A0A087YJH7_POEFO Loading...

Eukaryotic translation initiation factor 4E nuclear import factor 1

AlphaFold DB , UniProt , Accession A0A087YJH7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 936 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M32.7Very low32.9Very low227 Ų227162.2 Ų162.2100%1.11882%0.824SS**  093.50-63.9162.2-179.300104.4
2E34.2Very low32.6Very low158 Ų158160.3 Ų160.374%0.73882%0.818SS**  60.6132.766.4-62.9-167.791.900111.9
3K35.2Very low32.5Very low175 Ų175163.6 Ų163.676%0.76183%0.828SS**  cis-151.21649.2-133-174.4-172.985.70110.9
4D37.4Very low32.5Very low155 Ų155160.9 Ų160.983%0.82982%0.824SS**  trans-80.1175176.8-66.9-80.4000114.7
5A37.8Very low32.5Very low93 Ų93156.1 Ų156.177%0.76982%0.817SS**  trans74.3125172.700000116
6S29.3Very low32.8Very low115 Ų115155.2 Ų155.280%0.80482%0.82SS**  cis98.6100.932-70.70000113.1
7E35.9Very low32.7Very low190 Ų190153.7 Ų153.789%0.88881%0.813SS**  trans-160.1104.1143.8-120.9169.6-145.500113.7
8Q29.5Very low32.9Very low178 Ų178154.5 Ų154.583%0.83281%0.811SS**  trans37.3102130.7-158.8160.144.800120.2
9Q32.3Very low33Very low200 Ų200151.7 Ų151.794%0.93580%0.803SS**  trans-121163.3144-123.41798.200110.6
10K29.4Very low33.2Very low176 Ų176153.9 Ų153.977%0.76581%0.805SS**  trans-142.4157.9-149.2-165.4-159.8168.3-173.40111.8
11N27.8Very low33.4Very low117 Ų117157.3 Ų157.363%0.62681%0.808SS**  trans83.593.8175.5-52.2-10.1000114.7
12D29.7Very low33.4Very low140 Ų140156 Ų15675%0.74980%0.796SS**  37106.8116.2-48.1-43.1000117.7T14D12-T14 VanDerWaalsContact C-N 3.31Å; D12-T14 PolarHBondContact O-N 3Å; D12-T14 PolarHBondContact O-OG1 3.46Å
13E31.8Very low33.9Very low203 Ų203158.2 Ų158.295%0.94981%0.806SS**  trans-68.187161.2-174.6177-178.900109.3A15E13-A15 PolarHBondContact O-N 3.18Å
14T32Very low34.4Very low126 Ų126153.1 Ų153.177%0.77380%0.803SS**  trans-72.6118.9-177.5-16.40000110.7D12 V16D12-T14 VanDerWaalsContact C-N 3.31Å; D12-T14 PolarHBondContact O-N 3Å; D12-T14 PolarHBondContact O-OG1 3.46Å; T14-V16 PolarHBondContact O-N 2.88Å
15A32.4Very low34.5Very low88 Ų88149.8 Ų149.873%0.72780%0.797SS**  trans-54137.2172.600000111E13 D17E13-A15 PolarHBondContact O-N 3.18Å; A15-D17 PolarHBondContact O-N 2.98Å
16V36.8Very low35.3Very low142 Ų142152.1 Ų152.186%0.86180%0.802SS**  trans-6899.3175.4179.60000108.4T14 Q18T14-V16 PolarHBondContact O-N 2.88Å; V16-Q18 PolarHBondContact O-N 2.68Å; V16-Q18 VanDerWaalsContact O-N 3.15Å
17D31.4Very low36.6Very low130 Ų130149.8 Ų149.870%0.69579%0.789SS**  trans-58.1115.2176.4-177.338.9000109.8A15 P19A15-D17 PolarHBondContact O-N 2.98Å; D17-P19 VanDerWaalsContact O-CD 3.23Å; D17-P19 WeakPolarHBondContact O-CD 3.4Å
18Q36.1Very low38.1Very low168 Ų168146.6 Ų146.679%0.78579%0.786SS**  trans-77.5110.8161.3-81.7-144.345.400107.2V16 K20V16-Q18 PolarHBondContact O-N 2.68Å; V16-Q18 VanDerWaalsContact O-N 3.15Å; Q18-K20 PolarHBondContact O-N 3.27Å
19P36.4Very low40.5Very low101 Ų101146.2 Ų146.266%0.65678%0.781SS**  trans-65.7100.8-177.627.2-34.5000109D17 R21D17-P19 VanDerWaalsContact O-CD 3.23Å; D17-P19 WeakPolarHBondContact O-CD 3.4Å; P19-R21 PolarHBondContact O-N 3.42Å
20K36.8Very low43.1Very low195 Ų195147.8 Ų147.885%0.84878%0.779SS**  trans-53.9102.3171-73.9-179.4177.6176.80107.7Q18 K22Q18-K20 PolarHBondContact O-N 3.27Å; K20-K22 PolarHBondContact O-N 3.27Å
21R36.6Very low46.1Very low227 Ų227144.8 Ų144.886%0.85776%0.763SS**  trans-55.5108.3177-73.1-174.6177.8178.20.8107.5P19 Q23P19-R21 PolarHBondContact O-N 3.42Å; R21-Q23 PolarHBondContact O-N 2.87Å; R21-Q23 VanDerWaalsContact O-N 3.1Å
22K32.9Very low49.2Very low199 Ų199142.3 Ų142.387%0.86575%0.753SS**  trans-61.7115.6179.5-69.7-173.9177.2-175.50108.4K20 G24K20-K22 PolarHBondContact O-N 3.27Å; K22-G24 PolarHBondContact O-N 3.07Å
23Q45.4Very low52.3Low205 Ų205142.8 Ų142.896%0.95875%0.748SS**SBendtrans-67.5100.1165.8-67.9169.2-38.500106.5R21R21-Q23 PolarHBondContact O-N 2.87Å; R21-Q23 VanDerWaalsContact O-N 3.1Å
24G44.7Very low55.2Low68 Ų68138.4 Ų138.470%0.70173%0.727SS**  trans166.523.8-169.200000115.1K22K22-G24 PolarHBondContact O-N 3.07Å
25A39.1Very low58.1Low85 Ų85135.9 Ų135.970%0.70271%0.707SS**  trans-163.1125.816700000108.8A27A25-A27 PolarHBondContact O-N 3.1Å
26T56Low61Low142 Ų142136.1 Ų136.187%0.87170%0.695SS**  trans-7966.8171.8540000110.3
27A55.4Low63.6Low65 Ų65133.7 Ų133.754%0.53768%0.677SS.*  trans-58.8140.3161.600000108.5A25 F29A25-A27 PolarHBondContact O-N 3.1Å; A27-F29 PolarHBondContact O-N 2.91Å; A27-F29 VanDerWaalsContact O-N 3.1Å
28P66.9Low66.5Low124 Ų124132.7 Ų132.781%0.80567%0.672SS**  trans-60.4119.8177.124.7-33000109.2R30P28-R30 VanDerWaalsContact C-N 3.33Å; P28-R30 PolarHBondContact O-N 3.09Å
29F80.5Confident69.1Low169 Ų169127.9 Ų127.974%0.74165%0.651SS**  trans-6691.2-179.6-72.4-84.7000110.2A27 Y31A27-F29 PolarHBondContact O-N 2.91Å; A27-F29 VanDerWaalsContact O-N 3.1Å; F29-Y31 HydrophobicContact CB-CE2 3.93Å
30R87.8Confident71.7Confident233 Ų233129.5 Ų129.588%0.87965%0.648SS**  trans-95.2104175.9-175179.3-175.3170.83.8109.5P28P28-R30 VanDerWaalsContact C-N 3.33Å; P28-R30 PolarHBondContact O-N 3.09Å
31Y91.4Very high74.2Confident113 Ų113127.8 Ų127.844%0.44364%0.643SS.*  trans-81.8149.2170.2-56.5-80.7000110.9F29 E35 L36 I39F29-Y31 HydrophobicContact CB-CE2 3.93Å; Y31-E35 VanDerWaalsContact CA-OE2 3.27Å; Y31-E35 WeakPolarHBondContact CA-OE2 3.26Å; Y31-E35 HydrophobicContact CD1-CB 4.44Å; Y31-L36 HydrophobicContact CD2-CD2 4.03Å; Y31-L36 HydrophobicContact CG-CD2 3.94Å; Y31-L36 HydrophobicContact CG-CG 4.42Å; Y31-I39 HydrophobicContact CD1-CD1 3.59Å; Y31-I39 HydrophobicContact CE1-CD1 3.6Å; Y31-I39 HydrophobicContact CG-CD1 4.37Å
32T93Very high76.8Confident66 Ų66121.2 Ų121.241%0.40562%0.624SS.*  trans-74167.9162.270.30000110.4E34 E35 L36T32-E34 WeakPolarHBondContact CB-OE2 3.33Å; T32-E34 PolarHBondContact O-N 2.57Å; T32-E34 PolarHBondContact OG1-N 3.22Å; T32-E35 PolarHBondContact N-OE2 2.98Å; T32-E35 WeakPolarHBondContact OG1-CB 3.39Å; T32-E35 VanDerWaalsContact OG1-CG 3.28Å; T32-E35 WeakPolarHBondContact OG1-CG 3.33Å; T32-E35 PolarHBondContact OG1-N 2.9Å; T32-L36 WeakPolarHBondContact O-CG 3.48Å; T32-L36 PolarHBondContact O-N 3.45Å; T32-L36 VanDerWaalsContact O-N 3.14Å
33K93.9Very high79.3Confident149 Ų149116.2 Ų116.265%0.64861%0.612SS**Hα-helixtrans-64.9-34.2175.6175.3-168.5170.9-162.70110.6L36 L37K33-L36 PolarHBondContact O-N 3.16Å; K33-L37 WeakPolarHBondContact O-CG 3.41Å; K33-L37 PolarHBondContact O-N 3.22Å
34E94.1Very high81.2Confident111 Ų111112.2 Ų112.252%0.51960%0.596SS.*Hα-helixtrans-69.6-49.5-179.1-62.461.7-137.200109.6T32 L36 L37 D38T32-E34 WeakPolarHBondContact CB-OE2 3.33Å; T32-E34 PolarHBondContact O-N 2.57Å; T32-E34 PolarHBondContact OG1-N 3.22Å; E34-L36 VanDerWaalsContact C-N 3.26Å; E34-L36 PolarHBondContact O-N 3.12Å; E34-L37 WeakPolarHBondContact O-CB 3.4Å; E34-L37 PolarHBondContact O-N 3.16Å; E34-D38 PolarHBondContact O-N 3.41Å
35E92.1Very high83.1Confident74 Ų74111.8 Ų111.835%0.34658%0.582SS.*Hα-helixtrans-57.5-37.1173.3-73.3170.9157.100112.2Y31 T32 L37 D38 I39Y31-E35 VanDerWaalsContact CA-OE2 3.27Å; Y31-E35 WeakPolarHBondContact CA-OE2 3.26Å; Y31-E35 HydrophobicContact CD1-CB 4.44Å; T32-E35 PolarHBondContact N-OE2 2.98Å; T32-E35 WeakPolarHBondContact OG1-CB 3.39Å; T32-E35 VanDerWaalsContact OG1-CG 3.28Å; T32-E35 WeakPolarHBondContact OG1-CG 3.33Å; T32-E35 PolarHBondContact OG1-N 2.9Å; E35-L37 VanDerWaalsContact C-N 3.34Å; E35-D38 PolarHBondContact O-N 3.18Å; E35-I39 WeakPolarHBondContact O-CB 3.42Å; E35-I39 WeakPolarHBondContact O-CD1 3.02Å; E35-I39 WeakPolarHBondContact O-CG1 3.31Å; E35-I39 PolarHBondContact O-N 2.96Å
36L92.6Very high85Confident92 Ų92114 Ų11448%0.48258%0.582SS.*Hα-helixtrans-69.6-27.5175.6-71.1174.3000113.7Y31 T32 K33 E34 K40Y31-L36 HydrophobicContact CD2-CD2 4.03Å; Y31-L36 HydrophobicContact CG-CD2 3.94Å; Y31-L36 HydrophobicContact CG-CG 4.42Å; T32-L36 WeakPolarHBondContact O-CG 3.48Å; T32-L36 PolarHBondContact O-N 3.45Å; T32-L36 VanDerWaalsContact O-N 3.14Å; K33-L36 PolarHBondContact O-N 3.16Å; E34-L36 VanDerWaalsContact C-N 3.26Å; E34-L36 PolarHBondContact O-N 3.12Å; L36-K40 WeakPolarHBondContact O-CB 3.4Å; L36-K40 PolarHBondContact O-N 3.29Å
37L92.2Very high86.4Confident91 Ų91113.3 Ų113.348%0.47657%0.569SS.*Hα-helixtrans-74.7-44.6173.1-70.7169.2000110.5K33 E34 E35 I39 K40 E41K33-L37 WeakPolarHBondContact O-CG 3.41Å; K33-L37 PolarHBondContact O-N 3.22Å; E34-L37 WeakPolarHBondContact O-CB 3.4Å; E34-L37 PolarHBondContact O-N 3.16Å; E35-L37 VanDerWaalsContact C-N 3.34Å; L37-I39 PolarHBondContact O-N 3.48Å; L37-K40 WeakPolarHBondContact O-CB 3.43Å; L37-K40 PolarHBondContact O-N 2.9Å; L37-K40 VanDerWaalsContact O-N 3.16Å; L37-E41 PolarHBondContact O-N 3.33Å
38D92.8Very high87.7Confident109 Ų109115.3 Ų115.358%0.58356%0.563SS**Hα-helixtrans-60.5-45.8175.8-62.9-15.7000111.3E34 E35 K40 E41E34-D38 PolarHBondContact O-N 3.41Å; E35-D38 PolarHBondContact O-N 3.18Å; D38-K40 VanDerWaalsContact C-N 3.27Å; D38-K40 PolarHBondContact O-N 3.15Å; D38-E41 PolarHBondContact O-N 2.89Å
39I91.2Very high88.7Confident68 Ų68112.7 Ų112.735%0.34955%0.546SS..Hα-helixtrans-60.1-37.4176.1-72.7164.4000111.3Y31 E35 L37 E41 L42 S45Y31-I39 HydrophobicContact CD1-CD1 3.59Å; Y31-I39 HydrophobicContact CE1-CD1 3.6Å; Y31-I39 HydrophobicContact CG-CD1 4.37Å; E35-I39 WeakPolarHBondContact O-CB 3.42Å; E35-I39 WeakPolarHBondContact O-CD1 3.02Å; E35-I39 WeakPolarHBondContact O-CG1 3.31Å; E35-I39 PolarHBondContact O-N 2.96Å; L37-I39 PolarHBondContact O-N 3.48Å; I39-E41 PolarHBondContact O-N 3.06Å; I39-L42 WeakPolarHBondContact O-CB 3.44Å; I39-L42 PolarHBondContact O-N 3.22Å; I39-S45 WeakPolarHBondContact O-CB 3.46Å
40K89.6Confident88.9Confident135 Ų135114.2 Ų114.259%0.58756%0.555SS**Hα-helixtrans-66.3-24.1177.3170.7177.9164.6-66.80112.6L36 L37 D38 S45L36-K40 WeakPolarHBondContact O-CB 3.4Å; L36-K40 PolarHBondContact O-N 3.29Å; L37-K40 WeakPolarHBondContact O-CB 3.43Å; L37-K40 PolarHBondContact O-N 2.9Å; L37-K40 VanDerWaalsContact O-N 3.16Å; D38-K40 VanDerWaalsContact C-N 3.27Å; D38-K40 PolarHBondContact O-N 3.15Å; K40-S45 PolarHBondContact O-OG 3.32Å
41E90.8Very high88.6Confident158 Ų158108.5 Ų108.574%0.73855%0.549SS*.Hα-helixtrans-86.3-9.5177.7-64.6-170179.500113.8L37 D38 I39L37-E41 PolarHBondContact O-N 3.33Å; D38-E41 PolarHBondContact O-N 2.89Å; I39-E41 PolarHBondContact O-N 3.06Å
42L89.9Confident88.3Confident89 Ų89105.7 Ų105.747%0.46654%0.542SS..SBendtrans-67.9143.1173.2-60.1177.3000111.5I39 I44 S45 N46I39-L42 WeakPolarHBondContact O-CB 3.44Å; I39-L42 PolarHBondContact O-N 3.22Å; L42-I44 PolarHBondContact O-N 3.28Å; L42-S45 WeakPolarHBondContact O-CB 3.45Å; L42-S45 PolarHBondContact O-N 2.82Å; L42-S45 PolarHBondContact O-OG 3.4Å; L42-N46 PolarHBondContact O-ND2 3.15Å
43P85.6Confident87.9Confident95 Ų95104.8 Ų104.862%0.61754%0.538SS*.G310 helixtrans-59.2-36.2179.423-32.9000112.5S45 N46P43-S45 PolarHBondContact O-N 3.21Å; P43-S45 VanDerWaalsContact O-N 3.15Å; P43-N46 WeakPolarHBondContact O-CB 3.36Å; P43-N46 PolarHBondContact O-N 2.96Å
44I84.7Confident87.6Confident121 Ų121105.1 Ų105.162%0.62154%0.542SS*.G310 helixtrans-59.4-25.8178.8-54.9169.8000112.1L42 N46 E47L42-I44 PolarHBondContact O-N 3.28Å; I44-N46 PolarHBondContact O-N 3.15Å; I44-E47 PolarHBondContact O-N 2.8Å
45S85.1Confident87.2Confident58 Ų58106.6 Ų106.641%0.40655%0.547SS..G310 helixtrans-69.7-17176.382.40000113.5I39 K40 L42 P43I39-S45 WeakPolarHBondContact O-CB 3.46Å; K40-S45 PolarHBondContact O-OG 3.32Å; L42-S45 WeakPolarHBondContact O-CB 3.45Å; L42-S45 PolarHBondContact O-N 2.82Å; L42-S45 PolarHBondContact O-OG 3.4Å; P43-S45 PolarHBondContact O-N 3.21Å; P43-S45 VanDerWaalsContact O-N 3.15Å
46N80.1Confident87.1Confident131 Ų131105.5 Ų105.570%0.70154%0.54SS*.G310 helixtrans-99.2-6.8178-57.1-93.6000111.7L42 P43 I44L42-N46 PolarHBondContact O-ND2 3.15Å; P43-N46 WeakPolarHBondContact O-CB 3.36Å; P43-N46 PolarHBondContact O-N 2.96Å; I44-N46 PolarHBondContact O-N 3.15Å
47E84.1Confident86.9Confident129 Ų129102.1 Ų102.160%0.60352%0.522SS*.SBendtrans-86.3144.6173.4-65.2-178.3168.800110I44 P49I44-E47 PolarHBondContact O-N 2.8Å; E47-P49 WeakPolarHBondContact O-CD 3.37Å
48R84Confident86.7Confident107 Ų10799.5 Ų99.540%0.40451%0.512SS..PPolyproline II helixtrans-76.4126.3-179.4-172.2-168.4179.291.4-1.5110.4E50 L52 D57R48-E50 PolarHBondContact O-N 2.92Å; R48-L52 VanDerWaalsContact CZ-O 3.24Å; R48-L52 PolarHBondContact NE-O 3.44Å; R48-L52 PolarHBondContact NH2-O 3.3Å; R48-D57 IonicContact CZ-OD1 2.84Å; R48-D57 IonicContact CZ-OD2 2.67Å; R48-D57 VanDerWaalsContact CZ-OD2 3.25Å; R48-D57 IonicContact NH1-OD1 2.84Å; R48-D57 PolarHBondContact NH1-OD1 3.43Å; R48-D57 IonicContact NH1-OD2 2.65Å; R48-D57 PolarHBondContact NH1-OD2 2.96Å; R48-D57 IonicContact NH2-OD1 2.75Å; R48-D57 PolarHBondContact NH2-OD1 2.68Å; R48-D57 IonicContact NH2-OD2 2.68Å; R48-D57 PolarHBondContact NH2-OD2 3.01Å
49P87.5Confident86.3Confident69 Ų69102.8 Ų102.845%0.44853%0.529SS..PPolyproline II helixtrans-62.3129.8172.1-21.532.9000112E47 C51 L52E47-P49 WeakPolarHBondContact O-CD 3.37Å; P49-C51 PolarHBondContact O-N 3.32Å; P49-C51 VanDerWaalsContact O-N 3.15Å; P49-L52 HydrophobicContact CB-CG 4.31Å; P49-L52 HydrophobicContact CG-CD1 4.25Å; P49-L52 PolarHBondContact O-N 2.95Å
50E83.2Confident85.9Confident200 Ų200102.5 Ų102.594%0.93554%0.543SS*.THydrogen-bonded Turntrans-59.4-27.2-178.7-172.4176.3-169.300113.2R48 L52R48-E50 PolarHBondContact O-N 2.92Å; E50-L52 PolarHBondContact O-N 3.37Å
51C83.4Confident85.8Confident113 Ų113101 Ų10176%0.76455%0.545SS*.THydrogen-bonded Turntrans-66.9-19.9174.9600000114.1P49 S53P49-C51 PolarHBondContact O-N 3.32Å; P49-C51 VanDerWaalsContact O-N 3.15Å; C51-S53 PolarHBondContact O-N 2.94Å
52L85.3Confident85.8Confident55 Ų5597.1 Ų97.129%0.28852%0.524SS..SBendtrans-89.396.7177.4-61.3-174.3000110.1R48 P49 E50 E54 W62R48-L52 VanDerWaalsContact CZ-O 3.24Å; R48-L52 PolarHBondContact NE-O 3.44Å; R48-L52 PolarHBondContact NH2-O 3.3Å; P49-L52 HydrophobicContact CB-CG 4.31Å; P49-L52 HydrophobicContact CG-CD1 4.25Å; P49-L52 PolarHBondContact O-N 2.95Å; E50-L52 PolarHBondContact O-N 3.37Å; L52-E54 PolarHBondContact O-N 3.36Å; L52-W62 HydrophobicContact CB-CG 4.45Å; L52-W62 HydrophobicContact CD1-CB 4.31Å; L52-W62 HydrophobicContact CD1-CG 4.23Å; L52-W62 HydrophobicContact CD2-CD2 4.18Å; L52-W62 HydrophobicContact CD2-CG 4.32Å; L52-W62 HydrophobicContact CD2-CZ2 4.44Å
53S83.8Confident85.9Confident47 Ų4794.2 Ų94.233%0.32951%0.509SS..  trans-72.1123.7-178.9-162.80000112.5C51 K55 Y56C51-S53 PolarHBondContact O-N 2.94Å; S53-K55 PolarHBondContact O-N 2.92Å; S53-K55 PolarHBondContact OG-NZ 2.89Å; S53-Y56 PolarHBondContact O-N 3.5Å
54E86.6Confident86.1Confident156 Ų15692.7 Ų92.773%0.72950%0.499SS*.G310 helixtrans-53.2-25.2-176.7-173.8-179.9-165.900114.9L52 Y56 D57L52-E54 PolarHBondContact O-N 3.36Å; E54-Y56 PolarHBondContact O-N 3.05Å; E54-D57 VanDerWaalsContact O-CB 3.28Å; E54-D57 WeakPolarHBondContact O-CB 3.39Å; E54-D57 PolarHBondContact O-N 2.97Å
55K86.7Confident86.3Confident142 Ų14294.5 Ų94.562%0.61751%0.505SS*.G310 helixtrans-60.7-12.3173.964.8173.1176.5-75.40114.4S53S53-K55 PolarHBondContact O-N 2.92Å; S53-K55 PolarHBondContact OG-NZ 2.89Å
56Y90Very high86.5Confident50 Ų5096 Ų9620%0.19650%0.504CS..G310 helixtrans-104.420.5174.8-53.4-43.4000112.5S53 E54 D63 W67 S70S53-Y56 PolarHBondContact O-N 3.5Å; E54-Y56 PolarHBondContact O-N 3.05Å; Y56-D63 WeakPolarHBondContact O-CA 3.23Å; Y56-D63 VanDerWaalsContact O-CB 3.27Å; Y56-D63 WeakPolarHBondContact O-CB 3.48Å; Y56-D63 PolarHBondContact O-N 3.08Å; Y56-W67 HydrophobicContact CD2-CB 4.26Å; Y56-W67 AromaticContact CD2-CD1 3.67Å; Y56-W67 HydrophobicContact CD2-CG 4.33Å; Y56-W67 AromaticContact CE2-CD1 3.57Å; Y56-W67 HydrophobicContact CG-CB 4.12Å; Y56-S70 VanDerWaalsContact CE1-CB 3.42Å; Y56-S70 VanDerWaalsContact CE1-OG 3.26Å; Y56-S70 WeakPolarHBondContact CE1-OG 3.45Å; Y56-S70 PolarHBondContact OH-OG 3.04Å
57D89.1Confident87.1Confident21 Ų2194.1 Ų94.111%0.11249%0.487CS..EExtended strand (participates in β ladder)trans-96.9146.9-179.2-68.310.8000112.8R48 E54 V61 W62 K66R48-D57 IonicContact CZ-OD1 2.84Å; R48-D57 IonicContact CZ-OD2 2.67Å; R48-D57 VanDerWaalsContact CZ-OD2 3.25Å; R48-D57 IonicContact NH1-OD1 2.84Å; R48-D57 PolarHBondContact NH1-OD1 3.43Å; R48-D57 IonicContact NH1-OD2 2.65Å; R48-D57 PolarHBondContact NH1-OD2 2.96Å; R48-D57 IonicContact NH2-OD1 2.75Å; R48-D57 PolarHBondContact NH2-OD1 2.68Å; R48-D57 IonicContact NH2-OD2 2.68Å; R48-D57 PolarHBondContact NH2-OD2 3.01Å; E54-D57 VanDerWaalsContact O-CB 3.28Å; E54-D57 WeakPolarHBondContact O-CB 3.39Å; E54-D57 PolarHBondContact O-N 2.97Å; D57-V61 CarbonylContact C-O 3.54Å; D57-V61 WeakPolarHBondContact CA-O 3.28Å; D57-V61 WeakPolarHBondContact CB-O 3.2Å; D57-W62 WeakPolarHBondContact OD1-CA 3.43Å; D57-K66 WeakPolarHBondContact O-CD 3.36Å; D57-K66 PolarHBondContact O-NZ 2.69Å
58S86.9Confident87.3Confident37 Ų3792.4 Ų92.426%0.25948%0.479SS..EExtended strand (participates in β ladder)trans-115.1126.9162.3-77.90000108.9G60 V61 D63 K66S58-G60 PolarHBondContact O-N 3.07Å; S58-G60 VanDerWaalsContact O-N 3.08Å; S58-V61 PolarHBondContact N-O 2.64Å; S58-V61 PolarHBondContact O-N 3.25Å; S58-V61 VanDerWaalsContact O-O 3.09Å; S58-D63 WeakPolarHBondContact CB-OD2 3.38Å; S58-D63 PolarHBondContact OG-OD2 2.78Å; S58-K66 VanDerWaalsContact OG-CE 3.3Å; S58-K66 WeakPolarHBondContact OG-CE 3.33Å; S58-K66 PolarHBondContact OG-NZ 3.28Å
59D84.1Confident87.5Confident177 Ų17790 Ų9095%0.94748%0.481SS*.THydrogen-bonded Turntrans50.932.1179.8-58.6-24000114.9
60G83.6Confident87.4Confident62 Ų6288.6 Ų88.664%0.63947%0.474SS*.THydrogen-bonded Turntrans83.26.3-179.900000115.2S58S58-G60 PolarHBondContact O-N 3.07Å; S58-G60 VanDerWaalsContact O-N 3.08Å
61V87.4Confident87.4Confident104 Ų10483.3 Ų83.363%0.6345%0.451SS*.EExtended strand (participates in β ladder)trans-112.1139.2173.8-177.20000108.8D57 S58 D63D57-V61 CarbonylContact C-O 3.54Å; D57-V61 WeakPolarHBondContact CA-O 3.28Å; D57-V61 WeakPolarHBondContact CB-O 3.2Å; S58-V61 PolarHBondContact N-O 2.64Å; S58-V61 PolarHBondContact O-N 3.25Å; S58-V61 VanDerWaalsContact O-O 3.09Å; V61-D63 PolarHBondContact O-N 3.35Å
62W90.6Very high87.5Confident76 Ų7685.1 Ų85.129%0.28844%0.443SS..EExtended strand (participates in β ladder)trans-61.7126.8177.2-173.775.6000111.3L52 D57 P64 W67L52-W62 HydrophobicContact CB-CG 4.45Å; L52-W62 HydrophobicContact CD1-CB 4.31Å; L52-W62 HydrophobicContact CD1-CG 4.23Å; L52-W62 HydrophobicContact CD2-CD2 4.18Å; L52-W62 HydrophobicContact CD2-CG 4.32Å; L52-W62 HydrophobicContact CD2-CZ2 4.44Å; D57-W62 WeakPolarHBondContact OD1-CA 3.43Å; W62-P64 HydrophobicContact CE3-CG 4.16Å; W62-P64 HydrophobicContact CH2-CB 4.4Å; W62-P64 HydrophobicContact CZ3-CB 4.11Å; W62-P64 HydrophobicContact CZ3-CG 3.77Å; W62-W67 HydrophobicContact CH2-CB 4.29Å; W62-W67 HydrophobicContact CH2-CD2 4.12Å; W62-W67 AromaticContact CH2-CE3 3.83Å; W62-W67 HydrophobicContact CH2-CE3 3.83Å; W62-W67 HydrophobicContact CH2-CG 4.34Å; W62-W67 HydrophobicContact CZ2-CB 3.59Å; W62-W67 AromaticContact CZ2-CD2 3.78Å; W62-W67 HydrophobicContact CZ2-CD2 3.78Å; W62-W67 AromaticContact CZ2-CE3 3.99Å; W62-W67 HydrophobicContact CZ2-CE3 3.99Å; W62-W67 AromaticContact CZ2-CG 3.61Å; W62-W67 HydrophobicContact CZ2-CG 3.61Å
63D91.1Very high86.4Confident28 Ų2887.6 Ų87.615%0.1546%0.462CS..  trans-109.6110.4-172176.9-13.8000110Y56 S58 V61 E65 K66 W67Y56-D63 WeakPolarHBondContact O-CA 3.23Å; Y56-D63 VanDerWaalsContact O-CB 3.27Å; Y56-D63 WeakPolarHBondContact O-CB 3.48Å; Y56-D63 PolarHBondContact O-N 3.08Å; S58-D63 WeakPolarHBondContact CB-OD2 3.38Å; S58-D63 PolarHBondContact OG-OD2 2.78Å; V61-D63 PolarHBondContact O-N 3.35Å; D63-E65 VanDerWaalsContact C-N 3.28Å; D63-E65 PolarHBondContact O-N 3.16Å; D63-E65 WeakPolarHBondContact OD1-CA 3.3Å; D63-E65 WeakPolarHBondContact OD1-CB 3.34Å; D63-E65 PolarHBondContact OD1-N 3.03Å; D63-K66 HydrophobicContact CB-CB 4.12Å; D63-K66 HydrophobicContact CB-CD 4.06Å; D63-K66 HydrophobicContact CB-CG 4.31Å; D63-K66 PolarHBondContact O-N 3.04Å; D63-K66 PolarHBondContact OD1-N 3.4Å; D63-K66 WeakPolarHBondContact OD2-CD 3.39Å; D63-W67 PolarHBondContact O-N 3.49Å; D63-W67 VanDerWaalsContact O-N 3.14Å
64P90.5Very high84.5Confident63 Ų6391.8 Ų91.841%0.40949%0.486SS..Hα-helixtrans-59.6-36.2178.3-2130.9000112.8W62 W67 H68W62-P64 HydrophobicContact CE3-CG 4.16Å; W62-P64 HydrophobicContact CH2-CB 4.4Å; W62-P64 HydrophobicContact CZ3-CB 4.11Å; W62-P64 HydrophobicContact CZ3-CG 3.77Å; P64-W67 PolarHBondContact O-N 2.81Å; P64-H68 WeakPolarHBondContact O-CB 3.48Å; P64-H68 PolarHBondContact O-CD2 3.34Å; P64-H68 PolarHBondContact O-N 3.23Å
65E88.7Confident82.5Confident160 Ų16087.5 Ų87.575%0.74847%0.474SS*.Hα-helixtrans-66.8-40.8-177.6-61.7-173.1-167.200110.8D63 A69D63-E65 VanDerWaalsContact C-N 3.28Å; D63-E65 PolarHBondContact O-N 3.16Å; D63-E65 WeakPolarHBondContact OD1-CA 3.3Å; D63-E65 WeakPolarHBondContact OD1-CB 3.34Å; D63-E65 PolarHBondContact OD1-N 3.03Å; E65-A69 VanDerWaalsContact O-CB 3.23Å; E65-A69 WeakPolarHBondContact O-CB 3.42Å; E65-A69 PolarHBondContact O-N 2.9Å
66K90.2Very high80.5Confident90 Ų9089.7 Ų89.739%0.39149%0.486SS..Hα-helixtrans-62.7-42.6172.4-82.4176.1170.7163.90112.4D57 S58 D63 S70D57-K66 WeakPolarHBondContact O-CD 3.36Å; D57-K66 PolarHBondContact O-NZ 2.69Å; S58-K66 VanDerWaalsContact OG-CE 3.3Å; S58-K66 WeakPolarHBondContact OG-CE 3.33Å; S58-K66 PolarHBondContact OG-NZ 3.28Å; D63-K66 HydrophobicContact CB-CB 4.12Å; D63-K66 HydrophobicContact CB-CD 4.06Å; D63-K66 HydrophobicContact CB-CG 4.31Å; D63-K66 PolarHBondContact O-N 3.04Å; D63-K66 PolarHBondContact OD1-N 3.4Å; D63-K66 WeakPolarHBondContact OD2-CD 3.39Å; K66-S70 PolarHBondContact O-N 3.37Å; K66-S70 VanDerWaalsContact O-N 3.15Å
67W91.6Very high78.3Confident91 Ų9197.9 Ų97.935%0.34552%0.516SS..Hα-helixtrans-63.8-51176.1176.161.3000111.4Y56 W62 D63 P64 A69 S70 L71Y56-W67 HydrophobicContact CD2-CB 4.26Å; Y56-W67 AromaticContact CD2-CD1 3.67Å; Y56-W67 HydrophobicContact CD2-CG 4.33Å; Y56-W67 AromaticContact CE2-CD1 3.57Å; Y56-W67 HydrophobicContact CG-CB 4.12Å; W62-W67 HydrophobicContact CH2-CB 4.29Å; W62-W67 HydrophobicContact CH2-CD2 4.12Å; W62-W67 AromaticContact CH2-CE3 3.83Å; W62-W67 HydrophobicContact CH2-CE3 3.83Å; W62-W67 HydrophobicContact CH2-CG 4.34Å; W62-W67 HydrophobicContact CZ2-CB 3.59Å; W62-W67 AromaticContact CZ2-CD2 3.78Å; W62-W67 HydrophobicContact CZ2-CD2 3.78Å; W62-W67 AromaticContact CZ2-CE3 3.99Å; W62-W67 HydrophobicContact CZ2-CE3 3.99Å; W62-W67 AromaticContact CZ2-CG 3.61Å; W62-W67 HydrophobicContact CZ2-CG 3.61Å; D63-W67 PolarHBondContact O-N 3.49Å; D63-W67 VanDerWaalsContact O-N 3.14Å; P64-W67 PolarHBondContact O-N 2.81Å; W67-A69 VanDerWaalsContact C-N 3.33Å; W67-A69 PolarHBondContact O-N 3.46Å; W67-S70 WeakPolarHBondContact O-CB 3.41Å; W67-S70 PolarHBondContact O-N 2.95Å; W67-S70 PolarHBondContact O-OG 3.1Å; W67-L71 HydrophobicContact CD2-CD1 4.44Å; W67-L71 HydrophobicContact CH2-CD1 4.19Å; W67-L71 HydrophobicContact CZ2-CD1 3.98Å; W67-L71 HydrophobicContact CZ3-CD1 4.49Å; W67-L71 PolarHBondContact O-N 2.91Å
68H89.1Confident75.9Confident93 Ų93104.1 Ų104.143%0.43155%0.55SS..Hα-helixtrans-59.6-40.8177.6-78.5-68.9000112.2P64 S70 L71 Y72P64-H68 WeakPolarHBondContact O-CB 3.48Å; P64-H68 PolarHBondContact O-CD2 3.34Å; P64-H68 PolarHBondContact O-N 3.23Å; H68-S70 VanDerWaalsContact C-N 3.26Å; H68-S70 PolarHBondContact O-N 2.83Å; H68-L71 WeakPolarHBondContact O-CB 3.46Å; H68-L71 PolarHBondContact O-N 3.46Å; H68-L71 VanDerWaalsContact O-N 3.15Å; H68-Y72 WeakPolarHBondContact O-CD2 3.27Å
69A87.4Confident73.3Confident55 Ų55106.7 Ų106.746%0.45557%0.568SS.*Hα-helixtrans-59.9-36.3174.300000112.5E65 W67 L71 Y72E65-A69 VanDerWaalsContact O-CB 3.23Å; E65-A69 WeakPolarHBondContact O-CB 3.42Å; E65-A69 PolarHBondContact O-N 2.9Å; W67-A69 VanDerWaalsContact C-N 3.33Å; W67-A69 PolarHBondContact O-N 3.46Å; A69-L71 VanDerWaalsContact C-N 3.28Å; A69-L71 PolarHBondContact O-N 3Å; A69-Y72 PolarHBondContact O-N 2.81Å
70S85.4Confident71.4Confident41 Ų41104 Ų10429%0.28756%0.56SS.*Hα-helixtrans-67.5-25.1177.481.50000114.3Y56 K66 W67 H68 Y72Y56-S70 VanDerWaalsContact CE1-CB 3.42Å; Y56-S70 VanDerWaalsContact CE1-OG 3.26Å; Y56-S70 WeakPolarHBondContact CE1-OG 3.45Å; Y56-S70 PolarHBondContact OH-OG 3.04Å; K66-S70 PolarHBondContact O-N 3.37Å; K66-S70 VanDerWaalsContact O-N 3.15Å; W67-S70 WeakPolarHBondContact O-CB 3.41Å; W67-S70 PolarHBondContact O-N 2.95Å; W67-S70 PolarHBondContact O-OG 3.1Å; H68-S70 VanDerWaalsContact C-N 3.26Å; H68-S70 PolarHBondContact O-N 2.83Å; S70-Y72 PolarHBondContact O-N 3.15Å
71L84.7Confident69.3Low88 Ų88108.8 Ų108.846%0.46157%0.569SS.*THydrogen-bonded Turntrans-73.1-14.8177-58.8178.1000112.7W67 H68 A69 P73W67-L71 HydrophobicContact CD2-CD1 4.44Å; W67-L71 HydrophobicContact CH2-CD1 4.19Å; W67-L71 HydrophobicContact CZ2-CD1 3.98Å; W67-L71 HydrophobicContact CZ3-CD1 4.49Å; W67-L71 PolarHBondContact O-N 2.91Å; H68-L71 WeakPolarHBondContact O-CB 3.46Å; H68-L71 PolarHBondContact O-N 3.46Å; H68-L71 VanDerWaalsContact O-N 3.15Å; A69-L71 VanDerWaalsContact C-N 3.28Å; A69-L71 PolarHBondContact O-N 3Å; L71-P73 WeakPolarHBondContact O-CD 3.26Å
72Y84.1Confident67.1Low152 Ų152112.2 Ų112.260%0.59658%0.578SS**  trans-12276.5178.7-58.6-74.1000111.9H68 A69 S70 T74 S75H68-Y72 WeakPolarHBondContact O-CD2 3.27Å; A69-Y72 PolarHBondContact O-N 2.81Å; S70-Y72 PolarHBondContact O-N 3.15Å; Y72-T74 PolarHBondContact O-N 3.33Å; Y72-S75 WeakPolarHBondContact O-CB 3.37Å; Y72-S75 PolarHBondContact O-N 3.32Å
73P63.7Low64.8Low106 Ų106111 Ų11169%0.68859%0.59SS**THydrogen-bonded Turntrans-58.1-15179.3-26.435.3000115.7L71L71-P73 WeakPolarHBondContact O-CD 3.26Å
74T43.6Very low62.1Low135 Ų135119.2 Ų119.283%0.82862%0.624SS**THydrogen-bonded Turntrans-73.4-14.1172.148.50000113.4Y72 E76Y72-T74 PolarHBondContact O-N 3.33Å; T74-E76 VanDerWaalsContact C-N 3.3Å; T74-E76 PolarHBondContact O-N 3.36Å; T74-E76 VanDerWaalsContact O-N 3.1Å
75S44.5Very low59.6Low67 Ų67125.4 Ų125.447%0.46965%0.645SS.*  trans-79.678.8167.5-167.70000109.5Y72 R77Y72-S75 WeakPolarHBondContact O-CB 3.37Å; Y72-S75 PolarHBondContact O-N 3.32Å; S75-R77 PolarHBondContact O-N 3.17Å
76E44.7Very low57.5Low187 Ų187125.9 Ų125.987%0.87464%0.644SS**  trans-70.863169.8-72-168.1160.400111.4T74T74-E76 VanDerWaalsContact C-N 3.3Å; T74-E76 PolarHBondContact O-N 3.36Å; T74-E76 VanDerWaalsContact O-N 3.1Å
77R43Very low54.8Low223 Ų223129.2 Ų129.284%0.84267%0.666SS**  trans-95.76.3158-117.5-170.2-171.7-155.77.1112.7S75 S79S75-R77 PolarHBondContact O-N 3.17Å; R77-S79 PolarHBondContact O-N 3.15Å
78N38.7Very low52Low152 Ų152133.9 Ų133.981%0.81369%0.685SS**  trans-69.561.8165.8-70.5-14.3000111.4P80N78-P80 WeakPolarHBondContact O-CD 3.36Å
79S33.3Very low49.3Very low90 Ų90138.5 Ų138.563%0.62971%0.709SS**  trans-84.2112.4154.557.90000107.7R77 I81R77-S79 PolarHBondContact O-N 3.15Å; S79-I81 PolarHBondContact O-N 2.97Å
80P42.9Very low47Very low122 Ų122142.9 Ų142.979%0.79273%0.725SS**  trans-61.2110.4172.2-19.933.2000108.5N78N78-P80 WeakPolarHBondContact O-CD 3.36Å
81I39.7Very low44.6Very low162 Ų162146.4 Ų146.483%0.83174%0.741SS**  trans-95.629.1174-162.657.1000111.2S79S79-I81 PolarHBondContact O-N 2.97Å
82E41.2Very low42.6Very low176 Ų176151.1 Ų151.182%0.82275%0.753SS**  trans-61.3138.6157.5-151.463-114.800108.2
83G41.7Very low40.1Very low51 Ų51150.3 Ų150.353%0.52676%0.763SS.*  trans-72.3170.7-161.800000116.3
84F35.9Very low39.4Very low199 Ų199154.1 Ų154.187%0.87377%0.771SS**  trans97.8127.1160.3-62.5-79.3000120.2
85K37.5Very low39.2Very low193 Ų193153.8 Ų153.884%0.83976%0.764SS**  trans70.282.3154.9-64170.4-174177.80117.4D87K85-D87 PolarHBondContact O-N 2.54Å
86K44.9Very low39.1Very low171 Ų171159.7 Ų159.774%0.74378%0.781SS**  trans-21128.1131.6173.1-150.4172.9-168.70112.5
87D32.8Very low39.2Very low159 Ų159161 Ų16185%0.8578%0.778SS**  trans-135.9156.8131.9-105.6-41.1000111.5K85K85-D87 PolarHBondContact O-N 2.54Å
88Y33.7Very low39.4Very low190 Ų190161.9 Ų161.975%0.74578%0.781SS**  trans-123.9108.7-168.1-138.6-97.1000108.3
89M31Very low40Very low190 Ų190160.9 Ų160.994%0.93678%0.775SS**  trans-131.1102.9166.6-81.7-65.4147.600108.8
90D40.2Very low41.3Very low147 Ų147159.7 Ų159.779%0.78676%0.764SS**  trans-100.397.9171.417925.8000108
91D34.9Very low42.1Very low115 Ų115158.3 Ų158.362%0.61575%0.75SS**  trans-149.7109.5158-144-12.1000112.4
92R41.9Very low43.1Very low187 Ų187155 Ų15571%0.70674%0.739SS**  trans41.889.6155-75.3174.1-84.1-164.6-8.5119.8
93V31.9Very low44.1Very low134 Ų134156.3 Ų156.381%0.81274%0.737SS**  -140.4104.5127.2-174.10000110.7L95V93-L95 HydrophobicContact CG1-CB 4.18Å; V93-L95 PolarHBondContact O-N 2.78Å
94H50.5Low45.1Very low186 Ų186159.2 Ų159.286%0.86174%0.737SS**  trans-87.494.9168.5-64.6-71.3000110.5
95L39.1Very low46.1Very low129 Ų129154.2 Ų154.268%0.67571%0.712SS**  trans-142.995.1171.3-161.570.3000113.5V93V93-L95 HydrophobicContact CG1-CB 4.18Å; V93-L95 PolarHBondContact O-N 2.78Å
96K41.3Very low47.2Very low191 Ų191151 Ų15183%0.8370%0.703SS**SBendtrans57122.6148.6-61.9178-177.1-178.60116.3
97R46.8Very low47.8Very low214 Ų214151.5 Ų151.581%0.80871%0.705SS**  cis-166.582.121.1-171.9-177.765.698.75.8111.7
98R47.6Very low48.8Very low242 Ų242151.1 Ų151.191%0.91370%0.699SS**PPolyproline II helixtrans-77.8148.4157.1-90.6-170.3170.1106.23109.4P100R98-P100 WeakPolarHBondContact O-CD 3.15Å
99I52.2Low49.9Very low131 Ų131145.9 Ų145.967%0.67268%0.683SS**PPolyproline II helixtrans-76.6120.9178.3-63.6172.5000107.4
100P60.1Low51.2Low64 Ų64143.3 Ų143.342%0.41667%0.674SS.*PPolyproline II helixtrans-62.4161.8175.9-26.136.6000113.1R98 R105R98-P100 WeakPolarHBondContact O-CD 3.15Å; P100-R105 PolarHBondContact O-NH1 2.85Å
101D58.5Low51.7Low93 Ų93144.4 Ų144.450%0.49768%0.679SS.*PPolyproline II helixtrans-62138.9179-168.5-49.6000110.5R103 E104 R105D101-R103 PolarHBondContact O-N 3.32Å; D101-R103 VanDerWaalsContact O-N 3.11Å; D101-R103 WeakPolarHBondContact OD1-CB 3.38Å; D101-R103 PolarHBondContact OD1-N 2.84Å; D101-E104 HydrophobicContact CB-CB 4.41Å; D101-E104 WeakPolarHBondContact O-CB 3.27Å; D101-E104 PolarHBondContact O-N 3.14Å; D101-R105 PolarHBondContact O-N 3.14Å
102P62.1Low52.8Low92 Ų92145.3 Ų145.360%0.59768%0.683SS**Hα-helixtrans-51.5-26.8170.3-29.136.6000115.1E104P102-E104 VanDerWaalsContact C-N 3.28Å; P102-E104 PolarHBondContact O-N 3.18Å
103R62Low53.4Low204 Ų204141.5 Ų141.577%0.7768%0.681SS**Hα-helixtrans-69-22.1172.6-111.868.9175.2-126.2-1.2114.4D101D101-R103 PolarHBondContact O-N 3.32Å; D101-R103 VanDerWaalsContact O-N 3.11Å; D101-R103 WeakPolarHBondContact OD1-CB 3.38Å; D101-R103 PolarHBondContact OD1-N 2.84Å
104E62.5Low54.4Low113 Ų113141 Ų14153%0.52868%0.677SS.*Hα-helixtrans-87.1-46.7-174.5-162.8161.5-142.600110.4D101 P102 L106 K107D101-E104 HydrophobicContact CB-CB 4.41Å; D101-E104 WeakPolarHBondContact O-CB 3.27Å; D101-E104 PolarHBondContact O-N 3.14Å; P102-E104 VanDerWaalsContact C-N 3.28Å; P102-E104 PolarHBondContact O-N 3.18Å; E104-L106 VanDerWaalsContact C-N 3.31Å; E104-L106 PolarHBondContact O-N 2.98Å; E104-K107 PolarHBondContact O-N 3.47Å
105R57.7Low54Low93 Ų93139.1 Ų139.135%0.35167%0.673SS.*Hα-helixtrans-50.3-46.8172-81.8-170.8-172.672.65.4113.6P100 D101 K107 E108 D109P100-R105 PolarHBondContact O-NH1 2.85Å; D101-R105 PolarHBondContact O-N 3.14Å; R105-K107 PolarHBondContact O-N 3Å; R105-E108 PolarHBondContact O-N 3.49Å; R105-D109 WeakPolarHBondContact CB-OD2 3.44Å; R105-D109 WeakPolarHBondContact O-CB 3.28Å; R105-D109 PolarHBondContact O-N 3.26Å
106L59.5Low54.2Low126 Ų126137.8 Ų137.866%0.6668%0.675SS**Hα-helixtrans-63.82179.6-72.6170.1000114.8E104E104-L106 VanDerWaalsContact C-N 3.31Å; E104-L106 PolarHBondContact O-N 2.98Å
107K57.9Low54.5Low181 Ų181135.2 Ų135.279%0.78768%0.677SS**Hα-helixtrans-109.6-15.7168.2-74.2-173.8170.6-174.60114.5E104 R105E104-K107 PolarHBondContact O-N 3.47Å; R105-K107 PolarHBondContact O-N 3Å
108E54.2Low54.1Low151 Ų151132.9 Ų132.971%0.70668%0.676SS**Hα-helixtrans-99.4-38.9177.9-61.1-172.1141.200110.6R105 D110R105-E108 PolarHBondContact O-N 3.49Å; E108-D110 PolarHBondContact O-N 3.4Å
109D55.9Low53.8Low80 Ų80131.4 Ų131.443%0.42867%0.67SS.*G310 helixtrans-69.3-17.8-178.5-64-28.2000113.4R105 L111 D112 V113R105-D109 WeakPolarHBondContact CB-OD2 3.44Å; R105-D109 WeakPolarHBondContact O-CB 3.28Å; R105-D109 PolarHBondContact O-N 3.26Å; D109-L111 PolarHBondContact O-N 2.62Å; D109-D112 PolarHBondContact O-N 2.8Å; D109-V113 WeakPolarHBondContact O-CG2 3.41Å; D109-V113 PolarHBondContact O-N 3.27Å
110D58.1Low53.7Low136 Ų136137.1 Ų137.173%0.72768%0.683SS**G310 helixtrans-62.1-6.9-174-133.426.6000114.1E108E108-D110 PolarHBondContact O-N 3.4Å
111L51.8Low53Low170 Ų170138 Ų13889%0.8969%0.691SS**G310 helixtrans-109.4-8.1175.6-76.6169.8000114.7D109D109-L111 PolarHBondContact O-N 2.62Å
112D57Low52.2Low134 Ų134143.9 Ų143.972%0.71771%0.713SS**  trans-139.326.7-173.5-149.113.3000113.6D109 V114D109-D112 PolarHBondContact O-N 2.8Å; D112-V114 PolarHBondContact O-N 2.96Å
113V55.7Low51Low107 Ų107143 Ų14365%0.64872%0.72SS**  trans-71.471.1171.3-166.60000111.2D109 L115D109-V113 WeakPolarHBondContact O-CG2 3.41Å; D109-V113 PolarHBondContact O-N 3.27Å; V113-L115 PolarHBondContact O-N 3.06Å
114V52.6Low50.2Low123 Ų123139.6 Ų139.675%0.74573%0.727SS**  trans-67.9128.2162.3-179.50000108.4D112D112-V114 PolarHBondContact O-N 2.96Å
115L41.4Very low49Very low147 Ų147137.7 Ų137.777%0.7774%0.738SS**  trans-56.6143.9-172.9-65.3168.1000113.1V113V113-L115 PolarHBondContact O-N 3.06Å
116S43.1Very low47.9Very low102 Ų102138.4 Ų138.471%0.71376%0.756SS**SBendtrans-44.4150.8178.9-52.70000114Q118S116-Q118 PolarHBondContact O-N 2.97Å
117P47.3Very low46.7Very low136 Ų136141.4 Ų141.488%0.88377%0.767SS**  trans-37.691-168-36.137000116.8R119P117-R119 PolarHBondContact O-N 3.29Å
118Q39.8Very low45.6Very low166 Ų166136.1 Ų136.178%0.77676%0.764SS**  trans-65.1123.8-176.3-176.867.3-11.200110.2S116 R120S116-Q118 PolarHBondContact O-N 2.97Å; Q118-R120 PolarHBondContact O-N 3.28Å
119R40.9Very low44.6Very low210 Ų210137.1 Ų137.179%0.79277%0.774SS**  trans-51.9107.2-177.6-76.8167.9142.1-112.23.8112P117 S121P117-R119 PolarHBondContact O-N 3.29Å; R119-S121 PolarHBondContact O-N 3.28Å
120R50.5Low43.5Very low252 Ų252140.1 Ų140.195%0.95180%0.795SS**  trans-76.967.5161-87.8-173.6162.9-92.6-0.2110.7Q118Q118-R120 PolarHBondContact O-N 3.28Å
121S43.9Very low42.2Very low83 Ų83139.6 Ų139.658%0.5880%0.796SS**  trans-80.6147.6160.2380000110.6R119R119-S121 PolarHBondContact O-N 3.28Å
122F41.6Very low41Very low216 Ų216136.7 Ų136.795%0.94779%0.79SS**  trans-50.4147.9-176.3-53.9-94.1000113.9
123G36.9Very low39.6Very low72 Ų72134.3 Ų134.374%0.74279%0.789SS**  trans-178.1-4.7178.200000121.3
124S45.7Very low38.3Very low133 Ų133134 Ų13493%0.9379%0.792SS**  trans-175.8138163.4-91.50000113.3
125G37.9Very low37.2Very low74 Ų74135.3 Ų135.376%0.76380%0.795SS**  trans-133116157.200000109.3
126C33.9Very low36.6Very low108 Ų108133 Ų13373%0.7379%0.787SS**  trans-160.1115.6163.2-104.80000112.1
127Q35.1Very low36Very low189 Ų189139.4 Ų139.488%0.88380%0.795SS**  trans63.8143.5137.8-54.3-178.757.900120.8
128G33.5Very low35.4Very low69 Ų69144 Ų14471%0.71180%0.795SS**  trans118.958.6147.600000119.3V130G128-V130 PolarHBondContact O-N 3.38Å
129N33.1Very low35.4Very low173 Ų173141.7 Ų141.793%0.92579%0.794SS**  trans-78.7107.9156-98.41.7000109.1
130V33.1Very low34.9Very low142 Ų142139.3 Ų139.386%0.86180%0.796SS**  trans-130.8125.8169.5-172.40000112.1G128G128-V130 PolarHBondContact O-N 3.38Å
131V30.9Very low34.1Very low125 Ų125132.2 Ų132.276%0.75879%0.785SS**  trans-70.7143.6-171.7166.50000114.3
132S27.4Very low33.9Very low109 Ų109134.1 Ų134.176%0.76280%0.795SS**  trans78.2123.2148.5-76.10000124.7
133A27.3Very low33.5Very low85 Ų85130.4 Ų130.470%0.70278%0.784SS**  94.1124.5116.500000123.9
134S28.5Very low33.3Very low100 Ų100135.8 Ų135.870%0.69979%0.79SS**  trans52.4106.3138.1630000122
135N30Very low32.7Very low151 Ų151135.9 Ų135.981%0.80778%0.78SS**  164.5164.4127-92.5-55.8000110.8
136T28.3Very low32.8Very low98 Ų98141.7 Ų141.760%0.60178%0.784SS**  cis-172.3150.5-38.8-97.50000109.6
137R30.8Very low33.1Very low237 Ų237144.5 Ų144.589%0.89479%0.787SS**  trans82.2131.6175.5-40.2-168.1-169.8-113.9-6.1119.6
138R34.9Very low32.9Very low233 Ų233142.3 Ų142.388%0.87978%0.781SS**  trans-100.1163.9143.3-59.6-178.8-173.81731.7108.2
139P40Very low32.9Very low117 Ų117148.3 Ų148.376%0.7679%0.791SS**  -130138.2106.67.514.2000111.5
140I30.5Very low33.2Very low160 Ų160145.7 Ų145.782%0.82178%0.781SS**  75.1128.177.5-62.7167000113
141S32.5Very low33.6Very low103 Ų103146.6 Ų146.672%0.7278%0.78SS**  trans-108.1160.3179.8167.20000110.7
142P39.1Very low33.9Very low123 Ų123152.2 Ų152.280%0.79979%0.788SS**  trans-138.7128.7132.634.8-20.8000115.5
143L35.2Very low34.3Very low138 Ų138155.3 Ų155.372%0.72380%0.795SS**  trans6.8128.5135.1-177.771.4000119.3
144E32Very low34.6Very low184 Ų184155.1 Ų155.186%0.8680%0.801SS**  trans-150146.5136.1-145.8175.7-150.300111.1
145N33.8Very low34.8Very low135 Ų135154.4 Ų154.472%0.72281%0.809SS**  trans-100.7143.1-179.2-71.3-34.1000110.9
146K39.1Very low34.9Very low197 Ų197151.1 Ų151.186%0.85780%0.803SS**  trans-150.7120.4156.5-127.6155.1-169.4157.70113.3
147E39.9Very low35.8Very low166 Ų166157 Ų15778%0.77681%0.814SS**  trans-85.2-172.516963.1-144.8119.100111.4
148N30.5Very low36.3Very low143 Ų143155 Ų15577%0.76581%0.807SS**  trans58.274.5160.780.61.1000122
149E33.9Very low36.4Very low196 Ų196151.5 Ų151.592%0.91680%0.804SS**  trans-127.5137.1138.6-162.9164.7-142.300111.2
150T38.8Very low36.1Very low117 Ų117149 Ų14972%0.71880%0.8SS**  trans-154.5127.1-169-70.10000111.1
151L43.3Very low36.5Very low161 Ų161146.6 Ų146.684%0.84380%0.797SS**  trans59.5100.7171.2-63.6167.7000117.5
152R36.2Very low37.3Very low243 Ų243145.8 Ų145.892%0.91781%0.805SS**  -140.1157.1130-77.5-150.3169.7174.6-0.1112.7
153L36.5Very low37.4Very low175 Ų175150.1 Ų150.192%0.91681%0.805SS**  trans-65.1158.7-178.1-47.692000110.7
154G32.1Very low37.6Very low80 Ų80151 Ų15183%0.82581%0.809SS**  cis144.81173.600000109.6
155G33.1Very low37.7Very low85 Ų85150.4 Ų150.488%0.87681%0.81SS**  trans-146152.5-174.600000111.1
156A33.3Very low37.9Very low83 Ų83148 Ų14869%0.68681%0.809SS**  trans-125.7137.2-155.800000115
157R46.3Very low37.6Very low220 Ų220143.2 Ų143.283%0.8381%0.806SS**  trans71.4150.3157.9-59.5169.5-149.2-131.77.5113.8
158R41.2Very low37.5Very low196 Ų196146.7 Ų146.774%0.7481%0.812SS**  cis-161.8149.421.6-135.5169.5-134.8-89.710.9110.2
159I36.8Very low37.8Very low160 Ų160144 Ų14482%0.82181%0.81SS**  trans66131.6155.1-61151.6000118.8
160G34.2Very low37.8Very low65 Ų65144.5 Ų144.567%0.6781%0.81SS**  trans143.899.8155.500000116.3
161S38.6Very low37.5Very low109 Ų109148.2 Ų148.276%0.76282%0.819SS**  trans54.5111.5165-157.80000118.4R163S161-R163 PolarHBondContact O-N 3.35Å
162G49.3Very low37.4Very low86 Ų86151.9 Ų151.989%0.88782%0.821SS**  trans-74.4105.1178.400000113.5
163R42Very low37Very low214 Ų214148.9 Ų148.981%0.80882%0.817SS**  trans-137.8121.2167.3-70.8-171.8175.6-177.7-1.5112S161S161-R163 PolarHBondContact O-N 3.35Å
164I38.3Very low37.3Very low157 Ų157144.7 Ų144.781%0.80581%0.808SS**  trans64.6110.4157.3-50.5163.8000117.1
165I34.6Very low37.4Very low171 Ų171150.9 Ų150.988%0.87781%0.807SS**  trans-125.1118138-64-179.5000107.1A167I165-A167 PolarHBondContact O-N 3.22Å
166A37.9Very low37.8Very low83 Ų83151.3 Ų151.369%0.68679%0.794SS**  trans-85.2103.6171.500000109.4R168A166-R168 PolarHBondContact O-N 3.46Å
167A34.1Very low38.3Very low97 Ų97154.8 Ų154.880%0.80280%0.796SS**PPolyproline II helixtrans-67.8116.1170.300000109.3I165I165-A167 PolarHBondContact O-N 3.22Å
168R35.8Very low38.3Very low239 Ų239150.9 Ų150.990%0.90279%0.785SS**PPolyproline II helixtrans-68.5148.6174.7-65.8178-179.3149.2-0.2109.8A166A166-R168 PolarHBondContact O-N 3.46Å
169A37.6Very low38.5Very low88 Ų88148.3 Ų148.373%0.72778%0.781SS**PPolyproline II helixtrans-64.1139.5173.200000111.1
170F33.8Very low38.9Very low206 Ų206147.8 Ų147.890%0.90477%0.769SS**  trans-179.997.2130.7-102.2-67.4000110.6
171E32.5Very low39.5Very low194 Ų194149.4 Ų149.491%0.90776%0.759SS**  trans-145.8118.6143.5-166.7160.1-129.200109.1
172R40.6Very low40.1Very low239 Ų239151 Ų15190%0.90275%0.748SS**  trans-111.599176.3172.9-166.5-83-164.2-5.9107.3
173E28.9Very low40.2Very low179 Ų179152.9 Ų152.984%0.83673%0.734SS**  trans-146152.6157.2-138.3-179.9-136.200111.3
174A42.1Very low40.6Very low87 Ų87150.7 Ų150.772%0.71973%0.726SS**  trans-111.8138.9-161.600000113.1
175R35.6Very low41.4Very low211 Ų211147.3 Ų147.380%0.79671%0.71SS**  trans-136.4105.9164-70.4-164.7176.6130.612.7111.8E177R175-E177 PolarHBondContact O-N 3.28Å
176P40Very low42.3Very low93 Ų93146.7 Ų146.760%0.60470%0.701SS**THydrogen-bonded Turntrans-82.240.3-172.735.9-38.2000113.4R180P176-R180 PolarHBondContact O-NH1 3.45Å
177E44.5Very low43.1Very low157 Ų157149 Ų14973%0.73470%0.696SS**THydrogen-bonded Turntrans-102.6-41.4-171.9-169.3162.5-148.700112.4R175 E179R175-E177 PolarHBondContact O-N 3.28Å; E177-E179 PolarHBondContact O-N 3.34Å; E177-E179 VanDerWaalsContact O-N 3.09Å
178K47Very low44.1Very low138 Ų138148.6 Ų148.660%0.668%0.68SS**THydrogen-bonded Turntrans-79.410.4-173.1-146.6170.3-174.6166.70115.3R182K178-R182 PolarHBondContact O-NH1 3.26Å
179E45.3Very low45Very low142 Ų142143.8 Ų143.866%0.66467%0.665SS**THydrogen-bonded Turntrans-94.1-48.5177.3-174.2168.8-13700110.8E177 E181 R182 E183E177-E179 PolarHBondContact O-N 3.34Å; E177-E179 VanDerWaalsContact O-N 3.09Å; E179-E181 PolarHBondContact O-N 3.14Å; E179-E181 VanDerWaalsContact O-N 3.14Å; E179-R182 PolarHBondContact O-N 2.84Å; E179-R182 VanDerWaalsContact O-N 3.07Å; E179-E183 PolarHBondContact O-N 3.34Å; E179-E183 VanDerWaalsContact O-N 3.12Å
180R44.9Very low45.7Very low149 Ų149148.1 Ų148.156%0.56266%0.663SS**Hα-helixtrans-62.4-19.8177.9-67.317917283.84.5114.2P176 R184P176-R180 PolarHBondContact O-NH1 3.45Å; R180-R184 WeakPolarHBondContact O-CG 3.46Å; R180-R184 PolarHBondContact O-NE 3.25Å
181E45.3Very low46.2Very low99 Ų99144.1 Ų144.146%0.46365%0.645SS.*Hα-helixtrans-67.3-54.2170.8-171.5167-122.200110.7E179 E183 R184 D185E179-E181 PolarHBondContact O-N 3.14Å; E179-E181 VanDerWaalsContact O-N 3.14Å; E181-E183 PolarHBondContact O-N 2.82Å; E181-R184 PolarHBondContact O-N 3.23Å; E181-D185 PolarHBondContact O-N 3.35Å
182R51.8Low47Very low142 Ų142144.1 Ų144.154%0.53664%0.637SS.*Hα-helixtrans-66.6-38-178.2-64179.5172.4101.6-12.4112.8K178 E179 R184 D185 F186K178-R182 PolarHBondContact O-NH1 3.26Å; E179-R182 PolarHBondContact O-N 2.84Å; E179-R182 VanDerWaalsContact O-N 3.07Å; R182-R184 VanDerWaalsContact C-N 3.26Å; R182-R184 PolarHBondContact O-N 3.15Å; R182-D185 PolarHBondContact O-N 3.38Å; R182-F186 WeakPolarHBondContact O-CD2 3.36Å; R182-F186 PolarHBondContact O-N 3.38Å; R182-F186 VanDerWaalsContact O-N 3.13Å
183E51.2Low47.5Very low125 Ų125143.6 Ų143.658%0.58464%0.635SS**Hα-helixtrans-58.7-39178.1-165.3-166.3172.500112E179 E181 F186 K187E179-E183 PolarHBondContact O-N 3.34Å; E179-E183 VanDerWaalsContact O-N 3.12Å; E181-E183 PolarHBondContact O-N 2.82Å; E183-F186 PolarHBondContact O-N 2.76Å; E183-K187 PolarHBondContact O-N 2.86Å
184R50Low48.2Very low168 Ų168140.9 Ų140.963%0.63462%0.622SS**Hα-helixtrans-65.5-44.3177-72.2178.7-70.4178.65.1111.7R180 E181 R182 F186 K187 D188R180-R184 WeakPolarHBondContact O-CG 3.46Å; R180-R184 PolarHBondContact O-NE 3.25Å; E181-R184 PolarHBondContact O-N 3.23Å; R182-R184 VanDerWaalsContact C-N 3.26Å; R182-R184 PolarHBondContact O-N 3.15Å; R184-F186 VanDerWaalsContact C-N 3.32Å; R184-F186 PolarHBondContact O-N 3.34Å; R184-K187 PolarHBondContact O-N 3.08Å; R184-K187 VanDerWaalsContact O-N 3.1Å; R184-D188 PolarHBondContact O-N 3.03Å
185D55.9Low48Very low87 Ų87146.7 Ų146.747%0.46563%0.627SS.*Hα-helixtrans-62.1-36.3178.2-69.2-21.2000113.3E181 R182 K189E181-D185 PolarHBondContact O-N 3.35Å; R182-D185 PolarHBondContact O-N 3.38Å; D185-K189 VanDerWaalsContact O-CD 3.24Å; D185-K189 WeakPolarHBondContact O-CD 3.41Å; D185-K189 WeakPolarHBondContact O-CG 3.23Å; D185-K189 PolarHBondContact O-N 3.1Å
186F53.5Low48.6Very low158 Ų158139.8 Ų139.869%0.69362%0.621SS**Hα-helixtrans-69.6-33.6174.9-90.2-84.8000112.3R182 E183 R184R182-F186 WeakPolarHBondContact O-CD2 3.36Å; R182-F186 PolarHBondContact O-N 3.38Å; R182-F186 VanDerWaalsContact O-N 3.13Å; E183-F186 PolarHBondContact O-N 2.76Å; R184-F186 VanDerWaalsContact C-N 3.32Å; R184-F186 PolarHBondContact O-N 3.34Å
187K54.9Low48.6Very low132 Ų132142.2 Ų142.257%0.57463%0.629SS**Hα-helixtrans-75.1-42.1179.7-154.3165.7-170.8167.20112.2E183 R184 K189 R190 F191E183-K187 PolarHBondContact O-N 2.86Å; R184-K187 PolarHBondContact O-N 3.08Å; R184-K187 VanDerWaalsContact O-N 3.1Å; K187-K189 VanDerWaalsContact C-N 3.35Å; K187-K189 PolarHBondContact O-N 2.83Å; K187-R190 WeakPolarHBondContact O-CB 3.5Å; K187-R190 PolarHBondContact O-N 2.81Å; K187-R190 VanDerWaalsContact O-N 3.12Å; K187-F191 HydrophobicContact CG-CE2 4.24Å; K187-F191 WeakPolarHBondContact O-CD2 3.4Å; K187-F191 PolarHBondContact O-N 3.26Å
188D55.2Low48.5Very low88 Ų88143.4 Ų143.447%0.47163%0.632SS.*Hα-helixtrans-65.5-37.1179.4-157.170.4000112.4R184 R190 F191 R192R184-D188 PolarHBondContact O-N 3.03Å; D188-R190 PolarHBondContact O-N 3.4Å; D188-F191 PolarHBondContact O-N 3.15Å; D188-R192 PolarHBondContact O-N 3.25Å; D188-R192 IonicContact OD2-CZ 2.73Å; D188-R192 IonicContact OD2-NH2 3.13Å; D188-R192 PolarHBondContact OD2-NH2 3.36Å
189K54.3Low48.6Very low138 Ų138147.4 Ų147.460%0.664%0.643SS**Hα-helixtrans-63.1-23.3173.4-73.2167.4-169.1160.90113.7D185 K187D185-K189 VanDerWaalsContact O-CD 3.24Å; D185-K189 WeakPolarHBondContact O-CD 3.41Å; D185-K189 WeakPolarHBondContact O-CG 3.23Å; D185-K189 PolarHBondContact O-N 3.1Å; K187-K189 VanDerWaalsContact C-N 3.35Å; K187-K189 PolarHBondContact O-N 2.83Å
190R51.2Low48.5Very low178 Ų178146.3 Ų146.367%0.67265%0.646SS**Hα-helixtrans-76.6-52.8177.1-164.3174.5-174.6161.54.4111K187 D188 R192 R193K187-R190 WeakPolarHBondContact O-CB 3.5Å; K187-R190 PolarHBondContact O-N 2.81Å; K187-R190 VanDerWaalsContact O-N 3.12Å; D188-R190 PolarHBondContact O-N 3.4Å; R190-R192 VanDerWaalsContact C-N 3.29Å; R190-R192 PolarHBondContact O-N 2.86Å; R190-R193 PolarHBondContact O-N 2.92Å; R190-R193 VanDerWaalsContact O-N 3.08Å
191F44.3Very low48.1Very low122 Ų122147.8 Ų147.854%0.53566%0.657SS.*Hα-helixtrans-59.4-37.2-179.5-76.8-72.8000113.2K187 D188 R193 E194K187-F191 HydrophobicContact CG-CE2 4.24Å; K187-F191 WeakPolarHBondContact O-CD2 3.4Å; K187-F191 PolarHBondContact O-N 3.26Å; D188-F191 PolarHBondContact O-N 3.15Å; F191-R193 PolarHBondContact O-N 3.35Å; F191-E194 PolarHBondContact O-N 3.06Å
192R51.1Low48Very low194 Ų194149 Ų14973%0.73268%0.677SS**Hα-helixtrans-66.4-16.1179-156.5176.3-56.6-175.15.4114.3D188 R190D188-R192 PolarHBondContact O-N 3.25Å; D188-R192 IonicContact OD2-CZ 2.73Å; D188-R192 IonicContact OD2-NH2 3.13Å; D188-R192 PolarHBondContact OD2-NH2 3.36Å; R190-R192 VanDerWaalsContact C-N 3.29Å; R190-R192 PolarHBondContact O-N 2.86Å
193R51.1Low47.4Very low229 Ų229150.9 Ų150.986%0.86469%0.691SS**Hα-helixtrans-95.7-18.3177.2-170173.2-70.7-147.4-2.9113.2R190 F191R190-R193 PolarHBondContact O-N 2.92Å; R190-R193 VanDerWaalsContact O-N 3.08Å; F191-R193 PolarHBondContact O-N 3.35Å
194E42.2Very low47Very low121 Ų121155.4 Ų155.457%0.56570%0.703SS**Hα-helixtrans-98.7-16.4-165.6-155.2157.6-128.600113.9F191F191-E194 PolarHBondContact O-N 3.06Å
195Y39.5Very low46.6Very low210 Ų210157.4 Ų157.482%0.82471%0.711SS**SBendtrans-119.319.6176.8-80.2-89.3000113.4
196G48.1Very low46Very low65 Ų65165.6 Ų165.667%0.6774%0.735SS**SBendtrans-88.5-19.6-169.300000116.9
197D40Very low45.4Very low144 Ų144164.1 Ų164.177%0.7773%0.734SS**  trans-148.9104.8-175.8-171.42.7000113
198K40.9Very low44.3Very low183 Ų183164 Ų16480%0.79674%0.74SS**SBendtrans-151.788153.2-77-150.1176.5-163.90110.4
199R48.6Very low43.5Very low222 Ų222165.3 Ų165.384%0.83876%0.756SS**SBendtrans79.7140.5176.7-48.3162.5-76.3-158.8-2112
200V43.9Very low43.1Very low119 Ų119169.5 Ų169.572%0.72177%0.769SS**SBendcis-139.312018.7176.60000110.5
201F37.7Very low42.7Very low180 Ų180165.3 Ų165.379%0.78977%0.773SS**SBendtrans-165.54.4152.2-126.6-81.1000116.7E203F201-E203 PolarHBondContact O-N 3.28Å; F201-E203 VanDerWaalsContact O-N 3.14Å
202S42.3Very low42.8Very low125 Ų125169.1 Ų169.187%0.87479%0.792SS**G310 helixtrans-67-12.2-178.645.40000115.2R204S202-R204 PolarHBondContact O-N 3.28Å
203E39.8Very low42.6Very low180 Ų180167.6 Ų167.684%0.84179%0.793SS**G310 helixtrans-95.116.1-165-155.3162-149.400114.5F201F201-E203 PolarHBondContact O-N 3.28Å; F201-E203 VanDerWaalsContact O-N 3.14Å
204R41.9Very low42.8Very low221 Ų221162 Ų16283%0.83478%0.777SS**G310 helixtrans-14015.9-176.5-119.4175.9-152.2-122.50.2118.9S202S202-R204 PolarHBondContact O-N 3.28Å
205R41.4Very low43.9Very low210 Ų210159.5 Ų159.579%0.79277%0.772SS**  trans-132.281160.8-75.1-158.6-179.598.20.9112.2
206R43.2Very low44.6Very low258 Ų258156.5 Ų156.597%0.97477%0.765SS**  trans-92.373.2151.1-79.9-174.8174.7160.8-1.8108.8
207N42.3Very low45.1Very low127 Ų127162.9 Ų162.968%0.67977%0.769SS**  trans-173.898.1150.9-165.57.1000108.8
208D30.8Very low45.4Very low131 Ų131162.7 Ų162.770%0.70176%0.762SS**  trans-156.555.5169.7-90.1-49.7000107.7Y210D208-Y210 VanDerWaalsContact C-N 3.25Å; D208-Y210 PolarHBondContact O-N 3.23Å
209S38.9Very low45.9Very low114 Ų114158.3 Ų158.380%0.79775%0.754SS**  trans-89.135.7-177.4-55.10000112.9
210Y46.3Very low46.3Very low226 Ų226150.4 Ų150.489%0.88674%0.736SS**  trans-15951.7-173.7-155.1-107.1000114.8D208D208-Y210 VanDerWaalsContact C-N 3.25Å; D208-Y210 PolarHBondContact O-N 3.23Å
211A42.8Very low46.9Very low90 Ų90147.3 Ų147.374%0.74473%0.728SS**SBendtrans-150.3134.9169.900000111.3
212E45.2Very low47.7Very low203 Ų203144 Ų14495%0.94973%0.725SS**  trans69.944.8-176.8-58.8-171-170.900116.6
213E47.2Very low48.5Very low161 Ų161143.8 Ų143.875%0.75272%0.719SS**PPolyproline II helixtrans-79.2130.5131.8-174.4154.1-132.900107.2
214E56.4Low49.4Very low111 Ų111137.8 Ų137.852%0.51970%0.697SS.*PPolyproline II helixtrans-60.5134.8169.1-73-169.214900108E216 S219E214-E216 PolarHBondContact O-N 3.19Å; E214-S219 PolarHBondContact OE2-OG 2.96Å
215P64.6Low50.4Low70 Ų70137.2 Ų137.246%0.45570%0.703SS.*PPolyproline II helixtrans-53.4129.6179.6-25.634.1000110.3W217 F218P215-W217 HydrophobicContact CB-CD2 4.42Å; P215-W217 HydrophobicContact CB-CG 4.29Å; P215-W217 HydrophobicContact CB-CZ2 4.4Å; P215-W217 PolarHBondContact O-N 3.08Å; P215-F218 VanDerWaalsContact O-CB 3.29Å; P215-F218 WeakPolarHBondContact O-CB 3.45Å; P215-F218 PolarHBondContact O-N 3.44Å
216E54.9Low51.4Low147 Ų147131.8 Ų131.869%0.68770%0.698SS**Hα-helixtrans-52.4-35.6-167.9-64176.9127.400112.4E214 F218 S219 A220E214-E216 PolarHBondContact O-N 3.19Å; E216-F218 PolarHBondContact O-N 3.39Å; E216-S219 PolarHBondContact O-N 2.86Å; E216-A220 CarbonylContact O-C 3.51Å; E216-A220 WeakPolarHBondContact O-CA 3.33Å; E216-A220 PolarHBondContact O-N 3.1Å
217W59Low52.5Low199 Ų199124.5 Ų124.575%0.75468%0.675SS**Hα-helixtrans-58.9-11174.965.4-98.9000116P215P215-W217 HydrophobicContact CB-CD2 4.42Å; P215-W217 HydrophobicContact CB-CG 4.29Å; P215-W217 HydrophobicContact CB-CZ2 4.4Å; P215-W217 PolarHBondContact O-N 3.08Å
218F45.6Very low53.5Low140 Ų140124.3 Ų124.361%0.61468%0.678SS**Hα-helixtrans-95.9-32.2179.2-158.3-105.1000113.2P215 E216P215-F218 VanDerWaalsContact O-CB 3.29Å; P215-F218 WeakPolarHBondContact O-CB 3.45Å; P215-F218 PolarHBondContact O-N 3.44Å; E216-F218 PolarHBondContact O-N 3.39Å
219S51.1Low55.1Low90 Ų90124.8 Ų124.863%0.62968%0.679SS**Hα-helixtrans-115.9-14.9-176.5-88.70000114.1E214 E216E214-S219 PolarHBondContact OE2-OG 2.96Å; E216-S219 PolarHBondContact O-N 2.86Å
220A57.8Low56.3Low57 Ų57127.1 Ų127.147%0.47168%0.677SS.*SBendtrans-128110.1166.600000110.2E216E216-A220 CarbonylContact O-C 3.51Å; E216-A220 WeakPolarHBondContact O-CA 3.33Å; E216-A220 PolarHBondContact O-N 3.1Å
221G56Low56.8Low54 Ų54124 Ų12456%0.55768%0.675SS**  trans-65.5152.7166.200000110.7T223G221-T223 PolarHBondContact O-N 3.32Å
222P53.8Low56.9Low109 Ų109125.9 Ų125.971%0.70867%0.671SS**  trans-53.9125-175.621.7-33.4000111S224 E227P222-S224 VanDerWaalsContact C-N 3.35Å; P222-E227 WeakPolarHBondContact CA-OE2 3.46Å; P222-E227 HydrophobicContact CB-CB 4.46Å
223T60.5Low56.9Low122 Ų122119 Ų11975%0.74866%0.655SS**SBendtrans-81.9-18.9-172.366.10000112.1G221 E227G221-T223 PolarHBondContact O-N 3.32Å; T223-E227 PolarHBondContact N-OE2 3.12Å; T223-E227 PolarHBondContact OG1-OE2 2.9Å
224S58.1Low57Low54 Ų54121.1 Ų121.138%0.37866%0.662SS.*SBendtrans-130.7146173.5-178.80000112.2P222 S226 E227P222-S224 VanDerWaalsContact C-N 3.35Å; S224-S226 PolarHBondContact O-N 3.09Å; S224-S226 PolarHBondContact OG-N 3.33Å; S224-S226 PolarHBondContact OG-OG 3.16Å; S224-E227 PolarHBondContact N-OE2 3.46Å; S224-E227 WeakPolarHBondContact O-CB 3.32Å; S224-E227 PolarHBondContact O-N 2.77Å
225Q63.3Low55.9Low209 Ų209120.4 Ų120.498%0.97766%0.661SS**THydrogen-bonded Turntrans-66.9-14.6171.8-167.4176.75.600113.1
226S61.4Low55.1Low96 Ų96122.7 Ų122.767%0.67167%0.67SS**THydrogen-bonded Turntrans-92.5-0.2175.867.20000114.1S224 T228S224-S226 PolarHBondContact O-N 3.09Å; S224-S226 PolarHBondContact OG-N 3.33Å; S224-S226 PolarHBondContact OG-OG 3.16Å; S226-T228 PolarHBondContact O-N 3.07Å; S226-T228 PolarHBondContact O-OG1 2.79Å
227E67.1Low54.7Low105 Ų105123 Ų12349%0.49167%0.669SS.*  trans-77.1102.2-174.1-164.4154.7-139.900110P222 T223 S224P222-E227 WeakPolarHBondContact CA-OE2 3.46Å; P222-E227 HydrophobicContact CB-CB 4.46Å; T223-E227 PolarHBondContact N-OE2 3.12Å; T223-E227 PolarHBondContact OG1-OE2 2.9Å; S224-E227 PolarHBondContact N-OE2 3.46Å; S224-E227 WeakPolarHBondContact O-CB 3.32Å; S224-E227 PolarHBondContact O-N 2.77Å
228T62.4Low54.3Low122 Ų122120.9 Ų120.975%0.74867%0.671SS**  trans-102.6120.2-175.4-560000109.6S226 E230S226-T228 PolarHBondContact O-N 3.07Å; S226-T228 PolarHBondContact O-OG1 2.79Å; T228-E230 PolarHBondContact O-N 3.17Å
229I65.1Low54.4Low141 Ų141119.8 Ų119.872%0.72367%0.671SS**  trans-69122.3177.257.3173.6000110.9L231I229-L231 PolarHBondContact O-N 2.9Å
230E63.7Low54.3Low163 Ų163123.7 Ų123.776%0.76268%0.679SS**  trans-79.1114.5174.9-66.7-169-178.500110T228 I232T228-E230 PolarHBondContact O-N 3.17Å; E230-I232 HydrophobicContact CB-CG1 4.17Å; E230-I232 PolarHBondContact O-N 3.34Å
231L56.2Low53.5Low160 Ų160130 Ų13084%0.83870%0.699SS**  trans-78.370.2177.7-66.1177.6000111I229 G233I229-L231 PolarHBondContact O-N 2.9Å; L231-G233 VanDerWaalsContact C-N 3.3Å; L231-G233 PolarHBondContact O-N 3.19Å
232I45.4Very low52.8Low131 Ų131134 Ų13467%0.67271%0.708SS**  trans-71.185.6174.6-56179.2000109.2E230E230-I232 HydrophobicContact CB-CG1 4.17Å; E230-I232 PolarHBondContact O-N 3.34Å
233G45.4Very low52.2Low58 Ų58138.5 Ų138.560%0.59871%0.71SS**  trans-82.112217500000112.2L231L231-G233 VanDerWaalsContact C-N 3.3Å; L231-G233 PolarHBondContact O-N 3.19Å
234F48.6Very low51.2Low206 Ų206143.5 Ų143.590%0.90472%0.716SS**  trans45.669.3160.8-60.2-80.3000116.3
235D34.8Very low50.1Low95 Ų95151.1 Ų151.151%0.50874%0.742SS.*  trans-72.8127.4167.3-164.7-35.6000110.3K237D235-K237 HydrophobicContact CB-CG 4.45Å; D235-K237 VanDerWaalsContact CG-CE 3.45Å; D235-K237 PolarHBondContact O-N 3.34Å; D235-K237 WeakPolarHBondContact OD1-CE 3.43Å; D235-K237 VanDerWaalsContact OD1-CG 3.22Å; D235-K237 WeakPolarHBondContact OD1-CG 3.33Å; D235-K237 IonicContact OD1-NZ 2.69Å; D235-K237 PolarHBondContact OD1-NZ 2.87Å; D235-K237 WeakPolarHBondContact OD2-CE 3.4Å; D235-K237 IonicContact OD2-NZ 3.48Å; D235-K237 PolarHBondContact OD2-NZ 2.87Å
236D47.4Very low48.5Very low119 Ų119147.2 Ų147.264%0.63673%0.732SS**G310 helixtrans-63.95.4-165.3-77.2-60000116.5I238 L239D236-I238 PolarHBondContact O-N 3.34Å; D236-L239 PolarHBondContact O-N 3.1Å
237K45.5Very low47.3Very low153 Ų153151.4 Ų151.467%0.66574%0.739SS**G310 helixtrans-61.9-14-169.5-42.9-160.5-163.6-52.20115D235D235-K237 HydrophobicContact CB-CG 4.45Å; D235-K237 VanDerWaalsContact CG-CE 3.45Å; D235-K237 PolarHBondContact O-N 3.34Å; D235-K237 WeakPolarHBondContact OD1-CE 3.43Å; D235-K237 VanDerWaalsContact OD1-CG 3.22Å; D235-K237 WeakPolarHBondContact OD1-CG 3.33Å; D235-K237 IonicContact OD1-NZ 2.69Å; D235-K237 PolarHBondContact OD1-NZ 2.87Å; D235-K237 WeakPolarHBondContact OD2-CE 3.4Å; D235-K237 IonicContact OD2-NZ 3.48Å; D235-K237 PolarHBondContact OD2-NZ 2.87Å
238I50.6Low45.7Very low154 Ų154157.5 Ų157.579%0.7976%0.757SS**G310 helixtrans-77.9-19.7176-58.6177.6000111.7D236D236-I238 PolarHBondContact O-N 3.34Å
239L48.9Very low44.1Very low118 Ų118156.5 Ų156.562%0.61876%0.755SS**SBendtrans-88.3-15.6-171.4-64.9178.3000115.5D236D236-L239 PolarHBondContact O-N 3.1Å
240E49.1Very low42.6Very low172 Ų172160.1 Ų160.180%0.80476%0.76SS**SBendtrans-78.1-31.2-178-72.2-146.2131.200114.4D242E240-D242 PolarHBondContact O-N 3.18Å
241E40.4Very low41.2Very low188 Ų188160.7 Ų160.788%0.87976%0.76SS**THydrogen-bonded Turntrans-72.1-29-171-167.9161.3-140.800113.2R243E241-R243 VanDerWaalsContact C-N 3.27Å; E241-R243 PolarHBondContact O-N 3.38Å
242D41.7Very low40.1Very low140 Ų140160.3 Ų160.375%0.74975%0.754SS**THydrogen-bonded Turntrans-82.510.2-175.5-164.941.4000114.4E240E240-D242 PolarHBondContact O-N 3.18Å
243R41.7Very low39.4Very low202 Ų202159.6 Ų159.676%0.76276%0.755SS**  trans-111.228.3-166.4-72.6-74.5158.6152.6-0.8116.7E241E241-R243 VanDerWaalsContact C-N 3.27Å; E241-R243 PolarHBondContact O-N 3.38Å
244R38Very low38.5Very low228 Ų228162.5 Ų162.586%0.8676%0.758SS**SBendtrans-132.960.6178.4-63.5-169.1-174.8-175.14.1117.6
245K35.1Very low37.6Very low213 Ų213157.4 Ų157.493%0.92675%0.747SS**  -178.6140125.5-95.2147.2-168.4170.60112.6
246T31.1Very low37.4Very low127 Ų127159 Ų15978%0.77976%0.76SS**  trans-133.6166.3-169.5-8.40000112.6
247K36.3Very low36.7Very low184 Ų184163 Ų16380%0.877%0.772SS**  trans72.1139.3164.5-68.4164.7-178.5174.90114.5
248R33.2Very low36.2Very low234 Ų234164.4 Ų164.488%0.88378%0.781SS**  cis-133.9171.82-86.3127.9170.3-172.4-1.7107.8
249S28Very low35.1Very low101 Ų101161.2 Ų161.271%0.70678%0.777SS**  cis-165.3140.429.3-156.50000113.3
250R33Very low34.4Very low216 Ų216162.4 Ų162.482%0.81579%0.789SS**  trans43.7127.4132-148.1169.5-163.2-168.46.5118.4
251K34.4Very low33.4Very low176 Ų176158.9 Ų158.977%0.76579%0.79SS**  cis-164.1159.443.3-150.7167.9-174.9-169.70113.5
252Q33.9Very low32.9Very low151 Ų151155 Ų15571%0.70678%0.782SS**  trans-48.5171.8170.9-88.7171.6-69.900117.1D254Q252-D254 PolarHBondContact NE2-OD2 2.95Å
253T29.8Very low32.3Very low116 Ų116156.4 Ų156.471%0.71279%0.79SS**  cis-151.8138.942.650.30000116.7
254D27.7Very low31.5Very low120 Ų120150.3 Ų150.364%0.64279%0.79SS**  46.9157.6121.8-40.8-55.8000121.2Q252Q252-D254 PolarHBondContact NE2-OD2 2.95Å
255S28.4Very low30.6Very low99 Ų99148.4 Ų148.469%0.69279%0.79SS**  cis-157.8149.819.879.60000112.1
256V30.7Very low30.2Very low127 Ų127145.4 Ų145.477%0.7778%0.784SS**  71.4133.894.1173.40000114.5
257K32.8Very low30.5Very low203 Ų203144 Ų14488%0.88378%0.777SS**  cis-156.9-169.12.8-132.1178.1-172.6-175.50113
258E34.8Very low30.2Very low183 Ų183143.5 Ų143.586%0.85578%0.777SS**  trans-121.6166.2-178-175.4-176168.600112.5
259A28.6Very low30Very low87 Ų87138.7 Ų138.772%0.71977%0.765SS**  trans99.9105.5154.200000122.6
260V33.1Very low30.3Very low144 Ų144140.8 Ų140.887%0.87376%0.763SS**  trans20.1126.4130.3-172.10000122.1
261A29.5Very low29.9Very low98 Ų98135.1 Ų135.181%0.8176%0.757SS**  trans-173.3170.4139.400000112
262C29Very low29.7Very low107 Ų107132.7 Ų132.772%0.72376%0.757SS**  trans-127.6174.2-166.8-57.50000116.3
263N28.8Very low29.4Very low169 Ų169129.4 Ų129.490%0.90476%0.756SS**  trans85.8140.6167.7-41.2-35000116.5
264G25.3Very low29.5Very low74 Ų74131.2 Ų131.276%0.76376%0.76SS**  cis178.1169.9-700000114.4
265E19.5Very low29.5Very low187 Ų187133.6 Ų133.687%0.87477%0.767SS**  trans74.4118.3167.1-65.3-169.2102.600124.7
266L25.4Very low29.5Very low151 Ų151132.1 Ų132.179%0.79176%0.761SS**  36.1165128.7-86.177.6000124.5
267P39.3Very low29.3Very low97 Ų97132.6 Ų132.663%0.6376%0.759SS**  cis-144.4-174.1-30.541.5-22.5000116.8
268E28.7Very low29.4Very low174 Ų174130.8 Ų130.881%0.81375%0.754SS**  trans67.2157.8151.2-80.1-178-174.700121.3
269E30.4Very low29.2Very low132 Ų132130.2 Ų130.262%0.61775%0.751SS**  cis-155.8163.7-0.1-136.5-155.8157.700114.1
270Q32.3Very low29.4Very low145 Ų145131.7 Ų131.768%0.67875%0.751SS**  trans58.8158.3148.9-88.1-174.248.200121.6
271S25.5Very low29.6Very low98 Ų98129.9 Ų129.969%0.68574%0.742SS**  cis-167.6173.93.143.20000109.9
272V29.4Very low29.5Very low125 Ų125134.3 Ų134.376%0.75875%0.746SS**  cis-168.9156-24.61430000108.6
273A28.1Very low29.8Very low82 Ų82134 Ų13468%0.67874%0.742SS**  trans73.4149.9160.100000121.2
274L31.9Very low29.8Very low153 Ų153132.6 Ų132.680%0.80174%0.735SS**  cis-169.6176.8-20.1-94.5-170.1000105.1
275Q28.1Very low30.1Very low170 Ų170136.2 Ų136.279%0.79474%0.736SS**  cis-160-1772.6-135179.2-52.800106
276A29Very low31.3Very low68 Ų68135.5 Ų135.556%0.56274%0.737SS**  cis-159.6-176.9-1.900000109.1
277D26.8Very low31.6Very low137 Ų137133.2 Ų133.273%0.73373%0.732SS**  trans54.2125.4159.5-86.739.1000121.3
278Q33.5Very low31.4Very low165 Ų165136 Ų13677%0.77174%0.741SS**  cis-151168.5-4.3-141.9179.698.400112
279E30.2Very low31.9Very low172 Ų172133.5 Ų133.580%0.80474%0.74SS**  trans-65.5169.2-168.5-69.1-168.6117.400116.4
280V34.5Very low32Very low117 Ų117131.9 Ų131.971%0.70974%0.743SS**  cis-177.8170-5.4135.80000106.4
281P35.8Very low32.8Very low107 Ų107130.8 Ų130.870%0.69576%0.759SS**  cis-116.8161.2-5.617.94.4000115.3
282H28.6Very low33.7Very low191 Ų191128.9 Ų128.988%0.88476%0.755SS**  trans-130.6124.2156.5-105.9-74.1000109.7
283P35.1Very low34.5Very low99 Ų99130.7 Ų130.764%0.64376%0.76SS**  trans-106.5149.2151.636-28.4000110.1
284D27.9Very low35.9Very low141 Ų141134.2 Ų134.275%0.75476%0.76SS**  cis-151.6147.1-15.9-107.7-46.9000108.8
285L31.6Very low37.7Very low150 Ų150131.1 Ų131.179%0.78575%0.745SS**  trans43.391.3156.3-56176.6000118.9
286L44.3Very low39.4Very low172 Ų172129.6 Ų129.690%0.90174%0.736SS**PPolyproline II helixtrans-93.1127.1131.9-76.2177.4000108.8
287P33.1Very low41.4Very low103 Ų103131.6 Ų131.667%0.66974%0.737SS**PPolyproline II helixtrans-88.8157.4144.8-2.522.7000109.6
288D34.1Very low43.4Very low156 Ų156129.4 Ų129.483%0.83472%0.722SS**PPolyproline II helixtrans-53134.7-175.7-64.3-75.3000113.9S290D288-S290 PolarHBondContact O-N 3.47Å; D288-S290 VanDerWaalsContact O-N 3.1Å
289P40.2Very low44.8Very low121 Ų121128 Ų12879%0.78671%0.714SS**  trans-63.7110.6148.329.6-29.2000106.5
290S32.2Very low46.6Very low98 Ų98125.1 Ų125.169%0.68570%0.699SS**  trans-56.9167.7173.959.10000110.9D288 G292D288-S290 PolarHBondContact O-N 3.47Å; D288-S290 VanDerWaalsContact O-N 3.1Å; S290-G292 PolarHBondContact O-N 3.46Å
291A49.3Very low48.2Very low121 Ų121123.3 Ų123.3100%169%0.685SS**SBendtrans-64.584.4172.900000110.4
292G44.9Very low49.4Very low59 Ų59123.3 Ų123.361%0.60868%0.679SS**  trans-146.9118.3-171.800000110.3S290S290-G292 PolarHBondContact O-N 3.46Å
293D46.1Very low50.7Low163 Ų163122.6 Ų122.687%0.87268%0.676SS**  trans-7135.3179.6-59.5-35.1000121.1D295D293-D295 PolarHBondContact O-N 3.39Å; D293-D295 VanDerWaalsContact O-N 3.15Å
294F56.8Low51.9Low155 Ų155124.5 Ų124.568%0.6867%0.674SS**  trans-62.2105.5170.4-179.4-87.9000111.4F296F294-F296 HydrophobicContact CD1-CD2 4.18Å; F294-F296 HydrophobicContact CD1-CE2 4.06Å; F294-F296 HydrophobicContact CD1-CZ 4.27Å; F294-F296 HydrophobicContact CE1-CD1 4.33Å; F294-F296 HydrophobicContact CE1-CE1 4.29Å; F294-F296 HydrophobicContact CE1-CG 4.48Å; F294-F296 HydrophobicContact CE1-CZ 4.41Å; F294-F296 PolarHBondContact O-N 2.84Å
295D68.6Low53.4Low89 Ų89121 Ų12148%0.47666%0.658SS.*  trans-74.4118.9174.7-176.68.6000111.5D293 N297 E298D293-D295 PolarHBondContact O-N 3.39Å; D293-D295 VanDerWaalsContact O-N 3.15Å; D295-N297 PolarHBondContact O-N 3.46Å; D295-N297 WeakPolarHBondContact OD1-CB 3.46Å; D295-N297 PolarHBondContact OD1-N 3.12Å; D295-E298 PolarHBondContact O-N 3.26Å
296F64.8Low54.6Low137 Ų137119.6 Ų119.660%0.60165%0.649SS**Hα-helixtrans-66.6-18.9176.9-77.2-96.1000113.5F294 F299 F300F294-F296 HydrophobicContact CD1-CD2 4.18Å; F294-F296 HydrophobicContact CD1-CE2 4.06Å; F294-F296 HydrophobicContact CD1-CZ 4.27Å; F294-F296 HydrophobicContact CE1-CD1 4.33Å; F294-F296 HydrophobicContact CE1-CE1 4.29Å; F294-F296 HydrophobicContact CE1-CG 4.48Å; F294-F296 HydrophobicContact CE1-CZ 4.41Å; F294-F296 PolarHBondContact O-N 2.84Å; F296-F299 WeakPolarHBondContact O-CB 3.39Å; F296-F299 PolarHBondContact O-N 3.3Å; F296-F300 WeakPolarHBondContact O-CD2 3.38Å
297N70.4Confident54.7Low111 Ų111116.9 Ų116.959%0.59464%0.642SS**Hα-helixtrans-71.3-30.6176.7-73.6-31000113.1D295 F299 F300 N301D295-N297 PolarHBondContact O-N 3.46Å; D295-N297 WeakPolarHBondContact OD1-CB 3.46Å; D295-N297 PolarHBondContact OD1-N 3.12Å; N297-F299 PolarHBondContact O-N 3.04Å; N297-F300 PolarHBondContact O-N 3.08Å; N297-N301 PolarHBondContact O-ND2 3.5Å
298E69.4Low55.8Low90 Ų90114.6 Ų114.642%0.42164%0.636SS.*Hα-helixtrans-61.7-33.2175.1-72-1009900111.4D295 F300 N301 K304D295-E298 PolarHBondContact O-N 3.26Å; E298-F300 VanDerWaalsContact C-N 3.28Å; E298-F300 PolarHBondContact O-N 3.46Å; E298-N301 WeakPolarHBondContact O-CB 3.39Å; E298-N301 PolarHBondContact O-N 3.28Å; E298-N301 VanDerWaalsContact O-N 3.13Å; E298-K304 IonicContact OE1-NZ 3.88Å; E298-K304 PolarHBondContact OE1-NZ 3.08Å; E298-K304 IonicContact OE2-NZ 2.61Å; E298-K304 PolarHBondContact OE2-NZ 2.89Å
299F63Low57Low137 Ų137111.1 Ų111.160%0.60162%0.617SS**Hα-helixtrans-65.6-26.9180-175.9-102.1000113.6F296 N297F296-F299 WeakPolarHBondContact O-CB 3.39Å; F296-F299 PolarHBondContact O-N 3.3Å; N297-F299 PolarHBondContact O-N 3.04Å
300F67.1Low57.7Low110 Ų110108.9 Ų108.948%0.48261%0.61SS.*Hα-helixtrans-83.7-11.2176.1-71.3-80.6000113.4F296 N297 E298 L302F296-F300 WeakPolarHBondContact O-CD2 3.38Å; N297-F300 PolarHBondContact O-N 3.08Å; E298-F300 VanDerWaalsContact C-N 3.28Å; E298-F300 PolarHBondContact O-N 3.46Å; F300-L302 VanDerWaalsContact C-N 3.3Å; F300-L302 PolarHBondContact O-N 3.47Å
301N68.1Low58.7Low79 Ų79107.6 Ų107.642%0.42260%0.601SS.*  trans-83.273.1175.8-65.3-37.3000110.6N297 E298 E303 K304 T305N297-N301 PolarHBondContact O-ND2 3.5Å; E298-N301 WeakPolarHBondContact O-CB 3.39Å; E298-N301 PolarHBondContact O-N 3.28Å; E298-N301 VanDerWaalsContact O-N 3.13Å; N301-E303 PolarHBondContact O-N 2.88Å; N301-E303 VanDerWaalsContact O-N 3.15Å; N301-K304 HydrophobicContact CB-CB 4.21Å; N301-K304 WeakPolarHBondContact O-CB 3.35Å; N301-K304 PolarHBondContact O-N 3.2Å; N301-T305 PolarHBondContact O-N 3.45Å; N301-T305 PolarHBondContact O-OG1 3.26Å
302L62.2Low58.9Low107 Ų107108.9 Ų108.956%0.5659%0.588SS**Hα-helixtrans-54.6-34.1-174.9-128.771.6000113.9F300 K304 T305 M306 L309F300-L302 VanDerWaalsContact C-N 3.3Å; F300-L302 PolarHBondContact O-N 3.47Å; L302-K304 VanDerWaalsContact C-N 3.31Å; L302-K304 PolarHBondContact O-N 2.96Å; L302-T305 WeakPolarHBondContact CA-OG1 3.3Å; L302-T305 PolarHBondContact O-N 2.98Å; L302-T305 PolarHBondContact O-OG1 2.96Å; L302-M306 PolarHBondContact O-N 3.09Å; L302-L309 HydrophobicContact CD2-CD2 4.48Å
303E56.3Low59.7Low176 Ų176110.5 Ų110.582%0.82258%0.581SS**Hα-helixtrans-64.3-32.8177.4-173.6171.6-139.500113N301N301-E303 PolarHBondContact O-N 2.88Å; N301-E303 VanDerWaalsContact O-N 3.15Å
304K59Low60.2Low139 Ų139110.1 Ų110.160%0.60457%0.574SS**Hα-helixtrans-82.2-21.6-180-156.2-173.5-174.4-156.90112.5E298 N301 L302E298-K304 IonicContact OE1-NZ 3.88Å; E298-K304 PolarHBondContact OE1-NZ 3.08Å; E298-K304 IonicContact OE2-NZ 2.61Å; E298-K304 PolarHBondContact OE2-NZ 2.89Å; N301-K304 HydrophobicContact CB-CB 4.21Å; N301-K304 WeakPolarHBondContact O-CB 3.35Å; N301-K304 PolarHBondContact O-N 3.2Å; L302-K304 VanDerWaalsContact C-N 3.31Å; L302-K304 PolarHBondContact O-N 2.96Å
305T60.7Low60Low68 Ų68109.7 Ų109.742%0.41758%0.579SS.*Hα-helixtrans-99.8-31.7-176.447.10000113.9N301 L302N301-T305 PolarHBondContact O-N 3.45Å; N301-T305 PolarHBondContact O-OG1 3.26Å; L302-T305 WeakPolarHBondContact CA-OG1 3.3Å; L302-T305 PolarHBondContact O-N 2.98Å; L302-T305 PolarHBondContact O-OG1 2.96Å
306M56.1Low59.4Low121 Ų121111 Ų11160%0.59659%0.59SS**SBendtrans-141.683.6176.5-74.6-8096.500112.1L302 G308 L309L302-M306 PolarHBondContact O-N 3.09Å; M306-G308 PolarHBondContact O-N 3.3Å; M306-L309 HydrophobicContact CB-CB 4.45Å; M306-L309 HydrophobicContact CB-CD1 4.31Å; M306-L309 PolarHBondContact O-N 3.45Å
307P46.8Very low59Low115 Ų115111 Ų11175%0.74760%0.595SS**THydrogen-bonded Turntrans-58.1132.9175.4-24.535000112.4
308G55.4Low57.8Low54 Ų54108.8 Ų108.856%0.55760%0.599SS**THydrogen-bonded Turntrans96.9-9.1178.200000116M306 A310M306-G308 PolarHBondContact O-N 3.3Å; G308-A310 VanDerWaalsContact C-N 3.26Å; G308-A310 PolarHBondContact O-N 3.43Å
309L58.6Low56.9Low83 Ų83114.4 Ų114.444%0.43563%0.626SS.*THydrogen-bonded Turntrans-67.4-27.3178.8-160.9147.2000112.6L302 M306 I313L302-L309 HydrophobicContact CD2-CD2 4.48Å; M306-L309 HydrophobicContact CB-CB 4.45Å; M306-L309 HydrophobicContact CB-CD1 4.31Å; M306-L309 PolarHBondContact O-N 3.45Å; L309-I313 HydrophobicContact CD2-CD1 3.88Å
310A55.9Low55.7Low75 Ų75110.6 Ų110.662%0.6263%0.625SS**THydrogen-bonded Turntrans-63.3-45.9177.200000113.3G308 M312 I313 E314G308-A310 VanDerWaalsContact C-N 3.26Å; G308-A310 PolarHBondContact O-N 3.43Å; A310-M312 VanDerWaalsContact C-N 3.31Å; A310-M312 PolarHBondContact O-N 3.12Å; A310-I313 WeakPolarHBondContact O-CB 3.44Å; A310-I313 PolarHBondContact O-N 3.07Å; A310-E314 PolarHBondContact O-N 3.23Å
311S53.7Low54.9Low71 Ų71112.2 Ų112.250%0.49765%0.647SS.*Hα-helixtrans-63.8-35-177.3-54.20000112.8I313 E314 D315S311-I313 PolarHBondContact O-N 3.13Å; S311-E314 PolarHBondContact O-N 2.89Å; S311-D315 PolarHBondContact O-N 3.14Å; S311-D315 VanDerWaalsContact O-N 3.15Å
312M53.9Low53.8Low148 Ų148114.5 Ų114.573%0.72966%0.663SS**Hα-helixtrans-66.7-16.4174.5-75.4-168.6171.500114.1A310 V316A310-M312 VanDerWaalsContact C-N 3.31Å; A310-M312 PolarHBondContact O-N 3.12Å; M312-V316 WeakPolarHBondContact O-CG2 3.45Å
313I60.9Low53.1Low93 Ų93115.4 Ų115.448%0.47768%0.675SS.*Hα-helixtrans-86.9-35.5174.9-65171.1000110.2L309 A310 S311 V316 L317L309-I313 HydrophobicContact CD2-CD1 3.88Å; A310-I313 WeakPolarHBondContact O-CB 3.44Å; A310-I313 PolarHBondContact O-N 3.07Å; S311-I313 PolarHBondContact O-N 3.13Å; I313-V316 PolarHBondContact O-N 3.25Å; I313-L317 HydrophobicContact CG2-CD1 4.01Å
314E56.8Low52.7Low154 Ų154110.3 Ų110.372%0.7266%0.663SS**Hα-helixtrans-69.8-43.7-179.6-159.5161.1-144.100111.8A310 S311 V316 L317A310-E314 PolarHBondContact O-N 3.23Å; S311-E314 PolarHBondContact O-N 2.89Å; E314-V316 PolarHBondContact O-N 3.44Å; E314-L317 PolarHBondContact O-N 3.31Å; E314-L317 VanDerWaalsContact O-N 3.12Å
315D53.1Low52.2Low146 Ų146107.5 Ų107.578%0.78166%0.662SS**THydrogen-bonded Turntrans-58.3-20.4174.8-80.3-25.5000114.2S311S311-D315 PolarHBondContact O-N 3.14Å; S311-D315 VanDerWaalsContact O-N 3.15Å
316V55.9Low51.7Low117 Ų117115.1 Ų115.171%0.70968%0.683SS**THydrogen-bonded Turntrans-97.6-12-176.8176.60000112.5M312 I313 E314M312-V316 WeakPolarHBondContact O-CG2 3.45Å; I313-V316 PolarHBondContact O-N 3.25Å; E314-V316 PolarHBondContact O-N 3.44Å
317L55.9Low51.2Low136 Ų136116.7 Ų116.771%0.71269%0.687SS**SBendtrans-116.713.7-173.9-66.2175.7000114.3I313 E314I313-L317 HydrophobicContact CG2-CD1 4.01Å; E314-L317 PolarHBondContact O-N 3.31Å; E314-L317 VanDerWaalsContact O-N 3.12Å
318G44.2Very low51.2Low66 Ų66113.8 Ų113.868%0.6867%0.669SS**  trans-57.3144.7173.100000114
319E51.2Low50.9Low207 Ų207118 Ų11897%0.96767%0.674SS**SBendtrans-53.3134.5-164.3-57.9-172.3123.800116.4
320G38.7Very low50.3Low58 Ų58124.8 Ų124.860%0.59869%0.694SS**  trans178.4114.7167.400000114.6V322G320-V322 PolarHBondContact O-N 3.47Å; G320-V322 VanDerWaalsContact O-N 3.17Å
321P50.1Low50.1Low143 Ų143129 Ų12993%0.92970%0.698SS**  trans-80.299.7-177.530.8-33.9000112.5
322V43.8Very low49.2Very low128 Ų128129.7 Ų129.778%0.77670%0.704SS**  trans-127.1134.1174.3-176.90000109.1G320 A324G320-V322 PolarHBondContact O-N 3.47Å; G320-V322 VanDerWaalsContact O-N 3.17Å; V322-A324 PolarHBondContact O-N 2.94Å
323P48Very low48.1Very low125 Ų125130 Ų13081%0.81271%0.708SS**PPolyproline II helixtrans-67.5123.5-169.825.1-34.7000113.1
324A47.2Very low46.7Very low69 Ų69131 Ų13157%0.5772%0.719SS**PPolyproline II helixtrans-64.2154.9177.900000113V322V322-A324 PolarHBondContact O-N 2.94Å
325S49.4Very low45.6Very low81 Ų81131.8 Ų131.857%0.56673%0.727SS**PPolyproline II helixtrans-58.7145178.3-179.10000112.4F327 S328S325-F327 PolarHBondContact O-N 2.85Å; S325-S328 PolarHBondContact O-N 3.45Å
326R50.7Low44.9Very low227 Ų227129.1 Ų129.186%0.85772%0.72SS**THydrogen-bonded Turntrans-53.1-19.8175.3-112.1177.9164.7157.3-4.1114.6
327F45.4Very low44Very low155 Ų155129.4 Ų129.468%0.6872%0.724SS**THydrogen-bonded Turntrans-77.3-33.6175.9-163.8-102.3000112.9S325 F331S325-F327 PolarHBondContact O-N 2.85Å; F327-F331 HydrophobicContact CE1-CE2 4.39Å
328S46Very low42.7Very low54 Ų54129.1 Ų129.138%0.37873%0.734SS.*G310 helixtrans-75.4-28.1179.7-57.20000112.7S325 W330 F331 S332S325-S328 PolarHBondContact O-N 3.45Å; S328-W330 PolarHBondContact O-N 2.69Å; S328-W330 VanDerWaalsContact O-N 3.09Å; S328-F331 PolarHBondContact O-N 3.1Å; S328-S332 PolarHBondContact O-N 3.15Å; S328-S332 VanDerWaalsContact O-N 3.09Å; S328-S332 PolarHBondContact O-OG 2.75Å
329Q49.1Very low42Very low142 Ų142129.5 Ų129.566%0.66474%0.737SS**G310 helixtrans-62.3-15.3177.8-69-172.8-52.100114.2
330W45.9Very low41Very low225 Ų225125.4 Ų125.485%0.85273%0.731SS**G310 helixtrans-79.6-24.8172.9-147.8-34.3000112.3S328S328-W330 PolarHBondContact O-N 2.69Å; S328-W330 VanDerWaalsContact O-N 3.09Å
331F51.6Low40.6Very low163 Ų163134.4 Ų134.472%0.71575%0.747SS**THydrogen-bonded Turntrans-108-10.6-175.4-65.4-76.7000114.1F327 S328F327-F331 HydrophobicContact CE1-CE2 4.39Å; S328-F331 PolarHBondContact O-N 3.1Å
332S35.3Very low39.6Very low87 Ų87132.7 Ų132.761%0.60874%0.739SS**  trans-106.293.2-177.8-60.30000112.7S328S328-S332 PolarHBondContact O-N 3.15Å; S328-S332 VanDerWaalsContact O-N 3.09Å; S328-S332 PolarHBondContact O-OG 2.75Å
333N31.3Very low39.1Very low153 Ų153130.4 Ų130.482%0.81873%0.728SS**  trans-139.679.5157-173.534.3000111.5
334T31.9Very low38.4Very low115 Ų115128.2 Ų128.271%0.70672%0.716SS**  trans-141.785.1173.253.70000111.8S336T334-S336 PolarHBondContact O-OG 3.35Å; T334-S336 VanDerWaalsContact O-OG 3.12Å
335L33Very low37.8Very low170 Ų170131.8 Ų131.889%0.8973%0.725SS**  -97.6108.2129.3-8570.2000104.2
336S38.8Very low37.5Very low91 Ų91139 Ų13964%0.63674%0.74SS**  cis67.3132.650-49.20000110.7T334T334-S336 PolarHBondContact O-OG 3.35Å; T334-S336 VanDerWaalsContact O-OG 3.12Å
337P37.5Very low36.7Very low122 Ų122132 Ų13279%0.79273%0.725SS**  cis-136.9165.546.541.4-26.4000118.4
338S28.6Very low36.5Very low131 Ų131128.2 Ų128.292%0.91672%0.715SS**  trans72.1132.7155.3-150.90000119
339G29.6Very low36.7Very low73 Ų73130.8 Ų130.875%0.75373%0.731SS**  trans141.56.9174.300000117.3R341G339-R341 PolarHBondContact O-N 3.49Å
340S29.6Very low36.5Very low121 Ų121129.7 Ų129.785%0.84673%0.725SS**  trans-76.3123.6-171.5-52.90000115
341R29.4Very low36.8Very low247 Ų247123.5 Ų123.593%0.93271%0.706SS**  -131.8152.8128.4-64.8-157.183.2172.83.4108.5G339G339-R341 PolarHBondContact O-N 3.49Å
342S30Very low37Very low108 Ų108121.5 Ų121.576%0.75570%0.699SS**  trans-125.4139.2-167.7-176.20000111.8
343S32.8Very low37.9Very low79 Ų79122.8 Ų122.855%0.55270%0.698SS**  trans64.5162.817281.90000115.2
344S32.5Very low39Very low79 Ų79121.7 Ų121.755%0.55269%0.688SS**  cis-151.5161.65.5-153.70000112.6
345L35Very low39.9Very low145 Ų145123.1 Ų123.176%0.75968%0.684SS**SBendtrans60.6119.4165.8-51-176.7000118.9
346R44.6Very low40.7Very low233 Ų233121.8 Ų121.888%0.87968%0.678SS**  trans5973160-60.1-179.4174.4178.8-1.6117.1
347S32.1Very low41.1Very low78 Ų78120.7 Ų120.755%0.54567%0.674SS.*  -63.7137.6128.650.20000107.8
348T42.7Very low41.7Very low77 Ų77118.1 Ų118.147%0.47267%0.67SS.*  trans-89.4154.3170.663.40000108.9H350 E351T348-H350 PolarHBondContact O-N 2.81Å; T348-E351 PolarHBondContact O-N 3.22Å
349P50.2Low42.7Very low108 Ų108119.6 Ų119.670%0.70167%0.666SS**THydrogen-bonded Turntrans-62.4-4177.925.9-35.5000114.1L353P349-L353 WeakPolarHBondContact O-CD1 3.21Å; P349-L353 WeakPolarHBondContact O-CG 3.26Å
350H43.9Very low42.8Very low119 Ų119123.6 Ų123.655%0.55167%0.671SS**Hα-helixtrans-72.4-37.6171-169.65.3000112.5T348 E352 L353 E354T348-H350 PolarHBondContact O-N 2.81Å; H350-E352 VanDerWaalsContact C-N 3.31Å; H350-E352 PolarHBondContact O-N 3.43Å; H350-L353 PolarHBondContact O-N 3.31Å; H350-E354 IonicContact CE1-OE1 3.25Å
351E52.8Low43.7Very low95 Ų95124.1 Ų124.144%0.44467%0.671SS.*Hα-helixtrans-81.3-10.2-168.8-148.7-158.213100113.9T348 K355T348-E351 PolarHBondContact O-N 3.22Å; E351-K355 PolarHBondContact O-NZ 3.47Å; E351-K355 IonicContact OE1-NZ 2.89Å; E351-K355 PolarHBondContact OE1-NZ 3.08Å
352E55.8Low43.9Very low120 Ų120115.7 Ų115.756%0.56166%0.661SS**Hα-helixtrans-90-31.5170.8-65.2-177.5178.900111.2H350 K355 L356H350-E352 VanDerWaalsContact C-N 3.31Å; H350-E352 PolarHBondContact O-N 3.43Å; E352-K355 PolarHBondContact O-N 3.27Å; E352-L356 WeakPolarHBondContact O-CG 3.24Å; E352-L356 PolarHBondContact O-N 3.13Å
353L54.5Low43.7Very low115 Ų115117.2 Ų117.260%0.60267%0.67SS**Hα-helixtrans-67.2-36.8179.6-69.1170.9000112.5P349 H350 K355 L356 A357P349-L353 WeakPolarHBondContact O-CD1 3.21Å; P349-L353 WeakPolarHBondContact O-CG 3.26Å; H350-L353 PolarHBondContact O-N 3.31Å; L353-K355 VanDerWaalsContact C-N 3.34Å; L353-L356 PolarHBondContact O-N 3.39Å; L353-A357 PolarHBondContact O-N 3.24Å
354E52.8Low44Very low130 Ų130119.3 Ų119.361%0.60769%0.685SS**THydrogen-bonded Turntrans-69.5-32.6175.4-62.3-169.214500112.1H350 L356 A357H350-E354 IonicContact CE1-OE1 3.25Å; E354-L356 VanDerWaalsContact C-N 3.31Å; E354-L356 PolarHBondContact O-N 2.79Å; E354-A357 VanDerWaalsContact O-CB 3.31Å; E354-A357 WeakPolarHBondContact O-CB 3.43Å; E354-A357 PolarHBondContact O-N 2.72Å; E354-A357 VanDerWaalsContact O-N 3.16Å
355K52.6Low43.8Very low144 Ų144121.3 Ų121.363%0.62670%0.699SS**G310 helixtrans-72.1-26.1174.5-63.7-178-175.698.90112.2E351 E352 L353 A357E351-K355 PolarHBondContact O-NZ 3.47Å; E351-K355 IonicContact OE1-NZ 2.89Å; E351-K355 PolarHBondContact OE1-NZ 3.08Å; E352-K355 PolarHBondContact O-N 3.27Å; L353-K355 VanDerWaalsContact C-N 3.34Å; K355-A357 VanDerWaalsContact C-N 3.31Å
356L49.1Very low43.8Very low142 Ų142121 Ų12174%0.74370%0.703SS**G310 helixtrans-79.3-8.8170.5-68.5170.2000113.7E352 L353 E354 G358E352-L356 WeakPolarHBondContact O-CG 3.24Å; E352-L356 PolarHBondContact O-N 3.13Å; L353-L356 PolarHBondContact O-N 3.39Å; E354-L356 VanDerWaalsContact C-N 3.31Å; E354-L356 PolarHBondContact O-N 2.79Å; L356-G358 VanDerWaalsContact C-N 3.27Å; L356-G358 PolarHBondContact O-N 3.06Å
357A47.6Very low43Very low69 Ų69115.8 Ų115.857%0.5770%0.703SS**G310 helixtrans-79.1-0.8-179.100000114.7L353 E354 K355L353-A357 PolarHBondContact O-N 3.24Å; E354-A357 VanDerWaalsContact O-CB 3.31Å; E354-A357 WeakPolarHBondContact O-CB 3.43Å; E354-A357 PolarHBondContact O-N 2.72Å; E354-A357 VanDerWaalsContact O-N 3.16Å; K355-A357 VanDerWaalsContact C-N 3.31Å
358G49.8Very low43.2Very low67 Ų67121.9 Ų121.969%0.69172%0.722SS**  trans77.129.1164.700000116.5L356L356-G358 VanDerWaalsContact C-N 3.27Å; L356-G358 PolarHBondContact O-N 3.06Å
359L48.6Very low42.7Very low162 Ų162121.4 Ų121.485%0.84873%0.733SS**  trans-103.868.7179.8-66.8178.7000113.4
360D32Very low41.9Very low158 Ų158122.2 Ų122.285%0.84574%0.741SS**  trans-160.7130.6144.4-118.9-25.6000112.1
361P49.7Very low41.5Very low131 Ų131120.8 Ų120.885%0.85175%0.75SS**  trans-98.5111.1-174.134.9-31000113.6
362G32.1Very low40.7Very low71 Ų71121.3 Ų121.373%0.73276%0.764SS**  trans-148.8112.8-178.100000117
363C25.9Very low40.2Very low139 Ų139126.5 Ų126.594%0.93978%0.78SS**  trans52.4105.8155.5-67.40000120.7
364S39Very low39.5Very low123 Ų123130.8 Ų130.886%0.8679%0.794SS**  trans-78.2150.9161.651.80000113.4
365S28.3Very low38.7Very low121 Ų121130 Ų13085%0.84680%0.798SS**  trans-154.8164.2155.366.40000111.3
366T35.3Very low38.2Very low139 Ų139128.7 Ų128.785%0.85381%0.805SS**  trans-134145-165.452.70000113.4
367S28.4Very low37.5Very low124 Ų124130 Ų13087%0.86781%0.811SS**  trans-163.3161.5153.457.80000110.9
368Q36.2Very low36.9Very low205 Ų205135.2 Ų135.296%0.95882%0.823SS**  trans-123145.5-175.1-59.8170.2-64.600110.5
369G31.4Very low36.2Very low67 Ų67137.6 Ų137.669%0.69183%0.829SS**  trans168.1109.4166.700000116.3
370S33.5Very low35.6Very low125 Ų125135.2 Ų135.287%0.87483%0.826SS**  trans46.2104.4162560000118.5
371A35.6Very low36.2Very low90 Ų90135.2 Ų135.274%0.74482%0.821SS**  trans-76.3138.2174.900000113.5
372S37.5Very low35.8Very low105 Ų105132 Ų13273%0.73481%0.811SS**  trans-93.8133.8161.9-67.60000109.7F374S372-F374 VanDerWaalsContact C-N 3.3Å; S372-F374 PolarHBondContact O-N 3.32Å
373Y44.7Very low36.7Very low230 Ų230137.2 Ų137.290%0.90281%0.814SS**SBendtrans-79.366.2-173.4-74.7-87.3000114.1
374F39.5Very low38.3Very low205 Ų205138 Ų13890%0.89980%0.804SS**  trans-162103.8143.2-138.3-97.4000110.7S372S372-F374 VanDerWaalsContact C-N 3.3Å; S372-F374 PolarHBondContact O-N 3.32Å
375T36.2Very low39.2Very low112 Ų112141.8 Ų141.869%0.68781%0.805SS**  trans-133.7146.5171.553.80000109.4
376P41.1Very low40.9Very low118 Ų118139.7 Ų139.777%0.76679%0.786SS**  trans-54.3152.6168.3-2434.6000111.7Q378P376-Q378 PolarHBondContact O-N 2.82Å; P376-Q378 VanDerWaalsContact O-N 3.1Å
377I35.6Very low43.1Very low169 Ų169137 Ų13787%0.86777%0.767SS**  trans-64.2112.4179.7-59.6172.1000108.9
378Q34.2Very low45.4Very low178 Ų178136.9 Ų136.983%0.83276%0.755SS**  trans-72.4125.6164.9-70.4-175.8-11.200108.7P376 S380P376-Q378 PolarHBondContact O-N 2.82Å; P376-Q378 VanDerWaalsContact O-N 3.1Å; Q378-S380 PolarHBondContact O-N 3.03Å
379S35.1Very low47.3Very low117 Ų117132.9 Ų132.982%0.81874%0.74SS**  trans-69.694.9170.9530000109.7E381S379-E381 PolarHBondContact O-N 3.06Å
380S35.6Very low49.7Very low112 Ų112133.7 Ų133.778%0.78373%0.726SS**  trans-63.8114.9170.4550000109.5Q378 G382Q378-S380 PolarHBondContact O-N 3.03Å; S380-G382 PolarHBondContact O-N 2.91Å
381E45Very low52.1Low159 Ų159132 Ų13274%0.74371%0.707SS**  trans-74.965.1177.3-163.1-178.1143.900111.7S379 K383S379-E381 PolarHBondContact O-N 3.06Å; E381-K383 HydrophobicContact CG-CG 4.3Å; E381-K383 WeakPolarHBondContact OE1-CE 3.5Å; E381-K383 IonicContact OE1-NZ 3.25Å; E381-K383 PolarHBondContact OE1-NZ 3.48Å; E381-K383 VanDerWaalsContact OE1-NZ 3.13Å
382G41.2Very low54.2Low62 Ų62130.4 Ų130.464%0.63969%0.685SS**  trans-79.1114.6157.400000108.6S380 E384S380-G382 PolarHBondContact O-N 2.91Å; G382-E384 PolarHBondContact O-N 3.32Å
383K52.3Low56Low182 Ų182133.1 Ų133.179%0.79169%0.686SS**  trans-77.864.9-173.4-67.6-178.4177.1177.70113.2E381E381-K383 HydrophobicContact CG-CG 4.3Å; E381-K383 WeakPolarHBondContact OE1-CE 3.5Å; E381-K383 IonicContact OE1-NZ 3.25Å; E381-K383 PolarHBondContact OE1-NZ 3.48Å; E381-K383 VanDerWaalsContact OE1-NZ 3.13Å
384E58.4Low57.6Low154 Ų154127.3 Ų127.372%0.7267%0.665SS**  trans-109.195.4167.7-167.4165.4-163.300110G382 V386G382-E384 PolarHBondContact O-N 3.32Å; E384-V386 VanDerWaalsContact C-N 3.34Å; E384-V386 HydrophobicContact CG-CG2 4.31Å; E384-V386 PolarHBondContact O-N 2.85Å
385K58.3Low59.5Low204 Ų204120.7 Ų120.789%0.88765%0.648SS**  trans-74.391.5169.3-68.7-168.5177.8-169.80108.2D387K385-D387 VanDerWaalsContact C-N 3.34Å; K385-D387 PolarHBondContact O-N 3.29Å
386V64.9Low61.3Low76 Ų76124.3 Ų124.346%0.46165%0.654SS.*  trans-64.196.4170.2-178.20000108.1E384 I388 L391E384-V386 VanDerWaalsContact C-N 3.34Å; E384-V386 HydrophobicContact CG-CG2 4.31Å; E384-V386 PolarHBondContact O-N 2.85Å; V386-I388 PolarHBondContact O-N 3.2Å; V386-L391 HydrophobicContact CG1-CB 4.09Å; V386-L391 HydrophobicContact CG1-CD1 4.49Å; V386-L391 HydrophobicContact CG1-CD2 4.29Å
387D80.1Confident63.1Low83 Ų83122 Ų12244%0.44464%0.638SS.*  trans-63.8129.2174.2177.35000108.8K385 L389 E390 L391K385-D387 VanDerWaalsContact C-N 3.34Å; K385-D387 PolarHBondContact O-N 3.29Å; D387-L389 PolarHBondContact O-N 3.4Å; D387-L389 WeakPolarHBondContact OD1-CB 3.43Å; D387-L389 PolarHBondContact OD1-N 2.91Å; D387-E390 HydrophobicContact CB-CB 3.91Å; D387-E390 WeakPolarHBondContact O-CB 3.39Å; D387-E390 PolarHBondContact O-N 2.88Å; D387-E390 VanDerWaalsContact O-N 3.11Å; D387-L391 WeakPolarHBondContact O-CB 3.36Å; D387-L391 PolarHBondContact O-N 2.94Å
388I78.1Confident65.1Low122 Ų122117.9 Ų117.963%0.62662%0.618SS**Hα-helixtrans-62-33.7-179.5-59172.8000110V386 L391 L392V386-I388 PolarHBondContact O-N 3.2Å; I388-L391 PolarHBondContact O-N 3.48Å; I388-L392 HydrophobicContact CG2-CD1 4.06Å; I388-L392 HydrophobicContact CG2-CG 4.46Å; I388-L392 WeakPolarHBondContact O-CB 3.35Å; I388-L392 WeakPolarHBondContact O-CD1 3.34Å; I388-L392 WeakPolarHBondContact O-CG 3.27Å; I388-L392 PolarHBondContact O-N 2.9Å
389L75.7Confident67.2Low120 Ų120112.3 Ų112.363%0.62859%0.593SS**Hα-helixtrans-66.3-43174.7-60.7174.8000111.4D387 L392 H393D387-L389 PolarHBondContact O-N 3.4Å; D387-L389 WeakPolarHBondContact OD1-CB 3.43Å; D387-L389 PolarHBondContact OD1-N 2.91Å; L389-L392 PolarHBondContact O-N 2.99Å; L389-H393 WeakPolarHBondContact O-CB 3.42Å; L389-H393 PolarHBondContact O-N 2.79Å
390E81.7Confident69.3Low85 Ų85113.6 Ų113.640%0.39758%0.584SS.*Hα-helixtrans-67.1-40.6177.4-158.5-130.4159.800110.8D387 H393 K394D387-E390 HydrophobicContact CB-CB 3.91Å; D387-E390 WeakPolarHBondContact O-CB 3.39Å; D387-E390 PolarHBondContact O-N 2.88Å; D387-E390 VanDerWaalsContact O-N 3.11Å; E390-H393 PolarHBondContact O-N 2.96Å; E390-K394 HydrophobicContact CG-CD 3.93Å; E390-K394 WeakPolarHBondContact O-CB 3.39Å; E390-K394 WeakPolarHBondContact O-CD 3.46Å; E390-K394 PolarHBondContact O-N 3.37Å; E390-K394 WeakPolarHBondContact OE1-CD 3.36Å; E390-K394 WeakPolarHBondContact OE1-CE 3.38Å; E390-K394 IonicContact OE1-NZ 2.64Å; E390-K394 PolarHBondContact OE1-NZ 3.11Å; E390-K394 IonicContact OE2-NZ 3.43Å; E390-K394 PolarHBondContact OE2-NZ 3.39Å
391L83.3Confident71.4Confident90 Ų90111.6 Ų111.647%0.47157%0.568SS.*Hα-helixtrans-62.4-45.6174.5-177.861.4000112.3V386 D387 I388 H393 K394 A395V386-L391 HydrophobicContact CG1-CB 4.09Å; V386-L391 HydrophobicContact CG1-CD1 4.49Å; V386-L391 HydrophobicContact CG1-CD2 4.29Å; D387-L391 WeakPolarHBondContact O-CB 3.36Å; D387-L391 PolarHBondContact O-N 2.94Å; I388-L391 PolarHBondContact O-N 3.48Å; L391-H393 VanDerWaalsContact C-N 3.31Å; L391-H393 PolarHBondContact O-N 2.97Å; L391-K394 PolarHBondContact O-N 2.73Å; L391-A395 VanDerWaalsContact O-CB 3.28Å; L391-A395 WeakPolarHBondContact O-CB 3.47Å; L391-A395 PolarHBondContact O-N 3.2Å
392L80.9Confident72.7Confident56 Ų56109 Ų10929%0.29356%0.559SS.*Hα-helixtrans-63.6-37.2175.9-73.1167.5000112I388 L389 A395 K396 V397 L399I388-L392 HydrophobicContact CG2-CD1 4.06Å; I388-L392 HydrophobicContact CG2-CG 4.46Å; I388-L392 WeakPolarHBondContact O-CB 3.35Å; I388-L392 WeakPolarHBondContact O-CD1 3.34Å; I388-L392 WeakPolarHBondContact O-CG 3.27Å; I388-L392 PolarHBondContact O-N 2.9Å; L389-L392 PolarHBondContact O-N 2.99Å; L392-A395 CarbonylContact O-C 3.46Å; L392-A395 PolarHBondContact O-N 2.79Å; L392-K396 PolarHBondContact O-N 3.02Å; L392-K396 VanDerWaalsContact O-N 3.09Å; L392-V397 HydrophobicContact CD2-CB 4.16Å; L392-V397 HydrophobicContact CD2-CG1 4.42Å; L392-V397 HydrophobicContact CD2-CG2 3.99Å; L392-V397 PolarHBondContact O-N 3.14Å; L392-V397 VanDerWaalsContact O-N 3.15Å; L392-L399 HydrophobicContact CD1-CD2 4.44Å
393H73.9Confident74.2Confident161 Ų161111.3 Ų111.375%0.74556%0.556SS**Hα-helixtrans-68.3-44.3174.5-172.9-114.2000112L389 E390 L391 A395 K396L389-H393 WeakPolarHBondContact O-CB 3.42Å; L389-H393 PolarHBondContact O-N 2.79Å; E390-H393 PolarHBondContact O-N 2.96Å; L391-H393 VanDerWaalsContact C-N 3.31Å; L391-H393 PolarHBondContact O-N 2.97Å; H393-A395 VanDerWaalsContact C-N 3.29Å; H393-A395 PolarHBondContact O-N 3.31Å; H393-K396 PolarHBondContact O-N 2.83Å
394K79.3Confident75Confident109 Ų109105.3 Ų105.347%0.47454%0.538SS..Hα-helixtrans-59.6-37.5171.9-87.9139.861.2171.70112.1E390 L391 K396E390-K394 HydrophobicContact CG-CD 3.93Å; E390-K394 WeakPolarHBondContact O-CB 3.39Å; E390-K394 WeakPolarHBondContact O-CD 3.46Å; E390-K394 PolarHBondContact O-N 3.37Å; E390-K394 WeakPolarHBondContact OE1-CD 3.36Å; E390-K394 WeakPolarHBondContact OE1-CE 3.38Å; E390-K394 IonicContact OE1-NZ 2.64Å; E390-K394 PolarHBondContact OE1-NZ 3.11Å; E390-K394 IonicContact OE2-NZ 3.43Å; E390-K394 PolarHBondContact OE2-NZ 3.39Å; L391-K394 PolarHBondContact O-N 2.73Å; K394-K396 VanDerWaalsContact C-N 3.29Å; K394-K396 PolarHBondContact O-N 3.37Å
395A78.3Confident75.8Confident65 Ų65101.7 Ų101.754%0.53753%0.526SS..THydrogen-bonded Turntrans-78.7-4.6174.800000114.5L391 L392 H393 V397L391-A395 VanDerWaalsContact O-CB 3.28Å; L391-A395 WeakPolarHBondContact O-CB 3.47Å; L391-A395 PolarHBondContact O-N 3.2Å; L392-A395 CarbonylContact O-C 3.46Å; L392-A395 PolarHBondContact O-N 2.79Å; H393-A395 VanDerWaalsContact C-N 3.29Å; H393-A395 PolarHBondContact O-N 3.31Å; A395-V397 HydrophobicContact CB-CG2 3.97Å; A395-V397 PolarHBondContact O-N 3.37Å
396K74.1Confident76.4Confident188 Ų18897.4 Ų97.482%0.81751%0.512SS*.THydrogen-bonded Turntrans55.232.7-179.1-56.1-179.4-179177.20114.4L392 H393 K394 D398L392-K396 PolarHBondContact O-N 3.02Å; L392-K396 VanDerWaalsContact O-N 3.09Å; H393-K396 PolarHBondContact O-N 2.83Å; K394-K396 VanDerWaalsContact C-N 3.29Å; K394-K396 PolarHBondContact O-N 3.37Å; K396-D398 PolarHBondContact O-N 2.93Å
397V79.3Confident76.9Confident70 Ų7097.1 Ų97.142%0.42451%0.514SS..  trans-70.1121.4177.6-178.80000109.3L392 A395 L399L392-V397 HydrophobicContact CD2-CB 4.16Å; L392-V397 HydrophobicContact CD2-CG1 4.42Å; L392-V397 HydrophobicContact CD2-CG2 3.99Å; L392-V397 PolarHBondContact O-N 3.14Å; L392-V397 VanDerWaalsContact O-N 3.15Å; A395-V397 HydrophobicContact CB-CG2 3.97Å; A395-V397 PolarHBondContact O-N 3.37Å; V397-L399 HydrophobicContact CG1-CD2 4.21Å; V397-L399 PolarHBondContact O-N 3.36Å; V397-L399 VanDerWaalsContact O-N 3.15Å
398D77.4Confident76.8Confident83 Ų8396.5 Ų96.544%0.44451%0.513SS..  trans-73.6108.9177.1-165.60.4000110.4K396 K400 P401K396-D398 PolarHBondContact O-N 2.93Å; D398-K400 VanDerWaalsContact C-N 3.29Å; D398-K400 WeakPolarHBondContact OD1-CB 3.48Å; D398-K400 WeakPolarHBondContact OD1-CG 3.39Å; D398-K400 PolarHBondContact OD1-N 3.15Å; D398-K400 VanDerWaalsContact OD1-N 3.09Å; D398-K400 IonicContact OD1-NZ 2.79Å; D398-K400 PolarHBondContact OD1-NZ 3.09Å; D398-K400 IonicContact OD2-NZ 3.89Å; D398-K400 PolarHBondContact OD2-NZ 3.24Å; D398-P401 VanDerWaalsContact O-CD 3.3Å; D398-P401 WeakPolarHBondContact O-CD 3.14Å; D398-P401 WeakPolarHBondContact O-CG 3.42Å
399L78Confident76.4Confident61 Ų6195 Ų9532%0.31951%0.506SS..  trans-80-9.7179.5-56.1-179.6000112.8L392 V397 L402 L403L392-L399 HydrophobicContact CD1-CD2 4.44Å; V397-L399 HydrophobicContact CG1-CD2 4.21Å; V397-L399 PolarHBondContact O-N 3.36Å; V397-L399 VanDerWaalsContact O-N 3.15Å; L399-L402 HydrophobicContact CD2-CD1 4.08Å; L399-L402 PolarHBondContact O-N 2.84Å; L399-L402 VanDerWaalsContact O-N 3.14Å; L399-L403 HydrophobicContact CB-CD1 4.29Å; L399-L403 WeakPolarHBondContact O-CG 3.47Å; L399-L403 PolarHBondContact O-N 3.45Å
400K80.4Confident76.5Confident143 Ų14396.6 Ų96.662%0.62251%0.508SS*.Hα-helixtrans-52-50.8177.5-69.2-177.3-139.482.80114D398 L402 L403 S404D398-K400 VanDerWaalsContact C-N 3.29Å; D398-K400 WeakPolarHBondContact OD1-CB 3.48Å; D398-K400 WeakPolarHBondContact OD1-CG 3.39Å; D398-K400 PolarHBondContact OD1-N 3.15Å; D398-K400 VanDerWaalsContact OD1-N 3.09Å; D398-K400 IonicContact OD1-NZ 2.79Å; D398-K400 PolarHBondContact OD1-NZ 3.09Å; D398-K400 IonicContact OD2-NZ 3.89Å; D398-K400 PolarHBondContact OD2-NZ 3.24Å; K400-L402 VanDerWaalsContact C-N 3.3Å; K400-L402 PolarHBondContact O-N 2.93Å; K400-L403 PolarHBondContact O-N 2.97Å; K400-S404 WeakPolarHBondContact O-CB 3.34Å; K400-S404 PolarHBondContact O-N 3.15Å; K400-S404 PolarHBondContact O-OG 3.38Å
401P80.1Confident75.9Confident70 Ų7095.2 Ų95.246%0.45551%0.511SS..Hα-helixtrans-60.3-34.5176.821.5-34.8000114D398 S404 T405D398-P401 VanDerWaalsContact O-CD 3.3Å; D398-P401 WeakPolarHBondContact O-CD 3.14Å; D398-P401 WeakPolarHBondContact O-CG 3.42Å; P401-S404 WeakPolarHBondContact CA-OG 3.31Å; P401-S404 PolarHBondContact O-OG 3.35Å; P401-S404 VanDerWaalsContact O-OG 3.1Å; P401-T405 WeakPolarHBondContact O-CB 3.29Å; P401-T405 PolarHBondContact O-N 2.8Å; P401-T405 PolarHBondContact O-OG1 3.46Å
402L70.4Confident75.2Confident104 Ų10498.8 Ų98.855%0.54552%0.518SS..Hα-helixtrans-71.3-46.7178-59.8176.9000110.7L399 K400 T405 L406L399-L402 HydrophobicContact CD2-CD1 4.08Å; L399-L402 PolarHBondContact O-N 2.84Å; L399-L402 VanDerWaalsContact O-N 3.14Å; K400-L402 VanDerWaalsContact C-N 3.3Å; K400-L402 PolarHBondContact O-N 2.93Å; L402-T405 PolarHBondContact O-N 3.17Å; L402-L406 WeakPolarHBondContact O-CG 3.41Å; L402-L406 PolarHBondContact O-N 3.02Å
403L74.1Confident74.3Confident111 Ų111101.7 Ų101.758%0.58153%0.533SS*.Hα-helixtrans-67.9-33.4178.3-66173.5000112.6L399 K400 S407L399-L403 HydrophobicContact CB-CD1 4.29Å; L399-L403 WeakPolarHBondContact O-CG 3.47Å; L399-L403 PolarHBondContact O-N 3.45Å; K400-L403 PolarHBondContact O-N 2.97Å; L403-S407 WeakPolarHBondContact O-CB 3.44Å; L403-S407 PolarHBondContact O-N 3.29Å; L403-S407 PolarHBondContact O-OG 2.9Å
404S69.1Low73.8Confident57 Ų57102 Ų10240%0.39953%0.528SS..Hα-helixtrans-72.1-36.2173.168.50000112.2K400 P401 S407 V408K400-S404 WeakPolarHBondContact O-CB 3.34Å; K400-S404 PolarHBondContact O-N 3.15Å; K400-S404 PolarHBondContact O-OG 3.38Å; P401-S404 WeakPolarHBondContact CA-OG 3.31Å; P401-S404 PolarHBondContact O-OG 3.35Å; P401-S404 VanDerWaalsContact O-OG 3.1Å; S404-S407 WeakPolarHBondContact CA-OG 3.47Å; S404-S407 PolarHBondContact O-N 3.48Å; S404-S407 PolarHBondContact O-OG 3.11Å; S404-S407 VanDerWaalsContact O-OG 3.11Å; S404-V408 WeakPolarHBondContact O-CB 3.29Å; S404-V408 VanDerWaalsContact O-CG2 3.27Å; S404-V408 WeakPolarHBondContact O-CG2 3.34Å; S404-V408 PolarHBondContact O-N 2.94Å
405T75.1Confident72.7Confident77 Ų77103.5 Ų103.547%0.47254%0.537SS..Hα-helixtrans-64.4-43173.1-57.70000110.7P401 L402 N409P401-T405 WeakPolarHBondContact O-CB 3.29Å; P401-T405 PolarHBondContact O-N 2.8Å; P401-T405 PolarHBondContact O-OG1 3.46Å; L402-T405 PolarHBondContact O-N 3.17Å; T405-N409 VanDerWaalsContact O-CB 3.31Å; T405-N409 WeakPolarHBondContact O-CB 3.39Å; T405-N409 PolarHBondContact O-N 2.95Å; T405-N409 PolarHBondContact O-ND2 2.67Å
406L70.3Confident71.6Confident115 Ų115104 Ų10460%0.60254%0.536SS*.Hα-helixtrans-65.4-38.4175-70.6171.4000112.7L402 K410L402-L406 WeakPolarHBondContact O-CG 3.41Å; L402-L406 PolarHBondContact O-N 3.02Å; L406-K410 VanDerWaalsContact O-CB 3.29Å; L406-K410 WeakPolarHBondContact O-CB 3.3Å; L406-K410 PolarHBondContact O-N 3.29Å
407S75.5Confident70.7Confident70 Ų7098.8 Ų98.849%0.4952%0.52SS..Hα-helixtrans-72.3-38.3177.6730000112.6L403 S404 K410 A411L403-S407 WeakPolarHBondContact O-CB 3.44Å; L403-S407 PolarHBondContact O-N 3.29Å; L403-S407 PolarHBondContact O-OG 2.9Å; S404-S407 WeakPolarHBondContact CA-OG 3.47Å; S404-S407 PolarHBondContact O-N 3.48Å; S404-S407 PolarHBondContact O-OG 3.11Å; S404-S407 VanDerWaalsContact O-OG 3.11Å; S407-K410 PolarHBondContact O-N 3.2Å; S407-A411 WeakPolarHBondContact O-CB 3.33Å; S407-A411 PolarHBondContact O-N 2.73Å
408V77.8Confident69.6Low70 Ų70101 Ų10142%0.42453%0.53SS..Hα-helixtrans-64.5-41.5172.1168.30000111.2S404 A411 R412S404-V408 WeakPolarHBondContact O-CB 3.29Å; S404-V408 VanDerWaalsContact O-CG2 3.27Å; S404-V408 WeakPolarHBondContact O-CG2 3.34Å; S404-V408 PolarHBondContact O-N 2.94Å; V408-A411 PolarHBondContact O-N 3.15Å; V408-R412 HydrophobicContact CG1-CG 4.46Å; V408-R412 WeakPolarHBondContact O-CB 3.4Å; V408-R412 WeakPolarHBondContact O-CG 3.17Å; V408-R412 PolarHBondContact O-N 3.27Å
409N70.8Confident68.4Low90 Ų90102.5 Ų102.548%0.48155%0.547SS..Hα-helixtrans-67.4-39.8176.1-72.5-11000111.7T405 A411 R412 L413T405-N409 VanDerWaalsContact O-CB 3.31Å; T405-N409 WeakPolarHBondContact O-CB 3.39Å; T405-N409 PolarHBondContact O-N 2.95Å; T405-N409 PolarHBondContact O-ND2 2.67Å; N409-A411 VanDerWaalsContact C-N 3.33Å; N409-A411 PolarHBondContact O-N 2.82Å; N409-R412 PolarHBondContact O-N 3.09Å; N409-L413 WeakPolarHBondContact O-CB 3.49Å; N409-L413 PolarHBondContact O-N 2.65Å
410K77.4Confident66.9Low153 Ų153102.5 Ų102.567%0.66556%0.561SS**Hα-helixtrans-62.6-38.3171.9-175.5177.3179.1178.50112.2L406 S407 R414L406-K410 VanDerWaalsContact O-CB 3.29Å; L406-K410 WeakPolarHBondContact O-CB 3.3Å; L406-K410 PolarHBondContact O-N 3.29Å; S407-K410 PolarHBondContact O-N 3.2Å; K410-R414 WeakPolarHBondContact O-CB 3.47Å; K410-R414 WeakPolarHBondContact O-CG 3.41Å; K410-R414 PolarHBondContact O-N 3.41Å
411A69.1Low65.6Low57 Ų57102.1 Ų102.147%0.47157%0.57SS.*Hα-helixtrans-66.5-50.8175.300000111.4S407 V408 N409 L413 R414 E415S407-A411 WeakPolarHBondContact O-CB 3.33Å; S407-A411 PolarHBondContact O-N 2.73Å; V408-A411 PolarHBondContact O-N 3.15Å; N409-A411 VanDerWaalsContact C-N 3.33Å; N409-A411 PolarHBondContact O-N 2.82Å; A411-L413 VanDerWaalsContact C-N 3.28Å; A411-L413 PolarHBondContact O-N 3.44Å; A411-R414 CarbonylContact O-C 3.57Å; A411-R414 WeakPolarHBondContact O-CA 3.49Å; A411-R414 PolarHBondContact O-N 3.06Å; A411-E415 WeakPolarHBondContact O-CB 3.33Å; A411-E415 PolarHBondContact O-N 2.99Å
412R67.9Low64.1Low165 Ų165105.4 Ų105.462%0.62359%0.589SS**Hα-helixtrans-56.2-40.7175.1-74.8173.6175.5-91.81112.3V408 N409 E415 S416V408-R412 HydrophobicContact CG1-CG 4.46Å; V408-R412 WeakPolarHBondContact O-CB 3.4Å; V408-R412 WeakPolarHBondContact O-CG 3.17Å; V408-R412 PolarHBondContact O-N 3.27Å; N409-R412 PolarHBondContact O-N 3.09Å; R412-E415 PolarHBondContact O-N 3.47Å; R412-S416 WeakPolarHBondContact O-CB 3.2Å; R412-S416 PolarHBondContact O-N 3.08Å; R412-S416 PolarHBondContact O-OG 3.04Å
413L61.2Low63.4Low116 Ų116105.1 Ų105.161%0.60759%0.588SS**Hα-helixtrans-62.6-48174.6-171.666.5000111N409 A411 E415 S416 T417N409-L413 WeakPolarHBondContact O-CB 3.49Å; N409-L413 PolarHBondContact O-N 2.65Å; A411-L413 VanDerWaalsContact C-N 3.28Å; A411-L413 PolarHBondContact O-N 3.44Å; L413-E415 PolarHBondContact O-N 2.94Å; L413-S416 PolarHBondContact O-N 3.32Å; L413-S416 PolarHBondContact O-OG 3.16Å; L413-T417 PolarHBondContact O-N 2.86Å; L413-T417 VanDerWaalsContact O-N 3.13Å; L413-T417 PolarHBondContact O-OG1 2.89Å
414R64.2Low63Low168 Ų168102.9 Ų102.963%0.63458%0.581SS**Hα-helixtrans-67.7-17.9175.9-77.4-60.6-52.6-166.81.8115K410 A411 T417 N418K410-R414 WeakPolarHBondContact O-CB 3.47Å; K410-R414 WeakPolarHBondContact O-CG 3.41Å; K410-R414 PolarHBondContact O-N 3.41Å; A411-R414 CarbonylContact O-C 3.57Å; A411-R414 WeakPolarHBondContact O-CA 3.49Å; A411-R414 PolarHBondContact O-N 3.06Å; R414-T417 WeakPolarHBondContact CA-OG1 3.22Å; R414-T417 PolarHBondContact O-OG1 2.89Å; R414-T417 VanDerWaalsContact O-OG1 3.06Å; R414-N418 PolarHBondContact O-ND2 2.9Å; R414-N418 PolarHBondContact O-OD1 2.9Å
415E55.6Low62.2Low140 Ų140106.4 Ų106.465%0.65460%0.595SS**Hα-helixtrans-84.4-41.6173.2-168.1166.7-137.500110.2A411 R412 L413 T417 N418A411-E415 WeakPolarHBondContact O-CB 3.33Å; A411-E415 PolarHBondContact O-N 2.99Å; R412-E415 PolarHBondContact O-N 3.47Å; L413-E415 PolarHBondContact O-N 2.94Å; E415-T417 VanDerWaalsContact C-N 3.32Å; E415-T417 PolarHBondContact O-N 2.89Å; E415-N418 WeakPolarHBondContact O-CB 3.46Å; E415-N418 PolarHBondContact O-N 3.4Å; E415-N418 PolarHBondContact O-ND2 3.08Å
416S55.2Low61.7Low75 Ų75110 Ų11052%0.52461%0.606SS.*Hα-helixtrans-64.3-31.4176.273.70000113.8R412 L413 N418R412-S416 WeakPolarHBondContact O-CB 3.2Å; R412-S416 PolarHBondContact O-N 3.08Å; R412-S416 PolarHBondContact O-OG 3.04Å; L413-S416 PolarHBondContact O-N 3.32Å; L413-S416 PolarHBondContact O-OG 3.16Å; S416-N418 PolarHBondContact O-N 3.28Å; S416-N418 VanDerWaalsContact O-N 3.08Å
417T55.4Low61.5Low80 Ų80109.8 Ų109.849%0.49160%0.602SS.*THydrogen-bonded Turntrans-67.2-5.5177.448.10000114.6L413 R414 E415L413-T417 PolarHBondContact O-N 2.86Å; L413-T417 VanDerWaalsContact O-N 3.13Å; L413-T417 PolarHBondContact O-OG1 2.89Å; R414-T417 WeakPolarHBondContact CA-OG1 3.22Å; R414-T417 PolarHBondContact O-OG1 2.89Å; R414-T417 VanDerWaalsContact O-OG1 3.06Å; E415-T417 VanDerWaalsContact C-N 3.32Å; E415-T417 PolarHBondContact O-N 2.89Å
418N56.6Low60.8Low117 Ų117110.6 Ų110.663%0.62660%0.604SS**THydrogen-bonded Turntrans-97.13.7-174.1-51.8-27.8000113.1R414 E415 S416R414-N418 PolarHBondContact O-ND2 2.9Å; R414-N418 PolarHBondContact O-OD1 2.9Å; E415-N418 WeakPolarHBondContact O-CB 3.46Å; E415-N418 PolarHBondContact O-N 3.4Å; E415-N418 PolarHBondContact O-ND2 3.08Å; S416-N418 PolarHBondContact O-N 3.28Å; S416-N418 VanDerWaalsContact O-N 3.08Å
419S52.9Low60.1Low114 Ų114113 Ų11380%0.79761%0.611SS**SBendtrans-130.564.1-172.6-164.80000112.9
420G45Very low59.5Low60 Ų60111.3 Ų111.362%0.61961%0.614SS**SBendtrans151.6125.1173.600000112.4V422G420-V422 PolarHBondContact O-N 3.4Å
421V54.4Low58.3Low135 Ų135112.2 Ų112.282%0.81862%0.621SS**  trans-68.6120.8-178.31790000110.6L423V421-L423 HydrophobicContact CG1-CD2 3.78Å
422V47.7Very low57.5Low139 Ų139117.3 Ų117.384%0.84264%0.637SS**  trans-126.1124.7164.8-176.10000106.6G420G420-V422 PolarHBondContact O-N 3.4Å
423L56.7Low56.8Low99 Ų99118.8 Ų118.852%0.51865%0.648SS.*  trans-79.6156.9-178.5-56.4-175.8000111V421 E427V421-L423 HydrophobicContact CG1-CD2 3.78Å; L423-E427 HydrophobicContact CB-CB 4.34Å; L423-E427 WeakPolarHBondContact CB-OE2 3.4Å; L423-E427 HydrophobicContact CD1-CG 4.48Å
424S64.1Low56.5Low63 Ų63116.3 Ų116.344%0.44165%0.651SS.*  trans-68154.4174.4-169.70000110.9E426 E427S424-E426 PolarHBondContact O-N 3.36Å; S424-E426 PolarHBondContact OG-OE2 3.47Å; S424-E427 WeakPolarHBondContact O-CB 3.21Å; S424-E427 PolarHBondContact O-N 3.19Å; S424-E427 VanDerWaalsContact O-N 3.08Å
425L52.7Low55.6Low131 Ų131117.5 Ų117.569%0.68667%0.665SS**Hα-helixtrans-56.2-41.6176.2-174.563000111.5E427 V428 E429L425-E427 PolarHBondContact O-N 3.19Å; L425-V428 PolarHBondContact O-N 2.9Å; L425-E429 PolarHBondContact O-N 3.19Å
426E64.2Low54.9Low152 Ų152120.6 Ų120.671%0.7168%0.677SS**Hα-helixtrans-61-27.8178-69.3159.7112.400113.6S424 E429 G430S424-E426 PolarHBondContact O-N 3.36Å; S424-E426 PolarHBondContact OG-OE2 3.47Å; E426-E429 PolarHBondContact O-N 2.93Å; E426-G430 PolarHBondContact O-N 3.48Å
427E66.6Low54.2Low112 Ų112125.2 Ų125.252%0.52370%0.695SS.*Hα-helixtrans-73.6-32.4-178.5-157.6172.7167.400111.3L423 S424 L425L423-E427 HydrophobicContact CB-CB 4.34Å; L423-E427 WeakPolarHBondContact CB-OE2 3.4Å; L423-E427 HydrophobicContact CD1-CG 4.48Å; S424-E427 WeakPolarHBondContact O-CB 3.21Å; S424-E427 PolarHBondContact O-N 3.19Å; S424-E427 VanDerWaalsContact O-N 3.08Å; L425-E427 PolarHBondContact O-N 3.19Å
428V61Low53.1Low86 Ų86125.3 Ų125.352%0.52171%0.711SS.*Hα-helixtrans-74.4-34.3175.1-176.90000111.5L425 G430L425-V428 PolarHBondContact O-N 2.9Å; V428-G430 VanDerWaalsContact C-N 3.29Å; V428-G430 PolarHBondContact O-N 3.23Å
429E64.4Low51.9Low122 Ų122125 Ų12557%0.5772%0.718SS**Hα-helixtrans-69.5-25.7178.2-67.6-174-175.100113.1L425 E426L425-E429 PolarHBondContact O-N 3.19Å; E426-E429 PolarHBondContact O-N 2.93Å
430G57.9Low50.7Low54 Ų54128.1 Ų128.156%0.55772%0.72SS**Hα-helixtrans-67.6-44.2175.400000114.1E426 V428 M432E426-G430 PolarHBondContact O-N 3.48Å; V428-G430 VanDerWaalsContact C-N 3.29Å; V428-G430 PolarHBondContact O-N 3.23Å; G430-M432 VanDerWaalsContact C-N 3.32Å; G430-M432 PolarHBondContact O-N 3.33Å
431E51.2Low50.6Low172 Ų172129.5 Ų129.580%0.80472%0.718SS**Hα-helixtrans-65.5-35.1-174.4-164.2-178.9179.100112.2K433E431-K433 VanDerWaalsContact C-N 3.28Å; E431-K433 PolarHBondContact O-N 3.46Å
432M52.9Low49.3Very low164 Ų164134.2 Ų134.281%0.80872%0.721SS**THydrogen-bonded Turntrans-64.6-20.6-174.6-81.3-76.1-71.600115.4G430G430-M432 VanDerWaalsContact C-N 3.32Å; G430-M432 PolarHBondContact O-N 3.33Å
433K52.5Low48.3Very low195 Ų195132.9 Ų132.985%0.84871%0.713SS**THydrogen-bonded Turntrans-87.5-1.3-175-71.1-169.8176.9176.20115E431E431-K433 VanDerWaalsContact C-N 3.28Å; E431-K433 PolarHBondContact O-N 3.46Å
434G55.8Low46.9Very low65 Ų65135.3 Ų135.367%0.6772%0.722SS**SBendtrans-82.3-22.3-166.700000118.2
435M44.9Very low45.2Very low192 Ų192140.7 Ų140.795%0.94674%0.737SS**  trans-114116.8-166.5-65.7-17269.200113.3
436K40Very low44Very low205 Ų205140.6 Ų140.689%0.89174%0.742SS**  trans-114.5160.6-171.3-147.8173.8-176.1-178.90113.2
437L41.3Very low42.1Very low173 Ų173138.1 Ų138.191%0.90674%0.741SS**  trans-46.4152.1-173.2-62.3160.5000117.2
438G31.2Very low41.3Very low81 Ų81138.2 Ų138.284%0.83575%0.752SS**  trans-161.3135161.400000110.5
439S32.3Very low40.6Very low110 Ų110139 Ų13977%0.76976%0.758SS**  trans-124.6148.1-163.354.40000114.3
440E27.2Very low39Very low180 Ų180142 Ų14284%0.84177%0.773SS**  trans65168.2158.4-80.9-110.9113.700116.9
441P42.6Very low37.6Very low89 Ų89148.6 Ų148.658%0.57879%0.786SS**  -146.9176.2-5043-27.2000117.9
442R28.6Very low36.7Very low234 Ų234143.6 Ų143.688%0.88378%0.781SS**  trans79.9151.6139.6-135.4177.5-168.8-173.85.2121.7
443V25.9Very low35.7Very low111 Ų111143.7 Ų143.767%0.67378%0.784SS**  trans88.6114.9159.4-172.30000119.2
444Q28.1Very low34.9Very low150 Ų150138.2 Ų138.270%0.70178%0.784SS**  trans25.7152.6133.5-4517919.200120.2
445K28.8Very low34Very low176 Ų176141.5 Ų141.577%0.76579%0.791SS**  cis-165.3172.829.5-147.5155.2-171.9151.40114.1
446V26.1Very low34Very low130 Ų130138.1 Ų138.179%0.78878%0.783SS**  trans-37156.4175.3-1750000118.4
447S25.3Very low33.6Very low99 Ų99137.3 Ų137.369%0.69278%0.78SS**  trans-79-166.2174.559.40000113.9
448P50.1Low33.6Very low115 Ų115137.3 Ų137.375%0.74778%0.778SS**  cis-121.8-129.3-14.236.1-13.4000109.2
449P46.1Very low33.8Very low101 Ų101137 Ų13766%0.65677%0.767SS**  cis-133179.5-32.840.2-23000116.2
450Q29.9Very low34Very low187 Ų187140.3 Ų140.387%0.87477%0.771SS**  trans63156.2159.2-70.3-177.1-13.900120.7
451K29.6Very low34.6Very low191 Ų191140.6 Ų140.683%0.8377%0.771SS**  cis-171.3114.7-36.6178.6-178.5175.9-176.20111.3
452G30.8Very low34.4Very low67 Ų67144.1 Ų144.169%0.69179%0.785SS**  trans80.5157.8155.100000117.8
453N33.1Very low34.7Very low166 Ų166140.7 Ų140.789%0.88878%0.779SS**  cis-149.8156.5-5.7-87.1-4.9000108.8
454G34.6Very low35Very low81 Ų81144.4 Ų144.484%0.83579%0.789SS**  trans162.699168.300000115.8
455T38.2Very low35.3Very low133 Ų133141.9 Ų141.982%0.81679%0.793SS**  trans-89.3169.9165.542.70000110.2
456P44.6Very low35.8Very low121 Ų121140.9 Ų140.979%0.78680%0.795SS**  cis-13716515.242.7-26.2000117.1
457F31.3Very low36.5Very low189 Ų189141.8 Ų141.883%0.82980%0.801SS**SBend-173151.1119.1-163.3-117.2000108.3
458M40.7Very low36.7Very low173 Ų173140.9 Ų140.985%0.85281%0.807SS**SBendtrans6344.3-176.3-52-142.372.900116.7
459A36.2Very low36Very low75 Ų75139.3 Ų139.362%0.6281%0.812SS**  trans-14641.7174.800000113.9
460E36.3Very low35Very low179 Ų179140.8 Ų140.884%0.83683%0.825SS**SBendtrans-129.7-4.3-176-165.3165.5-168.700114.4
461H38.7Very low35Very low186 Ų186136.5 Ų136.586%0.86182%0.821SS**SBendtrans-123.110.3-169-109.2-103.7000116
462L39Very low35Very low163 Ų163133.4 Ų133.485%0.85382%0.824SS**SBendtrans-141.55.6179.4-79.1177000115.6
463E35.1Very low35.3Very low162 Ų162141.6 Ų141.676%0.75783%0.834SS**SBendtrans-113.4-14.3-179.2-65.8-169.4-158.900114.6A465 L466E463-A465 PolarHBondContact O-N 2.99Å; E463-L466 PolarHBondContact O-N 3.48Å
464E32.8Very low35.6Very low189 Ų189138.3 Ų138.388%0.88382%0.822SS**THydrogen-bonded Turntrans-65.9116.5145.5-69.3-160.9133.900107
465A33.3Very low35.4Very low96 Ų96145.9 Ų145.979%0.79383%0.825SS**THydrogen-bonded Turncis-138.152.629.300000114.5E463E463-A465 PolarHBondContact O-N 2.99Å
466L40.3Very low35.2Very low156 Ų156144 Ų14482%0.81782%0.818SS**SBendtrans-12885.3179.1-73.7179000115.6E463E463-L466 PolarHBondContact O-N 3.48Å
467T41Very low34.8Very low148 Ų148149.9 Ų149.991%0.90882%0.824SS**  trans113.7112.1139.5-43.90000117.7
468G28.6Very low35.2Very low80 Ų80147.4 Ų147.483%0.82582%0.819SS**  trans142.3132.6156.200000114.8
469G34.8Very low35.8Very low82 Ų82144.7 Ų144.785%0.84581%0.813SS**  cis148.181.3-15.700000116
470S27.1Very low37Very low132 Ų132146.9 Ų146.992%0.92381%0.814SS**  trans-157.4-179.9158.377.90000111.7
471A29.7Very low38.2Very low97 Ų97143.1 Ų143.180%0.80280%0.798SS**  trans-113.6133.5-155.300000116.3
472S29.7Very low39.2Very low126 Ų126136.9 Ų136.988%0.88178%0.775SS**  trans-168163.6132.752.90000111.8
473R36.2Very low40.1Very low239 Ų239132.9 Ų132.990%0.90277%0.765SS**  trans-139163.5177.5-132-167153.3-179.4-5.4106.3
474P39.8Very low41.5Very low97 Ų97131.3 Ų131.363%0.6376%0.756SS**  cis-140.4169.72.242.3-25.7000116.7
475R30.9Very low43Very low241 Ų241126.4 Ų126.491%0.90974%0.736SS**  -162.4168.2125.3-108.8156.3-174174.11.2114.2
476S33.2Very low44.8Very low94 Ų94129.2 Ų129.266%0.65773%0.73SS**  trans-39.2139.1-17435.60000117.4
477R36.2Very low46.2Very low244 Ų244126.7 Ų126.792%0.92172%0.717SS**  trans-113.7106.5151.1-173.1178.5-167.2168.95.8106.6
478D39.9Very low47.6Very low136 Ų136122.5 Ų122.573%0.72769%0.691SS**  trans-71.8148.9176-75.5-64.3000111.3D480D478-D480 PolarHBondContact O-N 2.84Å
479T52.7Low48.7Very low116 Ų116122.7 Ų122.771%0.71268%0.68SS**  trans-91.379175.7-52.70000108.6M481T479-M481 HydrophobicContact CG2-CE 3.66Å; T479-M481 HydrophobicContact CG2-SD 4.02Å; T479-M481 PolarHBondContact O-N 3.34Å
480D60.9Low49.7Very low122 Ų122123.3 Ų123.365%0.65267%0.671SS**  trans-71.495.1-179.8-174.418.7000111.8D478 S482D478-D480 PolarHBondContact O-N 2.84Å; D480-S482 PolarHBondContact O-N 3.27Å; D480-S482 WeakPolarHBondContact OD1-CB 3.28Å; D480-S482 PolarHBondContact OD1-N 2.83Å; D480-S482 PolarHBondContact OD1-OG 2.81Å
481M61.4Low51.3Low100 Ų100124.2 Ų124.249%0.49366%0.663SS.*  trans-77.51.3175-128.178.27300113T479 A483 F484 N485T479-M481 HydrophobicContact CG2-CE 3.66Å; T479-M481 HydrophobicContact CG2-SD 4.02Å; T479-M481 PolarHBondContact O-N 3.34Å; M481-A483 VanDerWaalsContact C-N 3.29Å; M481-A483 PolarHBondContact O-N 3.36Å; M481-F484 HydrophobicContact CG-CB 4.4Å; M481-F484 HydrophobicContact CG-CD1 4.44Å; M481-F484 WeakPolarHBondContact O-CB 3.32Å; M481-F484 PolarHBondContact O-N 2.98Å; M481-N485 PolarHBondContact O-N 3.29Å
482S60.8Low52.4Low54 Ų54127.7 Ų127.738%0.37866%0.66SS.*Hα-helixtrans-62.2-30.6-169.1-61.20000114.3D480 K486D480-S482 PolarHBondContact O-N 3.27Å; D480-S482 WeakPolarHBondContact OD1-CB 3.28Å; D480-S482 PolarHBondContact OD1-N 2.83Å; D480-S482 PolarHBondContact OD1-OG 2.81Å; S482-K486 WeakPolarHBondContact O-CB 3.12Å; S482-K486 VanDerWaalsContact O-CG 3.26Å; S482-K486 WeakPolarHBondContact O-CG 3.38Å; S482-K486 PolarHBondContact O-N 2.96Å
483A56.9Low52.6Low79 Ų79130.5 Ų130.565%0.65366%0.659SS**Hα-helixtrans-64.8-43.5173.800000111.9M481 L487M481-A483 VanDerWaalsContact C-N 3.29Å; M481-A483 PolarHBondContact O-N 3.36Å; A483-L487 PolarHBondContact O-N 3.23Å; A483-L487 VanDerWaalsContact O-N 3.12Å
484F65.4Low52.8Low129 Ų129125 Ų12557%0.56665%0.654SS**Hα-helixtrans-67.2-44.2175.5-179.1-100.5000111.4M481 K486 L487 V488M481-F484 HydrophobicContact CG-CB 4.4Å; M481-F484 HydrophobicContact CG-CD1 4.44Å; M481-F484 WeakPolarHBondContact O-CB 3.32Å; M481-F484 PolarHBondContact O-N 2.98Å; F484-K486 VanDerWaalsContact C-N 3.33Å; F484-K486 PolarHBondContact O-N 3.43Å; F484-L487 PolarHBondContact O-N 3.25Å; F484-V488 HydrophobicContact CD1-CG2 4.18Å; F484-V488 HydrophobicContact CE1-CG2 3.85Å; F484-V488 HydrophobicContact CE2-CG2 4.21Å; F484-V488 HydrophobicContact CZ-CG2 3.87Å; F484-V488 WeakPolarHBondContact O-CB 3.5Å; F484-V488 WeakPolarHBondContact O-CG2 3.46Å; F484-V488 PolarHBondContact O-N 3.2Å
485N65.1Low52.5Low86 Ų86125.9 Ų125.946%0.4666%0.663SS.*Hα-helixtrans-65-34.7178.1-69.5-18.7000112.5M481 S489M481-N485 PolarHBondContact O-N 3.29Å; N485-S489 WeakPolarHBondContact O-CB 3.22Å; N485-S489 PolarHBondContact O-N 3.49Å; N485-S489 PolarHBondContact O-OG 2.8Å
486K69.6Low52.5Low155 Ų155122.1 Ų122.167%0.67466%0.661SS**Hα-helixtrans-64.7-47171.7-79175.7178-178.20111.4S482 F484 V488 S489 S490S482-K486 WeakPolarHBondContact O-CB 3.12Å; S482-K486 VanDerWaalsContact O-CG 3.26Å; S482-K486 WeakPolarHBondContact O-CG 3.38Å; S482-K486 PolarHBondContact O-N 2.96Å; F484-K486 VanDerWaalsContact C-N 3.33Å; F484-K486 PolarHBondContact O-N 3.43Å; K486-V488 PolarHBondContact O-N 3.34Å; K486-S489 PolarHBondContact O-N 2.95Å; K486-S489 VanDerWaalsContact O-N 3.16Å; K486-S490 PolarHBondContact O-N 3.46Å; K486-S490 PolarHBondContact O-OG 3.35Å
487L70.9Confident52.5Low103 Ų103127 Ų12754%0.53967%0.673SS.*Hα-helixtrans-60.8-43.9177.5-174.366.3000112.4A483 F484 S489 S490 M491A483-L487 PolarHBondContact O-N 3.23Å; A483-L487 VanDerWaalsContact O-N 3.12Å; F484-L487 PolarHBondContact O-N 3.25Å; L487-S489 VanDerWaalsContact C-N 3.29Å; L487-S489 PolarHBondContact O-N 2.92Å; L487-S490 WeakPolarHBondContact CA-OG 3.39Å; L487-S490 PolarHBondContact O-N 2.93Å; L487-S490 PolarHBondContact O-OG 3.32Å; L487-M491 WeakPolarHBondContact O-CB 3.48Å; L487-M491 PolarHBondContact O-N 3.4Å
488V69.6Low52.2Low61 Ų61120.8 Ų120.837%0.3767%0.667SS.*Hα-helixtrans-66.7-30.7176.4170.60000111.8F484 K486 K492F484-V488 HydrophobicContact CD1-CG2 4.18Å; F484-V488 HydrophobicContact CE1-CG2 3.85Å; F484-V488 HydrophobicContact CE2-CG2 4.21Å; F484-V488 HydrophobicContact CZ-CG2 3.87Å; F484-V488 WeakPolarHBondContact O-CB 3.5Å; F484-V488 WeakPolarHBondContact O-CG2 3.46Å; F484-V488 PolarHBondContact O-N 3.2Å; K486-V488 PolarHBondContact O-N 3.34Å; V488-K492 WeakPolarHBondContact O-CB 3.49Å
489S52.6Low51.7Low84 Ų84121.4 Ų121.459%0.58768%0.676SS**Hα-helixtrans-74.7-42.7174.7-570000112.3N485 K486 L487 M491 K492N485-S489 WeakPolarHBondContact O-CB 3.22Å; N485-S489 PolarHBondContact O-N 3.49Å; N485-S489 PolarHBondContact O-OG 2.8Å; K486-S489 PolarHBondContact O-N 2.95Å; K486-S489 VanDerWaalsContact O-N 3.16Å; L487-S489 VanDerWaalsContact C-N 3.29Å; L487-S489 PolarHBondContact O-N 2.92Å; S489-M491 PolarHBondContact O-N 3.34Å; S489-K492 PolarHBondContact O-N 3.11Å
490S55.8Low50.8Low95 Ų95120 Ų12066%0.66468%0.675SS**Hα-helixtrans-65.8-21.8176.950.40000114K486 L487K486-S490 PolarHBondContact O-N 3.46Å; K486-S490 PolarHBondContact O-OG 3.35Å; L487-S490 WeakPolarHBondContact CA-OG 3.39Å; L487-S490 PolarHBondContact O-N 2.93Å; L487-S490 PolarHBondContact O-OG 3.32Å
491M59Low50Low150 Ų150120.3 Ų120.374%0.73968%0.684SS**THydrogen-bonded Turntrans-97.513.2-179.2-161.1164.958.400112.7L487 S489L487-M491 WeakPolarHBondContact O-CB 3.48Å; L487-M491 PolarHBondContact O-N 3.4Å; S489-M491 PolarHBondContact O-N 3.34Å
492K52.8Low48.4Very low170 Ų170123.1 Ų123.174%0.73970%0.7SS**  trans-133.951.6-173.6-157.8-176.7178.5-177.10113.8V488 S489V488-K492 WeakPolarHBondContact O-CB 3.49Å; S489-K492 PolarHBondContact O-N 3.11Å
493Q35.6Very low47.7Very low185 Ų185125.3 Ų125.386%0.86471%0.713SS**  trans-130.9113.5158.3-73.8-165.4-56.600110.3
494P39.8Very low46.2Very low124 Ų124128.7 Ų128.781%0.80572%0.72SS**  trans-74.7148.3157.633-31.8000109.5
495S32.3Very low44.3Very low115 Ų115130.1 Ų130.180%0.80473%0.734SS**  trans-90.6124.6172.353.90000110.7
496D31Very low42.3Very low163 Ų163129.6 Ų129.687%0.87274%0.742SS**  trans-141.9136160.3-103.5-42.1000109.4
497Q33.5Very low41.3Very low196 Ų196127.9 Ų127.992%0.91675%0.746SS**  trans-140.1121.2170.1-75.4-170.413.600109.1
498S29.7Very low39.9Very low113 Ų113127.6 Ų127.679%0.7975%0.751SS**  trans-157.8138.9153.474.80000112.9
499V30.2Very low38.1Very low150 Ų150132.7 Ų132.791%0.90977%0.77SS**  trans71.1147.1162.4-163.90000118.4
500A34.3Very low37Very low86 Ų86135.3 Ų135.371%0.71177%0.773SS**  trans-104.3-174.7-167.700000112.7
501P42.6Very low35.8Very low128 Ų128137.1 Ų137.183%0.83177%0.771SS**  -145.4-169.650.940.3-17.3000118.2
502L29.5Very low34.5Very low160 Ų160138.3 Ų138.384%0.83877%0.772SS**  trans-60.4174.9177.8-131.142.7000114.2
503P45.8Very low34Very low99 Ų99137.8 Ų137.864%0.64378%0.778SS**  cis-148.2-173.617.945.5-24.4000120.3
504D24.4Very low33.9Very low151 Ų151135.7 Ų135.781%0.80777%0.771SS**  trans48.7138.3155.6-61.8-28000121
505N25.8Very low33.3Very low159 Ų159139.4 Ų139.485%0.8578%0.775SS**  cis-168.3179.346-163.21.2000112
506A23.6Very low33.3Very low75 Ų75142.3 Ų142.362%0.6278%0.776SS**  trans-125.2-172.1170.200000110.2
507P47.6Very low34Very low119 Ų119139.1 Ų139.177%0.77377%0.771SS**  cis-120-145.7-12.742.4-23.9000109.3
508P41.7Very low33.9Very low97 Ų97134.5 Ų134.563%0.6375%0.753SS**  cis-134.2170.5-11.941.5-24.3000117
509Q31.6Very low34.1Very low167 Ų167136.2 Ų136.278%0.7875%0.752SS**  trans51.6136.5149.7-69.1174.4-49.500119.2
510Q30.2Very low34.9Very low140 Ų140133 Ų13365%0.65475%0.749SS**  cis-173.4175.318.4-119.8-178.8105.900109.1
511Q31.1Very low34.6Very low132 Ų132135.1 Ų135.162%0.61775%0.753SS**  cis-149.5148.8-2.8-156.9-171.7126.100111
512K31.4Very low33.9Very low176 Ų176138.4 Ų138.477%0.76575%0.749SS**  trans18.6129.7154.5-62.9170.2-163.8170.20122.6
513N41.6Very low33.8Very low159 Ų159134.8 Ų134.885%0.8574%0.737SS**  trans-64.5156.9156.2-75.8-55.1000113.5
514I33.5Very low33Very low141 Ų141134.4 Ų134.472%0.72374%0.737SS**  trans-130.8103.7162-59.4178000109.3Q516I514-Q516 HydrophobicContact CG2-CB 4.07Å
515F28.1Very low33.1Very low202 Ų202132.8 Ų132.889%0.88674%0.737SS**  trans-88.6127.4155.5-105.2-94000107.6
516Q31.5Very low33.6Very low176 Ų176130.4 Ų130.482%0.82273%0.73SS**  trans-13655.8179.8-157.7178.3121.600111I514I514-Q516 HydrophobicContact CG2-CB 4.07Å
517A45.7Very low34.4Very low95 Ų95133.4 Ų133.479%0.78574%0.741SS**  trans-10970.1176.600000109.9
518L32.2Very low33.7Very low100 Ų100132.2 Ų132.252%0.52473%0.733SS.*  trans-128.2140.2172.9-16680.9000109.5S523L518-S523 VanDerWaalsContact CD2-N 3.31Å
519L33.5Very low33Very low149 Ų149135.2 Ų135.278%0.7874%0.743SS**SBendtrans-20.6128.5164.5-58.8165.3000113.1V521 R522L519-V521 PolarHBondContact O-N 2.91Å; L519-R522 PolarHBondContact O-N 2.68Å
520G47.8Very low33.2Very low82 Ų82130.7 Ų130.785%0.84574%0.742SS**SBendtrans-49.5110.9-170.200000112.6
521V27.5Very low33.3Very low130 Ų130127.3 Ų127.379%0.78874%0.744SS**SBendtrans69.378-175.6-169.10000114.4L519L519-V521 PolarHBondContact O-N 2.91Å
522R28.8Very low33.2Very low198 Ų198128.3 Ų128.375%0.74775%0.753SS**  trans97.3149.4138.8-57.7163.572.2-137.63.6120L519L519-R522 PolarHBondContact O-N 2.68Å
523S26Very low33.2Very low83 Ų83128 Ų12858%0.5876%0.759SS**  trans65.7137.8154.6400000121.6L518L518-S523 VanDerWaalsContact CD2-N 3.31Å
524S29.5Very low32.7Very low92 Ų92123.6 Ų123.664%0.64375%0.751SS**  cis-178.6115.4-19.441.40000112.1
525S26.2Very low32.7Very low117 Ų117124.9 Ų124.982%0.81876%0.759SS**  trans56.1-171.6163.974.40000116.4
526P37Very low33Very low109 Ų109120.8 Ų120.871%0.70876%0.755SS**  cis-111.3-164.1-44.339.4-27.7000110.2P528P526-P528 WeakPolarHBondContact O-CD 3.48Å
527T40.4Very low33Very low137 Ų137121 Ų12184%0.8476%0.756SS**  trans-85129.2163.7-39.20000111.2
528P32.7Very low32.8Very low94 Ų94121.2 Ų121.261%0.6175%0.75SS**  trans-108.9152.4143.239.8-32.2000108.4P526P526-P528 WeakPolarHBondContact O-CD 3.48Å
529L26.3Very low32.8Very low161 Ų161121.4 Ų121.484%0.84376%0.76SS**  50.5132.364.2-55175.9000111.2
530G35.4Very low32.6Very low72 Ų72120.4 Ų120.474%0.74276%0.76SS**  cis104.398.320.800000108.4
531G33.5Very low31.8Very low69 Ų69122.1 Ų122.171%0.71175%0.754SS**  trans91.4167.4-167.100000113
532L27.9Very low32.5Very low153 Ų153121.6 Ų121.680%0.80175%0.753SS**  cis-145.6139.38.8-83.8172.7000112.5
533L32.3Very low32.6Very low169 Ų169115.1 Ų115.189%0.88575%0.748SS**  trans64.2162149.9-58.6166.4000118.4
534G30.6Very low33.4Very low66 Ų66117 Ų11768%0.6876%0.758SS**  trans92.468.9-179.200000112.7
535N33.9Very low33.5Very low169 Ų169121 Ų12190%0.90477%0.771SS**  44.489.789.1-75.918000114.6
536S34.1Very low33.7Very low115 Ų115124.9 Ų124.980%0.80478%0.776SS**  trans-147.7105.6134.163.50000110.7
537E31Very low33.3Very low180 Ų180123 Ų12384%0.84178%0.776SS**  trans-48161.5144.9-89.3-175.898.800111.1
538P41.5Very low32.8Very low101 Ų101124.4 Ų124.466%0.65678%0.778SS**  cis-147.3164.634.142-23.3000118.5
539S32Very low32.6Very low104 Ų104126.4 Ų126.473%0.72778%0.783SS**  trans59.9157.5137.475.70000119.9
540V30.7Very low32.9Very low128 Ų128126.8 Ų126.878%0.77678%0.78SS**  cis-172157.1-5.4114.10000106.1
541T31.5Very low32.6Very low117 Ų117133.5 Ų133.572%0.71879%0.788SS**  cis-174.2161.5-37.630.30000105.7
542P41.7Very low32.5Very low120 Ų120133.4 Ų133.478%0.77979%0.787SS**  cis-139-165.1-21.239.9-20.2000112.9
543G30.5Very low32.9Very low62 Ų62132.8 Ų132.864%0.63979%0.793SS**  trans-103174.3154.200000112.3
544P42.7Very low32.8Very low122 Ų122129.9 Ų129.979%0.79279%0.787SS**  -138.815612431.6-15.7000112.1
545L31.2Very low34Very low175 Ų175132.4 Ų132.492%0.91679%0.791SS**  cis84141.837.7-65.5-176.2000116.2
546H31.7Very low34.7Very low199 Ų199129 Ų12992%0.92178%0.778SS**  trans-73.2155.2-176.4-79.8-129.2000113.6
547G26.8Very low34.5Very low69 Ų69130.4 Ų130.471%0.71178%0.776SS**  trans149.2109.4142.800000119.3
548L30.9Very low34.6Very low167 Ų167132.6 Ų132.687%0.87478%0.778SS**  trans57.5136.2135.4-65169000123.5
549L28.6Very low33.9Very low136 Ų136131.8 Ų131.871%0.71278%0.78SS**  trans77.2113.7146.2-94.575.2000123
550H32.3Very low33.8Very low170 Ų170136.2 Ų136.279%0.78779%0.789SS**  trans29.2116.5139.1-51-49.4000122.3
551K29.5Very low33.6Very low212 Ų212142.1 Ų142.192%0.92280%0.797SS**  -172.1156.3108.5-102.9167.5-179177.30112.3
552G31.8Very low33.7Very low67 Ų67140.9 Ų140.969%0.69180%0.799SS**  trans-82.1-175166.100000112.3
553P36.1Very low33.7Very low140 Ų140141.3 Ų141.391%0.90980%0.802SS**  cis-133.4-163.343.541.7-25.5000115.4
554S30Very low33.8Very low109 Ų109142.8 Ų142.876%0.76280%0.802SS**  trans-131.3-173.2-176.356.80000111.9
555P55.9Low34.2Very low118 Ų118143 Ų14377%0.76680%0.804SS**  -94.6-87.3-62.526-16.2000113
556P48.1Very low34.4Very low97 Ų97141.2 Ų141.263%0.6380%0.795SS**  cis-136-179.8-19.645-27.4000116.8
557L30.8Very low34.3Very low146 Ų146142.1 Ų142.176%0.76479%0.792SS**  trans66.5120.5158.9-49.9-172.7000123.3
558Y31.8Very low34.7Very low225 Ų225147 Ų14788%0.88279%0.794SS**  29.2150.4118.1-67.2-68000122.1
559A27.3Very low34.8Very low84 Ų84145.7 Ų145.769%0.69479%0.788SS**  cis-167.7-159.80.500000112.2
560Q29.5Very low34.9Very low197 Ų197145.7 Ų145.792%0.92179%0.789SS**  trans91.1124.9169-62.6-167.5-92.700119.8
561R26.8Very low34.8Very low253 Ų253148.4 Ų148.496%0.95579%0.792SS**  trans-147.1102.5161.7179.6-167.3-178.9101.40.4109.6
562A34.5Very low35.1Very low91 Ų91146 Ų14675%0.75279%0.786SS**  trans-175.8147.6163.200000107
563P40.8Very low35.8Very low129 Ų129148.3 Ų148.384%0.83879%0.788SS**  -138.9167.973.537.6-21.6000116
564S32.5Very low37Very low92 Ų92147 Ų14764%0.64378%0.78SS**  trans-90.9-172.7162.756.30000110.9
565P52.3Low37Very low128 Ų128146.7 Ų146.783%0.83178%0.784SS**  -149-178.482.139-18.8000116.5
566D33.5Very low35.8Very low137 Ų137146.1 Ų146.173%0.73379%0.789SS**  trans-108.7169.9-164.6-47-102.1000115.9
567Y31.2Very low34.8Very low217 Ų217144.5 Ų144.585%0.85179%0.79SS**  trans-172.1159.5148.1-88.1-41.7000109.6
568F34.4Very low34.8Very low173 Ų173147.6 Ų147.676%0.75980%0.798SS**  cis-133.7-155.7-1.9-149.8-98.5000109.9
569N33.4Very low35.7Very low138 Ų138142.7 Ų142.774%0.73879%0.794SS**  trans-155155.8-169.3-159.9-17.5000115.1
570N30.5Very low35.9Very low137 Ų137143.1 Ų143.173%0.73380%0.797SS**  trans159147.3155.9-90.6-52.2000109.9
571R29.9Very low35.8Very low227 Ų227137 Ų13786%0.85779%0.787SS**  cis-162.2153.7-1.7158.5-177.8-83-133.21.8109.9
572M36.7Very low36.6Very low162 Ų162130.2 Ų130.280%0.79878%0.776SS**  trans-94.9-177.9-179.8-74-85.5-80.100113
573P46.1Very low36.4Very low114 Ų114133.8 Ų133.874%0.7478%0.777SS**  cis-143.8-147.519.236.7-8.5000115.3
574P61.3Low35.8Very low114 Ų114132.2 Ų132.274%0.7477%0.769SS**  -135.7-172.8-7743.9-26.8000117.7
575A29.9Very low35.7Very low102 Ų102136 Ų13684%0.84378%0.781SS**  trans78.6135.1161.200000118.4
576A30Very low34.8Very low105 Ų105137.3 Ų137.387%0.86878%0.781SS**  cis-147.9-166.3-1.600000109.8
577G28.5Very low35.1Very low64 Ų64135.8 Ų135.866%0.6678%0.778SS**  cis-178.7-156.19.400000113.3
578F30.8Very low35Very low211 Ų211133.2 Ų133.293%0.92577%0.774SS**  trans-149.9178-179.3-87.8-76.1000109.3
579P49.1Very low34.7Very low122 Ų122132.5 Ų132.579%0.79277%0.773SS**  cis-125.6-158.97.339.4-17.4000112.7
580A32.7Very low34.6Very low93 Ų93134.3 Ų134.377%0.76977%0.774SS**  cis-156.8171.712.900000113.7
581G27.1Very low34.4Very low69 Ų69133.8 Ų133.871%0.71177%0.771SS**  trans-101.8-144.2162.900000111.8
582P43.2Very low34.4Very low110 Ų110130.7 Ų130.771%0.71477%0.77SS**  cis-142.1-158.10.738.4-14.9000114.8
583Q30.9Very low34.2Very low165 Ų165130.8 Ų130.877%0.77177%0.769SS**  trans74.2140.2173-38.3-53.7-0.900117.3
584S28.1Very low33.4Very low97 Ų97136 Ų13668%0.67877%0.773SS**  cis94.3109.311.7-163.70000117.2
585L30.7Very low32Very low171 Ų171134.6 Ų134.690%0.89577%0.767SS**  trans170.6155135-93.2166.6000113.8
586L33.8Very low31.9Very low156 Ų156137.2 Ų137.282%0.81777%0.765SS**  trans-95.8175.6161.6-89.1164.4000108.8
587P39.5Very low31.7Very low104 Ų104137.1 Ų137.168%0.67576%0.758SS**  cis-142.8-179.815.345.9-26.9000117.5
588E29.3Very low32.9Very low163 Ų163139.1 Ų139.176%0.76276%0.759SS**  trans56.8124.4131.3-167.1165.9-166.700125.3
589Q27.3Very low32.9Very low158 Ų158134.4 Ų134.474%0.73875%0.752SS**  trans76.7113.4138.6-166154.9-82.900125.4
590F30.7Very low32.3Very low177 Ų177137.3 Ų137.378%0.77676%0.755SS**  trans36.1141.6139.9-73.6-102.4000126.1
591D26.3Very low32.5Very low125 Ų125140.4 Ų140.467%0.66875%0.754SS**  trans65.9141.6145-77.5-43.5000124.2
592I29.6Very low32.8Very low163 Ų163143.8 Ų143.884%0.83675%0.751SS**  -179.2151121.5-92.3160.4000113.3
593H34.2Very low32.1Very low164 Ų164144.1 Ų144.176%0.75974%0.744SS**  trans-86.1160.1-161.5-41.4-95.2000118.8
594R27.6Very low32.1Very low222 Ų222146.9 Ų146.984%0.83875%0.748SS**  trans-166.3109.9143-135.9168.7-172.5-88.20.5109.8
595S32Very low32.2Very low86 Ų86146 Ų14660%0.60175%0.746SS**  cis8811541.981.10000115.4
596I27.6Very low32.2Very low157 Ų157145.7 Ų145.781%0.80574%0.744SS**  trans162.3149.5134.8-84.3158.5000112.4
597S26.7Very low31.9Very low103 Ų103143.4 Ų143.472%0.7274%0.741SS**  trans-134.4-179.2173.564.40000109.4
598P53.2Low31.5Very low106 Ų106146.2 Ų146.269%0.68875%0.75SS**  -163.9163.680.843.5-22000120.2
599S31.5Very low32.4Very low111 Ų111143.8 Ų143.878%0.77675%0.748SS**  trans55.3162.5136.866.60000125.4
600Q35.9Very low32.7Very low184 Ų184141.9 Ų141.986%0.8675%0.747SS**  cis-175.6-172.3-47.8-130.6-163.52300112
601Q37.1Very low32.9Very low158 Ų158139.5 Ų139.574%0.73874%0.743SS**  trans88.4145.5168.8-54.1-167.98.400117
602Q34.2Very low33Very low140 Ų140141.6 Ų141.665%0.65475%0.748SS**  cis-169.4169.2-10.6-105.4-172.6106.700107.4
603M27.3Very low33.1Very low116 Ų116137.8 Ų137.857%0.57174%0.741SS**  cis-164.6152.2-3.1-133.8-157.3-51.800111.6
604R31.3Very low32.9Very low224 Ų224136.5 Ų136.585%0.84574%0.74SS**  trans60.3162.4150.4-72.5-179.5-178.2153.74.7122.3
605A30.7Very low33.4Very low77 Ų77132.6 Ų132.664%0.63674%0.735SS**  cis-179.4174.4-32.700000112.1
606L29.6Very low33.7Very low165 Ų165136.1 Ų136.186%0.86474%0.742SS**  trans78.6161.5160.9-50.3-177000119.2
607S27.9Very low33.8Very low108 Ų108134.9 Ų134.976%0.75574%0.742SS**  -171.8165-60.649.80000112.7
608L32.3Very low34.4Very low163 Ų163138.1 Ų138.185%0.85375%0.75SS**  trans-53.8174.9176.4-77.2156.9000116.2
609P47.8Very low33.3Very low112 Ų112138.1 Ų138.173%0.72776%0.758SS**  cis-159177.333.546.4-23.7000123.3
610V32.7Very low33.4Very low118 Ų118140.6 Ų140.672%0.71576%0.762SS**  trans87.2120133.1147.50000126.4
611N35.7Very low33.1Very low128 Ų128140 Ų14068%0.68476%0.759SS**  trans61.2160.9136.4-65.311000125.3
612Q27.9Very low32.8Very low168 Ų168140.5 Ų140.579%0.78576%0.762SS**  cis-175.9173.5-23.1178.4165.21.800111.2
613A30.9Very low32.5Very low83 Ų83140.8 Ų140.869%0.68677%0.768SS**  trans99.7139.3169.500000115.8
614D31Very low32.8Very low138 Ų138142.7 Ų142.774%0.73878%0.78SS**  cis-147.7145.5-5.5-89-28000108.6
615L37.5Very low32.8Very low140 Ų140136.1 Ų136.173%0.73377%0.773SS**  55.9138.484.3-87.982000116.4
616E37.7Very low32.8Very low160 Ų160139.6 Ų139.675%0.74878%0.78SS**  cis-171.2-169.3-16.8-140.3-172-108.900112.1
617V30.6Very low33Very low131 Ų131140.7 Ų140.779%0.79478%0.781SS**  trans87.6145.4160.6-163.10000120.8
618L39.3Very low32.9Very low171 Ų171139.1 Ų139.190%0.89578%0.781SS**  trans-109155.2-177.5-64.5150.6000112.7
619A29.8Very low33.1Very low105 Ų105140.3 Ų140.387%0.86878%0.782SS**  trans-153.3156.5164.300000115.8
620L34.1Very low33Very low163 Ų163140.9 Ų140.985%0.85379%0.786SS**  trans-60.1153.6-161.5-94.455.1000122
621Q30Very low32.8Very low172 Ų172140.5 Ų140.580%0.80479%0.788SS**  trans-44.1141.4147.8170.5-172.410.100117.5
622Q29.8Very low32.5Very low168 Ų168144 Ų14479%0.78580%0.798SS**  trans166132.8144.6-91.5160.72800106.8
623D28.3Very low32.6Very low147 Ų147144.6 Ų144.679%0.78680%0.8SS**  cis83153.544.3-161.428000114.7
624L33Very low32.7Very low156 Ų156146 Ų14682%0.81781%0.805SS**  trans81.1157.8-179.8-67.5142.8000118.5
625A31.6Very low32.7Very low86 Ų86142.2 Ų142.271%0.71180%0.799SS**  trans-144.4-173.7-165.400000112.2
626L31.9Very low32.2Very low149 Ų149145.9 Ų145.978%0.7880%0.804SS**  trans97.2135.7161.2-58.5174.6000120.9
627H32.2Very low31.8Very low189 Ų189144.8 Ų144.888%0.87580%0.804SS**  trans69.4139.6150.8-68.9-54000122.8
628G27.1Very low32Very low74 Ų74146.9 Ų146.976%0.76380%0.802SS**  trans176.151.1-179.600000116.9
629H36.1Very low31.5Very low189 Ų189146.1 Ų146.188%0.87579%0.794SS**  trans-114.4169.4163.3-73.3-39.4000108.1
630P46.5Very low31.4Very low124 Ų124147.3 Ų147.381%0.80579%0.785SS**  cis-147.7-176.822.144.3-24.3000118.3
631S26.9Very low31.4Very low109 Ų109147.7 Ų147.776%0.76278%0.782SS**  trans-165.6165.7155.370.80000109.4
632F30.1Very low31.3Very low203 Ų203146.8 Ų146.889%0.8978%0.783SS**  cis-140.5-131-13.5-139.7-49.3000109.9
633Q30.7Very low31.6Very low180 Ų180149.4 Ų149.484%0.84179%0.786SS**  trans-154.1162.2-174.9-104.4-163.66.500117.5
634S32.8Very low31.6Very low112 Ų112148.2 Ų148.278%0.78379%0.789SS**  trans84.7137.7155.8-151.40000119.1
635G29.6Very low31.5Very low59 Ų59150.5 Ų150.561%0.60879%0.793SS**  cis174.7178.5-5.400000115.8
636Y28.3Very low31.5Very low216 Ų216156.9 Ų156.985%0.84780%0.798SS**  trans72.3126.5174.9-60-88.4000118.1
637N30Very low31.3Very low138 Ų138156.4 Ų156.474%0.73880%0.797SS**  cis94.711725.5-162.62.3000111.8
638K33.2Very low31.4Very low175 Ų175158.8 Ų158.876%0.76180%0.798SS**  -147.4-167.866.1-65.5-178.3178.8-178.90112.7
639H29.9Very low32.1Very low155 Ų155160.4 Ų160.472%0.71880%0.795SS**  cis-154.9-118.816-155.2-147.3000116.4
640L26.5Very low31.8Very low130 Ų130159 Ų15968%0.68179%0.788SS**  trans-109.6145.8-166.8-95.552.9000112.2
641Q35Very low31.3Very low170 Ų170163.7 Ų163.779%0.79479%0.79SS**  71.3118.560-58.7-89.622.800115
642D26.9Very low31.6Very low154 Ų154164.4 Ų164.482%0.82479%0.79SS**  -168.3173.6102.6-156.20.2000111.8
643R37.8Very low31.5Very low223 Ų223161.1 Ų161.184%0.84278%0.782SS**  trans-113.5142.9176.4-65.8170.9166.2178-4.3111.6
644S27.6Very low31.6Very low122 Ų122163.2 Ų163.285%0.85378%0.782SS**  trans-177.7174.2141.9400000113.2
645F31.4Very low31.5Very low204 Ų204163.4 Ų163.490%0.89578%0.783SS**  trans-108.5174.1-173-81.7-100.2000113.1
646R30.4Very low32.2Very low219 Ų219166.7 Ų166.783%0.82679%0.794SS**  trans96.1152.5142.8-93.6-178.1-171.2-110.47120.8
647N28.8Very low32.2Very low140 Ų140160 Ų16075%0.74979%0.791SS**  trans87.8103.5153.9-60.4-19000120.8
648R33.9Very low32.7Very low239 Ų239159.9 Ų159.990%0.90280%0.797SS**  trans-83.9145161.3162.7-174.6-165.9-160.310.5110.2
649P41.4Very low32.6Very low108 Ų108159.9 Ų159.970%0.70180%0.8SS**  -152.5153.3119.637-18.5000118.7
650Q31.1Very low33.3Very low158 Ų158157.7 Ų157.774%0.73880%0.8SS**  trans47.6121.5141.4-77.1161.5-126.200123.1
651R34.2Very low33.5Very low223 Ų223156.1 Ų156.184%0.84281%0.805SS**  73.1133.487.2-75.6-172.7176.1-177.4-1.2116
652V33.1Very low33.1Very low124 Ų124151.3 Ų151.375%0.75280%0.802SS**  179155.3103.4-84.50000114.8
653N29.9Very low33.2Very low135 Ų135155.2 Ų155.272%0.72281%0.805SS**  trans53125.3151-59.4-18.2000121.7
654R31.3Very low32.8Very low224 Ų224150.4 Ų150.485%0.84580%0.8SS**  80.699.262.8-76.5-175171.7-159.6-1114.4
655S30.6Very low32.9Very low115 Ų115150.1 Ų150.180%0.80480%0.798SS**  85161.185.9-59.40000114.5
656P44.7Very low33.6Very low129 Ų129146.7 Ų146.784%0.83880%0.796SS**  cis-142.7164.22.841.8-22.4000120.3
657G27.9Very low33.6Very low76 Ų76139.6 Ų139.678%0.78479%0.792SS**  trans79.3169.7145.400000121.3
658P41.3Very low33.6Very low135 Ų135141 Ų14188%0.87780%0.799SS**  cis-126.4-155.3-10.641.7-24000115.6
659Q31.1Very low33.5Very low174 Ų174134.4 Ų134.481%0.81380%0.796SS**  trans-105.9-176.1-165-79.7-77.8-4400113.3
660P44Very low33.3Very low110 Ų110136 Ų13671%0.71480%0.803SS**  cis-147.1175.616.945-25000120.9
661A30.1Very low33.6Very low96 Ų96134.2 Ų134.279%0.79380%0.803SS**  trans62150.615200000121.5
662G28.4Very low33.7Very low70 Ų70129.1 Ų129.172%0.72280%0.802SS**  cis126.7106.4-22.100000117.7
663R29Very low34Very low235 Ų235132 Ų13289%0.88781%0.81SS**  trans-175.3124.2153-107.5159.1-174.5-88.51.2116.5
664T29.6Very low34.7Very low123 Ų123132 Ų13276%0.75581%0.808SS**  trans27.7128.2138.257.50000123.9
665S28.6Very low35.2Very low115 Ų115125.3 Ų125.380%0.80480%0.796SS**  trans-72.5-171153.1-32.90000112.3
666P47.1Very low36.2Very low132 Ų132126.8 Ų126.886%0.85780%0.803SS**  cis-132.8-174.6-5.342.4-25000115.1
667G28.5Very low36.2Very low71 Ų71125.8 Ų125.873%0.73280%0.799SS**  trans171.5111.4165.200000118.2
668N29.1Very low37.6Very low169 Ų169127.6 Ų127.690%0.90479%0.786SS**  trans19.2132.7156.8-62.7-1.7000123
669A31.9Very low39.2Very low100 Ų100126.4 Ų126.483%0.82678%0.776SS**  trans-146.7123.4145.600000110.9
670V36.9Very low41.3Very low142 Ų142120.3 Ų120.386%0.86175%0.751SS**  trans-135.794.6173.5178.20000109.2
671T38.5Very low43Very low121 Ų121118.3 Ų118.374%0.74274%0.738SS**  trans-163.193.8164460000109.7
672S35.7Very low44.8Very low116 Ų116118.3 Ų118.381%0.81173%0.732SS**  trans-162.469.6167.2-159.90000112.2
673M40.2Very low47.2Very low185 Ų185119.6 Ų119.691%0.91173%0.725SS**  trans-135.960.3170.5-72.2-63.2-7200109.3
674L44.8Very low49.7Very low133 Ų133111 Ų11170%0.69670%0.696SS**  trans-129.3126170.2-72.2175.4000108.5
675S41.7Very low52.1Low84 Ų84112 Ų11259%0.58769%0.686SS**  trans-66.3150.6-176.2-58.50000112S677 F678S675-S677 PolarHBondContact O-N 2.73Å; S675-F678 PolarHBondContact O-N 3.38Å; S675-F678 VanDerWaalsContact O-N 3.16Å
676P50.5Low54.4Low146 Ų146114 Ų11495%0.94868%0.68SS**THydrogen-bonded Turntrans-60.7-7.3-172.5-26.335.8000117.1
677S44.5Very low55.8Low108 Ų108113.2 Ų113.276%0.75567%0.667SS**THydrogen-bonded Turntrans-91.4-17179.948.90000114.6S675 T679S675-S677 PolarHBondContact O-N 2.73Å; S677-T679 PolarHBondContact O-N 3.39Å
678F57.2Low57.9Low114 Ų114116.5 Ų116.550%0.566%0.658SS.*  trans-92.497.6-175.8-168.7-100000112S675 P680S675-F678 PolarHBondContact O-N 3.38Å; S675-F678 VanDerWaalsContact O-N 3.16Å; F678-P680 WeakPolarHBondContact O-CD 3.36Å
679T75.3Confident59.7Low111 Ų111110.8 Ų110.868%0.68163%0.634SS**PPolyproline II helixtrans-74.3117.1167.860.40000109.6S677S677-T679 PolarHBondContact O-N 3.39Å
680P75.6Confident61Low45 Ų45110.5 Ų110.529%0.29262%0.622SS.*PPolyproline II helixtrans-61.2141.8-177.521.9-32000111.7F678 I684 R685F678-P680 WeakPolarHBondContact O-CD 3.36Å; P680-I684 HydrophobicContact CB-CB 4.03Å; P680-I684 HydrophobicContact CB-CG2 3.68Å; P680-R685 HydrophobicContact CG-CG 4.09Å; P680-R685 VanDerWaalsContact O-CZ 3.24Å; P680-R685 PolarHBondContact O-NE 3.48Å; P680-R685 PolarHBondContact O-NH2 3.07Å
681T79.1Confident62.2Low69 Ų69111.3 Ų111.342%0.42361%0.614SS.*PPolyproline II helixtrans-59.9163-179.565.90000111.9V683 I684 R685T681-V683 PolarHBondContact O-N 3.48Å; T681-I684 HydrophobicContact CG2-CD1 4.5Å; T681-I684 PolarHBondContact O-N 3.27Å; T681-I684 VanDerWaalsContact O-N 3.15Å; T681-I684 WeakPolarHBondContact OG1-CG1 3.09Å; T681-I684 PolarHBondContact OG1-N 3.16Å; T681-R685 PolarHBondContact O-N 3.4Å
682S68Low63Low96 Ų96113 Ų11367%0.67161%0.614SS**Hα-helixtrans-54.8-38.9177.549.80000112.5K686S682-K686 WeakPolarHBondContact O-CB 3.27Å; S682-K686 PolarHBondContact O-N 3.38Å
683V79Confident63.7Low96 Ų96116 Ų11658%0.58261%0.612SS**Hα-helixtrans-63.2-50.4175.3-177.40000111.2T681 R685 K686 M687T681-V683 PolarHBondContact O-N 3.48Å; V683-R685 VanDerWaalsContact C-N 3.35Å; V683-R685 PolarHBondContact O-N 3.15Å; V683-K686 WeakPolarHBondContact O-CB 3.34Å; V683-K686 PolarHBondContact O-N 3.25Å; V683-K686 VanDerWaalsContact O-N 3.1Å; V683-M687 WeakPolarHBondContact O-CG 3.35Å; V683-M687 PolarHBondContact O-N 3.13Å
684I80.8Confident64Low54 Ų54112 Ų11228%0.27760%0.602SS.*Hα-helixtrans-61.5-44.3179.6-64.7169.2000110.4P680 T681 K686 M687 Y688P680-I684 HydrophobicContact CB-CB 4.03Å; P680-I684 HydrophobicContact CB-CG2 3.68Å; T681-I684 HydrophobicContact CG2-CD1 4.5Å; T681-I684 PolarHBondContact O-N 3.27Å; T681-I684 VanDerWaalsContact O-N 3.15Å; T681-I684 WeakPolarHBondContact OG1-CG1 3.09Å; T681-I684 PolarHBondContact OG1-N 3.16Å; I684-K686 VanDerWaalsContact C-N 3.33Å; I684-K686 PolarHBondContact O-N 3.43Å; I684-M687 PolarHBondContact O-N 3.26Å; I684-Y688 HydrophobicContact CG2-CD2 3.88Å; I684-Y688 HydrophobicContact CG2-CE2 3.67Å; I684-Y688 VanDerWaalsContact O-CD2 3.25Å; I684-Y688 WeakPolarHBondContact O-CD2 3.25Å; I684-Y688 PolarHBondContact O-N 3.4Å
685R81.4Confident63.9Low144 Ų144114.5 Ų114.554%0.54361%0.607SS.*Hα-helixtrans-58.9-41.5173.3-93.3179-86.4178.7-8.3112.5P680 T681 V683 Y688 A689P680-R685 HydrophobicContact CG-CG 4.09Å; P680-R685 VanDerWaalsContact O-CZ 3.24Å; P680-R685 PolarHBondContact O-NE 3.48Å; P680-R685 PolarHBondContact O-NH2 3.07Å; T681-R685 PolarHBondContact O-N 3.4Å; V683-R685 VanDerWaalsContact C-N 3.35Å; V683-R685 PolarHBondContact O-N 3.15Å; R685-Y688 PolarHBondContact O-N 3.14Å; R685-A689 WeakPolarHBondContact O-CB 3.33Å; R685-A689 PolarHBondContact O-N 2.96Å
686K77.1Confident64.1Low157 Ų157117.9 Ų117.968%0.68362%0.619SS**Hα-helixtrans-64.1-40.1177.6-167.5174.8-179.5-178.80112.1S682 V683 I684 Y688 A689 T690S682-K686 WeakPolarHBondContact O-CB 3.27Å; S682-K686 PolarHBondContact O-N 3.38Å; V683-K686 WeakPolarHBondContact O-CB 3.34Å; V683-K686 PolarHBondContact O-N 3.25Å; V683-K686 VanDerWaalsContact O-N 3.1Å; I684-K686 VanDerWaalsContact C-N 3.33Å; I684-K686 PolarHBondContact O-N 3.43Å; K686-Y688 PolarHBondContact O-N 3.43Å; K686-A689 PolarHBondContact O-N 3.5Å; K686-T690 PolarHBondContact O-N 3.38Å; K686-T690 VanDerWaalsContact O-N 3.14Å; K686-T690 PolarHBondContact O-OG1 3.28Å
687M76.8Confident63.3Low117 Ų117119.5 Ų119.558%0.57661%0.614SS**Hα-helixtrans-65.1-35.2176.6-65.2-161.4-53.900113.7V683 I684 T690V683-M687 WeakPolarHBondContact O-CG 3.35Å; V683-M687 PolarHBondContact O-N 3.13Å; I684-M687 PolarHBondContact O-N 3.26Å; M687-T690 PolarHBondContact O-OG1 2.98Å; M687-T690 VanDerWaalsContact O-OG1 3.13Å
688Y71.6Confident62.6Low139 Ų139124 Ų12455%0.54562%0.623SS.*Hα-helixtrans-77.3-38.8175.2-73.5-66.4000112I684 R685 K686 T690 K691 E692I684-Y688 HydrophobicContact CG2-CD2 3.88Å; I684-Y688 HydrophobicContact CG2-CE2 3.67Å; I684-Y688 VanDerWaalsContact O-CD2 3.25Å; I684-Y688 WeakPolarHBondContact O-CD2 3.25Å; I684-Y688 PolarHBondContact O-N 3.4Å; R685-Y688 PolarHBondContact O-N 3.14Å; K686-Y688 PolarHBondContact O-N 3.43Å; Y688-T690 PolarHBondContact O-N 3.2Å; Y688-K691 PolarHBondContact O-N 3.42Å; Y688-K691 VanDerWaalsContact O-N 3.07Å; Y688-E692 PolarHBondContact O-N 2.93Å; Y688-E692 VanDerWaalsContact O-N 3.15Å
689A67.1Low61.1Low49 Ų49124.4 Ų124.441%0.40564%0.64SS.*Hα-helixtrans-63.7-34.5178.900000113.6R685 K686 K691 K693R685-A689 WeakPolarHBondContact O-CB 3.33Å; R685-A689 PolarHBondContact O-N 2.96Å; K686-A689 PolarHBondContact O-N 3.5Å; A689-K691 VanDerWaalsContact C-N 3.28Å; A689-K691 PolarHBondContact O-N 3.1Å; A689-K693 PolarHBondContact O-N 3.43Å
690T58.1Low58.8Low94 Ų94124.9 Ų124.958%0.57765%0.648SS**Hα-helixtrans-70.3-24.2173.9510000113.1K686 M687 Y688K686-T690 PolarHBondContact O-N 3.38Å; K686-T690 VanDerWaalsContact O-N 3.14Å; K686-T690 PolarHBondContact O-OG1 3.28Å; M687-T690 PolarHBondContact O-OG1 2.98Å; M687-T690 VanDerWaalsContact O-OG1 3.13Å; Y688-T690 PolarHBondContact O-N 3.2Å
691K62.3Low56.6Low159 Ų159132.2 Ų132.269%0.69167%0.67SS**Hα-helixtrans-84.8-23.4178.2-168.7173.3-179.5178.10113.4Y688 A689 S694Y688-K691 PolarHBondContact O-N 3.42Å; Y688-K691 VanDerWaalsContact O-N 3.07Å; A689-K691 VanDerWaalsContact C-N 3.28Å; A689-K691 PolarHBondContact O-N 3.1Å; K691-S694 PolarHBondContact O-OG 2.78Å
692E57.2Low54.9Low156 Ų156133.7 Ų133.773%0.72968%0.68SS**Hα-helixtrans-77.7-41.9175-170.8168.4-144.900111.6Y688 S694 K695Y688-E692 PolarHBondContact O-N 2.93Å; Y688-E692 VanDerWaalsContact O-N 3.15Å; E692-S694 PolarHBondContact O-N 2.91Å; E692-S694 VanDerWaalsContact O-N 3.16Å; E692-K695 PolarHBondContact O-N 2.85Å
693K48.8Very low52.7Low181 Ų181135.8 Ų135.879%0.78768%0.68SS**THydrogen-bonded Turntrans-67.9-11.2-176.8-75.2-161.5169.6-157.20116.2A689 K695A689-K693 PolarHBondContact O-N 3.43Å; K693-K695 VanDerWaalsContact C-N 3.27Å; K693-K695 PolarHBondContact O-N 3.43Å
694S46.3Very low50.2Low100 Ų100136 Ų13670%0.69968%0.682SS**THydrogen-bonded Turntrans-833.9-179.959.30000114.6K691 E692K691-S694 PolarHBondContact O-OG 2.78Å; E692-S694 PolarHBondContact O-N 2.91Å; E692-S694 VanDerWaalsContact O-N 3.16Å
695K44.5Very low47.9Very low185 Ų185142 Ų14280%0.80471%0.705SS**SBendtrans-115.5-16.4-174.7-164.7170.6178.6-1760115.6E692 K693E692-K695 PolarHBondContact O-N 2.85Å; K693-K695 VanDerWaalsContact C-N 3.27Å; K693-K695 PolarHBondContact O-N 3.43Å
696D44.6Very low45.5Very low155 Ų155141.3 Ų141.383%0.82971%0.709SS**SBendtrans-12131.6-169.9-102.5-51.3000114.2
697E34.1Very low43.4Very low181 Ų181142.5 Ų142.585%0.84672%0.716SS**  trans-148.497.2169.1-141.8-179.2136.400113.4
698Q29Very low41.4Very low203 Ų203140.7 Ų140.795%0.94972%0.72SS**  trans-157.883.5163.2-129.9176.845.100111.9
699S27.2Very low39.5Very low121 Ų121139.7 Ų139.785%0.84673%0.729SS**  trans-150.735.3178.8-170.10000115.2
700S26.7Very low37.8Very low122 Ų122142.9 Ų142.985%0.85374%0.743SS**  trans-156.6140.1165.849.80000113.3
701R29.6Very low36.6Very low198 Ų198144.6 Ų144.675%0.74775%0.749SS**  trans-144.5171.5172.7-121.7-153.5134.9-177.4-8.5106.7E703R701-E703 PolarHBondContact NH2-O 3.15Å
702P42.3Very low35Very low100 Ų100141.9 Ų141.965%0.64975%0.75SS**  cis-98.6-164.37.722.9-1.1000111.9
703E22.3Very low33.8Very low140 Ų140142.7 Ų142.765%0.65475%0.754SS**  cis-134.5-121.222.5-101-54.1-4.600116.4R701R701-E703 PolarHBondContact NH2-O 3.15Å
704T26.7Very low33.1Very low102 Ų102140.8 Ų140.863%0.62675%0.752SS**  trans-171.6169.4-139.3-68.10000111.7
705K31.6Very low32.4Very low178 Ų178139.1 Ų139.177%0.77475%0.751SS**  trans83.3150.1-179.9-74.4-154.8169.6-130.70117.7
706E32.1Very low31.7Very low131 Ų131136 Ų13661%0.61275%0.752SS**  cis-173.4139.3-28.3-171.1155.7-12900111.1
707E32.5Very low31Very low181 Ų181133.9 Ų133.985%0.84675%0.749SS**  trans52.1-173.9161.3-73-175.6154.900120.8
708A34Very low30.6Very low80 Ų80130.7 Ų130.766%0.66175%0.747SS**  -167.9-177.3-67.800000109.2
709T32.3Very low31.4Very low117 Ų117126 Ų12672%0.71873%0.734SS**  cis-163.3166.21.6-17.40000111.1
710T32.2Very low31.5Very low116 Ų116126.9 Ų126.971%0.71273%0.73SS**  trans64.3166.6153.453.30000119.9
711N31.6Very low31.6Very low131 Ų131128.9 Ų128.970%0.70173%0.725SS**  cis-154.6144.5-14.9-112.2-21.7000108.1
712S29.5Very low31.3Very low102 Ų102126.1 Ų126.171%0.71373%0.725SS**  68.2128.876.9-52.20000116.6
713Q32.3Very low30.9Very low172 Ų172129.2 Ų129.280%0.80474%0.735SS**  169.2142.4115.5-168.9156.54.300115.9
714D32.9Very low31.1Very low142 Ų142125.5 Ų125.576%0.75973%0.734SS**  trans16.1161.9156.4-50.2-26.9000124.8
715G32.9Very low31.1Very low64 Ų64126.2 Ų126.266%0.6674%0.743SS**  cis147.4158.5-11.800000117.5
716S28.9Very low31.3Very low120 Ų120123.6 Ų123.684%0.83974%0.742SS**  trans76.6160.6163.6103.90000118.1
717S29.4Very low31.1Very low110 Ų110124.9 Ų124.977%0.76975%0.753SS**  cis-155.5169.66.5-870000114.7
718S27Very low31Very low114 Ų114118.9 Ų118.980%0.79774%0.74SS**  trans-66.5-171.5-179.6-29.30000117.1
719P45.9Very low30.8Very low104 Ų104122.7 Ų122.768%0.67575%0.749SS**  cis-157.6176.547.645.6-22.6000122.6
720N29.8Very low30.7Very low141 Ų141123.3 Ų123.375%0.75475%0.752SS**  trans73.1147.9155.8-57.8-23.8000120.6
721H27.6Very low30.7Very low164 Ų164122.5 Ų122.576%0.75975%0.752SS**  cis-150.1-148.5-3-133.1-42.9000110.9
722L24.5Very low30.7Very low140 Ų140125.1 Ų125.173%0.73376%0.76SS**  cis-148-92.48.3-165.564.3000117.1
723L33.3Very low30.6Very low164 Ų164125 Ų12586%0.85976%0.758SS**  trans-149.2164-164.5-86.3158000112.1
724G26Very low30.4Very low63 Ų63123.9 Ų123.965%0.64976%0.763SS**  cis155.1117.2-10.300000116.5
725S27Very low30.2Very low116 Ų116120.6 Ų120.681%0.81176%0.763SS**  trans-178.7135162.7-79.90000108.7
726V35.1Very low29.9Very low124 Ų124122.1 Ų122.175%0.75277%0.769SS**  cis78.6124.539.9101.80000113.1
727D28.8Very low30.1Very low157 Ų157126.1 Ų126.184%0.8477%0.772SS**  cis-164.7179.3-28.1-119.6-48.6000108.2
728G30.6Very low30Very low55 Ų55129.1 Ų129.157%0.56778%0.777SS**  cis161.8141-2.400000114
729N29.5Very low30Very low161 Ų161128.5 Ų128.586%0.86177%0.773SS**  trans63.9165169.2-91.9-46.6000117.9
730V29.6Very low29.5Very low129 Ų129128.4 Ų128.478%0.78277%0.772SS**  cis-135.8154.6131770000111.4
731S32.7Very low29.5Very low100 Ų100130.4 Ų130.470%0.69978%0.777SS**  trans-104.3150.8173.9-45.50000114.2
732Q30.8Very low29.5Very low186 Ų186128.2 Ų128.287%0.86978%0.775SS**  trans-175.6158.7138.4-109.6165.58900119.5
733S28.5Very low29.8Very low98 Ų98129.5 Ų129.569%0.68578%0.78SS**  trans56.9107.8150.665.90000123.9
734V28.4Very low29.7Very low149 Ų149131.3 Ų131.390%0.90378%0.784SS**  30.4129.7111.3-176.10000119.5
735G27.8Very low29.7Very low73 Ų73133.4 Ų133.475%0.75379%0.789SS**  trans147.597.9142.700000120.3
736A27.9Very low29.8Very low97 Ų97135.5 Ų135.580%0.80278%0.783SS**  trans5.7144.6152.200000124.6
737K31.5Very low29.6Very low203 Ų203134.5 Ų134.588%0.88377%0.773SS**  trans66.3104.2145.4-73.8-177.9175.7-177.50121.5
738I27.8Very low29.8Very low174 Ų174135.8 Ų135.889%0.89277%0.774SS**  trans-146.9159.4142.3-9.8177.1000106
739S26.5Very low29.7Very low100 Ų100140.5 Ų140.570%0.69978%0.782SS**  cis-156.5162.58-168.50000110.9
740P36.3Very low29.8Very low103 Ų103142.4 Ų142.467%0.66978%0.777SS**  trans-103.7164.2163.439-32.5000113.4
741Q29.8Very low29.9Very low182 Ų182144.4 Ų144.485%0.8578%0.782SS**  trans67.3152.4171.4-37.4-170-9.600115.3
742T27.8Very low29.9Very low118 Ų118150.4 Ų150.472%0.72479%0.79SS**  cis-143.7144.211.4-530000112.4
743M29.8Very low30.5Very low168 Ų168147.2 Ų147.283%0.82879%0.785SS**  trans7128.5162.9-54-60.2-167.500121.8
744Q30.8Very low30.3Very low202 Ų202145.9 Ų145.994%0.94479%0.786SS**  -159.9156.8102.3-102.1173.458.800111.5
745S26.3Very low30.2Very low107 Ų107143.8 Ų143.875%0.74878%0.778SS**  trans-83.4139.3-168.7-167.60000112.1
746K29.5Very low30.3Very low159 Ų159147 Ų14769%0.69178%0.784SS**  56.8132.365.1-105.3-169.6155.1-74.10112.8
747D30.9Very low30.2Very low103 Ų103145 Ų14555%0.55177%0.772SS**  cis-137.1151.79.6-93.5-62.1000110.3
748Q32.6Very low30.2Very low184 Ų184144.5 Ų144.586%0.8677%0.773SS**  59.5134.667.6-64-163.6-7.200116.8
749E28.2Very low30.2Very low155 Ų155143.5 Ų143.572%0.72476%0.764SS**  trans-109156.4-177.9-163.5-149.811600111.7
750R32.3Very low30.4Very low200 Ų200146.2 Ų146.276%0.75577%0.767SS**  trans83108.9151.2-166.7174.3-65-159.8-0.1118.7
751L31.1Very low30.4Very low171 Ų171147.7 Ų147.790%0.89578%0.775SS**  -161.2165.8111.7-98.2168.3000110.4
752R32.3Very low30.8Very low227 Ų227144.1 Ų144.186%0.85777%0.767SS**  trans-92.3179.8-176.7-70.9-143.1-64.6138.3-6.7111.7
753P43.8Very low30.9Very low119 Ų119147 Ų14777%0.77378%0.775SS**  cis-140.2179.65.843.6-26000117.4
754G24.5Very low31.2Very low69 Ų69143.4 Ų143.471%0.71177%0.771SS**  trans148120.3146.800000120
755S27.4Very low31.8Very low105 Ų105139.4 Ų139.473%0.73476%0.763SS**  trans40.6143.2143.4-161.90000124.4
756T29.3Very low32.6Very low141 Ų141140.1 Ų140.187%0.86577%0.765SS**  trans61.5148.2159.737.80000117.9
757G26.8Very low32.7Very low54 Ų54135.6 Ų135.656%0.55776%0.763SS**  cis160.5146.2-6.500000111
758H30.3Very low33.2Very low194 Ų194136.3 Ų136.390%0.89877%0.774SS**  trans66.9158.2-179.3-52.4-79.1000115.2
759H28.8Very low33.1Very low152 Ų152132.6 Ų132.670%0.70477%0.768SS**  cis-164-175.6-30.9-168.7-98.1000107.4
760M29.9Very low33.1Very low157 Ų157130.1 Ų130.177%0.77377%0.768SS**  trans80.7106.4168.9-47.8-60.2177.100118.3
761T37.1Very low32.9Very low135 Ų135126.4 Ų126.483%0.82877%0.773SS**  trans-80.5163.6138.143.70000109.7
762P37.2Very low33.1Very low107 Ų107127.6 Ų127.670%0.69577%0.771SS**  -149.1158.7116.837.5-22000116.9
763M29.9Very low33.6Very low179 Ų179122.7 Ų122.788%0.88277%0.769SS**  trans64.6112.8147.1-70.815962.700121.6
764A36Very low33.3Very low91 Ų91121.7 Ų121.775%0.75276%0.764SS**  trans-77165140.300000110
765P43.8Very low34Very low118 Ų118123.8 Ų123.877%0.76677%0.766SS**  -154.2-157.286.844.6-25.7000112.4
766P42.3Very low34.2Very low122 Ų122126.5 Ų126.579%0.79277%0.77SS**  cis-122.7-178.8-3030.5-10.8000113.5
767G32.5Very low34.3Very low64 Ų64129.9 Ų129.966%0.6677%0.769SS**  trans-83.3-168.3157.500000112.5
768P41.8Very low34.9Very low119 Ų119132.6 Ų132.677%0.77378%0.776SS**  cis-150.1176.742.840.8-19.8000118.4
769S28.9Very low35.1Very low105 Ų105129.6 Ų129.673%0.73477%0.771SS**  trans50.7149.2143.661.20000123.1
770S29.1Very low35.4Very low104 Ų104127.5 Ų127.573%0.72777%0.771SS**  cis177.5144.6-20.253.50000110.1
771S29.2Very low35.7Very low122 Ų122128.3 Ų128.385%0.85378%0.778SS**  trans-172.1154.7145.1-87.40000113.3
772F33.6Very low35.5Very low195 Ų195129.4 Ų129.486%0.85578%0.778SS**  trans-104177.5-177.6-81.3-79.1000110.5
773P43.1Very low35.2Very low125 Ų125129.2 Ų129.281%0.81278%0.779SS**  cis-136.4177.416.243.1-25.6000117.6
774S37.8Very low35.3Very low97 Ų97130 Ų13068%0.67878%0.78SS**  trans-123.5155.7167.555.70000111.1
775P39.3Very low35.5Very low114 Ų114131.3 Ų131.374%0.7478%0.779SS**  trans-118.2146156.135.7-26.3000112.1
776I32.5Very low35.1Very low161 Ų161131.2 Ų131.283%0.82678%0.778SS**  trans-98.4140.2177.9-63.6166.1000109
777Y30.9Very low34.7Very low213 Ų213133.9 Ų133.984%0.83578%0.782SS**  trans-108.9135.8170.8-89.2-85.1000111.8
778P38Very low35.2Very low111 Ų111137.4 Ų137.472%0.72179%0.79SS**PPolyproline II helixtrans-88.6158.4-179.235.3-35.6000113.5
779V34.6Very low35Very low130 Ų130142.5 Ų142.579%0.78879%0.794SS**PPolyproline II helixtrans-80.7129.2176.8176.10000111.5
780P35.5Very low35.3Very low108 Ų108142.2 Ų142.270%0.70179%0.79SS**PPolyproline II helixtrans-85.4121.1165.5-422.9000111
781L36.9Very low35.8Very low174 Ų174142.3 Ų142.391%0.91179%0.788SS**PPolyproline II helixtrans-78.8127.2162.3-72.1168.8000108.9
782L32.4Very low36.5Very low159 Ų159142.3 Ų142.383%0.83279%0.785SS**  trans-110.7143.2178.5-102.9154.5000111.5
783S31.3Very low37.7Very low103 Ų103142 Ų14272%0.7279%0.786SS**  trans-76.5144.7-167.745.90000113.7V785S783-V785 PolarHBondContact O-N 3.27Å
784H32.2Very low38.5Very low195 Ų195139.8 Ų139.890%0.90377%0.767SS**  trans-63.4114.9174.6-59.9-75.6000111.6
785V39.7Very low40.1Very low119 Ų119140.7 Ų140.772%0.72176%0.761SS**  trans-87.3127.2161.1178.60000108.1S783 M787S783-V785 PolarHBondContact O-N 3.27Å; V785-M787 PolarHBondContact O-N 3.48Å
786P34.5Very low41.7Very low116 Ų116139.3 Ų139.375%0.75375%0.751SS**  trans-73.395174.929.8-33.2000109.8V788P786-V788 PolarHBondContact O-N 3.29Å; P786-V788 VanDerWaalsContact O-N 3.1Å
787M33.9Very low43.6Very low177 Ų177136.2 Ų136.287%0.87274%0.737SS**  trans-60.6114.2167.1-75.8-174.170.300109.2V785 R789V785-M787 PolarHBondContact O-N 3.48Å; M787-R789 PolarHBondContact O-N 2.8Å; M787-R789 VanDerWaalsContact O-N 3.09Å
788V43.4Very low45.9Very low138 Ų138128.5 Ų128.584%0.83671%0.712SS**  trans-60.7115.2172.1177.10000108P786P786-V788 PolarHBondContact O-N 3.29Å; P786-V788 VanDerWaalsContact O-N 3.1Å
789R37.7Very low47.9Very low226 Ų226125.4 Ų125.485%0.85369%0.691SS**PPolyproline II helixtrans-59.4126.8177.5-167.1-176.2-164.51261.7108.7M787M787-R789 PolarHBondContact O-N 2.8Å; M787-R789 VanDerWaalsContact O-N 3.09Å
790P36Very low50Low99 Ų99125.9 Ų125.964%0.64368%0.684SS**PPolyproline II helixtrans-60143.6172.326-33.5000109.3
791P39.1Very low51.9Low106 Ų106128.2 Ų128.269%0.68868%0.679SS**PPolyproline II helixtrans-59.8147.8177.626.2-34.4000110.1Q793P791-Q793 PolarHBondContact O-N 3.02Å
792P43.5Very low53.8Low123 Ų123120.9 Ų120.980%0.79964%0.64SS**  trans-61.7110.2-177.925.7-33.9000109.9L794P792-L794 PolarHBondContact O-N 2.99Å
793Q58.6Low56.2Low187 Ų187118.3 Ų118.387%0.87463%0.627SS**PPolyproline II helixtrans-65.8124.2177.1-67.6-168.90.300109.2P791 H795P791-Q793 PolarHBondContact O-N 3.02Å; Q793-H795 PolarHBondContact O-N 2.97Å
794L61.7Low58.3Low79 Ų79117.7 Ų117.741%0.41463%0.628SS.*PPolyproline II helixtrans-65.5127.4175.7-66.1176.2000109.1P792 V798 V799 M802 L812P792-L794 PolarHBondContact O-N 2.99Å; L794-V798 HydrophobicContact CB-CB 4.4Å; L794-V798 HydrophobicContact CB-CG1 4.38Å; L794-V798 HydrophobicContact CD1-CG1 4.39Å; L794-V798 HydrophobicContact CD2-CG1 4.47Å; L794-V799 HydrophobicContact CB-CG2 3.87Å; L794-M802 HydrophobicContact CD1-SD 3.87Å; L794-L812 HydrophobicContact CD1-CD1 3.62Å
795H70.7Confident60.3Low117 Ų117115.3 Ų115.354%0.54262%0.617SS.*PPolyproline II helixtrans-48.9139.5177.5-176.4-82.3000110.8Q793 N797 V798 V799Q793-H795 PolarHBondContact O-N 2.97Å; H795-N797 VanDerWaalsContact C-N 3.27Å; H795-N797 PolarHBondContact ND1-N 3.43Å; H795-N797 PolarHBondContact O-N 2.99Å; H795-N797 VanDerWaalsContact O-N 3.07Å; H795-V798 HydrophobicContact CB-CG2 4.34Å; H795-V798 WeakPolarHBondContact O-CA 3.17Å; H795-V798 WeakPolarHBondContact O-CB 3.48Å; H795-V798 PolarHBondContact O-N 2.79Å; H795-V799 PolarHBondContact O-N 2.92Å
796P71.8Confident61.7Low84 Ų84112.7 Ų112.755%0.54561%0.614SS.*Hα-helixtrans-52.1-40.3-171.915-30.3000113.7V798 V799 Q800P796-V798 PolarHBondContact O-N 2.87Å; P796-V798 VanDerWaalsContact O-N 3.16Å; P796-V799 PolarHBondContact O-N 2.96Å; P796-V799 VanDerWaalsContact O-N 3.09Å; P796-Q800 WeakPolarHBondContact O-CB 3.37Å; P796-Q800 PolarHBondContact O-N 3.1Å
797N72.1Confident63.5Low97 Ų97111 Ų11152%0.51960%0.598SS.*Hα-helixtrans-63.4-18.3175.7-60.7-9.3000114.9H795 R801H795-N797 VanDerWaalsContact C-N 3.27Å; H795-N797 PolarHBondContact ND1-N 3.43Å; H795-N797 PolarHBondContact O-N 2.99Å; H795-N797 VanDerWaalsContact O-N 3.07Å; N797-R801 WeakPolarHBondContact O-CG 3.48Å; N797-R801 PolarHBondContact O-NE 3.01Å
798V79.3Confident64.9Low51 Ų51105.9 Ų105.931%0.30958%0.578SS.*Hα-helixtrans-81.3-46.5170.6-179.50000109.6L794 H795 P796 Q800 R801 M802L794-V798 HydrophobicContact CB-CB 4.4Å; L794-V798 HydrophobicContact CB-CG1 4.38Å; L794-V798 HydrophobicContact CD1-CG1 4.39Å; L794-V798 HydrophobicContact CD2-CG1 4.47Å; H795-V798 HydrophobicContact CB-CG2 4.34Å; H795-V798 WeakPolarHBondContact O-CA 3.17Å; H795-V798 WeakPolarHBondContact O-CB 3.48Å; H795-V798 PolarHBondContact O-N 2.79Å; P796-V798 PolarHBondContact O-N 2.87Å; P796-V798 VanDerWaalsContact O-N 3.16Å; V798-Q800 PolarHBondContact O-N 2.91Å; V798-R801 PolarHBondContact O-N 2.97Å; V798-R801 VanDerWaalsContact O-N 3.12Å; V798-M802 PolarHBondContact O-N 3.18Å
799V81.3Confident65.6Low46 Ų46102.4 Ų102.428%0.27956%0.558SS.*Hα-helixtrans-59.5-45.6175.7-1790000111L794 H795 P796 R801 M802 L803L794-V799 HydrophobicContact CB-CG2 3.87Å; H795-V799 PolarHBondContact O-N 2.92Å; P796-V799 PolarHBondContact O-N 2.96Å; P796-V799 VanDerWaalsContact O-N 3.09Å; V799-R801 VanDerWaalsContact C-N 3.28Å; V799-R801 PolarHBondContact O-N 3.2Å; V799-M802 PolarHBondContact O-N 2.95Å; V799-L803 HydrophobicContact CG1-CD1 3.92Å; V799-L803 WeakPolarHBondContact O-CD1 3.48Å; V799-L803 PolarHBondContact O-N 3.13Å
800Q77.4Confident66.4Low139 Ų139100.4 Ų100.465%0.6556%0.558SS**Hα-helixtrans-55.5-41.2174.5-163.384.54700111.9P796 V798 A804P796-Q800 WeakPolarHBondContact O-CB 3.37Å; P796-Q800 PolarHBondContact O-N 3.1Å; V798-Q800 PolarHBondContact O-N 2.91Å; Q800-A804 VanDerWaalsContact O-CB 3.26Å; Q800-A804 WeakPolarHBondContact O-CB 3.34Å; Q800-A804 PolarHBondContact O-N 3.39Å
801R76.3Confident67.1Low158 Ų158102.7 Ų102.760%0.59656%0.56SS**Hα-helixtrans-73.9-36178.1-77-178.4-66.5-169.66.6112.7N797 V798 V799 A804 Q805N797-R801 WeakPolarHBondContact O-CG 3.48Å; N797-R801 PolarHBondContact O-NE 3.01Å; V798-R801 PolarHBondContact O-N 2.97Å; V798-R801 VanDerWaalsContact O-N 3.12Å; V799-R801 VanDerWaalsContact C-N 3.28Å; V799-R801 PolarHBondContact O-N 3.2Å; R801-A804 PolarHBondContact O-N 3.3Å; R801-Q805 WeakPolarHBondContact O-CB 3.37Å; R801-Q805 VanDerWaalsContact O-CG 3.3Å; R801-Q805 WeakPolarHBondContact O-CG 3.45Å; R801-Q805 PolarHBondContact O-N 3.27Å; R801-Q805 VanDerWaalsContact O-N 3.08Å
802M76.8Confident67.8Low19 Ų19100.1 Ų100.19%0.09454%0.541CS..Hα-helixtrans-63-47.1172.1-72.9-179.76400111.5L794 V798 V799 A804 Q805 G806 I807 P809 L812L794-M802 HydrophobicContact CD1-SD 3.87Å; V798-M802 PolarHBondContact O-N 3.18Å; V799-M802 PolarHBondContact O-N 2.95Å; M802-A804 PolarHBondContact O-N 3.27Å; M802-Q805 CarbonylContact O-C 3.6Å; M802-Q805 WeakPolarHBondContact O-CA 3.47Å; M802-Q805 PolarHBondContact O-N 3.06Å; M802-G806 PolarHBondContact O-N 2.89Å; M802-G806 VanDerWaalsContact O-N 3.08Å; M802-I807 HydrophobicContact CB-CB 4.34Å; M802-I807 HydrophobicContact CE-CB 4.29Å; M802-I807 HydrophobicContact CE-CG2 3.74Å; M802-I807 PolarHBondContact O-N 3.28Å; M802-P809 HydrophobicContact CE-CB 4.47Å; M802-L812 HydrophobicContact CE-CD1 3.74Å; M802-L812 HydrophobicContact CE-CD2 4.36Å; M802-L812 HydrophobicContact CE-CG 4.04Å; M802-L812 HydrophobicContact SD-CD1 4.03Å
803L82.6Confident68.4Low106 Ų10697.6 Ų97.656%0.55554%0.537SS*.Hα-helixtrans-63.5-41.1176.4-91.566.8000111.8V799 Q805 G806V799-L803 HydrophobicContact CG1-CD1 3.92Å; V799-L803 WeakPolarHBondContact O-CD1 3.48Å; V799-L803 PolarHBondContact O-N 3.13Å; L803-Q805 PolarHBondContact O-N 3.35Å; L803-G806 PolarHBondContact O-N 3.36Å
804A75.4Confident67.9Low89 Ų8993.5 Ų93.574%0.73653%0.527SS*.Hα-helixtrans-65.4-15.2173.400000114Q800 R801 M802Q800-A804 VanDerWaalsContact O-CB 3.26Å; Q800-A804 WeakPolarHBondContact O-CB 3.34Å; Q800-A804 PolarHBondContact O-N 3.39Å; R801-A804 PolarHBondContact O-N 3.3Å; M802-A804 PolarHBondContact O-N 3.27Å
805Q74.7Confident67.1Low145 Ų14592.4 Ų92.468%0.67853%0.529SS*.THydrogen-bonded Turntrans-1035.8172.4-69.6175.2-9.200112.7R801 M802 L803 I807R801-Q805 WeakPolarHBondContact O-CB 3.37Å; R801-Q805 VanDerWaalsContact O-CG 3.3Å; R801-Q805 WeakPolarHBondContact O-CG 3.45Å; R801-Q805 PolarHBondContact O-N 3.27Å; R801-Q805 VanDerWaalsContact O-N 3.08Å; M802-Q805 CarbonylContact O-C 3.6Å; M802-Q805 WeakPolarHBondContact O-CA 3.47Å; M802-Q805 PolarHBondContact O-N 3.06Å; L803-Q805 PolarHBondContact O-N 3.35Å; Q805-I807 VanDerWaalsContact C-N 3.32Å; Q805-I807 HydrophobicContact CB-CD1 4.26Å; Q805-I807 HydrophobicContact CB-CG1 4.23Å; Q805-I807 PolarHBondContact O-N 3.09Å
806G70Confident66.1Low64 Ų6492.7 Ų92.766%0.6653%0.533SS*.THydrogen-bonded Turntrans74.612.4179.400000115.4M802 L803 P808M802-G806 PolarHBondContact O-N 2.89Å; M802-G806 VanDerWaalsContact O-N 3.08Å; L803-G806 PolarHBondContact O-N 3.36Å; G806-P808 WeakPolarHBondContact O-CD 3.4Å
807I71.9Confident65Low80 Ų8097.2 Ų97.241%0.4155%0.549SS..  trans-94.8114.8-174-52.1177.8000110.2M802 Q805M802-I807 HydrophobicContact CB-CB 4.34Å; M802-I807 HydrophobicContact CE-CB 4.29Å; M802-I807 HydrophobicContact CE-CG2 3.74Å; M802-I807 PolarHBondContact O-N 3.28Å; Q805-I807 VanDerWaalsContact C-N 3.32Å; Q805-I807 HydrophobicContact CB-CD1 4.26Å; Q805-I807 HydrophobicContact CB-CG1 4.23Å; Q805-I807 PolarHBondContact O-N 3.09Å
808P62.6Low63.9Low70 Ų70101.3 Ų101.346%0.45557%0.566SS.*  trans-73.7136.5178.229.5-33.9000111.3G806 Q810G806-P808 WeakPolarHBondContact O-CD 3.4Å; P808-Q810 PolarHBondContact O-N 3.09Å
809P57.4Low62.3Low65 Ų65102.1 Ų102.142%0.42258%0.578SS.*G310 helixtrans-67.9-11.6-173.126.3-34.9000114.9M802M802-P809 HydrophobicContact CE-CB 4.47Å
810Q56.1Low60.6Low184 Ų184103.6 Ų103.686%0.8660%0.602SS**G310 helixtrans-84.5-3.9-173.3-67.6172.1-700114.6P808P808-Q810 PolarHBondContact O-N 3.09Å
811Q50.1Low59.1Low147 Ų147104.2 Ų104.269%0.68761%0.608SS**G310 helixtrans-107.710.9-177.7-64.3-164.12.900115.2G813 P814Q811-G813 VanDerWaalsContact C-N 3.27Å; Q811-G813 PolarHBondContact O-N 3.3Å; Q811-P814 WeakPolarHBondContact O-CD 2.68Å
812L53Low57.3Low53 Ų53106.4 Ų106.428%0.27762%0.622SS.*Hα-helixtrans-72.6-8.7-174.5-81.4173.5000116.1L794 M802 L816L794-L812 HydrophobicContact CD1-CD1 3.62Å; M802-L812 HydrophobicContact CE-CD1 3.74Å; M802-L812 HydrophobicContact CE-CD2 4.36Å; M802-L812 HydrophobicContact CE-CG 4.04Å; M802-L812 HydrophobicContact SD-CD1 4.03Å; L812-L816 HydrophobicContact CD2-CG 4.42Å
813G56.3Low55.5Low69 Ų69110.7 Ų110.771%0.71165%0.652SS**Hα-helixtrans-56.5-54.6-178.500000114.3Q811Q811-G813 VanDerWaalsContact C-N 3.27Å; Q811-G813 PolarHBondContact O-N 3.3Å
814P49.3Very low53.6Low102 Ų102111.9 Ų111.966%0.66267%0.666SS**Hα-helixtrans-81.4-32.1-179.6-1531.4000113.9Q811 L816 M817Q811-P814 WeakPolarHBondContact O-CD 2.68Å; P814-L816 PolarHBondContact O-N 2.79Å; P814-M817 PolarHBondContact O-N 2.94Å
815A45.1Very low51.9Low55 Ų55116.3 Ų116.346%0.45567%0.671SS.*Hα-helixtrans-67.3-32.9-164.900000114M817 Q818A815-M817 PolarHBondContact O-N 3.16Å; A815-Q818 PolarHBondContact O-N 3.5Å
816L49.6Very low50.3Low123 Ų123115.5 Ų115.564%0.64468%0.676SS**THydrogen-bonded Turntrans-71.3-15-176.6-73.2170000114L812 P814 Q818L812-L816 HydrophobicContact CD2-CG 4.42Å; P814-L816 PolarHBondContact O-N 2.79Å; L816-Q818 VanDerWaalsContact C-N 3.34Å
817M48.6Very low48.7Very low179 Ų179119 Ų11988%0.88268%0.679SS**THydrogen-bonded Turntrans-78.4-13.4174.7-68.2-163.174.400114.1P814 A815P814-M817 PolarHBondContact O-N 2.94Å; A815-M817 PolarHBondContact O-N 3.16Å
818Q48.5Very low47.4Very low184 Ų184121.9 Ų121.986%0.8669%0.694SS**THydrogen-bonded Turntrans-96.1-14.9176.7-77.8-174-2500114A815 L816 G820A815-Q818 PolarHBondContact O-N 3.5Å; L816-Q818 VanDerWaalsContact C-N 3.34Å; Q818-G820 VanDerWaalsContact C-N 3.28Å; Q818-G820 PolarHBondContact O-N 3.17Å
819A44.9Very low46.3Very low68 Ų68122.1 Ų122.156%0.56270%0.703SS**SBendtrans-85.663.8177.900000111.5I821A819-I821 PolarHBondContact O-N 3.41Å
820G47.1Very low45.3Very low76 Ų76128 Ų12878%0.78472%0.724SS**  trans-63.896.7-171.100000114.8Q818Q818-G820 VanDerWaalsContact C-N 3.28Å; Q818-G820 PolarHBondContact O-N 3.17Å
821I44.9Very low44.5Very low153 Ų153127.1 Ų127.179%0.78573%0.725SS**  trans-136.781.7170.5-49179.3000109.9A819A819-I821 PolarHBondContact O-N 3.41Å
822F39Very low43.7Very low203 Ų203129.4 Ų129.489%0.8974%0.736SS**  trans-135.2142.6163.4-83.3-75.4000109.9
823P39.3Very low42.6Very low110 Ų110130.3 Ų130.371%0.71476%0.757SS**  trans-67143.9178.9-20.733.6000112.8H825P823-H825 VanDerWaalsContact C-N 3.32Å; P823-H825 PolarHBondContact O-N 3.33Å
824P41.9Very low41.7Very low130 Ų130135.3 Ų135.384%0.84477%0.767SS**SBendtrans-84.362-170.435.5-38.2000113.5
825H40.2Very low41.1Very low182 Ų182135.8 Ų135.884%0.84377%0.77SS**  trans-161.876.9159.2-126.9-77.6000114P823P823-H825 VanDerWaalsContact C-N 3.32Å; P823-H825 PolarHBondContact O-N 3.33Å
826V39.6Very low41Very low129 Ų129139.6 Ų139.678%0.78279%0.79SS**  trans-134.6116.8158.2-177.50000107.7
827D36.7Very low40.1Very low136 Ų136138.1 Ų138.173%0.72780%0.795SS**  trans-79.2137.4174-172.5-3.8000109.6A829D827-A829 VanDerWaalsContact OD1-CB 3.31Å; D827-A829 WeakPolarHBondContact OD1-CB 3.41Å; D827-A829 PolarHBondContact OD1-N 3.42Å; D827-A829 VanDerWaalsContact OD1-N 3.07Å
828L46.3Very low39.3Very low141 Ų141137.4 Ų137.474%0.73879%0.794SS**  trans-11619.1-175.8-147.973.2000113Q830L828-Q830 PolarHBondContact O-N 3.29Å
829A38.1Very low38.5Very low76 Ų76136.6 Ų136.663%0.62880%0.795SS**THydrogen-bonded Turntrans-73.143.9-177.800000115.9D827D827-A829 VanDerWaalsContact OD1-CB 3.31Å; D827-A829 WeakPolarHBondContact OD1-CB 3.41Å; D827-A829 PolarHBondContact OD1-N 3.42Å; D827-A829 VanDerWaalsContact OD1-N 3.07Å
830Q36.6Very low37.6Very low188 Ų188136.7 Ų136.788%0.87980%0.803SS**THydrogen-bonded Turntrans-133.924.3171.5-72.9-156.90.800115.6L828L828-Q830 PolarHBondContact O-N 3.29Å
831L39Very low36.8Very low165 Ų165141.6 Ų141.686%0.86481%0.805SS**  trans-114.260.4166.8-75.1173.6000112.4
832Q34.5Very low37.1Very low196 Ų196139.1 Ų139.192%0.91680%0.799SS**  trans-88.4120161.3-71.5-175.5-20.600109.3
833G28.6Very low36.7Very low71 Ų71137.3 Ų137.373%0.73280%0.798SS**  trans166.752.1179.700000117.3
834L37.4Very low36.1Very low174 Ų174142.9 Ų142.991%0.91181%0.806SS**  trans-128.8136169.4-71.6179.1000111.8
835P37.2Very low36.9Very low113 Ų113141.5 Ų141.573%0.73480%0.797SS**  trans-123.1168.1150.741.6-30.4000110.4
836P43.2Very low36.4Very low135 Ų135140.3 Ų140.388%0.87780%0.796SS**  -123.1-179.4-91.9212.3000114
837A31Very low35.7Very low91 Ų91139.4 Ų139.475%0.75280%0.795SS**  trans-97.8164.9-17000000115.6
838L31.3Very low35.2Very low165 Ų165136.8 Ų136.886%0.86479%0.793SS**  trans-123.3105.2152.9-66.4173.5000106.5
839L31.6Very low34.5Very low166 Ų166136.9 Ų136.987%0.86980%0.799SS**  84.8102.673.8-165.6169.6000111.3
840G25.9Very low34.1Very low70 Ų70136.8 Ų136.872%0.72281%0.806SS**  trans168.498.8177.900000114.1
841Q30.9Very low33.7Very low180 Ų180135.7 Ų135.784%0.84181%0.805SS**  trans-146.5169.5172.8-79.7-74.9-13.900106.5
842P51.8Low33.7Very low100 Ų100135.4 Ų135.465%0.64980%0.803SS**  cis-131-175.8-1.534.3-13.9000114
843L28.7Very low34.7Very low165 Ų165131.6 Ų131.686%0.86480%0.796SS**  174.8172.6119.4-91.4163000113.3
844Y27.6Very low35.4Very low227 Ų227134.4 Ų134.489%0.8980%0.801SS**  trans-118.5-174.1-158.2-109.5-41.2000113.4
845P59.3Low35.2Very low102 Ų102137.8 Ų137.866%0.66280%0.802SS**  trans-115-174.5-145.644.5-31.2000115
846L28.2Very low34.8Very low157 Ų157135.6 Ų135.682%0.82279%0.794SS**  trans-173.2136.6149.6-114.757.3000106.8
847S25.3Very low34.1Very low109 Ų109137.1 Ų137.176%0.76279%0.794SS**  72141.771.7-52.40000114.8
848A27.6Very low34.2Very low81 Ų81137.1 Ų137.167%0.66980%0.795SS**  cis-169.6174.2-10.800000111.6
849T30.8Very low34.7Very low143 Ų143135.5 Ų135.588%0.87779%0.794SS**  trans53.8117.7157.549.10000120.3
850G29.7Very low34.9Very low74 Ų74136.1 Ų136.176%0.76379%0.794SS**  133.8179.486.800000111
851L28Very low35.3Very low166 Ų166142.5 Ų142.587%0.86981%0.805SS**  cis-165.3-168.6-12.9-122.4173.1000110.8
852L38.2Very low35.6Very low158 Ų158142 Ų14283%0.82781%0.808SS**  trans-139.8-179.6179-59.5171.7000110.1
853P56.6Low34.9Very low117 Ų117141.8 Ų141.876%0.7681%0.814SS**  cis-124.6-153.8-15.336.8-14.5000111.5
854P43.2Very low35.3Very low130 Ų130139.9 Ų139.984%0.84481%0.809SS**  -147.9-168.874.739.3-17000116.9
855R32.3Very low35.5Very low244 Ų244136.7 Ų136.792%0.92180%0.804SS**  trans-92.4177.7-172.4-139.7-175.2172.8103.4-6.7110.7
856A30.1Very low34.7Very low68 Ų68140 Ų14056%0.56281%0.811SS**  cis-167.4-17716.800000114.5
857N27Very low35.3Very low166 Ų166140 Ų14089%0.88881%0.806SS**  trans107.4146.2152.9-61.2-15.1000119.7
858A33.3Very low35.7Very low92 Ų92143 Ų14376%0.7681%0.809SS**  trans-135.1173.5177.800000109.3
859P42Very low36.3Very low130 Ų130145.9 Ų145.984%0.84481%0.812SS**  -150179.699.939.7-22.7000115.8
860M37.2Very low36.5Very low179 Ų179148.3 Ų148.388%0.88281%0.813SS**  trans-79161.1168.1-69176.8165.900113
861Q33.6Very low36.5Very low204 Ų204148 Ų14895%0.95381%0.81SS**  trans-156158.7140.4-113173.826.200111.7
862L37.6Very low36.5Very low170 Ų170149.2 Ų149.289%0.8981%0.811SS**  trans-150.2122.2-173.7-176.9153.2000110.9
863A37.5Very low36Very low95 Ų95152.7 Ų152.779%0.78581%0.814SS**  trans-170.9174.4-176.700000111
864V35.7Very low35.2Very low125 Ų125152.1 Ų152.176%0.75881%0.81SS**  -169.5151.8-58.3126.90000109.1
865M33.2Very low34.3Very low160 Ų160154.2 Ų154.279%0.78881%0.81SS**  trans64.6164179.3-80.2166.157.800115.3
866Q40.7Very low34.2Very low172 Ų172151.2 Ų151.280%0.80481%0.807SS**  cis-139.5174.112.1-160.3175.360.900112.6
867Q41.4Very low34.6Very low156 Ų156154.3 Ų154.373%0.72982%0.821SS**  trans-129.5142.9-177169.8-159.6100.500110.6
868Q34.9Very low34.5Very low173 Ų173149.9 Ų149.981%0.80881%0.814SS**  trans-159.6-177.7151.2-155.384.90.500110
869L39.9Very low34.4Very low141 Ų141152.2 Ų152.274%0.73882%0.818SS**  trans-136.7-179.3-156.2-76.1154.5000112.9
870Q33.8Very low34.2Very low194 Ų194152.1 Ų152.191%0.90782%0.818SS**  trans84.2146.2168.1-47.7172.42700115.6
871G29.3Very low33.7Very low67 Ų67147.5 Ų147.569%0.69182%0.816SS**  cis169.6169-8.500000113.9
872Q28.9Very low33.6Very low193 Ų193142.4 Ų142.490%0.90281%0.809SS**  trans77.8141.9166-56.1-64.83.800122.1
873R28.3Very low33.7Very low231 Ų231140.5 Ų140.587%0.87281%0.807SS**  trans-108.4179.8154.6-97.5-162.7-72.2174.6-4.4106.7
874P38.7Very low33.2Very low105 Ų105140.9 Ų140.968%0.68280%0.804SS**  cis-149.4-163.926.732.4-4.4000117.1
875M24.7Very low33Very low173 Ų173143.5 Ų143.585%0.85281%0.808SS**  trans106.1131.6151.7-60.2-51.1-172.700121.8
876H29.8Very low32.6Very low182 Ų182141.8 Ų141.884%0.84380%0.802SS**  trans-90.3168.7160.7-67.4-84.8000108.5
877P39.1Very low32.2Very low133 Ų133142.4 Ų142.486%0.86481%0.805SS**  cis-150.9-176.248.642.6-20.7000117.6
878G25.7Very low31.5Very low72 Ų72138.4 Ų138.474%0.74281%0.805SS**  trans145.9115.8159.800000116
879V30.2Very low31.3Very low141 Ų141138.7 Ų138.786%0.85581%0.811SS**  trans-143.8126168.6168.60000106.9
880P38.6Very low30.8Very low129 Ų129141 Ų14184%0.83882%0.817SS**  -152.4164.3112.738.9-22.4000115.8
881G26.8Very low30.6Very low81 Ų81142.8 Ų142.884%0.83582%0.816SS**  trans124.4114.5150.200000117.2
882A30.1Very low30.7Very low97 Ų97146 Ų14680%0.80282%0.823SS**  trans-116.6158.5153.300000108
883P40.2Very low30.8Very low130 Ų130145.3 Ų145.384%0.84483%0.825SS**  -147.3164.7100.438.2-22.5000116.7
884S27.3Very low30.9Very low104 Ų104137.7 Ų137.773%0.72782%0.819SS**  trans-47.3144.4171179.10000116.8
885Q31.1Very low31Very low180 Ų180138.8 Ų138.884%0.84183%0.828SS**  -166124.9119.1-106.6-173.225.400115.8
886N26Very low31.4Very low124 Ų124138 Ų13866%0.66382%0.823SS**  34.2140.5130-92.2-45.9000125.1
887Q30.6Very low32Very low185 Ų185140.7 Ų140.786%0.86483%0.826SS**  trans72.9146.7146.6-66.1173.928.100120.8
888G28.8Very low31.8Very low71 Ų71141.6 Ų141.673%0.73282%0.818SS**  trans145.1105.7164.700000114.3
889L30.4Very low32.9Very low179 Ų179142.3 Ų142.394%0.93783%0.825SS**  trans-82.3143.3174.4-125.372.3000111.6
890H27.7Very low33.3Very low189 Ų189140.1 Ų140.188%0.87582%0.822SS**  trans-65.3142.7-176.7-62.5-95.7000114.1
891R30.4Very low34Very low233 Ų233139.1 Ų139.188%0.87982%0.818SS**  trans-144.7160.4153.4-98.6-168.9177.6-101.4-3.4111.6
892T32.2Very low35.4Very low135 Ų135138.6 Ų138.683%0.82880%0.8SS**  trans58.8110.1172.753.50000117.9
893N30.6Very low36.7Very low177 Ų177138.3 Ų138.395%0.94779%0.79SS**  trans-69.1128.6159.5-75.6-43.2000110.2
894G29.6Very low37.5Very low72 Ų72141 Ų14174%0.74280%0.797SS**  trans-116127.3162.400000109.1Q896G894-Q896 PolarHBondContact O-N 2.87Å
895S40.4Very low39Very low127 Ų127138 Ų13889%0.88878%0.782SS**  trans-81.8117.9-178-175.10000110.9
896Q33.8Very low40.7Very low158 Ų158132.7 Ų132.774%0.73876%0.759SS**  trans-137.5113.3169.3-165.4164.8-10.700110.6G894 H898G894-Q896 PolarHBondContact O-N 2.87Å; Q896-H898 PolarHBondContact NE2-NE2 3.12Å; Q896-H898 PolarHBondContact O-N 3.37Å
897R42.5Very low42.8Very low237 Ų237129.2 Ų129.289%0.89475%0.747SS**  trans-74116.5178.2-69.9-178.7173.1-161.6-1.7110.2
898H34.4Very low44.7Very low152 Ų152129.5 Ų129.570%0.70475%0.745SS**  trans-123.1128.8155.6-73.4-82.9000108.4Q896 A900Q896-H898 PolarHBondContact NE2-NE2 3.12Å; Q896-H898 PolarHBondContact O-N 3.37Å; H898-A900 PolarHBondContact O-N 3.26Å; H898-A900 VanDerWaalsContact O-N 3.15Å
899G49.3Very low46.5Very low87 Ų87136.2 Ų136.290%0.89775%0.749SS**  trans-71.9105.5179.100000110.2
900A38.9Very low48.8Very low96 Ų96133.7 Ų133.779%0.79373%0.73SS**PPolyproline II helixtrans-76.4127.6167.900000109.1H898H898-A900 PolarHBondContact O-N 3.26Å; H898-A900 VanDerWaalsContact O-N 3.15Å
901S53Low51.1Low108 Ų108126 Ų12676%0.75570%0.703SS**PPolyproline II helixtrans-57.2141.6172.2-51.60000110.5
902P56.3Low53.1Low70 Ų70117.6 Ų117.646%0.45568%0.68SS.*PPolyproline II helixtrans-55139.7176.2-25.434.1000111.5L904 L915P902-L904 PolarHBondContact O-N 3.06Å; P902-L915 HydrophobicContact CB-CD1 4.21Å; P902-L915 HydrophobicContact CG-CB 4.46Å
903P57.4Low55Low90 Ų90116.8 Ų116.858%0.58467%0.67SS**PPolyproline II helixtrans-60.2133.5-178.123.3-32.5000110.8G905 L906P903-G905 PolarHBondContact O-N 3.41Å; P903-L906 HydrophobicContact CG-CD1 3.64Å; P903-L906 HydrophobicContact CG-CG 4.09Å; P903-L906 PolarHBondContact O-N 2.7Å
904L56.9Low57Low188 Ų188112.3 Ų112.398%0.98465%0.649SS**THydrogen-bonded Turntrans-57.2106.1-169.1-68.3175000111.5P902P902-L904 PolarHBondContact O-N 3.06Å
905G59.2Low59Low40 Ų40111.9 Ų111.941%0.41263%0.629SS.*THydrogen-bonded Turntrans138.8-35.117900000113.9P903 A907 K908P903-G905 PolarHBondContact O-N 3.41Å; G905-A907 VanDerWaalsContact C-N 3.33Å; G905-A907 PolarHBondContact O-N 3.12Å; G905-K908 VanDerWaalsContact O-CB 3.27Å; G905-K908 WeakPolarHBondContact O-CB 3.31Å; G905-K908 PolarHBondContact O-N 3.19Å
906L66.1Low60.3Low68 Ų68113.1 Ų113.136%0.35662%0.621SS.*THydrogen-bonded Turntrans-62.1-37.8-174-65.7-174.1000113.1P903 K908 W909 F910 L915P903-L906 HydrophobicContact CG-CD1 3.64Å; P903-L906 HydrophobicContact CG-CG 4.09Å; P903-L906 PolarHBondContact O-N 2.7Å; L906-K908 PolarHBondContact O-N 3.15Å; L906-K908 VanDerWaalsContact O-N 3.08Å; L906-W909 PolarHBondContact O-N 2.89Å; L906-F910 HydrophobicContact CB-CD2 4.48Å; L906-F910 HydrophobicContact CD2-CE2 4.32Å; L906-F910 PolarHBondContact O-N 3.41Å; L906-L915 HydrophobicContact CB-CD1 3.75Å; L906-L915 HydrophobicContact CB-CD2 4.35Å
907A69.9Low62.3Low51 Ų51112 Ų11242%0.42162%0.616SS.*Hα-helixtrans-62.2-16.9176.700000113.6G905 G911 L915G905-A907 VanDerWaalsContact C-N 3.33Å; G905-A907 PolarHBondContact O-N 3.12Å; A907-G911 CarbonylContact O-C 3.46Å; A907-G911 WeakPolarHBondContact O-CA 3.38Å; A907-G911 PolarHBondContact O-N 3.34Å; A907-L915 HydrophobicContact CB-CD1 3.95Å
908K70.3Confident63.5Low191 Ų191106.5 Ų106.583%0.8361%0.611SS**Hα-helixtrans-82-19.5174-165.8177.6177.7-177.10113.2G905 L906G905-K908 VanDerWaalsContact O-CB 3.27Å; G905-K908 WeakPolarHBondContact O-CB 3.31Å; G905-K908 PolarHBondContact O-N 3.19Å; L906-K908 PolarHBondContact O-N 3.15Å; L906-K908 VanDerWaalsContact O-N 3.08Å
909W67.7Low65.2Low213 Ų213106.8 Ų106.881%0.80762%0.617SS**Hα-helixtrans-99.6-37.8178.8-65.999.3000112.4L906L906-W909 PolarHBondContact O-N 2.89Å
910F77.4Confident65.9Low125 Ų125108.5 Ų108.555%0.54861%0.612SS.*Hα-helixtrans-112-10.4-174.7-58.1-75.2000114.1L906 V914L906-F910 HydrophobicContact CB-CD2 4.48Å; L906-F910 HydrophobicContact CD2-CE2 4.32Å; L906-F910 PolarHBondContact O-N 3.41Å; F910-V914 HydrophobicContact CB-CB 4.42Å; F910-V914 HydrophobicContact CB-CG1 4.42Å; F910-V914 WeakPolarHBondContact O-CB 3.48Å; F910-V914 WeakPolarHBondContact O-CG2 3.47Å
911G76.1Confident66.9Low28 Ų28109.3 Ų109.329%0.28961%0.612SS.*  trans83.1158.4-166.200000112.4A907 D913A907-G911 CarbonylContact O-C 3.46Å; A907-G911 WeakPolarHBondContact O-CA 3.38Å; A907-G911 PolarHBondContact O-N 3.34Å; G911-D913 VanDerWaalsContact C-N 3.31Å
912S72.6Confident67Low57 Ų57111.5 Ų111.540%0.39961%0.612SS.*Hα-helixtrans-58.7-47.3166.730.30000110.7V914 L915 E916S912-V914 PolarHBondContact O-N 3.33Å; S912-V914 VanDerWaalsContact O-N 3.17Å; S912-L915 CarbonylContact O-C 3.37Å; S912-L915 WeakPolarHBondContact O-CA 3.35Å; S912-L915 WeakPolarHBondContact O-CB 3.43Å; S912-L915 PolarHBondContact O-N 3.42Å; S912-E916 PolarHBondContact O-N 3.41Å
913D71.8Confident66.9Low118 Ų118113 Ų11363%0.63162%0.622SS**Hα-helixtrans-68.6-25.1-162.9-40.2-6.6000112.2G911 Q917G911-D913 VanDerWaalsContact C-N 3.31Å; D913-Q917 WeakPolarHBondContact O-CG 3.5Å; D913-Q917 PolarHBondContact O-N 3.13Å
914V72.9Confident66.8Low83 Ų83114 Ų11450%0.50364%0.637SS.*Hα-helixtrans-82.4-29.6174.6178.70000111.7F910 S912F910-V914 HydrophobicContact CB-CB 4.42Å; F910-V914 HydrophobicContact CB-CG1 4.42Å; F910-V914 WeakPolarHBondContact O-CB 3.48Å; F910-V914 WeakPolarHBondContact O-CG2 3.47Å; S912-V914 PolarHBondContact O-N 3.33Å; S912-V914 VanDerWaalsContact O-N 3.17Å
915L71Confident66.6Low62 Ų62113.6 Ų113.633%0.32563%0.628SS.*Hα-helixtrans-80.7-21.9175.2-67.9167000112.5P902 L906 A907 S912P902-L915 HydrophobicContact CB-CD1 4.21Å; P902-L915 HydrophobicContact CG-CB 4.46Å; L906-L915 HydrophobicContact CB-CD1 3.75Å; L906-L915 HydrophobicContact CB-CD2 4.35Å; A907-L915 HydrophobicContact CB-CD1 3.95Å; S912-L915 CarbonylContact O-C 3.37Å; S912-L915 WeakPolarHBondContact O-CA 3.35Å; S912-L915 WeakPolarHBondContact O-CB 3.43Å; S912-L915 PolarHBondContact O-N 3.42Å
916E68.6Low66.5Low153 Ų153117.5 Ų117.572%0.71564%0.643SS**SBendtrans-89.1-7173.9-68.4-177.6-175.700113.3S912S912-E916 PolarHBondContact O-N 3.41Å
917Q75.1Confident66Low136 Ų136119.2 Ų119.264%0.63665%0.652SS**SBendtrans-66.6128.1173.3-88.5-179.58.600111.2D913 L919D913-Q917 WeakPolarHBondContact O-CG 3.5Å; D913-Q917 PolarHBondContact O-N 3.13Å; Q917-L919 PolarHBondContact O-N 3.45Å
918P67.8Low65.5Low120 Ų120118.9 Ų118.978%0.77965%0.646SS**PPolyproline II helixtrans-67.3127.8174.628.1-33.4000109.8
919L71.1Confident64.8Low159 Ų159114.9 Ų114.983%0.83264%0.638SS**PPolyproline II helixtrans-55140.1174.9-67.1174.3000110.6Q917 S921Q917-L919 PolarHBondContact O-N 3.45Å; L919-S921 PolarHBondContact O-N 3.15Å
920P63.8Low64.2Low122 Ų122110.1 Ų110.179%0.79263%0.628SS**PPolyproline II helixtrans-59.7131.9179.425.2-34000110.2M922P920-M922 PolarHBondContact O-N 3.02Å
921S59.5Low63.5Low114 Ų114110.1 Ų110.180%0.79763%0.63SS**PPolyproline II helixtrans-63.1123.1-178.355.40000110.8L919L919-S921 PolarHBondContact O-N 3.15Å
922M55.6Low62.7Low154 Ų154114.8 Ų114.876%0.75965%0.647SS**PPolyproline II helixtrans-51.2139167.1-101.4-176.665.900110.2P920 A924P920-M922 PolarHBondContact O-N 3.02Å; M922-A924 PolarHBondContact O-N 3.44Å
923P54.4Low62.3Low101 Ų101119 Ų11966%0.65666%0.661SS**PPolyproline II helixtrans-62125.3174.726.1-33.2000109.6K925P923-K925 PolarHBondContact O-N 3.02Å
924A55.2Low61.3Low110 Ų110121.4 Ų121.491%0.90967%0.666SS**SBendtrans-71.818.9-176.400000114.5M922M922-A924 PolarHBondContact O-N 3.44Å
925K52.2Low60.1Low181 Ų181125.3 Ų125.379%0.78768%0.678SS**  trans-126.789.4173.9-69.9-168.7174.5-1670108.5P923 I927P923-K925 PolarHBondContact O-N 3.02Å; K925-I927 PolarHBondContact O-N 2.97Å
926V57.1Low59Low122 Ų122131.9 Ų131.974%0.73973%0.725SS**  trans-73.9103.2158.4179.50000105.5S928V926-S928 PolarHBondContact O-N 3.42Å
927I56.8Low58.5Low103 Ų103130.8 Ų130.853%0.52873%0.725SS.*  trans-60.1125.3170.6-57.6173.7000106.2K925 E931 L932K925-I927 PolarHBondContact O-N 2.97Å; I927-E931 HydrophobicContact CG2-CB 3.69Å; I927-L932 HydrophobicContact CG2-CD1 4.09Å; I927-L932 HydrophobicContact CG2-CG 4.18Å
928S58.9Low57.6Low45 Ų45130.5 Ų130.532%0.31573%0.73SS.*  trans-71.3158.6177.370.90000110.2V926 D930 E931 L932V926-S928 PolarHBondContact O-N 3.42Å; S928-D930 PolarHBondContact O-N 3.35Å; S928-D930 PolarHBondContact OG-OD2 3.32Å; S928-E931 PolarHBondContact O-N 3.23Å; S928-E931 VanDerWaalsContact O-N 3.15Å; S928-E931 PolarHBondContact OG-N 3Å; S928-E931 VanDerWaalsContact OG-N 3.17Å; S928-L932 PolarHBondContact O-N 3.33Å
929V54.6Low57.1Low107 Ų107131.1 Ų131.165%0.64873%0.727SS**Hα-helixtrans-58.1-36.4173.4-1780000109.9E931 L932 E933V929-E931 PolarHBondContact O-N 3.22Å; V929-L932 WeakPolarHBondContact O-CB 3.46Å; V929-L932 PolarHBondContact O-N 3.15Å; V929-L932 VanDerWaalsContact O-N 3.15Å; V929-E933 PolarHBondContact O-N 3.1Å
930D55Low56.3Low113 Ų113129.5 Ų129.560%0.60472%0.721SS**Hα-helixtrans-63-37.7176.7-37.9-76.2000113.2S928 L932 E933 F934S928-D930 PolarHBondContact O-N 3.35Å; S928-D930 PolarHBondContact OG-OD2 3.32Å; D930-L932 PolarHBondContact O-N 3.49Å; D930-E933 PolarHBondContact O-N 2.61Å; D930-F934 WeakPolarHBondContact O-CD2 3.46Å
931E64.4Low55.8Low124 Ų124129.9 Ų129.958%0.57972%0.716SS**Hα-helixtrans-67.2-23.2176.4-81.2-171.5141.700112.7I927 S928 V929I927-E931 HydrophobicContact CG2-CB 3.69Å; S928-E931 PolarHBondContact O-N 3.23Å; S928-E931 VanDerWaalsContact O-N 3.15Å; S928-E931 PolarHBondContact OG-N 3Å; S928-E931 VanDerWaalsContact OG-N 3.17Å; V929-E931 PolarHBondContact O-N 3.22Å
932L59.4Low55.5Low126 Ų126131 Ų13166%0.6671%0.711SS**Hα-helixtrans-84.8-21.7177.9-99.9152.4000113.7I927 S928 V929 D930I927-L932 HydrophobicContact CG2-CD1 4.09Å; I927-L932 HydrophobicContact CG2-CG 4.18Å; S928-L932 PolarHBondContact O-N 3.33Å; V929-L932 WeakPolarHBondContact O-CB 3.46Å; V929-L932 PolarHBondContact O-N 3.15Å; V929-L932 VanDerWaalsContact O-N 3.15Å; D930-L932 PolarHBondContact O-N 3.49Å
933E63.7Low55.5Low146 Ų146129.4 Ų129.468%0.68271%0.708SS**Hα-helixtrans-85.8-15.6178.7-68.7-169.2173.400113.7V929 D930V929-E933 PolarHBondContact O-N 3.1Å; D930-E933 PolarHBondContact O-N 2.61Å
934F50.6Low55.6Low169 Ų169131.5 Ų131.574%0.74171%0.712SS**SBendtrans-1010.1-174.5-85.2-83.8000116.1D930D930-F934 WeakPolarHBondContact O-CD2 3.46Å
935H46.8Very low55.7Low165 Ų165133.3 Ų133.376%0.76470%0.695SS**  trans-132.395.5176.3-78.4-60000112.1
936P48.4Very low56Low199 Ų199129 Ų129100%1.29269%0.687SS**  trans-79.10172.534.7-35.7000113.3

Retrieved 936 of 936 residues in 551.6 ms (Link to these results)