Very high79 Ų7981.6 Ų81.634%0.34341%0.405SS..EExtended strand (participates in β ladder)trans-106.2137.7174.3-47.4-178.4-174.2176.70109.8D198 R201 H203 W204D198-K222 IonicContact OD2-NZ 2.65Å; D198-K222 PolarHBondContact OD2-NZ 3.43Å; R201-K222 HydrophobicContact CB-CB 3.94Å; H203-K222 CarbonylContact O-C 3.54Å; W204-K222 HydrophobicContact CD2-CD 4.47Å; W204-K222 HydrophobicContact CD2-CG 4.27Å; W204-K222 HydrophobicContact CG-CB 4.44Å; W204-K222 HydrophobicContact CG-CG 4.05Å; W204-K222 HydrophobicContact CZ2-CD 4.18Å
223R91.6Very high93.4Very high29 Ų2979.7 Ų79.711%0.10940%0.397CS..EExtended strand (participates in β ladder)trans-143.7150.7177.7-56.7176.4171.5176.8-4.2111.4R201 Q202 H203 W205 V221 M225 R227 A228 D233R201-R223 CarbonylContact C-O 3.55Å; R201-R223 WeakPolarHBondContact CA-O 3.48Å; Q202-R223 PolarHBondContact N-O 2.87Å; H203-R223 PolarHBondContact N-O 2.92Å; H203-R223 PolarHBondContact O-N 3.06Å; W205-R223 HydrophobicContact CZ3-CB 3.9Å; W205-R223 HydrophobicContact CZ3-CG 3.99Å; V221-R223 HydrophobicContact CG1-CG 4.01Å; R223-M225 VanDerWaalsContact C-N 3.28Å; R223-R227 VanDerWaalsContact CD-O 3.22Å; R223-R227 WeakPolarHBondContact CD-O 3.4Å; R223-R227 PolarHBondContact NH1-O 3.47Å; R223-A228 PolarHBondContact NH1-O 2.97Å; R223-D233 IonicContact CZ-OD1 3.23Å; R223-D233 IonicContact CZ-OD2 2.63Å; R223-D233 IonicContact NH1-OD1 2.65Å; R223-D233 IonicContact NH1-OD2 2.79Å; R223-D233 PolarHBondContact NH1-OD2 3.39Å; R223-D233 IonicContact NH2-OD1 3.03Å; R223-D233 PolarHBondContact NH2-OD1 3.34Å; R223-D233 IonicContact NH2-OD2 2.72Å; R223-D233 PolarHBondContact NH2-OD2 2.95Å
224A87.9Confident93.3Very high25 Ų2579 Ų7921%0.20740%0.4CS..SBendtrans-77-14.6173.700000113.5L112 Y200L112-A224 HydrophobicContact CD2-CB 3.91Å; Y200-A224 VanDerWaalsContact O-CA 3.25Å; Y200-A224 WeakPolarHBondContact O-CA 3.39Å; Y200-A224 WeakPolarHBondContact O-CB 3.44Å
225M87Confident93.3Very high121 Ų12178.1 Ų78.160%0.59640%0.397SS*.SBendtrans-117.5147.7179.2-19.4-179.99200110R223 R227R223-M225 VanDerWaalsContact C-N 3.28Å; M225-R227 PolarHBondContact O-N 3.25Å
226N91.5Very high93.5Very high70 Ų7072 Ų7237%0.37437%0.369SS..  trans-73.351.8176-170.834.6000113.2H203 K249 Y256H203-N226 PolarHBondContact CD2-N 3.16Å; H203-N226 VanDerWaalsContact CD2-N 3.3Å; N226-K249 VanDerWaalsContact OD1-CE 3.23Å; N226-K249 WeakPolarHBondContact OD1-CE 3.33Å; N226-K249 PolarHBondContact OD1-NZ 3.41Å; N226-Y256 HydrophobicContact CB-CE1 4.21Å; N226-Y256 VanDerWaalsContact CB-OH 3.22Å; N226-Y256 WeakPolarHBondContact CB-OH 3.4Å; N226-Y256 WeakPolarHBondContact ND2-CE1 3.48Å; N226-Y256 PolarHBondContact ND2-OH 2.86Å; N226-Y256 VanDerWaalsContact ND2-OH 3.16Å
227R93.2Very high93.6Very high102 Ų10270.9 Ų70.939%0.38536%0.356SS..  trans-105110.3174.2-174.4174.870.877.7-4.4108.9W205 R223 M225 S230 D233W205-R227 VanDerWaalsContact CH2-O 3.31Å; W205-R227 WeakPolarHBondContact CH2-O 3.25Å; R223-R227 VanDerWaalsContact CD-O 3.22Å; R223-R227 WeakPolarHBondContact CD-O 3.4Å; R223-R227 PolarHBondContact NH1-O 3.47Å; M225-R227 PolarHBondContact O-N 3.25Å; R227-S230 PolarHBondContact NH1-OG 3.11Å; R227-D233 IonicContact CZ-OD1 3.47Å; R227-D233 VanDerWaalsContact CZ-OD1 3.23Å; R227-D233 IonicContact NH1-OD1 2.65Å; R227-D233 PolarHBondContact NH1-OD1 3.39Å; R227-D233 IonicContact NH1-OD2 3.36Å; R227-D233 PolarHBondContact NH1-OD2 3.32Å; R227-D233 IonicContact NH2-OD1 3.39Å; R227-D233 PolarHBondContact NH2-OD1 3Å
228A94.1Very high93.7Very high50 Ų5067 Ų6741%0.41335%0.347SS..  trans-60.5152.3175.600000112W205 R223 S230W205-A228 HydrophobicContact CZ2-CB 4.36Å; R223-A228 PolarHBondContact NH1-O 2.97Å; A228-S230 PolarHBondContact O-N 3.25Å
229P96.3Very high93.7Very high13 Ų1363.4 Ų63.48%0.08433%0.331CS..SBendtrans-50.1134.2164-32.341000112W205 V221 D233 W235 W236 Y247W205-P229 HydrophobicContact CB-CG 4.27Å; W205-P229 HydrophobicContact CG-CG 4.33Å; V221-P229 HydrophobicContact CB-CG 4.11Å; V221-P229 HydrophobicContact CG1-CG 4.09Å; V221-P229 HydrophobicContact CG2-CG 4.22Å; P229-D233 WeakPolarHBondContact CA-OD2 3.49Å; P229-W235 HydrophobicContact CB-CH2 3.94Å; P229-W235 HydrophobicContact CG-CH2 4.39Å; P229-W236 VanDerWaalsContact C-CZ3 3.5Å; P229-W236 HydrophobicContact CB-CE3 4.2Å; P229-W236 HydrophobicContact CB-CZ3 3.64Å; P229-Y247 HydrophobicContact CB-CD1 4.37Å; P229-Y247 HydrophobicContact CB-CD2 3.57Å; P229-Y247 HydrophobicContact CB-CE2 4.03Å; P229-Y247 HydrophobicContact CB-CG 3.75Å; P229-Y247 HydrophobicContact CG-CD1 3.84Å; P229-Y247 HydrophobicContact CG-CD2 3.97Å; P229-Y247 HydrophobicContact CG-CE1 4.34Å; P229-Y247 HydrophobicContact CG-CE2 4.44Å; P229-Y247 HydrophobicContact CG-CG 3.62Å
230S93.9Very high93.8Very high30 Ų3069.2 Ų69.221%0.2135%0.352CS..  trans-159.4168.9-16760.30000111.9R227 A228 L232 D233 W236R227-S230 PolarHBondContact NH1-OG 3.11Å; A228-S230 PolarHBondContact O-N 3.25Å; S230-L232 PolarHBondContact O-N 3.38Å; S230-D233 PolarHBondContact N-OD2 3.13Å; S230-D233 WeakPolarHBondContact O-CB 3.23Å; S230-D233 PolarHBondContact O-N 3.42Å; S230-D233 PolarHBondContact OG-OD2 3.48Å; S230-W236 VanDerWaalsContact C-CD2 3.42Å; S230-W236 VanDerWaalsContact O-CB 3.28Å; S230-W236 WeakPolarHBondContact O-CB 3.16Å; S230-W236 VanDerWaalsContact O-CG 3.3Å
231S94.2Very high93.8Very high94 Ų9473.3 Ų73.366%0.65737%0.367SS*.THydrogen-bonded Turntrans-60.4-9.1173.448.20000115.7D233 W236S231-D233 VanDerWaalsContact C-N 3.28Å; S231-W236 VanDerWaalsContact CA-CD1 3.4Å
232L93.3Very high93.8Very high143 Ų14375.5 Ų75.575%0.74938%0.383SS*.THydrogen-bonded Turntrans-80.8-7.1170.8-57.6177.1000113.1S230S230-L232 PolarHBondContact O-N 3.38Å
233D93.8Very high94Very high11 Ų1172.5 Ų72.56%0.05937%0.372CS..SBendtrans-91126.8177-65.7-60.7000110.5R223 R227 P229 S230 S231 W235 W236R223-D233 IonicContact CZ-OD1 3.23Å; R223-D233 IonicContact CZ-OD2 2.63Å; R223-D233 IonicContact NH1-OD1 2.65Å; R223-D233 IonicContact NH1-OD2 2.79Å; R223-D233 PolarHBondContact NH1-OD2 3.39Å; R223-D233 IonicContact NH2-OD1 3.03Å; R223-D233 PolarHBondContact NH2-OD1 3.34Å; R223-D233 IonicContact NH2-OD2 2.72Å; R223-D233 PolarHBondContact NH2-OD2 2.95Å; R227-D233 IonicContact CZ-OD1 3.47Å; R227-D233 VanDerWaalsContact CZ-OD1 3.23Å; R227-D233 IonicContact NH1-OD1 2.65Å; R227-D233 PolarHBondContact NH1-OD1 3.39Å; R227-D233 IonicContact NH1-OD2 3.36Å; R227-D233 PolarHBondContact NH1-OD2 3.32Å; R227-D233 IonicContact NH2-OD1 3.39Å; R227-D233 PolarHBondContact NH2-OD1 3Å; P229-D233 WeakPolarHBondContact CA-OD2 3.49Å; S230-D233 PolarHBondContact N-OD2 3.13Å; S230-D233 WeakPolarHBondContact O-CB 3.23Å; S230-D233 PolarHBondContact O-N 3.42Å; S230-D233 PolarHBondContact OG-OD2 3.48Å; S231-D233 VanDerWaalsContact C-N 3.28Å; D233-W235 HydrophobicContact CB-CD2 4.41Å; D233-W235 HydrophobicContact CB-CZ2 4.21Å; D233-W235 PolarHBondContact O-N 2.99Å; D233-W236 HydrophobicContact CB-CB 4.37Å; D233-W236 WeakPolarHBondContact O-CB 3.47Å; D233-W236 PolarHBondContact O-N 3.11Å
234P93.8Very high94.1Very high124 Ų12473.7 Ų73.781%0.80539%0.393SS*.THydrogen-bonded Turntrans-55.8-30.6-172.3-30.135.8000115.5
235W94.4Very high94.5Very high94 Ų9473 Ų7336%0.35639%0.389SS..THydrogen-bonded Turntrans-86.5-2179.554-99.5000114V221 P229 D233 E237 D238 H239 Y247V221-W235 HydrophobicContact CG2-CH2 3.77Å; V221-W235 HydrophobicContact CG2-CZ2 3.9Å; P229-W235 HydrophobicContact CB-CH2 3.94Å; P229-W235 HydrophobicContact CG-CH2 4.39Å; D233-W235 HydrophobicContact CB-CD2 4.41Å; D233-W235 HydrophobicContact CB-CZ2 4.21Å; D233-W235 PolarHBondContact O-N 2.99Å; W235-E237 PolarHBondContact O-N 3.08Å; W235-D238 PolarHBondContact O-N 2.65Å; W235-H239 HydrophobicContact CE3-CB 3.87Å; W235-H239 HydrophobicContact CZ3-CB 3.98Å; W235-H239 PolarHBondContact O-N 2.83Å; W235-Y247 AromaticContact CH2-CE2 3.96Å; W235-Y247 HydrophobicContact CH2-CE2 3.96Å; W235-Y247 AromaticContact CH2-CZ 3.9Å; W235-Y247 AromaticContact CZ3-CE2 3.89Å; W235-Y247 HydrophobicContact CZ3-CE2 3.89Å; W235-Y247 AromaticContact CZ3-CZ 4Å
236W95.4Very high94.9Very high52 Ų5271.7 Ų71.720%0.19739%0.388CS..Hα-helixtrans-64.1-39.1-173.2-179.4-98.8000113.2P229 S230 S231 D233 H239 R240 Y247P229-W236 VanDerWaalsContact C-CZ3 3.5Å; P229-W236 HydrophobicContact CB-CE3 4.2Å; P229-W236 HydrophobicContact CB-CZ3 3.64Å; S230-W236 VanDerWaalsContact C-CD2 3.42Å; S230-W236 VanDerWaalsContact O-CB 3.28Å; S230-W236 WeakPolarHBondContact O-CB 3.16Å; S230-W236 VanDerWaalsContact O-CG 3.3Å; S231-W236 VanDerWaalsContact CA-CD1 3.4Å; D233-W236 HydrophobicContact CB-CB 4.37Å; D233-W236 WeakPolarHBondContact O-CB 3.47Å; D233-W236 PolarHBondContact O-N 3.11Å; W236-H239 PolarHBondContact O-N 3.02Å; W236-R240 WeakPolarHBondContact O-CB 3.46Å; W236-R240 PolarHBondContact O-N 3.41Å; W236-Y247 HydrophobicContact CH2-CD2 4.49Å; W236-Y247 AromaticContact CZ3-CD2 3.86Å; W236-Y247 HydrophobicContact CZ3-CD2 3.86Å; W236-Y247 HydrophobicContact CZ3-CE2 4.14Å
237E96.1Very high95.2Very high65 Ų6569.9 Ų69.930%0.30438%0.376SS..Hα-helixtrans-59.3-48176.2-80.5-65.6133.400111.4W235 H239 R240 R241W235-E237 PolarHBondContact O-N 3.08Å; E237-H239 VanDerWaalsContact C-N 3.35Å; E237-H239 PolarHBondContact O-N 3.34Å; E237-R240 PolarHBondContact O-N 2.98Å; E237-R240 IonicContact OE1-CZ 3.31Å; E237-R240 IonicContact OE1-NH1 3.61Å; E237-R240 PolarHBondContact OE1-NH1 3.29Å; E237-R240 IonicContact OE1-NH2 2.61Å; E237-R240 PolarHBondContact OE1-NH2 3.25Å; E237-R240 IonicContact OE2-CZ 2.83Å; E237-R240 IonicContact OE2-NH1 2.72Å; E237-R240 IonicContact OE2-NH2 3.79Å; E237-R240 PolarHBondContact OE2-NH2 3.21Å; E237-R241 WeakPolarHBondContact O-CB 3.31Å; E237-R241 WeakPolarHBondContact O-CD 3.11Å; E237-R241 WeakPolarHBondContact O-CG 3.22Å; E237-R241 PolarHBondContact O-N 2.63Å; E237-R241 IonicContact OE2-CZ 3.76Å; E237-R241 IonicContact OE2-NE 3.62Å; E237-R241 PolarHBondContact OE2-NE 3.01Å; E237-R241 IonicContact OE2-NH2 3.54Å; E237-R241 PolarHBondContact OE2-NH2 3.42Å
238D95.4Very high95.3Very high96 Ų9668.6 Ų68.651%0.51338%0.38SS..Hα-helixtrans-67.9-35.5179.7-58.6-38.2000111.9W235 S242W235-D238 PolarHBondContact O-N 2.65Å; D238-S242 WeakPolarHBondContact O-CB 3.26Å; D238-S242 PolarHBondContact O-N 3.16Å; D238-S242 PolarHBondContact O-OG 2.77Å
239H96.8Very high95.4Very high17 Ų1769.8 Ų69.88%0.07938%0.375CS..Hα-helixtrans-65.1-44.7171-179.5-92.1000111.9C207 C211 W235 W236 E237 R241 C243 G244 G245 Y247C207-H239 PolarHBondContact SG-CE1 2.81Å; C207-H239 PolarHBondContact SG-NE2 3.36Å; C207-H239 VanDerWaalsContact SG-NE2 3.36Å; C211-H239 PolarHBondContact SG-NE2 2.74Å; C211-H239 VanDerWaalsContact SG-NE2 3.39Å; W235-H239 HydrophobicContact CE3-CB 3.87Å; W235-H239 HydrophobicContact CZ3-CB 3.98Å; W235-H239 PolarHBondContact O-N 2.83Å; W236-H239 PolarHBondContact O-N 3.02Å; E237-H239 VanDerWaalsContact C-N 3.35Å; E237-H239 PolarHBondContact O-N 3.34Å; H239-R241 VanDerWaalsContact C-N 3.32Å; H239-R241 PolarHBondContact O-N 3.3Å; H239-C243 WeakPolarHBondContact O-CA 3.21Å; H239-C243 VanDerWaalsContact O-CB 3.28Å; H239-C243 WeakPolarHBondContact O-CB 3.04Å; H239-C243 PolarHBondContact O-N 2.81Å; H239-G244 PolarHBondContact O-N 2.99Å; H239-G245 PolarHBondContact CE1-O 2.83Å; H239-G245 VanDerWaalsContact CE1-O 3.31Å; H239-Y247 AromaticContact CE1-CE2 3.4Å; H239-Y247 VanDerWaalsContact CE1-CE2 3.4Å; H239-Y247 WeakPolarHBondContact CE1-CE2 3.28Å; H239-Y247 AromaticContact ND1-CE2 3.7Å; H239-Y247 AromaticContact NE2-CE2 3.65Å; H239-Y247 AromaticContact NE2-CZ 3.86Å
240R95.9Very high95.4Very high126 Ų12672.8 Ų72.848%0.47539%0.393SS..Hα-helixtrans-61-42177.9-168.2177.274-123.4-7.4111.2W236 E237 G244W236-R240 WeakPolarHBondContact O-CB 3.46Å; W236-R240 PolarHBondContact O-N 3.41Å; E237-R240 PolarHBondContact O-N 2.98Å; E237-R240 IonicContact OE1-CZ 3.31Å; E237-R240 IonicContact OE1-NH1 3.61Å; E237-R240 PolarHBondContact OE1-NH1 3.29Å; E237-R240 IonicContact OE1-NH2 2.61Å; E237-R240 PolarHBondContact OE1-NH2 3.25Å; E237-R240 IonicContact OE2-CZ 2.83Å; E237-R240 IonicContact OE2-NH1 2.72Å; E237-R240 IonicContact OE2-NH2 3.79Å; E237-R240 PolarHBondContact OE2-NH2 3.21Å; R240-G244 WeakPolarHBondContact O-CA 3.36Å; R240-G244 PolarHBondContact O-N 2.72Å
241R96.3Very high95.3Very high179 Ų17975.9 Ų75.968%0.67540%0.403SS*.Hα-helixtrans-72.3-45.6179.5-64.9163.6-161.9-166.53113.1E237 H239E237-R241 WeakPolarHBondContact O-CB 3.31Å; E237-R241 WeakPolarHBondContact O-CD 3.11Å; E237-R241 WeakPolarHBondContact O-CG 3.22Å; E237-R241 PolarHBondContact O-N 2.63Å; E237-R241 IonicContact OE2-CZ 3.76Å; E237-R241 IonicContact OE2-NE 3.62Å; E237-R241 PolarHBondContact OE2-NE 3.01Å; E237-R241 IonicContact OE2-NH2 3.54Å; E237-R241 PolarHBondContact OE2-NH2 3.42Å; H239-R241 VanDerWaalsContact C-N 3.32Å; H239-R241 PolarHBondContact O-N 3.3Å
242S96.4Very high95.1Very high65 Ų6576 Ų7646%0.45539%0.393SS..Hα-helixtrans-91.7-14.1-171.671.60000114.8R214 D238R214-S242 VanDerWaalsContact CZ-O 3.29Å; R214-S242 PolarHBondContact NH1-O 3.05Å; R214-S242 PolarHBondContact NH2-O 3.05Å; D238-S242 WeakPolarHBondContact O-CB 3.26Å; D238-S242 PolarHBondContact O-N 3.16Å; D238-S242 PolarHBondContact O-OG 2.77Å
243C96.5Very high94.8Very high17 Ų1770.5 Ų70.512%0.11537%0.366CS..THydrogen-bonded Turntrans-134.2-40.3-176-174.30000113.7P210 C211 H239 G245P210-C243 VanDerWaalsContact CD-SG 3.5Å; C211-C243 HydrophobicContact CB-CB 4.15Å; C211-C243 VanDerWaalsContact CB-SG 3.54Å; C211-C243 PolarHBondContact N-SG 3.33Å; C211-C243 PolarHBondContact SG-SG 3.48Å; H239-C243 WeakPolarHBondContact O-CA 3.21Å; H239-C243 VanDerWaalsContact O-CB 3.28Å; H239-C243 WeakPolarHBondContact O-CB 3.04Å; H239-C243 PolarHBondContact O-N 2.81Å; C243-G245 PolarHBondContact O-N 3.03Å
244G94.7Very high94.2Very high53 Ų5379.4 Ų79.455%0.54641%0.408SS..  trans65.3-3.6179.400000116.6H239 R240H239-G244 PolarHBondContact O-N 2.99Å; R240-G244 WeakPolarHBondContact O-CA 3.36Å; R240-G244 PolarHBondContact O-N 2.72Å
245G95.2Very high93.1Very high12 Ų1275.4 Ų75.412%0.12439%0.389CS..  trans-75.8165.4-175.900000114.2N208 H239 C243N208-G245 WeakPolarHBondContact OD1-CA 3.34Å; H239-G245 PolarHBondContact CE1-O 2.83Å; H239-G245 VanDerWaalsContact CE1-O 3.31Å; C243-G245 PolarHBondContact O-N 3.03Å
246T96.1Very high91.6Very high92 Ų9276 Ų7656%0.56439%0.392SS*.  trans-105.4139.6179.3-60.50000110.6C207 N208C207-T246 WeakPolarHBondContact CA-O 3.45Å; N208-T246 PolarHBondContact N-O 3.31Å; N208-T246 PolarHBondContact OD1-N 3.43Å; N208-T246 PolarHBondContact OD1-O 3.39Å
247Y97.6Very high90Very high32 Ų3276.1 Ų76.113%0.12541%0.409CS..EExtended strand (participates in β ladder)trans-87.8111177.3-79.1-87.1000112W205 C207 G219 V221 P229 W235 W236 H239W205-Y247 HydrophobicContact CB-CD1 4.01Å; C207-Y247 HydrophobicContact CB-CD1 3.92Å; C207-Y247 HydrophobicContact CB-CD2 4.44Å; C207-Y247 HydrophobicContact CB-CE1 3.69Å; C207-Y247 HydrophobicContact CB-CE2 4.25Å; C207-Y247 HydrophobicContact CB-CG 4.3Å; G219-Y247 WeakPolarHBondContact O-CE1 3.25Å; V221-Y247 HydrophobicContact CB-CE1 4.26Å; V221-Y247 HydrophobicContact CG2-CD1 4.31Å; V221-Y247 HydrophobicContact CG2-CE1 3.55Å; P229-Y247 HydrophobicContact CB-CD1 4.37Å; P229-Y247 HydrophobicContact CB-CD2 3.57Å; P229-Y247 HydrophobicContact CB-CE2 4.03Å; P229-Y247 HydrophobicContact CB-CG 3.75Å; P229-Y247 HydrophobicContact CG-CD1 3.84Å; P229-Y247 HydrophobicContact CG-CD2 3.97Å; P229-Y247 HydrophobicContact CG-CE1 4.34Å; P229-Y247 HydrophobicContact CG-CE2 4.44Å; P229-Y247 HydrophobicContact CG-CG 3.62Å; W235-Y247 AromaticContact CH2-CE2 3.96Å; W235-Y247 HydrophobicContact CH2-CE2 3.96Å; W235-Y247 AromaticContact CH2-CZ 3.9Å; W235-Y247 AromaticContact CZ3-CE2 3.89Å; W235-Y247 HydrophobicContact CZ3-CE2 3.89Å; W235-Y247 AromaticContact CZ3-CZ 4Å; W236-Y247 HydrophobicContact CH2-CD2 4.49Å; W236-Y247 AromaticContact CZ3-CD2 3.86Å; W236-Y247 HydrophobicContact CZ3-CD2 3.86Å; W236-Y247 HydrophobicContact CZ3-CE2 4.14Å; H239-Y247 AromaticContact CE1-CE2 3.4Å; H239-Y247 VanDerWaalsContact CE1-CE2 3.4Å; H239-Y247 WeakPolarHBondContact CE1-CE2 3.28Å; H239-Y247 AromaticContact ND1-CE2 3.7Å; H239-Y247 AromaticContact NE2-CE2 3.65Å; H239-Y247 AromaticContact NE2-CZ 3.86Å
248T95.8Very high88.3Confident76 Ų7681.3 Ų81.347%0.46643%0.43SS..EExtended strand (participates in β ladder)trans-90149170.958.60000110.3W205 R206W205-T248 CarbonylContact C-O 3.52Å; W205-T248 WeakPolarHBondContact CA-O 3.15Å; W205-T248 WeakPolarHBondContact CB-O 3.41Å; R206-T248 PolarHBondContact N-O 3.35Å; R206-T248 PolarHBondContact O-N 3.01Å; R206-T248 PolarHBondContact O-OG1 2.92Å
249K96.3Very high86.3Confident74 Ų7486.6 Ų86.632%0.32245%0.449SS..EExtended strand (participates in β ladder)trans-80.7130.4177.2-160.6-176.8-168.8-173.60109.3N226 E252N226-K249 VanDerWaalsContact OD1-CE 3.23Å; N226-K249 WeakPolarHBondContact OD1-CE 3.33Å; N226-K249 PolarHBondContact OD1-NZ 3.41Å; K249-E252 IonicContact NZ-OE2 3.9Å; K249-E252 PolarHBondContact NZ-OE2 3.21Å
250V94.9Very high83.9Confident76 Ų7693 Ų9346%0.46148%0.483SS..EExtended strand (participates in β ladder)trans-125.7-11.1-174.7-59.40000114.2W204 R206 Y220W204-V250 HydrophobicContact CB-CG2 3.86Å; W204-V250 PolarHBondContact O-N 3.39Å; R206-V250 HydrophobicContact CB-CG1 3.79Å; R206-V250 HydrophobicContact CB-CG2 4.1Å; Y220-V250 HydrophobicContact CE1-CG2 4.3Å
251K92.4Very high81.6Confident96 Ų9696.1 Ų96.142%0.41750%0.501SS..EExtended strand (participates in β ladder)trans-146.6144.6169.5-164.1-176.8179.2-178.50110.8H203 W204H203-K251 WeakPolarHBondContact CA-O 3.45Å; W204-K251 HydrophobicContact CB-CB 3.66Å; W204-K251 HydrophobicContact CD2-CB 3.97Å; W204-K251 HydrophobicContact CD2-CD 3.68Å; W204-K251 HydrophobicContact CD2-CG 4.47Å; W204-K251 HydrophobicContact CE3-CB 4.25Å; W204-K251 HydrophobicContact CE3-CD 4.03Å; W204-K251 HydrophobicContact CG-CB 3.72Å; W204-K251 HydrophobicContact CG-CD 4.08Å; W204-K251 HydrophobicContact CH2-CD 4.39Å; W204-K251 HydrophobicContact CZ2-CD 4.06Å; W204-K251 HydrophobicContact CZ3-CD 4.37Å; W204-K251 PolarHBondContact N-O 3.36Å; W204-K251 PolarHBondContact O-N 2.98Å
252E90.9Very high78.9Confident95 Ų9597.3 Ų97.344%0.44451%0.511SS..  trans-144.9164.9164.669.1-171.715700111K249 Y256K249-E252 IonicContact NZ-OE2 3.9Å; K249-E252 PolarHBondContact NZ-OE2 3.21Å; E252-Y256 WeakPolarHBondContact OE2-CD1 3.33Å
253P86.2Confident76.2Confident29 Ų2999.5 Ų99.519%0.18852%0.522CS..  trans-62.1146.3175.5-16.728000111.4Q202 H203 G255 Y256Q202-P253 HydrophobicContact CB-CG 3.88Å; H203-P253 WeakPolarHBondContact CE1-CD 3.41Å; H203-P253 WeakPolarHBondContact ND1-CD 3.11Å; P253-G255 PolarHBondContact O-N 2.83Å; P253-Y256 HydrophobicContact CG-CD2 4.4Å; P253-Y256 WeakPolarHBondContact O-CB 3.38Å; P253-Y256 PolarHBondContact O-N 2.72Å
254E81.3Confident73.2Confident198 Ų198104.3 Ų104.393%0.92556%0.555SS**THydrogen-bonded Turntrans-63.1138.5178.2-168.7170.2174.900111.5Y256E254-Y256 PolarHBondContact O-N 3.05Å
255G70.6Confident70.5Confident40 Ų40109.1 Ų109.141%0.41256%0.564SS.*THydrogen-bonded Turntrans74.9-7.1-176.900000115.6P253 G257 K258P253-G255 PolarHBondContact O-N 2.83Å; G255-G257 PolarHBondContact O-N 2.85Å; G255-K258 PolarHBondContact O-N 2.61Å
256Y62.8Low67.5Low107 Ų107117.8 Ų117.842%0.4260%0.598SS.*THydrogen-bonded Turntrans-55.9136175.6-167.7-93.9000110.9H203 N226 E252 P253 E254 K258H203-Y256 AromaticContact CE1-CE2 3.9Å; H203-Y256 AromaticContact CE1-CZ 3.9Å; N226-Y256 HydrophobicContact CB-CE1 4.21Å; N226-Y256 VanDerWaalsContact CB-OH 3.22Å; N226-Y256 WeakPolarHBondContact CB-OH 3.4Å; N226-Y256 WeakPolarHBondContact ND2-CE1 3.48Å; N226-Y256 PolarHBondContact ND2-OH 2.86Å; N226-Y256 VanDerWaalsContact ND2-OH 3.16Å; E252-Y256 WeakPolarHBondContact OE2-CD1 3.33Å; P253-Y256 HydrophobicContact CG-CD2 4.4Å; P253-Y256 WeakPolarHBondContact O-CB 3.38Å; P253-Y256 PolarHBondContact O-N 2.72Å; E254-Y256 PolarHBondContact O-N 3.05Å; Y256-K258 PolarHBondContact O-N 2.83Å
257G60.9Low64.6Low54 Ų54122.5 Ų122.556%0.55761%0.611SS**THydrogen-bonded Turntrans85.2-19.1-178.500000116.8G255 K259 N260G255-G257 PolarHBondContact O-N 2.85Å; G257-K259 PolarHBondContact O-N 2.88Å; G257-K259 VanDerWaalsContact O-N 3.12Å; G257-N260 PolarHBondContact O-N 2.97Å
258K60.4Low61.5Low173 Ų173127 Ų12775%0.75264%0.642SS**THydrogen-bonded Turntrans-63.5-20-176.5-69.2-175.4-179.1175.30114.9G255 Y256G255-K258 PolarHBondContact O-N 2.61Å; Y256-K258 PolarHBondContact O-N 2.83Å
259K53.6Low58.5Low207 Ų207128.4 Ų128.490%0.966%0.661SS**THydrogen-bonded Turntrans-78.1-22.5-177.4-81.1-170.9172.6-1770116.1G257G257-K259 PolarHBondContact O-N 2.88Å; G257-K259 VanDerWaalsContact O-N 3.12Å
260N46.5Very low55.3Low151 Ų151128.8 Ų128.881%0.80769%0.686SS**SBendtrans-113.16.1-170.6-78.422.4000115.2G257 K262G257-N260 PolarHBondContact O-N 2.97Å; N260-K262 PolarHBondContact O-N 3.04Å
261K47.5Very low52.2Low192 Ų192133.6 Ų133.684%0.83571%0.709SS**  trans-83.756.2178.7-157.6-178.4-179.1-1760112.6
262K39.9Very low49.2Very low205 Ų205132.5 Ų132.589%0.89173%0.725SS**  trans-78.9119.9161.1-113.3-174178-1760108.3N260N260-K262 PolarHBondContact O-N 3.04Å
263T40.3Very low46.4Very low111 Ų111136.8 Ų136.868%0.68174%0.742SS**  trans-49.1126.8-167.4-46.10000114.8E265T263-E265 HydrophobicContact CG2-CB 4.09Å; T263-E265 HydrophobicContact CG2-CG 3.68Å
264S32.7Very low44.2Very low117 Ų117141.1 Ų141.182%0.81877%0.77SS**  trans-116.764.4163.653.70000110.8K266S264-K266 PolarHBondContact O-N 3.49Å
265E37.8Very low41.8Very low155 Ų155136 Ų13672%0.72476%0.756SS**  trans-68103.7170.7-86.3-179.8-169.200110T263 K267T263-E265 HydrophobicContact CG2-CB 4.09Å; T263-E265 HydrophobicContact CG2-CG 3.68Å; E265-K267 PolarHBondContact O-N 2.93Å
266K33.3Very low40Very low194 Ų194143.5 Ų143.584%0.84378%0.78SS**  trans-77.180-176.9-171.8-177.6177.7-1780111.1S264S264-K266 PolarHBondContact O-N 3.49Å
267K34Very low38.5Very low191 Ų191144.2 Ų144.283%0.8380%0.796SS**  trans-76.7132.1164.1-72-173177.9179.70110.2E265E265-K267 PolarHBondContact O-N 2.93Å
268T34Very low37.1Very low127 Ų127148.3 Ų148.378%0.77981%0.81SS**  trans-96.2116.4179.842.10000111.7
269A31.8Very low35.9Very low105 Ų105149.7 Ų149.787%0.86882%0.816SS**  trans-169.7157.9158.100000110.8
270G29.5Very low34.7Very low82 Ų82144.4 Ų144.485%0.84581%0.811SS**  trans91.3113.6156.800000117.2
271N30.8Very low34.2Very low177 Ų177143.7 Ų143.795%0.94782%0.818SS**  trans-97.9139.9162.6176.631.4000109.2
272G29.6Very low33.4Very low73 Ų73137.8 Ų137.875%0.75381%0.811SS**  trans173.5121.9176.400000115.4
273K32Very low33.8Very low185 Ų185133.8 Ų133.880%0.80481%0.81SS**  trans-114.6158.5159.3-124.9-167.6176.3-171.70106.4
274P38.7Very low34Very low120 Ų120137.5 Ų137.578%0.77982%0.819SS**  cis-107.5167.137.34.819.4000112.5
275S30.5Very low34.4Very low91 Ų91138.1 Ų138.164%0.63681%0.813SS**  cis78.789.137.6-167.30000115.7
276E32.7Very low35.1Very low196 Ų196138.6 Ų138.692%0.91682%0.819SS**  trans-153.3179.1144.9-136175.3-148.100112.7
277T31.3Very low36.1Very low123 Ų123139.6 Ų139.676%0.75582%0.817SS**  trans-130.4123-155.2-53.90000113.4
278V33.2Very low36.6Very low139 Ų139138 Ų13884%0.84282%0.818SS**  trans-138.7129.6161.6-177.90000110.2
279K33.9Very low37.4Very low202 Ų202138.3 Ų138.388%0.87882%0.82SS**  trans-89.5131.9162.8-70178179175.40108.5
280A29.8Very low38.4Very low97 Ų97140.6 Ų140.680%0.80282%0.815SS**  trans-135.3120165.400000109.6
281S34Very low39.3Very low135 Ų135141.8 Ų141.894%0.94481%0.808SS**  trans-88141.5162.5-172.90000108
282G31.8Very low39.6Very low68 Ų68142.2 Ų142.270%0.70180%0.802SS**  trans-163.7121-178.700000111.5
283S47.3Very low40.6Very low122 Ų122144.8 Ų144.885%0.85381%0.809SS**  trans-68.2156.6173.342.90000111.6
284Q45.9Very low41Very low188 Ų188137.8 Ų137.888%0.87979%0.789SS**  trans-118.8134.9162.7-69.7-164.9-14.600109.8
285D40.9Very low41.5Very low131 Ų131143.9 Ų143.970%0.70180%0.796SS**  trans-74.7149.1-176.9-170.6-4.9000111.1R287D285-R287 PolarHBondContact OD1-N 3.28Å
286I52.2Low41.9Very low164 Ų164142.9 Ų142.984%0.84180%0.8SS**SBendtrans-88.1-8.1-174.3-69.8172.6000111.7N288I286-N288 VanDerWaalsContact C-N 3.33Å; I286-N288 PolarHBondContact O-N 2.84Å
287R54.7Low42.2Very low215 Ų215143.1 Ų143.181%0.81180%0.799SS**  trans-83.442.1-170.3-67.4-178.8171-173.1-0.9116.7D285D285-R287 PolarHBondContact OD1-N 3.28Å
288N44.8Very low42.7Very low157 Ų157145.7 Ų145.784%0.8481%0.807SS**  trans-112.584.9168.5-105.2-23.6000111.4I286I286-N288 VanDerWaalsContact C-N 3.33Å; I286-N288 PolarHBondContact O-N 2.84Å
289V49.9Very low42.8Very low135 Ų135147.5 Ų147.582%0.81881%0.811SS**PPolyproline II helixtrans-71.4130.9173.9179.80000109.7P291V289-P291 WeakPolarHBondContact O-CD 3.42Å
290I52.8Low42.8Very low152 Ų152141.8 Ų141.878%0.77981%0.81SS**PPolyproline II helixtrans-74.8121.5179.3-57.7170000109.2F292I290-F292 PolarHBondContact O-N 2.92Å
291P47.6Very low43Very low107 Ų107140.8 Ų140.870%0.69581%0.808SS**PPolyproline II helixtrans-68.9131.7174.927.5-33.2000111.1V289 S293V289-P291 WeakPolarHBondContact O-CD 3.42Å; P291-S293 PolarHBondContact O-N 3.29Å
292F38.2Very low43Very low187 Ų187144 Ų14482%0.8281%0.806SS**  trans-79.6100.5-177174.4-100.3000111.5I290 G294I290-F292 PolarHBondContact O-N 2.92Å; F292-G294 PolarHBondContact O-N 2.9Å
293S50.1Low43.3Very low127 Ų127145.6 Ų145.689%0.88881%0.806SS**  trans-78.542.4177.9-590000114.1P291P291-S293 PolarHBondContact O-N 3.29Å
294G40.6Very low42.8Very low38 Ų38148.7 Ų148.739%0.39281%0.807SS.*  trans-94.3119.2175.800000112.3F292 G296F292-G294 PolarHBondContact O-N 2.9Å; G294-G296 PolarHBondContact O-N 2.92Å; G294-G296 VanDerWaalsContact O-N 3.11Å
295R49.9Very low42.3Very low247 Ų247146.6 Ų146.693%0.93280%0.8SS**  trans-7594.4169-80.6-179.2169.4162.4-4.1110
296G39.3Very low41.9Very low70 Ų70145 Ų14572%0.72280%0.8SS**PPolyproline II helixtrans-69.2144.1168.100000111.8G294G294-G296 PolarHBondContact O-N 2.92Å; G294-G296 VanDerWaalsContact O-N 3.11Å
297F39.1Very low41Very low201 Ų201142.4 Ų142.488%0.88280%0.795SS**PPolyproline II helixtrans-88.9132.4170.2-83.4-104.6000109.9
298L41.1Very low40.1Very low177 Ų177137.3 Ų137.393%0.92779%0.793SS**PPolyproline II helixtrans-101.8118.8171.9-79.1162.5000109.3
299L34.3Very low39.6Very low178 Ų178135.4 Ų135.493%0.93279%0.792SS**  trans-102.6112.4174.7-72.6169.4000109.6
300G35.4Very low38.8Very low82 Ų82134.4 Ų134.485%0.84579%0.791SS**  trans139.488.9169.200000115.5
301G33.9Very low38.7Very low75 Ų75132.9 Ų132.977%0.77379%0.791SS**  trans-149.6134.6164.400000109.3
302K34.1Very low38Very low204 Ų204132.8 Ų132.889%0.88779%0.793SS**  trans-98.4159.7-178.5-91.479.9174-170.30112
303S37.4Very low37.7Very low101 Ų101135.9 Ų135.971%0.70680%0.799SS**  trans-67.2150.8-162.9-38.90000117
304Q37.7Very low37Very low186 Ų186135 Ų13587%0.86979%0.793SS**  trans-143.3162.5138.9-85.1-49.9-46.900110.7
305I34.2Very low37.7Very low144 Ų144138.9 Ų138.974%0.73881%0.811SS**  trans-128.3137.1-170.2-51.8165.7000106.8
306S33.3Very low37Very low99 Ų99132.5 Ų132.569%0.69280%0.804SS**  172158.395.4-58.20000112.6
307S33.5Very low36.9Very low108 Ų108135.3 Ų135.376%0.75581%0.807SS**  trans18148.5143.8600000122.7
308S35.5Very low37.5Very low109 Ų109131.1 Ų131.176%0.76280%0.8SS**  cis-177.9-172.5-656.20000111.4
309S33.3Very low37.4Very low117 Ų117127.9 Ų127.982%0.81879%0.793SS**  trans101.2147.9163.1800000119.2
310S34.4Very low37.6Very low114 Ų114124.8 Ų124.880%0.79779%0.785SS**  trans-143.9159.9-171.8-47.10000110.6
311P49.9Very low37.8Very low119 Ų119126 Ų12677%0.77378%0.782SS**  -142.7145.110930.4-13.4000112.5
312S32.5Very low37.8Very low105 Ų105126.9 Ų126.973%0.73478%0.775SS**  cis87.5107.240.882.70000115.9
313R32.4Very low37.7Very low252 Ų252122 Ų12295%0.95177%0.767SS**  trans-176.5139.3145.7-108.9167.1171-96.4-2.8114.6
314S34.4Very low37.5Very low108 Ų108123.5 Ų123.576%0.75577%0.772SS**  trans-152.4177163.768.70000106.7
315P56.9Low37.3Very low120 Ų120120.4 Ų120.478%0.77977%0.77SS**  -140.1-153.55736.2-10.7000111.4
316S33.7Very low37.3Very low113 Ų113118.9 Ų118.979%0.7977%0.773SS**  cis-156.1174.417.748.10000115.2
317V38.4Very low37.9Very low129 Ų129119.8 Ų119.878%0.78278%0.776SS**  trans-111.7173.4-162.2-135.80000113.5
318P52.2Low37.7Very low114 Ų114121.9 Ų121.974%0.7478%0.784SS**  -137.2-174.286.413.611.3000113.6
319S37Very low37.6Very low109 Ų109127.5 Ų127.576%0.76279%0.788SS**  cis168171.9-26.7-76.60000106.4
320S39.3Very low37.4Very low112 Ų112127.8 Ų127.878%0.78379%0.79SS**  cis180153.3-22.150.60000106.1
321S39.4Very low37Very low109 Ų109125.2 Ų125.276%0.76278%0.782SS**  cis-141.2-128.1-2.240.90000107.5
322S33.6Very low36.1Very low92 Ų92127.8 Ų127.864%0.64379%0.788SS**  cis-172.5144.7-15.924.90000106.2
323S33.7Very low36.2Very low102 Ų102126.9 Ų126.971%0.71378%0.782SS**  cis96.3123.721.4730000115.5
324V33.1Very low36.1Very low132 Ų132122 Ų12280%0.878%0.775SS**  cis-164.2162.6-7.5-92.80000111.9
325S33Very low36.2Very low121 Ų121125 Ų12585%0.84678%0.777SS**  trans78.7151.8152-62.90000123.3
326S34.1Very low35Very low112 Ų112124.8 Ų124.878%0.78377%0.774SS**  trans-95.6167.5173.7-40.20000112.6
327P46.3Very low34.9Very low119 Ų119127.3 Ų127.377%0.77378%0.778SS**  -158.1160108.339-20.1000119.6
328V29Very low34.6Very low151 Ų151126.2 Ų126.292%0.91578%0.777SS**  trans74.6168.4141.41690000120.8
329R33.6Very low33.7Very low227 Ų227128.4 Ų128.486%0.85778%0.78SS**  trans-108.4172-156.1-75.8173.7146.8-154.7-1.5115.2
330S28.2Very low33.5Very low123 Ų123128.8 Ų128.886%0.8678%0.783SS**  trans99.3142.9153-49.70000115.4
331G26.4Very low33.2Very low60 Ų60131.5 Ų131.562%0.61979%0.789SS**  cis161.2154.2-6.500000111.7
332L31.6Very low32.9Very low173 Ų173131.4 Ų131.491%0.90680%0.795SS**  trans66.6156-178-71.484.4000115.2
333S33Very low32.9Very low87 Ų87136.3 Ų136.361%0.60880%0.799SS**  cis-166.3134.9-21.550.50000112.6
334D31.6Very low33.5Very low150 Ų150137.1 Ų137.180%0.80280%0.802SS**  trans61.8163.1137.3-74.2-61000125.5
335Q35.7Very low33.5Very low171 Ų171133.5 Ų133.580%0.79978%0.783SS**  trans70.8100.4165.8-74.3-178.4100.700117.7
336T32.6Very low33.6Very low114 Ų114137.6 Ų137.670%0.69979%0.785SS**  87.3121.766.255.90000114.6
337N31.6Very low33.5Very low166 Ų166135.6 Ų135.689%0.88878%0.782SS**  -171.9170.1127.8-106.6-40.7000114.8
338S30.7Very low33.1Very low107 Ų107136.8 Ų136.875%0.74879%0.787SS**  trans-121.4-176.1179.6-65.70000109.5
339I34.2Very low33.4Very low160 Ų160138.9 Ų138.982%0.82178%0.784SS**  cis-149.8153.615.4-29.1161.9000109.2
340S33.1Very low33.8Very low117 Ų117133.7 Ų133.782%0.81878%0.78SS**  trans-160.9159.9161.7-83.50000112.5
341N33Very low34.5Very low169 Ų169133.9 Ų133.990%0.90478%0.778SS**  trans-129.9143.5172.2-80.6-33.8000110.2
342A32.5Very low35.1Very low107 Ų107135.2 Ų135.288%0.88478%0.784SS**  trans-161.4139.1146.300000110.8
343R34.9Very low35.4Very low194 Ų194137.1 Ų137.173%0.73279%0.785SS**  trans-152.8136172.4-175-179.1-179.5-86.4-12.5109.8S345R343-S345 PolarHBondContact NH1-OG 2.81Å; R343-S345 PolarHBondContact NH2-OG 3Å
344P44.5Very low35.7Very low120 Ų120143.3 Ų143.378%0.77979%0.794SS**  -118.4171.1124-9.128.6000114.6
345S34Very low36.3Very low56 Ų56141.7 Ų141.739%0.39280%0.795SS.*  trans-57.4164.4164.4-72.10000111.8R343R343-S345 PolarHBondContact NH1-OG 2.81Å; R343-S345 PolarHBondContact NH2-OG 3Å
346F34.2Very low36.6Very low206 Ų206139.5 Ų139.590%0.90479%0.793SS**  cis-149.316637-64.5-99.3000114.1
347G33.4Very low36.9Very low70 Ų70136.9 Ų136.972%0.72279%0.789SS**  trans105.3127.4148.300000117.9
348V36.5Very low37.5Very low145 Ų145133.5 Ų133.588%0.87977%0.771SS**  trans56.2113.7154.2-167.30000118.6
349K36.4Very low38.7Very low194 Ų194134 Ų13484%0.84377%0.77SS**PPolyproline II helixtrans-83.6139.2164.6-64.5177.9179.8177.50110.7
350P42.2Very low39.8Very low118 Ų118137.5 Ų137.577%0.76677%0.772SS**PPolyproline II helixtrans-71.7141.8166.430.5-33.7000110.9
351P42.7Very low40.7Very low127 Ų127134.5 Ų134.583%0.82575%0.749SS**PPolyproline II helixtrans-73.3131.6178.528.9-33.7000111.7
352A38.6Very low41.6Very low89 Ų89131.3 Ų131.374%0.73673%0.727SS**PPolyproline II helixtrans-66.4141.117800000112.2R354A352-R354 PolarHBondContact O-N 3.37Å
353K38.1Very low43.1Very low213 Ų213130 Ų13093%0.92671%0.708SS**  trans-65.398.1174.4-67.5179.3-179.7176.60110S355K353-S355 PolarHBondContact O-N 3.47Å; K353-S355 VanDerWaalsContact O-N 3.08Å
354R38.9Very low43.5Very low216 Ų216126.2 Ų126.282%0.81570%0.702SS**  trans-67.7103.9174.1-72.7177.665.9-172.31.4110.1A352 V356A352-R354 PolarHBondContact O-N 3.37Å; R354-V356 PolarHBondContact O-N 2.9Å
355S43.8Very low43.7Very low117 Ų117124.5 Ų124.582%0.81869%0.689SS**  trans-61.9127.5164-176.30000109.4K353K353-S355 PolarHBondContact O-N 3.47Å; K353-S355 VanDerWaalsContact O-N 3.08Å
356V43.3Very low44Very low124 Ų124129.6 Ų129.675%0.75271%0.712SS**  trans-123.838.9179.8-72.10000111.7R354 N358R354-V356 PolarHBondContact O-N 2.9Å; V356-N358 PolarHBondContact O-N 3.33Å
357G37.6Very low44.7Very low59 Ų59123 Ų12361%0.60870%0.703SS**  trans-8576.9170.600000112.6T359G357-T359 VanDerWaalsContact C-N 3.34Å; G357-T359 PolarHBondContact O-N 2.83Å; G357-T359 VanDerWaalsContact O-N 3.14Å
358N45.6Very low44.8Very low96 Ų96123.3 Ų123.351%0.51369%0.693SS.*  trans-82.482.8166.6-173.60.9000110.4V356 R360 V361V356-N358 PolarHBondContact O-N 3.33Å; N358-R360 PolarHBondContact O-N 2.86Å; N358-R360 WeakPolarHBondContact OD1-CB 3.21Å; N358-R360 PolarHBondContact OD1-N 2.65Å; N358-V361 PolarHBondContact O-N 3.43Å
359T55.9Low45.4Very low118 Ų118120.7 Ų120.772%0.72468%0.679SS**THydrogen-bonded Turntrans-63.5-4.3179.241.50000114.8G357 V361G357-T359 VanDerWaalsContact C-N 3.34Å; G357-T359 PolarHBondContact O-N 2.83Å; G357-T359 VanDerWaalsContact O-N 3.14Å; T359-V361 VanDerWaalsContact C-N 3.31Å
360R55.9Low46.2Very low232 Ų232115.5 Ų115.588%0.87566%0.664SS**THydrogen-bonded Turntrans-81.3-3.7175-56.6-172.8179.9-167.90.1114.2N358N358-R360 PolarHBondContact O-N 2.86Å; N358-R360 WeakPolarHBondContact OD1-CB 3.21Å; N358-R360 PolarHBondContact OD1-N 2.65Å
361V52.9Low46.9Very low55 Ų55117.1 Ų117.133%0.33366%0.659SS.*THydrogen-bonded Turntrans-134.9-27.4-175.4-170.60000113.4N358 T359 V372N358-V361 PolarHBondContact O-N 3.43Å; T359-V361 VanDerWaalsContact C-N 3.31Å; V361-V372 PolarHBondContact O-N 3.11Å
362F51.6Low47.5Very low102 Ų102114.5 Ų114.545%0.44764%0.64SS.*EExtended strand (participates in β ladder)trans-133.6144.8-177.7-60.5-87.7000111.5V370 K371F362-V370 VanDerWaalsContact CA-O 3.28Å; F362-V370 WeakPolarHBondContact CA-O 3.5Å; F362-K371 HydrophobicContact CD1-CB 4.05Å; F362-K371 HydrophobicContact CD1-CG 4.48Å; F362-K371 HydrophobicContact CE1-CB 3.83Å; F362-K371 HydrophobicContact CE1-CG 4.07Å
363V64.7Low48Very low79 Ų79115.7 Ų115.748%0.47964%0.641SS.*EExtended strand (participates in β ladder)trans-120.9136169.71780000108V365 V370 V372V363-V365 HydrophobicContact CG1-CG2 4.32Å; V363-V370 PolarHBondContact N-O 2.94Å; V363-V370 PolarHBondContact O-N 2.75Å; V363-V372 HydrophobicContact CG2-CG2 3.83Å
364N43.8Very low48.3Very low114 Ų114113.7 Ų113.761%0.6163%0.632SS**EExtended strand (participates in β ladder)trans-87.8119173.7-85.725.4000109.6
365V47.3Very low48.4Very low84 Ų84109.1 Ų109.151%0.50963%0.633SS.*EExtended strand (participates in β ladder)trans-118.9131.5166.6-176.60000107V363 G367 S368V363-V365 HydrophobicContact CG1-CG2 4.32Å; V365-G367 PolarHBondContact O-N 3.32Å; V365-G367 VanDerWaalsContact O-N 3.08Å; V365-S368 PolarHBondContact N-O 3.31Å; V365-S368 PolarHBondContact O-N 3.08Å; V365-S368 VanDerWaalsContact O-N 3.11Å
366N40.4Very low48Very low164 Ų164110.5 Ų110.588%0.87763%0.627SS**THydrogen-bonded Turntrans49.138.6179.2-58.7-18.1000114.3S368N366-S368 VanDerWaalsContact C-N 3.29Å; N366-S368 PolarHBondContact O-N 3.22Å
367G49.8Very low47.9Very low68 Ų68108.1 Ų108.170%0.70163%0.627SS**THydrogen-bonded Turntrans78.1-1.1176.100000116.3V365V365-G367 PolarHBondContact O-N 3.32Å; V365-G367 VanDerWaalsContact O-N 3.08Å
368S35.5Very low47.8Very low75 Ų75113.9 Ų113.952%0.52464%0.638SS.*EExtended strand (participates in β ladder)trans-108.7137175.4-66.90000111.6V365 N366 V370V365-S368 PolarHBondContact N-O 3.31Å; V365-S368 PolarHBondContact O-N 3.08Å; V365-S368 VanDerWaalsContact O-N 3.11Å; N366-S368 VanDerWaalsContact C-N 3.29Å; N366-S368 PolarHBondContact O-N 3.22Å; S368-V370 PolarHBondContact O-N 3.47Å
369P48Very low47.9Very low90 Ų90121.2 Ų121.258%0.58466%0.659SS**EExtended strand (participates in β ladder)trans-79.6118.5179.230.5-33000111.3
370V52.8Low46.8Very low85 Ų85124.3 Ų124.352%0.51567%0.667SS.*EExtended strand (participates in β ladder)trans-106.2138.7176.2-176.80000109.5F362 V363 S368F362-V370 VanDerWaalsContact CA-O 3.28Å; F362-V370 WeakPolarHBondContact CA-O 3.5Å; V363-V370 PolarHBondContact N-O 2.94Å; V363-V370 PolarHBondContact O-N 2.75Å; S368-V370 PolarHBondContact O-N 3.47Å
371K58Low46Very low152 Ų152124.3 Ų124.366%0.66167%0.667SS**EExtended strand (participates in β ladder)trans-83.4130.6-178.4-172.1-176.1177.8-172.90110.4F362F362-K371 HydrophobicContact CD1-CB 4.05Å; F362-K371 HydrophobicContact CD1-CG 4.48Å; F362-K371 HydrophobicContact CE1-CB 3.83Å; F362-K371 HydrophobicContact CE1-CG 4.07Å
372V55.7Low45.4Very low72 Ų72131.4 Ų131.444%0.43670%0.696SS.*PPolyproline II helixtrans-73.5131.9-179.1-174.20000110.8V361 V363V361-V372 PolarHBondContact O-N 3.11Å; V363-V372 HydrophobicContact CG2-CG2 3.83Å
373P48.1Very low44.6Very low115 Ų115130.8 Ų130.875%0.74771%0.71SS**PPolyproline II helixtrans-63.5136.3170-21.433.8000111.7S375P373-S375 PolarHBondContact O-N 3.05Å
374K43.9Very low43.9Very low171 Ų171130.6 Ų130.674%0.74371%0.712SS**  trans-88.291.2-173.6-165-168.7-177.4-1490111.4Q376K374-Q376 PolarHBondContact O-N 3.41Å
375S40.9Very low44.1Very low120 Ų120131.8 Ų131.884%0.83972%0.717SS**  trans-70.986.2172.1430000111.6P373 G377P373-S375 PolarHBondContact O-N 3.05Å; S375-G377 PolarHBondContact O-N 3.24Å
376Q36.6Very low44.1Very low146 Ų146134.4 Ų134.468%0.68272%0.724SS**  trans-82.879.9-179.8-172.4162.8-3100111.9K374K374-Q376 PolarHBondContact O-N 3.41Å
377G40.5Very low44.5Very low73 Ų73132.2 Ų132.275%0.75371%0.712SS**  trans-94.382169.300000112.2S375S375-G377 PolarHBondContact O-N 3.24Å
378E36.3Very low44.3Very low180 Ų180136.1 Ų136.184%0.84172%0.716SS**  trans-130.4147.6165.3-75.1-148.6112.900111.7M380E378-M380 PolarHBondContact O-N 3.05Å
379R46.4Very low44.8Very low251 Ų251141.3 Ų141.395%0.94773%0.73SS**  trans-80.1104.8-169-66.7170.2172.2160.2-5.5111.6
380M33.9Very low44.7Very low183 Ų183144.1 Ų144.190%0.90174%0.74SS**  trans-82.4115164.5-169.5136.6-7600110E378E378-M380 PolarHBondContact O-N 3.05Å
381R39.5Very low44.1Very low232 Ų232145.1 Ų145.188%0.87575%0.75SS**PPolyproline II helixtrans-69149.7168.6-71.1-179170.7-169.6-3.5109.5A383R381-A383 PolarHBondContact O-N 2.97Å
382Q38.7Very low42.9Very low203 Ų203142.5 Ų142.595%0.94976%0.758SS**PPolyproline II helixtrans-64.8126.9165.9-69.7170.5-50.800109.1
383A35.8Very low41.7Very low89 Ų89145.4 Ų145.474%0.73678%0.776SS**PPolyproline II helixtrans-86.3143.116700000109.3R381R381-A383 PolarHBondContact O-N 2.97Å
384S50.1Low41.1Very low75 Ų75146.5 Ų146.552%0.52477%0.773SS.*PPolyproline II helixtrans-84.8153.6176.7-170.60000110.9Q386 D387S384-Q386 PolarHBondContact O-N 3.04Å; S384-Q386 VanDerWaalsContact O-N 3.12Å; S384-D387 PolarHBondContact O-N 3.25Å
385I48.3Very low40.6Very low140 Ų140150.1 Ų150.172%0.71878%0.783SS**G310 helixtrans-63.3-19.5-179.2-65.2174.3000111.8D387I385-D387 VanDerWaalsContact C-N 3.35Å; I385-D387 PolarHBondContact O-N 3.12Å
386Q46.2Very low40.3Very low138 Ų138152.9 Ų152.965%0.64578%0.779SS**G310 helixtrans-63.7-29177.9-118.467.924.600115.2S384 L388S384-Q386 PolarHBondContact O-N 3.04Å; S384-Q386 VanDerWaalsContact O-N 3.12Å; Q386-L388 VanDerWaalsContact C-N 3.29Å; Q386-L388 PolarHBondContact O-N 2.97Å
387D49.7Very low40Very low118 Ų118151.8 Ų151.863%0.63179%0.788SS**G310 helixtrans-78.7-8.3-170.4-70.7-40.2000114.1S384 I385S384-D387 PolarHBondContact O-N 3.25Å; I385-D387 VanDerWaalsContact C-N 3.35Å; I385-D387 PolarHBondContact O-N 3.12Å
388L46.1Very low39.5Very low150 Ų150150.3 Ų150.379%0.78577%0.773SS**G310 helixtrans-85.1-6.9-179.4-76.4169.8000114.8Q386Q386-L388 VanDerWaalsContact C-N 3.29Å; Q386-L388 PolarHBondContact O-N 2.97Å
389F44.7Very low39.2Very low185 Ų185149.5 Ų149.581%0.81177%0.769SS**SBendtrans-112-5.1-170.1-95.6-84000116.4
390N47Very low38.4Very low148 Ų148143.9 Ų143.979%0.79176%0.763SS**SBendtrans-11416.5-165.5-80.9-29.1000116.2
391S39Very low38.4Very low106 Ų106140.2 Ų140.274%0.74175%0.751SS**SBendtrans-138.343.8-167.450.40000116
392A32.9Very low38Very low98 Ų98136.6 Ų136.681%0.8174%0.744SS**  trans-14433.5178.700000116.9
393T32Very low37.6Very low133 Ų133132.4 Ų132.482%0.81673%0.732SS**  trans-127.593.3-179.2-46.80000115.2
394I34.9Very low37.2Very low137 Ų137133.2 Ų133.270%0.70373%0.732SS**  trans49.4111.7141.3-53.8179000119.8K396I394-K396 HydrophobicContact CG2-CB 3.91Å
395R33.8Very low37.1Very low248 Ų248134.8 Ų134.894%0.93674%0.741SS**  -140.8136109.4-55.8-170.6-174.6-167.60.2106
396K33.2Very low36.2Very low177 Ų177133.1 Ų133.177%0.7774%0.742SS**  cis77.579.522.7-154-161.1175.3-173.10116.9I394I394-K396 HydrophobicContact CG2-CB 3.91Å
397S30.7Very low35.5Very low123 Ų123131.2 Ų131.286%0.8674%0.744SS**  -130.5155.8119.252.40000107.6
398G29.6Very low34.6Very low43 Ų43131.4 Ų131.444%0.44375%0.749SS.*  cis-166.4149.5-7.800000110.6
399E30.1Very low33.9Very low163 Ų163128.8 Ų128.876%0.76274%0.744SS**  trans65.2171.4160.3-68.353.284.700114.8
400T31.4Very low33.3Very low133 Ų133126.9 Ų126.982%0.81674%0.742SS**  cis-131.3-157.86.1-32.80000110.1
401T33.3Very low32.5Very low105 Ų105124.7 Ų124.764%0.64474%0.738SS**  trans-83.9166.4172.551.70000112
402E30.3Very low32.1Very low157 Ų157124.5 Ų124.573%0.73474%0.737SS**  cis-138.8158.421.7-63.5-69.2146.900110.4
403T29.7Very low32.1Very low114 Ų114127.6 Ų127.670%0.69974%0.739SS**  cis-164.5167.8-23.1-102.80000109.4
404S28.5Very low32.2Very low106 Ų106129.2 Ų129.274%0.74174%0.737SS**  trans-99.7-167.2-170.7-50.80000112
405P47.4Very low32Very low108 Ų108130 Ų13070%0.70174%0.742SS**  cis-142.7-172.70.637-13.9000117.7
406S30Very low31.8Very low105 Ų105123.4 Ų123.473%0.73473%0.734SS**  trans72.214515134.60000119.8
407S31Very low32.7Very low98 Ų98120.5 Ų120.569%0.68573%0.733SS**  cis-166.8169.4-9.947.20000112
408T30.7Very low32.7Very low122 Ų122123.2 Ų123.275%0.74874%0.737SS**  trans27138.8143.955.80000120.8
409S31.7Very low32.9Very low96 Ų96130.4 Ų130.467%0.67176%0.756SS**  cis-178.6161.37.543.90000112.5
410N31.7Very low34.1Very low145 Ų145127.9 Ų127.978%0.77575%0.754SS**  trans51.9111.9143.3-63.71000122.1
411S31.1Very low34Very low102 Ų102126.2 Ų126.271%0.71375%0.754SS**  85.2115.3120.8-57.30000122.7
412S30.9Very low34Very low102 Ų102125.6 Ų125.671%0.71376%0.759SS**  82.4113.3127.1-650000122.5
413L33.3Very low35Very low162 Ų162124.4 Ų124.485%0.84877%0.765SS**  trans65.4130.3141.5-49172.3000116.6
414Q32.1Very low35.4Very low168 Ų168123.9 Ų123.979%0.78577%0.772SS**  -164.1167.351.6-90.8-166.6-42.600114.4
415L31.1Very low35.4Very low153 Ų153122.8 Ų122.880%0.80178%0.778SS**  trans76.8160.5148.2-10368000121.6
416S31Very low34.6Very low110 Ų110121.6 Ų121.677%0.76979%0.785SS**  trans-124.1-154.6-161.7-38.80000110.2
417P50.3Low34.7Very low115 Ų115121.5 Ų121.575%0.74779%0.791SS**  -120167.6-67.534.4-19.8000112
418L31.1Very low34.8Very low181 Ų181120.8 Ų120.895%0.94879%0.791SS**  trans-138.6138.8171.2-78.3178.9000117.3
419K33.9Very low35.1Very low193 Ų193121.3 Ų121.384%0.83979%0.794SS**  trans-145.5173.5159.7-142.4-160.9174.8-175.20103.6
420P54.7Low35.7Very low110 Ų110122.2 Ų122.271%0.71480%0.798SS**  cis-127.3-174.4-15.943-28.5000112.8
421A29.9Very low35.7Very low99 Ų99120.7 Ų120.782%0.81880%0.798SS**  trans-170.8161139.800000112.3
422A34.4Very low35.9Very low92 Ų92124 Ų12476%0.7680%0.802SS**  trans-114.1-157.9159.500000107.1
423P50.5Low36.2Very low131 Ų131123.6 Ų123.685%0.85180%0.799SS**  cis-134.5-149.115.543.6-22.5000113.4
424A38.2Very low36.5Very low103 Ų103124.6 Ų124.685%0.85180%0.797SS**  trans-127.6162.5178.800000112.4
425G29Very low36.7Very low84 Ų84125.7 Ų125.787%0.86680%0.795SS**  trans152.1157.7175.900000112.1
426G30.8Very low36.6Very low82 Ų82127 Ų12785%0.84580%0.795SS**  trans-177.8167.617800000115.4
427A31.6Very low36.7Very low103 Ų103126.6 Ų126.685%0.85179%0.792SS**  trans-159.6135.6177.200000115.3
428A33.3Very low35.9Very low83 Ų83128.2 Ų128.269%0.68680%0.795SS**  trans45.4110.9140.300000125.8
429T36.4Very low36Very low134 Ų134125.4 Ų125.482%0.82279%0.79SS**  63.6168.4127.262.80000121.2
430P45.1Very low35.6Very low115 Ų115120 Ų12075%0.74779%0.788SS**  cis-143.3168.110.744-24.6000121
431S32Very low34.5Very low112 Ų112121.2 Ų121.278%0.78379%0.794SS**  trans57.4125.7140.9-1590000126.4
432Q34Very low34.5Very low172 Ų172124.9 Ų124.980%0.80479%0.794SS**  168.9118.9121.1-90.5-171.741.400111.7
433S37.6Very low34.3Very low93 Ų93128.4 Ų128.465%0.6580%0.8SS**  63.8134.596.596.30000116.3
434K39.4Very low33.2Very low184 Ų184125.6 Ų125.680%0.880%0.795SS**  cis-149.4145.633.6-88.1172.2-178.7173.40111.7
435Y35.8Very low32.6Very low190 Ų190124.7 Ų124.775%0.74580%0.795SS**  59.6137.886.6-87-77.4000115.9
436F30.8Very low32.8Very low181 Ų181130.2 Ų130.279%0.79480%0.799SS**  cis-143.5179.69.6-88.7-96.8000109
437S31.6Very low32.8Very low102 Ų102131.1 Ų131.171%0.71380%0.798SS**  cis-171.1175.3-40-84.70000111.2
438D33.3Very low32.8Very low149 Ų149131.3 Ų131.380%0.79779%0.793SS**  trans-88.6160.4-168.9-175.721.5000116.2
439S33.8Very low32.8Very low122 Ų122138.3 Ų138.385%0.85380%0.802SS**  trans175.1126.3145.8-79.70000113.4
440G26.1Very low32.7Very low78 Ų78141.4 Ų141.480%0.80480%0.804SS**  trans163.597.1164.500000116.5
441V30.2Very low32Very low136 Ų136146.9 Ų146.982%0.82481%0.81SS**  trans-102.1133.8-174.7-165.30000111.8
442Q31Very low32.1Very low177 Ų177146.7 Ų146.783%0.82781%0.809SS**  166.9116.8122.6-89.2-177.340.600115.9
443N29.4Very low31.9Very low165 Ų165149.3 Ų149.388%0.88281%0.811SS**  53.5128128.5-153.715.1000122.5
444G27.8Very low31.6Very low73 Ų73151.6 Ų151.675%0.75382%0.816SS**  trans139114.7153.400000116.6
445G27Very low31.1Very low83 Ų83150.2 Ų150.286%0.85682%0.817SS**  trans128.9119.3160.100000117
446Q31.8Very low30.9Very low201 Ų201152.2 Ų152.294%0.93982%0.824SS**  trans-74168170.6-56.8162.8-7.800110.5
447A31.4Very low30.8Very low101 Ų101148.8 Ų148.884%0.83582%0.822SS**  cis-143.9-179.99.600000111
448S31.8Very low30.7Very low107 Ų107150 Ų15075%0.74883%0.825SS**  trans-139160.4-171.7-158.30000114.5
449R31.8Very low30.8Very low229 Ų229148.3 Ų148.386%0.86483%0.825SS**  trans89122.2158.7-62.2169.7-178.6-178.5-2120.5
450K35.6Very low30.7Very low199 Ų199147.1 Ų147.187%0.86582%0.822SS**  trans-43.8150.4147.6-59.5170.7172.8178.50113.4
451R30.9Very low31Very low231 Ų231148.2 Ų148.287%0.87282%0.818SS**  trans-163.9132.9131.1-96.8152.5-170.8-1621105.8
452S32.9Very low31.4Very low108 Ų108149.8 Ų149.876%0.75582%0.82SS**  62.711361.9-162.70000111.9
453R30Very low31.5Very low226 Ų226150.2 Ų150.285%0.85382%0.82SS**  trans-153.694.5167.4-165.8174.8-171.4167.11.7111.6
454D30.4Very low31.7Very low141 Ų141149.8 Ų149.875%0.75482%0.817SS**  46.7131.2129.1-39.7-38.3000121.1
455D30.6Very low31.8Very low155 Ų155155.4 Ų155.483%0.82982%0.821SS**  trans-104127.9173.6-163.4-29.8000109.4
456R31.3Very low32.1Very low233 Ų233159.4 Ų159.488%0.87982%0.815SS**  trans-179.2152.2152.1-112174.3166.3-173.4-6.8115.1
457S28.4Very low32Very low109 Ų109159.3 Ų159.376%0.76282%0.815SS**  trans81.6130.7165.5-55.10000117
458T29.2Very low31.9Very low127 Ų127163.9 Ų163.978%0.77982%0.816SS**  cis-152.4155.6-14.7-67.70000108.2
459S36.3Very low32Very low114 Ų114164.6 Ų164.680%0.79782%0.816SS**  trans-61.5134.6178.4530000114.9
460A30.2Very low31.9Very low96 Ų96162.3 Ų162.379%0.79382%0.817SS**  trans-144.8137154.600000109
461S32.8Very low31.4Very low101 Ų101158.4 Ų158.471%0.70682%0.815SS**  trans-85.2133.1-179.3-1700000110.9F463S461-F463 VanDerWaalsContact C-N 3.28Å; S461-F463 PolarHBondContact O-N 2.99Å
462I38.9Very low31.3Very low170 Ų170153 Ų15387%0.87281%0.812SS**SBendtrans-91.271.8170.7-55.1-179.9000108.1
463F34.3Very low31.2Very low186 Ų186153.5 Ų153.582%0.81682%0.816SS**  trans-141.843175-109.3-72.8000110.3S461S461-F463 VanDerWaalsContact C-N 3.28Å; S461-F463 PolarHBondContact O-N 2.99Å
464D33Very low31.3Very low156 Ų156148.5 Ų148.583%0.83482%0.816SS**  trans-164.259.3174.1-124.5-24.1000114.3
465F30.3Very low31.2Very low190 Ų190147 Ų14783%0.83382%0.823SS**SBendtrans-162.580.8160.2-141.7-95.2000115.3
466F31.7Very low31.1Very low167 Ų167144.5 Ų144.573%0.73282%0.824SS**SBendtrans-167.614.9133.4-124.8-85.7000116.4K468F466-K468 PolarHBondContact O-N 3.3Å
467E31.2Very low31Very low199 Ų199137.8 Ų137.893%0.9382%0.818SS**  trans-90.952.2178.1-156.9-171.9174.700113.5
468K29.4Very low31.1Very low198 Ų198142.9 Ų142.986%0.86182%0.82SS**  trans-157.355.4172.5-137.7142.6-167.2163.60119F466F466-K468 PolarHBondContact O-N 3.3Å
469T32.3Very low31.2Very low121 Ų121143.4 Ų143.474%0.74281%0.814SS**  trans-132.450.6159.559.30000112.6
470M29.7Very low31Very low182 Ų182145 Ų14590%0.89782%0.819SS**  trans-137.681.7173.3-85-69.1-170.100110.8
471S26.8Very low30.9Very low117 Ų117144 Ų14482%0.81882%0.818SS**  trans171.2151.1150.7-82.30000111.5
472S28.8Very low30.8Very low116 Ų116149.1 Ų149.181%0.81183%0.828SS**  trans74.2124.4177.5-46.30000115.9
473S29Very low30.3Very low119 Ų119146.6 Ų146.683%0.83282%0.821SS**  cis-153.6161.7-9.6-81.10000110.5
474S31.9Very low30.3Very low122 Ų122146.2 Ų146.285%0.85382%0.821SS**  trans-89.9152.7179.647.30000114
475A29.1Very low30.1Very low109 Ų109144.5 Ų144.590%0.90182%0.817SS**  trans-154.4150.3163.400000109.9
476A28.4Very low29.9Very low103 Ų103140 Ų14085%0.85182%0.815SS**  trans-119156.3-158.600000116.4
477A29.5Very low29.8Very low91 Ų91137.9 Ų137.975%0.75282%0.82SS**  trans-158.9127.4148.900000106.7
478R31.5Very low29.7Very low216 Ų216133.3 Ų133.382%0.81582%0.817SS**  55128.859-60.7-162.181.6167.37.3112.5
479E30.3Very low29.7Very low139 Ų139128.7 Ų128.765%0.6582%0.815SS**  cis-170.3178.7-11.6-141.5178.812700109.1
480T31.6Very low29.7Very low146 Ų146129.1 Ų129.190%0.89682%0.818SS**  trans106.2137.8166.868.50000117.2
481G28.9Very low30.3Very low76 Ų76126.1 Ų126.178%0.78481%0.812SS**  trans-151.6-177.6175.900000110.5
482K30.5Very low30.3Very low209 Ų209124.5 Ų124.591%0.90981%0.806SS**  trans-153.3147.5168.7-137.8169.8-174.71770111.9
483T29.1Very low30.3Very low117 Ų117124.1 Ų124.172%0.71880%0.804SS**  trans-109.9151.4-170.638.40000112.9
484Q33.2Very low30.3Very low177 Ų177124.4 Ų124.483%0.82780%0.795SS**  trans-178.3121.3144-96145.9103.800106.1
485T28.2Very low30.3Very low120 Ų120126.2 Ų126.274%0.73679%0.79SS**  cis84.5136.434.571.40000115.7
486A27.4Very low30.3Very low96 Ų96125.4 Ų125.479%0.79378%0.777SS**  trans81.6147.2173.600000117.2
487S29Very low30.4Very low122 Ų122131.5 Ų131.585%0.85378%0.778SS**  cis-163.8167.3-22.2-103.40000111.2
488A28.6Very low30.6Very low103 Ų103131.8 Ų131.885%0.85178%0.775SS**  trans-70.8159.3-177.600000115.7
489A29.9Very low30.6Very low101 Ų101126.7 Ų126.784%0.83577%0.772SS**  trans-162.7128.5141.400000112.7
490T32.9Very low30.7Very low130 Ų130126 Ų12680%0.79878%0.783SS**  trans-109.9146.6158-21.90000107.7
491P41.6Very low30.7Very low119 Ų119124.8 Ų124.877%0.77378%0.78SS**  -136.5155101.120.8-0.1000111.7
492A26.8Very low30.9Very low84 Ų84127.3 Ų127.369%0.69479%0.786SS**  cis79.8141.436.800000114.8
493S29.5Very low31Very low108 Ų108123.1 Ų123.176%0.75578%0.783SS**  trans72.3144.2171.5-83.70000118.3
494L29.1Very low31.1Very low125 Ų125123.1 Ų123.165%0.65479%0.788SS**  cis-167.8165.7-12.1-152168.4000111.7
495H30.9Very low31Very low160 Ų160120.1 Ų120.174%0.74179%0.786SS**  trans67.8156.9161.8-57.3131.1000118.8
496S29.7Very low31Very low91 Ų91119.6 Ų119.664%0.63679%0.786SS**  cis-174.4167.2-27.3-94.50000110.7
497R30.5Very low31Very low232 Ų232122.3 Ų122.388%0.87579%0.793SS**  trans70.6115.5157.5-75.2165.9150.8-138.9-8.9116.5
498S33.3Very low31.2Very low97 Ų97122 Ų12268%0.67879%0.791SS**  71.7139.86480.60000113.8
499S32Very low31.2Very low108 Ų108122.7 Ų122.776%0.75579%0.79SS**  cis173.2130.9-10.946.80000107.7
500S31.4Very low31.5Very low125 Ų125123.9 Ų123.987%0.87479%0.792SS**  trans-166.7119.2160.852.60000112.4
501S33Very low31.4Very low121 Ų121123 Ų12385%0.84679%0.791SS**  trans-93.9143.3166.854.20000110.5
502S31.4Very low31.3Very low129 Ų129123.3 Ų123.390%0.90280%0.796SS**  trans-141.2135158.850.40000110.4
503S33.2Very low32Very low120 Ų120125.1 Ų125.184%0.83980%0.801SS**  trans-132.7138.4-172.456.60000110.4
504S30.8Very low32.1Very low118 Ų118125.3 Ų125.383%0.82580%0.802SS**  trans-145.8105.1173.958.20000112.9
505S31.5Very low32.8Very low114 Ų114125.2 Ų125.280%0.79781%0.811SS**  trans-59.7163.8146.847.80000110.7
506C28.6Very low33.3Very low108 Ų108122.6 Ų122.673%0.7381%0.811SS**  cis-169.6169.5-12.749.90000107.3
507T27.1Very low34.3Very low154 Ų154124.7 Ų124.795%0.94583%0.826SS**  trans-179.5165.414418.20000111.1
508S34.3Very low35Very low116 Ų116118.6 Ų118.681%0.81182%0.819SS**  trans-127.8129.3179.6560000111.3
509S28.2Very low36Very low117 Ų117119 Ų11982%0.81882%0.821SS**  trans-146.7126.7171.157.10000111
510S35Very low37.5Very low125 Ų125121.7 Ų121.787%0.87483%0.827SS**  trans-83.6125.3-178.152.20000112.6
511S31.3Very low39.7Very low112 Ų112119.6 Ų119.678%0.78381%0.808SS**  trans-153.5135.6160.352.60000110.9
512S39.1Very low42.2Very low126 Ų126120 Ų12088%0.88180%0.799SS**  trans-98.9134.9176.5-53.90000110.1
513P42.1Very low45.1Very low122 Ų122118.7 Ų118.779%0.79278%0.779SS**  trans-121.7159.1153.827.1-11.3000113.6
514S31.9Very low47.9Very low112 Ų112115.4 Ų115.478%0.78375%0.754SS**  trans-57.3153.5-175.448.50000116.6
515S43.2Very low50.9Low122 Ų122112.7 Ų112.785%0.85374%0.735SS**  trans-44136.3172.8-45.70000115.1
516S40.9Very low53.9Low105 Ų105107.2 Ų107.273%0.73470%0.697SS**  trans-154129.6159.3-78.80000109S518S516-S518 VanDerWaalsContact C-N 3.34Å; S516-S518 PolarHBondContact O-N 2.82Å
517S50.8Low56.8Low135 Ų135106.6 Ų106.694%0.94469%0.691SS**  trans-79.376-170.1-60.70000112.8S519S517-S519 PolarHBondContact O-N 3.31Å
518S46.2Very low59.9Low105 Ų105102.8 Ų102.873%0.73467%0.668SS**  trans-73.3120.4169.3-60.70000110.4S516 L520S516-S518 VanDerWaalsContact C-N 3.34Å; S516-S518 PolarHBondContact O-N 2.82Å; S518-L520 PolarHBondContact O-N 2.95Å
519S54.1Low62.7Low104 Ų10499.7 Ų99.773%0.72765%0.646SS**  trans-64.9124.8171.341.60000110.1S517 V521S517-S519 PolarHBondContact O-N 3.31Å; S519-V521 PolarHBondContact O-N 3.32Å
520L64.3Low65.7Low165 Ų165100.3 Ų100.386%0.86464%0.636SS**  trans-69.899.2173.2-66.9177.8000108.9S518 M522S518-L520 PolarHBondContact O-N 2.95Å; L520-M522 PolarHBondContact O-N 3.48Å; L520-M522 VanDerWaalsContact O-N 3.11Å
521V77Confident68.5Low81 Ų8198 Ų9849%0.49162%0.616SS.*  trans-69.1105.9174.7-177.60000108.2S519 M523 Q534S519-V521 PolarHBondContact O-N 3.32Å; V521-M523 HydrophobicContact CG1-SD 4.43Å; V521-M523 PolarHBondContact O-N 3.49Å; V521-Q534 HydrophobicContact CG1-CB 4.07Å; V521-Q534 HydrophobicContact CG1-CG 3.61Å
522M85.6Confident71.4Confident130 Ų13099.9 Ų99.964%0.6461%0.61SS**  trans-67.1133.7177.1-65-155.9-176.900110.4L520 Q534 E535L520-M522 PolarHBondContact O-N 3.48Å; L520-M522 VanDerWaalsContact O-N 3.11Å; M522-Q534 WeakPolarHBondContact O-CA 3.36Å; M522-E535 HydrophobicContact CB-CB 4.24Å; M522-E535 PolarHBondContact O-N 3.32Å
523M92Very high74Confident101 Ų10195 Ų9550%0.49857%0.574SS.*EExtended strand (participates in β ladder)trans-119121.6-177.4-63.4-72-68.200109.2V521 K532 I533 Q534V521-M523 HydrophobicContact CG1-SD 4.43Å; V521-M523 PolarHBondContact O-N 3.49Å; M523-K532 HydrophobicContact CE-CB 4.14Å; M523-K532 WeakPolarHBondContact CE-O 3.39Å; M523-I533 CarbonylContact C-O 3.46Å; M523-I533 VanDerWaalsContact CA-O 3.3Å; M523-I533 WeakPolarHBondContact CA-O 3.08Å; M523-Q534 HydrophobicContact SD-CB 4.29Å; M523-Q534 HydrophobicContact SD-CG 3.62Å
524V91.9Very high76.4Confident52 Ų5292.7 Ų92.732%0.31555%0.553SS.*EExtended strand (participates in β ladder)trans-111.4150.8178.6-63.60000110K532 I533 E535 I538V524-K532 WeakPolarHBondContact O-CA 3.46Å; V524-I533 PolarHBondContact N-O 2.67Å; V524-I533 PolarHBondContact O-N 3.42Å; V524-E535 HydrophobicContact CG1-CB 4.43Å; V524-I538 HydrophobicContact CG2-CB 3.88Å; V524-I538 HydrophobicContact CG2-CD1 3.94Å; V524-I538 HydrophobicContact CG2-CG1 3.79Å; V524-I538 HydrophobicContact CG2-CG2 4.48Å
525S93.9Very high79.3Confident60 Ų6092.4 Ų92.442%0.4254%0.539SS..EExtended strand (participates in β ladder)trans-85.5133.4174.3-62.60000110.5
526C93.6Very high81.6Confident0 Ų095.5 Ų95.50%054%0.54CS..  trans-68.6126.1170.7176.90000110.6V528 C529 Q530 V531 I533 I538 H541C526-V528 PolarHBondContact O-N 3.41Å; C526-V528 PolarHBondContact SG-N 3.07Å; C526-C529 VanDerWaalsContact SG-SG 3.64Å; C526-Q530 WeakPolarHBondContact O-CA 3.44Å; C526-Q530 PolarHBondContact O-N 2.91Å; C526-V531 PolarHBondContact N-O 2.82Å; C526-I533 HydrophobicContact CB-CD1 4.35Å; C526-I538 HydrophobicContact CB-CD1 4.1Å; C526-H541 PolarHBondContact SG-CD2 3.32Å; C526-H541 PolarHBondContact SG-NE2 3.36Å
527P90.4Very high84Confident94 Ų9495.4 Ų95.461%0.6153%0.526SS*.THydrogen-bonded Turntrans-64.9-25179.725.6-34.9000113.6Q530 L542P527-Q530 PolarHBondContact O-NE2 3.39Å; P527-L542 HydrophobicContact CG-CD2 4.19Å
528V92.8Very high86Confident75 Ų7590.2 Ų90.246%0.45549%0.488SS..THydrogen-bonded Turntrans-79.7-46.6-176.9-172.50000112C526 L542 C545 L546C526-V528 PolarHBondContact O-N 3.41Å; C526-V528 PolarHBondContact SG-N 3.07Å; V528-L542 HydrophobicContact CG2-CD2 3.96Å; V528-C545 HydrophobicContact CB-CB 4.35Å; V528-C545 HydrophobicContact CG1-CB 4.35Å; V528-L546 HydrophobicContact CG2-CD2 3.92Å; V528-L546 HydrophobicContact CG2-CG 4.44Å
529C93.1Very high88.2Confident51 Ų5190.5 Ų90.535%0.34548%0.481SS..THydrogen-bonded Turntrans-120.7-1.8-171.370.50000114.7C526 V531 H541C526-C529 VanDerWaalsContact SG-SG 3.64Å; C529-V531 HydrophobicContact CB-CG2 4.41Å; C529-V531 PolarHBondContact O-N 3.22Å; C529-V531 VanDerWaalsContact SG-CG2 3.59Å; C529-H541 PolarHBondContact SG-NE2 3.23Å
530Q89.7Confident90Very high129 Ų12992.2 Ų92.260%0.60348%0.478SS*.  trans59.49.1-178.8-57.5-62.3-28.600116.3C526 P527C526-Q530 WeakPolarHBondContact O-CA 3.44Å; C526-Q530 PolarHBondContact O-N 2.91Å; P527-Q530 PolarHBondContact O-NE2 3.39Å
531V93.8Very high91.4Very high78 Ų7886.2 Ų86.247%0.47345%0.445SS..  trans-66.5138.7171.6179.30000110C526 C529 I533C526-V531 PolarHBondContact N-O 2.82Å; C529-V531 HydrophobicContact CB-CG2 4.41Å; C529-V531 PolarHBondContact O-N 3.22Å; C529-V531 VanDerWaalsContact SG-CG2 3.59Å; V531-I533 HydrophobicContact CB-CD1 4.36Å; V531-I533 HydrophobicContact CB-CG1 4.37Å; V531-I533 HydrophobicContact CG1-CD1 4.18Å; V531-I533 HydrophobicContact CG1-CG1 3.88Å
532K93.4Very high92.2Very high151 Ų15184.2 Ų84.266%0.65743%0.432SS*.EExtended strand (participates in β ladder)trans-83.7125.3173.8-69.9-172.2177.6-175.50110.9M523 V524M523-K532 HydrophobicContact CE-CB 4.14Å; M523-K532 WeakPolarHBondContact CE-O 3.39Å; V524-K532 WeakPolarHBondContact O-CA 3.46Å
533I93.4Very high92.5Very high24 Ų2483.3 Ų83.312%0.12343%0.429CS..EExtended strand (participates in β ladder)trans-136148.9-169.3-58.3-177.1000109.4M523 V524 C526 V531 E535 K537 I538 H541M523-I533 CarbonylContact C-O 3.46Å; M523-I533 VanDerWaalsContact CA-O 3.3Å; M523-I533 WeakPolarHBondContact CA-O 3.08Å; V524-I533 PolarHBondContact N-O 2.67Å; V524-I533 PolarHBondContact O-N 3.42Å; C526-I533 HydrophobicContact CB-CD1 4.35Å; V531-I533 HydrophobicContact CB-CD1 4.36Å; V531-I533 HydrophobicContact CB-CG1 4.37Å; V531-I533 HydrophobicContact CG1-CD1 4.18Å; V531-I533 HydrophobicContact CG1-CG1 3.88Å; I533-E535 PolarHBondContact O-N 2.87Å; I533-K537 HydrophobicContact CG2-CB 4.05Å; I533-I538 HydrophobicContact CB-CD1 4.34Å; I533-H541 HydrophobicContact CD1-CB 3.64Å; I533-H541 WeakPolarHBondContact CD1-CD2 3.45Å; I533-H541 WeakPolarHBondContact CD1-ND1 3.21Å; I533-H541 WeakPolarHBondContact CD1-NE2 3.47Å; I533-H541 HydrophobicContact CG2-CB 4.45Å
534Q93.1Very high92.4Very high72 Ų7282 Ų8234%0.33643%0.43SS..EExtended strand (participates in β ladder)trans-59.6133.3175.3-58.7-179.8-23.300109.6V521 M522 M523 Q536 K537 I538V521-Q534 HydrophobicContact CG1-CB 4.07Å; V521-Q534 HydrophobicContact CG1-CG 3.61Å; M522-Q534 WeakPolarHBondContact O-CA 3.36Å; M523-Q534 HydrophobicContact SD-CB 4.29Å; M523-Q534 HydrophobicContact SD-CG 3.62Å; Q534-Q536 PolarHBondContact O-N 3.12Å; Q534-Q536 VanDerWaalsContact O-N 3.12Å; Q534-K537 HydrophobicContact CB-CB 4.48Å; Q534-K537 HydrophobicContact CB-CG 4.35Å; Q534-K537 WeakPolarHBondContact O-CA 3.2Å; Q534-K537 PolarHBondContact O-N 2.96Å; Q534-I538 PolarHBondContact O-N 2.92Å
535E91.4Very high92.3Very high107 Ų10781.4 Ų81.450%0.543%0.428SS..G310 helixtrans-50.9-40.1-179.3-175.3-176.1-168.100112.2M522 V524 I533 K537 I538M522-E535 HydrophobicContact CB-CB 4.24Å; M522-E535 PolarHBondContact O-N 3.32Å; V524-E535 HydrophobicContact CG1-CB 4.43Å; I533-E535 PolarHBondContact O-N 2.87Å; E535-K537 PolarHBondContact O-N 3Å; E535-K537 VanDerWaalsContact O-N 3.1Å; E535-I538 VanDerWaalsContact O-CG2 3.3Å; E535-I538 WeakPolarHBondContact O-CG2 3.46Å; E535-I538 PolarHBondContact O-N 3.15Å
536Q91.9Very high91.8Very high186 Ų18684.7 Ų84.787%0.86944%0.44SS*.G310 helixtrans-64.9-11.1177.4-63.6-179.9-14.100114.9Q534Q534-Q536 PolarHBondContact O-N 3.12Å; Q534-Q536 VanDerWaalsContact O-N 3.12Å
537K90.9Very high90.9Very high103 Ų10392.3 Ų92.345%0.44849%0.493SS..G310 helixtrans-122.12.8-176.4-58.7-165.9178.2-161.80113.8I533 Q534 E535 N539 H541I533-K537 HydrophobicContact CG2-CB 4.05Å; Q534-K537 HydrophobicContact CB-CB 4.48Å; Q534-K537 HydrophobicContact CB-CG 4.35Å; Q534-K537 WeakPolarHBondContact O-CA 3.2Å; Q534-K537 PolarHBondContact O-N 2.96Å; E535-K537 PolarHBondContact O-N 3Å; E535-K537 VanDerWaalsContact O-N 3.1Å; K537-N539 VanDerWaalsContact C-N 3.3Å; K537-N539 PolarHBondContact O-N 3.32Å; K537-H541 PolarHBondContact O-N 3.18Å; K537-H541 VanDerWaalsContact O-N 3.11Å
538I94.1Very high90.9Very high26 Ų2692.2 Ų92.213%0.13349%0.487CS..Hα-helixtrans-63.9-35.7-175.1-168.256000112.4V524 C526 I533 Q534 E535 H541 L542V524-I538 HydrophobicContact CG2-CB 3.88Å; V524-I538 HydrophobicContact CG2-CD1 3.94Å; V524-I538 HydrophobicContact CG2-CG1 3.79Å; V524-I538 HydrophobicContact CG2-CG2 4.48Å; C526-I538 HydrophobicContact CB-CD1 4.1Å; I533-I538 HydrophobicContact CB-CD1 4.34Å; Q534-I538 PolarHBondContact O-N 2.92Å; E535-I538 VanDerWaalsContact O-CG2 3.3Å; E535-I538 WeakPolarHBondContact O-CG2 3.46Å; E535-I538 PolarHBondContact O-N 3.15Å; I538-H541 PolarHBondContact O-N 3.04Å; I538-L542 HydrophobicContact CG1-CD1 4.12Å; I538-L542 HydrophobicContact CG1-CG 4.47Å; I538-L542 WeakPolarHBondContact O-CB 3.43Å; I538-L542 VanDerWaalsContact O-CG 3.26Å; I538-L542 WeakPolarHBondContact O-CG 3.35Å; I538-L542 PolarHBondContact O-N 2.89Å
539N91Very high90.8Very high112 Ų11293.1 Ų93.160%0.59949%0.489SS*.Hα-helixtrans-70.1-49.9179.9-62.7-13.3000111.9K537 H541 L542 D543K537-N539 VanDerWaalsContact C-N 3.3Å; K537-N539 PolarHBondContact O-N 3.32Å; N539-H541 PolarHBondContact O-N 3.23Å; N539-L542 PolarHBondContact O-N 2.78Å; N539-D543 PolarHBondContact O-N 3.39Å
540E92.5Very high90.7Very high140 Ų14095.4 Ų95.465%0.65450%0.497SS*.Hα-helixtrans-54.2-39.7174.7-179.9-175.8-163.900111.4S544E540-S544 PolarHBondContact O-N 3.32Å
541H94.1Very high90.7Very high39 Ų3993.5 Ų93.518%0.18149%0.49CS..Hα-helixtrans-69.9-44.2173.3173.873.3000113.3C526 C529 I533 K537 I538 N539 D543 S544 C545C526-H541 PolarHBondContact SG-CD2 3.32Å; C526-H541 PolarHBondContact SG-NE2 3.36Å; C529-H541 PolarHBondContact SG-NE2 3.23Å; I533-H541 HydrophobicContact CD1-CB 3.64Å; I533-H541 WeakPolarHBondContact CD1-CD2 3.45Å; I533-H541 WeakPolarHBondContact CD1-ND1 3.21Å; I533-H541 WeakPolarHBondContact CD1-NE2 3.47Å; I533-H541 HydrophobicContact CG2-CB 4.45Å; K537-H541 PolarHBondContact O-N 3.18Å; K537-H541 VanDerWaalsContact O-N 3.11Å; I538-H541 PolarHBondContact O-N 3.04Å; N539-H541 PolarHBondContact O-N 3.23Å; H541-D543 VanDerWaalsContact C-N 3.29Å; H541-D543 PolarHBondContact O-N 3.03Å; H541-S544 WeakPolarHBondContact CA-OG 3.21Å; H541-S544 CarbonylContact O-C 3.37Å; H541-S544 WeakPolarHBondContact O-CA 3.28Å; H541-S544 WeakPolarHBondContact O-CB 3.42Å; H541-S544 PolarHBondContact O-N 3.04Å; H541-S544 PolarHBondContact O-OG 3.14Å; H541-C545 PolarHBondContact CE1-SG 3.4Å; H541-C545 PolarHBondContact NE2-SG 3.08Å; H541-C545 VanDerWaalsContact NE2-SG 3.41Å; H541-C545 WeakPolarHBondContact O-CB 3.28Å; H541-C545 PolarHBondContact O-N 3.31Å
542L94.1Very high90.5Very high39 Ų3994.4 Ų94.420%0.20449%0.492CS..Hα-helixtrans-58.4-42.3178.1-80.1167000111.4P527 V528 I538 N539 S544 C545 L546P527-L542 HydrophobicContact CG-CD2 4.19Å; V528-L542 HydrophobicContact CG2-CD2 3.96Å; I538-L542 HydrophobicContact CG1-CD1 4.12Å; I538-L542 HydrophobicContact CG1-CG 4.47Å; I538-L542 WeakPolarHBondContact O-CB 3.43Å; I538-L542 VanDerWaalsContact O-CG 3.26Å; I538-L542 WeakPolarHBondContact O-CG 3.35Å; I538-L542 PolarHBondContact O-N 2.89Å; N539-L542 PolarHBondContact O-N 2.78Å; L542-S544 VanDerWaalsContact C-N 3.27Å; L542-S544 PolarHBondContact O-N 3.23Å; L542-C545 PolarHBondContact O-N 3.28Å; L542-L546 WeakPolarHBondContact O-CB 3.38Å; L542-L546 WeakPolarHBondContact O-CG 3.42Å; L542-L546 PolarHBondContact O-N 2.96Å
543D92.4Very high90.3Very high110 Ų11090.7 Ų90.759%0.58848%0.481SS*.Hα-helixtrans-57-42.3173.3-64.2-32.2000111.1N539 H541 S547N539-D543 PolarHBondContact O-N 3.39Å; H541-D543 VanDerWaalsContact C-N 3.29Å; H541-D543 PolarHBondContact O-N 3.03Å; D543-S547 PolarHBondContact O-N 2.95Å; D543-S547 PolarHBondContact O-OG 3.21Å
544S88.9Confident90.1Very high73 Ų7395.4 Ų95.451%0.5151%0.506SS..Hα-helixtrans-74.4-1817677.80000115.3E540 H541 L542E540-S544 PolarHBondContact O-N 3.32Å; H541-S544 WeakPolarHBondContact CA-OG 3.21Å; H541-S544 CarbonylContact O-C 3.37Å; H541-S544 WeakPolarHBondContact O-CA 3.28Å; H541-S544 WeakPolarHBondContact O-CB 3.42Å; H541-S544 PolarHBondContact O-N 3.04Å; H541-S544 PolarHBondContact O-OG 3.14Å; L542-S544 VanDerWaalsContact C-N 3.27Å; L542-S544 PolarHBondContact O-N 3.23Å
545C89.6Confident89.9Confident40 Ų4097.2 Ų97.227%0.2752%0.519SS..Hα-helixtrans-99.4-7.3-179.4-116.20000113.3V528 H541 L542V528-C545 HydrophobicContact CB-CB 4.35Å; V528-C545 HydrophobicContact CG1-CB 4.35Å; H541-C545 PolarHBondContact CE1-SG 3.4Å; H541-C545 PolarHBondContact NE2-SG 3.08Å; H541-C545 VanDerWaalsContact NE2-SG 3.41Å; H541-C545 WeakPolarHBondContact O-CB 3.28Å; H541-C545 PolarHBondContact O-N 3.31Å; L542-C545 PolarHBondContact O-N 3.28Å
546L84.3Confident89.7Confident130 Ų13096.4 Ų96.468%0.68152%0.521SS*.  trans-112.35.2176-63.3172.7000112.4V528 L542V528-L546 HydrophobicContact CG2-CD2 3.92Å; V528-L546 HydrophobicContact CG2-CG 4.44Å; L542-L546 WeakPolarHBondContact O-CB 3.38Å; L542-L546 WeakPolarHBondContact O-CG 3.42Å; L542-L546 PolarHBondContact O-N 2.96Å
547S73.1Confident89.6Confident159 Ų15988.3 Ų88.3100%1.11249%0.489SS*.  trans-990174.8-64.30000112D543D543-S547 PolarHBondContact O-N 2.95Å; D543-S547 PolarHBondContact O-OG 3.21Å

Retrieved 547 of 547 residues in 654.3 ms (Link to these results)

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