A0A087XQF9_POEFO Loading...

Transmembrane protein 200B

AlphaFold DB , UniProt , Accession A0A087XQF9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 419 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
1M39.9Very low38.5Very low237 Ų237165.8 Ų165.8100%1.16784%0.836SS**  0117.70-69.9162.6175.400105.4
2K34.8Very low38.6Very low193 Ų193163 Ų16384%0.83984%0.838SS**  51122.950.8-75.8-168.6172.2-173.30110.4
3T40.9Very low38.8Very low118 Ų118158.6 Ų158.672%0.72483%0.831SS**  cis-135.3139.922.545.70000112.3
4E39.3Very low39.5Very low162 Ų162155.2 Ų155.276%0.75782%0.823SS**  61.2109.4101.9-49.9-15516000115
5M35.7Very low39.6Very low175 Ų175153.6 Ų153.686%0.86283%0.825SS**  69.6117.885.8-65.6-130.3-160.100115.4
6C38.7Very low39.5Very low107 Ų107151.4 Ų151.472%0.72382%0.823SS**  -169.4141.2105-100.50000115.3
7R35.8Very low39.7Very low243 Ų243157.2 Ų157.292%0.91783%0.83SS**  trans25.2139.2137.7-53.9178-172.1-147.3-0.8119.7
8G33.1Very low39.9Very low73 Ų73161.7 Ų161.775%0.75383%0.834SS**  cis175-174.54.500000115.1
9I44.1Very low40.6Very low173 Ų173163.4 Ų163.489%0.88783%0.834SS**  trans-94.7133.2-167.4-61.5164.5000111.5
10R35.5Very low40.6Very low242 Ų242160.5 Ų160.591%0.91383%0.827SS**  trans-147167.7157.2-111.1-155.8159.4172.7-4.1109.8
11P45.2Very low41Very low101 Ų101163.9 Ų163.966%0.65683%0.829SS**PPolyproline II helixtrans-96.9164.4-136.730.2-20000114.4S13P11-S13 PolarHBondContact O-N 2.83Å
12P40.1Very low41Very low132 Ų132161.9 Ų161.986%0.85781%0.814SS**PPolyproline II helixtrans-64.1121.6173.327.3-34.6000111.1
13S40.8Very low41.4Very low106 Ų106157.5 Ų157.574%0.74181%0.807SS**PPolyproline II helixtrans-81.8152.9171.249.20000111.5P11P11-S13 PolarHBondContact O-N 2.83Å
14P49.2Very low41.7Very low111 Ų111160.3 Ų160.372%0.72182%0.817SS**PPolyproline II helixtrans-71.5145.7-173.328.1-35.4000112.8C16P14-C16 PolarHBondContact O-N 3.02Å
15P41.2Very low41.8Very low131 Ų131163.4 Ų163.485%0.85182%0.821SS**  trans-72.5112.3-176.628.5-34.5000112.4R17P15-R17 PolarHBondContact O-N 3.03Å
16C37Very low42Very low118 Ų118157.9 Ų157.980%0.79781%0.81SS**  trans-61126.5174.9-560000111.7P14 R18P14-C16 PolarHBondContact O-N 3.02Å; C16-R18 PolarHBondContact O-N 3.45Å
17R44.3Very low42.2Very low250 Ų250164.3 Ų164.394%0.94382%0.819SS**  trans-58.4105175-75.6-172.3173.7-154.10.2111.3P15 K19P15-R17 PolarHBondContact O-N 3.03Å; R17-K19 PolarHBondContact O-N 3.27Å
18R42.6Very low43.2Very low238 Ų238161 Ų16190%0.89882%0.816SS**PPolyproline II helixtrans-76.7120.1168.1-71.6-176.4173.6179.7-1.1109.5C16C16-R18 PolarHBondContact O-N 3.45Å
19K53Low43.6Very low194 Ų194165 Ų16584%0.84381%0.812SS**PPolyproline II helixtrans-58.2135.2176-61.8178.7179.9-179.20110R17 R21R17-K19 PolarHBondContact O-N 3.27Å; K19-R21 PolarHBondContact O-N 3.39Å
20P41.8Very low44.1Very low106 Ų106166.7 Ų166.769%0.68881%0.813SS**PPolyproline II helixtrans-66.6121.2174.227.8-33000109.4F22P20-F22 PolarHBondContact O-N 3.02Å
21R48.1Very low44.4Very low232 Ų232159.8 Ų159.888%0.87579%0.794SS**  trans-74.4115.5166.7-65.1-176.1-176.6-175.30.2107.2K19 C23K19-R21 PolarHBondContact O-N 3.39Å; R21-C23 PolarHBondContact O-N 3.03Å
22F40.5Very low44.2Very low194 Ų194165.9 Ų165.985%0.85181%0.805SS**  trans-70.873.1172.4-80.3-82.1000110.7P20 L24P20-F22 PolarHBondContact O-N 3.02Å; F22-L24 PolarHBondContact O-N 3.07Å; F22-L24 VanDerWaalsContact O-N 3.11Å
23C42.6Very low44.3Very low102 Ų102168.3 Ų168.369%0.68981%0.807SS**  trans-66.7105.7158.8-65.20000107.3R21 R25R21-C23 PolarHBondContact O-N 3.03Å; C23-R25 PolarHBondContact O-N 3.45Å
24L46.6Very low44.5Very low177 Ų177171.2 Ų171.293%0.92781%0.812SS**  trans-66.865.1160.8-83.6167.2000109.2F22 G26F22-L24 PolarHBondContact O-N 3.07Å; F22-L24 VanDerWaalsContact O-N 3.11Å; L24-G26 PolarHBondContact O-N 3.01Å
25R42.7Very low44Very low226 Ų226174.1 Ų174.185%0.85382%0.816SS**  trans-74.576.7173.6-168.6177.3-161-104.82.9106.8C23 R27C23-R25 PolarHBondContact O-N 3.45Å; R25-R27 PolarHBondContact O-N 3.21Å
26G40.2Very low44.4Very low60 Ų60171 Ų17162%0.61981%0.807SS**  trans-42.8108.3-176.800000109.4L24 M28L24-G26 PolarHBondContact O-N 3.01Å; G26-M28 PolarHBondContact O-N 3.44Å
27R42.6Very low44.8Very low241 Ų241174.7 Ų174.791%0.90981%0.81SS**  trans-77.373.7-172.4-166.9-174.7-164.8-167.36.4107.3R25 K29R25-R27 PolarHBondContact O-N 3.21Å; R27-K29 VanDerWaalsContact C-N 3.27Å; R27-K29 PolarHBondContact O-N 2.83Å
28M55.8Low45.1Very low175 Ų175166 Ų16686%0.86278%0.782SS**  trans-53.197.7174.4-76.7-64.2178.200107.4G26 K30G26-M28 PolarHBondContact O-N 3.44Å; M28-K30 PolarHBondContact O-N 3.4Å; M28-K30 VanDerWaalsContact O-N 3.1Å
29K42.9Very low45.7Very low155 Ų155165.1 Ų165.167%0.67478%0.779SS**  trans-59.7116.2177-173.6164.1165.4-97.90104.1R27 D31R27-K29 VanDerWaalsContact C-N 3.27Å; R27-K29 PolarHBondContact O-N 2.83Å; K29-D31 WeakPolarHBondContact CE-OD1 3.2Å; K29-D31 IonicContact NZ-OD1 2.88Å; K29-D31 PolarHBondContact NZ-OD1 3.43Å; K29-D31 IonicContact NZ-OD2 2.63Å; K29-D31 PolarHBondContact NZ-OD2 3.48Å; K29-D31 PolarHBondContact O-N 3.4Å
30K53.4Low45.5Very low209 Ų209162.6 Ų162.691%0.90977%0.773SS**  trans-68.873.8165.1-86.4-170172.1-175.30106.6M28 R32M28-K30 PolarHBondContact O-N 3.4Å; M28-K30 VanDerWaalsContact O-N 3.1Å; K30-R32 PolarHBondContact O-N 3.03Å; K30-R32 VanDerWaalsContact O-N 3.16Å
31D41.8Very low46.1Very low97 Ų97169.1 Ų169.152%0.51978%0.784SS.*  trans-57.5120.6165.6-83.5-46.8000106.3K29 M33K29-D31 WeakPolarHBondContact CE-OD1 3.2Å; K29-D31 IonicContact NZ-OD1 2.88Å; K29-D31 PolarHBondContact NZ-OD1 3.43Å; K29-D31 IonicContact NZ-OD2 2.63Å; K29-D31 PolarHBondContact NZ-OD2 3.48Å; K29-D31 PolarHBondContact O-N 3.4Å; D31-M33 PolarHBondContact O-N 3.14Å; D31-M33 VanDerWaalsContact O-N 3.13Å
32R41.1Very low47.1Very low230 Ų230160.2 Ų160.287%0.86876%0.757SS**  trans-46.9125.5157.7-85.2175.4-85.7-114.6-1.3105.2K30 I34K30-R32 PolarHBondContact O-N 3.03Å; K30-R32 VanDerWaalsContact O-N 3.16Å; R32-I34 PolarHBondContact O-N 3.17Å
33M43.4Very low48.7Very low183 Ų183158.2 Ų158.290%0.90175%0.752SS**  trans-63.789178.7-69.5174.4172.600107.8D31 Q35D31-M33 PolarHBondContact O-N 3.14Å; D31-M33 VanDerWaalsContact O-N 3.13Å; M33-Q35 PolarHBondContact O-N 3.04Å
34I44.1Very low50.4Low166 Ų166154.5 Ų154.585%0.85173%0.727SS**  trans-61.392156.9-60.3174.8000102.4R32 G36R32-I34 PolarHBondContact O-N 3.17Å; I34-G36 PolarHBondContact O-N 3.47Å
35Q39.2Very low52.1Low173 Ų173146.6 Ų146.681%0.80869%0.689SS**  trans-72.681.8-171.1-172.31789.300106.8M33 K37M33-Q35 PolarHBondContact O-N 3.04Å; Q35-K37 VanDerWaalsContact C-N 3.27Å; Q35-K37 PolarHBondContact O-N 3.15Å
36G48.8Very low54.2Low65 Ų65138.5 Ų138.567%0.6767%0.67SS**  trans-56.896.9174.400000107I34 L38I34-G36 PolarHBondContact O-N 3.47Å; G36-L38 PolarHBondContact O-N 3.47Å
37K45.6Very low56.4Low195 Ų195141.1 Ų141.185%0.84866%0.664SS**  trans-75.746.7-176.9-163.9176.4178.21770110.1Q35 R39Q35-K37 VanDerWaalsContact C-N 3.27Å; Q35-K37 PolarHBondContact O-N 3.15Å; K37-R39 PolarHBondContact O-N 3.13Å
38L50.8Low58.6Low69 Ų69131.8 Ų131.836%0.36163%0.632SS.*  trans-46.3124.9161.6-178.171.6000106.3G36 I40G36-L38 PolarHBondContact O-N 3.47Å; L38-I40 HydrophobicContact CD2-CG2 4.26Å; L38-I40 HydrophobicContact CG-CG2 4.47Å; L38-I40 PolarHBondContact O-N 3.28Å
39R54.6Low60.2Low218 Ų218127.5 Ų127.582%0.82362%0.616SS**  trans-72.483.6179.5-68178.8174.4-172.4-1.8107.9K37 R41 S42K37-R39 PolarHBondContact O-N 3.13Å; R39-R41 PolarHBondContact O-N 3.02Å; R39-S42 PolarHBondContact O-N 3.23Å; R39-S42 PolarHBondContact O-OG 3.48Å
40I48.2Very low62.5Low142 Ų142124.4 Ų124.473%0.72861%0.606SS**THydrogen-bonded Turntrans-63.220.5176.452.8171.3000114.3L38L38-I40 HydrophobicContact CD2-CG2 4.26Å; L38-I40 HydrophobicContact CG-CG2 4.47Å; L38-I40 PolarHBondContact O-N 3.28Å
41R56.3Low64.4Low242 Ų242114.5 Ų114.591%0.91356%0.563SS**THydrogen-bonded Turntrans-129.124.6170.1-158.2177175.888.1-1.7111R39R39-R41 PolarHBondContact O-N 3.02Å
42S67.6Low66.8Low46 Ų46113.6 Ų113.632%0.32256%0.561SS.*SBendtrans-75148157.465.70000109.2R39 G45 A46R39-S42 PolarHBondContact O-N 3.23Å; R39-S42 PolarHBondContact O-OG 3.48Å; S42-G45 PolarHBondContact O-N 3.41Å; S42-A46 PolarHBondContact O-N 3.41Å
43M75.1Confident69.4Low151 Ų151107 Ų10774%0.74454%0.542SS*.Hα-helixtrans-49-52179.5-77.4-66.6-176.100113.9G45 A46 F47M43-G45 PolarHBondContact O-N 2.99Å; M43-A46 WeakPolarHBondContact O-CB 3.35Å; M43-A46 PolarHBondContact O-N 3.29Å; M43-A46 VanDerWaalsContact O-N 3.12Å; M43-F47 VanDerWaalsContact O-CD2 3.22Å; M43-F47 WeakPolarHBondContact O-CD2 3.31Å; M43-F47 PolarHBondContact O-N 3.46Å
44P77.8Confident71.8Confident24 Ų24100.1 Ų100.116%0.15651%0.51CS..Hα-helixtrans-66.7-24.6-179.528.7-37.1000113.3F47 L48 V133 L134P44-F47 PolarHBondContact O-N 2.89Å; P44-L48 PolarHBondContact O-N 3.37Å; P44-V133 HydrophobicContact CB-CG1 4.08Å; P44-L134 HydrophobicContact CB-CD2 3.72Å; P44-L134 HydrophobicContact CB-CG 3.92Å; P44-L134 HydrophobicContact CG-CD2 3.82Å
45G83.1Confident74.2Confident12 Ų1293.6 Ų93.612%0.12448%0.478CS..Hα-helixtrans-66.2-35.9172.800000113.1S42 M43 L48 V49S42-G45 PolarHBondContact O-N 3.41Å; M43-G45 PolarHBondContact O-N 2.99Å; G45-L48 PolarHBondContact O-N 3.09Å; G45-V49 WeakPolarHBondContact O-CG2 3.39Å; G45-V49 PolarHBondContact O-N 3.43Å
46A85.1Confident76.8Confident55 Ų5588.1 Ų88.146%0.45546%0.462SS..Hα-helixtrans-67.1-39.8176.400000112.2S42 M43 L48 V49 L50S42-A46 PolarHBondContact O-N 3.41Å; M43-A46 WeakPolarHBondContact O-CB 3.35Å; M43-A46 PolarHBondContact O-N 3.29Å; M43-A46 VanDerWaalsContact O-N 3.12Å; A46-L48 VanDerWaalsContact C-N 3.35Å; A46-L48 PolarHBondContact O-N 2.84Å; A46-V49 PolarHBondContact O-N 2.88Å; A46-L50 WeakPolarHBondContact O-CB 3.45Å; A46-L50 PolarHBondContact O-N 3.19Å
47F87.3Confident78.9Confident115 Ų11588.5 Ų88.550%0.50445%0.451SS..Hα-helixtrans-65.3-35.2176.1-69.7-71000112.9M43 P44 L50 G51 A130M43-F47 VanDerWaalsContact O-CD2 3.22Å; M43-F47 WeakPolarHBondContact O-CD2 3.31Å; M43-F47 PolarHBondContact O-N 3.46Å; P44-F47 PolarHBondContact O-N 2.89Å; F47-L50 PolarHBondContact O-N 3.29Å; F47-G51 PolarHBondContact O-N 3.48Å; F47-A130 HydrophobicContact CB-CB 4.01Å
48L88.8Confident81.1Confident45 Ų4579.2 Ų79.224%0.23641%0.411CS..Hα-helixtrans-64.3-46.2173.1178.363.7000111.7P44 G45 A46 L50 G51 V52 L127 A130 L134P44-L48 PolarHBondContact O-N 3.37Å; G45-L48 PolarHBondContact O-N 3.09Å; A46-L48 VanDerWaalsContact C-N 3.35Å; A46-L48 PolarHBondContact O-N 2.84Å; L48-L50 VanDerWaalsContact C-N 3.32Å; L48-L50 PolarHBondContact O-N 2.77Å; L48-G51 PolarHBondContact O-N 3.28Å; L48-V52 WeakPolarHBondContact O-CG2 3.35Å; L48-V52 PolarHBondContact O-N 2.97Å; L48-L127 HydrophobicContact CD1-CD1 4.43Å; L48-L127 HydrophobicContact CD1-CG 4.06Å; L48-A130 HydrophobicContact CB-CB 4.26Å; L48-L134 HydrophobicContact CB-CD1 3.6Å; L48-L134 HydrophobicContact CD2-CD1 3.49Å; L48-L134 VanDerWaalsContact CD2-CD1 3.49Å; L48-L134 HydrophobicContact CG-CD1 4.09Å
49V90.3Very high83.1Confident86 Ų8679 Ų7952%0.52141%0.413SS..Hα-helixtrans-61-42.6177.1173.40000110.9G45 A46 V52 I53G45-V49 WeakPolarHBondContact O-CG2 3.39Å; G45-V49 PolarHBondContact O-N 3.43Å; A46-V49 PolarHBondContact O-N 2.88Å; V49-V52 PolarHBondContact O-N 3.35Å; V49-I53 HydrophobicContact CG1-CD1 3.97Å; V49-I53 WeakPolarHBondContact O-CG1 3.44Å; V49-I53 PolarHBondContact O-N 3.15Å
50L89.3Confident84.8Confident90 Ų9071.5 Ų71.547%0.47140%0.397SS..Hα-helixtrans-61.4-45174.8-176.862.6000111.8A46 F47 L48 V52 I53 V54A46-L50 WeakPolarHBondContact O-CB 3.45Å; A46-L50 PolarHBondContact O-N 3.19Å; F47-L50 PolarHBondContact O-N 3.29Å; L48-L50 VanDerWaalsContact C-N 3.32Å; L48-L50 PolarHBondContact O-N 2.77Å; L50-V52 PolarHBondContact O-N 2.94Å; L50-I53 PolarHBondContact O-N 3.38Å; L50-V54 WeakPolarHBondContact O-CG2 3.44Å; L50-V54 PolarHBondContact O-N 2.81Å
51G93.3Very high86.6Confident0 Ų068 Ų680%038%0.38CS..Hα-helixtrans-58.3-44.7175.300000112.7F47 L48 I53 V54 V55F47-G51 PolarHBondContact O-N 3.48Å; L48-G51 PolarHBondContact O-N 3.28Å; G51-I53 VanDerWaalsContact C-N 3.35Å; G51-I53 PolarHBondContact O-N 2.91Å; G51-V54 PolarHBondContact O-N 3.04Å; G51-V55 WeakPolarHBondContact O-CG2 3.43Å; G51-V55 PolarHBondContact O-N 3.46Å
52V93.8Very high88.2Confident78 Ų7858 Ų5847%0.47335%0.348SS..Hα-helixtrans-61.2-41.8175.4172.20000111.6L48 V49 L50 V55 A56 L127L48-V52 WeakPolarHBondContact O-CG2 3.35Å; L48-V52 PolarHBondContact O-N 2.97Å; V49-V52 PolarHBondContact O-N 3.35Å; L50-V52 PolarHBondContact O-N 2.94Å; V52-V55 PolarHBondContact O-N 3.24Å; V52-A56 WeakPolarHBondContact O-CB 3.49Å; V52-A56 PolarHBondContact O-N 3.07Å; V52-L127 HydrophobicContact CG2-CD1 3.64Å
53I94.9Very high89.1Confident93 Ų9359.8 Ų59.848%0.47736%0.357SS..Hα-helixtrans-63.9-45.3176.7-67.7163.9000110.9V49 L50 G51 V55 A56 V57V49-I53 HydrophobicContact CG1-CD1 3.97Å; V49-I53 WeakPolarHBondContact O-CG1 3.44Å; V49-I53 PolarHBondContact O-N 3.15Å; L50-I53 PolarHBondContact O-N 3.38Å; G51-I53 VanDerWaalsContact C-N 3.35Å; G51-I53 PolarHBondContact O-N 2.91Å; I53-V55 PolarHBondContact O-N 3.42Å; I53-A56 PolarHBondContact O-N 2.77Å; I53-V57 WeakPolarHBondContact O-CG2 3.23Å; I53-V57 PolarHBondContact O-N 2.76Å
54V93.2Very high89.5Confident38 Ų3855.1 Ų55.123%0.2334%0.343CS..Hα-helixtrans-64.9-39.6178.4176.70000111.5L50 G51 V57 G58 I119L50-V54 WeakPolarHBondContact O-CG2 3.44Å; L50-V54 PolarHBondContact O-N 2.81Å; G51-V54 PolarHBondContact O-N 3.04Å; V54-V57 PolarHBondContact O-N 2.91Å; V54-G58 PolarHBondContact O-N 3.07Å; V54-I119 HydrophobicContact CG1-CG2 4.1Å
55V94.8Very high89.7Confident28 Ų2855.4 Ų55.417%0.1735%0.35CS..Hα-helixtrans-62.6-45.6172.8172.40000110.8G51 V52 I53 V57 G58 T59 L124 L127G51-V55 WeakPolarHBondContact O-CG2 3.43Å; G51-V55 PolarHBondContact O-N 3.46Å; V52-V55 PolarHBondContact O-N 3.24Å; I53-V55 PolarHBondContact O-N 3.42Å; V55-V57 PolarHBondContact O-N 3.46Å; V55-G58 PolarHBondContact O-N 2.68Å; V55-T59 WeakPolarHBondContact O-CB 3.29Å; V55-T59 PolarHBondContact O-N 2.8Å; V55-T59 PolarHBondContact O-OG1 2.71Å; V55-L124 HydrophobicContact CG2-CD2 4.32Å; V55-L124 HydrophobicContact CG2-CG 4.14Å; V55-L127 HydrophobicContact CG2-CD1 4.41Å
56A94.8Very high89.3Confident58 Ų5864.7 Ų64.748%0.47938%0.383SS..Hα-helixtrans-60.9-42.7178.500000112.5V52 I53 T59 A60V52-A56 WeakPolarHBondContact O-CB 3.49Å; V52-A56 PolarHBondContact O-N 3.07Å; I53-A56 PolarHBondContact O-N 2.77Å; A56-T59 PolarHBondContact O-N 2.78Å; A56-A60 WeakPolarHBondContact O-CB 3.38Å; A56-A60 PolarHBondContact O-N 2.76Å
57V92.8Very high88.9Confident73 Ų7369.2 Ų69.244%0.44239%0.388SS..Hα-helixtrans-66.4-42.8174.4172.90000111.3I53 V54 V55 T59 A60 L61I53-V57 WeakPolarHBondContact O-CG2 3.23Å; I53-V57 PolarHBondContact O-N 2.76Å; V54-V57 PolarHBondContact O-N 2.91Å; V55-V57 PolarHBondContact O-N 3.46Å; V57-T59 PolarHBondContact O-N 3.06Å; V57-A60 PolarHBondContact O-N 3.31Å; V57-L61 HydrophobicContact CG1-CD1 3.91Å; V57-L61 HydrophobicContact CG1-CG 4.37Å; V57-L61 WeakPolarHBondContact O-CB 3.38Å; V57-L61 WeakPolarHBondContact O-CG 3.46Å; V57-L61 PolarHBondContact O-N 3.12Å
58G92.1Very high87.5Confident0 Ų068.7 Ų68.70%040%0.397CS..Hα-helixtrans-61-41.7175.400000112.9V54 V55 L61 A62V54-G58 PolarHBondContact O-N 3.07Å; V55-G58 PolarHBondContact O-N 2.68Å; G58-L61 PolarHBondContact O-N 3.05Å; G58-A62 WeakPolarHBondContact O-CB 3.32Å; G58-A62 PolarHBondContact O-N 3.1Å
59T91.8Very high85.9Confident65 Ų6573.8 Ų73.840%0.39941%0.414SS..Hα-helixtrans-65.5-44173.1-56.90000111.5V55 A56 V57 L61 A62 V63V55-T59 WeakPolarHBondContact O-CB 3.29Å; V55-T59 PolarHBondContact O-N 2.8Å; V55-T59 PolarHBondContact O-OG1 2.71Å; A56-T59 PolarHBondContact O-N 2.78Å; V57-T59 PolarHBondContact O-N 3.06Å; T59-L61 VanDerWaalsContact C-N 3.34Å; T59-L61 PolarHBondContact O-N 3.41Å; T59-A62 PolarHBondContact O-N 3.13Å; T59-V63 HydrophobicContact CG2-CG2 4.42Å; T59-V63 WeakPolarHBondContact O-CB 3.4Å; T59-V63 WeakPolarHBondContact O-CG2 3.38Å; T59-V63 PolarHBondContact O-N 2.9Å
60A90.6Very high84Confident60 Ų6080.6 Ų80.650%0.49643%0.43SS..Hα-helixtrans-61.5-41.3176.400000112A56 V57 V63 A64A56-A60 WeakPolarHBondContact O-CB 3.38Å; A56-A60 PolarHBondContact O-N 2.76Å; V57-A60 PolarHBondContact O-N 3.31Å; A60-V63 PolarHBondContact O-N 3.44Å; A60-A64 WeakPolarHBondContact O-CB 3.27Å; A60-A64 PolarHBondContact O-N 3.29Å
61L86.9Confident82.1Confident70 Ų7083.4 Ų83.437%0.36644%0.439SS..Hα-helixtrans-69.1-37.4175.3-71.2171.7000112.6V57 G58 T59 G65 I119V57-L61 HydrophobicContact CG1-CD1 3.91Å; V57-L61 HydrophobicContact CG1-CG 4.37Å; V57-L61 WeakPolarHBondContact O-CB 3.38Å; V57-L61 WeakPolarHBondContact O-CG 3.46Å; V57-L61 PolarHBondContact O-N 3.12Å; G58-L61 PolarHBondContact O-N 3.05Å; T59-L61 VanDerWaalsContact C-N 3.34Å; T59-L61 PolarHBondContact O-N 3.41Å; L61-G65 PolarHBondContact O-N 2.73Å; L61-I119 HydrophobicContact CD1-CD1 3.64Å
62A88.6Confident79.9Confident30 Ų3088 Ų8825%0.24847%0.471CS..Hα-helixtrans-65.5-42.8173.800000111.7G58 T59 Y66G58-A62 WeakPolarHBondContact O-CB 3.32Å; G58-A62 PolarHBondContact O-N 3.1Å; T59-A62 PolarHBondContact O-N 3.13Å; A62-Y66 WeakPolarHBondContact O-CB 3.39Å; A62-Y66 PolarHBondContact O-N 3.33Å
63V87.4Confident77.5Confident84 Ų8495.9 Ų95.951%0.50949%0.492SS..Hα-helixtrans-66.7-45.7175.4171.60000110.9T59 A60 G65 Y66 W67T59-V63 HydrophobicContact CG2-CG2 4.42Å; T59-V63 WeakPolarHBondContact O-CB 3.4Å; T59-V63 WeakPolarHBondContact O-CG2 3.38Å; T59-V63 PolarHBondContact O-N 2.9Å; A60-V63 PolarHBondContact O-N 3.44Å; V63-G65 PolarHBondContact O-N 3.26Å; V63-Y66 PolarHBondContact O-N 3Å; V63-W67 VanDerWaalsContact O-CB 3.29Å; V63-W67 WeakPolarHBondContact O-CB 3.41Å; V63-W67 PolarHBondContact O-N 2.77Å
64A83Confident74.9Confident53 Ų5396.4 Ų96.444%0.43850%0.504SS..Hα-helixtrans-66.9-34.9178.600000113.1A60A60-A64 WeakPolarHBondContact O-CB 3.27Å; A60-A64 PolarHBondContact O-N 3.29Å
65G81.2Confident72.5Confident30 Ų3099.1 Ų99.131%0.30953%0.525SS..Hα-helixtrans-75.5-20.3175.200000114.4L61 V63L61-G65 PolarHBondContact O-N 2.73Å; V63-G65 PolarHBondContact O-N 3.26Å
66Y76.3Confident70.2Confident208 Ų208105.3 Ų105.382%0.81656%0.555SS**Hα-helixtrans-90.7-31.4170.9-174-101.8000112.6A62 V63A62-Y66 WeakPolarHBondContact O-CB 3.39Å; A62-Y66 PolarHBondContact O-N 3.33Å; V63-Y66 PolarHBondContact O-N 3Å
67W76.1Confident67.8Low149 Ų149110 Ų11056%0.56457%0.57SS**SBendtrans-66.1126.8177.4-166-79000110.1V63 Y69V63-W67 VanDerWaalsContact O-CB 3.29Å; V63-W67 WeakPolarHBondContact O-CB 3.41Å; V63-W67 PolarHBondContact O-N 2.77Å; W67-Y69 HydrophobicContact CB-CD2 4.03Å; W67-Y69 HydrophobicContact CB-CE2 4.34Å; W67-Y69 AromaticContact CD1-CD2 3.16Å; W67-Y69 AromaticContact CD1-CE2 3.31Å; W67-Y69 AromaticContact CD1-CG 3.81Å; W67-Y69 HydrophobicContact CD2-CE2 4.48Å; W67-Y69 AromaticContact CG-CD2 3.78Å; W67-Y69 HydrophobicContact CG-CD2 3.78Å; W67-Y69 AromaticContact CG-CE2 3.81Å; W67-Y69 HydrophobicContact CG-CE2 3.81Å; W67-Y69 AromaticContact NE1-CD2 3.95Å; W67-Y69 AromaticContact NE1-CE2 3.7Å; W67-Y69 PolarHBondContact O-N 3.44Å
68P56.8Low65.5Low105 Ų105115 Ų11568%0.68259%0.589SS**  trans-76.970.8-17932.1-35.6000110.8R70P68-R70 PolarHBondContact O-N 2.93Å
69Y55.7Low63.1Low152 Ų152122.5 Ų122.560%0.59663%0.629SS**  trans-67.889.1-180-105.7-73.2000111.3W67 F71W67-Y69 HydrophobicContact CB-CD2 4.03Å; W67-Y69 HydrophobicContact CB-CE2 4.34Å; W67-Y69 AromaticContact CD1-CD2 3.16Å; W67-Y69 AromaticContact CD1-CE2 3.31Å; W67-Y69 AromaticContact CD1-CG 3.81Å; W67-Y69 HydrophobicContact CD2-CE2 4.48Å; W67-Y69 AromaticContact CG-CD2 3.78Å; W67-Y69 HydrophobicContact CG-CD2 3.78Å; W67-Y69 AromaticContact CG-CE2 3.81Å; W67-Y69 HydrophobicContact CG-CE2 3.81Å; W67-Y69 AromaticContact NE1-CD2 3.95Å; W67-Y69 AromaticContact NE1-CE2 3.7Å; W67-Y69 PolarHBondContact O-N 3.44Å; Y69-F71 HydrophobicContact CD1-CB 4.21Å; Y69-F71 AromaticContact CD1-CD2 3.93Å; Y69-F71 HydrophobicContact CD1-CD2 3.93Å; Y69-F71 HydrophobicContact CE1-CD2 4.14Å; Y69-F71 PolarHBondContact O-N 3.35Å
70R50.4Low60.5Low228 Ų228125.6 Ų125.686%0.8665%0.648SS**  trans-735.6171.6-73-71.8-175.3163.7-0.3113.6P68P68-R70 PolarHBondContact O-N 2.93Å
71F50.8Low58.3Low150 Ų150132.2 Ų132.266%0.65867%0.669SS**  trans-117.296.8-173.8-48.7-82.6000110Y69Y69-F71 HydrophobicContact CD1-CB 4.21Å; Y69-F71 AromaticContact CD1-CD2 3.93Å; Y69-F71 HydrophobicContact CD1-CD2 3.93Å; Y69-F71 HydrophobicContact CE1-CD2 4.14Å; Y69-F71 PolarHBondContact O-N 3.35Å
72S46.9Very low56.2Low96 Ų96135.6 Ų135.667%0.67169%0.686SS**SBendtrans177.3-21.5165-82.50000113S74S72-S74 PolarHBondContact O-N 3.27Å
73R42.2Very low53.7Low244 Ų244142.9 Ų142.992%0.92172%0.715SS**THydrogen-bonded Turntrans-80.144.6176.2-159.6-166.3170.4170.2-2.1112.3
74S40.5Very low51Low104 Ų104143.4 Ų143.473%0.72772%0.723SS**THydrogen-bonded Turntrans-161.736.3-173.964.10000112.8S72S72-S74 PolarHBondContact O-N 3.27Å
75S42.2Very low49Very low95 Ų95148.1 Ų148.166%0.66474%0.739SS**SBendtrans-151.823.8175.572.80000113.7
76I47.4Very low46.8Very low157 Ų157152.2 Ų152.281%0.80576%0.763SS**SBendtrans-143.720.3173.3-34.4177.4000110.2
77I44.9Very low44.7Very low157 Ų157149.4 Ų149.481%0.80576%0.762SS**SBendtrans-146.452.7172.6-42.8177.5000108.6
78E43.6Very low43Very low177 Ų177148 Ų14883%0.82777%0.772SS**  trans-149.5150.6161.3-150.3165.6153.700104.5
79D42.8Very low42Very low159 Ų159150.6 Ų150.685%0.8578%0.775SS**SBendtrans74.374.9-162.3-58.4-23.2000116.5
80T37.1Very low41.5Very low129 Ų129148 Ų14879%0.79178%0.777SS**  -179.588.9122.4-65.70000109L82T80-L82 PolarHBondContact O-N 2.9Å
81E43.6Very low41Very low200 Ų200142.4 Ų142.494%0.93577%0.773SS**  trans-87.184158.7-76.3-160.9135.700109.2
82L43.4Very low40.1Very low141 Ų141140.8 Ų140.874%0.73878%0.78SS**  trans-153.6112.6158.4-150.175000112.7T80T80-L82 PolarHBondContact O-N 2.9Å
83E35.3Very low39.5Very low182 Ų182146.7 Ų146.785%0.8579%0.788SS**  trans28.1141.2138.5-130.4174.5132.800123.1
84S30.6Very low38.9Very low95 Ų95140.5 Ų140.566%0.66478%0.782SS**  trans72.395.5149.6-170.70000121.4
85I41Very low38.8Very low153 Ų153142.7 Ų142.779%0.78579%0.785SS**  35.2104.4125.6-48.7168.6000118.1
86S34.7Very low38.6Very low116 Ų116141.1 Ų141.181%0.81178%0.784SS**  168.4154.7127.5-75.30000113.7
87D32.5Very low38.1Very low148 Ų148140.1 Ų140.179%0.79179%0.785SS**  trans-67.6159.5158.5-117.4-45.9000109.9
88P39.5Very low37.8Very low120 Ų120141.9 Ų141.978%0.77979%0.787SS**  -151.4175.553.643.4-23000118.7
89Q35.9Very low37.8Very low159 Ų159136.6 Ų136.674%0.74378%0.78SS**  trans-67.1171.3152.9-82.3-73.6-5200112.6
90P45.8Very low37.8Very low99 Ų99137.6 Ų137.664%0.64378%0.777SS**  cis-132.1175-4.837.6-19.6000116
91S40.5Very low37.9Very low109 Ų109140.9 Ų140.976%0.76278%0.781SS**  trans45.9117146.964.50000121.8
92S30.7Very low37.6Very low117 Ų117135.9 Ų135.982%0.81877%0.768SS**  trans-149.4132.5142.2-165.30000114.1
93W34.7Very low37.9Very low219 Ų219134.4 Ų134.483%0.8377%0.767SS**  trans-4.3127.9153.3169.9-76.8000118.9
94S29.9Very low38.2Very low115 Ų115129.9 Ų129.980%0.80476%0.761SS**  trans-150.1102.1142.348.90000110.9G96S94-G96 VanDerWaalsContact C-N 3.3Å; S94-G96 PolarHBondContact O-N 3Å
95L38.7Very low38.9Very low149 Ų149130.3 Ų130.378%0.7876%0.764SS**  trans-79.869-173.3-17362.1000112.4T97L95-T97 PolarHBondContact O-N 3.27Å
96G36.8Very low39.3Very low63 Ų63126 Ų12665%0.64974%0.742SS**  trans-86.597177.800000113.6S94 K98S94-G96 VanDerWaalsContact C-N 3.3Å; S94-G96 PolarHBondContact O-N 3Å; G96-K98 PolarHBondContact O-N 3.1Å
97T38.8Very low39.9Very low135 Ų135127.6 Ų127.683%0.82874%0.741SS**SBendtrans2.399.7168.453.80000118.7L95L95-T97 PolarHBondContact O-N 3.27Å
98K38.4Very low40.6Very low194 Ų194126.7 Ų126.784%0.84373%0.732SS**  trans55.566.7154.3-58.4-175.4179.4-1790116.5G96G96-K98 PolarHBondContact O-N 3.1Å
99G42.3Very low41.6Very low67 Ų67123.4 Ų123.469%0.69172%0.719SS**  trans-64.4134.8165.200000113
100F43.5Very low42.9Very low179 Ų179120.1 Ų120.179%0.78571%0.707SS**  trans-130.1-4.7165.5-84.9-75.3000113.6
101F39.7Very low43.6Very low198 Ų198123.6 Ų123.687%0.86871%0.707SS**  trans-13980.9179.1-61.6-73.5000110.8P103F101-P103 VanDerWaalsContact O-CD 3.29Å; F101-P103 WeakPolarHBondContact O-CD 3.47Å
102S37.2Very low44.7Very low96 Ų96123 Ų12367%0.67169%0.693SS**  trans-82.9108.4161.3-68.40000108.4A104S102-A104 PolarHBondContact O-N 3.44Å
103P48.7Very low46.7Very low110 Ų110123.3 Ų123.371%0.71468%0.68SS**G310 helixtrans-73.3-9.9-17530.7-36.4000113.6F101 S105 L106F101-P103 VanDerWaalsContact O-CD 3.29Å; F101-P103 WeakPolarHBondContact O-CD 3.47Å; P103-S105 PolarHBondContact O-N 2.94Å; P103-S105 VanDerWaalsContact O-N 3.07Å; P103-L106 WeakPolarHBondContact O-CB 3.48Å; P103-L106 PolarHBondContact O-N 3.4Å
104A41.5Very low48.8Very low87 Ų87117.8 Ų117.872%0.71967%0.666SS**G310 helixtrans-60.4-18.3-174.800000115S102S102-A104 PolarHBondContact O-N 3.44Å
105S46.1Very low51.4Low104 Ų104115.7 Ų115.773%0.72765%0.646SS**G310 helixtrans-99.44.9176.158.50000114.5P103 L107P103-S105 PolarHBondContact O-N 2.94Å; P103-S105 VanDerWaalsContact O-N 3.07Å; S105-L107 PolarHBondContact O-N 3.06Å
106L49.9Very low53.7Low61 Ų61108.6 Ų108.632%0.31961%0.608SS.*  trans-79.446.7177.8-142.4175.4000112P103 H108 R111 M112 L115P103-L106 WeakPolarHBondContact O-CB 3.48Å; P103-L106 PolarHBondContact O-N 3.4Å; L106-H108 PolarHBondContact O-N 3.47Å; L106-R111 HydrophobicContact CD2-CB 4Å; L106-M112 HydrophobicContact CB-CE 4.24Å; L106-M112 HydrophobicContact CD1-CE 4.2Å; L106-M112 HydrophobicContact CD1-CG 4.12Å; L106-M112 HydrophobicContact CD2-CE 4Å; L106-M112 HydrophobicContact CD2-CG 3.69Å; L106-M112 HydrophobicContact CG-CE 4.35Å; L106-L115 HydrophobicContact CD1-CD2 4.45Å
107L46.1Very low56.2Low150 Ų150108.8 Ų108.879%0.78560%0.598SS**  trans-8051.6-171.1-65.8177.7000114.1S105S105-L107 PolarHBondContact O-N 3.06Å
108H48.3Very low58.7Low130 Ų130106.7 Ų106.760%0.60259%0.585SS**  trans-156.8117.7153.4-127.869.2000111L106 D110 R111L106-H108 PolarHBondContact O-N 3.47Å; H108-D110 PolarHBondContact O-N 3.33Å; H108-D110 VanDerWaalsContact O-N 3.11Å; H108-R111 HydrophobicContact CB-CG 4.19Å; H108-R111 WeakPolarHBondContact O-CB 3.26Å; H108-R111 PolarHBondContact O-N 3.33Å
109G59.8Low61.1Low50 Ų5099.6 Ų99.652%0.51556%0.556SS.*Hα-helixtrans-57.5-31.4-171.100000114.8R111 M112G109-R111 VanDerWaalsContact C-N 3.3Å; G109-R111 PolarHBondContact O-N 3.16Å; G109-M112 PolarHBondContact O-N 3.13Å
110D62.7Low63.5Low90 Ų9099.6 Ų99.648%0.48154%0.538SS..Hα-helixtrans-72.9-18.6179-64.7-50.2000114.2H108 M112 K113H108-D110 PolarHBondContact O-N 3.33Å; H108-D110 VanDerWaalsContact O-N 3.11Å; D110-M112 VanDerWaalsContact C-N 3.28Å; D110-M112 PolarHBondContact O-N 3.14Å; D110-K113 PolarHBondContact O-N 2.96Å; D110-K113 IonicContact OD1-NZ 3.69Å; D110-K113 PolarHBondContact OD1-NZ 3.46Å
111R60.9Low65.9Low173 Ų17392.8 Ų92.865%0.65352%0.519SS*.Hα-helixtrans-69.5-27.4175-66.8-73.1169.1149.3-3.8112L106 H108 G109 K113 L114 L115L106-R111 HydrophobicContact CD2-CB 4Å; H108-R111 HydrophobicContact CB-CG 4.19Å; H108-R111 WeakPolarHBondContact O-CB 3.26Å; H108-R111 PolarHBondContact O-N 3.33Å; G109-R111 VanDerWaalsContact C-N 3.3Å; G109-R111 PolarHBondContact O-N 3.16Å; R111-K113 PolarHBondContact O-N 3.45Å; R111-L114 PolarHBondContact O-N 3.32Å; R111-L115 WeakPolarHBondContact O-CB 3.22Å; R111-L115 PolarHBondContact O-N 2.95Å
112M64.8Low68.4Low97 Ų9787 Ų8748%0.47850%0.5SS..Hα-helixtrans-66.2-36.2176.5-59.3-178.7-179.800112.2L106 G109 D110 L115L106-M112 HydrophobicContact CB-CE 4.24Å; L106-M112 HydrophobicContact CD1-CE 4.2Å; L106-M112 HydrophobicContact CD1-CG 4.12Å; L106-M112 HydrophobicContact CD2-CE 4Å; L106-M112 HydrophobicContact CD2-CG 3.69Å; L106-M112 HydrophobicContact CG-CE 4.35Å; G109-M112 PolarHBondContact O-N 3.13Å; D110-M112 VanDerWaalsContact C-N 3.28Å; D110-M112 PolarHBondContact O-N 3.14Å; M112-L115 WeakPolarHBondContact O-CB 3.15Å; M112-L115 PolarHBondContact O-N 3.12Å
113K72.6Confident71.1Confident122 Ų12282.4 Ų82.453%0.5347%0.468SS..Hα-helixtrans-68.5-33.8176.8-64.8170.4-171.3155.20112.8D110 R111 P117D110-K113 PolarHBondContact O-N 2.96Å; D110-K113 IonicContact OD1-NZ 3.69Å; D110-K113 PolarHBondContact OD1-NZ 3.46Å; R111-K113 PolarHBondContact O-N 3.45Å; K113-P117 WeakPolarHBondContact O-CD 3.42Å
114L78Confident73.2Confident103 Ų10380.5 Ų80.554%0.53945%0.451SS..Hα-helixtrans-76.7-28.1176-68.3167.5000112.4R111 G116 P117 V118R111-L114 PolarHBondContact O-N 3.32Å; L114-G116 PolarHBondContact O-N 3.45Å; L114-P117 WeakPolarHBondContact O-CD 3.43Å; L114-V118 WeakPolarHBondContact O-CB 3.4Å; L114-V118 VanDerWaalsContact O-CG2 3.28Å; L114-V118 WeakPolarHBondContact O-CG2 3.25Å; L114-V118 PolarHBondContact O-N 3.21Å; L114-V118 VanDerWaalsContact O-N 3.14Å
115L84.6Confident75.8Confident72 Ų7283 Ų8338%0.37745%0.446SS..Hα-helixtrans-63.8-39.9-176.3-172.261.9000112.9L106 R111 M112 V118 I119L106-L115 HydrophobicContact CD1-CD2 4.45Å; R111-L115 WeakPolarHBondContact O-CB 3.22Å; R111-L115 PolarHBondContact O-N 2.95Å; M112-L115 WeakPolarHBondContact O-CB 3.15Å; M112-L115 PolarHBondContact O-N 3.12Å; L115-V118 PolarHBondContact O-N 3.45Å; L115-I119 HydrophobicContact CD1-CD1 3.79Å; L115-I119 HydrophobicContact CD1-CG1 4.1Å; L115-I119 HydrophobicContact CD2-CD1 4.39Å; L115-I119 HydrophobicContact CG-CD1 3.72Å; L115-I119 HydrophobicContact CG-CG1 4.36Å; L115-I119 WeakPolarHBondContact O-CB 3.42Å; L115-I119 WeakPolarHBondContact O-CG1 3.5Å; L115-I119 PolarHBondContact O-N 3.26Å
116G86.6Confident77.9Confident0 Ų080.8 Ų80.80%043%0.425CS..Hα-helixtrans-57.6-59.6176.400000113L114 V118 I119 M120L114-G116 PolarHBondContact O-N 3.45Å; G116-V118 VanDerWaalsContact C-N 3.3Å; G116-V118 PolarHBondContact O-N 3.48Å; G116-I119 PolarHBondContact O-N 3.43Å; G116-M120 VanDerWaalsContact O-CB 3.27Å; G116-M120 WeakPolarHBondContact O-CB 3.49Å; G116-M120 PolarHBondContact O-N 3.25Å
117P89.3Confident79.9Confident67 Ų6779.5 Ų79.544%0.43542%0.419SS..Hα-helixtrans-56.1-36.8174.7-28.536.2000114.6K113 L114 G121K113-P117 WeakPolarHBondContact O-CD 3.42Å; L114-P117 WeakPolarHBondContact O-CD 3.43Å; P117-G121 PolarHBondContact O-N 3.32Å
118V91.5Very high82.1Confident90 Ų9077.1 Ų77.155%0.54541%0.405SS..Hα-helixtrans-67.5-48.8177.21690000111.5L114 L115 G116 M120 G121 V122L114-V118 WeakPolarHBondContact O-CB 3.4Å; L114-V118 VanDerWaalsContact O-CG2 3.28Å; L114-V118 WeakPolarHBondContact O-CG2 3.25Å; L114-V118 PolarHBondContact O-N 3.21Å; L114-V118 VanDerWaalsContact O-N 3.14Å; L115-V118 PolarHBondContact O-N 3.45Å; G116-V118 VanDerWaalsContact C-N 3.3Å; G116-V118 PolarHBondContact O-N 3.48Å; V118-M120 VanDerWaalsContact C-N 3.33Å; V118-M120 PolarHBondContact O-N 3.44Å; V118-G121 PolarHBondContact O-N 3.39Å; V118-V122 WeakPolarHBondContact O-CG2 3.38Å; V118-V122 PolarHBondContact O-N 2.84Å
119I89.9Confident84.1Confident45 Ų4573.4 Ų73.423%0.23139%0.394CS..Hα-helixtrans-64.3-40.4177.2-68.1173.3000110.7V54 L61 L115 G116 G121 V122 G123V54-I119 HydrophobicContact CG1-CG2 4.1Å; L61-I119 HydrophobicContact CD1-CD1 3.64Å; L115-I119 HydrophobicContact CD1-CD1 3.79Å; L115-I119 HydrophobicContact CD1-CG1 4.1Å; L115-I119 HydrophobicContact CD2-CD1 4.39Å; L115-I119 HydrophobicContact CG-CD1 3.72Å; L115-I119 HydrophobicContact CG-CG1 4.36Å; L115-I119 WeakPolarHBondContact O-CB 3.42Å; L115-I119 WeakPolarHBondContact O-CG1 3.5Å; L115-I119 PolarHBondContact O-N 3.26Å; G116-I119 PolarHBondContact O-N 3.43Å; I119-G121 PolarHBondContact O-N 3.41Å; I119-V122 PolarHBondContact O-N 2.88Å; I119-G123 PolarHBondContact O-N 3.37Å
120M92Very high85.5Confident67 Ų6771.4 Ų71.433%0.3337%0.372SS..Hα-helixtrans-59.9-43.9174.2-174.5-170.173.900111.6G116 V118 G123 L124G116-M120 VanDerWaalsContact O-CB 3.27Å; G116-M120 WeakPolarHBondContact O-CB 3.49Å; G116-M120 PolarHBondContact O-N 3.25Å; V118-M120 VanDerWaalsContact C-N 3.33Å; V118-M120 PolarHBondContact O-N 3.44Å; M120-G123 PolarHBondContact O-N 2.93Å; M120-L124 HydrophobicContact CE-CD1 4.39Å; M120-L124 HydrophobicContact CG-CD1 4.01Å; M120-L124 WeakPolarHBondContact O-CB 3.44Å; M120-L124 VanDerWaalsContact O-CG 3.3Å; M120-L124 WeakPolarHBondContact O-CG 3.49Å; M120-L124 PolarHBondContact O-N 2.86Å
121G93.7Very high86.7Confident36 Ų3670.4 Ų70.437%0.37137%0.367SS..Hα-helixtrans-63-43.8176.700000113.2P117 V118 I119 L124 F125P117-G121 PolarHBondContact O-N 3.32Å; V118-G121 PolarHBondContact O-N 3.39Å; I119-G121 PolarHBondContact O-N 3.41Å; G121-L124 PolarHBondContact O-N 2.82Å; G121-F125 WeakPolarHBondContact O-CB 3.32Å; G121-F125 PolarHBondContact O-N 3.12Å
122V93.1Very high87.9Confident77 Ų7766.2 Ų66.247%0.46736%0.361SS..Hα-helixtrans-64.8-42.5174.7173.40000111.3V118 I119 F125 I126V118-V122 WeakPolarHBondContact O-CG2 3.38Å; V118-V122 PolarHBondContact O-N 2.84Å; I119-V122 PolarHBondContact O-N 2.88Å; V122-F125 PolarHBondContact O-N 2.98Å; V122-I126 HydrophobicContact CG1-CD1 3.89Å; V122-I126 WeakPolarHBondContact O-CG1 3.25Å; V122-I126 PolarHBondContact O-N 2.95Å
123G93.5Very high88.8Confident0 Ų064.9 Ų64.90%036%0.358CS..Hα-helixtrans-61.3-43.8175.100000112.8I119 M120 I126 L127I119-G123 PolarHBondContact O-N 3.37Å; M120-G123 PolarHBondContact O-N 2.93Å; G123-I126 PolarHBondContact O-N 3.47Å; G123-L127 WeakPolarHBondContact O-CB 3.19Å; G123-L127 PolarHBondContact O-N 2.98Å
124L93.6Very high89.2Confident70 Ų7060.4 Ų60.437%0.36634%0.339SS..Hα-helixtrans-63.8-42.3175.8-77.9165.5000111.8V55 M120 G121 L127 I128V55-L124 HydrophobicContact CG2-CD2 4.32Å; V55-L124 HydrophobicContact CG2-CG 4.14Å; M120-L124 HydrophobicContact CE-CD1 4.39Å; M120-L124 HydrophobicContact CG-CD1 4.01Å; M120-L124 WeakPolarHBondContact O-CB 3.44Å; M120-L124 VanDerWaalsContact O-CG 3.3Å; M120-L124 WeakPolarHBondContact O-CG 3.49Å; M120-L124 PolarHBondContact O-N 2.86Å; G121-L124 PolarHBondContact O-N 2.82Å; L124-L127 PolarHBondContact O-N 2.99Å; L124-I128 WeakPolarHBondContact O-CB 3.02Å; L124-I128 VanDerWaalsContact O-CG1 3.25Å; L124-I128 WeakPolarHBondContact O-CG1 3.46Å; L124-I128 PolarHBondContact O-N 3.38Å
125F95.1Very high89Confident139 Ų13964.2 Ų64.261%0.6135%0.348SS*.Hα-helixtrans-59.6-50.7175176.9-102.7000111.5G121 V122 L127 I128 C129G121-F125 WeakPolarHBondContact O-CB 3.32Å; G121-F125 PolarHBondContact O-N 3.12Å; V122-F125 PolarHBondContact O-N 2.98Å; F125-L127 VanDerWaalsContact C-N 3.31Å; F125-L127 PolarHBondContact O-N 3.25Å; F125-I128 PolarHBondContact O-N 2.73Å; F125-C129 PolarHBondContact O-N 3.1Å; F125-C129 PolarHBondContact O-SG 2.87Å; F125-C129 VanDerWaalsContact O-SG 3.4Å
126I90.9Very high88.7Confident57 Ų5765.8 Ų65.829%0.29235%0.353SS..Hα-helixtrans-59.5-42.8176.4-67166.5000110.9V122 G123 C129 A130V122-I126 HydrophobicContact CG1-CD1 3.89Å; V122-I126 WeakPolarHBondContact O-CG1 3.25Å; V122-I126 PolarHBondContact O-N 2.95Å; G123-I126 PolarHBondContact O-N 3.47Å; I126-C129 PolarHBondContact O-N 3.05Å; I126-A130 VanDerWaalsContact O-CB 3.24Å; I126-A130 WeakPolarHBondContact O-CB 3.37Å; I126-A130 PolarHBondContact O-N 3.33Å
127L91.5Very high87.9Confident35 Ų3569.4 Ų69.418%0.18337%0.373CS..Hα-helixtrans-66.2-36.1179180145.8000112.4L48 V52 V55 G123 L124 F125 N131L48-L127 HydrophobicContact CD1-CD1 4.43Å; L48-L127 HydrophobicContact CD1-CG 4.06Å; V52-L127 HydrophobicContact CG2-CD1 3.64Å; V55-L127 HydrophobicContact CG2-CD1 4.41Å; G123-L127 WeakPolarHBondContact O-CB 3.19Å; G123-L127 PolarHBondContact O-N 2.98Å; L124-L127 PolarHBondContact O-N 2.99Å; F125-L127 VanDerWaalsContact C-N 3.31Å; F125-L127 PolarHBondContact O-N 3.25Å; L127-N131 VanDerWaalsContact CD2-ND2 3.35Å; L127-N131 WeakPolarHBondContact CD2-ND2 3.43Å; L127-N131 VanDerWaalsContact O-CB 3.28Å; L127-N131 WeakPolarHBondContact O-CB 3.26Å; L127-N131 PolarHBondContact O-N 3.41Å; L127-N131 PolarHBondContact O-ND2 3.46Å
128I92.6Very high86.9Confident99 Ų9972.6 Ų72.651%0.50838%0.376SS..Hα-helixtrans-70.4-47.6175.2-69.9164.1000110.2L124 F125 A130 N131 T132L124-I128 WeakPolarHBondContact O-CB 3.02Å; L124-I128 VanDerWaalsContact O-CG1 3.25Å; L124-I128 WeakPolarHBondContact O-CG1 3.46Å; L124-I128 PolarHBondContact O-N 3.38Å; F125-I128 PolarHBondContact O-N 2.73Å; I128-A130 VanDerWaalsContact C-N 3.34Å; I128-A130 PolarHBondContact O-N 2.63Å; I128-N131 PolarHBondContact O-N 3.49Å; I128-N131 VanDerWaalsContact O-N 3.12Å; I128-T132 PolarHBondContact O-N 3.03Å; I128-T132 PolarHBondContact O-OG1 2.92Å
129C89.7Confident85.4Confident52 Ų5271.7 Ų71.735%0.35137%0.368SS..Hα-helixtrans-62.2-38.4176.4-67.60000112.7F125 I126 T132 V133F125-C129 PolarHBondContact O-N 3.1Å; F125-C129 PolarHBondContact O-SG 2.87Å; F125-C129 VanDerWaalsContact O-SG 3.4Å; I126-C129 PolarHBondContact O-N 3.05Å; C129-T132 PolarHBondContact O-OG1 3.45Å; C129-T132 VanDerWaalsContact O-OG1 3.09Å; C129-V133 WeakPolarHBondContact O-CG2 3.32Å; C129-V133 PolarHBondContact O-N 2.94Å
130A89Confident83.9Confident8 Ų876.9 Ų76.97%0.06639%0.385CS..Hα-helixtrans-66.7-38.617300000111.7F47 L48 I126 I128 L134F47-A130 HydrophobicContact CB-CB 4.01Å; L48-A130 HydrophobicContact CB-CB 4.26Å; I126-A130 VanDerWaalsContact O-CB 3.24Å; I126-A130 WeakPolarHBondContact O-CB 3.37Å; I126-A130 PolarHBondContact O-N 3.33Å; I128-A130 VanDerWaalsContact C-N 3.34Å; I128-A130 PolarHBondContact O-N 2.63Å; A130-L134 VanDerWaalsContact O-CB 3.25Å; A130-L134 WeakPolarHBondContact O-CB 3.4Å; A130-L134 WeakPolarHBondContact O-CG 3.41Å; A130-L134 PolarHBondContact O-N 3.5Å
131N87.4Confident82.5Confident69 Ų6979.1 Ų79.137%0.36940%0.395SS..Hα-helixtrans-68.3-38.9176.8-86.1-49.9000113.2L127 I128 L134 Y135L127-N131 VanDerWaalsContact CD2-ND2 3.35Å; L127-N131 WeakPolarHBondContact CD2-ND2 3.43Å; L127-N131 VanDerWaalsContact O-CB 3.28Å; L127-N131 WeakPolarHBondContact O-CB 3.26Å; L127-N131 PolarHBondContact O-N 3.41Å; L127-N131 PolarHBondContact O-ND2 3.46Å; I128-N131 PolarHBondContact O-N 3.49Å; I128-N131 VanDerWaalsContact O-N 3.12Å; N131-L134 PolarHBondContact O-N 3.46Å; N131-Y135 VanDerWaalsContact O-CB 3.29Å; N131-Y135 WeakPolarHBondContact O-CB 3.5Å; N131-Y135 PolarHBondContact O-N 3.21Å
132T86.1Confident80.8Confident85 Ų8580.6 Ų80.652%0.52140%0.396SS..Hα-helixtrans-66.9-45176.852.80000111.4I128 C129 L134 Y135 E136I128-T132 PolarHBondContact O-N 3.03Å; I128-T132 PolarHBondContact O-OG1 2.92Å; C129-T132 PolarHBondContact O-OG1 3.45Å; C129-T132 VanDerWaalsContact O-OG1 3.09Å; T132-L134 VanDerWaalsContact C-N 3.32Å; T132-L134 PolarHBondContact O-N 3.35Å; T132-Y135 PolarHBondContact O-N 2.91Å; T132-Y135 VanDerWaalsContact O-N 3.16Å; T132-E136 PolarHBondContact O-N 3.23Å
133V84.7Confident79Confident69 Ų6981.2 Ų81.242%0.41839%0.394SS..Hα-helixtrans-64.2-36.1174.9175.50000111.6P44 C129 N137P44-V133 HydrophobicContact CB-CG1 4.08Å; C129-V133 WeakPolarHBondContact O-CG2 3.32Å; C129-V133 PolarHBondContact O-N 2.94Å; V133-N137 WeakPolarHBondContact O-CB 3.38Å; V133-N137 PolarHBondContact O-N 3.31Å; V133-N137 VanDerWaalsContact O-N 3.12Å; V133-N137 PolarHBondContact O-ND2 3.12Å
134L79.7Confident77.2Confident28 Ų2887.7 Ų87.715%0.14743%0.426CS..Hα-helixtrans-67.6-39.1171.4-85.5174000112.9P44 L48 A130 N131 T132 N137 R138P44-L134 HydrophobicContact CB-CD2 3.72Å; P44-L134 HydrophobicContact CB-CG 3.92Å; P44-L134 HydrophobicContact CG-CD2 3.82Å; L48-L134 HydrophobicContact CB-CD1 3.6Å; L48-L134 HydrophobicContact CD2-CD1 3.49Å; L48-L134 VanDerWaalsContact CD2-CD1 3.49Å; L48-L134 HydrophobicContact CG-CD1 4.09Å; A130-L134 VanDerWaalsContact O-CB 3.25Å; A130-L134 WeakPolarHBondContact O-CB 3.4Å; A130-L134 WeakPolarHBondContact O-CG 3.41Å; A130-L134 PolarHBondContact O-N 3.5Å; N131-L134 PolarHBondContact O-N 3.46Å; T132-L134 VanDerWaalsContact C-N 3.32Å; T132-L134 PolarHBondContact O-N 3.35Å; L134-N137 PolarHBondContact O-N 2.95Å; L134-R138 WeakPolarHBondContact O-CB 3.39Å; L134-R138 PolarHBondContact O-N 2.81Å
135Y74.8Confident75.6Confident183 Ų18390.1 Ų90.172%0.71844%0.439SS*.Hα-helixtrans-65.8-44.6-179.7-164.3-88.2000110.5N131 T132 R138 D139N131-Y135 VanDerWaalsContact O-CB 3.29Å; N131-Y135 WeakPolarHBondContact O-CB 3.5Å; N131-Y135 PolarHBondContact O-N 3.21Å; T132-Y135 PolarHBondContact O-N 2.91Å; T132-Y135 VanDerWaalsContact O-N 3.16Å; Y135-R138 PolarHBondContact O-N 3.16Å; Y135-D139 PolarHBondContact O-N 3.43Å
136E77.4Confident73.9Confident105 Ų10587.9 Ų87.949%0.49143%0.433SS..Hα-helixtrans-60.2-50.5173.7-167-168.6161.600111.5T132 R138 D139 R140T132-E136 PolarHBondContact O-N 3.23Å; E136-R138 VanDerWaalsContact C-N 3.31Å; E136-R138 PolarHBondContact O-N 2.83Å; E136-D139 PolarHBondContact O-N 3.46Å; E136-R140 WeakPolarHBondContact O-CG 3.28Å; E136-R140 PolarHBondContact O-N 3.09Å; E136-R140 IonicContact OE1-CZ 2.87Å; E136-R140 IonicContact OE1-NE 3.61Å; E136-R140 IonicContact OE1-NH2 3.33Å; E136-R140 PolarHBondContact OE1-NH2 2.89Å
137N70.9Confident72.5Confident77 Ų7787.1 Ų87.141%0.41244%0.435SS..Hα-helixtrans-64-35.4179.7-82.5-83.4000112.8V133 L134 R140 E141V133-N137 WeakPolarHBondContact O-CB 3.38Å; V133-N137 PolarHBondContact O-N 3.31Å; V133-N137 VanDerWaalsContact O-N 3.12Å; V133-N137 PolarHBondContact O-ND2 3.12Å; L134-N137 PolarHBondContact O-N 2.95Å; N137-R140 WeakPolarHBondContact O-CB 3.41Å; N137-R140 PolarHBondContact O-N 2.89Å; N137-E141 PolarHBondContact O-N 2.98Å; N137-E141 VanDerWaalsContact O-N 3.1Å
138R67.3Low70.9Confident134 Ų13491.2 Ų91.251%0.50645%0.453SS..Hα-helixtrans-72.9-36.8178.7-159.6-172.3-158.3110.4-1.2111.8L134 Y135 E136 E141 T142L134-R138 WeakPolarHBondContact O-CB 3.39Å; L134-R138 PolarHBondContact O-N 2.81Å; Y135-R138 PolarHBondContact O-N 3.16Å; E136-R138 VanDerWaalsContact C-N 3.31Å; E136-R138 PolarHBondContact O-N 2.83Å; R138-E141 PolarHBondContact O-N 2.9Å; R138-T142 PolarHBondContact O-N 3.09Å; R138-T142 PolarHBondContact O-OG1 2.9Å; R138-T142 VanDerWaalsContact O-OG1 3.12Å
139D60.2Low69.3Low70 Ų7092.8 Ų92.837%0.37446%0.46SS..Hα-helixtrans-63.5-43.3171.3-16853.1000110.4Y135 E136 E141 T142 Q143Y135-D139 PolarHBondContact O-N 3.43Å; E136-D139 PolarHBondContact O-N 3.46Å; D139-E141 VanDerWaalsContact C-N 3.29Å; D139-E141 PolarHBondContact O-N 3.41Å; D139-T142 WeakPolarHBondContact CA-OG1 3.29Å; D139-T142 PolarHBondContact O-N 3.02Å; D139-T142 PolarHBondContact O-OG1 3.36Å; D139-T142 VanDerWaalsContact O-OG1 3.14Å; D139-Q143 VanDerWaalsContact O-CB 3.25Å; D139-Q143 WeakPolarHBondContact O-CB 3.29Å; D139-Q143 WeakPolarHBondContact O-CG 3.35Å; D139-Q143 PolarHBondContact O-N 3.03Å; D139-Q143 VanDerWaalsContact OD2-CG 3.26Å; D139-Q143 WeakPolarHBondContact OD2-CG 3.35Å; D139-Q143 PolarHBondContact OD2-NE2 3.22Å
140R59.5Low67.9Low155 Ų15597.3 Ų97.359%0.58547%0.469SS*.Hα-helixtrans-54-43173.9-60.3-92.9-172.6171.73.5112.2E136 N137 M144E136-R140 WeakPolarHBondContact O-CG 3.28Å; E136-R140 PolarHBondContact O-N 3.09Å; E136-R140 IonicContact OE1-CZ 2.87Å; E136-R140 IonicContact OE1-NE 3.61Å; E136-R140 IonicContact OE1-NH2 3.33Å; E136-R140 PolarHBondContact OE1-NH2 2.89Å; N137-R140 WeakPolarHBondContact O-CB 3.41Å; N137-R140 PolarHBondContact O-N 2.89Å; R140-M144 VanDerWaalsContact O-CB 3.23Å; R140-M144 WeakPolarHBondContact O-CB 3.33Å; R140-M144 PolarHBondContact O-N 3.43Å
141E61.8Low66.5Low114 Ų114101.6 Ų101.653%0.53349%0.491SS..Hα-helixtrans-63.7-45174.8-72.6-177.117700112.4N137 R138 D139 L145N137-E141 PolarHBondContact O-N 2.98Å; N137-E141 VanDerWaalsContact O-N 3.1Å; R138-E141 PolarHBondContact O-N 2.9Å; D139-E141 VanDerWaalsContact C-N 3.29Å; D139-E141 PolarHBondContact O-N 3.41Å; E141-L145 WeakPolarHBondContact O-CG 3.24Å; E141-L145 PolarHBondContact O-N 3.21Å; E141-L145 VanDerWaalsContact O-N 3.13Å
142T57.5Low65.2Low66 Ų66102.1 Ų102.141%0.40550%0.497SS..Hα-helixtrans-73.2-35.517943.30000113.8R138 D139 L145 L146R138-T142 PolarHBondContact O-N 3.09Å; R138-T142 PolarHBondContact O-OG1 2.9Å; R138-T142 VanDerWaalsContact O-OG1 3.12Å; D139-T142 WeakPolarHBondContact CA-OG1 3.29Å; D139-T142 PolarHBondContact O-N 3.02Å; D139-T142 PolarHBondContact O-OG1 3.36Å; D139-T142 VanDerWaalsContact O-OG1 3.14Å; T142-L145 PolarHBondContact O-N 2.76Å; T142-L146 WeakPolarHBondContact O-CB 3.35Å; T142-L146 WeakPolarHBondContact O-CG 3.49Å; T142-L146 PolarHBondContact O-N 3.29Å
143Q55Low63.8Low91 Ų91103.5 Ų103.543%0.42550%0.5SS..Hα-helixtrans-62.1-43.6172.5-66.6-87.312.800110.3D139 L146 A147D139-Q143 VanDerWaalsContact O-CB 3.25Å; D139-Q143 WeakPolarHBondContact O-CB 3.29Å; D139-Q143 WeakPolarHBondContact O-CG 3.35Å; D139-Q143 PolarHBondContact O-N 3.03Å; D139-Q143 VanDerWaalsContact OD2-CG 3.26Å; D139-Q143 WeakPolarHBondContact OD2-CG 3.35Å; D139-Q143 PolarHBondContact OD2-NE2 3.22Å; Q143-L146 PolarHBondContact O-N 3.46Å; Q143-A147 VanDerWaalsContact O-CB 3.26Å; Q143-A147 WeakPolarHBondContact O-CB 3.45Å; Q143-A147 PolarHBondContact O-N 3.34Å
144M57Low62.1Low135 Ų135104 Ų10467%0.66551%0.505SS*.Hα-helixtrans-67.3-37.6179-164.2-178.6-5800112.2R140 A147 Q148R140-M144 VanDerWaalsContact O-CB 3.23Å; R140-M144 WeakPolarHBondContact O-CB 3.33Å; R140-M144 PolarHBondContact O-N 3.43Å; M144-A147 PolarHBondContact O-N 2.75Å; M144-Q148 PolarHBondContact O-N 3.37Å
145L59.4Low60.8Low122 Ų122106 Ų10664%0.63952%0.521SS*.Hα-helixtrans-68.2-39.1172.4-70.8170.8000112.5E141 T142 Q148 M149E141-L145 WeakPolarHBondContact O-CG 3.24Å; E141-L145 PolarHBondContact O-N 3.21Å; E141-L145 VanDerWaalsContact O-N 3.13Å; T142-L145 PolarHBondContact O-N 2.76Å; L145-Q148 PolarHBondContact O-N 3.14Å; L145-M149 WeakPolarHBondContact O-CG 3.29Å; L145-M149 PolarHBondContact O-N 3.35Å
146L60.3Low59.5Low92 Ų92102.2 Ų102.248%0.48252%0.517SS..Hα-helixtrans-69.6-34.2173.9-77169.7000112.5T142 Q143 M149 R150T142-L146 WeakPolarHBondContact O-CB 3.35Å; T142-L146 WeakPolarHBondContact O-CG 3.49Å; T142-L146 PolarHBondContact O-N 3.29Å; Q143-L146 PolarHBondContact O-N 3.46Å; L146-M149 PolarHBondContact O-N 3.33Å; L146-R150 WeakPolarHBondContact O-CB 3.37Å; L146-R150 VanDerWaalsContact O-CG 3.27Å; L146-R150 WeakPolarHBondContact O-CG 3.34Å; L146-R150 PolarHBondContact O-N 2.94Å
147A59.6Low58Low40 Ų40101.5 Ų101.533%0.33152%0.524SS..Hα-helixtrans-67.5-42.1173.300000111.3Q143 M144 R150 N151Q143-A147 VanDerWaalsContact O-CB 3.26Å; Q143-A147 WeakPolarHBondContact O-CB 3.45Å; Q143-A147 PolarHBondContact O-N 3.34Å; M144-A147 PolarHBondContact O-N 2.75Å; A147-R150 PolarHBondContact O-N 3.43Å; A147-N151 WeakPolarHBondContact O-CB 3.36Å; A147-N151 PolarHBondContact O-N 3.26Å; A147-N151 PolarHBondContact O-OD1 3.23Å
148Q58.8Low56.5Low122 Ų122102 Ų10257%0.5754%0.539SS*.Hα-helixtrans-56.7-49.7169.6-90.7-78.5-69.200111.8M144 L145 R150 N151 V152M144-Q148 PolarHBondContact O-N 3.37Å; L145-Q148 PolarHBondContact O-N 3.14Å; Q148-R150 PolarHBondContact O-N 2.9Å; Q148-N151 PolarHBondContact O-N 3Å; Q148-V152 WeakPolarHBondContact O-CG2 3.47Å; Q148-V152 PolarHBondContact O-N 3.4Å
149M58.3Low55Low131 Ų13198.8 Ų98.865%0.64554%0.541SS*.Hα-helixtrans-59.1-46.1176.7-75.4-68.5-158.200112.5L145 L146 V152 I153L145-M149 WeakPolarHBondContact O-CG 3.29Å; L145-M149 PolarHBondContact O-N 3.35Å; L146-M149 PolarHBondContact O-N 3.33Å; M149-V152 PolarHBondContact O-N 2.85Å; M149-I153 WeakPolarHBondContact O-CD1 3.33Å; M149-I153 VanDerWaalsContact O-CG1 3.29Å; M149-I153 WeakPolarHBondContact O-CG1 3.43Å; M149-I153 PolarHBondContact O-N 3.48Å; M149-I153 VanDerWaalsContact O-N 3.09Å
150R61.5Low54Low147 Ų147101.1 Ų101.156%0.55556%0.558SS**Hα-helixtrans-60.5-46.1176-75.4168.6177.6151.5-2111.6L146 A147 Q148 V152 I153 C154L146-R150 WeakPolarHBondContact O-CB 3.37Å; L146-R150 VanDerWaalsContact O-CG 3.27Å; L146-R150 WeakPolarHBondContact O-CG 3.34Å; L146-R150 PolarHBondContact O-N 2.94Å; A147-R150 PolarHBondContact O-N 3.43Å; Q148-R150 PolarHBondContact O-N 2.9Å; R150-V152 VanDerWaalsContact C-N 3.34Å; R150-V152 PolarHBondContact O-N 3.42Å; R150-I153 PolarHBondContact O-N 2.87Å; R150-C154 PolarHBondContact O-N 2.88Å; R150-C154 PolarHBondContact O-SG 3.49Å
151N58.4Low52.8Low99 Ų9999.4 Ų99.453%0.52957%0.567SS.*Hα-helixtrans-64.5-37-179.3-71.44.9000112.2A147 Q148 C154 S155A147-N151 WeakPolarHBondContact O-CB 3.36Å; A147-N151 PolarHBondContact O-N 3.26Å; A147-N151 PolarHBondContact O-OD1 3.23Å; Q148-N151 PolarHBondContact O-N 3Å; N151-C154 PolarHBondContact O-N 2.81Å; N151-S155 WeakPolarHBondContact O-CB 3.25Å; N151-S155 PolarHBondContact O-N 3.44Å; N151-S155 PolarHBondContact O-OG 3.38Å
152V60Low51.9Low79 Ų7999.1 Ų99.148%0.47958%0.577SS.*Hα-helixtrans-65.9-41.4173.8171.50000111.6Q148 M149 R150 S155 V156Q148-V152 WeakPolarHBondContact O-CG2 3.47Å; Q148-V152 PolarHBondContact O-N 3.4Å; M149-V152 PolarHBondContact O-N 2.85Å; R150-V152 VanDerWaalsContact C-N 3.34Å; R150-V152 PolarHBondContact O-N 3.42Å; V152-S155 WeakPolarHBondContact CA-OG 3.35Å; V152-S155 PolarHBondContact O-N 2.86Å; V152-S155 PolarHBondContact O-OG 3.48Å; V152-V156 WeakPolarHBondContact O-CG2 3.45Å; V152-V156 PolarHBondContact O-N 3.39Å; V152-V156 VanDerWaalsContact O-N 3.07Å
153I57.9Low50.8Low114 Ų114100.6 Ų100.659%0.58560%0.596SS**Hα-helixtrans-63.7-42.2175.3-66.3162.8000110.5M149 R150 S157M149-I153 WeakPolarHBondContact O-CD1 3.33Å; M149-I153 VanDerWaalsContact O-CG1 3.29Å; M149-I153 WeakPolarHBondContact O-CG1 3.43Å; M149-I153 PolarHBondContact O-N 3.48Å; M149-I153 VanDerWaalsContact O-N 3.09Å; R150-I153 PolarHBondContact O-N 2.87Å; I153-S157 WeakPolarHBondContact O-CB 3.46Å; I153-S157 PolarHBondContact O-N 2.98Å; I153-S157 PolarHBondContact O-OG 2.94Å
154C48.6Very low49.8Very low79 Ų7999.8 Ų99.853%0.53461%0.612SS.*Hα-helixtrans-68-40.7176.8-670000112.6R150 N151 V156 S157 A158R150-C154 PolarHBondContact O-N 2.88Å; R150-C154 PolarHBondContact O-SG 3.49Å; N151-C154 PolarHBondContact O-N 2.81Å; C154-V156 VanDerWaalsContact C-N 3.33Å; C154-V156 PolarHBondContact O-N 3.33Å; C154-S157 WeakPolarHBondContact O-CB 3.21Å; C154-S157 PolarHBondContact O-N 3.35Å; C154-S157 VanDerWaalsContact O-N 3.14Å; C154-A158 PolarHBondContact O-N 2.94Å
155S51.9Low48.5Very low70 Ų70100.7 Ų100.749%0.4962%0.619SS.*Hα-helixtrans-67.1-33.4178.162.10000112.8N151 V152 A159N151-S155 WeakPolarHBondContact O-CB 3.25Å; N151-S155 PolarHBondContact O-N 3.44Å; N151-S155 PolarHBondContact O-OG 3.38Å; V152-S155 WeakPolarHBondContact CA-OG 3.35Å; V152-S155 PolarHBondContact O-N 2.86Å; V152-S155 PolarHBondContact O-OG 3.48Å; S155-A159 PolarHBondContact O-N 2.86Å
156V48.1Very low47.8Very low104 Ų104106.2 Ų106.263%0.6363%0.631SS**Hα-helixtrans-71.6-33.3172.2172.90000111.2V152 C154 A158 A159V152-V156 WeakPolarHBondContact O-CG2 3.45Å; V152-V156 PolarHBondContact O-N 3.39Å; V152-V156 VanDerWaalsContact O-N 3.07Å; C154-V156 VanDerWaalsContact C-N 3.33Å; C154-V156 PolarHBondContact O-N 3.33Å; V156-A158 VanDerWaalsContact C-N 3.32Å; V156-A158 PolarHBondContact O-N 3.23Å; V156-A159 PolarHBondContact O-N 3.4Å
157S45.5Very low46.7Very low90 Ų90107.4 Ų107.463%0.62964%0.638SS**Hα-helixtrans-71.3-23.6176.2-56.90000113.8I153 C154I153-S157 WeakPolarHBondContact O-CB 3.46Å; I153-S157 PolarHBondContact O-N 2.98Å; I153-S157 PolarHBondContact O-OG 2.94Å; C154-S157 WeakPolarHBondContact O-CB 3.21Å; C154-S157 PolarHBondContact O-N 3.35Å; C154-S157 VanDerWaalsContact O-N 3.14Å
158A40.5Very low45.8Very low88 Ų88112.9 Ų112.973%0.72766%0.661SS**Hα-helixtrans-86.2-16.6175.800000113.6C154 V156 V160C154-A158 PolarHBondContact O-N 2.94Å; V156-A158 VanDerWaalsContact C-N 3.32Å; V156-A158 PolarHBondContact O-N 3.23Å; A158-V160 PolarHBondContact O-N 3.23Å
159A34.1Very low44.8Very low66 Ų66112 Ų11255%0.54568%0.675SS.*  trans-94.671.2-173.700000112.3S155 V156 P161S155-A159 PolarHBondContact O-N 2.86Å; V156-A159 PolarHBondContact O-N 3.4Å; A159-P161 WeakPolarHBondContact O-CD 3.46Å
160V39.3Very low43.9Very low120 Ų120112.8 Ų112.873%0.72769%0.686SS**  trans-106.586.8165.4-1770000110.8A158 S162A158-V160 PolarHBondContact O-N 3.23Å; V160-S162 VanDerWaalsContact C-N 3.33Å; V160-S162 PolarHBondContact O-N 2.97Å
161P34.6Very low42.9Very low119 Ų119109.2 Ų109.277%0.77369%0.688SS**  trans-66.693.6155-1832.2000109.4A159A159-P161 WeakPolarHBondContact O-CD 3.46Å
162S43.2Very low42Very low108 Ų108111 Ų11176%0.75570%0.698SS**  trans-64.6133.9163.2-173.60000109.2V160V160-S162 VanDerWaalsContact C-N 3.33Å; V160-S162 PolarHBondContact O-N 2.97Å
163A35.5Very low40.8Very low97 Ų97113 Ų11380%0.80272%0.715SS**SBendtrans59.8109.3-179.200000116.6
164G33.6Very low39.9Very low74 Ų74115.7 Ų115.776%0.76373%0.727SS**  trans-179.796.417000000115.6
165L29.2Very low39.4Very low154 Ų154116.7 Ų116.781%0.80673%0.732SS**  trans63.3151.3163.8-14867.5000117.7D167L165-D167 HydrophobicContact CD2-CB 4.33Å; L165-D167 HydrophobicContact CG-CB 4.3Å
166R44.6Very low38.6Very low237 Ų237123.1 Ų123.189%0.89475%0.751SS**SBendtrans-108.85.4-178-70.3-174.6169.3-161.1-3.8113.7
167D37.4Very low37.9Very low117 Ų117126 Ų12663%0.62676%0.757SS**  trans-117.880.6-161-59.8-71.3000113.1L165L165-D167 HydrophobicContact CD2-CB 4.33Å; L165-D167 HydrophobicContact CG-CB 4.3Å
168L41.1Very low37.4Very low155 Ų155131.4 Ų131.481%0.81277%0.765SS**  trans-154.821.2152.6-139.476.9000114.3V170L168-V170 PolarHBondContact O-N 3.21Å
169A36.9Very low37.2Very low104 Ų104134.9 Ų134.986%0.8677%0.766SS**THydrogen-bonded Turntrans-73.125.9-169.600000115.8
170V40.5Very low37Very low147 Ų147142.1 Ų142.189%0.89178%0.78SS**THydrogen-bonded Turntrans-115.9-16.9-172.8-176.70000112.7L168L168-V170 PolarHBondContact O-N 3.21Å
171A39.2Very low37Very low72 Ų72142.8 Ų142.860%0.59578%0.783SS**SBendtrans-12353.5-166.200000115.4
172N39.6Very low37.3Very low136 Ų136142 Ų14273%0.72778%0.781SS**  trans-174.7120.1148.6-107.4-60.1000112.7
173S35.4Very low37.3Very low122 Ų122141 Ų14185%0.85377%0.774SS**SBendtrans-10817.7-178.355.70000114.7
174M38Very low37.7Very low170 Ų170141.6 Ų141.684%0.83776%0.763SS**SBendtrans-125.38.1-167.6-91-70.2-176.700116.7
175T39.8Very low38.1Very low101 Ų101143.3 Ų143.362%0.6276%0.761SS**  trans-113.212.7-170.536.10000116H177T175-H177 VanDerWaalsContact C-N 3.27Å; T175-H177 PolarHBondContact O-N 3.03Å
176K34.5Very low39Very low205 Ų205140.2 Ų140.289%0.89176%0.757SS**THydrogen-bonded Turntrans-69.22-170.1-90.1-171173.8-176.80118.1
177H34.3Very low38.9Very low165 Ų165133.1 Ų133.176%0.76475%0.749SS**THydrogen-bonded Turntrans-109.81.5-165.7-139.5-57.3000117.5T175T175-H177 VanDerWaalsContact C-N 3.27Å; T175-H177 PolarHBondContact O-N 3.03Å
178Y35Very low38.9Very low202 Ų202132.6 Ų132.679%0.79274%0.743SS**SBendtrans-128.12-175.3-63.4-70.8000115.7W180Y178-W180 VanDerWaalsContact C-N 3.33Å; Y178-W180 PolarHBondContact O-N 3.44Å
179Q34.7Very low39.3Very low162 Ų162130.5 Ų130.576%0.75773%0.732SS**THydrogen-bonded Turntrans-79.1-4.3-167.6-160.9170.13.700115.5
180W31.4Very low39.6Very low218 Ų218131.8 Ų131.883%0.82672%0.724SS**THydrogen-bonded Turntrans-98.3-3.3-170.6-148.280.7000115.5Y178Y178-W180 VanDerWaalsContact C-N 3.33Å; Y178-W180 PolarHBondContact O-N 3.44Å
181V38.8Very low39.9Very low133 Ų133130 Ų13081%0.80671%0.709SS**SBendtrans-103.9-4.6-174.7-168.30000112.6
182S40.2Very low39.9Very low103 Ų103131.6 Ų131.672%0.7271%0.705SS**SBendtrans-93.18.4-175.750.40000115.2
183S43.2Very low40.1Very low88 Ų88129.1 Ų129.162%0.61570%0.698SS**SBendtrans-127.241.4-171.567.90000115
184L44.8Very low40.3Very low108 Ų108129.6 Ų129.657%0.56569%0.69SS**SBendtrans-132.5137.3162.8-78.195.2000110.9
185P42.1Very low40.3Very low111 Ų111127.8 Ų127.872%0.72168%0.679SS**  trans-59.6138.2174.7-25.235.3000113A187 H188P185-A187 PolarHBondContact O-N 3.39Å; P185-H188 PolarHBondContact O-N 3.35Å
186A48.2Very low40Very low88 Ų88130.6 Ų130.673%0.72769%0.685SS**G310 helixtrans-59.6-18.2-166.400000116.1H188A186-H188 VanDerWaalsContact C-N 3.3Å; A186-H188 PolarHBondContact O-N 3.23Å
187A42.4Very low40.1Very low88 Ų88127.7 Ų127.773%0.72768%0.679SS**G310 helixtrans-62.4-30.9-179.900000114P185 L189P185-A187 PolarHBondContact O-N 3.39Å; A187-L189 PolarHBondContact O-N 2.91Å
188H37.6Very low40.1Very low106 Ų106123.6 Ų123.649%0.49167%0.674SS.*G310 helixtrans-82.7-13.2-169.9-153.6-80.4000114.5P185 A186P185-H188 PolarHBondContact O-N 3.35Å; A186-H188 VanDerWaalsContact C-N 3.3Å; A186-H188 PolarHBondContact O-N 3.23Å
189L48.4Very low40Very low111 Ų111119.1 Ų119.158%0.58167%0.67SS**Hα-helixtrans-77.3-26.4-176.4-64.5179000113.3A187 I191A187-L189 PolarHBondContact O-N 2.91Å; L189-I191 VanDerWaalsContact C-N 3.3Å; L189-I191 PolarHBondContact O-N 2.83Å
190N43.1Very low39.7Very low131 Ų131117 Ų11770%0.70167%0.674SS**Hα-helixtrans-71.6-25.2-176.9-150.314.7000112.7
191I46.9Very low39.5Very low110 Ų110115.8 Ų115.856%0.56468%0.677SS**Hα-helixtrans-79.8-45.6-177.2-59176.6000111.2L189 C193 L194 Q195L189-I191 VanDerWaalsContact C-N 3.3Å; L189-I191 PolarHBondContact O-N 2.83Å; I191-C193 VanDerWaalsContact C-N 3.3Å; I191-C193 PolarHBondContact O-N 3.2Å; I191-L194 PolarHBondContact O-N 3.29Å; I191-Q195 PolarHBondContact O-N 2.93Å
192M40.2Very low39.5Very low106 Ų106115.3 Ų115.352%0.52268%0.677SS.*Hα-helixtrans-67.3-28.8-176.3-61.4-158.6-57.500113.4L194 Q195 Q196M192-L194 VanDerWaalsContact C-N 3.27Å; M192-L194 PolarHBondContact O-N 3.28Å; M192-Q195 PolarHBondContact O-N 2.83Å; M192-Q196 PolarHBondContact O-N 3.49Å; M192-Q196 VanDerWaalsContact O-N 3.14Å
193C42.3Very low38.8Very low84 Ų84118.4 Ų118.457%0.56868%0.684SS**Hα-helixtrans-63.2-32.4-179.7-161.10000112.8I191I191-C193 VanDerWaalsContact C-N 3.3Å; I191-C193 PolarHBondContact O-N 3.2Å
194L39.9Very low38.1Very low132 Ų132121.8 Ų121.869%0.69170%0.695SS**Hα-helixtrans-80.5-38.1175.9-65.1175.4000112.1I191 M192 Q196 L197I191-L194 PolarHBondContact O-N 3.29Å; M192-L194 VanDerWaalsContact C-N 3.27Å; M192-L194 PolarHBondContact O-N 3.28Å; L194-Q196 VanDerWaalsContact C-N 3.28Å; L194-Q196 PolarHBondContact O-N 3.45Å; L194-L197 PolarHBondContact O-N 3.48Å
195Q38.5Very low37.2Very low132 Ų132125.3 Ų125.362%0.61771%0.708SS**Hα-helixtrans-59.7-39.2177.7-162.272.925.600111.9I191 M192 L197 A198I191-Q195 PolarHBondContact O-N 2.93Å; M192-Q195 PolarHBondContact O-N 2.83Å; Q195-L197 PolarHBondContact O-N 2.86Å; Q195-A198 PolarHBondContact O-N 3.26Å
196Q34.1Very low36.5Very low160 Ų160125.6 Ų125.675%0.74871%0.708SS**THydrogen-bonded Turntrans-67.2-16.8-176.5-151.671.917.500114.1M192 L194M192-Q196 PolarHBondContact O-N 3.49Å; M192-Q196 VanDerWaalsContact O-N 3.14Å; L194-Q196 VanDerWaalsContact C-N 3.28Å; L194-Q196 PolarHBondContact O-N 3.45Å
197L37Very low35.4Very low144 Ų144127.6 Ų127.675%0.75471%0.712SS**THydrogen-bonded Turntrans-94.7-9.2-179.7-72.6167.1000113.6L194 Q195L194-L197 PolarHBondContact O-N 3.48Å; Q195-L197 PolarHBondContact O-N 2.86Å
198A33.8Very low34.6Very low79 Ų79132.6 Ų132.665%0.65371%0.713SS**SBendtrans-93.1-10.1-175.300000114.5Q195Q195-A198 PolarHBondContact O-N 3.26Å
199C31.5Very low34.1Very low107 Ų107135 Ų13572%0.72373%0.728SS**  trans-132.782.2-172-69.40000112.6
200S30.1Very low33.3Very low118 Ų118139.6 Ų139.683%0.82574%0.738SS**  trans-144.978.4167.969.70000112.6
201E27.4Very low32.5Very low192 Ų192140.4 Ų140.490%0.89774%0.742SS**  trans-119.3136161.4-166.7162.8-148.600108.5
202P37.5Very low31.7Very low123 Ų123143.4 Ų143.480%0.79975%0.751SS**  trans-96.5134.3-16035-33.2000113.8
203L25.6Very low31.2Very low168 Ų168146 Ų14688%0.8876%0.761SS**  trans-113.2130.7161.8-15478.5000110.7
204L27.8Very low30.6Very low160 Ų160145.2 Ų145.284%0.83877%0.768SS**  trans-86131.3175.8-69.7164.7000110.2
205Q27.3Very low29.9Very low181 Ų181144.3 Ų144.385%0.84677%0.773SS**  trans-144.1142.3153.3-154.37135.900109.6
206T26.8Very low29.4Very low118 Ų118143.8 Ų143.872%0.72478%0.778SS**  trans-111.3157.5-175.759.90000111.4
207T26.2Very low29.2Very low130 Ų130144.6 Ų144.680%0.79878%0.782SS**  trans168.7107.4152.6-76.10000105.6
208Y24.8Very low28.8Very low192 Ų192141 Ų14175%0.75378%0.779SS**  68.395.359.8-152-73.9000113.1
209I27.8Very low28.5Very low158 Ų158144.2 Ų144.281%0.8179%0.785SS**  trans-85.3143.1172.9-62.5174.4000109
210R29.9Very low28.3Very low207 Ų207148.8 Ų148.878%0.78179%0.788SS**  trans-136.9142.7169-175.9-176-66-177.91109.4
211D27.7Very low28.3Very low147 Ų147150 Ų15079%0.78678%0.781SS**  trans-76.3-175.6-179.8-57.9-81000114.5
212K29Very low28.3Very low173 Ų173147.7 Ų147.775%0.75277%0.77SS**  trans-52.4170.8176.2-46.9168.3121.1-150.80112.9
213E31.4Very low27.8Very low160 Ų160148.5 Ų148.575%0.74877%0.772SS**  cis-163159.420.9-156.7141.9-127.700111.8
214G27.8Very low28Very low69 Ų69147.2 Ų147.271%0.71177%0.767SS**  trans119.4130.3148.100000120.5
215S25.8Very low28.2Very low112 Ų112147.8 Ų147.878%0.78377%0.77SS**  trans87.8108.3138.6-157.40000122.8
216V29Very low28.5Very low122 Ų122148 Ų14874%0.73977%0.768SS**  trans82.1127.3134.4171.70000121.8
217E28.2Very low28.6Very low176 Ų176148.1 Ų148.182%0.82277%0.769SS**  trans31.2144.5155.4-101.559.9-161.700125.6
218G29.2Very low28.9Very low68 Ų68150.5 Ų150.570%0.70177%0.771SS**  trans121.493.6160.900000114.1
219I28.7Very low29.2Very low148 Ų148145.6 Ų145.676%0.75977%0.769SS**  77.5102.473.2-64.6176.1000114.3
220Y26.2Very low29.3Very low202 Ų202145.4 Ų145.479%0.79277%0.769SS**  trans64.9156.1156.6-73-135.4000116.2
221Q30.3Very low29.3Very low145 Ų145140.3 Ų140.368%0.67876%0.761SS**  cis-150.1145-9.3-128.5179.2-36.100111.1
222Q27.6Very low29.3Very low143 Ų143140.1 Ų140.167%0.66876%0.755SS**  4.9133.3129.1-175.2-17917.800120.1
223T27.4Very low29.4Very low139 Ų139139.6 Ų139.685%0.85376%0.755SS**  -165.8128.7119.126.60000112.4
224D29.6Very low29.2Very low142 Ų142140 Ų14076%0.75976%0.755SS**  trans-71.3160.2158.1-58.3-93.7000111.2
225L32.5Very low29.1Very low172 Ų172144.3 Ų144.390%0.90176%0.756SS**  trans-157.9140.3140.5-112.7163.9000111.2
226K31.9Very low29.2Very low186 Ų186144.2 Ų144.281%0.80976%0.756SS**  trans-147.6112.2-171.2174.9-155.1169.9-164.50110
227T30.7Very low29.1Very low120 Ų120146.6 Ų146.674%0.73676%0.759SS**  trans-149.9121.7169.8-29.90000105.2
228E31Very low29.8Very low180 Ų180143.2 Ų143.284%0.84175%0.752SS**  73.3154.450-156.7156-121.200112.8
229A32.3Very low29.9Very low88 Ų88145.6 Ų145.673%0.72775%0.753SS**  trans-131.1-173.6-135.800000115.7
230L29.2Very low30.3Very low154 Ų154144.5 Ų144.581%0.80676%0.755SS**  trans100.3132.6151-131.283.6000120.1
231T29.4Very low30.4Very low100 Ų100140 Ų14061%0.61375%0.753SS**  trans92.3134.4137.422.10000126.2
232H28.9Very low31.5Very low143 Ų143138.6 Ų138.666%0.66276%0.757SS**  trans95.394.9137.1-75.3-49.7000124.9
233H30Very low32.1Very low163 Ų163137.5 Ų137.576%0.75576%0.762SS**  72.7161123.8-69.7-154000118.5
234K26.6Very low32Very low168 Ų168136 Ų13673%0.7376%0.757SS**  cis-169.8141.842-172.4171180-175.90114.5
235E26.1Very low32Very low159 Ų159136.4 Ų136.474%0.74377%0.765SS**  trans41.1162.9153.1-79159.378.100123.1
236S29.3Very low31.7Very low111 Ų111135.4 Ų135.478%0.77676%0.76SS**  cis-159.2172.3-0.238.80000112.4
237E26.7Very low31.3Very low172 Ų172131.7 Ų131.780%0.80476%0.756SS**  trans-116.5-176170.1-122.4-150.9-177.800110.5
238P41.4Very low31.3Very low104 Ų104134.8 Ų134.868%0.67576%0.759SS**  cis-138.8174.86.542.9-23.5000118.8
239V31.3Very low31Very low118 Ų118131.2 Ų131.272%0.71575%0.754SS**  trans18.2141.1138.9175.80000120.4
240P37.2Very low31Very low126 Ų126131.7 Ų131.782%0.81875%0.751SS**  cis-143.4-165.334.529.5-2.1000118.8
241S29.6Very low31.2Very low106 Ų106131.3 Ų131.374%0.74175%0.75SS**  trans-109.4-171.8179.265.70000113.1
242P53.1Low31Very low116 Ų116135.1 Ų135.175%0.75376%0.76SS**  cis-118.1-105.9-4.829.9-5.1000113.2
243P38.9Very low31.2Very low121 Ų121133.5 Ų133.579%0.78676%0.764SS**  cis-125.3-146.9442.3-22000116.3
244S26.6Very low31.1Very low107 Ų107134.3 Ų134.375%0.74877%0.768SS**  trans-113.7-179.1-156.855.30000118.4
245T28.4Very low31.1Very low150 Ų150131.5 Ų131.592%0.9277%0.765SS**  trans-150.1159.8155.6-29.40000111.2
246L28.1Very low31.1Very low152 Ų152130.5 Ų130.580%0.79677%0.765SS**  trans-162.4134-165.2170.465.1000115.3
247C23.3Very low31Very low108 Ų108130 Ų13073%0.7376%0.761SS**  trans-177160.2157.3-102.40000112.5
248K30Very low31Very low184 Ų184129.2 Ų129.280%0.876%0.762SS**  cis-174.6155.2-35.1-104.4176.4-163.1178.30105.8
249S25.4Very low30.4Very low105 Ų105128.7 Ų128.773%0.73476%0.761SS**  -180163.658.2-160.10000112.9
250C31.5Very low30.5Very low99 Ų99131.9 Ų131.967%0.66977%0.768SS**  trans-12.9164.4157.4-58.30000122.2
251D33Very low30.2Very low145 Ų145132.7 Ų132.778%0.77577%0.771SS**  cis-172.9171.4-15.6-97.2-31.6000112.5
252H26.3Very low30.1Very low180 Ų180130.9 Ų130.983%0.83377%0.769SS**  trans78.9163.3155.8-137.9-88.2000122
253C31.3Very low29Very low109 Ų109134.2 Ų134.274%0.73677%0.774SS**  trans-126.2170.7-169.2-58.20000114.7
254Q28.5Very low28.6Very low181 Ų181136.4 Ų136.485%0.84677%0.774SS**  trans101.1147.5144.3-140.2-170.9600120.5
255V27.8Very low28.7Very low108 Ų108136.8 Ų136.866%0.65577%0.767SS**  trans82.3101.6160.2-169.40000120.5
256D24.3Very low28.5Very low139 Ų139139.4 Ų139.474%0.74376%0.761SS**  49.6127.3127.5-52.6-10.6000125.9
257S27.6Very low28.5Very low100 Ų100135.7 Ų135.770%0.69975%0.747SS**  70.6127127.8-62.50000124.2
258N27.2Very low28.7Very low156 Ų156139.6 Ų139.683%0.83475%0.752SS**  trans70.5153.8140.8-70.7-15.1000119.1
259S29.1Very low28.4Very low93 Ų93138.7 Ų138.765%0.6575%0.75SS**  cis-164.3154.4-6.439.90000113.6
260Q32.4Very low28.5Very low185 Ų185137.9 Ų137.986%0.86474%0.743SS**  trans55.4115.4143.6-70.5176.4-8.600122.7
261T31.9Very low28.3Very low142 Ų142141.6 Ų141.687%0.87175%0.749SS**  -130156.5110.448.10000106.8
262G26.6Very low27.8Very low68 Ų68139.4 Ų139.470%0.70174%0.744SS**  cis104.3113.17.800000111.2
263E31.4Very low27.8Very low186 Ų186138.8 Ų138.887%0.86975%0.746SS**  cis-137.2-173.7-11.6-69.5-15976.500107.4
264E30.1Very low27.5Very low168 Ų168142.1 Ų142.179%0.78575%0.751SS**  cis-123.9169.517.2-93-167.395.900111
265L28.7Very low27.5Very low115 Ų115140.4 Ų140.460%0.60275%0.753SS**  cis92.493.932.4-163.575.6000115.8
266W24.8Very low27.5Very low205 Ų205139.1 Ų139.178%0.77775%0.754SS**  -179.2109.4107.7-168.6-93.4000114.2
267S27.5Very low28.9Very low74 Ų74137.7 Ų137.752%0.51775%0.752SS.*  trans60.1144.9153.8-62.70000121.3
268K26.8Very low28.9Very low189 Ų189139.8 Ų139.882%0.82276%0.755SS**  cis-155.5143.4-3.2-116160.8-165.7175.20112.7
269H24.6Very low28.9Very low165 Ų165139 Ų13976%0.76475%0.75SS**  trans-57.7173.7166.6-92.9-137.8000114.8
270C26.9Very low28.7Very low88 Ų88142.5 Ų142.560%0.59575%0.754SS**  cis174.2-172.7-20.5-1740000108
271F27.1Very low28.5Very low178 Ų178140.1 Ų140.178%0.78175%0.746SS**  trans81.5143.1160.7-61.1-62.5000117.8
272S23.2Very low28.3Very low98 Ų98139.2 Ų139.269%0.68574%0.736SS**  cis-157.2174.71.754.50000114.9
273L26.8Very low28.3Very low167 Ų167145 Ų14587%0.87474%0.742SS**  trans92.9145.9149.2-112.171.2000121.6
274Q24.8Very low28Very low179 Ų179141.5 Ų141.584%0.83674%0.737SS**  trans-104.5164.6179.5-58.8168.4-25.300110.8
275T27.2Very low27.9Very low145 Ų145140.4 Ų140.489%0.8974%0.736SS**  trans-177160.6133.9-75.50000109.3
276A29.7Very low27.8Very low82 Ų82141.8 Ų141.868%0.67875%0.749SS**  trans-138.9-163.4-178.900000109.8
277P52.7Low27.8Very low108 Ų108137 Ų13770%0.70175%0.746SS**  cis-136.4-162.3-23.422.74.2000113.1
278L28.1Very low27.9Very low144 Ų144137.9 Ų137.975%0.75476%0.758SS**  trans98125.9146.8-59.7177.6000124.3
279L27Very low28Very low139 Ų139134.7 Ų134.773%0.72876%0.759SS**  71.9108.9128.3-66.7171.9000125.5
280K24Very low28.1Very low168 Ų168132.5 Ų132.573%0.7376%0.763SS**  80.2100.4103.3-163.7175.6177.4-1800122.9
281L29.2Very low28.3Very low134 Ų134137.3 Ų137.370%0.70278%0.779SS**  trans67137.3130.5-64177.6000124.8
282N27.6Very low28.3Very low123 Ų123134.4 Ų134.466%0.65878%0.781SS**  trans81.7139.6135.3-72-7000123.9
283F25.4Very low28.6Very low189 Ų189137 Ų13783%0.82979%0.787SS**  trans6.4143.7142.3-60.7-94.5000118.4
284C26.5Very low28.8Very low114 Ų114137.5 Ų137.577%0.7779%0.789SS**  -168.6-177.664.1-148.40000116.5
285L28.1Very low28.9Very low145 Ų145137.6 Ų137.676%0.75979%0.787SS**  trans-27.8157168-75.8159.5000119.9
286V26.3Very low29Very low144 Ų144137.3 Ų137.387%0.87378%0.78SS**  -156.8152.2122.3129.90000111.4
287S25.1Very low29.1Very low103 Ų103141.3 Ų141.372%0.7278%0.784SS**  trans-112.8159.3-178.3-49.60000112.1
288A28.9Very low28Very low93 Ų93145 Ų14577%0.76979%0.792SS**  trans-169.9129.9141.200000115.3
289S28Very low28.3Very low122 Ų122143.7 Ų143.785%0.85379%0.79SS**  trans11.9141.9139.1-47.50000122.8
290S27.3Very low28.5Very low120 Ų120143.1 Ų143.184%0.83979%0.787SS**  -167.1166.596.7-158.60000113
291M31.7Very low29Very low188 Ų188143.7 Ų143.793%0.92679%0.79SS**  trans-138.6153175.7-80.2-172164.800111.3
292S26.7Very low29.2Very low117 Ų117143.3 Ų143.382%0.81880%0.796SS**  trans-152.1162.4163.460.10000111.6
293N29.5Very low29.6Very low154 Ų154142.3 Ų142.382%0.82481%0.805SS**  trans-107.1158.5-164.2-51.1-84.9000112.7
294L30.3Very low30Very low176 Ų176138.1 Ų138.192%0.92181%0.805SS**  -170.1-166.6117.8-101165.4000112.3
295K27.1Very low30.3Very low182 Ų182141.6 Ų141.679%0.79181%0.81SS**  trans-137.3156-142.5177.5-172.7174.5-172.10113.7
296L29.6Very low30.5Very low139 Ų139143.8 Ų143.873%0.72882%0.816SS**  trans104.9160.5158.2-15061.7000116.5
297E31.5Very low30.8Very low165 Ų165147.8 Ų147.877%0.77182%0.815SS**  trans-37.7157.8-176.4-70.8163.3117.700116.4
298E30.1Very low31Very low187 Ų187154.1 Ų154.187%0.87482%0.823SS**  cis-147.8-151.545.6-148.9176.516100114.4
299V35.1Very low31Very low115 Ų115155.7 Ų155.770%0.69783%0.827SS**  trans-111.5144.5-151.3170.80000114.9
300D30Very low31.3Very low127 Ų127158.5 Ų158.568%0.67983%0.827SS**  trans70.8134.8157.6-77.6-5.1000125.1
301F34.1Very low31.6Very low180 Ų180157.6 Ų157.679%0.78982%0.82SS**  trans32.5102.9153.6-53.1-61.3000122.3
302P33.6Very low31.6Very low127 Ų127155.6 Ų155.683%0.82581%0.811SS**  trans-86.6118.8161.932.9-31.5000113.1A304P302-A304 PolarHBondContact O-N 3.28Å
303A36.8Very low32.2Very low102 Ų102154.5 Ų154.584%0.84380%0.803SS**  trans-77.4100.1169.900000111.4Q305A303-Q305 PolarHBondContact O-N 2.87Å
304A33.5Very low32.4Very low101 Ų101156.9 Ų156.984%0.83580%0.802SS**  trans-78.5112.3-173.300000113.6P302P302-A304 PolarHBondContact O-N 3.28Å
305Q33Very low32.7Very low187 Ų187159.4 Ų159.487%0.87480%0.799SS**PPolyproline II helixtrans-68.2137.3169-68.1-179.2-28.100111.6A303 R307A303-Q305 PolarHBondContact O-N 2.87Å; Q305-R307 PolarHBondContact O-N 3.47Å
306H31.5Very low33.4Very low190 Ų190157.4 Ų157.488%0.8880%0.802SS**PPolyproline II helixtrans-70.3128.8-177.8-166.2-76.3000112.3
307R32.8Very low33.9Very low228 Ų228160.1 Ų160.186%0.8681%0.808SS**PPolyproline II helixtrans-71.3151.2-178.7-77.4-173.1175.7-175.90.4113.3Q305Q305-R307 PolarHBondContact O-N 3.47Å
308R30.9Very low34.2Very low236 Ų236158.1 Ų158.189%0.89181%0.81SS**PPolyproline II helixtrans-83.6140.4168169.6-161.9-96.8174.1-7.5109.8
309C27.5Very low34.4Very low126 Ų126159.5 Ų159.585%0.85181%0.808SS**  trans-159.3152145.3-113.40000112.5
310Q34.3Very low34.5Very low181 Ų181163 Ų16385%0.84681%0.814SS**  trans-97-178.9165.1-60158.2-33.700106.9
311S34.1Very low34.6Very low101 Ų101160.8 Ų160.871%0.70681%0.813SS**  cis-162.716112.9-172.50000108.7
312M32.1Very low34.5Very low147 Ų147160.9 Ų160.972%0.72482%0.816SS**  trans-161.4148.8142.8-105.6-53-74.700110Y314M312-Y314 HydrophobicContact CE-CD1 4.32Å; M312-Y314 HydrophobicContact CE-CE1 3.61Å
313S38Very low34.4Very low93 Ų93162.1 Ų162.165%0.6581%0.814SS**  trans-138.2141.1-16960.60000114
314Y34.6Very low34.3Very low204 Ų204160.7 Ų160.780%0.881%0.809SS**  trans-139148.2165.8-27.1-76.4000111.5M312M312-Y314 HydrophobicContact CE-CD1 4.32Å; M312-Y314 HydrophobicContact CE-CE1 3.61Å
315R37.2Very low34.2Very low229 Ų229163.1 Ų163.186%0.86481%0.808SS**  trans-55.8146.1-170.2-56.7164.9174.4177.8-2.2115.8
316T41.2Very low33.9Very low140 Ų140161.5 Ų161.586%0.85980%0.8SS**  -135152.8111.850.70000109.6
317K40.2Very low33.6Very low196 Ų196162 Ų16285%0.85280%0.8SS**  trans-112.4128.2174.3-72.6-174.8177.6-175.70109.5
318P38.7Very low33.6Very low124 Ų124157.9 Ų157.981%0.80579%0.79SS**  trans-84.7130.1159.732.3-29.7000110.2
319Y32.8Very low33.6Very low215 Ų215155.6 Ų155.684%0.84379%0.787SS**  trans-85127.8171.6-178.5-94.6000109.5A321Y319-A321 HydrophobicContact CD1-CB 4.43Å; Y319-A321 HydrophobicContact CE1-CB 4.26Å
320K38Very low33.6Very low190 Ų190157.8 Ų157.883%0.82678%0.784SS**  trans-86.9107.3172.2-76.3-172.1176.8-176.40109.6
321A31.8Very low33.4Very low79 Ų79154.7 Ų154.765%0.65377%0.773SS**  trans-88.3119.9158.700000108.5Y319Y319-A321 HydrophobicContact CD1-CB 4.43Å; Y319-A321 HydrophobicContact CE1-CB 4.26Å
322Q33.1Very low33.1Very low182 Ų182158.8 Ų158.885%0.8578%0.778SS**  trans-11388.5-176.5-175.2172.9-3.300109.6G324Q322-G324 PolarHBondContact O-N 3.32Å
323I31.3Very low33.2Very low153 Ų153157.3 Ų157.379%0.78578%0.78SS**  trans-9099.8173.3-61.8175.2000107.8
324G33.1Very low32.6Very low72 Ų72158.1 Ų158.174%0.74279%0.785SS**  trans-83.5119.8165.300000109.6Q322Q322-G324 PolarHBondContact O-N 3.32Å
325L31.7Very low32.4Very low153 Ų153158 Ų15880%0.80179%0.788SS**  trans-115.7119.7161.9-90170.3000109.1F327L325-F327 PolarHBondContact O-N 3.32Å
326H26.1Very low32.1Very low152 Ų152156.4 Ų156.470%0.70479%0.788SS**  trans-75.9105.6-178.6-174.5-108000109.2E328H326-E328 IonicContact CE1-OE2 3.23Å; H326-E328 PolarHBondContact CE1-OE2 3.38Å; H326-E328 VanDerWaalsContact CE1-OE2 3.23Å; H326-E328 IonicContact ND1-OE2 3.49Å; H326-E328 PolarHBondContact ND1-OE2 2.88Å; H326-E328 PolarHBondContact O-N 2.87Å
327F27.1Very low31.4Very low202 Ų202157.4 Ų157.489%0.88679%0.788SS**  trans-90.693.6168.7-114.6-79000109.4L325L325-F327 PolarHBondContact O-N 3.32Å
328E31.8Very low31Very low141 Ų141155.1 Ų155.166%0.65978%0.783SS**  trans-70.9152.7177.3-159.2161.2159.700111.4H326H326-E328 IonicContact CE1-OE2 3.23Å; H326-E328 PolarHBondContact CE1-OE2 3.38Å; H326-E328 VanDerWaalsContact CE1-OE2 3.23Å; H326-E328 IonicContact ND1-OE2 3.49Å; H326-E328 PolarHBondContact ND1-OE2 2.88Å; H326-E328 PolarHBondContact O-N 2.87Å
329K31.6Very low30.6Very low187 Ų187157.7 Ų157.781%0.81378%0.784SS**  trans-114.160.9-162.9-165.5-175.7178.1-176.90111.6
330E27.6Very low30.5Very low172 Ų172152.9 Ų152.980%0.80478%0.778SS**  trans-64.8149.9173.6-85.3-75.585.900112.1
331L29.1Very low30.1Very low116 Ų116151.2 Ų151.261%0.60778%0.778SS**  trans-132173.1-168.7-145.173.5000111.3
332F28.8Very low29.9Very low187 Ų187155.2 Ų155.282%0.8278%0.783SS**  trans82.8156.6170.3-63.2-62.3000118.1
333P34.2Very low29.7Very low117 Ų117154.7 Ų154.776%0.7679%0.785SS**  trans-121.8169.2-136.843.2-34000115.4
334C25Very low29.6Very low110 Ų110154.7 Ų154.774%0.74378%0.782SS**  trans-118.4111.9162.8-1650000111.2
335K29.9Very low29.4Very low201 Ų201158.7 Ų158.787%0.87478%0.784SS**  trans-69.5128.5161.4-71.6177.3176.8176.70108.5
336K30.4Very low29.2Very low196 Ų196157.8 Ų157.885%0.85278%0.78SS**  trans-129.3150.8150.9-76.1-164.4176.3-179.50110.4
337N28Very low29.5Very low161 Ų161160 Ų16086%0.86179%0.788SS**  trans-89.9160.2-153-138.5-12.5000112.8Q339N337-Q339 PolarHBondContact O-N 3.48Å
338I31.4Very low29.6Very low148 Ų148160 Ų16076%0.75979%0.788SS**  trans-67.3130165.8-63.1164000107.9
339Q29.9Very low29.8Very low178 Ų178162.1 Ų162.183%0.83280%0.797SS**  trans-144.1104.1150.6-161.2163.116.700110.8N337N337-Q339 PolarHBondContact O-N 3.48Å
340T31.3Very low29.8Very low114 Ų114160.9 Ų160.970%0.69980%0.798SS**  trans-69.5142.2165.7480000110.4
341N28.7Very low30Very low154 Ų154158 Ų15882%0.82480%0.797SS**  trans-153.5141.5144.1-100.6-32.9000110.4
342Q28.7Very low30.2Very low164 Ų164158.1 Ų158.177%0.76681%0.807SS**  trans-89.5148.4176.3-79.4-144.968.200111.4
343L27.2Very low30.6Very low170 Ų170158.8 Ų158.889%0.8981%0.813SS**  trans-150.6113145.7-163.663.4000110.5
344Q29Very low30.3Very low154 Ų154156.5 Ų156.572%0.7281%0.811SS**  trans-84.9152.5161.8-65.7-178.5-2000109.3
345I30.2Very low30.5Very low156 Ų156157.3 Ų157.380%0.882%0.816SS**  trans-177.4134131.8-96.7155.1000112.3
346N28Very low30.4Very low133 Ų133153.9 Ų153.971%0.71181%0.812SS**  trans36.3107.8160.3-72.8-46000123.2
347K31.1Very low30.1Very low198 Ų198155.3 Ų155.386%0.86181%0.812SS**  44.8103.896.6-171.9-175.6-177.4177.20118.1
348K29.1Very low30.6Very low204 Ų204155.1 Ų155.189%0.88781%0.81SS**  trans-150.9153131.8-148.1168.8-175.6177.90111.9
349E35.9Very low30.7Very low184 Ų184153.2 Ų153.286%0.8681%0.807SS**  trans-111.2126.1-172.2171.9-177.2-158.700110.1
350I32.2Very low30.8Very low161 Ų161151.3 Ų151.383%0.82681%0.807SS**  trans-147.2133.3166.7-55.5-178.5000108.2
351S31.4Very low30.8Very low112 Ų112154.1 Ų154.178%0.78381%0.812SS**  trans-91.4140.517761.40000113.2
352S33.7Very low30.8Very low118 Ų118151.4 Ų151.483%0.82580%0.801SS**  trans-156.7152.5153.8610000112.3
353Q38.2Very low31Very low201 Ų201150.4 Ų150.494%0.93981%0.806SS**  trans-77.8138168.2-68.4176-1900109.8
354G27.7Very low31Very low70 Ų70149 Ų14972%0.72280%0.8SS**  trans-134.295.3176.300000112.3
355C28.2Very low31.1Very low126 Ų126146.2 Ų146.285%0.85180%0.803SS**  trans-86.4107.1171.2177.80000109.8
356V28.8Very low31.2Very low130 Ų130147.8 Ų147.879%0.78881%0.807SS**PPolyproline II helixtrans-94.2123.8176-179.10000109.9
357R24.2Very low31.5Very low225 Ų225148.9 Ų148.985%0.84981%0.808SS**PPolyproline II helixtrans-89.7144.6165.5-56.6-174.6-162.6173.87.9109
358I38.7Very low31.6Very low158 Ų158147.3 Ų147.381%0.8181%0.809SS**PPolyproline II helixtrans-85.6133168.7-58.4175.2000108
359P32.3Very low32Very low107 Ų107144.3 Ų144.370%0.69580%0.798SS**PPolyproline II helixtrans-70157.7174.4-17.431.6000112.9
360V33.3Very low31.9Very low139 Ų139142.2 Ų142.284%0.84280%0.798SS**  trans-135.7113.9163.5176.20000107.5
361E29.3Very low32Very low173 Ų173137.8 Ų137.881%0.80879%0.793SS**  trans-122.1110.4168.3-86.6-179.3119.100105.6
362T29.8Very low32.5Very low97 Ų97136.6 Ų136.660%0.59580%0.798SS**  74.4113.382.956.20000114
363T32.3Very low32.8Very low142 Ų142136.4 Ų136.487%0.87180%0.796SS**  trans-134.5136.4149.151.10000106.4
364D27.9Very low33.1Very low140 Ų140138.2 Ų138.275%0.74980%0.795SS**  trans-100.5164.6-150.9-51.9-88.8000115.7
365A31.4Very low33.7Very low96 Ų96140.5 Ų140.579%0.79380%0.797SS**  trans66.7152.9157.500000118
366E31.3Very low34.3Very low190 Ų190144.7 Ų144.789%0.88880%0.795SS**  cis-115.3156.5-0.1-71177.2123.300111.7
367E35.4Very low35Very low156 Ų156146.2 Ų146.273%0.72980%0.797SS**  trans-77.6143.3155.9-69.6-168.3142.100109Q369E367-Q369 PolarHBondContact OE2-NE2 3.01Å
368D31.7Very low35.6Very low164 Ų164142.4 Ų142.488%0.87779%0.789SS**  trans-131.6139.8142.6-160-1.2000109.5
369Q39.2Very low36.2Very low142 Ų142143.1 Ų143.166%0.66479%0.794SS**  trans-109.9114.3-159.7-61.7-179.313.700111.1E367E367-Q369 PolarHBondContact OE2-NE2 3.01Å
370T33.9Very low36.8Very low139 Ų139141.5 Ų141.585%0.85380%0.796SS**  trans-143.5126.3156.5-49.10000110.8
371G33Very low37.3Very low69 Ų69139.5 Ų139.571%0.71179%0.789SS**  trans-67.3147.817800000112.5
372G42.2Very low38.2Very low87 Ų87135 Ų13590%0.89779%0.789SS**  trans-67.5138.4-17700000113.7
373S39.5Very low39.2Very low113 Ų113141.8 Ų141.879%0.7980%0.804SS**  trans-113.5131.5155.658.10000108.7
374W44.3Very low40.2Very low240 Ų240145.8 Ų145.891%0.90980%0.803SS**  trans-70.5141169.2-74.782.9000108.7R376W374-R376 PolarHBondContact O-N 3.07Å
375P40Very low41.1Very low117 Ų117148.7 Ų148.776%0.7681%0.805SS**  trans-60.4112.3174.225.3-33.1000108.9L377P375-L377 PolarHBondContact O-N 3.46Å
376R42.4Very low41.9Very low214 Ų214151.4 Ų151.481%0.80881%0.805SS**  trans-64.2125.4179.7-174.5176.7-71.1-159.2-1.5108.4W374 E378W374-R376 PolarHBondContact O-N 3.07Å; R376-E378 VanDerWaalsContact C-N 3.34Å; R376-E378 PolarHBondContact O-N 2.91Å
377L42Very low42.8Very low162 Ų162151.4 Ų151.485%0.84880%0.802SS**  trans-69.692.5174.1-87.7160.8000109.2P375 L379P375-L377 PolarHBondContact O-N 3.46Å; L377-L379 WeakPolarHBondContact O-CD1 3.09Å; L377-L379 PolarHBondContact O-N 3.4Å
378E38.3Very low43.4Very low145 Ų145149.6 Ų149.668%0.67880%0.797SS**  trans-62130170.2-73.9-57.3138.900110.5R376 G380R376-E378 VanDerWaalsContact C-N 3.34Å; R376-E378 PolarHBondContact O-N 2.91Å; E378-G380 PolarHBondContact O-N 3Å
379L50.5Low44.3Very low174 Ų174147.3 Ų147.391%0.91178%0.781SS**  trans-7639.4176.1-85.869.9000111.6L377L377-L379 WeakPolarHBondContact O-CD1 3.09Å; L377-L379 PolarHBondContact O-N 3.4Å
380G44.2Very low44.8Very low72 Ų72146.3 Ų146.374%0.74278%0.78SS**THydrogen-bonded Turntrans-95.416.8-166.200000116.5E378E378-G380 PolarHBondContact O-N 3Å
381S44.8Very low45.8Very low97 Ų97147.3 Ų147.368%0.67877%0.773SS**THydrogen-bonded Turntrans-144.726.5-176.5650000116.3R383S381-R383 PolarHBondContact O-N 3.24Å
382G47.2Very low47Very low80 Ų80149.6 Ų149.683%0.82577%0.765SS**  trans-66.637.517800000117
383R52.3Low47.6Very low238 Ų238150 Ų15090%0.89875%0.747SS**SBendtrans-143.855.8178.6-65.6-166.7-174.9-150.83.5113.2S381S381-R383 PolarHBondContact O-N 3.24Å
384R52.6Low48.6Very low226 Ų226147.8 Ų147.885%0.85373%0.731SS**SBendtrans-153.99.7165.9-125.2-179.8-62.7-127.95118.4
385Y47Very low49.8Very low201 Ų201140.4 Ų140.479%0.78871%0.713SS**  trans-103.9-2.5-179.8-68.1-74.3000115.1K387Y385-K387 PolarHBondContact O-N 2.9Å
386L47.8Very low51.1Low153 Ų153139.4 Ų139.480%0.80170%0.701SS**THydrogen-bonded Turntrans-77.855.4177.8-162.181.1000112.2
387K50.8Low52.4Low190 Ų190136.4 Ų136.483%0.82669%0.693SS**THydrogen-bonded Turntrans-157.327.1-179.9-136.5170.6-173175.80115.8Y385Y385-K387 PolarHBondContact O-N 2.9Å
388L46.7Very low53.7Low118 Ų118133.9 Ų133.962%0.61868%0.68SS**SBendtrans-112.7-32.2172.2-84.9160.6000113.3N390 K391L388-N390 PolarHBondContact O-N 2.89Å; L388-K391 PolarHBondContact O-N 2.99Å
389E52Low55.4Low116 Ų116131.7 Ų131.754%0.54267%0.673SS.*G310 helixtrans-51.2-31.5176.2-75.1162.3113.800113.8K391 E392 D393E389-K391 PolarHBondContact O-N 3.04Å; E389-E392 WeakPolarHBondContact CA-OE1 3.33Å; E389-E392 WeakPolarHBondContact O-CG 3.21Å; E389-E392 PolarHBondContact O-N 2.73Å; E389-D393 PolarHBondContact O-N 3.22Å
390N48.9Very low56.6Low122 Ų122128.4 Ų128.465%0.65266%0.656SS**G310 helixtrans-67.4-4.3179.6-153.8-117.8000114.6L388 D393L388-N390 PolarHBondContact O-N 2.89Å; N390-D393 PolarHBondContact ND2-OD2 2.78Å
391K55.8Low58Low160 Ų160131.1 Ų131.170%0.69665%0.65SS**G310 helixtrans-93.2-28.5169.6-80.6-165.4169-1680114L388 E389 S394 V395L388-K391 PolarHBondContact O-N 2.99Å; E389-K391 PolarHBondContact O-N 3.04Å; K391-S394 PolarHBondContact O-N 2.79Å; K391-V395 PolarHBondContact O-N 3.29Å
392E58.1Low59.4Low116 Ų116131.9 Ų131.954%0.54265%0.645SS.*THydrogen-bonded Turntrans-75.8-43175.935.2-149.4130.800109.7E389 S394 V395 D396E389-E392 WeakPolarHBondContact CA-OE1 3.33Å; E389-E392 WeakPolarHBondContact O-CG 3.21Å; E389-E392 PolarHBondContact O-N 2.73Å; E392-S394 PolarHBondContact O-N 2.84Å; E392-V395 PolarHBondContact O-N 3.06Å; E392-D396 PolarHBondContact O-N 2.86Å; E392-D396 VanDerWaalsContact O-N 3.09Å
393D55Low60.8Low96 Ų96134.8 Ų134.851%0.51364%0.637SS.*Hα-helixtrans-46.2-38.5165.2-67.7-33.5000113.1E389 N390 K397E389-D393 PolarHBondContact O-N 3.22Å; N390-D393 PolarHBondContact ND2-OD2 2.78Å; D393-K397 VanDerWaalsContact O-CB 3.29Å; D393-K397 WeakPolarHBondContact O-CB 3.46Å; D393-K397 PolarHBondContact O-N 3.38Å
394S60.7Low61.7Low67 Ų67130.2 Ų130.247%0.46963%0.626SS.*Hα-helixtrans-81.5-16.5-177-174.30000113.7K391 E392 L398K391-S394 PolarHBondContact O-N 2.79Å; E392-S394 PolarHBondContact O-N 2.84Å; S394-L398 WeakPolarHBondContact O-CD1 3.37Å; S394-L398 WeakPolarHBondContact O-CG 3.3Å
395V68.4Low62.4Low85 Ų85124.4 Ų124.452%0.51561%0.608SS.*Hα-helixtrans-87.3-44.6174.1170.30000109.6K391 E392 K397 L398 L399K391-V395 PolarHBondContact O-N 3.29Å; E392-V395 PolarHBondContact O-N 3.06Å; V395-K397 VanDerWaalsContact C-N 3.32Å; V395-K397 PolarHBondContact O-N 3.36Å; V395-L398 WeakPolarHBondContact O-CA 3.27Å; V395-L398 WeakPolarHBondContact O-CB 3.33Å; V395-L398 PolarHBondContact O-N 3.49Å; V395-L399 HydrophobicContact CG1-CD1 4.32Å; V395-L399 PolarHBondContact O-N 3.5Å
396D67.5Low62.9Low95 Ų95118.2 Ų118.251%0.50859%0.594SS.*Hα-helixtrans-62.9-40.6178.5-64-24.1000111E392 L398 L399 D400E392-D396 PolarHBondContact O-N 2.86Å; E392-D396 VanDerWaalsContact O-N 3.09Å; D396-L398 PolarHBondContact O-N 3.35Å; D396-L399 WeakPolarHBondContact O-CA 3.41Å; D396-L399 WeakPolarHBondContact O-CB 3.49Å; D396-L399 PolarHBondContact O-N 3.39Å; D396-D400 PolarHBondContact O-N 2.99Å
397K69.7Low63.4Low151 Ų151113 Ų11366%0.65757%0.57SS**Hα-helixtrans-65.1-23.7173.8-167.1168.7-173.2172.20114.3D393 V395 Q401D393-K397 VanDerWaalsContact O-CB 3.29Å; D393-K397 WeakPolarHBondContact O-CB 3.46Å; D393-K397 PolarHBondContact O-N 3.38Å; V395-K397 VanDerWaalsContact C-N 3.32Å; V395-K397 PolarHBondContact O-N 3.36Å; K397-Q401 WeakPolarHBondContact O-CB 3.45Å; K397-Q401 PolarHBondContact O-N 2.9Å
398L69.4Low63.4Low109 Ų109111.1 Ų111.157%0.57156%0.559SS**Hα-helixtrans-81.9-29.3171.9-74.7171.3000111.9S394 V395 D396 L402S394-L398 WeakPolarHBondContact O-CD1 3.37Å; S394-L398 WeakPolarHBondContact O-CG 3.3Å; V395-L398 WeakPolarHBondContact O-CA 3.27Å; V395-L398 WeakPolarHBondContact O-CB 3.33Å; V395-L398 PolarHBondContact O-N 3.49Å; D396-L398 PolarHBondContact O-N 3.35Å; L398-L402 WeakPolarHBondContact O-CB 3.36Å; L398-L402 PolarHBondContact O-N 2.87Å
399L73.6Confident63.6Low99 Ų99112.3 Ų112.352%0.51856%0.555SS.*Hα-helixtrans-66.4-50.7171.1-84.5157.7000111.2V395 D396 Q401 L402 E403V395-L399 HydrophobicContact CG1-CD1 4.32Å; V395-L399 PolarHBondContact O-N 3.5Å; D396-L399 WeakPolarHBondContact O-CA 3.41Å; D396-L399 WeakPolarHBondContact O-CB 3.49Å; D396-L399 PolarHBondContact O-N 3.39Å; L399-Q401 VanDerWaalsContact C-N 3.26Å; L399-Q401 PolarHBondContact O-N 3.35Å; L399-L402 WeakPolarHBondContact O-CA 3.49Å; L399-L402 WeakPolarHBondContact O-CB 3.47Å; L399-L402 PolarHBondContact O-N 3.43Å; L399-E403 PolarHBondContact O-N 3.07Å
400D76.1Confident63.6Low106 Ų106113.1 Ų113.157%0.56756%0.564SS**Hα-helixtrans-53-44.4173.8-83.22.1000111.7D396 L402 E403 H404D396-D400 PolarHBondContact O-N 2.99Å; D400-L402 VanDerWaalsContact C-N 3.31Å; D400-L402 PolarHBondContact O-N 3.48Å; D400-E403 PolarHBondContact O-N 2.79Å; D400-H404 WeakPolarHBondContact O-CB 3.5Å; D400-H404 PolarHBondContact O-CD2 3.14Å; D400-H404 PolarHBondContact O-N 3.11Å
401Q74.2Confident63.9Low129 Ų129115.2 Ų115.260%0.60357%0.567SS**Hα-helixtrans-69.6-27.8-180-171.1171.1-18.500112.6K397 L399 Q405K397-Q401 WeakPolarHBondContact O-CB 3.45Å; K397-Q401 PolarHBondContact O-N 2.9Å; L399-Q401 VanDerWaalsContact C-N 3.26Å; L399-Q401 PolarHBondContact O-N 3.35Å; Q401-Q405 WeakPolarHBondContact O-CG 3.29Å; Q401-Q405 PolarHBondContact O-N 3.26Å
402L74.4Confident63.8Low112 Ų112110.9 Ų110.959%0.58656%0.557SS**Hα-helixtrans-75.8-41.9173.5-164.574.4000111.5L398 L399 D400 Q405 C406L398-L402 WeakPolarHBondContact O-CB 3.36Å; L398-L402 PolarHBondContact O-N 2.87Å; L399-L402 WeakPolarHBondContact O-CA 3.49Å; L399-L402 WeakPolarHBondContact O-CB 3.47Å; L399-L402 PolarHBondContact O-N 3.43Å; D400-L402 VanDerWaalsContact C-N 3.31Å; D400-L402 PolarHBondContact O-N 3.48Å; L402-Q405 WeakPolarHBondContact O-CB 3.44Å; L402-Q405 PolarHBondContact O-N 3.35Å; L402-Q405 VanDerWaalsContact O-N 3.1Å; L402-C406 PolarHBondContact O-N 2.75Å; L402-C406 PolarHBondContact O-SG 3.32Å
403E76.1Confident63.5Low141 Ų141113.3 Ų113.366%0.65957%0.566SS**Hα-helixtrans-66.7-38.3177.5-172.7165.1-179.100111.8L399 D400 Q405 C406 S407L399-E403 PolarHBondContact O-N 3.07Å; D400-E403 PolarHBondContact O-N 2.79Å; E403-Q405 VanDerWaalsContact C-N 3.3Å; E403-Q405 PolarHBondContact O-N 3.11Å; E403-C406 PolarHBondContact O-N 3.22Å; E403-S407 WeakPolarHBondContact O-CB 3.11Å; E403-S407 PolarHBondContact O-N 2.93Å; E403-S407 PolarHBondContact O-OG 2.88Å
404H71.8Confident63.3Low143 Ų143111.9 Ų111.966%0.66257%0.573SS**Hα-helixtrans-65.4-27.7169.7-90.1-61.7000113.9D400D400-H404 WeakPolarHBondContact O-CB 3.5Å; D400-H404 PolarHBondContact O-CD2 3.14Å; D400-H404 PolarHBondContact O-N 3.11Å
405Q66.7Low63Low103 Ų103114.1 Ų114.148%0.48159%0.589SS.*Hα-helixtrans-72.7-51.5169.9-79.2-71.7-66.800111.1Q401 L402 E403 S407 Y408 W409Q401-Q405 WeakPolarHBondContact O-CG 3.29Å; Q401-Q405 PolarHBondContact O-N 3.26Å; L402-Q405 WeakPolarHBondContact O-CB 3.44Å; L402-Q405 PolarHBondContact O-N 3.35Å; L402-Q405 VanDerWaalsContact O-N 3.1Å; E403-Q405 VanDerWaalsContact C-N 3.3Å; E403-Q405 PolarHBondContact O-N 3.11Å; Q405-S407 VanDerWaalsContact C-N 3.33Å; Q405-S407 PolarHBondContact O-N 3.49Å; Q405-Y408 WeakPolarHBondContact O-CB 3.44Å; Q405-Y408 PolarHBondContact O-N 2.83Å; Q405-W409 PolarHBondContact O-N 2.99Å; Q405-W409 VanDerWaalsContact O-N 3.13Å
406C56.6Low62.2Low71 Ų71113.2 Ų113.248%0.4860%0.597SS.*Hα-helixtrans-56.6-45.5-179.7-69.10000112.3L402 E403 Y408 W409 D410L402-C406 PolarHBondContact O-N 2.75Å; L402-C406 PolarHBondContact O-SG 3.32Å; E403-C406 PolarHBondContact O-N 3.22Å; C406-Y408 PolarHBondContact O-N 3.34Å; C406-W409 PolarHBondContact O-N 2.98Å; C406-W409 VanDerWaalsContact O-N 3.15Å; C406-D410 PolarHBondContact O-N 3.48Å; C406-D410 VanDerWaalsContact O-N 3.07Å
407S58.4Low61.8Low45 Ų45114.4 Ų114.432%0.31561%0.61SS.*Hα-helixtrans-71.8-8.5178.361.10000115.2E403 Q405 K411E403-S407 WeakPolarHBondContact O-CB 3.11Å; E403-S407 PolarHBondContact O-N 2.93Å; E403-S407 PolarHBondContact O-OG 2.88Å; Q405-S407 VanDerWaalsContact C-N 3.33Å; Q405-S407 PolarHBondContact O-N 3.49Å; S407-K411 WeakPolarHBondContact O-CD 3.28Å
408Y51.5Low60.9Low150 Ų150116.9 Ų116.959%0.58862%0.621SS**Hα-helixtrans-84.2-46.8165.7-179.2-99.8000110.8Q405 C406 D410 K411 S412Q405-Y408 WeakPolarHBondContact O-CB 3.44Å; Q405-Y408 PolarHBondContact O-N 2.83Å; C406-Y408 PolarHBondContact O-N 3.34Å; Y408-D410 PolarHBondContact O-N 2.82Å; Y408-K411 PolarHBondContact O-N 3.5Å; Y408-K411 VanDerWaalsContact O-N 3.15Å; Y408-S412 PolarHBondContact O-N 3.32Å; Y408-S412 PolarHBondContact O-OG 3.3Å
409W50.5Low59.7Low142 Ų142124.7 Ų124.754%0.53866%0.655SS.*Hα-helixtrans-61-43179.1-72.9104.7000113.1Q405 C406 K411 S412 F413Q405-W409 PolarHBondContact O-N 2.99Å; Q405-W409 VanDerWaalsContact O-N 3.13Å; C406-W409 PolarHBondContact O-N 2.98Å; C406-W409 VanDerWaalsContact O-N 3.15Å; W409-K411 PolarHBondContact O-N 3.41Å; W409-K411 VanDerWaalsContact O-N 3.17Å; W409-S412 PolarHBondContact O-N 3.44Å; W409-F413 HydrophobicContact CE3-CE2 4.14Å; W409-F413 VanDerWaalsContact O-CD2 3.31Å; W409-F413 WeakPolarHBondContact O-CD2 3.48Å
410D52.7Low59Low134 Ų134126 Ų12672%0.71766%0.661SS**Hα-helixtrans-58.5-29.2176.5-85.5-26.4000113.1C406 Y408C406-D410 PolarHBondContact O-N 3.48Å; C406-D410 VanDerWaalsContact O-N 3.07Å; Y408-D410 PolarHBondContact O-N 2.82Å
411K55.3Low58.1Low165 Ų165127.1 Ų127.172%0.71767%0.666SS**Hα-helixtrans-82-17.7178.6-68.8172.6-174.3159.90113.2S407 Y408 W409S407-K411 WeakPolarHBondContact O-CD 3.28Å; Y408-K411 PolarHBondContact O-N 3.5Å; Y408-K411 VanDerWaalsContact O-N 3.15Å; W409-K411 PolarHBondContact O-N 3.41Å; W409-K411 VanDerWaalsContact O-N 3.17Å
412S52.2Low57.2Low69 Ų69126.9 Ų126.948%0.48367%0.67SS.*Hα-helixtrans-83.2-19.1179.9-63.40000114.1Y408 W409Y408-S412 PolarHBondContact O-N 3.32Å; Y408-S412 PolarHBondContact O-OG 3.3Å; W409-S412 PolarHBondContact O-N 3.44Å
413F52.5Low56.1Low168 Ų168127.8 Ų127.874%0.73768%0.675SS**SBendtrans-96.6-2.7179.6-67.2-72000114.5W409 S415W409-F413 HydrophobicContact CE3-CE2 4.14Å; W409-F413 VanDerWaalsContact O-CD2 3.31Å; W409-F413 WeakPolarHBondContact O-CD2 3.48Å; F413-S415 PolarHBondContact O-N 3.23Å
414G51.9Low54.9Low65 Ų65127 Ų12767%0.6768%0.676SS**SBendtrans-83.3-0-170.600000117.7
415S54.5Low53.8Low115 Ų115125.9 Ų125.980%0.80468%0.677SS**  trans-129.766.2-169.1-62.80000113.7F413F413-S415 PolarHBondContact O-N 3.23Å
416G50Low52.8Low65 Ų65127.6 Ų127.667%0.6769%0.691SS**  trans-87.2130.3166.600000111.6F418G416-F418 PolarHBondContact O-N 3.49Å
417P58.9Low52.6Low120 Ų120131.9 Ų131.978%0.77971%0.707SS**  trans-84.773.9-172.134.5-36.7000112.9
418F50.6Low52.1Low204 Ų204139.2 Ų139.290%0.89574%0.739SS**  trans-14472.4172.8-81-70.3000113.6G416G416-F418 PolarHBondContact O-N 3.49Å
419Q44.1Very low52.1Low273 Ų273138.2 Ų138.2100%1.27675%0.753SS**  trans-154.70143.9-132.9170.416.200111.2

Retrieved 419 of 419 residues in 69.7 ms (Link to these results)