A0A096M4I2_POEFO Loading...

Isthmin 1

AlphaFold DB , UniProt , Accession A0A096M4I2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 449 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
1M60Low80.1Confident209 Ų209124.5 Ų124.5100%1.0365%0.65SS**  0-44.20-65.3-141.5-75.600113.3R3 L4 A5M1-R3 PolarHBondContact O-N 3.39Å; M1-L4 PolarHBondContact O-N 2.94Å; M1-A5 PolarHBondContact O-N 3.47Å; M1-A5 VanDerWaalsContact O-N 3.13Å
2V67.8Low81.1Confident126 Ų126121.5 Ų121.576%0.76464%0.635SS**Hα-helixtrans-64.8-38.2-177.6-176.20000114.3A5 A6V2-A5 PolarHBondContact O-N 3.28Å; V2-A6 PolarHBondContact O-N 3.39Å; V2-A6 VanDerWaalsContact O-N 3.11Å
3R71.6Confident81.8Confident217 Ų217115.1 Ų115.182%0.81962%0.616SS**Hα-helixtrans-67.6-41.3177.4-74.9-172175173.2-1.8113.4M1 A5 A6 E7M1-R3 PolarHBondContact O-N 3.39Å; R3-A5 VanDerWaalsContact C-N 3.32Å; R3-A5 PolarHBondContact O-N 2.62Å; R3-A6 PolarHBondContact O-N 3.07Å; R3-E7 PolarHBondContact O-N 3.44Å
4L77.1Confident82.5Confident118 Ų118113.8 Ų113.862%0.61861%0.608SS**Hα-helixtrans-63.5-37.4174.6-93.3140.6000112M1 L8M1-L4 PolarHBondContact O-N 2.94Å; L4-L8 WeakPolarHBondContact O-CB 3.31Å; L4-L8 PolarHBondContact O-N 3.35Å
5A80.5Confident83.2Confident53 Ų53114 Ų11444%0.43861%0.609SS.*Hα-helixtrans-66.5-38.5175.500000112.3M1 V2 R3 L8 L9M1-A5 PolarHBondContact O-N 3.47Å; M1-A5 VanDerWaalsContact O-N 3.13Å; V2-A5 PolarHBondContact O-N 3.28Å; R3-A5 VanDerWaalsContact C-N 3.32Å; R3-A5 PolarHBondContact O-N 2.62Å; A5-L8 PolarHBondContact O-N 3.29Å; A5-L9 VanDerWaalsContact O-CG 3.3Å; A5-L9 WeakPolarHBondContact O-CG 3.38Å; A5-L9 PolarHBondContact O-N 3.36Å
6A82.8Confident83.6Confident56 Ų56113.1 Ų113.146%0.46360%0.603SS.*Hα-helixtrans-66.4-4317700000112.1V2 R3 L9 L10V2-A6 PolarHBondContact O-N 3.39Å; V2-A6 VanDerWaalsContact O-N 3.11Å; R3-A6 PolarHBondContact O-N 3.07Å; A6-L9 PolarHBondContact O-N 2.81Å; A6-L10 PolarHBondContact O-N 3.28Å
7E85Confident83.8Confident124 Ų124112.7 Ų112.758%0.57960%0.6SS**Hα-helixtrans-65.8-38.5176.2-72.7178.4-177.700112.1R3 L9 L10 L11R3-E7 PolarHBondContact O-N 3.44Å; E7-L9 PolarHBondContact O-N 3.49Å; E7-L10 PolarHBondContact O-N 3.38Å; E7-L11 WeakPolarHBondContact O-CG 3.45Å; E7-L11 PolarHBondContact O-N 2.77Å
8L88.8Confident83.8Confident110 Ų110110.6 Ų110.658%0.57659%0.592SS**Hα-helixtrans-65.3-39176.6-128.5119.1000112.3L4 A5 L11 L12L4-L8 WeakPolarHBondContact O-CB 3.31Å; L4-L8 PolarHBondContact O-N 3.35Å; A5-L8 PolarHBondContact O-N 3.29Å; L8-L11 PolarHBondContact O-N 3.36Å; L8-L12 WeakPolarHBondContact O-CB 3.46Å; L8-L12 PolarHBondContact O-N 2.82Å
9L88.2Confident84Confident124 Ų124110.3 Ų110.365%0.64959%0.59SS**Hα-helixtrans-67.6-36.3175.9-73.9169.8000112.1A5 A6 E7 L12 G13A5-L9 VanDerWaalsContact O-CG 3.3Å; A5-L9 WeakPolarHBondContact O-CG 3.38Å; A5-L9 PolarHBondContact O-N 3.36Å; A6-L9 PolarHBondContact O-N 2.81Å; E7-L9 PolarHBondContact O-N 3.49Å; L9-L12 PolarHBondContact O-N 3.2Å; L9-G13 PolarHBondContact O-N 2.9Å
10L88.4Confident83.6Confident121 Ų121111.5 Ų111.563%0.63459%0.592SS**Hα-helixtrans-67.3-41.8176.8-129.2152000111.4A6 E7 G13 L14A6-L10 PolarHBondContact O-N 3.28Å; E7-L10 PolarHBondContact O-N 3.38Å; L10-G13 PolarHBondContact O-N 2.87Å; L10-L14 HydrophobicContact CD2-CD1 4.29Å; L10-L14 PolarHBondContact O-N 2.87Å
11L90.9Very high83.3Confident111 Ų111110.1 Ų110.158%0.58158%0.584SS**Hα-helixtrans-66.3-39.9174.4-71.5171.6000112.3E7 L8 G13 L14 L15E7-L11 WeakPolarHBondContact O-CG 3.45Å; E7-L11 PolarHBondContact O-N 2.77Å; L8-L11 PolarHBondContact O-N 3.36Å; L11-G13 VanDerWaalsContact C-N 3.34Å; L11-L14 PolarHBondContact O-N 3.21Å; L11-L15 PolarHBondContact O-N 2.89Å
12L92.2Very high84.2Confident89 Ų89104 Ų10447%0.46656%0.558SS.*Hα-helixtrans-62.4-41173.5-113.1151.5000111.8L8 L9 L15 L16L8-L12 WeakPolarHBondContact O-CB 3.46Å; L8-L12 PolarHBondContact O-N 2.82Å; L9-L12 PolarHBondContact O-N 3.2Å; L12-L15 PolarHBondContact O-N 3.16Å; L12-L16 WeakPolarHBondContact O-CG 3.08Å; L12-L16 PolarHBondContact O-N 3.04Å
13G90.8Very high84.5Confident38 Ų38101.5 Ų101.539%0.39254%0.543SS..Hα-helixtrans-61.6-43.9175.100000112.9L9 L10 L11 L16 L17L9-G13 PolarHBondContact O-N 2.9Å; L10-G13 PolarHBondContact O-N 2.87Å; L11-G13 VanDerWaalsContact C-N 3.34Å; G13-L16 PolarHBondContact O-N 3.41Å; G13-L17 WeakPolarHBondContact O-CB 3.04Å; G13-L17 PolarHBondContact O-N 3.2Å
14L91.5Very high84Confident97 Ų9798 Ų9851%0.50854%0.54SS..Hα-helixtrans-65.6-37.3176.2-76.4161.8000112.3L10 L11 L17 T18L10-L14 HydrophobicContact CD2-CD1 4.29Å; L10-L14 PolarHBondContact O-N 2.87Å; L11-L14 PolarHBondContact O-N 3.21Å; L14-L17 PolarHBondContact O-N 3.31Å; L14-T18 WeakPolarHBondContact O-CG2 3.44Å; L14-T18 PolarHBondContact O-N 3.5Å; L14-T18 PolarHBondContact O-OG1 3.19Å
15L92.1Very high83.2Confident117 Ų117103 Ų10361%0.61355%0.551SS**Hα-helixtrans-66.2-42175.6-108.3160.4000112.3L11 L12 T18 L19L11-L15 PolarHBondContact O-N 2.89Å; L12-L15 PolarHBondContact O-N 3.16Å; L15-T18 WeakPolarHBondContact CA-OG1 3.22Å; L15-T18 PolarHBondContact O-N 3.49Å; L15-T18 PolarHBondContact O-OG1 3.07Å; L15-L19 WeakPolarHBondContact O-CB 3.02Å; L15-L19 PolarHBondContact O-N 2.65Å
16L90.3Very high81.8Confident99 Ų99104.1 Ų104.152%0.51856%0.555SS.*Hα-helixtrans-68-37.6176.6-69.4172.2000112L12 G13 L19 H20L12-L16 WeakPolarHBondContact O-CG 3.08Å; L12-L16 PolarHBondContact O-N 3.04Å; G13-L16 PolarHBondContact O-N 3.41Å; L16-L19 PolarHBondContact O-N 3.28Å; L16-H20 PolarHBondContact O-N 3.47Å
17L86.4Confident79.9Confident107 Ų107108 Ų10856%0.5657%0.568SS**Hα-helixtrans-66.7-42.2177.2-164.4119.4000111.6G13 L14 H20 I21G13-L17 WeakPolarHBondContact O-CB 3.04Å; G13-L17 PolarHBondContact O-N 3.2Å; L14-L17 PolarHBondContact O-N 3.31Å; L17-H20 PolarHBondContact O-N 3Å; L17-I21 HydrophobicContact CD2-CD1 3.74Å; L17-I21 HydrophobicContact CG-CD1 4.29Å; L17-I21 WeakPolarHBondContact O-CD1 3.34Å; L17-I21 VanDerWaalsContact O-CG1 3.25Å; L17-I21 WeakPolarHBondContact O-CG1 3.46Å; L17-I21 PolarHBondContact O-N 3.41Å
18T84.1Confident78Confident74 Ų74107.8 Ų107.845%0.45458%0.578SS.*Hα-helixtrans-67.6-36.7175.650.60000112.3L14 L15 I21 T22L14-T18 WeakPolarHBondContact O-CG2 3.44Å; L14-T18 PolarHBondContact O-N 3.5Å; L14-T18 PolarHBondContact O-OG1 3.19Å; L15-T18 WeakPolarHBondContact CA-OG1 3.22Å; L15-T18 PolarHBondContact O-N 3.49Å; L15-T18 PolarHBondContact O-OG1 3.07Å; T18-I21 PolarHBondContact O-N 2.82Å; T18-T22 WeakPolarHBondContact O-CG2 3.35Å; T18-T22 PolarHBondContact O-N 3.33Å; T18-T22 PolarHBondContact O-OG1 2.87Å; T18-T22 VanDerWaalsContact O-OG1 3.12Å
19L87Confident75.6Confident106 Ų106110.7 Ų110.756%0.55559%0.593SS**Hα-helixtrans-64.2-41.5172.5-163.583.7000111.9L15 L16 I21 T22 V23L15-L19 WeakPolarHBondContact O-CB 3.02Å; L15-L19 PolarHBondContact O-N 2.65Å; L16-L19 PolarHBondContact O-N 3.28Å; L19-I21 PolarHBondContact O-N 2.02Å; L19-T22 WeakPolarHBondContact CA-OG1 3.25Å; L19-T22 PolarHBondContact O-N 3.42Å; L19-T22 PolarHBondContact O-OG1 3.3Å; L19-V23 WeakPolarHBondContact O-CB 3.35Å; L19-V23 VanDerWaalsContact O-CG2 3.24Å; L19-V23 WeakPolarHBondContact O-CG2 2.98Å; L19-V23 PolarHBondContact O-N 2.03Å
20H76.9Confident73.5Confident133 Ų133110.1 Ų110.162%0.61660%0.597SS**Hα-helixtrans-64.9-40.1176.4-95.6-43.7000112.7L16 L17 T22 V23 L24L16-H20 PolarHBondContact O-N 3.47Å; L17-H20 PolarHBondContact O-N 3Å; H20-T22 VanDerWaalsContact C-N 3.35Å; H20-V23 PolarHBondContact O-N 3.17Å; H20-L24 WeakPolarHBondContact O-CB 3.41Å; H20-L24 WeakPolarHBondContact O-CG 3.04Å; H20-L24 PolarHBondContact O-N 3.12Å
21I78.1Confident71Confident83 Ų83113.8 Ų113.843%0.42661%0.61SS.*Hα-helixtrans-66.7-37.2177.7-66.5164.5000111.2L17 T18 L19 R25L17-I21 HydrophobicContact CD2-CD1 3.74Å; L17-I21 HydrophobicContact CG-CD1 4.29Å; L17-I21 WeakPolarHBondContact O-CD1 3.34Å; L17-I21 VanDerWaalsContact O-CG1 3.25Å; L17-I21 WeakPolarHBondContact O-CG1 3.46Å; L17-I21 PolarHBondContact O-N 3.41Å; T18-I21 PolarHBondContact O-N 2.82Å; L19-I21 PolarHBondContact O-N 2.02Å; I21-R25 PolarHBondContact O-N 3.36Å
22T77.6Confident68.2Low80 Ų80112.1 Ų112.149%0.49162%0.62SS.*Hα-helixtrans-73.4-36177.754.10000112.6T18 L19 H20 R25 S26T18-T22 WeakPolarHBondContact O-CG2 3.35Å; T18-T22 PolarHBondContact O-N 3.33Å; T18-T22 PolarHBondContact O-OG1 2.87Å; T18-T22 VanDerWaalsContact O-OG1 3.12Å; L19-T22 WeakPolarHBondContact CA-OG1 3.25Å; L19-T22 PolarHBondContact O-N 3.42Å; L19-T22 PolarHBondContact O-OG1 3.3Å; H20-T22 VanDerWaalsContact C-N 3.35Å; T22-R25 PolarHBondContact O-N 3.41Å; T22-S26 PolarHBondContact O-N 3.01Å; T22-S26 PolarHBondContact O-OG 3.2Å
23V74Confident65.3Low75 Ų75115.6 Ų115.646%0.45564%0.639SS.*Hα-helixtrans-67.1-39.4173.4172.50000111.6L19 H20 R25 S26L19-V23 WeakPolarHBondContact O-CB 3.35Å; L19-V23 VanDerWaalsContact O-CG2 3.24Å; L19-V23 WeakPolarHBondContact O-CG2 2.98Å; L19-V23 PolarHBondContact O-N 2.03Å; H20-V23 PolarHBondContact O-N 3.17Å; V23-R25 VanDerWaalsContact C-N 3.27Å; V23-R25 PolarHBondContact O-N 3.35Å; V23-S26 WeakPolarHBondContact CA-OG 3.33Å; V23-S26 PolarHBondContact O-N 3.07Å; V23-S26 PolarHBondContact O-OG 3.47Å
24L62.1Low62.6Low144 Ų144118.6 Ų118.675%0.75466%0.66SS**Hα-helixtrans-66.5-26.9175.3-76.4166.6000113.2H20H20-L24 WeakPolarHBondContact O-CB 3.41Å; H20-L24 WeakPolarHBondContact O-CG 3.04Å; H20-L24 PolarHBondContact O-N 3.12Å
25R60.6Low59.7Low223 Ų223119.9 Ų119.984%0.84267%0.672SS**Hα-helixtrans-84.7-11175.4-82.7-174.4172173.2-1.1114.7I21 T22 V23I21-R25 PolarHBondContact O-N 3.36Å; T22-R25 PolarHBondContact O-N 3.41Å; V23-R25 VanDerWaalsContact C-N 3.27Å; V23-R25 PolarHBondContact O-N 3.35Å
26S49.8Very low56.7Low76 Ų76120.3 Ų120.353%0.53168%0.679SS.*SBendtrans-108.711.2-172.5440000115.2T22 V23 P28T22-S26 PolarHBondContact O-N 3.01Å; T22-S26 PolarHBondContact O-OG 3.2Å; V23-S26 WeakPolarHBondContact CA-OG 3.33Å; V23-S26 PolarHBondContact O-N 3.07Å; V23-S26 PolarHBondContact O-OG 3.47Å; S26-P28 WeakPolarHBondContact O-CD 3.18Å
27N42.8Very low53.8Low138 Ų138120.2 Ų120.274%0.73869%0.687SS**  trans-98.995.7170.1-87.6-9.4000112.1
28P45.3Very low51Low119 Ų119121.9 Ų121.977%0.77370%0.696SS**PPolyproline II helixtrans-83.4119.5157.731.5-28.4000109.5S26S26-P28 WeakPolarHBondContact O-CD 3.18Å
29L37.9Very low48.4Very low171 Ų171124.5 Ų124.590%0.89571%0.707SS**PPolyproline II helixtrans-76.7140.5164.3-94.5151.9000109.4
30P44.4Very low45.6Very low112 Ų112128.9 Ų128.973%0.72773%0.725SS**PPolyproline II helixtrans-89.9136.2-16934.1-30.3000111.8
31Q36.7Very low43.3Very low198 Ų198129.2 Ų129.293%0.92573%0.731SS**  trans-125.2105156.4-86.3-173-19.500110.2
32G31.5Very low40.9Very low76 Ų76130.4 Ų130.478%0.78474%0.742SS**  trans48.5102.5132.300000119
33N32.5Very low38.6Very low162 Ų162132.3 Ų132.387%0.86675%0.754SS**  trans-53.1134158.2-74.1-22.6000112.9
34A32.2Very low36.5Very low101 Ų101135.7 Ų135.784%0.83577%0.769SS**  trans-142.9100.3132.800000108.4
35T32.5Very low34.8Very low123 Ų123136.9 Ų136.976%0.75577%0.768SS**  trans-58.8148.3158.737.80000109.1
36V28.5Very low33.3Very low126 Ų126134.1 Ų134.176%0.76476%0.764SS**  -169.5118.483165.20000105.7
37S28.3Very low32.4Very low98 Ų98138.9 Ų138.969%0.68578%0.778SS**  56.4134.2103.9-143.10000113.9
38L29.3Very low31.7Very low141 Ų141138.9 Ų138.974%0.73878%0.778SS**  cis-169.2150.235.4-17273.8000108.3
39D28.3Very low30.8Very low130 Ų130138.6 Ų138.670%0.69577%0.774SS**  trans-4.4140157.3-54-45.5000119.5
40Q29.3Very low30.6Very low198 Ų198137.6 Ų137.693%0.92577%0.769SS**  -175.5155.997-121.2166.9-3.800115.3
41D27.6Very low29.8Very low140 Ų140140.3 Ų140.375%0.74978%0.778SS**  trans-63.7166.3-173.4-117.6-32.7000118.4
42T28.4Very low29.3Very low108 Ų108135.2 Ų135.266%0.66377%0.769SS**  trans77.6111.3143.752.60000123
43T29.4Very low29.1Very low120 Ų120142.5 Ų142.574%0.73677%0.773SS**  32.6125122.963.20000120.8
44L28.2Very low28.8Very low146 Ų146139.7 Ų139.776%0.76477%0.766SS**  161.1135.2113.7-89.7158000113.7
45K27.3Very low28.4Very low169 Ų169146.2 Ų146.274%0.73577%0.769SS**  trans63.3120.6139.7-79.4177.8178.3-179.60123
46E29.5Very low28Very low165 Ų165145.2 Ų145.277%0.77177%0.767SS**  27.1124.9121.5-72.8178125.100119.2
47Q30Very low27.9Very low176 Ų176148.4 Ų148.482%0.82277%0.771SS**  177.7128.7110.7-98.3172.2-1.400112
48N27.6Very low27.9Very low137 Ų137149.6 Ų149.673%0.73377%0.774SS**  43.7138.8122.8-71-11.2000118.9
49T28.5Very low27.9Very low113 Ų113151.3 Ų151.369%0.69378%0.778SS**  cis179.1151.336.90.90000109.3
50L31.8Very low27.7Very low150 Ų150153.4 Ų153.479%0.78579%0.788SS**  trans27128.8140.6-65.4163000120.6
51N27.8Very low27.5Very low170 Ų170148.1 Ų148.191%0.90978%0.778SS**  -156.7121.3123.4-98.8-30.1000112.6
52A27.7Very low28Very low90 Ų90147.1 Ų147.174%0.74478%0.779SS**  trans-83.4147.316600000110.3
53R25.8Very low28Very low230 Ų230150.4 Ų150.487%0.86879%0.788SS**  trans-150.6106.9150-146.1173.8-168.3174.84.5111.2
54S26.2Very low27.9Very low102 Ų102150.8 Ų150.871%0.71379%0.785SS**  trans-65.8151.7160.6-59.30000111.4
55R23.8Very low27.7Very low238 Ų238153.5 Ų153.590%0.89879%0.785SS**  trans-150.5127.5137-104.1176.5-174.2180-0.1109.4
56S25.4Very low27.6Very low102 Ų102156.2 Ų156.271%0.71379%0.791SS**  trans-108.6-179.3-177.1-43.30000111
57F26.5Very low27.5Very low193 Ų193154.3 Ų154.385%0.84680%0.796SS**  trans89.9136.4162-98.1-85.2000115.9
58V27.1Very low27.1Very low123 Ų123149.7 Ų149.775%0.74580%0.796SS**  cis-154.6152.226.9-171.20000110.2
59Q30Very low27Very low178 Ų178148.3 Ų148.383%0.83280%0.803SS**  trans-74.3158.3170.5-123.1142.1-4300114
60L24.4Very low26.8Very low173 Ų173151.2 Ų151.291%0.90681%0.809SS**  trans-176.1131.5141.9-97.2147.3000112
61A25.7Very low26.6Very low87 Ų87153.7 Ų153.772%0.71982%0.816SS**  trans-119.4167155.600000106.3
62P38Very low26.6Very low119 Ų119156.3 Ų156.377%0.77381%0.813SS**  cis-152.2177.145.337.9-13.6000118.6
63E27.6Very low26.8Very low178 Ų178157.8 Ų157.883%0.83282%0.815SS**  trans40150156-61.8-157.2137.700122.1
64D26.4Very low26.7Very low128 Ų128150.1 Ų150.168%0.68480%0.801SS**  cis-172.9165.237.1-161.52.3000112.2
65R25.5Very low26.7Very low202 Ų202154.4 Ų154.476%0.76281%0.809SS**  trans98.6105.3155-65.2-166.7174.9177.7-0.6125.3
66R25.2Very low26.8Very low226 Ų226151.8 Ų151.885%0.85381%0.807SS**  67.4121.5121-79.8-174.2-177.1-164.3-0.7123.4
67S25.9Very low27.2Very low125 Ų125152.6 Ų152.687%0.87481%0.81SS**  144122.7127.3-600000107.8
68G22.8Very low27Very low80 Ų80148.3 Ų148.383%0.82581%0.81SS**  cis122.9104.822.400000108.2
69A25.5Very low26.8Very low107 Ų107148.7 Ų148.788%0.88481%0.813SS**  trans-179.9116.2148.400000111.6
70E24.3Very low26.5Very low174 Ų174148 Ų14881%0.81381%0.814SS**  trans-68152.9168.4-71.1160.8108.800112.3
71H27.4Very low26.8Very low202 Ų202145.1 Ų145.194%0.93581%0.806SS**  trans-155.6114.7132.7-86.7-48.3000111.1
72R26.6Very low26.6Very low225 Ų225150.9 Ų150.985%0.84981%0.809SS**  trans-114.5151.6152.6-147.6178.1-179.1176.50.8105.7
73P32.7Very low26Very low121 Ų121152.2 Ų152.279%0.78682%0.815SS**  -143164.4104.930.6-12.1000114.6
74A24.4Very low26Very low69 Ų69151.4 Ų151.457%0.5781%0.811SS**  trans-82.6157.1-178.700000113.1
75H26Very low25.8Very low192 Ų192148.9 Ų148.989%0.88982%0.815SS**  trans-151.8112.8147.5-81.2-62.9000112
76Q24.6Very low25.8Very low183 Ų183144.9 Ų144.986%0.85582%0.818SS**  trans-121.3169.3138.4-94.7-173.9-11.400105.1
77P34.7Very low26Very low120 Ų120143.5 Ų143.578%0.77982%0.818SS**  cis-138.9175.513.338.6-19000115
78A21.4Very low26Very low103 Ų103143.8 Ų143.885%0.85181%0.814SS**  trans-168.2131.1144.400000112.3
79T23.2Very low26.2Very low131 Ų131147.5 Ų147.580%0.80481%0.81SS**  trans-111.7157.8176.134.60000111.3
80L25.2Very low26.3Very low162 Ų162152.1 Ų152.185%0.84881%0.81SS**  trans95.3151.8161.3-63.9160.2000118.4
81P29Very low26.5Very low113 Ų113151 Ų15173%0.73481%0.81SS**  cis-132.4169.8-12.628.6-5.9000115.9
82W22.2Very low26.7Very low208 Ų208144.3 Ų144.379%0.78880%0.796SS**  trans-44.5134.1170.4-167.8-62.8000115.9
83V24.6Very low27.3Very low147 Ų147140 Ų14089%0.89180%0.797SS**  trans-130.3136.5152.6176.80000108.6
84Q27.8Very low27.3Very low162 Ų162137.7 Ų137.776%0.75780%0.795SS**  trans-101.1134.2-160.5-163.2168.8-11.600110.7
85G23.5Very low27.6Very low74 Ų74138.5 Ų138.576%0.76380%0.801SS**  trans104.3100.7143.900000118.7
86S25.4Very low28.3Very low119 Ų119137.6 Ų137.683%0.83280%0.795SS**  -163.1125.2129.3320000110.3
87K28.2Very low28.7Very low196 Ų196134 Ų13485%0.85278%0.781SS**  trans-64.1125.8-177.8-71.1174.5174.2178.60110.9
88V26.6Very low29Very low131 Ų131133.8 Ų133.879%0.79477%0.773SS**  trans-116.8112.3160.7176.30000106.7K90V88-K90 PolarHBondContact O-N 3.29Å
89H26.8Very low29.8Very low159 Ų159132.9 Ų132.974%0.73675%0.754SS**  trans-63.7117167.7-82.5-91.3000108D91H89-D91 PolarHBondContact O-N 2.73Å
90K27.7Very low30.9Very low203 Ų203131.5 Ų131.588%0.88374%0.741SS**  trans-80.499.8165.5-84.7-177.8171.1-179.70107.3V88V88-K90 PolarHBondContact O-N 3.29Å
91D28.9Very low31.6Very low151 Ų151132 Ų13281%0.80774%0.738SS**  trans-85.6110.2160.8-74.5-28000107.8H89H89-D91 PolarHBondContact O-N 2.73Å
92G30.8Very low32Very low62 Ų62132.9 Ų132.964%0.63974%0.737SS**  trans-70.8149.6171.200000110.6G94G92-G94 PolarHBondContact O-N 2.64Å
93P39.7Very low32.9Very low134 Ų134129.4 Ų129.487%0.8773%0.728SS**  trans-73.3113.917528.3-29.5000109.1A95P93-A95 PolarHBondContact O-N 3.28Å
94G33.1Very low33.5Very low72 Ų72127 Ų12774%0.74272%0.716SS**  trans-54.6128.4168.200000110.2G92 F96G92-G94 PolarHBondContact O-N 2.64Å; G94-F96 PolarHBondContact O-N 3.43Å
95A30.9Very low34.1Very low86 Ų86125.7 Ų125.771%0.71171%0.713SS**  trans-60.6110175.700000109.6P93 L97P93-A95 PolarHBondContact O-N 3.28Å; A95-L97 PolarHBondContact O-N 3.42Å
96F40.8Very low35.1Very low174 Ų174127.3 Ų127.376%0.76370%0.704SS**  trans-72.7105.9167.4-178.8-96.5000108G94 L98G94-F96 PolarHBondContact O-N 3.43Å; F96-L98 HydrophobicContact CD1-CD1 4.09Å; F96-L98 HydrophobicContact CE1-CD1 3.99Å; F96-L98 HydrophobicContact CE1-CG 4.13Å; F96-L98 PolarHBondContact O-N 3.18Å
97L32.8Very low35.7Very low106 Ų106126.5 Ų126.556%0.55570%0.698SS**  trans-67.6114.3167.6-175.772.7000107.7A95 D99A95-L97 PolarHBondContact O-N 3.42Å; L97-D99 VanDerWaalsContact C-N 3.25Å; L97-D99 PolarHBondContact O-N 2.65Å
98L41.3Very low36.2Very low117 Ų117125.8 Ų125.861%0.61370%0.695SS**  trans-68.687.3172.2-126.7106.9000108.5F96 L100F96-L98 HydrophobicContact CD1-CD1 4.09Å; F96-L98 HydrophobicContact CE1-CD1 3.99Å; F96-L98 HydrophobicContact CE1-CG 4.13Å; F96-L98 PolarHBondContact O-N 3.18Å; L98-L100 HydrophobicContact CB-CD1 4.44Å; L98-L100 HydrophobicContact CD2-CD1 3.75Å; L98-L100 PolarHBondContact O-N 2.71Å; L98-L100 VanDerWaalsContact O-N 3.11Å
99D38.3Very low37Very low84 Ų84122.3 Ų122.345%0.44968%0.68SS.*  trans-78.992.8176.2-168.40.6000109.7L97 H101 N102L97-D99 VanDerWaalsContact C-N 3.25Å; L97-D99 PolarHBondContact O-N 2.65Å; D99-H101 PolarHBondContact O-N 2.86Å; D99-H101 VanDerWaalsContact O-N 3.12Å; D99-H101 WeakPolarHBondContact OD1-CB 3.17Å; D99-H101 PolarHBondContact OD1-N 2.88Å; D99-N102 PolarHBondContact O-N 2.91Å
100L45.8Very low37.6Very low102 Ų102120.7 Ų120.753%0.53468%0.677SS.*G310 helixtrans-63.9-6.2174.6-99.176.5000113L98 N102L98-L100 HydrophobicContact CB-CD1 4.44Å; L98-L100 HydrophobicContact CD2-CD1 3.75Å; L98-L100 PolarHBondContact O-N 2.71Å; L98-L100 VanDerWaalsContact O-N 3.11Å; L100-N102 VanDerWaalsContact C-N 3.31Å
101H40Very low38.7Very low171 Ų171113.4 Ų113.479%0.79265%0.647SS**G310 helixtrans-82.8-6.8-179-146.6-69.5000113.7D99D99-H101 PolarHBondContact O-N 2.86Å; D99-H101 VanDerWaalsContact O-N 3.12Å; D99-H101 WeakPolarHBondContact OD1-CB 3.17Å; D99-H101 PolarHBondContact OD1-N 2.88Å
102N36.5Very low39.4Very low133 Ų133112.5 Ų112.571%0.71164%0.642SS**G310 helixtrans-101.411.3177.4-102.9-12.6000114.6D99 L100 P104D99-N102 PolarHBondContact O-N 2.91Å; L100-N102 VanDerWaalsContact C-N 3.31Å; N102-P104 WeakPolarHBondContact O-CD 3.05Å
103F42.2Very low39.9Very low134 Ų134112 Ų11259%0.58864%0.637SS**  trans-114.584.2171.7-67.2-81.9000110.3D105F103-D105 PolarHBondContact O-N 3.44Å
104P36.7Very low39.9Very low98 Ų98114.9 Ų114.964%0.63664%0.639SS**THydrogen-bonded Turntrans-68.50.6-175.827.9-34000114.8N102N102-P104 WeakPolarHBondContact O-CD 3.05Å
105D39.7Very low40.2Very low133 Ų133115 Ų11571%0.71162%0.623SS**THydrogen-bonded Turntrans-99.8-10.5-178.9-84.5-24.7000116.3F103F103-D105 PolarHBondContact O-N 3.44Å
106L44.9Very low40.6Very low109 Ų109116.2 Ų116.257%0.57162%0.623SS**THydrogen-bonded Turntrans-96.5-16.9178.7-66.7176.6000113.7K108L106-K108 PolarHBondContact O-N 3.49Å
107S38.8Very low40.3Very low101 Ų101113.8 Ų113.871%0.70662%0.618SS**THydrogen-bonded Turntrans-76.9-9.2179.761.80000113.8
108K38.3Very low40.7Very low182 Ų182114.5 Ų114.579%0.79162%0.621SS**THydrogen-bonded Turntrans-115.42.2179.4-65-178.2-176.3171.60114.2L106 D110L106-K108 PolarHBondContact O-N 3.49Å; K108-D110 PolarHBondContact O-N 3.07Å; K108-D110 VanDerWaalsContact O-N 3.09Å
109A43.1Very low40.1Very low57 Ų57116.2 Ų116.247%0.47163%0.626SS.*  trans-68.8109.8177.800000109.8I111A109-I111 WeakPolarHBondContact O-CG1 3.44Å; A109-I111 PolarHBondContact O-N 2.92Å
110D38.7Very low39.9Very low125 Ų125118 Ų11867%0.66864%0.64SS**  trans-69.8110.6176.7-174.97.8000110.2K108 N112K108-D110 PolarHBondContact O-N 3.07Å; K108-D110 VanDerWaalsContact O-N 3.09Å; D110-N112 VanDerWaalsContact C-N 3.25Å; D110-N112 PolarHBondContact O-N 2.86Å; D110-N112 PolarHBondContact OD1-N 3.37Å
111I51.5Low39.2Very low51 Ų51118.5 Ų118.526%0.26265%0.648SS.*THydrogen-bonded Turntrans-82.8-5.1-177.8-51.1176.8000111.1A109 F292 K295 K299A109-I111 WeakPolarHBondContact O-CG1 3.44Å; A109-I111 PolarHBondContact O-N 2.92Å; I111-F292 HydrophobicContact CD1-CD2 4.16Å; I111-F292 HydrophobicContact CD1-CE2 4.08Å; I111-K295 HydrophobicContact CD1-CD 4.11Å; I111-K299 HydrophobicContact CG2-CD 4.17Å
112N44.3Very low39.1Very low131 Ų131117.5 Ų117.570%0.70165%0.646SS**THydrogen-bonded Turntrans-100.9-0.4-179.3-78.614.7000114.3D110 K295D110-N112 VanDerWaalsContact C-N 3.25Å; D110-N112 PolarHBondContact O-N 2.86Å; D110-N112 PolarHBondContact OD1-N 3.37Å; N112-K295 PolarHBondContact OD1-NZ 3.36Å
113G40.9Very low38.7Very low52 Ų52118.9 Ų118.954%0.53665%0.648SS.*PPolyproline II helixtrans-77.9123.7176.300000113N115G113-N115 PolarHBondContact O-N 3.21Å
114Q40.2Very low38.4Very low194 Ų194118 Ų11891%0.90765%0.654SS**PPolyproline II helixtrans-64.3122.4164.4-112.1161.5-2700109P116Q114-P116 VanDerWaalsContact O-CD 3.31Å; Q114-P116 WeakPolarHBondContact O-CD 3Å
115N37.8Very low38.3Very low76 Ų76119.4 Ų119.441%0.40666%0.661SS.*PPolyproline II helixtrans-68.6127.9-171.4179.56.1000113.4G113 N117G113-N115 PolarHBondContact O-N 3.21Å; N115-N117 PolarHBondContact OD1-N 3.06Å; N115-N117 VanDerWaalsContact OD1-N 3.08Å
116P40.1Very low38.3Very low110 Ų110120.5 Ų120.571%0.71467%0.666SS**SBendtrans-126.7104.115132.5-12.8000109.4Q114Q114-P116 VanDerWaalsContact O-CD 3.31Å; Q114-P116 WeakPolarHBondContact O-CD 3Å
117N33.7Very low37.4Very low124 Ų124118.3 Ų118.366%0.66367%0.67SS**  trans67.2109-178-61.1-46.9000114.9N115 Q119N115-N117 PolarHBondContact OD1-N 3.06Å; N115-N117 VanDerWaalsContact OD1-N 3.08Å; N117-Q119 VanDerWaalsContact C-N 3.3Å; N117-Q119 HydrophobicContact CB-CG 4.24Å; N117-Q119 PolarHBondContact O-N 2.81Å
118I41.1Very low37Very low121 Ų121122 Ų12262%0.62168%0.681SS**  trans-58.596.2160.8-61.7167.5000107.4V120I118-V120 HydrophobicContact CG2-CG2 4.28Å
119Q30.1Very low37Very low152 Ų152123 Ų12371%0.7169%0.689SS**  trans-107.8102.9166.8-68.8-170.2-13.300107.1N117 T121N117-Q119 VanDerWaalsContact C-N 3.3Å; N117-Q119 HydrophobicContact CB-CG 4.24Å; N117-Q119 PolarHBondContact O-N 2.81Å; Q119-T121 PolarHBondContact O-N 3.42Å
120V32.8Very low36.3Very low122 Ų122123.9 Ų123.974%0.73970%0.703SS**  trans-81.997.2164-176.10000105.7I118 I122I118-V120 HydrophobicContact CG2-CG2 4.28Å; V120-I122 PolarHBondContact O-N 3.18Å
121T31.8Very low35.8Very low113 Ų113126.9 Ų126.969%0.69371%0.713SS**  trans-71.8108.5170.642.80000108.3Q119 E123Q119-T121 PolarHBondContact O-N 3.42Å; T121-E123 PolarHBondContact O-N 3.3Å
122I38.8Very low34.8Very low149 Ų149131.4 Ų131.476%0.76473%0.733SS**  trans-71.4111.2166.8-61.3167.3000106V120 V124V120-I122 PolarHBondContact O-N 3.18Å; I122-V124 PolarHBondContact O-N 2.81Å; I122-V124 VanDerWaalsContact O-N 3.12Å
123E27.8Very low34.2Very low162 Ų162131 Ų13176%0.75774%0.737SS**  trans-68.2108.1171.3-69.7-171166.800108.9T121 V125T121-E123 PolarHBondContact O-N 3.3Å; E123-V125 PolarHBondContact O-N 2.83Å
124V35.9Very low33.8Very low115 Ų115136.5 Ų136.570%0.69775%0.749SS**  trans-76.7108.7160.9-178.20000105.8I122 D126I122-V124 PolarHBondContact O-N 2.81Å; I122-V124 VanDerWaalsContact O-N 3.12Å; V124-D126 PolarHBondContact O-N 3.42Å
125V33.6Very low33.4Very low129 Ų129139.4 Ų139.478%0.78275%0.752SS**  trans-71.6107.4170.2179.60000107.4E123E123-V125 PolarHBondContact O-N 2.83Å
126D39.4Very low32.9Very low155 Ų155139.7 Ų139.783%0.82977%0.773SS**  trans-78.5133.9168.5-88.7-30.9000111V124V124-D126 PolarHBondContact O-N 3.42Å
127G27.7Very low32.4Very low64 Ų64142.5 Ų142.566%0.6678%0.781SS**  trans159.6122.1168.300000109.4
128L29.9Very low32.2Very low178 Ų178147.8 Ų147.893%0.93279%0.791SS**  cis-140.7154.823.3-85.9104.2000112
129E37.5Very low31.5Very low203 Ų203151 Ų15195%0.94980%0.801SS**  trans-49.5138.7170.6-62.5178.2148.400113.9
130G29.6Very low31.4Very low75 Ų75152 Ų15277%0.77381%0.806SS**  trans-159.877.9173.500000112
131H27.9Very low31Very low189 Ų189152 Ų15288%0.87581%0.811SS**  trans38115148.2-134.8-83.9000120.4
132E29.1Very low30.8Very low146 Ų146155.5 Ų155.568%0.68282%0.816SS**  trans-50.9154.3158.4-86.7-86.7130.700113.2E134E132-E134 PolarHBondContact OE2-N 3.23Å
133P32.3Very low30.8Very low122 Ų122153.6 Ų153.679%0.79281%0.814SS**  -140.5128.497.734.3-18.5000115.6
134E33.3Very low30.6Very low168 Ų168152.6 Ų152.679%0.78581%0.813SS**  trans11.2128.9141.3-68.8-163.5151.400119.1E132E132-E134 PolarHBondContact OE2-N 3.23Å
135R30.8Very low30.2Very low255 Ų255158 Ų15896%0.96282%0.822SS**  -163.6121.4129-107172.7-153.5-170.47.3112.7
136G28Very low29.8Very low82 Ų82156.4 Ų156.485%0.84582%0.822SS**  97.982.5129.700000119.3
137L30.4Very low29.8Very low169 Ų169154 Ų15489%0.88582%0.818SS**  trans-50.8134.5162.7-165.979.1000115
138R27.9Very low30.1Very low234 Ų234156.9 Ų156.988%0.88382%0.824SS**  trans-168.4105.4136.8-79.4-129.5170.1-146.5-3.5109.8
139K27.6Very low30.2Very low190 Ų190154.9 Ų154.983%0.82681%0.814SS**  84.612178.9-147.8175.5-169.81800114.1
140E26.9Very low30.1Very low173 Ų173156.2 Ų156.281%0.80881%0.811SS**  trans-60.5160.2-167.5-60.3169.712000117.9
141S23.8Very low30.5Very low121 Ų121162.4 Ų162.485%0.84681%0.811SS**  trans-150.5109.4134.961.40000112
142K28.9Very low31Very low186 Ų186160.9 Ų160.981%0.80981%0.809SS**  trans-88.7167.6153.7-83.2179.8178.5172.80107.9
143P38.2Very low31.2Very low110 Ų110165.8 Ų165.871%0.71482%0.822SS**  cis-153.2179.333.939.2-15.4000119.6
144N22.8Very low31.2Very low140 Ų140171.1 Ų171.175%0.74983%0.826SS**  trans84.899.1144.6-84.53.5000124.1
145W28.1Very low31.3Very low229 Ų229169.1 Ų169.187%0.86783%0.828SS**  46119.1117-123.1-65.9000121.4
146A24.8Very low31.2Very low95 Ų95165.6 Ų165.679%0.78582%0.822SS**  -170.2132.513000000111.1
147S40.3Very low31.3Very low106 Ų106168.2 Ų168.274%0.74182%0.822SS**  trans-80.6148.1171.8-40.30000111.6
148P34.5Very low31.1Very low123 Ų123165.8 Ų165.880%0.79982%0.819SS**  trans-130.1112.2155.927.5-9.4000111.5
149N31.3Very low31Very low136 Ų136159.9 Ų159.973%0.72781%0.814SS**  67.497.686.4-151.19000114.5R151N149-R151 PolarHBondContact O-N 3.24Å
150W34.7Very low30.9Very low232 Ų232155.5 Ų155.588%0.87981%0.807SS**  trans-89.77518058.3-78.9000110.4
151R39.8Very low30.8Very low205 Ų205152.5 Ų152.577%0.77481%0.805SS**  trans-138.8108.1161.5-75.7-172.4-177.6-1250.2106.2N149N149-R151 PolarHBondContact O-N 3.24Å
152N38.6Very low31Very low156 Ų156152.6 Ų152.683%0.83481%0.805SS**  trans166.327.4148.7-79.8-5.5000114.3
153W32.1Very low30.9Very low250 Ų250152.2 Ų152.295%0.94781%0.806SS**  trans-109.155.9174.7-94.122.9000113.7
154W31.6Very low30.4Very low233 Ų233156.3 Ų156.388%0.88382%0.816SS**  trans-143.3126.6155.1-63.7101000109.6
155P35.5Very low30.6Very low127 Ų127155.9 Ų155.983%0.82582%0.819SS**PPolyproline II helixtrans-96.4120152.54.714.9000109.1
156H28.9Very low30.7Very low180 Ų180154.6 Ų154.683%0.83382%0.822SS**PPolyproline II helixtrans-66.8140.1161.5-69.3-80.9000110
157T29.9Very low30.9Very low137 Ų137158.6 Ų158.684%0.8483%0.825SS**PPolyproline II helixtrans-82.7142163.543.60000110.4
158S26.3Very low30.5Very low119 Ų119162.3 Ų162.383%0.83283%0.83SS**  trans-164.2138.9153.6-70.80000110.6
159S26.9Very low30.2Very low110 Ų110162.7 Ų162.777%0.76983%0.825SS**  trans-54.4161-179.350.80000115.1
160S25.6Very low30.1Very low98 Ų98167.1 Ų167.169%0.68583%0.832SS**  -177.8144.566.1-47.10000113.3
161S24.2Very low29.9Very low110 Ų110160.6 Ų160.677%0.76982%0.822SS**  trans45.6124.2141.357.70000123.2
162S28.4Very low29.3Very low122 Ų122161.9 Ų161.985%0.85383%0.828SS**  -172.2150.7114.640.90000113.3
163H26.1Very low28.9Very low178 Ų178158 Ų15882%0.82483%0.825SS**  trans-51.5145.8-175.6-79.1-110.4000116.7
164Q28.9Very low28.8Very low196 Ų196157.1 Ų157.192%0.91682%0.821SS**  -176.8124.9110.5-95.81743100111
165T27.1Very low28.6Very low132 Ų132156 Ų15681%0.8182%0.822SS**  trans-90.4135.7167.731.70000109.2
166E29.4Very low28.5Very low201 Ų201155 Ų15594%0.93981%0.814SS**  trans-155.5135.6148.7-113.7172.6-157.200111
167E28.1Very low28.8Very low180 Ų180154.1 Ų154.184%0.84181%0.811SS**  trans-79.6148.7-172.8-62.3170.7137.200112
168H32.8Very low28.9Very low184 Ų184153.9 Ų153.985%0.85280%0.804SS**  trans-158.2119.9131.7-110.7-45.4000113.3
169D27.4Very low29.4Very low131 Ų131152.8 Ų152.870%0.70180%0.796SS**  trans-61146.2171.6-166.55.8000113.4
170R29.5Very low29.7Very low229 Ų229154.5 Ų154.586%0.86480%0.797SS**  trans-174.399.2145.1-101.5172.6-154.9112.9-0.1111.7
171S30.4Very low29.9Very low95 Ų95160 Ų16066%0.66481%0.809SS**  trans-58.4140.9156.3173.50000112.6
172Y27.9Very low30.3Very low232 Ų232162.4 Ų162.491%0.9181%0.812SS**  176.7134.8128.1-114.4-93000112
173G30Very low30.6Very low74 Ų74168.2 Ų168.276%0.76382%0.816SS**  trans111.278.8144.500000119.2
174R30Very low31.2Very low232 Ų232165.1 Ų165.188%0.87581%0.811SS**  trans-53.1137.1157.2174.2-171.2-118.5-159.9-1.8111.7
175K27.4Very low31.5Very low208 Ų208162 Ų16290%0.90481%0.808SS**  trans-156.2133.2133-98.5-174-170.3-175.40111.2
176T33.7Very low31.8Very low106 Ų106161.1 Ų161.165%0.6581%0.807SS**  trans-80.9168.2177.736.90000111.7
177E34.7Very low32Very low163 Ų163158.3 Ų158.376%0.76280%0.799SS**  trans108.3110.1155.5-67.5172.4-169.200117.5
178D31.2Very low32.3Very low131 Ų131162.2 Ų162.270%0.70181%0.806SS**  89.2101.9122.2-62.5-6.4000120.4
179S37.8Very low32.2Very low96 Ų96160.2 Ų160.267%0.67180%0.802SS**  95.9133.2112.7760000119.1
180N32.9Very low32.5Very low147 Ų147163.7 Ų163.779%0.78681%0.805SS**  trans8474.9150-54.7-36.6000118.7L182N180-L182 VanDerWaalsContact C-N 3.28Å; N180-L182 PolarHBondContact O-N 2.83Å
181F29.3Very low32.5Very low212 Ų212163 Ų16393%0.9380%0.802SS**  trans-8268.5158.6-161.1-96.1000110.7
182L33.7Very low32.4Very low161 Ų161162 Ų16284%0.84381%0.807SS**  trans-146.383.5164.9-74.9-178.3000110.3N180N180-L182 VanDerWaalsContact C-N 3.28Å; N180-L182 PolarHBondContact O-N 2.83Å
183R34Very low32.8Very low244 Ų244157 Ų15792%0.92181%0.806SS**  trans178.5149.2132.2-99.4168.9178.5168.30.5112.7
184P38.7Very low33Very low113 Ų113163 Ų16373%0.73481%0.811SS**  trans-91.5148.7-166.736.2-31.7000112.1
185P35.9Very low33.6Very low132 Ų132157.2 Ų157.286%0.85781%0.813SS**  trans-91.4107.1166.1-3.523000110.3
186S33.8Very low33.9Very low112 Ų112155.3 Ų155.378%0.78381%0.807SS**  trans-75147.9147.1490000109.2
187D33.4Very low34Very low142 Ų142155.8 Ų155.876%0.75981%0.81SS**  trans106.188.6155.4-137.18.4000117.1
188W32.9Very low34.1Very low263 Ų263156.1 Ų156.1100%0.99681%0.811SS**  trans-139.497.3147.4-111.5-64.4000108.8
189D31.5Very low34.3Very low142 Ų142158.9 Ų158.976%0.75981%0.813SS**  trans-116.8105.1166.1-140.2-14.4000109
190R33.2Very low34.2Very low203 Ų203159.7 Ų159.777%0.76681%0.81SS**  trans156.2117.8131.4-93.2177.2159.7165.8-1.3114.3
191R30.1Very low34.7Very low216 Ų216162.6 Ų162.682%0.81581%0.811SS**  109.2111.4125.7-136179.7-64.4-116.76.4116.3
192G29.4Very low35.4Very low74 Ų74159.8 Ų159.876%0.76380%0.803SS**  trans16566.216300000114.5
193S35.6Very low36.3Very low126 Ų126158.4 Ų158.488%0.88180%0.796SS**  trans-58126.1-177.7-41.60000114.5
194K34.6Very low37.2Very low201 Ų201148.6 Ų148.687%0.87477%0.772SS**  trans-143.2131.8150.9-97.6-178.3-178.9173.30109.1Q196K194-Q196 PolarHBondContact O-N 3.01Å
195A41.8Very low38.2Very low110 Ų110147.2 Ų147.291%0.90976%0.755SS**  trans-47.1114.6-17100000113.9
196Q34.3Very low39.7Very low168 Ų168142 Ų14279%0.78573%0.725SS**  trans-99.2119.8154.7-96.5171.4-4900106.9K194 E198K194-Q196 PolarHBondContact O-N 3.01Å; Q196-E198 VanDerWaalsContact C-N 3.32Å; Q196-E198 PolarHBondContact O-N 3.46Å
197T36Very low41.9Very low115 Ų115144.3 Ų144.371%0.70673%0.729SS**  trans-58.2102.3155.437.50000107.5Y199T197-Y199 WeakPolarHBondContact O-CD1 3.01Å; T197-Y199 VanDerWaalsContact O-CE1 3.23Å; T197-Y199 WeakPolarHBondContact O-CE1 3.24Å; T197-Y199 PolarHBondContact O-N 3.2Å; T197-Y199 VanDerWaalsContact O-N 3.15Å
198E35.8Very low44.3Very low171 Ų171141.2 Ų141.280%0.79971%0.707SS**  trans-59.899169.2-175.1168.1-161.800108.9Q196 D200Q196-E198 VanDerWaalsContact C-N 3.32Å; Q196-E198 PolarHBondContact O-N 3.46Å; E198-D200 VanDerWaalsContact C-N 3.32Å; E198-D200 PolarHBondContact O-N 3.25Å
199Y36Very low46.8Very low189 Ų189131 Ų13174%0.74168%0.675SS**  trans-81.193.5156.210.7-92.9000105.7T197 Y201T197-Y199 WeakPolarHBondContact O-CD1 3.01Å; T197-Y199 VanDerWaalsContact O-CE1 3.23Å; T197-Y199 WeakPolarHBondContact O-CE1 3.24Å; T197-Y199 PolarHBondContact O-N 3.2Å; T197-Y199 VanDerWaalsContact O-N 3.15Å; Y199-Y201 PolarHBondContact O-N 2.04Å
200D35.6Very low49.6Very low112 Ų112129.2 Ų129.260%0.59967%0.674SS**  trans-57.299.7171.3-156.47.2000108.3E198 M202E198-D200 VanDerWaalsContact C-N 3.32Å; E198-D200 PolarHBondContact O-N 3.25Å; D200-M202 VanDerWaalsContact C-N 3.25Å; D200-M202 PolarHBondContact O-N 3.29Å
201Y42.8Very low52.2Low209 Ų209122.2 Ų122.282%0.8265%0.648SS**  trans-73.989.7169.8-165.1-89.4000106Y199 D203Y199-Y201 PolarHBondContact O-N 2.04Å; Y201-D203 VanDerWaalsContact C-N 3.31Å; Y201-D203 PolarHBondContact O-N 3.29Å
202M43.7Very low54.8Low153 Ų153114.6 Ų114.675%0.75463%0.627SS**  trans-55.795.4169-80.7-81.9175.500109D200 G204D200-M202 VanDerWaalsContact C-N 3.25Å; D200-M202 PolarHBondContact O-N 3.29Å; M202-G204 VanDerWaalsContact C-N 3.27Å; M202-G204 PolarHBondContact O-N 3.26Å
203D53.4Low57.5Low131 Ų131115.2 Ų115.270%0.70163%0.625SS**  trans-65.290163.7-172.427.1000107.5Y201 E205Y201-D203 VanDerWaalsContact C-N 3.31Å; Y201-D203 PolarHBondContact O-N 3.29Å; D203-E205 PolarHBondContact O-N 3.04Å
204G53.8Low60Low39 Ų39110.5 Ų110.540%0.40259%0.592SS.*  trans-77.738.5-173.200000114.2M202 G206 C229 G230M202-G204 VanDerWaalsContact C-N 3.27Å; M202-G204 PolarHBondContact O-N 3.26Å; G204-G206 PolarHBondContact O-N 2.95Å; G204-C229 CarbonylContact O-C 3.37Å; G204-G230 WeakPolarHBondContact O-CA 2.98Å; G204-G230 PolarHBondContact O-N 2.88Å
205E59.2Low62.2Low84 Ų84104.9 Ų104.939%0.39358%0.578SS.*BIsolated β-bridgetrans-84.391.5163.5-145.883.9-148.900106.7D203 R227 S228 C229D203-E205 PolarHBondContact O-N 3.04Å; E205-R227 IonicContact OE1-CZ 3.08Å; E205-R227 VanDerWaalsContact OE1-CZ 3.26Å; E205-R227 IonicContact OE1-NE 3.74Å; E205-R227 PolarHBondContact OE1-NE 3.03Å; E205-R227 IonicContact OE1-NH2 2.65Å; E205-R227 PolarHBondContact OE1-NH2 3.08Å; E205-S228 CarbonylContact C-O 3.46Å; E205-C229 WeakPolarHBondContact OE1-CB 3.32Å
206G66.9Low64Low22 Ų22102 Ų10223%0.22755%0.549CS..PPolyproline II helixtrans-62.3152.117900000111.3G204 R227 S228G204-G206 PolarHBondContact O-N 2.95Å; G206-R227 WeakPolarHBondContact O-CB 3.45Å; G206-S228 WeakPolarHBondContact CA-OG 3.5Å; G206-S228 PolarHBondContact N-O 3.13Å
207D81.1Confident66.3Low160 Ų160100.1 Ų100.186%0.85655%0.549SS*.PPolyproline II helixtrans-58.6149.7174-77.1-43.1000111.4S209D207-S209 PolarHBondContact O-N 3.48Å
208W83.1Confident68.4Low78 Ų7896.2 Ų96.230%0.29553%0.526SS..PPolyproline II helixtrans-62.6134.1171.1-74.5104.6000111R225 T226 R227 A235 E237W208-R225 HydrophobicContact CD2-CG 4.26Å; W208-R225 HydrophobicContact CE3-CB 4.39Å; W208-R225 HydrophobicContact CE3-CG 3.66Å; W208-R225 HydrophobicContact CZ3-CG 4.21Å; W208-T226 VanDerWaalsContact CE3-C 3.44Å; W208-R227 HydrophobicContact CD2-CB 3.8Å; W208-R227 HydrophobicContact CD2-CG 3.83Å; W208-R227 VanDerWaalsContact CE2-CD 3.47Å; W208-R227 HydrophobicContact CE3-CB 3.69Å; W208-R227 HydrophobicContact CE3-CG 3.8Å; W208-R227 HydrophobicContact CG-CB 4.2Å; W208-R227 HydrophobicContact CH2-CG 3.84Å; W208-R227 HydrophobicContact CZ2-CG 3.87Å; W208-R227 HydrophobicContact CZ3-CB 4.13Å; W208-R227 HydrophobicContact CZ3-CG 3.81Å; W208-A235 HydrophobicContact CH2-CB 3.97Å; W208-A235 VanDerWaalsContact CZ3-O 3.29Å; W208-A235 WeakPolarHBondContact CZ3-O 3.44Å; W208-E237 HydrophobicContact CE3-CB 4.42Å; W208-E237 HydrophobicContact CH2-CB 3.66Å; W208-E237 HydrophobicContact CZ2-CB 4.24Å; W208-E237 HydrophobicContact CZ3-CB 3.75Å
209S85.6Confident70.5Confident47 Ų4788.8 Ų88.833%0.32950%0.495SS..PPolyproline II helixtrans-62.1160.4168.364.60000111.2D207 R225 T226D207-S209 PolarHBondContact O-N 3.48Å; S209-R225 WeakPolarHBondContact O-CB 3.04Å; S209-T226 WeakPolarHBondContact CB-O 3.34Å; S209-T226 PolarHBondContact N-O 3.38Å; S209-T226 PolarHBondContact OG-N 3.45Å; S209-T226 PolarHBondContact OG-O 3.32Å; S209-T226 PolarHBondContact OG-OG1 3.49Å
210S89.7Confident72.6Confident106 Ų10686 Ų8674%0.74149%0.494SS*.PPolyproline II helixtrans-58.7145169.8530000110.3S212S210-S212 PolarHBondContact O-N 3.49Å
211W87.6Confident74.8Confident56 Ų5680.8 Ų80.821%0.21247%0.466CS..PPolyproline II helixtrans-56.1136.8172.8-68.499.6000111.4Q223 R225 E237 R239W211-Q223 HydrophobicContact CE3-CB 4.36Å; W211-Q223 WeakPolarHBondContact CZ3-O 3.23Å; W211-R225 HydrophobicContact CD2-CB 4.12Å; W211-R225 HydrophobicContact CD2-CG 3.95Å; W211-R225 VanDerWaalsContact CE2-CD 3.42Å; W211-R225 HydrophobicContact CE3-CB 3.95Å; W211-R225 HydrophobicContact CE3-CG 3.81Å; W211-R225 HydrophobicContact CH2-CG 3.8Å; W211-R225 HydrophobicContact CZ2-CG 3.93Å; W211-R225 VanDerWaalsContact CZ2-NE 3.29Å; W211-R225 HydrophobicContact CZ3-CB 4.29Å; W211-R225 HydrophobicContact CZ3-CG 3.72Å; W211-E237 HydrophobicContact CH2-CB 4.17Å; W211-E237 HydrophobicContact CH2-CG 3.85Å; W211-E237 WeakPolarHBondContact CZ3-O 3.37Å; W211-R239 HydrophobicContact CD2-CG 4.09Å; W211-R239 VanDerWaalsContact CE2-CD 3.47Å; W211-R239 HydrophobicContact CE3-CG 3.76Å; W211-R239 VanDerWaalsContact CG-CZ 3.43Å; W211-R239 VanDerWaalsContact CG-NH2 3.33Å; W211-R239 HydrophobicContact CH2-CB 3.73Å; W211-R239 HydrophobicContact CH2-CG 3.69Å; W211-R239 HydrophobicContact CZ2-CB 4.29Å; W211-R239 HydrophobicContact CZ2-CG 4.02Å; W211-R239 HydrophobicContact CZ3-CB 3.92Å; W211-R239 HydrophobicContact CZ3-CG 3.56Å
212S85.3Confident76.8Confident55 Ų5574.7 Ų74.739%0.38545%0.447SS..PPolyproline II helixtrans-60.9161.2170.374.90000110.6S210 Q223 K224S210-S212 PolarHBondContact O-N 3.49Å; S212-Q223 VanDerWaalsContact O-CB 3.23Å; S212-Q223 WeakPolarHBondContact O-CB 3.4Å; S212-Q223 WeakPolarHBondContact OG-CA 3.36Å; S212-K224 WeakPolarHBondContact CB-O 3.31Å; S212-K224 PolarHBondContact N-O 2.94Å; S212-K224 PolarHBondContact OG-N 3.34Å; S212-K224 PolarHBondContact OG-O 2.98Å
213A86.2Confident78.6Confident88 Ų8868.9 Ų68.973%0.72742%0.418SS*.PPolyproline II helixtrans-54.9152.4164.700000110.4S215A213-S215 PolarHBondContact O-N 3.19Å
214C87.1Confident80.2Confident26 Ų2668.7 Ų68.718%0.17641%0.411CS..PPolyproline II helixtrans-58.5137.8173.8-168.70000109.6V216 C241 M243C214-V216 WeakPolarHBondContact CB-O 3.48Å; C214-V216 PolarHBondContact O-N 3.06Å; C214-V216 VanDerWaalsContact O-N 3.07Å; C214-V216 PolarHBondContact SG-O 3.3Å; C214-C241 WeakPolarHBondContact CA-SG 3.29Å; C214-C241 HydrophobicContact CB-CB 3.78Å; C214-C241 WeakPolarHBondContact CB-SG 3.35Å; C214-C241 WeakPolarHBondContact SG-CB 3.28Å; C214-C241 CovalentContact SG-SG 2.02Å; C214-C241 PolarHBondContact SG-SG 2.93Å; C214-M243 HydrophobicContact CB-CE 3.71Å
215S82.1Confident81.7Confident84 Ų8469.8 Ų69.859%0.58740%0.403SS*.SBendtrans-60.5-18.217962.30000113.6A213 G221 N222A213-S215 PolarHBondContact O-N 3.19Å; S215-G221 WeakPolarHBondContact OG-CA 3.25Å; S215-N222 WeakPolarHBondContact CB-O 3.44Å; S215-N222 PolarHBondContact N-O 3.12Å; S215-N222 PolarHBondContact OG-N 2.9Å; S215-N222 PolarHBondContact OG-O 2.58Å
216V79.6Confident82.8Confident48 Ų4868.6 Ų68.629%0.29140%0.402SS..  trans-127.4149.6178.9-55.10000110.6C214 C218 M243C214-V216 WeakPolarHBondContact CB-O 3.48Å; C214-V216 PolarHBondContact O-N 3.06Å; C214-V216 VanDerWaalsContact O-N 3.07Å; C214-V216 PolarHBondContact SG-O 3.3Å; V216-C218 WeakPolarHBondContact CB-O 3.37Å; V216-C218 WeakPolarHBondContact CG2-O 3.4Å; V216-M243 HydrophobicContact CG2-CB 4.44Å
217T81.7Confident83.6Confident130 Ų13071.2 Ų71.280%0.79841%0.405SS*.SBendtrans-91.1-5.7174.551.90000112.9M243T217-M243 WeakPolarHBondContact O-CG 3.24Å
218C80.4Confident83.4Confident33 Ų3366.6 Ų66.622%0.22339%0.385CS..SBendtrans-157.3147.5174.659.20000110.3V216 P244 C246V216-C218 WeakPolarHBondContact CB-O 3.37Å; V216-C218 WeakPolarHBondContact CG2-O 3.4Å; C218-P244 CarbonylContact C-O 3.38Å; C218-P244 WeakPolarHBondContact CA-O 3.39Å; C218-P244 WeakPolarHBondContact CB-O 3.35Å; C218-C246 HydrophobicContact CB-CB 3.8Å; C218-C246 WeakPolarHBondContact CB-SG 3.48Å; C218-C246 PolarHBondContact O-SG 2.86Å; C218-C246 WeakPolarHBondContact SG-CA 3.48Å; C218-C246 WeakPolarHBondContact SG-CB 3.22Å; C218-C246 CovalentContact SG-SG 2.03Å; C218-C246 PolarHBondContact SG-SG 2.91Å
219G79.1Confident83.1Confident14 Ų1464.7 Ų64.714%0.14438%0.384CS..EExtended strand (participates in β ladder)trans78.5-164.2-175.700000115M243 P244G219-M243 PolarHBondContact N-O 3.15Å; G219-M243 WeakPolarHBondContact O-CA 3.36Å; G219-M243 WeakPolarHBondContact O-CB 3.47Å; G219-M243 PolarHBondContact O-N 3.24Å; G219-P244 PolarHBondContact N-O 3.27Å
220N81.3Confident82.5Confident132 Ų13264 Ų6471%0.70638%0.384SS*.EExtended strand (participates in β ladder)trans-82.5124.6-179.3-54.382000110.7D242N220-D242 PolarHBondContact ND2-OD1 3.4Å
221G80.9Confident80.7Confident2 Ų270.9 Ų70.92%0.02140%0.395CS..EExtended strand (participates in β ladder)trans-133.6-169.5173.800000112.8S215 T240 C241S215-G221 WeakPolarHBondContact OG-CA 3.25Å; G221-T240 CarbonylContact O-C 3.46Å; G221-T240 WeakPolarHBondContact O-CA 3.32Å; G221-C241 PolarHBondContact N-O 3.03Å; G221-C241 PolarHBondContact O-N 2.9Å; G221-C241 PolarHBondContact O-SG 3.17Å; G221-C241 VanDerWaalsContact O-SG 3.33Å
222N84.9Confident79.2Confident80 Ų8073.5 Ų73.543%0.42843%0.429SS..EExtended strand (participates in β ladder)trans-130.4145.6-178.3-6354.8000110.2S215 R239 C241S215-N222 WeakPolarHBondContact CB-O 3.44Å; S215-N222 PolarHBondContact N-O 3.12Å; S215-N222 PolarHBondContact OG-N 2.9Å; S215-N222 PolarHBondContact OG-O 2.58Å; N222-R239 WeakPolarHBondContact CA-O 3.46Å; N222-C241 PolarHBondContact N-SG 2.78Å; N222-C241 VanDerWaalsContact N-SG 3.36Å
223Q81.3Confident77.7Confident31 Ų3173.4 Ų73.415%0.14543%0.428CS..EExtended strand (participates in β ladder)trans-125.4144.3173.224.4171.9-25.200108.3W211 S212 S238 R239 C241W211-Q223 HydrophobicContact CE3-CB 4.36Å; W211-Q223 WeakPolarHBondContact CZ3-O 3.23Å; S212-Q223 VanDerWaalsContact O-CB 3.23Å; S212-Q223 WeakPolarHBondContact O-CB 3.4Å; S212-Q223 WeakPolarHBondContact OG-CA 3.36Å; Q223-S238 WeakPolarHBondContact O-CA 3.13Å; Q223-R239 HydrophobicContact CG-CG 3.68Å; Q223-R239 PolarHBondContact N-O 2.79Å; Q223-R239 PolarHBondContact O-N 3.4Å; Q223-R239 VanDerWaalsContact OE1-CZ 3.27Å; Q223-C241 HydrophobicContact CG-CB 3.97Å
224K87.3Confident77.2Confident127 Ų12774 Ų7455%0.55242%0.422SS*.EExtended strand (participates in β ladder)trans-122.8148.3-174.1-63.5-179.7-177.7176.80110.4S212 T236 E237S212-K224 WeakPolarHBondContact CB-O 3.31Å; S212-K224 PolarHBondContact N-O 2.94Å; S212-K224 PolarHBondContact OG-N 3.34Å; S212-K224 PolarHBondContact OG-O 2.98Å; K224-T236 HydrophobicContact CB-CG2 4.46Å; K224-E237 CarbonylContact C-O 3.55Å; K224-E237 VanDerWaalsContact CA-O 3.24Å; K224-E237 WeakPolarHBondContact CA-O 3.41Å
225R85.2Confident76.3Confident62 Ų6274.2 Ų74.223%0.23443%0.426CS..EExtended strand (participates in β ladder)trans-134.4160.6166.664.2178.2-174.3176.8-4.1110W208 S209 W211 T236 E237W208-R225 HydrophobicContact CD2-CG 4.26Å; W208-R225 HydrophobicContact CE3-CB 4.39Å; W208-R225 HydrophobicContact CE3-CG 3.66Å; W208-R225 HydrophobicContact CZ3-CG 4.21Å; S209-R225 WeakPolarHBondContact O-CB 3.04Å; W211-R225 HydrophobicContact CD2-CB 4.12Å; W211-R225 HydrophobicContact CD2-CG 3.95Å; W211-R225 VanDerWaalsContact CE2-CD 3.42Å; W211-R225 HydrophobicContact CE3-CB 3.95Å; W211-R225 HydrophobicContact CE3-CG 3.81Å; W211-R225 HydrophobicContact CH2-CG 3.8Å; W211-R225 HydrophobicContact CZ2-CG 3.93Å; W211-R225 VanDerWaalsContact CZ2-NE 3.29Å; W211-R225 HydrophobicContact CZ3-CB 4.29Å; W211-R225 HydrophobicContact CZ3-CG 3.72Å; R225-T236 WeakPolarHBondContact O-CA 3.44Å; R225-E237 HydrophobicContact CG-CB 4.04Å; R225-E237 IonicContact CZ-OE2 3.86Å; R225-E237 PolarHBondContact N-O 2.91Å; R225-E237 IonicContact NE-OE2 2.64Å; R225-E237 PolarHBondContact NE-OE2 2.86Å; R225-E237 IonicContact NH2-OE1 3.11Å; R225-E237 IonicContact NH2-OE2 2.73Å; R225-E237 PolarHBondContact NH2-OE2 3.17Å; R225-E237 PolarHBondContact O-N 2.87Å
226T82.5Confident76.4Confident60 Ų6074.5 Ų74.537%0.36842%0.424SS..EExtended strand (participates in β ladder)trans-132.6147.6-17352.50000110.5W208 S209 T234 A235 T236W208-T226 VanDerWaalsContact CE3-C 3.44Å; S209-T226 WeakPolarHBondContact CB-O 3.34Å; S209-T226 PolarHBondContact N-O 3.38Å; S209-T226 PolarHBondContact OG-N 3.45Å; S209-T226 PolarHBondContact OG-O 3.32Å; S209-T226 PolarHBondContact OG-OG1 3.49Å; T226-T234 HydrophobicContact CG2-CG2 4.21Å; T226-A235 CarbonylContact C-O 3.6Å; T226-A235 VanDerWaalsContact CA-O 3.26Å; T226-A235 WeakPolarHBondContact CA-O 3.48Å; T226-T236 HydrophobicContact CG2-CG2 4.19Å
227R83.4Confident76.5Confident76 Ų7675.7 Ų75.729%0.28743%0.427SS..EExtended strand (participates in β ladder)trans-136.3151.9169.170.5170-171.8-177.911.9110.4E205 G206 W208 T234 A235E205-R227 IonicContact OE1-CZ 3.08Å; E205-R227 VanDerWaalsContact OE1-CZ 3.26Å; E205-R227 IonicContact OE1-NE 3.74Å; E205-R227 PolarHBondContact OE1-NE 3.03Å; E205-R227 IonicContact OE1-NH2 2.65Å; E205-R227 PolarHBondContact OE1-NH2 3.08Å; G206-R227 WeakPolarHBondContact O-CB 3.45Å; W208-R227 HydrophobicContact CD2-CB 3.8Å; W208-R227 HydrophobicContact CD2-CG 3.83Å; W208-R227 VanDerWaalsContact CE2-CD 3.47Å; W208-R227 HydrophobicContact CE3-CB 3.69Å; W208-R227 HydrophobicContact CE3-CG 3.8Å; W208-R227 HydrophobicContact CG-CB 4.2Å; W208-R227 HydrophobicContact CH2-CG 3.84Å; W208-R227 HydrophobicContact CZ2-CG 3.87Å; W208-R227 HydrophobicContact CZ3-CB 4.13Å; W208-R227 HydrophobicContact CZ3-CG 3.81Å; R227-T234 CarbonylContact O-C 3.54Å; R227-T234 VanDerWaalsContact O-CA 3.27Å; R227-T234 WeakPolarHBondContact O-CA 3.48Å; R227-A235 HydrophobicContact CG-CB 3.83Å; R227-A235 PolarHBondContact N-O 3.16Å; R227-A235 PolarHBondContact O-N 3.43Å
228S77.8Confident76.7Confident63 Ų6373.1 Ų73.144%0.44141%0.414SS..EExtended strand (participates in β ladder)trans-79.1133.7168.847.60000110E205 G206 C233E205-S228 CarbonylContact C-O 3.46Å; G206-S228 WeakPolarHBondContact CA-OG 3.5Å; G206-S228 PolarHBondContact N-O 3.13Å; S228-C233 WeakPolarHBondContact CA-O 3.24Å
229C76.5Confident76.5Confident39 Ų3976.9 Ų76.926%0.26442%0.424SS..BIsolated β-bridgetrans-110.930.7176.650.60000113G204 E205 C233G204-C229 CarbonylContact O-C 3.37Å; E205-C229 WeakPolarHBondContact OE1-CB 3.32Å; C229-C233 WeakPolarHBondContact CA-SG 3.48Å; C229-C233 WeakPolarHBondContact CB-SG 3.29Å; C229-C233 PolarHBondContact N-O 2.97Å; C229-C233 PolarHBondContact O-SG 2.94Å; C229-C233 WeakPolarHBondContact SG-CB 3.18Å; C229-C233 PolarHBondContact SG-O 3.45Å; C229-C233 VanDerWaalsContact SG-O 3.39Å; C229-C233 CovalentContact SG-SG 2.02Å; C229-C233 PolarHBondContact SG-SG 2.78Å
230G71.9Confident76.7Confident32 Ų3281 Ų8133%0.3345%0.446SS..SBendtrans104.6-151.9178.500000113.8G204 A232G204-G230 WeakPolarHBondContact O-CA 2.98Å; G204-G230 PolarHBondContact O-N 2.88Å; G230-A232 PolarHBondContact O-N 3.03Å
231Y52.2Low76.7Confident250 Ų25075.2 Ų75.298%0.9842%0.416SS*.THydrogen-bonded Turntrans-58.591.5-174.3-70.3-86000111.7
232A57.5Low76.8Confident111 Ų11181 Ų8192%0.91745%0.446SS*.THydrogen-bonded Turntrans72.734.2172.900000117.6G230G230-A232 PolarHBondContact O-N 3.03Å
233C52.1Low76.6Confident54 Ų5480.4 Ų80.437%0.36544%0.442SS..  trans-128.8143.7168.772.10000113.4S228 C229S228-C233 WeakPolarHBondContact CA-O 3.24Å; C229-C233 WeakPolarHBondContact CA-SG 3.48Å; C229-C233 WeakPolarHBondContact CB-SG 3.29Å; C229-C233 PolarHBondContact N-O 2.97Å; C229-C233 PolarHBondContact O-SG 2.94Å; C229-C233 WeakPolarHBondContact SG-CB 3.18Å; C229-C233 PolarHBondContact SG-O 3.45Å; C229-C233 VanDerWaalsContact SG-O 3.39Å; C229-C233 CovalentContact SG-SG 2.02Å; C229-C233 PolarHBondContact SG-SG 2.78Å
234T75.7Confident76.6Confident100 Ų10083.4 Ų83.461%0.61346%0.464SS*.EExtended strand (participates in β ladder)trans-124.4112.5176.6-55.40000109T226 R227T226-T234 HydrophobicContact CG2-CG2 4.21Å; R227-T234 CarbonylContact O-C 3.54Å; R227-T234 VanDerWaalsContact O-CA 3.27Å; R227-T234 WeakPolarHBondContact O-CA 3.48Å
235A69.5Low76Confident31 Ų3183 Ų8326%0.25647%0.468SS..EExtended strand (participates in β ladder)trans-81.4138.117200000109.6W208 T226 R227W208-A235 HydrophobicContact CH2-CB 3.97Å; W208-A235 VanDerWaalsContact CZ3-O 3.29Å; W208-A235 WeakPolarHBondContact CZ3-O 3.44Å; T226-A235 CarbonylContact C-O 3.6Å; T226-A235 VanDerWaalsContact CA-O 3.26Å; T226-A235 WeakPolarHBondContact CA-O 3.48Å; R227-A235 HydrophobicContact CG-CB 3.83Å; R227-A235 PolarHBondContact N-O 3.16Å; R227-A235 PolarHBondContact O-N 3.43Å
236T84.1Confident75.3Confident89 Ų8982.3 Ų82.355%0.54647%0.472SS..EExtended strand (participates in β ladder)trans-121.5131.4179.3-56.80000109.9K224 R225 T226K224-T236 HydrophobicContact CB-CG2 4.46Å; R225-T236 WeakPolarHBondContact O-CA 3.44Å; T226-T236 HydrophobicContact CG2-CG2 4.19Å
237E82.3Confident74.8Confident73 Ų7385.8 Ų85.834%0.34150%0.495SS..EExtended strand (participates in β ladder)trans-115.3140.5175.4-166.8-176.2179.300109.6W208 W211 K224 R225W208-E237 HydrophobicContact CE3-CB 4.42Å; W208-E237 HydrophobicContact CH2-CB 3.66Å; W208-E237 HydrophobicContact CZ2-CB 4.24Å; W208-E237 HydrophobicContact CZ3-CB 3.75Å; W211-E237 HydrophobicContact CH2-CB 4.17Å; W211-E237 HydrophobicContact CH2-CG 3.85Å; W211-E237 WeakPolarHBondContact CZ3-O 3.37Å; K224-E237 CarbonylContact C-O 3.55Å; K224-E237 VanDerWaalsContact CA-O 3.24Å; K224-E237 WeakPolarHBondContact CA-O 3.41Å; R225-E237 HydrophobicContact CG-CB 4.04Å; R225-E237 IonicContact CZ-OE2 3.86Å; R225-E237 PolarHBondContact N-O 2.91Å; R225-E237 IonicContact NE-OE2 2.64Å; R225-E237 PolarHBondContact NE-OE2 2.86Å; R225-E237 IonicContact NH2-OE1 3.11Å; R225-E237 IonicContact NH2-OE2 2.73Å; R225-E237 PolarHBondContact NH2-OE2 3.17Å; R225-E237 PolarHBondContact O-N 2.87Å
238S84.9Confident73.8Confident77 Ų7784.6 Ų84.654%0.53851%0.507SS..EExtended strand (participates in β ladder)trans-123.9134.1177.164.50000111.1Q223Q223-S238 WeakPolarHBondContact O-CA 3.13Å
239R76.4Confident72.4Confident112 Ų11286.1 Ų86.142%0.42351%0.506SS..EExtended strand (participates in β ladder)trans-125.3155.6171.774.6-179.4175.6171.24.1111W211 N222 Q223W211-R239 HydrophobicContact CD2-CG 4.09Å; W211-R239 VanDerWaalsContact CE2-CD 3.47Å; W211-R239 HydrophobicContact CE3-CG 3.76Å; W211-R239 VanDerWaalsContact CG-CZ 3.43Å; W211-R239 VanDerWaalsContact CG-NH2 3.33Å; W211-R239 HydrophobicContact CH2-CB 3.73Å; W211-R239 HydrophobicContact CH2-CG 3.69Å; W211-R239 HydrophobicContact CZ2-CB 4.29Å; W211-R239 HydrophobicContact CZ2-CG 4.02Å; W211-R239 HydrophobicContact CZ3-CB 3.92Å; W211-R239 HydrophobicContact CZ3-CG 3.56Å; N222-R239 WeakPolarHBondContact CA-O 3.46Å; Q223-R239 HydrophobicContact CG-CG 3.68Å; Q223-R239 PolarHBondContact N-O 2.79Å; Q223-R239 PolarHBondContact O-N 3.4Å; Q223-R239 VanDerWaalsContact OE1-CZ 3.27Å
240T82.3Confident71.3Confident99 Ų9989.3 Ų89.361%0.60752%0.517SS*.EExtended strand (participates in β ladder)trans-74.2149.3172.249.60000111.2G221G221-T240 CarbonylContact O-C 3.46Å; G221-T240 WeakPolarHBondContact O-CA 3.32Å
241C82.3Confident70.5Confident11 Ų1193 Ų937%0.07453%0.529CS..EExtended strand (participates in β ladder)trans-124.6132.7166.733.50000108.5C214 G221 N222 Q223C214-C241 WeakPolarHBondContact CA-SG 3.29Å; C214-C241 HydrophobicContact CB-CB 3.78Å; C214-C241 WeakPolarHBondContact CB-SG 3.35Å; C214-C241 WeakPolarHBondContact SG-CB 3.28Å; C214-C241 CovalentContact SG-SG 2.02Å; C214-C241 PolarHBondContact SG-SG 2.93Å; G221-C241 PolarHBondContact N-O 3.03Å; G221-C241 PolarHBondContact O-N 2.9Å; G221-C241 PolarHBondContact O-SG 3.17Å; G221-C241 VanDerWaalsContact O-SG 3.33Å; N222-C241 PolarHBondContact N-SG 2.78Å; N222-C241 VanDerWaalsContact N-SG 3.36Å; Q223-C241 HydrophobicContact CG-CB 3.97Å
242D82.8Confident70.6Confident123 Ų12384.1 Ų84.166%0.65851%0.508SS*.EExtended strand (participates in β ladder)trans-101.6110.5174.1-57.8-45.3000108.6N220N220-D242 PolarHBondContact ND2-OD1 3.4Å
243M81.4Confident70.1Confident68 Ų6885.2 Ų85.234%0.33549%0.492SS..EExtended strand (participates in β ladder)trans-103.3155.4-179.7-160.156.877.900109.2C214 V216 T217 G219C214-M243 HydrophobicContact CB-CE 3.71Å; V216-M243 HydrophobicContact CG2-CB 4.44Å; T217-M243 WeakPolarHBondContact O-CG 3.24Å; G219-M243 PolarHBondContact N-O 3.15Å; G219-M243 WeakPolarHBondContact O-CA 3.36Å; G219-M243 WeakPolarHBondContact O-CB 3.47Å; G219-M243 PolarHBondContact O-N 3.24Å
244P80.3Confident70.1Confident94 Ų9488.5 Ų88.561%0.6150%0.5SS*.PPolyproline II helixtrans-52145180-28.335.6000112.2C218 G219 C246C218-P244 CarbonylContact C-O 3.38Å; C218-P244 WeakPolarHBondContact CA-O 3.39Å; C218-P244 WeakPolarHBondContact CB-O 3.35Å; G219-P244 PolarHBondContact N-O 3.27Å; P244-C246 PolarHBondContact O-N 2.84Å
245N74.1Confident69.1Low120 Ų12087.6 Ų87.664%0.64249%0.494SS*.PPolyproline II helixtrans-55.7136.9-177.7-67.610.9000111.3F249N245-F249 HydrophobicContact CB-CE1 3.81Å; N245-F249 HydrophobicContact CB-CZ 4.19Å
246C72.1Confident68.1Low46 Ų4688.9 Ų88.931%0.31151%0.505SS..PPolyproline II helixtrans-63.8131.7179.7-62.10000110.7C218 P244 G248 F249C218-C246 HydrophobicContact CB-CB 3.8Å; C218-C246 WeakPolarHBondContact CB-SG 3.48Å; C218-C246 PolarHBondContact O-SG 2.86Å; C218-C246 WeakPolarHBondContact SG-CA 3.48Å; C218-C246 WeakPolarHBondContact SG-CB 3.22Å; C218-C246 CovalentContact SG-SG 2.03Å; C218-C246 PolarHBondContact SG-SG 2.91Å; P244-C246 PolarHBondContact O-N 2.84Å; C246-G248 PolarHBondContact O-N 3.04Å; C246-F249 WeakPolarHBondContact O-CD1 3.43Å; C246-F249 VanDerWaalsContact O-CE1 3.22Å; C246-F249 WeakPolarHBondContact O-CE1 3.41Å
247P72.4Confident66.4Low133 Ų13387.4 Ų87.486%0.86450%0.502SS*.THydrogen-bonded Turntrans-68.5116.9171.225-29.6000109.6
248G61.1Low65Low51 Ų5187.9 Ų87.953%0.52651%0.51SS..THydrogen-bonded Turntrans132.6-7.517200000117.8C246C246-G248 PolarHBondContact O-N 3.04Å
249F47.8Very low63.3Low95 Ų9590.6 Ų90.642%0.41751%0.514SS..Hα-helixtrans-82-19.2179.370.8-82.1000113.8N245 C246N245-F249 HydrophobicContact CB-CE1 3.81Å; N245-F249 HydrophobicContact CB-CZ 4.19Å; C246-F249 WeakPolarHBondContact O-CD1 3.43Å; C246-F249 VanDerWaalsContact O-CE1 3.22Å; C246-F249 WeakPolarHBondContact O-CE1 3.41Å
250E54.8Low62.1Low107 Ų10789.8 Ų89.850%0.552%0.521SS..Hα-helixtrans-76.3-28.9-178.3-62.3-164.5-177.300113K254E250-K254 WeakPolarHBondContact O-CD 3.4Å; E250-K254 VanDerWaalsContact O-CG 3.31Å; E250-K254 WeakPolarHBondContact O-CG 3.5Å; E250-K254 PolarHBondContact O-N 3.02Å; E250-K254 IonicContact OE2-NZ 3.88Å
251D55.1Low60.2Low108 Ų10889.3 Ų89.358%0.57852%0.522SS*.Hα-helixtrans-87.8-27.1-174.9-64.4-30.7000112.5T255D251-T255 VanDerWaalsContact O-CB 3.25Å; D251-T255 WeakPolarHBondContact O-CB 3.5Å; D251-T255 PolarHBondContact O-N 3.11Å; D251-T255 PolarHBondContact O-OG1 3.04Å
252A54Low58.6Low65 Ų6595.6 Ų95.654%0.53755%0.554SS.*Hα-helixtrans-70.7-39.4173.600000112.1A256A252-A256 WeakPolarHBondContact O-CB 3.48Å; A252-A256 PolarHBondContact O-N 3.34Å
253F47.6Very low57.1Low134 Ų13497.4 Ų97.459%0.58856%0.563SS**Hα-helixtrans-69.4-39.7177.4-101.9-93.5000112.7A257 F275F253-A257 WeakPolarHBondContact O-CB 3.36Å; F253-A257 PolarHBondContact O-N 2.84Å; F253-A257 VanDerWaalsContact O-N 3.16Å; F253-F275 HydrophobicContact CD1-CZ 4.45Å; F253-F275 AromaticContact CE1-CE1 3.92Å; F253-F275 HydrophobicContact CE1-CE1 3.92Å; F253-F275 AromaticContact CE1-CZ 3.76Å; F253-F275 HydrophobicContact CE1-CZ 3.76Å
254K52.2Low55.5Low122 Ų12296.9 Ų96.953%0.5357%0.57SS.*Hα-helixtrans-70.4-39.7177.1-71.4172-172.81630111.7E250 T258E250-K254 WeakPolarHBondContact O-CD 3.4Å; E250-K254 VanDerWaalsContact O-CG 3.31Å; E250-K254 WeakPolarHBondContact O-CG 3.5Å; E250-K254 PolarHBondContact O-N 3.02Å; E250-K254 IonicContact OE2-NZ 3.88Å; K254-T258 WeakPolarHBondContact O-CB 3.32Å; K254-T258 PolarHBondContact O-N 3.13Å; K254-T258 PolarHBondContact O-OG1 3.25Å
255T53.8Low53.8Low82 Ų8295.9 Ų95.950%0.50358%0.576SS.*Hα-helixtrans-68.8-42.3179.6-53.70000111.6D251 T258 E259D251-T255 VanDerWaalsContact O-CB 3.25Å; D251-T255 WeakPolarHBondContact O-CB 3.5Å; D251-T255 PolarHBondContact O-N 3.11Å; D251-T255 PolarHBondContact O-OG1 3.04Å; T255-T258 PolarHBondContact O-N 3.5Å; T255-E259 PolarHBondContact O-N 2.85Å
256A49Very low52.2Low57 Ų5799 Ų9947%0.47158%0.584SS.*Hα-helixtrans-65.2-39.8176.200000113A252 T258 V260A252-A256 WeakPolarHBondContact O-CB 3.48Å; A252-A256 PolarHBondContact O-N 3.34Å; A256-T258 VanDerWaalsContact C-N 3.31Å; A256-T258 PolarHBondContact O-N 3.23Å; A256-V260 WeakPolarHBondContact O-CG2 3.23Å; A256-V260 PolarHBondContact O-N 3.3Å
257A47.4Very low51.1Low59 Ų59105.2 Ų105.249%0.48861%0.614SS.*Hα-helixtrans-68.1-31.2176.500000112.8F253 S261F253-A257 WeakPolarHBondContact O-CB 3.36Å; F253-A257 PolarHBondContact O-N 2.84Å; F253-A257 VanDerWaalsContact O-N 3.16Å; A257-S261 PolarHBondContact O-N 3.45Å; A257-S261 PolarHBondContact O-OG 2.9Å
258T52.8Low50.1Low83 Ų83107.7 Ų107.751%0.50961%0.614SS.*Hα-helixtrans-80.3-37.4-178.8-47.80000111.9K254 T255 A256 S261 L262K254-T258 WeakPolarHBondContact O-CB 3.32Å; K254-T258 PolarHBondContact O-N 3.13Å; K254-T258 PolarHBondContact O-OG1 3.25Å; T255-T258 PolarHBondContact O-N 3.5Å; A256-T258 VanDerWaalsContact C-N 3.31Å; A256-T258 PolarHBondContact O-N 3.23Å; T258-S261 PolarHBondContact O-N 3.27Å; T258-L262 PolarHBondContact O-N 3.37Å
259E49.8Very low49.3Very low134 Ų134113.6 Ų113.663%0.62663%0.625SS**Hα-helixtrans-69.1-34.6176-77.7-162.8150.800113.2T255 S261 L262 L263T255-E259 PolarHBondContact O-N 2.85Å; E259-S261 VanDerWaalsContact C-N 3.35Å; E259-L262 PolarHBondContact O-N 3.1Å; E259-L263 PolarHBondContact O-N 3.5Å
260V51Low49.1Very low95 Ų95115.4 Ų115.458%0.57664%0.639SS**Hα-helixtrans-70.3-32.8175175.90000111.6A256 L262 L263 A264A256-V260 WeakPolarHBondContact O-CG2 3.23Å; A256-V260 PolarHBondContact O-N 3.3Å; V260-L262 VanDerWaalsContact C-N 3.34Å; V260-L262 PolarHBondContact O-N 3.4Å; V260-L263 PolarHBondContact O-N 3.28Å; V260-A264 PolarHBondContact O-N 3.44Å
261S42.8Very low48.7Very low88 Ų88113.9 Ų113.962%0.61565%0.645SS**Hα-helixtrans-70.8-26.5177.2-61.30000113.5A257 T258 E259A257-S261 PolarHBondContact O-N 3.45Å; A257-S261 PolarHBondContact O-OG 2.9Å; T258-S261 PolarHBondContact O-N 3.27Å; E259-S261 VanDerWaalsContact C-N 3.35Å
262L48.5Very low48.4Very low144 Ų144113 Ų11375%0.75464%0.644SS**Hα-helixtrans-82.3-22.7178.5-85.8157000113.4T258 E259 V260T258-L262 PolarHBondContact O-N 3.37Å; E259-L262 PolarHBondContact O-N 3.1Å; V260-L262 VanDerWaalsContact C-N 3.34Å; V260-L262 PolarHBondContact O-N 3.4Å
263L51.7Low48.2Very low160 Ų160117.3 Ų117.384%0.83865%0.653SS**Hα-helixtrans-86.7-29.5178.4-69.1172.3000113.1E259 V260 G265E259-L263 PolarHBondContact O-N 3.5Å; V260-L263 PolarHBondContact O-N 3.28Å; L263-G265 PolarHBondContact O-N 3.42Å
264A47Very low48.2Very low58 Ų58117.4 Ų117.448%0.47966%0.659SS.*  trans-97.772.3-179.200000110.9V260 K266V260-A264 PolarHBondContact O-N 3.44Å; A264-K266 PolarHBondContact O-N 3.29Å
265G44.7Very low47.7Very low72 Ų72118 Ų11874%0.74266%0.662SS**  trans-64.681168.100000111.4L263L263-G265 PolarHBondContact O-N 3.42Å
266K39.9Very low47.3Very low187 Ų187115.9 Ų115.981%0.81366%0.656SS**SBendtrans-178.7129.3157-101.4160.4-174.2-176.30110.5A264 E268A264-K266 PolarHBondContact O-N 3.29Å; K266-E268 VanDerWaalsContact C-N 3.25Å; K266-E268 PolarHBondContact O-N 3.43Å
267N50.2Low47.4Very low176 Ų176118.7 Ų118.794%0.94167%0.667SS**SBendtrans-71.861.1-177-66.8-22.8000113.6
268E51.5Low47.5Very low185 Ų185123 Ų12386%0.86468%0.681SS**  trans-155.742.4175.7-124.5172.9-148.300113.5K266K266-E268 VanDerWaalsContact C-N 3.25Å; K266-E268 PolarHBondContact O-N 3.43Å
269F43.6Very low47.7Very low174 Ų174122.9 Ų122.976%0.76368%0.681SS**  trans-127.2101.9172.6-131.8-96.3000109.9A271F269-A271 PolarHBondContact O-N 3.43Å
270N43.4Very low48.9Very low133 Ų133118.9 Ų118.971%0.71166%0.664SS**  trans-73.8114.3179-92.8-29.3000109.8T272 E273N270-T272 PolarHBondContact O-N 2.87Å; N270-E273 PolarHBondContact O-N 2.98Å
271A45.8Very low50.3Low75 Ų75117.4 Ų117.462%0.6266%0.658SS**THydrogen-bonded Turntrans-64.4-0-178.800000115.1F269 E273F269-A271 PolarHBondContact O-N 3.43Å; A271-E273 VanDerWaalsContact C-N 3.28Å
272T49.4Very low52.2Low89 Ų89113.2 Ų113.255%0.54663%0.628SS.*THydrogen-bonded Turntrans-68.7-25.2172.5-4.40000112.8N270 L274N270-T272 PolarHBondContact O-N 2.87Å; T272-L274 VanDerWaalsContact C-N 3.3Å; T272-L274 PolarHBondContact O-N 3.08Å
273E50.8Low54Low157 Ų157111 Ų11173%0.73461%0.614SS**G310 helixtrans-76.5-18.8-178.8-146.3173.2-163.300112.6N270 A271N270-E273 PolarHBondContact O-N 2.98Å; A271-E273 VanDerWaalsContact C-N 3.28Å
274L46.3Very low55.5Low136 Ų136110.9 Ų110.971%0.71260%0.603SS**G310 helixtrans-83.9-17.7-177.3-159.968.4000113.4T272T272-L274 VanDerWaalsContact C-N 3.3Å; T272-L274 PolarHBondContact O-N 3.08Å
275F42.6Very low57.4Low135 Ų135110.6 Ų110.659%0.59259%0.589SS**G310 helixtrans-117.416.9178.5-65.9-70.4000114.5F253 V277F253-F275 HydrophobicContact CD1-CZ 4.45Å; F253-F275 AromaticContact CE1-CE1 3.92Å; F253-F275 HydrophobicContact CE1-CE1 3.92Å; F253-F275 AromaticContact CE1-CZ 3.76Å; F253-F275 HydrophobicContact CE1-CZ 3.76Å; F275-V277 HydrophobicContact CB-CG2 4.48Å; F275-V277 WeakPolarHBondContact O-CG2 3.15Å; F275-V277 PolarHBondContact O-N 2.8Å
276G45.5Very low59.3Low36 Ų36109.6 Ų109.637%0.37157%0.566SS.*THydrogen-bonded Turntrans47.835.5161.800000116.1D278 T279G276-D278 PolarHBondContact O-N 3.32Å; G276-T279 PolarHBondContact O-N 2.76Å; G276-T279 PolarHBondContact O-OG1 3.45Å
277V51Low61.2Low116 Ų116105.2 Ų105.270%0.70355%0.551SS**THydrogen-bonded Turntrans-68.7-14.2-177.2-177.50000111.6F275F275-V277 HydrophobicContact CB-CG2 4.48Å; F275-V277 WeakPolarHBondContact O-CG2 3.15Å; F275-V277 PolarHBondContact O-N 2.8Å
278D48.9Very low62.6Low149 Ų149100.3 Ų100.380%0.79753%0.53SS*.THydrogen-bonded Turntrans-113.94.2-178.9-64.1-44.1000114.8G276 D280G276-D278 PolarHBondContact O-N 3.32Å; D278-D280 PolarHBondContact O-N 2.83Å
279T57.7Low63.7Low82 Ų82100.6 Ų100.650%0.50353%0.528SS..SBendtrans-82.9116.8173.848.10000110.5G276 S281G276-T279 PolarHBondContact O-N 2.76Å; G276-T279 PolarHBondContact O-OG1 3.45Å; T279-S281 PolarHBondContact O-N 3.26Å
280D74.8Confident65.6Low49 Ų4993.9 Ų93.926%0.26250%0.503SS..  trans-56.6126.2176174.126.7000110.7D278 C282 E283 R284 R417D278-D280 PolarHBondContact O-N 2.83Å; D280-C282 PolarHBondContact O-N 2.89Å; D280-C282 VanDerWaalsContact O-N 3.16Å; D280-C282 PolarHBondContact OD1-N 2.87Å; D280-C282 WeakPolarHBondContact OD2-CB 3.35Å; D280-E283 HydrophobicContact CB-CB 4.16Å; D280-E283 WeakPolarHBondContact O-CB 3.48Å; D280-E283 PolarHBondContact O-N 3.17Å; D280-R284 PolarHBondContact O-N 3.44Å; D280-R417 IonicContact OD2-CZ 3.84Å; D280-R417 IonicContact OD2-NH1 2.66Å; D280-R417 PolarHBondContact OD2-NH1 3.08Å; D280-R417 IonicContact OD2-NH2 2.82Å; D280-R417 PolarHBondContact OD2-NH2 3.02Å
281S80.9Confident67.3Low64 Ų6494 Ų9445%0.44850%0.499SS..Hα-helixtrans-59.4-30.3-176.7-66.10000112T279 W285 I410T279-S281 PolarHBondContact O-N 3.26Å; S281-W285 PolarHBondContact O-N 3.34Å; S281-W285 VanDerWaalsContact O-N 3.08Å; S281-I410 WeakPolarHBondContact O-CG2 3.31Å
282C83.1Confident69.1Low0 Ų094.6 Ų94.60%049%0.488CS..Hα-helixtrans-68.7-41.8174.1177.60000112D280 R284 W285 M286 I410 C411D280-C282 PolarHBondContact O-N 2.89Å; D280-C282 VanDerWaalsContact O-N 3.16Å; D280-C282 PolarHBondContact OD1-N 2.87Å; D280-C282 WeakPolarHBondContact OD2-CB 3.35Å; C282-R284 VanDerWaalsContact C-N 3.31Å; C282-R284 PolarHBondContact O-N 2.84Å; C282-W285 PolarHBondContact O-N 2.83Å; C282-M286 VanDerWaalsContact O-CG 3.29Å; C282-M286 WeakPolarHBondContact O-CG 3.35Å; C282-M286 PolarHBondContact O-N 3.36Å; C282-I410 HydrophobicContact CB-CG2 4.2Å; C282-C411 HydrophobicContact CB-CB 3.85Å; C282-C411 WeakPolarHBondContact CB-SG 3.4Å; C282-C411 VanDerWaalsContact SG-CA 3.51Å; C282-C411 WeakPolarHBondContact SG-CB 3.2Å; C282-C411 CovalentContact SG-SG 2.04Å; C282-C411 PolarHBondContact SG-SG 3.19Å
283E84.5Confident70.6Confident99 Ų9992.8 Ų92.846%0.46348%0.475SS..Hα-helixtrans-63.8-40.8176.9-172.7170.4-16700111.1D280 W285 M286 N287 R417D280-E283 HydrophobicContact CB-CB 4.16Å; D280-E283 WeakPolarHBondContact O-CB 3.48Å; D280-E283 PolarHBondContact O-N 3.17Å; E283-W285 VanDerWaalsContact C-N 3.31Å; E283-W285 PolarHBondContact O-N 3.42Å; E283-M286 PolarHBondContact O-N 3.39Å; E283-N287 VanDerWaalsContact CG-ND2 3.32Å; E283-N287 WeakPolarHBondContact CG-ND2 3.36Å; E283-N287 VanDerWaalsContact O-CB 3.28Å; E283-N287 WeakPolarHBondContact O-CB 3.5Å; E283-N287 PolarHBondContact O-N 3.06Å; E283-N287 PolarHBondContact O-ND2 3.42Å; E283-N287 VanDerWaalsContact O-ND2 3.13Å; E283-R417 VanDerWaalsContact N-NH2 3.1Å
284R84.7Confident72Confident157 Ų15791.7 Ų91.759%0.59247%0.468SS*.Hα-helixtrans-61.2-39.9174.1-170.4176.1-177.3161.44.1112.2D280 C282 C288D280-R284 PolarHBondContact O-N 3.44Å; C282-R284 VanDerWaalsContact C-N 3.31Å; C282-R284 PolarHBondContact O-N 2.84Å; R284-C288 PolarHBondContact O-N 3.46Å
285W85.4Confident73.8Confident52 Ų5290 Ų9020%0.19745%0.454CS..Hα-helixtrans-67.4-47.7175.4167.576.8000112.2S281 C282 E283 N287 C288 P407 Y418 A421 R422S281-W285 PolarHBondContact O-N 3.34Å; S281-W285 VanDerWaalsContact O-N 3.08Å; C282-W285 PolarHBondContact O-N 2.83Å; E283-W285 VanDerWaalsContact C-N 3.31Å; E283-W285 PolarHBondContact O-N 3.42Å; W285-N287 PolarHBondContact O-N 2.85Å; W285-C288 WeakPolarHBondContact O-CB 3.22Å; W285-C288 PolarHBondContact O-N 2.86Å; W285-C288 VanDerWaalsContact O-N 3.1Å; W285-P407 HydrophobicContact CD2-CB 3.69Å; W285-P407 HydrophobicContact CE3-CB 4.2Å; W285-P407 HydrophobicContact CG-CB 4.17Å; W285-P407 HydrophobicContact CH2-CB 3.95Å; W285-P407 HydrophobicContact CZ2-CB 3.43Å; W285-P407 VanDerWaalsContact CZ2-CB 3.43Å; W285-P407 HydrophobicContact CZ2-CG 4.08Å; W285-P407 HydrophobicContact CZ3-CB 4.32Å; W285-Y418 AromaticContact CH2-CD2 3.65Å; W285-Y418 HydrophobicContact CH2-CD2 3.65Å; W285-Y418 HydrophobicContact CH2-CE2 4.09Å; W285-Y418 HydrophobicContact CH2-CG 4.37Å; W285-Y418 HydrophobicContact CZ2-CD2 4.41Å; W285-Y418 HydrophobicContact CZ2-CE2 4.45Å; W285-Y418 HydrophobicContact CZ3-CD2 4.16Å; W285-A421 HydrophobicContact CH2-CB 3.42Å; W285-A421 VanDerWaalsContact CH2-CB 3.42Å; W285-A421 HydrophobicContact CZ2-CB 4.05Å; W285-A421 HydrophobicContact CZ3-CB 3.69Å; W285-R422 HydrophobicContact CH2-CG 4.01Å; W285-R422 HydrophobicContact CZ2-CG 4.11Å
286M84.9Confident75.8Confident50 Ų5085.3 Ų85.325%0.24643%0.433CS..Hα-helixtrans-59.3-36.8178.3-70.1177.173.400111.9C282 E283 C288 R417 Q420 A421C282-M286 VanDerWaalsContact O-CG 3.29Å; C282-M286 WeakPolarHBondContact O-CG 3.35Å; C282-M286 PolarHBondContact O-N 3.36Å; E283-M286 PolarHBondContact O-N 3.39Å; M286-C288 VanDerWaalsContact C-N 3.28Å; M286-C288 PolarHBondContact O-N 3.12Å; M286-R417 HydrophobicContact CE-CB 4.18Å; M286-R417 WeakPolarHBondContact CE-O 3.31Å; M286-R417 HydrophobicContact SD-CB 3.7Å; M286-R417 HydrophobicContact SD-CG 4.17Å; M286-Q420 HydrophobicContact CE-CB 3.97Å; M286-A421 HydrophobicContact CG-CB 4.48Å
287N80.4Confident77.7Confident95 Ų9586 Ų8651%0.50843%0.428SS..THydrogen-bonded Turntrans-87.812.6-179.4-69-39.6000113.7E283 W285 K289E283-N287 VanDerWaalsContact CG-ND2 3.32Å; E283-N287 WeakPolarHBondContact CG-ND2 3.36Å; E283-N287 VanDerWaalsContact O-CB 3.28Å; E283-N287 WeakPolarHBondContact O-CB 3.5Å; E283-N287 PolarHBondContact O-N 3.06Å; E283-N287 PolarHBondContact O-ND2 3.42Å; E283-N287 VanDerWaalsContact O-ND2 3.13Å; W285-N287 PolarHBondContact O-N 2.85Å; N287-K289 PolarHBondContact O-N 2.86Å; N287-K289 VanDerWaalsContact O-N 3.08Å
288C79.7Confident79.6Confident74 Ų7484.3 Ų84.350%0.542%0.417SS..  trans-67.6106178-171.90000111.5R284 W285 M286 S290R284-C288 PolarHBondContact O-N 3.46Å; W285-C288 WeakPolarHBondContact O-CB 3.22Å; W285-C288 PolarHBondContact O-N 2.86Å; W285-C288 VanDerWaalsContact O-N 3.1Å; M286-C288 VanDerWaalsContact C-N 3.28Å; M286-C288 PolarHBondContact O-N 3.12Å; C288-S290 PolarHBondContact O-N 3.45Å
289K74.7Confident81.4Confident190 Ų19080 Ų8083%0.82639%0.391SS*.  trans-96.563.5-178-66.5177.5-175.31760112.5N287N287-K289 PolarHBondContact O-N 2.86Å; N287-K289 VanDerWaalsContact O-N 3.08Å
290S82.9Confident83Confident33 Ų3376.3 Ų76.323%0.23137%0.369CS..  trans-89.7122.3173.5168.90000111.1C288 F292 L293 K294C288-S290 PolarHBondContact O-N 3.45Å; S290-F292 VanDerWaalsContact C-N 3.31Å; S290-F292 PolarHBondContact O-N 3.26Å; S290-L293 WeakPolarHBondContact O-CB 3.39Å; S290-L293 PolarHBondContact O-N 3.39Å; S290-L293 PolarHBondContact OG-N 3.45Å; S290-K294 WeakPolarHBondContact O-CB 3.49Å; S290-K294 PolarHBondContact O-N 2.98Å
291E80.2Confident83.7Confident135 Ų13577.6 Ų77.663%0.63139%0.386SS*.Hα-helixtrans-64.3-36.2176.5-69.8-57.1130.700112.2K294 K295E291-K294 PolarHBondContact O-N 3.28Å; E291-K295 WeakPolarHBondContact O-CB 3.18Å; E291-K295 PolarHBondContact O-N 2.81Å
292F83.7Confident84Confident88 Ų8879.9 Ų79.939%0.38639%0.393SS..Hα-helixtrans-59-50.7171.3168.9-94.9000110.6I111 S290 K294 K295 Y296I111-F292 HydrophobicContact CD1-CD2 4.16Å; I111-F292 HydrophobicContact CD1-CE2 4.08Å; S290-F292 VanDerWaalsContact C-N 3.31Å; S290-F292 PolarHBondContact O-N 3.26Å; F292-K294 VanDerWaalsContact C-N 3.31Å; F292-K294 PolarHBondContact O-N 3.15Å; F292-K295 PolarHBondContact O-N 3.11Å; F292-Y296 WeakPolarHBondContact O-CB 2.98Å; F292-Y296 PolarHBondContact O-N 2.67Å
293L80Confident84.3Confident52 Ų5281.8 Ų81.827%0.27240%0.404SS..Hα-helixtrans-60.7-44.2-178.2-173.465000110.6S290 Y296 M297 L390S290-L293 WeakPolarHBondContact O-CB 3.39Å; S290-L293 PolarHBondContact O-N 3.39Å; S290-L293 PolarHBondContact OG-N 3.45Å; L293-Y296 WeakPolarHBondContact O-CB 3.43Å; L293-Y296 PolarHBondContact O-N 3.33Å; L293-M297 HydrophobicContact CD1-CE 3.36Å; L293-M297 HydrophobicContact CD2-CE 4.1Å; L293-M297 HydrophobicContact CG-CE 3.54Å; L293-M297 VanDerWaalsContact O-CG 3.29Å; L293-M297 WeakPolarHBondContact O-CG 3.17Å; L293-M297 PolarHBondContact O-N 2.85Å; L293-L390 HydrophobicContact CD1-CD1 4.33Å
294K79.7Confident84.7Confident134 Ų13477.8 Ų77.858%0.58339%0.385SS*.Hα-helixtrans-60-47.7176.4-173.3-179.5178-174.60112.2S290 E291 F292 Y296 M297 T298S290-K294 WeakPolarHBondContact O-CB 3.49Å; S290-K294 PolarHBondContact O-N 2.98Å; E291-K294 PolarHBondContact O-N 3.28Å; F292-K294 VanDerWaalsContact C-N 3.31Å; F292-K294 PolarHBondContact O-N 3.15Å; K294-Y296 VanDerWaalsContact C-N 3.3Å; K294-Y296 PolarHBondContact O-N 3.15Å; K294-M297 PolarHBondContact O-N 3Å; K294-T298 PolarHBondContact O-N 2.84Å; K294-T298 VanDerWaalsContact O-N 3.12Å; K294-T298 PolarHBondContact O-OG1 3.43Å; K294-T298 VanDerWaalsContact O-OG1 3.12Å
295K83.9Confident85.2Confident99 Ų9970.4 Ų70.443%0.4336%0.358SS..Hα-helixtrans-61.8-40.3176.1-174.4173.7176.9-178.20111.3I111 N112 E291 F292 K299I111-K295 HydrophobicContact CD1-CD 4.11Å; N112-K295 PolarHBondContact OD1-NZ 3.36Å; E291-K295 WeakPolarHBondContact O-CB 3.18Å; E291-K295 PolarHBondContact O-N 2.81Å; F292-K295 PolarHBondContact O-N 3.11Å; K295-K299 PolarHBondContact O-N 3.31Å; K295-K299 VanDerWaalsContact O-N 3.11Å
296Y85.2Confident85.7Confident37 Ų3768.6 Ų68.615%0.14535%0.353CS..Hα-helixtrans-64.6-45.5176.4-173.1-101.9000112.1F292 L293 K294 T298 K299 V300 T364 L390F292-Y296 WeakPolarHBondContact O-CB 2.98Å; F292-Y296 PolarHBondContact O-N 2.67Å; L293-Y296 WeakPolarHBondContact O-CB 3.43Å; L293-Y296 PolarHBondContact O-N 3.33Å; K294-Y296 VanDerWaalsContact C-N 3.3Å; K294-Y296 PolarHBondContact O-N 3.15Å; Y296-T298 VanDerWaalsContact C-N 3.34Å; Y296-T298 PolarHBondContact O-N 3.29Å; Y296-K299 WeakPolarHBondContact O-CB 3.39Å; Y296-K299 PolarHBondContact O-N 2.77Å; Y296-K299 VanDerWaalsContact O-N 3.11Å; Y296-V300 HydrophobicContact CD1-CG2 3.86Å; Y296-V300 HydrophobicContact CE1-CG2 3.5Å; Y296-V300 HydrophobicContact CE2-CG2 4.35Å; Y296-V300 HydrophobicContact CG-CG2 4.42Å; Y296-V300 WeakPolarHBondContact O-CG2 3.27Å; Y296-V300 PolarHBondContact O-N 3.25Å; Y296-T364 HydrophobicContact CE2-CG2 4.12Å; Y296-L390 HydrophobicContact CD1-CD1 4.05Å; Y296-L390 HydrophobicContact CD1-CD2 4.35Å; Y296-L390 HydrophobicContact CE1-CB 4.11Å; Y296-L390 HydrophobicContact CE1-CD1 3.92Å; Y296-L390 HydrophobicContact CE1-CD2 3.94Å; Y296-L390 HydrophobicContact CE1-CG 4.22Å; Y296-L390 PolarHBondContact OH-O 2.85Å
297M86.3Confident86.3Confident52 Ų5266.2 Ų66.226%0.25634%0.342SS..Hα-helixtrans-58.2-44.8176.1-65.8-47.4172.500112.6L293 K294 K299 V300 A301 L390 R422L293-M297 HydrophobicContact CD1-CE 3.36Å; L293-M297 HydrophobicContact CD2-CE 4.1Å; L293-M297 HydrophobicContact CG-CE 3.54Å; L293-M297 VanDerWaalsContact O-CG 3.29Å; L293-M297 WeakPolarHBondContact O-CG 3.17Å; L293-M297 PolarHBondContact O-N 2.85Å; K294-M297 PolarHBondContact O-N 3Å; M297-K299 VanDerWaalsContact C-N 3.25Å; M297-K299 PolarHBondContact O-N 3.02Å; M297-V300 PolarHBondContact O-N 2.87Å; M297-A301 WeakPolarHBondContact O-CB 3.26Å; M297-A301 PolarHBondContact O-N 2.02Å; M297-L390 HydrophobicContact CE-CD1 3.76Å; M297-L390 HydrophobicContact SD-CD1 3.98Å; M297-L390 HydrophobicContact SD-CD2 3.77Å; M297-L390 HydrophobicContact SD-CG 4.43Å; M297-R422 VanDerWaalsContact CE-CZ 3.44Å; M297-R422 PolarHBondContact SD-NH1 2.97Å
298T89.2Confident87.1Confident80 Ų8062.2 Ų62.249%0.49132%0.32SS..Hα-helixtrans-60.9-40.3177.9-56.20000110.7K294 Y296 A301 N302K294-T298 PolarHBondContact O-N 2.84Å; K294-T298 VanDerWaalsContact O-N 3.12Å; K294-T298 PolarHBondContact O-OG1 3.43Å; K294-T298 VanDerWaalsContact O-OG1 3.12Å; Y296-T298 VanDerWaalsContact C-N 3.34Å; Y296-T298 PolarHBondContact O-N 3.29Å; T298-A301 PolarHBondContact O-N 3.39Å; T298-N302 VanDerWaalsContact O-CG 3.25Å; T298-N302 PolarHBondContact O-N 2.9Å; T298-N302 PolarHBondContact O-ND2 2.86Å; T298-N302 VanDerWaalsContact O-ND2 3.15Å
299K88.6Confident87.9Confident57 Ų5760.9 Ų60.925%0.24831%0.311CS..Hα-helixtrans-64.4-46.8175.8-170174.3-174.2-174.80111.6I111 K295 Y296 M297 A301 N302 D303 T363 T364I111-K299 HydrophobicContact CG2-CD 4.17Å; K295-K299 PolarHBondContact O-N 3.31Å; K295-K299 VanDerWaalsContact O-N 3.11Å; Y296-K299 WeakPolarHBondContact O-CB 3.39Å; Y296-K299 PolarHBondContact O-N 2.77Å; Y296-K299 VanDerWaalsContact O-N 3.11Å; M297-K299 VanDerWaalsContact C-N 3.25Å; M297-K299 PolarHBondContact O-N 3.02Å; K299-A301 VanDerWaalsContact C-N 3.35Å; K299-A301 PolarHBondContact O-N 3Å; K299-N302 PolarHBondContact O-N 2.96Å; K299-N302 VanDerWaalsContact O-N 3.16Å; K299-D303 VanDerWaalsContact CG-OD2 3.29Å; K299-D303 WeakPolarHBondContact CG-OD2 3.34Å; K299-D303 WeakPolarHBondContact O-CB 3.42Å; K299-D303 VanDerWaalsContact O-CG 3.25Å; K299-D303 PolarHBondContact O-N 3.44Å; K299-T363 WeakPolarHBondContact CE-O 3.29Å; K299-T363 PolarHBondContact NZ-O 3.31Å; K299-T364 HydrophobicContact CB-CG2 4.36Å; K299-T364 HydrophobicContact CD-CG2 3.85Å; K299-T364 HydrophobicContact CG-CG2 3.73Å
300V90.2Very high89Confident6 Ų655.5 Ų55.54%0.03630%0.298CS..Hα-helixtrans-58.3-45.3176.3170.20000111.6Y296 M297 N302 D303 L304 T364 A366 L390Y296-V300 HydrophobicContact CD1-CG2 3.86Å; Y296-V300 HydrophobicContact CE1-CG2 3.5Å; Y296-V300 HydrophobicContact CE2-CG2 4.35Å; Y296-V300 HydrophobicContact CG-CG2 4.42Å; Y296-V300 WeakPolarHBondContact O-CG2 3.27Å; Y296-V300 PolarHBondContact O-N 3.25Å; M297-V300 PolarHBondContact O-N 2.87Å; V300-N302 PolarHBondContact O-N 3.05Å; V300-D303 PolarHBondContact O-N 2.76Å; V300-L304 HydrophobicContact CG1-CD1 3.44Å; V300-L304 VanDerWaalsContact CG1-CD1 3.44Å; V300-L304 HydrophobicContact CG1-CG 3.93Å; V300-L304 WeakPolarHBondContact O-CB 3.21Å; V300-L304 VanDerWaalsContact O-CG 3.28Å; V300-L304 WeakPolarHBondContact O-CG 3.48Å; V300-L304 PolarHBondContact O-N 3.14Å; V300-T364 HydrophobicContact CG2-CG2 4.03Å; V300-A366 HydrophobicContact CB-CB 4.32Å; V300-A366 HydrophobicContact CG1-CB 3.74Å; V300-A366 HydrophobicContact CG2-CB 3.64Å; V300-L390 HydrophobicContact CG1-CD2 4.16Å; V300-L390 HydrophobicContact CG2-CD2 4.18Å
301A89.4Confident89.6Confident75 Ų7554.6 Ų54.662%0.6229%0.289SS*.Hα-helixtrans-63.1-29.6178.800000113.4M297 T298 K299M297-A301 WeakPolarHBondContact O-CB 3.26Å; M297-A301 PolarHBondContact O-N 2.02Å; T298-A301 PolarHBondContact O-N 3.39Å; K299-A301 VanDerWaalsContact C-N 3.35Å; K299-A301 PolarHBondContact O-N 3Å
302N88.3Confident90.4Very high112 Ų11248.9 Ų48.960%0.59926%0.264SS*.Hα-helixtrans-85.5-33178-68-26.4000113.1T298 K299 V300T298-N302 VanDerWaalsContact O-CG 3.25Å; T298-N302 PolarHBondContact O-N 2.9Å; T298-N302 PolarHBondContact O-ND2 2.86Å; T298-N302 VanDerWaalsContact O-ND2 3.15Å; K299-N302 PolarHBondContact O-N 2.96Å; K299-N302 VanDerWaalsContact O-N 3.16Å; V300-N302 PolarHBondContact O-N 3.05Å
303D87.7Confident90.9Very high40 Ų4048 Ų4821%0.21427%0.266CS..Hα-helixtrans-85.3-32.4-173.5-70.4-14.7000112.5K299 V300 R329 T363 T364K299-D303 VanDerWaalsContact CG-OD2 3.29Å; K299-D303 WeakPolarHBondContact CG-OD2 3.34Å; K299-D303 WeakPolarHBondContact O-CB 3.42Å; K299-D303 VanDerWaalsContact O-CG 3.25Å; K299-D303 PolarHBondContact O-N 3.44Å; V300-D303 PolarHBondContact O-N 2.76Å; D303-R329 PolarHBondContact O-NH2 3.33Å; D303-T363 PolarHBondContact OD1-OG1 2.82Å; D303-T363 WeakPolarHBondContact OD2-CB 3.18Å; D303-T363 PolarHBondContact OD2-OG1 2.78Å; D303-T364 WeakPolarHBondContact OD2-CG2 3.47Å
304L93.3Very high91.6Very high15 Ų1551 Ų518%0.07928%0.279CS..SBendtrans-76.8143.9-176.2-70.5-172.9000112.9V300 A366 Q368 P388V300-L304 HydrophobicContact CG1-CD1 3.44Å; V300-L304 VanDerWaalsContact CG1-CD1 3.44Å; V300-L304 HydrophobicContact CG1-CG 3.93Å; V300-L304 WeakPolarHBondContact O-CB 3.21Å; V300-L304 VanDerWaalsContact O-CG 3.28Å; V300-L304 WeakPolarHBondContact O-CG 3.48Å; V300-L304 PolarHBondContact O-N 3.14Å; L304-A366 HydrophobicContact CD1-CB 4.22Å; L304-A366 HydrophobicContact CD2-CB 4.26Å; L304-A366 HydrophobicContact CG-CB 4.46Å; L304-Q368 HydrophobicContact CB-CB 4.32Å; L304-Q368 HydrophobicContact CD1-CB 4.26Å; L304-Q368 HydrophobicContact CD2-CB 4.46Å; L304-P388 HydrophobicContact CD1-CB 3.71Å
305P95.5Very high92.3Very high3 Ų344.8 Ų44.82%0.01925%0.252CS..PPolyproline II helixtrans-68.7156.3174.928.8-34.2000111.9D324 F331 W333 Q368P305-D324 HydrophobicContact CB-CB 4.45Å; P305-F331 HydrophobicContact CB-CB 4.13Å; P305-F331 HydrophobicContact CB-CD1 3.81Å; P305-F331 HydrophobicContact CB-CD2 3.59Å; P305-F331 HydrophobicContact CB-CE1 3.98Å; P305-F331 HydrophobicContact CB-CE2 3.77Å; P305-F331 HydrophobicContact CB-CG 3.58Å; P305-F331 HydrophobicContact CB-CZ 3.92Å; P305-F331 HydrophobicContact CG-CB 4.1Å; P305-F331 HydrophobicContact CG-CD1 3.71Å; P305-F331 HydrophobicContact CG-CD2 4.33Å; P305-F331 HydrophobicContact CG-CE1 4.11Å; P305-F331 HydrophobicContact CG-CG 3.8Å; P305-W333 HydrophobicContact CB-CZ2 3.85Å; P305-W333 HydrophobicContact CG-CH2 3.92Å; P305-W333 HydrophobicContact CG-CZ2 3.43Å; P305-W333 VanDerWaalsContact CG-CZ2 3.43Å; P305-Q368 HydrophobicContact CG-CB 4.02Å; P305-Q368 WeakPolarHBondContact O-CG 3.23Å
306S95.8Very high92.6Very high13 Ų1342.7 Ų42.79%0.09125%0.253CS..PPolyproline II helixtrans-75.5148.5169.1-61.80000112.1D324 L326 N425S306-D324 PolarHBondContact N-OD2 3Å; S306-L326 WeakPolarHBondContact OG-CD1 3.38Å; S306-N425 WeakPolarHBondContact CA-OD1 3.47Å
307C97.4Very high92.8Very high1 Ų151 Ų511%0.00729%0.286CS..PPolyproline II helixtrans-66.8129.5177.3-73.40000111.6C370 L378 N425C307-C370 WeakPolarHBondContact CA-SG 3.48Å; C307-C370 HydrophobicContact CB-CB 3.82Å; C307-C370 WeakPolarHBondContact CB-SG 3.47Å; C307-C370 WeakPolarHBondContact SG-CB 3.39Å; C307-C370 CovalentContact SG-SG 2.03Å; C307-C370 PolarHBondContact SG-SG 2.85Å; C307-L378 HydrophobicContact CB-CD1 3.69Å; C307-L378 HydrophobicContact CB-CD2 3.63Å; C307-L378 HydrophobicContact CB-CG 4.34Å; C307-N425 WeakPolarHBondContact CB-O 3.31Å; C307-N425 PolarHBondContact N-OD1 3.46Å
308P97.1Very high93Very high10 Ų1052.3 Ų52.37%0.06530%0.3CS..PPolyproline II helixtrans-62.8139.4170.1-20.631.8000111.3S310 P312 V322 I354 Y372P308-S310 PolarHBondContact O-N 3.17Å; P308-P312 HydrophobicContact CG-CG 4.38Å; P308-V322 HydrophobicContact CG-CG1 3.95Å; P308-I354 HydrophobicContact CG-CD1 4.43Å; P308-Y372 VanDerWaalsContact O-CE1 3.27Å; P308-Y372 WeakPolarHBondContact O-CE1 3.22Å; P308-Y372 PolarHBondContact O-OH 3.14Å
309C96.8Very high93.3Very high46 Ų4651.6 Ų51.631%0.31130%0.295SS..SBendtrans-66.7-23.5-179.1-58.70000114.4L378 C430C309-L378 PolarHBondContact O-N 3.29Å; C309-C430 WeakPolarHBondContact CA-SG 3.44Å; C309-C430 HydrophobicContact CB-CB 3.74Å; C309-C430 WeakPolarHBondContact CB-SG 3.14Å; C309-C430 VanDerWaalsContact SG-CA 3.53Å; C309-C430 WeakPolarHBondContact SG-CB 3.33Å; C309-C430 CovalentContact SG-SG 2.03Å; C309-C430 PolarHBondContact SG-SG 3.39Å
310S97.1Very high93.6Very high78 Ų7849.6 Ų49.655%0.54529%0.29SS..BIsolated β-bridgetrans-124.7144.7176.955.10000110.6P308 P312 Y372 M376P308-S310 PolarHBondContact O-N 3.17Å; S310-P312 WeakPolarHBondContact O-CD 3.49Å; S310-Y372 VanDerWaalsContact C-CE1 3.42Å; S310-M376 WeakPolarHBondContact CA-O 3.44Å
311Y97.3Very high93.8Very high13 Ų1354.1 Ų54.15%0.05131%0.313CS..  trans-61.5122176.7-179.6-93.8000110.4T313 A316 D335 Y352 I354 Y372 M376Y311-T313 HydrophobicContact CD1-CG2 4.23Å; Y311-T313 PolarHBondContact O-N 3.18Å; Y311-T313 VanDerWaalsContact O-N 3.17Å; Y311-A316 HydrophobicContact CE1-CB 4.24Å; Y311-A316 WeakPolarHBondContact OH-CA 3.34Å; Y311-A316 PolarHBondContact OH-N 2.9Å; Y311-D335 PolarHBondContact OH-OD1 3.47Å; Y311-Y352 HydrophobicContact CD2-CG 4.44Å; Y311-Y352 HydrophobicContact CE2-CG 4.43Å; Y311-I354 HydrophobicContact CD2-CG2 3.68Å; Y311-I354 HydrophobicContact CE2-CG2 3.28Å; Y311-Y372 AromaticContact CD2-CD2 3.68Å; Y311-Y372 HydrophobicContact CD2-CD2 3.68Å; Y311-Y372 AromaticContact CD2-CE2 3.96Å; Y311-Y372 HydrophobicContact CD2-CE2 3.96Å; Y311-Y372 HydrophobicContact CD2-CG 4.22Å; Y311-Y372 HydrophobicContact CG-CD2 4.41Å; Y311-Y372 VanDerWaalsContact N-CE1 3.3Å; Y311-M376 HydrophobicContact CD1-SD 4.49Å; Y311-M376 PolarHBondContact N-O 3.3Å
312P96.1Very high94.1Very high16 Ų1651.9 Ų51.910%0.10429%0.292CS..  trans-73106.2174.6-9.525.1000109.5P308 S310 E314 V315 V322 I354P308-P312 HydrophobicContact CG-CG 4.38Å; S310-P312 WeakPolarHBondContact O-CD 3.49Å; P312-E314 PolarHBondContact O-N 2.72Å; P312-E314 VanDerWaalsContact O-N 3.13Å; P312-V315 HydrophobicContact CB-CG2 3.94Å; P312-V315 HydrophobicContact CG-CG2 4.35Å; P312-V315 VanDerWaalsContact O-CB 3.23Å; P312-V315 WeakPolarHBondContact O-CB 3.34Å; P312-V315 PolarHBondContact O-N 3.23Å; P312-V322 HydrophobicContact CB-CG2 4.12Å; P312-V322 HydrophobicContact CG-CG2 3.9Å; P312-I354 HydrophobicContact CG-CD1 4.22Å
313T94.3Very high94.5Very high68 Ų6851.3 Ų51.342%0.41729%0.285SS..G310 helixtrans-63.4-22.4-171.144.80000114.4Y311 V315 A316 M376Y311-T313 HydrophobicContact CD1-CG2 4.23Å; Y311-T313 PolarHBondContact O-N 3.18Å; Y311-T313 VanDerWaalsContact O-N 3.17Å; T313-V315 PolarHBondContact O-N 3.16Å; T313-A316 WeakPolarHBondContact O-CB 3.49Å; T313-A316 PolarHBondContact O-N 2.06Å; T313-M376 HydrophobicContact CG2-CE 4.25Å; T313-M376 HydrophobicContact CG2-SD 3.88Å
314E93.4Very high94.8Very high117 Ų11749.5 Ų49.555%0.54728%0.276SS..G310 helixtrans-61.6-30.5176-58.671.4-152.900111.3P312 A316 Y317 S318 A320P312-E314 PolarHBondContact O-N 2.72Å; P312-E314 VanDerWaalsContact O-N 3.13Å; E314-A316 PolarHBondContact O-N 3.11Å; E314-Y317 PolarHBondContact O-N 2.82Å; E314-S318 PolarHBondContact O-N 3.49Å; E314-A320 HydrophobicContact CB-CB 3.91Å
315V94.6Very high94.7Very high3 Ų352.6 Ų52.62%0.01830%0.297CS..G310 helixtrans-66.2-24.1-178.4177.20000112.3P312 T313 Y317 S318 A320 W333 D335 I354P312-V315 HydrophobicContact CB-CG2 3.94Å; P312-V315 HydrophobicContact CG-CG2 4.35Å; P312-V315 VanDerWaalsContact O-CB 3.23Å; P312-V315 WeakPolarHBondContact O-CB 3.34Å; P312-V315 PolarHBondContact O-N 3.23Å; T313-V315 PolarHBondContact O-N 3.16Å; V315-Y317 PolarHBondContact O-N 3.32Å; V315-S318 CarbonylContact C-O 3.57Å; V315-S318 WeakPolarHBondContact CA-O 3.4Å; V315-A320 HydrophobicContact CG2-CB 3.53Å; V315-W333 HydrophobicContact CG2-CB 4.08Å; V315-D335 HydrophobicContact CG1-CB 4.05Å; V315-D335 WeakPolarHBondContact O-CB 2.98Å; V315-I354 HydrophobicContact CB-CG2 4.37Å; V315-I354 HydrophobicContact CG1-CB 4.38Å; V315-I354 HydrophobicContact CG1-CG2 3.76Å
316A91.1Very high94.4Very high54 Ų5457.5 Ų57.545%0.44632%0.322SS..G310 helixtrans-66.8-25.6179.100000113.1Y311 T313 E314Y311-A316 HydrophobicContact CE1-CB 4.24Å; Y311-A316 WeakPolarHBondContact OH-CA 3.34Å; Y311-A316 PolarHBondContact OH-N 2.9Å; T313-A316 WeakPolarHBondContact O-CB 3.49Å; T313-A316 PolarHBondContact O-N 2.06Å; E314-A316 PolarHBondContact O-N 3.11Å
317Y88.8Confident94.1Very high213 Ų21359 Ų5984%0.83533%0.331SS*.THydrogen-bonded Turntrans-108-25.1-175.5-57.2-78.5000113.1E314 V315E314-Y317 PolarHBondContact O-N 2.82Å; V315-Y317 PolarHBondContact O-N 3.32Å
318S92.1Very high93.8Very high79 Ų7969 Ų6955%0.55237%0.369SS*.SBendtrans-161.5-175.7-178.4-169.60000110.5E314 V315E314-S318 PolarHBondContact O-N 3.49Å; V315-S318 CarbonylContact C-O 3.57Å; V315-S318 WeakPolarHBondContact CA-O 3.4Å
319T94.3Very high93.5Very high65 Ų6574.2 Ų74.240%0.39939%0.387SS..  trans-72.3141.9167.459.70000110.7W333 K334 M357T319-W333 CarbonylContact C-O 3.16Å; T319-W333 VanDerWaalsContact CA-O 3.24Å; T319-W333 WeakPolarHBondContact CA-O 3.34Å; T319-K334 HydrophobicContact CG2-CB 4.24Å; T319-M357 HydrophobicContact CG2-CE 4.45Å; T319-M357 HydrophobicContact CG2-SD 3.48Å; T319-M357 WeakPolarHBondContact CG2-SD 3.34Å
320A95Very high93.3Very high15 Ų1577.2 Ų77.212%0.12440%0.4CS..EExtended strand (participates in β ladder)trans-128.2141.8175.500000111.6E314 V315 W333E314-A320 HydrophobicContact CB-CB 3.91Å; V315-A320 HydrophobicContact CG2-CB 3.53Å; A320-W333 PolarHBondContact N-O 3.17Å; A320-W333 PolarHBondContact O-N 2.85Å
321D95.5Very high93.2Very high100 Ų10075.1 Ų75.154%0.53538%0.381SS..EExtended strand (participates in β ladder)trans-89.8122.4172.9-62.2-44.8000108.7F331 R332D321-F331 CarbonylContact C-O 3.58Å; D321-F331 WeakPolarHBondContact CA-O 3.22Å; D321-R332 WeakPolarHBondContact OD1-CA 3.08Å; D321-R332 VanDerWaalsContact OD1-CB 3.26Å; D321-R332 WeakPolarHBondContact OD1-CB 3.37Å; D321-R332 WeakPolarHBondContact OD1-CG 3.23Å; D321-R332 IonicContact OD1-CZ 3.15Å; D321-R332 IonicContact OD1-NE 3.26Å; D321-R332 PolarHBondContact OD1-NE 3.42Å; D321-R332 IonicContact OD1-NH2 3.29Å; D321-R332 IonicContact OD2-NH2 2.77Å
322V95.8Very high93Very high29 Ų2980.2 Ų80.218%0.17640%0.4CS..EExtended strand (participates in β ladder)trans-119.3128.8-177.1-177.20000109.1P308 P312 F331 W333P308-V322 HydrophobicContact CG-CG1 3.95Å; P312-V322 HydrophobicContact CB-CG2 4.12Å; P312-V322 HydrophobicContact CG-CG2 3.9Å; V322-F331 PolarHBondContact N-O 3.23Å; V322-F331 PolarHBondContact O-N 2.89Å; V322-W333 HydrophobicContact CG2-CG 4.3Å
323H94.9Very high93.1Very high99 Ų9979.5 Ų79.546%0.45840%0.396SS..EExtended strand (participates in β ladder)trans-73.6127.8178.4-168.670.9000111.4P325 D330H323-P325 WeakPolarHBondContact O-CD 3.05Å; H323-D330 VanDerWaalsContact CA-OD1 3.24Å; H323-D330 WeakPolarHBondContact CA-OD1 3.17Å; H323-D330 VanDerWaalsContact CB-OD1 3.24Å; H323-D330 WeakPolarHBondContact CB-OD1 3.41Å; H323-D330 IonicContact CE1-OD1 3.95Å; H323-D330 IonicContact CG-OD1 3.38Å; H323-D330 IonicContact ND1-OD1 2.75Å; H323-D330 PolarHBondContact ND1-OD1 3.38Å
324D94.1Very high93.1Very high3 Ų379 Ų792%0.01639%0.388CS..EExtended strand (participates in β ladder)trans-98.9110.9171.2179.122000110.8P305 S306 L326 T327 R328 R329 F331P305-D324 HydrophobicContact CB-CB 4.45Å; S306-D324 PolarHBondContact N-OD2 3Å; D324-L326 PolarHBondContact O-N 3.11Å; D324-L326 PolarHBondContact OD1-N 3.17Å; D324-T327 WeakPolarHBondContact CB-OG1 3.15Å; D324-T327 PolarHBondContact O-N 3Å; D324-T327 WeakPolarHBondContact OD2-CG2 3.36Å; D324-T327 PolarHBondContact OD2-OG1 3Å; D324-R328 VanDerWaalsContact O-CA 3.31Å; D324-R328 WeakPolarHBondContact O-CA 3.18Å; D324-R328 PolarHBondContact O-N 2.91Å; D324-R329 PolarHBondContact N-O 3.26Å; D324-F331 HydrophobicContact CB-CD2 3.98Å; D324-F331 HydrophobicContact CB-CE2 3.86Å
325P91.4Very high93.2Very high80 Ų8076 Ų7652%0.51938%0.376SS..THydrogen-bonded Turntrans-62-27.1-177.4-22.733.7000114.2H323H323-P325 WeakPolarHBondContact O-CD 3.05Å
326L89.5Confident93.2Very high105 Ų10576 Ų7655%0.5538%0.376SS..THydrogen-bonded Turntrans-75.7-45.5-175.8-76.5166.4000112.1S306 D324 G427S306-L326 WeakPolarHBondContact OG-CD1 3.38Å; D324-L326 PolarHBondContact O-N 3.11Å; D324-L326 PolarHBondContact OD1-N 3.17Å; L326-G427 VanDerWaalsContact CD1-C 3.47Å; L326-G427 VanDerWaalsContact CD1-O 3.31Å; L326-G427 WeakPolarHBondContact CD1-O 3.25Å
327T89.3Confident93.3Very high46 Ų4675.1 Ų75.128%0.28237%0.366SS..THydrogen-bonded Turntrans-89.6-12.7178.258.60000112.8D324 R329 F331D324-T327 WeakPolarHBondContact CB-OG1 3.15Å; D324-T327 PolarHBondContact O-N 3Å; D324-T327 WeakPolarHBondContact OD2-CG2 3.36Å; D324-T327 PolarHBondContact OD2-OG1 3Å; T327-R329 VanDerWaalsContact C-N 3.26Å; T327-R329 PolarHBondContact O-N 2.86Å; T327-F331 VanDerWaalsContact OG1-CE2 3.27Å; T327-F331 WeakPolarHBondContact OG1-CE2 3.43Å
328R91.3Very high93.3Very high210 Ų21066.4 Ų66.479%0.79234%0.341SS*.THydrogen-bonded Turntrans55.237.8-175-51.5-173.7-152167.96.2113D324D324-R328 VanDerWaalsContact O-CA 3.31Å; D324-R328 WeakPolarHBondContact O-CA 3.18Å; D324-R328 PolarHBondContact O-N 2.91Å
329R90.8Very high92.9Very high120 Ų12068.5 Ų68.545%0.45335%0.353SS..EExtended strand (participates in β ladder)trans-129.6153178.6-62.9-175.4-58.9-175.70.5109.9D303 D324 T327 F331D303-R329 PolarHBondContact O-NH2 3.33Å; D324-R329 PolarHBondContact N-O 3.26Å; T327-R329 VanDerWaalsContact C-N 3.26Å; T327-R329 PolarHBondContact O-N 2.86Å; R329-F331 HydrophobicContact CB-CD2 4.36Å; R329-F331 HydrophobicContact CB-CE2 3.72Å; R329-F331 HydrophobicContact CB-CZ 4.22Å; R329-F331 WeakPolarHBondContact O-CD2 3.16Å
330D92.3Very high92.3Very high109 Ų10974.9 Ų74.958%0.58338%0.375SS*.EExtended strand (participates in β ladder)trans-89.6135171-58.5-40.5000109.5H323H323-D330 VanDerWaalsContact CA-OD1 3.24Å; H323-D330 WeakPolarHBondContact CA-OD1 3.17Å; H323-D330 VanDerWaalsContact CB-OD1 3.24Å; H323-D330 WeakPolarHBondContact CB-OD1 3.41Å; H323-D330 IonicContact CE1-OD1 3.95Å; H323-D330 IonicContact CG-OD1 3.38Å; H323-D330 IonicContact ND1-OD1 2.75Å; H323-D330 PolarHBondContact ND1-OD1 3.38Å
331F94.4Very high91.9Very high33 Ų3376 Ų7615%0.14538%0.377CS..EExtended strand (participates in β ladder)trans-121141.1177.4-66.9-101.4000109.8P305 D321 V322 D324 T327 R329P305-F331 HydrophobicContact CB-CB 4.13Å; P305-F331 HydrophobicContact CB-CD1 3.81Å; P305-F331 HydrophobicContact CB-CD2 3.59Å; P305-F331 HydrophobicContact CB-CE1 3.98Å; P305-F331 HydrophobicContact CB-CE2 3.77Å; P305-F331 HydrophobicContact CB-CG 3.58Å; P305-F331 HydrophobicContact CB-CZ 3.92Å; P305-F331 HydrophobicContact CG-CB 4.1Å; P305-F331 HydrophobicContact CG-CD1 3.71Å; P305-F331 HydrophobicContact CG-CD2 4.33Å; P305-F331 HydrophobicContact CG-CE1 4.11Å; P305-F331 HydrophobicContact CG-CG 3.8Å; D321-F331 CarbonylContact C-O 3.58Å; D321-F331 WeakPolarHBondContact CA-O 3.22Å; V322-F331 PolarHBondContact N-O 3.23Å; V322-F331 PolarHBondContact O-N 2.89Å; D324-F331 HydrophobicContact CB-CD2 3.98Å; D324-F331 HydrophobicContact CB-CE2 3.86Å; T327-F331 VanDerWaalsContact OG1-CE2 3.27Å; T327-F331 WeakPolarHBondContact OG1-CE2 3.43Å; R329-F331 HydrophobicContact CB-CD2 4.36Å; R329-F331 HydrophobicContact CB-CE2 3.72Å; R329-F331 HydrophobicContact CB-CZ 4.22Å; R329-F331 WeakPolarHBondContact O-CD2 3.16Å
332R94.6Very high91.4Very high120 Ų12076.7 Ų76.745%0.45338%0.376SS..EExtended strand (participates in β ladder)trans-83.8130.4176.2-167.4168.9-65.9171.70.3110.6D321 S356 M357D321-R332 WeakPolarHBondContact OD1-CA 3.08Å; D321-R332 VanDerWaalsContact OD1-CB 3.26Å; D321-R332 WeakPolarHBondContact OD1-CB 3.37Å; D321-R332 WeakPolarHBondContact OD1-CG 3.23Å; D321-R332 IonicContact OD1-CZ 3.15Å; D321-R332 IonicContact OD1-NE 3.26Å; D321-R332 PolarHBondContact OD1-NE 3.42Å; D321-R332 IonicContact OD1-NH2 3.29Å; D321-R332 IonicContact OD2-NH2 2.77Å; R332-S356 CarbonylContact O-C 3.58Å; R332-S356 WeakPolarHBondContact O-CA 3.27Å; R332-M357 HydrophobicContact CB-CB 4.23Å; R332-M357 HydrophobicContact CB-CG 4.48Å; R332-M357 HydrophobicContact CG-CB 4.43Å; R332-M357 HydrophobicContact CG-CG 4.22Å; R332-M357 HydrophobicContact CG-SD 3.74Å; R332-M357 PolarHBondContact O-N 2.73Å
333W96.7Very high91.1Very high2 Ų276.2 Ų76.21%0.00837%0.372CS..EExtended strand (participates in β ladder)trans-120.1153.3179.1-64.686.1000110.9P305 V315 T319 A320 V322 I354 R355 Q368 C370P305-W333 HydrophobicContact CB-CZ2 3.85Å; P305-W333 HydrophobicContact CG-CH2 3.92Å; P305-W333 HydrophobicContact CG-CZ2 3.43Å; P305-W333 VanDerWaalsContact CG-CZ2 3.43Å; V315-W333 HydrophobicContact CG2-CB 4.08Å; T319-W333 CarbonylContact C-O 3.16Å; T319-W333 VanDerWaalsContact CA-O 3.24Å; T319-W333 WeakPolarHBondContact CA-O 3.34Å; A320-W333 PolarHBondContact N-O 3.17Å; A320-W333 PolarHBondContact O-N 2.85Å; V322-W333 HydrophobicContact CG2-CG 4.3Å; W333-I354 HydrophobicContact CD2-CD1 3.96Å; W333-I354 HydrophobicContact CD2-CG1 4.33Å; W333-I354 HydrophobicContact CE3-CB 4.1Å; W333-I354 HydrophobicContact CE3-CD1 3.56Å; W333-I354 HydrophobicContact CE3-CG1 3.47Å; W333-I354 VanDerWaalsContact CE3-CG1 3.47Å; W333-I354 HydrophobicContact CG-CD1 4.44Å; W333-I354 HydrophobicContact CZ3-CD1 3.96Å; W333-I354 HydrophobicContact CZ3-CG1 3.73Å; W333-R355 WeakPolarHBondContact CA-O 3.11Å; W333-Q368 HydrophobicContact CH2-CB 3.78Å; W333-Q368 HydrophobicContact CH2-CG 3.6Å; W333-Q368 HydrophobicContact CZ3-CB 4.18Å; W333-Q368 HydrophobicContact CZ3-CG 4.18Å; W333-C370 VanDerWaalsContact CH2-SG 3.53Å
334K95.2Very high90.7Very high57 Ų5780 Ų8025%0.24839%0.39CS..EExtended strand (participates in β ladder)trans-138.3158.8172.972.6174.8-159.5-179.70111T319 I354 R355 M357 E394T319-K334 HydrophobicContact CG2-CB 4.24Å; K334-I354 CarbonylContact O-C 3.43Å; K334-I354 VanDerWaalsContact O-CA 3.31Å; K334-I354 WeakPolarHBondContact O-CA 3.22Å; K334-R355 PolarHBondContact N-O 3.29Å; K334-R355 PolarHBondContact O-N 3.36Å; K334-M357 HydrophobicContact CB-CG 4.33Å; K334-M357 HydrophobicContact CB-SD 4.32Å; K334-M357 HydrophobicContact CD-CE 4.49Å; K334-M357 HydrophobicContact CD-CG 4.26Å; K334-M357 HydrophobicContact CD-SD 4.45Å; K334-M357 HydrophobicContact CG-CG 4.23Å; K334-E394 WeakPolarHBondContact CD-OE1 3.03Å; K334-E394 WeakPolarHBondContact CE-OE1 3.47Å; K334-E394 IonicContact NZ-OE1 2.67Å; K334-E394 PolarHBondContact NZ-OE1 2.78Å
335D95Very high90.4Very high55 Ų5584.2 Ų84.229%0.29441%0.412SS..EExtended strand (participates in β ladder)trans-69.2137.2177.9-172.575.1000111Y311 V315 S337Y311-D335 PolarHBondContact OH-OD1 3.47Å; V315-D335 HydrophobicContact CG1-CB 4.05Å; V315-D335 WeakPolarHBondContact O-CB 2.98Å; D335-S337 WeakPolarHBondContact OD1-CB 3.47Å; D335-S337 PolarHBondContact OD1-OG 3.48Å; D335-S337 WeakPolarHBondContact OD2-CA 3.21Å; D335-S337 WeakPolarHBondContact OD2-CB 3.47Å; D335-S337 PolarHBondContact OD2-N 3.1Å; D335-S337 PolarHBondContact OD2-OG 2.99Å
336A95Very high90.2Very high3 Ų381.9 Ų81.93%0.02539%0.393CS..  trans-128.833176.500000110E341 C353 R355A336-E341 HydrophobicContact CB-CG 4.3Å; A336-E341 WeakPolarHBondContact O-CG 3.38Å; A336-C353 CarbonylContact C-O 3.58Å; A336-C353 WeakPolarHBondContact CA-O 3.49Å; A336-C353 HydrophobicContact CB-CB 4.32Å; A336-C353 PolarHBondContact N-O 2.84Å; A336-R355 HydrophobicContact CB-CB 4.05Å
337S93.9Very high90.5Very high34 Ų3477.7 Ų77.724%0.23837%0.37CS..  trans-94.2-2.3179.1-46.60000112.8D335 Y352 C353D335-S337 WeakPolarHBondContact OD1-CB 3.47Å; D335-S337 PolarHBondContact OD1-OG 3.48Å; D335-S337 WeakPolarHBondContact OD2-CA 3.21Å; D335-S337 WeakPolarHBondContact OD2-CB 3.47Å; D335-S337 PolarHBondContact OD2-N 3.1Å; D335-S337 PolarHBondContact OD2-OG 2.99Å; S337-Y352 VanDerWaalsContact OG-CA 3.28Å; S337-Y352 WeakPolarHBondContact OG-CA 3.08Å; S337-C353 PolarHBondContact N-O 3.35Å; S337-C353 PolarHBondContact OG-N 2.93Å; S337-C353 PolarHBondContact OG-O 3.3Å
338G87.8Confident90.5Very high30 Ų3078.6 Ų78.631%0.30938%0.377SS..SBendtrans-71.9163.5-175.400000114.7K340 E341G338-K340 PolarHBondContact O-N 2.97Å; G338-E341 PolarHBondContact O-N 3.16Å; G338-E341 VanDerWaalsContact O-N 3.08Å
339P83.4Confident90.6Very high124 Ų12471.1 Ų71.181%0.80536%0.355SS*.G310 helixtrans-63-18.9-175.325.5-35.4000114.2E341 K342P339-E341 PolarHBondContact O-N 3.37Å; P339-K342 PolarHBondContact O-N 2.92Å
340K82.5Confident90.9Very high198 Ų19866 Ų6686%0.86134%0.338SS*.G310 helixtrans-62.8-29.5176.2-66.2-176.1178.9-179.40112.7G338 K342G338-K340 PolarHBondContact O-N 2.97Å; K340-K342 VanDerWaalsContact C-N 3.32Å
341E85.6Confident91Very high38 Ų3867.9 Ų67.918%0.17834%0.337CS..G310 helixtrans-83.7-10.6-177.6-59.7-68.5158.200112.1A336 G338 P339 L343A336-E341 HydrophobicContact CB-CG 4.3Å; A336-E341 WeakPolarHBondContact O-CG 3.38Å; G338-E341 PolarHBondContact O-N 3.16Å; G338-E341 VanDerWaalsContact O-N 3.08Å; P339-E341 PolarHBondContact O-N 3.37Å; E341-L343 VanDerWaalsContact C-N 3.28Å; E341-L343 HydrophobicContact CB-CD2 3.84Å; E341-L343 HydrophobicContact CB-CG 4.24Å; E341-L343 PolarHBondContact O-N 3.48Å
342K86.8Confident91.2Very high115 Ų11569.4 Ų69.450%0.534%0.342SS..  trans47.848.1178-58.7-177.9-179.7-178.80112.7P339 K340 E344 I345 Y346P339-K342 PolarHBondContact O-N 2.92Å; K340-K342 VanDerWaalsContact C-N 3.32Å; K342-E344 PolarHBondContact O-N 2.9Å; K342-I345 HydrophobicContact CB-CD1 4.35Å; K342-I345 HydrophobicContact CD-CD1 4.3Å; K342-I345 PolarHBondContact O-N 2.83Å; K342-Y346 HydrophobicContact CB-CD2 3.94Å; K342-Y346 HydrophobicContact CB-CE2 3.89Å; K342-Y346 HydrophobicContact CD-CE2 4.16Å; K342-Y346 PolarHBondContact O-N 3.2Å; K342-Y346 VanDerWaalsContact O-N 3.15Å
343L88.7Confident91.3Very high19 Ų1963.7 Ų63.710%0.09932%0.321CS..Hα-helixtrans-55.8-35.9-175.4-60.7-173.3000112.6E341 I345 Y346 K347 P348 C353E341-L343 VanDerWaalsContact C-N 3.28Å; E341-L343 HydrophobicContact CB-CD2 3.84Å; E341-L343 HydrophobicContact CB-CG 4.24Å; E341-L343 PolarHBondContact O-N 3.48Å; L343-I345 PolarHBondContact O-N 3.25Å; L343-Y346 PolarHBondContact O-N 3.4Å; L343-K347 HydrophobicContact CB-CB 4.44Å; L343-K347 HydrophobicContact CD2-CB 4.14Å; L343-K347 HydrophobicContact CD2-CG 4.26Å; L343-K347 CarbonylContact O-C 3.59Å; L343-K347 WeakPolarHBondContact O-CA 3.41Å; L343-K347 PolarHBondContact O-N 3.46Å; L343-K347 VanDerWaalsContact O-O 3.09Å; L343-P348 VanDerWaalsContact O-N 3.14Å; L343-C353 HydrophobicContact CD1-CB 4.42Å; L343-C353 HydrophobicContact CD2-CB 4.48Å
344E86.4Confident91.3Very high180 Ų18063.6 Ų63.684%0.84132%0.32SS*.Hα-helixtrans-57.1-23.5176.2-62.9178.3-176.300114K342K342-E344 PolarHBondContact O-N 2.9Å
345I87.1Confident91.4Very high91 Ų9160.9 Ų60.947%0.46731%0.309SS..Hα-helixtrans-96.5-54178.5-57.2177.7000110K342 L343 W408K342-I345 HydrophobicContact CB-CD1 4.35Å; K342-I345 HydrophobicContact CD-CD1 4.3Å; K342-I345 PolarHBondContact O-N 2.83Å; L343-I345 PolarHBondContact O-N 3.25Å; I345-W408 HydrophobicContact CG2-CH2 4.25Å; I345-W408 HydrophobicContact CG2-CZ3 4.46Å; I345-W408 WeakPolarHBondContact O-CZ2 3.46Å
346Y88.7Confident91.4Very high30 Ų3058.5 Ų58.512%0.11830%0.296CS..Hα-helixtrans-92.4-18-168.1-57.2-55.5000114.2K342 L343 I405 W408 I409K342-Y346 HydrophobicContact CB-CD2 3.94Å; K342-Y346 HydrophobicContact CB-CE2 3.89Å; K342-Y346 HydrophobicContact CD-CE2 4.16Å; K342-Y346 PolarHBondContact O-N 3.2Å; K342-Y346 VanDerWaalsContact O-N 3.15Å; L343-Y346 PolarHBondContact O-N 3.4Å; Y346-I405 HydrophobicContact CD1-CG2 4.39Å; Y346-I405 HydrophobicContact CD2-CD1 4.44Å; Y346-I405 HydrophobicContact CE1-CG2 3.68Å; Y346-I405 HydrophobicContact CE2-CG2 4.01Å; Y346-I405 VanDerWaalsContact CZ-CG2 3.45Å; Y346-I405 WeakPolarHBondContact OH-CG2 3.03Å; Y346-W408 AromaticContact CD1-CD2 3.83Å; Y346-W408 HydrophobicContact CD1-CD2 3.83Å; Y346-W408 AromaticContact CD1-CE3 3.7Å; Y346-W408 HydrophobicContact CD1-CE3 3.7Å; Y346-W408 HydrophobicContact CD1-CG 4.43Å; Y346-W408 HydrophobicContact CD1-CH2 4.33Å; Y346-W408 HydrophobicContact CD1-CZ2 4.4Å; Y346-W408 AromaticContact CD1-CZ3 3.99Å; Y346-W408 HydrophobicContact CD1-CZ3 3.99Å; Y346-W408 HydrophobicContact CE1-CD2 4.36Å; Y346-W408 AromaticContact CE1-CE3 3.79Å; Y346-W408 HydrophobicContact CE1-CE3 3.79Å; Y346-W408 HydrophobicContact CE1-CZ3 4.02Å; Y346-I409 HydrophobicContact CE1-CG1 4.34Å
347K94.3Very high91.2Very high17 Ų1760.7 Ų60.77%0.07431%0.307CS..SBendtrans-147.156.2-176.4-59.4-69.7166.2-103.40111.1L343 T349 A350 A385L343-K347 HydrophobicContact CB-CB 4.44Å; L343-K347 HydrophobicContact CD2-CB 4.14Å; L343-K347 HydrophobicContact CD2-CG 4.26Å; L343-K347 CarbonylContact O-C 3.59Å; L343-K347 WeakPolarHBondContact O-CA 3.41Å; L343-K347 PolarHBondContact O-N 3.46Å; L343-K347 VanDerWaalsContact O-O 3.09Å; K347-T349 PolarHBondContact O-N 3.46Å; K347-A350 HydrophobicContact CB-CB 3.89Å; K347-A350 WeakPolarHBondContact O-CB 3.28Å; K347-A350 PolarHBondContact O-N 3.2Å; K347-A385 WeakPolarHBondContact CD-O 3.35Å; K347-A385 WeakPolarHBondContact CE-O 3.28Å
348P90.5Very high91Very high66 Ų6661.3 Ų61.343%0.42931%0.307SS..THydrogen-bonded Turntrans-64.1-18.5-164.222.9-34.5000115.8L343 K383L343-P348 VanDerWaalsContact O-N 3.14Å; P348-K383 HydrophobicContact CG-CD 4.07Å; P348-K383 HydrophobicContact CG-CG 4.03Å
349T93.3Very high90.6Very high52 Ų5263.3 Ų63.332%0.31931%0.313SS..THydrogen-bonded Turntrans-98.8-0.5175.964.90000113.1K347 I379 K383 G384K347-T349 PolarHBondContact O-N 3.46Å; T349-I379 WeakPolarHBondContact O-CD1 3.35Å; T349-K383 HydrophobicContact CG2-CD 4.19Å; T349-K383 HydrophobicContact CG2-CG 3.72Å; T349-G384 WeakPolarHBondContact OG1-CA 3.27Å; T349-G384 PolarHBondContact OG1-N 3.15Å; T349-G384 VanDerWaalsContact OG1-N 3.13Å
350A96.8Very high90.1Very high13 Ų1365 Ų6511%0.10732%0.315CS..  trans-88.3133.6175.500000110.2K347 C371 I379K347-A350 HydrophobicContact CB-CB 3.89Å; K347-A350 WeakPolarHBondContact O-CB 3.28Å; K347-A350 PolarHBondContact O-N 3.2Å; A350-C371 HydrophobicContact CB-CB 3.7Å; A350-I379 HydrophobicContact CB-CD1 3.91Å
351R95.5Very high89.6Confident148 Ų14863.7 Ų63.756%0.55831%0.312SS*.SBendtrans-96.8-39.6173.7-175.361.9-177.6165.40.9112.1Y372 D374R351-Y372 PolarHBondContact N-O 3.33Å; R351-D374 WeakPolarHBondContact CB-OD1 3.5Å; R351-D374 WeakPolarHBondContact CD-OD1 3.27Å; R351-D374 WeakPolarHBondContact CG-OD1 3.46Å
352Y96.8Very high89.1Confident65 Ų6563.4 Ų63.426%0.25531%0.314SS..EExtended strand (participates in β ladder)trans-127.3142.4-179.6-48.5-79.1000109.2Y311 S337 C371 Y372 M376Y311-Y352 HydrophobicContact CD2-CG 4.44Å; Y311-Y352 HydrophobicContact CE2-CG 4.43Å; S337-Y352 VanDerWaalsContact OG-CA 3.28Å; S337-Y352 WeakPolarHBondContact OG-CA 3.08Å; Y352-C371 CarbonylContact O-C 2.83Å; Y352-C371 WeakPolarHBondContact O-CA 3.15Å; Y352-Y372 PolarHBondContact N-O 2.77Å; Y352-Y372 PolarHBondContact O-N 3.12Å; Y352-M376 HydrophobicContact CD2-CG 4.21Å; Y352-M376 HydrophobicContact CE2-CE 4.37Å; Y352-M376 HydrophobicContact CE2-CG 4.03Å
353C97.5Very high88.7Confident0 Ų061.2 Ų61.20%031%0.31CS..EExtended strand (participates in β ladder)trans-135.1151.1167.9-57.50000109.4A336 S337 L343 C370 C371A336-C353 CarbonylContact C-O 3.58Å; A336-C353 WeakPolarHBondContact CA-O 3.49Å; A336-C353 HydrophobicContact CB-CB 4.32Å; A336-C353 PolarHBondContact N-O 2.84Å; S337-C353 PolarHBondContact N-O 3.35Å; S337-C353 PolarHBondContact OG-N 2.93Å; S337-C353 PolarHBondContact OG-O 3.3Å; L343-C353 HydrophobicContact CD1-CB 4.42Å; L343-C353 HydrophobicContact CD2-CB 4.48Å; C353-C370 CarbonylContact C-O 3.53Å; C353-C370 WeakPolarHBondContact CA-O 3.43Å; C353-C370 WeakPolarHBondContact CB-O 3.15Å; C353-C371 HydrophobicContact CB-CB 4.16Å; C353-C371 WeakPolarHBondContact CB-SG 3.43Å; C353-C371 WeakPolarHBondContact SG-CB 3.44Å; C353-C371 CovalentContact SG-SG 2.06Å; C353-C371 PolarHBondContact SG-SG 3.19Å
354I97.4Very high88.6Confident0 Ų060.9 Ų60.90%031%0.309CS..EExtended strand (participates in β ladder)trans-125.7154.6173.567.3-176.3000109.1P308 Y311 P312 V315 W333 K334 H369 C370 Y372P308-I354 HydrophobicContact CG-CD1 4.43Å; Y311-I354 HydrophobicContact CD2-CG2 3.68Å; Y311-I354 HydrophobicContact CE2-CG2 3.28Å; P312-I354 HydrophobicContact CG-CD1 4.22Å; V315-I354 HydrophobicContact CB-CG2 4.37Å; V315-I354 HydrophobicContact CG1-CB 4.38Å; V315-I354 HydrophobicContact CG1-CG2 3.76Å; W333-I354 HydrophobicContact CD2-CD1 3.96Å; W333-I354 HydrophobicContact CD2-CG1 4.33Å; W333-I354 HydrophobicContact CE3-CB 4.1Å; W333-I354 HydrophobicContact CE3-CD1 3.56Å; W333-I354 HydrophobicContact CE3-CG1 3.47Å; W333-I354 VanDerWaalsContact CE3-CG1 3.47Å; W333-I354 HydrophobicContact CG-CD1 4.44Å; W333-I354 HydrophobicContact CZ3-CD1 3.96Å; W333-I354 HydrophobicContact CZ3-CG1 3.73Å; K334-I354 CarbonylContact O-C 3.43Å; K334-I354 VanDerWaalsContact O-CA 3.31Å; K334-I354 WeakPolarHBondContact O-CA 3.22Å; I354-H369 WeakPolarHBondContact O-CA 3.19Å; I354-C370 HydrophobicContact CD1-CB 4.42Å; I354-C370 HydrophobicContact CG1-CB 3.94Å; I354-C370 PolarHBondContact N-O 3.38Å; I354-C370 PolarHBondContact O-N 3.44Å; I354-Y372 HydrophobicContact CD1-CE2 3.87Å; I354-Y372 WeakPolarHBondContact CD1-OH 3.31Å; I354-Y372 HydrophobicContact CG1-CE2 3.88Å; I354-Y372 HydrophobicContact CG2-CE2 4.35Å
355R96.4Very high88.6Confident1 Ų155 Ų550%0.00428%0.283CS..EExtended strand (participates in β ladder)trans-129.6136.1176.1-169.5169.955.864.6-18.7110.9W333 K334 A336 A367 Q368 S392 T393 E394W333-R355 WeakPolarHBondContact CA-O 3.11Å; K334-R355 PolarHBondContact N-O 3.29Å; K334-R355 PolarHBondContact O-N 3.36Å; A336-R355 HydrophobicContact CB-CB 4.05Å; R355-A367 HydrophobicContact CG-CB 3.76Å; R355-Q368 CarbonylContact C-O 3.34Å; R355-Q368 VanDerWaalsContact CA-O 3.27Å; R355-Q368 WeakPolarHBondContact CA-O 3.48Å; R355-Q368 WeakPolarHBondContact CG-O 3.45Å; R355-S392 PolarHBondContact NH1-OG 3.34Å; R355-S392 VanDerWaalsContact NH1-OG 3.14Å; R355-T393 PolarHBondContact NE-OG1 2.87Å; R355-T393 VanDerWaalsContact NE-OG1 3.14Å; R355-T393 PolarHBondContact NH2-OG1 3.11Å; R355-E394 IonicContact CZ-OE1 3.83Å; R355-E394 VanDerWaalsContact CZ-OE1 3.32Å; R355-E394 IonicContact NH1-OE1 3.84Å; R355-E394 PolarHBondContact NH1-OE1 3.12Å; R355-E394 IonicContact NH2-OE1 3.06Å; R355-E394 PolarHBondContact NH2-OE1 2.93Å
356S95.6Very high88.9Confident5 Ų550.8 Ų50.84%0.03526%0.262CS..EExtended strand (participates in β ladder)trans-68142.8171.573.90000109.5R332 A367 Q368R332-S356 CarbonylContact O-C 3.58Å; R332-S356 WeakPolarHBondContact O-CA 3.27Å; S356-A367 WeakPolarHBondContact O-CB 3.45Å; S356-Q368 PolarHBondContact N-O 3.24Å; S356-Q368 PolarHBondContact OG-N 2.88Å
357M91.6Very high89.2Confident49 Ų4949.3 Ų49.324%0.24126%0.256CS..PPolyproline II helixtrans-88151177-62.2-166.972.400110.6T319 R332 K334T319-M357 HydrophobicContact CG2-CE 4.45Å; T319-M357 HydrophobicContact CG2-SD 3.48Å; T319-M357 WeakPolarHBondContact CG2-SD 3.34Å; R332-M357 HydrophobicContact CB-CB 4.23Å; R332-M357 HydrophobicContact CB-CG 4.48Å; R332-M357 HydrophobicContact CG-CB 4.43Å; R332-M357 HydrophobicContact CG-CG 4.22Å; R332-M357 HydrophobicContact CG-SD 3.74Å; R332-M357 PolarHBondContact O-N 2.73Å; K334-M357 HydrophobicContact CB-CG 4.33Å; K334-M357 HydrophobicContact CB-SD 4.32Å; K334-M357 HydrophobicContact CD-CE 4.49Å; K334-M357 HydrophobicContact CD-CG 4.26Å; K334-M357 HydrophobicContact CD-SD 4.45Å; K334-M357 HydrophobicContact CG-CG 4.23Å
358L88.3Confident89.3Confident46 Ų4648.7 Ų48.724%0.24125%0.253CS..PPolyproline II helixtrans-77.1137.2170.8-69.1169.5000109.4T364 A366 F395L358-T364 WeakPolarHBondContact CD2-O 3.44Å; L358-A366 WeakPolarHBondContact CD2-O 3.44Å; L358-F395 HydrophobicContact CD1-CB 4.03Å
359T79.8Confident89.6Confident72 Ų7246 Ų4644%0.44224%0.235SC..  trans-112164.4172.565.40000110E361 S362T359-E361 PolarHBondContact O-N 3.13Å; T359-S362 PolarHBondContact N-OG 2.7Å; T359-S362 WeakPolarHBondContact O-CB 3.47Å; T359-S362 PolarHBondContact O-N 2.66Å; T359-S362 PolarHBondContact O-OG 3.01Å; T359-S362 PolarHBondContact OG1-N 2.77Å; T359-S362 PolarHBondContact OG1-OG 3.32Å
360L72.8Confident89.8Confident160 Ų16043.5 Ų43.584%0.83822%0.22SC*.THydrogen-bonded Turntrans-60.2-25.3173.6-75.2156.1000112.8S362L360-S362 VanDerWaalsContact C-N 3.32Å
361E72.4Confident89.9Confident171 Ų17142.9 Ų42.980%0.79922%0.215SC*.THydrogen-bonded Turntrans-84.6-7.4177.6-60.9177179.600112.7T359 T363T359-E361 PolarHBondContact O-N 3.13Å; E361-T363 PolarHBondContact O-N 2.93Å
362S75.3Confident90Very high32 Ų3235.9 Ų35.922%0.22419%0.188CC..  trans-65.9122.2-179.7-63.30000110.1T359 L360 T364T359-S362 PolarHBondContact N-OG 2.7Å; T359-S362 WeakPolarHBondContact O-CB 3.47Å; T359-S362 PolarHBondContact O-N 2.66Å; T359-S362 PolarHBondContact O-OG 3.01Å; T359-S362 PolarHBondContact OG1-N 2.77Å; T359-S362 PolarHBondContact OG1-OG 3.32Å; L360-S362 VanDerWaalsContact C-N 3.32Å; S362-T364 VanDerWaalsContact C-N 3.3Å
363T78.1Confident90Very high68 Ų6834.3 Ų34.342%0.41718%0.184SC..SBendtrans-87.3-2.4-178.836.70000113.2K299 D303 E361K299-T363 WeakPolarHBondContact CE-O 3.29Å; K299-T363 PolarHBondContact NZ-O 3.31Å; D303-T363 PolarHBondContact OD1-OG1 2.82Å; D303-T363 WeakPolarHBondContact OD2-CB 3.18Å; D303-T363 PolarHBondContact OD2-OG1 2.78Å; E361-T363 PolarHBondContact O-N 2.93Å
364T85.8Confident89.9Confident12 Ų1240.4 Ų40.47%0.07422%0.217CC..SBendtrans-136.9161.6174.664.60000110.4Y296 K299 V300 D303 L358 S362Y296-T364 HydrophobicContact CE2-CG2 4.12Å; K299-T364 HydrophobicContact CB-CG2 4.36Å; K299-T364 HydrophobicContact CD-CG2 3.85Å; K299-T364 HydrophobicContact CG-CG2 3.73Å; V300-T364 HydrophobicContact CG2-CG2 4.03Å; D303-T364 WeakPolarHBondContact OD2-CG2 3.47Å; L358-T364 WeakPolarHBondContact CD2-O 3.44Å; S362-T364 VanDerWaalsContact C-N 3.3Å
365L88Confident89.9Confident56 Ų5642.9 Ų42.929%0.29324%0.242SC..SBendtrans-85.62.2171.8-61.2177.2000112.7L390 I391 S392 F395L365-L390 CarbonylContact C-O 3.51Å; L365-I391 HydrophobicContact CB-CD1 4.07Å; L365-I391 HydrophobicContact CD1-CD1 4.16Å; L365-S392 PolarHBondContact O-N 3.39Å; L365-F395 HydrophobicContact CD1-CD1 3.97Å; L365-F395 HydrophobicContact CD1-CE1 3.64Å; L365-F395 HydrophobicContact CD1-CE2 4.34Å; L365-F395 HydrophobicContact CD1-CG 4.45Å; L365-F395 HydrophobicContact CD1-CZ 3.84Å; L365-F395 HydrophobicContact CD2-CD1 4.4Å; L365-F395 HydrophobicContact CD2-CD2 3.76Å; L365-F395 HydrophobicContact CD2-CE1 4.47Å; L365-F395 HydrophobicContact CD2-CE2 3.83Å; L365-F395 HydrophobicContact CD2-CG 4.05Å; L365-F395 HydrophobicContact CD2-CZ 4.2Å
366A92.1Very high89.9Confident3 Ų346.2 Ų46.23%0.02526%0.259CS..  trans-76.2154.3-175.900000111.1V300 L304 L358 N389 L390V300-A366 HydrophobicContact CB-CB 4.32Å; V300-A366 HydrophobicContact CG1-CB 3.74Å; V300-A366 HydrophobicContact CG2-CB 3.64Å; L304-A366 HydrophobicContact CD1-CB 4.22Å; L304-A366 HydrophobicContact CD2-CB 4.26Å; L304-A366 HydrophobicContact CG-CB 4.46Å; L358-A366 WeakPolarHBondContact CD2-O 3.44Å; A366-N389 CarbonylContact C-O 3.46Å; A366-N389 WeakPolarHBondContact CA-O 3.48Å; A366-N389 VanDerWaalsContact CB-O 3.23Å; A366-N389 WeakPolarHBondContact CB-O 3.36Å; A366-L390 VanDerWaalsContact CA-O 3.24Å; A366-L390 WeakPolarHBondContact CA-O 3.4Å; A366-L390 PolarHBondContact N-O 3.49Å
367A94.9Very high90.1Very high0 Ų052.5 Ų52.50%029%0.285CS..BIsolated β-bridgetrans-134.2137173.300000109.5R355 S356 N389R355-A367 HydrophobicContact CG-CB 3.76Å; S356-A367 WeakPolarHBondContact O-CB 3.45Å; A367-N389 PolarHBondContact N-O 3.3Å; A367-N389 PolarHBondContact O-N 3.12Å
368Q96.6Very high90.4Very high3 Ų350.4 Ų50.41%0.01428%0.275CS..  trans-72133.6171.3-173.758.857.700108.6L304 P305 W333 R355 S356 N425L304-Q368 HydrophobicContact CB-CB 4.32Å; L304-Q368 HydrophobicContact CD1-CB 4.26Å; L304-Q368 HydrophobicContact CD2-CB 4.46Å; P305-Q368 HydrophobicContact CG-CB 4.02Å; P305-Q368 WeakPolarHBondContact O-CG 3.23Å; W333-Q368 HydrophobicContact CH2-CB 3.78Å; W333-Q368 HydrophobicContact CH2-CG 3.6Å; W333-Q368 HydrophobicContact CZ3-CB 4.18Å; W333-Q368 HydrophobicContact CZ3-CG 4.18Å; R355-Q368 CarbonylContact C-O 3.34Å; R355-Q368 VanDerWaalsContact CA-O 3.27Å; R355-Q368 WeakPolarHBondContact CA-O 3.48Å; R355-Q368 WeakPolarHBondContact CG-O 3.45Å; S356-Q368 PolarHBondContact N-O 3.24Å; S356-Q368 PolarHBondContact OG-N 2.88Å; Q368-N425 VanDerWaalsContact NE2-CB 3.32Å; Q368-N425 PolarHBondContact OE1-ND2 3.21Å
369H96.9Very high90.8Very high9 Ų948.4 Ų48.44%0.04227%0.265CS..EExtended strand (participates in β ladder)trans-123.4126174.5-175.798.7000108.4I354 C371 G386 T387 N389I354-H369 WeakPolarHBondContact O-CA 3.19Å; H369-C371 PolarHBondContact NE2-SG 2.97Å; H369-G386 CarbonylContact O-C 3.56Å; H369-T387 WeakPolarHBondContact CB-O 3.14Å; H369-N389 WeakPolarHBondContact CB-OD1 3.37Å
370C97.8Very high91.7Very high1 Ų145.7 Ų45.71%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-126.1135.2-175.7-53.40000108C307 W333 C353 I354 Y372 L378C307-C370 WeakPolarHBondContact CA-SG 3.48Å; C307-C370 HydrophobicContact CB-CB 3.82Å; C307-C370 WeakPolarHBondContact CB-SG 3.47Å; C307-C370 WeakPolarHBondContact SG-CB 3.39Å; C307-C370 CovalentContact SG-SG 2.03Å; C307-C370 PolarHBondContact SG-SG 2.85Å; W333-C370 VanDerWaalsContact CH2-SG 3.53Å; C353-C370 CarbonylContact C-O 3.53Å; C353-C370 WeakPolarHBondContact CA-O 3.43Å; C353-C370 WeakPolarHBondContact CB-O 3.15Å; I354-C370 HydrophobicContact CD1-CB 4.42Å; I354-C370 HydrophobicContact CG1-CB 3.94Å; I354-C370 PolarHBondContact N-O 3.38Å; I354-C370 PolarHBondContact O-N 3.44Å; C370-Y372 HydrophobicContact CB-CE2 4.02Å; C370-L378 HydrophobicContact CB-CD1 4.03Å
371C98.1Very high92.7Very high0 Ų040.1 Ų40.10%022%0.216CC..EExtended strand (participates in β ladder)trans-122.4148.2-178.9-72.10000110.8A350 Y352 C353 H369 I379 G384A350-C371 HydrophobicContact CB-CB 3.7Å; Y352-C371 CarbonylContact O-C 2.83Å; Y352-C371 WeakPolarHBondContact O-CA 3.15Å; C353-C371 HydrophobicContact CB-CB 4.16Å; C353-C371 WeakPolarHBondContact CB-SG 3.43Å; C353-C371 WeakPolarHBondContact SG-CB 3.44Å; C353-C371 CovalentContact SG-SG 2.06Å; C353-C371 PolarHBondContact SG-SG 3.19Å; H369-C371 PolarHBondContact NE2-SG 2.97Å; C371-I379 PolarHBondContact O-N 2.96Å; C371-G384 WeakPolarHBondContact CB-O 3.01Å
372Y98.1Very high93.8Very high0 Ų032 Ų320%018%0.178CC..EExtended strand (participates in β ladder)trans-130.7147.9-170.5-56.3-96.5000110P308 S310 Y311 R351 Y352 I354 C370 M376 K377 L378P308-Y372 VanDerWaalsContact O-CE1 3.27Å; P308-Y372 WeakPolarHBondContact O-CE1 3.22Å; P308-Y372 PolarHBondContact O-OH 3.14Å; S310-Y372 VanDerWaalsContact C-CE1 3.42Å; Y311-Y372 AromaticContact CD2-CD2 3.68Å; Y311-Y372 HydrophobicContact CD2-CD2 3.68Å; Y311-Y372 AromaticContact CD2-CE2 3.96Å; Y311-Y372 HydrophobicContact CD2-CE2 3.96Å; Y311-Y372 HydrophobicContact CD2-CG 4.22Å; Y311-Y372 HydrophobicContact CG-CD2 4.41Å; Y311-Y372 VanDerWaalsContact N-CE1 3.3Å; R351-Y372 PolarHBondContact N-O 3.33Å; Y352-Y372 PolarHBondContact N-O 2.77Å; Y352-Y372 PolarHBondContact O-N 3.12Å; I354-Y372 HydrophobicContact CD1-CE2 3.87Å; I354-Y372 WeakPolarHBondContact CD1-OH 3.31Å; I354-Y372 HydrophobicContact CG1-CE2 3.88Å; I354-Y372 HydrophobicContact CG2-CE2 4.35Å; C370-Y372 HydrophobicContact CB-CE2 4.02Å; Y372-M376 WeakPolarHBondContact CD1-O 3.49Å; Y372-K377 CarbonylContact C-O 3.48Å; Y372-K377 WeakPolarHBondContact CA-O 2.96Å; Y372-L378 HydrophobicContact CD1-CB 4.23Å; Y372-L378 HydrophobicContact CE1-CB 3.99Å; Y372-L378 HydrophobicContact CE1-CD1 4.1Å
373D96.9Very high94.7Very high33 Ų3333.1 Ų33.118%0.17618%0.179CC..  trans-75.1-179.2174.464.817.8000112.1G375 M376 K377 I379 N433D373-G375 PolarHBondContact O-N 2.95Å; D373-G375 VanDerWaalsContact O-N 3.17Å; D373-G375 VanDerWaalsContact OD1-CA 3.22Å; D373-G375 WeakPolarHBondContact OD1-CA 3.42Å; D373-G375 PolarHBondContact OD1-N 2.03Å; D373-M376 PolarHBondContact O-N 2.85Å; D373-M376 PolarHBondContact OD1-N 2.86Å; D373-M376 VanDerWaalsContact OD1-N 3.11Å; D373-K377 PolarHBondContact N-O 2.84Å; D373-K377 PolarHBondContact OD1-N 3.03Å; D373-I379 HydrophobicContact CB-CD1 4.32Å; D373-I379 HydrophobicContact CB-CG1 4.16Å; D373-N433 PolarHBondContact OD2-ND2 3.35Å
374D96.1Very high95.5Very high128 Ų12829.9 Ų29.968%0.68416%0.159SC*.THydrogen-bonded Turntrans-58.3-26176-67.4-41.7000113R351 M376R351-D374 WeakPolarHBondContact CB-OD1 3.5Å; R351-D374 WeakPolarHBondContact CD-OD1 3.27Å; R351-D374 WeakPolarHBondContact CG-OD1 3.46Å; D374-M376 VanDerWaalsContact C-N 3.27Å; D374-M376 PolarHBondContact O-N 2.94Å
375G96.8Very high96Very high52 Ų5229.3 Ų29.354%0.53616%0.156SC..THydrogen-bonded Turntrans-85.910.5176.700000114.2D373 K377D373-G375 PolarHBondContact O-N 2.95Å; D373-G375 VanDerWaalsContact O-N 3.17Å; D373-G375 VanDerWaalsContact OD1-CA 3.22Å; D373-G375 WeakPolarHBondContact OD1-CA 3.42Å; D373-G375 PolarHBondContact OD1-N 2.03Å; G375-K377 PolarHBondContact O-N 2.97Å
376M97.3Very high96.4Very high70 Ų7026.7 Ų26.735%0.34514%0.143SC..SBendtrans60.622.6-178.2-65.2-179.3179.200113.9S310 Y311 T313 Y352 Y372 D373 D374S310-M376 WeakPolarHBondContact CA-O 3.44Å; Y311-M376 HydrophobicContact CD1-SD 4.49Å; Y311-M376 PolarHBondContact N-O 3.3Å; T313-M376 HydrophobicContact CG2-CE 4.25Å; T313-M376 HydrophobicContact CG2-SD 3.88Å; Y352-M376 HydrophobicContact CD2-CG 4.21Å; Y352-M376 HydrophobicContact CE2-CE 4.37Å; Y352-M376 HydrophobicContact CE2-CG 4.03Å; Y372-M376 WeakPolarHBondContact CD1-O 3.49Å; D373-M376 PolarHBondContact O-N 2.85Å; D373-M376 PolarHBondContact OD1-N 2.86Å; D373-M376 VanDerWaalsContact OD1-N 3.11Å; D374-M376 VanDerWaalsContact C-N 3.27Å; D374-M376 PolarHBondContact O-N 2.94Å
377K97.9Very high96.5Very high137 Ų13726.9 Ų26.960%0.59614%0.143SC*.BIsolated β-bridgetrans-96.9139.8176.4-64.6179.7-177.1177.70110.6Y372 D373 G375 I379Y372-K377 CarbonylContact C-O 3.48Å; Y372-K377 WeakPolarHBondContact CA-O 2.96Å; D373-K377 PolarHBondContact N-O 2.84Å; D373-K377 PolarHBondContact OD1-N 3.03Å; G375-K377 PolarHBondContact O-N 2.97Å; K377-I379 PolarHBondContact O-N 2.93Å
378L98.3Very high96.5Very high5 Ų527.9 Ų27.93%0.02615%0.15CC..BIsolated β-bridgetrans-56.4129.3179.1-178.766.6000109.9C307 C309 C370 Y372 T380 C430 N433C307-L378 HydrophobicContact CB-CD1 3.69Å; C307-L378 HydrophobicContact CB-CD2 3.63Å; C307-L378 HydrophobicContact CB-CG 4.34Å; C309-L378 PolarHBondContact O-N 3.29Å; C370-L378 HydrophobicContact CB-CD1 4.03Å; Y372-L378 HydrophobicContact CD1-CB 4.23Å; Y372-L378 HydrophobicContact CE1-CB 3.99Å; Y372-L378 HydrophobicContact CE1-CD1 4.1Å; L378-T380 HydrophobicContact CB-CG2 4.42Å; L378-T380 HydrophobicContact CD2-CG2 3.83Å; L378-T380 HydrophobicContact CG-CG2 3.95Å; L378-T380 PolarHBondContact O-N 3.13Å; L378-C430 HydrophobicContact CD2-CB 4.17Å; L378-N433 VanDerWaalsContact O-CB 3.27Å; L378-N433 WeakPolarHBondContact O-CB 3.34Å; L378-N433 PolarHBondContact O-ND2 2.93Å; L378-N433 VanDerWaalsContact O-ND2 3.1Å
379I97.9Very high96.4Very high5 Ų528.1 Ų28.13%0.02615%0.151CC..  trans-84.7101.6170.5-58.7170000106.6T349 A350 C371 D373 K377 R381 A385T349-I379 WeakPolarHBondContact O-CD1 3.35Å; A350-I379 HydrophobicContact CB-CD1 3.91Å; C371-I379 PolarHBondContact O-N 2.96Å; D373-I379 HydrophobicContact CB-CD1 4.32Å; D373-I379 HydrophobicContact CB-CG1 4.16Å; K377-I379 PolarHBondContact O-N 2.93Å; I379-R381 WeakPolarHBondContact CG2-O 3.47Å; I379-A385 HydrophobicContact CG2-CB 3.98Å
380T97.1Very high96.1Very high14 Ų1428 Ų289%0.08615%0.151CC..  trans-84.7-17.4-172.650.10000112.8L378 N426 C430 P431 E432 N433L378-T380 HydrophobicContact CB-CG2 4.42Å; L378-T380 HydrophobicContact CD2-CG2 3.83Å; L378-T380 HydrophobicContact CG-CG2 3.95Å; L378-T380 PolarHBondContact O-N 3.13Å; T380-N426 HydrophobicContact CG2-CB 4.11Å; T380-C430 HydrophobicContact CG2-CB 4.04Å; T380-P431 PolarHBondContact OG1-O 3.06Å; T380-E432 WeakPolarHBondContact OG1-CA 3.39Å; T380-N433 PolarHBondContact N-O 3.31Å; T380-N433 PolarHBondContact OG1-N 3.25Å; T380-N433 PolarHBondContact OG1-O 3.41Å
381R95.6Very high95.6Very high44 Ų4428.9 Ų28.917%0.16616%0.155CC..SBendtrans-154.8172.5178.761.3-174.1-179.5-175.12.7111.4I379 E432 N433 P434 D436 Y439I379-R381 WeakPolarHBondContact CG2-O 3.47Å; R381-E432 IonicContact CZ-OE2 2.81Å; R381-E432 VanDerWaalsContact CZ-OE2 3.26Å; R381-E432 IonicContact NH1-OE1 3.45Å; R381-E432 IonicContact NH1-OE2 2.76Å; R381-E432 PolarHBondContact NH1-OE2 2.85Å; R381-E432 IonicContact NH2-OE2 3.26Å; R381-E432 PolarHBondContact NH2-OE2 3.11Å; R381-N433 PolarHBondContact N-O 3Å; R381-N433 VanDerWaalsContact N-O 3.15Å; R381-P434 PolarHBondContact NE-O 3.43Å; R381-P434 PolarHBondContact NH2-O 2.96Å; R381-P434 WeakPolarHBondContact O-CD 3.39Å; R381-D436 IonicContact CZ-OD1 3.32Å; R381-D436 VanDerWaalsContact CZ-OD1 3.32Å; R381-D436 IonicContact NH1-OD1 3.91Å; R381-D436 PolarHBondContact NH1-OD1 3.3Å; R381-D436 VanDerWaalsContact NH1-OD1 3.15Å; R381-D436 IonicContact NH2-OD1 2.77Å; R381-D436 PolarHBondContact NH2-OD1 3.49Å; R381-Y439 HydrophobicContact CB-CD2 4.09Å; R381-Y439 HydrophobicContact CB-CE2 3.91Å; R381-Y439 HydrophobicContact CG-CD2 3.7Å; R381-Y439 HydrophobicContact CG-CE2 4.04Å; R381-Y439 HydrophobicContact CG-CG 4.42Å
382G94.7Very high95.1Very high1 Ų128.9 Ų28.91%0.0116%0.155CC..SBendtrans88.1-171.8177.800000114.6G384 A385 N419G382-G384 PolarHBondContact O-N 3.38Å; G382-A385 WeakPolarHBondContact O-CB 3.39Å; G382-A385 PolarHBondContact O-N 3.21Å; G382-N419 PolarHBondContact O-ND2 3.39Å
383K93.5Very high94.6Very high54 Ų5430.5 Ų30.524%0.23517%0.165CC..THydrogen-bonded Turntrans-71.5-22.6-169.466.2-170.8174.6-171.10115.3P348 T349 W415 Q442 E445P348-K383 HydrophobicContact CG-CD 4.07Å; P348-K383 HydrophobicContact CG-CG 4.03Å; T349-K383 HydrophobicContact CG2-CD 4.19Å; T349-K383 HydrophobicContact CG2-CG 3.72Å; K383-W415 HydrophobicContact CB-CB 4.46Å; K383-W415 VanDerWaalsContact CB-CD1 3.44Å; K383-W415 HydrophobicContact CB-CD2 4.03Å; K383-W415 HydrophobicContact CB-CG 3.71Å; K383-Q442 HydrophobicContact CD-CG 4.23Å; K383-Q442 HydrophobicContact CG-CG 4.43Å; K383-Q442 VanDerWaalsContact N-OE1 3.15Å; K383-E445 IonicContact NZ-OE2 3.01Å; K383-E445 PolarHBondContact NZ-OE2 3.46Å
384G95.2Very high93.9Very high0 Ų032.4 Ų32.40%017%0.173CC..THydrogen-bonded Turntrans-94.80.7174.600000114.8T349 C371 G382 G386T349-G384 WeakPolarHBondContact OG1-CA 3.27Å; T349-G384 PolarHBondContact OG1-N 3.15Å; T349-G384 VanDerWaalsContact OG1-N 3.13Å; C371-G384 WeakPolarHBondContact CB-O 3.01Å; G382-G384 PolarHBondContact O-N 3.38Å; G384-G386 PolarHBondContact O-N 2.03Å
385A96.8Very high93.4Very high0 Ų031.6 Ų31.60%016%0.163CC..  trans-67.8133.5-177.700000111.2K347 I379 G382 P424K347-A385 WeakPolarHBondContact CD-O 3.35Å; K347-A385 WeakPolarHBondContact CE-O 3.28Å; I379-A385 HydrophobicContact CG2-CB 3.98Å; G382-A385 WeakPolarHBondContact O-CB 3.39Å; G382-A385 PolarHBondContact O-N 3.21Å; A385-P424 HydrophobicContact CB-CB 3.81Å; A385-P424 HydrophobicContact CB-CG 3.48Å; A385-P424 VanDerWaalsContact CB-CG 3.48Å
386G95.8Very high92.7Very high2 Ų230.4 Ų30.42%0.02115%0.147CC..  trans-73.4135.5176.100000111.3H369 G384 P424H369-G386 CarbonylContact O-C 3.56Å; G384-G386 PolarHBondContact O-N 2.03Å; G386-P424 WeakPolarHBondContact O-CA 3.06Å; G386-P424 WeakPolarHBondContact O-CB 3.23Å
387T95.1Very high92Very high7 Ų729.9 Ų29.94%0.04315%0.154CC..  trans-117.3143.5178.553.30000109.6H369 N389 Y418 R422 P424H369-T387 WeakPolarHBondContact CB-O 3.14Å; T387-N389 PolarHBondContact O-N 3.43Å; T387-N389 PolarHBondContact O-OD1 2.83Å; T387-Y418 HydrophobicContact CG2-CD1 4.49Å; T387-Y418 HydrophobicContact CG2-CE1 3.93Å; T387-R422 HydrophobicContact CG2-CB 4.37Å; T387-R422 WeakPolarHBondContact CG2-O 3.24Å; T387-P424 HydrophobicContact CG2-CG 4.26Å
388P94.6Very high91.2Very high21 Ų2129.3 Ų29.314%0.13616%0.158CC..  trans-60.7135.2-179.725.7-33.6000111.4L304 P423L304-P388 HydrophobicContact CD1-CB 3.71Å; P388-P423 WeakPolarHBondContact CD-O 3.26Å
389N93.8Very high90.4Very high8 Ų832.6 Ų32.64%0.04318%0.175CC..BIsolated β-bridgetrans-84.3125.7174.1-58.747.5000107.9A366 A367 H369 T387 I391 H400A366-N389 CarbonylContact C-O 3.46Å; A366-N389 WeakPolarHBondContact CA-O 3.48Å; A366-N389 VanDerWaalsContact CB-O 3.23Å; A366-N389 WeakPolarHBondContact CB-O 3.36Å; A367-N389 PolarHBondContact N-O 3.3Å; A367-N389 PolarHBondContact O-N 3.12Å; H369-N389 WeakPolarHBondContact CB-OD1 3.37Å; T387-N389 PolarHBondContact O-N 3.43Å; T387-N389 PolarHBondContact O-OD1 2.83Å; N389-I391 PolarHBondContact O-N 3.12Å; N389-H400 PolarHBondContact ND2-CE1 2.97Å; N389-H400 PolarHBondContact ND2-ND1 3.17Å; N389-H400 VanDerWaalsContact ND2-ND1 3.11Å
390L90.8Very high89.8Confident5 Ų533.1 Ų33.13%0.02618%0.177CC..SBendtrans-69.8-27.6172.1-69.4-156.6000112.4L293 Y296 M297 V300 L365 A366 V403 D404L293-L390 HydrophobicContact CD1-CD1 4.33Å; Y296-L390 HydrophobicContact CD1-CD1 4.05Å; Y296-L390 HydrophobicContact CD1-CD2 4.35Å; Y296-L390 HydrophobicContact CE1-CB 4.11Å; Y296-L390 HydrophobicContact CE1-CD1 3.92Å; Y296-L390 HydrophobicContact CE1-CD2 3.94Å; Y296-L390 HydrophobicContact CE1-CG 4.22Å; Y296-L390 PolarHBondContact OH-O 2.85Å; M297-L390 HydrophobicContact CE-CD1 3.76Å; M297-L390 HydrophobicContact SD-CD1 3.98Å; M297-L390 HydrophobicContact SD-CD2 3.77Å; M297-L390 HydrophobicContact SD-CG 4.43Å; V300-L390 HydrophobicContact CG1-CD2 4.16Å; V300-L390 HydrophobicContact CG2-CD2 4.18Å; L365-L390 CarbonylContact C-O 3.51Å; A366-L390 VanDerWaalsContact CA-O 3.24Å; A366-L390 WeakPolarHBondContact CA-O 3.4Å; A366-L390 PolarHBondContact N-O 3.49Å; L390-V403 HydrophobicContact CB-CG1 3.81Å; L390-V403 HydrophobicContact CD1-CG1 4Å; L390-V403 HydrophobicContact CG-CG1 4.31Å; L390-D404 WeakPolarHBondContact CB-OD1 3.45Å; L390-D404 PolarHBondContact N-OD1 3.43Å; L390-D404 PolarHBondContact N-OD2 3.16Å
391I87.6Confident89.2Confident21 Ų2137.9 Ų37.911%0.10819%0.194CC..SBendtrans-126.2117.7175-52.4-68000108.3L365 N389 T393 F395 L399 H400 V403 D404L365-I391 HydrophobicContact CB-CD1 4.07Å; L365-I391 HydrophobicContact CD1-CD1 4.16Å; N389-I391 PolarHBondContact O-N 3.12Å; I391-T393 PolarHBondContact O-N 3.44Å; I391-F395 HydrophobicContact CG2-CD1 3.91Å; I391-L399 HydrophobicContact CB-CB 4.42Å; I391-L399 HydrophobicContact CG1-CB 4.37Å; I391-L399 HydrophobicContact CG2-CB 3.86Å; I391-H400 WeakPolarHBondContact O-CB 3.33Å; I391-H400 PolarHBondContact O-ND1 2.79Å; I391-V403 HydrophobicContact CG1-CB 4.26Å; I391-V403 HydrophobicContact CG1-CG1 4.43Å; I391-V403 HydrophobicContact CG1-CG2 4.23Å; I391-D404 PolarHBondContact N-OD2 3.2Å
392S87.5Confident88.6Confident0 Ų041.9 Ų41.90%021%0.213CC..  trans-61.2137.3175.3-177.10000111R355 L365 E394 F395 S396R355-S392 PolarHBondContact NH1-OG 3.34Å; R355-S392 VanDerWaalsContact NH1-OG 3.14Å; L365-S392 PolarHBondContact O-N 3.39Å; S392-E394 PolarHBondContact O-N 3.25Å; S392-E394 VanDerWaalsContact O-N 3.13Å; S392-E394 PolarHBondContact OG-N 2.96Å; S392-F395 WeakPolarHBondContact O-CB 3.33Å; S392-F395 PolarHBondContact O-N 3.27Å; S392-S396 PolarHBondContact O-N 3.32Å; S392-S396 VanDerWaalsContact O-N 3.17Å
393T86.5Confident88.2Confident33 Ų3344.2 Ų44.220%0.20223%0.227CC..THydrogen-bonded Turntrans-62.7-17.6173.152.50000113.3R355 I391 H400R355-T393 PolarHBondContact NE-OG1 2.87Å; R355-T393 VanDerWaalsContact NE-OG1 3.14Å; R355-T393 PolarHBondContact NH2-OG1 3.11Å; I391-T393 PolarHBondContact O-N 3.44Å; T393-H400 HydrophobicContact CG2-CB 3.91Å; T393-H400 WeakPolarHBondContact CG2-CD2 3.2Å
394E83.5Confident88Confident74 Ų7441.8 Ų41.835%0.34622%0.217SC..THydrogen-bonded Turntrans-71.9-31.4170.2-87.3156.3-131.900113.3K334 R355 S392K334-E394 WeakPolarHBondContact CD-OE1 3.03Å; K334-E394 WeakPolarHBondContact CE-OE1 3.47Å; K334-E394 IonicContact NZ-OE1 2.67Å; K334-E394 PolarHBondContact NZ-OE1 2.78Å; R355-E394 IonicContact CZ-OE1 3.83Å; R355-E394 VanDerWaalsContact CZ-OE1 3.32Å; R355-E394 IonicContact NH1-OE1 3.84Å; R355-E394 PolarHBondContact NH1-OE1 3.12Å; R355-E394 IonicContact NH2-OE1 3.06Å; R355-E394 PolarHBondContact NH2-OE1 2.93Å; S392-E394 PolarHBondContact O-N 3.25Å; S392-E394 VanDerWaalsContact O-N 3.13Å; S392-E394 PolarHBondContact OG-N 2.96Å
395F84.4Confident87.7Confident110 Ų11043 Ų4348%0.48222%0.223SC..THydrogen-bonded Turntrans-80.3-52.7179.1178.7-99.2000110.4L358 L365 I391 S392 L399L358-F395 HydrophobicContact CD1-CB 4.03Å; L365-F395 HydrophobicContact CD1-CD1 3.97Å; L365-F395 HydrophobicContact CD1-CE1 3.64Å; L365-F395 HydrophobicContact CD1-CE2 4.34Å; L365-F395 HydrophobicContact CD1-CG 4.45Å; L365-F395 HydrophobicContact CD1-CZ 3.84Å; L365-F395 HydrophobicContact CD2-CD1 4.4Å; L365-F395 HydrophobicContact CD2-CD2 3.76Å; L365-F395 HydrophobicContact CD2-CE1 4.47Å; L365-F395 HydrophobicContact CD2-CE2 3.83Å; L365-F395 HydrophobicContact CD2-CG 4.05Å; L365-F395 HydrophobicContact CD2-CZ 4.2Å; I391-F395 HydrophobicContact CG2-CD1 3.91Å; S392-F395 WeakPolarHBondContact O-CB 3.33Å; S392-F395 PolarHBondContact O-N 3.27Å; F395-L399 HydrophobicContact CD1-CD1 4.49Å; F395-L399 HydrophobicContact CE1-CD1 4.04Å
396S82.4Confident87.2Confident27 Ų2745.6 Ų45.619%0.18924%0.236CC..  trans-160.2117176.8174.50000110.9S392 D398 L399 H400S392-S396 PolarHBondContact O-N 3.32Å; S392-S396 VanDerWaalsContact O-N 3.17Å; S396-D398 VanDerWaalsContact C-N 3.32Å; S396-L399 PolarHBondContact OG-N 3.29Å; S396-H400 VanDerWaalsContact O-CB 3.28Å; S396-H400 WeakPolarHBondContact O-CB 3.41Å; S396-H400 PolarHBondContact O-N 3.3Å
397A82.7Confident86.8Confident60 Ų6045.8 Ų45.850%0.49624%0.237SC..Hα-helixtrans-65.2-36174.700000112.2Y401A397-Y401 WeakPolarHBondContact O-CB 3.49Å; A397-Y401 PolarHBondContact O-N 3.03Å
398D81.9Confident86.4Confident125 Ų12547.5 Ų47.567%0.66824%0.243SC*.Hα-helixtrans-69.1-42.7-179.9-62.5-46.9000112.2S396 Y401 K402S396-D398 VanDerWaalsContact C-N 3.32Å; D398-Y401 PolarHBondContact O-N 3.31Å; D398-K402 WeakPolarHBondContact O-CG 3.23Å; D398-K402 PolarHBondContact O-N 2.92Å
399L81.9Confident86Confident74 Ų7449.7 Ų49.739%0.38725%0.253SS..Hα-helixtrans-69.2-41.3175.5-71.4174.7000111.2I391 F395 S396 Y401 K402 V403I391-L399 HydrophobicContact CB-CB 4.42Å; I391-L399 HydrophobicContact CG1-CB 4.37Å; I391-L399 HydrophobicContact CG2-CB 3.86Å; F395-L399 HydrophobicContact CD1-CD1 4.49Å; F395-L399 HydrophobicContact CE1-CD1 4.04Å; S396-L399 PolarHBondContact OG-N 3.29Å; L399-Y401 VanDerWaalsContact C-N 3.31Å; L399-Y401 PolarHBondContact O-N 3.03Å; L399-K402 PolarHBondContact O-N 3.3Å; L399-V403 WeakPolarHBondContact O-CB 3.39Å; L399-V403 WeakPolarHBondContact O-CG2 3.06Å; L399-V403 PolarHBondContact O-N 3.13Å
400H85.4Confident85.6Confident16 Ų1652.3 Ų52.37%0.07427%0.266CS..Hα-helixtrans-54.7-48.3171.9169.858.5000111.4N389 I391 T393 S396 K402 V403 D404 I405N389-H400 PolarHBondContact ND2-CE1 2.97Å; N389-H400 PolarHBondContact ND2-ND1 3.17Å; N389-H400 VanDerWaalsContact ND2-ND1 3.11Å; I391-H400 WeakPolarHBondContact O-CB 3.33Å; I391-H400 PolarHBondContact O-ND1 2.79Å; T393-H400 HydrophobicContact CG2-CB 3.91Å; T393-H400 WeakPolarHBondContact CG2-CD2 3.2Å; S396-H400 VanDerWaalsContact O-CB 3.28Å; S396-H400 WeakPolarHBondContact O-CB 3.41Å; S396-H400 PolarHBondContact O-N 3.3Å; H400-K402 VanDerWaalsContact C-N 3.32Å; H400-K402 PolarHBondContact O-N 2.52Å; H400-V403 PolarHBondContact O-N 2.97Å; H400-D404 VanDerWaalsContact CE1-CB 3.44Å; H400-D404 WeakPolarHBondContact CE1-CB 3.48Å; H400-D404 IonicContact CE1-OD2 2.71Å; H400-D404 IonicContact CG-OD2 3.32Å; H400-D404 WeakPolarHBondContact ND1-CB 3.24Å; H400-D404 IonicContact ND1-OD2 3.64Å; H400-D404 PolarHBondContact ND1-OD2 2.79Å; H400-D404 WeakPolarHBondContact O-CA 3.42Å; H400-D404 WeakPolarHBondContact O-CB 3.48Å; H400-D404 PolarHBondContact O-N 3.22Å; H400-I405 WeakPolarHBondContact NE2-CG1 3.38Å; H400-I405 PolarHBondContact O-N 3.31Å
401Y83.8Confident85.3Confident113 Ų11352.3 Ų52.344%0.44327%0.266SS..Iπ-helixtrans-57.5-46.1177-179.3-98.4000111.5A397 D398 L399 I405 L406 I409A397-Y401 WeakPolarHBondContact O-CB 3.49Å; A397-Y401 PolarHBondContact O-N 3.03Å; D398-Y401 PolarHBondContact O-N 3.31Å; L399-Y401 VanDerWaalsContact C-N 3.31Å; L399-Y401 PolarHBondContact O-N 3.03Å; Y401-I405 HydrophobicContact CD2-CB 3.99Å; Y401-I405 HydrophobicContact CD2-CG1 4.46Å; Y401-I405 HydrophobicContact CD2-CG2 3.94Å; Y401-I405 HydrophobicContact CE2-CB 4.45Å; Y401-I405 HydrophobicContact CE2-CG2 3.95Å; Y401-I405 WeakPolarHBondContact O-CB 3.35Å; Y401-I405 PolarHBondContact O-N 3.36Å; Y401-L406 HydrophobicContact CD1-CD2 4.28Å; Y401-L406 HydrophobicContact CD1-CG 4.18Å; Y401-L406 HydrophobicContact CE1-CD2 3.55Å; Y401-L406 HydrophobicContact CE1-CG 3.95Å; Y401-L406 WeakPolarHBondContact O-CG 3.35Å; Y401-L406 PolarHBondContact O-N 3.34Å; Y401-I409 HydrophobicContact CE2-CD1 4.26Å
402K83.5Confident85.1Confident128 Ų12858.3 Ų58.356%0.55729%0.292SS*.Iπ-helixtrans-68.9-37.6-178.4-72.3177.7-178.4179.50114.2D398 L399 H400 L406D398-K402 WeakPolarHBondContact O-CG 3.23Å; D398-K402 PolarHBondContact O-N 2.92Å; L399-K402 PolarHBondContact O-N 3.3Å; H400-K402 VanDerWaalsContact C-N 3.32Å; H400-K402 PolarHBondContact O-N 2.52Å; K402-L406 HydrophobicContact CB-CD1 4.15Å; K402-L406 HydrophobicContact CG-CD1 4.05Å; K402-L406 WeakPolarHBondContact O-CB 3.28Å
403V85.7Confident84.7Confident51 Ų5159.2 Ų59.231%0.30930%0.301SS..Iπ-helixtrans-93.9-36.4-171178.80000112.2L390 I391 L399 H400 P407L390-V403 HydrophobicContact CB-CG1 3.81Å; L390-V403 HydrophobicContact CD1-CG1 4Å; L390-V403 HydrophobicContact CG-CG1 4.31Å; I391-V403 HydrophobicContact CG1-CB 4.26Å; I391-V403 HydrophobicContact CG1-CG1 4.43Å; I391-V403 HydrophobicContact CG1-CG2 4.23Å; L399-V403 WeakPolarHBondContact O-CB 3.39Å; L399-V403 WeakPolarHBondContact O-CG2 3.06Å; L399-V403 PolarHBondContact O-N 3.13Å; H400-V403 PolarHBondContact O-N 2.97Å; V403-P407 WeakPolarHBondContact O-CG 3.45Å
404D90Very high84.8Confident3 Ų358.1 Ų58.12%0.01629%0.294CS..Iπ-helixtrans-106.9-35-171-58-47.6000112.8L390 I391 H400 Y418L390-D404 WeakPolarHBondContact CB-OD1 3.45Å; L390-D404 PolarHBondContact N-OD1 3.43Å; L390-D404 PolarHBondContact N-OD2 3.16Å; I391-D404 PolarHBondContact N-OD2 3.2Å; H400-D404 VanDerWaalsContact CE1-CB 3.44Å; H400-D404 WeakPolarHBondContact CE1-CB 3.48Å; H400-D404 IonicContact CE1-OD2 2.71Å; H400-D404 IonicContact CG-OD2 3.32Å; H400-D404 WeakPolarHBondContact ND1-CB 3.24Å; H400-D404 IonicContact ND1-OD2 3.64Å; H400-D404 PolarHBondContact ND1-OD2 2.79Å; H400-D404 WeakPolarHBondContact O-CA 3.42Å; H400-D404 WeakPolarHBondContact O-CB 3.48Å; H400-D404 PolarHBondContact O-N 3.22Å; D404-Y418 PolarHBondContact O-OH 3.25Å
405I88.6Confident85.1Confident25 Ų2555.3 Ų55.313%0.12828%0.28CS..Iπ-helixtrans-94.9-44.7-176-55.3-60.9000112.8Y346 H400 Y401 P407 W408 I409Y346-I405 HydrophobicContact CD1-CG2 4.39Å; Y346-I405 HydrophobicContact CD2-CD1 4.44Å; Y346-I405 HydrophobicContact CE1-CG2 3.68Å; Y346-I405 HydrophobicContact CE2-CG2 4.01Å; Y346-I405 VanDerWaalsContact CZ-CG2 3.45Å; Y346-I405 WeakPolarHBondContact OH-CG2 3.03Å; H400-I405 WeakPolarHBondContact NE2-CG1 3.38Å; H400-I405 PolarHBondContact O-N 3.31Å; Y401-I405 HydrophobicContact CD2-CB 3.99Å; Y401-I405 HydrophobicContact CD2-CG1 4.46Å; Y401-I405 HydrophobicContact CD2-CG2 3.94Å; Y401-I405 HydrophobicContact CE2-CB 4.45Å; Y401-I405 HydrophobicContact CE2-CG2 3.95Å; Y401-I405 WeakPolarHBondContact O-CB 3.35Å; Y401-I405 PolarHBondContact O-N 3.36Å; I405-P407 VanDerWaalsContact C-CD 3.45Å; I405-P407 VanDerWaalsContact C-N 3.3Å; I405-W408 VanDerWaalsContact O-CB 3.32Å; I405-W408 WeakPolarHBondContact O-CB 3.45Å; I405-W408 PolarHBondContact O-N 3.09Å; I405-I409 HydrophobicContact CG2-CD1 3.99Å; I405-I409 HydrophobicContact CG2-CG1 4.4Å; I405-I409 PolarHBondContact O-N 3.21Å
406L86.3Confident85.5Confident54 Ų5450.4 Ų50.428%0.28326%0.26SS..Hα-helixtrans-53.8-40.8179.8-77.3-176.2000113Y401 K402 W408 I409 I410Y401-L406 HydrophobicContact CD1-CD2 4.28Å; Y401-L406 HydrophobicContact CD1-CG 4.18Å; Y401-L406 HydrophobicContact CE1-CD2 3.55Å; Y401-L406 HydrophobicContact CE1-CG 3.95Å; Y401-L406 WeakPolarHBondContact O-CG 3.35Å; Y401-L406 PolarHBondContact O-N 3.34Å; K402-L406 HydrophobicContact CB-CD1 4.15Å; K402-L406 HydrophobicContact CG-CD1 4.05Å; K402-L406 WeakPolarHBondContact O-CB 3.28Å; L406-W408 VanDerWaalsContact C-N 3.28Å; L406-W408 PolarHBondContact O-N 3.19Å; L406-I409 HydrophobicContact CD2-CD1 4.38Å; L406-I409 CarbonylContact O-C 3.35Å; L406-I409 WeakPolarHBondContact O-CB 3.29Å; L406-I409 PolarHBondContact O-N 3.15Å; L406-I410 WeakPolarHBondContact O-CB 3.33Å; L406-I410 VanDerWaalsContact O-CG1 3.25Å; L406-I410 WeakPolarHBondContact O-CG1 3.44Å; L406-I410 PolarHBondContact O-N 2.82Å
407P87.4Confident85.9Confident7 Ų752 Ų525%0.04526%0.261CS..Hα-helixtrans-63.3-33177.9-23.134.3000114.3W285 V403 I405 I409 I410 C411 Y418W285-P407 HydrophobicContact CD2-CB 3.69Å; W285-P407 HydrophobicContact CE3-CB 4.2Å; W285-P407 HydrophobicContact CG-CB 4.17Å; W285-P407 HydrophobicContact CH2-CB 3.95Å; W285-P407 HydrophobicContact CZ2-CB 3.43Å; W285-P407 VanDerWaalsContact CZ2-CB 3.43Å; W285-P407 HydrophobicContact CZ2-CG 4.08Å; W285-P407 HydrophobicContact CZ3-CB 4.32Å; V403-P407 WeakPolarHBondContact O-CG 3.45Å; I405-P407 VanDerWaalsContact C-CD 3.45Å; I405-P407 VanDerWaalsContact C-N 3.3Å; P407-I409 VanDerWaalsContact C-N 3.31Å; P407-I410 PolarHBondContact O-N 2.98Å; P407-C411 PolarHBondContact O-N 3.34Å; P407-C411 PolarHBondContact O-SG 3.19Å; P407-Y418 HydrophobicContact CB-CD2 4.3Å; P407-Y418 HydrophobicContact CB-CE2 4.08Å
408W86.8Confident86.3Confident43 Ų4349.5 Ų49.516%0.16324%0.239CC..Hα-helixtrans-62.4-42.3172-176.8101.7000110.8I345 Y346 I405 L406 C411 K412 G413 Y418I345-W408 HydrophobicContact CG2-CH2 4.25Å; I345-W408 HydrophobicContact CG2-CZ3 4.46Å; I345-W408 WeakPolarHBondContact O-CZ2 3.46Å; Y346-W408 AromaticContact CD1-CD2 3.83Å; Y346-W408 HydrophobicContact CD1-CD2 3.83Å; Y346-W408 AromaticContact CD1-CE3 3.7Å; Y346-W408 HydrophobicContact CD1-CE3 3.7Å; Y346-W408 HydrophobicContact CD1-CG 4.43Å; Y346-W408 HydrophobicContact CD1-CH2 4.33Å; Y346-W408 HydrophobicContact CD1-CZ2 4.4Å; Y346-W408 AromaticContact CD1-CZ3 3.99Å; Y346-W408 HydrophobicContact CD1-CZ3 3.99Å; Y346-W408 HydrophobicContact CE1-CD2 4.36Å; Y346-W408 AromaticContact CE1-CE3 3.79Å; Y346-W408 HydrophobicContact CE1-CE3 3.79Å; Y346-W408 HydrophobicContact CE1-CZ3 4.02Å; I405-W408 VanDerWaalsContact O-CB 3.32Å; I405-W408 WeakPolarHBondContact O-CB 3.45Å; I405-W408 PolarHBondContact O-N 3.09Å; L406-W408 VanDerWaalsContact C-N 3.28Å; L406-W408 PolarHBondContact O-N 3.19Å; W408-C411 CarbonylContact O-C 3.51Å; W408-C411 PolarHBondContact O-N 2.94Å; W408-K412 PolarHBondContact O-N 2.99Å; W408-G413 VanDerWaalsContact CH2-CA 3.44Å; W408-G413 VanDerWaalsContact CZ2-CA 3.41Å; W408-G413 PolarHBondContact O-N 3.08Å; W408-Y418 HydrophobicContact CB-CD2 3.9Å; W408-Y418 HydrophobicContact CB-CE2 3.92Å; W408-Y418 HydrophobicContact CB-CG 4.44Å
409I85.8Confident86.8Confident66 Ų6644.4 Ų44.434%0.33821%0.212SC..Hα-helixtrans-68.1-40.3178.7-61.8172.2000111.1Y346 Y401 I405 L406 P407 C411 K412Y346-I409 HydrophobicContact CE1-CG1 4.34Å; Y401-I409 HydrophobicContact CE2-CD1 4.26Å; I405-I409 HydrophobicContact CG2-CD1 3.99Å; I405-I409 HydrophobicContact CG2-CG1 4.4Å; I405-I409 PolarHBondContact O-N 3.21Å; L406-I409 HydrophobicContact CD2-CD1 4.38Å; L406-I409 CarbonylContact O-C 3.35Å; L406-I409 WeakPolarHBondContact O-CB 3.29Å; L406-I409 PolarHBondContact O-N 3.15Å; P407-I409 VanDerWaalsContact C-N 3.31Å; I409-C411 PolarHBondContact O-N 3.44Å; I409-K412 WeakPolarHBondContact O-CA 3.38Å; I409-K412 PolarHBondContact O-N 3.06Å
410I84.6Confident87.3Confident64 Ų6447.1 Ų47.133%0.32822%0.223SC..Hα-helixtrans-61.1-35.9176.3-71.3166.4000110.4S281 C282 L406 P407 K412S281-I410 WeakPolarHBondContact O-CG2 3.31Å; C282-I410 HydrophobicContact CB-CG2 4.2Å; L406-I410 WeakPolarHBondContact O-CB 3.33Å; L406-I410 VanDerWaalsContact O-CG1 3.25Å; L406-I410 WeakPolarHBondContact O-CG1 3.44Å; L406-I410 PolarHBondContact O-N 2.82Å; P407-I410 PolarHBondContact O-N 2.98Å; I410-K412 PolarHBondContact O-N 2.81Å
411C84.1Confident87.5Confident4 Ų448.3 Ų48.33%0.02724%0.235CC..THydrogen-bonded Turntrans-77.712.2171.5-620000114C282 P407 W408 I409 G413 D414C282-C411 HydrophobicContact CB-CB 3.85Å; C282-C411 WeakPolarHBondContact CB-SG 3.4Å; C282-C411 VanDerWaalsContact SG-CA 3.51Å; C282-C411 WeakPolarHBondContact SG-CB 3.2Å; C282-C411 CovalentContact SG-SG 2.04Å; C282-C411 PolarHBondContact SG-SG 3.19Å; P407-C411 PolarHBondContact O-N 3.34Å; P407-C411 PolarHBondContact O-SG 3.19Å; W408-C411 CarbonylContact O-C 3.51Å; W408-C411 PolarHBondContact O-N 2.94Å; I409-C411 PolarHBondContact O-N 3.44Å; C411-G413 PolarHBondContact O-N 2.94Å; C411-D414 VanDerWaalsContact O-CB 3.31Å; C411-D414 WeakPolarHBondContact O-CB 3.42Å; C411-D414 PolarHBondContact O-N 3.24Å
412K83.8Confident87.8Confident147 Ų14743.6 Ų43.664%0.63922%0.217SC*.THydrogen-bonded Turntrans54.322.5177.8-56179.6-175.7170.70114.2W408 I409 I410W408-K412 PolarHBondContact O-N 2.99Å; I409-K412 WeakPolarHBondContact O-CA 3.38Å; I409-K412 PolarHBondContact O-N 3.06Å; I410-K412 PolarHBondContact O-N 2.81Å
413G79Confident88.3Confident19 Ų1941.4 Ų41.420%0.19622%0.216CC..THydrogen-bonded Turntrans82.96.8-174.400000115.4W408 C411 W415W408-G413 VanDerWaalsContact CH2-CA 3.44Å; W408-G413 VanDerWaalsContact CZ2-CA 3.41Å; W408-G413 PolarHBondContact O-N 3.08Å; C411-G413 PolarHBondContact O-N 2.94Å; G413-W415 PolarHBondContact O-N 3.45Å
414D88.8Confident88.7Confident10 Ų1040.4 Ų40.45%0.05321%0.21CC..  trans-67.487.1164.8-175.5-7.2000109.3C411 S416 R417 Y418C411-D414 VanDerWaalsContact O-CB 3.31Å; C411-D414 WeakPolarHBondContact O-CB 3.42Å; C411-D414 PolarHBondContact O-N 3.24Å; D414-S416 PolarHBondContact O-N 3.32Å; D414-S416 WeakPolarHBondContact OD1-CA 3.26Å; D414-S416 VanDerWaalsContact OD1-CB 3.24Å; D414-S416 WeakPolarHBondContact OD1-CB 3.46Å; D414-S416 PolarHBondContact OD1-N 3.49Å; D414-S416 PolarHBondContact OD1-OG 3.38Å; D414-R417 PolarHBondContact O-N 3.2Å; D414-R417 PolarHBondContact OD1-N 2.77Å; D414-R417 WeakPolarHBondContact OD2-CD 3.24Å; D414-R417 WeakPolarHBondContact OD2-CG 3.18Å; D414-Y418 PolarHBondContact O-N 2.85Å
415W90.7Very high89Confident15 Ų1542 Ų426%0.05722%0.219CC..Hα-helixtrans-61.3-24.7178.266.5-93.5000111.9K383 G413 Y418 N419 Y439 Q442 F443K383-W415 HydrophobicContact CB-CB 4.46Å; K383-W415 VanDerWaalsContact CB-CD1 3.44Å; K383-W415 HydrophobicContact CB-CD2 4.03Å; K383-W415 HydrophobicContact CB-CG 3.71Å; G413-W415 PolarHBondContact O-N 3.45Å; W415-Y418 PolarHBondContact O-N 3.47Å; W415-N419 VanDerWaalsContact O-CB 3.22Å; W415-N419 WeakPolarHBondContact O-CB 3.44Å; W415-N419 PolarHBondContact O-N 2.98Å; W415-Y439 HydrophobicContact CH2-CD2 4.16Å; W415-Y439 AromaticContact CH2-CE2 3.53Å; W415-Y439 HydrophobicContact CH2-CE2 3.53Å; W415-Y439 AromaticContact CZ3-CE2 3.99Å; W415-Y439 HydrophobicContact CZ3-CE2 3.99Å; W415-Q442 HydrophobicContact CZ2-CB 3.87Å; W415-Q442 WeakPolarHBondContact CZ2-O 3.41Å; W415-Q442 PolarHBondContact NE1-O 2.75Å; W415-F443 HydrophobicContact CH2-CB 4.31Å; W415-F443 HydrophobicContact CH2-CD2 4.2Å; W415-F443 HydrophobicContact CZ2-CB 4.2Å
416S92.3Very high89.3Confident8 Ų843.3 Ų43.36%0.05623%0.226CC..Hα-helixtrans-69.5-41.4-175.982.40000111.1D414 Q420D414-S416 PolarHBondContact O-N 3.32Å; D414-S416 WeakPolarHBondContact OD1-CA 3.26Å; D414-S416 VanDerWaalsContact OD1-CB 3.24Å; D414-S416 WeakPolarHBondContact OD1-CB 3.46Å; D414-S416 PolarHBondContact OD1-N 3.49Å; D414-S416 PolarHBondContact OD1-OG 3.38Å; S416-Q420 WeakPolarHBondContact O-CG 3.46Å; S416-Q420 PolarHBondContact O-N 2.91Å
417R90.9Very high89.5Confident59 Ų5942.1 Ų42.122%0.22323%0.227CC..Hα-helixtrans-72-42.4174.6-73.5178.871.3-166.63112D280 E283 M286 D414 N419 Q420D280-R417 IonicContact OD2-CZ 3.84Å; D280-R417 IonicContact OD2-NH1 2.66Å; D280-R417 PolarHBondContact OD2-NH1 3.08Å; D280-R417 IonicContact OD2-NH2 2.82Å; D280-R417 PolarHBondContact OD2-NH2 3.02Å; E283-R417 VanDerWaalsContact N-NH2 3.1Å; M286-R417 HydrophobicContact CE-CB 4.18Å; M286-R417 WeakPolarHBondContact CE-O 3.31Å; M286-R417 HydrophobicContact SD-CB 3.7Å; M286-R417 HydrophobicContact SD-CG 4.17Å; D414-R417 PolarHBondContact O-N 3.2Å; D414-R417 PolarHBondContact OD1-N 2.77Å; D414-R417 WeakPolarHBondContact OD2-CD 3.24Å; D414-R417 WeakPolarHBondContact OD2-CG 3.18Å; R417-N419 VanDerWaalsContact C-N 3.34Å; R417-N419 PolarHBondContact O-N 3.41Å; R417-Q420 WeakPolarHBondContact O-CB 3.27Å; R417-Q420 PolarHBondContact O-N 3.31Å
418Y90.7Very high89.8Confident8 Ų844.5 Ų44.53%0.03124%0.238CC..Hα-helixtrans-57.2-48174179.5-92.7000111.5W285 T387 D404 P407 W408 D414 W415 Q420 A421 R422W285-Y418 AromaticContact CH2-CD2 3.65Å; W285-Y418 HydrophobicContact CH2-CD2 3.65Å; W285-Y418 HydrophobicContact CH2-CE2 4.09Å; W285-Y418 HydrophobicContact CH2-CG 4.37Å; W285-Y418 HydrophobicContact CZ2-CD2 4.41Å; W285-Y418 HydrophobicContact CZ2-CE2 4.45Å; W285-Y418 HydrophobicContact CZ3-CD2 4.16Å; T387-Y418 HydrophobicContact CG2-CD1 4.49Å; T387-Y418 HydrophobicContact CG2-CE1 3.93Å; D404-Y418 PolarHBondContact O-OH 3.25Å; P407-Y418 HydrophobicContact CB-CD2 4.3Å; P407-Y418 HydrophobicContact CB-CE2 4.08Å; W408-Y418 HydrophobicContact CB-CD2 3.9Å; W408-Y418 HydrophobicContact CB-CE2 3.92Å; W408-Y418 HydrophobicContact CB-CG 4.44Å; D414-Y418 PolarHBondContact O-N 2.85Å; W415-Y418 PolarHBondContact O-N 3.47Å; Y418-Q420 VanDerWaalsContact C-N 3.28Å; Y418-Q420 PolarHBondContact O-N 3.04Å; Y418-A421 PolarHBondContact O-N 3.5Å; Y418-A421 VanDerWaalsContact O-N 3.11Å; Y418-R422 HydrophobicContact CD1-CB 4.07Å; Y418-R422 HydrophobicContact CE1-CB 3.67Å; Y418-R422 HydrophobicContact CE1-CG 4.02Å; Y418-R422 HydrophobicContact CE2-CG 4.06Å; Y418-R422 WeakPolarHBondContact O-CB 3.36Å; Y418-R422 PolarHBondContact O-N 2.98Å
419N93.4Very high90.2Very high19 Ų1951.3 Ų51.310%0.10227%0.268CS..Hα-helixtrans-68.3-23.2-177.8-75.2-0.4000113.5G382 W415 R417 A421 R422 P423G382-N419 PolarHBondContact O-ND2 3.39Å; W415-N419 VanDerWaalsContact O-CB 3.22Å; W415-N419 WeakPolarHBondContact O-CB 3.44Å; W415-N419 PolarHBondContact O-N 2.98Å; R417-N419 VanDerWaalsContact C-N 3.34Å; R417-N419 PolarHBondContact O-N 3.41Å; N419-A421 VanDerWaalsContact C-N 3.33Å; N419-R422 WeakPolarHBondContact CA-O 3.24Å; N419-R422 CarbonylContact O-C 3.54Å; N419-R422 PolarHBondContact O-N 3.35Å; N419-P423 VanDerWaalsContact O-CA 3.23Å; N419-P423 WeakPolarHBondContact O-CA 3.46Å; N419-P423 VanDerWaalsContact O-N 3.11Å
420Q91.3Very high90.7Very high130 Ų13048.5 Ų48.561%0.60726%0.255SS*.Hα-helixtrans-64.6-39.1171.3-74.3169.134.600111.8M286 S416 R417 Y418M286-Q420 HydrophobicContact CE-CB 3.97Å; S416-Q420 WeakPolarHBondContact O-CG 3.46Å; S416-Q420 PolarHBondContact O-N 2.91Å; R417-Q420 WeakPolarHBondContact O-CB 3.27Å; R417-Q420 PolarHBondContact O-N 3.31Å; Y418-Q420 VanDerWaalsContact C-N 3.28Å; Y418-Q420 PolarHBondContact O-N 3.04Å
421A89.5Confident91.3Very high41 Ų4150.8 Ų50.834%0.33927%0.273SS..Hα-helixtrans-84.2-26.5175.100000112.5W285 M286 Y418 N419W285-A421 HydrophobicContact CH2-CB 3.42Å; W285-A421 VanDerWaalsContact CH2-CB 3.42Å; W285-A421 HydrophobicContact CZ2-CB 4.05Å; W285-A421 HydrophobicContact CZ3-CB 3.69Å; M286-A421 HydrophobicContact CG-CB 4.48Å; Y418-A421 PolarHBondContact O-N 3.5Å; Y418-A421 VanDerWaalsContact O-N 3.11Å; N419-A421 VanDerWaalsContact C-N 3.33Å
422R90.4Very high91.9Very high14 Ų1455.7 Ų55.75%0.05330%0.296CS..SBendtrans-128.675.9-177.3-62.6-60.9-170.3-1782.4111W285 M297 T387 Y418 N419W285-R422 HydrophobicContact CH2-CG 4.01Å; W285-R422 HydrophobicContact CZ2-CG 4.11Å; M297-R422 VanDerWaalsContact CE-CZ 3.44Å; M297-R422 PolarHBondContact SD-NH1 2.97Å; T387-R422 HydrophobicContact CG2-CB 4.37Å; T387-R422 WeakPolarHBondContact CG2-O 3.24Å; Y418-R422 HydrophobicContact CD1-CB 4.07Å; Y418-R422 HydrophobicContact CE1-CB 3.67Å; Y418-R422 HydrophobicContact CE1-CG 4.02Å; Y418-R422 HydrophobicContact CE2-CG 4.06Å; Y418-R422 WeakPolarHBondContact O-CB 3.36Å; Y418-R422 PolarHBondContact O-N 2.98Å; N419-R422 WeakPolarHBondContact CA-O 3.24Å; N419-R422 CarbonylContact O-C 3.54Å; N419-R422 PolarHBondContact O-N 3.35Å
423P93.7Very high92.5Very high83 Ų8350 Ų5054%0.53927%0.273SS..  trans-65.3138-175.925.1-33.5000111.5P388 N419P388-P423 WeakPolarHBondContact CD-O 3.26Å; N419-P423 VanDerWaalsContact O-CA 3.23Å; N419-P423 WeakPolarHBondContact O-CA 3.46Å; N419-P423 VanDerWaalsContact O-N 3.11Å
424P95.5Very high93.3Very high30 Ų3049.8 Ų49.820%0.19527%0.268CS..  trans-57.5150.6166.1-24.234.3000111.8A385 G386 T387A385-P424 HydrophobicContact CB-CB 3.81Å; A385-P424 HydrophobicContact CB-CG 3.48Å; A385-P424 VanDerWaalsContact CB-CG 3.48Å; G386-P424 WeakPolarHBondContact O-CA 3.06Å; G386-P424 WeakPolarHBondContact O-CB 3.23Å; T387-P424 HydrophobicContact CG2-CG 4.26Å
425N95Very high93.6Very high35 Ų3555.3 Ų55.319%0.18729%0.293CS..  trans-88.7114.5179.5-177.5-60.3000110.5S306 C307 Q368 G427S306-N425 WeakPolarHBondContact CA-OD1 3.47Å; C307-N425 WeakPolarHBondContact CB-O 3.31Å; C307-N425 PolarHBondContact N-OD1 3.46Å; Q368-N425 VanDerWaalsContact NE2-CB 3.32Å; Q368-N425 PolarHBondContact OE1-ND2 3.21Å; N425-G427 PolarHBondContact OD1-N 3.38Å; N425-G427 VanDerWaalsContact OD1-N 3.13Å
426N94.7Very high93.8Very high53 Ų5358.4 Ų58.428%0.28331%0.311SS..  trans-123.345.1167.8-168.918.5000110.9T380 Q428 K429 C430T380-N426 HydrophobicContact CG2-CB 4.11Å; N426-Q428 VanDerWaalsContact C-N 3.26Å; N426-Q428 PolarHBondContact O-N 3.05Å; N426-K429 PolarHBondContact O-N 3.5Å; N426-K429 VanDerWaalsContact O-N 3.12Å; N426-C430 PolarHBondContact ND2-O 3.06Å; N426-C430 WeakPolarHBondContact OD1-CB 3.42Å; N426-C430 PolarHBondContact OD1-N 3.27Å
427G91.9Very high94Very high30 Ų3066.1 Ų66.131%0.30935%0.346SS..THydrogen-bonded Turntrans-58.4-38-176.500000112.9L326 N425 K429L326-G427 VanDerWaalsContact CD1-C 3.47Å; L326-G427 VanDerWaalsContact CD1-O 3.31Å; L326-G427 WeakPolarHBondContact CD1-O 3.25Å; N425-G427 PolarHBondContact OD1-N 3.38Å; N425-G427 VanDerWaalsContact OD1-N 3.13Å; G427-K429 PolarHBondContact O-N 3.43Å
428Q93.6Very high94.2Very high56 Ų5667.6 Ų67.626%0.26236%0.358SS..THydrogen-bonded Turntrans-75.72.6-179.9-60.2-167.65.400114.5N426 C430N426-Q428 VanDerWaalsContact C-N 3.26Å; N426-Q428 PolarHBondContact O-N 3.05Å; Q428-C430 VanDerWaalsContact C-N 3.33Å; Q428-C430 PolarHBondContact O-N 3.33Å
429K95.1Very high94.4Very high186 Ų18669.9 Ų69.981%0.80937%0.367SS*.  trans55.646.4-178.9-54179.8-178.7179.60112.5N426 G427N426-K429 PolarHBondContact O-N 3.5Å; N426-K429 VanDerWaalsContact O-N 3.12Å; G427-K429 PolarHBondContact O-N 3.43Å
430C95.8Very high94.5Very high8 Ų875.6 Ų75.65%0.05439%0.388CS..PPolyproline II helixtrans-64.6155.8174.5-520000110.6C309 L378 T380 N426 Q428C309-C430 WeakPolarHBondContact CA-SG 3.44Å; C309-C430 HydrophobicContact CB-CB 3.74Å; C309-C430 WeakPolarHBondContact CB-SG 3.14Å; C309-C430 VanDerWaalsContact SG-CA 3.53Å; C309-C430 WeakPolarHBondContact SG-CB 3.33Å; C309-C430 CovalentContact SG-SG 2.03Å; C309-C430 PolarHBondContact SG-SG 3.39Å; L378-C430 HydrophobicContact CD2-CB 4.17Å; T380-C430 HydrophobicContact CG2-CB 4.04Å; N426-C430 PolarHBondContact ND2-O 3.06Å; N426-C430 WeakPolarHBondContact OD1-CB 3.42Å; N426-C430 PolarHBondContact OD1-N 3.27Å; Q428-C430 VanDerWaalsContact C-N 3.33Å; Q428-C430 PolarHBondContact O-N 3.33Å
431P96.8Very high94.6Very high111 Ų11175.4 Ų75.472%0.72139%0.385SS*.PPolyproline II helixtrans-52.4144174.2-25.734.7000112.2T380 N433T380-P431 PolarHBondContact OG1-O 3.06Å; P431-N433 PolarHBondContact O-N 3.46Å
432E96.3Very high94.7Very high108 Ų10874.5 Ų74.551%0.50537%0.374SS..PPolyproline II helixtrans-64.8129.1179.2-62.8-172.2164.500110.7T380 R381 Q435T380-E432 WeakPolarHBondContact OG1-CA 3.39Å; R381-E432 IonicContact CZ-OE2 2.81Å; R381-E432 VanDerWaalsContact CZ-OE2 3.26Å; R381-E432 IonicContact NH1-OE1 3.45Å; R381-E432 IonicContact NH1-OE2 2.76Å; R381-E432 PolarHBondContact NH1-OE2 2.85Å; R381-E432 IonicContact NH2-OE2 3.26Å; R381-E432 PolarHBondContact NH2-OE2 3.11Å; E432-Q435 PolarHBondContact O-NE2 2.99Å; E432-Q435 VanDerWaalsContact O-NE2 3.16Å
433N96.8Very high94.8Very high28 Ų2876.5 Ų76.515%0.1538%0.384CS..SBendtrans-148.4120-177.3-174.322.1000108.8D373 L378 T380 R381 P431D373-N433 PolarHBondContact OD2-ND2 3.35Å; L378-N433 VanDerWaalsContact O-CB 3.27Å; L378-N433 WeakPolarHBondContact O-CB 3.34Å; L378-N433 PolarHBondContact O-ND2 2.93Å; L378-N433 VanDerWaalsContact O-ND2 3.1Å; T380-N433 PolarHBondContact N-O 3.31Å; T380-N433 PolarHBondContact OG1-N 3.25Å; T380-N433 PolarHBondContact OG1-O 3.41Å; R381-N433 PolarHBondContact N-O 3Å; R381-N433 VanDerWaalsContact N-O 3.15Å; P431-N433 PolarHBondContact O-N 3.46Å
434P96Very high94.5Very high13 Ų1378.7 Ų78.78%0.08439%0.386CS..SBendcis-72.9171.5232.4-37.6000113.8R381 D438R381-P434 PolarHBondContact NE-O 3.43Å; R381-P434 PolarHBondContact NH2-O 2.96Å; R381-P434 WeakPolarHBondContact O-CD 3.39Å; P434-D438 HydrophobicContact CB-CB 3.91Å
435Q95.3Very high94.2Very high127 Ų12780.4 Ų80.459%0.59339%0.392SS*.  trans-63.8163.1173.7-62.5-58.1-64.300111.4E432 E437 D438 Y439E432-Q435 PolarHBondContact O-NE2 2.99Å; E432-Q435 VanDerWaalsContact O-NE2 3.16Å; Q435-E437 VanDerWaalsContact C-N 3.35Å; Q435-E437 PolarHBondContact O-N 3.49Å; Q435-D438 PolarHBondContact O-N 2.93Å; Q435-Y439 WeakPolarHBondContact O-CB 3.42Å; Q435-Y439 PolarHBondContact O-N 2.99Å
436D95.6Very high93.7Very high80 Ų8079 Ų7943%0.42839%0.385SS..Hα-helixtrans-55.3-46.9-173.3-71.2-14.6000112.6R381 D438 Y439 Y440R381-D436 IonicContact CZ-OD1 3.32Å; R381-D436 VanDerWaalsContact CZ-OD1 3.32Å; R381-D436 IonicContact NH1-OD1 3.91Å; R381-D436 PolarHBondContact NH1-OD1 3.3Å; R381-D436 VanDerWaalsContact NH1-OD1 3.15Å; R381-D436 IonicContact NH2-OD1 2.77Å; R381-D436 PolarHBondContact NH2-OD1 3.49Å; D436-D438 PolarHBondContact O-N 3.42Å; D436-Y439 WeakPolarHBondContact O-CB 3.34Å; D436-Y439 PolarHBondContact O-N 2.93Å; D436-Y440 HydrophobicContact CB-CD2 4.28Å; D436-Y440 HydrophobicContact CB-CE2 4.05Å; D436-Y440 WeakPolarHBondContact O-CD2 3.4Å; D436-Y440 PolarHBondContact O-N 3.05Å
437E95.6Very high92.6Very high170 Ų17085 Ų8579%0.79440%0.404SS*.Hα-helixtrans-58-50-179.4-65-178.8178.100112.3Q435 Y439 Y440 K441Q435-E437 VanDerWaalsContact C-N 3.35Å; Q435-E437 PolarHBondContact O-N 3.49Å; E437-Y439 VanDerWaalsContact C-N 3.35Å; E437-Y439 PolarHBondContact O-N 2.98Å; E437-Y440 PolarHBondContact O-N 3.47Å; E437-K441 PolarHBondContact O-N 3.33Å
438D95.1Very high91.3Very high90 Ų9091.5 Ų91.548%0.48143%0.426SS..Hα-helixtrans-66.6-37.3178.1-73.4-36.3000111.9P434 Q435 D436 K441 Q442P434-D438 HydrophobicContact CB-CB 3.91Å; Q435-D438 PolarHBondContact O-N 2.93Å; D436-D438 PolarHBondContact O-N 3.42Å; D438-K441 PolarHBondContact O-N 2.99Å; D438-Q442 WeakPolarHBondContact O-CB 3.47Å; D438-Q442 VanDerWaalsContact O-CG 3.23Å; D438-Q442 WeakPolarHBondContact O-CG 3.44Å; D438-Q442 PolarHBondContact O-N 3.24Å
439Y95.3Very high89.6Confident55 Ų5597.6 Ų97.622%0.21645%0.452CS..Hα-helixtrans-63.1-47.3176.5174.9-100.8000111.5R381 W415 Q435 D436 E437 K441 Q442 F443R381-Y439 HydrophobicContact CB-CD2 4.09Å; R381-Y439 HydrophobicContact CB-CE2 3.91Å; R381-Y439 HydrophobicContact CG-CD2 3.7Å; R381-Y439 HydrophobicContact CG-CE2 4.04Å; R381-Y439 HydrophobicContact CG-CG 4.42Å; W415-Y439 HydrophobicContact CH2-CD2 4.16Å; W415-Y439 AromaticContact CH2-CE2 3.53Å; W415-Y439 HydrophobicContact CH2-CE2 3.53Å; W415-Y439 AromaticContact CZ3-CE2 3.99Å; W415-Y439 HydrophobicContact CZ3-CE2 3.99Å; Q435-Y439 WeakPolarHBondContact O-CB 3.42Å; Q435-Y439 PolarHBondContact O-N 2.99Å; D436-Y439 WeakPolarHBondContact O-CB 3.34Å; D436-Y439 PolarHBondContact O-N 2.93Å; E437-Y439 VanDerWaalsContact C-N 3.35Å; E437-Y439 PolarHBondContact O-N 2.98Å; Y439-K441 VanDerWaalsContact C-N 3.34Å; Y439-K441 PolarHBondContact O-N 2.93Å; Y439-Q442 PolarHBondContact O-N 3.36Å; Y439-F443 WeakPolarHBondContact O-CB 3.35Å; Y439-F443 PolarHBondContact O-N 2.95Å
440Y94.4Very high89.3Confident140 Ų14093.2 Ų93.255%0.54943%0.434SS..Hα-helixtrans-63.4-41.4178.2-74.9-60.6000111.7D436 E437 Q442 F443 E444D436-Y440 HydrophobicContact CB-CD2 4.28Å; D436-Y440 HydrophobicContact CB-CE2 4.05Å; D436-Y440 WeakPolarHBondContact O-CD2 3.4Å; D436-Y440 PolarHBondContact O-N 3.05Å; E437-Y440 PolarHBondContact O-N 3.47Å; Y440-Q442 PolarHBondContact O-N 2.97Å; Y440-F443 WeakPolarHBondContact O-CB 3.24Å; Y440-F443 PolarHBondContact O-N 3.12Å; Y440-F443 VanDerWaalsContact O-N 3.12Å; Y440-E444 WeakPolarHBondContact O-CG 3.35Å; Y440-E444 PolarHBondContact O-N 2.72Å
441K93.4Very high88.9Confident125 Ų12597.6 Ų97.654%0.54345%0.454SS..Hα-helixtrans-59.2-47.1173.5-175.5-177.8175.4-174.70112E437 D438 Y439 F443 E444 E445E437-K441 PolarHBondContact O-N 3.33Å; D438-K441 PolarHBondContact O-N 2.99Å; Y439-K441 VanDerWaalsContact C-N 3.34Å; Y439-K441 PolarHBondContact O-N 2.93Å; K441-F443 PolarHBondContact O-N 3.36Å; K441-E444 PolarHBondContact O-N 3.27Å; K441-E445 WeakPolarHBondContact CE-OE1 3.3Å; K441-E445 WeakPolarHBondContact O-CG 3.03Å; K441-E445 PolarHBondContact O-N 3.4Å
442Q92.6Very high88.5Confident22 Ų2296.9 Ų96.910%0.10344%0.44CS..Hα-helixtrans-61.6-33.1175.8-72.1175.428.800112.5K383 W415 D438 Y439 Y440 A446K383-Q442 HydrophobicContact CD-CG 4.23Å; K383-Q442 HydrophobicContact CG-CG 4.43Å; K383-Q442 VanDerWaalsContact N-OE1 3.15Å; W415-Q442 HydrophobicContact CZ2-CB 3.87Å; W415-Q442 WeakPolarHBondContact CZ2-O 3.41Å; W415-Q442 PolarHBondContact NE1-O 2.75Å; D438-Q442 WeakPolarHBondContact O-CB 3.47Å; D438-Q442 VanDerWaalsContact O-CG 3.23Å; D438-Q442 WeakPolarHBondContact O-CG 3.44Å; D438-Q442 PolarHBondContact O-N 3.24Å; Y439-Q442 PolarHBondContact O-N 3.36Å; Y440-Q442 PolarHBondContact O-N 2.97Å; Q442-A446 PolarHBondContact O-N 3.47Å
443F91.5Very high88Confident57 Ų5796.2 Ų96.225%0.2544%0.436CS..Hα-helixtrans-75.2-40-179.5-177.7-93.4000111.7W415 Y439 Y440 K441 A446 R447W415-F443 HydrophobicContact CH2-CB 4.31Å; W415-F443 HydrophobicContact CH2-CD2 4.2Å; W415-F443 HydrophobicContact CZ2-CB 4.2Å; Y439-F443 WeakPolarHBondContact O-CB 3.35Å; Y439-F443 PolarHBondContact O-N 2.95Å; Y440-F443 WeakPolarHBondContact O-CB 3.24Å; Y440-F443 PolarHBondContact O-N 3.12Å; Y440-F443 VanDerWaalsContact O-N 3.12Å; K441-F443 PolarHBondContact O-N 3.36Å; F443-A446 WeakPolarHBondContact O-CB 3.44Å; F443-A446 PolarHBondContact O-N 3.06Å; F443-R447 HydrophobicContact CE1-CG 4.46Å; F443-R447 PolarHBondContact O-N 3.13Å
444E89.4Confident87.5Confident128 Ų128100.5 Ų100.560%0.59845%0.454SS*.Hα-helixtrans-61.6-48.1171.7-72.7177.4176.400110.9Y440 K441 A446 R447Y440-E444 WeakPolarHBondContact O-CG 3.35Å; Y440-E444 PolarHBondContact O-N 2.72Å; K441-E444 PolarHBondContact O-N 3.27Å; E444-A446 PolarHBondContact O-N 3.11Å; E444-R447 PolarHBondContact O-N 3.03Å; E444-R447 VanDerWaalsContact O-N 3.12Å
445E87.6Confident86.9Confident67 Ų67106.3 Ų106.331%0.31348%0.478SS..Hα-helixtrans-54-37.7174.5-74.8172.3-171.200112.3K383 K441 R447 F449K383-E445 IonicContact NZ-OE2 3.01Å; K383-E445 PolarHBondContact NZ-OE2 3.46Å; K441-E445 WeakPolarHBondContact CE-OE1 3.3Å; K441-E445 WeakPolarHBondContact O-CG 3.03Å; K441-E445 PolarHBondContact O-N 3.4Å; E445-R447 VanDerWaalsContact C-N 3.34Å; E445-R447 PolarHBondContact O-N 3.45Å; E445-F449 VanDerWaalsContact O-CD2 3.24Å; E445-F449 WeakPolarHBondContact O-CD2 3.42Å
446A84.5Confident86.3Confident6 Ų6104.9 Ų104.95%0.0547%0.47CS..Hα-helixtrans-69.1-30.5-177.800000113.6Q442 F443 E444 E448Q442-A446 PolarHBondContact O-N 3.47Å; F443-A446 WeakPolarHBondContact O-CB 3.44Å; F443-A446 PolarHBondContact O-N 3.06Å; E444-A446 PolarHBondContact O-N 3.11Å; A446-E448 VanDerWaalsContact C-N 3.35Å
447R71.5Confident85.6Confident178 Ų178106.8 Ų106.867%0.67247%0.473SS*.Hα-helixtrans-83.3-11.5-176-71.5-176.561.9175.9-0.8113.8F443 E444 E445 F449F443-R447 HydrophobicContact CE1-CG 4.46Å; F443-R447 PolarHBondContact O-N 3.13Å; E444-R447 PolarHBondContact O-N 3.03Å; E444-R447 VanDerWaalsContact O-N 3.12Å; E445-R447 VanDerWaalsContact C-N 3.34Å; E445-R447 PolarHBondContact O-N 3.45Å; R447-F449 VanDerWaalsContact C-N 3.29Å
448E64.9Low84.8Confident166 Ų166101.5 Ų101.578%0.77645%0.446SS*.THydrogen-bonded Turntrans-83.7-3.8179.2-66.8-174.2163.800113.2A446A446-E448 VanDerWaalsContact C-N 3.35Å
449F57.4Low83.9Confident184 Ų184102.5 Ų102.581%0.80744%0.443SS*.  trans-108.40177.2-68.3-84.4000112.3E445 R447E445-F449 VanDerWaalsContact O-CD2 3.24Å; E445-F449 WeakPolarHBondContact O-CD2 3.42Å; R447-F449 VanDerWaalsContact C-N 3.29Å

Retrieved 449 of 449 residues in 118.6 ms (Link to these results)