A0A087X6G6_POEFO Loading...

Centrosomal protein of 162 kDa

AlphaFold DB , UniProt , Accession A0A087X6G6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,253 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.8Very low38.2Very low258 Ų258165.7 Ų165.7100%1.27183%0.83SS**  0143.20-54.9175.2-172.500107.3
2G33.5Very low38.4Very low68 Ų68171.8 Ų171.870%0.70184%0.836SS**  cis176.1146.5-9.100000112.2
3F36.8Very low38.3Very low217 Ų217167.5 Ų167.595%0.95283%0.834SS**  trans64.7139.5164.3-72.1-85.9000122
4F42.7Very low38.5Very low186 Ų186166.4 Ų166.482%0.81683%0.831SS**  trans-86.1151.5166.5-85.3-122.4000110.5
5F41Very low38.8Very low166 Ų166166.3 Ų166.373%0.72883%0.831SS**  -174164.597.5-115.8-94.4000114.2
6R41.2Very low39.1Very low182 Ų182162.9 Ų162.969%0.68782%0.823SS**  trans-41.8159.9-177.3-56.1166.9178.2164.3-3.2115.7
7F33.3Very low38.5Very low181 Ų181161.4 Ų161.479%0.79481%0.814SS**  cis-145.9-179.627.8-68.3-96.6000110.5
8S32.4Very low38.7Very low93 Ų93159.1 Ų159.165%0.6582%0.815SS**  cis-154159.8-2.7-132.90000110.7Q10S8-Q10 PolarHBondContact O-N 3.23Å
9P44.1Very low38.8Very low127 Ų127160.8 Ų160.883%0.82581%0.812SS**  trans-101.753-165.340.9-37.1000115.6
10Q40.4Very low39.2Very low173 Ų173164.6 Ų164.681%0.80882%0.816SS**SBendtrans-135.15.5-173.7-139156.42.800116.9S8S8-Q10 PolarHBondContact O-N 3.23Å
11L40.6Very low39.8Very low172 Ų172162.2 Ų162.290%0.90180%0.803SS**SBendtrans-126.746172.8-83.794.9000112.8
12R39.8Very low41.3Very low238 Ų238153.2 Ų153.290%0.89876%0.762SS**SBendtrans-137.423.5168.5-78.6-163.1174.5-152.5-1113.8
13S37.2Very low42.6Very low117 Ų117157.3 Ų157.382%0.81876%0.761SS**SBendtrans-110.712.1176.3-165.80000113.2
14I41.5Very low43.9Very low152 Ų152154.3 Ų154.378%0.77975%0.75SS**SBendtrans-132138174.1-51.4178.3000105.4
15I42.1Very low45.2Very low164 Ų164150.1 Ų150.184%0.84173%0.733SS**SBendtrans6955.3-169.3-37.5178.1000113.7
16T44.6Very low46.8Very low113 Ų113146.8 Ų146.869%0.69372%0.722SS**  trans-162.4166.3142.4-0.30000109.2
17M28.1Very low48.2Very low137 Ų137142 Ų14268%0.67571%0.71SS**  trans71.459.3-176-49.8-66.285.800115.6Y19M17-Y19 VanDerWaalsContact C-N 3.27Å; M17-Y19 HydrophobicContact CB-CD2 4.44Å; M17-Y19 HydrophobicContact CE-CD2 4.39Å; M17-Y19 HydrophobicContact CE-CE2 3.91Å; M17-Y19 PolarHBondContact O-N 3.15Å; M17-Y19 HydrophobicContact SD-CD2 3.84Å; M17-Y19 HydrophobicContact SD-CE2 3.66Å
18S42.2Very low50.1Low120 Ų120135.9 Ų135.984%0.83969%0.693SS**  trans-78.583.5148.4-174.10000108.7
19Y41.5Very low52Low192 Ų192136.9 Ų136.975%0.75369%0.687SS**  trans-103.6112.4162.2-85.3-79.6000107.4M17 Q21M17-Y19 VanDerWaalsContact C-N 3.27Å; M17-Y19 HydrophobicContact CB-CD2 4.44Å; M17-Y19 HydrophobicContact CE-CD2 4.39Å; M17-Y19 HydrophobicContact CE-CE2 3.91Å; M17-Y19 PolarHBondContact O-N 3.15Å; M17-Y19 HydrophobicContact SD-CD2 3.84Å; M17-Y19 HydrophobicContact SD-CE2 3.66Å; Y19-Q21 PolarHBondContact O-N 3.06Å
20R46.8Very low52.8Low235 Ų235137.2 Ų137.289%0.88768%0.676SS**  trans-69.4114.6164.8-70.6-174.7178.8-167.10.4107T22R20-T22 PolarHBondContact O-N 2.98Å
21Q52Low54.5Low115 Ų115134.3 Ų134.354%0.53766%0.662SS.*  trans-56.6137.4161.8-69.7171.1-73.100108.1Y19 E25Y19-Q21 PolarHBondContact O-N 3.06Å; Q21-E25 WeakPolarHBondContact CA-OE2 3.32Å
22T65.1Low55.8Low70 Ų70132.8 Ų132.843%0.42965%0.649SS.*  trans-74.5159.9175.271.40000109.7R20 E24 E25 L26R20-T22 PolarHBondContact O-N 2.98Å; T22-E24 PolarHBondContact O-N 3.46Å; T22-E25 PolarHBondContact N-OE2 3.1Å; T22-E25 PolarHBondContact O-N 3.09Å; T22-E25 VanDerWaalsContact O-N 3.12Å; T22-E25 PolarHBondContact OG1-N 2.99Å; T22-L26 PolarHBondContact O-N 2.65Å
23K60.4Low57.1Low153 Ų153128.1 Ų128.167%0.66564%0.635SS**Hα-helixtrans-57.7-35.1176.5-168.2-167.6169.6-1600111.4E25 L26 D27K23-E25 VanDerWaalsContact C-N 3.32Å; K23-E25 PolarHBondContact O-N 3.42Å; K23-L26 WeakPolarHBondContact O-CB 3.4Å; K23-L26 PolarHBondContact O-N 2.78Å; K23-D27 VanDerWaalsContact CE-OD2 3.25Å; K23-D27 WeakPolarHBondContact CE-OD2 3.33Å; K23-D27 IonicContact NZ-OD2 2.61Å; K23-D27 WeakPolarHBondContact O-CB 3.42Å; K23-D27 PolarHBondContact O-N 3.3Å
24E65.4Low58.6Low154 Ų154127.4 Ų127.472%0.7262%0.621SS**Hα-helixtrans-66-31.8179.6-61.1169.516000112.6T22 A28T22-E24 PolarHBondContact O-N 3.46Å; E24-A28 WeakPolarHBondContact O-CB 3.48Å; E24-A28 PolarHBondContact O-N 3.48Å
25E70.6Confident59.5Low99 Ų99127 Ų12746%0.46361%0.614SS.*Hα-helixtrans-71.2-40.4173.5-67.4173.7132.600111.5Q21 T22 K23 A28 E29Q21-E25 WeakPolarHBondContact CA-OE2 3.32Å; T22-E25 PolarHBondContact N-OE2 3.1Å; T22-E25 PolarHBondContact O-N 3.09Å; T22-E25 VanDerWaalsContact O-N 3.12Å; T22-E25 PolarHBondContact OG1-N 2.99Å; K23-E25 VanDerWaalsContact C-N 3.32Å; K23-E25 PolarHBondContact O-N 3.42Å; E25-A28 PolarHBondContact O-N 2.85Å; E25-E29 PolarHBondContact O-N 2.58Å
26L73.2Confident60Low95 Ų95127.2 Ų127.250%0.49761%0.612SS.*Hα-helixtrans-65.2-46.4173.8-95.9154.2000112.2T22 K23 A28 E29 F30T22-L26 PolarHBondContact O-N 2.65Å; K23-L26 WeakPolarHBondContact O-CB 3.4Å; K23-L26 PolarHBondContact O-N 2.78Å; L26-A28 VanDerWaalsContact C-N 3.25Å; L26-A28 PolarHBondContact O-N 3.37Å; L26-E29 PolarHBondContact O-N 3.25Å; L26-F30 WeakPolarHBondContact O-CB 3.27Å; L26-F30 PolarHBondContact O-N 3.21Å
27D70.7Confident60.1Low82 Ų82125.5 Ų125.544%0.43960%0.604SS.*Hα-helixtrans-63.6-32.6176.1-69.7-22.2000110.6K23 F30 E31K23-D27 VanDerWaalsContact CE-OD2 3.25Å; K23-D27 WeakPolarHBondContact CE-OD2 3.33Å; K23-D27 IonicContact NZ-OD2 2.61Å; K23-D27 WeakPolarHBondContact O-CB 3.42Å; K23-D27 PolarHBondContact O-N 3.3Å; D27-F30 PolarHBondContact O-N 3.02Å; D27-E31 PolarHBondContact O-N 3.29Å
28A74Confident60.8Low52 Ų52124.3 Ų124.343%0.4360%0.604SS.*Hα-helixtrans-74.5-34.4174.500000114.4E24 E25 L26 K32E24-A28 WeakPolarHBondContact O-CB 3.48Å; E24-A28 PolarHBondContact O-N 3.48Å; E25-A28 PolarHBondContact O-N 2.85Å; L26-A28 VanDerWaalsContact C-N 3.25Å; L26-A28 PolarHBondContact O-N 3.37Å; A28-K32 PolarHBondContact O-N 2.9Å; A28-K32 VanDerWaalsContact O-N 3.08Å
29E71.3Confident60.5Low115 Ų115124 Ų12454%0.53760%0.602SS.*Hα-helixtrans-68-36.4168.6-74.3-164.7130.900111.4E25 L26 K32 F33E25-E29 PolarHBondContact O-N 2.58Å; L26-E29 PolarHBondContact O-N 3.25Å; E29-K32 WeakPolarHBondContact O-CB 3.47Å; E29-K32 PolarHBondContact O-N 2.95Å; E29-F33 PolarHBondContact O-N 3.42Å
30F61.5Low60.2Low134 Ų134122.1 Ų122.159%0.58861%0.605SS**Hα-helixtrans-66.7-41.7175.2-154.7-97.3000112.1L26 D27 K32 F33 L34L26-F30 WeakPolarHBondContact O-CB 3.27Å; L26-F30 PolarHBondContact O-N 3.21Å; D27-F30 PolarHBondContact O-N 3.02Å; F30-K32 VanDerWaalsContact C-N 3.34Å; F30-K32 PolarHBondContact O-N 2.89Å; F30-F33 PolarHBondContact O-N 3.11Å; F30-L34 HydrophobicContact CD1-CD1 3.94Å; F30-L34 HydrophobicContact CD1-CG 4.47Å; F30-L34 HydrophobicContact CE1-CD1 4.03Å; F30-L34 HydrophobicContact CE1-CG 4.48Å; F30-L34 WeakPolarHBondContact O-CG 3.45Å; F30-L34 PolarHBondContact O-N 3.42Å; F30-L34 VanDerWaalsContact O-N 3.09Å
31E75.1Confident59.4Low111 Ų111118 Ų11852%0.51960%0.601SS.*Hα-helixtrans-61.2-38.5170.7-96.9-143.9166.200112.9D27 K35D27-E31 PolarHBondContact O-N 3.29Å; E31-K35 WeakPolarHBondContact O-CB 3.29Å; E31-K35 WeakPolarHBondContact O-CD 3.08Å; E31-K35 VanDerWaalsContact O-CG 3.3Å; E31-K35 WeakPolarHBondContact O-CG 3.34Å; E31-K35 PolarHBondContact O-N 3.29Å; E31-K35 VanDerWaalsContact O-N 3.08Å; E31-K35 IonicContact OE1-NZ 2.74Å; E31-K35 IonicContact OE2-NZ 2.61Å; E31-K35 PolarHBondContact OE2-NZ 3.29Å
32K68.4Low58.6Low141 Ų141117.5 Ų117.561%0.61361%0.61SS**Hα-helixtrans-62.6-47.6173.8-84.8-179.7176175.40111.5A28 E29 F30 L34 K35 E36A28-K32 PolarHBondContact O-N 2.9Å; A28-K32 VanDerWaalsContact O-N 3.08Å; E29-K32 WeakPolarHBondContact O-CB 3.47Å; E29-K32 PolarHBondContact O-N 2.95Å; F30-K32 VanDerWaalsContact C-N 3.34Å; F30-K32 PolarHBondContact O-N 2.89Å; K32-L34 VanDerWaalsContact C-N 3.27Å; K32-L34 PolarHBondContact O-N 3.21Å; K32-K35 CarbonylContact O-C 3.56Å; K32-K35 WeakPolarHBondContact O-CA 3.25Å; K32-K35 PolarHBondContact O-N 2.78Å; K32-E36 WeakPolarHBondContact O-CB 3.49Å; K32-E36 PolarHBondContact O-N 2.85Å
33F67.9Low57.2Low139 Ų139120.4 Ų120.461%0.6163%0.627SS**Hα-helixtrans-58.1-40.1179.6-176.4-103.5000112.3E29 F30 S37E29-F33 PolarHBondContact O-N 3.42Å; F30-F33 PolarHBondContact O-N 3.11Å; F33-S37 WeakPolarHBondContact O-CB 3.16Å; F33-S37 PolarHBondContact O-N 3.49Å; F33-S37 PolarHBondContact O-OG 2.82Å
34L68.1Low55.8Low102 Ų102119.6 Ų119.653%0.53463%0.63SS.*Hα-helixtrans-67.4-31.9173.6-70.1170.7000113.4F30 K32F30-L34 HydrophobicContact CD1-CD1 3.94Å; F30-L34 HydrophobicContact CD1-CG 4.47Å; F30-L34 HydrophobicContact CE1-CD1 4.03Å; F30-L34 HydrophobicContact CE1-CG 4.48Å; F30-L34 WeakPolarHBondContact O-CG 3.45Å; F30-L34 PolarHBondContact O-N 3.42Å; F30-L34 VanDerWaalsContact O-N 3.09Å; K32-L34 VanDerWaalsContact C-N 3.27Å; K32-L34 PolarHBondContact O-N 3.21Å
35K60.6Low54Low143 Ų143119.9 Ų119.962%0.62264%0.636SS**Hα-helixtrans-84.4-25.9179.4-73.7166.5-178.3169.50113.9E31 K32E31-K35 WeakPolarHBondContact O-CB 3.29Å; E31-K35 WeakPolarHBondContact O-CD 3.08Å; E31-K35 VanDerWaalsContact O-CG 3.3Å; E31-K35 WeakPolarHBondContact O-CG 3.34Å; E31-K35 PolarHBondContact O-N 3.29Å; E31-K35 VanDerWaalsContact O-N 3.08Å; E31-K35 IonicContact OE1-NZ 2.74Å; E31-K35 IonicContact OE2-NZ 2.61Å; E31-K35 PolarHBondContact OE2-NZ 3.29Å; K32-K35 CarbonylContact O-C 3.56Å; K32-K35 WeakPolarHBondContact O-CA 3.25Å; K32-K35 PolarHBondContact O-N 2.78Å
36E52Low51.8Low170 Ų170120.2 Ų120.279%0.79465%0.649SS**Hα-helixtrans-86.1-12.9-179.1-165.6159.8-166.300112.8K32K32-E36 WeakPolarHBondContact O-CB 3.49Å; K32-E36 PolarHBondContact O-N 2.85Å
37S47.6Very low49.7Very low77 Ų77121.5 Ų121.554%0.53867%0.666SS.*SBendtrans-96.28.3-174.9-57.50000115.7F33F33-S37 WeakPolarHBondContact O-CB 3.16Å; F33-S37 PolarHBondContact O-N 3.49Å; F33-S37 PolarHBondContact O-OG 2.82Å
38V42.4Very low48.7Very low111 Ų111123.1 Ų123.167%0.67368%0.681SS**  trans-134.386.7-173-169.10000113.9
39S36.2Very low46.4Very low115 Ų115126.3 Ų126.380%0.80469%0.691SS**  trans-167.8100.4148-72.60000105.2
40D34Very low44.4Very low152 Ų152127.8 Ų127.881%0.81370%0.696SS**  60.110568.4-162.224.5000111.9
41D31.3Very low42.9Very low149 Ų149129.9 Ų129.980%0.79771%0.707SS**  trans-124.679.8-175.9-168.920.5000108.9
42S35.7Very low40.7Very low103 Ų103129.1 Ų129.172%0.7272%0.72SS**  trans-87.6112.9-175.3-174.40000111.4D44S42-D44 PolarHBondContact O-N 3.38Å
43V34.1Very low38.9Very low132 Ų132131.5 Ų131.580%0.873%0.73SS**  trans-90.993.5179.3-76.90000112.4
44D31.4Very low37.1Very low135 Ų135131.2 Ų131.272%0.72274%0.74SS**  trans-94.9142.1159.4-17217.1000110.8S42S42-D44 PolarHBondContact O-N 3.38Å
45L27.9Very low35.2Very low161 Ų161137.4 Ų137.484%0.84376%0.756SS**  trans-133.683.3176.7-78.2-180000110.8
46S25.2Very low33.6Very low106 Ų106135.9 Ų135.974%0.74176%0.764SS**  trans-142.4127.5155.1-840000112.4
47S28.1Very low32.5Very low121 Ų121132.3 Ų132.385%0.84676%0.757SS**  trans-171.7162.6-179.4-89.40000108.1
48P49.3Very low31.5Very low116 Ų116137.1 Ų137.175%0.75377%0.771SS**  cis-131.5176.21342.3-28.7000114.9
49D25.4Very low30.8Very low120 Ų120140.5 Ų140.564%0.64278%0.777SS**  -157.8144.6120.8-131.5-16.4000116.1
50K30.7Very low30.4Very low146 Ų146139.5 Ų139.564%0.63577%0.77SS**  trans39.7112.5153.3-74.2150.6-163.4133.40124.3
51Q29.4Very low30.2Very low178 Ų178137.1 Ų137.183%0.83277%0.765SS**  94.6150111.6-75179.55.600123.1
52A29.6Very low30.2Very low95 Ų95139.3 Ų139.379%0.78577%0.77SS**  trans63.9113.916500000117.5
53K29.6Very low30Very low191 Ų191144 Ų14483%0.8378%0.778SS**  cis98.8133.123.3-165.6-176.2179.3179.50113.7
54T29.6Very low30.3Very low132 Ų132143 Ų14381%0.8177%0.774SS**  trans78.3162.1179.374.90000116.8
55R28.3Very low30Very low232 Ų232144.5 Ų144.588%0.87578%0.78SS**  -174.3150.1-58.8-138.8-176.9179.5-174.3-1107.4
56S28.3Very low30Very low112 Ų112142.8 Ų142.878%0.78378%0.776SS**  trans67.4161.2167.6810000116.3
57S28.2Very low30.1Very low94 Ų94142.6 Ų142.666%0.65778%0.775SS**  cis-176.1148.2-32.8-94.30000109.3
58Q27.5Very low30.1Very low179 Ų179147.9 Ų147.984%0.83678%0.777SS**  trans64.7147.6165-62.1168.5-65.500115.2
59K26.3Very low29.2Very low182 Ų182151.8 Ų151.879%0.79178%0.776SS**  cis-159.91719.9-152.3172.6175179.90110.7
60S28.8Very low29.3Very low94 Ų94153.7 Ų153.766%0.65778%0.782SS**  trans57.795.8153.150.80000120.5
61S29.6Very low29.4Very low102 Ų102152.9 Ų152.971%0.71378%0.784SS**  33.9112.3116.959.70000120.5
62Q31.1Very low29.7Very low194 Ų194151.7 Ų151.791%0.90778%0.784SS**  43.2136.4128.7-72.8172.6-32.300121.8
63K31.9Very low29.8Very low203 Ų203154.5 Ų154.588%0.88378%0.78SS**  trans-84.1145178.9-48.8167.7-176.9174.90112
64P39.5Very low29.8Very low110 Ų110152 Ų15271%0.71478%0.776SS**  trans-89.1162.7145.536.8-31.7000111.1
65I25.7Very low29.8Very low166 Ų166151.6 Ų151.685%0.85178%0.779SS**  trans162.5140.1139.2-87160.1000109.8
66V28.4Very low29.8Very low125 Ų125146.2 Ų146.276%0.75878%0.776SS**  trans-142.6156.9-177.31710000109.5
67S27.1Very low29.7Very low103 Ų103144.5 Ų144.572%0.7278%0.776SS**  trans57.997.8161.160.70000120.5
68W26.7Very low29.9Very low232 Ų232149.4 Ų149.488%0.87979%0.789SS**  trans-166.8123.7161.1-10372.7000105.8
69W31.9Very low30Very low197 Ų197146.2 Ų146.275%0.74679%0.786SS**  cis-121.9166.3-34.2-71.871.7000105.5
70Q27.7Very low30.1Very low161 Ų161142.7 Ų142.775%0.75279%0.785SS**  cis86.615231.1-161.1160.814.300115.7
71D32.1Very low30.2Very low129 Ų129147.5 Ų147.569%0.6979%0.794SS**  trans-83158-153.3-42.3-67.3000117.5
72D35.1Very low30.3Very low153 Ų153149.1 Ų149.182%0.81880%0.8SS**  -173.5126.2110.7-101.8-12.5000114.6
73E33.3Very low31.1Very low153 Ų153146 Ų14672%0.71580%0.796SS**  trans57.5137.3144.3-70.5-62.1106.100127.3
74N28.3Very low31Very low140 Ų140140.1 Ų140.175%0.74979%0.794SS**  trans57.7109.1151.4-78.9-52.9000123.5
75S29.1Very low30.5Very low123 Ų123138.5 Ų138.586%0.8680%0.797SS**  -161.3147.9112-167.40000112.2
76S28.4Very low30.7Very low118 Ų118138.3 Ų138.383%0.82580%0.798SS**  trans-95.2143.5175.1540000112
77G27.7Very low30.8Very low76 Ų76139.8 Ų139.878%0.78480%0.798SS**  trans174.976.8-179.600000116.5
78E30.8Very low31.3Very low198 Ų198139.7 Ų139.793%0.92580%0.797SS**  trans29.4107.4144-162.3156.1-129.800119.8
79S29.4Very low31.4Very low111 Ų111133.7 Ų133.778%0.77680%0.798SS**  trans-113.6102.4178.1165.40000113.1
80S29Very low31.6Very low109 Ų109133.6 Ų133.676%0.76281%0.808SS**  trans-92.1128.5172.649.80000112.6
81K31.6Very low31.8Very low194 Ų194128.8 Ų128.884%0.84380%0.801SS**  trans-151.5108.2172.4-74.3-161.1176.6-176.80115.7
82T31.9Very low32.4Very low136 Ų136131.2 Ų131.283%0.83481%0.813SS**  trans-162.4176.4155.850.50000106.6
83P47Very low32.6Very low128 Ų128130.2 Ų130.283%0.83181%0.808SS**  cis-82.9-154.5-21.9-9.831.4000111.6
84G29.6Very low33.6Very low81 Ų81126.2 Ų126.284%0.83579%0.794SS**  cis119.8102.5-16.500000117.6
85G29.3Very low34.8Very low76 Ų76126.7 Ų126.778%0.78480%0.796SS**  trans-153.814216400000109
86N30Very low36.1Very low162 Ų162127.8 Ų127.887%0.86679%0.787SS**  cis-135.7167.829.5-84.7-20.3000110.5
87M30.5Very low37.8Very low156 Ų156127.1 Ų127.177%0.76877%0.771SS**  cis-159.2170.110.6-126.2-76.8-8000110.5
88S38Very low39.3Very low100 Ų100129.7 Ų129.770%0.69976%0.763SS**  trans62.2108.3165.1-660000120.7
89A28.8Very low41.1Very low107 Ų107125.3 Ų125.388%0.88474%0.742SS**  trans-150.2160.3149.400000110.4
90M35.7Very low42.7Very low195 Ų195125.9 Ų125.996%0.96173%0.733SS**  trans-100.2156179.8-66156.556.600111.4
91G31.3Very low44.6Very low60 Ų60126.1 Ų126.162%0.61972%0.72SS**  trans122.7124.1169.300000113.3D93G91-D93 WeakPolarHBondContact CA-OD2 3.32Å
92L45.6Very low46.6Very low180 Ų180119.7 Ų119.794%0.94270%0.703SS**  trans-125.962.8169.2-93.6171.7000107.7
93D39.4Very low48.6Very low132 Ų132120 Ų12071%0.70669%0.689SS**  trans-150.4131-165.4-43.1-96.3000107.2G91G91-D93 WeakPolarHBondContact CA-OD2 3.32Å
94T54.2Low49.5Very low68 Ų68120 Ų12042%0.41768%0.676SS.*  cis-151.5121.1-5.6-17.20000110.1E97T94-E97 WeakPolarHBondContact O-CB 3.44Å; T94-E97 PolarHBondContact O-N 3.3Å; T94-E97 PolarHBondContact OG1-OE2 2.73Å
95L53.5Low51Low150 Ų150121.8 Ų121.879%0.78566%0.661SS**Hα-helixtrans-71.1-30.6177.1-95.7171.3000113.3E97 E98 E99L95-E97 PolarHBondContact O-N 3.12Å; L95-E98 PolarHBondContact O-N 3.46Å; L95-E99 PolarHBondContact O-N 2.94Å
96E55.9Low53.1Low147 Ų147120.7 Ų120.769%0.68764%0.644SS**Hα-helixtrans-63.4-31.5175.6-168.6164-157.400111.5E99 E100E96-E99 PolarHBondContact O-N 3.3Å; E96-E100 WeakPolarHBondContact O-CG 3.35Å; E96-E100 PolarHBondContact O-N 2.79Å
97E64.1Low54.8Low103 Ų103120.2 Ų120.248%0.48164%0.637SS.*Hα-helixtrans-73.5-27.9179.3-172.5-177.9172.100113T94 L95 K101T94-E97 WeakPolarHBondContact O-CB 3.44Å; T94-E97 PolarHBondContact O-N 3.3Å; T94-E97 PolarHBondContact OG1-OE2 2.73Å; L95-E97 PolarHBondContact O-N 3.12Å; E97-K101 WeakPolarHBondContact O-CB 3.19Å; E97-K101 PolarHBondContact O-N 2.77Å
98E59.5Low56.3Low131 Ų131116.6 Ų116.661%0.61262%0.62SS**Hα-helixtrans-71.9-37.1170-70.1-158.112800111.9L95 K101 A102L95-E98 PolarHBondContact O-N 3.46Å; E98-K101 WeakPolarHBondContact O-CB 3.11Å; E98-K101 PolarHBondContact O-N 2.86Å; E98-A102 WeakPolarHBondContact O-CB 3.36Å; E98-A102 PolarHBondContact O-N 3.49Å
99E67.9Low57.4Low105 Ų105118.2 Ų118.249%0.49162%0.617SS.*Hα-helixtrans-70.9-37.4174.7-143.6-156151.100111.8L95 E96 A102 R103L95-E99 PolarHBondContact O-N 2.94Å; E96-E99 PolarHBondContact O-N 3.3Å; E99-A102 PolarHBondContact O-N 3.28Å; E99-R103 WeakPolarHBondContact O-CB 3.49Å; E99-R103 WeakPolarHBondContact O-CD 3.37Å; E99-R103 VanDerWaalsContact O-CG 3.23Å; E99-R103 WeakPolarHBondContact O-CG 3.41Å; E99-R103 PolarHBondContact O-N 2.79Å; E99-R103 IonicContact OE1-CZ 2.64Å; E99-R103 VanDerWaalsContact OE1-CZ 3.24Å; E99-R103 IonicContact OE1-NE 2.91Å; E99-R103 PolarHBondContact OE1-NE 2.84Å; E99-R103 VanDerWaalsContact OE1-NE 3.15Å; E99-R103 IonicContact OE1-NH2 3.88Å; E99-R103 PolarHBondContact OE1-NH2 3.34Å; E99-R103 IonicContact OE2-CZ 2.64Å; E99-R103 IonicContact OE2-NH2 3.9Å; E99-R103 PolarHBondContact OE2-NH2 2.86Å
100E63.5Low58.8Low124 Ų124116.7 Ų116.758%0.57960%0.604SS**Hα-helixtrans-64.8-38.3170.7-70.6-152.9142.400112.3E96 R103 F104E96-E100 WeakPolarHBondContact O-CG 3.35Å; E96-E100 PolarHBondContact O-N 2.79Å; E100-R103 PolarHBondContact O-N 2.82Å; E100-F104 VanDerWaalsContact O-CB 3.26Å; E100-F104 WeakPolarHBondContact O-CB 3.25Å; E100-F104 PolarHBondContact O-N 2.87Å
101K69.5Low59.3Low114 Ų114110.2 Ų110.250%0.49659%0.587SS.*Hα-helixtrans-58.6-48.7169.5-103.3173.9179.6157.20112.2E97 E98 R103 F104 F105E97-K101 WeakPolarHBondContact O-CB 3.19Å; E97-K101 PolarHBondContact O-N 2.77Å; E98-K101 WeakPolarHBondContact O-CB 3.11Å; E98-K101 PolarHBondContact O-N 2.86Å; K101-R103 VanDerWaalsContact C-N 3.31Å; K101-R103 PolarHBondContact O-N 2.73Å; K101-F104 WeakPolarHBondContact O-CB 3.45Å; K101-F104 PolarHBondContact O-N 3.14Å; K101-F104 VanDerWaalsContact O-N 3.15Å; K101-F105 HydrophobicContact CG-CE2 4.26Å; K101-F105 WeakPolarHBondContact O-CD2 3.31Å; K101-F105 PolarHBondContact O-N 3.2Å
102A74.1Confident59.9Low59 Ų59112.2 Ų112.249%0.48859%0.587SS.*Hα-helixtrans-60.1-43.5-18000000111.3E98 E99 A106E98-A102 WeakPolarHBondContact O-CB 3.36Å; E98-A102 PolarHBondContact O-N 3.49Å; E99-A102 PolarHBondContact O-N 3.28Å; A102-A106 WeakPolarHBondContact O-CB 3.39Å; A102-A106 PolarHBondContact O-N 3.36Å
103R72.6Confident59.9Low141 Ų141108.2 Ų108.253%0.53257%0.574SS.*Hα-helixtrans-64.7-38.8174.2-67.3165.5-176.6179.72.2112.2E99 E100 K101 Q107E99-R103 WeakPolarHBondContact O-CB 3.49Å; E99-R103 WeakPolarHBondContact O-CD 3.37Å; E99-R103 VanDerWaalsContact O-CG 3.23Å; E99-R103 WeakPolarHBondContact O-CG 3.41Å; E99-R103 PolarHBondContact O-N 2.79Å; E99-R103 IonicContact OE1-CZ 2.64Å; E99-R103 VanDerWaalsContact OE1-CZ 3.24Å; E99-R103 IonicContact OE1-NE 2.91Å; E99-R103 PolarHBondContact OE1-NE 2.84Å; E99-R103 VanDerWaalsContact OE1-NE 3.15Å; E99-R103 IonicContact OE1-NH2 3.88Å; E99-R103 PolarHBondContact OE1-NH2 3.34Å; E99-R103 IonicContact OE2-CZ 2.64Å; E99-R103 IonicContact OE2-NH2 3.9Å; E99-R103 PolarHBondContact OE2-NH2 2.86Å; E100-R103 PolarHBondContact O-N 2.82Å; K101-R103 VanDerWaalsContact C-N 3.31Å; K101-R103 PolarHBondContact O-N 2.73Å; R103-Q107 WeakPolarHBondContact O-CB 3.4Å; R103-Q107 PolarHBondContact O-N 2.84Å
104F66.9Low60.1Low128 Ų128106.3 Ų106.356%0.56157%0.571SS**Hα-helixtrans-65.5-45.7177.3-178.5-97.7000112.5E100 K101 Q107 I108E100-F104 VanDerWaalsContact O-CB 3.26Å; E100-F104 WeakPolarHBondContact O-CB 3.25Å; E100-F104 PolarHBondContact O-N 2.87Å; K101-F104 WeakPolarHBondContact O-CB 3.45Å; K101-F104 PolarHBondContact O-N 3.14Å; K101-F104 VanDerWaalsContact O-N 3.15Å; F104-Q107 PolarHBondContact O-N 3.44Å; F104-I108 HydrophobicContact CD1-CD1 4.03Å; F104-I108 HydrophobicContact CE1-CD1 3.47Å; F104-I108 VanDerWaalsContact CE1-CD1 3.47Å; F104-I108 HydrophobicContact CE1-CG1 4.46Å; F104-I108 HydrophobicContact CZ-CD1 3.88Å; F104-I108 PolarHBondContact O-N 3.49Å
105F61.3Low59.9Low120 Ų120107.8 Ų107.853%0.52659%0.591SS.*Hα-helixtrans-66.8-43.8176.1-74.7-64.7000112.1K101 Q107 I108 E109K101-F105 HydrophobicContact CG-CE2 4.26Å; K101-F105 WeakPolarHBondContact O-CD2 3.31Å; K101-F105 PolarHBondContact O-N 3.2Å; F105-Q107 PolarHBondContact O-N 3.42Å; F105-I108 PolarHBondContact O-N 2.87Å; F105-E109 PolarHBondContact O-N 3.45Å
106A73.1Confident60Low52 Ų52106.2 Ų106.243%0.4358%0.582SS.*Hα-helixtrans-58-33.117300000112.5A102 A110A102-A106 WeakPolarHBondContact O-CB 3.39Å; A102-A106 PolarHBondContact O-N 3.36Å; A106-A110 VanDerWaalsContact O-CB 3.29Å; A106-A110 WeakPolarHBondContact O-CB 3.27Å; A106-A110 PolarHBondContact O-N 3.08Å
107Q64.6Low59.6Low153 Ų153104.1 Ų104.172%0.71558%0.575SS**Hα-helixtrans-77.5-25.2175.6-170.915113.300113.6R103 F104 F105 G111R103-Q107 WeakPolarHBondContact O-CB 3.4Å; R103-Q107 PolarHBondContact O-N 2.84Å; F104-Q107 PolarHBondContact O-N 3.44Å; F105-Q107 PolarHBondContact O-N 3.42Å; Q107-G111 PolarHBondContact O-N 2.81Å; Q107-G111 VanDerWaalsContact O-N 3.07Å
108I62.8Low59Low79 Ų79106.8 Ų106.841%0.40558%0.582SS.*Hα-helixtrans-71.3-44.5168-73.4177.1000110.5F104 F105 G111 T112F104-I108 HydrophobicContact CD1-CD1 4.03Å; F104-I108 HydrophobicContact CE1-CD1 3.47Å; F104-I108 VanDerWaalsContact CE1-CD1 3.47Å; F104-I108 HydrophobicContact CE1-CG1 4.46Å; F104-I108 HydrophobicContact CZ-CD1 3.88Å; F104-I108 PolarHBondContact O-N 3.49Å; F105-I108 PolarHBondContact O-N 2.87Å; I108-G111 CarbonylContact O-C 3.55Å; I108-G111 WeakPolarHBondContact O-CA 3.1Å; I108-G111 PolarHBondContact O-N 3.45Å; I108-G111 VanDerWaalsContact O-N 3.1Å; I108-T112 HydrophobicContact CG2-CG2 4.38Å; I108-T112 WeakPolarHBondContact O-CB 3.35Å; I108-T112 WeakPolarHBondContact O-CG2 3.36Å; I108-T112 PolarHBondContact O-N 3.48Å; I108-T112 PolarHBondContact O-OG1 2.84Å
109E61.2Low59.3Low135 Ų135104.3 Ų104.363%0.63158%0.579SS**Hα-helixtrans-63-46.8177.8-68.4179.7159.200111.6F105 G111 T112 S113F105-E109 PolarHBondContact O-N 3.45Å; E109-G111 PolarHBondContact O-N 2.92Å; E109-T112 WeakPolarHBondContact CA-OG1 3.25Å; E109-T112 PolarHBondContact O-N 3.22Å; E109-T112 PolarHBondContact O-OG1 2.87Å; E109-S113 PolarHBondContact O-N 3.48Å; E109-S113 VanDerWaalsContact O-N 3.12Å; E109-S113 PolarHBondContact O-OG 3.25Å
110A57.2Low58.7Low75 Ų75105.1 Ų105.162%0.6258%0.581SS**Hα-helixtrans-63.8-24.3172.100000113.9A106A106-A110 VanDerWaalsContact O-CB 3.29Å; A106-A110 WeakPolarHBondContact O-CB 3.27Å; A106-A110 PolarHBondContact O-N 3.08Å
111G46.5Very low58.2Low58 Ų58103.4 Ų103.460%0.59858%0.575SS**Hα-helixtrans-84.4-18.7175.900000114.5Q107 I108 E109Q107-G111 PolarHBondContact O-N 2.81Å; Q107-G111 VanDerWaalsContact O-N 3.07Å; I108-G111 CarbonylContact O-C 3.55Å; I108-G111 WeakPolarHBondContact O-CA 3.1Å; I108-G111 PolarHBondContact O-N 3.45Å; I108-G111 VanDerWaalsContact O-N 3.1Å; E109-G111 PolarHBondContact O-N 2.92Å
112T45.3Very low57.6Low103 Ų103102.5 Ų102.563%0.63258%0.576SS**Hα-helixtrans-107-15.3-174.746.70000113.7I108 E109 S114I108-T112 HydrophobicContact CG2-CG2 4.38Å; I108-T112 WeakPolarHBondContact O-CB 3.35Å; I108-T112 WeakPolarHBondContact O-CG2 3.36Å; I108-T112 PolarHBondContact O-N 3.48Å; I108-T112 PolarHBondContact O-OG1 2.84Å; E109-T112 WeakPolarHBondContact CA-OG1 3.25Å; E109-T112 PolarHBondContact O-N 3.22Å; E109-T112 PolarHBondContact O-OG1 2.87Å; T112-S114 PolarHBondContact O-N 2.85Å
113S44Very low57.1Low95 Ų95108.5 Ų108.566%0.66459%0.586SS**  trans-72.718.8174.1540000115.2E109 A115E109-S113 PolarHBondContact O-N 3.48Å; E109-S113 VanDerWaalsContact O-N 3.12Å; E109-S113 PolarHBondContact O-OG 3.25Å; S113-A115 PolarHBondContact O-N 3.35Å
114S44.9Very low56Low93 Ų93106.1 Ų106.165%0.6558%0.581SS**SBendtrans-88.496.6166.21740000109.4T112 I116T112-S114 PolarHBondContact O-N 2.85Å; S114-I116 PolarHBondContact O-N 2.82Å
115A49Very low55.2Low99 Ų99105.4 Ų105.482%0.81858%0.582SS**  trans-50.9120.8-177.700000112.4S113 D117S113-A115 PolarHBondContact O-N 3.35Å; A115-D117 PolarHBondContact O-N 3.33Å
116I55.3Low54.6Low116 Ų116106.3 Ų106.360%0.59559%0.593SS**  trans-78.1112.3179.3-63.5174.3000108.5S114 Y118S114-I116 PolarHBondContact O-N 2.82Å; I116-Y118 HydrophobicContact CB-CE2 4.38Å; I116-Y118 HydrophobicContact CG2-CD1 4.47Å; I116-Y118 HydrophobicContact CG2-CE1 4.26Å; I116-Y118 HydrophobicContact CG2-CE2 4.43Å; I116-Y118 WeakPolarHBondContact O-CD2 3.34Å; I116-Y118 WeakPolarHBondContact O-CE2 3.28Å; I116-Y118 PolarHBondContact O-N 2.88Å; I116-Y118 VanDerWaalsContact O-N 3.09Å
117D48.6Very low53.5Low103 Ų103108.3 Ų108.355%0.55160%0.604SS**  trans-77.592.5174.7-178.32.1000110.8A115 S119 K120A115-D117 PolarHBondContact O-N 3.33Å; D117-S119 VanDerWaalsContact CG-OG 3.26Å; D117-S119 PolarHBondContact O-N 2.93Å; D117-S119 VanDerWaalsContact O-N 3.16Å; D117-S119 VanDerWaalsContact OD1-CB 3.24Å; D117-S119 WeakPolarHBondContact OD1-CB 3.4Å; D117-S119 PolarHBondContact OD1-N 2.69Å; D117-S119 PolarHBondContact OD1-OG 2.75Å; D117-S119 PolarHBondContact OD2-OG 3.28Å; D117-K120 WeakPolarHBondContact O-CB 3.27Å; D117-K120 PolarHBondContact O-N 3.2Å; D117-K120 VanDerWaalsContact O-N 3.12Å
118Y52.1Low52.5Low159 Ų159105.5 Ų105.562%0.62460%0.601SS**Hα-helixtrans-58.9-21.7177.8-65.1-83000113.8I116 K120 L121 N122I116-Y118 HydrophobicContact CB-CE2 4.38Å; I116-Y118 HydrophobicContact CG2-CD1 4.47Å; I116-Y118 HydrophobicContact CG2-CE1 4.26Å; I116-Y118 HydrophobicContact CG2-CE2 4.43Å; I116-Y118 WeakPolarHBondContact O-CD2 3.34Å; I116-Y118 WeakPolarHBondContact O-CE2 3.28Å; I116-Y118 PolarHBondContact O-N 2.88Å; I116-Y118 VanDerWaalsContact O-N 3.09Å; Y118-K120 PolarHBondContact O-N 2.83Å; Y118-L121 PolarHBondContact O-N 3.18Å; Y118-N122 PolarHBondContact O-N 2.82Å; Y118-N122 VanDerWaalsContact O-N 3.14Å
119S65.1Low51.4Low80 Ų80113 Ų11356%0.55962%0.624SS**Hα-helixtrans-64.9-31.8176.778.60000112D117 R123D117-S119 VanDerWaalsContact CG-OG 3.26Å; D117-S119 PolarHBondContact O-N 2.93Å; D117-S119 VanDerWaalsContact O-N 3.16Å; D117-S119 VanDerWaalsContact OD1-CB 3.24Å; D117-S119 WeakPolarHBondContact OD1-CB 3.4Å; D117-S119 PolarHBondContact OD1-N 2.69Å; D117-S119 PolarHBondContact OD1-OG 2.75Å; D117-S119 PolarHBondContact OD2-OG 3.28Å; S119-R123 PolarHBondContact O-N 2.75Å
120K55.8Low50.4Low121 Ų121112 Ų11253%0.52663%0.632SS.*Hα-helixtrans-73.5-40.6175.7-165-178.1-178.5-105.70112D117 Y118 R123 E124D117-K120 WeakPolarHBondContact O-CB 3.27Å; D117-K120 PolarHBondContact O-N 3.2Å; D117-K120 VanDerWaalsContact O-N 3.12Å; Y118-K120 PolarHBondContact O-N 2.83Å; K120-R123 PolarHBondContact O-N 3.24Å; K120-E124 WeakPolarHBondContact CE-OE1 3.39Å; K120-E124 IonicContact NZ-OE1 2.63Å; K120-E124 PolarHBondContact NZ-OE1 3.45Å; K120-E124 PolarHBondContact O-N 2.85Å
121L52.8Low49.1Very low88 Ų88114.5 Ų114.546%0.46164%0.639SS.*Hα-helixtrans-67.1-40.7-177.3-164.270.7000112Y118 R123 E124 L125Y118-L121 PolarHBondContact O-N 3.18Å; L121-R123 VanDerWaalsContact C-N 3.33Å; L121-R123 PolarHBondContact O-N 3.46Å; L121-E124 PolarHBondContact O-N 2.8Å; L121-L125 PolarHBondContact O-N 2.67Å
122N55.9Low48.4Very low96 Ų96122.3 Ų122.351%0.51366%0.657SS.*Hα-helixtrans-61.2-42.2172.9-744.5000111.3Y118 E124 L125 D126Y118-N122 PolarHBondContact O-N 2.82Å; Y118-N122 VanDerWaalsContact O-N 3.14Å; N122-E124 VanDerWaalsContact C-N 3.28Å; N122-E124 PolarHBondContact O-N 2.84Å; N122-L125 WeakPolarHBondContact O-CB 3.47Å; N122-L125 PolarHBondContact O-N 3.08Å; N122-L125 VanDerWaalsContact O-N 3.16Å; N122-D126 PolarHBondContact O-N 3.45Å
123R64.6Low47.7Very low184 Ų184121.7 Ų121.769%0.69466%0.663SS**Hα-helixtrans-65.5-30178.6-149.2-175.380.7174.26.9113.3S119 K120 L121 S127S119-R123 PolarHBondContact O-N 2.75Å; K120-R123 PolarHBondContact O-N 3.24Å; L121-R123 VanDerWaalsContact C-N 3.33Å; L121-R123 PolarHBondContact O-N 3.46Å; R123-S127 WeakPolarHBondContact O-CB 3.48Å; R123-S127 PolarHBondContact O-N 3.16Å; R123-S127 PolarHBondContact O-OG 3.22Å
124E48.7Very low47Very low91 Ų91123.4 Ų123.443%0.42567%0.67SS.*Hα-helixtrans-77.2-32.8174.2-72173.2-170.100111.8K120 L121 N122 S128K120-E124 WeakPolarHBondContact CE-OE1 3.39Å; K120-E124 IonicContact NZ-OE1 2.63Å; K120-E124 PolarHBondContact NZ-OE1 3.45Å; K120-E124 PolarHBondContact O-N 2.85Å; L121-E124 PolarHBondContact O-N 2.8Å; N122-E124 VanDerWaalsContact C-N 3.28Å; N122-E124 PolarHBondContact O-N 2.84Å; E124-S128 WeakPolarHBondContact O-CB 3.42Å; E124-S128 PolarHBondContact O-N 2.89Å; E124-S128 PolarHBondContact O-OG 3.13Å
125L50.2Low46.3Very low113 Ų113128.5 Ų128.559%0.59268%0.683SS**Hα-helixtrans-66.8-48.5171.5-83.4163.1000112.8L121 N122 S127 S128L121-L125 PolarHBondContact O-N 2.67Å; N122-L125 WeakPolarHBondContact O-CB 3.47Å; N122-L125 PolarHBondContact O-N 3.08Å; N122-L125 VanDerWaalsContact O-N 3.16Å; L125-S127 PolarHBondContact O-N 2.89Å; L125-S128 PolarHBondContact O-N 3.1Å
126D48.9Very low45.5Very low140 Ų140130.7 Ų130.775%0.74968%0.68SS**Hα-helixtrans-62.1-31176.9-70.1-32000111.9N122 S128N122-D126 PolarHBondContact O-N 3.45Å; D126-S128 VanDerWaalsContact C-N 3.27Å; D126-S128 PolarHBondContact O-N 2.97Å
127S50.7Low44.3Very low94 Ų94136.4 Ų136.466%0.65769%0.694SS**THydrogen-bonded Turntrans-74.6-12175.3-58.80000114.1R123 L125R123-S127 WeakPolarHBondContact O-CB 3.48Å; R123-S127 PolarHBondContact O-N 3.16Å; R123-S127 PolarHBondContact O-OG 3.22Å; L125-S127 PolarHBondContact O-N 2.89Å
128S42.7Very low43.5Very low94 Ų94140.6 Ų140.666%0.65771%0.708SS**THydrogen-bonded Turntrans-101.64.7-169.1-64.30000115E124 L125 D126E124-S128 WeakPolarHBondContact O-CB 3.42Å; E124-S128 PolarHBondContact O-N 2.89Å; E124-S128 PolarHBondContact O-OG 3.13Å; L125-S128 PolarHBondContact O-N 3.1Å; D126-S128 VanDerWaalsContact C-N 3.27Å; D126-S128 PolarHBondContact O-N 2.97Å
129R40.3Very low42.5Very low237 Ų237141.4 Ų141.489%0.89472%0.717SS**SBendtrans-116.141.1-176.1-154.9-172.5174.3179.5-2.4114.7
130S39.3Very low40.9Very low112 Ų112145 Ų14578%0.78373%0.73SS**  trans-153.457.1173.3-168.30000116.2
131T30.9Very low39.5Very low128 Ų128142.6 Ų142.679%0.78574%0.739SS**  trans-147.285.2163.4510000112.3
132F31.7Very low39Very low222 Ų222144.3 Ų144.397%0.97476%0.756SS**SBendtrans-171.563.7147.8-109.5-63.1000112.1
133A29.8Very low37.7Very low90 Ų90144.1 Ų144.174%0.74477%0.767SS**SBendtrans-153.5139.9164.300000110.8
134T30.6Very low36.1Very low132 Ų132142.3 Ų142.381%0.8178%0.776SS**  trans61.977.6163.4-33.20000117.7
135E28.8Very low35Very low199 Ų199146.1 Ų146.193%0.9379%0.794SS**  trans-83.1103.9153.4178.5176.8-150.400109.4
136L32.5Very low35Very low145 Ų145145.7 Ų145.776%0.75980%0.798SS**  trans-164.6121.6164.7-115.3166.4000113.4
137R29.8Very low33.9Very low236 Ų236144.2 Ų144.289%0.89180%0.799SS**  trans61.3130.5170.6-72.6-172.8178-177.2-0.4119.4
138K31.9Very low32.7Very low192 Ų192143.9 Ų143.984%0.83580%0.802SS**  trans-83.2158.6152.9-54.4168.5-178175.60108.3
139E31Very low31.8Very low175 Ų175144.3 Ų144.382%0.81881%0.811SS**  -173144.499.7-68.9-132.8125.400109.7
140D31.6Very low31.2Very low157 Ų157137.1 Ų137.184%0.8480%0.803SS**  trans45.1160157.6-62.92.1000123.9
141G27.7Very low30.5Very low69 Ų69141.1 Ų141.171%0.71181%0.809SS**  trans-133.7-151.3173.400000110.6
142P42.3Very low30.4Very low124 Ų124138.6 Ų138.681%0.80580%0.801SS**  cis-136.2169.5-0.842.2-26.2000116.3
143A27Very low30.3Very low92 Ų92135.2 Ų135.276%0.7680%0.798SS**  trans72166.6150.400000121.7
144V31Very low30.4Very low146 Ų146133.9 Ų133.989%0.88579%0.793SS**  trans91.9135.5166.1-171.70000118
145E26.6Very low30.3Very low171 Ų171136.8 Ų136.880%0.79980%0.798SS**  trans-104.3178.4176.6-97.4-165.2-139.700110.6
146P50.3Low30.4Very low104 Ų104132.8 Ų132.868%0.67579%0.791SS**  cis-135.8-171.8-3637.7-20.6000112.2
147S25.8Very low30.2Very low110 Ų110131.4 Ų131.477%0.76979%0.794SS**  trans76.3127.1148.7-158.20000121.6
148A25.5Very low30.2Very low87 Ų87124.7 Ų124.772%0.71979%0.789SS**  trans54.6128.7142.700000123.1
149A24.3Very low29.9Very low103 Ų103126.7 Ų126.785%0.85179%0.793SS**  trans65.6154.9146.900000118.6
150A26.3Very low29.8Very low86 Ų86123.8 Ų123.871%0.71179%0.792SS**  cis-165.8167.9-25.800000107.6
151E25.9Very low29.4Very low196 Ų196119.6 Ų119.692%0.91679%0.786SS**  trans65.4157.8165.4-78.5-178.6-162.100116.8
152A29.2Very low29.3Very low74 Ų74123.8 Ų123.861%0.61279%0.792SS**  cis-159.1156.6-10.700000111.4
153V29.6Very low29.5Very low151 Ų151122 Ų12292%0.91578%0.781SS**  trans61.8133.21521720000118.3
154G29.9Very low29.4Very low63 Ų63125.9 Ų125.965%0.64978%0.783SS**  cis167-177.8-4.800000113.3
155E29.1Very low29Very low193 Ų193126.6 Ų126.690%0.90278%0.782SS**  trans65.7135.8169.4-58.9-174.1162.500118
156S31.1Very low29Very low114 Ų114123.4 Ų123.480%0.79778%0.778SS**  cis-161.3153.2-1357.10000111.6
157S29.5Very low27.9Very low116 Ų116127.1 Ų127.181%0.81179%0.787SS**SBendtrans152.2136.9143.2-171.60000111.9
158A28.6Very low28Very low96 Ų96129.9 Ų129.979%0.79379%0.788SS**  trans52117172.300000117.9
159Y26.4Very low28.2Very low233 Ų233133.8 Ų133.891%0.91479%0.789SS**  trans-147.2163.5-177.3-151.1-94.7000113.1
160S27.3Very low28.7Very low114 Ų114136 Ų13680%0.79778%0.781SS**  trans87.8139.5165.1-134.60000117.3
161G23.4Very low28.9Very low69 Ų69139 Ų13971%0.71179%0.785SS**  cis-163.4-168.4900000116.7
162N26Very low29.2Very low157 Ų157138 Ų13884%0.8478%0.781SS**  trans-104.9-150.5-175.2-157.419.4000109.5
163P46.9Very low29.3Very low87 Ų87137.6 Ų137.657%0.56578%0.784SS**  -123.3-169.7-120.238.8-20000116.2
164Q24.9Very low29.2Very low173 Ų173133.6 Ų133.681%0.80877%0.773SS**  trans97.4127.1158.7-63.7171.9-92.500120.4
165N22.7Very low29.3Very low162 Ų162133.8 Ų133.887%0.86676%0.758SS**  trans8.6116.1151.9-50.92.7000122
166S25.9Very low29.5Very low103 Ų103127.8 Ų127.872%0.7273%0.73SS**  -162.1150126.467.50000106.4
167E27Very low29.3Very low183 Ų183127.1 Ų127.186%0.85571%0.714SS**  51.3128.265.1-63.3174150.600111
168E27.7Very low29.3Very low168 Ų168125.7 Ų125.779%0.78570%0.704SS**  cis-166.3149.748.7-172.8175.5-162.300113.2
169F29.7Very low29.1Very low169 Ų169128 Ų12874%0.74170%0.698SS**  trans57.6160.3154.5-86.5-127.9000122.7
170E35Very low29.4Very low150 Ų150123 Ų12370%0.70169%0.692SS**  cis-165.1-159.2-39.5-136.6177.2-141.200111
171D31.8Very low29.6Very low148 Ų148126.9 Ų126.979%0.79169%0.694SS**  trans66.6140-176.4-74.8-12.8000117.8
172E31.6Very low29.7Very low175 Ų175130.1 Ų130.182%0.81870%0.695SS**  cis-143.2165-6-123.3-88.4-134.500109.1
173G31.1Very low29.6Very low66 Ų66126.9 Ų126.968%0.6869%0.685SS**  trans-87.8176.9-165.800000117
174G28.3Very low29Very low67 Ų67132.1 Ų132.169%0.69170%0.699SS**  cis162.2-175.1-300000112.5
175I32Very low29.1Very low66 Ų66132.1 Ų132.134%0.33870%0.704SS.*  trans65.9104.4166.7-69.7175000114.9Q1177 V1180I175-Q1177 HydrophobicContact CD1-CG 4.03Å; I175-Q1177 HydrophobicContact CG1-CB 4.45Å; I175-Q1177 HydrophobicContact CG1-CG 4.09Å; I175-Q1177 HydrophobicContact CG2-CG 4.18Å; I175-V1180 HydrophobicContact CD1-CB 3.89Å; I175-V1180 HydrophobicContact CD1-CG1 3.55Å
176K31.8Very low29.5Very low68 Ų68129.5 Ų129.530%0.29670%0.698SS.*  64.5135.873.3-65.3-115.8-64.3163.40112.7T1173K176-T1173 VanDerWaalsContact CE-C 3.44Å; K176-T1173 WeakPolarHBondContact CE-O 3.33Å; K176-T1173 WeakPolarHBondContact CE-OG1 3.14Å; K176-T1173 PolarHBondContact NZ-O 2.72Å; K176-T1173 PolarHBondContact NZ-OG1 3.43Å
177E28.6Very low30.3Very low100 Ų100130.3 Ų130.347%0.46770%0.701SS.*  cis-162.9164.6-1.8-132.9168.6-161.300106.3
178S28.7Very low30.4Very low86 Ų86126 Ų12660%0.60170%0.697SS**  cis-146.1142.415.4-63.10000113.6
179Q23.8Very low30.5Very low143 Ų143126.4 Ų126.467%0.66870%0.704SS**  trans51.270.3134-56.5176.817.400119.7
180T33.9Very low30.4Very low129 Ų129122.3 Ų122.379%0.79170%0.701SS**  trans-132.3121134.938.20000109.2
181K29.7Very low30.1Very low195 Ų195127.5 Ų127.585%0.84871%0.714SS**  trans170.7156.3167.9-96.4143.8-169.4177.10110.1
182N26.8Very low29.8Very low137 Ų137124.3 Ų124.373%0.73372%0.717SS**  cis-169.3157.8-36.7-114.90.5000110.7
183S24.7Very low29.8Very low90 Ų90124.8 Ų124.863%0.62972%0.719SS**  trans40.6122.1147.266.30000122.4
184K34Very low29.9Very low196 Ų196128.4 Ų128.485%0.85272%0.722SS**  52127.1126.8-56.8175.9179.6179.20119.5
185L26Very low29.9Very low173 Ų173135.7 Ų135.791%0.90673%0.73SS**  -174.5154103.9-96.7167.3000112.7
186S30.8Very low29.8Very low108 Ų108136.5 Ų136.576%0.75575%0.747SS**  trans-99.7176.9168.5-49.20000109
187P43.3Very low29.9Very low119 Ų119142.2 Ų142.277%0.77378%0.775SS**  cis-144.9165.912.742.9-23000119.5
188A29.8Very low30.2Very low94 Ų94143.2 Ų143.278%0.77779%0.793SS**  trans27.5132.5143.700000124.2
189L28.5Very low30.9Very low176 Ų176143 Ų14392%0.92180%0.803SS**  -154.9149.3127.4-145.275.5000114.8
190A28.8Very low32.1Very low83 Ų83139.7 Ų139.769%0.68681%0.808SS**  trans65.189.2150.200000123.3
191R28.8Very low33.2Very low258 Ų258136.6 Ų136.697%0.97479%0.792SS**  36.6122.4127.2-76.2-179.5168.9172.7-3121.5
192G25.2Very low34.1Very low82 Ų82134.5 Ų134.585%0.84579%0.79SS**  trans-157.7143.4155.900000113
193Q31.6Very low35.5Very low185 Ų185133.5 Ų133.586%0.86479%0.789SS**  trans-85.5163.8178.4-70.7171.4-19.200111.3
194L33.4Very low37Very low142 Ų142135.1 Ų135.174%0.74379%0.786SS**  cis-164.8145.4-13-107.9166.6000109.7
195Y28.9Very low38.4Very low219 Ų219128.6 Ų128.686%0.85977%0.769SS**  trans5398.4133.4-150.5-93.9000121.9
196A29.3Very low40Very low84 Ų84126.3 Ų126.369%0.69476%0.757SS**  trans-179.1144.5132.600000112.5
197Q33.1Very low40.9Very low188 Ų188127 Ų12788%0.87975%0.748SS**  trans64.2142.4173.1-56.5173-300114.1
198S34.7Very low41.6Very low121 Ų121125.9 Ų125.985%0.84673%0.733SS**  cis-134.9156.121.9-173.50000111.9
199G43.5Very low42.9Very low80 Ų80123.4 Ų123.483%0.82571%0.712SS**  trans-116.6113.8175.400000111.8
200G50.3Low43.7Very low75 Ų75122.6 Ų122.677%0.77370%0.698SS**  trans14296170.500000113.8
201S55.9Low45.1Very low64 Ų64126.1 Ų126.145%0.44869%0.693SS.*  trans-157.737.4169.1-157.70000113.9E204 A205S201-E204 WeakPolarHBondContact OG-CB 3.41Å; S201-E204 PolarHBondContact OG-OE2 2.9Å; S201-A205 WeakPolarHBondContact O-CB 3.44Å; S201-A205 PolarHBondContact O-N 3.02Å
202D49.8Very low45.9Very low150 Ų150121.2 Ų121.280%0.80268%0.682SS**Hα-helixtrans-79.2-36.7169.5-69.5-22.2000111.7L206D202-L206 PolarHBondContact O-N 3.34Å
203V54.5Low46.7Very low117 Ų117123.2 Ų123.271%0.70967%0.672SS**Hα-helixtrans-71.4-37.5177.4171.20000111.5L206 Q207V203-L206 PolarHBondContact O-N 3.07Å; V203-Q207 WeakPolarHBondContact O-CB 3.27Å; V203-Q207 PolarHBondContact O-N 3.45Å
204E56.3Low47Very low123 Ų123121.2 Ų121.258%0.57566%0.662SS**Hα-helixtrans-67.6-45.5178.8-126.6174.8178.700111.1S201 L206 Q207 E208S201-E204 WeakPolarHBondContact OG-CB 3.41Å; S201-E204 PolarHBondContact OG-OE2 2.9Å; E204-L206 VanDerWaalsContact C-N 3.26Å; E204-L206 PolarHBondContact O-N 3.43Å; E204-Q207 CarbonylContact O-C 3.59Å; E204-Q207 PolarHBondContact O-N 3.02Å; E204-Q207 VanDerWaalsContact O-N 3.09Å; E204-E208 WeakPolarHBondContact O-CB 3.16Å; E204-E208 PolarHBondContact O-N 2.92Å
205A65.2Low47.1Very low59 Ų59119.4 Ų119.449%0.48866%0.661SS.*Hα-helixtrans-56.6-39.5174.400000112.5S201 A209S201-A205 WeakPolarHBondContact O-CB 3.44Å; S201-A205 PolarHBondContact O-N 3.02Å; A205-A209 WeakPolarHBondContact O-CB 3.3Å; A205-A209 PolarHBondContact O-N 3.47Å
206L59.6Low47.3Very low126 Ų126116.2 Ų116.266%0.6666%0.664SS**Hα-helixtrans-69.2-37.7176.4-153.478.3000112.4D202 V203 E204 Y210D202-L206 PolarHBondContact O-N 3.34Å; V203-L206 PolarHBondContact O-N 3.07Å; E204-L206 VanDerWaalsContact C-N 3.26Å; E204-L206 PolarHBondContact O-N 3.43Å; L206-Y210 PolarHBondContact O-N 3.33Å; L206-Y210 VanDerWaalsContact O-N 3.13Å
207Q48.3Very low47.4Very low122 Ų122121.8 Ų121.857%0.5768%0.676SS**Hα-helixtrans-73.9-31.7177.5-167.317113.700112.4V203 E204 R211V203-Q207 WeakPolarHBondContact O-CB 3.27Å; V203-Q207 PolarHBondContact O-N 3.45Å; E204-Q207 CarbonylContact O-C 3.59Å; E204-Q207 PolarHBondContact O-N 3.02Å; E204-Q207 VanDerWaalsContact O-N 3.09Å; Q207-R211 PolarHBondContact O-N 2.89Å
208E57.5Low47.1Very low96 Ų96116 Ų11645%0.44967%0.667SS.*Hα-helixtrans-70-44.7173.5-174.4125-98.100111.4E204 Y210 R211 Q212E204-E208 WeakPolarHBondContact O-CB 3.16Å; E204-E208 PolarHBondContact O-N 2.92Å; E208-Y210 VanDerWaalsContact C-N 3.29Å; E208-Y210 PolarHBondContact O-N 3.48Å; E208-R211 WeakPolarHBondContact O-CB 3.39Å; E208-R211 PolarHBondContact O-N 2.91Å; E208-R211 VanDerWaalsContact O-N 3.1Å; E208-R211 IonicContact OE1-CZ 2.7Å; E208-R211 IonicContact OE1-NE 2.64Å; E208-R211 IonicContact OE1-NH2 3.3Å; E208-R211 PolarHBondContact OE1-NH2 3.42Å; E208-Q212 PolarHBondContact O-N 2.98Å
209A58.4Low46.8Very low42 Ų42115.7 Ų115.735%0.34766%0.663SS.*Hα-helixtrans-58.1-40.7171.900000112A205 R211 Q212A205-A209 WeakPolarHBondContact O-CB 3.3Å; A205-A209 PolarHBondContact O-N 3.47Å; A209-R211 VanDerWaalsContact C-N 3.27Å; A209-R211 PolarHBondContact O-N 3.09Å; A209-Q212 PolarHBondContact O-N 3.32Å; A209-Q212 VanDerWaalsContact O-N 3.11Å
210Y45.8Very low46.1Very low159 Ų159119 Ų11962%0.62466%0.662SS**Hα-helixtrans-65.2-26.2176.7-117.1-86.7000114L206 E208L206-Y210 PolarHBondContact O-N 3.33Å; L206-Y210 VanDerWaalsContact O-N 3.13Å; E208-Y210 VanDerWaalsContact C-N 3.29Å; E208-Y210 PolarHBondContact O-N 3.48Å
211R56.6Low45Very low156 Ų156118.3 Ų118.359%0.58966%0.655SS**Hα-helixtrans-71.4-32.4172.1-71-168.8-71-114.65.8112.5Q207 E208 A209 I213Q207-R211 PolarHBondContact O-N 2.89Å; E208-R211 WeakPolarHBondContact O-CB 3.39Å; E208-R211 PolarHBondContact O-N 2.91Å; E208-R211 VanDerWaalsContact O-N 3.1Å; E208-R211 IonicContact OE1-CZ 2.7Å; E208-R211 IonicContact OE1-NE 2.64Å; E208-R211 IonicContact OE1-NH2 3.3Å; E208-R211 PolarHBondContact OE1-NH2 3.42Å; A209-R211 VanDerWaalsContact C-N 3.27Å; A209-R211 PolarHBondContact O-N 3.09Å; R211-I213 VanDerWaalsContact C-N 3.32Å; R211-I213 PolarHBondContact O-N 3.06Å
212Q46.4Very low43.7Very low156 Ų156124.1 Ų124.173%0.72968%0.675SS**Hα-helixtrans-77.3-14.7-174.3-67.6177.1-1.300113.9E208 A209E208-Q212 PolarHBondContact O-N 2.98Å; A209-Q212 PolarHBondContact O-N 3.32Å; A209-Q212 VanDerWaalsContact O-N 3.11Å
213I42.3Very low42.6Very low124 Ų124127.8 Ų127.864%0.63668%0.677SS**THydrogen-bonded Turntrans-94.2-15.6-173.9-65.7169.4000113R211R211-I213 VanDerWaalsContact C-N 3.32Å; R211-I213 PolarHBondContact O-N 3.06Å
214H37.4Very low41.2Very low143 Ų143126.7 Ų126.766%0.66267%0.674SS**SBendtrans-114.350-174.6-74-50.3000113.9
215S36Very low39.8Very low104 Ų104128.2 Ų128.273%0.72769%0.685SS**  trans-153.180.5171.9-76.10000113.8
216V33.3Very low38.8Very low151 Ų151130.2 Ų130.292%0.91569%0.693SS**  168119.2127.2156.20000108.1
217E30.9Very low37.2Very low202 Ų202131 Ų13194%0.94470%0.697SS**  trans-150.8125.7176-170.8171.5-139.200109.8
218G26.8Very low36.4Very low67 Ų67133.2 Ų133.269%0.69171%0.708SS**  trans112.7112165.800000118.4
219C28.7Very low34.9Very low114 Ų114136 Ų13677%0.7773%0.726SS**  trans57.8150144.5-67.60000120.4
220D27.3Very low33.6Very low149 Ų149142.6 Ų142.680%0.79775%0.749SS**  cis-151.5158.8-14.8-88.4-28.3000104.1
221G27.6Very low32.8Very low61 Ų61138.9 Ų138.963%0.62976%0.76SS**  cis122134.943.100000109.3
222H28.2Very low31.6Very low186 Ų186141.6 Ų141.686%0.86177%0.77SS**  trans93.884.9167.4-49.5-61.7000123
223R27.1Very low30.8Very low227 Ų227139.7 Ų139.786%0.85777%0.769SS**  73.5100.3101.5-157.4173.9-157.3-129.42.5122.5
224C24.7Very low30Very low94 Ų94141.1 Ų141.164%0.63578%0.778SS**  92.5122.6125.3-75.40000125.8
225L27Very low29.5Very low154 Ų154145 Ų14581%0.80679%0.787SS**  77.5163.6125.3-64.8173.5000120.9
226P44.3Very low30.3Very low101 Ų101144.7 Ų144.766%0.65678%0.782SS**  cis-141.2-141.9-48.139.7-18.8000113.6
227L26.5Very low29.9Very low142 Ų142144 Ų14474%0.74378%0.778SS**  trans81.7140174-85.764.7000117.4
228E31Very low29.9Very low170 Ų170139.6 Ų139.679%0.79477%0.77SS**  cis-143.4178.3-24.2-65.2-152.9122.500107.2
229D27.3Very low31Very low155 Ų155142 Ų14283%0.82977%0.773SS**  cis-168.116941.5-172.115.9000112.2
230E31.1Very low30.8Very low179 Ų179142.1 Ų142.184%0.83678%0.775SS**  trans-105.6156.7180-75.7-160.2109.500114.4
231G28.5Very low30.6Very low82 Ų82143 Ų14385%0.84578%0.779SS**  trans-163.7123.2170.600000114.9
232R32.2Very low31.8Very low213 Ų213144.7 Ų144.780%0.80478%0.779SS**  trans-107.3153.8-168.9-78.6175.4155-112.31.8115.6
233T28.3Very low31.8Very low116 Ų116144.7 Ų144.771%0.71278%0.779SS**  trans65.1150.5148.943.20000118.1
234D26.6Very low32.1Very low153 Ų153142 Ų14282%0.81878%0.776SS**  cis-153.8-157.326.6-137.6-40.1000114.8
235R26.6Very low32.4Very low225 Ų225141.1 Ų141.185%0.84978%0.776SS**  trans-124.2-156.9-159.7-151-164.2168-176.8-3.1116.5
236P52.2Low32.7Very low97 Ų97142 Ų14263%0.6378%0.776SS**  -111.8-177.5-113.339.4-22.7000118.6
237V25.6Very low32.3Very low138 Ų138144 Ų14484%0.83678%0.776SS**  trans162.7155130.8158.20000115
238S29.5Very low32.3Very low109 Ų109143.2 Ų143.276%0.76278%0.777SS**  trans-85.2-152.7-177.7-32.10000114
239P50.5Low32.4Very low117 Ų117142.4 Ų142.476%0.7678%0.777SS**  cis-141-172-4.644.5-25.9000116.7
240S24.4Very low32.7Very low117 Ų117142.1 Ų142.182%0.81877%0.771SS**  176.7159.3128.443.10000116.6
241L24.1Very low33.4Very low167 Ų167139.1 Ų139.187%0.87477%0.767SS**  trans-140-165.1171.3-130.784.5000106
242P51.5Low33.5Very low96 Ų96144.5 Ų144.562%0.62377%0.768SS**  cis-136.5-173.8-10.438.8-18.8000115.1
243Q29.4Very low33.5Very low187 Ų187138.8 Ų138.887%0.87476%0.761SS**  174.5168.8120.8-90.6-173.27.500114.6
244H32.7Very low33.6Very low170 Ų170139.8 Ų139.879%0.78777%0.766SS**  trans-111.5-175.7-163.2-72.9-100.7000114.4Q247H244-Q247 PolarHBondContact ND1-OE1 3.25Å
245A31.1Very low34.1Very low76 Ų76137 Ų13763%0.62876%0.759SS**  cis-154.1-173.112.100000110.1
246Q32.4Very low34.3Very low173 Ų173133.3 Ų133.381%0.80876%0.756SS**  cis-146164.67.3-58.6178.45.300109.2
247Q37.1Very low33.5Very low143 Ų143133.8 Ų133.867%0.66876%0.762SS**  cis111.959.3-1.6-60.1166.6-116.100119.8H244H244-Q247 PolarHBondContact ND1-OE1 3.25Å
248T26.5Very low34Very low125 Ų125134.6 Ų134.677%0.76776%0.762SS**  trans-132.3106163.7-60.80000115.2
249L33.1Very low34.7Very low152 Ų152137.1 Ų137.180%0.79677%0.766SS**  trans30.8149.7141.2-45.4179.5000122.4
250Q32.8Very low34.4Very low149 Ų149137.5 Ų137.570%0.69677%0.768SS**  cis-179.2172.6-7.3-97.5-88.1-14.400106.7
251P45.3Very low35.2Very low116 Ų116138.6 Ų138.675%0.75377%0.77SS**  cis-134.1-165.3-1.243.3-23.6000117
252F32.3Very low36.3Very low195 Ų195135.2 Ų135.286%0.85577%0.766SS**  trans-56.1154.2-176.9-100.7-118.9000120.6
253S31Very low35.8Very low94 Ų94139.8 Ų139.866%0.65778%0.779SS**  176.5134.2101.5-162.20000117
254T31.7Very low36.2Very low136 Ų136140.2 Ų140.283%0.83478%0.781SS**  trans52.7165.3146.649.80000123.9
255S36Very low36.6Very low96 Ų96140.5 Ų140.567%0.67179%0.788SS**  trans-132.7173.9-164.954.90000115.7
256D31.8Very low36.9Very low147 Ų147144.5 Ų144.579%0.78680%0.795SS**  trans89.5151.5152.4-57.4-52.9000122.9
257S35.3Very low37.3Very low107 Ų107147.7 Ų147.775%0.74880%0.8SS**  trans80.998.7169.262.50000121.6
258D35.9Very low37.5Very low155 Ų155146.6 Ų146.683%0.82981%0.805SS**  47.1115.4124.4-54.5-30.9000123.6
259L42.9Very low37.7Very low161 Ų161147.6 Ų147.684%0.84381%0.805SS**  trans15.2141.5137.7-61.4173.5000120.4
260P44.5Very low37.7Very low126 Ų126149.8 Ų149.882%0.81880%0.802SS**  -134.2169.497.939.4-32.1000116.9
261T41.8Very low37.7Very low140 Ų140147.2 Ų147.286%0.85981%0.806SS**  trans-50.6153.9-177.9-52.30000116.8
262A46.5Very low37.1Very low95 Ų95148.2 Ų148.279%0.78580%0.801SS**  trans-62.8129.517800000115.6
263E41.5Very low37.2Very low193 Ų193145.8 Ų145.890%0.90280%0.797SS**  trans-148.6-8.7152.2-136.4172.1-168.400115.2
264E37.3Very low37.3Very low195 Ų195149.1 Ų149.191%0.91180%0.802SS**  trans-102.24.4-166.4-77.3-162.613100118.5M266E264-M266 VanDerWaalsContact C-N 3.27Å; E264-M266 PolarHBondContact O-N 3.35Å
265L42Very low37.3Very low177 Ų177150.7 Ų150.793%0.92780%0.803SS**SBendtrans-783.4-178.3-75.8178.3000115.8
266M37.8Very low37.1Very low160 Ų160156.9 Ų156.979%0.78881%0.812SS**SBendtrans-141.663.4-165.6-85.2-76.6-79.700115.8E264E264-M266 VanDerWaalsContact C-N 3.27Å; E264-M266 PolarHBondContact O-N 3.35Å
267R39.8Very low36.9Very low239 Ų239152.8 Ų152.890%0.90281%0.805SS**  trans-176.5169.4139.8-104.8169.1-69.5176.92.5114
268P41.7Very low36.4Very low120 Ų120156.5 Ų156.578%0.77981%0.808SS**  -122.2-177-122.541.6-25.4000115.4
269I31.6Very low36.1Very low147 Ų147154.9 Ų154.975%0.75480%0.804SS**  trans-78.4124.3-173.6-62.1175000112.6
270R31.6Very low35.4Very low198 Ų198154.6 Ų154.675%0.74780%0.802SS**  trans60.8125.2161.7-73.3-171.3-176.21014.2119.9E272R270-E272 IonicContact NE-OE1 2.66Å
271A32.4Very low35.6Very low95 Ų95153.4 Ų153.479%0.78579%0.794SS**  -151151.192.400000111
272E33.5Very low35Very low137 Ų137153.1 Ų153.164%0.6479%0.792SS**  trans-80.4148-177.5-67.878177.200112.9R270R270-E272 IonicContact NE-OE1 2.66Å
273D34.9Very low34.3Very low144 Ų144152.8 Ų152.877%0.7778%0.784SS**  -179.8172.998.2-126.7-43000115
274H32.6Very low34.2Very low164 Ų164150.3 Ų150.376%0.75977%0.772SS**  trans-79.8152.3-165.3-5973.2000116.8
275I31.3Very low34Very low168 Ų168147.9 Ų147.986%0.86276%0.761SS**  -179.8131109.7-89.2158.5000115.2
276R32Very low33.6Very low226 Ų226146.4 Ų146.485%0.85375%0.753SS**  trans-52149.1170.6163.3-161.7-62-115.5-2.1117.5
277G27.2Very low33.1Very low62 Ų62149.7 Ų149.764%0.63976%0.757SS**  trans178.598.4154.500000119.9
278F24.9Very low32.5Very low185 Ų185145.8 Ų145.881%0.81175%0.751SS**  trans43.1124.5151.3-59.7-81.8000121.4
279T29.4Very low32Very low121 Ų121149 Ų14974%0.74275%0.753SS**  cis103.5139.214.8-47.10000116.1
280L28.7Very low33Very low154 Ų154147.2 Ų147.281%0.80675%0.751SS**  trans107.7151.6163.1-58.9176.6000117.7
281P50Low32.7Very low101 Ų101149.3 Ų149.366%0.65676%0.759SS**  cis-148.5172.5-47.842.6-25.8000117.5
282V27.3Very low32.3Very low135 Ų135151.3 Ų151.382%0.81876%0.761SS**  trans68.6138.8140.5154.80000119
283S33.5Very low32.2Very low87 Ų87151 Ų15161%0.60877%0.769SS**  cis-176.7176.2-0.6-990000109.9
284Q37.7Very low32.3Very low142 Ų142149.7 Ų149.766%0.66477%0.768SS**  cis173.7137.1-21.6173.8178.5-1900112.2
285E34.3Very low32.3Very low143 Ų143147 Ų14767%0.66877%0.768SS**  trans62.6168.3157.3-73.7-176.3107.400122
286L34.3Very low32.3Very low147 Ų147147 Ų14777%0.7776%0.764SS**  cis-173.6164.8-47.1-110.4-176.8000111
287R27.1Very low32.2Very low229 Ų229143.1 Ų143.186%0.86476%0.759SS**  trans105.4168.9159.7-56.9-166.6-179.2162.44.9120.5
288M27.4Very low32.3Very low157 Ų157146.4 Ų146.477%0.77376%0.762SS**  trans-136.8154.1-155.4-40.5-169.6-6400116.2
289F29.9Very low32.5Very low187 Ų187143.3 Ų143.382%0.8275%0.753SS**  trans56.3167.6149.7-68.9-53.8000120.3
290P52.6Low32.3Very low109 Ų109146.6 Ų146.671%0.70876%0.757SS**  cis-133.3167.6-14.338.5-20.8000117.4
291R24.9Very low32.4Very low242 Ų242147.9 Ų147.991%0.91376%0.759SS**  trans29.9113.5137.7-170.2-167.5-166.1179.26.4122.4
292V25.1Very low31.9Very low138 Ų138149.2 Ų149.284%0.83677%0.768SS**  trans-149.5150.4146.9176.20000110.7
293T30.2Very low31.8Very low130 Ų130146.1 Ų146.180%0.79876%0.763SS**  trans-129.8152.5166.652.10000110.2
294P38.5Very low31.6Very low117 Ų117150.6 Ų150.676%0.7678%0.775SS**  -150.8170.810739.2-22.2000116.9
295S32.6Very low31.1Very low107 Ų107147.5 Ų147.575%0.74877%0.769SS**  trans1.4166.7153.1-39.10000122.1
296E30.4Very low30.7Very low167 Ų167150.1 Ų150.178%0.7877%0.774SS**  cis-164.5171.924.4-154.4161.3-134.700114.8
297L29.9Very low30.4Very low146 Ų146148.1 Ų148.176%0.76477%0.772SS**  trans76.9144.7162.8-53.2175.2000120.5
298D29.8Very low30.3Very low131 Ų131147.9 Ų147.970%0.70177%0.772SS**  cis-166.4176.4-34.2-163.912.6000110.6
299L28.2Very low30.2Very low119 Ų119145.7 Ų145.762%0.62377%0.767SS**  trans94.485.1152.9-64162.1000121.1
300K25.8Very low30.1Very low190 Ų190142.2 Ų142.283%0.82676%0.761SS**  77.5110.3123.1-72.8176.2-175167.20122.8
301Q31.2Very low28.7Very low181 Ų181145.4 Ų145.485%0.84677%0.767SS**  trans-65.1176.6137.6-72.5-172.38.700111.5
302P39.4Very low29.6Very low129 Ų129139 Ų13984%0.83876%0.757SS**  cis-144.5-173.621.844.1-23.7000117.5
303G25.7Very low30.5Very low70 Ų70137.4 Ų137.472%0.72275%0.749SS**  trans177.6144.1167.100000114.6
304Q28.9Very low30.5Very low181 Ų181137.8 Ų137.885%0.84675%0.746SS**  trans-155.3157-173.8-74.3-166.113.900111.5
305S27Very low30.9Very low78 Ų78139.7 Ų139.755%0.54575%0.749SS.*  cis-169.6-139.1-20.4630000108.7
306Y25.3Very low30.8Very low198 Ų198139.5 Ų139.578%0.77674%0.74SS**  trans78.6124.2165.4-51.7-68.3000121.6
307S27.5Very low31.4Very low105 Ų105139.5 Ų139.573%0.73474%0.744SS**  trans73.995.2134.4-62.40000123.5
308R26.2Very low31.8Very low224 Ų224137.2 Ų137.285%0.84574%0.737SS**  70139.3109.3-154.1-163-80.5-167.3-6.3121.2
309T25.5Very low32.3Very low111 Ų111133.5 Ų133.568%0.68172%0.72SS**  trans99.7130.1144.7-30000120.8
310T26.5Very low33.1Very low114 Ų114131.1 Ų131.170%0.69971%0.714SS**  trans66.6110.6152.730.60000122
311E24.3Very low34.2Very low176 Ų176128.2 Ų128.282%0.82271%0.706SS**  50.2164.2125-64.7-160.9139.600122.8
312P43.1Very low34.9Very low108 Ų108126.9 Ų126.970%0.70170%0.697SS**  -131.7-141.8-58.543.1-24.9000107.9
313P44.1Very low35.4Very low103 Ų103127.3 Ų127.367%0.66969%0.686SS**  cis-122.1173.4-36.339.9-26.2000113.8
314N31.2Very low36.5Very low138 Ų138127.2 Ų127.274%0.73867%0.669SS**  trans30128.5147.3-72.7-51.7000123.7
315L45.9Very low37.7Very low158 Ų158122.2 Ų122.283%0.82765%0.651SS**  trans48.8115.2131.7-61.9164.8000120
316D31.8Very low38.5Very low103 Ų103123.5 Ų123.555%0.55165%0.648SS**  -163.581.8118.5-147.7-13.4000115.5T318 S319D316-T318 PolarHBondContact O-N 3.3Å; D316-T318 WeakPolarHBondContact OD1-CB 3.33Å; D316-T318 WeakPolarHBondContact OD1-CG2 3.35Å; D316-T318 PolarHBondContact OD1-N 3.32Å; D316-T318 PolarHBondContact OD1-OG1 3.5Å; D316-S319 PolarHBondContact O-OG 3.02Å
317L41.3Very low39.8Very low167 Ų167122.2 Ų122.287%0.87464%0.642SS**THydrogen-bonded Turntrans-72.5-8.6174.8-160.465.3000113S319L317-S319 VanDerWaalsContact C-N 3.25Å; L317-S319 PolarHBondContact O-N 3.17Å
318T39.8Very low40.8Very low98 Ų98123.7 Ų123.760%0.60164%0.641SS**THydrogen-bonded Turntrans-74-18.2178.9750000113.1D316 S320D316-T318 PolarHBondContact O-N 3.3Å; D316-T318 WeakPolarHBondContact OD1-CB 3.33Å; D316-T318 WeakPolarHBondContact OD1-CG2 3.35Å; D316-T318 PolarHBondContact OD1-N 3.32Å; D316-T318 PolarHBondContact OD1-OG1 3.5Å; T318-S320 PolarHBondContact O-N 3Å
319S39.8Very low41.7Very low52 Ų52120 Ų12036%0.36464%0.635SS.*Hα-helixtrans-71.9-21.9-171.565.80000115.1D316 L317 K323D316-S319 PolarHBondContact O-OG 3.02Å; L317-S319 VanDerWaalsContact C-N 3.25Å; L317-S319 PolarHBondContact O-N 3.17Å; S319-K323 WeakPolarHBondContact O-CG 3.47Å; S319-K323 PolarHBondContact O-N 3.11Å
320S44.5Very low42.6Very low70 Ų70121.1 Ų121.149%0.4963%0.633SS.*Hα-helixtrans-74.5-51.7180-157.60000111.9T318 K322 K323 D324T318-S320 PolarHBondContact O-N 3Å; S320-K322 PolarHBondContact O-N 3.42Å; S320-K323 PolarHBondContact O-N 3.28Å; S320-D324 PolarHBondContact O-N 3.22Å
321I48.2Very low43.3Very low128 Ų128124.1 Ų124.166%0.65664%0.639SS**Hα-helixtrans-58.6-39.3-179.3-60.2174.7000110.2K323 D324 V325I321-K323 PolarHBondContact O-N 2.86Å; I321-D324 PolarHBondContact O-N 3.34Å; I321-V325 HydrophobicContact CG2-CG2 4.42Å; I321-V325 WeakPolarHBondContact O-CG2 3.39Å; I321-V325 PolarHBondContact O-N 3.38Å
322K47.2Very low44Very low153 Ų153124.4 Ų124.467%0.66564%0.64SS**Hα-helixtrans-65.4-38.6178.3-156.6174.3-174.8-178.70112.7S320 E326S320-K322 PolarHBondContact O-N 3.42Å; K322-E326 WeakPolarHBondContact O-CB 3.27Å; K322-E326 PolarHBondContact O-N 2.77Å
323K48.9Very low43.7Very low138 Ų138125.9 Ų125.960%0.664%0.642SS**Hα-helixtrans-65.9-37.4176.6-77.2170.1-179.51700112.8S319 S320 I321 R327S319-K323 WeakPolarHBondContact O-CG 3.47Å; S319-K323 PolarHBondContact O-N 3.11Å; S320-K323 PolarHBondContact O-N 3.28Å; I321-K323 PolarHBondContact O-N 2.86Å; K323-R327 WeakPolarHBondContact O-CB 3.45Å; K323-R327 PolarHBondContact O-N 3.11Å
324D50Low43.1Very low68 Ų68129.4 Ų129.436%0.36465%0.647SS.*Hα-helixtrans-79-32.6179.9-66.2-41.9000112.8S320 I321 R327 L328S320-D324 PolarHBondContact O-N 3.22Å; I321-D324 PolarHBondContact O-N 3.34Å; D324-R327 IonicContact OD1-CZ 3.95Å; D324-R327 IonicContact OD1-NE 3.64Å; D324-R327 PolarHBondContact OD1-NE 3.35Å; D324-R327 IonicContact OD1-NH2 2.6Å; D324-R327 PolarHBondContact OD1-NH2 2.89Å; D324-L328 PolarHBondContact O-N 3.31Å; D324-L328 VanDerWaalsContact O-N 3.13Å
325V54Low42.9Very low76 Ų76130.9 Ų130.946%0.46165%0.649SS.*Hα-helixtrans-65.7-41.7167.51720000111.5I321 L328 M329I321-V325 HydrophobicContact CG2-CG2 4.42Å; I321-V325 WeakPolarHBondContact O-CG2 3.39Å; I321-V325 PolarHBondContact O-N 3.38Å; V325-L328 PolarHBondContact O-N 3.22Å; V325-M329 HydrophobicContact CG1-SD 4.21Å; V325-M329 WeakPolarHBondContact O-CG 3.37Å; V325-M329 PolarHBondContact O-N 3.45Å
326E43.2Very low42Very low105 Ų105132.7 Ų132.749%0.49165%0.651SS.*Hα-helixtrans-68.3-33.9178.4-173.2158.6-156.100112.3K322 M329 Q330K322-E326 WeakPolarHBondContact O-CB 3.27Å; K322-E326 PolarHBondContact O-N 2.77Å; E326-M329 PolarHBondContact O-N 3.4Å; E326-Q330 WeakPolarHBondContact O-CG 3.49Å; E326-Q330 PolarHBondContact O-N 3.3Å
327R53.7Low42.9Very low171 Ų171132.1 Ų132.165%0.64565%0.652SS**Hα-helixtrans-60.4-47.7169.8-160.3-165.1-49.1-121.89.5111.5K323 D324 M329 Q330K323-R327 WeakPolarHBondContact O-CB 3.45Å; K323-R327 PolarHBondContact O-N 3.11Å; D324-R327 IonicContact OD1-CZ 3.95Å; D324-R327 IonicContact OD1-NE 3.64Å; D324-R327 PolarHBondContact OD1-NE 3.35Å; D324-R327 IonicContact OD1-NH2 2.6Å; D324-R327 PolarHBondContact OD1-NH2 2.89Å; R327-M329 PolarHBondContact O-N 2.9Å; R327-Q330 PolarHBondContact O-N 3.35Å
328L47.9Very low42.2Very low137 Ų137132.5 Ų132.572%0.71765%0.65SS**Hα-helixtrans-66.3-31.7177.3-92.4156.6000113.5D324 V325 Q330D324-L328 PolarHBondContact O-N 3.31Å; D324-L328 VanDerWaalsContact O-N 3.13Å; V325-L328 PolarHBondContact O-N 3.22Å; L328-Q330 VanDerWaalsContact C-N 3.34Å
329M45.2Very low41.5Very low145 Ų145133.8 Ų133.871%0.71466%0.657SS**Hα-helixtrans-76.7-15.8176.5-77.3-177.360.300114.2V325 E326 R327V325-M329 HydrophobicContact CG1-SD 4.21Å; V325-M329 WeakPolarHBondContact O-CG 3.37Å; V325-M329 PolarHBondContact O-N 3.45Å; E326-M329 PolarHBondContact O-N 3.4Å; R327-M329 PolarHBondContact O-N 2.9Å
330Q43.8Very low41.1Very low136 Ų136138.8 Ų138.864%0.63668%0.679SS**Hα-helixtrans-89.2-12.4-176.8-76.4177.69.600114.7E326 R327 L328E326-Q330 WeakPolarHBondContact O-CG 3.49Å; E326-Q330 PolarHBondContact O-N 3.3Å; R327-Q330 PolarHBondContact O-N 3.35Å; L328-Q330 VanDerWaalsContact C-N 3.34Å
331E40.5Very low40.4Very low177 Ų177140.1 Ų140.183%0.82769%0.689SS**THydrogen-bonded Turntrans-84-5.5177.8-66.6-164.3142.900114.9
332Q40.7Very low39.5Very low182 Ų182141 Ų14185%0.8569%0.694SS**THydrogen-bonded Turntrans-111.312.9-174.7-104.4-164.430.400116.7
333N35.6Very low38.6Very low139 Ų139140.2 Ų140.274%0.74370%0.702SS**  trans-152.7140.4172.2-132.7-42.1000114.4
334K31.5Very low37.6Very low177 Ų177136.8 Ų136.877%0.7771%0.705SS**  trans88.2130.9-169.2-60.5171.2-176172.90114.3
335H27.4Very low36.6Very low169 Ų169140.6 Ų140.678%0.78273%0.725SS**  cis-150.3146.7-0.1-101.5-62000112.5
336F27.8Very low35.4Very low196 Ų196142.6 Ų142.686%0.8674%0.738SS**  trans-88.8165.4145.3-95.7-77.9000108.6
337P49Very low34.7Very low90 Ų90146.4 Ų146.458%0.58475%0.753SS**  cis-134.4179.1-13.242.3-26.9000115
338Q28.4Very low33.7Very low176 Ų176147 Ų14782%0.82276%0.761SS**  trans65.1153.3155.2-70158.1-13.100117.7
339T25.3Very low32.9Very low124 Ų124149.8 Ų149.876%0.76177%0.767SS**  cis-147.6174.713.2-26.30000112.4
340L30.1Very low32.2Very low157 Ų157148.5 Ų148.582%0.82277%0.767SS**  trans-34.2154.9167.2-62.5161.2000116
341S30Very low31.4Very low99 Ų99148.4 Ų148.469%0.69278%0.776SS**  cis-167.2-155.5-3.244.30000108.2
342L30.1Very low30.8Very low147 Ų147145.9 Ų145.977%0.7778%0.778SS**  cis-169.4146.710.8-173.659.4000111.1
343V27.6Very low30.3Very low136 Ų136147.2 Ų147.282%0.82478%0.781SS**  trans47.8138.1159.5169.90000120.5
344G27.6Very low29.9Very low65 Ų65144.1 Ų144.167%0.6778%0.782SS**  cis164.9174.4-6.500000115.1
345N29.4Very low30Very low148 Ų148142 Ų14279%0.79179%0.789SS**  trans79.1106.3157.6-70.7-14.7000125.8
346T28.6Very low29.9Very low119 Ų119138.8 Ų138.873%0.7379%0.786SS**  99.4124.3123.260.80000126.5
347K29.6Very low30Very low184 Ų184135 Ų13580%0.878%0.779SS**  trans93.3112.5134.6-80.4169.2-179.2167.60124.7
348K32.7Very low28.9Very low185 Ų185140.5 Ų140.580%0.80479%0.794SS**  trans84.4124.5134.4-73.9-176.6172.5-178.70123.1
349K29.2Very low29.4Very low194 Ų194139.6 Ų139.684%0.84379%0.794SS**  trans43130144.4-63.2-169.9173.2-169.10118.5
350T32.1Very low29.9Very low119 Ų119138.8 Ų138.873%0.7379%0.793SS**  cis-157.6170.445.146.50000114
351T26.8Very low29.9Very low133 Ų133136.3 Ų136.382%0.81679%0.788SS**  trans44.1100151.351.10000120.5
352S27Very low29.8Very low124 Ų124139.2 Ų139.287%0.86779%0.792SS**  trans-158.9162.4144.2-167.10000111.5
353K30.5Very low29.9Very low210 Ų210139.7 Ų139.791%0.91380%0.795SS**  trans-91.7133.7164-68.8179.1178178.50108.3
354G27.7Very low30.2Very low74 Ų74137.8 Ų137.876%0.76379%0.788SS**  trans151.185.6165.300000117.9
355S32.5Very low30.3Very low132 Ų132140.6 Ų140.692%0.92378%0.783SS**  trans62.4151157.2-146.90000120.7
356S26.9Very low30.4Very low103 Ų103142.9 Ų142.972%0.7278%0.781SS**  trans-167.5157-178.595.60000108.9
357V28.2Very low30.4Very low116 Ų116146.5 Ų146.570%0.70379%0.786SS**  cis-162.6137.9-3.7113.80000109.6
358F26.4Very low30.3Very low206 Ų206145.1 Ų145.190%0.90479%0.787SS**  trans66.3164.8157.4-80-115.6000122.4
359L38.4Very low30.6Very low156 Ų156141.5 Ų141.582%0.81778%0.782SS**  trans-123.4150.4-175.2-85.1159.3000111
360S36.3Very low30.6Very low107 Ų107138.9 Ų138.975%0.74878%0.777SS**  trans54.6141.1147.7-61.90000120
361C29.5Very low30.3Very low105 Ų105138.9 Ų138.971%0.70978%0.777SS**  cis-166.8159.414.1-1260000113.1
362M29.1Very low30.9Very low160 Ų160138 Ų13879%0.78877%0.773SS**  trans73.6136.6145.9-73.4-59.6-169.600124.8
363L31.4Very low30.9Very low158 Ų158137.1 Ų137.183%0.82777%0.767SS**  trans71.2147.5155.8-65167.6000118.5
364S34.5Very low30.8Very low96 Ų96138.5 Ų138.567%0.67177%0.766SS**  cis-156.1170.89.7-1490000116.1
365E29.1Very low30.9Very low123 Ų123138.4 Ų138.458%0.57577%0.766SS**  trans72.3119.5151.7-64.9-134.213200125
366R31.6Very low30.7Very low197 Ų197143.7 Ų143.774%0.74377%0.766SS**  trans71.1150.5136.6-65.2172.4179.2154.31.2118
367K28.2Very low30.8Very low195 Ų195148.9 Ų148.985%0.84878%0.776SS**  cis-153.6158.711.8-135.5167.8-174.1176.60111.3
368L28.1Very low30.9Very low155 Ų155146.9 Ų146.981%0.81278%0.779SS**  trans-96.7159175.6-108.6169.4000111.5
369P39.2Very low31.1Very low108 Ų108144.7 Ų144.770%0.70178%0.776SS**  -154.3154.784.340.2-20.4000119.6
370L28.5Very low30.6Very low140 Ų140142.5 Ų142.573%0.73377%0.774SS**  trans43.5115.2134-55.2172.6000120
371T25.8Very low30.2Very low119 Ų119147 Ų14773%0.7378%0.78SS**  59.614974.6680000115.4
372P40.8Very low30.1Very low113 Ų113146.6 Ų146.673%0.73478%0.784SS**  cis-132.9146.218.543.7-27.1000115.4
373S26.8Very low29.9Very low107 Ų107144.2 Ų144.275%0.74879%0.79SS**  88.4137.879.297.30000118.1
374R27.4Very low29.7Very low238 Ų238140 Ų14090%0.89879%0.785SS**  trans71.5113.2141.6-160.3-175.8-157.2178.46.5119.4
375G29.2Very low29.5Very low73 Ų73144.8 Ų144.875%0.75379%0.794SS**  trans-107.4176.216400000114
376R30.2Very low29.5Very low243 Ų243146.1 Ų146.192%0.91780%0.802SS**  trans-167.4152.8162-170.2166.6-78.4-125.8-5.9111.3
377F28.8Very low29.7Very low212 Ų212141.1 Ų141.193%0.9380%0.797SS**  trans-64.8161.4167.1-89.3-106.8000113.9
378G29.9Very low29.9Very low74 Ų74141.4 Ų141.476%0.76380%0.798SS**  trans134.5110.7147.400000116.8
379D29.4Very low29.8Very low160 Ų160138.6 Ų138.686%0.85680%0.798SS**  trans-72.9153.7174.2-60.8-89.9000114.8
380S29.1Very low29.3Very low110 Ų110137.8 Ų137.877%0.76980%0.8SS**  177141125.2-86.50000116.1
381K28.5Very low30.4Very low200 Ų200136.3 Ų136.387%0.8780%0.798SS**  trans69.491150.2-70.7179.1176175.10121.7
382A26.3Very low30.6Very low97 Ų97136.9 Ų136.980%0.80280%0.802SS**  73135.9104.900000124.5
383A25.3Very low31Very low111 Ų111137 Ų13792%0.91780%0.803SS**  trans88.3135.8142.300000122.5
384G26.2Very low31.3Very low70 Ų70141.2 Ų141.272%0.72281%0.808SS**  trans108.3102.6168.800000114.2
385K31.7Very low31.4Very low195 Ų195134 Ų13485%0.84880%0.799SS**  63.8132.178.1-67.4-173.1176.2-179.40113.8
386M27.6Very low32.1Very low151 Ų151136.2 Ų136.274%0.74480%0.8SS**  cis-1701533.9-122.4172.274.200113.8
387S36.6Very low33.2Very low92 Ų92130.2 Ų130.264%0.64379%0.793SS**  trans66160.8155.6-57.10000118.1
388K32.1Very low33.3Very low202 Ų202125 Ų12588%0.87878%0.783SS**  cis-159169.4-12.4-118.8176.8178.2179.50106.2
389A27.3Very low33.3Very low96 Ų96127.3 Ų127.379%0.79378%0.782SS**  cis-148.6-170.115.500000112
390A26.8Very low33.4Very low91 Ų91126.6 Ų126.675%0.75278%0.778SS**  trans-119.9-167.9-178.700000111.3
391P52.2Low33.4Very low108 Ų108130.4 Ų130.470%0.70178%0.781SS**  -155.6135.960.838.8-15.4000120.1
392T31.2Very low33.5Very low132 Ų132125.7 Ų125.781%0.8177%0.773SS**  trans62.3167.8143.2610000120
393P48.2Very low33.6Very low114 Ų114126.8 Ų126.874%0.7477%0.77SS**  cis-113.9-164.8-4.715.611.1000111.5
394K32.6Very low33.9Very low197 Ų197130.6 Ų130.686%0.85777%0.765SS**  cis-157.8136.5-16.5-114.1172.6-179.6-178.50105.7
395A30.1Very low34Very low86 Ų86135.4 Ų135.471%0.71177%0.767SS**  82.9148.381.300000116.1
396P43.7Very low33.7Very low120 Ų120131.5 Ų131.578%0.77975%0.751SS**  cis-139.3-144.4-33.747-27.2000112.7
397P53.9Low33.7Very low117 Ų117130.7 Ų130.776%0.7675%0.746SS**  -144.6-178.1-126.640.5-15.1000119.8
398S30.2Very low33.2Very low103 Ų103134.7 Ų134.772%0.7275%0.754SS**  trans-174.3138.6147.144.40000109.6
399T29.6Very low33Very low121 Ų121131 Ų13174%0.74274%0.744SS**  cis76131.238.266.60000115.4
400N31.5Very low33Very low145 Ų145133.3 Ų133.378%0.77574%0.743SS**  cis-165.4151.2-16.9-133.8-19.1000112.6
401K31Very low33Very low190 Ų190132.2 Ų132.283%0.82674%0.741SS**  trans7.1122.8152.8-87.6-178.3177.4-178.10123.2
402S29.7Very low32Very low101 Ų101134 Ų13471%0.70675%0.749SS**  111.9140.2105.6-151.40000123.9
403T29.2Very low32Very low120 Ų120132.9 Ų132.974%0.73675%0.753SS**  trans82.4102.1144.934.20000125.1
404K30.1Very low31.2Very low191 Ų191131.5 Ų131.583%0.8375%0.752SS**  86.7143.9111.6-150.1-179.2-174.6177.90121
405K28.2Very low31.2Very low171 Ų171131.2 Ų131.274%0.74375%0.754SS**  trans73.5153.8171.8-76.8-165.6164.8-1380115.8
406Q26.7Very low31.4Very low113 Ų113134 Ų13453%0.52876%0.762SS.*  cis-172.2163.7-15.7166.2175.4-21.500108.7
407E26.1Very low30.8Very low134 Ų134131.4 Ų131.463%0.62676%0.757SS**  trans68.4135.7174.7-99.389.4-104.300115.7
408Q27.5Very low30.2Very low177 Ų177132 Ų13283%0.82776%0.758SS**  60.8134.393.8-84.9-178.1-17.900115.2
409D26.5Very low30.7Very low124 Ų124139 Ų13966%0.66377%0.768SS**  cis-154.9169.10.5-166.928.7000112.4
410N28.3Very low31.2Very low144 Ų144138.6 Ų138.677%0.7777%0.766SS**  trans17.8133.4159-81-54.1000122
411G27.1Very low32.2Very low68 Ų68134 Ų13470%0.70175%0.745SS**  trans142.9119.813300000119
412V31.1Very low33.2Very low145 Ų145129.7 Ų129.788%0.87974%0.739SS**  trans56.593.3154.4-166.60000117.3
413A30.4Very low34.3Very low109 Ų109132.4 Ų132.490%0.90174%0.74SS**  trans-96.4117.7162.600000111.1
414A32.7Very low35.5Very low85 Ų85131.8 Ų131.870%0.70273%0.732SS**  trans-152.3150.2166.500000111.1
415E31.4Very low37.2Very low192 Ų192126.7 Ų126.790%0.89772%0.716SS**  trans56.168.3168.8-57.8-160.5176.700119.3G417E415-G417 VanDerWaalsContact C-N 3.26Å; E415-G417 PolarHBondContact O-N 2.81Å; E415-G417 VanDerWaalsContact O-N 3.08Å
416T33.8Very low38.9Very low145 Ų145121.1 Ų121.189%0.8970%0.703SS**  trans-79.774.7152.9560000111.1V418T416-V418 PolarHBondContact O-N 3.06Å
417G31.6Very low40.6Very low65 Ų65119.5 Ų119.567%0.6770%0.703SS**  trans-62.8127.6172.200000112.2E415 R419E415-G417 VanDerWaalsContact C-N 3.26Å; E415-G417 PolarHBondContact O-N 2.81Å; E415-G417 VanDerWaalsContact O-N 3.08Å; G417-R419 PolarHBondContact O-N 3.31Å
418V40.8Very low42.6Very low128 Ų128117 Ų11778%0.77670%0.698SS**  trans-52.9105-171.8179.10000113.2T416 V420T416-V418 PolarHBondContact O-N 3.06Å; V418-V420 HydrophobicContact CG1-CB 4.15Å; V418-V420 HydrophobicContact CG1-CG2 3.46Å; V418-V420 VanDerWaalsContact CG1-CG2 3.46Å; V418-V420 PolarHBondContact O-N 3.02Å
419R40.4Very low44.5Very low251 Ų251114.8 Ų114.895%0.94769%0.687SS**  trans-8499161.8-89.5-167.5174.3-162.61110G417G417-R419 PolarHBondContact O-N 3.31Å
420V41.8Very low46.4Very low113 Ų113112.4 Ų112.469%0.68568%0.68SS**  trans-115.7105.4169.9166.10000110.2V418V418-V420 HydrophobicContact CG1-CB 4.15Å; V418-V420 HydrophobicContact CG1-CG2 3.46Å; V418-V420 VanDerWaalsContact CG1-CG2 3.46Å; V418-V420 PolarHBondContact O-N 3.02Å
421S51.2Low48.1Very low48 Ų48110.6 Ų110.634%0.33667%0.67SS.*  trans43.876.9155.965.10000118.7E423 L424S421-E423 PolarHBondContact O-N 2.83Å; S421-L424 PolarHBondContact O-N 2.9Å; S421-L424 WeakPolarHBondContact OG-CB 3.49Å
422S52.1Low50.3Low100 Ų100110.6 Ų110.670%0.69966%0.656SS**Hα-helixtrans-55.9-31.6154.746.60000112.2L424 V425 A426S422-L424 VanDerWaalsContact C-N 3.33Å; S422-L424 PolarHBondContact O-N 2.84Å; S422-V425 PolarHBondContact O-N 3.15Å; S422-A426 PolarHBondContact O-N 3.32Å
423E52.8Low52.1Low158 Ų158105.7 Ų105.774%0.73863%0.631SS**Hα-helixtrans-63.7-33.7176.8-62.6173.5157.300113S421 S427S421-E423 PolarHBondContact O-N 2.83Å; E423-S427 WeakPolarHBondContact O-CB 3.39Å; E423-S427 PolarHBondContact O-N 3.46Å
424L55.5Low53.9Low107 Ų107104.2 Ų104.256%0.5661%0.61SS**Hα-helixtrans-70.5-41.5176.6-172.768.8000110.8S421 S422 A426 S427 V428S421-L424 PolarHBondContact O-N 2.9Å; S421-L424 WeakPolarHBondContact OG-CB 3.49Å; S422-L424 VanDerWaalsContact C-N 3.33Å; S422-L424 PolarHBondContact O-N 2.84Å; L424-A426 VanDerWaalsContact C-N 3.35Å; L424-S427 PolarHBondContact O-N 2.89Å; L424-V428 WeakPolarHBondContact O-CG2 3.33Å; L424-V428 PolarHBondContact O-N 2.94Å
425V64.8Low55.1Low83 Ų83104.5 Ų104.550%0.50360%0.599SS.*Hα-helixtrans-61.2-45.2174.8-178.80000110.4S422 S427 V428 Q429S422-V425 PolarHBondContact O-N 3.15Å; V425-S427 PolarHBondContact O-N 3.27Å; V425-V428 PolarHBondContact O-N 2.92Å; V425-Q429 WeakPolarHBondContact O-CB 3.5Å; V425-Q429 WeakPolarHBondContact O-CG 3.26Å; V425-Q429 PolarHBondContact O-N 3.28Å
426A64.1Low56.4Low55 Ų55100.7 Ų100.746%0.45558%0.582SS.*Hα-helixtrans-62.4-40.417500000112.6S422 L424 Q429 S430S422-A426 PolarHBondContact O-N 3.32Å; L424-A426 VanDerWaalsContact C-N 3.35Å; A426-Q429 PolarHBondContact O-N 2.79Å; A426-S430 WeakPolarHBondContact O-CB 3.47Å; A426-S430 PolarHBondContact O-N 3.35Å
427S62.4Low57.3Low78 Ų78103 Ų10355%0.54557%0.574SS.*Hα-helixtrans-66.7-36.9177.1-169.20000112.8E423 L424 V425 L431E423-S427 WeakPolarHBondContact O-CB 3.39Å; E423-S427 PolarHBondContact O-N 3.46Å; L424-S427 PolarHBondContact O-N 2.89Å; V425-S427 PolarHBondContact O-N 3.27Å; S427-L431 PolarHBondContact O-N 2.86Å; S427-L431 VanDerWaalsContact O-N 3.09Å
428V67.4Low58.2Low83 Ų83105.7 Ų105.750%0.50357%0.569SS.*Hα-helixtrans-71.1-43.2175.71720000110.8L424 V425 S430 L431 V432L424-V428 WeakPolarHBondContact O-CG2 3.33Å; L424-V428 PolarHBondContact O-N 2.94Å; V425-V428 PolarHBondContact O-N 2.92Å; V428-S430 VanDerWaalsContact C-N 3.31Å; V428-S430 PolarHBondContact O-N 3.2Å; V428-L431 PolarHBondContact O-N 3.43Å; V428-V432 WeakPolarHBondContact O-CG2 3.46Å; V428-V432 PolarHBondContact O-N 2.92Å
429Q67.3Low58.6Low130 Ų130105.5 Ų105.561%0.60756%0.562SS**Hα-helixtrans-61.6-38.9174.6-73.8175.4-1500112.2V425 A426 V432 A433V425-Q429 WeakPolarHBondContact O-CB 3.5Å; V425-Q429 WeakPolarHBondContact O-CG 3.26Å; V425-Q429 PolarHBondContact O-N 3.28Å; A426-Q429 PolarHBondContact O-N 2.79Å; Q429-V432 PolarHBondContact O-N 2.8Å; Q429-A433 WeakPolarHBondContact O-CB 3.26Å; Q429-A433 PolarHBondContact O-N 3.31Å
430S67.6Low58.9Low73 Ų73100.6 Ų100.651%0.5155%0.55SS..Hα-helixtrans-61.4-44.1172.8-172.70000112.1A426 V428 A433 V434A426-S430 WeakPolarHBondContact O-CB 3.47Å; A426-S430 PolarHBondContact O-N 3.35Å; V428-S430 VanDerWaalsContact C-N 3.31Å; V428-S430 PolarHBondContact O-N 3.2Å; S430-A433 PolarHBondContact O-N 2.92Å; S430-V434 WeakPolarHBondContact O-CG2 3.22Å; S430-V434 PolarHBondContact O-N 3.04Å
431L64.6Low59.2Low106 Ų106100.3 Ų100.356%0.55555%0.549SS*.Hα-helixtrans-65.1-40.5177.4-174.463000112.4S427 V428 V434 L435S427-L431 PolarHBondContact O-N 2.86Å; S427-L431 VanDerWaalsContact O-N 3.09Å; V428-L431 PolarHBondContact O-N 3.43Å; L431-V434 PolarHBondContact O-N 2.89Å; L431-L435 HydrophobicContact CG-CD1 4.28Å; L431-L435 WeakPolarHBondContact O-CG 3.38Å; L431-L435 PolarHBondContact O-N 3.48Å
432V72Confident58.9Low69 Ų69103.1 Ų103.142%0.41857%0.569SS.*Hα-helixtrans-61.2-47.6173.91720000110.7V428 Q429 V434 L435 E436V428-V432 WeakPolarHBondContact O-CG2 3.46Å; V428-V432 PolarHBondContact O-N 2.92Å; Q429-V432 PolarHBondContact O-N 2.8Å; V432-V434 PolarHBondContact O-N 2.7Å; V432-L435 PolarHBondContact O-N 3.4Å; V432-L435 VanDerWaalsContact O-N 3.11Å; V432-E436 HydrophobicContact CG1-CG 4.27Å; V432-E436 WeakPolarHBondContact O-CG 3.26Å; V432-E436 PolarHBondContact O-N 3.23Å
433A68.9Low58.2Low42 Ų42103.4 Ų103.435%0.34757%0.57SS.*Hα-helixtrans-64.1-25.8178.800000113.9Q429 S430 R437Q429-A433 WeakPolarHBondContact O-CB 3.26Å; Q429-A433 PolarHBondContact O-N 3.31Å; S430-A433 PolarHBondContact O-N 2.92Å; A433-R437 PolarHBondContact O-N 3.25Å
434V68.4Low57.6Low78 Ų78103.4 Ų103.447%0.47358%0.575SS.*Hα-helixtrans-74.3-45.8171168.70000111.1S430 L431 V432 R437 Q438S430-V434 WeakPolarHBondContact O-CG2 3.22Å; S430-V434 PolarHBondContact O-N 3.04Å; L431-V434 PolarHBondContact O-N 2.89Å; V432-V434 PolarHBondContact O-N 2.7Å; V434-R437 WeakPolarHBondContact O-CB 3.16Å; V434-R437 PolarHBondContact O-N 2.93Å; V434-Q438 PolarHBondContact O-N 2.94Å
435L58.4Low56.7Low90 Ų90106.4 Ų106.447%0.47159%0.585SS.*Hα-helixtrans-65.4-40.5178.5-70.2169.5000112.2L431 V432 R437 Q438 I439L431-L435 HydrophobicContact CG-CD1 4.28Å; L431-L435 WeakPolarHBondContact O-CG 3.38Å; L431-L435 PolarHBondContact O-N 3.48Å; V432-L435 PolarHBondContact O-N 3.4Å; V432-L435 VanDerWaalsContact O-N 3.11Å; L435-R437 PolarHBondContact O-N 3.34Å; L435-Q438 PolarHBondContact O-N 3.18Å; L435-Q438 VanDerWaalsContact O-N 3.17Å; L435-I439 WeakPolarHBondContact O-CG1 3.42Å; L435-I439 PolarHBondContact O-N 3.43Å
436E58.1Low55.2Low112 Ų112112.9 Ų112.952%0.52360%0.602SS.*Hα-helixtrans-61.3-43.1173.4-73.5-178.8156.500111.7V432 Q438 I439 H440V432-E436 HydrophobicContact CG1-CG 4.27Å; V432-E436 WeakPolarHBondContact O-CG 3.26Å; V432-E436 PolarHBondContact O-N 3.23Å; E436-Q438 VanDerWaalsContact C-N 3.31Å; E436-Q438 PolarHBondContact O-N 3.43Å; E436-I439 PolarHBondContact O-N 2.85Å; E436-H440 PolarHBondContact O-N 2.98Å; E436-H440 PolarHBondContact O-ND1 2.92Å
437R54Low53.7Low193 Ų193114 Ų11473%0.72861%0.611SS**Hα-helixtrans-57.9-44172.1-100.8-173.7168.985.5-0.2111.9A433 V434 L435 H440 T441A433-R437 PolarHBondContact O-N 3.25Å; V434-R437 WeakPolarHBondContact O-CB 3.16Å; V434-R437 PolarHBondContact O-N 2.93Å; L435-R437 PolarHBondContact O-N 3.34Å; R437-H440 PolarHBondContact O-N 3.2Å; R437-T441 PolarHBondContact O-N 2.8Å; R437-T441 PolarHBondContact O-OG1 2.92Å
438Q49.7Very low52.4Low123 Ų123116.7 Ų116.758%0.57563%0.625SS**Hα-helixtrans-70-33.1-175.4-164.5163.6-2.800112.8V434 L435 E436 T441V434-Q438 PolarHBondContact O-N 2.94Å; L435-Q438 PolarHBondContact O-N 3.18Å; L435-Q438 VanDerWaalsContact O-N 3.17Å; E436-Q438 VanDerWaalsContact C-N 3.31Å; E436-Q438 PolarHBondContact O-N 3.43Å; Q438-T441 WeakPolarHBondContact CA-OG1 3.5Å; Q438-T441 PolarHBondContact O-OG1 2.93Å
439I49.9Very low51.2Low123 Ų123117.6 Ų117.663%0.63163%0.632SS**Hα-helixtrans-67-44.3173.5-69.3164.8000111.1L435 E436 T441 S442L435-I439 WeakPolarHBondContact O-CG1 3.42Å; L435-I439 PolarHBondContact O-N 3.43Å; E436-I439 PolarHBondContact O-N 2.85Å; I439-T441 VanDerWaalsContact C-N 3.28Å; I439-T441 PolarHBondContact O-N 2.82Å; I439-S442 PolarHBondContact O-N 3.28Å
440H45.7Very low49.5Very low148 Ų148119 Ų11969%0.68564%0.638SS**Hα-helixtrans-70.8-19.7-178.8-70.288.7000113.7E436 R437E436-H440 PolarHBondContact O-N 2.98Å; E436-H440 PolarHBondContact O-ND1 2.92Å; R437-H440 PolarHBondContact O-N 3.2Å
441T49Very low47.7Very low108 Ų108121.9 Ų121.966%0.66365%0.648SS**THydrogen-bonded Turntrans-78.6-11.5176.644.20000115.5R437 Q438 I439R437-T441 PolarHBondContact O-N 2.8Å; R437-T441 PolarHBondContact O-OG1 2.92Å; Q438-T441 WeakPolarHBondContact CA-OG1 3.5Å; Q438-T441 PolarHBondContact O-OG1 2.93Å; I439-T441 VanDerWaalsContact C-N 3.28Å; I439-T441 PolarHBondContact O-N 2.82Å
442S44.1Very low46Very low107 Ų107122.5 Ų122.575%0.74866%0.66SS**THydrogen-bonded Turntrans-100.87.1-176.4-62.90000114.8I439I439-S442 PolarHBondContact O-N 3.28Å
443S38Very low44.1Very low105 Ų105124.3 Ų124.373%0.73468%0.676SS**  trans-104.126.6-171.7-157.80000114.7
444L40.5Very low42.2Very low159 Ų159127.8 Ų127.883%0.83270%0.696SS**  trans-138.485.1-177.4-93.2168.6000113.2
445H35.8Very low40.6Very low169 Ų169130.3 Ų130.378%0.78271%0.712SS**  trans-160.1119.8141-112.5-51.7000114.5
446Y32.5Very low39.4Very low219 Ų219135.1 Ų135.186%0.85973%0.732SS**  trans57.3142.7159.3-74-59.9000123
447A33.3Very low38.3Very low78 Ų78134.2 Ų134.265%0.64574%0.744SS**  trans-113.1141165.200000109.6
448V35.2Very low37.8Very low136 Ų136130.4 Ų130.482%0.82474%0.744SS**  42.2133.7119.3-175.70000117.9
449P42.7Very low37.6Very low102 Ų102130.5 Ų130.566%0.66276%0.755SS**  cis-137.7179.74.437.3-16.7000117.4
450Q31.2Very low37.2Very low158 Ų158133.9 Ų133.974%0.73877%0.769SS**  109.9116.7128.2-152.6145.8-1.700122.4
451D30Very low37.4Very low135 Ų135136.4 Ų136.472%0.72278%0.778SS**  trans68.7154.1148.8-64.3-19.1000124.9
452C27.8Very low37.3Very low118 Ų118135.1 Ų135.180%0.79778%0.778SS**  trans82.279.2166-680000121.8
453S32.3Very low37.8Very low108 Ų108135.7 Ų135.776%0.75577%0.773SS**  75.6120.5124.4650000124.1
454C30.4Very low38.6Very low114 Ų114134.5 Ų134.577%0.7777%0.765SS**  trans87.2117.6137.7-69.80000123.2
455T34.8Very low39.5Very low132 Ų132131.2 Ų131.281%0.8176%0.755SS**  trans63126.8151.634.30000118.4
456Q33.2Very low40.7Very low191 Ų191127.4 Ų127.489%0.89374%0.743SS**  cis-138-171.121.5-64.1-176-14.900113.2
457A33.3Very low42.4Very low93 Ų93121.1 Ų121.177%0.76972%0.724SS**PPolyproline II helixtrans-87.3153.9-167.200000115.7
458P44.3Very low44.2Very low113 Ų113123.5 Ų123.573%0.73472%0.721SS**PPolyproline II helixtrans-95153178.537.1-34.9000114.2
459P45.5Very low45.9Very low125 Ų125119.4 Ų119.481%0.81270%0.702SS**PPolyproline II helixtrans-78.2161.9161.934.2-33.7000111.8
460Q42Very low47.3Very low194 Ų194119.3 Ų119.391%0.90770%0.695SS**PPolyproline II helixtrans-93.8162.9-171-68.7177-20.900114.4
461F48.7Very low49.5Very low201 Ų201119.9 Ų119.988%0.88269%0.691SS**PPolyproline II helixtrans-80.6151.8-169.4-66.2-103.1000114.3
462A47.3Very low51.8Low81 Ų81116.5 Ų116.567%0.66968%0.681SS**  trans-128.9-23.7168.400000114.7S464A462-S464 PolarHBondContact O-N 2.94Å
463D55.1Low54.2Low119 Ų119117 Ų11764%0.63667%0.672SS**THydrogen-bonded Turntrans-82.1-14.8-165-59.3-58000116.3S465 V466 I467D463-S465 VanDerWaalsContact C-N 3.3Å; D463-S465 PolarHBondContact O-N 2.88Å; D463-V466 PolarHBondContact O-N 2.68Å; D463-I467 PolarHBondContact O-N 3.47Å
464S55.2Low56.5Low80 Ų80117.6 Ų117.656%0.55967%0.666SS**Hα-helixtrans-61.2-38-174.6-163.30000112.9A462 V466 I467 E468A462-S464 PolarHBondContact O-N 2.94Å; S464-V466 PolarHBondContact O-N 3.38Å; S464-I467 PolarHBondContact O-N 3.37Å; S464-E468 WeakPolarHBondContact O-CB 3.48Å; S464-E468 PolarHBondContact O-N 2.95Å
465S58.2Low58.9Low90 Ų90114.7 Ų114.763%0.62965%0.651SS**Hα-helixtrans-60.8-42.4-178.9177.20000112.5D463 E468 A469D463-S465 VanDerWaalsContact C-N 3.3Å; D463-S465 PolarHBondContact O-N 2.88Å; S465-E468 PolarHBondContact O-N 3.15Å; S465-A469 WeakPolarHBondContact O-CB 3.27Å; S465-A469 PolarHBondContact O-N 2.9Å
466V62.7Low61.1Low89 Ų89114.4 Ų114.454%0.53964%0.639SS.*Hα-helixtrans-69.2-40.6-178.3-175.50000110.9D463 S464 E468 L470D463-V466 PolarHBondContact O-N 2.68Å; S464-V466 PolarHBondContact O-N 3.38Å; V466-E468 VanDerWaalsContact C-N 3.33Å; V466-E468 PolarHBondContact O-N 3.44Å; V466-L470 HydrophobicContact CG1-CD1 4.18Å; V466-L470 WeakPolarHBondContact O-CB 3.35Å; V466-L470 VanDerWaalsContact O-CG 3.31Å; V466-L470 WeakPolarHBondContact O-CG 3.43Å; V466-L470 PolarHBondContact O-N 2.9Å
467I67.6Low63.5Low87 Ų87110.7 Ų110.745%0.44662%0.62SS.*Hα-helixtrans-65-39.4177.5-63.5170.9000110.8D463 S464 R471D463-I467 PolarHBondContact O-N 3.47Å; S464-I467 PolarHBondContact O-N 3.37Å; I467-R471 VanDerWaalsContact O-CG 3.32Å; I467-R471 WeakPolarHBondContact O-CG 3.21Å; I467-R471 PolarHBondContact O-N 3.03Å
468E71.6Confident65.9Low127 Ų127110.4 Ų110.459%0.59361%0.609SS**Hα-helixtrans-72-40.2179.3-165.9145.5-133.200112.4S464 S465 V466 L470 R471 A472S464-E468 WeakPolarHBondContact O-CB 3.48Å; S464-E468 PolarHBondContact O-N 2.95Å; S465-E468 PolarHBondContact O-N 3.15Å; V466-E468 VanDerWaalsContact C-N 3.33Å; V466-E468 PolarHBondContact O-N 3.44Å; E468-L470 PolarHBondContact O-N 2.88Å; E468-R471 PolarHBondContact O-N 2.86Å; E468-A472 PolarHBondContact O-N 2.7Å
469A69.1Low67.9Low50 Ų50112.6 Ų112.641%0.41361%0.607SS.*Hα-helixtrans-60.8-42.2171.700000112.6S465 A472 Q473S465-A469 WeakPolarHBondContact O-CB 3.27Å; S465-A469 PolarHBondContact O-N 2.9Å; A469-A472 PolarHBondContact O-N 3.31Å; A469-Q473 PolarHBondContact O-N 3.45Å
470L73.6Confident69.7Low101 Ų101109.6 Ų109.653%0.52958%0.582SS.*Hα-helixtrans-65.5-39.1175.6-74.2169.5000112.2V466 E468 Q473 L474V466-L470 HydrophobicContact CG1-CD1 4.18Å; V466-L470 WeakPolarHBondContact O-CB 3.35Å; V466-L470 VanDerWaalsContact O-CG 3.31Å; V466-L470 WeakPolarHBondContact O-CG 3.43Å; V466-L470 PolarHBondContact O-N 2.9Å; E468-L470 PolarHBondContact O-N 2.88Å; L470-Q473 PolarHBondContact O-N 2.95Å; L470-L474 WeakPolarHBondContact O-CB 3.13Å; L470-L474 PolarHBondContact O-N 3.31Å
471R77.9Confident71.7Confident169 Ų169105.9 Ų105.964%0.63857%0.568SS**Hα-helixtrans-61.7-42.2172.7-74.9169.4179.1164.70.7111.8I467 E468 L474 A475I467-R471 VanDerWaalsContact O-CG 3.32Å; I467-R471 WeakPolarHBondContact O-CG 3.21Å; I467-R471 PolarHBondContact O-N 3.03Å; E468-R471 PolarHBondContact O-N 2.86Å; R471-L474 PolarHBondContact O-N 3.47Å; R471-A475 WeakPolarHBondContact O-CB 3.14Å; R471-A475 PolarHBondContact O-N 3.41Å
472A78.1Confident73.5Confident64 Ų64100.7 Ų100.753%0.52955%0.546SS..Hα-helixtrans-63.9-43.2176.900000112.4E468 A469 A475 H476E468-A472 PolarHBondContact O-N 2.7Å; A469-A472 PolarHBondContact O-N 3.31Å; A472-A475 PolarHBondContact O-N 3.27Å; A472-H476 PolarHBondContact O-N 2.87Å
473Q76.8Confident75.1Confident130 Ų130103 Ų10361%0.60755%0.545SS*.Hα-helixtrans-63.6-41.1174.6-73.5-176.1-8.500112.5A469 L470 H476 K477A469-Q473 PolarHBondContact O-N 3.45Å; L470-Q473 PolarHBondContact O-N 2.95Å; Q473-H476 WeakPolarHBondContact O-CB 3.38Å; Q473-H476 PolarHBondContact O-N 2.65Å; Q473-K477 PolarHBondContact O-N 3.13Å
474L81.1Confident76.3Confident120 Ų120102.5 Ų102.563%0.62854%0.54SS*.Hα-helixtrans-67.3-40.8178.3-160.2153.6000111L470 R471 H476 K477 V478L470-L474 WeakPolarHBondContact O-CB 3.13Å; L470-L474 PolarHBondContact O-N 3.31Å; R471-L474 PolarHBondContact O-N 3.47Å; L474-H476 VanDerWaalsContact C-N 3.33Å; L474-H476 PolarHBondContact O-N 2.86Å; L474-K477 PolarHBondContact O-N 3.47Å; L474-V478 HydrophobicContact CD2-CG2 4.02Å; L474-V478 WeakPolarHBondContact O-CG2 3.32Å; L474-V478 PolarHBondContact O-N 2.86Å
475A80.6Confident77.9Confident53 Ų53103.5 Ų103.544%0.43853%0.534SS..Hα-helixtrans-62.7-36.1172.800000113R471 A472 K479R471-A475 WeakPolarHBondContact O-CB 3.14Å; R471-A475 PolarHBondContact O-N 3.41Å; A472-A475 PolarHBondContact O-N 3.27Å; A475-K479 PolarHBondContact O-N 3.37Å
476H81.5Confident79.2Confident125 Ų125102.7 Ų102.758%0.57952%0.523SS*.Hα-helixtrans-62.9-48.8171.4-171.7-68.2000111.3A472 Q473 L474 V478 K479 E480A472-H476 PolarHBondContact O-N 2.87Å; Q473-H476 WeakPolarHBondContact O-CB 3.38Å; Q473-H476 PolarHBondContact O-N 2.65Å; L474-H476 VanDerWaalsContact C-N 3.33Å; L474-H476 PolarHBondContact O-N 2.86Å; H476-V478 VanDerWaalsContact C-N 3.31Å; H476-V478 PolarHBondContact O-N 2.88Å; H476-K479 PolarHBondContact O-N 3.25Å; H476-K479 VanDerWaalsContact O-N 3.16Å; H476-E480 IonicContact CE1-OE2 2.92Å; H476-E480 IonicContact ND1-OE2 2.78Å; H476-E480 PolarHBondContact ND1-OE2 2.68Å; H476-E480 WeakPolarHBondContact O-CB 3.39Å; H476-E480 PolarHBondContact O-N 2.82Å
477K83.3Confident80.3Confident113 Ų113102.9 Ų102.949%0.49152%0.521SS..Hα-helixtrans-65.2-31.4179.9-75.1-70.8171-154.80113.3Q473 L474 E480 L481Q473-K477 PolarHBondContact O-N 3.13Å; L474-K477 PolarHBondContact O-N 3.47Å; K477-E480 WeakPolarHBondContact CD-OE2 3.38Å; K477-E480 WeakPolarHBondContact CE-OE2 3.45Å; K477-E480 IonicContact NZ-OE1 3.62Å; K477-E480 PolarHBondContact NZ-OE1 3.38Å; K477-E480 IonicContact NZ-OE2 3.65Å; K477-E480 PolarHBondContact NZ-OE2 2.97Å; K477-E480 PolarHBondContact O-N 2.83Å; K477-L481 WeakPolarHBondContact O-CB 3.44Å; K477-L481 VanDerWaalsContact O-CG 3.3Å; K477-L481 WeakPolarHBondContact O-CG 3.34Å; K477-L481 PolarHBondContact O-N 2.81Å
478V83.4Confident81.1Confident87 Ų87100.8 Ų100.853%0.52752%0.516SS..Hα-helixtrans-65.4-43171.4168.80000111.7L474 H476 L481 Q482L474-V478 HydrophobicContact CD2-CG2 4.02Å; L474-V478 WeakPolarHBondContact O-CG2 3.32Å; L474-V478 PolarHBondContact O-N 2.86Å; H476-V478 VanDerWaalsContact C-N 3.31Å; H476-V478 PolarHBondContact O-N 2.88Å; V478-L481 PolarHBondContact O-N 3.25Å; V478-Q482 PolarHBondContact O-N 3.49Å
479K87Confident82Confident159 Ų15999.8 Ų99.869%0.69151%0.512SS*.Hα-helixtrans-64-40.8174.5-71.7-178.4177.8-175.40112.4A475 H476 Q482 M483A475-K479 PolarHBondContact O-N 3.37Å; H476-K479 PolarHBondContact O-N 3.25Å; H476-K479 VanDerWaalsContact O-N 3.16Å; K479-Q482 PolarHBondContact O-N 2.9Å; K479-M483 VanDerWaalsContact O-CG 3.28Å; K479-M483 WeakPolarHBondContact O-CG 3.45Å; K479-M483 PolarHBondContact O-N 3.43Å
480E83.4Confident83Confident62 Ų62103 Ų10329%0.2952%0.518SS..Hα-helixtrans-62.4-42.4177.4-164.4-179.3136.500111.9H476 K477 M484H476-E480 IonicContact CE1-OE2 2.92Å; H476-E480 IonicContact ND1-OE2 2.78Å; H476-E480 PolarHBondContact ND1-OE2 2.68Å; H476-E480 WeakPolarHBondContact O-CB 3.39Å; H476-E480 PolarHBondContact O-N 2.82Å; K477-E480 WeakPolarHBondContact CD-OE2 3.38Å; K477-E480 WeakPolarHBondContact CE-OE2 3.45Å; K477-E480 IonicContact NZ-OE1 3.62Å; K477-E480 PolarHBondContact NZ-OE1 3.38Å; K477-E480 IonicContact NZ-OE2 3.65Å; K477-E480 PolarHBondContact NZ-OE2 2.97Å; K477-E480 PolarHBondContact O-N 2.83Å; E480-M484 HydrophobicContact CG-CE 4.36Å; E480-M484 WeakPolarHBondContact O-CG 3.43Å; E480-M484 PolarHBondContact O-N 3.33Å
481L83.9Confident83.6Confident116 Ų116101.9 Ų101.961%0.60751%0.512SS*.Hα-helixtrans-68.3-34.1173.8-72.9170000113.2K477 V478 M484 K485K477-L481 WeakPolarHBondContact O-CB 3.44Å; K477-L481 VanDerWaalsContact O-CG 3.3Å; K477-L481 WeakPolarHBondContact O-CG 3.34Å; K477-L481 PolarHBondContact O-N 2.81Å; V478-L481 PolarHBondContact O-N 3.25Å; L481-M484 PolarHBondContact O-N 3.44Å; L481-K485 PolarHBondContact O-N 2.84Å
482Q87.1Confident84Confident93 Ų9397.4 Ų97.444%0.43550%0.5SS..Hα-helixtrans-65.9-46.2175.2-177.758.343.700111.2V478 K479 M484 K485 D486V478-Q482 PolarHBondContact O-N 3.49Å; K479-Q482 PolarHBondContact O-N 2.9Å; Q482-M484 VanDerWaalsContact C-N 3.34Å; Q482-M484 PolarHBondContact O-N 3.19Å; Q482-K485 WeakPolarHBondContact O-CB 3.44Å; Q482-K485 PolarHBondContact O-N 2.94Å; Q482-D486 PolarHBondContact NE2-OD1 2.85Å; Q482-D486 PolarHBondContact NE2-OD2 3.21Å; Q482-D486 VanDerWaalsContact O-CG 3.32Å; Q482-D486 PolarHBondContact O-N 2.9Å
483M80.6Confident84.6Confident128 Ų12896.9 Ų96.963%0.63149%0.493SS*.Hα-helixtrans-54-49.5173.5-65.7-88-64.400111.2K479 K485 D486 D487K479-M483 VanDerWaalsContact O-CG 3.28Å; K479-M483 WeakPolarHBondContact O-CG 3.45Å; K479-M483 PolarHBondContact O-N 3.43Å; M483-K485 VanDerWaalsContact C-N 3.26Å; M483-K485 PolarHBondContact O-N 3.17Å; M483-D486 PolarHBondContact O-N 2.81Å; M483-D487 WeakPolarHBondContact O-CB 3.28Å; M483-D487 PolarHBondContact O-N 2.85Å
484M79.7Confident85.2Confident110 Ų11094.7 Ų94.754%0.54249%0.485SS..Hα-helixtrans-62.4-28.9178.1-70-177.7-175.900113.8E480 L481 Q482 A488E480-M484 HydrophobicContact CG-CE 4.36Å; E480-M484 WeakPolarHBondContact O-CG 3.43Å; E480-M484 PolarHBondContact O-N 3.33Å; L481-M484 PolarHBondContact O-N 3.44Å; Q482-M484 VanDerWaalsContact C-N 3.34Å; Q482-M484 PolarHBondContact O-N 3.19Å; M484-A488 VanDerWaalsContact O-CB 3.28Å; M484-A488 WeakPolarHBondContact O-CB 3.22Å; M484-A488 PolarHBondContact O-N 3.45Å; M484-A488 VanDerWaalsContact O-N 3.1Å
485K88.4Confident85.4Confident100 Ų10096.5 Ų96.544%0.43548%0.484SS..Hα-helixtrans-72.2-44.7175-179.8-177.3170.9-61.70111L481 Q482 M483 A488 E489L481-K485 PolarHBondContact O-N 2.84Å; Q482-K485 WeakPolarHBondContact O-CB 3.44Å; Q482-K485 PolarHBondContact O-N 2.94Å; M483-K485 VanDerWaalsContact C-N 3.26Å; M483-K485 PolarHBondContact O-N 3.17Å; K485-A488 PolarHBondContact O-N 3.34Å; K485-E489 WeakPolarHBondContact CE-OE1 3.47Å; K485-E489 IonicContact NZ-OE1 3.66Å; K485-E489 PolarHBondContact NZ-OE1 3.17Å; K485-E489 IonicContact NZ-OE2 3.54Å; K485-E489 PolarHBondContact O-N 2.82Å
486D86.6Confident85.8Confident74 Ų74100.6 Ų100.640%0.39649%0.494SS..Hα-helixtrans-68.5-39.2-179.3-59.6-27.1000110.8Q482 M483 A488 E489 H490Q482-D486 PolarHBondContact NE2-OD1 2.85Å; Q482-D486 PolarHBondContact NE2-OD2 3.21Å; Q482-D486 VanDerWaalsContact O-CG 3.32Å; Q482-D486 PolarHBondContact O-N 2.9Å; M483-D486 PolarHBondContact O-N 2.81Å; D486-A488 PolarHBondContact O-N 3.08Å; D486-E489 PolarHBondContact O-N 2.94Å; D486-H490 PolarHBondContact O-N 3.4Å
487D84Confident86.1Confident93 Ų9399.9 Ų99.950%0.49749%0.49SS..Hα-helixtrans-58.7-44.7168.8-75.8-32000112M483 E489 H490 I491M483-D487 WeakPolarHBondContact O-CB 3.28Å; M483-D487 PolarHBondContact O-N 2.85Å; D487-E489 VanDerWaalsContact C-N 3.35Å; D487-E489 PolarHBondContact O-N 3.46Å; D487-H490 PolarHBondContact O-N 3.02Å; D487-I491 WeakPolarHBondContact O-CB 3.5Å; D487-I491 VanDerWaalsContact O-CG1 3.26Å; D487-I491 WeakPolarHBondContact O-CG1 3.24Å; D487-I491 PolarHBondContact O-N 2.67Å
488A86.4Confident86.3Confident42 Ų4298.6 Ų98.635%0.34749%0.489SS..Hα-helixtrans-66-35.7179.100000112.6M484 K485 D486 N492M484-A488 VanDerWaalsContact O-CB 3.28Å; M484-A488 WeakPolarHBondContact O-CB 3.22Å; M484-A488 PolarHBondContact O-N 3.45Å; M484-A488 VanDerWaalsContact O-N 3.1Å; K485-A488 PolarHBondContact O-N 3.34Å; D486-A488 PolarHBondContact O-N 3.08Å; A488-N492 WeakPolarHBondContact O-CB 3.43Å; A488-N492 PolarHBondContact O-N 3.47Å; A488-N492 PolarHBondContact O-ND2 2.83Å; A488-N492 VanDerWaalsContact O-ND2 3.09Å
489E89.8Confident86.7Confident106 Ų106102.7 Ų102.750%0.49550%0.496SS..Hα-helixtrans-68.5-41.3173.9-75.3176.5-156.500111.5K485 D486 D487 N492 S493K485-E489 WeakPolarHBondContact CE-OE1 3.47Å; K485-E489 IonicContact NZ-OE1 3.66Å; K485-E489 PolarHBondContact NZ-OE1 3.17Å; K485-E489 IonicContact NZ-OE2 3.54Å; K485-E489 PolarHBondContact O-N 2.82Å; D486-E489 PolarHBondContact O-N 2.94Å; D487-E489 VanDerWaalsContact C-N 3.35Å; D487-E489 PolarHBondContact O-N 3.46Å; E489-N492 PolarHBondContact O-N 3.03Å; E489-S493 PolarHBondContact O-N 3.45Å
490H89.7Confident86.9Confident117 Ų117100.3 Ų100.354%0.54249%0.49SS..Hα-helixtrans-62.5-45.2173.1-174.5-114.9000112.4D486 D487 N492 S493 L494D486-H490 PolarHBondContact O-N 3.4Å; D487-H490 PolarHBondContact O-N 3.02Å; H490-N492 VanDerWaalsContact C-N 3.29Å; H490-N492 PolarHBondContact O-N 3.14Å; H490-S493 WeakPolarHBondContact O-CB 3.4Å; H490-S493 PolarHBondContact O-N 3.36Å; H490-L494 WeakPolarHBondContact O-CG 3.09Å; H490-L494 PolarHBondContact O-N 3.41Å
491I85.4Confident87.1Confident79 Ų79102.6 Ų102.641%0.40550%0.504SS..Hα-helixtrans-59.7-39.5174.9-71.9165.2000111.3D487 L494 R495D487-I491 WeakPolarHBondContact O-CB 3.5Å; D487-I491 VanDerWaalsContact O-CG1 3.26Å; D487-I491 WeakPolarHBondContact O-CG1 3.24Å; D487-I491 PolarHBondContact O-N 2.67Å; I491-L494 PolarHBondContact O-N 3.08Å; I491-R495 VanDerWaalsContact O-CG 3.3Å; I491-R495 WeakPolarHBondContact O-CG 3.43Å; I491-R495 PolarHBondContact O-N 2.79Å
492N86.6Confident87.2Confident74 Ų74101.3 Ų101.340%0.39650%0.495SS..Hα-helixtrans-71.3-34.3177.7-72.3-28.8000112.8A488 E489 H490 R495 Q496A488-N492 WeakPolarHBondContact O-CB 3.43Å; A488-N492 PolarHBondContact O-N 3.47Å; A488-N492 PolarHBondContact O-ND2 2.83Å; A488-N492 VanDerWaalsContact O-ND2 3.09Å; E489-N492 PolarHBondContact O-N 3.03Å; H490-N492 VanDerWaalsContact C-N 3.29Å; H490-N492 PolarHBondContact O-N 3.14Å; N492-R495 PolarHBondContact O-N 2.8Å; N492-R495 PolarHBondContact OD1-NH1 2.79Å; N492-Q496 WeakPolarHBondContact O-CG 3.44Å; N492-Q496 PolarHBondContact O-N 2.99Å; N492-Q496 VanDerWaalsContact O-N 3.1Å
493S91.5Very high87.1Confident54 Ų54100.3 Ų100.338%0.37850%0.498SS..Hα-helixtrans-61.4-48.5170-174.60000111.5E489 H490 R495 Q496 Q497E489-S493 PolarHBondContact O-N 3.45Å; H490-S493 WeakPolarHBondContact O-CB 3.4Å; H490-S493 PolarHBondContact O-N 3.36Å; S493-R495 VanDerWaalsContact C-N 3.33Å; S493-R495 PolarHBondContact O-N 3.15Å; S493-Q496 PolarHBondContact O-N 2.97Å; S493-Q496 VanDerWaalsContact O-N 3.17Å; S493-Q497 PolarHBondContact O-N 3.33Å
494L88.8Confident87.5Confident84 Ų84101.1 Ų101.144%0.4450%0.498SS..Hα-helixtrans-60.2-38.9175.7-71.2173.3000112.5H490 I491 Q497 N498H490-L494 WeakPolarHBondContact O-CG 3.09Å; H490-L494 PolarHBondContact O-N 3.41Å; I491-L494 PolarHBondContact O-N 3.08Å; L494-Q497 PolarHBondContact O-N 3.42Å; L494-N498 WeakPolarHBondContact O-CB 3.25Å; L494-N498 PolarHBondContact O-N 3.2Å
495R86.4Confident87.9Confident158 Ų158100.6 Ų100.660%0.59650%0.497SS*.Hα-helixtrans-61-43.4173.9-76.9167.8174155.9-1.5112.5I491 N492 S493 N498 Y499I491-R495 VanDerWaalsContact O-CG 3.3Å; I491-R495 WeakPolarHBondContact O-CG 3.43Å; I491-R495 PolarHBondContact O-N 2.79Å; N492-R495 PolarHBondContact O-N 2.8Å; N492-R495 PolarHBondContact OD1-NH1 2.79Å; S493-R495 VanDerWaalsContact C-N 3.33Å; S493-R495 PolarHBondContact O-N 3.15Å; R495-N498 PolarHBondContact O-N 2.86Å; R495-Y499 PolarHBondContact O-N 3.43Å
496Q88.7Confident87.7Confident139 Ų139103.4 Ų103.465%0.6551%0.505SS*.Hα-helixtrans-64.4-41.2177.1-70.9178.57.800111.8N492 S493 L500N492-Q496 WeakPolarHBondContact O-CG 3.44Å; N492-Q496 PolarHBondContact O-N 2.99Å; N492-Q496 VanDerWaalsContact O-N 3.1Å; S493-Q496 PolarHBondContact O-N 2.97Å; S493-Q496 VanDerWaalsContact O-N 3.17Å; Q496-L500 PolarHBondContact O-N 3.38Å; Q496-L500 VanDerWaalsContact O-N 3.13Å
497Q87.6Confident87.6Confident109 Ų109103.7 Ų103.751%0.50951%0.513SS..Hα-helixtrans-63.8-43.1174-67-178.98.500111.8S493 L494 L500 L501S493-Q497 PolarHBondContact O-N 3.33Å; L494-Q497 PolarHBondContact O-N 3.42Å; Q497-L500 PolarHBondContact O-N 3.05Å; Q497-L501 WeakPolarHBondContact O-CG 3.21Å; Q497-L501 PolarHBondContact O-N 3.4Å
498N86.4Confident87.2Confident87 Ų87102.1 Ų102.147%0.46551%0.512SS..Hα-helixtrans-63.2-43.4179-155.9-73.3000111.5L494 R495 L500 L501 Q502L494-N498 WeakPolarHBondContact O-CB 3.25Å; L494-N498 PolarHBondContact O-N 3.2Å; R495-N498 PolarHBondContact O-N 2.86Å; N498-L500 PolarHBondContact O-N 2.88Å; N498-L501 PolarHBondContact O-N 3Å; N498-L501 VanDerWaalsContact O-N 3.15Å; N498-Q502 WeakPolarHBondContact O-CG 3.32Å; N498-Q502 PolarHBondContact O-N 2.83Å; N498-Q502 PolarHBondContact OD1-NE2 3.04Å
499Y92.8Very high86.9Confident173 Ų173104.4 Ų104.468%0.67852%0.516SS*.Hα-helixtrans-59.4-42.4174.2-177.3-97.9000112.8R495 L501 Q502 S503R495-Y499 PolarHBondContact O-N 3.43Å; Y499-L501 VanDerWaalsContact C-N 3.35Å; Y499-L501 PolarHBondContact O-N 2.96Å; Y499-Q502 PolarHBondContact O-N 3.47Å; Y499-S503 WeakPolarHBondContact O-CB 3.37Å; Y499-S503 PolarHBondContact O-N 2.94Å
500L91.4Very high86.3Confident108 Ų108103.6 Ų103.657%0.56551%0.512SS*.Hα-helixtrans-63.4-37.6174.1-88.7165.8000112.8Q496 Q497 N498 K504Q496-L500 PolarHBondContact O-N 3.38Å; Q496-L500 VanDerWaalsContact O-N 3.13Å; Q497-L500 PolarHBondContact O-N 3.05Å; N498-L500 PolarHBondContact O-N 2.88Å; L500-K504 WeakPolarHBondContact O-CG 3.07Å; L500-K504 PolarHBondContact O-N 3.24Å
501L87.8Confident85.5Confident111 Ų111100.5 Ų100.558%0.58151%0.507SS*.Hα-helixtrans-70.7-42.9176.2-70170.4000111.9Q497 N498 Y499 S503 K504 L505Q497-L501 WeakPolarHBondContact O-CG 3.21Å; Q497-L501 PolarHBondContact O-N 3.4Å; N498-L501 PolarHBondContact O-N 3Å; N498-L501 VanDerWaalsContact O-N 3.15Å; Y499-L501 VanDerWaalsContact C-N 3.35Å; Y499-L501 PolarHBondContact O-N 2.96Å; L501-S503 VanDerWaalsContact C-N 3.32Å; L501-S503 PolarHBondContact O-N 3.24Å; L501-K504 PolarHBondContact O-N 2.84Å; L501-L505 WeakPolarHBondContact O-CB 3.46Å; L501-L505 PolarHBondContact O-N 2.6Å
502Q84.5Confident84.6Confident89 Ų89101 Ų10142%0.41651%0.511SS..Hα-helixtrans-60-40.4174.7-70.9179.424.300112.2N498 Y499 L505 R506N498-Q502 WeakPolarHBondContact O-CG 3.32Å; N498-Q502 PolarHBondContact O-N 2.83Å; N498-Q502 PolarHBondContact OD1-NE2 3.04Å; Y499-Q502 PolarHBondContact O-N 3.47Å; Q502-L505 PolarHBondContact O-N 2.6Å; Q502-R506 WeakPolarHBondContact O-CG 3.37Å; Q502-R506 PolarHBondContact O-N 3.47Å
503S86.7Confident83.7Confident71 Ų71103.5 Ų103.550%0.49752%0.52SS..Hα-helixtrans-63.8-43.7176.2-176.50000112.1Y499 L501 S507Y499-S503 WeakPolarHBondContact O-CB 3.37Å; Y499-S503 PolarHBondContact O-N 2.94Å; L501-S503 VanDerWaalsContact C-N 3.32Å; L501-S503 PolarHBondContact O-N 3.24Å; S503-S507 WeakPolarHBondContact O-CB 3.11Å; S503-S507 PolarHBondContact O-N 2.99Å; S503-S507 VanDerWaalsContact O-N 3.14Å
504K89.2Confident82.6Confident146 Ų146108 Ų10864%0.63553%0.528SS*.Hα-helixtrans-64.2-38.7173.6-73.5178.9179-175.90112.8L500 L501 S507 A508L500-K504 WeakPolarHBondContact O-CG 3.07Å; L500-K504 PolarHBondContact O-N 3.24Å; L501-K504 PolarHBondContact O-N 2.84Å; K504-S507 PolarHBondContact O-N 3.5Å; K504-A508 PolarHBondContact O-N 2.95Å; K504-A508 VanDerWaalsContact O-N 3.07Å
505L86.1Confident81.3Confident99 Ų99113.1 Ų113.152%0.51854%0.542SS..Hα-helixtrans-62.2-52.9178.4-178.462000110.7L501 Q502 S507 A508 E509L501-L505 WeakPolarHBondContact O-CB 3.46Å; L501-L505 PolarHBondContact O-N 2.6Å; Q502-L505 PolarHBondContact O-N 2.6Å; L505-S507 VanDerWaalsContact C-N 3.28Å; L505-S507 PolarHBondContact O-N 3Å; L505-A508 WeakPolarHBondContact O-CA 3.4Å; L505-A508 WeakPolarHBondContact O-CB 3.5Å; L505-A508 PolarHBondContact O-N 3.4Å; L505-E509 HydrophobicContact CD1-CG 4.29Å; L505-E509 HydrophobicContact CG-CG 4.34Å; L505-E509 WeakPolarHBondContact CG-OE1 2.99Å; L505-E509 WeakPolarHBondContact O-CG 3.28Å; L505-E509 PolarHBondContact O-N 2.84Å
506R85.4Confident79.6Confident159 Ų159115 Ų11560%0.655%0.549SS*.Hα-helixtrans-57.9-40.4177-67.2-176.3-165.9-175.45.8112.7Q502 A508 E509 E510Q502-R506 WeakPolarHBondContact O-CG 3.37Å; Q502-R506 PolarHBondContact O-N 3.47Å; R506-A508 VanDerWaalsContact C-N 3.3Å; R506-A508 PolarHBondContact O-N 2.9Å; R506-E509 WeakPolarHBondContact CA-OE2 3.35Å; R506-E509 PolarHBondContact O-N 3.48Å; R506-E510 WeakPolarHBondContact O-CB 3.37Å; R506-E510 WeakPolarHBondContact O-CG 3.35Å; R506-E510 PolarHBondContact O-N 2.86Å
507S83.4Confident78.1Confident79 Ų79115.4 Ų115.455%0.55256%0.555SS**Hα-helixtrans-60.6-37.8175.9-168.50000112.6S503 K504 L505 A511S503-S507 WeakPolarHBondContact O-CB 3.11Å; S503-S507 PolarHBondContact O-N 2.99Å; S503-S507 VanDerWaalsContact O-N 3.14Å; K504-S507 PolarHBondContact O-N 3.5Å; L505-S507 VanDerWaalsContact C-N 3.28Å; L505-S507 PolarHBondContact O-N 3Å; S507-A511 WeakPolarHBondContact O-CB 3.46Å; S507-A511 PolarHBondContact O-N 3.25Å
508A77.4Confident76.4Confident60 Ų60118.5 Ų118.550%0.49657%0.569SS.*Hα-helixtrans-75.2-39.3174.200000112.9K504 L505 R506 A511 N512K504-A508 PolarHBondContact O-N 2.95Å; K504-A508 VanDerWaalsContact O-N 3.07Å; L505-A508 WeakPolarHBondContact O-CA 3.4Å; L505-A508 WeakPolarHBondContact O-CB 3.5Å; L505-A508 PolarHBondContact O-N 3.4Å; R506-A508 VanDerWaalsContact C-N 3.3Å; R506-A508 PolarHBondContact O-N 2.9Å; A508-A511 PolarHBondContact O-N 2.91Å; A508-N512 WeakPolarHBondContact O-CB 3.33Å; A508-N512 PolarHBondContact O-N 2.83Å
509E78.1Confident74.9Confident91 Ų91118 Ų11843%0.42558%0.578SS.*Hα-helixtrans-61.7-48176.2-70.8167156.700111.2L505 R506 A511 N512 Q513L505-E509 HydrophobicContact CD1-CG 4.29Å; L505-E509 HydrophobicContact CG-CG 4.34Å; L505-E509 WeakPolarHBondContact CG-OE1 2.99Å; L505-E509 WeakPolarHBondContact O-CG 3.28Å; L505-E509 PolarHBondContact O-N 2.84Å; R506-E509 WeakPolarHBondContact CA-OE2 3.35Å; R506-E509 PolarHBondContact O-N 3.48Å; E509-A511 VanDerWaalsContact C-N 3.32Å; E509-A511 PolarHBondContact O-N 3.38Å; E509-N512 PolarHBondContact O-N 3.21Å; E509-N512 VanDerWaalsContact O-N 3.16Å; E509-Q513 WeakPolarHBondContact O-CG 3.44Å; E509-Q513 PolarHBondContact O-N 3.48Å
510E77.8Confident72.6Confident89 Ų89113.1 Ų113.142%0.41657%0.573SS.*Hα-helixtrans-60.4-39.8174.3-74.3-176.6-147.200112.5R506 N512 R514R506-E510 WeakPolarHBondContact O-CB 3.37Å; R506-E510 WeakPolarHBondContact O-CG 3.35Å; R506-E510 PolarHBondContact O-N 2.86Å; E510-N512 VanDerWaalsContact C-N 3.3Å; E510-N512 PolarHBondContact O-N 3.31Å; E510-R514 VanDerWaalsContact O-CG 3.28Å; E510-R514 WeakPolarHBondContact O-CG 3.37Å; E510-R514 PolarHBondContact O-N 2.94Å; E510-R514 IonicContact OE2-CZ 3.88Å; E510-R514 VanDerWaalsContact OE2-CZ 3.31Å; E510-R514 IonicContact OE2-NH1 2.73Å; E510-R514 PolarHBondContact OE2-NH1 3.43Å; E510-R514 IonicContact OE2-NH2 3.31Å; E510-R514 PolarHBondContact OE2-NH2 3.47Å
511A73.1Confident70.9Confident52 Ų52113.8 Ų113.843%0.4358%0.577SS.*Hα-helixtrans-66.4-33.5177.100000112.1S507 A508 E509 R515S507-A511 WeakPolarHBondContact O-CB 3.46Å; S507-A511 PolarHBondContact O-N 3.25Å; A508-A511 PolarHBondContact O-N 2.91Å; E509-A511 VanDerWaalsContact C-N 3.32Å; E509-A511 PolarHBondContact O-N 3.38Å; A511-R515 PolarHBondContact O-N 3.48Å
512N65.8Low69.5Low90 Ų90113.1 Ų113.148%0.48158%0.579SS.*Hα-helixtrans-75.8-41.3176.7-156.728000111.7A508 E509 E510 R514 R515 W516A508-N512 WeakPolarHBondContact O-CB 3.33Å; A508-N512 PolarHBondContact O-N 2.83Å; E509-N512 PolarHBondContact O-N 3.21Å; E509-N512 VanDerWaalsContact O-N 3.16Å; E510-N512 VanDerWaalsContact C-N 3.3Å; E510-N512 PolarHBondContact O-N 3.31Å; N512-R514 VanDerWaalsContact C-N 3.33Å; N512-R514 PolarHBondContact O-N 3.2Å; N512-R515 WeakPolarHBondContact O-CB 3.42Å; N512-R515 PolarHBondContact O-N 3.3Å; N512-R515 VanDerWaalsContact O-N 3.15Å; N512-W516 PolarHBondContact O-N 2.84Å; N512-W516 VanDerWaalsContact O-N 3.13Å
513Q69.6Low68.2Low125 Ų125112.7 Ų112.758%0.58459%0.591SS**Hα-helixtrans-60.9-40.1175-73.7172.3-2.200112.2E509 R515 W516 L517E509-Q513 WeakPolarHBondContact O-CG 3.44Å; E509-Q513 PolarHBondContact O-N 3.48Å; Q513-R515 VanDerWaalsContact C-N 3.32Å; Q513-R515 PolarHBondContact O-N 3Å; Q513-W516 PolarHBondContact O-N 3.16Å; Q513-L517 PolarHBondContact O-N 2.87Å; Q513-L517 VanDerWaalsContact O-N 3.13Å
514R66.8Low66.8Low148 Ų148112.1 Ų112.156%0.55858%0.584SS**Hα-helixtrans-59.5-40.1173.8-73.5169.5-174.4121.712.1112.1E510 N512 E518E510-R514 VanDerWaalsContact O-CG 3.28Å; E510-R514 WeakPolarHBondContact O-CG 3.37Å; E510-R514 PolarHBondContact O-N 2.94Å; E510-R514 IonicContact OE2-CZ 3.88Å; E510-R514 VanDerWaalsContact OE2-CZ 3.31Å; E510-R514 IonicContact OE2-NH1 2.73Å; E510-R514 PolarHBondContact OE2-NH1 3.43Å; E510-R514 IonicContact OE2-NH2 3.31Å; E510-R514 PolarHBondContact OE2-NH2 3.47Å; N512-R514 VanDerWaalsContact C-N 3.33Å; N512-R514 PolarHBondContact O-N 3.2Å; R514-E518 PolarHBondContact O-N 3.49Å
515R62.2Low65.5Low192 Ų192109.8 Ų109.873%0.72558%0.576SS**Hα-helixtrans-65.4-36.6174.4-86.3-176.4171179.8-2.8114A511 N512 Q513A511-R515 PolarHBondContact O-N 3.48Å; N512-R515 WeakPolarHBondContact O-CB 3.42Å; N512-R515 PolarHBondContact O-N 3.3Å; N512-R515 VanDerWaalsContact O-N 3.15Å; Q513-R515 VanDerWaalsContact C-N 3.32Å; Q513-R515 PolarHBondContact O-N 3Å
516W51.4Low64.7Low199 Ų199110.6 Ų110.675%0.75458%0.581SS**Hα-helixtrans-70.2-36.7178.7-88.883.5000112.4N512 Q513 E518 A519N512-W516 PolarHBondContact O-N 2.84Å; N512-W516 VanDerWaalsContact O-N 3.13Å; Q513-W516 PolarHBondContact O-N 3.16Å; W516-E518 VanDerWaalsContact C-N 3.3Å; W516-E518 PolarHBondContact O-N 2.85Å; W516-A519 PolarHBondContact O-N 2.91Å
517L56.3Low64.2Low146 Ų146110.1 Ų110.176%0.76458%0.583SS**Hα-helixtrans-70.2-21.2178.9-81.7160.1000114.4Q513 A519Q513-L517 PolarHBondContact O-N 2.87Å; Q513-L517 VanDerWaalsContact O-N 3.13Å; L517-A519 VanDerWaalsContact C-N 3.33Å
518E53.2Low63.8Low175 Ų175110.1 Ų110.182%0.81858%0.576SS**THydrogen-bonded Turntrans-85.70.1176.4-69.4-177.2141.100113.7R514 W516R514-E518 PolarHBondContact O-N 3.49Å; W516-E518 VanDerWaalsContact C-N 3.3Å; W516-E518 PolarHBondContact O-N 2.85Å
519A54.8Low64Low77 Ų77112.1 Ų112.164%0.63658%0.575SS**  trans-126.120.2-168.200000115.2W516 L517 D521W516-A519 PolarHBondContact O-N 2.91Å; L517-A519 VanDerWaalsContact C-N 3.33Å; A519-D521 PolarHBondContact O-N 2.94Å
520A44.7Very low64.1Low70 Ų70113.5 Ų113.558%0.57959%0.585SS**  trans-86.1104.7-176.400000113.2
521D55.3Low64.4Low121 Ų121114.5 Ų114.565%0.64759%0.592SS**  trans-83.3142.5165.6-116.7-26.1000110.2A519 A523 T524A519-D521 PolarHBondContact O-N 2.94Å; D521-A523 PolarHBondContact O-N 3.44Å; D521-T524 WeakPolarHBondContact O-CB 3.41Å; D521-T524 PolarHBondContact O-N 2.82Å; D521-T524 PolarHBondContact O-OG1 2.85Å
522P58.4Low64.9Low97 Ų97116 Ų11663%0.6359%0.59SS**Hα-helixtrans-66.2-12.9-171.627-35.2000114.5T524 E525P522-T524 VanDerWaalsContact C-N 3.27Å; P522-E525 WeakPolarHBondContact O-CB 3.28Å; P522-E525 PolarHBondContact O-N 3.25Å
523A55.6Low66.1Low80 Ų80117.3 Ų117.366%0.66159%0.591SS**Hα-helixtrans-78.4-9.3172.200000113.6D521D521-A523 PolarHBondContact O-N 3.44Å
524T58.8Low67Low59 Ų59116.5 Ų116.536%0.36259%0.587SS.*Hα-helixtrans-86.3-26.3167.863.70000112.2D521 P522 D526 K527 I528D521-T524 WeakPolarHBondContact O-CB 3.41Å; D521-T524 PolarHBondContact O-N 2.82Å; D521-T524 PolarHBondContact O-OG1 2.85Å; P522-T524 VanDerWaalsContact C-N 3.27Å; T524-D526 PolarHBondContact O-N 3.17Å; T524-K527 WeakPolarHBondContact O-CB 3.36Å; T524-K527 PolarHBondContact O-N 3.45Å; T524-I528 WeakPolarHBondContact O-CG1 3.18Å; T524-I528 PolarHBondContact O-N 2.9Å
525E60.9Low68Low98 Ų98113.9 Ų113.946%0.45858%0.583SS.*Hα-helixtrans-52.5-47.1-177-157.782.5-14000112.7P522 K527 I528 Q529P522-E525 WeakPolarHBondContact O-CB 3.28Å; P522-E525 PolarHBondContact O-N 3.25Å; E525-K527 VanDerWaalsContact C-N 3.34Å; E525-K527 PolarHBondContact O-N 3.35Å; E525-I528 CarbonylContact O-C 3.58Å; E525-I528 PolarHBondContact O-N 2.9Å; E525-Q529 WeakPolarHBondContact O-CG 3.41Å; E525-Q529 PolarHBondContact O-N 2.98Å
526D70.4Confident69.4Low116 Ų116109.7 Ų109.762%0.6257%0.57SS**Hα-helixtrans-67.8-33.4-179.9-71.2-24.3000112.7T524 Q529 L530T524-D526 PolarHBondContact O-N 3.17Å; D526-Q529 PolarHBondContact OD1-NE2 2.84Å; D526-L530 PolarHBondContact O-N 3.33Å
527K73.4Confident71.3Confident149 Ų149105 Ų10565%0.64856%0.556SS**Hα-helixtrans-72.4-38174.3-65.7179.1-178.9174.70110.7T524 E525 L530 I531T524-K527 WeakPolarHBondContact O-CB 3.36Å; T524-K527 PolarHBondContact O-N 3.45Å; E525-K527 VanDerWaalsContact C-N 3.34Å; E525-K527 PolarHBondContact O-N 3.35Å; K527-L530 PolarHBondContact O-N 2.81Å; K527-I531 WeakPolarHBondContact O-CB 3.37Å; K527-I531 VanDerWaalsContact O-CG1 3.26Å; K527-I531 WeakPolarHBondContact O-CG1 3.46Å; K527-I531 PolarHBondContact O-N 2.89Å
528I75.4Confident72.9Confident78 Ų78103.3 Ų103.340%0.454%0.544SS..Hα-helixtrans-64-41.8173.3-68.6164.3000110.1T524 E525 L530 I531 E532T524-I528 WeakPolarHBondContact O-CG1 3.18Å; T524-I528 PolarHBondContact O-N 2.9Å; E525-I528 CarbonylContact O-C 3.58Å; E525-I528 PolarHBondContact O-N 2.9Å; I528-L530 PolarHBondContact O-N 3.33Å; I528-I531 PolarHBondContact O-N 3.38Å; I528-E532 WeakPolarHBondContact O-CB 3.45Å; I528-E532 WeakPolarHBondContact O-CG 3.34Å; I528-E532 PolarHBondContact O-N 3.44Å
529Q81.4Confident74.8Confident103 Ų10398.8 Ų98.848%0.48152%0.523SS..Hα-helixtrans-63.8-38.5174.1-75.6174.665.200112.9E525 D526 E532 K533E525-Q529 WeakPolarHBondContact O-CG 3.41Å; E525-Q529 PolarHBondContact O-N 2.98Å; D526-Q529 PolarHBondContact OD1-NE2 2.84Å; Q529-E532 PolarHBondContact O-N 2.83Å; Q529-K533 WeakPolarHBondContact O-CB 3.19Å; Q529-K533 PolarHBondContact O-N 2.88Å
530L81.3Confident76.6Confident119 Ų119101.7 Ų101.762%0.62353%0.525SS*.Hα-helixtrans-66-44.7174.5-175.962.3000111.5D526 K527 I528 K533 E534D526-L530 PolarHBondContact O-N 3.33Å; K527-L530 PolarHBondContact O-N 2.81Å; I528-L530 PolarHBondContact O-N 3.33Å; L530-K533 PolarHBondContact O-N 2.73Å; L530-E534 PolarHBondContact O-N 2.99Å
531I82.7Confident79.1Confident110 Ų110103.2 Ų103.256%0.56452%0.523SS*.Hα-helixtrans-65-39.8175.4-68.9165000110.8K527 I528 K533 E534 M535K527-I531 WeakPolarHBondContact O-CB 3.37Å; K527-I531 VanDerWaalsContact O-CG1 3.26Å; K527-I531 WeakPolarHBondContact O-CG1 3.46Å; K527-I531 PolarHBondContact O-N 2.89Å; I528-I531 PolarHBondContact O-N 3.38Å; I531-K533 VanDerWaalsContact C-N 3.31Å; I531-K533 PolarHBondContact O-N 3Å; I531-E534 PolarHBondContact O-N 2.85Å; I531-M535 WeakPolarHBondContact O-CB 3.46Å; I531-M535 PolarHBondContact O-N 2.91Å
532E84.3Confident80.9Confident85 Ų85102.9 Ų102.940%0.39752%0.521SS..Hα-helixtrans-60.6-40.1172.4-87.9-155166.100111.6I528 Q529 M535 K536I528-E532 WeakPolarHBondContact O-CB 3.45Å; I528-E532 WeakPolarHBondContact O-CG 3.34Å; I528-E532 PolarHBondContact O-N 3.44Å; Q529-E532 PolarHBondContact O-N 2.83Å; E532-M535 PolarHBondContact O-N 3.47Å; E532-K536 WeakPolarHBondContact O-CB 3.29Å; E532-K536 VanDerWaalsContact O-CD 3.23Å; E532-K536 WeakPolarHBondContact O-CD 3.32Å; E532-K536 WeakPolarHBondContact O-CG 3.36Å; E532-K536 PolarHBondContact O-N 3.41Å; E532-K536 IonicContact OE2-NZ 2.84Å; E532-K536 PolarHBondContact OE2-NZ 3.42Å
533K90.5Very high82.6Confident116 Ų116103.2 Ų103.250%0.50451%0.512SS..Hα-helixtrans-67-46.4178-175.7176.4179.7-74.30110.9Q529 L530 I531 M535 K536 E537Q529-K533 WeakPolarHBondContact O-CB 3.19Å; Q529-K533 PolarHBondContact O-N 2.88Å; L530-K533 PolarHBondContact O-N 2.73Å; I531-K533 VanDerWaalsContact C-N 3.31Å; I531-K533 PolarHBondContact O-N 3Å; K533-M535 VanDerWaalsContact C-N 3.34Å; K533-M535 PolarHBondContact O-N 3.5Å; K533-K536 PolarHBondContact O-N 3.35Å; K533-E537 WeakPolarHBondContact CE-OE1 3.38Å; K533-E537 IonicContact NZ-OE1 3.55Å; K533-E537 PolarHBondContact NZ-OE1 2.96Å; K533-E537 WeakPolarHBondContact O-CG 3.27Å; K533-E537 PolarHBondContact O-N 3.48Å
534E89.7Confident84.4Confident108 Ų108101.1 Ų101.151%0.50550%0.498SS..Hα-helixtrans-61.5-43.1174.6-168.8-179.7165.100111.3L530 I531 K536 E537 Q538L530-E534 PolarHBondContact O-N 2.99Å; I531-E534 PolarHBondContact O-N 2.85Å; E534-K536 VanDerWaalsContact C-N 3.35Å; E534-K536 PolarHBondContact O-N 3.14Å; E534-E537 PolarHBondContact O-N 3.45Å; E534-Q538 HydrophobicContact CG-CG 4.39Å; E534-Q538 WeakPolarHBondContact O-CB 3.29Å; E534-Q538 WeakPolarHBondContact O-CG 3.41Å; E534-Q538 PolarHBondContact O-N 3.33Å; E534-Q538 PolarHBondContact OE1-NE2 3.1Å
535M88Confident86.2Confident93 Ų93104.4 Ų104.446%0.45851%0.505SS..Hα-helixtrans-61.7-39.6175.6-172.6-18075.300112I531 E532 K533 Q538 E539I531-M535 WeakPolarHBondContact O-CB 3.46Å; I531-M535 PolarHBondContact O-N 2.91Å; E532-M535 PolarHBondContact O-N 3.47Å; K533-M535 VanDerWaalsContact C-N 3.34Å; K533-M535 PolarHBondContact O-N 3.5Å; M535-Q538 PolarHBondContact O-N 3.17Å; M535-E539 VanDerWaalsContact O-CB 3.28Å; M535-E539 WeakPolarHBondContact O-CB 3.48Å; M535-E539 WeakPolarHBondContact O-CG 3.35Å; M535-E539 PolarHBondContact O-N 2.86Å
536K91.3Very high87.7Confident104 Ų104106 Ų10645%0.45251%0.512SS..Hα-helixtrans-67.5-34.7174.8-72158.7-1641690112.2E532 K533 E534 M540E532-K536 WeakPolarHBondContact O-CB 3.29Å; E532-K536 VanDerWaalsContact O-CD 3.23Å; E532-K536 WeakPolarHBondContact O-CD 3.32Å; E532-K536 WeakPolarHBondContact O-CG 3.36Å; E532-K536 PolarHBondContact O-N 3.41Å; E532-K536 IonicContact OE2-NZ 2.84Å; E532-K536 PolarHBondContact OE2-NZ 3.42Å; K533-K536 PolarHBondContact O-N 3.35Å; E534-K536 VanDerWaalsContact C-N 3.35Å; E534-K536 PolarHBondContact O-N 3.14Å; K536-M540 WeakPolarHBondContact O-CB 3.32Å; K536-M540 PolarHBondContact O-N 3.02Å
537E91.9Very high88.8Confident100 Ų100106.9 Ų106.947%0.46751%0.513SS..Hα-helixtrans-71-44173.9-72.9171.2-162.600111.5K533 E534 M540 L541K533-E537 WeakPolarHBondContact CE-OE1 3.38Å; K533-E537 IonicContact NZ-OE1 3.55Å; K533-E537 PolarHBondContact NZ-OE1 2.96Å; K533-E537 WeakPolarHBondContact O-CG 3.27Å; K533-E537 PolarHBondContact O-N 3.48Å; E534-E537 PolarHBondContact O-N 3.45Å; E537-M540 WeakPolarHBondContact O-CB 3.46Å; E537-M540 PolarHBondContact O-N 3.49Å; E537-L541 PolarHBondContact O-N 3.13Å
538Q89.8Confident89.7Confident112 Ų112104.9 Ų104.952%0.52351%0.506SS..Hα-helixtrans-64-40.8173.2-69.4-177.417.500112E534 M535 M540 L541 L542E534-Q538 HydrophobicContact CG-CG 4.39Å; E534-Q538 WeakPolarHBondContact O-CB 3.29Å; E534-Q538 WeakPolarHBondContact O-CG 3.41Å; E534-Q538 PolarHBondContact O-N 3.33Å; E534-Q538 PolarHBondContact OE1-NE2 3.1Å; M535-Q538 PolarHBondContact O-N 3.17Å; Q538-M540 VanDerWaalsContact C-N 3.33Å; Q538-M540 PolarHBondContact O-N 3.09Å; Q538-L541 PolarHBondContact O-N 2.61Å; Q538-L542 WeakPolarHBondContact O-CB 3.38Å; Q538-L542 PolarHBondContact O-N 2.91Å
539E91.8Very high90.5Very high79 Ų79106 Ų10637%0.36951%0.513SS..Hα-helixtrans-60.2-40.4172.2-90.3-168.7-136.400112.1M535 L542 K543M535-E539 VanDerWaalsContact O-CB 3.28Å; M535-E539 WeakPolarHBondContact O-CB 3.48Å; M535-E539 WeakPolarHBondContact O-CG 3.35Å; M535-E539 PolarHBondContact O-N 2.86Å; E539-L542 PolarHBondContact O-N 3.23Å; E539-K543 WeakPolarHBondContact O-CB 3.39Å; E539-K543 VanDerWaalsContact O-CD 3.32Å; E539-K543 WeakPolarHBondContact O-CD 3.27Å; E539-K543 WeakPolarHBondContact O-CG 3.38Å; E539-K543 PolarHBondContact O-N 3.44Å; E539-K543 IonicContact OE2-NZ 2.6Å; E539-K543 PolarHBondContact OE2-NZ 3.03Å
540M93.8Very high91.2Very high138 Ų138107.3 Ų107.368%0.6852%0.519SS*.Hα-helixtrans-64.5-43.9177.7-168.8-172.8-54.300110.8K536 E537 Q538 K543 G544K536-M540 WeakPolarHBondContact O-CB 3.32Å; K536-M540 PolarHBondContact O-N 3.02Å; E537-M540 WeakPolarHBondContact O-CB 3.46Å; E537-M540 PolarHBondContact O-N 3.49Å; Q538-M540 VanDerWaalsContact C-N 3.33Å; Q538-M540 PolarHBondContact O-N 3.09Å; M540-K543 PolarHBondContact O-N 3.07Å; M540-G544 PolarHBondContact O-N 3.49Å
541L95.4Very high91.9Very high103 Ų103108.1 Ų108.154%0.53952%0.517SS..Hα-helixtrans-64-43.1175.2-176.362.3000111.8E537 Q538 K543 G544 Y545E537-L541 PolarHBondContact O-N 3.13Å; Q538-L541 PolarHBondContact O-N 2.61Å; L541-K543 PolarHBondContact O-N 2.95Å; L541-G544 PolarHBondContact O-N 3.38Å; L541-Y545 HydrophobicContact CD1-CD2 4.11Å; L541-Y545 HydrophobicContact CD1-CE2 3.62Å; L541-Y545 HydrophobicContact CD2-CE2 4.09Å; L541-Y545 HydrophobicContact CG-CD2 3.93Å; L541-Y545 HydrophobicContact CG-CE2 3.62Å; L541-Y545 WeakPolarHBondContact O-CD2 3.5Å; L541-Y545 PolarHBondContact O-N 3.29Å
542L94.5Very high92.4Very high114 Ų114107 Ų10760%0.59751%0.512SS*.Hα-helixtrans-63-41.9177.1-160.780.8000111.5Q538 E539 G544 Y545 Q546Q538-L542 WeakPolarHBondContact O-CB 3.38Å; Q538-L542 PolarHBondContact O-N 2.91Å; E539-L542 PolarHBondContact O-N 3.23Å; L542-G544 VanDerWaalsContact C-N 3.33Å; L542-Y545 PolarHBondContact O-N 3.37Å; L542-Q546 VanDerWaalsContact O-CB 3.28Å; L542-Q546 WeakPolarHBondContact O-CB 3.38Å; L542-Q546 PolarHBondContact O-N 3.36Å
543K94.6Very high93Very high104 Ų104108.8 Ų108.845%0.45252%0.516SS..Hα-helixtrans-63.6-38.2173.9-72.6160.8-167.6164.70111.6E539 M540 L541 Q546 Q547E539-K543 WeakPolarHBondContact O-CB 3.39Å; E539-K543 VanDerWaalsContact O-CD 3.32Å; E539-K543 WeakPolarHBondContact O-CD 3.27Å; E539-K543 WeakPolarHBondContact O-CG 3.38Å; E539-K543 PolarHBondContact O-N 3.44Å; E539-K543 IonicContact OE2-NZ 2.6Å; E539-K543 PolarHBondContact OE2-NZ 3.03Å; M540-K543 PolarHBondContact O-N 3.07Å; L541-K543 PolarHBondContact O-N 2.95Å; K543-Q546 PolarHBondContact O-N 3.41Å; K543-Q547 VanDerWaalsContact O-CG 3.31Å; K543-Q547 WeakPolarHBondContact O-CG 3.38Å; K543-Q547 PolarHBondContact O-N 3.25Å
544G93.4Very high93.3Very high35 Ų35107.6 Ų107.636%0.36152%0.518SS..Hα-helixtrans-59.9-54.8171.900000112.2M540 L541 L542 Q546 Q547 E548M540-G544 PolarHBondContact O-N 3.49Å; L541-G544 PolarHBondContact O-N 3.38Å; L542-G544 VanDerWaalsContact C-N 3.33Å; G544-Q546 VanDerWaalsContact C-N 3.27Å; G544-Q546 PolarHBondContact O-N 3.43Å; G544-Q547 PolarHBondContact O-N 3.47Å; G544-E548 PolarHBondContact O-N 3.32Å
545Y95Very high93.5Very high128 Ų128107.7 Ų107.750%0.50252%0.518SS..Hα-helixtrans-61.6-32.7175.9-74.8-52000113L541 L542 E548 N549L541-Y545 HydrophobicContact CD1-CD2 4.11Å; L541-Y545 HydrophobicContact CD1-CE2 3.62Å; L541-Y545 HydrophobicContact CD2-CE2 4.09Å; L541-Y545 HydrophobicContact CG-CD2 3.93Å; L541-Y545 HydrophobicContact CG-CE2 3.62Å; L541-Y545 WeakPolarHBondContact O-CD2 3.5Å; L541-Y545 PolarHBondContact O-N 3.29Å; L542-Y545 PolarHBondContact O-N 3.37Å; Y545-E548 PolarHBondContact O-N 3.3Å; Y545-N549 VanDerWaalsContact O-CB 3.26Å; Y545-N549 WeakPolarHBondContact O-CB 3.39Å; Y545-N549 VanDerWaalsContact O-CG 3.3Å; Y545-N549 PolarHBondContact O-N 2.9Å; Y545-N549 PolarHBondContact O-ND2 3.42Å
546Q92.7Very high93.8Very high131 Ų131108.8 Ų108.861%0.61252%0.524SS*.Hα-helixtrans-71.5-37.9177.9-170.3163.4-5.200111.9L542 K543 G544 E550L542-Q546 VanDerWaalsContact O-CB 3.28Å; L542-Q546 WeakPolarHBondContact O-CB 3.38Å; L542-Q546 PolarHBondContact O-N 3.36Å; K543-Q546 PolarHBondContact O-N 3.41Å; G544-Q546 VanDerWaalsContact C-N 3.27Å; G544-Q546 PolarHBondContact O-N 3.43Å; Q546-E550 WeakPolarHBondContact O-CB 3.44Å; Q546-E550 PolarHBondContact O-N 3.49Å
547Q94.2Very high94Very high136 Ų136108.7 Ų108.764%0.63652%0.523SS*.Hα-helixtrans-65.6-40.8171.3-71.3171.420.800112K543 G544 E550 K551K543-Q547 VanDerWaalsContact O-CG 3.31Å; K543-Q547 WeakPolarHBondContact O-CG 3.38Å; K543-Q547 PolarHBondContact O-N 3.25Å; G544-Q547 PolarHBondContact O-N 3.47Å; Q547-E550 PolarHBondContact O-N 2.96Å; Q547-K551 WeakPolarHBondContact O-CB 3.46Å; Q547-K551 PolarHBondContact O-N 2.79Å
548E93Very high94.1Very high107 Ų107106.4 Ų106.450%0.552%0.521SS..Hα-helixtrans-66.1-44.7176.2-175.7165.7-139.200111.7G544 Y545 E550 K551 L552G544-E548 PolarHBondContact O-N 3.32Å; Y545-E548 PolarHBondContact O-N 3.3Å; E548-E550 PolarHBondContact O-N 3.46Å; E548-K551 PolarHBondContact O-N 3.4Å; E548-L552 HydrophobicContact CG-CD1 4.03Å; E548-L552 HydrophobicContact CG-CG 4.44Å; E548-L552 WeakPolarHBondContact O-CB 3.3Å; E548-L552 VanDerWaalsContact O-CG 3.29Å; E548-L552 WeakPolarHBondContact O-CG 3.27Å; E548-L552 PolarHBondContact O-N 3.4Å
549N91.9Very high94.2Very high101 Ų101105.7 Ų105.754%0.5452%0.518SS..Hα-helixtrans-64.2-38.4174.9-78.7-56.5000112.5Y545 L552 Y553Y545-N549 VanDerWaalsContact O-CB 3.26Å; Y545-N549 WeakPolarHBondContact O-CB 3.39Å; Y545-N549 VanDerWaalsContact O-CG 3.3Å; Y545-N549 PolarHBondContact O-N 2.9Å; Y545-N549 PolarHBondContact O-ND2 3.42Å; N549-L552 PolarHBondContact O-N 2.81Å; N549-Y553 WeakPolarHBondContact O-CB 3.44Å; N549-Y553 PolarHBondContact O-N 2.94Å
550E94.8Very high94.2Very high130 Ų130108.1 Ų108.161%0.60753%0.53SS*.Hα-helixtrans-63.4-45.9173.8-177.4171.7-159.800111.1Q546 Q547 E548 Y553 V554Q546-E550 WeakPolarHBondContact O-CB 3.44Å; Q546-E550 PolarHBondContact O-N 3.49Å; Q547-E550 PolarHBondContact O-N 2.96Å; E548-E550 PolarHBondContact O-N 3.46Å; E550-Y553 PolarHBondContact O-N 3.41Å; E550-V554 WeakPolarHBondContact O-CG2 3.45Å; E550-V554 PolarHBondContact O-N 3.4Å
551K96.3Very high94.1Very high137 Ų137105.1 Ų105.160%0.59652%0.522SS*.Hα-helixtrans-58.3-50.2174.5-178.3-164.4166.9-158.60111.4Q547 E548 Y553 V554 E555Q547-K551 WeakPolarHBondContact O-CB 3.46Å; Q547-K551 PolarHBondContact O-N 2.79Å; E548-K551 PolarHBondContact O-N 3.4Å; K551-Y553 VanDerWaalsContact C-N 3.28Å; K551-Y553 PolarHBondContact O-N 2.91Å; K551-V554 PolarHBondContact O-N 2.81Å; K551-E555 WeakPolarHBondContact O-CB 3.43Å; K551-E555 PolarHBondContact O-N 3.1Å
552L94.6Very high94Very high85 Ų85107 Ų10745%0.44552%0.522SS..Hα-helixtrans-62.1-34.8178.3-72.4171.2000112E548 N549 E555 M556E548-L552 HydrophobicContact CG-CD1 4.03Å; E548-L552 HydrophobicContact CG-CG 4.44Å; E548-L552 WeakPolarHBondContact O-CB 3.3Å; E548-L552 VanDerWaalsContact O-CG 3.29Å; E548-L552 WeakPolarHBondContact O-CG 3.27Å; E548-L552 PolarHBondContact O-N 3.4Å; N549-L552 PolarHBondContact O-N 2.81Å; L552-E555 PolarHBondContact O-N 3.38Å; L552-M556 WeakPolarHBondContact O-CB 3.12Å; L552-M556 PolarHBondContact O-N 2.86Å
553Y96.4Very high93.8Very high124 Ų124105 Ų10549%0.48652%0.518SS..Hα-helixtrans-71.9-35.6175.8-173.8-109.1000112.8N549 E550 K551 M556 K557N549-Y553 WeakPolarHBondContact O-CB 3.44Å; N549-Y553 PolarHBondContact O-N 2.94Å; E550-Y553 PolarHBondContact O-N 3.41Å; K551-Y553 VanDerWaalsContact C-N 3.28Å; K551-Y553 PolarHBondContact O-N 2.91Å; Y553-M556 HydrophobicContact CD2-CE 4.32Å; Y553-M556 HydrophobicContact CD2-SD 4.41Å; Y553-K557 HydrophobicContact CD1-CD 4.44Å; Y553-K557 HydrophobicContact CE1-CD 3.99Å; Y553-K557 VanDerWaalsContact CE1-CE 3.47Å; Y553-K557 WeakPolarHBondContact O-CB 3.23Å; Y553-K557 PolarHBondContact O-N 2.85Å; Y553-K557 WeakPolarHBondContact OH-CE 3.46Å; Y553-K557 PolarHBondContact OH-NZ 3.32Å
554V95.5Very high93.8Very high90 Ų90105.7 Ų105.755%0.54552%0.521SS..Hα-helixtrans-66.8-42.9170.7170.10000111E550 K551 K557 A558E550-V554 WeakPolarHBondContact O-CG2 3.45Å; E550-V554 PolarHBondContact O-N 3.4Å; K551-V554 PolarHBondContact O-N 2.81Å; V554-K557 PolarHBondContact O-N 3.49Å; V554-A558 WeakPolarHBondContact O-CB 3.35Å; V554-A558 PolarHBondContact O-N 3.3Å
555E93.8Very high93.8Very high110 Ų110106.4 Ų106.451%0.51452%0.523SS..Hα-helixtrans-65.9-44.1177.9-170.6161.3-170.500111.7K551 L552 K557 A558 E559K551-E555 WeakPolarHBondContact O-CB 3.43Å; K551-E555 PolarHBondContact O-N 3.1Å; L552-E555 PolarHBondContact O-N 3.38Å; E555-K557 VanDerWaalsContact C-N 3.35Å; E555-K557 PolarHBondContact O-N 3.21Å; E555-A558 WeakPolarHBondContact O-CB 3.21Å; E555-A558 PolarHBondContact O-N 3.02Å; E555-E559 PolarHBondContact O-N 2.95Å
556M95.9Very high93.6Very high117 Ų117104.5 Ų104.558%0.57652%0.522SS*.Hα-helixtrans-56.9-44.9170.6-175.7-157.7-54.100111.8L552 Y553 Q560L552-M556 WeakPolarHBondContact O-CB 3.12Å; L552-M556 PolarHBondContact O-N 2.86Å; Y553-M556 HydrophobicContact CD2-CE 4.32Å; Y553-M556 HydrophobicContact CD2-SD 4.41Å; M556-Q560 VanDerWaalsContact O-CB 3.22Å; M556-Q560 WeakPolarHBondContact O-CB 3.43Å; M556-Q560 PolarHBondContact O-N 3.5Å
557K95.7Very high93.5Very high101 Ų101104.6 Ų104.644%0.43952%0.522SS..Hα-helixtrans-67.9-36.4176-85.1-175.5174.7173.40113Y553 V554 E555 S561Y553-K557 HydrophobicContact CD1-CD 4.44Å; Y553-K557 HydrophobicContact CE1-CD 3.99Å; Y553-K557 VanDerWaalsContact CE1-CE 3.47Å; Y553-K557 WeakPolarHBondContact O-CB 3.23Å; Y553-K557 PolarHBondContact O-N 2.85Å; Y553-K557 WeakPolarHBondContact OH-CE 3.46Å; Y553-K557 PolarHBondContact OH-NZ 3.32Å; V554-K557 PolarHBondContact O-N 3.49Å; E555-K557 VanDerWaalsContact C-N 3.35Å; E555-K557 PolarHBondContact O-N 3.21Å; K557-S561 WeakPolarHBondContact O-CB 3.41Å; K557-S561 PolarHBondContact O-N 2.97Å; K557-S561 PolarHBondContact O-OG 3.05Å
558A94.2Very high93.5Very high52 Ų52102.5 Ų102.543%0.4351%0.512SS..Hα-helixtrans-62-5117500000110.3V554 E555 Q560 S561 R562V554-A558 WeakPolarHBondContact O-CB 3.35Å; V554-A558 PolarHBondContact O-N 3.3Å; E555-A558 WeakPolarHBondContact O-CB 3.21Å; E555-A558 PolarHBondContact O-N 3.02Å; A558-Q560 PolarHBondContact O-N 3.27Å; A558-S561 PolarHBondContact O-N 3.44Å; A558-S561 VanDerWaalsContact O-N 3.16Å; A558-S561 PolarHBondContact O-OG 3.17Å; A558-R562 WeakPolarHBondContact O-CB 3.37Å; A558-R562 PolarHBondContact O-N 3.49Å
559E90.2Very high93.6Very high97 Ų9799.9 Ų99.945%0.45351%0.509SS..Hα-helixtrans-71-31.8-179.9-162.560.6-158.700112.3E555 R562 S563E555-E559 PolarHBondContact O-N 2.95Å; E559-R562 PolarHBondContact O-N 3.07Å; E559-R562 WeakPolarHBondContact OE1-CD 3.43Å; E559-R562 IonicContact OE1-CZ 3.77Å; E559-R562 IonicContact OE1-NH1 2.65Å; E559-R562 PolarHBondContact OE1-NH1 2.97Å; E559-R562 WeakPolarHBondContact OE2-CD 3.44Å; E559-R562 IonicContact OE2-CZ 2.6Å; E559-R562 IonicContact OE2-NE 3.93Å; E559-R562 IonicContact OE2-NH1 3.24Å; E559-R562 PolarHBondContact OE2-NH1 3.32Å; E559-S563 VanDerWaalsContact O-CB 3.3Å; E559-S563 WeakPolarHBondContact O-CB 3.19Å; E559-S563 PolarHBondContact O-N 3.25Å
560Q92.6Very high93.1Very high131 Ų131100.3 Ų100.361%0.61251%0.509SS*.Hα-helixtrans-62.4-42.5168.5-172-177.938.100111.6M556 A558 R562 S563 K564M556-Q560 VanDerWaalsContact O-CB 3.22Å; M556-Q560 WeakPolarHBondContact O-CB 3.43Å; M556-Q560 PolarHBondContact O-N 3.5Å; A558-Q560 PolarHBondContact O-N 3.27Å; Q560-R562 VanDerWaalsContact C-N 3.34Å; Q560-S563 PolarHBondContact O-N 2.96Å; Q560-K564 WeakPolarHBondContact O-CB 3.46Å; Q560-K564 PolarHBondContact O-N 2.81Å
561S91.1Very high93.1Very high74 Ų74100.3 Ų100.352%0.51751%0.507SS..Hα-helixtrans-66.9-35.917778.80000112K557 A558 K564 A565K557-S561 WeakPolarHBondContact O-CB 3.41Å; K557-S561 PolarHBondContact O-N 2.97Å; K557-S561 PolarHBondContact O-OG 3.05Å; A558-S561 PolarHBondContact O-N 3.44Å; A558-S561 VanDerWaalsContact O-N 3.16Å; A558-S561 PolarHBondContact O-OG 3.17Å; S561-K564 PolarHBondContact O-N 3.21Å; S561-A565 WeakPolarHBondContact O-CB 2.95Å; S561-A565 PolarHBondContact O-N 3.25Å
562R93.6Very high93Very high143 Ų14398.1 Ų98.154%0.5450%0.502SS..Hα-helixtrans-68.4-43.7174.8-169.8-168.4-173.1-175.50.2111.8A558 E559 Q560 K564 A565 N566A558-R562 WeakPolarHBondContact O-CB 3.37Å; A558-R562 PolarHBondContact O-N 3.49Å; E559-R562 PolarHBondContact O-N 3.07Å; E559-R562 WeakPolarHBondContact OE1-CD 3.43Å; E559-R562 IonicContact OE1-CZ 3.77Å; E559-R562 IonicContact OE1-NH1 2.65Å; E559-R562 PolarHBondContact OE1-NH1 2.97Å; E559-R562 WeakPolarHBondContact OE2-CD 3.44Å; E559-R562 IonicContact OE2-CZ 2.6Å; E559-R562 IonicContact OE2-NE 3.93Å; E559-R562 IonicContact OE2-NH1 3.24Å; E559-R562 PolarHBondContact OE2-NH1 3.32Å; Q560-R562 VanDerWaalsContact C-N 3.34Å; R562-K564 VanDerWaalsContact C-N 3.35Å; R562-A565 PolarHBondContact O-N 3.32Å; R562-N566 WeakPolarHBondContact O-CB 3.45Å; R562-N566 PolarHBondContact O-N 3.43Å; R562-N566 PolarHBondContact O-ND2 3.43Å; R562-N566 PolarHBondContact O-OD1 3.5Å
563S89.3Confident92.9Very high72 Ų7299.8 Ų99.850%0.50351%0.508SS..Hα-helixtrans-59.5-44.8173.3-177.30000111.3E559 Q560 N566 Q567E559-S563 VanDerWaalsContact O-CB 3.3Å; E559-S563 WeakPolarHBondContact O-CB 3.19Å; E559-S563 PolarHBondContact O-N 3.25Å; Q560-S563 PolarHBondContact O-N 2.96Å; S563-N566 PolarHBondContact O-N 2.74Å; S563-Q567 WeakPolarHBondContact O-CB 3.34Å; S563-Q567 PolarHBondContact O-N 2.77Å
564K95.6Very high92.6Very high119 Ų11998.4 Ų98.452%0.51751%0.509SS..Hα-helixtrans-62.2-44.4173-171.3176.2-172.1-99.30112.4Q560 S561 R562 N566 Q567 E568Q560-K564 WeakPolarHBondContact O-CB 3.46Å; Q560-K564 PolarHBondContact O-N 2.81Å; S561-K564 PolarHBondContact O-N 3.21Å; R562-K564 VanDerWaalsContact C-N 3.35Å; K564-N566 VanDerWaalsContact C-N 3.33Å; K564-N566 PolarHBondContact O-N 3.34Å; K564-Q567 WeakPolarHBondContact O-CB 3.24Å; K564-Q567 PolarHBondContact O-N 2.9Å; K564-E568 VanDerWaalsContact CE-OE1 3.29Å; K564-E568 WeakPolarHBondContact CE-OE1 3.25Å; K564-E568 HydrophobicContact CG-CG 4.49Å; K564-E568 IonicContact NZ-OE1 2.69Å; K564-E568 PolarHBondContact NZ-OE1 2.83Å; K564-E568 WeakPolarHBondContact O-CB 3.48Å; K564-E568 WeakPolarHBondContact O-CG 3.47Å; K564-E568 PolarHBondContact O-N 3.5Å
565A94.1Very high92.5Very high50 Ų5099.7 Ų99.741%0.41351%0.509SS..Hα-helixtrans-63.1-38.117700000112.2S561 R562 E568 A569S561-A565 WeakPolarHBondContact O-CB 2.95Å; S561-A565 PolarHBondContact O-N 3.25Å; R562-A565 PolarHBondContact O-N 3.32Å; A565-E568 PolarHBondContact O-N 3.25Å; A565-A569 VanDerWaalsContact O-CB 3.32Å; A565-A569 WeakPolarHBondContact O-CB 3.49Å; A565-A569 PolarHBondContact O-N 3.44Å
566N90.4Very high92.5Very high88 Ų8899.9 Ų99.947%0.47151%0.51SS..Hα-helixtrans-65.1-41.8172.3-68-15.6000111.3R562 S563 K564 A569 M570R562-N566 WeakPolarHBondContact O-CB 3.45Å; R562-N566 PolarHBondContact O-N 3.43Å; R562-N566 PolarHBondContact O-ND2 3.43Å; R562-N566 PolarHBondContact O-OD1 3.5Å; S563-N566 PolarHBondContact O-N 2.74Å; K564-N566 VanDerWaalsContact C-N 3.33Å; K564-N566 PolarHBondContact O-N 3.34Å; N566-A569 PolarHBondContact O-N 2.88Å; N566-M570 WeakPolarHBondContact O-CB 3.32Å; N566-M570 WeakPolarHBondContact O-CG 3.18Å; N566-M570 PolarHBondContact O-N 2.91Å
567Q91Very high92.4Very high132 Ų13298 Ų9862%0.61750%0.502SS*.Hα-helixtrans-64.3-41.9175.9-170.7-179.114.700111.9S563 K564 F571S563-Q567 WeakPolarHBondContact O-CB 3.34Å; S563-Q567 PolarHBondContact O-N 2.77Å; K564-Q567 WeakPolarHBondContact O-CB 3.24Å; K564-Q567 PolarHBondContact O-N 2.9Å; Q567-F571 VanDerWaalsContact O-CB 3.28Å; Q567-F571 WeakPolarHBondContact O-CB 3.36Å; Q567-F571 PolarHBondContact O-N 3.19Å
568E94.1Very high92.1Very high92 Ų9298.6 Ų98.643%0.4351%0.509SS..Hα-helixtrans-66.1-40.1174.7-73.4174.3-179.800111.4K564 A565 F571 N572K564-E568 VanDerWaalsContact CE-OE1 3.29Å; K564-E568 WeakPolarHBondContact CE-OE1 3.25Å; K564-E568 HydrophobicContact CG-CG 4.49Å; K564-E568 IonicContact NZ-OE1 2.69Å; K564-E568 PolarHBondContact NZ-OE1 2.83Å; K564-E568 WeakPolarHBondContact O-CB 3.48Å; K564-E568 WeakPolarHBondContact O-CG 3.47Å; K564-E568 PolarHBondContact O-N 3.5Å; A565-E568 PolarHBondContact O-N 3.25Å; E568-F571 PolarHBondContact O-N 3.43Å; E568-N572 WeakPolarHBondContact O-CB 3.28Å; E568-N572 PolarHBondContact O-N 2.81Å; E568-N572 PolarHBondContact O-ND2 2.87Å; E568-N572 VanDerWaalsContact O-ND2 3.13Å
569A93.6Very high92Very high53 Ų5399 Ų9944%0.43851%0.508SS..Hα-helixtrans-62.3-49.2173.800000112A565 N566 F571 N572 E573A565-A569 VanDerWaalsContact O-CB 3.32Å; A565-A569 WeakPolarHBondContact O-CB 3.49Å; A565-A569 PolarHBondContact O-N 3.44Å; N566-A569 PolarHBondContact O-N 2.88Å; A569-F571 VanDerWaalsContact C-N 3.31Å; A569-F571 PolarHBondContact O-N 3.46Å; A569-N572 PolarHBondContact O-N 2.82Å; A569-E573 WeakPolarHBondContact O-CB 3.23Å; A569-E573 PolarHBondContact O-N 3.4Å
570M81.9Confident92.1Very high110 Ų11098.8 Ų98.854%0.54251%0.508SS..Hα-helixtrans-63.2-34.9175.8-71.4-175-66.500112.4N566 N574N566-M570 WeakPolarHBondContact O-CB 3.32Å; N566-M570 WeakPolarHBondContact O-CG 3.18Å; N566-M570 PolarHBondContact O-N 2.91Å; M570-N574 WeakPolarHBondContact O-CB 3.38Å; M570-N574 PolarHBondContact O-N 3.41Å; M570-N574 PolarHBondContact O-ND2 3.13Å
571F94.6Very high92Very high129 Ų12996.6 Ų96.657%0.56650%0.5SS*.Hα-helixtrans-66.7-45.9174.3178.8-92.7000111.5Q567 E568 A569 N574 Q575Q567-F571 VanDerWaalsContact O-CB 3.28Å; Q567-F571 WeakPolarHBondContact O-CB 3.36Å; Q567-F571 PolarHBondContact O-N 3.19Å; E568-F571 PolarHBondContact O-N 3.43Å; A569-F571 VanDerWaalsContact C-N 3.31Å; A569-F571 PolarHBondContact O-N 3.46Å; F571-N574 PolarHBondContact O-N 3.49Å; F571-Q575 WeakPolarHBondContact O-CB 3.31Å; F571-Q575 PolarHBondContact O-N 3.21Å
572N94.9Very high91.8Very high92 Ų9295.8 Ų95.849%0.49250%0.497SS..Hα-helixtrans-63.9-42177.7-68.4-24.3000111.5E568 A569 Q575 E576E568-N572 WeakPolarHBondContact O-CB 3.28Å; E568-N572 PolarHBondContact O-N 2.81Å; E568-N572 PolarHBondContact O-ND2 2.87Å; E568-N572 VanDerWaalsContact O-ND2 3.13Å; A569-N572 PolarHBondContact O-N 2.82Å; N572-Q575 PolarHBondContact O-N 2.85Å; N572-E576 WeakPolarHBondContact O-CB 3.34Å; N572-E576 PolarHBondContact O-N 3.48Å
573E93.4Very high91.6Very high119 Ų11992.4 Ų92.456%0.55649%0.492SS*.Hα-helixtrans-63.1-44.1174.5-175.4175.9-166.200111.4A569 Q575 E576 L577A569-E573 WeakPolarHBondContact O-CB 3.23Å; A569-E573 PolarHBondContact O-N 3.4Å; E573-Q575 VanDerWaalsContact C-N 3.33Å; E573-Q575 PolarHBondContact O-N 3.33Å; E573-E576 PolarHBondContact O-N 3.13Å; E573-L577 HydrophobicContact CG-CD1 4.13Å; E573-L577 HydrophobicContact CG-CG 4.49Å; E573-L577 WeakPolarHBondContact O-CB 3.39Å; E573-L577 VanDerWaalsContact O-CG 3.27Å; E573-L577 WeakPolarHBondContact O-CG 3.39Å; E573-L577 PolarHBondContact O-N 2.86Å
574N88.8Confident91.2Very high95 Ų9592.4 Ų92.451%0.50849%0.489SS..Hα-helixtrans-63.2-37.7173.8-85.8-83.7000112.3M570 F571 L578M570-N574 WeakPolarHBondContact O-CB 3.38Å; M570-N574 PolarHBondContact O-N 3.41Å; M570-N574 PolarHBondContact O-ND2 3.13Å; F571-N574 PolarHBondContact O-N 3.49Å; N574-L578 WeakPolarHBondContact O-CB 3.48Å; N574-L578 VanDerWaalsContact O-CG 3.23Å; N574-L578 WeakPolarHBondContact O-CG 3.43Å; N574-L578 PolarHBondContact O-N 3.41Å
575Q93.3Very high90.6Very high117 Ų11794.6 Ų94.655%0.54749%0.494SS..Hα-helixtrans-66.8-39.7174.9-17117651.800111.5F571 N572 E573 L578 S579F571-Q575 WeakPolarHBondContact O-CB 3.31Å; F571-Q575 PolarHBondContact O-N 3.21Å; N572-Q575 PolarHBondContact O-N 2.85Å; E573-Q575 VanDerWaalsContact C-N 3.33Å; E573-Q575 PolarHBondContact O-N 3.33Å; Q575-L578 PolarHBondContact O-N 3.49Å; Q575-S579 PolarHBondContact O-N 2.95Å
576E94Very high89.8Confident115 Ų11596.9 Ų96.954%0.53750%0.497SS..Hα-helixtrans-66.5-46.8175.3-160-172.5143.100111N572 E573 L578 S579 Q580N572-E576 WeakPolarHBondContact O-CB 3.34Å; N572-E576 PolarHBondContact O-N 3.48Å; E573-E576 PolarHBondContact O-N 3.13Å; E576-L578 VanDerWaalsContact C-N 3.32Å; E576-L578 PolarHBondContact O-N 3.42Å; E576-S579 CarbonylContact O-C 3.57Å; E576-S579 WeakPolarHBondContact O-CA 3.07Å; E576-S579 WeakPolarHBondContact O-CB 3.42Å; E576-S579 PolarHBondContact O-N 3.15Å; E576-S579 PolarHBondContact O-OG 3.46Å; E576-Q580 WeakPolarHBondContact O-CG 3.48Å; E576-Q580 PolarHBondContact O-N 3.43Å; E576-Q580 PolarHBondContact OE1-NE2 3.06Å
577L93.1Very high89.1Confident77 Ų7798.3 Ų98.340%0.40350%0.5SS..Hα-helixtrans-58.3-41.1174.1-72.1170.2000112E573 S579 Q580 L581E573-L577 HydrophobicContact CG-CD1 4.13Å; E573-L577 HydrophobicContact CG-CG 4.49Å; E573-L577 WeakPolarHBondContact O-CB 3.39Å; E573-L577 VanDerWaalsContact O-CG 3.27Å; E573-L577 WeakPolarHBondContact O-CG 3.39Å; E573-L577 PolarHBondContact O-N 2.86Å; L577-S579 VanDerWaalsContact C-N 3.32Å; L577-S579 PolarHBondContact O-N 3.16Å; L577-Q580 PolarHBondContact O-N 3.3Å; L577-L581 WeakPolarHBondContact O-CB 3.22Å; L577-L581 VanDerWaalsContact O-CG 3.27Å; L577-L581 WeakPolarHBondContact O-CG 3.48Å; L577-L581 PolarHBondContact O-N 3.4Å
578L90.8Very high88Confident114 Ų11497.9 Ų97.960%0.59750%0.501SS*.Hα-helixtrans-62.8-37.6172-76.8168.9000112N574 Q575 E576 L581 A582N574-L578 WeakPolarHBondContact O-CB 3.48Å; N574-L578 VanDerWaalsContact O-CG 3.23Å; N574-L578 WeakPolarHBondContact O-CG 3.43Å; N574-L578 PolarHBondContact O-N 3.41Å; Q575-L578 PolarHBondContact O-N 3.49Å; E576-L578 VanDerWaalsContact C-N 3.32Å; E576-L578 PolarHBondContact O-N 3.42Å; L578-L581 PolarHBondContact O-N 3.04Å; L578-A582 WeakPolarHBondContact O-CB 3.36Å; L578-A582 PolarHBondContact O-N 3.29Å
579S91.6Very high86.7Confident59 Ų59102.8 Ų102.841%0.41352%0.516SS..Hα-helixtrans-68.4-40.1174.685.90000112.2Q575 E576 L577 A582 V583Q575-S579 PolarHBondContact O-N 2.95Å; E576-S579 CarbonylContact O-C 3.57Å; E576-S579 WeakPolarHBondContact O-CA 3.07Å; E576-S579 WeakPolarHBondContact O-CB 3.42Å; E576-S579 PolarHBondContact O-N 3.15Å; E576-S579 PolarHBondContact O-OG 3.46Å; L577-S579 VanDerWaalsContact C-N 3.32Å; L577-S579 PolarHBondContact O-N 3.16Å; S579-A582 WeakPolarHBondContact O-CB 3.48Å; S579-A582 PolarHBondContact O-N 3.02Å; S579-A582 VanDerWaalsContact O-N 3.17Å; S579-V583 WeakPolarHBondContact O-CG2 3.48Å; S579-V583 PolarHBondContact O-N 3.3Å
580Q92.6Very high85.1Confident94 Ų94106.9 Ų106.944%0.43952%0.524SS..Hα-helixtrans-66.3-38.7175.3-66.5177.521.500111E576 L577 V583 T584E576-Q580 WeakPolarHBondContact O-CG 3.48Å; E576-Q580 PolarHBondContact O-N 3.43Å; E576-Q580 PolarHBondContact OE1-NE2 3.06Å; L577-Q580 PolarHBondContact O-N 3.3Å; Q580-V583 PolarHBondContact O-N 2.88Å; Q580-T584 WeakPolarHBondContact O-CB 3.42Å; Q580-T584 WeakPolarHBondContact O-CG2 3.22Å; Q580-T584 PolarHBondContact O-N 3.29Å; Q580-T584 PolarHBondContact O-OG1 2.85Å
581L89.4Confident83.8Confident85 Ų85106 Ų10645%0.44553%0.528SS..Hα-helixtrans-65.2-35.4170.7-74171.4000112.4L577 L578 T584 R585L577-L581 WeakPolarHBondContact O-CB 3.22Å; L577-L581 VanDerWaalsContact O-CG 3.27Å; L577-L581 WeakPolarHBondContact O-CG 3.48Å; L577-L581 PolarHBondContact O-N 3.4Å; L578-L581 PolarHBondContact O-N 3.04Å; L581-T584 WeakPolarHBondContact CA-OG1 3.28Å; L581-T584 PolarHBondContact O-OG1 3.3Å; L581-R585 VanDerWaalsContact O-CB 3.27Å; L581-R585 WeakPolarHBondContact O-CB 3.47Å; L581-R585 VanDerWaalsContact O-CD 3.3Å; L581-R585 WeakPolarHBondContact O-CD 3.3Å; L581-R585 WeakPolarHBondContact O-CG 3.47Å; L581-R585 PolarHBondContact O-N 3.45Å; L581-R585 VanDerWaalsContact O-N 3.08Å
582A88.5Confident81.4Confident57 Ų57104 Ų10447%0.47153%0.531SS..Hα-helixtrans-67.8-47.1173.100000111.6L578 S579 R585 E586L578-A582 WeakPolarHBondContact O-CB 3.36Å; L578-A582 PolarHBondContact O-N 3.29Å; S579-A582 WeakPolarHBondContact O-CB 3.48Å; S579-A582 PolarHBondContact O-N 3.02Å; S579-A582 VanDerWaalsContact O-N 3.17Å; A582-R585 PolarHBondContact O-N 3.26Å; A582-E586 WeakPolarHBondContact O-CB 3.18Å; A582-E586 PolarHBondContact O-N 2.96Å
583V87.8Confident79.1Confident72 Ų72110.7 Ų110.744%0.43655%0.549SS..Hα-helixtrans-62-44.7178.3169.60000111.6S579 Q580 E586 Q587S579-V583 WeakPolarHBondContact O-CG2 3.48Å; S579-V583 PolarHBondContact O-N 3.3Å; Q580-V583 PolarHBondContact O-N 2.88Å; V583-E586 PolarHBondContact O-N 3.21Å; V583-Q587 HydrophobicContact CG1-CG 4.48Å; V583-Q587 WeakPolarHBondContact O-CG 3.34Å; V583-Q587 PolarHBondContact O-N 2.83Å
584T81.9Confident77.1Confident71 Ų71109.5 Ų109.544%0.43655%0.552SS.*Hα-helixtrans-66.7-39.517749.10000112.4Q580 L581 E586 Q587 L588Q580-T584 WeakPolarHBondContact O-CB 3.42Å; Q580-T584 WeakPolarHBondContact O-CG2 3.22Å; Q580-T584 PolarHBondContact O-N 3.29Å; Q580-T584 PolarHBondContact O-OG1 2.85Å; L581-T584 WeakPolarHBondContact CA-OG1 3.28Å; L581-T584 PolarHBondContact O-OG1 3.3Å; T584-E586 VanDerWaalsContact C-N 3.31Å; T584-E586 PolarHBondContact O-N 3Å; T584-Q587 PolarHBondContact O-N 3.07Å; T584-L588 WeakPolarHBondContact O-CB 3.27Å; T584-L588 PolarHBondContact O-N 2.86Å
585R82.8Confident74.7Confident166 Ų166111.6 Ų111.663%0.62657%0.568SS**Hα-helixtrans-62.3-36.4170.5-75.2168.9176.4173.2-1.4112.3L581 A582 R589L581-R585 VanDerWaalsContact O-CB 3.27Å; L581-R585 WeakPolarHBondContact O-CB 3.47Å; L581-R585 VanDerWaalsContact O-CD 3.3Å; L581-R585 WeakPolarHBondContact O-CD 3.3Å; L581-R585 WeakPolarHBondContact O-CG 3.47Å; L581-R585 PolarHBondContact O-N 3.45Å; L581-R585 VanDerWaalsContact O-N 3.08Å; A582-R585 PolarHBondContact O-N 3.26Å; R585-R589 WeakPolarHBondContact O-CG 3.38Å; R585-R589 PolarHBondContact O-N 3.48Å
586E78.3Confident72.2Confident98 Ų98111 Ų11146%0.45858%0.575SS.*Hα-helixtrans-74.8-36.7177.7-150.9-157.6164.300112.3A582 V583 T584 L588 R589 K590A582-E586 WeakPolarHBondContact O-CB 3.18Å; A582-E586 PolarHBondContact O-N 2.96Å; V583-E586 PolarHBondContact O-N 3.21Å; T584-E586 VanDerWaalsContact C-N 3.31Å; T584-E586 PolarHBondContact O-N 3Å; E586-L588 VanDerWaalsContact C-N 3.33Å; E586-R589 PolarHBondContact O-N 3.03Å; E586-K590 VanDerWaalsContact CD-CE 3.45Å; E586-K590 HydrophobicContact CG-CD 4.5Å; E586-K590 WeakPolarHBondContact O-CB 3.36Å; E586-K590 VanDerWaalsContact O-CG 3.28Å; E586-K590 WeakPolarHBondContact O-CG 3.41Å; E586-K590 PolarHBondContact O-N 2.78Å; E586-K590 WeakPolarHBondContact OE1-CE 3.23Å; E586-K590 IonicContact OE1-NZ 2.7Å; E586-K590 PolarHBondContact OE1-NZ 3.26Å; E586-K590 IonicContact OE2-NZ 2.89Å; E586-K590 PolarHBondContact OE2-NZ 2.85Å
587Q73.9Confident70.1Confident118 Ų118109.5 Ų109.555%0.55158%0.583SS**Hα-helixtrans-60.3-43.4169.5-73.9173.6300111V583 T584 R589 K590 S591V583-Q587 HydrophobicContact CG1-CG 4.48Å; V583-Q587 WeakPolarHBondContact O-CG 3.34Å; V583-Q587 PolarHBondContact O-N 2.83Å; T584-Q587 PolarHBondContact O-N 3.07Å; Q587-R589 PolarHBondContact O-N 3.44Å; Q587-K590 PolarHBondContact O-N 3.34Å; Q587-K590 VanDerWaalsContact O-N 3.17Å; Q587-S591 PolarHBondContact O-N 2.82Å
588L69.4Low68.2Low122 Ų122113.2 Ų113.264%0.63960%0.6SS**Hα-helixtrans-61.6-42.1175.1-169.165.9000111.6T584 E586 S591T584-L588 WeakPolarHBondContact O-CB 3.27Å; T584-L588 PolarHBondContact O-N 2.86Å; E586-L588 VanDerWaalsContact C-N 3.33Å; L588-S591 PolarHBondContact O-N 3.15Å; L588-S591 PolarHBondContact O-OG 2.97Å
589R66.7Low66.6Low196 Ų196112.9 Ų112.974%0.7460%0.599SS**Hα-helixtrans-66-35.9172.1-75178.7171.1-173.5-2.6113.5R585 E586 Q587 S591 S592R585-R589 WeakPolarHBondContact O-CG 3.38Å; R585-R589 PolarHBondContact O-N 3.48Å; E586-R589 PolarHBondContact O-N 3.03Å; Q587-R589 PolarHBondContact O-N 3.44Å; R589-S591 VanDerWaalsContact C-N 3.28Å; R589-S591 PolarHBondContact O-N 3.43Å; R589-S592 PolarHBondContact O-N 3.27Å; R589-S592 VanDerWaalsContact O-N 3.14Å; R589-S592 PolarHBondContact O-OG 2.87Å
590K59.6Low64.8Low138 Ų138114.5 Ų114.560%0.660%0.599SS**Hα-helixtrans-68.2-28.4175.1-75.5164.3-178.9164.20111.9E586 Q587 S592E586-K590 VanDerWaalsContact CD-CE 3.45Å; E586-K590 HydrophobicContact CG-CD 4.5Å; E586-K590 WeakPolarHBondContact O-CB 3.36Å; E586-K590 VanDerWaalsContact O-CG 3.28Å; E586-K590 WeakPolarHBondContact O-CG 3.41Å; E586-K590 PolarHBondContact O-N 2.78Å; E586-K590 WeakPolarHBondContact OE1-CE 3.23Å; E586-K590 IonicContact OE1-NZ 2.7Å; E586-K590 PolarHBondContact OE1-NZ 3.26Å; E586-K590 IonicContact OE2-NZ 2.89Å; E586-K590 PolarHBondContact OE2-NZ 2.85Å; Q587-K590 PolarHBondContact O-N 3.34Å; Q587-K590 VanDerWaalsContact O-N 3.17Å; K590-S592 PolarHBondContact O-N 3.18Å
591S53.5Low63.5Low91 Ų91114.9 Ų114.964%0.63661%0.609SS**THydrogen-bonded Turntrans-73.7-8.7171.380.80000114.5Q587 L588 R589Q587-S591 PolarHBondContact O-N 2.82Å; L588-S591 PolarHBondContact O-N 3.15Å; L588-S591 PolarHBondContact O-OG 2.97Å; R589-S591 VanDerWaalsContact C-N 3.28Å; R589-S591 PolarHBondContact O-N 3.43Å
592S46.1Very low62.6Low88 Ų88117.5 Ų117.562%0.61562%0.616SS**  trans-113.448.4-173.776.50000114.2R589 K590R589-S592 PolarHBondContact O-N 3.27Å; R589-S592 VanDerWaalsContact O-N 3.14Å; R589-S592 PolarHBondContact O-OG 2.87Å; K590-S592 PolarHBondContact O-N 3.18Å
593R45.4Very low61.9Low232 Ų232123.2 Ų123.288%0.87563%0.626SS**SBendtrans-121.4145160.1-93.3-172168.5-171.3-3.5111.1
594P52.2Low61.4Low95 Ų95124.5 Ų124.562%0.61763%0.629SS**  trans-92150-154.235-36.8000114.5
595V38.6Very low61.5Low139 Ų139124.5 Ų124.584%0.84263%0.632SS**  trans-135.9136.2160178.80000108.3
596C40.8Very low61.3Low103 Ų103120.8 Ų120.870%0.69663%0.625SS**  trans68.9138.7178.4-1450000117.3
597A50.1Low61.8Low85 Ų85120.2 Ų120.270%0.70262%0.624SS**SBendtrans-11217.5-156.400000116
598M52.1Low62.5Low154 Ų154118.9 Ų118.976%0.75962%0.62SS**SBendtrans-97.2-29.7-179.1-97.6-71.4170.600114.7
599D56.9Low63.3Low107 Ų107115.4 Ų115.457%0.57261%0.609SS**Hα-helixtrans-86.6-15.4-175.1-60.9-51.5000113.8T601 K602 R603D599-T601 PolarHBondContact O-N 3.37Å; D599-K602 PolarHBondContact O-N 3.05Å; D599-R603 WeakPolarHBondContact O-CB 3.21Å; D599-R603 PolarHBondContact O-N 3.37Å
600H54.3Low64.2Low93 Ų93110.7 Ų110.743%0.43160%0.595SS.*Hα-helixtrans-66.7-40.1-175.5-70.319.9000112.2K602 R603 I604H600-K602 PolarHBondContact O-N 3.37Å; H600-R603 PolarHBondContact O-N 3.4Å; H600-I604 WeakPolarHBondContact O-CB 3.28Å; H600-I604 WeakPolarHBondContact O-CD1 3.49Å; H600-I604 WeakPolarHBondContact O-CG1 3.43Å; H600-I604 PolarHBondContact O-N 2.95Å
601T65.7Low65.6Low103 Ų103108.1 Ų108.163%0.63259%0.587SS**Hα-helixtrans-62.5-43.9177.5-42.80000111.6D599 I604 S605D599-T601 PolarHBondContact O-N 3.37Å; T601-I604 PolarHBondContact O-N 3.46Å; T601-S605 PolarHBondContact O-N 3.33Å; T601-S605 PolarHBondContact O-OG 3.48Å
602K69.6Low67.4Low139 Ų139107.8 Ų107.860%0.60458%0.579SS**Hα-helixtrans-63.1-50.4175.1-67.6177.8-177.5170.70110.8D599 H600 I604 S605 D606D599-K602 PolarHBondContact O-N 3.05Å; H600-K602 PolarHBondContact O-N 3.37Å; K602-I604 VanDerWaalsContact C-N 3.27Å; K602-I604 PolarHBondContact O-N 2.97Å; K602-S605 CarbonylContact O-C 3.57Å; K602-S605 WeakPolarHBondContact O-CA 3.49Å; K602-S605 WeakPolarHBondContact O-CB 3.33Å; K602-S605 PolarHBondContact O-N 2.98Å; K602-D606 PolarHBondContact O-N 3.27Å
603R75.3Confident69.5Low178 Ų178107 Ų10767%0.67257%0.57SS**Hα-helixtrans-63.3-30.6-179.1-163.4171.2-171.4167.62.9113.2D599 H600 L607D599-R603 WeakPolarHBondContact O-CB 3.21Å; D599-R603 PolarHBondContact O-N 3.37Å; H600-R603 PolarHBondContact O-N 3.4Å; R603-L607 HydrophobicContact CG-CD1 4.41Å; R603-L607 VanDerWaalsContact O-CB 3.31Å; R603-L607 WeakPolarHBondContact O-CB 3.42Å; R603-L607 WeakPolarHBondContact O-CD1 3.46Å; R603-L607 WeakPolarHBondContact O-CG 3.3Å; R603-L607 PolarHBondContact O-N 3Å
604I76.8Confident71.4Confident99 Ų99104.7 Ų104.751%0.50856%0.561SS.*Hα-helixtrans-69.4-45.5170.8-71.4164.6000110.3H600 T601 K602 D606 L607 L608H600-I604 WeakPolarHBondContact O-CB 3.28Å; H600-I604 WeakPolarHBondContact O-CD1 3.49Å; H600-I604 WeakPolarHBondContact O-CG1 3.43Å; H600-I604 PolarHBondContact O-N 2.95Å; T601-I604 PolarHBondContact O-N 3.46Å; K602-I604 VanDerWaalsContact C-N 3.27Å; K602-I604 PolarHBondContact O-N 2.97Å; I604-D606 VanDerWaalsContact C-N 3.34Å; I604-D606 PolarHBondContact O-N 3.21Å; I604-L607 PolarHBondContact O-N 2.95Å; I604-L608 HydrophobicContact CG2-CD1 3.9Å; I604-L608 HydrophobicContact CG2-CG 4.42Å; I604-L608 WeakPolarHBondContact O-CB 3.37Å; I604-L608 VanDerWaalsContact O-CG 3.29Å; I604-L608 WeakPolarHBondContact O-CG 3.47Å; I604-L608 PolarHBondContact O-N 2.88Å
605S82.6Confident73.1Confident70 Ų70104.9 Ų104.949%0.4955%0.554SS.*Hα-helixtrans-59.9-41.2172.8-63.80000112.7T601 K602 L608 A609T601-S605 PolarHBondContact O-N 3.33Å; T601-S605 PolarHBondContact O-OG 3.48Å; K602-S605 CarbonylContact O-C 3.57Å; K602-S605 WeakPolarHBondContact O-CA 3.49Å; K602-S605 WeakPolarHBondContact O-CB 3.33Å; K602-S605 PolarHBondContact O-N 2.98Å; S605-L608 PolarHBondContact O-N 2.97Å; S605-A609 WeakPolarHBondContact O-CB 3.41Å; S605-A609 PolarHBondContact O-N 3.22Å
606D80.1Confident75.7Confident89 Ų89103 Ų10348%0.47654%0.536SS..Hα-helixtrans-67.9-36.4177.9-61.2-34.4000111.8K602 I604 Q610K602-D606 PolarHBondContact O-N 3.27Å; I604-D606 VanDerWaalsContact C-N 3.34Å; I604-D606 PolarHBondContact O-N 3.21Å; D606-Q610 WeakPolarHBondContact O-CB 3.28Å; D606-Q610 VanDerWaalsContact O-CG 3.29Å; D606-Q610 WeakPolarHBondContact O-CG 3.3Å; D606-Q610 PolarHBondContact O-N 3.1Å; D606-Q610 PolarHBondContact O-NE2 3.26Å
607L88.4Confident78.1Confident85 Ų85101.9 Ų101.945%0.44552%0.523SS..Hα-helixtrans-71.6-39.2173.8-76.2169.2000111.6R603 I604 A609 Q610 I611R603-L607 HydrophobicContact CG-CD1 4.41Å; R603-L607 VanDerWaalsContact O-CB 3.31Å; R603-L607 WeakPolarHBondContact O-CB 3.42Å; R603-L607 WeakPolarHBondContact O-CD1 3.46Å; R603-L607 WeakPolarHBondContact O-CG 3.3Å; R603-L607 PolarHBondContact O-N 3Å; I604-L607 PolarHBondContact O-N 2.95Å; L607-A609 VanDerWaalsContact C-N 3.35Å; L607-Q610 CarbonylContact O-C 3.57Å; L607-Q610 PolarHBondContact O-N 2.91Å; L607-I611 WeakPolarHBondContact O-CB 3.46Å; L607-I611 VanDerWaalsContact O-CG1 3.25Å; L607-I611 WeakPolarHBondContact O-CG1 3.4Å; L607-I611 PolarHBondContact O-N 3.34Å
608L87.8Confident79.9Confident91 Ų91103.8 Ų103.848%0.47652%0.517SS..Hα-helixtrans-65.8-37.4172.8-71.9169.6000111.5I604 S605 I611 N612I604-L608 HydrophobicContact CG2-CD1 3.9Å; I604-L608 HydrophobicContact CG2-CG 4.42Å; I604-L608 WeakPolarHBondContact O-CB 3.37Å; I604-L608 VanDerWaalsContact O-CG 3.29Å; I604-L608 WeakPolarHBondContact O-CG 3.47Å; I604-L608 PolarHBondContact O-N 2.88Å; S605-L608 PolarHBondContact O-N 2.97Å; L608-I611 PolarHBondContact O-N 3.07Å; L608-N612 VanDerWaalsContact O-CB 3.31Å; L608-N612 WeakPolarHBondContact O-CB 3.4Å; L608-N612 PolarHBondContact O-N 3.19Å; L608-N612 PolarHBondContact O-ND2 3.5Å
609A85.9Confident81.8Confident49 Ų49100 Ų10041%0.40550%0.503SS..Hα-helixtrans-65.2-39.1171.600000112.1S605 L607 T613S605-A609 WeakPolarHBondContact O-CB 3.41Å; S605-A609 PolarHBondContact O-N 3.22Å; L607-A609 VanDerWaalsContact C-N 3.35Å; A609-T613 WeakPolarHBondContact O-CB 3.38Å; A609-T613 WeakPolarHBondContact O-CG2 3.31Å; A609-T613 PolarHBondContact O-N 3.43Å; A609-T613 PolarHBondContact O-OG1 2.74Å
610Q86.9Confident83.7Confident96 Ų96100.7 Ų100.745%0.44950%0.498SS..Hα-helixtrans-68.5-35.6173.4-78.316781.700113D606 L607 T613 R614D606-Q610 WeakPolarHBondContact O-CB 3.28Å; D606-Q610 VanDerWaalsContact O-CG 3.29Å; D606-Q610 WeakPolarHBondContact O-CG 3.3Å; D606-Q610 PolarHBondContact O-N 3.1Å; D606-Q610 PolarHBondContact O-NE2 3.26Å; L607-Q610 CarbonylContact O-C 3.57Å; L607-Q610 PolarHBondContact O-N 2.91Å; Q610-T613 WeakPolarHBondContact CA-OG1 3.46Å; Q610-T613 PolarHBondContact O-OG1 3.33Å; Q610-R614 VanDerWaalsContact O-CB 3.31Å; Q610-R614 WeakPolarHBondContact O-CB 3.32Å; Q610-R614 VanDerWaalsContact O-CG 3.22Å; Q610-R614 WeakPolarHBondContact O-CG 3.29Å; Q610-R614 PolarHBondContact O-N 2.64Å
611I89.3Confident85.4Confident84 Ų84101.6 Ų101.643%0.43151%0.505SS..Hα-helixtrans-67.7-50.2173.5-71.3162.4000109.7L607 L608 T613 R614 Q615L607-I611 WeakPolarHBondContact O-CB 3.46Å; L607-I611 VanDerWaalsContact O-CG1 3.25Å; L607-I611 WeakPolarHBondContact O-CG1 3.4Å; L607-I611 PolarHBondContact O-N 3.34Å; L608-I611 PolarHBondContact O-N 3.07Å; I611-T613 VanDerWaalsContact C-N 3.34Å; I611-T613 PolarHBondContact O-N 3.39Å; I611-R614 PolarHBondContact O-N 2.81Å; I611-Q615 HydrophobicContact CG2-CG 4.43Å; I611-Q615 WeakPolarHBondContact O-CB 3.46Å; I611-Q615 WeakPolarHBondContact O-CG 3.43Å; I611-Q615 PolarHBondContact O-N 3.17Å
612N90.2Very high86.6Confident85 Ų85100.5 Ų100.546%0.45550%0.501SS..Hα-helixtrans-61.3-39.2178.6-72.2-21.2000112.5L608 Q616L608-N612 VanDerWaalsContact O-CB 3.31Å; L608-N612 WeakPolarHBondContact O-CB 3.4Å; L608-N612 PolarHBondContact O-N 3.19Å; L608-N612 PolarHBondContact O-ND2 3.5Å; N612-Q616 WeakPolarHBondContact O-CB 3.33Å; N612-Q616 VanDerWaalsContact O-CG 3.28Å; N612-Q616 WeakPolarHBondContact O-CG 3.24Å; N612-Q616 PolarHBondContact O-N 3Å
613T90.2Very high87.8Confident71 Ų7199.5 Ų99.544%0.43650%0.498SS..Hα-helixtrans-73.2-33.717647.60000112.7A609 Q610 I611 N617A609-T613 WeakPolarHBondContact O-CB 3.38Å; A609-T613 WeakPolarHBondContact O-CG2 3.31Å; A609-T613 PolarHBondContact O-N 3.43Å; A609-T613 PolarHBondContact O-OG1 2.74Å; Q610-T613 WeakPolarHBondContact CA-OG1 3.46Å; Q610-T613 PolarHBondContact O-OG1 3.33Å; I611-T613 VanDerWaalsContact C-N 3.34Å; I611-T613 PolarHBondContact O-N 3.39Å; T613-N617 WeakPolarHBondContact O-CB 3.38Å; T613-N617 PolarHBondContact O-N 2.97Å; T613-N617 PolarHBondContact O-ND2 3.16Å
614R85.1Confident88.6Confident183 Ų18395.9 Ų95.969%0.69149%0.489SS*.Hα-helixtrans-64.9-45.3169.6-77.4176.7-178.4-152.7-0.2111.5Q610 I611 Q616 N617 E618Q610-R614 VanDerWaalsContact O-CB 3.31Å; Q610-R614 WeakPolarHBondContact O-CB 3.32Å; Q610-R614 VanDerWaalsContact O-CG 3.22Å; Q610-R614 WeakPolarHBondContact O-CG 3.29Å; Q610-R614 PolarHBondContact O-N 2.64Å; I611-R614 PolarHBondContact O-N 2.81Å; R614-Q616 PolarHBondContact O-N 3.26Å; R614-N617 CarbonylContact O-C 3.53Å; R614-N617 PolarHBondContact O-N 2.99Å; R614-N617 VanDerWaalsContact O-N 3.12Å; R614-E618 WeakPolarHBondContact O-CB 3.35Å; R614-E618 PolarHBondContact O-N 3.38Å
615Q88.6Confident89.2Confident99 Ų9995.5 Ų95.546%0.46349%0.488SS..Hα-helixtrans-62.4-40.5175.7-74174.2-26.600112.1I611 N617 E618 T619I611-Q615 HydrophobicContact CG2-CG 4.43Å; I611-Q615 WeakPolarHBondContact O-CB 3.46Å; I611-Q615 WeakPolarHBondContact O-CG 3.43Å; I611-Q615 PolarHBondContact O-N 3.17Å; Q615-N617 VanDerWaalsContact C-N 3.31Å; Q615-N617 PolarHBondContact O-N 3.46Å; Q615-E618 WeakPolarHBondContact O-CB 3.45Å; Q615-E618 PolarHBondContact O-N 2.98Å; Q615-T619 WeakPolarHBondContact O-CG2 3.44Å; Q615-T619 PolarHBondContact O-N 3.01Å; Q615-T619 PolarHBondContact O-OG1 2.9Å
616Q92.4Very high89.8Confident100 Ų10094.6 Ų94.647%0.46748%0.482SS..Hα-helixtrans-66.5-30.6173.2-76.2177.614.100113.3N612 R614 T619 R620N612-Q616 WeakPolarHBondContact O-CB 3.33Å; N612-Q616 VanDerWaalsContact O-CG 3.28Å; N612-Q616 WeakPolarHBondContact O-CG 3.24Å; N612-Q616 PolarHBondContact O-N 3Å; R614-Q616 PolarHBondContact O-N 3.26Å; Q616-T619 PolarHBondContact O-OG1 3.43Å; Q616-R620 WeakPolarHBondContact O-CB 3.35Å; Q616-R620 WeakPolarHBondContact O-CD 3.43Å; Q616-R620 WeakPolarHBondContact O-CG 3.4Å; Q616-R620 PolarHBondContact O-N 2.92Å; Q616-R620 VanDerWaalsContact O-N 3.16Å
617N91.7Very high90.6Very high79 Ų7997 Ų9742%0.42248%0.484SS..Hα-helixtrans-76.9-33.9173-70.3-14.5000111.3T613 R614 Q615 R620 L621T613-N617 WeakPolarHBondContact O-CB 3.38Å; T613-N617 PolarHBondContact O-N 2.97Å; T613-N617 PolarHBondContact O-ND2 3.16Å; R614-N617 CarbonylContact O-C 3.53Å; R614-N617 PolarHBondContact O-N 2.99Å; R614-N617 VanDerWaalsContact O-N 3.12Å; Q615-N617 VanDerWaalsContact C-N 3.31Å; Q615-N617 PolarHBondContact O-N 3.46Å; N617-R620 PolarHBondContact O-N 2.95Å; N617-R620 PolarHBondContact OD1-NH1 3.21Å; N617-L621 WeakPolarHBondContact O-CB 3.46Å; N617-L621 VanDerWaalsContact O-CG 3.23Å; N617-L621 WeakPolarHBondContact O-CG 3.34Å; N617-L621 PolarHBondContact O-N 3.48Å
618E89Confident90.8Very high125 Ų12598 Ų9858%0.58449%0.489SS*.Hα-helixtrans-65.4-46.4174-172.1171.4-162.700111R614 Q615 R620 L621 C622R614-E618 WeakPolarHBondContact O-CB 3.35Å; R614-E618 PolarHBondContact O-N 3.38Å; Q615-E618 WeakPolarHBondContact O-CB 3.45Å; Q615-E618 PolarHBondContact O-N 2.98Å; E618-R620 PolarHBondContact O-N 3.29Å; E618-L621 PolarHBondContact O-N 3.01Å; E618-C622 PolarHBondContact O-N 2.99Å; E618-C622 PolarHBondContact O-SG 3.27Å; E618-C622 VanDerWaalsContact O-SG 3.33Å
619T91.4Very high91Very high75 Ų7598.5 Ų98.546%0.4649%0.489SS..Hα-helixtrans-63.3-40.4173.160.80000112Q615 Q616 C622 E623Q615-T619 WeakPolarHBondContact O-CG2 3.44Å; Q615-T619 PolarHBondContact O-N 3.01Å; Q615-T619 PolarHBondContact O-OG1 2.9Å; Q616-T619 PolarHBondContact O-OG1 3.43Å; T619-C622 PolarHBondContact O-N 3.31Å; T619-E623 WeakPolarHBondContact O-CB 3.38Å; T619-E623 VanDerWaalsContact O-CG 3.32Å; T619-E623 WeakPolarHBondContact O-CG 3.49Å; T619-E623 PolarHBondContact O-N 2.95Å
620R95.7Very high91.3Very high121 Ų121102 Ų10246%0.45750%0.497SS..Hα-helixtrans-62.4-42.2173.9-76.5169.2-168.1164.95.8112.6Q616 N617 E618 C622 E623 E624Q616-R620 WeakPolarHBondContact O-CB 3.35Å; Q616-R620 WeakPolarHBondContact O-CD 3.43Å; Q616-R620 WeakPolarHBondContact O-CG 3.4Å; Q616-R620 PolarHBondContact O-N 2.92Å; Q616-R620 VanDerWaalsContact O-N 3.16Å; N617-R620 PolarHBondContact O-N 2.95Å; N617-R620 PolarHBondContact OD1-NH1 3.21Å; E618-R620 PolarHBondContact O-N 3.29Å; R620-C622 VanDerWaalsContact C-N 3.31Å; R620-C622 PolarHBondContact O-N 3.38Å; R620-E623 PolarHBondContact O-N 3Å; R620-E624 VanDerWaalsContact O-CB 3.32Å; R620-E624 WeakPolarHBondContact O-CB 3.46Å; R620-E624 VanDerWaalsContact O-CG 3.29Å; R620-E624 WeakPolarHBondContact O-CG 3.37Å; R620-E624 PolarHBondContact O-N 3.39Å
621L90.8Very high91.6Very high112 Ų112101 Ų10159%0.58649%0.492SS*.Hα-helixtrans-67.3-32.8176.6-73.5168.2000111.5N617 E618 N625N617-L621 WeakPolarHBondContact O-CB 3.46Å; N617-L621 VanDerWaalsContact O-CG 3.23Å; N617-L621 WeakPolarHBondContact O-CG 3.34Å; N617-L621 PolarHBondContact O-N 3.48Å; E618-L621 PolarHBondContact O-N 3.01Å; L621-N625 WeakPolarHBondContact O-CB 3.41Å; L621-N625 PolarHBondContact O-N 3.44Å
622C91.1Very high91.8Very high80 Ų80103.6 Ų103.654%0.54150%0.501SS..Hα-helixtrans-69.9-40170.3-68.20000112.8E618 T619 R620 S626E618-C622 PolarHBondContact O-N 2.99Å; E618-C622 PolarHBondContact O-SG 3.27Å; E618-C622 VanDerWaalsContact O-SG 3.33Å; T619-C622 PolarHBondContact O-N 3.31Å; R620-C622 VanDerWaalsContact C-N 3.31Å; R620-C622 PolarHBondContact O-N 3.38Å; C622-S626 WeakPolarHBondContact O-CB 3.16Å; C622-S626 PolarHBondContact O-N 3.5Å; C622-S626 PolarHBondContact O-OG 2.96Å
623E94.3Very high91.9Very high118 Ų118105.3 Ų105.355%0.55151%0.506SS*.Hα-helixtrans-62.7-45.5172.5-74166.8-155.900111.2T619 R620 S626 R627T619-E623 WeakPolarHBondContact O-CB 3.38Å; T619-E623 VanDerWaalsContact O-CG 3.32Å; T619-E623 WeakPolarHBondContact O-CG 3.49Å; T619-E623 PolarHBondContact O-N 2.95Å; R620-E623 PolarHBondContact O-N 3Å; E623-S626 PolarHBondContact O-OG 2.79Å; E623-R627 WeakPolarHBondContact O-CB 3.36Å; E623-R627 WeakPolarHBondContact O-CG 3.42Å; E623-R627 PolarHBondContact O-N 3.12Å
624E93.3Very high92.1Very high103 Ų103105.1 Ų105.148%0.48151%0.507SS..Hα-helixtrans-66.3-42.8176.5-74.2170.1-172.900111.6R620 R627 L628R620-E624 VanDerWaalsContact O-CB 3.32Å; R620-E624 WeakPolarHBondContact O-CB 3.46Å; R620-E624 VanDerWaalsContact O-CG 3.29Å; R620-E624 WeakPolarHBondContact O-CG 3.37Å; R620-E624 PolarHBondContact O-N 3.39Å; E624-R627 PolarHBondContact O-N 3.06Å; E624-L628 WeakPolarHBondContact O-CB 3.47Å; E624-L628 VanDerWaalsContact O-CG 3.3Å; E624-L628 WeakPolarHBondContact O-CG 3.19Å; E624-L628 PolarHBondContact O-N 3.42Å
625N89Confident92.5Very high91 Ų91101.4 Ų101.449%0.48750%0.501SS..Hα-helixtrans-67-41.7177.4-167.439.5000111.8L621 R627 L628 E629L621-N625 WeakPolarHBondContact O-CB 3.41Å; L621-N625 PolarHBondContact O-N 3.44Å; N625-R627 VanDerWaalsContact C-N 3.32Å; N625-R627 PolarHBondContact O-N 2.78Å; N625-L628 CarbonylContact O-C 3.56Å; N625-L628 PolarHBondContact O-N 2.81Å; N625-E629 WeakPolarHBondContact O-CG 3.38Å; N625-E629 PolarHBondContact O-N 3.03Å
626S94.4Very high92.7Very high50 Ų50101.8 Ų101.835%0.3550%0.502SS..Hα-helixtrans-66.9-31.9174.857.30000112.8C622 E623 E629 Q630C622-S626 WeakPolarHBondContact O-CB 3.16Å; C622-S626 PolarHBondContact O-N 3.5Å; C622-S626 PolarHBondContact O-OG 2.96Å; E623-S626 PolarHBondContact O-OG 2.79Å; S626-E629 PolarHBondContact O-N 2.96Å; S626-Q630 WeakPolarHBondContact O-CG 3.45Å; S626-Q630 PolarHBondContact O-N 3.01Å
627R96.3Very high92.8Very high141 Ų141101.4 Ų101.453%0.53251%0.507SS..Hα-helixtrans-66-43.7167.4-81.8-169.160.9-132.3-9.1112.6E623 E624 N625 E629 Q630 E631E623-R627 WeakPolarHBondContact O-CB 3.36Å; E623-R627 WeakPolarHBondContact O-CG 3.42Å; E623-R627 PolarHBondContact O-N 3.12Å; E624-R627 PolarHBondContact O-N 3.06Å; N625-R627 VanDerWaalsContact C-N 3.32Å; N625-R627 PolarHBondContact O-N 2.78Å; R627-E629 VanDerWaalsContact C-N 3.28Å; R627-E629 PolarHBondContact O-N 3.46Å; R627-Q630 PolarHBondContact O-N 3.07Å; R627-E631 IonicContact CZ-OE1 3.74Å; R627-E631 IonicContact NE-OE1 3.68Å; R627-E631 IonicContact NH2-OE1 2.79Å; R627-E631 PolarHBondContact NH2-OE1 3.01Å; R627-E631 WeakPolarHBondContact O-CB 3.18Å; R627-E631 WeakPolarHBondContact O-CG 3.42Å; R627-E631 PolarHBondContact O-N 3.31Å
628L93.1Very high92.7Very high104 Ų104103 Ų10355%0.54551%0.511SS..Hα-helixtrans-65.1-31175.7-72.4169.5000112.1E624 N625 K632E624-L628 WeakPolarHBondContact O-CB 3.47Å; E624-L628 VanDerWaalsContact O-CG 3.3Å; E624-L628 WeakPolarHBondContact O-CG 3.19Å; E624-L628 PolarHBondContact O-N 3.42Å; N625-L628 CarbonylContact O-C 3.56Å; N625-L628 PolarHBondContact O-N 2.81Å; L628-K632 WeakPolarHBondContact O-CB 3.46Å; L628-K632 PolarHBondContact O-N 3.05Å
629E91.6Very high92.8Very high102 Ų102101.5 Ų101.548%0.47751%0.507SS..Hα-helixtrans-69.3-39.5170.8-74.9-176.915600112.3N625 S626 R627 Q633N625-E629 WeakPolarHBondContact O-CG 3.38Å; N625-E629 PolarHBondContact O-N 3.03Å; S626-E629 PolarHBondContact O-N 2.96Å; R627-E629 VanDerWaalsContact C-N 3.28Å; R627-E629 PolarHBondContact O-N 3.46Å; E629-Q633 WeakPolarHBondContact O-CB 3.49Å; E629-Q633 VanDerWaalsContact O-CG 3.25Å; E629-Q633 WeakPolarHBondContact O-CG 3.42Å; E629-Q633 PolarHBondContact O-N 3.5Å
630Q93.7Very high92.8Very high123 Ų123103 Ų10358%0.57551%0.509SS*.Hα-helixtrans-66.1-43.9172.6-72.5171.76.600111.9S626 R627 Q633 S634S626-Q630 WeakPolarHBondContact O-CG 3.45Å; S626-Q630 PolarHBondContact O-N 3.01Å; R627-Q630 PolarHBondContact O-N 3.07Å; Q630-Q633 WeakPolarHBondContact O-CB 3.37Å; Q630-Q633 PolarHBondContact O-N 2.95Å; Q630-Q633 VanDerWaalsContact O-N 3.15Å; Q630-S634 PolarHBondContact O-N 3.25Å; Q630-S634 PolarHBondContact O-OG 2.9Å
631E92.7Very high92.5Very high74 Ų74101.4 Ų101.435%0.34651%0.509SS..Hα-helixtrans-66.6-37.3176.8-73.8165.9-161.400111.4R627 S634 L635R627-E631 IonicContact CZ-OE1 3.74Å; R627-E631 IonicContact NE-OE1 3.68Å; R627-E631 IonicContact NH2-OE1 2.79Å; R627-E631 PolarHBondContact NH2-OE1 3.01Å; R627-E631 WeakPolarHBondContact O-CB 3.18Å; R627-E631 WeakPolarHBondContact O-CG 3.42Å; R627-E631 PolarHBondContact O-N 3.31Å; E631-S634 WeakPolarHBondContact CA-OG 3.12Å; E631-S634 PolarHBondContact O-N 3.48Å; E631-S634 PolarHBondContact O-OG 3.3Å; E631-L635 VanDerWaalsContact O-CB 3.25Å; E631-L635 WeakPolarHBondContact O-CB 3.26Å; E631-L635 WeakPolarHBondContact O-CD1 3.41Å; E631-L635 WeakPolarHBondContact O-CG 3.29Å; E631-L635 PolarHBondContact O-N 2.94Å
632K92.5Very high92Very high140 Ų140101.3 Ų101.361%0.60951%0.507SS*.Hα-helixtrans-61.9-40.7169.1174.8-174.3172.3-171.20111.9L628 Q636L628-K632 WeakPolarHBondContact O-CB 3.46Å; L628-K632 PolarHBondContact O-N 3.05Å; K632-Q636 VanDerWaalsContact O-CB 3.23Å; K632-Q636 WeakPolarHBondContact O-CB 3.28Å; K632-Q636 PolarHBondContact O-N 3.34Å
633Q94.1Very high91.9Very high120 Ų120103.1 Ų103.156%0.56151%0.506SS*.Hα-helixtrans-68.3-42.6176.7-74.8171.423.700111.7E629 Q630 Q636 V637E629-Q633 WeakPolarHBondContact O-CB 3.49Å; E629-Q633 VanDerWaalsContact O-CG 3.25Å; E629-Q633 WeakPolarHBondContact O-CG 3.42Å; E629-Q633 PolarHBondContact O-N 3.5Å; Q630-Q633 WeakPolarHBondContact O-CB 3.37Å; Q630-Q633 PolarHBondContact O-N 2.95Å; Q630-Q633 VanDerWaalsContact O-N 3.15Å; Q633-Q636 PolarHBondContact O-N 2.83Å; Q633-V637 WeakPolarHBondContact O-CG2 3.35Å; Q633-V637 PolarHBondContact O-N 3.03Å
634S93.1Very high91.6Very high67 Ų67103.1 Ų103.147%0.46951%0.506SS..Hα-helixtrans-65.4-43.8175.462.30000111.7Q630 E631 Q636 V637 E638Q630-S634 PolarHBondContact O-N 3.25Å; Q630-S634 PolarHBondContact O-OG 2.9Å; E631-S634 WeakPolarHBondContact CA-OG 3.12Å; E631-S634 PolarHBondContact O-N 3.48Å; E631-S634 PolarHBondContact O-OG 3.3Å; S634-Q636 VanDerWaalsContact C-N 3.26Å; S634-Q636 PolarHBondContact O-N 3.24Å; S634-V637 PolarHBondContact O-N 2.94Å; S634-V637 VanDerWaalsContact O-N 3.17Å; S634-E638 WeakPolarHBondContact O-CB 3.43Å; S634-E638 PolarHBondContact O-N 3.18Å
635L93Very high90.9Very high105 Ų105102.9 Ų102.955%0.5551%0.505SS..Hα-helixtrans-63.3-30.9173.7-72.6168.2000112.3E631 L639E631-L635 VanDerWaalsContact O-CB 3.25Å; E631-L635 WeakPolarHBondContact O-CB 3.26Å; E631-L635 WeakPolarHBondContact O-CD1 3.41Å; E631-L635 WeakPolarHBondContact O-CG 3.29Å; E631-L635 PolarHBondContact O-N 2.94Å; L635-L639 WeakPolarHBondContact O-CB 3.44Å; L635-L639 PolarHBondContact O-N 2.64Å
636Q93.9Very high90.3Very high107 Ų107103.8 Ų103.850%0.551%0.506SS..Hα-helixtrans-70.8-37.2174.2-178.8172.1-13.500112K632 Q633 S634 Q640K632-Q636 VanDerWaalsContact O-CB 3.23Å; K632-Q636 WeakPolarHBondContact O-CB 3.28Å; K632-Q636 PolarHBondContact O-N 3.34Å; Q633-Q636 PolarHBondContact O-N 2.83Å; S634-Q636 VanDerWaalsContact C-N 3.26Å; S634-Q636 PolarHBondContact O-N 3.24Å; Q636-Q640 WeakPolarHBondContact O-CG 3.18Å; Q636-Q640 PolarHBondContact O-N 2.89Å
637V94.8Very high89.5Confident93 Ų93107.5 Ų107.556%0.56452%0.518SS*.Hα-helixtrans-70.5-43.6172.9172.70000111Q633 S634 L639 Q640 L641Q633-V637 WeakPolarHBondContact O-CG2 3.35Å; Q633-V637 PolarHBondContact O-N 3.03Å; S634-V637 PolarHBondContact O-N 2.94Å; S634-V637 VanDerWaalsContact O-N 3.17Å; V637-L639 VanDerWaalsContact C-N 3.33Å; V637-L639 PolarHBondContact O-N 2.79Å; V637-Q640 CarbonylContact O-C 3.55Å; V637-Q640 WeakPolarHBondContact O-CA 3.45Å; V637-Q640 WeakPolarHBondContact O-CB 3.49Å; V637-Q640 PolarHBondContact O-N 3.46Å; V637-L641 PolarHBondContact O-N 3Å
638E90Very high88.6Confident111 Ų111106.1 Ų106.152%0.51952%0.52SS..Hα-helixtrans-62.2-39.4175.1-172.9174.9-165.400111.5S634 Q640 L641 M642S634-E638 WeakPolarHBondContact O-CB 3.43Å; S634-E638 PolarHBondContact O-N 3.18Å; E638-Q640 VanDerWaalsContact C-N 3.3Å; E638-Q640 PolarHBondContact O-N 3.34Å; E638-L641 WeakPolarHBondContact O-CB 3.35Å; E638-L641 PolarHBondContact O-N 3.49Å; E638-M642 WeakPolarHBondContact O-CB 3.47Å; E638-M642 WeakPolarHBondContact O-CG 3.35Å; E638-M642 PolarHBondContact O-N 3.39Å
639L89.2Confident87.4Confident94 Ų94103.3 Ų103.349%0.49251%0.512SS..Hα-helixtrans-72-20.8173.5-174.2135000113.1L635 V637 K643L635-L639 WeakPolarHBondContact O-CB 3.44Å; L635-L639 PolarHBondContact O-N 2.64Å; V637-L639 VanDerWaalsContact C-N 3.33Å; V637-L639 PolarHBondContact O-N 2.79Å; L639-K643 HydrophobicContact CD2-CD 4.15Å; L639-K643 WeakPolarHBondContact O-CB 3.46Å; L639-K643 VanDerWaalsContact O-CD 3.31Å; L639-K643 WeakPolarHBondContact O-CD 3.29Å; L639-K643 WeakPolarHBondContact O-CG 3.31Å; L639-K643 PolarHBondContact O-N 3.46Å
640Q91.7Very high86.3Confident107 Ų107103 Ų10350%0.551%0.509SS..Hα-helixtrans-77-41.9166.3-77.6177.3-13.600111.3Q636 V637 E638 K643 Q644Q636-Q640 WeakPolarHBondContact O-CG 3.18Å; Q636-Q640 PolarHBondContact O-N 2.89Å; V637-Q640 CarbonylContact O-C 3.55Å; V637-Q640 WeakPolarHBondContact O-CA 3.45Å; V637-Q640 WeakPolarHBondContact O-CB 3.49Å; V637-Q640 PolarHBondContact O-N 3.46Å; E638-Q640 VanDerWaalsContact C-N 3.3Å; E638-Q640 PolarHBondContact O-N 3.34Å; Q640-K643 WeakPolarHBondContact O-CB 3.46Å; Q640-K643 PolarHBondContact O-N 3.38Å; Q640-Q644 WeakPolarHBondContact O-CG 3.37Å; Q640-Q644 PolarHBondContact O-N 3.05Å
641L90.1Very high85Confident88 Ų88102 Ų10246%0.46151%0.511SS..Hα-helixtrans-60.4-53.8174.8-170.375.7000110.6V637 E638 K643 Q644 E645V637-L641 PolarHBondContact O-N 3Å; E638-L641 WeakPolarHBondContact O-CB 3.35Å; E638-L641 PolarHBondContact O-N 3.49Å; L641-K643 PolarHBondContact O-N 2.9Å; L641-K643 VanDerWaalsContact O-N 3.13Å; L641-Q644 CarbonylContact O-C 3.59Å; L641-Q644 WeakPolarHBondContact O-CA 3.41Å; L641-Q644 WeakPolarHBondContact O-CB 3.39Å; L641-Q644 PolarHBondContact O-N 3.31Å; L641-E645 PolarHBondContact O-N 2.92Å
642M80.8Confident83.3Confident110 Ų110105.3 Ų105.354%0.54253%0.527SS..Hα-helixtrans-56.9-28.8174.7-74.9-65.8-59.900113.2E638 Q646E638-M642 WeakPolarHBondContact O-CB 3.47Å; E638-M642 WeakPolarHBondContact O-CG 3.35Å; E638-M642 PolarHBondContact O-N 3.39Å; M642-Q646 WeakPolarHBondContact O-CB 3.42Å; M642-Q646 PolarHBondContact O-N 2.68Å
643K87.7Confident81.3Confident118 Ų118101.2 Ų101.251%0.51351%0.514SS..Hα-helixtrans-76-38.1172.5-81.5172.4-178.5177.50112.5L639 Q640 L641 Q646 Q647L639-K643 HydrophobicContact CD2-CD 4.15Å; L639-K643 WeakPolarHBondContact O-CB 3.46Å; L639-K643 VanDerWaalsContact O-CD 3.31Å; L639-K643 WeakPolarHBondContact O-CD 3.29Å; L639-K643 WeakPolarHBondContact O-CG 3.31Å; L639-K643 PolarHBondContact O-N 3.46Å; Q640-K643 WeakPolarHBondContact O-CB 3.46Å; Q640-K643 PolarHBondContact O-N 3.38Å; L641-K643 PolarHBondContact O-N 2.9Å; L641-K643 VanDerWaalsContact O-N 3.13Å; K643-Q646 PolarHBondContact O-N 3.43Å; K643-Q647 WeakPolarHBondContact O-CB 3.18Å; K643-Q647 WeakPolarHBondContact O-CG 3.36Å; K643-Q647 PolarHBondContact O-N 2.86Å
644Q88.3Confident79.2Confident117 Ų117100.4 Ų100.455%0.54751%0.508SS..Hα-helixtrans-68.1-44.2173-71.7178.7-3.600110.9Q640 L641 Q646 Q647 L648Q640-Q644 WeakPolarHBondContact O-CG 3.37Å; Q640-Q644 PolarHBondContact O-N 3.05Å; L641-Q644 CarbonylContact O-C 3.59Å; L641-Q644 WeakPolarHBondContact O-CA 3.41Å; L641-Q644 WeakPolarHBondContact O-CB 3.39Å; L641-Q644 PolarHBondContact O-N 3.31Å; Q644-Q646 PolarHBondContact O-N 2.91Å; Q644-Q647 CarbonylContact O-C 3.52Å; Q644-Q647 PolarHBondContact O-N 3.26Å; Q644-Q647 VanDerWaalsContact O-N 3.1Å; Q644-L648 WeakPolarHBondContact O-CB 3.36Å; Q644-L648 WeakPolarHBondContact O-CG 3.42Å; Q644-L648 PolarHBondContact O-N 2.95Å
645E79.6Confident77.2Confident99 Ų99102 Ų10246%0.46352%0.519SS..Hα-helixtrans-61-41.2171.8-70.2-176.3172.400111.6L641 Q647 L648 A649L641-E645 PolarHBondContact O-N 2.92Å; E645-Q647 VanDerWaalsContact C-N 3.33Å; E645-Q647 PolarHBondContact O-N 2.78Å; E645-L648 PolarHBondContact O-N 2.93Å; E645-A649 WeakPolarHBondContact O-CB 3.37Å; E645-A649 PolarHBondContact O-N 2.82Å
646Q76Confident75.2Confident110 Ų110100.4 Ų100.451%0.51451%0.514SS..Hα-helixtrans-65.7-34.2172.7-165.8-166.876.200112.3M642 K643 Q644 K650M642-Q646 WeakPolarHBondContact O-CB 3.42Å; M642-Q646 PolarHBondContact O-N 2.68Å; K643-Q646 PolarHBondContact O-N 3.43Å; Q644-Q646 PolarHBondContact O-N 2.91Å; Q646-K650 HydrophobicContact CG-CD 4.29Å; Q646-K650 WeakPolarHBondContact O-CB 3.43Å; Q646-K650 WeakPolarHBondContact O-CD 3.42Å; Q646-K650 WeakPolarHBondContact O-CG 3.49Å; Q646-K650 PolarHBondContact O-N 2.82Å
647Q77.9Confident73.3Confident127 Ų12799.6 Ų99.659%0.59352%0.52SS*.Hα-helixtrans-70.2-41.9174.6-78.1177.9-9.700111.8K643 Q644 E645 K650 V651K643-Q647 WeakPolarHBondContact O-CB 3.18Å; K643-Q647 WeakPolarHBondContact O-CG 3.36Å; K643-Q647 PolarHBondContact O-N 2.86Å; Q644-Q647 CarbonylContact O-C 3.52Å; Q644-Q647 PolarHBondContact O-N 3.26Å; Q644-Q647 VanDerWaalsContact O-N 3.1Å; E645-Q647 VanDerWaalsContact C-N 3.33Å; E645-Q647 PolarHBondContact O-N 2.78Å; Q647-K650 PolarHBondContact O-N 2.77Å; Q647-V651 WeakPolarHBondContact O-CG2 3.42Å; Q647-V651 PolarHBondContact O-N 2.74Å
648L76.9Confident71.3Confident112 Ų112101.5 Ų101.559%0.58653%0.527SS*.Hα-helixtrans-65.7-40.2174-68.6169.8000111.5Q644 E645 V651 Q652Q644-L648 WeakPolarHBondContact O-CB 3.36Å; Q644-L648 WeakPolarHBondContact O-CG 3.42Å; Q644-L648 PolarHBondContact O-N 2.95Å; E645-L648 PolarHBondContact O-N 2.93Å; L648-V651 CarbonylContact O-C 3.53Å; L648-V651 PolarHBondContact O-N 3.12Å; L648-Q652 WeakPolarHBondContact O-CG 3.41Å; L648-Q652 PolarHBondContact O-N 2.92Å
649A68.8Low69.6Low45 Ų45100 Ų10037%0.37252%0.521SS..Hα-helixtrans-64-42173.600000111.4E645 V651 Q652 T653E645-A649 WeakPolarHBondContact O-CB 3.37Å; E645-A649 PolarHBondContact O-N 2.82Å; A649-V651 PolarHBondContact O-N 3.37Å; A649-Q652 CarbonylContact O-C 3.57Å; A649-Q652 WeakPolarHBondContact O-CA 3.26Å; A649-Q652 WeakPolarHBondContact O-CB 3.45Å; A649-Q652 PolarHBondContact O-N 2.81Å; A649-T653 WeakPolarHBondContact O-CG2 3.4Å; A649-T653 PolarHBondContact O-N 2.91Å
650K68.4Low68.3Low96 Ų9699.4 Ų99.442%0.41752%0.517SS..Hα-helixtrans-61.2-42.4172.1-78.1164.5174171.70112.1Q646 Q647 Q652 T653 F654Q646-K650 HydrophobicContact CG-CD 4.29Å; Q646-K650 WeakPolarHBondContact O-CB 3.43Å; Q646-K650 WeakPolarHBondContact O-CD 3.42Å; Q646-K650 WeakPolarHBondContact O-CG 3.49Å; Q646-K650 PolarHBondContact O-N 2.82Å; Q647-K650 PolarHBondContact O-N 2.77Å; K650-Q652 PolarHBondContact O-N 3.44Å; K650-T653 PolarHBondContact O-N 3.06Å; K650-T653 PolarHBondContact O-OG1 2.89Å; K650-F654 HydrophobicContact CB-CE2 4.34Å; K650-F654 HydrophobicContact CB-CZ 4.44Å; K650-F654 WeakPolarHBondContact O-CD2 3.44Å; K650-F654 WeakPolarHBondContact O-CG 3.28Å; K650-F654 PolarHBondContact O-N 2.9Å
651V65.3Low67Low102 Ų10297.8 Ų97.862%0.61852%0.517SS*.Hα-helixtrans-61.9-26.5172.3170.20000111.9Q647 L648 A649Q647-V651 WeakPolarHBondContact O-CG2 3.42Å; Q647-V651 PolarHBondContact O-N 2.74Å; L648-V651 CarbonylContact O-C 3.53Å; L648-V651 PolarHBondContact O-N 3.12Å; A649-V651 PolarHBondContact O-N 3.37Å
652Q57.3Low66.1Low144 Ų144100.9 Ų100.967%0.67353%0.53SS*.Hα-helixtrans-84.1-33.2171.9-69.6175.15.400113.8L648 A649 K650 S655L648-Q652 WeakPolarHBondContact O-CG 3.41Å; L648-Q652 PolarHBondContact O-N 2.92Å; A649-Q652 CarbonylContact O-C 3.57Å; A649-Q652 WeakPolarHBondContact O-CA 3.26Å; A649-Q652 WeakPolarHBondContact O-CB 3.45Å; A649-Q652 PolarHBondContact O-N 2.81Å; K650-Q652 PolarHBondContact O-N 3.44Å; Q652-S655 WeakPolarHBondContact O-CB 3.46Å; Q652-S655 PolarHBondContact O-N 3.06Å; Q652-S655 VanDerWaalsContact O-N 3.09Å
653T50.1Low65.6Low54 Ų5499.6 Ų99.633%0.33152%0.524SS..Hα-helixtrans-73.2-28.9175.168.90000112.3A649 K650 S655 T656 E659A649-T653 WeakPolarHBondContact O-CG2 3.4Å; A649-T653 PolarHBondContact O-N 2.91Å; K650-T653 PolarHBondContact O-N 3.06Å; K650-T653 PolarHBondContact O-OG1 2.89Å; T653-S655 PolarHBondContact O-N 3.05Å; T653-T656 WeakPolarHBondContact O-CB 3.41Å; T653-T656 PolarHBondContact O-N 3.31Å; T653-T656 PolarHBondContact O-OG1 3.42Å; T653-E659 WeakPolarHBondContact CB-OE2 3.46Å; T653-E659 PolarHBondContact OG1-OE2 3.24Å
654F50.2Low64.8Low102 Ų10299.6 Ų99.645%0.44753%0.526SS..THydrogen-bonded Turntrans-62.5-3.1165.8-59.4-31000113.9K650 I660 L663K650-F654 HydrophobicContact CB-CE2 4.34Å; K650-F654 HydrophobicContact CB-CZ 4.44Å; K650-F654 WeakPolarHBondContact O-CD2 3.44Å; K650-F654 WeakPolarHBondContact O-CG 3.28Å; K650-F654 PolarHBondContact O-N 2.9Å; F654-I660 WeakPolarHBondContact O-CD1 3.48Å; F654-L663 HydrophobicContact CD1-CD1 3.69Å; F654-L663 HydrophobicContact CE1-CD1 3.7Å
655S52Low64.2Low101 Ų10195 Ų9571%0.70651%0.511SS*.THydrogen-bonded Turntrans-92.63.6167.3-165.60000113.4Q652 T653Q652-S655 WeakPolarHBondContact O-CB 3.46Å; Q652-S655 PolarHBondContact O-N 3.06Å; Q652-S655 VanDerWaalsContact O-N 3.09Å; T653-S655 PolarHBondContact O-N 3.05Å
656T50.6Low64.1Low72 Ų7295.9 Ų95.944%0.44252%0.518SS..SBendtrans-101133.5174.869.90000110.3T653 D658T653-T656 WeakPolarHBondContact O-CB 3.41Å; T653-T656 PolarHBondContact O-N 3.31Å; T653-T656 PolarHBondContact O-OG1 3.42Å; T656-D658 VanDerWaalsContact C-N 3.28Å; T656-D658 PolarHBondContact O-N 3.32Å; T656-D658 VanDerWaalsContact O-N 3.16Å
657S53Low64.2Low90 Ų9094.4 Ų94.463%0.62951%0.511SS*.Hα-helixtrans-66.5-23.7-159.6-163.10000115.5S661S657-S661 PolarHBondContact O-OG 3.2Å
658D52.8Low64.2Low132 Ų13293.3 Ų93.371%0.70651%0.505SS*.Hα-helixtrans-85.7-39.8-170.8-60.1-23000111.5T656 I660 S661 E662T656-D658 VanDerWaalsContact C-N 3.28Å; T656-D658 PolarHBondContact O-N 3.32Å; T656-D658 VanDerWaalsContact O-N 3.16Å; D658-I660 PolarHBondContact O-N 2.93Å; D658-S661 WeakPolarHBondContact O-CB 3.38Å; D658-S661 PolarHBondContact O-N 3.45Å; D658-E662 PolarHBondContact O-N 2.98Å
659E55.9Low64.5Low81 Ų8193.1 Ų93.138%0.37950%0.502SS..Hα-helixtrans-60.5-33.1174.9-66.4-169165.400111.8T653 S661 E662 L663T653-E659 WeakPolarHBondContact CB-OE2 3.46Å; T653-E659 PolarHBondContact OG1-OE2 3.24Å; E659-S661 VanDerWaalsContact C-N 3.26Å; E659-S661 PolarHBondContact O-N 2.88Å; E659-E662 PolarHBondContact O-N 2.81Å; E659-L663 WeakPolarHBondContact O-CB 3.49Å; E659-L663 WeakPolarHBondContact O-CD1 3.47Å; E659-L663 VanDerWaalsContact O-CG 3.25Å; E659-L663 WeakPolarHBondContact O-CG 3.41Å; E659-L663 PolarHBondContact O-N 2.9Å
660I59.9Low65.4Low80 Ų8099.4 Ų99.441%0.4152%0.515SS..Hα-helixtrans-61.3-36.7176.3-58.9172.8000111F654 D658 Q664F654-I660 WeakPolarHBondContact O-CD1 3.48Å; D658-I660 PolarHBondContact O-N 2.93Å; I660-Q664 WeakPolarHBondContact O-CB 3.46Å; I660-Q664 PolarHBondContact O-N 2.84Å
661S66.4Low66.4Low74 Ų74100 Ų10052%0.51752%0.52SS..Hα-helixtrans-72.5-41-177.7-59.60000112.1S657 D658 E659 Q664 G665S657-S661 PolarHBondContact O-OG 3.2Å; D658-S661 WeakPolarHBondContact O-CB 3.38Å; D658-S661 PolarHBondContact O-N 3.45Å; E659-S661 VanDerWaalsContact C-N 3.26Å; E659-S661 PolarHBondContact O-N 2.88Å; S661-Q664 PolarHBondContact O-N 2.71Å; S661-G665 PolarHBondContact O-N 3.26Å
662E70.2Confident67.5Low153 Ų153100.1 Ų100.172%0.71551%0.514SS*.Hα-helixtrans-66.5-40.1173.8-65.6-165.5161.700111.8D658 E659 Q664 G665 L666D658-E662 PolarHBondContact O-N 2.98Å; E659-E662 PolarHBondContact O-N 2.81Å; E662-Q664 VanDerWaalsContact C-N 3.3Å; E662-Q664 PolarHBondContact O-N 3.38Å; E662-G665 PolarHBondContact O-N 3.38Å; E662-L666 WeakPolarHBondContact O-CG 3.42Å; E662-L666 PolarHBondContact O-N 3.31Å
663L70.4Confident69.1Low82 Ų8296.6 Ų96.643%0.42950%0.502SS..Hα-helixtrans-62.4-37.2173.3-72.5167.8000112.1F654 E659 L666 Q667F654-L663 HydrophobicContact CD1-CD1 3.69Å; F654-L663 HydrophobicContact CE1-CD1 3.7Å; E659-L663 WeakPolarHBondContact O-CB 3.49Å; E659-L663 WeakPolarHBondContact O-CD1 3.47Å; E659-L663 VanDerWaalsContact O-CG 3.25Å; E659-L663 WeakPolarHBondContact O-CG 3.41Å; E659-L663 PolarHBondContact O-N 2.9Å; L663-L666 PolarHBondContact O-N 3.43Å; L663-Q667 VanDerWaalsContact O-CB 3.26Å; L663-Q667 WeakPolarHBondContact O-CB 3.28Å; L663-Q667 PolarHBondContact O-N 2.82Å
664Q70.8Confident71.1Confident119 Ų11996.2 Ų96.256%0.55650%0.504SS*.Hα-helixtrans-67.8-39.3176.7-166.716918.700111.9I660 S661 E662 Q667 Q668I660-Q664 WeakPolarHBondContact O-CB 3.46Å; I660-Q664 PolarHBondContact O-N 2.84Å; S661-Q664 PolarHBondContact O-N 2.71Å; E662-Q664 VanDerWaalsContact C-N 3.3Å; E662-Q664 PolarHBondContact O-N 3.38Å; Q664-Q667 PolarHBondContact O-N 3.19Å; Q664-Q668 WeakPolarHBondContact O-CG 3.35Å; Q664-Q668 PolarHBondContact O-N 2.59Å
665G75.8Confident73.1Confident21 Ų2194.1 Ų94.122%0.21651%0.506CS..Hα-helixtrans-64.8-43.5172.100000113.1S661 E662 Q667 Q668 H669S661-G665 PolarHBondContact O-N 3.26Å; E662-G665 PolarHBondContact O-N 3.38Å; G665-Q667 VanDerWaalsContact C-N 3.3Å; G665-Q667 PolarHBondContact O-N 2.86Å; G665-Q668 PolarHBondContact O-N 3.45Å; G665-H669 PolarHBondContact O-CD2 3.09Å; G665-H669 PolarHBondContact O-N 2.77Å
666L76.6Confident75Confident117 Ų11794.9 Ų94.961%0.61350%0.501SS*.Hα-helixtrans-64.5-33.8174.3-71.6173.4000112.6E662 L663 R670E662-L666 WeakPolarHBondContact O-CG 3.42Å; E662-L666 PolarHBondContact O-N 3.31Å; L663-L666 PolarHBondContact O-N 3.43Å; L666-R670 WeakPolarHBondContact O-CB 3.2Å; L666-R670 PolarHBondContact O-N 2.83Å
667Q79.7Confident76.9Confident79 Ų7997.9 Ų97.937%0.36951%0.508SS..Hα-helixtrans-70.3-40.5174.1-178.762.118.200111.6L663 Q664 G665 R670 E671L663-Q667 VanDerWaalsContact O-CB 3.26Å; L663-Q667 WeakPolarHBondContact O-CB 3.28Å; L663-Q667 PolarHBondContact O-N 2.82Å; Q664-Q667 PolarHBondContact O-N 3.19Å; G665-Q667 VanDerWaalsContact C-N 3.3Å; G665-Q667 PolarHBondContact O-N 2.86Å; Q667-R670 WeakPolarHBondContact O-CB 3.48Å; Q667-R670 PolarHBondContact O-N 3.37Å; Q667-R670 VanDerWaalsContact O-N 3.17Å; Q667-E671 WeakPolarHBondContact CG-OE1 3.47Å; Q667-E671 PolarHBondContact NE2-OE1 2.97Å; Q667-E671 WeakPolarHBondContact O-CG 3.33Å; Q667-E671 PolarHBondContact O-N 3.03Å
668Q76.3Confident78.8Confident103 Ų10398.2 Ų98.248%0.48150%0.503SS..Hα-helixtrans-58.3-50.2172.1-75.9168.6-6.700111.2Q664 G665 R670 E671 E672Q664-Q668 WeakPolarHBondContact O-CG 3.35Å; Q664-Q668 PolarHBondContact O-N 2.59Å; G665-Q668 PolarHBondContact O-N 3.45Å; Q668-R670 PolarHBondContact O-N 2.83Å; Q668-E671 CarbonylContact O-C 3.59Å; Q668-E671 PolarHBondContact O-N 2.97Å; Q668-E672 WeakPolarHBondContact O-CG 3.45Å; Q668-E672 PolarHBondContact O-N 3.08Å
669H83.7Confident80.8Confident109 Ų10997.8 Ų97.851%0.50550%0.495SS..Hα-helixtrans-61.9-30.8176-65.5-37.6000113.4G665 E672 V673G665-H669 PolarHBondContact O-CD2 3.09Å; G665-H669 PolarHBondContact O-N 2.77Å; H669-E672 WeakPolarHBondContact CA-OE2 3.5Å; H669-E672 IonicContact CE1-OE2 3.41Å; H669-E672 IonicContact CG-OE2 3.96Å; H669-E672 IonicContact ND1-OE2 3.6Å; H669-E672 PolarHBondContact ND1-OE2 3.36Å; H669-V673 WeakPolarHBondContact O-CB 3.42Å; H669-V673 VanDerWaalsContact O-CG2 3.23Å; H669-V673 WeakPolarHBondContact O-CG2 3.26Å; H669-V673 PolarHBondContact O-N 2.87Å
670R88.2Confident82.6Confident176 Ų17699.8 Ų99.866%0.66451%0.507SS*.Hα-helixtrans-69.3-37.7173.4-172.5-178.4-175.41792.1112.2L666 Q667 Q668 A674L666-R670 WeakPolarHBondContact O-CB 3.2Å; L666-R670 PolarHBondContact O-N 2.83Å; Q667-R670 WeakPolarHBondContact O-CB 3.48Å; Q667-R670 PolarHBondContact O-N 3.37Å; Q667-R670 VanDerWaalsContact O-N 3.17Å; Q668-R670 PolarHBondContact O-N 2.83Å; R670-A674 WeakPolarHBondContact O-CB 3.46Å; R670-A674 PolarHBondContact O-N 2.95Å
671E88.8Confident84Confident108 Ų108103 Ų10351%0.50551%0.514SS..Hα-helixtrans-72.8-40.5176.2-73.2169.2-170.200111.7Q667 Q668 A674 A675Q667-E671 WeakPolarHBondContact CG-OE1 3.47Å; Q667-E671 PolarHBondContact NE2-OE1 2.97Å; Q667-E671 WeakPolarHBondContact O-CG 3.33Å; Q667-E671 PolarHBondContact O-N 3.03Å; Q668-E671 CarbonylContact O-C 3.59Å; Q668-E671 PolarHBondContact O-N 2.97Å; E671-A674 CarbonylContact O-C 3.52Å; E671-A674 WeakPolarHBondContact O-CB 3.45Å; E671-A674 PolarHBondContact O-N 3.18Å; E671-A674 VanDerWaalsContact O-N 3.15Å; E671-A675 WeakPolarHBondContact O-CB 3.46Å; E671-A675 PolarHBondContact O-N 3.13Å
672E89.9Confident85.2Confident106 Ų106106.3 Ų106.350%0.49552%0.515SS..Hα-helixtrans-57.8-48.6170-71.2171.1161.900111.3Q668 H669 A674 A675 L676Q668-E672 WeakPolarHBondContact O-CG 3.45Å; Q668-E672 PolarHBondContact O-N 3.08Å; H669-E672 WeakPolarHBondContact CA-OE2 3.5Å; H669-E672 IonicContact CE1-OE2 3.41Å; H669-E672 IonicContact CG-OE2 3.96Å; H669-E672 IonicContact ND1-OE2 3.6Å; H669-E672 PolarHBondContact ND1-OE2 3.36Å; E672-A674 VanDerWaalsContact C-N 3.28Å; E672-A674 PolarHBondContact O-N 2.71Å; E672-A675 PolarHBondContact O-N 3.18Å; E672-L676 WeakPolarHBondContact O-CB 3.33Å; E672-L676 VanDerWaalsContact O-CG 3.32Å; E672-L676 WeakPolarHBondContact O-CG 3.45Å; E672-L676 PolarHBondContact O-N 3.42Å
673V90.9Very high86.2Confident70 Ų70104.4 Ų104.442%0.42451%0.505SS..Hα-helixtrans-63.9-32.3175.8166.70000111.8H669 K677H669-V673 WeakPolarHBondContact O-CB 3.42Å; H669-V673 VanDerWaalsContact O-CG2 3.23Å; H669-V673 WeakPolarHBondContact O-CG2 3.26Å; H669-V673 PolarHBondContact O-N 2.87Å; V673-K677 HydrophobicContact CG1-CD 4.07Å; V673-K677 WeakPolarHBondContact O-CB 3.37Å; V673-K677 WeakPolarHBondContact O-CD 3.33Å; V673-K677 WeakPolarHBondContact O-CG 3.49Å; V673-K677 PolarHBondContact O-N 2.78Å
674A90.4Very high87.1Confident46 Ų46103.2 Ų103.238%0.3851%0.507SS..Hα-helixtrans-71.2-43.2173.500000112R670 E671 E672 K677 N678R670-A674 WeakPolarHBondContact O-CB 3.46Å; R670-A674 PolarHBondContact O-N 2.95Å; E671-A674 CarbonylContact O-C 3.52Å; E671-A674 WeakPolarHBondContact O-CB 3.45Å; E671-A674 PolarHBondContact O-N 3.18Å; E671-A674 VanDerWaalsContact O-N 3.15Å; E672-A674 VanDerWaalsContact C-N 3.28Å; E672-A674 PolarHBondContact O-N 2.71Å; A674-K677 PolarHBondContact O-N 3.45Å; A674-N678 PolarHBondContact O-N 3.48Å
675A91.9Very high88.1Confident58 Ų58102.3 Ų102.348%0.47950%0.503SS..Hα-helixtrans-62.9-43.8176.200000111.7E671 E672 N678 K679E671-A675 WeakPolarHBondContact O-CB 3.46Å; E671-A675 PolarHBondContact O-N 3.13Å; E672-A675 PolarHBondContact O-N 3.18Å; A675-N678 PolarHBondContact O-N 3.16Å; A675-K679 WeakPolarHBondContact O-CB 3.29Å; A675-K679 PolarHBondContact O-N 3.33Å
676L93Very high88.7Confident116 Ų116103.8 Ų103.861%0.60751%0.506SS*.Hα-helixtrans-63.9-39.2174.4-71.2172.2000112.1E672 K679 L680E672-L676 WeakPolarHBondContact O-CB 3.33Å; E672-L676 VanDerWaalsContact O-CG 3.32Å; E672-L676 WeakPolarHBondContact O-CG 3.45Å; E672-L676 PolarHBondContact O-N 3.42Å; L676-K679 PolarHBondContact O-N 2.99Å; L676-L680 WeakPolarHBondContact O-CB 3.42Å; L676-L680 PolarHBondContact O-N 3.26Å
677K90.3Very high89.3Confident135 Ų135102.9 Ų102.959%0.58750%0.498SS*.Hα-helixtrans-65.1-40.2173.3-78.1168.4-178.3172.30112.6V673 A674 L680 R681V673-K677 HydrophobicContact CG1-CD 4.07Å; V673-K677 WeakPolarHBondContact O-CB 3.37Å; V673-K677 WeakPolarHBondContact O-CD 3.33Å; V673-K677 WeakPolarHBondContact O-CG 3.49Å; V673-K677 PolarHBondContact O-N 2.78Å; A674-K677 PolarHBondContact O-N 3.45Å; K677-L680 PolarHBondContact O-N 3.12Å; K677-R681 WeakPolarHBondContact O-CB 3.48Å; K677-R681 PolarHBondContact O-N 3.39Å
678N93.7Very high89.8Confident98 Ų98104.1 Ų104.152%0.52450%0.504SS..Hα-helixtrans-67.2-40.1175.2-72.4-16.9000111.5A674 A675 R681 W682A674-N678 PolarHBondContact O-N 3.48Å; A675-N678 PolarHBondContact O-N 3.16Å; N678-R681 PolarHBondContact O-N 2.86Å; N678-W682 PolarHBondContact O-N 2.83Å
679K93.9Very high90.5Very high123 Ų123103.8 Ų103.854%0.53551%0.505SS..Hα-helixtrans-65.5-39.2174.7-165.3174.6-175.3175.80112.1A675 L676 W682 F683A675-K679 WeakPolarHBondContact O-CB 3.29Å; A675-K679 PolarHBondContact O-N 3.33Å; L676-K679 PolarHBondContact O-N 2.99Å; K679-W682 PolarHBondContact O-N 3.42Å; K679-F683 HydrophobicContact CD-CE2 4.26Å; K679-F683 HydrophobicContact CG-CD2 4.2Å; K679-F683 HydrophobicContact CG-CE2 3.77Å; K679-F683 WeakPolarHBondContact O-CD2 3.47Å; K679-F683 PolarHBondContact O-N 3.08Å
680L93.2Very high90.8Very high122 Ų122103.9 Ų103.964%0.63951%0.509SS*.Hα-helixtrans-64.7-41.9173.3-177.963.7000112L676 K677 F683 A684L676-L680 WeakPolarHBondContact O-CB 3.42Å; L676-L680 PolarHBondContact O-N 3.26Å; K677-L680 PolarHBondContact O-N 3.12Å; L680-F683 PolarHBondContact O-N 2.89Å; L680-A684 PolarHBondContact O-N 3.36Å
681R89.5Confident91Very high148 Ų148100 Ų10056%0.55850%0.502SS*.Hα-helixtrans-59.7-46.6172.4172.1178.9-74.7151.5-6.7111.3K677 N678 F683 A684 E685K677-R681 WeakPolarHBondContact O-CB 3.48Å; K677-R681 PolarHBondContact O-N 3.39Å; N678-R681 PolarHBondContact O-N 2.86Å; R681-F683 VanDerWaalsContact C-N 3.33Å; R681-F683 PolarHBondContact O-N 2.79Å; R681-A684 WeakPolarHBondContact O-CB 3.34Å; R681-A684 PolarHBondContact O-N 2.85Å; R681-A684 VanDerWaalsContact O-N 3.08Å; R681-E685 VanDerWaalsContact CD-OE1 3.24Å; R681-E685 WeakPolarHBondContact CD-OE1 3.2Å; R681-E685 HydrophobicContact CG-CG 4.27Å; R681-E685 WeakPolarHBondContact CG-OE1 3.28Å; R681-E685 WeakPolarHBondContact O-CG 3.25Å; R681-E685 PolarHBondContact O-N 3.47Å
682W93.1Very high91.3Very high143 Ų143101.2 Ų101.254%0.54250%0.501SS..Hα-helixtrans-60.7-39.3177.4-176.682.6000112.6N678 K679 N686N678-W682 PolarHBondContact O-N 2.83Å; K679-W682 PolarHBondContact O-N 3.42Å; W682-N686 WeakPolarHBondContact CH2-ND2 3.2Å; W682-N686 WeakPolarHBondContact CZ2-ND2 3.44Å; W682-N686 VanDerWaalsContact CZ3-ND2 3.3Å; W682-N686 WeakPolarHBondContact CZ3-ND2 3.27Å; W682-N686 WeakPolarHBondContact O-CB 3.47Å; W682-N686 PolarHBondContact O-N 3.4Å
683F91.1Very high91.4Very high113 Ų11399.7 Ų99.750%0.49650%0.497SS..Hα-helixtrans-64.6-38.6172.1-75-55.7000112.8K679 L680 R681 Q687K679-F683 HydrophobicContact CD-CE2 4.26Å; K679-F683 HydrophobicContact CG-CD2 4.2Å; K679-F683 HydrophobicContact CG-CE2 3.77Å; K679-F683 WeakPolarHBondContact O-CD2 3.47Å; K679-F683 PolarHBondContact O-N 3.08Å; L680-F683 PolarHBondContact O-N 2.89Å; R681-F683 VanDerWaalsContact C-N 3.33Å; R681-F683 PolarHBondContact O-N 2.79Å; F683-Q687 WeakPolarHBondContact O-CB 3.3Å; F683-Q687 PolarHBondContact O-N 3.27Å
684A89.5Confident91.4Very high57 Ų5798.2 Ų98.247%0.47149%0.492SS..Hα-helixtrans-67.5-43.8175.800000112.3L680 R681 N686 Q687 E688L680-A684 PolarHBondContact O-N 3.36Å; R681-A684 WeakPolarHBondContact O-CB 3.34Å; R681-A684 PolarHBondContact O-N 2.85Å; R681-A684 VanDerWaalsContact O-N 3.08Å; A684-N686 VanDerWaalsContact C-N 3.35Å; A684-N686 PolarHBondContact O-N 2.97Å; A684-Q687 PolarHBondContact O-N 2.91Å; A684-E688 PolarHBondContact O-N 3.32Å
685E90.3Very high91.6Very high101 Ų10197.8 Ų97.847%0.47249%0.491SS..Hα-helixtrans-62.4-40.7175.9-72.6167.4-174.700111.4R681 E688 L689R681-E685 VanDerWaalsContact CD-OE1 3.24Å; R681-E685 WeakPolarHBondContact CD-OE1 3.2Å; R681-E685 HydrophobicContact CG-CG 4.27Å; R681-E685 WeakPolarHBondContact CG-OE1 3.28Å; R681-E685 WeakPolarHBondContact O-CG 3.25Å; R681-E685 PolarHBondContact O-N 3.47Å; E685-E688 WeakPolarHBondContact O-CB 3.34Å; E685-E688 PolarHBondContact O-N 3.32Å; E685-L689 WeakPolarHBondContact O-CG 3.48Å; E685-L689 PolarHBondContact O-N 2.77Å
686N89.4Confident91.8Very high51 Ų51101.8 Ų101.827%0.27349%0.494SS..Hα-helixtrans-66.9-37.6173-78.1-15.8000113.1W682 A684 E688 L689 L690W682-N686 WeakPolarHBondContact CH2-ND2 3.2Å; W682-N686 WeakPolarHBondContact CZ2-ND2 3.44Å; W682-N686 VanDerWaalsContact CZ3-ND2 3.3Å; W682-N686 WeakPolarHBondContact CZ3-ND2 3.27Å; W682-N686 WeakPolarHBondContact O-CB 3.47Å; W682-N686 PolarHBondContact O-N 3.4Å; A684-N686 VanDerWaalsContact C-N 3.35Å; A684-N686 PolarHBondContact O-N 2.97Å; N686-E688 VanDerWaalsContact C-N 3.34Å; N686-L689 PolarHBondContact O-N 2.68Å; N686-L690 WeakPolarHBondContact O-CG 3.21Å; N686-L690 PolarHBondContact O-N 3.19Å
687Q89.2Confident91.8Very high98 Ų98102 Ų10246%0.45850%0.495SS..Hα-helixtrans-64.2-42.1173.6-172.560.95200110.7F683 A684 L689 L690 D691F683-Q687 WeakPolarHBondContact O-CB 3.3Å; F683-Q687 PolarHBondContact O-N 3.27Å; A684-Q687 PolarHBondContact O-N 2.91Å; Q687-L689 VanDerWaalsContact C-N 3.26Å; Q687-L689 PolarHBondContact O-N 3.03Å; Q687-L690 PolarHBondContact O-N 3.47Å; Q687-D691 PolarHBondContact NE2-OD1 3.09Å; Q687-D691 WeakPolarHBondContact O-CB 3.22Å; Q687-D691 PolarHBondContact O-N 3.39Å
688E89.3Confident92Very high105 Ų105102.6 Ų102.649%0.49150%0.498SS..Hα-helixtrans-61.8-28.7173.4-98.1-158-122.900113.9A684 E685 N686 R692A684-E688 PolarHBondContact O-N 3.32Å; E685-E688 WeakPolarHBondContact O-CB 3.34Å; E685-E688 PolarHBondContact O-N 3.32Å; N686-E688 VanDerWaalsContact C-N 3.34Å; E688-R692 WeakPolarHBondContact O-CB 3.38Å; E688-R692 VanDerWaalsContact O-CG 3.27Å; E688-R692 WeakPolarHBondContact O-CG 3.4Å; E688-R692 PolarHBondContact O-N 2.9Å; E688-R692 PolarHBondContact O-NH1 2.95Å; E688-R692 IonicContact OE2-CZ 2.66Å; E688-R692 IonicContact OE2-NH1 3.75Å; E688-R692 PolarHBondContact OE2-NH1 2.96Å; E688-R692 IonicContact OE2-NH2 3.15Å; E688-R692 PolarHBondContact OE2-NH2 3.37Å; E688-R692 VanDerWaalsContact OE2-NH2 3.12Å
689L92.2Very high92Very high97 Ų97101 Ų10151%0.50850%0.498SS..Hα-helixtrans-74.6-47.6171-71.8172000111.2E685 N686 Q687 D691 R692 D693E685-L689 WeakPolarHBondContact O-CG 3.48Å; E685-L689 PolarHBondContact O-N 2.77Å; N686-L689 PolarHBondContact O-N 2.68Å; Q687-L689 VanDerWaalsContact C-N 3.26Å; Q687-L689 PolarHBondContact O-N 3.03Å; L689-D691 VanDerWaalsContact C-N 3.28Å; L689-D691 PolarHBondContact O-N 3.25Å; L689-R692 WeakPolarHBondContact O-CB 3.34Å; L689-R692 PolarHBondContact O-N 2.8Å; L689-R692 VanDerWaalsContact O-N 3.17Å; L689-D693 WeakPolarHBondContact O-CB 3.31Å; L689-D693 PolarHBondContact O-N 3.33Å; L689-D693 VanDerWaalsContact O-OD1 3.09Å
690L89.4Confident91.9Very high111 Ų11197 Ų9758%0.58149%0.489SS*.Hα-helixtrans-59.2-38.8175.9-70.2172.1000112.2N686 Q687 D693 A694N686-L690 WeakPolarHBondContact O-CG 3.21Å; N686-L690 PolarHBondContact O-N 3.19Å; Q687-L690 PolarHBondContact O-N 3.47Å; L690-D693 PolarHBondContact O-N 2.84Å; L690-A694 WeakPolarHBondContact O-CB 3.45Å; L690-A694 PolarHBondContact O-N 3.45Å
691D92.6Very high91.8Very high95 Ų9594.6 Ų94.651%0.50848%0.479SS..Hα-helixtrans-69.7-37.4177.1-68-17.1000111.8Q687 L689 G695Q687-D691 PolarHBondContact NE2-OD1 3.09Å; Q687-D691 WeakPolarHBondContact O-CB 3.22Å; Q687-D691 PolarHBondContact O-N 3.39Å; L689-D691 VanDerWaalsContact C-N 3.28Å; L689-D691 PolarHBondContact O-N 3.25Å; D691-G695 PolarHBondContact O-N 3.35Å
692R95Very high92.1Very high133 Ų13389.7 Ų89.750%0.50247%0.47SS..Hα-helixtrans-65.3-38.7170.8-82177.8179.479.5-5.2112.1E688 L689 G695 R696E688-R692 WeakPolarHBondContact O-CB 3.38Å; E688-R692 VanDerWaalsContact O-CG 3.27Å; E688-R692 WeakPolarHBondContact O-CG 3.4Å; E688-R692 PolarHBondContact O-N 2.9Å; E688-R692 PolarHBondContact O-NH1 2.95Å; E688-R692 IonicContact OE2-CZ 2.66Å; E688-R692 IonicContact OE2-NH1 3.75Å; E688-R692 PolarHBondContact OE2-NH1 2.96Å; E688-R692 IonicContact OE2-NH2 3.15Å; E688-R692 PolarHBondContact OE2-NH2 3.37Å; E688-R692 VanDerWaalsContact OE2-NH2 3.12Å; L689-R692 WeakPolarHBondContact O-CB 3.34Å; L689-R692 PolarHBondContact O-N 2.8Å; L689-R692 VanDerWaalsContact O-N 3.17Å; R692-G695 PolarHBondContact O-N 3Å; R692-R696 WeakPolarHBondContact O-CG 3.37Å; R692-R696 PolarHBondContact O-N 3.38Å; R692-R696 PolarHBondContact O-NH1 2.87Å
693D91.3Very high92.2Very high74 Ų7488.5 Ų88.540%0.39647%0.47SS..Hα-helixtrans-71.1-43.2179.2-8244.5000111.3L689 L690 G695 R696 L697L689-D693 WeakPolarHBondContact O-CB 3.31Å; L689-D693 PolarHBondContact O-N 3.33Å; L689-D693 VanDerWaalsContact O-OD1 3.09Å; L690-D693 PolarHBondContact O-N 2.84Å; D693-G695 VanDerWaalsContact C-N 3.25Å; D693-G695 PolarHBondContact O-N 2.84Å; D693-R696 PolarHBondContact O-N 3.26Å; D693-R696 IonicContact OD1-CZ 3.88Å; D693-R696 IonicContact OD1-NH1 2.96Å; D693-R696 PolarHBondContact OD1-NH1 3.46Å; D693-R696 IonicContact OD1-NH2 3.6Å; D693-R696 PolarHBondContact OD1-NH2 3.38Å; D693-R696 IonicContact OD2-CZ 2.67Å; D693-R696 IonicContact OD2-NH2 3.95Å; D693-R696 PolarHBondContact OD2-NH2 3.13Å; D693-L697 WeakPolarHBondContact O-CB 3.37Å; D693-L697 PolarHBondContact O-N 3.4Å
694A92.1Very high92.2Very high39 Ų3987.1 Ų87.132%0.32247%0.468SS..Hα-helixtrans-61-34.3168.600000112.1L690 K698L690-A694 WeakPolarHBondContact O-CB 3.45Å; L690-A694 PolarHBondContact O-N 3.45Å; A694-K698 WeakPolarHBondContact O-CB 3.31Å; A694-K698 WeakPolarHBondContact O-CD 3.19Å; A694-K698 WeakPolarHBondContact O-CG 3.19Å; A694-K698 PolarHBondContact O-N 3.31Å
695G94.3Very high92.5Very high36 Ų3689 Ų8937%0.37147%0.469SS..Hα-helixtrans-63.2-48.1171.500000113D691 R692 D693 K698 A699D691-G695 PolarHBondContact O-N 3.35Å; R692-G695 PolarHBondContact O-N 3Å; D693-G695 VanDerWaalsContact C-N 3.25Å; D693-G695 PolarHBondContact O-N 2.84Å; G695-K698 PolarHBondContact O-N 3.25Å; G695-A699 PolarHBondContact O-N 2.61Å
696R95.1Very high92.7Very high142 Ų14289.7 Ų89.754%0.53647%0.472SS..Hα-helixtrans-64-40.1175.1-67.4-164.1-51-71.17.8111.9R692 D693 A699 A700R692-R696 WeakPolarHBondContact O-CG 3.37Å; R692-R696 PolarHBondContact O-N 3.38Å; R692-R696 PolarHBondContact O-NH1 2.87Å; D693-R696 PolarHBondContact O-N 3.26Å; D693-R696 IonicContact OD1-CZ 3.88Å; D693-R696 IonicContact OD1-NH1 2.96Å; D693-R696 PolarHBondContact OD1-NH1 3.46Å; D693-R696 IonicContact OD1-NH2 3.6Å; D693-R696 PolarHBondContact OD1-NH2 3.38Å; D693-R696 IonicContact OD2-CZ 2.67Å; D693-R696 IonicContact OD2-NH2 3.95Å; D693-R696 PolarHBondContact OD2-NH2 3.13Å; R696-A699 PolarHBondContact O-N 2.88Å; R696-A700 WeakPolarHBondContact O-CB 3.28Å; R696-A700 PolarHBondContact O-N 3.46Å
697L93.9Very high92.9Very high120 Ų12091.3 Ų91.363%0.62848%0.48SS*.Hα-helixtrans-60.8-47175.2-168.177000111.2D693 A699 A700 T701D693-L697 WeakPolarHBondContact O-CB 3.37Å; D693-L697 PolarHBondContact O-N 3.4Å; L697-A699 PolarHBondContact O-N 3.27Å; L697-A700 PolarHBondContact O-N 2.86Å; L697-T701 WeakPolarHBondContact O-CG2 3.44Å; L697-T701 PolarHBondContact O-N 2.84Å; L697-T701 PolarHBondContact O-OG1 3.16Å
698K93.8Very high93.1Very high148 Ų14892.6 Ų92.664%0.64349%0.485SS*.Hα-helixtrans-58.4-46.3175.8-75.8166.1-176.1173.30111.7A694 G695 T701 A702A694-K698 WeakPolarHBondContact O-CB 3.31Å; A694-K698 WeakPolarHBondContact O-CD 3.19Å; A694-K698 WeakPolarHBondContact O-CG 3.19Å; A694-K698 PolarHBondContact O-N 3.31Å; G695-K698 PolarHBondContact O-N 3.25Å; K698-T701 WeakPolarHBondContact CA-OG1 3Å; K698-T701 PolarHBondContact O-N 3.42Å; K698-T701 PolarHBondContact O-OG1 3.18Å; K698-A702 PolarHBondContact O-N 2.99Å
699A93.2Very high93.3Very high64 Ų6493.7 Ų93.753%0.52949%0.49SS..Hα-helixtrans-59.2-48.117600000112.1G695 R696 L697 T701 A702 E703G695-A699 PolarHBondContact O-N 2.61Å; R696-A699 PolarHBondContact O-N 2.88Å; L697-A699 PolarHBondContact O-N 3.27Å; A699-T701 VanDerWaalsContact C-N 3.34Å; A699-T701 PolarHBondContact O-N 3.33Å; A699-A702 WeakPolarHBondContact O-CB 3.33Å; A699-A702 PolarHBondContact O-N 2.95Å; A699-A702 VanDerWaalsContact O-N 3.15Å; A699-E703 PolarHBondContact O-N 3.29Å
700A93Very high93.4Very high41 Ų4194.3 Ų94.334%0.33949%0.49SS..Hα-helixtrans-62.5-37.7176.500000112.5R696 L697 A702 E703 I704R696-A700 WeakPolarHBondContact O-CB 3.28Å; R696-A700 PolarHBondContact O-N 3.46Å; L697-A700 PolarHBondContact O-N 2.86Å; A700-A702 VanDerWaalsContact C-N 3.35Å; A700-E703 PolarHBondContact O-N 3.37Å; A700-I704 WeakPolarHBondContact O-CB 3.09Å; A700-I704 WeakPolarHBondContact O-CD1 3.3Å; A700-I704 VanDerWaalsContact O-CG1 3.23Å; A700-I704 WeakPolarHBondContact O-CG1 3.45Å; A700-I704 PolarHBondContact O-N 2.81Å
701T91.4Very high93.6Very high71 Ų7192.5 Ų92.544%0.43648%0.483SS..Hα-helixtrans-66.8-34.8174.255.60000112.8L697 K698 A699 I704 L705L697-T701 WeakPolarHBondContact O-CG2 3.44Å; L697-T701 PolarHBondContact O-N 2.84Å; L697-T701 PolarHBondContact O-OG1 3.16Å; K698-T701 WeakPolarHBondContact CA-OG1 3Å; K698-T701 PolarHBondContact O-N 3.42Å; K698-T701 PolarHBondContact O-OG1 3.18Å; A699-T701 VanDerWaalsContact C-N 3.34Å; A699-T701 PolarHBondContact O-N 3.33Å; T701-I704 PolarHBondContact O-N 2.92Å; T701-L705 WeakPolarHBondContact O-CG 3.44Å; T701-L705 PolarHBondContact O-N 3.46Å
702A94.1Very high93.6Very high45 Ų4592 Ų9237%0.37248%0.478SS..Hα-helixtrans-68.6-40.7174.200000111.8K698 A699 A700 L705 Q706K698-A702 PolarHBondContact O-N 2.99Å; A699-A702 WeakPolarHBondContact O-CB 3.33Å; A699-A702 PolarHBondContact O-N 2.95Å; A699-A702 VanDerWaalsContact O-N 3.15Å; A700-A702 VanDerWaalsContact C-N 3.35Å; A702-L705 PolarHBondContact O-N 2.95Å; A702-Q706 WeakPolarHBondContact O-CG 3.5Å; A702-Q706 PolarHBondContact O-N 2.93Å
703E96.2Very high93.4Very high117 Ų11790.1 Ų90.155%0.54748%0.475SS..Hα-helixtrans-62-44172.5-175.2175.7-169.100111.6A699 A700 L705 Q706 L707A699-E703 PolarHBondContact O-N 3.29Å; A700-E703 PolarHBondContact O-N 3.37Å; E703-L705 VanDerWaalsContact C-N 3.28Å; E703-L705 PolarHBondContact O-N 3.39Å; E703-Q706 PolarHBondContact O-N 2.82Å; E703-L707 HydrophobicContact CG-CD1 4.07Å; E703-L707 HydrophobicContact CG-CG 4.47Å; E703-L707 WeakPolarHBondContact O-CB 3.39Å; E703-L707 VanDerWaalsContact O-CG 3.31Å; E703-L707 WeakPolarHBondContact O-CG 3.4Å; E703-L707 PolarHBondContact O-N 2.72Å
704I92Very high93.4Very high85 Ų8591.8 Ų91.844%0.43648%0.483SS..Hα-helixtrans-61-35.9174.4-71.9164.7000111.7A700 T701 K708A700-I704 WeakPolarHBondContact O-CB 3.09Å; A700-I704 WeakPolarHBondContact O-CD1 3.3Å; A700-I704 VanDerWaalsContact O-CG1 3.23Å; A700-I704 WeakPolarHBondContact O-CG1 3.45Å; A700-I704 PolarHBondContact O-N 2.81Å; T701-I704 PolarHBondContact O-N 2.92Å; I704-K708 HydrophobicContact CG2-CD 4.16Å; I704-K708 WeakPolarHBondContact O-CB 3.44Å; I704-K708 WeakPolarHBondContact O-CD 3.3Å; I704-K708 WeakPolarHBondContact O-CG 3.49Å; I704-K708 PolarHBondContact O-N 3.41Å
705L94.2Very high93.4Very high97 Ų9795.5 Ų95.551%0.50849%0.492SS..Hα-helixtrans-68.5-46.5174-73.2168.7000111.6T701 A702 E703 L707 K708 E709T701-L705 WeakPolarHBondContact O-CG 3.44Å; T701-L705 PolarHBondContact O-N 3.46Å; A702-L705 PolarHBondContact O-N 2.95Å; E703-L705 VanDerWaalsContact C-N 3.28Å; E703-L705 PolarHBondContact O-N 3.39Å; L705-L707 VanDerWaalsContact C-N 3.32Å; L705-L707 PolarHBondContact O-N 3.46Å; L705-K708 WeakPolarHBondContact O-CB 3.39Å; L705-K708 PolarHBondContact O-N 2.92Å; L705-K708 VanDerWaalsContact O-N 3.13Å; L705-E709 WeakPolarHBondContact O-CG 3.5Å; L705-E709 PolarHBondContact O-N 2.86Å
706Q95.4Very high93.1Very high115 Ų115100.2 Ų100.254%0.53750%0.498SS..Hα-helixtrans-59.8-40.9175-70.9179.23.300112.3A702 E703 E709 Q710A702-Q706 WeakPolarHBondContact O-CG 3.5Å; A702-Q706 PolarHBondContact O-N 2.93Å; E703-Q706 PolarHBondContact O-N 2.82Å; Q706-E709 PolarHBondContact O-N 3.4Å; Q706-Q710 WeakPolarHBondContact O-CB 3.43Å; Q706-Q710 VanDerWaalsContact O-CG 3.27Å; Q706-Q710 WeakPolarHBondContact O-CG 3.23Å; Q706-Q710 PolarHBondContact O-N 3.34Å
707L93.8Very high92.7Very high84 Ų8495.7 Ų95.744%0.4448%0.484SS..Hα-helixtrans-67-37.2175.4-70.6171.7000111.9E703 L705 Q710 V711E703-L707 HydrophobicContact CG-CD1 4.07Å; E703-L707 HydrophobicContact CG-CG 4.47Å; E703-L707 WeakPolarHBondContact O-CB 3.39Å; E703-L707 VanDerWaalsContact O-CG 3.31Å; E703-L707 WeakPolarHBondContact O-CG 3.4Å; E703-L707 PolarHBondContact O-N 2.72Å; L705-L707 VanDerWaalsContact C-N 3.32Å; L705-L707 PolarHBondContact O-N 3.46Å; L707-Q710 PolarHBondContact O-N 3.01Å; L707-V711 WeakPolarHBondContact O-CB 3.32Å; L707-V711 VanDerWaalsContact O-CG2 3.31Å; L707-V711 WeakPolarHBondContact O-CG2 3.41Å; L707-V711 PolarHBondContact O-N 3.44Å
708K92.6Very high92.4Very high126 Ų12694.5 Ų94.555%0.54848%0.481SS..Hα-helixtrans-63.2-44.6171.3-77167.4179.5177.90111.7I704 L705 Q710 V711 E712I704-K708 HydrophobicContact CG2-CD 4.16Å; I704-K708 WeakPolarHBondContact O-CB 3.44Å; I704-K708 WeakPolarHBondContact O-CD 3.3Å; I704-K708 WeakPolarHBondContact O-CG 3.49Å; I704-K708 PolarHBondContact O-N 3.41Å; L705-K708 WeakPolarHBondContact O-CB 3.39Å; L705-K708 PolarHBondContact O-N 2.92Å; L705-K708 VanDerWaalsContact O-N 3.13Å; K708-Q710 VanDerWaalsContact C-N 3.35Å; K708-Q710 PolarHBondContact O-N 3.48Å; K708-V711 PolarHBondContact O-N 3.47Å; K708-E712 PolarHBondContact O-N 2.96Å
709E94.3Very high91.9Very high128 Ų12889.3 Ų89.360%0.59847%0.47SS*.Hα-helixtrans-61.2-42175.9-73.7172.6-160.400112.2L705 Q706 E712 H713L705-E709 WeakPolarHBondContact O-CG 3.5Å; L705-E709 PolarHBondContact O-N 2.86Å; Q706-E709 PolarHBondContact O-N 3.4Å; E709-E712 PolarHBondContact O-N 2.85Å; E709-H713 WeakPolarHBondContact O-CB 3.43Å; E709-H713 PolarHBondContact O-N 3.38Å
710Q93.9Very high91.4Very high109 Ų10991.4 Ų91.451%0.50947%0.467SS..Hα-helixtrans-63.1-42.9173.6-72.317435.300111.8Q706 L707 K708 H713 L714Q706-Q710 WeakPolarHBondContact O-CB 3.43Å; Q706-Q710 VanDerWaalsContact O-CG 3.27Å; Q706-Q710 WeakPolarHBondContact O-CG 3.23Å; Q706-Q710 PolarHBondContact O-N 3.34Å; L707-Q710 PolarHBondContact O-N 3.01Å; K708-Q710 VanDerWaalsContact C-N 3.35Å; K708-Q710 PolarHBondContact O-N 3.48Å; Q710-H713 PolarHBondContact O-N 3.31Å; Q710-L714 WeakPolarHBondContact O-CB 3.49Å; Q710-L714 VanDerWaalsContact O-CG 3.31Å; Q710-L714 WeakPolarHBondContact O-CG 3.42Å; Q710-L714 PolarHBondContact O-N 2.98Å
711V93Very high90.8Very high74 Ų7497.1 Ų97.145%0.44848%0.48SS..Hα-helixtrans-63.1-43.3174.7165.80000111.3L707 K708 H713 L714 K715L707-V711 WeakPolarHBondContact O-CB 3.32Å; L707-V711 VanDerWaalsContact O-CG2 3.31Å; L707-V711 WeakPolarHBondContact O-CG2 3.41Å; L707-V711 PolarHBondContact O-N 3.44Å; K708-V711 PolarHBondContact O-N 3.47Å; V711-H713 VanDerWaalsContact C-N 3.34Å; V711-H713 PolarHBondContact O-N 3.33Å; V711-L714 PolarHBondContact O-N 3.17Å; V711-K715 HydrophobicContact CG1-CD 4.26Å; V711-K715 WeakPolarHBondContact O-CG 3.46Å; V711-K715 PolarHBondContact O-N 3.22Å
712E92.6Very high90.2Very high85 Ų8597.4 Ų97.440%0.39749%0.485SS..Hα-helixtrans-67.7-32.8174.9-71.1-49.6136.800112.6K708 E709 K715 R716K708-E712 PolarHBondContact O-N 2.96Å; E709-E712 PolarHBondContact O-N 2.85Å; E712-K715 WeakPolarHBondContact OE1-CD 3.28Å; E712-K715 WeakPolarHBondContact OE1-CE 3.41Å; E712-K715 IonicContact OE1-NZ 3.24Å; E712-K715 PolarHBondContact OE1-NZ 3.48Å; E712-K715 VanDerWaalsContact OE2-CD 3.29Å; E712-K715 WeakPolarHBondContact OE2-CD 3.37Å; E712-K715 IonicContact OE2-NZ 3.16Å; E712-R716 WeakPolarHBondContact O-CB 3.45Å; E712-R716 VanDerWaalsContact O-CG 3.31Å; E712-R716 WeakPolarHBondContact O-CG 3.48Å; E712-R716 PolarHBondContact O-N 2.94Å; E712-R716 PolarHBondContact O-NE 2.9Å
713H91.6Very high89.3Confident93 Ų9397.5 Ų97.543%0.43148%0.483SS..Hα-helixtrans-65.4-44.7171.9-179.6-93000110.9E709 Q710 V711 R716 E717E709-H713 WeakPolarHBondContact O-CB 3.43Å; E709-H713 PolarHBondContact O-N 3.38Å; Q710-H713 PolarHBondContact O-N 3.31Å; V711-H713 VanDerWaalsContact C-N 3.34Å; V711-H713 PolarHBondContact O-N 3.33Å; H713-R716 PolarHBondContact O-N 3.35Å; H713-E717 PolarHBondContact O-N 3.01Å
714L91.7Very high88.2Confident108 Ų10895.8 Ų95.857%0.56548%0.477SS*.Hα-helixtrans-64.5-40.6175.5-71.5170.3000112.2Q710 V711 E717 V718Q710-L714 WeakPolarHBondContact O-CB 3.49Å; Q710-L714 VanDerWaalsContact O-CG 3.31Å; Q710-L714 WeakPolarHBondContact O-CG 3.42Å; Q710-L714 PolarHBondContact O-N 2.98Å; V711-L714 PolarHBondContact O-N 3.17Å; L714-E717 PolarHBondContact O-N 2.92Å; L714-V718 WeakPolarHBondContact O-CB 3.3Å; L714-V718 WeakPolarHBondContact O-CG2 3.35Å; L714-V718 PolarHBondContact O-N 3.09Å
715K91.1Very high87.3Confident117 Ų11796.4 Ų96.451%0.50948%0.484SS..Hα-helixtrans-59-46.9171.3-76170177.4179.50111.6V711 E712 E717 V718 G719V711-K715 HydrophobicContact CG1-CD 4.26Å; V711-K715 WeakPolarHBondContact O-CG 3.46Å; V711-K715 PolarHBondContact O-N 3.22Å; E712-K715 WeakPolarHBondContact OE1-CD 3.28Å; E712-K715 WeakPolarHBondContact OE1-CE 3.41Å; E712-K715 IonicContact OE1-NZ 3.24Å; E712-K715 PolarHBondContact OE1-NZ 3.48Å; E712-K715 VanDerWaalsContact OE2-CD 3.29Å; E712-K715 WeakPolarHBondContact OE2-CD 3.37Å; E712-K715 IonicContact OE2-NZ 3.16Å; K715-E717 VanDerWaalsContact C-N 3.35Å; K715-E717 PolarHBondContact O-N 2.9Å; K715-V718 PolarHBondContact O-N 2.95Å; K715-G719 PolarHBondContact O-N 3.45Å
716R88.9Confident86Confident135 Ų13597.7 Ų97.751%0.50949%0.491SS..Hα-helixtrans-60.6-41.5175.4-77.2172.4-76.1155.3-7.2111.9E712 H713 G719 K720E712-R716 WeakPolarHBondContact O-CB 3.45Å; E712-R716 VanDerWaalsContact O-CG 3.31Å; E712-R716 WeakPolarHBondContact O-CG 3.48Å; E712-R716 PolarHBondContact O-N 2.94Å; E712-R716 PolarHBondContact O-NE 2.9Å; H713-R716 PolarHBondContact O-N 3.35Å; R716-G719 PolarHBondContact O-N 3.38Å; R716-K720 VanDerWaalsContact O-CG 3.32Å; R716-K720 WeakPolarHBondContact O-CG 3.44Å; R716-K720 PolarHBondContact O-N 3.34Å
717E87.1Confident84.8Confident48 Ų48100.3 Ų100.322%0.22450%0.496CS..Hα-helixtrans-66.4-41174.7-79.3-59.1123.400113.3H713 L714 K715 G719 K720 R721H713-E717 PolarHBondContact O-N 3.01Å; L714-E717 PolarHBondContact O-N 2.92Å; K715-E717 VanDerWaalsContact C-N 3.35Å; K715-E717 PolarHBondContact O-N 2.9Å; E717-G719 VanDerWaalsContact C-N 3.33Å; E717-K720 PolarHBondContact O-N 2.96Å; E717-K720 WeakPolarHBondContact OE1-CD 3.45Å; E717-K720 WeakPolarHBondContact OE1-CE 3.41Å; E717-K720 IonicContact OE1-NZ 3.82Å; E717-K720 PolarHBondContact OE1-NZ 2.66Å; E717-R721 WeakPolarHBondContact O-CB 3.34Å; E717-R721 WeakPolarHBondContact O-CG 3.37Å; E717-R721 PolarHBondContact O-N 3.15Å
718V86.9Confident83.5Confident94 Ų94103.7 Ų103.757%0.5751%0.507SS*.Hα-helixtrans-63.4-40.5172.7170.10000110.7L714 K715 R721 S722L714-V718 WeakPolarHBondContact O-CB 3.3Å; L714-V718 WeakPolarHBondContact O-CG2 3.35Å; L714-V718 PolarHBondContact O-N 3.09Å; K715-V718 PolarHBondContact O-N 2.95Å; V718-R721 PolarHBondContact O-N 2.6Å; V718-S722 WeakPolarHBondContact O-CB 3.37Å; V718-S722 PolarHBondContact O-N 3.32Å
719G83.8Confident82.1Confident40 Ų4099.2 Ų99.241%0.41249%0.494SS..Hα-helixtrans-60.5-45.9172.800000113.2K715 R716 E717 S722 S723K715-G719 PolarHBondContact O-N 3.45Å; R716-G719 PolarHBondContact O-N 3.38Å; E717-G719 VanDerWaalsContact C-N 3.33Å; G719-S722 PolarHBondContact O-N 2.91Å; G719-S723 PolarHBondContact O-N 3.39Å; G719-S723 PolarHBondContact O-OG 2.93Å
720K82.6Confident80.7Confident107 Ų107103.2 Ų103.247%0.46550%0.503SS..Hα-helixtrans-61.8-41.9173.1-70.1169.3-167.1173.10112.3R716 E717 S723 N724R716-K720 VanDerWaalsContact O-CG 3.32Å; R716-K720 WeakPolarHBondContact O-CG 3.44Å; R716-K720 PolarHBondContact O-N 3.34Å; E717-K720 PolarHBondContact O-N 2.96Å; E717-K720 WeakPolarHBondContact OE1-CD 3.45Å; E717-K720 WeakPolarHBondContact OE1-CE 3.41Å; E717-K720 IonicContact OE1-NZ 3.82Å; E717-K720 PolarHBondContact OE1-NZ 2.66Å; K720-S723 PolarHBondContact O-N 3.39Å; K720-S723 PolarHBondContact O-OG 2.82Å; K720-S723 VanDerWaalsContact O-OG 3.04Å; K720-N724 WeakPolarHBondContact O-CB 3.25Å; K720-N724 PolarHBondContact O-N 2.84Å; K720-N724 PolarHBondContact O-ND2 3.48Å
721R80.4Confident79.1Confident162 Ų162102.7 Ų102.761%0.61150%0.504SS*.Hα-helixtrans-63.9-44.9176.6-71.2166.9-168.4-161.92.4110.9E717 V718 N724 V725E717-R721 WeakPolarHBondContact O-CB 3.34Å; E717-R721 WeakPolarHBondContact O-CG 3.37Å; E717-R721 PolarHBondContact O-N 3.15Å; V718-R721 PolarHBondContact O-N 2.6Å; R721-N724 PolarHBondContact O-N 2.77Å; R721-V725 WeakPolarHBondContact O-CG2 3.49Å; R721-V725 PolarHBondContact O-N 2.83Å
722S78.3Confident77.9Confident77 Ų77106.8 Ų106.854%0.53851%0.512SS..Hα-helixtrans-59.6-47.6174.3-175.10000111.8V718 G719 N724 V725 L726V718-S722 WeakPolarHBondContact O-CB 3.37Å; V718-S722 PolarHBondContact O-N 3.32Å; G719-S722 PolarHBondContact O-N 2.91Å; S722-N724 VanDerWaalsContact C-N 3.33Å; S722-N724 PolarHBondContact O-N 3.27Å; S722-V725 CarbonylContact O-C 3.53Å; S722-V725 PolarHBondContact O-N 2.85Å; S722-V725 VanDerWaalsContact O-N 3.14Å; S722-L726 WeakPolarHBondContact O-CB 3.4Å; S722-L726 PolarHBondContact O-N 2.9Å
723S75.4Confident76.8Confident47 Ų47106.1 Ų106.133%0.32952%0.515SS..Hα-helixtrans-66.1-32.4178.374.90000113.1G719 K720 L726 R727G719-S723 PolarHBondContact O-N 3.39Å; G719-S723 PolarHBondContact O-OG 2.93Å; K720-S723 PolarHBondContact O-N 3.39Å; K720-S723 PolarHBondContact O-OG 2.82Å; K720-S723 VanDerWaalsContact O-OG 3.04Å; S723-L726 PolarHBondContact O-N 3.26Å; S723-R727 VanDerWaalsContact O-CG 3.32Å; S723-R727 WeakPolarHBondContact O-CG 3.28Å; S723-R727 PolarHBondContact O-N 2.82Å
724N73.4Confident75.8Confident81 Ų81104.9 Ų104.943%0.43352%0.521SS..Hα-helixtrans-71-34.4171.6-80.8-36.1000113.1K720 R721 S722 K728K720-N724 WeakPolarHBondContact O-CB 3.25Å; K720-N724 PolarHBondContact O-N 2.84Å; K720-N724 PolarHBondContact O-ND2 3.48Å; R721-N724 PolarHBondContact O-N 2.77Å; S722-N724 VanDerWaalsContact C-N 3.33Å; S722-N724 PolarHBondContact O-N 3.27Å; N724-K728 WeakPolarHBondContact O-CG 3.45Å; N724-K728 PolarHBondContact O-N 3.22Å; N724-K728 VanDerWaalsContact O-N 3.08Å
725V71.6Confident74.6Confident97 Ų97104.1 Ų104.159%0.58852%0.517SS*.Hα-helixtrans-66.2-39.6169.2170.40000110.6R721 S722 K728 A729R721-V725 WeakPolarHBondContact O-CG2 3.49Å; R721-V725 PolarHBondContact O-N 2.83Å; S722-V725 CarbonylContact O-C 3.53Å; S722-V725 PolarHBondContact O-N 2.85Å; S722-V725 VanDerWaalsContact O-N 3.14Å; V725-K728 PolarHBondContact O-N 3.31Å; V725-A729 WeakPolarHBondContact O-CB 3.3Å; V725-A729 PolarHBondContact O-N 3.24Å
726L68.1Low73.8Confident124 Ų124101.4 Ų101.465%0.64951%0.51SS*.Hα-helixtrans-67.2-38.2176.8-17066.6000112.5S722 S723 A729 R730S722-L726 WeakPolarHBondContact O-CB 3.4Å; S722-L726 PolarHBondContact O-N 2.9Å; S723-L726 PolarHBondContact O-N 3.26Å; L726-A729 WeakPolarHBondContact O-CB 3.16Å; L726-A729 PolarHBondContact O-N 2.82Å; L726-R730 PolarHBondContact O-N 3.41Å
727R69.1Low73.4Confident170 Ų170101.6 Ų101.664%0.64252%0.515SS*.Hα-helixtrans-60.4-51.4171-75172.1-177.6-172.2-0.6110.9S723 A729 R730 D731S723-R727 VanDerWaalsContact O-CG 3.32Å; S723-R727 WeakPolarHBondContact O-CG 3.28Å; S723-R727 PolarHBondContact O-N 2.82Å; R727-A729 PolarHBondContact O-N 3.46Å; R727-R730 WeakPolarHBondContact O-CA 3.41Å; R727-R730 WeakPolarHBondContact O-CB 3.33Å; R727-R730 PolarHBondContact O-N 3.12Å; R727-D731 PolarHBondContact O-N 3.43Å
728K67.1Low73.1Confident155 Ų155107.6 Ų107.667%0.67454%0.535SS*.Hα-helixtrans-60.5-29.6174.2-70.1176.5178.8-174.90113.1N724 V725 R730 D731N724-K728 WeakPolarHBondContact O-CG 3.45Å; N724-K728 PolarHBondContact O-N 3.22Å; N724-K728 VanDerWaalsContact O-N 3.08Å; V725-K728 PolarHBondContact O-N 3.31Å; K728-R730 VanDerWaalsContact C-N 3.29Å; K728-D731 PolarHBondContact O-N 3.45Å
729A63.8Low72.5Confident32 Ų32108 Ų10826%0.26453%0.532SS..Hα-helixtrans-72.1-22.3172.100000113V725 L726 R727 R732V725-A729 WeakPolarHBondContact O-CB 3.3Å; V725-A729 PolarHBondContact O-N 3.24Å; L726-A729 WeakPolarHBondContact O-CB 3.16Å; L726-A729 PolarHBondContact O-N 2.82Å; R727-A729 PolarHBondContact O-N 3.46Å; A729-R732 WeakPolarHBondContact O-CB 3.2Å
730R64.4Low72.3Confident212 Ų212111.7 Ų111.780%0.854%0.539SS*.Hα-helixtrans-80.9-18.2174.9-142.4179.5-165.8-168.94.7113.3L726 R727 K728 P733L726-R730 PolarHBondContact O-N 3.41Å; R727-R730 WeakPolarHBondContact O-CA 3.41Å; R727-R730 WeakPolarHBondContact O-CB 3.33Å; R727-R730 PolarHBondContact O-N 3.12Å; K728-R730 VanDerWaalsContact C-N 3.29Å; R730-P733 VanDerWaalsContact O-CD 3.22Å; R730-P733 WeakPolarHBondContact O-CD 3.23Å; R730-P733 VanDerWaalsContact O-CG 3.25Å; R730-P733 WeakPolarHBondContact O-CG 3.15Å
731D60.4Low72.2Confident99 Ų99110 Ų11053%0.52954%0.535SS..Hα-helixtrans-83.1-24171.9-56.8-45.5000112.5R727 K728 P733 A734R727-D731 PolarHBondContact O-N 3.43Å; K728-D731 PolarHBondContact O-N 3.45Å; D731-P733 VanDerWaalsContact C-N 3.34Å; D731-P733 VanDerWaalsContact O-N 3.13Å; D731-A734 WeakPolarHBondContact O-CB 3.42Å; D731-A734 PolarHBondContact O-N 3.32Å
732R68.1Low72.3Confident160 Ų160106.8 Ų106.860%0.60453%0.529SS*.Hα-helixtrans-45.1-39.1175.3-71.7178.3173.3171.1-4.4116.1A729 A734 D735 T736A729-R732 WeakPolarHBondContact O-CB 3.2Å; R732-A734 PolarHBondContact O-N 3.43Å; R732-A734 VanDerWaalsContact O-N 3.15Å; R732-D735 CarbonylContact O-C 3.59Å; R732-D735 PolarHBondContact O-N 3.04Å; R732-D735 VanDerWaalsContact O-N 3.11Å; R732-T736 WeakPolarHBondContact O-CG2 3.37Å; R732-T736 PolarHBondContact O-N 3.23Å; R732-T736 PolarHBondContact O-OG1 3.27Å; R732-T736 VanDerWaalsContact O-OG1 3.1Å
733P68.6Low72.2Confident71 Ų71107.9 Ų107.946%0.46153%0.526SS..Hα-helixtrans-59.4-18.9175.820.9-35.3000115.5R730 D731 T736 K737R730-P733 VanDerWaalsContact O-CD 3.22Å; R730-P733 WeakPolarHBondContact O-CD 3.23Å; R730-P733 VanDerWaalsContact O-CG 3.25Å; R730-P733 WeakPolarHBondContact O-CG 3.15Å; D731-P733 VanDerWaalsContact C-N 3.34Å; D731-P733 VanDerWaalsContact O-N 3.13Å; P733-T736 WeakPolarHBondContact CA-OG1 3.45Å; P733-K737 WeakPolarHBondContact O-CD 3.29Å; P733-K737 VanDerWaalsContact O-CG 3.31Å; P733-K737 WeakPolarHBondContact O-CG 3.39Å
734A70.9Confident72.6Confident67 Ų67113 Ų11355%0.55454%0.538SS*.Hα-helixtrans-80.4-47.9169.400000111D731 R732 T736 K737 R738D731-A734 WeakPolarHBondContact O-CB 3.42Å; D731-A734 PolarHBondContact O-N 3.32Å; R732-A734 PolarHBondContact O-N 3.43Å; R732-A734 VanDerWaalsContact O-N 3.15Å; A734-T736 PolarHBondContact O-N 2.75Å; A734-K737 PolarHBondContact O-N 2.81Å; A734-R738 PolarHBondContact O-N 3.11Å
735D66.6Low72.9Confident91 Ų91114.3 Ų114.349%0.48754%0.542SS..Hα-helixtrans-65.6-36178.7-75.3-32000113R732 R738 M739R732-D735 CarbonylContact O-C 3.59Å; R732-D735 PolarHBondContact O-N 3.04Å; R732-D735 VanDerWaalsContact O-N 3.11Å; D735-R738 PolarHBondContact O-N 3.06Å; D735-M739 WeakPolarHBondContact O-CB 3.36Å; D735-M739 PolarHBondContact O-N 3.37Å
736T74.6Confident73Confident60 Ų60113.1 Ų113.137%0.36853%0.534SS..Hα-helixtrans-69.8-32.3176.355.80000112.1R732 P733 A734 M739 Q740R732-T736 WeakPolarHBondContact O-CG2 3.37Å; R732-T736 PolarHBondContact O-N 3.23Å; R732-T736 PolarHBondContact O-OG1 3.27Å; R732-T736 VanDerWaalsContact O-OG1 3.1Å; P733-T736 WeakPolarHBondContact CA-OG1 3.45Å; A734-T736 PolarHBondContact O-N 2.75Å; T736-M739 PolarHBondContact O-N 3.38Å; T736-Q740 WeakPolarHBondContact O-CB 3.18Å; T736-Q740 WeakPolarHBondContact O-CG 3.43Å; T736-Q740 PolarHBondContact O-N 2.88Å
737K80.3Confident73.4Confident139 Ų139113.5 Ų113.560%0.60453%0.53SS*.Hα-helixtrans-67.3-47.9170.8-74.1175.3-178-179.80111.1P733 A734 M739 Q740 D741P733-K737 WeakPolarHBondContact O-CD 3.29Å; P733-K737 VanDerWaalsContact O-CG 3.31Å; P733-K737 WeakPolarHBondContact O-CG 3.39Å; A734-K737 PolarHBondContact O-N 2.81Å; K737-M739 VanDerWaalsContact C-N 3.25Å; K737-M739 PolarHBondContact O-N 3.46Å; K737-Q740 PolarHBondContact O-N 3.22Å; K737-D741 PolarHBondContact O-N 2.95Å
738R80.6Confident73.8Confident175 Ų175110.9 Ų110.966%0.6653%0.526SS*.Hα-helixtrans-57.5-39.1173176.4176.4-82.2-167.9-5.6111.8A734 D735 L742A734-R738 PolarHBondContact O-N 3.11Å; D735-R738 PolarHBondContact O-N 3.06Å; R738-L742 HydrophobicContact CG-CD1 4.13Å; R738-L742 WeakPolarHBondContact O-CB 3.46Å; R738-L742 VanDerWaalsContact O-CG 3.27Å; R738-L742 WeakPolarHBondContact O-CG 3.32Å; R738-L742 PolarHBondContact O-N 2.88Å
739M73.9Confident73.9Confident101 Ų101108.6 Ų108.650%0.49852%0.52SS..Hα-helixtrans-70.8-37.9177.2-169.1-171.8-54.300112.3D735 T736 K737 L742 Q743D735-M739 WeakPolarHBondContact O-CB 3.36Å; D735-M739 PolarHBondContact O-N 3.37Å; T736-M739 PolarHBondContact O-N 3.38Å; K737-M739 VanDerWaalsContact C-N 3.25Å; K737-M739 PolarHBondContact O-N 3.46Å; M739-L742 PolarHBondContact O-N 3.26Å; M739-Q743 VanDerWaalsContact O-CB 3.28Å; M739-Q743 WeakPolarHBondContact O-CB 3.38Å; M739-Q743 WeakPolarHBondContact O-CG 3.44Å; M739-Q743 PolarHBondContact O-N 2.94Å
740Q80Confident74.1Confident119 Ų119110.4 Ų110.456%0.55652%0.523SS*.Hα-helixtrans-66.9-37.8173.6-77.4168.7-1.500111.7T736 K737 Q743 R744T736-Q740 WeakPolarHBondContact O-CB 3.18Å; T736-Q740 WeakPolarHBondContact O-CG 3.43Å; T736-Q740 PolarHBondContact O-N 2.88Å; K737-Q740 PolarHBondContact O-N 3.22Å; Q740-Q743 PolarHBondContact O-N 2.7Å; Q740-R744 VanDerWaalsContact O-CB 3.28Å; Q740-R744 WeakPolarHBondContact O-CB 3.33Å; Q740-R744 PolarHBondContact O-N 3.08Å
741D80.5Confident74.4Confident72 Ų72106.8 Ų106.839%0.38552%0.515SS..Hα-helixtrans-66.5-44.5173.4-76.3-14.1000111.9K737 R744 Q745K737-D741 PolarHBondContact O-N 2.95Å; D741-R744 WeakPolarHBondContact O-CB 3.44Å; D741-R744 PolarHBondContact O-N 3.49Å; D741-R744 IonicContact OD1-CZ 3.96Å; D741-R744 IonicContact OD1-NE 2.61Å; D741-R744 IonicContact OD1-NH2 3.03Å; D741-R744 PolarHBondContact OD1-NH2 3.2Å; D741-Q745 WeakPolarHBondContact O-CG 3.48Å; D741-Q745 PolarHBondContact O-N 3.42Å
742L81.9Confident74.8Confident94 Ų94105.9 Ų105.949%0.49251%0.51SS..Hα-helixtrans-63.4-40.6173-72.3168.2000111.9R738 M739 R744 Q745 V746R738-L742 HydrophobicContact CG-CD1 4.13Å; R738-L742 WeakPolarHBondContact O-CB 3.46Å; R738-L742 VanDerWaalsContact O-CG 3.27Å; R738-L742 WeakPolarHBondContact O-CG 3.32Å; R738-L742 PolarHBondContact O-N 2.88Å; M739-L742 PolarHBondContact O-N 3.26Å; L742-R744 VanDerWaalsContact C-N 3.32Å; L742-R744 PolarHBondContact O-N 3.45Å; L742-Q745 PolarHBondContact O-N 3.46Å; L742-V746 VanDerWaalsContact O-CB 3.31Å; L742-V746 WeakPolarHBondContact O-CB 3.4Å; L742-V746 VanDerWaalsContact O-CG2 3.23Å; L742-V746 WeakPolarHBondContact O-CG2 3.42Å; L742-V746 PolarHBondContact O-N 3.31Å
743Q77.9Confident74.5Confident100 Ų100104.2 Ų104.247%0.46751%0.512SS..Hα-helixtrans-66.1-32.4174.5-77.3173.41.400112.6M739 Q740 K747M739-Q743 VanDerWaalsContact O-CB 3.28Å; M739-Q743 WeakPolarHBondContact O-CB 3.38Å; M739-Q743 WeakPolarHBondContact O-CG 3.44Å; M739-Q743 PolarHBondContact O-N 2.94Å; Q740-Q743 PolarHBondContact O-N 2.7Å; Q743-K747 VanDerWaalsContact O-CB 3.31Å; Q743-K747 WeakPolarHBondContact O-CB 3.47Å; Q743-K747 VanDerWaalsContact O-CG 3.23Å; Q743-K747 WeakPolarHBondContact O-CG 3.34Å; Q743-K747 PolarHBondContact O-N 3.24Å
744R82.7Confident74.3Confident154 Ų154107.8 Ų107.858%0.58152%0.516SS*.Hα-helixtrans-68.5-49.6173.4170.5161.153.3154-5.2110.9Q740 D741 L742 V746 K747 E748Q740-R744 VanDerWaalsContact O-CB 3.28Å; Q740-R744 WeakPolarHBondContact O-CB 3.33Å; Q740-R744 PolarHBondContact O-N 3.08Å; D741-R744 WeakPolarHBondContact O-CB 3.44Å; D741-R744 PolarHBondContact O-N 3.49Å; D741-R744 IonicContact OD1-CZ 3.96Å; D741-R744 IonicContact OD1-NE 2.61Å; D741-R744 IonicContact OD1-NH2 3.03Å; D741-R744 PolarHBondContact OD1-NH2 3.2Å; L742-R744 VanDerWaalsContact C-N 3.32Å; L742-R744 PolarHBondContact O-N 3.45Å; R744-V746 PolarHBondContact O-N 2.97Å; R744-K747 PolarHBondContact O-N 2.89Å; R744-E748 PolarHBondContact O-N 3.48Å
745Q80.2Confident73.9Confident109 Ų109108.9 Ų108.951%0.50952%0.52SS..Hα-helixtrans-60-43.3174.8-71.3175-6.600112D741 L742 E748 L749D741-Q745 WeakPolarHBondContact O-CG 3.48Å; D741-Q745 PolarHBondContact O-N 3.42Å; L742-Q745 PolarHBondContact O-N 3.46Å; Q745-E748 PolarHBondContact O-N 2.89Å; Q745-L749 WeakPolarHBondContact O-CB 3.49Å; Q745-L749 VanDerWaalsContact O-CG 3.27Å; Q745-L749 WeakPolarHBondContact O-CG 3.44Å; Q745-L749 PolarHBondContact O-N 3.44Å
746V72.6Confident74Confident71 Ų71113.4 Ų113.443%0.4353%0.53SS..Hα-helixtrans-63.8-41.8175168.60000111L742 R744 E748 L749 E750L742-V746 VanDerWaalsContact O-CB 3.31Å; L742-V746 WeakPolarHBondContact O-CB 3.4Å; L742-V746 VanDerWaalsContact O-CG2 3.23Å; L742-V746 WeakPolarHBondContact O-CG2 3.42Å; L742-V746 PolarHBondContact O-N 3.31Å; R744-V746 PolarHBondContact O-N 2.97Å; V746-E748 PolarHBondContact O-N 3.5Å; V746-L749 PolarHBondContact O-N 2.88Å; V746-E750 HydrophobicContact CG1-CG 4.12Å; V746-E750 WeakPolarHBondContact O-CB 3.12Å; V746-E750 VanDerWaalsContact O-CG 3.26Å; V746-E750 WeakPolarHBondContact O-CG 3.32Å; V746-E750 PolarHBondContact O-N 2.89Å
747K77.6Confident73.2Confident132 Ų132115.6 Ų115.657%0.57454%0.54SS*.Hα-helixtrans-63.8-39.7175.5-80173.5178.6179.90112.9Q743 R744 Q751Q743-K747 VanDerWaalsContact O-CB 3.31Å; Q743-K747 WeakPolarHBondContact O-CB 3.47Å; Q743-K747 VanDerWaalsContact O-CG 3.23Å; Q743-K747 WeakPolarHBondContact O-CG 3.34Å; Q743-K747 PolarHBondContact O-N 3.24Å; R744-K747 PolarHBondContact O-N 2.89Å; K747-Q751 VanDerWaalsContact O-CB 3.23Å; K747-Q751 WeakPolarHBondContact O-CB 3.29Å; K747-Q751 PolarHBondContact O-N 3.24Å
748E77.9Confident72.4Confident116 Ų116114.1 Ų114.154%0.54254%0.544SS..Hα-helixtrans-64.3-45.9173.5-71.9178.613500111.3R744 Q745 V746 Q751 I752R744-E748 PolarHBondContact O-N 3.48Å; Q745-E748 PolarHBondContact O-N 2.89Å; V746-E748 PolarHBondContact O-N 3.5Å; E748-Q751 PolarHBondContact O-N 2.87Å; E748-I752 WeakPolarHBondContact O-CB 3.44Å; E748-I752 WeakPolarHBondContact O-CD1 3.5Å; E748-I752 VanDerWaalsContact O-CG1 3.24Å; E748-I752 WeakPolarHBondContact O-CG1 3.5Å; E748-I752 PolarHBondContact O-N 3.42Å
749L67.4Low71.6Confident106 Ų106113.3 Ų113.356%0.55555%0.553SS**Hα-helixtrans-62-44.1175.6-72.2167.8000112.3Q745 V746 Q751 I752 L753Q745-L749 WeakPolarHBondContact O-CB 3.49Å; Q745-L749 VanDerWaalsContact O-CG 3.27Å; Q745-L749 WeakPolarHBondContact O-CG 3.44Å; Q745-L749 PolarHBondContact O-N 3.44Å; V746-L749 PolarHBondContact O-N 2.88Å; L749-Q751 VanDerWaalsContact C-N 3.34Å; L749-Q751 PolarHBondContact O-N 2.74Å; L749-I752 PolarHBondContact O-N 2.97Å; L749-L753 WeakPolarHBondContact O-CB 3.19Å; L749-L753 VanDerWaalsContact O-CG 3.31Å; L749-L753 WeakPolarHBondContact O-CG 3.34Å; L749-L753 PolarHBondContact O-N 3.34Å
750E69.8Low71.2Confident71 Ų71110.9 Ų110.933%0.33255%0.546SS..Hα-helixtrans-63.1-38173.8-73.7178.7-173.600112.1V746 L753 R754V746-E750 HydrophobicContact CG1-CG 4.12Å; V746-E750 WeakPolarHBondContact O-CB 3.12Å; V746-E750 VanDerWaalsContact O-CG 3.26Å; V746-E750 WeakPolarHBondContact O-CG 3.32Å; V746-E750 PolarHBondContact O-N 2.89Å; E750-L753 PolarHBondContact O-N 3.41Å; E750-R754 VanDerWaalsContact CB-NH1 3.26Å; E750-R754 WeakPolarHBondContact O-CB 3.48Å; E750-R754 WeakPolarHBondContact O-CG 3.42Å; E750-R754 PolarHBondContact O-N 2.88Å; E750-R754 IonicContact OE2-CZ 2.67Å; E750-R754 IonicContact OE2-NH1 3.42Å; E750-R754 PolarHBondContact OE2-NH1 2.91Å; E750-R754 IonicContact OE2-NH2 3.74Å; E750-R754 PolarHBondContact OE2-NH2 3.15Å
751Q70.6Confident70Confident136 Ų136111.1 Ų111.164%0.63655%0.551SS**Hα-helixtrans-70.6-35.3177.8-173.5165.9-12.600111.3K747 E748 L749 S755K747-Q751 VanDerWaalsContact O-CB 3.23Å; K747-Q751 WeakPolarHBondContact O-CB 3.29Å; K747-Q751 PolarHBondContact O-N 3.24Å; E748-Q751 PolarHBondContact O-N 2.87Å; L749-Q751 VanDerWaalsContact C-N 3.34Å; L749-Q751 PolarHBondContact O-N 2.74Å; Q751-S755 WeakPolarHBondContact O-CB 3.36Å; Q751-S755 PolarHBondContact O-N 2.88Å; Q751-S755 PolarHBondContact O-OG 3.43Å
752I68.4Low69Low79 Ų79111.9 Ų111.941%0.40556%0.56SS.*Hα-helixtrans-66.6-37.1170.6-68.5162.8000111.2E748 L749 S755 R756E748-I752 WeakPolarHBondContact O-CB 3.44Å; E748-I752 WeakPolarHBondContact O-CD1 3.5Å; E748-I752 VanDerWaalsContact O-CG1 3.24Å; E748-I752 WeakPolarHBondContact O-CG1 3.5Å; E748-I752 PolarHBondContact O-N 3.42Å; L749-I752 PolarHBondContact O-N 2.97Å; I752-S755 PolarHBondContact O-OG 2.92Å; I752-R756 WeakPolarHBondContact O-CB 3.32Å; I752-R756 WeakPolarHBondContact O-CG 3.47Å; I752-R756 PolarHBondContact O-N 3.01Å
753L62.3Low68Low125 Ų125109.9 Ų109.965%0.65456%0.556SS**Hα-helixtrans-67.9-48.1173.9-76.2162.9000112L749 E750 S755 R756L749-L753 WeakPolarHBondContact O-CB 3.19Å; L749-L753 VanDerWaalsContact O-CG 3.31Å; L749-L753 WeakPolarHBondContact O-CG 3.34Å; L749-L753 PolarHBondContact O-N 3.34Å; E750-L753 PolarHBondContact O-N 3.41Å; L753-S755 VanDerWaalsContact C-N 3.3Å; L753-S755 PolarHBondContact O-N 2.83Å; L753-R756 PolarHBondContact O-N 2.82Å
754R63.2Low67.2Low146 Ų146111.1 Ų111.155%0.55157%0.566SS**Hα-helixtrans-59.3-36.8177.6-74.6170.1-176119.810.4112.7E750E750-R754 VanDerWaalsContact CB-NH1 3.26Å; E750-R754 WeakPolarHBondContact O-CB 3.48Å; E750-R754 WeakPolarHBondContact O-CG 3.42Å; E750-R754 PolarHBondContact O-N 2.88Å; E750-R754 IonicContact OE2-CZ 2.67Å; E750-R754 IonicContact OE2-NH1 3.42Å; E750-R754 PolarHBondContact OE2-NH1 2.91Å; E750-R754 IonicContact OE2-NH2 3.74Å; E750-R754 PolarHBondContact OE2-NH2 3.15Å
755S63.8Low66Low91 Ų91108.9 Ų108.964%0.63656%0.564SS**Hα-helixtrans-86-13.1-177.157.70000115.2Q751 I752 L753Q751-S755 WeakPolarHBondContact O-CB 3.36Å; Q751-S755 PolarHBondContact O-N 2.88Å; Q751-S755 PolarHBondContact O-OG 3.43Å; I752-S755 PolarHBondContact O-OG 2.92Å; L753-S755 VanDerWaalsContact C-N 3.3Å; L753-S755 PolarHBondContact O-N 2.83Å
756R66.9Low65.2Low185 Ų185111.1 Ų111.170%0.69857%0.569SS**Hα-helixtrans-105.6-18-175.5-77.2-175.4155.8136.8-2.2116.2I752 L753I752-R756 WeakPolarHBondContact O-CB 3.32Å; I752-R756 WeakPolarHBondContact O-CG 3.47Å; I752-R756 PolarHBondContact O-N 3.01Å; L753-R756 PolarHBondContact O-N 2.82Å
757N59Low64.5Low106 Ų106110.9 Ų110.957%0.56757%0.574SS**  trans-145.993.7175-82-60.8000111N759 S760N757-N759 PolarHBondContact O-N 3.49Å; N757-S760 WeakPolarHBondContact O-CB 3.25Å; N757-S760 PolarHBondContact O-N 3.42Å
758P62.4Low63.4Low108 Ų108107.8 Ų107.870%0.70157%0.574SS**THydrogen-bonded Turntrans-63.6-24.5-175.824.8-34000113.7
759N65.2Low62.3Low158 Ų158105.9 Ų105.985%0.84558%0.578SS**THydrogen-bonded Turntrans-103.923.1-179.7-62.91000112.9N757N757-N759 PolarHBondContact O-N 3.49Å
760S64.4Low61.8Low51 Ų51106.5 Ų106.536%0.35758%0.58SS.*  trans-74.8141.7176-161.10000111.7N757 P762 A763N757-S760 WeakPolarHBondContact O-CB 3.25Å; N757-S760 PolarHBondContact O-N 3.42Å; S760-P762 VanDerWaalsContact C-N 3.31Å; S760-P762 VanDerWaalsContact O-N 3.1Å; S760-P762 WeakPolarHBondContact OG-CD 3.48Å; S760-A763 WeakPolarHBondContact O-CB 3.31Å; S760-A763 PolarHBondContact O-N 3.18Å
761L55.6Low61Low123 Ų123107.3 Ų107.364%0.64460%0.599SS**Hα-helixtrans-43.9-43-178.7-103.1159.9000115.1A763 L764 I765L761-A763 VanDerWaalsContact C-N 3.29Å; L761-A763 PolarHBondContact O-N 2.85Å; L761-L764 WeakPolarHBondContact O-CB 3.25Å; L761-L764 PolarHBondContact O-N 2.84Å; L761-L764 VanDerWaalsContact O-N 3.15Å; L761-I765 HydrophobicContact CD2-CD1 4.27Å; L761-I765 VanDerWaalsContact O-CG1 3.31Å; L761-I765 WeakPolarHBondContact O-CG1 3.4Å; L761-I765 PolarHBondContact O-N 3.45Å
762P59.4Low59.9Low89 Ų89104.1 Ų104.158%0.57860%0.603SS**Hα-helixtrans-60.6-31.5177.9-26.536.9000114.8S760 Y766S760-P762 VanDerWaalsContact C-N 3.31Å; S760-P762 VanDerWaalsContact O-N 3.1Å; S760-P762 WeakPolarHBondContact OG-CD 3.48Å; P762-Y766 WeakPolarHBondContact O-CB 3.11Å; P762-Y766 PolarHBondContact O-N 3.33Å
763A60.5Low59.1Low51 Ų51104.1 Ų104.142%0.42162%0.622SS.*Hα-helixtrans-71.3-39.3175.700000111.3S760 L761 Y766 A767S760-A763 WeakPolarHBondContact O-CB 3.31Å; S760-A763 PolarHBondContact O-N 3.18Å; L761-A763 VanDerWaalsContact C-N 3.29Å; L761-A763 PolarHBondContact O-N 2.85Å; A763-Y766 PolarHBondContact O-N 2.97Å; A763-A767 PolarHBondContact O-N 3.02Å; A763-A767 VanDerWaalsContact O-N 3.1Å
764L61.6Low58.2Low126 Ų126101.2 Ų101.266%0.6662%0.623SS**Hα-helixtrans-65.2-41.7175.8-147.480.9000111.6L761 A767 A768L761-L764 WeakPolarHBondContact O-CB 3.25Å; L761-L764 PolarHBondContact O-N 2.84Å; L761-L764 VanDerWaalsContact O-N 3.15Å; L764-A767 PolarHBondContact O-N 3.03Å; L764-A768 WeakPolarHBondContact O-CB 3.43Å; L764-A768 PolarHBondContact O-N 3.49Å
765I57.4Low57.2Low107 Ų107102.6 Ų102.655%0.54964%0.635SS.*Hα-helixtrans-64.4-40.6176.4-68.4163.9000111L761 A768 A769L761-I765 HydrophobicContact CD2-CD1 4.27Å; L761-I765 VanDerWaalsContact O-CG1 3.31Å; L761-I765 WeakPolarHBondContact O-CG1 3.4Å; L761-I765 PolarHBondContact O-N 3.45Å; I765-A768 PolarHBondContact O-N 3.27Å; I765-A769 WeakPolarHBondContact O-CB 3.16Å; I765-A769 PolarHBondContact O-N 2.78Å
766Y63.6Low56Low157 Ų157107.1 Ų107.162%0.61664%0.643SS**Hα-helixtrans-66.6-37.2177.8-160.2-99.7000112.4P762 A763 I770P762-Y766 WeakPolarHBondContact O-CB 3.11Å; P762-Y766 PolarHBondContact O-N 3.33Å; A763-Y766 PolarHBondContact O-N 2.97Å; Y766-I770 HydrophobicContact CD1-CD1 4.13Å; Y766-I770 HydrophobicContact CE1-CD1 3.86Å
767A57.4Low54.9Low65 Ų65102.7 Ų102.754%0.53765%0.647SS.*Hα-helixtrans-65.9-43.2172.400000112.2A763 L764 A769 I770 A771A763-A767 PolarHBondContact O-N 3.02Å; A763-A767 VanDerWaalsContact O-N 3.1Å; L764-A767 PolarHBondContact O-N 3.03Å; A767-A769 VanDerWaalsContact C-N 3.35Å; A767-A769 PolarHBondContact O-N 3.27Å; A767-I770 PolarHBondContact O-N 2.81Å; A767-A771 PolarHBondContact O-N 2.8Å
768A54.3Low53.9Low68 Ų68104.3 Ų104.356%0.56266%0.66SS**Hα-helixtrans-63.8-37.4177.400000112.8L764 I765 I770 A771L764-A768 WeakPolarHBondContact O-CB 3.43Å; L764-A768 PolarHBondContact O-N 3.49Å; I765-A768 PolarHBondContact O-N 3.27Å; A768-I770 VanDerWaalsContact C-N 3.28Å; A768-I770 PolarHBondContact O-N 3.46Å; A768-A771 PolarHBondContact O-N 2.79Å
769A55.4Low52.7Low76 Ų76104.2 Ų104.263%0.62866%0.662SS**Hα-helixtrans-65.1-28.3179.700000113.7I765 A767I765-A769 WeakPolarHBondContact O-CB 3.16Å; I765-A769 PolarHBondContact O-N 2.78Å; A767-A769 VanDerWaalsContact C-N 3.35Å; A767-A769 PolarHBondContact O-N 3.27Å
770I56.3Low51.5Low119 Ų119102.6 Ų102.661%0.6166%0.663SS**Hα-helixtrans-83.4-25.1179.1-64.7172.8000111.5Y766 A767 A768 G772Y766-I770 HydrophobicContact CD1-CD1 4.13Å; Y766-I770 HydrophobicContact CE1-CD1 3.86Å; A767-I770 PolarHBondContact O-N 2.81Å; A768-I770 VanDerWaalsContact C-N 3.28Å; A768-I770 PolarHBondContact O-N 3.46Å; I770-G772 PolarHBondContact O-N 3.35Å
771A54.2Low50.1Low88 Ų88103.7 Ų103.773%0.72768%0.682SS**THydrogen-bonded Turntrans-70.7-14178.800000114.5A767 A768 G773A767-A771 PolarHBondContact O-N 2.8Å; A768-A771 PolarHBondContact O-N 2.79Å; A771-G773 VanDerWaalsContact C-N 3.29Å; A771-G773 PolarHBondContact O-N 3.38Å
772G47.3Very low49.5Very low69 Ų69102.9 Ų102.971%0.71168%0.683SS**THydrogen-bonded Turntrans-81.46.8-179.300000115.9I770 G774I770-G772 PolarHBondContact O-N 3.35Å; G772-G774 PolarHBondContact O-N 2.8Å
773G50.5Low48.9Very low78 Ų78105.1 Ų105.180%0.80469%0.685SS**  trans-93.853.5-173.700000115.3A771A771-G773 VanDerWaalsContact C-N 3.29Å; A771-G773 PolarHBondContact O-N 3.38Å
774G44.6Very low48.6Very low65 Ų65106.9 Ų106.967%0.6769%0.693SS**  trans-158.5127.5-177.300000116.3G772G772-G774 PolarHBondContact O-N 2.8Å
775E40.4Very low48Very low174 Ų174106.6 Ų106.681%0.81370%0.698SS**  trans57116.1156.5-53.9-148.2102.600122.5
776K38.7Very low48Very low186 Ų186106.4 Ų106.481%0.80970%0.698SS**  trans44.898.4139.4-67.4175.7-179.7164.20120.6
777A44.9Very low47.7Very low93 Ų93100.5 Ų100.577%0.76968%0.678SS**  57.2112.4124.700000121.1
778T37.1Very low48.2Very low140 Ų140101.9 Ų101.986%0.85968%0.68SS**  -164.9150.8121.111.20000113.2
779S38.3Very low48.9Very low105 Ų105102.6 Ų102.673%0.73467%0.674SS**  trans34.8112.3156.558.20000122.7
780S38.8Very low49.9Very low124 Ų124100.9 Ų100.987%0.86766%0.656SS**  55.5112.4128.1-167.70000121.3
781G35.1Very low51Low74 Ų7499.8 Ų99.876%0.76365%0.651SS**  trans-173.725.5174.700000119.2
782T43.5Very low52.4Low106 Ų106100.1 Ų100.165%0.6564%0.64SS**  trans-15.5141.4164.147.60000118.1
783H46.6Very low54.1Low137 Ų137101.5 Ų101.563%0.63463%0.628SS**  cis-179.1-178.930.5-105.8-16.6000109.9T787H783-T787 PolarHBondContact CD2-OG1 3.31Å; H783-T787 PolarHBondContact CE1-OG1 2.87Å; H783-T787 PolarHBondContact ND1-OG1 3.33Å; H783-T787 VanDerWaalsContact ND1-OG1 3.08Å; H783-T787 PolarHBondContact NE2-OG1 3.15Å
784P54.2Low55.9Low88 Ų88104.8 Ų104.857%0.57162%0.616SS**SBendcis-136.7164.3-34.739.9-24000114.6T787P784-T787 WeakPolarHBondContact CB-OG1 3.45Å
785P50.3Low58.1Low119 Ų119106.4 Ų106.477%0.77360%0.602SS**SBend-121.1-16.7113.833.7-34.5000113.1T787P785-T787 VanDerWaalsContact C-N 3.27Å; P785-T787 PolarHBondContact O-N 2.98Å
786N56.2Low60.3Low103 Ų103102.3 Ų102.355%0.55159%0.585SS**Hα-helixtrans-72.9-12.5-172.7-129.219.9000114.5V788 N789 V790N786-V788 VanDerWaalsContact C-N 3.33Å; N786-V788 PolarHBondContact O-N 2.85Å; N786-N789 PolarHBondContact O-N 3.15Å; N786-V790 WeakPolarHBondContact O-CB 3.21Å; N786-V790 WeakPolarHBondContact O-CG2 3.38Å; N786-V790 PolarHBondContact O-N 3.08Å
787T58.6Low62.9Low33 Ų3399.2 Ų99.220%0.20257%0.573CS.*Hα-helixtrans-66-33.5-178.7-47.80000112.7H783 P784 P785 L791H783-T787 PolarHBondContact CD2-OG1 3.31Å; H783-T787 PolarHBondContact CE1-OG1 2.87Å; H783-T787 PolarHBondContact ND1-OG1 3.33Å; H783-T787 VanDerWaalsContact ND1-OG1 3.08Å; H783-T787 PolarHBondContact NE2-OG1 3.15Å; P784-T787 WeakPolarHBondContact CB-OG1 3.45Å; P785-T787 VanDerWaalsContact C-N 3.27Å; P785-T787 PolarHBondContact O-N 2.98Å; T787-L791 HydrophobicContact CG2-CD1 3.97Å; T787-L791 HydrophobicContact CG2-CG 4.28Å; T787-L791 VanDerWaalsContact O-CB 3.24Å; T787-L791 WeakPolarHBondContact O-CB 3.32Å; T787-L791 WeakPolarHBondContact O-CG 3.3Å; T787-L791 PolarHBondContact O-N 2.82Å
788V66.5Low65.1Low94 Ų94100.7 Ų100.757%0.5756%0.559SS**Hα-helixtrans-67.9-45.9176.9179.50000109.9N786 L791 L792N786-V788 VanDerWaalsContact C-N 3.33Å; N786-V788 PolarHBondContact O-N 2.85Å; V788-L791 PolarHBondContact O-N 2.77Å; V788-L792 HydrophobicContact CG1-CD1 3.96Å; V788-L792 HydrophobicContact CG1-CG 4.41Å; V788-L792 WeakPolarHBondContact O-CB 3.26Å; V788-L792 VanDerWaalsContact O-CG 3.3Å; V788-L792 WeakPolarHBondContact O-CG 3.31Å; V788-L792 PolarHBondContact O-N 3.25Å
789N69.5Low67.8Low83 Ų8397.9 Ų97.944%0.44454%0.538SS..Hα-helixtrans-60.9-49.5175.3-69.24.8000111.1N786 L791 L792 E793N786-N789 PolarHBondContact O-N 3.15Å; N789-L791 VanDerWaalsContact C-N 3.28Å; N789-L791 PolarHBondContact O-N 2.89Å; N789-L792 CarbonylContact O-C 3.54Å; N789-L792 PolarHBondContact O-N 3.31Å; N789-E793 WeakPolarHBondContact O-CB 3.42Å; N789-E793 VanDerWaalsContact O-CG 3.27Å; N789-E793 WeakPolarHBondContact O-CG 3.24Å; N789-E793 PolarHBondContact O-N 3.43Å
790V76.6Confident70.3Confident41 Ų4197.7 Ų97.725%0.24853%0.526CS..Hα-helixtrans-62.5-31.3177.5171.30000112.6N786 R794N786-V790 WeakPolarHBondContact O-CB 3.21Å; N786-V790 WeakPolarHBondContact O-CG2 3.38Å; N786-V790 PolarHBondContact O-N 3.08Å; V790-R794 HydrophobicContact CG1-CG 4.49Å; V790-R794 WeakPolarHBondContact O-CB 3.49Å; V790-R794 WeakPolarHBondContact O-CD 3.48Å; V790-R794 WeakPolarHBondContact O-CG 3.4Å; V790-R794 PolarHBondContact O-N 3.22Å
791L78.9Confident72.7Confident95 Ų9593.4 Ų93.450%0.49750%0.496SS..Hα-helixtrans-74.9-33.3173-76.1172000112.8T787 V788 N789 R795T787-L791 HydrophobicContact CG2-CD1 3.97Å; T787-L791 HydrophobicContact CG2-CG 4.28Å; T787-L791 VanDerWaalsContact O-CB 3.24Å; T787-L791 WeakPolarHBondContact O-CB 3.32Å; T787-L791 WeakPolarHBondContact O-CG 3.3Å; T787-L791 PolarHBondContact O-N 2.82Å; V788-L791 PolarHBondContact O-N 2.77Å; N789-L791 VanDerWaalsContact C-N 3.28Å; N789-L791 PolarHBondContact O-N 2.89Å; L791-R795 WeakPolarHBondContact O-CB 3.39Å; L791-R795 PolarHBondContact O-N 2.86Å
792L83.6Confident75.5Confident95 Ų9593.3 Ų93.350%0.49748%0.475SS..Hα-helixtrans-72.7-46.2174.3-72.6172000111.2V788 N789 R794 R795 I796V788-L792 HydrophobicContact CG1-CD1 3.96Å; V788-L792 HydrophobicContact CG1-CG 4.41Å; V788-L792 WeakPolarHBondContact O-CB 3.26Å; V788-L792 VanDerWaalsContact O-CG 3.3Å; V788-L792 WeakPolarHBondContact O-CG 3.31Å; V788-L792 PolarHBondContact O-N 3.25Å; N789-L792 CarbonylContact O-C 3.54Å; N789-L792 PolarHBondContact O-N 3.31Å; L792-R794 PolarHBondContact O-N 2.85Å; L792-R795 CarbonylContact O-C 3.45Å; L792-R795 WeakPolarHBondContact O-CA 3.43Å; L792-R795 PolarHBondContact O-N 2.89Å; L792-I796 WeakPolarHBondContact O-CB 3.36Å; L792-I796 VanDerWaalsContact O-CG1 3.31Å; L792-I796 WeakPolarHBondContact O-CG1 3.37Å; L792-I796 PolarHBondContact O-N 2.99Å
793E83.7Confident77.8Confident98 Ų9893.5 Ų93.546%0.45847%0.472SS..Hα-helixtrans-54.4-50.7170.3-70.9157.4-164.400110.2N789 R795 I796 Q797N789-E793 WeakPolarHBondContact O-CB 3.42Å; N789-E793 VanDerWaalsContact O-CG 3.27Å; N789-E793 WeakPolarHBondContact O-CG 3.24Å; N789-E793 PolarHBondContact O-N 3.43Å; E793-R795 PolarHBondContact O-N 3.27Å; E793-I796 PolarHBondContact O-N 3.26Å; E793-Q797 WeakPolarHBondContact O-CB 3.34Å; E793-Q797 VanDerWaalsContact O-CG 3.31Å; E793-Q797 WeakPolarHBondContact O-CG 3.2Å; E793-Q797 PolarHBondContact O-N 3.02Å
794R87.8Confident80.1Confident148 Ų14893.2 Ų93.256%0.55847%0.471SS*.Hα-helixtrans-67.2-11.9173.4-71.2171.1-178179.80.9114.2V790 L792 R798V790-R794 HydrophobicContact CG1-CG 4.49Å; V790-R794 WeakPolarHBondContact O-CB 3.49Å; V790-R794 WeakPolarHBondContact O-CD 3.48Å; V790-R794 WeakPolarHBondContact O-CG 3.4Å; V790-R794 PolarHBondContact O-N 3.22Å; L792-R794 PolarHBondContact O-N 2.85Å; R794-R798 WeakPolarHBondContact O-CB 3.35Å; R794-R798 WeakPolarHBondContact O-CG 3.46Å; R794-R798 PolarHBondContact O-NE 3.05Å; R794-R798 PolarHBondContact O-NH2 3.07Å
795R90.7Very high81.9Confident98 Ų9895.9 Ų95.937%0.3747%0.47SS..Hα-helixtrans-93.6-36.7171.8-176.654.3179.6144.9-1.5111.2L791 L792 E793 R798 L799 E802L791-R795 WeakPolarHBondContact O-CB 3.39Å; L791-R795 PolarHBondContact O-N 2.86Å; L792-R795 CarbonylContact O-C 3.45Å; L792-R795 WeakPolarHBondContact O-CA 3.43Å; L792-R795 PolarHBondContact O-N 2.89Å; E793-R795 PolarHBondContact O-N 3.27Å; R795-R798 PolarHBondContact O-N 2.63Å; R795-L799 HydrophobicContact CG-CD1 4.03Å; R795-L799 HydrophobicContact CG-CG 4.45Å; R795-L799 WeakPolarHBondContact O-CB 3.47Å; R795-L799 VanDerWaalsContact O-CG 3.26Å; R795-L799 WeakPolarHBondContact O-CG 3.09Å; R795-L799 PolarHBondContact O-N 3.15Å; R795-E802 IonicContact CZ-OE2 3.73Å; R795-E802 VanDerWaalsContact NH1-CD 3.26Å; R795-E802 IonicContact NH1-OE1 2.78Å; R795-E802 PolarHBondContact NH1-OE1 3.22Å; R795-E802 IonicContact NH1-OE2 3.76Å; R795-E802 PolarHBondContact NH1-OE2 3.22Å; R795-E802 IonicContact NH2-OE2 2.7Å
796I87.8Confident84Confident89 Ų8995.7 Ų95.746%0.45646%0.458SS..Hα-helixtrans-61.5-55.9171.5-70.3163.4000108.8L792 E793 R798 L799 E800L792-I796 WeakPolarHBondContact O-CB 3.36Å; L792-I796 VanDerWaalsContact O-CG1 3.31Å; L792-I796 WeakPolarHBondContact O-CG1 3.37Å; L792-I796 PolarHBondContact O-N 2.99Å; E793-I796 PolarHBondContact O-N 3.26Å; I796-R798 PolarHBondContact O-N 2.97Å; I796-R798 VanDerWaalsContact O-N 3.11Å; I796-L799 CarbonylContact O-C 3.56Å; I796-L799 WeakPolarHBondContact O-CA 3.23Å; I796-L799 WeakPolarHBondContact O-CB 3.26Å; I796-L799 PolarHBondContact O-N 2.93Å; I796-E800 VanDerWaalsContact CG2-CD 3.45Å; I796-E800 HydrophobicContact CG2-CG 4.27Å; I796-E800 VanDerWaalsContact CG2-OE1 3.23Å; I796-E800 WeakPolarHBondContact CG2-OE1 3.3Å; I796-E800 WeakPolarHBondContact O-CB 3.48Å; I796-E800 VanDerWaalsContact O-CG 3.32Å; I796-E800 WeakPolarHBondContact O-CG 3.43Å; I796-E800 PolarHBondContact O-N 3Å
797Q92.4Very high85.7Confident120 Ų12094.8 Ų94.856%0.56145%0.453SS*.Hα-helixtrans-55.6-33.5174.8-70.8171.5-14.200113.7E793 E800 S801E793-Q797 WeakPolarHBondContact O-CB 3.34Å; E793-Q797 VanDerWaalsContact O-CG 3.31Å; E793-Q797 WeakPolarHBondContact O-CG 3.2Å; E793-Q797 PolarHBondContact O-N 3.02Å; Q797-E800 VanDerWaalsContact CA-OE2 3.27Å; Q797-E800 WeakPolarHBondContact CA-OE2 3.47Å; Q797-E800 PolarHBondContact N-OE2 3.46Å; Q797-S801 WeakPolarHBondContact O-CB 3.48Å; Q797-S801 PolarHBondContact O-N 2.85Å; Q797-S801 PolarHBondContact O-OG 3.47Å
798R92.2Very high87.4Confident124 Ų12496.2 Ų96.247%0.46846%0.458SS..Hα-helixtrans-71.5-48.4173.1-90.5-176.6-67.1160.43.9111.7R794 R795 I796 E800 S801 E802R794-R798 WeakPolarHBondContact O-CB 3.35Å; R794-R798 WeakPolarHBondContact O-CG 3.46Å; R794-R798 PolarHBondContact O-NE 3.05Å; R794-R798 PolarHBondContact O-NH2 3.07Å; R795-R798 PolarHBondContact O-N 2.63Å; I796-R798 PolarHBondContact O-N 2.97Å; I796-R798 VanDerWaalsContact O-N 3.11Å; R798-E800 VanDerWaalsContact C-N 3.31Å; R798-E800 PolarHBondContact O-N 2.87Å; R798-S801 CarbonylContact O-C 3.6Å; R798-S801 PolarHBondContact O-N 3.18Å; R798-S801 VanDerWaalsContact O-N 3.16Å; R798-S801 PolarHBondContact O-OG 2.84Å; R798-E802 VanDerWaalsContact O-CB 3.31Å; R798-E802 WeakPolarHBondContact O-CB 3.38Å; R798-E802 WeakPolarHBondContact O-CG 3.46Å; R798-E802 PolarHBondContact O-N 2.89Å
799L93.3Very high88.6Confident82 Ų8295.7 Ų95.743%0.42945%0.449SS..Hα-helixtrans-60.6-38.2176.3-75.6166.1000112.2R795 I796 E802 L803R795-L799 HydrophobicContact CG-CD1 4.03Å; R795-L799 HydrophobicContact CG-CG 4.45Å; R795-L799 WeakPolarHBondContact O-CB 3.47Å; R795-L799 VanDerWaalsContact O-CG 3.26Å; R795-L799 WeakPolarHBondContact O-CG 3.09Å; R795-L799 PolarHBondContact O-N 3.15Å; I796-L799 CarbonylContact O-C 3.56Å; I796-L799 WeakPolarHBondContact O-CA 3.23Å; I796-L799 WeakPolarHBondContact O-CB 3.26Å; I796-L799 PolarHBondContact O-N 2.93Å; L799-E802 PolarHBondContact O-N 2.94Å; L799-L803 VanDerWaalsContact O-CB 3.3Å; L799-L803 WeakPolarHBondContact O-CB 3.47Å; L799-L803 PolarHBondContact O-N 2.67Å
800E90Very high89.6Confident101 Ų10194.2 Ų94.247%0.47245%0.448SS..Hα-helixtrans-62.4-50172-70.4163.8160.400109.7I796 Q797 R798 E802 L803 E804I796-E800 VanDerWaalsContact CG2-CD 3.45Å; I796-E800 HydrophobicContact CG2-CG 4.27Å; I796-E800 VanDerWaalsContact CG2-OE1 3.23Å; I796-E800 WeakPolarHBondContact CG2-OE1 3.3Å; I796-E800 WeakPolarHBondContact O-CB 3.48Å; I796-E800 VanDerWaalsContact O-CG 3.32Å; I796-E800 WeakPolarHBondContact O-CG 3.43Å; I796-E800 PolarHBondContact O-N 3Å; Q797-E800 VanDerWaalsContact CA-OE2 3.27Å; Q797-E800 WeakPolarHBondContact CA-OE2 3.47Å; Q797-E800 PolarHBondContact N-OE2 3.46Å; R798-E800 VanDerWaalsContact C-N 3.31Å; R798-E800 PolarHBondContact O-N 2.87Å; E800-E802 VanDerWaalsContact C-N 3.27Å; E800-E802 PolarHBondContact O-N 2.99Å; E800-L803 PolarHBondContact O-N 3.44Å; E800-E804 WeakPolarHBondContact O-CB 3.35Å; E800-E804 WeakPolarHBondContact O-CG 3.22Å; E800-E804 PolarHBondContact O-N 2.81Å
801S90.3Very high90.4Very high34 Ų3496.8 Ų96.824%0.23846%0.456CS..Hα-helixtrans-71.2-15.6176830000115.1Q797 R798 R805Q797-S801 WeakPolarHBondContact O-CB 3.48Å; Q797-S801 PolarHBondContact O-N 2.85Å; Q797-S801 PolarHBondContact O-OG 3.47Å; R798-S801 CarbonylContact O-C 3.6Å; R798-S801 PolarHBondContact O-N 3.18Å; R798-S801 VanDerWaalsContact O-N 3.16Å; R798-S801 PolarHBondContact O-OG 2.84Å; S801-R805 WeakPolarHBondContact O-CB 3.33Å; S801-R805 VanDerWaalsContact O-CG 3.26Å; S801-R805 WeakPolarHBondContact O-CG 3.48Å; S801-R805 PolarHBondContact O-N 3.15Å; S801-R805 PolarHBondContact O-NH1 3.04Å; S801-R805 PolarHBondContact OG-NH1 3.24Å
802E92.4Very high91.2Very high71 Ų7198.4 Ų98.433%0.33246%0.455SS..Hα-helixtrans-81.9-42171.9-76.7157.5-149.200108.8R795 R798 L799 E800 R805 H806R795-E802 IonicContact CZ-OE2 3.73Å; R795-E802 VanDerWaalsContact NH1-CD 3.26Å; R795-E802 IonicContact NH1-OE1 2.78Å; R795-E802 PolarHBondContact NH1-OE1 3.22Å; R795-E802 IonicContact NH1-OE2 3.76Å; R795-E802 PolarHBondContact NH1-OE2 3.22Å; R795-E802 IonicContact NH2-OE2 2.7Å; R798-E802 VanDerWaalsContact O-CB 3.31Å; R798-E802 WeakPolarHBondContact O-CB 3.38Å; R798-E802 WeakPolarHBondContact O-CG 3.46Å; R798-E802 PolarHBondContact O-N 2.89Å; L799-E802 PolarHBondContact O-N 2.94Å; E800-E802 VanDerWaalsContact C-N 3.27Å; E800-E802 PolarHBondContact O-N 2.99Å; E802-R805 PolarHBondContact O-N 3.46Å; E802-H806 PolarHBondContact O-CD2 3.29Å; E802-H806 PolarHBondContact O-N 3.31Å
803L93.3Very high91.6Very high110 Ų11097.6 Ų97.658%0.57646%0.455SS*.Hα-helixtrans-65.7-49173.5-168.974.8000111.7L799 E800 R805 H806 D807L799-L803 VanDerWaalsContact O-CB 3.3Å; L799-L803 WeakPolarHBondContact O-CB 3.47Å; L799-L803 PolarHBondContact O-N 2.67Å; E800-L803 PolarHBondContact O-N 3.44Å; L803-R805 PolarHBondContact O-N 3.43Å; L803-H806 CarbonylContact O-C 3.6Å; L803-H806 PolarHBondContact O-N 2.94Å; L803-H806 VanDerWaalsContact O-N 3.09Å; L803-D807 PolarHBondContact O-N 2.75Å
804E93.8Very high92.1Very high131 Ų13197.4 Ų97.461%0.61246%0.456SS*.Hα-helixtrans-59-35.5175-73.5177.5163.600112.2E800 E808E800-E804 WeakPolarHBondContact O-CB 3.35Å; E800-E804 WeakPolarHBondContact O-CG 3.22Å; E800-E804 PolarHBondContact O-N 2.81Å; E804-E808 WeakPolarHBondContact O-CB 3.48Å; E804-E808 PolarHBondContact O-N 3.14Å
805R92.8Very high92.3Very high145 Ų14595.6 Ų95.655%0.54745%0.449SS..Hα-helixtrans-65.6-47.5172.5-87.6-178.3-174.482.4-2.5111.5S801 E802 L803 D807 E808 E809S801-R805 WeakPolarHBondContact O-CB 3.33Å; S801-R805 VanDerWaalsContact O-CG 3.26Å; S801-R805 WeakPolarHBondContact O-CG 3.48Å; S801-R805 PolarHBondContact O-N 3.15Å; S801-R805 PolarHBondContact O-NH1 3.04Å; S801-R805 PolarHBondContact OG-NH1 3.24Å; E802-R805 PolarHBondContact O-N 3.46Å; L803-R805 PolarHBondContact O-N 3.43Å; R805-D807 VanDerWaalsContact C-N 3.34Å; R805-E808 CarbonylContact O-C 3.56Å; R805-E808 PolarHBondContact O-N 3.35Å; R805-E809 WeakPolarHBondContact O-CB 3.26Å; R805-E809 WeakPolarHBondContact O-CG 3.46Å; R805-E809 PolarHBondContact O-N 2.96Å
806H93.3Very high92.5Very high115 Ų11594.2 Ų94.253%0.53245%0.452SS..Hα-helixtrans-65.2-35.2177.5-73.5-35000112.7E802 L803 E809 A810E802-H806 PolarHBondContact O-CD2 3.29Å; E802-H806 PolarHBondContact O-N 3.31Å; L803-H806 CarbonylContact O-C 3.6Å; L803-H806 PolarHBondContact O-N 2.94Å; L803-H806 VanDerWaalsContact O-N 3.09Å; H806-E809 IonicContact CE1-OE2 3.33Å; H806-E809 IonicContact CG-OE2 3.59Å; H806-E809 IonicContact ND1-OE2 2.71Å; H806-E809 PolarHBondContact ND1-OE2 3.34Å; H806-E809 PolarHBondContact O-N 3.21Å; H806-A810 VanDerWaalsContact O-CB 3.3Å; H806-A810 WeakPolarHBondContact O-CB 3.44Å; H806-A810 PolarHBondContact O-N 2.83Å
807D91.9Very high92.4Very high83 Ų8395 Ų9544%0.44446%0.456SS..Hα-helixtrans-66.9-41.7172.3-81.6-13.6000111.5L803 R805 A810 K811L803-D807 PolarHBondContact O-N 2.75Å; R805-D807 VanDerWaalsContact C-N 3.34Å; D807-A810 PolarHBondContact O-N 2.81Å; D807-K811 WeakPolarHBondContact O-CB 3.25Å; D807-K811 WeakPolarHBondContact O-CE 3.41Å; D807-K811 WeakPolarHBondContact O-CG 3.19Å; D807-K811 PolarHBondContact O-N 2.94Å
808E94.3Very high92.2Very high64 Ų6493.8 Ų93.830%0.29945%0.45SS..Hα-helixtrans-71-30.1173.2-77.8-55.9135.300113E804 R805 K811 R812 R815E804-E808 WeakPolarHBondContact O-CB 3.48Å; E804-E808 PolarHBondContact O-N 3.14Å; R805-E808 CarbonylContact O-C 3.56Å; R805-E808 PolarHBondContact O-N 3.35Å; E808-K811 VanDerWaalsContact OE1-CD 3.26Å; E808-K811 WeakPolarHBondContact OE1-CD 3.49Å; E808-K811 WeakPolarHBondContact OE1-CE 3.4Å; E808-K811 IonicContact OE1-NZ 3.77Å; E808-K811 PolarHBondContact OE1-NZ 3.25Å; E808-R812 VanDerWaalsContact C-NH1 3.26Å; E808-R812 WeakPolarHBondContact O-CB 3.24Å; E808-R812 WeakPolarHBondContact O-CG 3.36Å; E808-R812 PolarHBondContact O-N 2.82Å; E808-R812 PolarHBondContact O-NH1 3.47Å; E808-R815 IonicContact OE2-NH2 2.8Å; E808-R815 PolarHBondContact OE2-NH2 3.49Å
809E92.9Very high92.2Very high83 Ų8394.1 Ų94.139%0.38846%0.457SS..Hα-helixtrans-66.6-44.7170.1-75.1160-168.700110.8R805 H806 K811 R812 T813R805-E809 WeakPolarHBondContact O-CB 3.26Å; R805-E809 WeakPolarHBondContact O-CG 3.46Å; R805-E809 PolarHBondContact O-N 2.96Å; H806-E809 IonicContact CE1-OE2 3.33Å; H806-E809 IonicContact CG-OE2 3.59Å; H806-E809 IonicContact ND1-OE2 2.71Å; H806-E809 PolarHBondContact ND1-OE2 3.34Å; H806-E809 PolarHBondContact O-N 3.21Å; E809-K811 PolarHBondContact O-N 3.28Å; E809-R812 CarbonylContact O-C 3.58Å; E809-R812 WeakPolarHBondContact O-CA 3.36Å; E809-R812 WeakPolarHBondContact O-CB 3.13Å; E809-R812 PolarHBondContact O-N 3.31Å; E809-T813 PolarHBondContact O-N 3.39Å; E809-T813 PolarHBondContact O-OG1 3.46Å
810A89.4Confident92Very high51 Ų5195.7 Ų95.742%0.42146%0.462SS..Hα-helixtrans-62.1-41.7173.600000111.8H806 D807 R812 T813 L814H806-A810 VanDerWaalsContact O-CB 3.3Å; H806-A810 WeakPolarHBondContact O-CB 3.44Å; H806-A810 PolarHBondContact O-N 2.83Å; D807-A810 PolarHBondContact O-N 2.81Å; A810-R812 VanDerWaalsContact C-N 3.32Å; A810-R812 PolarHBondContact O-N 2.72Å; A810-T813 WeakPolarHBondContact CA-OG1 3.21Å; A810-T813 PolarHBondContact O-N 2.89Å; A810-T813 PolarHBondContact O-OG1 3.08Å; A810-T813 VanDerWaalsContact O-OG1 3.06Å; A810-L814 WeakPolarHBondContact O-CB 3.49Å; A810-L814 PolarHBondContact O-N 3.46Å
811K94.4Very high92.1Very high96 Ų9697 Ų9742%0.41747%0.466SS..Hα-helixtrans-65.4-33.3171.7-67.5166.3-142.8168.90111.7D807 E808 E809 R815D807-K811 WeakPolarHBondContact O-CB 3.25Å; D807-K811 WeakPolarHBondContact O-CE 3.41Å; D807-K811 WeakPolarHBondContact O-CG 3.19Å; D807-K811 PolarHBondContact O-N 2.94Å; E808-K811 VanDerWaalsContact OE1-CD 3.26Å; E808-K811 WeakPolarHBondContact OE1-CD 3.49Å; E808-K811 WeakPolarHBondContact OE1-CE 3.4Å; E808-K811 IonicContact OE1-NZ 3.77Å; E808-K811 PolarHBondContact OE1-NZ 3.25Å; E809-K811 PolarHBondContact O-N 3.28Å; K811-R815 VanDerWaalsContact CB-NH2 3.31Å; K811-R815 WeakPolarHBondContact O-CB 3.47Å; K811-R815 WeakPolarHBondContact O-CG 3.33Å; K811-R815 PolarHBondContact O-N 3.03Å; K811-R815 PolarHBondContact O-NE 2.91Å
812R94.7Very high92.2Very high129 Ų129100.8 Ų100.849%0.48748%0.48SS..Hα-helixtrans-69.8-46.7174.7-75.5166.9-158.2115.63111.3E808 E809 A810 R815 T816E808-R812 VanDerWaalsContact C-NH1 3.26Å; E808-R812 WeakPolarHBondContact O-CB 3.24Å; E808-R812 WeakPolarHBondContact O-CG 3.36Å; E808-R812 PolarHBondContact O-N 2.82Å; E808-R812 PolarHBondContact O-NH1 3.47Å; E809-R812 CarbonylContact O-C 3.58Å; E809-R812 WeakPolarHBondContact O-CA 3.36Å; E809-R812 WeakPolarHBondContact O-CB 3.13Å; E809-R812 PolarHBondContact O-N 3.31Å; A810-R812 VanDerWaalsContact C-N 3.32Å; A810-R812 PolarHBondContact O-N 2.72Å; R812-R815 PolarHBondContact O-N 3.27Å; R812-T816 PolarHBondContact O-N 3.17Å; R812-T816 PolarHBondContact O-OG1 2.96Å
813T92.3Very high92.2Very high78 Ų78103.7 Ų103.748%0.47949%0.494SS..Hα-helixtrans-65.2-41.6178.354.90000111.4E809 A810 T816 I817E809-T813 PolarHBondContact O-N 3.39Å; E809-T813 PolarHBondContact O-OG1 3.46Å; A810-T813 WeakPolarHBondContact CA-OG1 3.21Å; A810-T813 PolarHBondContact O-N 2.89Å; A810-T813 PolarHBondContact O-OG1 3.08Å; A810-T813 VanDerWaalsContact O-OG1 3.06Å; T813-T816 VanDerWaalsContact CA-OG1 3.32Å; T813-T816 WeakPolarHBondContact CA-OG1 3.42Å; T813-T816 PolarHBondContact O-N 3.46Å; T813-T816 PolarHBondContact O-OG1 2.79Å; T813-I817 VanDerWaalsContact O-CG1 3.29Å; T813-I817 WeakPolarHBondContact O-CG1 3.39Å; T813-I817 PolarHBondContact O-N 3.45Å
814L93.8Very high92.1Very high94 Ų94102.9 Ų102.949%0.49249%0.489SS..Hα-helixtrans-58.5-48.6172.2-173.7146.1000111A810 T816 I817 E818A810-L814 WeakPolarHBondContact O-CB 3.49Å; A810-L814 PolarHBondContact O-N 3.46Å; L814-T816 VanDerWaalsContact C-N 3.31Å; L814-T816 PolarHBondContact O-N 2.77Å; L814-I817 PolarHBondContact O-N 3Å; L814-I817 VanDerWaalsContact O-N 3.1Å; L814-E818 VanDerWaalsContact CD2-CD 3.44Å; L814-E818 HydrophobicContact CD2-CG 4.08Å; L814-E818 WeakPolarHBondContact CD2-OE1 3.35Å; L814-E818 WeakPolarHBondContact O-CG 3.47Å; L814-E818 PolarHBondContact O-N 2.9Å
815R93.6Very high92Very high110 Ų110100.9 Ų100.942%0.41548%0.478SS..Hα-helixtrans-58.8-37174-77.7173.4-73.4-157.8-2.7113.2E808 K811 R812 Q819E808-R815 IonicContact OE2-NH2 2.8Å; E808-R815 PolarHBondContact OE2-NH2 3.49Å; K811-R815 VanDerWaalsContact CB-NH2 3.31Å; K811-R815 WeakPolarHBondContact O-CB 3.47Å; K811-R815 WeakPolarHBondContact O-CG 3.33Å; K811-R815 PolarHBondContact O-N 3.03Å; K811-R815 PolarHBondContact O-NE 2.91Å; R812-R815 PolarHBondContact O-N 3.27Å; R815-Q819 WeakPolarHBondContact O-CB 3.36Å; R815-Q819 VanDerWaalsContact O-CG 3.22Å; R815-Q819 WeakPolarHBondContact O-CG 3.43Å; R815-Q819 PolarHBondContact O-N 2.89Å
816T94Very high91.9Very high69 Ų6998.4 Ų98.442%0.42348%0.475SS..Hα-helixtrans-72.3-33174.652.70000113.3R812 T813 L814 Q819 Q820R812-T816 PolarHBondContact O-N 3.17Å; R812-T816 PolarHBondContact O-OG1 2.96Å; T813-T816 VanDerWaalsContact CA-OG1 3.32Å; T813-T816 WeakPolarHBondContact CA-OG1 3.42Å; T813-T816 PolarHBondContact O-N 3.46Å; T813-T816 PolarHBondContact O-OG1 2.79Å; L814-T816 VanDerWaalsContact C-N 3.31Å; L814-T816 PolarHBondContact O-N 2.77Å; T816-Q819 PolarHBondContact O-N 2.82Å; T816-Q820 WeakPolarHBondContact O-CG 3.41Å; T816-Q820 PolarHBondContact O-N 2.85Å
817I86.4Confident91.7Very high105 Ų10596.1 Ų96.154%0.53847%0.472SS..Hα-helixtrans-71.7-39.3174.8-68.7163.3000110.1T813 L814 Q819 Q820 F821T813-I817 VanDerWaalsContact O-CG1 3.29Å; T813-I817 WeakPolarHBondContact O-CG1 3.39Å; T813-I817 PolarHBondContact O-N 3.45Å; L814-I817 PolarHBondContact O-N 3Å; L814-I817 VanDerWaalsContact O-N 3.1Å; I817-Q819 VanDerWaalsContact C-N 3.35Å; I817-Q820 PolarHBondContact O-N 3.25Å; I817-F821 WeakPolarHBondContact O-CB 3.37Å; I817-F821 PolarHBondContact O-N 3.44Å
818E86.6Confident91.7Very high95 Ų9599 Ų9944%0.44448%0.478SS..Hα-helixtrans-59.9-43.9169.9-72.4175.6144.200111.1L814 F821 H822L814-E818 VanDerWaalsContact CD2-CD 3.44Å; L814-E818 HydrophobicContact CD2-CG 4.08Å; L814-E818 WeakPolarHBondContact CD2-OE1 3.35Å; L814-E818 WeakPolarHBondContact O-CG 3.47Å; L814-E818 PolarHBondContact O-N 2.9Å; E818-F821 PolarHBondContact O-N 3.48Å; E818-H822 WeakPolarHBondContact O-CB 3.29Å; E818-H822 PolarHBondContact O-N 3.13Å; E818-H822 PolarHBondContact O-ND1 2.94Å
819Q92.7Very high91.6Very high130 Ų130100.2 Ų100.261%0.60748%0.483SS*.Hα-helixtrans-63.2-42.1175.4-75.9168.2-7.500112.1R815 T816 I817 H822 Q823R815-Q819 WeakPolarHBondContact O-CB 3.36Å; R815-Q819 VanDerWaalsContact O-CG 3.22Å; R815-Q819 WeakPolarHBondContact O-CG 3.43Å; R815-Q819 PolarHBondContact O-N 2.89Å; T816-Q819 PolarHBondContact O-N 2.82Å; I817-Q819 VanDerWaalsContact C-N 3.35Å; Q819-H822 PolarHBondContact O-N 3.19Å; Q819-Q823 WeakPolarHBondContact O-CB 3.48Å; Q819-Q823 PolarHBondContact O-N 3.1Å
820Q89.3Confident91.5Very high116 Ų116101.3 Ų101.354%0.54249%0.488SS..Hα-helixtrans-65.5-40.2173.8-76.3-177.2-18.100112.3T816 I817 Q823 I824T816-Q820 WeakPolarHBondContact O-CG 3.41Å; T816-Q820 PolarHBondContact O-N 2.85Å; I817-Q820 PolarHBondContact O-N 3.25Å; Q820-Q823 PolarHBondContact O-N 3.2Å; Q820-I824 WeakPolarHBondContact O-CB 3.23Å; Q820-I824 VanDerWaalsContact O-CG1 3.25Å; Q820-I824 WeakPolarHBondContact O-CG1 3.43Å; Q820-I824 PolarHBondContact O-N 3.12Å
821F92.3Very high91.4Very high127 Ų127103.5 Ų103.556%0.55749%0.49SS*.Hα-helixtrans-61.3-46.2173.4172.6-97.7000111.2I817 E818 Q823 I824 K825I817-F821 WeakPolarHBondContact O-CB 3.37Å; I817-F821 PolarHBondContact O-N 3.44Å; E818-F821 PolarHBondContact O-N 3.48Å; F821-Q823 VanDerWaalsContact C-N 3.35Å; F821-Q823 PolarHBondContact O-N 3.24Å; F821-I824 PolarHBondContact O-N 2.74Å; F821-K825 HydrophobicContact CE1-CD 4.34Å; F821-K825 WeakPolarHBondContact O-CB 3.38Å; F821-K825 PolarHBondContact O-N 3.17Å
822H91.6Very high91.1Very high115 Ų115103 Ų10353%0.53249%0.491SS..Hα-helixtrans-63.3-39.9175.4-75.986.5000111.6E818 Q819 K825 L826E818-H822 WeakPolarHBondContact O-CB 3.29Å; E818-H822 PolarHBondContact O-N 3.13Å; E818-H822 PolarHBondContact O-ND1 2.94Å; Q819-H822 PolarHBondContact O-N 3.19Å; H822-K825 PolarHBondContact O-N 3.01Å; H822-L826 VanDerWaalsContact O-CB 3.25Å; H822-L826 WeakPolarHBondContact O-CB 3.25Å; H822-L826 PolarHBondContact O-N 3.28Å
823Q93Very high90.8Very high131 Ų131100.4 Ų100.461%0.61249%0.492SS*.Hα-helixtrans-64.6-48.1176.6-174.3177.36.100112Q819 Q820 F821 K825 L826 C827Q819-Q823 WeakPolarHBondContact O-CB 3.48Å; Q819-Q823 PolarHBondContact O-N 3.1Å; Q820-Q823 PolarHBondContact O-N 3.2Å; F821-Q823 VanDerWaalsContact C-N 3.35Å; F821-Q823 PolarHBondContact O-N 3.24Å; Q823-K825 VanDerWaalsContact C-N 3.35Å; Q823-L826 PolarHBondContact O-N 3.36Å; Q823-C827 PolarHBondContact O-N 3.24Å; Q823-C827 PolarHBondContact O-SG 2.81Å; Q823-C827 VanDerWaalsContact O-SG 3.32Å
824I90.4Very high90.7Very high94 Ų94102.2 Ų102.248%0.48249%0.494SS..Hα-helixtrans-62.8-43.4176.9-70.4165.5000110.4Q820 F821 L826 C827 Y828Q820-I824 WeakPolarHBondContact O-CB 3.23Å; Q820-I824 VanDerWaalsContact O-CG1 3.25Å; Q820-I824 WeakPolarHBondContact O-CG1 3.43Å; Q820-I824 PolarHBondContact O-N 3.12Å; F821-I824 PolarHBondContact O-N 2.74Å; I824-L826 VanDerWaalsContact C-N 3.34Å; I824-L826 PolarHBondContact O-N 3.07Å; I824-C827 PolarHBondContact O-N 2.85Å; I824-Y828 HydrophobicContact CG2-CD2 3.72Å; I824-Y828 HydrophobicContact CG2-CE2 3.46Å; I824-Y828 VanDerWaalsContact CG2-CE2 3.46Å; I824-Y828 VanDerWaalsContact O-CD2 3.29Å; I824-Y828 WeakPolarHBondContact O-CD2 3.43Å; I824-Y828 PolarHBondContact O-N 2.88Å
825K92.3Very high90.1Very high89 Ų89101.9 Ų101.939%0.38749%0.493SS..Hα-helixtrans-57.8-46.7173.5179.9-173.4162.6-172.90110.8F821 H822 Q823 C827 Y828 E829F821-K825 HydrophobicContact CE1-CD 4.34Å; F821-K825 WeakPolarHBondContact O-CB 3.38Å; F821-K825 PolarHBondContact O-N 3.17Å; H822-K825 PolarHBondContact O-N 3.01Å; Q823-K825 VanDerWaalsContact C-N 3.35Å; K825-C827 VanDerWaalsContact C-N 3.34Å; K825-C827 PolarHBondContact O-N 3.06Å; K825-Y828 CarbonylContact O-C 3.58Å; K825-Y828 PolarHBondContact O-N 2.87Å; K825-Y828 VanDerWaalsContact O-N 3.14Å; K825-E829 WeakPolarHBondContact CE-OE1 3.35Å; K825-E829 VanDerWaalsContact CE-OE2 3.24Å; K825-E829 WeakPolarHBondContact CE-OE2 3.43Å; K825-E829 HydrophobicContact CG-CG 4.37Å; K825-E829 IonicContact NZ-OE1 2.68Å; K825-E829 PolarHBondContact NZ-OE1 3.38Å; K825-E829 VanDerWaalsContact NZ-OE1 3.16Å; K825-E829 IonicContact NZ-OE2 2.83Å; K825-E829 WeakPolarHBondContact O-CB 3.25Å; K825-E829 WeakPolarHBondContact O-CG 3.19Å; K825-E829 PolarHBondContact O-N 2.87Å
826L91.2Very high89.6Confident92 Ų92102 Ų10248%0.48250%0.498SS..Hα-helixtrans-68.3-33.1-179.1-147.1152.1000111.6H822 Q823 I824 Q830H822-L826 VanDerWaalsContact O-CB 3.25Å; H822-L826 WeakPolarHBondContact O-CB 3.25Å; H822-L826 PolarHBondContact O-N 3.28Å; Q823-L826 PolarHBondContact O-N 3.36Å; I824-L826 VanDerWaalsContact C-N 3.34Å; I824-L826 PolarHBondContact O-N 3.07Å; L826-Q830 HydrophobicContact CD2-CG 4.12Å; L826-Q830 VanDerWaalsContact O-CB 3.28Å; L826-Q830 WeakPolarHBondContact O-CB 3.48Å; L826-Q830 VanDerWaalsContact O-CG 3.25Å; L826-Q830 WeakPolarHBondContact O-CG 3.32Å; L826-Q830 PolarHBondContact O-N 3.36Å
827C89Confident89Confident68 Ų68104 Ų10446%0.45950%0.503SS..Hα-helixtrans-65.8-39.4169.1-68.10000112.6Q823 I824 K825 Q831Q823-C827 PolarHBondContact O-N 3.24Å; Q823-C827 PolarHBondContact O-SG 2.81Å; Q823-C827 VanDerWaalsContact O-SG 3.32Å; I824-C827 PolarHBondContact O-N 2.85Å; K825-C827 VanDerWaalsContact C-N 3.34Å; K825-C827 PolarHBondContact O-N 3.06Å; C827-Q831 WeakPolarHBondContact O-CB 3.41Å; C827-Q831 PolarHBondContact O-N 2.84Å
828Y91.9Very high88.5Confident144 Ų144104 Ų10457%0.56550%0.501SS*.Hα-helixtrans-71.9-37.6174-74.9-53.3000112.8I824 K825 Q830 Q831 I832I824-Y828 HydrophobicContact CG2-CD2 3.72Å; I824-Y828 HydrophobicContact CG2-CE2 3.46Å; I824-Y828 VanDerWaalsContact CG2-CE2 3.46Å; I824-Y828 VanDerWaalsContact O-CD2 3.29Å; I824-Y828 WeakPolarHBondContact O-CD2 3.43Å; I824-Y828 PolarHBondContact O-N 2.88Å; K825-Y828 CarbonylContact O-C 3.58Å; K825-Y828 PolarHBondContact O-N 2.87Å; K825-Y828 VanDerWaalsContact O-N 3.14Å; Y828-Q830 VanDerWaalsContact C-N 3.35Å; Y828-Q831 PolarHBondContact O-N 3.35Å; Y828-I832 WeakPolarHBondContact O-CB 3.45Å; Y828-I832 WeakPolarHBondContact O-CD1 3.34Å; Y828-I832 WeakPolarHBondContact O-CG1 3.09Å; Y828-I832 PolarHBondContact O-N 3.44Å
829E91.1Very high87.5Confident88 Ų88104.9 Ų104.941%0.41151%0.507SS..Hα-helixtrans-64.8-39.4172.6-74.5175.1147.400110.6K825 I832 C833K825-E829 WeakPolarHBondContact CE-OE1 3.35Å; K825-E829 VanDerWaalsContact CE-OE2 3.24Å; K825-E829 WeakPolarHBondContact CE-OE2 3.43Å; K825-E829 HydrophobicContact CG-CG 4.37Å; K825-E829 IonicContact NZ-OE1 2.68Å; K825-E829 PolarHBondContact NZ-OE1 3.38Å; K825-E829 VanDerWaalsContact NZ-OE1 3.16Å; K825-E829 IonicContact NZ-OE2 2.83Å; K825-E829 WeakPolarHBondContact O-CB 3.25Å; K825-E829 WeakPolarHBondContact O-CG 3.19Å; K825-E829 PolarHBondContact O-N 2.87Å; E829-I832 PolarHBondContact O-N 2.9Å; E829-C833 WeakPolarHBondContact O-CB 3.22Å; E829-C833 PolarHBondContact O-N 3.35Å; E829-C833 PolarHBondContact O-SG 3.49Å
830Q91.1Very high86.4Confident106 Ų106105.2 Ų105.250%0.49551%0.509SS..Hα-helixtrans-63.9-44.4170.3-78.6173.7-19.200112.1L826 Y828 I832 C833 E834L826-Q830 HydrophobicContact CD2-CG 4.12Å; L826-Q830 VanDerWaalsContact O-CB 3.28Å; L826-Q830 WeakPolarHBondContact O-CB 3.48Å; L826-Q830 VanDerWaalsContact O-CG 3.25Å; L826-Q830 WeakPolarHBondContact O-CG 3.32Å; L826-Q830 PolarHBondContact O-N 3.36Å; Y828-Q830 VanDerWaalsContact C-N 3.35Å; Q830-I832 VanDerWaalsContact C-N 3.31Å; Q830-I832 PolarHBondContact O-N 2.87Å; Q830-C833 PolarHBondContact O-N 3.3Å; Q830-E834 WeakPolarHBondContact O-CB 3.32Å; Q830-E834 WeakPolarHBondContact O-CG 3.21Å; Q830-E834 PolarHBondContact O-N 3.28Å
831Q88.2Confident85Confident98 Ų98106.7 Ų106.746%0.45852%0.516SS..Hα-helixtrans-64.5-36176.7-170.7179.113.500112.1C827 Y828 E834 L835C827-Q831 WeakPolarHBondContact O-CB 3.41Å; C827-Q831 PolarHBondContact O-N 2.84Å; Y828-Q831 PolarHBondContact O-N 3.35Å; Q831-E834 PolarHBondContact O-N 2.92Å; Q831-L835 HydrophobicContact CG-CD1 4.18Å; Q831-L835 WeakPolarHBondContact O-CB 3.32Å; Q831-L835 WeakPolarHBondContact O-CG 2.84Å; Q831-L835 PolarHBondContact O-N 3.46Å
832I88.3Confident83.1Confident86 Ų86110.9 Ų110.944%0.44153%0.528SS..Hα-helixtrans-65.6-51.4172.7-72.3163000109.5Y828 E829 Q830 E834 L835 E836Y828-I832 WeakPolarHBondContact O-CB 3.45Å; Y828-I832 WeakPolarHBondContact O-CD1 3.34Å; Y828-I832 WeakPolarHBondContact O-CG1 3.09Å; Y828-I832 PolarHBondContact O-N 3.44Å; E829-I832 PolarHBondContact O-N 2.9Å; Q830-I832 VanDerWaalsContact C-N 3.31Å; Q830-I832 PolarHBondContact O-N 2.87Å; I832-E834 VanDerWaalsContact C-N 3.27Å; I832-E834 PolarHBondContact O-N 3.29Å; I832-L835 CarbonylContact O-C 3.53Å; I832-L835 PolarHBondContact O-N 3.28Å; I832-L835 VanDerWaalsContact O-N 3.08Å; I832-E836 HydrophobicContact CG2-CG 4.18Å; I832-E836 WeakPolarHBondContact CG2-OE1 3.47Å; I832-E836 WeakPolarHBondContact O-CB 3.33Å; I832-E836 VanDerWaalsContact O-CG 3.31Å; I832-E836 WeakPolarHBondContact O-CG 3.4Å; I832-E836 PolarHBondContact O-N 2.96Å
833C88.5Confident81Confident74 Ų74112.3 Ų112.350%0.554%0.535SS..Hα-helixtrans-57.8-36.6175.1-71.80000112.9E829 Q830 Q837E829-C833 WeakPolarHBondContact O-CB 3.22Å; E829-C833 PolarHBondContact O-N 3.35Å; E829-C833 PolarHBondContact O-SG 3.49Å; Q830-C833 PolarHBondContact O-N 3.3Å; C833-Q837 WeakPolarHBondContact O-CB 3.45Å; C833-Q837 PolarHBondContact O-N 2.81Å
834E89.9Confident78.4Confident115 Ų115110.9 Ų110.954%0.53754%0.537SS..Hα-helixtrans-70.4-37.8174.9-79-179.3-171.800112.2Q830 Q831 I832 Q838Q830-E834 WeakPolarHBondContact O-CB 3.32Å; Q830-E834 WeakPolarHBondContact O-CG 3.21Å; Q830-E834 PolarHBondContact O-N 3.28Å; Q831-E834 PolarHBondContact O-N 2.92Å; I832-E834 VanDerWaalsContact C-N 3.27Å; I832-E834 PolarHBondContact O-N 3.29Å; E834-Q838 VanDerWaalsContact O-CB 3.27Å; E834-Q838 WeakPolarHBondContact O-CB 3.47Å; E834-Q838 WeakPolarHBondContact O-CG 3.16Å; E834-Q838 PolarHBondContact O-N 2.83Å; E834-Q838 PolarHBondContact O-NE2 2.86Å
835L81.9Confident76.3Confident88 Ų88112 Ų11246%0.46155%0.55SS.*Hα-helixtrans-72.4-41.1175.8-74.2168.7000111.7Q831 I832 Q838 L839Q831-L835 HydrophobicContact CG-CD1 4.18Å; Q831-L835 WeakPolarHBondContact O-CB 3.32Å; Q831-L835 WeakPolarHBondContact O-CG 2.84Å; Q831-L835 PolarHBondContact O-N 3.46Å; I832-L835 CarbonylContact O-C 3.53Å; I832-L835 PolarHBondContact O-N 3.28Å; I832-L835 VanDerWaalsContact O-N 3.08Å; L835-Q838 PolarHBondContact O-N 3.39Å; L835-L839 WeakPolarHBondContact O-CB 3.47Å; L835-L839 VanDerWaalsContact O-CG 3.27Å; L835-L839 WeakPolarHBondContact O-CG 3.27Å; L835-L839 PolarHBondContact O-N 3.05Å
836E81.3Confident73.9Confident113 Ų113112.7 Ų112.753%0.52857%0.572SS.*Hα-helixtrans-61.5-46.8171.7-72.5174.516400110.2I832 Q838 L839 E840I832-E836 HydrophobicContact CG2-CG 4.18Å; I832-E836 WeakPolarHBondContact CG2-OE1 3.47Å; I832-E836 WeakPolarHBondContact O-CB 3.33Å; I832-E836 VanDerWaalsContact O-CG 3.31Å; I832-E836 WeakPolarHBondContact O-CG 3.4Å; I832-E836 PolarHBondContact O-N 2.96Å; E836-Q838 VanDerWaalsContact C-N 3.33Å; E836-Q838 PolarHBondContact O-N 3.08Å; E836-L839 CarbonylContact O-C 3.6Å; E836-L839 WeakPolarHBondContact O-CB 3.48Å; E836-L839 PolarHBondContact O-N 3.25Å; E836-L839 VanDerWaalsContact O-N 3.16Å; E836-E840 WeakPolarHBondContact O-CB 3.38Å; E836-E840 PolarHBondContact O-N 3.14Å
837Q81.6Confident71.4Confident111 Ų111112.9 Ų112.952%0.51959%0.587SS.*Hα-helixtrans-67.5-28.9175.1-173.5171.410200112.8C833 Q841C833-Q837 WeakPolarHBondContact O-CB 3.45Å; C833-Q837 PolarHBondContact O-N 2.81Å; Q837-Q841 HydrophobicContact CG-CG 4.35Å; Q837-Q841 VanDerWaalsContact O-CB 3.22Å; Q837-Q841 WeakPolarHBondContact O-CB 3.49Å; Q837-Q841 WeakPolarHBondContact O-CG 3.39Å; Q837-Q841 PolarHBondContact O-N 2.93Å
838Q75.5Confident69Low105 Ų105111.6 Ų111.649%0.49158%0.582SS.*Hα-helixtrans-73.9-31.2171-78.9168.157.200112.7E834 L835 E836 R842E834-Q838 VanDerWaalsContact O-CB 3.27Å; E834-Q838 WeakPolarHBondContact O-CB 3.47Å; E834-Q838 WeakPolarHBondContact O-CG 3.16Å; E834-Q838 PolarHBondContact O-N 2.83Å; E834-Q838 PolarHBondContact O-NE2 2.86Å; L835-Q838 PolarHBondContact O-N 3.39Å; E836-Q838 VanDerWaalsContact C-N 3.33Å; E836-Q838 PolarHBondContact O-N 3.08Å; Q838-R842 WeakPolarHBondContact O-CB 3.32Å; Q838-R842 WeakPolarHBondContact O-CG 3.34Å; Q838-R842 PolarHBondContact O-N 3.38Å; Q838-R842 VanDerWaalsContact O-N 3.11Å
839L66Low66.6Low112 Ų112108.6 Ų108.659%0.58659%0.587SS**Hα-helixtrans-71.7-38.3170.5-72.2166.8000111.2L835 E836 R842 Q843L835-L839 WeakPolarHBondContact O-CB 3.47Å; L835-L839 VanDerWaalsContact O-CG 3.27Å; L835-L839 WeakPolarHBondContact O-CG 3.27Å; L835-L839 PolarHBondContact O-N 3.05Å; E836-L839 CarbonylContact O-C 3.6Å; E836-L839 WeakPolarHBondContact O-CB 3.48Å; E836-L839 PolarHBondContact O-N 3.25Å; E836-L839 VanDerWaalsContact O-N 3.16Å; L839-R842 WeakPolarHBondContact O-CB 3.29Å; L839-R842 PolarHBondContact O-N 3.36Å; L839-Q843 PolarHBondContact O-N 2.83Å
840E69.3Low64.3Low138 Ų138109.5 Ų109.565%0.64560%0.598SS**Hα-helixtrans-74.8-38.6178.4-164.7166.4-133.800111.7E836 R842 Q843E836-E840 WeakPolarHBondContact O-CB 3.38Å; E836-E840 PolarHBondContact O-N 3.14Å; E840-R842 PolarHBondContact O-N 3.33Å; E840-Q843 CarbonylContact O-C 3.57Å; E840-Q843 WeakPolarHBondContact O-CA 3.34Å; E840-Q843 WeakPolarHBondContact O-CB 3.42Å; E840-Q843 PolarHBondContact O-N 2.95Å
841Q61.3Low62.1Low146 Ų146108.5 Ų108.568%0.68260%0.6SS**Hα-helixtrans-68.1-20.7167.9-73.9178.925.500113.1Q837Q837-Q841 HydrophobicContact CG-CG 4.35Å; Q837-Q841 VanDerWaalsContact O-CB 3.22Å; Q837-Q841 WeakPolarHBondContact O-CB 3.49Å; Q837-Q841 WeakPolarHBondContact O-CG 3.39Å; Q837-Q841 PolarHBondContact O-N 2.93Å
842R52.2Low59.8Low216 Ų216107.4 Ų107.482%0.81561%0.607SS**THydrogen-bonded Turntrans-76.9-8.2167.1-87.9-177.9166.8-176.2-2113.3Q838 L839 E840Q838-R842 WeakPolarHBondContact O-CB 3.32Å; Q838-R842 WeakPolarHBondContact O-CG 3.34Å; Q838-R842 PolarHBondContact O-N 3.38Å; Q838-R842 VanDerWaalsContact O-N 3.11Å; L839-R842 WeakPolarHBondContact O-CB 3.29Å; L839-R842 PolarHBondContact O-N 3.36Å; E840-R842 PolarHBondContact O-N 3.33Å
843Q46.6Very low57.6Low144 Ų144109.9 Ų109.967%0.67362%0.617SS**SBendtrans-99.7122.3166.1-62.9-167.452.900110L839 E840L839-Q843 PolarHBondContact O-N 2.83Å; E840-Q843 CarbonylContact O-C 3.57Å; E840-Q843 WeakPolarHBondContact O-CA 3.34Å; E840-Q843 WeakPolarHBondContact O-CB 3.42Å; E840-Q843 PolarHBondContact O-N 2.95Å
844P39.6Very low55.5Low102 Ų102110.4 Ų110.466%0.66262%0.617SS**PPolyproline II helixtrans-64.2135.6174.6-21.533.5000111.2A846P844-A846 PolarHBondContact O-N 2.88Å
845P45.2Very low53.4Low117 Ų117107 Ų10776%0.7661%0.613SS**PPolyproline II helixtrans-72.4127.6-17227.7-35.1000112.9A847P845-A847 PolarHBondContact O-N 3.1Å
846A42.5Very low51.8Low103 Ų103106.2 Ų106.285%0.85162%0.615SS**SBendtrans54.7-15.7152.800000121.1P844P844-A846 PolarHBondContact O-N 2.88Å
847A38.8Very low50.3Low96 Ų96105.1 Ų105.179%0.79361%0.613SS**SBendtrans-88.8-7.7177.400000113.5P845P845-A847 PolarHBondContact O-N 3.1Å
848A38.5Very low49.1Very low42 Ų42102.7 Ų102.735%0.34761%0.611SS.*  trans-103.719.9-173.300000114.2T850 V851 A852A848-T850 PolarHBondContact O-N 2.76Å; A848-T850 VanDerWaalsContact O-N 3.13Å; A848-V851 HydrophobicContact CB-CB 4.45Å; A848-V851 PolarHBondContact O-N 3.11Å; A848-A852 PolarHBondContact O-N 2.67Å
849A40.8Very low48.5Very low81 Ų81105.9 Ų105.967%0.66962%0.619SS**Hα-helixtrans-57.9-26.3178.500000113.3V851A849-V851 VanDerWaalsContact C-N 3.34Å
850T42.6Very low48.2Very low106 Ų106104.7 Ų104.765%0.6561%0.612SS**Hα-helixtrans-83.8-0.1174.149.70000114.5A848 V854A848-T850 PolarHBondContact O-N 2.76Å; A848-T850 VanDerWaalsContact O-N 3.13Å; T850-V854 WeakPolarHBondContact O-CG2 3.49Å
851V44.7Very low48.3Very low86 Ų86101.5 Ų101.552%0.52160%0.604SS.*Hα-helixtrans-116.5-18.9-178.6-172.70000112A848 A849 E853 V854 G855A848-V851 HydrophobicContact CB-CB 4.45Å; A848-V851 PolarHBondContact O-N 3.11Å; A849-V851 VanDerWaalsContact C-N 3.34Å; V851-E853 VanDerWaalsContact C-N 3.29Å; V851-V854 CarbonylContact O-C 3.56Å; V851-V854 PolarHBondContact O-N 3.45Å; V851-G855 PolarHBondContact O-N 2.77Å
852A40.1Very low49.1Very low74 Ų74101 Ų10161%0.61260%0.599SS**Hα-helixtrans-62.1-39.1167.100000111.6A848 G855 S856A848-A852 PolarHBondContact O-N 2.67Å; A852-G855 PolarHBondContact O-N 2.9Å; A852-S856 PolarHBondContact O-N 3.03Å
853E41.9Very low49.8Very low139 Ų13992.4 Ų92.465%0.6557%0.572SS**Hα-helixtrans-61.6-50.9171.8-161.1165.3-128.900110.4V851 G855 S856 D857V851-E853 VanDerWaalsContact C-N 3.29Å; E853-G855 VanDerWaalsContact C-N 3.26Å; E853-G855 PolarHBondContact O-N 3.32Å; E853-S856 PolarHBondContact O-N 3.4Å; E853-S856 VanDerWaalsContact O-N 3.14Å; E853-D857 WeakPolarHBondContact O-CB 3.41Å; E853-D857 PolarHBondContact O-N 3.29Å
854V45.2Very low51.3Low84 Ų8490.3 Ų90.351%0.50956%0.562SS.*Hα-helixtrans-61.8-29175.5-179.40000113.2T850 V851 A858T850-V854 WeakPolarHBondContact O-CG2 3.49Å; V851-V854 CarbonylContact O-C 3.56Å; V851-V854 PolarHBondContact O-N 3.45Å; V854-A858 WeakPolarHBondContact O-CB 3.48Å; V854-A858 PolarHBondContact O-N 2.82Å
855G44.7Very low53.4Low43 Ų4391 Ų9144%0.44355%0.554SS.*Hα-helixtrans-71.6-42.2174.800000112.4V851 A852 E853 A858 W859V851-G855 PolarHBondContact O-N 2.77Å; A852-G855 PolarHBondContact O-N 2.9Å; E853-G855 VanDerWaalsContact C-N 3.26Å; E853-G855 PolarHBondContact O-N 3.32Å; G855-A858 PolarHBondContact O-N 3.48Å; G855-W859 PolarHBondContact O-N 2.96Å; G855-W859 VanDerWaalsContact O-N 3.12Å
856S49.6Very low55.2Low73 Ų7390.4 Ų90.451%0.5154%0.544SS..Hα-helixtrans-66.9-46.2172.5-155.50000110.7A852 E853 A858 W859 M860A852-S856 PolarHBondContact O-N 3.03Å; E853-S856 PolarHBondContact O-N 3.4Å; E853-S856 VanDerWaalsContact O-N 3.14Å; S856-A858 VanDerWaalsContact C-N 3.32Å; S856-A858 PolarHBondContact O-N 3.18Å; S856-W859 PolarHBondContact O-N 2.9Å; S856-W859 VanDerWaalsContact O-N 3.16Å; S856-M860 VanDerWaalsContact O-CB 3.32Å; S856-M860 WeakPolarHBondContact O-CB 3.25Å; S856-M860 VanDerWaalsContact O-CG 3.25Å; S856-M860 WeakPolarHBondContact O-CG 3.38Å; S856-M860 PolarHBondContact O-N 3.35Å
857D49.8Very low57.1Low90 Ų9091.6 Ų91.648%0.48153%0.533SS..Hα-helixtrans-62.2-33.9174.3-79.6-16.7000112.5E853 C861E853-D857 WeakPolarHBondContact O-CB 3.41Å; E853-D857 PolarHBondContact O-N 3.29Å; D857-C861 WeakPolarHBondContact O-CA 3.47Å; D857-C861 WeakPolarHBondContact O-CB 3.31Å; D857-C861 PolarHBondContact O-N 2.93Å; D857-C861 PolarHBondContact O-SG 3.24Å
858A56.7Low59.5Low59 Ų5990.1 Ų90.149%0.48851%0.509SS..Hα-helixtrans-71.3-35.1175.400000111.8V854 G855 S856 K862V854-A858 WeakPolarHBondContact O-CB 3.48Å; V854-A858 PolarHBondContact O-N 2.82Å; G855-A858 PolarHBondContact O-N 3.48Å; S856-A858 VanDerWaalsContact C-N 3.32Å; S856-A858 PolarHBondContact O-N 3.18Å; A858-K862 WeakPolarHBondContact O-CB 3.29Å; A858-K862 PolarHBondContact O-N 2.78Å
859W63Low61.9Low173 Ų17391.1 Ų91.166%0.65551%0.507SS*.Hα-helixtrans-72.8-44.5173-169.187.3000111.4G855 S856 K862 C863G855-W859 PolarHBondContact O-N 2.96Å; G855-W859 VanDerWaalsContact O-N 3.12Å; S856-W859 PolarHBondContact O-N 2.9Å; S856-W859 VanDerWaalsContact O-N 3.16Å; W859-K862 CarbonylContact O-C 3.34Å; W859-K862 WeakPolarHBondContact O-CA 3.09Å; W859-K862 WeakPolarHBondContact O-CB 3.18Å; W859-K862 PolarHBondContact O-N 3.24Å; W859-K862 VanDerWaalsContact O-N 3.1Å; W859-C863 PolarHBondContact O-N 3.47Å; W859-C863 PolarHBondContact O-SG 3.13Å
860M59.1Low64.2Low87 Ų8793.3 Ų93.343%0.42951%0.507SS..Hα-helixtrans-61.7-45.5174.2-72.3-75-80.600111.8S856 K862 C863 Q864S856-M860 VanDerWaalsContact O-CB 3.32Å; S856-M860 WeakPolarHBondContact O-CB 3.25Å; S856-M860 VanDerWaalsContact O-CG 3.25Å; S856-M860 WeakPolarHBondContact O-CG 3.38Å; S856-M860 PolarHBondContact O-N 3.35Å; M860-K862 VanDerWaalsContact C-N 3.27Å; M860-K862 PolarHBondContact O-N 3.11Å; M860-C863 PolarHBondContact O-N 3.15Å; M860-Q864 VanDerWaalsContact O-CB 3.31Å; M860-Q864 WeakPolarHBondContact O-CB 3.48Å; M860-Q864 VanDerWaalsContact O-CG 3.22Å; M860-Q864 WeakPolarHBondContact O-CG 3.39Å; M860-Q864 PolarHBondContact O-N 2.8Å
861C71.9Confident66.5Low70 Ų7094.6 Ų94.647%0.47350%0.499SS..Hα-helixtrans-63.6-31.8172.3-73.40000111.8D857 F865D857-C861 WeakPolarHBondContact O-CA 3.47Å; D857-C861 WeakPolarHBondContact O-CB 3.31Å; D857-C861 PolarHBondContact O-N 2.93Å; D857-C861 PolarHBondContact O-SG 3.24Å; C861-F865 WeakPolarHBondContact O-CA 3.34Å; C861-F865 WeakPolarHBondContact O-CB 3.38Å; C861-F865 PolarHBondContact O-N 2.71Å
862K76.9Confident68.8Low137 Ų13794.8 Ų94.860%0.59649%0.491SS*.Hα-helixtrans-72.9-39.3174.5-171.5174.6-177.7179.90111.7A858 W859 M860 F865 L866A858-K862 WeakPolarHBondContact O-CB 3.29Å; A858-K862 PolarHBondContact O-N 2.78Å; W859-K862 CarbonylContact O-C 3.34Å; W859-K862 WeakPolarHBondContact O-CA 3.09Å; W859-K862 WeakPolarHBondContact O-CB 3.18Å; W859-K862 PolarHBondContact O-N 3.24Å; W859-K862 VanDerWaalsContact O-N 3.1Å; M860-K862 VanDerWaalsContact C-N 3.27Å; M860-K862 PolarHBondContact O-N 3.11Å; K862-F865 PolarHBondContact O-N 3.24Å; K862-L866 HydrophobicContact CG-CD1 4.29Å; K862-L866 WeakPolarHBondContact O-CB 3.47Å; K862-L866 WeakPolarHBondContact O-CG 3.37Å; K862-L866 PolarHBondContact O-N 3.06Å
863C66.9Low71.3Confident34 Ų3494.2 Ų94.223%0.2348%0.479CS..Hα-helixtrans-64-51.2171.4-73.90000111W859 M860 F865 L866 E867W859-C863 PolarHBondContact O-N 3.47Å; W859-C863 PolarHBondContact O-SG 3.13Å; M860-C863 PolarHBondContact O-N 3.15Å; C863-F865 VanDerWaalsContact C-N 3.32Å; C863-F865 PolarHBondContact O-N 3.37Å; C863-L866 CarbonylContact O-C 3.54Å; C863-L866 PolarHBondContact O-N 3.49Å; C863-L866 VanDerWaalsContact O-N 3.08Å; C863-E867 WeakPolarHBondContact O-CB 3.36Å; C863-E867 WeakPolarHBondContact O-CG 3.4Å; C863-E867 PolarHBondContact O-N 3.37Å
864Q78.6Confident73.7Confident100 Ų10093.2 Ų93.247%0.46748%0.475SS..Hα-helixtrans-58.8-40.2174.3-70.4169.713.100111.9M860 E867 E868M860-Q864 VanDerWaalsContact O-CB 3.31Å; M860-Q864 WeakPolarHBondContact O-CB 3.48Å; M860-Q864 VanDerWaalsContact O-CG 3.22Å; M860-Q864 WeakPolarHBondContact O-CG 3.39Å; M860-Q864 PolarHBondContact O-N 2.8Å; Q864-E867 PolarHBondContact O-N 2.74Å; Q864-E868 WeakPolarHBondContact O-CB 3.44Å; Q864-E868 WeakPolarHBondContact O-CG 3.48Å; Q864-E868 PolarHBondContact O-N 3.4Å
865F84.1Confident76Confident116 Ų11692.8 Ų92.851%0.50947%0.47SS..Hα-helixtrans-66.4-37.5174.7178.9-89.9000112.3C861 K862 C863 E869C861-F865 WeakPolarHBondContact O-CA 3.34Å; C861-F865 WeakPolarHBondContact O-CB 3.38Å; C861-F865 PolarHBondContact O-N 2.71Å; K862-F865 PolarHBondContact O-N 3.24Å; C863-F865 VanDerWaalsContact C-N 3.32Å; C863-F865 PolarHBondContact O-N 3.37Å; F865-E869 HydrophobicContact CE1-CG 3.95Å; F865-E869 HydrophobicContact CZ-CG 4Å; F865-E869 WeakPolarHBondContact O-CB 3.31Å; F865-E869 PolarHBondContact O-N 3.25Å
866L82.3Confident78.3Confident105 Ų10596.7 Ų96.755%0.5547%0.471SS..Hα-helixtrans-71-37.7174.9-74.1168.5000111.9K862 C863 E869 L870K862-L866 HydrophobicContact CG-CD1 4.29Å; K862-L866 WeakPolarHBondContact O-CB 3.47Å; K862-L866 WeakPolarHBondContact O-CG 3.37Å; K862-L866 PolarHBondContact O-N 3.06Å; C863-L866 CarbonylContact O-C 3.54Å; C863-L866 PolarHBondContact O-N 3.49Å; C863-L866 VanDerWaalsContact O-N 3.08Å; L866-E869 PolarHBondContact O-N 2.81Å; L866-L870 VanDerWaalsContact O-CB 3.26Å; L866-L870 WeakPolarHBondContact O-CB 3.19Å; L866-L870 PolarHBondContact O-N 3.09Å
867E82.3Confident80.3Confident129 Ų12997.5 Ų97.560%0.60347%0.467SS*.Hα-helixtrans-66.9-40.4171.9-72.8170.8-17500111.5C863 Q864 L870 R871C863-E867 WeakPolarHBondContact O-CB 3.36Å; C863-E867 WeakPolarHBondContact O-CG 3.4Å; C863-E867 PolarHBondContact O-N 3.37Å; Q864-E867 PolarHBondContact O-N 2.74Å; E867-L870 PolarHBondContact O-N 3.06Å; E867-R871 VanDerWaalsContact O-CB 3.29Å; E867-R871 WeakPolarHBondContact O-CB 3.33Å; E867-R871 PolarHBondContact O-N 3.43Å
868E90.4Very high82.4Confident65 Ų6597 Ų9730%0.30446%0.461SS..Hα-helixtrans-65.5-42.7172.6-76-120.8133.500111.4Q864 R871 R872Q864-E868 WeakPolarHBondContact O-CB 3.44Å; Q864-E868 WeakPolarHBondContact O-CG 3.48Å; Q864-E868 PolarHBondContact O-N 3.4Å; E868-R871 PolarHBondContact O-N 2.82Å; E868-R871 IonicContact OE1-CZ 3.39Å; E868-R871 IonicContact OE1-NH1 2.68Å; E868-R871 PolarHBondContact OE1-NH1 2.88Å; E868-R871 IonicContact OE1-NH2 3.12Å; E868-R871 PolarHBondContact OE1-NH2 3.03Å; E868-R872 VanDerWaalsContact O-CB 3.32Å; E868-R872 WeakPolarHBondContact O-CB 3.41Å; E868-R872 VanDerWaalsContact O-CD 3.28Å; E868-R872 WeakPolarHBondContact O-CD 3.44Å; E868-R872 WeakPolarHBondContact O-CG 3.21Å; E868-R872 PolarHBondContact O-N 3.39Å; E868-R872 IonicContact OE2-CZ 3.56Å; E868-R872 IonicContact OE2-NE 3.13Å; E868-R872 IonicContact OE2-NH2 3.27Å; E868-R872 PolarHBondContact OE2-NH2 2.76Å
869E88.1Confident84.2Confident62 Ų6298.5 Ų98.529%0.2946%0.458SS..Hα-helixtrans-68.6-35.8173.2-86-58.413100111.9F865 L866 R871 R872 V873 R876F865-E869 HydrophobicContact CE1-CG 3.95Å; F865-E869 HydrophobicContact CZ-CG 4Å; F865-E869 WeakPolarHBondContact O-CB 3.31Å; F865-E869 PolarHBondContact O-N 3.25Å; L866-E869 PolarHBondContact O-N 2.81Å; E869-R871 VanDerWaalsContact C-N 3.33Å; E869-R871 PolarHBondContact O-N 3.44Å; E869-R872 CarbonylContact O-C 3.55Å; E869-R872 PolarHBondContact O-N 3.18Å; E869-R872 WeakPolarHBondContact OE1-CD 3.17Å; E869-R872 IonicContact OE1-CZ 3.2Å; E869-R872 IonicContact OE1-NE 3.8Å; E869-R872 IonicContact OE1-NH1 2.68Å; E869-R872 PolarHBondContact OE1-NH1 3.46Å; E869-V873 WeakPolarHBondContact O-CB 3.45Å; E869-V873 VanDerWaalsContact O-CG2 3.25Å; E869-V873 WeakPolarHBondContact O-CG2 3.42Å; E869-V873 PolarHBondContact O-N 2.7Å; E869-R876 IonicContact OE2-CZ 3.22Å; E869-R876 IonicContact OE2-NH2 2.7Å; E869-R876 PolarHBondContact OE2-NH2 2.98Å
870L89.1Confident85.5Confident128 Ų12895.1 Ų95.167%0.6745%0.448SS*.Hα-helixtrans-62.5-42.3172-160.679000110.8L866 E867 V873 H874L866-L870 VanDerWaalsContact O-CB 3.26Å; L866-L870 WeakPolarHBondContact O-CB 3.19Å; L866-L870 PolarHBondContact O-N 3.09Å; E867-L870 PolarHBondContact O-N 3.06Å; L870-V873 PolarHBondContact O-N 3.16Å; L870-H874 WeakPolarHBondContact O-CB 3.39Å; L870-H874 PolarHBondContact O-N 3.49Å
871R91.8Very high87.1Confident132 Ų13295.1 Ų95.150%0.49845%0.45SS..Hα-helixtrans-63.9-46.9173.4-164.617776.9-134.7-2.4111E867 E868 E869 V873 H874 D875E867-R871 VanDerWaalsContact O-CB 3.29Å; E867-R871 WeakPolarHBondContact O-CB 3.33Å; E867-R871 PolarHBondContact O-N 3.43Å; E868-R871 PolarHBondContact O-N 2.82Å; E868-R871 IonicContact OE1-CZ 3.39Å; E868-R871 IonicContact OE1-NH1 2.68Å; E868-R871 PolarHBondContact OE1-NH1 2.88Å; E868-R871 IonicContact OE1-NH2 3.12Å; E868-R871 PolarHBondContact OE1-NH2 3.03Å; E869-R871 VanDerWaalsContact C-N 3.33Å; E869-R871 PolarHBondContact O-N 3.44Å; R871-V873 VanDerWaalsContact C-N 3.31Å; R871-V873 PolarHBondContact O-N 2.97Å; R871-H874 CarbonylContact O-C 3.58Å; R871-H874 WeakPolarHBondContact O-CB 3.49Å; R871-H874 PolarHBondContact O-N 3.18Å; R871-H874 VanDerWaalsContact O-N 3.14Å; R871-D875 WeakPolarHBondContact O-CB 3.27Å; R871-D875 PolarHBondContact O-N 3.45Å
872R92.6Very high88.1Confident90 Ų9096.2 Ų96.234%0.3445%0.447SS..Hα-helixtrans-65.7-29.6175.6-66.2158.3-168.2-176.96.6112.4E868 E869 R876E868-R872 VanDerWaalsContact O-CB 3.32Å; E868-R872 WeakPolarHBondContact O-CB 3.41Å; E868-R872 VanDerWaalsContact O-CD 3.28Å; E868-R872 WeakPolarHBondContact O-CD 3.44Å; E868-R872 WeakPolarHBondContact O-CG 3.21Å; E868-R872 PolarHBondContact O-N 3.39Å; E868-R872 IonicContact OE2-CZ 3.56Å; E868-R872 IonicContact OE2-NE 3.13Å; E868-R872 IonicContact OE2-NH2 3.27Å; E868-R872 PolarHBondContact OE2-NH2 2.76Å; E869-R872 CarbonylContact O-C 3.55Å; E869-R872 PolarHBondContact O-N 3.18Å; E869-R872 WeakPolarHBondContact OE1-CD 3.17Å; E869-R872 IonicContact OE1-CZ 3.2Å; E869-R872 IonicContact OE1-NE 3.8Å; E869-R872 IonicContact OE1-NH1 2.68Å; E869-R872 PolarHBondContact OE1-NH1 3.46Å; R872-R876 WeakPolarHBondContact O-CB 3.47Å; R872-R876 WeakPolarHBondContact O-CG 3.49Å; R872-R876 PolarHBondContact O-N 3.44Å; R872-R876 PolarHBondContact O-NE 3.06Å
873V91.6Very high89Confident62 Ų6297 Ų9738%0.37645%0.446SS..Hα-helixtrans-68.3-49.6169.8165.50000109E869 L870 R871 D875 R876 H877E869-V873 WeakPolarHBondContact O-CB 3.45Å; E869-V873 VanDerWaalsContact O-CG2 3.25Å; E869-V873 WeakPolarHBondContact O-CG2 3.42Å; E869-V873 PolarHBondContact O-N 2.7Å; L870-V873 PolarHBondContact O-N 3.16Å; R871-V873 VanDerWaalsContact C-N 3.31Å; R871-V873 PolarHBondContact O-N 2.97Å; V873-D875 PolarHBondContact O-N 2.78Å; V873-R876 VanDerWaalsContact CG2-NH2 3.26Å; V873-R876 WeakPolarHBondContact O-CB 3.22Å; V873-R876 PolarHBondContact O-N 2.82Å; V873-H877 PolarHBondContact O-CD2 3.3Å; V873-H877 VanDerWaalsContact O-CD2 3.3Å; V873-H877 PolarHBondContact O-N 3.46Å
874H92.8Very high90.2Very high118 Ų11899.8 Ų99.855%0.54646%0.458SS..Hα-helixtrans-58.5-47.1176.9-171.686.7000111.6L870 R871 R876 H877 Q878L870-H874 WeakPolarHBondContact O-CB 3.39Å; L870-H874 PolarHBondContact O-N 3.49Å; R871-H874 CarbonylContact O-C 3.58Å; R871-H874 WeakPolarHBondContact O-CB 3.49Å; R871-H874 PolarHBondContact O-N 3.18Å; R871-H874 VanDerWaalsContact O-N 3.14Å; H874-R876 PolarHBondContact O-N 2.99Å; H874-H877 CarbonylContact O-C 3.52Å; H874-H877 PolarHBondContact O-N 2.85Å; H874-H877 VanDerWaalsContact O-N 3.11Å; H874-Q878 WeakPolarHBondContact O-CB 3.32Å; H874-Q878 PolarHBondContact O-N 3.34Å
875D93.8Very high90.8Very high76 Ų76100.7 Ų100.741%0.40646%0.462SS..Hα-helixtrans-61.7-42.4175.2-67-30.2000111.6R871 V873 H877 Q879R871-D875 WeakPolarHBondContact O-CB 3.27Å; R871-D875 PolarHBondContact O-N 3.45Å; V873-D875 PolarHBondContact O-N 2.78Å; D875-H877 VanDerWaalsContact C-N 3.29Å; D875-H877 PolarHBondContact O-N 3.24Å; D875-Q879 WeakPolarHBondContact O-CB 3.44Å; D875-Q879 PolarHBondContact O-N 3.15Å
876R94.1Very high91.2Very high125 Ų125100 Ų10047%0.47246%0.463SS..Hα-helixtrans-62-35.3173.2-83.9176.3-71.6-178.7-12.5112.2E869 R872 V873 H874 K880E869-R876 IonicContact OE2-CZ 3.22Å; E869-R876 IonicContact OE2-NH2 2.7Å; E869-R876 PolarHBondContact OE2-NH2 2.98Å; R872-R876 WeakPolarHBondContact O-CB 3.47Å; R872-R876 WeakPolarHBondContact O-CG 3.49Å; R872-R876 PolarHBondContact O-N 3.44Å; R872-R876 PolarHBondContact O-NE 3.06Å; V873-R876 VanDerWaalsContact CG2-NH2 3.26Å; V873-R876 WeakPolarHBondContact O-CB 3.22Å; V873-R876 PolarHBondContact O-N 2.82Å; H874-R876 PolarHBondContact O-N 2.99Å; R876-K880 WeakPolarHBondContact O-CD 3.45Å; R876-K880 WeakPolarHBondContact O-CG 3.42Å; R876-K880 PolarHBondContact O-N 3.27Å; R876-K880 VanDerWaalsContact O-N 3.09Å
877H90.1Very high91.8Very high90 Ų90100.4 Ų100.442%0.41746%0.463SS..Hα-helixtrans-73.6-53.7175.3-86.2-97.8000111.1V873 H874 D875 Q879 K880 D881V873-H877 PolarHBondContact O-CD2 3.3Å; V873-H877 VanDerWaalsContact O-CD2 3.3Å; V873-H877 PolarHBondContact O-N 3.46Å; H874-H877 CarbonylContact O-C 3.52Å; H874-H877 PolarHBondContact O-N 2.85Å; H874-H877 VanDerWaalsContact O-N 3.11Å; D875-H877 VanDerWaalsContact C-N 3.29Å; D875-H877 PolarHBondContact O-N 3.24Å; H877-Q879 PolarHBondContact O-N 2.77Å; H877-Q879 VanDerWaalsContact O-N 3.09Å; H877-K880 PolarHBondContact NE2-NZ 2.98Å; H877-K880 CarbonylContact O-C 3.54Å; H877-K880 WeakPolarHBondContact O-CA 3.47Å; H877-K880 WeakPolarHBondContact O-CB 3.36Å; H877-K880 PolarHBondContact O-N 3.27Å; H877-D881 PolarHBondContact O-N 2.86Å
878Q93.8Very high92.1Very high79 Ų7998.6 Ų98.637%0.36946%0.456SS..Hα-helixtrans-55.6-33.5176.3-158.8-167.3100.800112.5H874 K882H874-Q878 WeakPolarHBondContact O-CB 3.32Å; H874-Q878 PolarHBondContact O-N 3.34Å; Q878-K882 WeakPolarHBondContact O-CB 3.38Å; Q878-K882 WeakPolarHBondContact O-CD 3.18Å; Q878-K882 VanDerWaalsContact O-CG 3.22Å; Q878-K882 WeakPolarHBondContact O-CG 3.19Å; Q878-K882 PolarHBondContact O-N 3.42Å; Q878-K882 VanDerWaalsContact OE1-CE 3.28Å
879Q94.4Very high92.2Very high90 Ų9099.8 Ų99.842%0.42146%0.462SS..Hα-helixtrans-80.1-26.3174.7-159.267.910.100113.5D875 H877 R883D875-Q879 WeakPolarHBondContact O-CB 3.44Å; D875-Q879 PolarHBondContact O-N 3.15Å; H877-Q879 PolarHBondContact O-N 2.77Å; H877-Q879 VanDerWaalsContact O-N 3.09Å; Q879-R883 WeakPolarHBondContact O-CB 3.38Å; Q879-R883 WeakPolarHBondContact O-CD 3.37Å; Q879-R883 WeakPolarHBondContact O-CG 3.46Å; Q879-R883 PolarHBondContact O-N 3.46Å; Q879-R883 VanDerWaalsContact O-N 3.13Å
880K92.1Very high92.5Very high103 Ų10399.4 Ų99.445%0.44847%0.466SS..Hα-helixtrans-67-45.3164.5-74.1163.6-171.5173.50110R876 H877 R883 L884R876-K880 WeakPolarHBondContact O-CD 3.45Å; R876-K880 WeakPolarHBondContact O-CG 3.42Å; R876-K880 PolarHBondContact O-N 3.27Å; R876-K880 VanDerWaalsContact O-N 3.09Å; H877-K880 PolarHBondContact NE2-NZ 2.98Å; H877-K880 CarbonylContact O-C 3.54Å; H877-K880 WeakPolarHBondContact O-CA 3.47Å; H877-K880 WeakPolarHBondContact O-CB 3.36Å; H877-K880 PolarHBondContact O-N 3.27Å; K880-R883 CarbonylContact O-C 3.58Å; K880-R883 WeakPolarHBondContact O-CB 3.5Å; K880-R883 PolarHBondContact O-N 3.35Å; K880-R883 VanDerWaalsContact O-N 3.15Å; K880-L884 WeakPolarHBondContact O-CB 3.44Å; K880-L884 VanDerWaalsContact O-CG 3.32Å; K880-L884 WeakPolarHBondContact O-CG 3.39Å; K880-L884 PolarHBondContact O-N 2.88Å
881D91.1Very high92.3Very high87 Ų8798.4 Ų98.447%0.46546%0.461SS..Hα-helixtrans-64.3-46.2-177.2-57.6-28.9000110.5H877 R883 L884 Q885H877-D881 PolarHBondContact O-N 2.86Å; D881-R883 PolarHBondContact O-N 2.95Å; D881-L884 PolarHBondContact O-N 3.3Å; D881-Q885 WeakPolarHBondContact O-CB 3.48Å; D881-Q885 PolarHBondContact O-N 2.64Å
882K94.2Very high91.7Very high93 Ų9397 Ų9740%0.40446%0.46SS..Hα-helixtrans-54.7-50.4168.5-73.5165.1-170.3165.70111.9Q878 L884 Q885 D886Q878-K882 WeakPolarHBondContact O-CB 3.38Å; Q878-K882 WeakPolarHBondContact O-CD 3.18Å; Q878-K882 VanDerWaalsContact O-CG 3.22Å; Q878-K882 WeakPolarHBondContact O-CG 3.19Å; Q878-K882 PolarHBondContact O-N 3.42Å; Q878-K882 VanDerWaalsContact OE1-CE 3.28Å; K882-L884 VanDerWaalsContact C-N 3.32Å; K882-L884 PolarHBondContact O-N 3.01Å; K882-Q885 CarbonylContact O-C 3.56Å; K882-Q885 PolarHBondContact O-N 3.35Å; K882-Q885 VanDerWaalsContact O-N 3.11Å; K882-D886 WeakPolarHBondContact O-CB 3.47Å; K882-D886 PolarHBondContact O-N 3.23Å
883R95.1Very high91.1Very high154 Ų15497.7 Ų97.758%0.58147%0.467SS*.Hα-helixtrans-61.9-35.7178.4-76.4169.3178.6-176.31.8113.3Q879 K880 D881 Q887Q879-R883 WeakPolarHBondContact O-CB 3.38Å; Q879-R883 WeakPolarHBondContact O-CD 3.37Å; Q879-R883 WeakPolarHBondContact O-CG 3.46Å; Q879-R883 PolarHBondContact O-N 3.46Å; Q879-R883 VanDerWaalsContact O-N 3.13Å; K880-R883 CarbonylContact O-C 3.58Å; K880-R883 WeakPolarHBondContact O-CB 3.5Å; K880-R883 PolarHBondContact O-N 3.35Å; K880-R883 VanDerWaalsContact O-N 3.15Å; D881-R883 PolarHBondContact O-N 2.95Å; R883-Q887 WeakPolarHBondContact O-CB 3.23Å; R883-Q887 WeakPolarHBondContact O-CG 3.2Å; R883-Q887 PolarHBondContact O-N 3.47Å
884L91.9Very high90.6Very high92 Ų9298.3 Ų98.348%0.48247%0.466SS..Hα-helixtrans-70.6-38175.1-73.2169.7000110.6K880 D881 K882 Q887 I888K880-L884 WeakPolarHBondContact O-CB 3.44Å; K880-L884 VanDerWaalsContact O-CG 3.32Å; K880-L884 WeakPolarHBondContact O-CG 3.39Å; K880-L884 PolarHBondContact O-N 2.88Å; D881-L884 PolarHBondContact O-N 3.3Å; K882-L884 VanDerWaalsContact C-N 3.32Å; K882-L884 PolarHBondContact O-N 3.01Å; L884-Q887 PolarHBondContact O-N 3.13Å; L884-I888 WeakPolarHBondContact O-CB 3.2Å; L884-I888 WeakPolarHBondContact O-CD1 3.13Å; L884-I888 WeakPolarHBondContact O-CG1 3.37Å; L884-I888 PolarHBondContact O-N 3.38Å
885Q91.9Very high89.6Confident118 Ų11899 Ų9955%0.55147%0.473SS*.Hα-helixtrans-69.3-43.7175.3-167.6159-17.200111.7D881 K882 Q887 I888 E889D881-Q885 WeakPolarHBondContact O-CB 3.48Å; D881-Q885 PolarHBondContact O-N 2.64Å; K882-Q885 CarbonylContact O-C 3.56Å; K882-Q885 PolarHBondContact O-N 3.35Å; K882-Q885 VanDerWaalsContact O-N 3.11Å; Q885-Q887 VanDerWaalsContact C-N 3.27Å; Q885-Q887 PolarHBondContact O-N 2.84Å; Q885-I888 PolarHBondContact O-N 3.38Å; Q885-I888 VanDerWaalsContact O-N 3.14Å; Q885-E889 WeakPolarHBondContact O-CB 3.44Å; Q885-E889 WeakPolarHBondContact O-CG 3.31Å; Q885-E889 PolarHBondContact O-N 2.98Å
886D92.6Very high88.4Confident101 Ų101102.6 Ų102.654%0.5449%0.485SS..Hα-helixtrans-56.9-39.8169.6-64.2-33000111.3K882 S890K882-D886 WeakPolarHBondContact O-CB 3.47Å; K882-D886 PolarHBondContact O-N 3.23Å; D886-S890 WeakPolarHBondContact O-CB 3.16Å; D886-S890 PolarHBondContact O-N 3.44Å
887Q94.3Very high86.9Confident114 Ų114103.8 Ų103.853%0.53350%0.495SS..Hα-helixtrans-69.5-40.9174.8-78.6172.518.200112.2R883 L884 Q885 S890 L891R883-Q887 WeakPolarHBondContact O-CB 3.23Å; R883-Q887 WeakPolarHBondContact O-CG 3.2Å; R883-Q887 PolarHBondContact O-N 3.47Å; L884-Q887 PolarHBondContact O-N 3.13Å; Q885-Q887 VanDerWaalsContact C-N 3.27Å; Q885-Q887 PolarHBondContact O-N 2.84Å; Q887-S890 PolarHBondContact O-N 2.9Å; Q887-L891 VanDerWaalsContact O-CB 3.25Å; Q887-L891 WeakPolarHBondContact O-CB 3.39Å; Q887-L891 WeakPolarHBondContact O-CG 3.48Å; Q887-L891 PolarHBondContact O-N 3.38Å
888I88.9Confident85.1Confident92 Ų92106.4 Ų106.447%0.47251%0.506SS..Hα-helixtrans-63.9-45.4175.2-73.1162.1000110L884 Q885 L891 Q892L884-I888 WeakPolarHBondContact O-CB 3.2Å; L884-I888 WeakPolarHBondContact O-CD1 3.13Å; L884-I888 WeakPolarHBondContact O-CG1 3.37Å; L884-I888 PolarHBondContact O-N 3.38Å; Q885-I888 PolarHBondContact O-N 3.38Å; Q885-I888 VanDerWaalsContact O-N 3.14Å; I888-L891 PolarHBondContact O-N 2.84Å; I888-Q892 HydrophobicContact CG2-CG 4.49Å; I888-Q892 WeakPolarHBondContact O-CB 3.33Å; I888-Q892 VanDerWaalsContact O-CG 3.25Å; I888-Q892 WeakPolarHBondContact O-CG 3.34Å; I888-Q892 PolarHBondContact O-N 2.93Å
889E92.8Very high82.7Confident90 Ų90105 Ų10542%0.42151%0.507SS..Hα-helixtrans-66.3-42.5176.3-72.6-171.1-152.900111.8Q885 L891 Q892 Q893Q885-E889 WeakPolarHBondContact O-CB 3.44Å; Q885-E889 WeakPolarHBondContact O-CG 3.31Å; Q885-E889 PolarHBondContact O-N 2.98Å; E889-L891 VanDerWaalsContact C-N 3.34Å; E889-L891 PolarHBondContact O-N 3.23Å; E889-Q892 PolarHBondContact O-N 3.35Å; E889-Q893 WeakPolarHBondContact O-CB 3.49Å; E889-Q893 WeakPolarHBondContact O-CG 3.37Å; E889-Q893 PolarHBondContact O-N 2.95Å
890S92.8Very high80.5Confident54 Ų54106.2 Ų106.238%0.37851%0.513SS..Hα-helixtrans-61.9-39.9173.2-178.50000112D886 Q887 Q894D886-S890 WeakPolarHBondContact O-CB 3.16Å; D886-S890 PolarHBondContact O-N 3.44Å; Q887-S890 PolarHBondContact O-N 2.9Å; S890-Q894 VanDerWaalsContact O-CB 3.26Å; S890-Q894 WeakPolarHBondContact O-CB 3.47Å; S890-Q894 VanDerWaalsContact O-CG 3.24Å; S890-Q894 WeakPolarHBondContact O-CG 3.39Å; S890-Q894 PolarHBondContact O-N 2.83Å
891L85.6Confident78.7Confident107 Ų107106 Ų10656%0.5652%0.522SS*.Hα-helixtrans-68.6-41174.4-74.8169.7000111.7Q887 I888 E889 Q894 L895Q887-L891 VanDerWaalsContact O-CB 3.25Å; Q887-L891 WeakPolarHBondContact O-CB 3.39Å; Q887-L891 WeakPolarHBondContact O-CG 3.48Å; Q887-L891 PolarHBondContact O-N 3.38Å; I888-L891 PolarHBondContact O-N 2.84Å; E889-L891 VanDerWaalsContact C-N 3.34Å; E889-L891 PolarHBondContact O-N 3.23Å; L891-Q894 CarbonylContact O-C 3.58Å; L891-Q894 PolarHBondContact O-N 2.83Å; L891-L895 VanDerWaalsContact O-CB 3.31Å; L891-L895 WeakPolarHBondContact O-CB 3.5Å; L891-L895 PolarHBondContact O-N 3.3Å
892Q79.1Confident76.9Confident103 Ų103107.7 Ų107.748%0.48153%0.527SS..Hα-helixtrans-64.5-41.5174.3-74.7178.724.700112.1I888 E889 L895 K896I888-Q892 HydrophobicContact CG2-CG 4.49Å; I888-Q892 WeakPolarHBondContact O-CB 3.33Å; I888-Q892 VanDerWaalsContact O-CG 3.25Å; I888-Q892 WeakPolarHBondContact O-CG 3.34Å; I888-Q892 PolarHBondContact O-N 2.93Å; E889-Q892 PolarHBondContact O-N 3.35Å; Q892-L895 PolarHBondContact O-N 3.23Å; Q892-K896 WeakPolarHBondContact O-CB 3.22Å; Q892-K896 WeakPolarHBondContact O-CG 3.32Å; Q892-K896 PolarHBondContact O-N 2.9Å
893Q81.3Confident75Confident103 Ų103108.3 Ų108.348%0.48153%0.531SS..Hα-helixtrans-65.5-45173.9-71.6173.531.400110.4E889 L895 K896 H897E889-Q893 WeakPolarHBondContact O-CB 3.49Å; E889-Q893 WeakPolarHBondContact O-CG 3.37Å; E889-Q893 PolarHBondContact O-N 2.95Å; Q893-L895 VanDerWaalsContact C-N 3.25Å; Q893-L895 PolarHBondContact O-N 3.39Å; Q893-K896 CarbonylContact O-C 3.56Å; Q893-K896 PolarHBondContact O-N 3.3Å; Q893-H897 WeakPolarHBondContact O-CB 3.39Å; Q893-H897 PolarHBondContact O-CD2 2.83Å; Q893-H897 PolarHBondContact O-N 2.86Å
894Q79.3Confident73.3Confident76 Ų76106.9 Ų106.936%0.35553%0.531SS..Hα-helixtrans-60.2-34172.1-79.5-176.255.400112.5S890 L891 H897 K898S890-Q894 VanDerWaalsContact O-CB 3.26Å; S890-Q894 WeakPolarHBondContact O-CB 3.47Å; S890-Q894 VanDerWaalsContact O-CG 3.24Å; S890-Q894 WeakPolarHBondContact O-CG 3.39Å; S890-Q894 PolarHBondContact O-N 2.83Å; L891-Q894 CarbonylContact O-C 3.58Å; L891-Q894 PolarHBondContact O-N 2.83Å; Q894-H897 PolarHBondContact O-N 2.85Å; Q894-K898 HydrophobicContact CB-CD 4.48Å; Q894-K898 WeakPolarHBondContact O-CB 3.32Å; Q894-K898 WeakPolarHBondContact O-CD 3.46Å; Q894-K898 WeakPolarHBondContact O-CG 3.39Å; Q894-K898 PolarHBondContact O-N 2.8Å
895L73.4Confident71.9Confident132 Ų132108.7 Ų108.769%0.69154%0.537SS*.Hα-helixtrans-73.4-40.1177-150.6152.2000110.7L891 Q892 Q893 H897 K898 A899L891-L895 VanDerWaalsContact O-CB 3.31Å; L891-L895 WeakPolarHBondContact O-CB 3.5Å; L891-L895 PolarHBondContact O-N 3.3Å; Q892-L895 PolarHBondContact O-N 3.23Å; Q893-L895 VanDerWaalsContact C-N 3.25Å; Q893-L895 PolarHBondContact O-N 3.39Å; L895-H897 VanDerWaalsContact C-N 3.3Å; L895-H897 PolarHBondContact O-N 3.43Å; L895-K898 PolarHBondContact O-N 3.47Å; L895-A899 PolarHBondContact O-N 2.94Å
896K68.5Low70.7Confident152 Ų152104.9 Ų104.966%0.66153%0.526SS*.Hα-helixtrans-62.9-30169.7-73.1171.2179.21730113.5Q892 Q893Q892-K896 WeakPolarHBondContact O-CB 3.22Å; Q892-K896 WeakPolarHBondContact O-CG 3.32Å; Q892-K896 PolarHBondContact O-N 2.9Å; Q893-K896 CarbonylContact O-C 3.56Å; Q893-K896 PolarHBondContact O-N 3.3Å
897H62.7Low69.7Low150 Ų150104.2 Ų104.269%0.69452%0.52SS*.Hα-helixtrans-94.2-20.4177.6-65.5-51000114.1Q893 Q894 L895Q893-H897 WeakPolarHBondContact O-CB 3.39Å; Q893-H897 PolarHBondContact O-CD2 2.83Å; Q893-H897 PolarHBondContact O-N 2.86Å; Q894-H897 PolarHBondContact O-N 2.85Å; L895-H897 VanDerWaalsContact C-N 3.3Å; L895-H897 PolarHBondContact O-N 3.43Å
898K52.4Low68.8Low145 Ų145102 Ų10263%0.6352%0.521SS*.Hα-helixtrans-86.4-10.9169.6-73165.6176.5164.10112.6Q894 L895 Q900Q894-K898 HydrophobicContact CB-CD 4.48Å; Q894-K898 WeakPolarHBondContact O-CB 3.32Å; Q894-K898 WeakPolarHBondContact O-CD 3.46Å; Q894-K898 WeakPolarHBondContact O-CG 3.39Å; Q894-K898 PolarHBondContact O-N 2.8Å; L895-K898 PolarHBondContact O-N 3.47Å; K898-Q900 PolarHBondContact O-N 3.19Å
899A43.3Very low68.3Low48 Ų48100.4 Ų100.440%0.39752%0.521SS..SBendtrans-63.778156.600000109.3L895L895-A899 PolarHBondContact O-N 2.94Å
900Q48.3Very low67.5Low116 Ų116102 Ų10254%0.54253%0.527SS..  trans-64.3159.5-175.4-79.4-161.5-24.400112K898 H902 Q903K898-Q900 PolarHBondContact O-N 3.19Å; Q900-H902 PolarHBondContact O-N 2.92Å; Q900-Q903 VanDerWaalsContact O-CB 3.3Å; Q900-Q903 WeakPolarHBondContact O-CB 3.43Å; Q900-Q903 PolarHBondContact O-N 2.82Å
901P53.9Low67.2Low100 Ų100100.8 Ų100.865%0.64952%0.523SS*.Hα-helixtrans-50.6-28.2171.8-28.335.9000114Q903 H904 Q905P901-Q903 VanDerWaalsContact C-N 3.3Å; P901-Q903 PolarHBondContact O-N 3.46Å; P901-H904 PolarHBondContact O-N 3.43Å; P901-Q905 WeakPolarHBondContact O-CB 3.22Å; P901-Q905 PolarHBondContact O-N 3.46Å
902H53.5Low67.3Low121 Ų12196.8 Ų96.856%0.5651%0.507SS*.Hα-helixtrans-64.8-25.8175.1-60.1-41.3000114.4Q900 A906Q900-H902 PolarHBondContact O-N 2.92Å; H902-A906 WeakPolarHBondContact O-CB 3.41Å; H902-A906 PolarHBondContact O-N 2.92Å
903Q52.6Low67.8Low107 Ų10798.9 Ų98.950%0.551%0.511SS..Hα-helixtrans-63.9-59172.1-177.777.429.200109.3Q900 P901 Q905 A906 E907Q900-Q903 VanDerWaalsContact O-CB 3.3Å; Q900-Q903 WeakPolarHBondContact O-CB 3.43Å; Q900-Q903 PolarHBondContact O-N 2.82Å; P901-Q903 VanDerWaalsContact C-N 3.3Å; P901-Q903 PolarHBondContact O-N 3.46Å; Q903-Q905 VanDerWaalsContact C-N 3.32Å; Q903-Q905 PolarHBondContact O-N 3.32Å; Q903-A906 PolarHBondContact O-N 3.49Å; Q903-E907 WeakPolarHBondContact CG-OE1 3.43Å; Q903-E907 PolarHBondContact NE2-OE1 2.83Å; Q903-E907 WeakPolarHBondContact O-CB 3.45Å; Q903-E907 VanDerWaalsContact O-CG 3.28Å; Q903-E907 WeakPolarHBondContact O-CG 3.43Å; Q903-E907 PolarHBondContact O-N 3.38Å
904H60.4Low68.1Low124 Ų12498.6 Ų98.657%0.57451%0.512SS*.Hα-helixtrans-66.2-30.3178.4-67.4-28000113.5P901 E907 A908P901-H904 PolarHBondContact O-N 3.43Å; H904-E907 WeakPolarHBondContact CA-OE2 3.31Å; H904-E907 IonicContact CE1-OE2 2.79Å; H904-E907 IonicContact CG-OE2 3.57Å; H904-E907 IonicContact ND1-OE2 3.88Å; H904-E907 PolarHBondContact ND1-OE2 3.09Å; H904-A908 WeakPolarHBondContact O-CB 3.42Å; H904-A908 PolarHBondContact O-N 3.41Å
905Q62.7Low68.6Low129 Ų129100.9 Ų100.960%0.60352%0.522SS*.Hα-helixtrans-74-33.5174.8-16617332.200112.1P901 Q903 A909P901-Q905 WeakPolarHBondContact O-CB 3.22Å; P901-Q905 PolarHBondContact O-N 3.46Å; Q903-Q905 VanDerWaalsContact C-N 3.32Å; Q903-Q905 PolarHBondContact O-N 3.32Å; Q905-A909 WeakPolarHBondContact O-CB 3.31Å; Q905-A909 PolarHBondContact O-N 3.09Å
906A65.6Low69.5Low39 Ų39101.4 Ų101.432%0.32252%0.515SS..Hα-helixtrans-69.9-45.1169.700000110.8H902 Q903 A908 A909 F910H902-A906 WeakPolarHBondContact O-CB 3.41Å; H902-A906 PolarHBondContact O-N 2.92Å; Q903-A906 PolarHBondContact O-N 3.49Å; A906-A908 VanDerWaalsContact C-N 3.34Å; A906-A908 PolarHBondContact O-N 2.86Å; A906-A909 CarbonylContact O-C 3.6Å; A906-A909 PolarHBondContact O-N 3.48Å; A906-A909 VanDerWaalsContact O-N 3.12Å; A906-F910 HydrophobicContact CB-CD2 4.29Å; A906-F910 HydrophobicContact CB-CE2 4.04Å; A906-F910 WeakPolarHBondContact O-CB 3.46Å; A906-F910 WeakPolarHBondContact O-CD2 3.36Å; A906-F910 WeakPolarHBondContact O-CG 3.33Å; A906-F910 PolarHBondContact O-N 2.77Å
907E72.1Confident70.6Confident87 Ų8798.3 Ų98.341%0.40751%0.505SS..Hα-helixtrans-59.2-41.9174.8-72161.1174.200111.7Q903 H904 F910 G911Q903-E907 WeakPolarHBondContact CG-OE1 3.43Å; Q903-E907 PolarHBondContact NE2-OE1 2.83Å; Q903-E907 WeakPolarHBondContact O-CB 3.45Å; Q903-E907 VanDerWaalsContact O-CG 3.28Å; Q903-E907 WeakPolarHBondContact O-CG 3.43Å; Q903-E907 PolarHBondContact O-N 3.38Å; H904-E907 WeakPolarHBondContact CA-OE2 3.31Å; H904-E907 IonicContact CE1-OE2 2.79Å; H904-E907 IonicContact CG-OE2 3.57Å; H904-E907 IonicContact ND1-OE2 3.88Å; H904-E907 PolarHBondContact ND1-OE2 3.09Å; E907-F910 PolarHBondContact O-N 3.11Å; E907-G911 PolarHBondContact O-N 2.86Å
908A76.8Confident71.9Confident67 Ų6795.5 Ų95.555%0.55450%0.495SS*.Hα-helixtrans-68.3-36.5172.700000112.8H904 A906 G912H904-A908 WeakPolarHBondContact O-CB 3.42Å; H904-A908 PolarHBondContact O-N 3.41Å; A906-A908 VanDerWaalsContact C-N 3.34Å; A906-A908 PolarHBondContact O-N 2.86Å; A908-G912 PolarHBondContact O-N 3.27Å
909A76.8Confident73.9Confident59 Ų5994.6 Ų94.649%0.48849%0.493SS..Hα-helixtrans-70.9-33174.800000112.6Q905 A906 R913Q905-A909 WeakPolarHBondContact O-CB 3.31Å; Q905-A909 PolarHBondContact O-N 3.09Å; A906-A909 CarbonylContact O-C 3.6Å; A906-A909 PolarHBondContact O-N 3.48Å; A906-A909 VanDerWaalsContact O-N 3.12Å; A909-R913 WeakPolarHBondContact O-CB 3.49Å; A909-R913 PolarHBondContact O-N 3.38Å
910F76.3Confident76.3Confident124 Ų12497.5 Ų97.554%0.54450%0.498SS..Hα-helixtrans-72.3-44.7171.6-70.8-53.3000110.8A906 E907 R913 I914A906-F910 HydrophobicContact CB-CD2 4.29Å; A906-F910 HydrophobicContact CB-CE2 4.04Å; A906-F910 WeakPolarHBondContact O-CB 3.46Å; A906-F910 WeakPolarHBondContact O-CD2 3.36Å; A906-F910 WeakPolarHBondContact O-CG 3.33Å; A906-F910 PolarHBondContact O-N 2.77Å; E907-F910 PolarHBondContact O-N 3.11Å; F910-R913 CarbonylContact O-C 3.53Å; F910-R913 WeakPolarHBondContact O-CA 3.35Å; F910-R913 WeakPolarHBondContact O-CB 3.33Å; F910-R913 PolarHBondContact O-N 3.41Å; F910-I914 VanDerWaalsContact O-CG1 3.28Å; F910-I914 WeakPolarHBondContact O-CG1 3.49Å; F910-I914 PolarHBondContact O-N 3.18Å
911G86.2Confident78.4Confident28 Ų2897.1 Ų97.129%0.28950%0.5SS..Hα-helixtrans-56-55.9172.100000111.4E907 R913 I914 E915E907-G911 PolarHBondContact O-N 2.86Å; G911-R913 PolarHBondContact O-N 3.26Å; G911-R913 VanDerWaalsContact O-N 3.12Å; G911-I914 CarbonylContact O-C 3.54Å; G911-I914 WeakPolarHBondContact O-CA 3.27Å; G911-I914 WeakPolarHBondContact O-CB 3.49Å; G911-I914 PolarHBondContact O-N 3.33Å; G911-E915 WeakPolarHBondContact O-CG 3.28Å; G911-E915 PolarHBondContact O-N 3.09Å
912G87.8Confident80.2Confident22 Ų2294.6 Ų94.623%0.22749%0.487CS..Hα-helixtrans-65.1-12.6174.600000114.7A908 R916A908-G912 PolarHBondContact O-N 3.27Å; G912-R916 WeakPolarHBondContact O-CG 3.2Å; G912-R916 PolarHBondContact O-NE 3.49Å; G912-R916 PolarHBondContact O-NH2 3.4Å
913R89.6Confident82Confident148 Ų14891.9 Ų91.956%0.55848%0.479SS*.Hα-helixtrans-85.7-40.3167.6-178.2178.8-179.5180-0.4111.3A909 F910 G911 R916 L917A909-R913 WeakPolarHBondContact O-CB 3.49Å; A909-R913 PolarHBondContact O-N 3.38Å; F910-R913 CarbonylContact O-C 3.53Å; F910-R913 WeakPolarHBondContact O-CA 3.35Å; F910-R913 WeakPolarHBondContact O-CB 3.33Å; F910-R913 PolarHBondContact O-N 3.41Å; G911-R913 PolarHBondContact O-N 3.26Å; G911-R913 VanDerWaalsContact O-N 3.12Å; R913-R916 PolarHBondContact O-N 3.48Å; R913-L917 HydrophobicContact CG-CD1 4.13Å; R913-L917 WeakPolarHBondContact O-CB 3.46Å; R913-L917 VanDerWaalsContact O-CG 3.28Å; R913-L917 WeakPolarHBondContact O-CG 3.31Å; R913-L917 PolarHBondContact O-N 2.89Å
914I88.1Confident84Confident97 Ų9793.3 Ų93.350%0.49748%0.484SS..Hα-helixtrans-64.1-43.3174.5-69.9161.7000110F910 G911 L917 N918F910-I914 VanDerWaalsContact O-CG1 3.28Å; F910-I914 WeakPolarHBondContact O-CG1 3.49Å; F910-I914 PolarHBondContact O-N 3.18Å; G911-I914 CarbonylContact O-C 3.54Å; G911-I914 WeakPolarHBondContact O-CA 3.27Å; G911-I914 WeakPolarHBondContact O-CB 3.49Å; G911-I914 PolarHBondContact O-N 3.33Å; I914-L917 PolarHBondContact O-N 2.95Å; I914-N918 WeakPolarHBondContact O-CB 3.23Å; I914-N918 PolarHBondContact O-N 3.22Å; I914-N918 PolarHBondContact O-ND2 3.35Å
915E89.8Confident85.5Confident123 Ų12389.6 Ų89.658%0.57547%0.472SS*.Hα-helixtrans-60.7-45.4174.4-72.2179.8165.500112.4G911 N918 Q919G911-E915 WeakPolarHBondContact O-CG 3.28Å; G911-E915 PolarHBondContact O-N 3.09Å; E915-N918 PolarHBondContact O-N 3.08Å; E915-Q919 VanDerWaalsContact O-CG 3.29Å; E915-Q919 WeakPolarHBondContact O-CG 3.31Å; E915-Q919 PolarHBondContact O-N 3.44Å
916R92.3Very high87Confident144 Ų14489.8 Ų89.854%0.54347%0.467SS..Hα-helixtrans-62.3-45.4174-81.2178.9-70.6154-1.6112G912 R913 N918 Q919 E920G912-R916 WeakPolarHBondContact O-CG 3.2Å; G912-R916 PolarHBondContact O-NE 3.49Å; G912-R916 PolarHBondContact O-NH2 3.4Å; R913-R916 PolarHBondContact O-N 3.48Å; R916-N918 VanDerWaalsContact C-N 3.27Å; R916-N918 PolarHBondContact O-N 3.01Å; R916-Q919 PolarHBondContact O-N 2.76Å; R916-Q919 VanDerWaalsContact O-N 3.15Å; R916-E920 WeakPolarHBondContact O-CB 3.31Å; R916-E920 WeakPolarHBondContact O-CG 3.27Å; R916-E920 PolarHBondContact O-N 2.93Å
917L92.3Very high88.3Confident86 Ų8690.2 Ų90.245%0.4547%0.468SS..Hα-helixtrans-62.7-33.2175.3-72.5170.4000112.3R913 I914 L921R913-L917 HydrophobicContact CG-CD1 4.13Å; R913-L917 WeakPolarHBondContact O-CB 3.46Å; R913-L917 VanDerWaalsContact O-CG 3.28Å; R913-L917 WeakPolarHBondContact O-CG 3.31Å; R913-L917 PolarHBondContact O-N 2.89Å; I914-L917 PolarHBondContact O-N 2.95Å; L917-L921 WeakPolarHBondContact O-CB 3.28Å; L917-L921 PolarHBondContact O-N 2.94Å
918N89.7Confident89.2Confident91 Ų9191.1 Ų91.149%0.48747%0.474SS..Hα-helixtrans-72.1-36.3173.5-74.1-21000112.2I914 E915 R916 L921 A922I914-N918 WeakPolarHBondContact O-CB 3.23Å; I914-N918 PolarHBondContact O-N 3.22Å; I914-N918 PolarHBondContact O-ND2 3.35Å; E915-N918 PolarHBondContact O-N 3.08Å; R916-N918 VanDerWaalsContact C-N 3.27Å; R916-N918 PolarHBondContact O-N 3.01Å; N918-L921 PolarHBondContact O-N 3.33Å; N918-A922 VanDerWaalsContact O-CB 3.23Å; N918-A922 WeakPolarHBondContact O-CB 3.14Å; N918-A922 PolarHBondContact O-N 2.92Å
919Q93.3Very high90Very high127 Ų12793.6 Ų93.659%0.59347%0.474SS*.Hα-helixtrans-69.5-39173-69.9170.72500111.8E915 R916 A922 T923E915-Q919 VanDerWaalsContact O-CG 3.29Å; E915-Q919 WeakPolarHBondContact O-CG 3.31Å; E915-Q919 PolarHBondContact O-N 3.44Å; R916-Q919 PolarHBondContact O-N 2.76Å; R916-Q919 VanDerWaalsContact O-N 3.15Å; Q919-A922 PolarHBondContact O-N 3.21Å; Q919-T923 WeakPolarHBondContact O-CG2 3.15Å; Q919-T923 PolarHBondContact O-N 2.83Å; Q919-T923 PolarHBondContact O-OG1 3.35Å
920E93.6Very high90.7Very high108 Ų10896.1 Ų96.151%0.50548%0.476SS..Hα-helixtrans-62.9-46.9169.7-74.7178-141.900110.7R916 A922 T923 K924R916-E920 WeakPolarHBondContact O-CB 3.31Å; R916-E920 WeakPolarHBondContact O-CG 3.27Å; R916-E920 PolarHBondContact O-N 2.93Å; E920-A922 VanDerWaalsContact C-N 3.31Å; E920-A922 PolarHBondContact O-N 3.13Å; E920-T923 WeakPolarHBondContact CA-OG1 3.34Å; E920-T923 PolarHBondContact O-N 3.33Å; E920-T923 PolarHBondContact O-OG1 2.82Å; E920-K924 WeakPolarHBondContact O-CB 3.23Å; E920-K924 WeakPolarHBondContact O-CG 3.41Å; E920-K924 PolarHBondContact O-N 3.2Å
921L93.8Very high91.5Very high108 Ų10894.9 Ų94.957%0.56547%0.474SS*.Hα-helixtrans-60.8-39.1175.4-175.263.4000111.8L917 N918 S925L917-L921 WeakPolarHBondContact O-CB 3.28Å; L917-L921 PolarHBondContact O-N 2.94Å; N918-L921 PolarHBondContact O-N 3.33Å; L921-S925 WeakPolarHBondContact O-CB 3.39Å; L921-S925 PolarHBondContact O-N 2.91Å; L921-S925 PolarHBondContact O-OG 2.92Å
922A90.9Very high91.4Very high47 Ų4796.3 Ų96.339%0.38848%0.48SS..Hα-helixtrans-73.2-3317800000113.3N918 Q919 E920 R926N918-A922 VanDerWaalsContact O-CB 3.23Å; N918-A922 WeakPolarHBondContact O-CB 3.14Å; N918-A922 PolarHBondContact O-N 2.92Å; Q919-A922 PolarHBondContact O-N 3.21Å; E920-A922 VanDerWaalsContact C-N 3.31Å; E920-A922 PolarHBondContact O-N 3.13Å; A922-R926 WeakPolarHBondContact O-CG 3.45Å; A922-R926 PolarHBondContact O-N 3.31Å; A922-R926 VanDerWaalsContact O-N 3.11Å; A922-R926 PolarHBondContact O-NE 2.91Å
923T92.6Very high91.6Very high65 Ų6599.8 Ų99.840%0.39949%0.49SS..Hα-helixtrans-74-42.6172.648.20000111.4Q919 E920 R926 S927Q919-T923 WeakPolarHBondContact O-CG2 3.15Å; Q919-T923 PolarHBondContact O-N 2.83Å; Q919-T923 PolarHBondContact O-OG1 3.35Å; E920-T923 WeakPolarHBondContact CA-OG1 3.34Å; E920-T923 PolarHBondContact O-N 3.33Å; E920-T923 PolarHBondContact O-OG1 2.82Å; T923-R926 VanDerWaalsContact CG2-NH2 3.27Å; T923-R926 PolarHBondContact O-N 3.24Å; T923-S927 WeakPolarHBondContact O-CB 3.44Å; T923-S927 PolarHBondContact O-N 2.85Å
924K93.9Very high91.6Very high137 Ų13795.6 Ų95.660%0.59648%0.482SS*.Hα-helixtrans-63.3-39.7172.3-64.2-65.5178.8-176.20111.7E920 S927 I928E920-K924 WeakPolarHBondContact O-CB 3.23Å; E920-K924 WeakPolarHBondContact O-CG 3.41Å; E920-K924 PolarHBondContact O-N 3.2Å; K924-S927 PolarHBondContact O-N 3.49Å; K924-I928 WeakPolarHBondContact O-CB 3.2Å; K924-I928 WeakPolarHBondContact O-CD1 3.35Å; K924-I928 VanDerWaalsContact O-CG1 3.24Å; K924-I928 WeakPolarHBondContact O-CG1 3.24Å; K924-I928 PolarHBondContact O-N 3.29Å
925S92.1Very high91.6Very high46 Ų4695.2 Ų95.232%0.32248%0.48SS..Hα-helixtrans-63.4-42.4175.1-63.50000112.1L921 I928 Q929L921-S925 WeakPolarHBondContact O-CB 3.39Å; L921-S925 PolarHBondContact O-N 2.91Å; L921-S925 PolarHBondContact O-OG 2.92Å; S925-I928 PolarHBondContact O-N 3.17Å; S925-Q929 WeakPolarHBondContact O-CG 3.21Å; S925-Q929 PolarHBondContact O-N 2.85Å
926R93Very high91.6Very high133 Ų13394.4 Ų94.450%0.50248%0.476SS..Hα-helixtrans-62.4-45.6172.1-79.4179.5-74.9146.2-14112A922 T923 I928 Q929 E930A922-R926 WeakPolarHBondContact O-CG 3.45Å; A922-R926 PolarHBondContact O-N 3.31Å; A922-R926 VanDerWaalsContact O-N 3.11Å; A922-R926 PolarHBondContact O-NE 2.91Å; T923-R926 VanDerWaalsContact CG2-NH2 3.27Å; T923-R926 PolarHBondContact O-N 3.24Å; R926-I928 VanDerWaalsContact C-N 3.3Å; R926-I928 PolarHBondContact O-N 3Å; R926-Q929 CarbonylContact O-C 3.56Å; R926-Q929 WeakPolarHBondContact O-CA 3.23Å; R926-Q929 WeakPolarHBondContact O-CB 3.33Å; R926-Q929 PolarHBondContact O-N 3.35Å; R926-E930 WeakPolarHBondContact O-CB 3.39Å; R926-E930 WeakPolarHBondContact O-CG 3.48Å; R926-E930 PolarHBondContact O-N 3.23Å
927S92.8Very high91.4Very high48 Ų4894.2 Ų94.234%0.33648%0.475SS..Hα-helixtrans-60.5-37.2174.9-175.50000112.5T923 K924 E930 L931T923-S927 WeakPolarHBondContact O-CB 3.44Å; T923-S927 PolarHBondContact O-N 2.85Å; K924-S927 PolarHBondContact O-N 3.49Å; S927-E930 PolarHBondContact O-N 2.91Å; S927-L931 VanDerWaalsContact O-CB 3.28Å; S927-L931 WeakPolarHBondContact O-CB 3.32Å; S927-L931 WeakPolarHBondContact O-CG 3.5Å; S927-L931 PolarHBondContact O-N 3.22Å
928I92.4Very high90.9Very high105 Ų10595.1 Ų95.154%0.53848%0.48SS..Hα-helixtrans-68-37.6173.2-71162.8000111.3K924 S925 R926 S932K924-I928 WeakPolarHBondContact O-CB 3.2Å; K924-I928 WeakPolarHBondContact O-CD1 3.35Å; K924-I928 VanDerWaalsContact O-CG1 3.24Å; K924-I928 WeakPolarHBondContact O-CG1 3.24Å; K924-I928 PolarHBondContact O-N 3.29Å; S925-I928 PolarHBondContact O-N 3.17Å; R926-I928 VanDerWaalsContact C-N 3.3Å; R926-I928 PolarHBondContact O-N 3Å; I928-S932 VanDerWaalsContact O-CB 3.26Å; I928-S932 WeakPolarHBondContact O-CB 3.46Å; I928-S932 PolarHBondContact O-N 3.03Å; I928-S932 PolarHBondContact O-OG 2.7Å
929Q92Very high90.2Very high119 Ų11994.9 Ų94.956%0.55648%0.476SS*.Hα-helixtrans-67-42.8173.3-72.6170.6-3.900111.7S925 R926 S932 Q933S925-Q929 WeakPolarHBondContact O-CG 3.21Å; S925-Q929 PolarHBondContact O-N 2.85Å; R926-Q929 CarbonylContact O-C 3.56Å; R926-Q929 WeakPolarHBondContact O-CA 3.23Å; R926-Q929 WeakPolarHBondContact O-CB 3.33Å; R926-Q929 PolarHBondContact O-N 3.35Å; Q929-S932 WeakPolarHBondContact O-CB 3.42Å; Q929-S932 PolarHBondContact O-N 2.85Å; Q929-Q933 WeakPolarHBondContact O-CG 3.33Å; Q929-Q933 PolarHBondContact O-N 2.93Å
930E92.8Very high89.7Confident113 Ų11394.9 Ų94.953%0.52847%0.47SS..Hα-helixtrans-61.6-47.2174.5-71.7159.1-162.600111.1R926 S927 S932 Q933 T934R926-E930 WeakPolarHBondContact O-CB 3.39Å; R926-E930 WeakPolarHBondContact O-CG 3.48Å; R926-E930 PolarHBondContact O-N 3.23Å; S927-E930 PolarHBondContact O-N 2.91Å; E930-S932 VanDerWaalsContact C-N 3.31Å; E930-S932 PolarHBondContact O-N 3.33Å; E930-Q933 CarbonylContact O-C 3.55Å; E930-Q933 WeakPolarHBondContact O-CB 3.48Å; E930-Q933 PolarHBondContact O-N 2.68Å; E930-T934 PolarHBondContact O-N 3.03Å; E930-T934 PolarHBondContact O-OG1 3.23Å
931L92.2Very high88.9Confident97 Ų9795.2 Ų95.251%0.50847%0.472SS..Hα-helixtrans-63.5-35.1173.6-73.5169.4000112.2S927 T934 I935S927-L931 VanDerWaalsContact O-CB 3.28Å; S927-L931 WeakPolarHBondContact O-CB 3.32Å; S927-L931 WeakPolarHBondContact O-CG 3.5Å; S927-L931 PolarHBondContact O-N 3.22Å; L931-T934 WeakPolarHBondContact CA-OG1 3.44Å; L931-T934 PolarHBondContact O-N 2.77Å; L931-T934 PolarHBondContact O-OG1 2.87Å; L931-T934 VanDerWaalsContact O-OG1 3.08Å; L931-I935 VanDerWaalsContact O-CB 3.27Å; L931-I935 WeakPolarHBondContact O-CB 3.47Å; L931-I935 WeakPolarHBondContact O-CD1 3.48Å; L931-I935 WeakPolarHBondContact O-CG1 3.48Å; L931-I935 PolarHBondContact O-N 3.49Å
932S85.4Confident88.1Confident59 Ų5998.8 Ų98.841%0.41348%0.478SS..Hα-helixtrans-67.3-39.8173.4-60.50000111I928 Q929 E930 I935 E936I928-S932 VanDerWaalsContact O-CB 3.26Å; I928-S932 WeakPolarHBondContact O-CB 3.46Å; I928-S932 PolarHBondContact O-N 3.03Å; I928-S932 PolarHBondContact O-OG 2.7Å; Q929-S932 WeakPolarHBondContact O-CB 3.42Å; Q929-S932 PolarHBondContact O-N 2.85Å; E930-S932 VanDerWaalsContact C-N 3.31Å; E930-S932 PolarHBondContact O-N 3.33Å; S932-I935 PolarHBondContact O-N 3.12Å; S932-E936 WeakPolarHBondContact O-CB 3.42Å; S932-E936 WeakPolarHBondContact O-CG 3.43Å; S932-E936 PolarHBondContact O-N 2.76Å
933Q91.6Very high87.3Confident94 Ų94104.3 Ų104.344%0.43949%0.489SS..Hα-helixtrans-67.7-36.5173.9-73.2-17838.800112.8Q929 E930 E936 R937Q929-Q933 WeakPolarHBondContact O-CG 3.33Å; Q929-Q933 PolarHBondContact O-N 2.93Å; E930-Q933 CarbonylContact O-C 3.55Å; E930-Q933 WeakPolarHBondContact O-CB 3.48Å; E930-Q933 PolarHBondContact O-N 2.68Å; Q933-E936 PolarHBondContact O-N 3.35Å; Q933-R937 WeakPolarHBondContact O-CB 3.49Å; Q933-R937 WeakPolarHBondContact O-CG 3.47Å; Q933-R937 PolarHBondContact O-N 2.88Å
934T89.1Confident86.1Confident61 Ų61105 Ų10537%0.37450%0.496SS..Hα-helixtrans-72.9-39.3174.458.80000111.2E930 L931 E936 R937 L938E930-T934 PolarHBondContact O-N 3.03Å; E930-T934 PolarHBondContact O-OG1 3.23Å; L931-T934 WeakPolarHBondContact CA-OG1 3.44Å; L931-T934 PolarHBondContact O-N 2.77Å; L931-T934 PolarHBondContact O-OG1 2.87Å; L931-T934 VanDerWaalsContact O-OG1 3.08Å; T934-E936 VanDerWaalsContact C-N 3.32Å; T934-E936 PolarHBondContact O-N 3.31Å; T934-R937 PolarHBondContact O-N 2.88Å; T934-L938 WeakPolarHBondContact O-CB 3.43Å; T934-L938 VanDerWaalsContact O-CG 3.27Å; T934-L938 WeakPolarHBondContact O-CG 3.43Å; T934-L938 PolarHBondContact O-N 3.33Å
935I87.8Confident84.5Confident89 Ų89105.3 Ų105.346%0.45650%0.502SS..Hα-helixtrans-59.6-42170.1-72.3165.5000110.6L931 S932 Q939L931-I935 VanDerWaalsContact O-CB 3.27Å; L931-I935 WeakPolarHBondContact O-CB 3.47Å; L931-I935 WeakPolarHBondContact O-CD1 3.48Å; L931-I935 WeakPolarHBondContact O-CG1 3.48Å; L931-I935 PolarHBondContact O-N 3.49Å; S932-I935 PolarHBondContact O-N 3.12Å; I935-Q939 HydrophobicContact CG2-CG 4.44Å; I935-Q939 VanDerWaalsContact O-CB 3.27Å; I935-Q939 WeakPolarHBondContact O-CB 3.47Å; I935-Q939 VanDerWaalsContact O-CG 3.25Å; I935-Q939 WeakPolarHBondContact O-CG 3.44Å; I935-Q939 PolarHBondContact O-N 2.77Å
936E89.4Confident82.7Confident106 Ų106109.3 Ų109.350%0.49552%0.518SS..Hα-helixtrans-66-41173.5-82.9-163.8-170.500113S932 Q933 T934 Q939 R940S932-E936 WeakPolarHBondContact O-CB 3.42Å; S932-E936 WeakPolarHBondContact O-CG 3.43Å; S932-E936 PolarHBondContact O-N 2.76Å; Q933-E936 PolarHBondContact O-N 3.35Å; T934-E936 VanDerWaalsContact C-N 3.32Å; T934-E936 PolarHBondContact O-N 3.31Å; E936-Q939 CarbonylContact O-C 3.59Å; E936-Q939 PolarHBondContact O-N 3.33Å; E936-R940 WeakPolarHBondContact O-CB 3.23Å; E936-R940 WeakPolarHBondContact O-CG 3.34Å; E936-R940 PolarHBondContact O-N 2.79Å; E936-R940 IonicContact OE2-CZ 3.62Å; E936-R940 IonicContact OE2-NE 3.65Å; E936-R940 IonicContact OE2-NH2 2.73Å; E936-R940 PolarHBondContact OE2-NH2 3.13Å
937R88.2Confident80.5Confident140 Ų140107.2 Ų107.253%0.52852%0.524SS..Hα-helixtrans-60.6-50.4175.6-73.9168.2-157.1-164.47.8109.8Q933 T934 Q939 R940 E941Q933-R937 WeakPolarHBondContact O-CB 3.49Å; Q933-R937 WeakPolarHBondContact O-CG 3.47Å; Q933-R937 PolarHBondContact O-N 2.88Å; T934-R937 PolarHBondContact O-N 2.88Å; R937-Q939 VanDerWaalsContact C-N 3.29Å; R937-Q939 PolarHBondContact O-N 2.79Å; R937-R940 PolarHBondContact O-N 3.31Å; R937-R940 VanDerWaalsContact O-N 3.14Å; R937-E941 VanDerWaalsContact O-CB 3.25Å; R937-E941 WeakPolarHBondContact O-CB 3.23Å; R937-E941 PolarHBondContact O-N 2.75Å
938L81.5Confident77.9Confident105 Ų105112 Ų11255%0.5554%0.543SS..Hα-helixtrans-62.6-32.2175.3-68.9168.5000112.5T934 R942T934-L938 WeakPolarHBondContact O-CB 3.43Å; T934-L938 VanDerWaalsContact O-CG 3.27Å; T934-L938 WeakPolarHBondContact O-CG 3.43Å; T934-L938 PolarHBondContact O-N 3.33Å; L938-R942 WeakPolarHBondContact O-CB 3.47Å; L938-R942 PolarHBondContact O-N 3.14Å
939Q76.2Confident75.5Confident86 Ų86113.1 Ų113.140%0.40256%0.557SS.*Hα-helixtrans-73.6-38.3172.3-80.6-170.843.200112.7I935 E936 R937 R942 R943I935-Q939 HydrophobicContact CG2-CG 4.44Å; I935-Q939 VanDerWaalsContact O-CB 3.27Å; I935-Q939 WeakPolarHBondContact O-CB 3.47Å; I935-Q939 VanDerWaalsContact O-CG 3.25Å; I935-Q939 WeakPolarHBondContact O-CG 3.44Å; I935-Q939 PolarHBondContact O-N 2.77Å; E936-Q939 CarbonylContact O-C 3.59Å; E936-Q939 PolarHBondContact O-N 3.33Å; R937-Q939 VanDerWaalsContact C-N 3.29Å; R937-Q939 PolarHBondContact O-N 2.79Å; Q939-R942 PolarHBondContact O-N 3.09Å; Q939-R943 WeakPolarHBondContact O-CB 3.46Å; Q939-R943 WeakPolarHBondContact O-CD 3.43Å; Q939-R943 WeakPolarHBondContact O-CG 3.27Å; Q939-R943 PolarHBondContact O-N 3.04Å
940R82.1Confident73.1Confident126 Ų126118.7 Ų118.748%0.47557%0.573SS.*Hα-helixtrans-67.9-42.1175-78-179.4-102.9119.9-10.9110.6E936 R937 R943 S944E936-R940 WeakPolarHBondContact O-CB 3.23Å; E936-R940 WeakPolarHBondContact O-CG 3.34Å; E936-R940 PolarHBondContact O-N 2.79Å; E936-R940 IonicContact OE2-CZ 3.62Å; E936-R940 IonicContact OE2-NE 3.65Å; E936-R940 IonicContact OE2-NH2 2.73Å; E936-R940 PolarHBondContact OE2-NH2 3.13Å; R937-R940 PolarHBondContact O-N 3.31Å; R937-R940 VanDerWaalsContact O-N 3.14Å; R940-R943 PolarHBondContact O-N 3.4Å; R940-S944 WeakPolarHBondContact O-CB 3.48Å; R940-S944 PolarHBondContact O-N 2.85Å
941E77.9Confident70.4Confident116 Ų116122.6 Ų122.654%0.54259%0.591SS.*Hα-helixtrans-62.4-46.8171.4-174.7170.9-14900111.3R937 R943 S944 M945R937-E941 VanDerWaalsContact O-CB 3.25Å; R937-E941 WeakPolarHBondContact O-CB 3.23Å; R937-E941 PolarHBondContact O-N 2.75Å; E941-R943 VanDerWaalsContact C-N 3.33Å; E941-R943 PolarHBondContact O-N 3.46Å; E941-S944 CarbonylContact O-C 3.55Å; E941-S944 WeakPolarHBondContact O-CA 3.34Å; E941-S944 WeakPolarHBondContact O-CB 3.46Å; E941-S944 PolarHBondContact O-N 3.32Å; E941-S944 VanDerWaalsContact O-N 3.1Å; E941-M945 HydrophobicContact CG-CG 4.5Å; E941-M945 WeakPolarHBondContact O-CB 3.24Å; E941-M945 VanDerWaalsContact O-CG 3.27Å; E941-M945 WeakPolarHBondContact O-CG 3.26Å; E941-M945 PolarHBondContact O-N 3.49Å
942R77.1Confident67.6Low183 Ų183128.2 Ų128.269%0.69161%0.606SS**Hα-helixtrans-60.5-39.4173.1-174.9178-179-167.60.8112.3L938 Q939 L946L938-R942 WeakPolarHBondContact O-CB 3.47Å; L938-R942 PolarHBondContact O-N 3.14Å; Q939-R942 PolarHBondContact O-N 3.09Å; R942-L946 HydrophobicContact CG-CD1 3.96Å; R942-L946 HydrophobicContact CG-CG 4.44Å; R942-L946 VanDerWaalsContact O-CB 3.25Å; R942-L946 WeakPolarHBondContact O-CB 3.44Å; R942-L946 WeakPolarHBondContact O-CD1 3.31Å; R942-L946 WeakPolarHBondContact O-CG 3.37Å; R942-L946 PolarHBondContact O-N 3.37Å
943R73.3Confident65Low163 Ų163130.7 Ų130.762%0.61562%0.623SS**Hα-helixtrans-66.3-36.4174.1-70.8165.9-155.1-163.59.1111.6Q939 R940 E941 S947Q939-R943 WeakPolarHBondContact O-CB 3.46Å; Q939-R943 WeakPolarHBondContact O-CD 3.43Å; Q939-R943 WeakPolarHBondContact O-CG 3.27Å; Q939-R943 PolarHBondContact O-N 3.04Å; R940-R943 PolarHBondContact O-N 3.4Å; E941-R943 VanDerWaalsContact C-N 3.33Å; E941-R943 PolarHBondContact O-N 3.46Å; R943-S947 PolarHBondContact O-N 2.8Å
944S68.3Low62.1Low79 Ų79131.9 Ų131.955%0.55263%0.629SS**Hα-helixtrans-66.8-47.3173.8-164.80000111.8R940 E941 L946 S947R940-S944 WeakPolarHBondContact O-CB 3.48Å; R940-S944 PolarHBondContact O-N 2.85Å; E941-S944 CarbonylContact O-C 3.55Å; E941-S944 WeakPolarHBondContact O-CA 3.34Å; E941-S944 WeakPolarHBondContact O-CB 3.46Å; E941-S944 PolarHBondContact O-N 3.32Å; E941-S944 VanDerWaalsContact O-N 3.1Å; S944-L946 VanDerWaalsContact C-N 3.3Å; S944-L946 PolarHBondContact O-N 2.75Å; S944-S947 WeakPolarHBondContact O-CB 3.46Å; S944-S947 PolarHBondContact O-N 3.38Å; S944-S947 PolarHBondContact O-OG 2.88Å
945M58.8Low59.3Low144 Ų144139 Ų13971%0.70965%0.649SS**Hα-helixtrans-64.9-33.9177-68.4-72.1-83.900111.7E941 S947 M948E941-M945 HydrophobicContact CG-CG 4.5Å; E941-M945 WeakPolarHBondContact O-CB 3.24Å; E941-M945 VanDerWaalsContact O-CG 3.27Å; E941-M945 WeakPolarHBondContact O-CG 3.26Å; E941-M945 PolarHBondContact O-N 3.49Å; M945-S947 PolarHBondContact O-N 3.35Å; M945-M948 PolarHBondContact O-N 3.2Å
946L53.9Low56.6Low129 Ų129143.1 Ų143.168%0.67567%0.665SS**THydrogen-bonded Turntrans-74.6-3.1171.8-72.1169.9000114.3R942 S944R942-L946 HydrophobicContact CG-CD1 3.96Å; R942-L946 HydrophobicContact CG-CG 4.44Å; R942-L946 VanDerWaalsContact O-CB 3.25Å; R942-L946 WeakPolarHBondContact O-CB 3.44Å; R942-L946 WeakPolarHBondContact O-CD1 3.31Å; R942-L946 WeakPolarHBondContact O-CG 3.37Å; R942-L946 PolarHBondContact O-N 3.37Å; S944-L946 VanDerWaalsContact C-N 3.3Å; S944-L946 PolarHBondContact O-N 2.75Å
947S47.6Very low53.7Low90 Ų90143.6 Ų143.663%0.62968%0.681SS**THydrogen-bonded Turntrans-92.4-3.5173.377.70000114.1R943 S944 M945R943-S947 PolarHBondContact O-N 2.8Å; S944-S947 WeakPolarHBondContact O-CB 3.46Å; S944-S947 PolarHBondContact O-N 3.38Å; S944-S947 PolarHBondContact O-OG 2.88Å; M945-S947 PolarHBondContact O-N 3.35Å
948M39.3Very low50.9Low149 Ų149140.8 Ų140.873%0.73469%0.687SS**SBendtrans-81.6140.3173.6-81.1-66.9-169.700112.6M945M945-M948 PolarHBondContact O-N 3.2Å
949P40.8Very low48.5Very low127 Ų127144.5 Ų144.583%0.82570%0.702SS**PPolyproline II helixtrans-61.4154.7176.4-26.136.2000115.4
950R41Very low46.3Very low236 Ų236146 Ų14689%0.89172%0.722SS**PPolyproline II helixtrans-102.9123.4-160.7177.6-172.3-177.5-170.33.1114.2
951Q37.3Very low44.2Very low195 Ų195152 Ų15291%0.91175%0.745SS**  trans-126.7126.5153.7-64.3-178.8-6.100106.6
952R33.8Very low42Very low216 Ų216151 Ų15182%0.81576%0.757SS**  cis9368.129.1-158.1-171179.5148.36.3115.3
953S30.2Very low39.9Very low110 Ų110150.2 Ų150.277%0.76976%0.761SS**  trans-154.1141.8134.2-136.90000106
954E31.1Very low37.8Very low120 Ų120150.3 Ų150.356%0.56177%0.768SS**  cis7483.420.8-151.2-164.5-72.300113.9
955R29.9Very low36Very low211 Ų211152.1 Ų152.180%0.79678%0.781SS**  169.2168.5124-90.3172-160.3-168.44.8114.3
956H30.9Very low35.3Very low174 Ų174151.2 Ų151.281%0.80679%0.788SS**  trans-59.9161.1-173.8-40.1-93.3000116.9
957S29.4Very low34.2Very low117 Ų117149.5 Ų149.582%0.81879%0.793SS**  132.9155.3115.8-151.80000116.4
958A28.5Very low33.5Very low80 Ų80150 Ų15066%0.66180%0.803SS**  trans43.8108.5153.900000121.1
959E31.3Very low33.2Very low183 Ų183147.1 Ų147.186%0.85580%0.802SS**  31.1106.7103.5-175.2169.2-139.500118.6
960S29.9Very low32.8Very low119 Ų119149.2 Ų149.283%0.83281%0.806SS**  trans178.6158.3133.6-85.50000113.2
961R39.3Very low32.5Very low251 Ų251141.3 Ų141.395%0.94780%0.798SS**  trans-73.3138.6164.5-70.8165.3159.1162.5-10.3110.4
962A30.3Very low32.4Very low96 Ų96137.2 Ų137.279%0.79379%0.791SS**  trans-158.5103148.300000111.7
963Q32.8Very low32.4Very low166 Ų166132.7 Ų132.778%0.77679%0.788SS**  31.7154.3124.3-131.4157.2-73.800123.4
964E29.1Very low32.7Very low165 Ų165136.7 Ų136.777%0.77180%0.795SS**  trans69.6143.6161.6-82.2142.2-130.300118
965S30.1Very low32.6Very low117 Ų117135.8 Ų135.882%0.81881%0.808SS**  cis-148.2166.927.4470000113.9
966S46Very low32.9Very low124 Ų124128.9 Ų128.987%0.86780%0.802SS**  trans-130.9159162.361.40000110
967A29.2Very low33Very low93 Ų93131.3 Ų131.377%0.76980%0.804SS**  trans-135.8118.2175.400000107.5
968A34Very low33.2Very low102 Ų102134 Ų13484%0.84380%0.802SS**  93.5140.580.100000110.9
969A32.9Very low33.9Very low87 Ų87135.3 Ų135.372%0.71980%0.803SS**  cis-150.51729.100000113.8
970D31.9Very low34.6Very low171 Ų171131.4 Ų131.491%0.91480%0.802SS**  trans63139.5159.5-66.5-20000122.5
971G34.8Very low34.7Very low70 Ų70128.6 Ų128.672%0.72279%0.786SS**  trans-179.4-8.4-175.600000118.8
972S35.5Very low35.1Very low109 Ų109125.8 Ų125.876%0.76278%0.784SS**  trans75.1149.7170.893.40000120.2
973T33.3Very low35.7Very low122 Ų122130.4 Ų130.475%0.74878%0.782SS**  trans64.583.1143.9-39.10000120.8
974Q37.3Very low36.3Very low194 Ų194132 Ų13291%0.90779%0.789SS**  -173.3-178.2100.3-120.7-179.315.900113.9
975A29.3Very low37.1Very low101 Ų101132.5 Ų132.584%0.83579%0.789SS**  trans-75.6160.5-169.700000115.1
976G36.1Very low37.9Very low66 Ų66133.3 Ų133.368%0.6879%0.789SS**  cis172.8155.9-8.100000117.6
977R31.1Very low37.8Very low224 Ų224136.6 Ų136.685%0.84578%0.784SS**  trans16.497.3139.1-17192.2-174.2-161.90.4119.1
978F34.5Very low38.6Very low175 Ų175139 Ų13977%0.76878%0.779SS**  trans63.9174.7147.3-73.7-93.1000116.2
979P43.1Very low39.4Very low107 Ų107138.7 Ų138.770%0.69577%0.769SS**  cis-129.5-179.36.444.3-29.1000116.2
980A45.9Very low40.2Very low100 Ų100139 Ų13983%0.82677%0.766SS**  trans-81.8127151.100000109.5
981A32.6Very low41.1Very low61 Ų61136.6 Ų136.650%0.50476%0.757SS.*  trans-142.1116166.900000107
982Q46.6Very low41.8Very low192 Ų192137.9 Ų137.990%0.89774%0.743SS**  51.380.873.8-65.8-166.2-11.300112.4
983Y42.7Very low42.9Very low193 Ų193138.8 Ų138.876%0.75774%0.744SS**  trans-118.642.2165.8-86.2-89.9000111.7K985Y983-K985 PolarHBondContact O-N 2.97Å
984E47.3Very low44.1Very low199 Ų199135.6 Ų135.693%0.9374%0.735SS**  trans-70.381.8146.9-77-166.4127.100108.1
985K44.3Very low45Very low176 Ų176130 Ų13077%0.76572%0.718SS**  trans-104.9108.9162.3-89.9-170.7172.1-177.70108.7Y983 Y987Y983-K985 PolarHBondContact O-N 2.97Å; K985-Y987 PolarHBondContact O-N 2.71Å
986T47Very low46.5Very low133 Ų133129.5 Ų129.582%0.81670%0.698SS**  trans-50.2120.8178.7-44.20000110.9Q988T986-Q988 PolarHBondContact O-N 3.3Å; T986-Q988 VanDerWaalsContact O-N 3.15Å
987Y45Very low47.9Very low193 Ų193129.4 Ų129.476%0.75768%0.683SS**  trans-63.3112.8178.6179-111.3000110.6K985 P989K985-Y987 PolarHBondContact O-N 2.71Å; Y987-P989 HydrophobicContact CD1-CG 3.91Å; Y987-P989 HydrophobicContact CE1-CB 3.89Å; Y987-P989 HydrophobicContact CE1-CG 3.64Å
988Q45Very low50.1Low145 Ų145122.2 Ų122.268%0.67867%0.668SS**  trans-100.4110.6166.7-70.9-154-5.500109.1T986 S990T986-Q988 PolarHBondContact O-N 3.3Å; T986-Q988 VanDerWaalsContact O-N 3.15Å; Q988-S990 PolarHBondContact O-N 3.25Å
989P51.2Low52Low95 Ų95118.5 Ų118.562%0.61765%0.653SS**G310 helixtrans-68.4-6.9-170.8-18.429000116Y987Y987-P989 HydrophobicContact CD1-CG 3.91Å; Y987-P989 HydrophobicContact CE1-CB 3.89Å; Y987-P989 HydrophobicContact CE1-CG 3.64Å
990S50.3Low53.8Low94 Ų94117.2 Ų117.266%0.65764%0.639SS**G310 helixtrans-98.74.7-15853.90000116.2Q988Q988-S990 PolarHBondContact O-N 3.25Å
991V50.8Low55.4Low120 Ų120118 Ų11873%0.72763%0.626SS**G310 helixtrans-107.11-175.8-146.80000113.4
992F48.3Very low58Low96 Ų96121.5 Ų121.542%0.42163%0.632SS.*  trans-108.156-169.1-144-90.1000113.6G994 H996 V997 L1000F992-G994 PolarHBondContact O-N 2.59Å; F992-H996 HydrophobicContact CD1-CB 4.44Å; F992-H996 HydrophobicContact CD2-CB 4.25Å; F992-H996 HydrophobicContact CE1-CB 3.86Å; F992-H996 HydrophobicContact CE2-CB 3.65Å; F992-H996 AromaticContact CE2-CD2 3.32Å; F992-H996 WeakPolarHBondContact CE2-CD2 3.42Å; F992-H996 AromaticContact CE2-CE1 3.97Å; F992-H996 AromaticContact CE2-CG 3.27Å; F992-H996 AromaticContact CE2-ND1 3.7Å; F992-H996 AromaticContact CE2-NE2 3.76Å; F992-H996 HydrophobicContact CZ-CB 3.42Å; F992-H996 VanDerWaalsContact CZ-CB 3.42Å; F992-H996 AromaticContact CZ-CD2 3.91Å; F992-H996 AromaticContact CZ-CG 3.34Å; F992-H996 AromaticContact CZ-ND1 3.54Å; F992-V997 HydrophobicContact CD1-CG2 4.04Å; F992-V997 HydrophobicContact CE1-CB 4.42Å; F992-V997 HydrophobicContact CE1-CG2 3.62Å; F992-L1000 HydrophobicContact CE2-CD1 4.5Å; F992-L1000 HydrophobicContact CZ-CD1 3.8Å
993T58.8Low59.8Low129 Ų129117.8 Ų117.879%0.79162%0.615SS**  trans-88.3103.2179.851.40000112.4S995T993-S995 PolarHBondContact O-N 3.23Å; T993-S995 VanDerWaalsContact O-N 3.09Å
994G58.4Low61.8Low54 Ų54113.5 Ų113.556%0.55761%0.605SS**SBendtrans81-85.4162.600000115.7F992 H996 V997F992-G994 PolarHBondContact O-N 2.59Å; G994-H996 PolarHBondContact O-N 3.09Å; G994-V997 PolarHBondContact O-N 3.24Å
995S57.4Low63.8Low78 Ų78108.8 Ų108.855%0.54558%0.583SS.*Hα-helixtrans-55.3-45.8-162.2-157.90000113.8T993 V997 S998 E999T993-S995 PolarHBondContact O-N 3.23Å; T993-S995 VanDerWaalsContact O-N 3.09Å; S995-V997 PolarHBondContact O-N 2.92Å; S995-V997 VanDerWaalsContact O-N 3.11Å; S995-S998 PolarHBondContact O-N 2.96Å; S995-E999 VanDerWaalsContact CB-OE1 3.29Å; S995-E999 WeakPolarHBondContact CB-OE1 3.13Å; S995-E999 PolarHBondContact O-N 3.4Å; S995-E999 PolarHBondContact OG-OE1 3.4Å
996H59.8Low66Low90 Ų90102.8 Ų102.842%0.41757%0.566SS.*Hα-helixtrans-68.3-15.9-170-160.6-19.8000113.4F992 G994 L1000F992-H996 HydrophobicContact CD1-CB 4.44Å; F992-H996 HydrophobicContact CD2-CB 4.25Å; F992-H996 HydrophobicContact CE1-CB 3.86Å; F992-H996 HydrophobicContact CE2-CB 3.65Å; F992-H996 AromaticContact CE2-CD2 3.32Å; F992-H996 WeakPolarHBondContact CE2-CD2 3.42Å; F992-H996 AromaticContact CE2-CE1 3.97Å; F992-H996 AromaticContact CE2-CG 3.27Å; F992-H996 AromaticContact CE2-ND1 3.7Å; F992-H996 AromaticContact CE2-NE2 3.76Å; F992-H996 HydrophobicContact CZ-CB 3.42Å; F992-H996 VanDerWaalsContact CZ-CB 3.42Å; F992-H996 AromaticContact CZ-CD2 3.91Å; F992-H996 AromaticContact CZ-CG 3.34Å; F992-H996 AromaticContact CZ-ND1 3.54Å; G994-H996 PolarHBondContact O-N 3.09Å; H996-L1000 WeakPolarHBondContact O-CB 3.49Å; H996-L1000 WeakPolarHBondContact O-CG 3.29Å; H996-L1000 PolarHBondContact O-N 3.18Å
997V66.9Low68.1Low63 Ų63101 Ų10138%0.38255%0.551SS.*Hα-helixtrans-67.3-48.5169.7-177.80000110.3F992 G994 S995 L1000 Q1001F992-V997 HydrophobicContact CD1-CG2 4.04Å; F992-V997 HydrophobicContact CE1-CB 4.42Å; F992-V997 HydrophobicContact CE1-CG2 3.62Å; G994-V997 PolarHBondContact O-N 3.24Å; S995-V997 PolarHBondContact O-N 2.92Å; S995-V997 VanDerWaalsContact O-N 3.11Å; V997-L1000 PolarHBondContact O-N 3.08Å; V997-Q1001 WeakPolarHBondContact O-CG 3.37Å; V997-Q1001 PolarHBondContact O-N 3.28Å
998S75.5Confident70.3Confident73 Ų7394.5 Ų94.551%0.5153%0.534SS..Hα-helixtrans-70.8-36-176.9-57.20000111.8S995 Q1001 Q1002S995-S998 PolarHBondContact O-N 2.96Å; S998-Q1001 PolarHBondContact O-N 3.46Å; S998-Q1002 WeakPolarHBondContact O-CB 3.49Å; S998-Q1002 PolarHBondContact O-N 3.44Å
999E75.4Confident72.6Confident97 Ų9794.3 Ų94.345%0.45353%0.527SS..Hα-helixtrans-61.7-47.4173-70.3158.9-134.500111.2S995 Q1001 Q1002 E1003S995-E999 VanDerWaalsContact CB-OE1 3.29Å; S995-E999 WeakPolarHBondContact CB-OE1 3.13Å; S995-E999 PolarHBondContact O-N 3.4Å; S995-E999 PolarHBondContact OG-OE1 3.4Å; E999-Q1001 VanDerWaalsContact C-N 3.32Å; E999-Q1001 PolarHBondContact O-N 2.93Å; E999-Q1002 PolarHBondContact O-N 3.34Å; E999-E1003 WeakPolarHBondContact O-CB 3.37Å; E999-E1003 PolarHBondContact O-N 3.01Å
1000L81.2Confident74.6Confident80 Ų8095 Ų9542%0.41952%0.522SS..Hα-helixtrans-65.7-32174.7-73.6177.6000112.9F992 H996 V997 N1004F992-L1000 HydrophobicContact CE2-CD1 4.5Å; F992-L1000 HydrophobicContact CZ-CD1 3.8Å; H996-L1000 WeakPolarHBondContact O-CB 3.49Å; H996-L1000 WeakPolarHBondContact O-CG 3.29Å; H996-L1000 PolarHBondContact O-N 3.18Å; V997-L1000 PolarHBondContact O-N 3.08Å; L1000-N1004 WeakPolarHBondContact O-CB 3.33Å; L1000-N1004 PolarHBondContact O-N 2.94Å
1001Q80Confident76.6Confident116 Ų11694.3 Ų94.354%0.54251%0.513SS..Hα-helixtrans-67.2-46.5173.2-76.3171.2-13.800111.1V997 S998 E999 E1003 N1004 E1005V997-Q1001 WeakPolarHBondContact O-CG 3.37Å; V997-Q1001 PolarHBondContact O-N 3.28Å; S998-Q1001 PolarHBondContact O-N 3.46Å; E999-Q1001 VanDerWaalsContact C-N 3.32Å; E999-Q1001 PolarHBondContact O-N 2.93Å; Q1001-E1003 PolarHBondContact O-N 2.78Å; Q1001-N1004 PolarHBondContact O-N 2.99Å; Q1001-E1005 WeakPolarHBondContact O-CG 3.17Å; Q1001-E1005 PolarHBondContact O-N 3.05Å
1002Q86.1Confident78.6Confident136 Ų13694 Ų9464%0.63650%0.504SS*.Hα-helixtrans-64.9-39177.9-171.1176.1900112.2S998 E999 A1006S998-Q1002 WeakPolarHBondContact O-CB 3.49Å; S998-Q1002 PolarHBondContact O-N 3.44Å; E999-Q1002 PolarHBondContact O-N 3.34Å; Q1002-A1006 WeakPolarHBondContact O-CB 3.21Å; Q1002-A1006 PolarHBondContact O-N 3.29Å
1003E85Confident80.9Confident114 Ų11493.4 Ų93.453%0.53351%0.505SS..Hα-helixtrans-66.7-43.6173.2-173.7175.6-155.500111.4E999 Q1001 E1005 A1006 L1007E999-E1003 WeakPolarHBondContact O-CB 3.37Å; E999-E1003 PolarHBondContact O-N 3.01Å; Q1001-E1003 PolarHBondContact O-N 2.78Å; E1003-E1005 PolarHBondContact O-N 3.33Å; E1003-A1006 WeakPolarHBondContact O-CB 3.49Å; E1003-A1006 PolarHBondContact O-N 2.99Å; E1003-A1006 VanDerWaalsContact O-N 3.12Å; E1003-L1007 HydrophobicContact CG-CD1 4.08Å; E1003-L1007 HydrophobicContact CG-CG 4.42Å; E1003-L1007 WeakPolarHBondContact O-CB 3.45Å; E1003-L1007 VanDerWaalsContact O-CG 3.31Å; E1003-L1007 WeakPolarHBondContact O-CG 3.5Å; E1003-L1007 PolarHBondContact O-N 3.44Å
1004N84.8Confident82.4Confident103 Ų10391.3 Ų91.355%0.55149%0.488SS*.Hα-helixtrans-64.8-36.9176.4-171.215.5000112L1000 Q1001 S1008L1000-N1004 WeakPolarHBondContact O-CB 3.33Å; L1000-N1004 PolarHBondContact O-N 2.94Å; Q1001-N1004 PolarHBondContact O-N 2.99Å; N1004-S1008 VanDerWaalsContact O-CB 3.28Å; N1004-S1008 WeakPolarHBondContact O-CB 3.36Å; N1004-S1008 PolarHBondContact O-N 3.32Å; N1004-S1008 PolarHBondContact O-OG 3.31Å
1005E89.1Confident84Confident99 Ų9993.7 Ų93.746%0.46349%0.485SS..Hα-helixtrans-65.3-40.7169.4-70.5-177.1-178.100112.3Q1001 E1003 S1008 R1009Q1001-E1005 WeakPolarHBondContact O-CG 3.17Å; Q1001-E1005 PolarHBondContact O-N 3.05Å; E1003-E1005 PolarHBondContact O-N 3.33Å; E1005-S1008 PolarHBondContact O-N 2.81Å; E1005-R1009 VanDerWaalsContact CB-NH1 3.26Å; E1005-R1009 VanDerWaalsContact O-CG 3.27Å; E1005-R1009 WeakPolarHBondContact O-CG 3.47Å; E1005-R1009 PolarHBondContact O-N 3.25Å; E1005-R1009 IonicContact OE2-CZ 3.39Å; E1005-R1009 IonicContact OE2-NH1 3.22Å; E1005-R1009 PolarHBondContact OE2-NH1 2.61Å; E1005-R1009 IonicContact OE2-NH2 2.69Å; E1005-R1009 PolarHBondContact OE2-NH2 2.99Å
1006A90.4Very high85.7Confident51 Ų5195.2 Ų95.242%0.42148%0.483SS..Hα-helixtrans-65-43.1177.100000111.7Q1002 E1003 R1009 H1010Q1002-A1006 WeakPolarHBondContact O-CB 3.21Å; Q1002-A1006 PolarHBondContact O-N 3.29Å; E1003-A1006 WeakPolarHBondContact O-CB 3.49Å; E1003-A1006 PolarHBondContact O-N 2.99Å; E1003-A1006 VanDerWaalsContact O-N 3.12Å; A1006-R1009 PolarHBondContact O-N 3.46Å; A1006-H1010 WeakPolarHBondContact O-CB 3.26Å; A1006-H1010 PolarHBondContact O-N 2.96Å
1007L91Very high87.3Confident95 Ų9595.1 Ų95.150%0.49748%0.483SS..Hα-helixtrans-62.8-40.7172.2-71.3169.8000111.4E1003 H1010 V1011E1003-L1007 HydrophobicContact CG-CD1 4.08Å; E1003-L1007 HydrophobicContact CG-CG 4.42Å; E1003-L1007 WeakPolarHBondContact O-CB 3.45Å; E1003-L1007 VanDerWaalsContact O-CG 3.31Å; E1003-L1007 WeakPolarHBondContact O-CG 3.5Å; E1003-L1007 PolarHBondContact O-N 3.44Å; L1007-H1010 PolarHBondContact O-N 3.16Å; L1007-V1011 WeakPolarHBondContact O-CB 3.48Å; L1007-V1011 WeakPolarHBondContact O-CG2 3.32Å; L1007-V1011 PolarHBondContact O-N 3.41Å
1008S90.6Very high88.2Confident57 Ų5794 Ų9440%0.39948%0.478SS..Hα-helixtrans-60.9-49.5175.1-63.10000111.3N1004 E1005 H1010 V1011 E1012N1004-S1008 VanDerWaalsContact O-CB 3.28Å; N1004-S1008 WeakPolarHBondContact O-CB 3.36Å; N1004-S1008 PolarHBondContact O-N 3.32Å; N1004-S1008 PolarHBondContact O-OG 3.31Å; E1005-S1008 PolarHBondContact O-N 2.81Å; S1008-H1010 VanDerWaalsContact C-N 3.27Å; S1008-H1010 PolarHBondContact O-N 3.12Å; S1008-V1011 PolarHBondContact O-N 2.87Å; S1008-E1012 WeakPolarHBondContact O-CG 3.32Å; S1008-E1012 PolarHBondContact O-N 2.86Å
1009R93.4Very high89Confident141 Ų14195.5 Ų95.553%0.53248%0.476SS..Hα-helixtrans-58.2-38.2173.5-67.7166.6-171.1117.75.4112.1E1005 A1006 E1012 L1013E1005-R1009 VanDerWaalsContact CB-NH1 3.26Å; E1005-R1009 VanDerWaalsContact O-CG 3.27Å; E1005-R1009 WeakPolarHBondContact O-CG 3.47Å; E1005-R1009 PolarHBondContact O-N 3.25Å; E1005-R1009 IonicContact OE2-CZ 3.39Å; E1005-R1009 IonicContact OE2-NH1 3.22Å; E1005-R1009 PolarHBondContact OE2-NH1 2.61Å; E1005-R1009 IonicContact OE2-NH2 2.69Å; E1005-R1009 PolarHBondContact OE2-NH2 2.99Å; A1006-R1009 PolarHBondContact O-N 3.46Å; R1009-E1012 PolarHBondContact O-N 3.3Å; R1009-L1013 WeakPolarHBondContact O-CB 3.45Å; R1009-L1013 PolarHBondContact O-N 3.25Å
1010H93.4Very high89.8Confident110 Ų11096 Ų9651%0.50948%0.478SS..Hα-helixtrans-71.8-38.8179.3-160.445.5000112.2A1006 L1007 S1008 L1013 L1014A1006-H1010 WeakPolarHBondContact O-CB 3.26Å; A1006-H1010 PolarHBondContact O-N 2.96Å; L1007-H1010 PolarHBondContact O-N 3.16Å; S1008-H1010 VanDerWaalsContact C-N 3.27Å; S1008-H1010 PolarHBondContact O-N 3.12Å; H1010-L1013 PolarHBondContact O-N 3.29Å; H1010-L1014 WeakPolarHBondContact O-CB 3.43Å; H1010-L1014 VanDerWaalsContact O-CG 3.3Å; H1010-L1014 WeakPolarHBondContact O-CG 3.47Å; H1010-L1014 PolarHBondContact O-N 3.07Å
1011V92.2Very high90.3Very high78 Ų7897.3 Ų97.347%0.47348%0.482SS..Hα-helixtrans-65.6-39.6171.9168.90000111.3L1007 S1008 Q1015L1007-V1011 WeakPolarHBondContact O-CB 3.48Å; L1007-V1011 WeakPolarHBondContact O-CG2 3.32Å; L1007-V1011 PolarHBondContact O-N 3.41Å; S1008-V1011 PolarHBondContact O-N 2.87Å; V1011-Q1015 WeakPolarHBondContact O-CB 3.41Å; V1011-Q1015 WeakPolarHBondContact O-CG 3.16Å; V1011-Q1015 PolarHBondContact O-N 2.85Å
1012E93.1Very high90.9Very high114 Ų11497 Ų9753%0.53348%0.479SS..Hα-helixtrans-61.6-43.8172.7-75177.9165.800111.9S1008 R1009 Q1015 Q1016S1008-E1012 WeakPolarHBondContact O-CG 3.32Å; S1008-E1012 PolarHBondContact O-N 2.86Å; R1009-E1012 PolarHBondContact O-N 3.3Å; E1012-Q1015 WeakPolarHBondContact O-CB 3.49Å; E1012-Q1015 PolarHBondContact O-N 3Å; E1012-Q1016 WeakPolarHBondContact O-CG 3.38Å; E1012-Q1016 PolarHBondContact O-N 2.91Å
1013L95.6Very high91.3Very high83 Ų8396 Ų9644%0.43547%0.474SS..Hα-helixtrans-68-42.7179-163.8153.9000111.7R1009 H1010 Q1015 Q1016 Q1017R1009-L1013 WeakPolarHBondContact O-CB 3.45Å; R1009-L1013 PolarHBondContact O-N 3.25Å; H1010-L1013 PolarHBondContact O-N 3.29Å; L1013-Q1015 VanDerWaalsContact C-N 3.31Å; L1013-Q1015 PolarHBondContact O-N 2.8Å; L1013-Q1016 WeakPolarHBondContact O-CB 3.34Å; L1013-Q1016 PolarHBondContact O-N 3.37Å; L1013-Q1016 VanDerWaalsContact O-N 3.1Å; L1013-Q1017 HydrophobicContact CD2-CG 4.15Å; L1013-Q1017 PolarHBondContact O-N 2.9Å
1014L92Very high91.8Very high85 Ų8596.5 Ų96.545%0.44548%0.476SS..Hα-helixtrans-63.3-35.2171.6-73.4166.9000112.1H1010 S1018H1010-L1014 WeakPolarHBondContact O-CB 3.43Å; H1010-L1014 VanDerWaalsContact O-CG 3.3Å; H1010-L1014 WeakPolarHBondContact O-CG 3.47Å; H1010-L1014 PolarHBondContact O-N 3.07Å; L1014-S1018 VanDerWaalsContact O-CB 3.26Å; L1014-S1018 WeakPolarHBondContact O-CB 3.37Å; L1014-S1018 PolarHBondContact O-N 3.15Å
1015Q91.5Very high92.2Very high104 Ų10497.3 Ų97.349%0.48648%0.48SS..Hα-helixtrans-67.6-33.9171-81.2-168.527.900112.7V1011 E1012 L1013 K1019V1011-Q1015 WeakPolarHBondContact O-CB 3.41Å; V1011-Q1015 WeakPolarHBondContact O-CG 3.16Å; V1011-Q1015 PolarHBondContact O-N 2.85Å; E1012-Q1015 WeakPolarHBondContact O-CB 3.49Å; E1012-Q1015 PolarHBondContact O-N 3Å; L1013-Q1015 VanDerWaalsContact C-N 3.31Å; L1013-Q1015 PolarHBondContact O-N 2.8Å; Q1015-K1019 WeakPolarHBondContact O-CB 3.42Å; Q1015-K1019 WeakPolarHBondContact O-CD 3.39Å; Q1015-K1019 WeakPolarHBondContact O-CG 3.14Å; Q1015-K1019 PolarHBondContact O-N 3.39Å; Q1015-K1019 VanDerWaalsContact O-N 3.07Å
1016Q92.9Very high92.4Very high110 Ų11098.6 Ų98.651%0.51448%0.484SS..Hα-helixtrans-69.6-48.2175-72.3173.631.600110.9E1012 L1013 S1018 K1019 Q1020E1012-Q1016 WeakPolarHBondContact O-CG 3.38Å; E1012-Q1016 PolarHBondContact O-N 2.91Å; L1013-Q1016 WeakPolarHBondContact O-CB 3.34Å; L1013-Q1016 PolarHBondContact O-N 3.37Å; L1013-Q1016 VanDerWaalsContact O-N 3.1Å; Q1016-S1018 PolarHBondContact O-N 2.75Å; Q1016-K1019 WeakPolarHBondContact O-CB 3.37Å; Q1016-K1019 PolarHBondContact O-N 3.45Å; Q1016-Q1020 WeakPolarHBondContact O-CG 3.41Å; Q1016-Q1020 PolarHBondContact O-N 3.17Å
1017Q93Very high92.6Very high88 Ų8898.9 Ų98.941%0.41149%0.486SS..Hα-helixtrans-56.2-49.2173.3-72.5176.1-30.300111.1L1013 K1019 Q1020 E1021L1013-Q1017 HydrophobicContact CD2-CG 4.15Å; L1013-Q1017 PolarHBondContact O-N 2.9Å; Q1017-K1019 PolarHBondContact O-N 3.36Å; Q1017-K1019 VanDerWaalsContact O-N 3.16Å; Q1017-Q1020 WeakPolarHBondContact O-CB 3.19Å; Q1017-Q1020 PolarHBondContact O-N 3Å; Q1017-Q1020 VanDerWaalsContact O-N 3.08Å; Q1017-E1021 WeakPolarHBondContact O-CG 3.42Å; Q1017-E1021 PolarHBondContact O-N 3.5Å
1018S85.5Confident92.7Very high40 Ų4098.7 Ų98.728%0.2849%0.486SS..Hα-helixtrans-73.2-5.2178.6-153.10000114.4L1014 Q1016 K1022L1014-S1018 VanDerWaalsContact O-CB 3.26Å; L1014-S1018 WeakPolarHBondContact O-CB 3.37Å; L1014-S1018 PolarHBondContact O-N 3.15Å; Q1016-S1018 PolarHBondContact O-N 2.75Å; S1018-K1022 VanDerWaalsContact O-CD 3.27Å; S1018-K1022 WeakPolarHBondContact O-CD 3.36Å; S1018-K1022 WeakPolarHBondContact O-CG 3.15Å; S1018-K1022 PolarHBondContact O-NZ 3Å; S1018-K1022 PolarHBondContact OG-NZ 3.41Å
1019K92Very high92.7Very high105 Ų10598.1 Ų98.146%0.45748%0.484SS..Hα-helixtrans-85.7-46.9163.5-74.7158.4-166.1164.20109.9Q1015 Q1016 Q1017 K1022 E1023Q1015-K1019 WeakPolarHBondContact O-CB 3.42Å; Q1015-K1019 WeakPolarHBondContact O-CD 3.39Å; Q1015-K1019 WeakPolarHBondContact O-CG 3.14Å; Q1015-K1019 PolarHBondContact O-N 3.39Å; Q1015-K1019 VanDerWaalsContact O-N 3.07Å; Q1016-K1019 WeakPolarHBondContact O-CB 3.37Å; Q1016-K1019 PolarHBondContact O-N 3.45Å; Q1017-K1019 PolarHBondContact O-N 3.36Å; Q1017-K1019 VanDerWaalsContact O-N 3.16Å; K1019-K1022 CarbonylContact O-C 3.57Å; K1019-K1022 WeakPolarHBondContact O-CB 3.37Å; K1019-K1022 PolarHBondContact O-N 2.66Å; K1019-K1022 VanDerWaalsContact O-N 3.13Å; K1019-E1023 WeakPolarHBondContact O-CG 3.21Å; K1019-E1023 PolarHBondContact O-N 3.38Å
1020Q93.6Very high92.8Very high108 Ų10894.7 Ų94.751%0.50548%0.479SS..Hα-helixtrans-57.2-52.1176.3-70.4169-32.700112Q1016 Q1017 K1022 E1023 E1024Q1016-Q1020 WeakPolarHBondContact O-CG 3.41Å; Q1016-Q1020 PolarHBondContact O-N 3.17Å; Q1017-Q1020 WeakPolarHBondContact O-CB 3.19Å; Q1017-Q1020 PolarHBondContact O-N 3Å; Q1017-Q1020 VanDerWaalsContact O-N 3.08Å; Q1020-K1022 PolarHBondContact O-N 2.94Å; Q1020-E1023 CarbonylContact O-C 3.6Å; Q1020-E1023 WeakPolarHBondContact O-CA 3.36Å; Q1020-E1023 PolarHBondContact O-N 2.91Å; Q1020-E1024 PolarHBondContact O-N 2.8Å
1021E91.9Very high92.8Very high107 Ų10794.3 Ų94.350%0.548%0.477SS..Hα-helixtrans-54.5-40.3174.3-68.4172.115600112.3Q1017 E1023 L1025Q1017-E1021 WeakPolarHBondContact O-CG 3.42Å; Q1017-E1021 PolarHBondContact O-N 3.5Å; E1021-E1023 VanDerWaalsContact C-N 3.28Å; E1021-E1023 PolarHBondContact O-N 2.89Å; E1021-L1025 VanDerWaalsContact O-CB 3.26Å; E1021-L1025 WeakPolarHBondContact O-CB 3.09Å; E1021-L1025 WeakPolarHBondContact O-CG 3.35Å; E1021-L1025 PolarHBondContact O-N 2.72Å
1022K91.5Very high92.8Very high109 Ų10993.3 Ų93.347%0.47448%0.477SS..Hα-helixtrans-73.9-18.3177.6-72.4-177.1-167.886.70112.8S1018 K1019 Q1020 K1026S1018-K1022 VanDerWaalsContact O-CD 3.27Å; S1018-K1022 WeakPolarHBondContact O-CD 3.36Å; S1018-K1022 WeakPolarHBondContact O-CG 3.15Å; S1018-K1022 PolarHBondContact O-NZ 3Å; S1018-K1022 PolarHBondContact OG-NZ 3.41Å; K1019-K1022 CarbonylContact O-C 3.57Å; K1019-K1022 WeakPolarHBondContact O-CB 3.37Å; K1019-K1022 PolarHBondContact O-N 2.66Å; K1019-K1022 VanDerWaalsContact O-N 3.13Å; Q1020-K1022 PolarHBondContact O-N 2.94Å; K1022-K1026 WeakPolarHBondContact O-CD 3.05Å; K1022-K1026 WeakPolarHBondContact O-CE 3.24Å; K1022-K1026 WeakPolarHBondContact O-CG 3.48Å; K1022-K1026 PolarHBondContact O-N 2.81Å
1023E94Very high92.8Very high116 Ų11694.1 Ų94.154%0.54248%0.479SS..Hα-helixtrans-88.9-41.2175.5-77.1162.7-162.400110.7K1019 Q1020 E1021 K1026 A1027K1019-E1023 WeakPolarHBondContact O-CG 3.21Å; K1019-E1023 PolarHBondContact O-N 3.38Å; Q1020-E1023 CarbonylContact O-C 3.6Å; Q1020-E1023 WeakPolarHBondContact O-CA 3.36Å; Q1020-E1023 PolarHBondContact O-N 2.91Å; E1021-E1023 VanDerWaalsContact C-N 3.28Å; E1021-E1023 PolarHBondContact O-N 2.89Å; E1023-K1026 WeakPolarHBondContact O-CB 3.34Å; E1023-K1026 PolarHBondContact O-N 3.31Å; E1023-A1027 WeakPolarHBondContact O-CB 3.3Å; E1023-A1027 PolarHBondContact O-N 3.36Å
1024E95.4Very high92.7Very high123 Ų12395.6 Ų95.658%0.57548%0.484SS*.Hα-helixtrans-59.7-48168.8-69.5178.7-176.500111.8Q1020 K1026 A1027 N1028Q1020-E1024 PolarHBondContact O-N 2.8Å; E1024-K1026 VanDerWaalsContact C-N 3.26Å; E1024-K1026 PolarHBondContact O-N 3.1Å; E1024-A1027 PolarHBondContact O-N 2.83Å; E1024-A1027 VanDerWaalsContact O-N 3.15Å; E1024-N1028 WeakPolarHBondContact O-CB 3.36Å; E1024-N1028 VanDerWaalsContact O-CG 3.25Å; E1024-N1028 PolarHBondContact O-N 2.8Å; E1024-N1028 PolarHBondContact O-ND2 3.33Å
1025L93.7Very high92.9Very high120 Ų12096.2 Ų96.263%0.62849%0.485SS*.Hα-helixtrans-63.6-30.3175.7-73.3171.4000112.6E1021 A1029E1021-L1025 VanDerWaalsContact O-CB 3.26Å; E1021-L1025 WeakPolarHBondContact O-CB 3.09Å; E1021-L1025 WeakPolarHBondContact O-CG 3.35Å; E1021-L1025 PolarHBondContact O-N 2.72Å; L1025-A1029 WeakPolarHBondContact O-CB 3.16Å; L1025-A1029 PolarHBondContact O-N 2.75Å
1026K93.1Very high93Very high126 Ų12695.7 Ų95.755%0.54849%0.485SS..Hα-helixtrans-70.6-44.1171.3-76.1163.9-157.9158.70111.3K1022 E1023 E1024 A1029 V1030K1022-K1026 WeakPolarHBondContact O-CD 3.05Å; K1022-K1026 WeakPolarHBondContact O-CE 3.24Å; K1022-K1026 WeakPolarHBondContact O-CG 3.48Å; K1022-K1026 PolarHBondContact O-N 2.81Å; E1023-K1026 WeakPolarHBondContact O-CB 3.34Å; E1023-K1026 PolarHBondContact O-N 3.31Å; E1024-K1026 VanDerWaalsContact C-N 3.26Å; E1024-K1026 PolarHBondContact O-N 3.1Å; K1026-A1029 CarbonylContact O-C 3.55Å; K1026-A1029 PolarHBondContact O-N 3.1Å; K1026-V1030 WeakPolarHBondContact O-CG2 3.32Å; K1026-V1030 PolarHBondContact O-N 3.37Å
1027A94.4Very high93Very high57 Ų5793.4 Ų93.447%0.47148%0.48SS..Hα-helixtrans-61.5-49.5178.200000111.1E1023 E1024 A1029 V1030 Q1031E1023-A1027 WeakPolarHBondContact O-CB 3.3Å; E1023-A1027 PolarHBondContact O-N 3.36Å; E1024-A1027 PolarHBondContact O-N 2.83Å; E1024-A1027 VanDerWaalsContact O-N 3.15Å; A1027-A1029 VanDerWaalsContact C-N 3.3Å; A1027-A1029 PolarHBondContact O-N 3.21Å; A1027-V1030 WeakPolarHBondContact O-CA 3.42Å; A1027-V1030 WeakPolarHBondContact O-CB 3.42Å; A1027-V1030 PolarHBondContact O-N 2.66Å; A1027-Q1031 PolarHBondContact O-N 3.04Å
1028N93.9Very high93.2Very high92 Ų9297.2 Ų97.249%0.49249%0.49SS..Hα-helixtrans-59.3-40174.4-66.7-23.6000111.6E1024 V1030 A1032E1024-N1028 WeakPolarHBondContact O-CB 3.36Å; E1024-N1028 VanDerWaalsContact O-CG 3.25Å; E1024-N1028 PolarHBondContact O-N 2.8Å; E1024-N1028 PolarHBondContact O-ND2 3.33Å; N1028-V1030 VanDerWaalsContact C-N 3.26Å; N1028-V1030 PolarHBondContact O-N 2.65Å; N1028-A1032 VanDerWaalsContact O-CB 3.28Å; N1028-A1032 WeakPolarHBondContact O-CB 3.46Å; N1028-A1032 PolarHBondContact O-N 3.3Å
1029A91Very high93.7Very high44 Ų4499.4 Ų99.436%0.36450%0.499SS..Hα-helixtrans-77-3.5174.800000114.7L1025 K1026 A1027 K1033L1025-A1029 WeakPolarHBondContact O-CB 3.16Å; L1025-A1029 PolarHBondContact O-N 2.75Å; K1026-A1029 CarbonylContact O-C 3.55Å; K1026-A1029 PolarHBondContact O-N 3.1Å; A1027-A1029 VanDerWaalsContact C-N 3.3Å; A1027-A1029 PolarHBondContact O-N 3.21Å; A1029-K1033 VanDerWaalsContact O-CD 3.25Å; A1029-K1033 WeakPolarHBondContact O-CD 3.43Å; A1029-K1033 WeakPolarHBondContact O-CE 3.46Å; A1029-K1033 VanDerWaalsContact O-CG 3.32Å; A1029-K1033 WeakPolarHBondContact O-CG 3.21Å; A1029-K1033 PolarHBondContact O-NZ 2.68Å
1030V94.5Very high93.8Very high70 Ų70100.5 Ų100.542%0.42450%0.503SS..Hα-helixtrans-93.3-51.6166.1166.40000108.9K1026 A1027 N1028 A1032 K1033 E1034K1026-V1030 WeakPolarHBondContact O-CG2 3.32Å; K1026-V1030 PolarHBondContact O-N 3.37Å; A1027-V1030 WeakPolarHBondContact O-CA 3.42Å; A1027-V1030 WeakPolarHBondContact O-CB 3.42Å; A1027-V1030 PolarHBondContact O-N 2.66Å; N1028-V1030 VanDerWaalsContact C-N 3.26Å; N1028-V1030 PolarHBondContact O-N 2.65Å; V1030-A1032 VanDerWaalsContact C-N 3.34Å; V1030-A1032 PolarHBondContact O-N 3.02Å; V1030-K1033 WeakPolarHBondContact O-CA 3.25Å; V1030-K1033 WeakPolarHBondContact O-CB 3.4Å; V1030-K1033 PolarHBondContact O-N 3.08Å; V1030-E1034 HydrophobicContact CG1-CG 4.41Å; V1030-E1034 VanDerWaalsContact CG1-OE1 3.29Å; V1030-E1034 WeakPolarHBondContact CG1-OE1 3.35Å; V1030-E1034 PolarHBondContact O-N 2.99Å
1031Q93.9Very high93.8Very high101 Ų101101 Ų10147%0.47251%0.506SS..Hα-helixtrans-53.5-48176.2-177.8-178.2-2100112A1027 K1033 E1034 E1035A1027-Q1031 PolarHBondContact O-N 3.04Å; Q1031-K1033 PolarHBondContact O-N 3.48Å; Q1031-K1033 VanDerWaalsContact O-N 3.15Å; Q1031-E1034 PolarHBondContact O-N 3.38Å; Q1031-E1035 HydrophobicContact CG-CG 4.46Å; Q1031-E1035 WeakPolarHBondContact CG-OE1 3.28Å; Q1031-E1035 PolarHBondContact NE2-OE1 2.7Å; Q1031-E1035 PolarHBondContact O-N 3.25Å
1032A92.2Very high93.9Very high57 Ų57100.2 Ų100.247%0.47150%0.502SS..Hα-helixtrans-64.3-19.7177.900000113.8N1028 V1030 L1036N1028-A1032 VanDerWaalsContact O-CB 3.28Å; N1028-A1032 WeakPolarHBondContact O-CB 3.46Å; N1028-A1032 PolarHBondContact O-N 3.3Å; V1030-A1032 VanDerWaalsContact C-N 3.34Å; V1030-A1032 PolarHBondContact O-N 3.02Å; A1032-L1036 WeakPolarHBondContact O-CB 3.06Å; A1032-L1036 PolarHBondContact O-N 2.75Å
1033K92.7Very high94Very high131 Ų131100.8 Ų100.857%0.5751%0.505SS*.Hα-helixtrans-83.5-37.6170.5-67.7175.2-171.2122.90111.5A1029 V1030 Q1031 L1036 C1037A1029-K1033 VanDerWaalsContact O-CD 3.25Å; A1029-K1033 WeakPolarHBondContact O-CD 3.43Å; A1029-K1033 WeakPolarHBondContact O-CE 3.46Å; A1029-K1033 VanDerWaalsContact O-CG 3.32Å; A1029-K1033 WeakPolarHBondContact O-CG 3.21Å; A1029-K1033 PolarHBondContact O-NZ 2.68Å; V1030-K1033 WeakPolarHBondContact O-CA 3.25Å; V1030-K1033 WeakPolarHBondContact O-CB 3.4Å; V1030-K1033 PolarHBondContact O-N 3.08Å; Q1031-K1033 PolarHBondContact O-N 3.48Å; Q1031-K1033 VanDerWaalsContact O-N 3.15Å; K1033-L1036 CarbonylContact O-C 3.58Å; K1033-L1036 PolarHBondContact O-N 2.99Å; K1033-C1037 WeakPolarHBondContact O-CB 3.35Å; K1033-C1037 PolarHBondContact O-N 2.87Å; K1033-C1037 PolarHBondContact O-SG 2.78Å
1034E94.3Very high94.1Very high115 Ų11598 Ų9854%0.53750%0.501SS..Hα-helixtrans-65.3-45176.9-69.1174.9-177.700111.4V1030 Q1031 L1036 C1037 R1038V1030-E1034 HydrophobicContact CG1-CG 4.41Å; V1030-E1034 VanDerWaalsContact CG1-OE1 3.29Å; V1030-E1034 WeakPolarHBondContact CG1-OE1 3.35Å; V1030-E1034 PolarHBondContact O-N 2.99Å; Q1031-E1034 PolarHBondContact O-N 3.38Å; E1034-L1036 VanDerWaalsContact C-N 3.35Å; E1034-L1036 PolarHBondContact O-N 2.92Å; E1034-C1037 PolarHBondContact O-N 2.75Å; E1034-R1038 PolarHBondContact O-N 3.38Å
1035E95.3Very high94Very high98 Ų9898.7 Ų98.746%0.45850%0.504SS..Hα-helixtrans-60.6-42.5172.4-70.1174.9-167.600111.8Q1031 C1037 R1038 L1039Q1031-E1035 HydrophobicContact CG-CG 4.46Å; Q1031-E1035 WeakPolarHBondContact CG-OE1 3.28Å; Q1031-E1035 PolarHBondContact NE2-OE1 2.7Å; Q1031-E1035 PolarHBondContact O-N 3.25Å; E1035-C1037 VanDerWaalsContact C-N 3.3Å; E1035-C1037 PolarHBondContact O-N 2.81Å; E1035-R1038 PolarHBondContact O-N 3.46Å; E1035-L1039 WeakPolarHBondContact O-CG 3Å; E1035-L1039 PolarHBondContact O-N 2.79Å
1036L93.4Very high94.1Very high93 Ų9398 Ų9849%0.48750%0.498SS..Hα-helixtrans-71.4-21.9177.5-173.2146.7000113.2A1032 K1033 E1034 K1040A1032-L1036 WeakPolarHBondContact O-CB 3.06Å; A1032-L1036 PolarHBondContact O-N 2.75Å; K1033-L1036 CarbonylContact O-C 3.58Å; K1033-L1036 PolarHBondContact O-N 2.99Å; E1034-L1036 VanDerWaalsContact C-N 3.35Å; E1034-L1036 PolarHBondContact O-N 2.92Å; L1036-K1040 HydrophobicContact CD2-CD 4.26Å; L1036-K1040 VanDerWaalsContact CD2-CE 3.49Å; L1036-K1040 WeakPolarHBondContact O-CD 3.44Å; L1036-K1040 VanDerWaalsContact O-CG 3.27Å; L1036-K1040 WeakPolarHBondContact O-CG 3.35Å
1037C93.9Very high94.2Very high61 Ų6197 Ų9741%0.41250%0.498SS..Hα-helixtrans-76.8-48.5167.7-75.60000111.2K1033 E1034 E1035 L1039 K1040 E1041K1033-C1037 WeakPolarHBondContact O-CB 3.35Å; K1033-C1037 PolarHBondContact O-N 2.87Å; K1033-C1037 PolarHBondContact O-SG 2.78Å; E1034-C1037 PolarHBondContact O-N 2.75Å; E1035-C1037 VanDerWaalsContact C-N 3.3Å; E1035-C1037 PolarHBondContact O-N 2.81Å; C1037-L1039 PolarHBondContact O-N 3.46Å; C1037-K1040 WeakPolarHBondContact O-CA 3.44Å; C1037-K1040 WeakPolarHBondContact O-CB 3.45Å; C1037-K1040 PolarHBondContact O-N 3.31Å; C1037-E1041 PolarHBondContact O-N 3.37Å
1038R96.7Very high94.2Very high168 Ų16897.9 Ų97.963%0.63450%0.501SS*.Hα-helixtrans-54.1-49.4176.3-77.4-177.4173.7174.30.2112.3E1034 E1035 K1040 E1041 E1042E1034-R1038 PolarHBondContact O-N 3.38Å; E1035-R1038 PolarHBondContact O-N 3.46Å; R1038-K1040 PolarHBondContact O-N 3.06Å; R1038-E1041 WeakPolarHBondContact O-CB 3.46Å; R1038-E1041 PolarHBondContact O-N 3.04Å; R1038-E1042 WeakPolarHBondContact O-CG 3.24Å; R1038-E1042 PolarHBondContact O-N 3.27Å
1039L95.6Very high94.3Very high86 Ų8697.3 Ų97.345%0.4550%0.503SS..Hα-helixtrans-59.3-34.6176.8-72.8169.4000112.6E1035 C1037 F1043E1035-L1039 WeakPolarHBondContact O-CG 3Å; E1035-L1039 PolarHBondContact O-N 2.79Å; C1037-L1039 PolarHBondContact O-N 3.46Å; L1039-F1043 HydrophobicContact CB-CE2 4.49Å; L1039-F1043 WeakPolarHBondContact O-CB 3.32Å; L1039-F1043 WeakPolarHBondContact O-CD2 3.33Å; L1039-F1043 WeakPolarHBondContact O-CG 3.35Å; L1039-F1043 PolarHBondContact O-N 3.42Å
1040K93.8Very high94.5Very high128 Ų128100.1 Ų100.156%0.55752%0.516SS*.Hα-helixtrans-71.6-35.9175-75.1170.2-179172.10112.6L1036 C1037 R1038 A1044L1036-K1040 HydrophobicContact CD2-CD 4.26Å; L1036-K1040 VanDerWaalsContact CD2-CE 3.49Å; L1036-K1040 WeakPolarHBondContact O-CD 3.44Å; L1036-K1040 VanDerWaalsContact O-CG 3.27Å; L1036-K1040 WeakPolarHBondContact O-CG 3.35Å; C1037-K1040 WeakPolarHBondContact O-CA 3.44Å; C1037-K1040 WeakPolarHBondContact O-CB 3.45Å; C1037-K1040 PolarHBondContact O-N 3.31Å; R1038-K1040 PolarHBondContact O-N 3.06Å; K1040-A1044 VanDerWaalsContact O-CB 3.24Å; K1040-A1044 WeakPolarHBondContact O-CB 3.45Å; K1040-A1044 PolarHBondContact O-N 2.81Å
1041E94.3Very high94.6Very high118 Ų118103.1 Ų103.155%0.55152%0.523SS*.Hα-helixtrans-67.5-48.6175.4-71.3163.6176.500109.6C1037 R1038 F1043 A1044 E1045C1037-E1041 PolarHBondContact O-N 3.37Å; R1038-E1041 WeakPolarHBondContact O-CB 3.46Å; R1038-E1041 PolarHBondContact O-N 3.04Å; E1041-F1043 PolarHBondContact O-N 3.04Å; E1041-A1044 CarbonylContact O-C 3.6Å; E1041-A1044 WeakPolarHBondContact O-CA 3.26Å; E1041-A1044 WeakPolarHBondContact O-CB 3.39Å; E1041-A1044 PolarHBondContact O-N 3.27Å; E1041-E1045 WeakPolarHBondContact O-CG 3.36Å; E1041-E1045 PolarHBondContact O-N 3.41Å
1042E94.8Very high94.7Very high92 Ų92100.8 Ų100.843%0.4352%0.521SS..Hα-helixtrans-55.4-47.3173.1-70.4168.9-153.300112.6R1038 A1044 E1045 Q1046R1038-E1042 WeakPolarHBondContact O-CG 3.24Å; R1038-E1042 PolarHBondContact O-N 3.27Å; E1042-A1044 VanDerWaalsContact C-N 3.34Å; E1042-A1044 PolarHBondContact O-N 2.9Å; E1042-E1045 PolarHBondContact O-N 3.37Å; E1042-Q1046 WeakPolarHBondContact O-CB 3.47Å; E1042-Q1046 VanDerWaalsContact O-CG 3.24Å; E1042-Q1046 WeakPolarHBondContact O-CG 3.19Å; E1042-Q1046 PolarHBondContact O-N 3.05Å
1043F93.9Very high94.7Very high121 Ų121101.8 Ų101.853%0.53152%0.516SS..Hα-helixtrans-67.3-32175.7-72.8-50.5000113L1039 E1041 L1047L1039-F1043 HydrophobicContact CB-CE2 4.49Å; L1039-F1043 WeakPolarHBondContact O-CB 3.32Å; L1039-F1043 WeakPolarHBondContact O-CD2 3.33Å; L1039-F1043 WeakPolarHBondContact O-CG 3.35Å; L1039-F1043 PolarHBondContact O-N 3.42Å; E1041-F1043 PolarHBondContact O-N 3.04Å; F1043-L1047 WeakPolarHBondContact O-CB 3.16Å; F1043-L1047 WeakPolarHBondContact O-CG 3.42Å; F1043-L1047 PolarHBondContact O-N 3.25Å
1044A94.8Very high94.9Very high56 Ų56101 Ų10146%0.46351%0.514SS..Hα-helixtrans-71.1-39.1175.100000111.8K1040 E1041 E1042 L1047 S1048K1040-A1044 VanDerWaalsContact O-CB 3.24Å; K1040-A1044 WeakPolarHBondContact O-CB 3.45Å; K1040-A1044 PolarHBondContact O-N 2.81Å; E1041-A1044 CarbonylContact O-C 3.6Å; E1041-A1044 WeakPolarHBondContact O-CA 3.26Å; E1041-A1044 WeakPolarHBondContact O-CB 3.39Å; E1041-A1044 PolarHBondContact O-N 3.27Å; E1042-A1044 VanDerWaalsContact C-N 3.34Å; E1042-A1044 PolarHBondContact O-N 2.9Å; A1044-L1047 PolarHBondContact O-N 2.82Å; A1044-S1048 WeakPolarHBondContact O-CB 3.46Å; A1044-S1048 PolarHBondContact O-N 3.2Å
1045E94.4Very high95Very high138 Ų138100.3 Ų100.365%0.64551%0.514SS*.Hα-helixtrans-65.8-44.4173.7-73.2-176.1173.600111.6E1041 E1042 L1047 S1048 C1049E1041-E1045 WeakPolarHBondContact O-CG 3.36Å; E1041-E1045 PolarHBondContact O-N 3.41Å; E1042-E1045 PolarHBondContact O-N 3.37Å; E1045-L1047 PolarHBondContact O-N 2.99Å; E1045-S1048 WeakPolarHBondContact O-CB 3.25Å; E1045-S1048 PolarHBondContact O-N 2.87Å; E1045-S1048 VanDerWaalsContact O-N 3.1Å; E1045-C1049 WeakPolarHBondContact O-CB 3.43Å; E1045-C1049 PolarHBondContact O-N 2.92Å
1046Q95.3Very high95Very high106 Ų106101.9 Ų101.950%0.49552%0.516SS..Hα-helixtrans-58.6-45.7172.3-71.8169.527.200111.5E1042 S1048 C1049 V1050E1042-Q1046 WeakPolarHBondContact O-CB 3.47Å; E1042-Q1046 VanDerWaalsContact O-CG 3.24Å; E1042-Q1046 WeakPolarHBondContact O-CG 3.19Å; E1042-Q1046 PolarHBondContact O-N 3.05Å; Q1046-S1048 VanDerWaalsContact C-N 3.29Å; Q1046-S1048 PolarHBondContact O-N 2.72Å; Q1046-C1049 PolarHBondContact O-N 2.97Å; Q1046-V1050 WeakPolarHBondContact O-CG2 3.39Å; Q1046-V1050 PolarHBondContact O-N 3.09Å
1047L94.6Very high95.2Very high105 Ų105101.1 Ų101.155%0.5552%0.515SS..Hα-helixtrans-64.3-30.8174.5-85.6164.8000113.2F1043 A1044 E1045 K1051F1043-L1047 WeakPolarHBondContact O-CB 3.16Å; F1043-L1047 WeakPolarHBondContact O-CG 3.42Å; F1043-L1047 PolarHBondContact O-N 3.25Å; A1044-L1047 PolarHBondContact O-N 2.82Å; E1045-L1047 PolarHBondContact O-N 2.99Å; L1047-K1051 WeakPolarHBondContact O-CB 3.13Å; L1047-K1051 VanDerWaalsContact O-CD 3.25Å; L1047-K1051 WeakPolarHBondContact O-CD 3.21Å; L1047-K1051 WeakPolarHBondContact O-CG 3.39Å; L1047-K1051 PolarHBondContact O-N 3.36Å
1048S94.9Very high95.3Very high76 Ų76101.5 Ų101.553%0.53151%0.512SS..Hα-helixtrans-72.2-47.8175.2-164.70000111A1044 E1045 Q1046 V1050 K1051 A1052A1044-S1048 WeakPolarHBondContact O-CB 3.46Å; A1044-S1048 PolarHBondContact O-N 3.2Å; E1045-S1048 WeakPolarHBondContact O-CB 3.25Å; E1045-S1048 PolarHBondContact O-N 2.87Å; E1045-S1048 VanDerWaalsContact O-N 3.1Å; Q1046-S1048 VanDerWaalsContact C-N 3.29Å; Q1046-S1048 PolarHBondContact O-N 2.72Å; S1048-V1050 PolarHBondContact O-N 3.25Å; S1048-K1051 PolarHBondContact O-N 3.45Å; S1048-A1052 WeakPolarHBondContact O-CB 3.45Å; S1048-A1052 PolarHBondContact O-N 2.76Å
1049C96.3Very high95.2Very high79 Ų7999.2 Ų99.253%0.53451%0.508SS..Hα-helixtrans-57.9-48.9176.8-178.70000112E1045 Q1046 K1051 A1052 E1053E1045-C1049 WeakPolarHBondContact O-CB 3.43Å; E1045-C1049 PolarHBondContact O-N 2.92Å; Q1046-C1049 PolarHBondContact O-N 2.97Å; C1049-K1051 VanDerWaalsContact C-N 3.31Å; C1049-K1051 PolarHBondContact O-N 3.14Å; C1049-A1052 PolarHBondContact O-N 3.47Å; C1049-E1053 PolarHBondContact O-N 3.29Å
1050V95.2Very high95.3Very high104 Ų104101.6 Ų101.663%0.6351%0.511SS*.Hα-helixtrans-63.3-36177.8171.70000112Q1046 S1048 H1054Q1046-V1050 WeakPolarHBondContact O-CG2 3.39Å; Q1046-V1050 PolarHBondContact O-N 3.09Å; S1048-V1050 PolarHBondContact O-N 3.25Å; V1050-H1054 WeakPolarHBondContact O-CB 3.44Å; V1050-H1054 PolarHBondContact O-N 3.07Å
1051K96.8Very high95.4Very high132 Ų132100.9 Ų100.957%0.57451%0.513SS*.Hα-helixtrans-68.5-41.8173.3-73.5167.7-170.1172.40112L1047 S1048 C1049 H1054 L1055L1047-K1051 WeakPolarHBondContact O-CB 3.13Å; L1047-K1051 VanDerWaalsContact O-CD 3.25Å; L1047-K1051 WeakPolarHBondContact O-CD 3.21Å; L1047-K1051 WeakPolarHBondContact O-CG 3.39Å; L1047-K1051 PolarHBondContact O-N 3.36Å; S1048-K1051 PolarHBondContact O-N 3.45Å; C1049-K1051 VanDerWaalsContact C-N 3.31Å; C1049-K1051 PolarHBondContact O-N 3.14Å; K1051-H1054 PolarHBondContact O-N 3.01Å; K1051-L1055 WeakPolarHBondContact O-CG 3.13Å; K1051-L1055 PolarHBondContact O-N 3.27Å
1052A94.9Very high95.5Very high53 Ų53101.8 Ų101.844%0.43852%0.517SS..Hα-helixtrans-62.4-47.5178.800000111.3S1048 C1049 H1054 L1055 R1056S1048-A1052 WeakPolarHBondContact O-CB 3.45Å; S1048-A1052 PolarHBondContact O-N 2.76Å; C1049-A1052 PolarHBondContact O-N 3.47Å; A1052-H1054 PolarHBondContact O-N 2.72Å; A1052-L1055 PolarHBondContact O-N 2.93Å; A1052-R1056 WeakPolarHBondContact O-CB 3.3Å; A1052-R1056 PolarHBondContact O-N 3.29Å
1053E92.9Very high95.4Very high77 Ų7799.7 Ų99.736%0.3652%0.516SS..Hα-helixtrans-68.7-31.9175.6-76.1-60.7132.900112.8C1049 R1056 V1057 R1060C1049-E1053 PolarHBondContact O-N 3.29Å; E1053-R1056 WeakPolarHBondContact O-CB 3.45Å; E1053-R1056 PolarHBondContact O-N 3.26Å; E1053-R1056 VanDerWaalsContact OE1-CD 3.27Å; E1053-R1056 WeakPolarHBondContact OE1-CD 3.47Å; E1053-R1056 IonicContact OE1-CZ 3Å; E1053-R1056 IonicContact OE1-NH1 3.84Å; E1053-R1056 PolarHBondContact OE1-NH1 3.3Å; E1053-V1057 WeakPolarHBondContact O-CG2 3.19Å; E1053-V1057 PolarHBondContact O-N 2.94Å; E1053-R1060 IonicContact OE2-NH1 2.7Å
1054H96.1Very high95.3Very high114 Ų11497.1 Ų97.153%0.52851%0.51SS..Hα-helixtrans-63.4-44.4171.6179.744.8000112.4V1050 K1051 A1052 R1056 V1057 L1058V1050-H1054 WeakPolarHBondContact O-CB 3.44Å; V1050-H1054 PolarHBondContact O-N 3.07Å; K1051-H1054 PolarHBondContact O-N 3.01Å; A1052-H1054 PolarHBondContact O-N 2.72Å; H1054-R1056 VanDerWaalsContact C-N 3.32Å; H1054-R1056 PolarHBondContact O-N 2.94Å; H1054-V1057 PolarHBondContact O-N 3.15Å; H1054-L1058 WeakPolarHBondContact O-CG 3.46Å; H1054-L1058 PolarHBondContact O-N 3.31Å
1055L96.4Very high95.2Very high101 Ų10199.8 Ų99.853%0.52951%0.513SS..Hα-helixtrans-59.4-44.5172.6-71.4168.9000110.8K1051 A1052 V1057 L1058 E1059K1051-L1055 WeakPolarHBondContact O-CG 3.13Å; K1051-L1055 PolarHBondContact O-N 3.27Å; A1052-L1055 PolarHBondContact O-N 2.93Å; L1055-V1057 VanDerWaalsContact C-N 3.29Å; L1055-V1057 PolarHBondContact O-N 3.17Å; L1055-L1058 CarbonylContact O-C 3.6Å; L1055-L1058 WeakPolarHBondContact O-CA 3.45Å; L1055-L1058 WeakPolarHBondContact O-CB 3.46Å; L1055-L1058 PolarHBondContact O-N 3.44Å; L1055-E1059 WeakPolarHBondContact O-CG 3.31Å; L1055-E1059 PolarHBondContact O-N 2.69Å
1056R96.8Very high95.1Very high132 Ų13296.2 Ų96.250%0.49851%0.507SS..Hα-helixtrans-61-33.9176.9-135.3174.7-168.2170.14.9113.7A1052 E1053 H1054 R1060A1052-R1056 WeakPolarHBondContact O-CB 3.3Å; A1052-R1056 PolarHBondContact O-N 3.29Å; E1053-R1056 WeakPolarHBondContact O-CB 3.45Å; E1053-R1056 PolarHBondContact O-N 3.26Å; E1053-R1056 VanDerWaalsContact OE1-CD 3.27Å; E1053-R1056 WeakPolarHBondContact OE1-CD 3.47Å; E1053-R1056 IonicContact OE1-CZ 3Å; E1053-R1056 IonicContact OE1-NH1 3.84Å; E1053-R1056 PolarHBondContact OE1-NH1 3.3Å; H1054-R1056 VanDerWaalsContact C-N 3.32Å; H1054-R1056 PolarHBondContact O-N 2.94Å; R1056-R1060 WeakPolarHBondContact O-CB 3.41Å; R1056-R1060 WeakPolarHBondContact O-CD 3.38Å; R1056-R1060 WeakPolarHBondContact O-CG 3.02Å; R1056-R1060 PolarHBondContact O-N 2.93Å
1057V96.7Very high94.8Very high77 Ų7796.9 Ų96.947%0.46751%0.513SS..Hα-helixtrans-71-39.8173.1168.40000111.1E1053 H1054 L1055 R1060 L1061E1053-V1057 WeakPolarHBondContact O-CG2 3.19Å; E1053-V1057 PolarHBondContact O-N 2.94Å; H1054-V1057 PolarHBondContact O-N 3.15Å; L1055-V1057 VanDerWaalsContact C-N 3.29Å; L1055-V1057 PolarHBondContact O-N 3.17Å; V1057-R1060 PolarHBondContact O-N 3.18Å; V1057-L1061 WeakPolarHBondContact O-CB 3.49Å; V1057-L1061 PolarHBondContact O-N 2.74Å
1058L96.1Very high94.5Very high69 Ų6998 Ų9836%0.36152%0.515SS..Hα-helixtrans-65.5-43.2174.4-68.4171.7000112H1054 L1055 L1061 Q1062H1054-L1058 WeakPolarHBondContact O-CG 3.46Å; H1054-L1058 PolarHBondContact O-N 3.31Å; L1055-L1058 CarbonylContact O-C 3.6Å; L1055-L1058 WeakPolarHBondContact O-CA 3.45Å; L1055-L1058 WeakPolarHBondContact O-CB 3.46Å; L1055-L1058 PolarHBondContact O-N 3.44Å; L1058-L1061 PolarHBondContact O-N 3.11Å; L1058-Q1062 WeakPolarHBondContact O-CB 3.31Å; L1058-Q1062 WeakPolarHBondContact O-CG 3.31Å; L1058-Q1062 PolarHBondContact O-N 3.37Å
1059E95.1Very high94.1Very high119 Ų119100.1 Ų100.156%0.55652%0.517SS*.Hα-helixtrans-58.8-45.9174.1-72.3168.4174.800111.5L1055 Q1062 A1063L1055-E1059 WeakPolarHBondContact O-CG 3.31Å; L1055-E1059 PolarHBondContact O-N 2.69Å; E1059-Q1062 PolarHBondContact O-N 2.8Å; E1059-A1063 WeakPolarHBondContact O-CB 3.42Å; E1059-A1063 PolarHBondContact O-N 2.94Å
1060R96.8Very high93.9Very high136 Ų13697.9 Ų97.951%0.51350%0.502SS..Hα-helixtrans-59.9-45.2174.1-75.4168.4-175.6148.33.6111.9E1053 R1056 V1057 A1063 T1064E1053-R1060 IonicContact OE2-NH1 2.7Å; R1056-R1060 WeakPolarHBondContact O-CB 3.41Å; R1056-R1060 WeakPolarHBondContact O-CD 3.38Å; R1056-R1060 WeakPolarHBondContact O-CG 3.02Å; R1056-R1060 PolarHBondContact O-N 2.93Å; V1057-R1060 PolarHBondContact O-N 3.18Å; R1060-A1063 PolarHBondContact O-N 3.35Å; R1060-T1064 PolarHBondContact O-N 3.12Å; R1060-T1064 PolarHBondContact O-OG1 2.98Å
1061L96.4Very high93.6Very high114 Ų11498 Ų9860%0.59751%0.508SS*.Hα-helixtrans-65.7-39-179.5-161.681.6000112V1057 L1058 T1064 H1065V1057-L1061 WeakPolarHBondContact O-CB 3.49Å; V1057-L1061 PolarHBondContact O-N 2.74Å; L1058-L1061 PolarHBondContact O-N 3.11Å; L1061-T1064 PolarHBondContact O-OG1 3.35Å; L1061-T1064 VanDerWaalsContact O-OG1 3.05Å; L1061-H1065 VanDerWaalsContact O-CB 3.3Å; L1061-H1065 WeakPolarHBondContact O-CB 3.37Å; L1061-H1065 PolarHBondContact O-N 2.96Å
1062Q95.5Very high93.3Very high136 Ų13695.5 Ų95.564%0.63651%0.507SS*.Hα-helixtrans-66.2-40173.2-72.71750.900111.3L1058 E1059 A1066L1058-Q1062 WeakPolarHBondContact O-CB 3.31Å; L1058-Q1062 WeakPolarHBondContact O-CG 3.31Å; L1058-Q1062 PolarHBondContact O-N 3.37Å; E1059-Q1062 PolarHBondContact O-N 2.8Å; Q1062-A1066 WeakPolarHBondContact O-CB 3.22Å; Q1062-A1066 PolarHBondContact O-N 3.42Å
1063A93.4Very high93.2Very high49 Ų4996.5 Ų96.541%0.40550%0.501SS..Hα-helixtrans-66.7-42.8176.700000112.7E1059 R1060 A1066 L1067E1059-A1063 WeakPolarHBondContact O-CB 3.42Å; E1059-A1063 PolarHBondContact O-N 2.94Å; R1060-A1063 PolarHBondContact O-N 3.35Å; A1063-A1066 PolarHBondContact O-N 2.83Å; A1063-L1067 VanDerWaalsContact O-CG 3.3Å; A1063-L1067 WeakPolarHBondContact O-CG 3.14Å; A1063-L1067 PolarHBondContact O-N 3.25Å
1064T92.2Very high93.2Very high67 Ų6796.8 Ų96.841%0.41151%0.508SS..Hα-helixtrans-64.4-46.5175.652.80000111.1R1060 L1061 A1066 L1067 E1068R1060-T1064 PolarHBondContact O-N 3.12Å; R1060-T1064 PolarHBondContact O-OG1 2.98Å; L1061-T1064 PolarHBondContact O-OG1 3.35Å; L1061-T1064 VanDerWaalsContact O-OG1 3.05Å; T1064-A1066 VanDerWaalsContact C-N 3.31Å; T1064-A1066 PolarHBondContact O-N 2.8Å; T1064-L1067 PolarHBondContact O-N 3.38Å; T1064-L1067 VanDerWaalsContact O-N 3.09Å; T1064-E1068 WeakPolarHBondContact O-CB 3.22Å; T1064-E1068 WeakPolarHBondContact O-CG 3.31Å; T1064-E1068 PolarHBondContact O-N 2.76Å
1065H92.4Very high93Very high112 Ų11293.4 Ų93.452%0.51950%0.5SS..Hα-helixtrans-59.9-40.2175.6-175.4-72.5000112L1061 L1067 H1069L1061-H1065 VanDerWaalsContact O-CB 3.3Å; L1061-H1065 WeakPolarHBondContact O-CB 3.37Å; L1061-H1065 PolarHBondContact O-N 2.96Å; H1065-L1067 VanDerWaalsContact C-N 3.31Å; H1065-L1067 PolarHBondContact O-N 2.79Å; H1065-H1069 AromaticContact CD2-CD2 3.73Å; H1065-H1069 AromaticContact CE1-CD2 3.46Å; H1065-H1069 PolarHBondContact CE1-CD2 3.5Å; H1065-H1069 VanDerWaalsContact CE1-CD2 3.46Å; H1065-H1069 AromaticContact CG-CD2 3.77Å; H1065-H1069 AromaticContact ND1-CD2 3.6Å; H1065-H1069 AromaticContact NE2-CD2 3.57Å; H1065-H1069 AromaticContact NE2-NE2 3.82Å; H1065-H1069 WeakPolarHBondContact O-CB 3.49Å; H1065-H1069 PolarHBondContact O-CD2 3.49Å; H1065-H1069 PolarHBondContact O-N 3.37Å
1066A91.5Very high92.9Very high62 Ų6292.2 Ų92.251%0.51249%0.491SS..Hα-helixtrans-68.4-26.5176.600000113.6Q1062 A1063 T1064 S1070Q1062-A1066 WeakPolarHBondContact O-CB 3.22Å; Q1062-A1066 PolarHBondContact O-N 3.42Å; A1063-A1066 PolarHBondContact O-N 2.83Å; T1064-A1066 VanDerWaalsContact C-N 3.31Å; T1064-A1066 PolarHBondContact O-N 2.8Å; A1066-S1070 WeakPolarHBondContact O-CA 3.33Å; A1066-S1070 VanDerWaalsContact O-CB 3.32Å; A1066-S1070 WeakPolarHBondContact O-CB 3.3Å; A1066-S1070 PolarHBondContact O-N 3.08Å; A1066-S1070 VanDerWaalsContact O-N 3.16Å
1067L89.8Confident92.7Very high120 Ų12090.9 Ų90.963%0.62849%0.494SS*.Hα-helixtrans-80.2-45.3173.9-71.9167.7000111.8A1063 T1064 H1065 S1070A1063-L1067 VanDerWaalsContact O-CG 3.3Å; A1063-L1067 WeakPolarHBondContact O-CG 3.14Å; A1063-L1067 PolarHBondContact O-N 3.25Å; T1064-L1067 PolarHBondContact O-N 3.38Å; T1064-L1067 VanDerWaalsContact O-N 3.09Å; H1065-L1067 VanDerWaalsContact C-N 3.31Å; H1065-L1067 PolarHBondContact O-N 2.79Å; L1067-S1070 VanDerWaalsContact O-CB 3.23Å; L1067-S1070 WeakPolarHBondContact O-CB 3.35Å; L1067-S1070 PolarHBondContact O-N 2.91Å; L1067-S1070 PolarHBondContact O-OG 3.5Å
1068E88.1Confident92.7Very high128 Ų12889.7 Ų89.760%0.59849%0.489SS*.Hα-helixtrans-65.1-40178.7-71.217315900112T1064 K1073T1064-E1068 WeakPolarHBondContact O-CB 3.22Å; T1064-E1068 WeakPolarHBondContact O-CG 3.31Å; T1064-E1068 PolarHBondContact O-N 2.76Å; E1068-K1073 WeakPolarHBondContact O-CB 3.2Å; E1068-K1073 WeakPolarHBondContact O-CG 3.48Å
1069H86.9Confident92.7Very high122 Ų12291.2 Ų91.257%0.56550%0.498SS*.THydrogen-bonded Turntrans-95.617.5173.5-60.9-76.6000113.3H1065H1065-H1069 AromaticContact CD2-CD2 3.73Å; H1065-H1069 AromaticContact CE1-CD2 3.46Å; H1065-H1069 PolarHBondContact CE1-CD2 3.5Å; H1065-H1069 VanDerWaalsContact CE1-CD2 3.46Å; H1065-H1069 AromaticContact CG-CD2 3.77Å; H1065-H1069 AromaticContact ND1-CD2 3.6Å; H1065-H1069 AromaticContact NE2-CD2 3.57Å; H1065-H1069 AromaticContact NE2-NE2 3.82Å; H1065-H1069 WeakPolarHBondContact O-CB 3.49Å; H1065-H1069 PolarHBondContact O-CD2 3.49Å; H1065-H1069 PolarHBondContact O-N 3.37Å
1070S91.9Very high92.8Very high32 Ų3291.1 Ų91.122%0.22450%0.495CS..SBendtrans-63147.5173.566.30000110.9A1066 L1067 S1072 K1073 V1074A1066-S1070 WeakPolarHBondContact O-CA 3.33Å; A1066-S1070 VanDerWaalsContact O-CB 3.32Å; A1066-S1070 WeakPolarHBondContact O-CB 3.3Å; A1066-S1070 PolarHBondContact O-N 3.08Å; A1066-S1070 VanDerWaalsContact O-N 3.16Å; L1067-S1070 VanDerWaalsContact O-CB 3.23Å; L1067-S1070 WeakPolarHBondContact O-CB 3.35Å; L1067-S1070 PolarHBondContact O-N 2.91Å; L1067-S1070 PolarHBondContact O-OG 3.5Å; S1070-S1072 PolarHBondContact O-N 3.26Å; S1070-K1073 PolarHBondContact O-N 2.8Å; S1070-K1073 WeakPolarHBondContact OG-CB 3.05Å; S1070-K1073 PolarHBondContact OG-N 3.16Å; S1070-K1073 VanDerWaalsContact OG-N 3.13Å; S1070-V1074 WeakPolarHBondContact O-CG2 3.38Å; S1070-V1074 PolarHBondContact O-N 3.16Å
1071S89.4Confident92.8Very high107 Ų10789.7 Ų89.775%0.74850%0.497SS*.Hα-helixtrans-56.6-32.7174.353.20000112.2A1075S1071-A1075 WeakPolarHBondContact O-CB 3.46Å; S1071-A1075 PolarHBondContact O-N 3.34Å
1072S89.1Confident92.9Very high78 Ų7887.7 Ų87.755%0.54549%0.487SS..Hα-helixtrans-60.9-46.6171.8-167.40000112S1070 A1075 E1076S1070-S1072 PolarHBondContact O-N 3.26Å; S1072-A1075 PolarHBondContact O-N 2.94Å; S1072-E1076 PolarHBondContact O-N 3.3Å
1073K94.4Very high92.9Very high74 Ų7485.1 Ų85.132%0.32248%0.484SS..Hα-helixtrans-71.6-36.8-178.9-163.851.6158.3-168.10112.9E1068 S1070 A1075 E1076 L1077E1068-K1073 WeakPolarHBondContact O-CB 3.2Å; E1068-K1073 WeakPolarHBondContact O-CG 3.48Å; S1070-K1073 PolarHBondContact O-N 2.8Å; S1070-K1073 WeakPolarHBondContact OG-CB 3.05Å; S1070-K1073 PolarHBondContact OG-N 3.16Å; S1070-K1073 VanDerWaalsContact OG-N 3.13Å; K1073-A1075 VanDerWaalsContact C-N 3.32Å; K1073-E1076 HydrophobicContact CD-CB 4.37Å; K1073-E1076 HydrophobicContact CD-CG 4.47Å; K1073-E1076 WeakPolarHBondContact CD-OE1 3.32Å; K1073-E1076 IonicContact NZ-OE1 3.14Å; K1073-E1076 PolarHBondContact NZ-OE1 3.37Å; K1073-E1076 IonicContact NZ-OE2 3.7Å; K1073-E1076 PolarHBondContact NZ-OE2 3.34Å; K1073-E1076 PolarHBondContact O-N 2.68Å; K1073-L1077 WeakPolarHBondContact O-CG 3.3Å; K1073-L1077 PolarHBondContact O-N 2.76Å; K1073-L1077 VanDerWaalsContact O-N 3.13Å
1074V92.9Very high93.1Very high83 Ų8388.8 Ų88.850%0.50349%0.493SS..Hα-helixtrans-63.7-39.6171177.60000110.7S1070 L1077 S1078S1070-V1074 WeakPolarHBondContact O-CG2 3.38Å; S1070-V1074 PolarHBondContact O-N 3.16Å; V1074-L1077 PolarHBondContact O-N 2.97Å; V1074-S1078 VanDerWaalsContact O-CB 3.3Å; V1074-S1078 WeakPolarHBondContact O-CB 3.49Å; V1074-S1078 PolarHBondContact O-N 3.22Å
1075A91Very high93.4Very high43 Ų4389.4 Ų89.436%0.35549%0.491SS..Hα-helixtrans-67.9-38.6175.200000113S1071 S1072 K1073 L1077 S1078 N1079S1071-A1075 WeakPolarHBondContact O-CB 3.46Å; S1071-A1075 PolarHBondContact O-N 3.34Å; S1072-A1075 PolarHBondContact O-N 2.94Å; K1073-A1075 VanDerWaalsContact C-N 3.32Å; A1075-L1077 VanDerWaalsContact C-N 3.34Å; A1075-L1077 PolarHBondContact O-N 3.11Å; A1075-S1078 PolarHBondContact O-N 2.75Å; A1075-N1079 VanDerWaalsContact O-CB 3.28Å; A1075-N1079 WeakPolarHBondContact O-CB 3.23Å; A1075-N1079 PolarHBondContact O-N 2.74Å; A1075-N1079 PolarHBondContact O-ND2 2.68Å
1076E93.6Very high93.6Very high76 Ų7688.7 Ų88.736%0.35549%0.494SS..Hα-helixtrans-56.6-47170.8-79.6-176.3-129.400111.9S1072 K1073 K1080S1072-E1076 PolarHBondContact O-N 3.3Å; K1073-E1076 HydrophobicContact CD-CB 4.37Å; K1073-E1076 HydrophobicContact CD-CG 4.47Å; K1073-E1076 WeakPolarHBondContact CD-OE1 3.32Å; K1073-E1076 IonicContact NZ-OE1 3.14Å; K1073-E1076 PolarHBondContact NZ-OE1 3.37Å; K1073-E1076 IonicContact NZ-OE2 3.7Å; K1073-E1076 PolarHBondContact NZ-OE2 3.34Å; K1073-E1076 PolarHBondContact O-N 2.68Å; E1076-K1080 WeakPolarHBondContact O-CG 3.45Å; E1076-K1080 PolarHBondContact O-N 3.26Å; E1076-K1080 IonicContact OE2-NZ 3.97Å
1077L94.3Very high93.9Very high104 Ų10488.1 Ų88.155%0.54549%0.49SS..Hα-helixtrans-70.2-40.6-178.3-67.6174.5000111.5K1073 V1074 A1075 K1080 L1081K1073-L1077 WeakPolarHBondContact O-CG 3.3Å; K1073-L1077 PolarHBondContact O-N 2.76Å; K1073-L1077 VanDerWaalsContact O-N 3.13Å; V1074-L1077 PolarHBondContact O-N 2.97Å; A1075-L1077 VanDerWaalsContact C-N 3.34Å; A1075-L1077 PolarHBondContact O-N 3.11Å; L1077-K1080 PolarHBondContact O-N 2.91Å; L1077-L1081 WeakPolarHBondContact O-CB 3.26Å; L1077-L1081 PolarHBondContact O-N 2.87Å
1078S95.7Very high94.2Very high53 Ų5387.4 Ų87.437%0.37149%0.485SS..Hα-helixtrans-60.7-45.6172.6-1760000111.7V1074 A1075 K1080 L1081 N1082V1074-S1078 VanDerWaalsContact O-CB 3.3Å; V1074-S1078 WeakPolarHBondContact O-CB 3.49Å; V1074-S1078 PolarHBondContact O-N 3.22Å; A1075-S1078 PolarHBondContact O-N 2.75Å; S1078-K1080 PolarHBondContact O-N 2.98Å; S1078-L1081 PolarHBondContact O-N 2.92Å; S1078-N1082 WeakPolarHBondContact O-CB 3.31Å; S1078-N1082 PolarHBondContact O-N 2.89Å; S1078-N1082 PolarHBondContact O-ND2 3.26Å; S1078-N1082 PolarHBondContact O-OD1 3.04Å
1079N96.1Very high94.6Very high101 Ų10186.6 Ų86.654%0.5448%0.479SS..Hα-helixtrans-62.9-41.5176.4-73.7-20.8000112.1A1075 N1082 S1083A1075-N1079 VanDerWaalsContact O-CB 3.28Å; A1075-N1079 WeakPolarHBondContact O-CB 3.23Å; A1075-N1079 PolarHBondContact O-N 2.74Å; A1075-N1079 PolarHBondContact O-ND2 2.68Å; N1079-N1082 PolarHBondContact O-N 3.36Å; N1079-S1083 PolarHBondContact O-N 3.42Å; N1079-S1083 PolarHBondContact O-OG 3.26Å; N1079-S1083 VanDerWaalsContact O-OG 3.09Å
1080K97.8Very high95.1Very high117 Ų11786 Ų8651%0.50948%0.476SS..Hα-helixtrans-62.3-43.7174.1-75.9170.1179.4172.10112.1E1076 L1077 S1078 S1083 Q1084E1076-K1080 WeakPolarHBondContact O-CG 3.45Å; E1076-K1080 PolarHBondContact O-N 3.26Å; E1076-K1080 IonicContact OE2-NZ 3.97Å; L1077-K1080 PolarHBondContact O-N 2.91Å; S1078-K1080 PolarHBondContact O-N 2.98Å; K1080-S1083 PolarHBondContact O-N 3.19Å; K1080-Q1084 WeakPolarHBondContact O-CG 3.37Å; K1080-Q1084 PolarHBondContact O-N 3.47Å
1081L97Very high95.3Very high106 Ų10689.2 Ų89.256%0.55549%0.491SS*.Hα-helixtrans-61.4-46.5175.8-176.665000111L1077 S1078 S1083 Q1084 E1085L1077-L1081 WeakPolarHBondContact O-CB 3.26Å; L1077-L1081 PolarHBondContact O-N 2.87Å; S1078-L1081 PolarHBondContact O-N 2.92Å; L1081-S1083 PolarHBondContact O-N 2.78Å; L1081-Q1084 CarbonylContact O-C 3.51Å; L1081-Q1084 PolarHBondContact O-N 3.24Å; L1081-E1085 WeakPolarHBondContact O-CB 3.46Å; L1081-E1085 PolarHBondContact O-N 3.35Å
1082N97.1Very high95.7Very high71 Ų7190.1 Ų90.138%0.3848%0.483SS..Hα-helixtrans-62.7-40.9177.3-63.9-17.9000111.8S1078 N1079 E1085 V1086S1078-N1082 WeakPolarHBondContact O-CB 3.31Å; S1078-N1082 PolarHBondContact O-N 2.89Å; S1078-N1082 PolarHBondContact O-ND2 3.26Å; S1078-N1082 PolarHBondContact O-OD1 3.04Å; N1079-N1082 PolarHBondContact O-N 3.36Å; N1082-E1085 PolarHBondContact O-N 3.37Å; N1082-V1086 WeakPolarHBondContact O-CG2 3.47Å; N1082-V1086 PolarHBondContact O-N 3.02Å
1083S97.4Very high96.1Very high83 Ų8390.2 Ų90.258%0.5848%0.475SS*.Hα-helixtrans-63.1-40.2173.6-63.50000112.3N1079 K1080 L1081 A1087N1079-S1083 PolarHBondContact O-N 3.42Å; N1079-S1083 PolarHBondContact O-OG 3.26Å; N1079-S1083 VanDerWaalsContact O-OG 3.09Å; K1080-S1083 PolarHBondContact O-N 3.19Å; L1081-S1083 PolarHBondContact O-N 2.78Å; S1083-A1087 WeakPolarHBondContact O-CB 3.27Å; S1083-A1087 PolarHBondContact O-N 2.98Å
1084Q97.1Very high96.3Very high125 Ų12590.4 Ų90.458%0.58448%0.477SS*.Hα-helixtrans-67.5-38.9174.3-73.6175.7-24.700111.9K1080 L1081 A1087 M1088K1080-Q1084 WeakPolarHBondContact O-CG 3.37Å; K1080-Q1084 PolarHBondContact O-N 3.47Å; L1081-Q1084 CarbonylContact O-C 3.51Å; L1081-Q1084 PolarHBondContact O-N 3.24Å; Q1084-A1087 PolarHBondContact O-N 2.87Å; Q1084-M1088 WeakPolarHBondContact O-CB 3.39Å; Q1084-M1088 WeakPolarHBondContact O-CG 3.44Å; Q1084-M1088 PolarHBondContact O-N 3.18Å
1085E97.7Very high96.5Very high80 Ų8092 Ų9237%0.37448%0.482SS..Hα-helixtrans-64.6-42.2176.1-163.1-165.616800111.9L1081 N1082 M1088 K1089L1081-E1085 WeakPolarHBondContact O-CB 3.46Å; L1081-E1085 PolarHBondContact O-N 3.35Å; N1082-E1085 PolarHBondContact O-N 3.37Å; E1085-M1088 PolarHBondContact O-N 2.96Å; E1085-K1089 VanDerWaalsContact CD-NZ 3.29Å; E1085-K1089 HydrophobicContact CG-CD 4.46Å; E1085-K1089 WeakPolarHBondContact O-CB 3.36Å; E1085-K1089 WeakPolarHBondContact O-CG 3.34Å; E1085-K1089 PolarHBondContact O-N 3.46Å; E1085-K1089 WeakPolarHBondContact OE1-CE 3.45Å; E1085-K1089 IonicContact OE1-NZ 3.57Å; E1085-K1089 PolarHBondContact OE1-NZ 2.98Å; E1085-K1089 IonicContact OE2-NZ 3.33Å
1086V97.4Very high96.8Very high97 Ų9795.1 Ų95.159%0.58849%0.487SS*.Hα-helixtrans-63.9-42.3173.7170.30000111.2N1082 K1089 H1090N1082-V1086 WeakPolarHBondContact O-CG2 3.47Å; N1082-V1086 PolarHBondContact O-N 3.02Å; V1086-K1089 PolarHBondContact O-N 3.33Å; V1086-H1090 PolarHBondContact O-N 3.39Å
1087A96.4Very high97Very high51 Ų5195.7 Ų95.742%0.42149%0.49SS..Hα-helixtrans-63.3-42.7175.100000112.2S1083 Q1084 H1090 L1091S1083-A1087 WeakPolarHBondContact O-CB 3.27Å; S1083-A1087 PolarHBondContact O-N 2.98Å; Q1084-A1087 PolarHBondContact O-N 2.87Å; A1087-H1090 PolarHBondContact O-N 3.08Å; A1087-L1091 WeakPolarHBondContact O-CG 3.18Å; A1087-L1091 PolarHBondContact O-N 3.06Å
1088M96.1Very high97.1Very high105 Ų10596.3 Ų96.352%0.51749%0.493SS..Hα-helixtrans-62.8-42.5174.6-74-172-6400112.1Q1084 E1085 H1090 L1091 Q1092Q1084-M1088 WeakPolarHBondContact O-CB 3.39Å; Q1084-M1088 WeakPolarHBondContact O-CG 3.44Å; Q1084-M1088 PolarHBondContact O-N 3.18Å; E1085-M1088 PolarHBondContact O-N 2.96Å; M1088-H1090 VanDerWaalsContact C-N 3.34Å; M1088-H1090 PolarHBondContact O-N 3.1Å; M1088-L1091 PolarHBondContact O-N 3.39Å; M1088-Q1092 WeakPolarHBondContact O-CB 3.24Å; M1088-Q1092 VanDerWaalsContact O-CG 3.25Å; M1088-Q1092 WeakPolarHBondContact O-CG 3.15Å; M1088-Q1092 PolarHBondContact O-N 2.86Å
1089K96.9Very high97.2Very high111 Ų11197.3 Ų97.348%0.48349%0.492SS..Hα-helixtrans-63-38.6175.2-75169.9-177169.20112.2E1085 V1086 Q1092 Q1093E1085-K1089 VanDerWaalsContact CD-NZ 3.29Å; E1085-K1089 HydrophobicContact CG-CD 4.46Å; E1085-K1089 WeakPolarHBondContact O-CB 3.36Å; E1085-K1089 WeakPolarHBondContact O-CG 3.34Å; E1085-K1089 PolarHBondContact O-N 3.46Å; E1085-K1089 WeakPolarHBondContact OE1-CE 3.45Å; E1085-K1089 IonicContact OE1-NZ 3.57Å; E1085-K1089 PolarHBondContact OE1-NZ 2.98Å; E1085-K1089 IonicContact OE2-NZ 3.33Å; V1086-K1089 PolarHBondContact O-N 3.33Å; K1089-Q1092 PolarHBondContact O-N 3.02Å; K1089-Q1093 WeakPolarHBondContact O-CB 3.41Å; K1089-Q1093 PolarHBondContact O-N 3.46Å
1090H97.5Very high97.3Very high109 Ų10997 Ų9751%0.50549%0.488SS..Hα-helixtrans-65.7-44.8174.7-176.552.5000112V1086 A1087 M1088 Q1092 Q1093 Q1094V1086-H1090 PolarHBondContact O-N 3.39Å; A1087-H1090 PolarHBondContact O-N 3.08Å; M1088-H1090 VanDerWaalsContact C-N 3.34Å; M1088-H1090 PolarHBondContact O-N 3.1Å; H1090-Q1092 PolarHBondContact O-N 3.22Å; H1090-Q1093 PolarHBondContact O-N 3.32Å; H1090-Q1094 PolarHBondContact NE2-NE2 2.76Å; H1090-Q1094 WeakPolarHBondContact O-CG 3.44Å; H1090-Q1094 PolarHBondContact O-N 3.06Å
1091L97.6Very high97.2Very high100 Ų10095.5 Ų95.552%0.52449%0.491SS..Hα-helixtrans-63.4-39.3175.2-70169000112.2A1087 M1088 Q1094 L1095A1087-L1091 WeakPolarHBondContact O-CG 3.18Å; A1087-L1091 PolarHBondContact O-N 3.06Å; M1088-L1091 PolarHBondContact O-N 3.39Å; L1091-Q1094 PolarHBondContact O-N 2.83Å; L1091-L1095 WeakPolarHBondContact O-CB 3.49Å; L1091-L1095 VanDerWaalsContact O-CG 3.29Å; L1091-L1095 WeakPolarHBondContact O-CG 3.33Å; L1091-L1095 PolarHBondContact O-N 3.1Å
1092Q96.8Very high97.3Very high125 Ų12596.8 Ų96.858%0.58449%0.492SS*.Hα-helixtrans-62.1-41.7173.2-75.9170.5-1100111.9M1088 K1089 H1090 L1095 K1096M1088-Q1092 WeakPolarHBondContact O-CB 3.24Å; M1088-Q1092 VanDerWaalsContact O-CG 3.25Å; M1088-Q1092 WeakPolarHBondContact O-CG 3.15Å; M1088-Q1092 PolarHBondContact O-N 2.86Å; K1089-Q1092 PolarHBondContact O-N 3.02Å; H1090-Q1092 PolarHBondContact O-N 3.22Å; Q1092-L1095 PolarHBondContact O-N 3.16Å; Q1092-K1096 WeakPolarHBondContact O-CB 3.4Å; Q1092-K1096 PolarHBondContact O-N 3.02Å
1093Q97.9Very high97.3Very high80 Ų8098 Ų9837%0.37450%0.495SS..Hα-helixtrans-66-43.5175.8179.559.523.200111.7K1089 H1090 L1095 K1096 E1097K1089-Q1093 WeakPolarHBondContact O-CB 3.41Å; K1089-Q1093 PolarHBondContact O-N 3.46Å; H1090-Q1093 PolarHBondContact O-N 3.32Å; Q1093-L1095 VanDerWaalsContact C-N 3.34Å; Q1093-L1095 PolarHBondContact O-N 3.12Å; Q1093-K1096 WeakPolarHBondContact O-CB 3.38Å; Q1093-K1096 PolarHBondContact O-N 2.71Å; Q1093-K1096 VanDerWaalsContact O-N 3.17Å; Q1093-E1097 WeakPolarHBondContact CG-OE1 3.44Å; Q1093-E1097 PolarHBondContact NE2-OE1 3.29Å; Q1093-E1097 WeakPolarHBondContact O-CG 3.05Å; Q1093-E1097 PolarHBondContact O-N 3.41Å
1094Q97.8Very high97.3Very high78 Ų7896.9 Ų96.936%0.36449%0.491SS..Hα-helixtrans-60.9-40.7173.9-74.1-178.6-3200112.3H1090 L1091 K1096 E1097 L1098H1090-Q1094 PolarHBondContact NE2-NE2 2.76Å; H1090-Q1094 WeakPolarHBondContact O-CG 3.44Å; H1090-Q1094 PolarHBondContact O-N 3.06Å; L1091-Q1094 PolarHBondContact O-N 2.83Å; Q1094-K1096 VanDerWaalsContact C-N 3.33Å; Q1094-K1096 PolarHBondContact O-N 3.08Å; Q1094-E1097 PolarHBondContact O-N 3.39Å; Q1094-L1098 WeakPolarHBondContact O-CB 3.25Å; Q1094-L1098 VanDerWaalsContact O-CG 3.24Å; Q1094-L1098 WeakPolarHBondContact O-CG 3.32Å; Q1094-L1098 PolarHBondContact O-N 2.7Å
1095L97.4Very high97.3Very high118 Ų11895.9 Ų95.962%0.61849%0.489SS*.Hα-helixtrans-64.9-36.7175-73.6169.9000112.2L1091 Q1092 Q1093 Q1099L1091-L1095 WeakPolarHBondContact O-CB 3.49Å; L1091-L1095 VanDerWaalsContact O-CG 3.29Å; L1091-L1095 WeakPolarHBondContact O-CG 3.33Å; L1091-L1095 PolarHBondContact O-N 3.1Å; Q1092-L1095 PolarHBondContact O-N 3.16Å; Q1093-L1095 VanDerWaalsContact C-N 3.34Å; Q1093-L1095 PolarHBondContact O-N 3.12Å; L1095-Q1099 WeakPolarHBondContact O-CB 3.44Å; L1095-Q1099 PolarHBondContact O-N 3.38Å
1096K97.6Very high97.3Very high107 Ų10794 Ų9447%0.46548%0.484SS..Hα-helixtrans-66.2-47.7174.2-177.1174.5178.6-69.50111.5Q1092 Q1093 Q1094 L1098 Q1099 E1100Q1092-K1096 WeakPolarHBondContact O-CB 3.4Å; Q1092-K1096 PolarHBondContact O-N 3.02Å; Q1093-K1096 WeakPolarHBondContact O-CB 3.38Å; Q1093-K1096 PolarHBondContact O-N 2.71Å; Q1093-K1096 VanDerWaalsContact O-N 3.17Å; Q1094-K1096 VanDerWaalsContact C-N 3.33Å; Q1094-K1096 PolarHBondContact O-N 3.08Å; K1096-L1098 PolarHBondContact O-N 2.87Å; K1096-Q1099 PolarHBondContact O-N 2.86Å; K1096-E1100 WeakPolarHBondContact CE-OE1 3.42Å; K1096-E1100 IonicContact NZ-OE1 3.92Å; K1096-E1100 PolarHBondContact NZ-OE1 3.27Å; K1096-E1100 WeakPolarHBondContact O-CG 3.47Å; K1096-E1100 PolarHBondContact O-N 3.44Å
1097E97.4Very high97.3Very high89 Ų8993 Ų9342%0.41648%0.475SS..Hα-helixtrans-60.7-41.9175.9-72.4165.8-175.700111.9Q1093 Q1094 E1100 C1101Q1093-E1097 WeakPolarHBondContact CG-OE1 3.44Å; Q1093-E1097 PolarHBondContact NE2-OE1 3.29Å; Q1093-E1097 WeakPolarHBondContact O-CG 3.05Å; Q1093-E1097 PolarHBondContact O-N 3.41Å; Q1094-E1097 PolarHBondContact O-N 3.39Å; E1097-E1100 PolarHBondContact O-N 2.78Å; E1097-C1101 WeakPolarHBondContact O-CB 3.19Å; E1097-C1101 PolarHBondContact O-N 2.95Å; E1097-C1101 PolarHBondContact O-SG 3Å
1098L96.9Very high97Very high116 Ų11694.1 Ų94.161%0.60748%0.48SS*.Hα-helixtrans-65.5-36.7174.9-74.5169.6000112.7Q1094 K1096 K1102Q1094-L1098 WeakPolarHBondContact O-CB 3.25Å; Q1094-L1098 VanDerWaalsContact O-CG 3.24Å; Q1094-L1098 WeakPolarHBondContact O-CG 3.32Å; Q1094-L1098 PolarHBondContact O-N 2.7Å; K1096-L1098 PolarHBondContact O-N 2.87Å; L1098-K1102 VanDerWaalsContact O-CB 3.26Å; L1098-K1102 WeakPolarHBondContact O-CB 3.29Å; L1098-K1102 PolarHBondContact O-N 3.06Å
1099Q97.5Very high97.1Very high75 Ų7596.1 Ų96.135%0.3548%0.482SS..Hα-helixtrans-70.3-40.8175.1179.362.124.200111.4L1095 K1096 K1102 E1103L1095-Q1099 WeakPolarHBondContact O-CB 3.44Å; L1095-Q1099 PolarHBondContact O-N 3.38Å; K1096-Q1099 PolarHBondContact O-N 2.86Å; Q1099-K1102 WeakPolarHBondContact O-CB 3.3Å; Q1099-K1102 PolarHBondContact O-N 3.27Å; Q1099-K1102 VanDerWaalsContact OE1-NZ 3.08Å; Q1099-E1103 PolarHBondContact NE2-OE1 3.49Å; Q1099-E1103 WeakPolarHBondContact O-CG 3.48Å; Q1099-E1103 PolarHBondContact O-N 3.46Å
1100E97.4Very high97.1Very high94 Ų9498.4 Ų98.444%0.43949%0.487SS..Hα-helixtrans-61.8-43.8173.1-74.4171.2-169.900111.6K1096 E1097 K1102 E1103 A1104K1096-E1100 WeakPolarHBondContact CE-OE1 3.42Å; K1096-E1100 IonicContact NZ-OE1 3.92Å; K1096-E1100 PolarHBondContact NZ-OE1 3.27Å; K1096-E1100 WeakPolarHBondContact O-CG 3.47Å; K1096-E1100 PolarHBondContact O-N 3.44Å; E1097-E1100 PolarHBondContact O-N 2.78Å; E1100-K1102 VanDerWaalsContact C-N 3.35Å; E1100-K1102 PolarHBondContact O-N 3.46Å; E1100-E1103 PolarHBondContact O-N 3.4Å; E1100-A1104 WeakPolarHBondContact O-CB 3.2Å; E1100-A1104 PolarHBondContact O-N 2.81Å
1101C96.9Very high97.1Very high85 Ų85101.4 Ų101.457%0.57449%0.494SS*.Hα-helixtrans-60.4-41.5173.1-74.80000112.5E1097 A1104 L1105E1097-C1101 WeakPolarHBondContact O-CB 3.19Å; E1097-C1101 PolarHBondContact O-N 2.95Å; E1097-C1101 PolarHBondContact O-SG 3Å; C1101-A1104 PolarHBondContact O-N 2.79Å; C1101-L1105 VanDerWaalsContact O-CB 3.31Å; C1101-L1105 WeakPolarHBondContact O-CB 3.15Å; C1101-L1105 PolarHBondContact O-N 3.36Å
1102K97.8Very high97.1Very high134 Ų134101.5 Ų101.558%0.58349%0.492SS*.Hα-helixtrans-67-38.1177173.7-178.9161.9-1560112.1L1098 Q1099 E1100 S1106L1098-K1102 VanDerWaalsContact O-CB 3.26Å; L1098-K1102 WeakPolarHBondContact O-CB 3.29Å; L1098-K1102 PolarHBondContact O-N 3.06Å; Q1099-K1102 WeakPolarHBondContact O-CB 3.3Å; Q1099-K1102 PolarHBondContact O-N 3.27Å; Q1099-K1102 VanDerWaalsContact OE1-NZ 3.08Å; E1100-K1102 VanDerWaalsContact C-N 3.35Å; E1100-K1102 PolarHBondContact O-N 3.46Å; K1102-S1106 WeakPolarHBondContact O-CB 3.27Å; K1102-S1106 PolarHBondContact O-N 3.21Å
1103E97.4Very high97.1Very high97 Ų9799.2 Ų99.245%0.45348%0.481SS..Hα-helixtrans-67.8-45.9174.1-75.4175.7-157.500111.3Q1099 E1100 L1105 S1106 I1107Q1099-E1103 PolarHBondContact NE2-OE1 3.49Å; Q1099-E1103 WeakPolarHBondContact O-CG 3.48Å; Q1099-E1103 PolarHBondContact O-N 3.46Å; E1100-E1103 PolarHBondContact O-N 3.4Å; E1103-L1105 VanDerWaalsContact C-N 3.34Å; E1103-L1105 PolarHBondContact O-N 3.3Å; E1103-S1106 WeakPolarHBondContact O-CB 3.36Å; E1103-S1106 PolarHBondContact O-N 3.3Å; E1103-S1106 VanDerWaalsContact O-N 3.08Å; E1103-S1106 PolarHBondContact O-OG 3.4Å; E1103-I1107 WeakPolarHBondContact O-CG1 3.46Å; E1103-I1107 PolarHBondContact O-N 3.09Å
1104A97.3Very high97.1Very high59 Ų5999 Ų9949%0.48849%0.485SS..Hα-helixtrans-58.2-43.1173.500000112.3E1100 C1101 S1106 I1107 S1108E1100-A1104 WeakPolarHBondContact O-CB 3.2Å; E1100-A1104 PolarHBondContact O-N 2.81Å; C1101-A1104 PolarHBondContact O-N 2.79Å; A1104-S1106 VanDerWaalsContact C-N 3.35Å; A1104-S1106 PolarHBondContact O-N 3.41Å; A1104-I1107 PolarHBondContact O-N 2.82Å; A1104-S1108 PolarHBondContact O-N 2.99Å
1105L97.3Very high97.1Very high103 Ų103100.4 Ų100.454%0.53950%0.495SS..Hα-helixtrans-62.6-40.2173.8-170.9155.2000111.5C1101 E1103 I1107 S1108 R1109C1101-L1105 VanDerWaalsContact O-CB 3.31Å; C1101-L1105 WeakPolarHBondContact O-CB 3.15Å; C1101-L1105 PolarHBondContact O-N 3.36Å; E1103-L1105 VanDerWaalsContact C-N 3.34Å; E1103-L1105 PolarHBondContact O-N 3.3Å; L1105-I1107 VanDerWaalsContact C-N 3.33Å; L1105-I1107 PolarHBondContact O-N 3.4Å; L1105-S1108 PolarHBondContact O-N 2.79Å; L1105-R1109 PolarHBondContact O-N 2.83Å
1106S97.4Very high97.1Very high40 Ų4099.5 Ų99.528%0.2849%0.487SS..Hα-helixtrans-64.8-35.8175.684.60000112.9K1102 E1103 A1104 R1110K1102-S1106 WeakPolarHBondContact O-CB 3.27Å; K1102-S1106 PolarHBondContact O-N 3.21Å; E1103-S1106 WeakPolarHBondContact O-CB 3.36Å; E1103-S1106 PolarHBondContact O-N 3.3Å; E1103-S1106 VanDerWaalsContact O-N 3.08Å; E1103-S1106 PolarHBondContact O-OG 3.4Å; A1104-S1106 VanDerWaalsContact C-N 3.35Å; A1104-S1106 PolarHBondContact O-N 3.41Å; S1106-R1110 VanDerWaalsContact O-CG 3.3Å; S1106-R1110 WeakPolarHBondContact O-CG 3.45Å; S1106-R1110 PolarHBondContact O-N 2.93Å
1107I97.4Very high97.1Very high78 Ų7899.7 Ų99.740%0.449%0.488SS..Hα-helixtrans-69.1-42.2174.3-67163.9000110E1103 A1104 L1105 R1110 R1111E1103-I1107 WeakPolarHBondContact O-CG1 3.46Å; E1103-I1107 PolarHBondContact O-N 3.09Å; A1104-I1107 PolarHBondContact O-N 2.82Å; L1105-I1107 VanDerWaalsContact C-N 3.33Å; L1105-I1107 PolarHBondContact O-N 3.4Å; I1107-R1110 PolarHBondContact O-N 3.37Å; I1107-R1111 WeakPolarHBondContact O-CG 3.36Å; I1107-R1111 PolarHBondContact O-N 3.04Å
1108S91.1Very high97.1Very high73 Ų73100.1 Ų100.151%0.5149%0.49SS..Hα-helixtrans-60.6-49.6175.5-160.60000111.4A1104 L1105 R1110 R1111 E1112A1104-S1108 PolarHBondContact O-N 2.99Å; L1105-S1108 PolarHBondContact O-N 2.79Å; S1108-R1110 VanDerWaalsContact C-N 3.35Å; S1108-R1110 PolarHBondContact O-N 3.35Å; S1108-R1111 WeakPolarHBondContact O-CB 3.46Å; S1108-R1111 PolarHBondContact O-N 3.45Å; S1108-E1112 PolarHBondContact O-N 2.75Å
1109R97.6Very high97.1Very high148 Ų14899.6 Ų99.656%0.55849%0.487SS*.Hα-helixtrans-59.2-41.5176.5-176.5177.2-69.3176-1.6112.5L1105 R1111 E1112 E1113L1105-R1109 PolarHBondContact O-N 2.83Å; R1109-R1111 VanDerWaalsContact C-N 3.33Å; R1109-R1111 PolarHBondContact O-N 2.83Å; R1109-E1112 WeakPolarHBondContact O-CB 3.18Å; R1109-E1112 PolarHBondContact O-N 3.35Å; R1109-E1113 HydrophobicContact CG-CG 4.48Å; R1109-E1113 WeakPolarHBondContact O-CB 3.31Å; R1109-E1113 WeakPolarHBondContact O-CG 3.36Å; R1109-E1113 PolarHBondContact O-N 3Å
1110R97.5Very high97Very high159 Ų159100.1 Ų100.160%0.650%0.496SS*.Hα-helixtrans-62.5-38.1174.7-74.4171.1-175.7147.30.5112.5S1106 I1107 S1108 V1114S1106-R1110 VanDerWaalsContact O-CG 3.3Å; S1106-R1110 WeakPolarHBondContact O-CG 3.45Å; S1106-R1110 PolarHBondContact O-N 2.93Å; I1107-R1110 PolarHBondContact O-N 3.37Å; S1108-R1110 VanDerWaalsContact C-N 3.35Å; S1108-R1110 PolarHBondContact O-N 3.35Å; R1110-V1114 VanDerWaalsContact O-CG2 3.32Å; R1110-V1114 WeakPolarHBondContact O-CG2 3.33Å; R1110-V1114 PolarHBondContact O-N 3.16Å; R1110-V1114 VanDerWaalsContact O-N 3.11Å
1111R97.8Very high97Very high171 Ų171103.5 Ų103.565%0.64551%0.505SS*.Hα-helixtrans-66.6-43.7173.8-69.9171.1178.9175.8-0110.9I1107 S1108 R1109 V1114 L1115I1107-R1111 WeakPolarHBondContact O-CG 3.36Å; I1107-R1111 PolarHBondContact O-N 3.04Å; S1108-R1111 WeakPolarHBondContact O-CB 3.46Å; S1108-R1111 PolarHBondContact O-N 3.45Å; R1109-R1111 VanDerWaalsContact C-N 3.33Å; R1109-R1111 PolarHBondContact O-N 2.83Å; R1111-V1114 PolarHBondContact O-N 3.36Å; R1111-L1115 WeakPolarHBondContact O-CG 3.31Å; R1111-L1115 PolarHBondContact O-N 3.28Å
1112E96.7Very high97Very high102 Ų102104.5 Ų104.548%0.47750%0.503SS..Hα-helixtrans-58.5-49.5175.1-165-164.7158.700111.3S1108 R1109 V1114 L1115 Q1116S1108-E1112 PolarHBondContact O-N 2.75Å; R1109-E1112 WeakPolarHBondContact O-CB 3.18Å; R1109-E1112 PolarHBondContact O-N 3.35Å; E1112-V1114 VanDerWaalsContact C-N 3.29Å; E1112-V1114 PolarHBondContact O-N 2.76Å; E1112-L1115 PolarHBondContact O-N 3.46Å; E1112-L1115 VanDerWaalsContact O-N 3.15Å; E1112-Q1116 WeakPolarHBondContact O-CB 3.09Å; E1112-Q1116 VanDerWaalsContact O-CG 3.29Å; E1112-Q1116 WeakPolarHBondContact O-CG 3.18Å; E1112-Q1116 PolarHBondContact O-N 2.82Å; E1112-Q1116 PolarHBondContact OE1-NE2 3.14Å
1113E97.6Very high96.9Very high77 Ų77102.6 Ų102.636%0.3650%0.499SS..Hα-helixtrans-57.6-38.3175-75.9177-138.600112.8R1109 K1117R1109-E1113 HydrophobicContact CG-CG 4.48Å; R1109-E1113 WeakPolarHBondContact O-CB 3.31Å; R1109-E1113 WeakPolarHBondContact O-CG 3.36Å; R1109-E1113 PolarHBondContact O-N 3Å; E1113-K1117 WeakPolarHBondContact O-CB 3.45Å; E1113-K1117 WeakPolarHBondContact O-CD 3.39Å; E1113-K1117 WeakPolarHBondContact O-CG 3.44Å; E1113-K1117 PolarHBondContact O-N 2.76Å; E1113-K1117 IonicContact OE2-NZ 2.59Å; E1113-K1117 PolarHBondContact OE2-NZ 3.32Å
1114V97.4Very high96.8Very high77 Ų77101.9 Ų101.947%0.46750%0.496SS..Hα-helixtrans-69.7-42176.3168.10000111.1R1110 R1111 E1112 K1117 Q1118R1110-V1114 VanDerWaalsContact O-CG2 3.32Å; R1110-V1114 WeakPolarHBondContact O-CG2 3.33Å; R1110-V1114 PolarHBondContact O-N 3.16Å; R1110-V1114 VanDerWaalsContact O-N 3.11Å; R1111-V1114 PolarHBondContact O-N 3.36Å; E1112-V1114 VanDerWaalsContact C-N 3.29Å; E1112-V1114 PolarHBondContact O-N 2.76Å; V1114-K1117 PolarHBondContact O-N 3.11Å; V1114-Q1118 WeakPolarHBondContact O-CG 3.46Å; V1114-Q1118 PolarHBondContact O-N 3.46Å
1115L97.3Very high96.6Very high107 Ų107104.1 Ų104.156%0.5650%0.496SS*.Hα-helixtrans-66.4-40176-70.8168.8000111.9R1111 E1112 Q1118 L1119R1111-L1115 WeakPolarHBondContact O-CG 3.31Å; R1111-L1115 PolarHBondContact O-N 3.28Å; E1112-L1115 PolarHBondContact O-N 3.46Å; E1112-L1115 VanDerWaalsContact O-N 3.15Å; L1115-Q1118 PolarHBondContact O-N 3.05Å; L1115-L1119 VanDerWaalsContact O-CB 3.32Å; L1115-L1119 WeakPolarHBondContact O-CB 3.37Å; L1115-L1119 PolarHBondContact O-N 3.36Å
1116Q97.2Very high96.3Very high99 Ų99104.3 Ų104.346%0.46350%0.496SS..Hα-helixtrans-60.5-46.8171.5-72.21757.700110.6E1112 Q1118 L1119 T1120E1112-Q1116 WeakPolarHBondContact O-CB 3.09Å; E1112-Q1116 VanDerWaalsContact O-CG 3.29Å; E1112-Q1116 WeakPolarHBondContact O-CG 3.18Å; E1112-Q1116 PolarHBondContact O-N 2.82Å; E1112-Q1116 PolarHBondContact OE1-NE2 3.14Å; Q1116-Q1118 PolarHBondContact O-N 3.3Å; Q1116-L1119 PolarHBondContact O-N 3.37Å; Q1116-T1120 WeakPolarHBondContact O-CG2 3.4Å; Q1116-T1120 PolarHBondContact O-N 3.06Å; Q1116-T1120 PolarHBondContact O-OG1 2.81Å
1117K97.5Very high96Very high110 Ų110107.1 Ų107.148%0.47850%0.503SS..Hα-helixtrans-60.6-41.6175.8-73.3159.3-166.41590111.9E1113 V1114 T1120 R1121E1113-K1117 WeakPolarHBondContact O-CB 3.45Å; E1113-K1117 WeakPolarHBondContact O-CD 3.39Å; E1113-K1117 WeakPolarHBondContact O-CG 3.44Å; E1113-K1117 PolarHBondContact O-N 2.76Å; E1113-K1117 IonicContact OE2-NZ 2.59Å; E1113-K1117 PolarHBondContact OE2-NZ 3.32Å; V1114-K1117 PolarHBondContact O-N 3.11Å; K1117-T1120 WeakPolarHBondContact CA-OG1 3.09Å; K1117-T1120 PolarHBondContact O-OG1 3.33Å; K1117-R1121 WeakPolarHBondContact O-CG 3.48Å; K1117-R1121 PolarHBondContact O-N 3.02Å; K1117-R1121 VanDerWaalsContact O-N 3.08Å
1118Q97.6Very high95.6Very high99 Ų99108.4 Ų108.446%0.46351%0.507SS..Hα-helixtrans-64.4-45.6173.8-74.7174.3-10.300112.1V1114 L1115 Q1116 T1120 R1121 L1122V1114-Q1118 WeakPolarHBondContact O-CG 3.46Å; V1114-Q1118 PolarHBondContact O-N 3.46Å; L1115-Q1118 PolarHBondContact O-N 3.05Å; Q1116-Q1118 PolarHBondContact O-N 3.3Å; Q1118-T1120 PolarHBondContact O-N 3.07Å; Q1118-R1121 WeakPolarHBondContact O-CB 3.47Å; Q1118-R1121 PolarHBondContact O-N 2.82Å; Q1118-R1121 VanDerWaalsContact O-N 3.17Å; Q1118-L1122 WeakPolarHBondContact O-CG 3.24Å; Q1118-L1122 PolarHBondContact O-N 2.98Å
1119L96.9Very high95.4Very high105 Ų105107.2 Ų107.255%0.5550%0.502SS..Hα-helixtrans-63.1-39.9177.5-178.6136.5000111.8L1115 Q1116 R1121 L1122 L1123L1115-L1119 VanDerWaalsContact O-CB 3.32Å; L1115-L1119 WeakPolarHBondContact O-CB 3.37Å; L1115-L1119 PolarHBondContact O-N 3.36Å; Q1116-L1119 PolarHBondContact O-N 3.37Å; L1119-R1121 VanDerWaalsContact C-N 3.35Å; L1119-R1121 PolarHBondContact O-N 3.33Å; L1119-L1122 PolarHBondContact O-N 3.46Å; L1119-L1123 HydrophobicContact CD2-CD1 3.63Å; L1119-L1123 HydrophobicContact CD2-CG 4.43Å; L1119-L1123 HydrophobicContact CG-CD1 4.29Å; L1119-L1123 WeakPolarHBondContact O-CB 3.39Å; L1119-L1123 VanDerWaalsContact O-CG 3.27Å; L1119-L1123 WeakPolarHBondContact O-CG 3.34Å; L1119-L1123 PolarHBondContact O-N 2.61Å
1120T96.1Very high94.8Very high85 Ų85106.2 Ų106.252%0.52150%0.501SS..Hα-helixtrans-65.6-35173.552.40000113.1Q1116 K1117 Q1118 Q1124Q1116-T1120 WeakPolarHBondContact O-CG2 3.4Å; Q1116-T1120 PolarHBondContact O-N 3.06Å; Q1116-T1120 PolarHBondContact O-OG1 2.81Å; K1117-T1120 WeakPolarHBondContact CA-OG1 3.09Å; K1117-T1120 PolarHBondContact O-OG1 3.33Å; Q1118-T1120 PolarHBondContact O-N 3.07Å; T1120-Q1124 WeakPolarHBondContact O-CB 3.45Å; T1120-Q1124 PolarHBondContact O-N 3.47Å
1121R97.1Very high94.1Very high166 Ų166104.2 Ų104.263%0.62650%0.499SS*.Hα-helixtrans-66.2-51.4173-73.5173.2-176.8-176.9-1.6111.1K1117 Q1118 L1119 L1123 Q1124 E1125K1117-R1121 WeakPolarHBondContact O-CG 3.48Å; K1117-R1121 PolarHBondContact O-N 3.02Å; K1117-R1121 VanDerWaalsContact O-N 3.08Å; Q1118-R1121 WeakPolarHBondContact O-CB 3.47Å; Q1118-R1121 PolarHBondContact O-N 2.82Å; Q1118-R1121 VanDerWaalsContact O-N 3.17Å; L1119-R1121 VanDerWaalsContact C-N 3.35Å; L1119-R1121 PolarHBondContact O-N 3.33Å; R1121-L1123 VanDerWaalsContact C-N 3.27Å; R1121-L1123 PolarHBondContact O-N 2.79Å; R1121-Q1124 CarbonylContact O-C 3.58Å; R1121-Q1124 WeakPolarHBondContact O-CA 3.44Å; R1121-Q1124 PolarHBondContact O-N 2.77Å; R1121-E1125 WeakPolarHBondContact O-CB 3.27Å; R1121-E1125 WeakPolarHBondContact O-CG 2.77Å; R1121-E1125 PolarHBondContact O-N 3.16Å
1122L96.3Very high93.2Very high105 Ų105100 Ų10055%0.5550%0.501SS..Hα-helixtrans-59.9-35177.8-69.4170.7000112.8Q1118 L1119 M1126Q1118-L1122 WeakPolarHBondContact O-CG 3.24Å; Q1118-L1122 PolarHBondContact O-N 2.98Å; L1119-L1122 PolarHBondContact O-N 3.46Å; L1122-M1126 WeakPolarHBondContact O-CB 3.2Å; L1122-M1126 WeakPolarHBondContact O-CG 3.29Å; L1122-M1126 PolarHBondContact O-N 2.79Å
1123L95.8Very high92.5Very high95 Ų9598.7 Ų98.750%0.49750%0.495SS..Hα-helixtrans-69.3-37.9172.9-74.9173.8000112.6L1119 R1121 K1127L1119-L1123 HydrophobicContact CD2-CD1 3.63Å; L1119-L1123 HydrophobicContact CD2-CG 4.43Å; L1119-L1123 HydrophobicContact CG-CD1 4.29Å; L1119-L1123 WeakPolarHBondContact O-CB 3.39Å; L1119-L1123 VanDerWaalsContact O-CG 3.27Å; L1119-L1123 WeakPolarHBondContact O-CG 3.34Å; L1119-L1123 PolarHBondContact O-N 2.61Å; R1121-L1123 VanDerWaalsContact C-N 3.27Å; R1121-L1123 PolarHBondContact O-N 2.79Å; L1123-K1127 WeakPolarHBondContact O-CB 3.49Å; L1123-K1127 PolarHBondContact O-N 3.3Å
1124Q95.8Very high91.6Very high82 Ų8297.9 Ų97.938%0.38350%0.498SS..Hα-helixtrans-70.3-43.8175.1-179.760.920.300111.3T1120 R1121 M1126 K1127 E1128T1120-Q1124 WeakPolarHBondContact O-CB 3.45Å; T1120-Q1124 PolarHBondContact O-N 3.47Å; R1121-Q1124 CarbonylContact O-C 3.58Å; R1121-Q1124 WeakPolarHBondContact O-CA 3.44Å; R1121-Q1124 PolarHBondContact O-N 2.77Å; Q1124-M1126 VanDerWaalsContact C-N 3.34Å; Q1124-M1126 PolarHBondContact O-N 3.14Å; Q1124-K1127 CarbonylContact O-C 3.42Å; Q1124-K1127 WeakPolarHBondContact O-CA 3.2Å; Q1124-K1127 WeakPolarHBondContact O-CB 3.37Å; Q1124-K1127 PolarHBondContact O-N 3.04Å; Q1124-K1127 VanDerWaalsContact O-N 3.08Å; Q1124-E1128 WeakPolarHBondContact CG-OE1 3.36Å; Q1124-E1128 PolarHBondContact NE2-OE1 3.24Å; Q1124-E1128 WeakPolarHBondContact O-CB 3.39Å; Q1124-E1128 WeakPolarHBondContact O-CG 3.25Å; Q1124-E1128 PolarHBondContact O-N 3.14Å
1125E93.9Very high90.8Very high105 Ų10599.2 Ų99.249%0.49151%0.511SS..Hα-helixtrans-60.1-42172.4-69.9162.6-146.100111.3R1121 K1127 E1128 A1129R1121-E1125 WeakPolarHBondContact O-CB 3.27Å; R1121-E1125 WeakPolarHBondContact O-CG 2.77Å; R1121-E1125 PolarHBondContact O-N 3.16Å; E1125-K1127 VanDerWaalsContact C-N 3.31Å; E1125-K1127 PolarHBondContact O-N 2.76Å; E1125-E1128 PolarHBondContact O-N 2.93Å; E1125-A1129 WeakPolarHBondContact O-CB 3.37Å; E1125-A1129 PolarHBondContact O-N 3.47Å
1126M89.6Confident90.2Very high107 Ų107100.8 Ų100.853%0.52752%0.515SS..Hα-helixtrans-64.3-33.6172.9-81-93.778.700113L1122 Q1124 K1130L1122-M1126 WeakPolarHBondContact O-CB 3.2Å; L1122-M1126 WeakPolarHBondContact O-CG 3.29Å; L1122-M1126 PolarHBondContact O-N 2.79Å; Q1124-M1126 VanDerWaalsContact C-N 3.34Å; Q1124-M1126 PolarHBondContact O-N 3.14Å; M1126-K1130 WeakPolarHBondContact O-CB 3.22Å; M1126-K1130 WeakPolarHBondContact O-CD 3.1Å; M1126-K1130 VanDerWaalsContact O-CG 3.23Å; M1126-K1130 WeakPolarHBondContact O-CG 3.35Å; M1126-K1130 PolarHBondContact O-N 2.8Å; M1126-K1130 VanDerWaalsContact O-N 3.16Å
1127K91.5Very high89.6Confident100 Ų10098.5 Ų98.544%0.43551%0.508SS..Hα-helixtrans-72.1-48.8175.1178-171.3164.5-168.80110.7L1123 Q1124 E1125 A1129 K1130 E1131L1123-K1127 WeakPolarHBondContact O-CB 3.49Å; L1123-K1127 PolarHBondContact O-N 3.3Å; Q1124-K1127 CarbonylContact O-C 3.42Å; Q1124-K1127 WeakPolarHBondContact O-CA 3.2Å; Q1124-K1127 WeakPolarHBondContact O-CB 3.37Å; Q1124-K1127 PolarHBondContact O-N 3.04Å; Q1124-K1127 VanDerWaalsContact O-N 3.08Å; E1125-K1127 VanDerWaalsContact C-N 3.31Å; E1125-K1127 PolarHBondContact O-N 2.76Å; K1127-A1129 VanDerWaalsContact C-N 3.32Å; K1127-A1129 PolarHBondContact O-N 3.49Å; K1127-K1130 CarbonylContact O-C 3.59Å; K1127-K1130 WeakPolarHBondContact O-CA 3.45Å; K1127-K1130 WeakPolarHBondContact O-CB 3.32Å; K1127-K1130 PolarHBondContact O-N 3.31Å; K1127-K1130 VanDerWaalsContact O-N 3.09Å; K1127-E1131 WeakPolarHBondContact CE-OE1 3.5Å; K1127-E1131 IonicContact NZ-OE1 2.68Å; K1127-E1131 WeakPolarHBondContact O-CG 3.22Å; K1127-E1131 PolarHBondContact O-N 3.41Å
1128E90.3Very high89Confident104 Ų10497.7 Ų97.749%0.48650%0.504SS..Hα-helixtrans-60.5-41.2176.8-73.4172.5-168.700111.1Q1124 E1125 K1130 E1131 A1132Q1124-E1128 WeakPolarHBondContact CG-OE1 3.36Å; Q1124-E1128 PolarHBondContact NE2-OE1 3.24Å; Q1124-E1128 WeakPolarHBondContact O-CB 3.39Å; Q1124-E1128 WeakPolarHBondContact O-CG 3.25Å; Q1124-E1128 PolarHBondContact O-N 3.14Å; E1125-E1128 PolarHBondContact O-N 2.93Å; E1128-K1130 PolarHBondContact O-N 3.48Å; E1128-E1131 CarbonylContact O-C 3.42Å; E1128-E1131 PolarHBondContact O-N 2.96Å; E1128-A1132 WeakPolarHBondContact O-CB 3.45Å; E1128-A1132 PolarHBondContact O-N 2.85Å
1129A86Confident88.6Confident49 Ų4997.8 Ų97.841%0.40551%0.507SS..Hα-helixtrans-61.3-41172.500000112.4E1125 K1127 A1132 Q1133E1125-A1129 WeakPolarHBondContact O-CB 3.37Å; E1125-A1129 PolarHBondContact O-N 3.47Å; K1127-A1129 VanDerWaalsContact C-N 3.32Å; K1127-A1129 PolarHBondContact O-N 3.49Å; A1129-A1132 CarbonylContact O-C 3.59Å; A1129-A1132 PolarHBondContact O-N 3.33Å; A1129-Q1133 WeakPolarHBondContact O-CG 3.26Å; A1129-Q1133 PolarHBondContact O-N 2.8Å
1130K84.4Confident88.3Confident126 Ų12697.1 Ų97.155%0.54850%0.504SS..Hα-helixtrans-67-38.5173.8-75.8170.2-178.4-179.60112.3M1126 K1127 E1128 A1132 Q1133M1126-K1130 WeakPolarHBondContact O-CB 3.22Å; M1126-K1130 WeakPolarHBondContact O-CD 3.1Å; M1126-K1130 VanDerWaalsContact O-CG 3.23Å; M1126-K1130 WeakPolarHBondContact O-CG 3.35Å; M1126-K1130 PolarHBondContact O-N 2.8Å; M1126-K1130 VanDerWaalsContact O-N 3.16Å; K1127-K1130 CarbonylContact O-C 3.59Å; K1127-K1130 WeakPolarHBondContact O-CA 3.45Å; K1127-K1130 WeakPolarHBondContact O-CB 3.32Å; K1127-K1130 PolarHBondContact O-N 3.31Å; K1127-K1130 VanDerWaalsContact O-N 3.09Å; E1128-K1130 PolarHBondContact O-N 3.48Å; K1130-A1132 VanDerWaalsContact C-N 3.33Å; K1130-Q1133 WeakPolarHBondContact O-CB 3.43Å; K1130-Q1133 PolarHBondContact O-N 3.32Å
1131E82.5Confident87.9Confident118 Ų11895.3 Ų95.355%0.55149%0.494SS*.Hα-helixtrans-72-28.1175.9-72.4175.1-176.800111.9K1127 E1128 K1138K1127-E1131 WeakPolarHBondContact CE-OE1 3.5Å; K1127-E1131 IonicContact NZ-OE1 2.68Å; K1127-E1131 WeakPolarHBondContact O-CG 3.22Å; K1127-E1131 PolarHBondContact O-N 3.41Å; E1128-E1131 CarbonylContact O-C 3.42Å; E1128-E1131 PolarHBondContact O-N 2.96Å; E1131-K1138 PolarHBondContact O-NZ 3.2Å
1132A80.3Confident87.6Confident83 Ų8389.5 Ų89.569%0.68648%0.479SS*.THydrogen-bonded Turntrans-85-5.8173.400000114.6E1128 A1129 K1130E1128-A1132 WeakPolarHBondContact O-CB 3.45Å; E1128-A1132 PolarHBondContact O-N 2.85Å; A1129-A1132 CarbonylContact O-C 3.59Å; A1129-A1132 PolarHBondContact O-N 3.33Å; K1130-A1132 VanDerWaalsContact C-N 3.33Å
1133Q80.8Confident87.5Confident73 Ų7388.6 Ų88.634%0.34147%0.474SS..SBendtrans-53.8148.9176.5-82.2173.4-400112.4A1129 K1130 V1137 K1138A1129-Q1133 WeakPolarHBondContact O-CG 3.26Å; A1129-Q1133 PolarHBondContact O-N 2.8Å; K1130-Q1133 WeakPolarHBondContact O-CB 3.43Å; K1130-Q1133 PolarHBondContact O-N 3.32Å; Q1133-V1137 HydrophobicContact CB-CB 4.31Å; Q1133-V1137 HydrophobicContact CB-CG1 4.47Å; Q1133-V1137 HydrophobicContact CG-CG1 4.29Å; Q1133-K1138 VanDerWaalsContact O-CE 3.24Å; Q1133-K1138 WeakPolarHBondContact O-CE 3.15Å; Q1133-K1138 PolarHBondContact O-NZ 2.8Å
1134S80.3Confident87.4Confident61 Ų6189.3 Ų89.343%0.42748%0.475SS..  trans-58.9155.9176.569.50000111.8E1136 V1137 K1138S1134-E1136 PolarHBondContact O-N 2.79Å; S1134-V1137 PolarHBondContact O-N 3.39Å; S1134-V1137 PolarHBondContact OG-N 3.48Å; S1134-K1138 PolarHBondContact O-N 3.46Å
1135S80.8Confident87.3Confident105 Ų10593.5 Ų93.573%0.73449%0.487SS*.Hα-helixtrans-57.2-27.5174.244.50000112.8L1139S1135-L1139 WeakPolarHBondContact O-CB 3.32Å; S1135-L1139 PolarHBondContact O-N 3.04Å
1136E82.8Confident87.5Confident139 Ų13993.9 Ų93.965%0.6549%0.487SS*.Hα-helixtrans-69.2-48.1176.9-174.3171.4-152.700112.5S1134 K1138 L1139 L1140S1134-E1136 PolarHBondContact O-N 2.79Å; E1136-K1138 VanDerWaalsContact C-N 3.29Å; E1136-K1138 PolarHBondContact O-N 3.3Å; E1136-L1139 WeakPolarHBondContact O-CA 3.4Å; E1136-L1139 WeakPolarHBondContact O-CB 3.41Å; E1136-L1139 PolarHBondContact O-N 3.28Å; E1136-L1139 VanDerWaalsContact O-N 3.09Å; E1136-L1140 WeakPolarHBondContact O-CG 3.46Å; E1136-L1140 PolarHBondContact O-N 3.33Å
1137V85Confident87.8Confident52 Ų5293 Ų9332%0.31548%0.484SS..Hα-helixtrans-64.4-37.5175.6179.90000110.8Q1133 S1134 L1139 L1140 C1141Q1133-V1137 HydrophobicContact CB-CB 4.31Å; Q1133-V1137 HydrophobicContact CB-CG1 4.47Å; Q1133-V1137 HydrophobicContact CG-CG1 4.29Å; S1134-V1137 PolarHBondContact O-N 3.39Å; S1134-V1137 PolarHBondContact OG-N 3.48Å; V1137-L1139 VanDerWaalsContact C-N 3.29Å; V1137-L1139 PolarHBondContact O-N 3.1Å; V1137-L1140 PolarHBondContact O-N 2.86Å; V1137-C1141 PolarHBondContact O-N 2.91Å
1138K85.8Confident88Confident93 Ų9393.1 Ų93.140%0.40449%0.488SS..Hα-helixtrans-64.2-32.4173.7-72.5163.5176.3157.80112.8E1131 Q1133 S1134 E1136 S1142E1131-K1138 PolarHBondContact O-NZ 3.2Å; Q1133-K1138 VanDerWaalsContact O-CE 3.24Å; Q1133-K1138 WeakPolarHBondContact O-CE 3.15Å; Q1133-K1138 PolarHBondContact O-NZ 2.8Å; S1134-K1138 PolarHBondContact O-N 3.46Å; E1136-K1138 VanDerWaalsContact C-N 3.29Å; E1136-K1138 PolarHBondContact O-N 3.3Å; K1138-S1142 PolarHBondContact O-N 2.84Å
1139L88.5Confident88.3Confident101 Ų10190.8 Ų90.853%0.52948%0.483SS..Hα-helixtrans-69.1-46.8171.418065.2000110.9S1135 E1136 V1137 C1141 S1142 L1143S1135-L1139 WeakPolarHBondContact O-CB 3.32Å; S1135-L1139 PolarHBondContact O-N 3.04Å; E1136-L1139 WeakPolarHBondContact O-CA 3.4Å; E1136-L1139 WeakPolarHBondContact O-CB 3.41Å; E1136-L1139 PolarHBondContact O-N 3.28Å; E1136-L1139 VanDerWaalsContact O-N 3.09Å; V1137-L1139 VanDerWaalsContact C-N 3.29Å; V1137-L1139 PolarHBondContact O-N 3.1Å; L1139-C1141 PolarHBondContact O-N 3.17Å; L1139-S1142 WeakPolarHBondContact O-CA 3.26Å; L1139-S1142 WeakPolarHBondContact O-CB 3.43Å; L1139-S1142 PolarHBondContact O-N 2.76Å; L1139-S1142 PolarHBondContact O-OG 3.39Å; L1139-L1143 HydrophobicContact CG-CD1 4.38Å; L1139-L1143 PolarHBondContact O-N 2.87Å
1140L90.4Very high88.9Confident91 Ų9192.7 Ų92.748%0.47649%0.485SS..Hα-helixtrans-56.1-50.1175.8-67.3173.7000111.3E1136 V1137 S1142 L1143 E1144E1136-L1140 WeakPolarHBondContact O-CG 3.46Å; E1136-L1140 PolarHBondContact O-N 3.33Å; V1137-L1140 PolarHBondContact O-N 2.86Å; L1140-S1142 PolarHBondContact O-N 2.76Å; L1140-S1142 VanDerWaalsContact O-N 3.08Å; L1140-L1143 CarbonylContact O-C 3.52Å; L1140-L1143 WeakPolarHBondContact O-CA 3.36Å; L1140-L1143 WeakPolarHBondContact O-CB 3.38Å; L1140-L1143 PolarHBondContact O-N 2.8Å; L1140-E1144 WeakPolarHBondContact O-CG 3.24Å; L1140-E1144 PolarHBondContact O-N 3.34Å
1141C88Confident89.4Confident47 Ų4792 Ų9232%0.31848%0.484SS..Hα-helixtrans-67.7-8.2175.4-63.90000114.5V1137 L1139 E1144 R1145V1137-C1141 PolarHBondContact O-N 2.91Å; L1139-C1141 PolarHBondContact O-N 3.17Å; C1141-E1144 WeakPolarHBondContact CA-OE2 3.47Å; C1141-E1144 PolarHBondContact SG-OE2 2.92Å; C1141-R1145 PolarHBondContact O-NE 2.76Å; C1141-R1145 PolarHBondContact O-NH2 2.91Å
1142S91Very high90Very high44 Ų4491.6 Ų91.631%0.30849%0.485SS..Hα-helixtrans-87.4-34.1165.982.90000112.3K1138 L1139 L1140 K1146K1138-S1142 PolarHBondContact O-N 2.84Å; L1139-S1142 WeakPolarHBondContact O-CA 3.26Å; L1139-S1142 WeakPolarHBondContact O-CB 3.43Å; L1139-S1142 PolarHBondContact O-N 2.76Å; L1139-S1142 PolarHBondContact O-OG 3.39Å; L1140-S1142 PolarHBondContact O-N 2.76Å; L1140-S1142 VanDerWaalsContact O-N 3.08Å; S1142-K1146 WeakPolarHBondContact O-CB 3.21Å; S1142-K1146 PolarHBondContact O-N 3.45Å
1143L94.4Very high90.8Very high86 Ų8693.2 Ų93.245%0.4547%0.473SS..Hα-helixtrans-71-42.5175.2-66.2171.9000111.4L1139 L1140 R1145 K1146 I1147L1139-L1143 HydrophobicContact CG-CD1 4.38Å; L1139-L1143 PolarHBondContact O-N 2.87Å; L1140-L1143 CarbonylContact O-C 3.52Å; L1140-L1143 WeakPolarHBondContact O-CA 3.36Å; L1140-L1143 WeakPolarHBondContact O-CB 3.38Å; L1140-L1143 PolarHBondContact O-N 2.8Å; L1143-R1145 PolarHBondContact O-N 3.06Å; L1143-K1146 CarbonylContact O-C 3.49Å; L1143-K1146 WeakPolarHBondContact O-CA 3.41Å; L1143-K1146 WeakPolarHBondContact O-CB 3.41Å; L1143-K1146 PolarHBondContact O-N 3.45Å; L1143-I1147 VanDerWaalsContact O-CG1 3.3Å; L1143-I1147 WeakPolarHBondContact O-CG1 3.48Å; L1143-I1147 PolarHBondContact O-N 2.95Å
1144E92.8Very high91.5Very high109 Ų10994.8 Ų94.851%0.50948%0.48SS..Hα-helixtrans-55-52.6173.1-69.3170157.900111.3L1140 C1141 K1146 I1147 I1148L1140-E1144 WeakPolarHBondContact O-CG 3.24Å; L1140-E1144 PolarHBondContact O-N 3.34Å; C1141-E1144 WeakPolarHBondContact CA-OE2 3.47Å; C1141-E1144 PolarHBondContact SG-OE2 2.92Å; E1144-K1146 PolarHBondContact O-N 2.8Å; E1144-I1147 PolarHBondContact O-N 3.37Å; E1144-I1147 VanDerWaalsContact O-N 3.12Å; E1144-I1148 WeakPolarHBondContact O-CG1 3.3Å; E1144-I1148 PolarHBondContact O-N 3.05Å
1145R94.7Very high92.3Very high170 Ų17096.2 Ų96.264%0.64248%0.48SS*.Hα-helixtrans-59.5-32.8174.4-76.2-178.9-70.2155.9-0.8112.6C1141 L1143 S1149C1141-R1145 PolarHBondContact O-NE 2.76Å; C1141-R1145 PolarHBondContact O-NH2 2.91Å; L1143-R1145 PolarHBondContact O-N 3.06Å; R1145-S1149 WeakPolarHBondContact O-CB 3.31Å; R1145-S1149 PolarHBondContact O-N 3.38Å; R1145-S1149 VanDerWaalsContact O-N 3.08Å
1146K97.3Very high93Very high113 Ų11396.2 Ų96.249%0.49147%0.468SS..Hα-helixtrans-71.9-39.5175.9-17558175.2-176.50112S1142 L1143 E1144 S1149 M1150S1142-K1146 WeakPolarHBondContact O-CB 3.21Å; S1142-K1146 PolarHBondContact O-N 3.45Å; L1143-K1146 CarbonylContact O-C 3.49Å; L1143-K1146 WeakPolarHBondContact O-CA 3.41Å; L1143-K1146 WeakPolarHBondContact O-CB 3.41Å; L1143-K1146 PolarHBondContact O-N 3.45Å; E1144-K1146 PolarHBondContact O-N 2.8Å; K1146-S1149 CarbonylContact O-C 3.55Å; K1146-S1149 WeakPolarHBondContact O-CB 3.35Å; K1146-S1149 PolarHBondContact O-N 3.27Å; K1146-M1150 WeakPolarHBondContact O-CG 3.23Å; K1146-M1150 PolarHBondContact O-N 3.33Å
1147I95.6Very high93.7Very high88 Ų8895.2 Ų95.245%0.45146%0.458SS..Hα-helixtrans-63.5-52.5176.8-71.3162.7000109.9L1143 E1144 S1149 M1150 E1151L1143-I1147 VanDerWaalsContact O-CG1 3.3Å; L1143-I1147 WeakPolarHBondContact O-CG1 3.48Å; L1143-I1147 PolarHBondContact O-N 2.95Å; E1144-I1147 PolarHBondContact O-N 3.37Å; E1144-I1147 VanDerWaalsContact O-N 3.12Å; I1147-S1149 VanDerWaalsContact C-N 3.26Å; I1147-S1149 PolarHBondContact O-N 2.92Å; I1147-M1150 CarbonylContact O-C 3.58Å; I1147-M1150 VanDerWaalsContact O-CA 3.31Å; I1147-M1150 WeakPolarHBondContact O-CA 3.38Å; I1147-M1150 VanDerWaalsContact O-CB 3.31Å; I1147-M1150 WeakPolarHBondContact O-CB 3.46Å; I1147-M1150 PolarHBondContact O-N 2.78Å; I1147-E1151 HydrophobicContact CG2-CG 4.27Å; I1147-E1151 WeakPolarHBondContact CG2-OE1 3.41Å; I1147-E1151 WeakPolarHBondContact O-CG 3.46Å; I1147-E1151 PolarHBondContact O-N 3.48Å
1148I96.6Very high94.2Very high104 Ų10498 Ų9853%0.53347%0.468SS..Hα-helixtrans-56.3-41.9174.9-61.4166.2000110.8E1144 M1150 E1151 L1152E1144-I1148 WeakPolarHBondContact O-CG1 3.3Å; E1144-I1148 PolarHBondContact O-N 3.05Å; I1148-M1150 VanDerWaalsContact C-N 3.26Å; I1148-M1150 PolarHBondContact O-N 3.34Å; I1148-E1151 WeakPolarHBondContact CA-OE2 3.35Å; I1148-E1151 PolarHBondContact O-N 3.33Å; I1148-L1152 WeakPolarHBondContact O-CB 3.27Å; I1148-L1152 PolarHBondContact O-N 3.26Å
1149S97.3Very high94.6Very high55 Ų5599 Ų9939%0.38547%0.472SS..Hα-helixtrans-66.6-22.31741790000113.6R1145 K1146 I1147 R1153R1145-S1149 WeakPolarHBondContact O-CB 3.31Å; R1145-S1149 PolarHBondContact O-N 3.38Å; R1145-S1149 VanDerWaalsContact O-N 3.08Å; K1146-S1149 CarbonylContact O-C 3.55Å; K1146-S1149 WeakPolarHBondContact O-CB 3.35Å; K1146-S1149 PolarHBondContact O-N 3.27Å; I1147-S1149 VanDerWaalsContact C-N 3.26Å; I1147-S1149 PolarHBondContact O-N 2.92Å; S1149-R1153 WeakPolarHBondContact O-CG 3.06Å; S1149-R1153 PolarHBondContact O-NE 2.76Å; S1149-R1153 PolarHBondContact O-NH2 2.79Å
1150M96.9Very high95Very high89 Ų8998.6 Ų98.644%0.43847%0.468SS..Hα-helixtrans-80.6-49.1170-55.3-126.6-6700110.5K1146 I1147 I1148 L1152 R1153 H1154K1146-M1150 WeakPolarHBondContact O-CG 3.23Å; K1146-M1150 PolarHBondContact O-N 3.33Å; I1147-M1150 CarbonylContact O-C 3.58Å; I1147-M1150 VanDerWaalsContact O-CA 3.31Å; I1147-M1150 WeakPolarHBondContact O-CA 3.38Å; I1147-M1150 VanDerWaalsContact O-CB 3.31Å; I1147-M1150 WeakPolarHBondContact O-CB 3.46Å; I1147-M1150 PolarHBondContact O-N 2.78Å; I1148-M1150 VanDerWaalsContact C-N 3.26Å; I1148-M1150 PolarHBondContact O-N 3.34Å; M1150-L1152 PolarHBondContact O-N 3.29Å; M1150-R1153 CarbonylContact O-C 3.6Å; M1150-R1153 WeakPolarHBondContact O-CA 3.37Å; M1150-R1153 PolarHBondContact O-N 3.28Å; M1150-H1154 PolarHBondContact O-CD2 3.22Å; M1150-H1154 VanDerWaalsContact O-CD2 3.32Å; M1150-H1154 PolarHBondContact O-N 3.41Å
1151E95.6Very high95.2Very high111 Ų11199.8 Ų99.852%0.51947%0.474SS..Hα-helixtrans-54.9-51.1-179.2-70.1165.4159.500111.7I1147 I1148 R1153 H1154 E1155I1147-E1151 HydrophobicContact CG2-CG 4.27Å; I1147-E1151 WeakPolarHBondContact CG2-OE1 3.41Å; I1147-E1151 WeakPolarHBondContact O-CG 3.46Å; I1147-E1151 PolarHBondContact O-N 3.48Å; I1148-E1151 WeakPolarHBondContact CA-OE2 3.35Å; I1148-E1151 PolarHBondContact O-N 3.33Å; E1151-R1153 PolarHBondContact O-N 3.08Å; E1151-H1154 CarbonylContact O-C 3.58Å; E1151-H1154 WeakPolarHBondContact O-CA 3.48Å; E1151-H1154 WeakPolarHBondContact O-CB 3.36Å; E1151-H1154 PolarHBondContact O-N 3.28Å; E1151-E1155 PolarHBondContact O-N 3.16Å
1152L96.3Very high95.6Very high109 Ų109102.7 Ų102.757%0.57148%0.483SS*.Hα-helixtrans-62.9-28.8177.4-171.4146.2000112.7I1148 M1150 H1156I1148-L1152 WeakPolarHBondContact O-CB 3.27Å; I1148-L1152 PolarHBondContact O-N 3.26Å; M1150-L1152 PolarHBondContact O-N 3.29Å; L1152-H1156 WeakPolarHBondContact O-CB 3.13Å; L1152-H1156 PolarHBondContact O-N 2.83Å
1153R96.8Very high95.8Very high117 Ų117106 Ų10644%0.44249%0.494SS..Hα-helixtrans-84.4-11.3171.5-71.2-175.9-63.4131.817.1113.4S1149 M1150 E1151 R1157S1149-R1153 WeakPolarHBondContact O-CG 3.06Å; S1149-R1153 PolarHBondContact O-NE 2.76Å; S1149-R1153 PolarHBondContact O-NH2 2.79Å; M1150-R1153 CarbonylContact O-C 3.6Å; M1150-R1153 WeakPolarHBondContact O-CA 3.37Å; M1150-R1153 PolarHBondContact O-N 3.28Å; E1151-R1153 PolarHBondContact O-N 3.08Å; R1153-R1157 PolarHBondContact O-NE 2.78Å; R1153-R1157 PolarHBondContact O-NH2 3.3Å; R1153-R1157 VanDerWaalsContact O-NH2 3.07Å
1154H95.6Very high95.9Very high106 Ų106105.8 Ų105.849%0.49150%0.496SS..Hα-helixtrans-83-50.3166.4-89.6-92.4000109.2M1150 E1151 H1156 R1157 E1158M1150-H1154 PolarHBondContact O-CD2 3.22Å; M1150-H1154 VanDerWaalsContact O-CD2 3.32Å; M1150-H1154 PolarHBondContact O-N 3.41Å; E1151-H1154 CarbonylContact O-C 3.58Å; E1151-H1154 WeakPolarHBondContact O-CA 3.48Å; E1151-H1154 WeakPolarHBondContact O-CB 3.36Å; E1151-H1154 PolarHBondContact O-N 3.28Å; H1154-H1156 VanDerWaalsContact C-N 3.33Å; H1154-H1156 PolarHBondContact O-N 2.84Å; H1154-R1157 PolarHBondContact CD2-NH2 3.44Å; H1154-R1157 PolarHBondContact CE1-NH2 2.86Å; H1154-R1157 VanDerWaalsContact CG-NH2 3.29Å; H1154-R1157 PolarHBondContact ND1-NH2 2.92Å; H1154-R1157 PolarHBondContact NE2-NH2 3.19Å; H1154-R1157 CarbonylContact O-C 3.54Å; H1154-R1157 PolarHBondContact O-N 3.42Å; H1154-R1157 VanDerWaalsContact O-N 3.11Å; H1154-E1158 WeakPolarHBondContact O-CB 3.38Å; H1154-E1158 PolarHBondContact O-N 2.84Å
1155E96.2Very high96Very high91 Ų91104.2 Ų104.243%0.42549%0.494SS..Hα-helixtrans-54.6-43.8175.3-169.8-163.8169.900112.4E1151 E1158 K1159E1151-E1155 PolarHBondContact O-N 3.16Å; E1155-E1158 PolarHBondContact O-N 2.9Å; E1155-K1159 WeakPolarHBondContact O-CG 3.39Å; E1155-K1159 PolarHBondContact O-N 3.22Å; E1155-K1159 WeakPolarHBondContact OE1-CE 3.25Å; E1155-K1159 IonicContact OE1-NZ 3.16Å; E1155-K1159 PolarHBondContact OE1-NZ 3.32Å
1156H96Very high95.9Very high105 Ų10598.2 Ų98.249%0.48648%0.48SS..Hα-helixtrans-61.5-47175.6-177.5-6.5000112.3L1152 H1154 E1158 K1159 E1160L1152-H1156 WeakPolarHBondContact O-CB 3.13Å; L1152-H1156 PolarHBondContact O-N 2.83Å; H1154-H1156 VanDerWaalsContact C-N 3.33Å; H1154-H1156 PolarHBondContact O-N 2.84Å; H1156-E1158 VanDerWaalsContact C-N 3.3Å; H1156-E1158 PolarHBondContact O-N 2.86Å; H1156-K1159 PolarHBondContact O-N 2.83Å; H1156-E1160 VanDerWaalsContact CE1-CD 3.48Å; H1156-E1160 IonicContact CE1-OE1 2.66Å; H1156-E1160 PolarHBondContact CE1-OE1 2.83Å; H1156-E1160 IonicContact ND1-OE1 3.16Å; H1156-E1160 IonicContact ND1-OE2 2.66Å; H1156-E1160 IonicContact NE2-OE1 3.75Å; H1156-E1160 WeakPolarHBondContact O-CG 3.28Å; H1156-E1160 PolarHBondContact O-N 2.85Å
1157R97.1Very high95.8Very high118 Ų11897.1 Ų97.145%0.44548%0.477SS..Hα-helixtrans-67-31.9177-81.4179.2-68.2148.26.4112.3R1153 H1154 E1160 L1161R1153-R1157 PolarHBondContact O-NE 2.78Å; R1153-R1157 PolarHBondContact O-NH2 3.3Å; R1153-R1157 VanDerWaalsContact O-NH2 3.07Å; H1154-R1157 PolarHBondContact CD2-NH2 3.44Å; H1154-R1157 PolarHBondContact CE1-NH2 2.86Å; H1154-R1157 VanDerWaalsContact CG-NH2 3.29Å; H1154-R1157 PolarHBondContact ND1-NH2 2.92Å; H1154-R1157 PolarHBondContact NE2-NH2 3.19Å; H1154-R1157 CarbonylContact O-C 3.54Å; H1154-R1157 PolarHBondContact O-N 3.42Å; H1154-R1157 VanDerWaalsContact O-N 3.11Å; R1157-E1160 WeakPolarHBondContact CA-OE2 3.34Å; R1157-E1160 PolarHBondContact O-N 2.76Å; R1157-L1161 WeakPolarHBondContact O-CB 3.36Å; R1157-L1161 VanDerWaalsContact O-CG 3.24Å; R1157-L1161 WeakPolarHBondContact O-CG 3.32Å; R1157-L1161 PolarHBondContact O-N 3.5Å
1158E94.5Very high95.7Very high111 Ų11197 Ų9752%0.51948%0.48SS..Hα-helixtrans-66.5-43.1175.3-163.7-175.815600110.7H1154 E1155 H1156 L1161 Q1162H1154-E1158 WeakPolarHBondContact O-CB 3.38Å; H1154-E1158 PolarHBondContact O-N 2.84Å; E1155-E1158 PolarHBondContact O-N 2.9Å; H1156-E1158 VanDerWaalsContact C-N 3.3Å; H1156-E1158 PolarHBondContact O-N 2.86Å; E1158-L1161 PolarHBondContact O-N 2.91Å; E1158-Q1162 WeakPolarHBondContact O-CB 3.4Å; E1158-Q1162 VanDerWaalsContact O-CG 3.23Å; E1158-Q1162 WeakPolarHBondContact O-CG 3.5Å; E1158-Q1162 PolarHBondContact O-N 2.92Å; E1158-Q1162 PolarHBondContact OE1-NE2 3.37Å
1159K94.9Very high95.5Very high113 Ų11398.6 Ų98.649%0.49148%0.483SS..Hα-helixtrans-62.3-41.4173.2-70.4169.5-174.6171.70112.4E1155 H1156 Q1162 Q1163E1155-K1159 WeakPolarHBondContact O-CG 3.39Å; E1155-K1159 PolarHBondContact O-N 3.22Å; E1155-K1159 WeakPolarHBondContact OE1-CE 3.25Å; E1155-K1159 IonicContact OE1-NZ 3.16Å; E1155-K1159 PolarHBondContact OE1-NZ 3.32Å; H1156-K1159 PolarHBondContact O-N 2.83Å; K1159-Q1162 PolarHBondContact O-N 3.3Å; K1159-Q1163 WeakPolarHBondContact O-CB 3.25Å; K1159-Q1163 PolarHBondContact O-N 2.85Å
1160E96.3Very high95.3Very high94 Ų9499.9 Ų99.944%0.43948%0.484SS..Hα-helixtrans-60.5-45.3173.2-69.8172.9143.700111.7H1156 R1157 Q1163 V1164H1156-E1160 VanDerWaalsContact CE1-CD 3.48Å; H1156-E1160 IonicContact CE1-OE1 2.66Å; H1156-E1160 PolarHBondContact CE1-OE1 2.83Å; H1156-E1160 IonicContact ND1-OE1 3.16Å; H1156-E1160 IonicContact ND1-OE2 2.66Å; H1156-E1160 IonicContact NE2-OE1 3.75Å; H1156-E1160 WeakPolarHBondContact O-CG 3.28Å; H1156-E1160 PolarHBondContact O-N 2.85Å; R1157-E1160 WeakPolarHBondContact CA-OE2 3.34Å; R1157-E1160 PolarHBondContact O-N 2.76Å; E1160-Q1163 PolarHBondContact O-N 2.69Å; E1160-V1164 WeakPolarHBondContact O-CG2 3.39Å; E1160-V1164 PolarHBondContact O-N 2.92Å
1161L96.1Very high95.1Very high116 Ų116101.8 Ų101.861%0.60749%0.493SS*.Hα-helixtrans-67-41.6177.6-72.2168.6000112.3R1157 E1158 Q1163 V1164 V1165R1157-L1161 WeakPolarHBondContact O-CB 3.36Å; R1157-L1161 VanDerWaalsContact O-CG 3.24Å; R1157-L1161 WeakPolarHBondContact O-CG 3.32Å; R1157-L1161 PolarHBondContact O-N 3.5Å; E1158-L1161 PolarHBondContact O-N 2.91Å; L1161-Q1163 VanDerWaalsContact C-N 3.32Å; L1161-Q1163 PolarHBondContact O-N 3.08Å; L1161-V1164 PolarHBondContact O-N 2.94Å; L1161-V1165 WeakPolarHBondContact O-CB 3.34Å; L1161-V1165 VanDerWaalsContact O-CG2 3.26Å; L1161-V1165 WeakPolarHBondContact O-CG2 3.46Å; L1161-V1165 PolarHBondContact O-N 2.95Å
1162Q95Very high94.8Very high108 Ų10899.9 Ų99.951%0.50549%0.492SS..Hα-helixtrans-61.1-40.5174.3-73.4173.210.600111.2E1158 K1159 A1166E1158-Q1162 WeakPolarHBondContact O-CB 3.4Å; E1158-Q1162 VanDerWaalsContact O-CG 3.23Å; E1158-Q1162 WeakPolarHBondContact O-CG 3.5Å; E1158-Q1162 PolarHBondContact O-N 2.92Å; E1158-Q1162 PolarHBondContact OE1-NE2 3.37Å; K1159-Q1162 PolarHBondContact O-N 3.3Å; Q1162-A1166 WeakPolarHBondContact O-CB 3.45Å; Q1162-A1166 PolarHBondContact O-N 3.11Å
1163Q95.4Very high94.7Very high114 Ų11496.7 Ų96.753%0.53348%0.477SS..Hα-helixtrans-63.2-51.8173.7178.1175.2-11.400111.6K1159 E1160 L1161 V1165 A1166 E1167K1159-Q1163 WeakPolarHBondContact O-CB 3.25Å; K1159-Q1163 PolarHBondContact O-N 2.85Å; E1160-Q1163 PolarHBondContact O-N 2.69Å; L1161-Q1163 VanDerWaalsContact C-N 3.32Å; L1161-Q1163 PolarHBondContact O-N 3.08Å; Q1163-V1165 VanDerWaalsContact C-N 3.27Å; Q1163-V1165 PolarHBondContact O-N 3.37Å; Q1163-A1166 PolarHBondContact O-N 2.79Å; Q1163-A1166 VanDerWaalsContact O-N 3.08Å; Q1163-E1167 HydrophobicContact CG-CG 4.31Å; Q1163-E1167 VanDerWaalsContact CG-OE1 3.3Å; Q1163-E1167 WeakPolarHBondContact CG-OE1 3.22Å; Q1163-E1167 PolarHBondContact NE2-OE1 3.18Å; Q1163-E1167 WeakPolarHBondContact O-CB 3.33Å; Q1163-E1167 WeakPolarHBondContact O-CG 3.21Å; Q1163-E1167 PolarHBondContact O-N 2.9Å
1164V96.1Very high94.5Very high80 Ų8093 Ų9349%0.48547%0.472SS..Hα-helixtrans-58.9-38.8179.1169.80000111.6E1160 L1161 T1168E1160-V1164 WeakPolarHBondContact O-CG2 3.39Å; E1160-V1164 PolarHBondContact O-N 2.92Å; L1161-V1164 PolarHBondContact O-N 2.94Å; V1164-T1168 WeakPolarHBondContact O-CB 3.26Å; V1164-T1168 PolarHBondContact O-N 3.13Å; V1164-T1168 PolarHBondContact O-OG1 2.87Å
1165V95Very high94.3Very high77 Ų7793 Ų9347%0.46748%0.475SS..Hα-helixtrans-65.6-45.1174.5168.10000111.3L1161 Q1163 T1168 F1169L1161-V1165 WeakPolarHBondContact O-CB 3.34Å; L1161-V1165 VanDerWaalsContact O-CG2 3.26Å; L1161-V1165 WeakPolarHBondContact O-CG2 3.46Å; L1161-V1165 PolarHBondContact O-N 2.95Å; Q1163-V1165 VanDerWaalsContact C-N 3.27Å; Q1163-V1165 PolarHBondContact O-N 3.37Å; V1165-T1168 PolarHBondContact O-N 3.06Å; V1165-F1169 HydrophobicContact CG1-CD2 3.67Å; V1165-F1169 HydrophobicContact CG1-CE2 3.52Å; V1165-F1169 VanDerWaalsContact O-CD2 3.23Å; V1165-F1169 WeakPolarHBondContact O-CD2 3.5Å; V1165-F1169 PolarHBondContact O-N 2.94Å
1166A94Very high94.2Very high44 Ų4494 Ų9436%0.36448%0.483SS..Hα-helixtrans-65.8-36.7177.800000113Q1162 Q1163 Q1170Q1162-A1166 WeakPolarHBondContact O-CB 3.45Å; Q1162-A1166 PolarHBondContact O-N 3.11Å; Q1163-A1166 PolarHBondContact O-N 2.79Å; Q1163-A1166 VanDerWaalsContact O-N 3.08Å; A1166-Q1170 WeakPolarHBondContact O-CB 3.23Å; A1166-Q1170 WeakPolarHBondContact O-CG 3.48Å; A1166-Q1170 PolarHBondContact O-N 2.98Å; A1166-Q1170 PolarHBondContact O-NE2 3.23Å
1167E94.5Very high94.1Very high90 Ų9091 Ų9142%0.42147%0.469SS..Hα-helixtrans-66.4-45.2172.8-72.6172.6-18000110.9Q1163 F1169 Q1170 M1171Q1163-E1167 HydrophobicContact CG-CG 4.31Å; Q1163-E1167 VanDerWaalsContact CG-OE1 3.3Å; Q1163-E1167 WeakPolarHBondContact CG-OE1 3.22Å; Q1163-E1167 PolarHBondContact NE2-OE1 3.18Å; Q1163-E1167 WeakPolarHBondContact O-CB 3.33Å; Q1163-E1167 WeakPolarHBondContact O-CG 3.21Å; Q1163-E1167 PolarHBondContact O-N 2.9Å; E1167-F1169 VanDerWaalsContact C-N 3.35Å; E1167-F1169 PolarHBondContact O-N 2.94Å; E1167-Q1170 PolarHBondContact O-N 3.24Å; E1167-M1171 WeakPolarHBondContact O-CG 3.5Å; E1167-M1171 PolarHBondContact O-N 2.97Å
1168T94.3Very high93.9Very high84 Ų8488.4 Ų88.452%0.51547%0.469SS..Hα-helixtrans-60.4-42.1176.8-56.80000111.8V1164 V1165 S1172V1164-T1168 WeakPolarHBondContact O-CB 3.26Å; V1164-T1168 PolarHBondContact O-N 3.13Å; V1164-T1168 PolarHBondContact O-OG1 2.87Å; V1165-T1168 PolarHBondContact O-N 3.06Å; T1168-S1172 VanDerWaalsContact O-CB 3.25Å; T1168-S1172 WeakPolarHBondContact O-CB 3.43Å; T1168-S1172 PolarHBondContact O-N 3.41Å
1169F92.8Very high93.9Very high138 Ų13886.1 Ų86.161%0.60546%0.459SS*.Hα-helixtrans-66-40.8174.4-82.4-59.9000112.7V1165 E1167 T1173V1165-F1169 HydrophobicContact CG1-CD2 3.67Å; V1165-F1169 HydrophobicContact CG1-CE2 3.52Å; V1165-F1169 VanDerWaalsContact O-CD2 3.23Å; V1165-F1169 WeakPolarHBondContact O-CD2 3.5Å; V1165-F1169 PolarHBondContact O-N 2.94Å; E1167-F1169 VanDerWaalsContact C-N 3.35Å; E1167-F1169 PolarHBondContact O-N 2.94Å; F1169-T1173 WeakPolarHBondContact O-CB 3.25Å; F1169-T1173 VanDerWaalsContact O-CG2 3.25Å; F1169-T1173 WeakPolarHBondContact O-CG2 3.36Å; F1169-T1173 PolarHBondContact O-N 3.1Å; F1169-T1173 PolarHBondContact O-OG1 3.33Å
1170Q92.4Very high93.9Very high83 Ų8383.5 Ų83.539%0.38845%0.452SS..Hα-helixtrans-63.8-43.2176.5-78.4168.498.200111.8A1166 E1167 T1173 A1174A1166-Q1170 WeakPolarHBondContact O-CB 3.23Å; A1166-Q1170 WeakPolarHBondContact O-CG 3.48Å; A1166-Q1170 PolarHBondContact O-N 2.98Å; A1166-Q1170 PolarHBondContact O-NE2 3.23Å; E1167-Q1170 PolarHBondContact O-N 3.24Å; Q1170-T1173 PolarHBondContact O-OG1 2.72Å; Q1170-A1174 WeakPolarHBondContact O-CB 3.23Å; Q1170-A1174 PolarHBondContact O-N 3.42Å
1171M91.4Very high93.9Very high128 Ų12882.5 Ų82.563%0.63145%0.447SS*.Hα-helixtrans-62.9-57.1175-70.2-179.465.100111.9E1167 T1173 A1174 D1175E1167-M1171 WeakPolarHBondContact O-CG 3.5Å; E1167-M1171 PolarHBondContact O-N 2.97Å; M1171-T1173 VanDerWaalsContact C-N 3.27Å; M1171-T1173 PolarHBondContact O-N 2.91Å; M1171-A1174 WeakPolarHBondContact O-CA 3.49Å; M1171-A1174 WeakPolarHBondContact O-CB 3.22Å; M1171-A1174 PolarHBondContact O-N 2.91Å; M1171-D1175 PolarHBondContact O-N 3.33Å
1172S91.3Very high93.9Very high72 Ų7283.7 Ų83.750%0.50344%0.444SS..Hα-helixtrans-55.2-42-178.7173.10000112.5T1168 L1176T1168-S1172 VanDerWaalsContact O-CB 3.25Å; T1168-S1172 WeakPolarHBondContact O-CB 3.43Å; T1168-S1172 PolarHBondContact O-N 3.41Å; S1172-L1176 WeakPolarHBondContact O-CB 3.25Å; S1172-L1176 PolarHBondContact O-N 2.99Å; S1172-L1176 VanDerWaalsContact O-N 3.1Å
1173T92.2Very high93.9Very high41 Ų4185.3 Ų85.325%0.25245%0.445SS..Hα-helixtrans-74.4-30.2177.159.80000113K176 F1169 Q1170 M1171 Q1177K176-T1173 VanDerWaalsContact CE-C 3.44Å; K176-T1173 WeakPolarHBondContact CE-O 3.33Å; K176-T1173 WeakPolarHBondContact CE-OG1 3.14Å; K176-T1173 PolarHBondContact NZ-O 2.72Å; K176-T1173 PolarHBondContact NZ-OG1 3.43Å; F1169-T1173 WeakPolarHBondContact O-CB 3.25Å; F1169-T1173 VanDerWaalsContact O-CG2 3.25Å; F1169-T1173 WeakPolarHBondContact O-CG2 3.36Å; F1169-T1173 PolarHBondContact O-N 3.1Å; F1169-T1173 PolarHBondContact O-OG1 3.33Å; Q1170-T1173 PolarHBondContact O-OG1 2.72Å; M1171-T1173 VanDerWaalsContact C-N 3.27Å; M1171-T1173 PolarHBondContact O-N 2.91Å; T1173-Q1177 VanDerWaalsContact O-CB 3.23Å; T1173-Q1177 WeakPolarHBondContact O-CB 3.48Å; T1173-Q1177 PolarHBondContact O-N 2.82Å
1174A92.6Very high94Very high41 Ų4186.8 Ų86.834%0.33945%0.446SS..Hα-helixtrans-69-39.2173.900000111.8Q1170 M1171 Q1177 S1178Q1170-A1174 WeakPolarHBondContact O-CB 3.23Å; Q1170-A1174 PolarHBondContact O-N 3.42Å; M1171-A1174 WeakPolarHBondContact O-CA 3.49Å; M1171-A1174 WeakPolarHBondContact O-CB 3.22Å; M1171-A1174 PolarHBondContact O-N 2.91Å; A1174-Q1177 PolarHBondContact O-N 2.91Å; A1174-S1178 PolarHBondContact O-N 2.68Å
1175D92.2Very high94Very high104 Ų10489.3 Ų89.356%0.55645%0.446SS*.Hα-helixtrans-60.1-51.5172.6-67.5-30000110.2M1171 Q1177 S1178 E1179M1171-D1175 PolarHBondContact O-N 3.33Å; D1175-Q1177 VanDerWaalsContact C-N 3.32Å; D1175-Q1177 PolarHBondContact O-N 3.45Å; D1175-S1178 PolarHBondContact O-N 2.75Å; D1175-S1178 VanDerWaalsContact O-N 3.15Å; D1175-S1178 PolarHBondContact O-OG 2.97Å; D1175-E1179 PolarHBondContact O-N 3.35Å
1176L93.5Very high94.1Very high112 Ų11289.7 Ų89.759%0.58645%0.445SS*.Hα-helixtrans-56.9-42.1175.3-179.364.4000112.7S1172 E1179 V1180S1172-L1176 WeakPolarHBondContact O-CB 3.25Å; S1172-L1176 PolarHBondContact O-N 2.99Å; S1172-L1176 VanDerWaalsContact O-N 3.1Å; L1176-E1179 PolarHBondContact O-N 3.13Å; L1176-V1180 HydrophobicContact CD1-CG2 4.43Å; L1176-V1180 WeakPolarHBondContact O-CG2 3.43Å; L1176-V1180 PolarHBondContact O-N 2.96Å
1177Q93.7Very high94.1Very high42 Ų4290 Ų9020%0.19645%0.449CS..Hα-helixtrans-62.5-44.7176.7-178.3179.816.700111.4I175 T1173 A1174 D1175 E1179 V1180 E1181I175-Q1177 HydrophobicContact CD1-CG 4.03Å; I175-Q1177 HydrophobicContact CG1-CB 4.45Å; I175-Q1177 HydrophobicContact CG1-CG 4.09Å; I175-Q1177 HydrophobicContact CG2-CG 4.18Å; T1173-Q1177 VanDerWaalsContact O-CB 3.23Å; T1173-Q1177 WeakPolarHBondContact O-CB 3.48Å; T1173-Q1177 PolarHBondContact O-N 2.82Å; A1174-Q1177 PolarHBondContact O-N 2.91Å; D1175-Q1177 VanDerWaalsContact C-N 3.32Å; D1175-Q1177 PolarHBondContact O-N 3.45Å; Q1177-E1179 VanDerWaalsContact C-N 3.31Å; Q1177-E1179 PolarHBondContact O-N 2.7Å; Q1177-V1180 PolarHBondContact O-N 2.98Å; Q1177-E1181 WeakPolarHBondContact O-CG 3.37Å; Q1177-E1181 PolarHBondContact O-N 3.36Å
1178S93.7Very high94.1Very high64 Ų6489.9 Ų89.945%0.44845%0.448SS..Hα-helixtrans-64.8-35.4177.980.50000112.6A1174 D1175 E1181 R1182A1174-S1178 PolarHBondContact O-N 2.68Å; D1175-S1178 PolarHBondContact O-N 2.75Å; D1175-S1178 VanDerWaalsContact O-N 3.15Å; D1175-S1178 PolarHBondContact O-OG 2.97Å; S1178-E1181 PolarHBondContact O-N 3.15Å; S1178-R1182 PolarHBondContact O-N 3.47Å
1179E94.9Very high94.2Very high64 Ų6489.2 Ų89.230%0.29944%0.441SS..Hα-helixtrans-72-44.3178.4-177.761.9-175.700111.4D1175 L1176 Q1177 E1181 R1182 W1183D1175-E1179 PolarHBondContact O-N 3.35Å; L1176-E1179 PolarHBondContact O-N 3.13Å; Q1177-E1179 VanDerWaalsContact C-N 3.31Å; Q1177-E1179 PolarHBondContact O-N 2.7Å; E1179-E1181 VanDerWaalsContact C-N 3.3Å; E1179-E1181 PolarHBondContact O-N 2.71Å; E1179-R1182 VanDerWaalsContact CD-NH2 3.32Å; E1179-R1182 WeakPolarHBondContact O-CA 3.44Å; E1179-R1182 VanDerWaalsContact O-CB 3.27Å; E1179-R1182 WeakPolarHBondContact O-CB 3.26Å; E1179-R1182 PolarHBondContact O-N 3.16Å; E1179-R1182 IonicContact OE1-CZ 2.75Å; E1179-R1182 IonicContact OE1-NE 3.21Å; E1179-R1182 IonicContact OE1-NH2 2.65Å; E1179-R1182 PolarHBondContact OE1-NH2 3.41Å; E1179-R1182 IonicContact OE2-CZ 2.72Å; E1179-R1182 VanDerWaalsContact OE2-CZ 3.27Å; E1179-R1182 IonicContact OE2-NE 3.99Å; E1179-R1182 PolarHBondContact OE2-NE 2.94Å; E1179-R1182 IonicContact OE2-NH2 3.7Å; E1179-R1182 PolarHBondContact OE2-NH2 2.88Å; E1179-R1182 VanDerWaalsContact OE2-NH2 3.13Å; E1179-W1183 PolarHBondContact O-N 2.74Å; E1179-W1183 PolarHBondContact OE1-NE1 2.94Å
1180V94.9Very high94.4Very high57 Ų5787.3 Ų87.335%0.34543%0.433SS..Hα-helixtrans-62.3-36.6172.5169.80000111.4I175 L1176 Q1177 R1182 R1184I175-V1180 HydrophobicContact CD1-CB 3.89Å; I175-V1180 HydrophobicContact CD1-CG1 3.55Å; L1176-V1180 HydrophobicContact CD1-CG2 4.43Å; L1176-V1180 WeakPolarHBondContact O-CG2 3.43Å; L1176-V1180 PolarHBondContact O-N 2.96Å; Q1177-V1180 PolarHBondContact O-N 2.98Å; V1180-R1182 VanDerWaalsContact C-N 3.35Å; V1180-R1184 VanDerWaalsContact O-CB 3.24Å; V1180-R1184 WeakPolarHBondContact O-CB 3.27Å; V1180-R1184 PolarHBondContact O-N 3.02Å
1181E95.3Very high94.5Very high74 Ų7487.8 Ų87.835%0.34644%0.438SS..Hα-helixtrans-65.3-36.2170.4-72.3-170.6174.400112.8Q1177 S1178 E1179 R1184 R1185Q1177-E1181 WeakPolarHBondContact O-CG 3.37Å; Q1177-E1181 PolarHBondContact O-N 3.36Å; S1178-E1181 PolarHBondContact O-N 3.15Å; E1179-E1181 VanDerWaalsContact C-N 3.3Å; E1179-E1181 PolarHBondContact O-N 2.71Å; E1181-R1184 PolarHBondContact O-N 3.4Å; E1181-R1185 VanDerWaalsContact CB-NH1 3.3Å; E1181-R1185 VanDerWaalsContact O-CG 3.26Å; E1181-R1185 WeakPolarHBondContact O-CG 3.37Å; E1181-R1185 PolarHBondContact O-N 2.94Å; E1181-R1185 IonicContact OE2-CZ 3.36Å; E1181-R1185 IonicContact OE2-NH1 2.68Å; E1181-R1185 PolarHBondContact OE2-NH1 3.41Å; E1181-R1185 VanDerWaalsContact OE2-NH1 3.16Å; E1181-R1185 IonicContact OE2-NH2 3.17Å; E1181-R1185 PolarHBondContact OE2-NH2 3.42Å
1182R96.4Very high94.7Very high141 Ų14188.6 Ų88.653%0.53243%0.434SS..Hα-helixtrans-61.8-47.6175.8-169.6173.374.2122.31110.9S1178 E1179 V1180 R1185 L1186S1178-R1182 PolarHBondContact O-N 3.47Å; E1179-R1182 VanDerWaalsContact CD-NH2 3.32Å; E1179-R1182 WeakPolarHBondContact O-CA 3.44Å; E1179-R1182 VanDerWaalsContact O-CB 3.27Å; E1179-R1182 WeakPolarHBondContact O-CB 3.26Å; E1179-R1182 PolarHBondContact O-N 3.16Å; E1179-R1182 IonicContact OE1-CZ 2.75Å; E1179-R1182 IonicContact OE1-NE 3.21Å; E1179-R1182 IonicContact OE1-NH2 2.65Å; E1179-R1182 PolarHBondContact OE1-NH2 3.41Å; E1179-R1182 IonicContact OE2-CZ 2.72Å; E1179-R1182 VanDerWaalsContact OE2-CZ 3.27Å; E1179-R1182 IonicContact OE2-NE 3.99Å; E1179-R1182 PolarHBondContact OE2-NE 2.94Å; E1179-R1182 IonicContact OE2-NH2 3.7Å; E1179-R1182 PolarHBondContact OE2-NH2 2.88Å; E1179-R1182 VanDerWaalsContact OE2-NH2 3.13Å; V1180-R1182 VanDerWaalsContact C-N 3.35Å; R1182-R1185 PolarHBondContact O-N 3.45Å; R1182-L1186 PolarHBondContact O-N 3.04Å; R1182-L1186 VanDerWaalsContact O-N 3.1Å
1183W96.4Very high94.9Very high142 Ų14289.1 Ų89.154%0.53843%0.428SS..Hα-helixtrans-65.7-40.3174.6-68.3109.7000112.6E1179 R1185 L1186 A1187E1179-W1183 PolarHBondContact O-N 2.74Å; E1179-W1183 PolarHBondContact OE1-NE1 2.94Å; W1183-R1185 VanDerWaalsContact C-N 3.34Å; W1183-R1185 PolarHBondContact O-N 3.26Å; W1183-L1186 HydrophobicContact CE3-CD2 3.91Å; W1183-L1186 HydrophobicContact CZ3-CD2 3.72Å; W1183-L1186 PolarHBondContact O-N 2.85Å; W1183-A1187 WeakPolarHBondContact O-CB 3.24Å; W1183-A1187 PolarHBondContact O-N 2.66Å
1184R96.4Very high95Very high144 Ų14491.5 Ų91.554%0.54344%0.439SS..Hα-helixtrans-59.9-41.5175.4-174.8-179.6-65.7-171.2-1.3112.2V1180 E1181 Q1188V1180-R1184 VanDerWaalsContact O-CB 3.24Å; V1180-R1184 WeakPolarHBondContact O-CB 3.27Å; V1180-R1184 PolarHBondContact O-N 3.02Å; E1181-R1184 PolarHBondContact O-N 3.4Å; R1184-Q1188 VanDerWaalsContact O-CG 3.29Å; R1184-Q1188 WeakPolarHBondContact O-CG 3.43Å; R1184-Q1188 PolarHBondContact O-N 3.1Å
1185R96Very high95.1Very high133 Ų13393.6 Ų93.650%0.50244%0.444SS..Hα-helixtrans-62.5-51.1174.2-71.9166.8-175.5117.28.4110.8E1181 R1182 W1183 A1187 Q1188 D1189E1181-R1185 VanDerWaalsContact CB-NH1 3.3Å; E1181-R1185 VanDerWaalsContact O-CG 3.26Å; E1181-R1185 WeakPolarHBondContact O-CG 3.37Å; E1181-R1185 PolarHBondContact O-N 2.94Å; E1181-R1185 IonicContact OE2-CZ 3.36Å; E1181-R1185 IonicContact OE2-NH1 2.68Å; E1181-R1185 PolarHBondContact OE2-NH1 3.41Å; E1181-R1185 VanDerWaalsContact OE2-NH1 3.16Å; E1181-R1185 IonicContact OE2-NH2 3.17Å; E1181-R1185 PolarHBondContact OE2-NH2 3.42Å; R1182-R1185 PolarHBondContact O-N 3.45Å; W1183-R1185 VanDerWaalsContact C-N 3.34Å; W1183-R1185 PolarHBondContact O-N 3.26Å; R1185-A1187 VanDerWaalsContact C-N 3.34Å; R1185-A1187 PolarHBondContact O-N 3.36Å; R1185-Q1188 WeakPolarHBondContact O-CB 3.29Å; R1185-Q1188 PolarHBondContact O-N 2.92Å; R1185-Q1188 VanDerWaalsContact O-N 3.11Å; R1185-D1189 PolarHBondContact O-N 3.11Å
1186L96.9Very high95.3Very high85 Ų8590.6 Ų90.645%0.44543%0.434SS..Hα-helixtrans-60.2-40.5179.6-176.562.5000112.7R1182 W1183 D1189 K1190R1182-L1186 PolarHBondContact O-N 3.04Å; R1182-L1186 VanDerWaalsContact O-N 3.1Å; W1183-L1186 HydrophobicContact CE3-CD2 3.91Å; W1183-L1186 HydrophobicContact CZ3-CD2 3.72Å; W1183-L1186 PolarHBondContact O-N 2.85Å; L1186-D1189 PolarHBondContact O-N 3.43Å; L1186-K1190 PolarHBondContact O-N 3.2Å
1187A94.2Very high95.4Very high52 Ų5290.6 Ų90.643%0.4343%0.429SS..Hα-helixtrans-66.3-37.9175.300000112.3W1183 R1185 K1190 N1191W1183-A1187 WeakPolarHBondContact O-CB 3.24Å; W1183-A1187 PolarHBondContact O-N 2.66Å; R1185-A1187 VanDerWaalsContact C-N 3.34Å; R1185-A1187 PolarHBondContact O-N 3.36Å; A1187-K1190 PolarHBondContact O-N 2.94Å; A1187-N1191 PolarHBondContact O-N 3.49Å; A1187-N1191 PolarHBondContact O-ND2 2.92Å
1188Q95.6Very high95.5Very high87 Ų8795.6 Ų95.641%0.40745%0.447SS..Hα-helixtrans-64.5-39.6171.8-74.1175.2800112R1184 R1185 N1191 R1192R1184-Q1188 VanDerWaalsContact O-CG 3.29Å; R1184-Q1188 WeakPolarHBondContact O-CG 3.43Å; R1184-Q1188 PolarHBondContact O-N 3.1Å; R1185-Q1188 WeakPolarHBondContact O-CB 3.29Å; R1185-Q1188 PolarHBondContact O-N 2.92Å; R1185-Q1188 VanDerWaalsContact O-N 3.11Å; Q1188-N1191 PolarHBondContact O-N 3.32Å; Q1188-R1192 VanDerWaalsContact O-CG 3.3Å; Q1188-R1192 WeakPolarHBondContact O-CG 3.43Å; Q1188-R1192 PolarHBondContact O-N 3.46Å
1189D95.4Very high95.5Very high69 Ų6996 Ų9637%0.36945%0.45SS..Hα-helixtrans-66.1-40.1175.5-69.3-38.7000112R1185 L1186 N1191 R1192 E1193R1185-D1189 PolarHBondContact O-N 3.11Å; L1186-D1189 PolarHBondContact O-N 3.43Å; D1189-N1191 PolarHBondContact O-N 2.91Å; D1189-R1192 WeakPolarHBondContact O-CB 3.3Å; D1189-R1192 PolarHBondContact O-N 2.66Å; D1189-R1192 IonicContact OD1-CZ 3.67Å; D1189-R1192 IonicContact OD1-NH1 2.69Å; D1189-R1192 PolarHBondContact OD1-NH1 3.29Å; D1189-E1193 PolarHBondContact O-N 3.42Å
1190K95.9Very high95.6Very high99 Ų9998.2 Ų98.243%0.4346%0.46SS..Hα-helixtrans-67.2-32.6172.1-67.2-46.4-173.3-170.10113.7L1186 A1187 E1193 L1194L1186-K1190 PolarHBondContact O-N 3.2Å; A1187-K1190 PolarHBondContact O-N 2.94Å; K1190-E1193 WeakPolarHBondContact CD-OE1 3.24Å; K1190-E1193 VanDerWaalsContact CD-OE2 3.24Å; K1190-E1193 WeakPolarHBondContact CD-OE2 3.46Å; K1190-E1193 IonicContact NZ-OE1 3.89Å; K1190-E1193 PolarHBondContact NZ-OE1 3.42Å; K1190-E1193 IonicContact NZ-OE2 3.92Å; K1190-E1193 PolarHBondContact NZ-OE2 2.95Å; K1190-E1193 PolarHBondContact O-N 2.93Å; K1190-L1194 WeakPolarHBondContact O-CB 3.44Å; K1190-L1194 VanDerWaalsContact O-CG 3.3Å; K1190-L1194 WeakPolarHBondContact O-CG 3.5Å; K1190-L1194 PolarHBondContact O-N 3.5Å
1191N95.4Very high95.5Very high92 Ų92100.4 Ų100.449%0.49247%0.469SS..Hα-helixtrans-67.4-37.7170.3-72.7-20.6000111.9A1187 Q1188 D1189 L1194 D1195A1187-N1191 PolarHBondContact O-N 3.49Å; A1187-N1191 PolarHBondContact O-ND2 2.92Å; Q1188-N1191 PolarHBondContact O-N 3.32Å; D1189-N1191 PolarHBondContact O-N 2.91Å; N1191-L1194 PolarHBondContact O-N 2.87Å; N1191-D1195 PolarHBondContact O-N 2.94Å
1192R95.7Very high95.5Very high146 Ų146101.1 Ų101.155%0.55148%0.475SS*.Hα-helixtrans-62.9-41.1172.7-68.7163.7-174.2140.67.8112Q1188 D1189 D1195 A1196Q1188-R1192 VanDerWaalsContact O-CG 3.3Å; Q1188-R1192 WeakPolarHBondContact O-CG 3.43Å; Q1188-R1192 PolarHBondContact O-N 3.46Å; D1189-R1192 WeakPolarHBondContact O-CB 3.3Å; D1189-R1192 PolarHBondContact O-N 2.66Å; D1189-R1192 IonicContact OD1-CZ 3.67Å; D1189-R1192 IonicContact OD1-NH1 2.69Å; D1189-R1192 PolarHBondContact OD1-NH1 3.29Å; R1192-D1195 PolarHBondContact O-N 2.68Å; R1192-A1196 WeakPolarHBondContact O-CB 3.41Å; R1192-A1196 PolarHBondContact O-N 3.26Å
1193E95.7Very high95.4Very high83 Ų8397.5 Ų97.539%0.38847%0.472SS..Hα-helixtrans-61.6-45.7171.9-72.1173.8-149.300111.5D1189 K1190 D1195 A1196 F1197D1189-E1193 PolarHBondContact O-N 3.42Å; K1190-E1193 WeakPolarHBondContact CD-OE1 3.24Å; K1190-E1193 VanDerWaalsContact CD-OE2 3.24Å; K1190-E1193 WeakPolarHBondContact CD-OE2 3.46Å; K1190-E1193 IonicContact NZ-OE1 3.89Å; K1190-E1193 PolarHBondContact NZ-OE1 3.42Å; K1190-E1193 IonicContact NZ-OE2 3.92Å; K1190-E1193 PolarHBondContact NZ-OE2 2.95Å; K1190-E1193 PolarHBondContact O-N 2.93Å; E1193-D1195 PolarHBondContact O-N 3.48Å; E1193-A1196 WeakPolarHBondContact O-CB 3.49Å; E1193-A1196 PolarHBondContact O-N 3.32Å; E1193-F1197 HydrophobicContact CB-CE2 4.26Å; E1193-F1197 WeakPolarHBondContact O-CD2 3.25Å; E1193-F1197 WeakPolarHBondContact O-CG 3.08Å; E1193-F1197 PolarHBondContact O-N 2.9Å
1194L94.9Very high95.2Very high90 Ų9095 Ų9547%0.47147%0.468SS..Hα-helixtrans-64.1-38.2177.7-72.6170.9000113.1K1190 N1191 F1197 R1198K1190-L1194 WeakPolarHBondContact O-CB 3.44Å; K1190-L1194 VanDerWaalsContact O-CG 3.3Å; K1190-L1194 WeakPolarHBondContact O-CG 3.5Å; K1190-L1194 PolarHBondContact O-N 3.5Å; N1191-L1194 PolarHBondContact O-N 2.87Å; L1194-F1197 PolarHBondContact O-N 3.01Å; L1194-R1198 WeakPolarHBondContact O-CB 3.43Å; L1194-R1198 VanDerWaalsContact O-CG 3.25Å; L1194-R1198 WeakPolarHBondContact O-CG 3.3Å; L1194-R1198 PolarHBondContact O-N 3.28Å
1195D94.8Very high95Very high85 Ų8592.2 Ų92.246%0.45546%0.463SS..Hα-helixtrans-72.6-31.6175.6-72.6-29.1000112.3N1191 R1192 E1193 R1198 S1199N1191-D1195 PolarHBondContact O-N 2.94Å; R1192-D1195 PolarHBondContact O-N 2.68Å; E1193-D1195 PolarHBondContact O-N 3.48Å; D1195-R1198 PolarHBondContact O-N 3.29Å; D1195-R1198 WeakPolarHBondContact OD1-CD 3.33Å; D1195-R1198 IonicContact OD1-CZ 3.59Å; D1195-R1198 IonicContact OD1-NE 3.72Å; D1195-R1198 IonicContact OD1-NH1 3.27Å; D1195-R1198 PolarHBondContact OD1-NH1 2.69Å; D1195-S1199 PolarHBondContact O-N 3.18Å
1196A94.9Very high94.9Very high41 Ų4190.1 Ų90.134%0.33946%0.462SS..Hα-helixtrans-61.8-52.6167.300000110.8R1192 E1193 R1198 S1199 E1200R1192-A1196 WeakPolarHBondContact O-CB 3.41Å; R1192-A1196 PolarHBondContact O-N 3.26Å; E1193-A1196 WeakPolarHBondContact O-CB 3.49Å; E1193-A1196 PolarHBondContact O-N 3.32Å; A1196-R1198 VanDerWaalsContact C-N 3.28Å; A1196-R1198 PolarHBondContact O-N 3.45Å; A1196-S1199 PolarHBondContact O-N 2.91Å; A1196-S1199 PolarHBondContact O-OG 3.24Å; A1196-E1200 WeakPolarHBondContact O-CG 3.44Å; A1196-E1200 PolarHBondContact O-N 2.73Å
1197F95.6Very high94.6Very high112 Ų11290.7 Ų90.749%0.49146%0.464SS..Hα-helixtrans-59.1-35.5176.4-66.8-49.5000112.9E1193 L1194 E1200 L1201E1193-F1197 HydrophobicContact CB-CE2 4.26Å; E1193-F1197 WeakPolarHBondContact O-CD2 3.25Å; E1193-F1197 WeakPolarHBondContact O-CG 3.08Å; E1193-F1197 PolarHBondContact O-N 2.9Å; L1194-F1197 PolarHBondContact O-N 3.01Å; F1197-E1200 PolarHBondContact O-N 3.22Å; F1197-L1201 WeakPolarHBondContact O-CB 3.37Å; F1197-L1201 VanDerWaalsContact O-CG 3.26Å; F1197-L1201 WeakPolarHBondContact O-CG 3.39Å; F1197-L1201 PolarHBondContact O-N 2.99Å
1198R96.3Very high94.3Very high148 Ų14892.7 Ų92.756%0.55847%0.468SS*.Hα-helixtrans-61.9-46.5171.3-76.5163172.8165.5-1.1111.6L1194 D1195 A1196 E1200 L1201 D1202L1194-R1198 WeakPolarHBondContact O-CB 3.43Å; L1194-R1198 VanDerWaalsContact O-CG 3.25Å; L1194-R1198 WeakPolarHBondContact O-CG 3.3Å; L1194-R1198 PolarHBondContact O-N 3.28Å; D1195-R1198 PolarHBondContact O-N 3.29Å; D1195-R1198 WeakPolarHBondContact OD1-CD 3.33Å; D1195-R1198 IonicContact OD1-CZ 3.59Å; D1195-R1198 IonicContact OD1-NE 3.72Å; D1195-R1198 IonicContact OD1-NH1 3.27Å; D1195-R1198 PolarHBondContact OD1-NH1 2.69Å; A1196-R1198 VanDerWaalsContact C-N 3.28Å; A1196-R1198 PolarHBondContact O-N 3.45Å; R1198-E1200 VanDerWaalsContact C-N 3.33Å; R1198-E1200 PolarHBondContact O-N 3.19Å; R1198-L1201 PolarHBondContact O-N 3.46Å; R1198-D1202 PolarHBondContact O-N 3.25Å
1199S94.5Very high94Very high73 Ų7393.6 Ų93.651%0.5147%0.467SS..Hα-helixtrans-65.8-33.8178.1760000113.1D1195 A1196 S1203D1195-S1199 PolarHBondContact O-N 3.18Å; A1196-S1199 PolarHBondContact O-N 2.91Å; A1196-S1199 PolarHBondContact O-OG 3.24Å; S1199-S1203 WeakPolarHBondContact O-CB 3.31Å; S1199-S1203 PolarHBondContact O-N 2.94Å
1200E95.6Very high93.5Very high109 Ų10995.6 Ų95.651%0.50947%0.474SS..Hα-helixtrans-66.8-44.6171.7-70.6176.5-178.700111.3A1196 F1197 R1198 S1203 I1204A1196-E1200 WeakPolarHBondContact O-CG 3.44Å; A1196-E1200 PolarHBondContact O-N 2.73Å; F1197-E1200 PolarHBondContact O-N 3.22Å; R1198-E1200 VanDerWaalsContact C-N 3.33Å; R1198-E1200 PolarHBondContact O-N 3.19Å; E1200-S1203 WeakPolarHBondContact O-CB 3.49Å; E1200-S1203 PolarHBondContact O-N 3.47Å; E1200-I1204 VanDerWaalsContact O-CG1 3.26Å; E1200-I1204 WeakPolarHBondContact O-CG1 3.26Å; E1200-I1204 PolarHBondContact O-N 2.88Å
1201L94.1Very high92.8Very high103 Ų10396.2 Ų96.254%0.53948%0.481SS..Hα-helixtrans-62.2-42.9174.4-75.4168.4000112.1F1197 R1198 S1203 I1204 L1205F1197-L1201 WeakPolarHBondContact O-CB 3.37Å; F1197-L1201 VanDerWaalsContact O-CG 3.26Å; F1197-L1201 WeakPolarHBondContact O-CG 3.39Å; F1197-L1201 PolarHBondContact O-N 2.99Å; R1198-L1201 PolarHBondContact O-N 3.46Å; L1201-S1203 VanDerWaalsContact C-N 3.33Å; L1201-S1203 PolarHBondContact O-N 3.24Å; L1201-I1204 PolarHBondContact O-N 2.9Å; L1201-L1205 WeakPolarHBondContact O-CB 3.26Å; L1201-L1205 VanDerWaalsContact O-CG 3.22Å; L1201-L1205 WeakPolarHBondContact O-CG 3.37Å; L1201-L1205 PolarHBondContact O-N 3.27Å
1202D94.6Very high92.1Very high90 Ų9098.9 Ų98.948%0.48149%0.491SS..Hα-helixtrans-63.6-39.1175-84.9-36.2000111.7R1198 L1205 D1206 R1209R1198-D1202 PolarHBondContact O-N 3.25Å; D1202-L1205 CarbonylContact O-C 3.56Å; D1202-L1205 PolarHBondContact O-N 3.45Å; D1202-D1206 PolarHBondContact O-N 2.96Å; D1202-R1209 PolarHBondContact O-NH2 3.31Å
1203S95.2Very high91.3Very high65 Ų6599.9 Ų99.946%0.45550%0.499SS..Hα-helixtrans-63.3-44.8173.4-166.60000112.1S1199 E1200 L1201 L1205 D1206 I1207S1199-S1203 WeakPolarHBondContact O-CB 3.31Å; S1199-S1203 PolarHBondContact O-N 2.94Å; E1200-S1203 WeakPolarHBondContact O-CB 3.49Å; E1200-S1203 PolarHBondContact O-N 3.47Å; L1201-S1203 VanDerWaalsContact C-N 3.33Å; L1201-S1203 PolarHBondContact O-N 3.24Å; S1203-L1205 VanDerWaalsContact C-N 3.32Å; S1203-L1205 PolarHBondContact O-N 3.46Å; S1203-D1206 PolarHBondContact O-N 3.49Å; S1203-I1207 VanDerWaalsContact O-CG1 3.31Å; S1203-I1207 WeakPolarHBondContact O-CG1 3.3Å; S1203-I1207 PolarHBondContact O-N 3.49Å
1204I92.8Very high90Very high90 Ų90101.9 Ų101.946%0.46251%0.508SS..Hα-helixtrans-60.3-42.8173.1-69.6162.4000110.3E1200 L1201 I1207 L1208E1200-I1204 VanDerWaalsContact O-CG1 3.26Å; E1200-I1204 WeakPolarHBondContact O-CG1 3.26Å; E1200-I1204 PolarHBondContact O-N 2.88Å; L1201-I1204 PolarHBondContact O-N 2.9Å; I1204-I1207 PolarHBondContact O-N 2.67Å; I1204-L1208 HydrophobicContact CG2-CD1 3.97Å; I1204-L1208 HydrophobicContact CG2-CG 4.45Å; I1204-L1208 WeakPolarHBondContact O-CB 3.41Å; I1204-L1208 VanDerWaalsContact O-CG 3.26Å; I1204-L1208 WeakPolarHBondContact O-CG 3.26Å; I1204-L1208 PolarHBondContact O-N 2.86Å
1205L92.3Very high88.4Confident85 Ų8599.4 Ų99.445%0.44551%0.505SS..Hα-helixtrans-67.2-33.3176.9-72.4169.6000112.4L1201 D1202 S1203 L1208 R1209L1201-L1205 WeakPolarHBondContact O-CB 3.26Å; L1201-L1205 VanDerWaalsContact O-CG 3.22Å; L1201-L1205 WeakPolarHBondContact O-CG 3.37Å; L1201-L1205 PolarHBondContact O-N 3.27Å; D1202-L1205 CarbonylContact O-C 3.56Å; D1202-L1205 PolarHBondContact O-N 3.45Å; S1203-L1205 VanDerWaalsContact C-N 3.32Å; S1203-L1205 PolarHBondContact O-N 3.46Å; L1205-L1208 HydrophobicContact CD2-CD1 4.5Å; L1205-R1209 WeakPolarHBondContact O-CB 3.4Å; L1205-R1209 VanDerWaalsContact O-CG 3.23Å; L1205-R1209 WeakPolarHBondContact O-CG 3.22Å; L1205-R1209 PolarHBondContact O-N 3.45Å; L1205-R1209 PolarHBondContact O-NE 2.81Å
1206D92.3Very high86.5Confident89 Ų8999.3 Ų99.348%0.47652%0.516SS..Hα-helixtrans-70.2-41.6172.7-95.4-39.7000111.8D1202 S1203 L1208 R1209 H1210D1202-D1206 PolarHBondContact O-N 2.96Å; S1203-D1206 PolarHBondContact O-N 3.49Å; D1206-L1208 VanDerWaalsContact C-N 3.35Å; D1206-R1209 VanDerWaalsContact CG-NH2 3.34Å; D1206-R1209 PolarHBondContact O-N 3.19Å; D1206-R1209 IonicContact OD1-CZ 3.63Å; D1206-R1209 IonicContact OD1-NE 3.75Å; D1206-R1209 IonicContact OD1-NH1 2.75Å; D1206-R1209 PolarHBondContact OD1-NH1 2.84Å; D1206-R1209 IonicContact OD1-NH2 2.7Å; D1206-R1209 PolarHBondContact OD1-NH2 2.82Å; D1206-R1209 IonicContact OD2-NH1 3Å; D1206-R1209 IonicContact OD2-NH2 2.66Å; D1206-H1210 WeakPolarHBondContact O-CB 3.23Å; D1206-H1210 PolarHBondContact O-N 2.84Å
1207I91.5Very high84.4Confident96 Ų96103.9 Ų103.949%0.49253%0.534SS..Hα-helixtrans-60.7-45.3172.2-68.1163.8000110S1203 I1204 H1210 L1211S1203-I1207 VanDerWaalsContact O-CG1 3.31Å; S1203-I1207 WeakPolarHBondContact O-CG1 3.3Å; S1203-I1207 PolarHBondContact O-N 3.49Å; I1204-I1207 PolarHBondContact O-N 2.67Å; I1207-H1210 PolarHBondContact O-N 3.23Å; I1207-L1211 HydrophobicContact CG2-CD1 3.97Å; I1207-L1211 HydrophobicContact CG2-CG 4.39Å; I1207-L1211 WeakPolarHBondContact O-CB 3.32Å; I1207-L1211 VanDerWaalsContact O-CG 3.3Å; I1207-L1211 WeakPolarHBondContact O-CG 3.43Å; I1207-L1211 PolarHBondContact O-N 3.36Å
1208L86.9Confident82.2Confident95 Ų95106.4 Ų106.450%0.49755%0.548SS..Hα-helixtrans-63.3-41.1175.5-72.7170.1000112.1I1204 L1205 D1206 H1210 L1211 Q1212I1204-L1208 HydrophobicContact CG2-CD1 3.97Å; I1204-L1208 HydrophobicContact CG2-CG 4.45Å; I1204-L1208 WeakPolarHBondContact O-CB 3.41Å; I1204-L1208 VanDerWaalsContact O-CG 3.26Å; I1204-L1208 WeakPolarHBondContact O-CG 3.26Å; I1204-L1208 PolarHBondContact O-N 2.86Å; L1205-L1208 HydrophobicContact CD2-CD1 4.5Å; D1206-L1208 VanDerWaalsContact C-N 3.35Å; L1208-H1210 VanDerWaalsContact C-N 3.34Å; L1208-H1210 PolarHBondContact O-N 2.89Å; L1208-L1211 PolarHBondContact O-N 3.21Å; L1208-Q1212 WeakPolarHBondContact O-CB 3.45Å; L1208-Q1212 PolarHBondContact O-N 2.8Å
1209R89.3Confident79.7Confident105 Ų105102.3 Ų102.340%0.39655%0.551SS.*Hα-helixtrans-64-36.1173.3-79.1172-81.9151.7-11.1112.1D1202 L1205 D1206 K1213D1202-R1209 PolarHBondContact O-NH2 3.31Å; L1205-R1209 WeakPolarHBondContact O-CB 3.4Å; L1205-R1209 VanDerWaalsContact O-CG 3.23Å; L1205-R1209 WeakPolarHBondContact O-CG 3.22Å; L1205-R1209 PolarHBondContact O-N 3.45Å; L1205-R1209 PolarHBondContact O-NE 2.81Å; D1206-R1209 VanDerWaalsContact CG-NH2 3.34Å; D1206-R1209 PolarHBondContact O-N 3.19Å; D1206-R1209 IonicContact OD1-CZ 3.63Å; D1206-R1209 IonicContact OD1-NE 3.75Å; D1206-R1209 IonicContact OD1-NH1 2.75Å; D1206-R1209 PolarHBondContact OD1-NH1 2.84Å; D1206-R1209 IonicContact OD1-NH2 2.7Å; D1206-R1209 PolarHBondContact OD1-NH2 2.82Å; D1206-R1209 IonicContact OD2-NH1 3Å; D1206-R1209 IonicContact OD2-NH2 2.66Å; R1209-K1213 WeakPolarHBondContact O-CB 3.31Å; R1209-K1213 VanDerWaalsContact O-CG 3.29Å; R1209-K1213 WeakPolarHBondContact O-CG 3.33Å; R1209-K1213 PolarHBondContact O-N 3.27Å
1210H84.9Confident77.6Confident112 Ų112106.4 Ų106.452%0.51957%0.568SS.*Hα-helixtrans-69.5-43.7174.1-169.2-38.5000111.6D1206 I1207 L1208 Q1212 K1213 H1214D1206-H1210 WeakPolarHBondContact O-CB 3.23Å; D1206-H1210 PolarHBondContact O-N 2.84Å; I1207-H1210 PolarHBondContact O-N 3.23Å; L1208-H1210 VanDerWaalsContact C-N 3.34Å; L1208-H1210 PolarHBondContact O-N 2.89Å; H1210-Q1212 VanDerWaalsContact C-N 3.33Å; H1210-Q1212 PolarHBondContact O-N 2.66Å; H1210-K1213 PolarHBondContact O-N 3.44Å; H1210-H1214 AromaticContact CE1-CD2 3.39Å; H1210-H1214 PolarHBondContact CE1-CD2 3.27Å; H1210-H1214 AromaticContact CE1-CE1 3.81Å; H1210-H1214 AromaticContact CE1-CG 3.96Å; H1210-H1214 AromaticContact CE1-NE2 3.3Å; H1210-H1214 PolarHBondContact CE1-NE2 2.88Å; H1210-H1214 VanDerWaalsContact CE1-NE2 3.3Å; H1210-H1214 AromaticContact ND1-CD2 3.29Å; H1210-H1214 PolarHBondContact ND1-CD2 3.46Å; H1210-H1214 VanDerWaalsContact ND1-CD2 3.29Å; H1210-H1214 AromaticContact ND1-CG 3.94Å; H1210-H1214 AromaticContact ND1-NE2 3.69Å; H1210-H1214 PolarHBondContact O-CD2 3.28Å; H1210-H1214 VanDerWaalsContact O-CD2 3.31Å; H1210-H1214 PolarHBondContact O-N 3.45Å; H1210-H1214 VanDerWaalsContact O-N 3.1Å
1211L81.2Confident75.4Confident111 Ų111111.1 Ų111.158%0.58159%0.587SS**Hα-helixtrans-63.4-38.2175-72.6171.6000111.4I1207 L1208 G1215I1207-L1211 HydrophobicContact CG2-CD1 3.97Å; I1207-L1211 HydrophobicContact CG2-CG 4.39Å; I1207-L1211 WeakPolarHBondContact O-CB 3.32Å; I1207-L1211 VanDerWaalsContact O-CG 3.3Å; I1207-L1211 WeakPolarHBondContact O-CG 3.43Å; I1207-L1211 PolarHBondContact O-N 3.36Å; L1208-L1211 PolarHBondContact O-N 3.21Å; L1211-G1215 WeakPolarHBondContact O-CA 3.43Å; L1211-G1215 PolarHBondContact O-N 3.39Å
1212Q81.5Confident73.6Confident149 Ų149111.6 Ų111.670%0.69659%0.594SS**Hα-helixtrans-66.6-45.8175-170.2179.614.300111.8L1208 H1210 H1214 A1216L1208-Q1212 WeakPolarHBondContact O-CB 3.45Å; L1208-Q1212 PolarHBondContact O-N 2.8Å; H1210-Q1212 VanDerWaalsContact C-N 3.33Å; H1210-Q1212 PolarHBondContact O-N 2.66Å; Q1212-H1214 VanDerWaalsContact C-N 3.3Å; Q1212-H1214 PolarHBondContact O-N 3.31Å; Q1212-A1216 PolarHBondContact O-N 3.19Å; Q1212-A1216 VanDerWaalsContact O-N 3.15Å
1213K77.8Confident71.4Confident166 Ų166114.5 Ų114.572%0.72261%0.609SS**Hα-helixtrans-59.6-36.6177.5-79.5172.9179.4175.70113.2R1209 H1210R1209-K1213 WeakPolarHBondContact O-CB 3.31Å; R1209-K1213 VanDerWaalsContact O-CG 3.29Å; R1209-K1213 WeakPolarHBondContact O-CG 3.33Å; R1209-K1213 PolarHBondContact O-N 3.27Å; H1210-K1213 PolarHBondContact O-N 3.44Å
1214H68.4Low69.3Low125 Ų125120.1 Ų120.158%0.57963%0.628SS**Hα-helixtrans-91.2-34.2-179.7-74.4-111.7000112.9H1210 Q1212 A1216 N1217H1210-H1214 AromaticContact CE1-CD2 3.39Å; H1210-H1214 PolarHBondContact CE1-CD2 3.27Å; H1210-H1214 AromaticContact CE1-CE1 3.81Å; H1210-H1214 AromaticContact CE1-CG 3.96Å; H1210-H1214 AromaticContact CE1-NE2 3.3Å; H1210-H1214 PolarHBondContact CE1-NE2 2.88Å; H1210-H1214 VanDerWaalsContact CE1-NE2 3.3Å; H1210-H1214 AromaticContact ND1-CD2 3.29Å; H1210-H1214 PolarHBondContact ND1-CD2 3.46Å; H1210-H1214 VanDerWaalsContact ND1-CD2 3.29Å; H1210-H1214 AromaticContact ND1-CG 3.94Å; H1210-H1214 AromaticContact ND1-NE2 3.69Å; H1210-H1214 PolarHBondContact O-CD2 3.28Å; H1210-H1214 VanDerWaalsContact O-CD2 3.31Å; H1210-H1214 PolarHBondContact O-N 3.45Å; H1210-H1214 VanDerWaalsContact O-N 3.1Å; Q1212-H1214 VanDerWaalsContact C-N 3.3Å; Q1212-H1214 PolarHBondContact O-N 3.31Å; H1214-A1216 VanDerWaalsContact C-N 3.31Å; H1214-A1216 PolarHBondContact O-N 3.47Å; H1214-N1217 PolarHBondContact O-N 3.3Å
1215G61.9Low67.5Low39 Ų39119.9 Ų119.940%0.40263%0.634SS.*Hα-helixtrans-70.7-21.1179.100000114.3L1211 N1217 H1218L1211-G1215 WeakPolarHBondContact O-CA 3.43Å; L1211-G1215 PolarHBondContact O-N 3.39Å; G1215-N1217 PolarHBondContact O-N 3.48Å; G1215-H1218 CarbonylContact O-C 3.42Å; G1215-H1218 PolarHBondContact O-N 3.29Å
1216A54.5Low65.7Low82 Ų82120.9 Ų120.968%0.67864%0.639SS**THydrogen-bonded Turntrans-56.9-21.8174.600000114.1Q1212 H1214Q1212-A1216 PolarHBondContact O-N 3.19Å; Q1212-A1216 VanDerWaalsContact O-N 3.15Å; H1214-A1216 VanDerWaalsContact C-N 3.31Å; H1214-A1216 PolarHBondContact O-N 3.47Å
1217N52Low63.7Low137 Ų137123.6 Ų123.673%0.73365%0.649SS**THydrogen-bonded Turntrans-87.3-10.5175.9-72.2-23.2000114.2H1214 G1215H1214-N1217 PolarHBondContact O-N 3.3Å; G1215-N1217 PolarHBondContact O-N 3.48Å
1218H48.2Very low62Low166 Ų166123.3 Ų123.377%0.76965%0.654SS**SBendtrans-135.371.4-177.1-68.8-30.5000111.2G1215G1215-H1218 CarbonylContact O-C 3.42Å; G1215-H1218 PolarHBondContact O-N 3.29Å
1219G45.4Very low60.4Low62 Ų62124 Ų12464%0.63966%0.658SS**  trans-65152174.300000113.4
1220N49.4Very low58.7Low159 Ų159123.2 Ų123.285%0.8567%0.665SS**SBendtrans65.589.3168.4-52.3-24.3000117
1221F50.3Low57.2Low208 Ų208121 Ų12191%0.91266%0.662SS**SBendtrans-167.6-15.2133.5-118.7-73.4000116.3
1222T54.9Low55.9Low112 Ų112121.9 Ų121.969%0.68766%0.663SS**  trans-98.3-6.5-160.3420000118Q1224 S1225T1222-Q1224 PolarHBondContact O-N 3.37Å; T1222-S1225 PolarHBondContact O-N 3.34Å
1223L49.5Very low54.5Low151 Ų151121.2 Ų121.279%0.79166%0.66SS**Hα-helixtrans-69.9-21.5-171.7-80.8170.3000115.7
1224Q50.8Low53.4Low183 Ų183118.5 Ų118.586%0.85565%0.652SS**Hα-helixtrans-75.3-24.6177.5-95.9-179.4-23.700113.9T1222T1222-Q1224 PolarHBondContact O-N 3.37Å
1225S54.8Low52.8Low85 Ų85120.1 Ų120.159%0.59466%0.66SS**Hα-helixtrans-79-27.1-176.9-166.40000113.6T1222T1222-S1225 PolarHBondContact O-N 3.34Å
1226L53.9Low52.4Low107 Ų107124.4 Ų124.456%0.5667%0.674SS**Hα-helixtrans-74.2-28.3-177.6-73.9163.9000112.5C1228 N1229 V1230L1226-C1228 VanDerWaalsContact C-N 3.33Å; L1226-C1228 PolarHBondContact O-N 2.89Å; L1226-N1229 PolarHBondContact O-N 3.35Å; L1226-V1230 WeakPolarHBondContact O-CG2 3.29Å; L1226-V1230 PolarHBondContact O-N 3.48Å
1227H51.3Low52.5Low146 Ų146125 Ų12568%0.67667%0.669SS**Hα-helixtrans-69.7-25.3-176.1-160.3-49.4000113.5
1228C55.2Low52.3Low89 Ų89122.4 Ų122.460%0.60166%0.658SS**Hα-helixtrans-75.6-49.6173.2-76.10000111.9L1226 V1230 S1231 Q1232L1226-C1228 VanDerWaalsContact C-N 3.33Å; L1226-C1228 PolarHBondContact O-N 2.89Å; C1228-V1230 VanDerWaalsContact C-N 3.33Å; C1228-V1230 PolarHBondContact O-N 2.82Å; C1228-S1231 PolarHBondContact O-N 2.82Å; C1228-Q1232 PolarHBondContact O-N 3.22Å
1229N53.1Low52.6Low110 Ų110122.4 Ų122.459%0.58866%0.663SS**Hα-helixtrans-67.7-31.8-171.9-67.62.1000113L1226 H1233L1226-N1229 PolarHBondContact O-N 3.35Å; N1229-H1233 PolarHBondContact O-N 3.46Å
1230V54.4Low52.6Low88 Ų88125.3 Ų125.353%0.53366%0.658SS.*Hα-helixtrans-69.6-40.3177.6174.30000111.7L1226 C1228 Q1232 I1234L1226-V1230 WeakPolarHBondContact O-CG2 3.29Å; L1226-V1230 PolarHBondContact O-N 3.48Å; C1228-V1230 VanDerWaalsContact C-N 3.33Å; C1228-V1230 PolarHBondContact O-N 2.82Å; V1230-Q1232 VanDerWaalsContact C-N 3.34Å; V1230-Q1232 PolarHBondContact O-N 3.01Å; V1230-I1234 HydrophobicContact CG1-CD1 3.88Å; V1230-I1234 WeakPolarHBondContact O-CD1 3.34Å; V1230-I1234 VanDerWaalsContact O-CG1 3.31Å; V1230-I1234 WeakPolarHBondContact O-CG1 3.42Å; V1230-I1234 PolarHBondContact O-N 3.32Å
1231S52.5Low52.7Low65 Ų65120.4 Ų120.446%0.45564%0.636SS.*Hα-helixtrans-60.8-44.4175.5-69.40000111.7C1228 I1234 E1235C1228-S1231 PolarHBondContact O-N 2.82Å; S1231-I1234 PolarHBondContact O-N 3.38Å; S1231-E1235 PolarHBondContact O-N 2.76Å
1232Q54.6Low52.9Low131 Ų131114.3 Ų114.361%0.61262%0.624SS**Hα-helixtrans-70.8-35.2-175.1-159.6144.919.100112.8C1228 V1230 I1234 E1235C1228-Q1232 PolarHBondContact O-N 3.22Å; V1230-Q1232 VanDerWaalsContact C-N 3.34Å; V1230-Q1232 PolarHBondContact O-N 3.01Å; Q1232-I1234 VanDerWaalsContact C-N 3.33Å; Q1232-I1234 PolarHBondContact O-N 3.35Å; Q1232-E1235 PolarHBondContact O-N 3.27Å
1233H52.5Low52.9Low135 Ų135116.7 Ų116.763%0.62563%0.628SS**Hα-helixtrans-72.7-24.1177.7-149.8-49.6000113.4N1229 T1237N1229-H1233 PolarHBondContact O-N 3.46Å; H1233-T1237 PolarHBondContact ND1-OG1 3.38Å; H1233-T1237 PolarHBondContact O-OG1 3.1Å
1234I54.7Low53Low108 Ų108114.8 Ų114.855%0.55462%0.615SS**Hα-helixtrans-74-33.6176.5-70.7168.8000111.3V1230 S1231 Q1232V1230-I1234 HydrophobicContact CG1-CD1 3.88Å; V1230-I1234 WeakPolarHBondContact O-CD1 3.34Å; V1230-I1234 VanDerWaalsContact O-CG1 3.31Å; V1230-I1234 WeakPolarHBondContact O-CG1 3.42Å; V1230-I1234 PolarHBondContact O-N 3.32Å; S1231-I1234 PolarHBondContact O-N 3.38Å; Q1232-I1234 VanDerWaalsContact C-N 3.33Å; Q1232-I1234 PolarHBondContact O-N 3.35Å
1235E55.8Low53.2Low159 Ų159114.5 Ų114.574%0.74361%0.606SS**Hα-helixtrans-69.9-39.7177.4-66.7-172.8145.800112.4S1231 Q1232 T1237S1231-E1235 PolarHBondContact O-N 2.76Å; Q1232-E1235 PolarHBondContact O-N 3.27Å; E1235-T1237 PolarHBondContact O-N 3.36Å
1236D53.7Low53.1Low129 Ų129118 Ų11869%0.6961%0.613SS**Hα-helixtrans-74.4-22.4-178.3-78.2-27000114.5
1237T55.3Low52.7Low96 Ų96116.8 Ų116.859%0.58962%0.618SS**Hα-helixtrans-93.1-13.2-168.7-46.10000113.9H1233 E1235H1233-T1237 PolarHBondContact ND1-OG1 3.38Å; H1233-T1237 PolarHBondContact O-OG1 3.1Å; E1235-T1237 PolarHBondContact O-N 3.36Å
1238V48.9Very low52.3Low81 Ų81118.8 Ų118.849%0.49163%0.625SS.*  trans-116.156.4-165.6-169.70000112.5F1240V1238-F1240 HydrophobicContact CG1-CD2 3.69Å; V1238-F1240 HydrophobicContact CG1-CE2 4.11Å; V1238-F1240 PolarHBondContact O-N 3.15Å
1239L53Low52Low166 Ų166119.6 Ų119.687%0.86963%0.632SS**  trans-76.463.1172.8-77.3172.1000112.9S1241L1239-S1241 PolarHBondContact O-N 3.49Å
1240F47.2Very low51.7Low124 Ų124117.2 Ų117.254%0.54463%0.634SS.*  trans-63.2122.1162.8-90.2-82.8000110V1238 Q1244V1238-F1240 HydrophobicContact CG1-CD2 3.69Å; V1238-F1240 HydrophobicContact CG1-CE2 4.11Å; V1238-F1240 PolarHBondContact O-N 3.15Å; F1240-Q1244 HydrophobicContact CD1-CB 4.11Å; F1240-Q1244 VanDerWaalsContact CD1-OE1 3.3Å
1241S51.5Low50.7Low55 Ų55122.4 Ų122.439%0.38565%0.649SS.*  trans-62.9156.4-178.670.50000111.7L1239 E1243 Q1244L1239-S1241 PolarHBondContact O-N 3.49Å; S1241-E1243 PolarHBondContact O-N 3.38Å; S1241-Q1244 PolarHBondContact O-N 3.43Å
1242A53.6Low49.9Very low81 Ų81125.6 Ų125.667%0.66967%0.67SS**THydrogen-bonded Turntrans-59-34.7-174.800000113Q1244 R1245A1242-Q1244 PolarHBondContact O-N 3.07Å; A1242-R1245 PolarHBondContact O-N 3.31Å
1243E54.8Low49.1Very low162 Ų162130.5 Ų130.576%0.75770%0.698SS**G310 helixtrans-64.7-38.3-179.8-64.4171.8130.200112.1S1241 R1245 Q1246S1241-E1243 PolarHBondContact O-N 3.38Å; E1243-R1245 PolarHBondContact O-N 3.3Å; E1243-Q1246 PolarHBondContact O-N 3.5Å
1244Q51.4Low48.9Very low110 Ų110130.3 Ų130.351%0.51470%0.702SS.*G310 helixtrans-69.2-16.8177.8-68.3-179.1-59.700113.2F1240 S1241 A1242F1240-Q1244 HydrophobicContact CD1-CB 4.11Å; F1240-Q1244 VanDerWaalsContact CD1-OE1 3.3Å; S1241-Q1244 PolarHBondContact O-N 3.43Å; A1242-Q1244 PolarHBondContact O-N 3.07Å
1245R55.4Low48.6Very low178 Ų178131.4 Ų131.467%0.67271%0.709SS**G310 helixtrans-82.7-16.5174.8-59.3-171.3-173.9-149.9-0.9113.6A1242 E1243A1242-R1245 PolarHBondContact O-N 3.31Å; E1243-R1245 PolarHBondContact O-N 3.3Å
1246Q52.3Low48.2Very low158 Ų158129.9 Ų129.974%0.73871%0.707SS**THydrogen-bonded Turntrans-94.2-18.7-172-163.7163.3-0.300114.1E1243E1243-Q1246 PolarHBondContact O-N 3.5Å
1247A46.7Very low47.9Very low82 Ų82129.9 Ų129.968%0.67871%0.708SS**SBendtrans-77.5-29174.800000113.5S1249A1247-S1249 VanDerWaalsContact C-N 3.29Å; A1247-S1249 PolarHBondContact O-N 2.94Å
1248F42.7Very low47.4Very low187 Ų187132.1 Ų132.182%0.8272%0.716SS**THydrogen-bonded Turntrans-77.4-2.2-170.9-106.7-78.8000115.6
1249S47.5Very low47.4Very low107 Ų107135.5 Ų135.575%0.74873%0.731SS**THydrogen-bonded Turntrans-98.512.6179.472.30000114.5A1247A1247-S1249 VanDerWaalsContact C-N 3.29Å; A1247-S1249 PolarHBondContact O-N 2.94Å
1250G46.8Very low47Very low60 Ų60133.3 Ų133.362%0.61972%0.721SS**SBendtrans-90.1-31.4-172.400000116.5
1251F34.7Very low46.9Very low196 Ų196134 Ų13486%0.8674%0.735SS**  trans-131.8114.9-173.8-95.3-96.3000111.6
1252C35Very low46.6Very low132 Ų132140.6 Ų140.689%0.89276%0.764SS**  trans-15463.1173.6-900000111
1253I37.8Very low45.9Very low234 Ų234146 Ų146100%1.277%0.772SS**  trans-136.40147.1-60.3-173.6000106

Retrieved 1,253 of 1,253 residues in 528.2 ms (Link to these results)