A0A5K4FA36_SCHMA Loading...

RUN domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FA36, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 390 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
1M55.9Low78.8Confident202 Ų202127.7 Ų127.7100%0.99565%0.645SS**  0-46.60-128170.1-168.400112.8T3 I4M1-T3 PolarHBondContact O-N 3.49Å; M1-I4 PolarHBondContact O-N 3.2Å
2N62.5Low78.9Confident138 Ų138129.6 Ų129.674%0.73865%0.646SS**Hα-helixtrans-59.4-34.1-175.8-78.3-8.9000116.3I4 L6N2-I4 PolarHBondContact O-N 3.29Å; N2-L6 PolarHBondContact O-N 2.81Å
3T74.9Confident78.8Confident106 Ų106132.4 Ų132.465%0.6565%0.646SS**Hα-helixtrans-67.8-33.7-177.5-36.90000113.3M1 L7M1-T3 PolarHBondContact O-N 3.49Å; T3-L7 PolarHBondContact O-N 3.17Å
4I84.6Confident77.9Confident114 Ų114133.1 Ų133.159%0.58565%0.65SS**Hα-helixtrans-70.7-41.3-177.8-62.6174.7000110.4M1 N2 L6 L7 L8M1-I4 PolarHBondContact O-N 3.2Å; N2-I4 PolarHBondContact O-N 3.29Å; I4-L6 VanDerWaalsContact C-N 3.33Å; I4-L6 PolarHBondContact O-N 3.25Å; I4-L7 PolarHBondContact O-N 2.86Å; I4-L8 HydrophobicContact CG2-CD1 4.3Å; I4-L8 PolarHBondContact O-N 3.14Å; I4-L8 VanDerWaalsContact O-N 3.12Å
5I84.2Confident76.9Confident95 Ų95132.7 Ų132.749%0.48765%0.646SS.*Hα-helixtrans-62.5-43178.2-62.9177.6000110.3L7 L8 I9I5-L7 VanDerWaalsContact C-N 3.34Å; I5-L7 PolarHBondContact O-N 3.33Å; I5-L8 PolarHBondContact O-N 3.48Å; I5-I9 HydrophobicContact CG2-CD1 3.98Å; I5-I9 WeakPolarHBondContact O-CG1 3.16Å; I5-I9 PolarHBondContact O-N 3.42Å; I5-I9 VanDerWaalsContact O-N 3.08Å
6L82.8Confident75.9Confident113 Ų113129.8 Ų129.859%0.59263%0.634SS**Hα-helixtrans-64.3-37.7179.8-158.574.5000112.5N2 I4 K10N2-L6 PolarHBondContact O-N 2.81Å; I4-L6 VanDerWaalsContact C-N 3.33Å; I4-L6 PolarHBondContact O-N 3.25Å; L6-K10 PolarHBondContact O-N 3.27Å; L6-K10 VanDerWaalsContact O-N 3.08Å
7L84Confident75.2Confident116 Ų116126.7 Ų126.761%0.60762%0.624SS**Hα-helixtrans-65.5-40.5175.2-81.1163.4000112.3T3 I4 I5 K10 K11T3-L7 PolarHBondContact O-N 3.17Å; I4-L7 PolarHBondContact O-N 2.86Å; I5-L7 VanDerWaalsContact C-N 3.34Å; I5-L7 PolarHBondContact O-N 3.33Å; L7-K10 PolarHBondContact O-N 2.66Å; L7-K11 WeakPolarHBondContact O-CB 3.49Å; L7-K11 PolarHBondContact O-N 3.21Å
8L84.9Confident73.4Confident111 Ų111127.4 Ų127.458%0.58163%0.626SS**Hα-helixtrans-65.5-40.8177.3-73.6169.3000112.2I4 I5 K11 K12I4-L8 HydrophobicContact CG2-CD1 4.3Å; I4-L8 PolarHBondContact O-N 3.14Å; I4-L8 VanDerWaalsContact O-N 3.12Å; I5-L8 PolarHBondContact O-N 3.48Å; L8-K11 PolarHBondContact O-N 2.82Å; L8-K12 WeakPolarHBondContact O-CB 3.49Å; L8-K12 PolarHBondContact O-N 2.9Å
9I85.3Confident72.3Confident102 Ų102125.8 Ų125.852%0.52362%0.623SS.*Hα-helixtrans-64.1-46.7176.5-66.1169.5000110.5I5 K11 K12 Y13I5-I9 HydrophobicContact CG2-CD1 3.98Å; I5-I9 WeakPolarHBondContact O-CG1 3.16Å; I5-I9 PolarHBondContact O-N 3.42Å; I5-I9 VanDerWaalsContact O-N 3.08Å; I9-K11 VanDerWaalsContact C-N 3.34Å; I9-K11 PolarHBondContact O-N 3.27Å; I9-K12 PolarHBondContact O-N 2.92Å; I9-Y13 PolarHBondContact O-N 3.11Å
10K84.4Confident70.9Confident154 Ų154129.2 Ų129.267%0.6763%0.629SS**Hα-helixtrans-59-44.1176.4-92.5-172.6172-177.20112.2L6 L7 K12 Y13 M14L6-K10 PolarHBondContact O-N 3.27Å; L6-K10 VanDerWaalsContact O-N 3.08Å; L7-K10 PolarHBondContact O-N 2.66Å; K10-K12 VanDerWaalsContact C-N 3.35Å; K10-K12 PolarHBondContact O-N 3.22Å; K10-Y13 PolarHBondContact O-N 3.41Å; K10-M14 PolarHBondContact O-N 3.3Å
11K83.6Confident69.7Low154 Ų154129.3 Ų129.367%0.6763%0.632SS**Hα-helixtrans-62.2-43179.1-166.5176.8-177179.30111.6L7 L8 I9 M14 Q15L7-K11 WeakPolarHBondContact O-CB 3.49Å; L7-K11 PolarHBondContact O-N 3.21Å; L8-K11 PolarHBondContact O-N 2.82Å; I9-K11 VanDerWaalsContact C-N 3.34Å; I9-K11 PolarHBondContact O-N 3.27Å; K11-M14 PolarHBondContact O-N 3.36Å; K11-Q15 PolarHBondContact O-N 2.96Å
12K79.9Confident69.2Low150 Ų150126.4 Ų126.465%0.65262%0.62SS**Hα-helixtrans-67.3-37.6178.7-160.1168.4-175.1174.60112.1L8 I9 K10 I16L8-K12 WeakPolarHBondContact O-CB 3.49Å; L8-K12 PolarHBondContact O-N 2.9Å; I9-K12 PolarHBondContact O-N 2.92Å; K10-K12 VanDerWaalsContact C-N 3.35Å; K10-K12 PolarHBondContact O-N 3.22Å; K12-I16 WeakPolarHBondContact O-CD1 3.24Å; K12-I16 WeakPolarHBondContact O-CG1 3.21Å; K12-I16 PolarHBondContact O-N 3.33Å
13Y76.8Confident67.9Low166 Ų166126.3 Ų126.365%0.65162%0.619SS**Hα-helixtrans-67.1-42.2177.6-153.1-88000112.1I9 K10 Q15 I16 V17I9-Y13 PolarHBondContact O-N 3.11Å; K10-Y13 PolarHBondContact O-N 3.41Å; Y13-Q15 VanDerWaalsContact C-N 3.34Å; Y13-Q15 PolarHBondContact O-N 3.42Å; Y13-I16 PolarHBondContact O-N 3.44Å; Y13-V17 HydrophobicContact CD1-CG2 4.07Å; Y13-V17 HydrophobicContact CE1-CG2 4.05Å; Y13-V17 WeakPolarHBondContact O-CG2 3.45Å; Y13-V17 PolarHBondContact O-N 3.44Å
14M66.3Low65.7Low142 Ų142130 Ų13070%0.763%0.629SS**Hα-helixtrans-63-40.4178.9-163.2-169.9-101.800111.7K10 K11 I16 V17 E18K10-M14 PolarHBondContact O-N 3.3Å; K11-M14 PolarHBondContact O-N 3.36Å; M14-I16 VanDerWaalsContact C-N 3.32Å; M14-I16 PolarHBondContact O-N 3.23Å; M14-V17 PolarHBondContact O-N 3.32Å; M14-E18 PolarHBondContact O-N 3.16Å; M14-E18 VanDerWaalsContact O-N 3.13Å
15Q63.8Low63.1Low127 Ų127129.4 Ų129.459%0.59364%0.636SS**Hα-helixtrans-61.3-38.5176-125.6174.918.200112.8K11 Y13 V19K11-Q15 PolarHBondContact O-N 2.96Å; Y13-Q15 VanDerWaalsContact C-N 3.34Å; Y13-Q15 PolarHBondContact O-N 3.42Å; Q15-V19 WeakPolarHBondContact O-CG2 3.47Å; Q15-V19 PolarHBondContact O-N 3.45Å
16I61.1Low60.7Low87 Ų87134.8 Ų134.845%0.44666%0.655SS.*Hα-helixtrans-69.4-36.5179.1-67.6161.1000111.4K12 Y13 M14 R20K12-I16 WeakPolarHBondContact O-CD1 3.24Å; K12-I16 WeakPolarHBondContact O-CG1 3.21Å; K12-I16 PolarHBondContact O-N 3.33Å; Y13-I16 PolarHBondContact O-N 3.44Å; M14-I16 VanDerWaalsContact C-N 3.32Å; M14-I16 PolarHBondContact O-N 3.23Å; I16-R20 PolarHBondContact O-N 2.82Å
17V62.5Low58.1Low77 Ų77139.4 Ų139.447%0.46767%0.671SS.*Hα-helixtrans-68.8-40.6178.9174.10000111Y13 M14 V19 R20Y13-V17 HydrophobicContact CD1-CG2 4.07Å; Y13-V17 HydrophobicContact CE1-CG2 4.05Å; Y13-V17 WeakPolarHBondContact O-CG2 3.45Å; Y13-V17 PolarHBondContact O-N 3.44Å; M14-V17 PolarHBondContact O-N 3.32Å; V17-V19 PolarHBondContact O-N 3.26Å; V17-R20 PolarHBondContact O-N 3.15Å
18E44.4Very low55.5Low140 Ų140139.3 Ų139.365%0.65468%0.677SS**Hα-helixtrans-65.9-39.7-178.4-146.8169.1-153.900112.2M14 R20 N21M14-E18 PolarHBondContact O-N 3.16Å; M14-E18 VanDerWaalsContact O-N 3.13Å; E18-R20 VanDerWaalsContact C-N 3.27Å; E18-R20 PolarHBondContact O-N 3.49Å; E18-N21 PolarHBondContact O-N 3.26Å
19V52.2Low52.8Low96 Ų96139 Ų13958%0.58269%0.685SS**Hα-helixtrans-65.7-30.5175.8175.40000112Q15 V17Q15-V19 WeakPolarHBondContact O-CG2 3.47Å; Q15-V19 PolarHBondContact O-N 3.45Å; V17-V19 PolarHBondContact O-N 3.26Å
20R44.5Very low50.1Low193 Ų193140.5 Ų140.573%0.72870%0.698SS**Hα-helixtrans-75.1-26.1-175.7-154.7-179.9-80175.9-5.5112.9I16 V17 E18 L22I16-R20 PolarHBondContact O-N 2.82Å; V17-R20 PolarHBondContact O-N 3.15Å; E18-R20 VanDerWaalsContact C-N 3.27Å; E18-R20 PolarHBondContact O-N 3.49Å; R20-L22 VanDerWaalsContact C-N 3.33Å; R20-L22 PolarHBondContact O-N 3.33Å
21N45Very low47.4Very low132 Ų132140.4 Ų140.471%0.70671%0.705SS**THydrogen-bonded Turntrans-78-11.3179.8-91.4-15.3000114.7E18E18-N21 PolarHBondContact O-N 3.26Å
22L45.4Very low44.8Very low142 Ų142143.2 Ų143.274%0.74372%0.718SS**THydrogen-bonded Turntrans-90.5-9.9-177.5-81.9158.3000114.4R20R20-L22 VanDerWaalsContact C-N 3.33Å; R20-L22 PolarHBondContact O-N 3.33Å
23N36.1Very low42.5Very low135 Ų135140.9 Ų140.972%0.72273%0.726SS**  trans-10212-170.1-67.8-15.2000114.7S25N23-S25 PolarHBondContact O-N 3.42Å
24E27.7Very low40.1Very low183 Ų183142.8 Ų142.886%0.85574%0.738SS**  trans-98.668-177.5-148.8167.9-147.500111.1
25S31Very low38.2Very low103 Ų103145.5 Ų145.572%0.7275%0.749SS**  trans-133.7115.1172.280.10000113.8N23N23-S25 PolarHBondContact O-N 3.42Å
26K33.8Very low36.5Very low207 Ų207144.5 Ų144.590%0.976%0.756SS**  trans56.295.1151.6-72.8177.3175.8175.70118.9
27K27.4Very low35.4Very low210 Ų210146.2 Ų146.291%0.91377%0.773SS**PPolyproline II helixtrans-65.8130.5157.1-98.5173.9173.1171.20111.9
28P29.9Very low34Very low115 Ų115152.2 Ų152.275%0.74779%0.792SS**PPolyproline II helixtrans-90.3141.115521.5-7.8000111
29S28Very low33.3Very low105 Ų105154.7 Ų154.773%0.73480%0.804SS**PPolyproline II helixtrans-84.7124176.2138.20000109.6
30T28.2Very low32.6Very low132 Ų132156 Ų15681%0.8181%0.808SS**  trans-124.4125.5172.39.20000110.9
31N28.5Very low31.8Very low153 Ų153151 Ų15182%0.81882%0.817SS**  trans-75.7141.4-173.5-69.8-55.9000112.2A33N31-A33 PolarHBondContact O-N 2.94Å
32F28.6Very low31.2Very low213 Ų213154.4 Ų154.493%0.93482%0.82SS**  trans-75.7113.8172.7-76.7-92.5000110.6
33A31Very low30.7Very low100 Ų100157.1 Ų157.183%0.82683%0.829SS**  trans-100.9120.1162.100000108.9N31N31-A33 PolarHBondContact O-N 2.94Å
34K26.4Very low30.9Very low207 Ų207154.9 Ų154.990%0.982%0.823SS**  trans-73.9120.5171.1-78.5170.7171.2174.80108.6
35E27.4Very low31Very low198 Ų198149.8 Ų149.893%0.92582%0.82SS**  trans-132.8133.8160.8-152.5168.4-172.100109.4
36S28.2Very low31Very low106 Ų106150.5 Ų150.574%0.74182%0.815SS**  trans-107.2168.3-171.2-63.90000109.8
37P37.6Very low31.4Very low123 Ų123145 Ų14580%0.79980%0.795SS**  trans-93153.4-138.135.9-35.8000114.4
38K33Very low31.9Very low203 Ų203140 Ų14088%0.88378%0.784SS**  trans-126.2116.9159.4-91.6172.5175.8170.90108.5D40K38-D40 PolarHBondContact O-N 3.34Å
39E29.5Very low32.5Very low193 Ų193141.5 Ų141.590%0.90279%0.786SS**  trans-70.7115.3167.6-66.3-166.1158.400108.8
40D36.6Very low33Very low123 Ų123141 Ų14166%0.65878%0.778SS**  trans-120.1108.7162.1-92.6-37.3000107.3K38 R42K38-D40 PolarHBondContact O-N 3.34Å; D40-R42 PolarHBondContact O-N 2.91Å
41G27.8Very low33.5Very low89 Ų89141 Ų14192%0.91877%0.772SS**  trans-70.659.7-176.800000113.9
42R32.2Very low34Very low202 Ų202140 Ų14076%0.76277%0.767SS**  trans-106.8106.8169-50.6-171.3-159.2-167.96.4106.7D40 S44D40-R42 PolarHBondContact O-N 2.91Å; R42-S44 PolarHBondContact O-N 3.24Å
43E35.9Very low34.5Very low200 Ų200138.5 Ų138.594%0.93576%0.763SS**  trans-59.181.9161.7-175.1177.6-174.300106.9G45E43-G45 PolarHBondContact O-N 2.99Å
44S39.6Very low34.8Very low87 Ų87139.6 Ų139.661%0.60876%0.76SS**  trans-68.6103.7175.5-174.50000105.3R42 I46R42-S44 PolarHBondContact O-N 3.24Å; S44-I46 PolarHBondContact O-N 3.48Å
45G30.2Very low35.4Very low76 Ų76135.1 Ų135.178%0.78475%0.754SS**  trans-5592.7167.200000108.5E43 D47E43-G45 PolarHBondContact O-N 2.99Å; G45-D47 PolarHBondContact O-N 2.86Å
46I32.2Very low35.8Very low119 Ų119131.1 Ų131.161%0.6174%0.744SS**  trans-78103.8169.4-67.7145.3000104S44S44-I46 PolarHBondContact O-N 3.48Å
47D40.7Very low36.1Very low92 Ų92130.1 Ų130.149%0.49274%0.736SS.*  trans-50.3121.3167.7-170-15.6000107.9G45 D49 T50G45-D47 PolarHBondContact O-N 2.86Å; D47-D49 PolarHBondContact O-N 2.85Å; D47-D49 PolarHBondContact OD1-N 3.47Å; D47-T50 PolarHBondContact O-N 2.97Å; D47-T50 PolarHBondContact O-OG1 3.23Å; D47-T50 VanDerWaalsContact O-OG1 3.14Å
48P38Very low36.2Very low103 Ų103132.2 Ų132.267%0.66974%0.738SS**G310 helixtrans-57.2-15.4-177.722.3-34000113.5T50P48-T50 VanDerWaalsContact C-N 3.25Å; P48-T50 PolarHBondContact O-N 3.17Å
49D43.6Very low36.4Very low148 Ų148130.1 Ų130.179%0.79173%0.734SS**G310 helixtrans-77.8-5176.8-71.1-10000114D47D47-D49 PolarHBondContact O-N 2.85Å; D47-D49 PolarHBondContact OD1-N 3.47Å
50T37.2Very low36.5Very low94 Ų94123.5 Ų123.558%0.57772%0.718SS**G310 helixtrans-104.913.3-178.9-13.80000114.6D47 P48 D52D47-T50 PolarHBondContact O-N 2.97Å; D47-T50 PolarHBondContact O-OG1 3.23Å; D47-T50 VanDerWaalsContact O-OG1 3.14Å; P48-T50 VanDerWaalsContact C-N 3.25Å; P48-T50 PolarHBondContact O-N 3.17Å; T50-D52 PolarHBondContact O-N 3.33Å
51L39.5Very low36.6Very low131 Ų131123.6 Ų123.669%0.68672%0.718SS**  trans-78.467.2168-66.4-178.4000109.8E53L51-E53 PolarHBondContact O-N 3.35Å
52D37.9Very low37Very low134 Ų134124.7 Ų124.772%0.71771%0.712SS**  trans-55.3105162.3-104.9-15.6000108T50 T54T50-D52 PolarHBondContact O-N 3.33Å; D52-T54 PolarHBondContact O-N 3.42Å; D52-T54 PolarHBondContact O-OG1 3.46Å
53E40.5Very low37.3Very low181 Ų181121.2 Ų121.285%0.84671%0.708SS**  trans21.847.9148.3-57.6-167.216700118.1L51 S55L51-E53 PolarHBondContact O-N 3.35Å; E53-S55 PolarHBondContact O-N 3.42Å
54T37.6Very low37.6Very low123 Ų123114.9 Ų114.976%0.75569%0.686SS**  trans-91.552.6161.927.20000109.2D52 T56D52-T54 PolarHBondContact O-N 3.42Å; D52-T54 PolarHBondContact O-OG1 3.46Å; T54-T56 PolarHBondContact O-N 3.37Å
55S37.8Very low37.5Very low112 Ų112118.2 Ų118.278%0.78370%0.696SS**  trans-66.277.7150.8-65.10000106.4E53 S57E53-S55 PolarHBondContact O-N 3.42Å; S55-S57 PolarHBondContact O-N 3.06Å
56T35.8Very low38.1Very low115 Ų115121 Ų12171%0.70669%0.693SS**  trans-63.786.9163.738.60000106.1T54 M58T54-T56 PolarHBondContact O-N 3.37Å; T56-M58 PolarHBondContact O-N 3.28Å
57S34Very low38.4Very low84 Ų84121.2 Ų121.259%0.58770%0.695SS**  trans-59.790.3169.7-1770000106.7S55 I59S55-S57 PolarHBondContact O-N 3.06Å; S57-I59 PolarHBondContact O-N 3.44Å; S57-I59 WeakPolarHBondContact OG-CB 3.25Å
58M40.7Very low38.3Very low167 Ų167123.9 Ų123.982%0.82371%0.707SS**  trans-72.920.8166.4-65.8-136.789.100111.3T56 G60T56-M58 PolarHBondContact O-N 3.28Å; M58-G60 PolarHBondContact O-N 3.33Å
59I36.3Very low38.2Very low159 Ų159128.3 Ų128.382%0.81572%0.715SS**THydrogen-bonded Turntrans-72.975.4160.7-104.1139.4000106.9S57S57-I59 PolarHBondContact O-N 3.44Å; S57-I59 WeakPolarHBondContact OG-CB 3.25Å
60G33.3Very low37.8Very low54 Ų54125.9 Ų125.956%0.55771%0.709SS**THydrogen-bonded Turntrans-169.10.7-172.900000117.4M58M58-G60 PolarHBondContact O-N 3.33Å
61N37.6Very low37.7Very low125 Ų125127.8 Ų127.867%0.66872%0.72SS**  trans-113.364168.3-80.716.2000109.8L63N61-L63 HydrophobicContact CB-CG 4.44Å; N61-L63 PolarHBondContact O-N 3.23Å
62S36.5Very low37.4Very low112 Ų112127.8 Ų127.878%0.78373%0.726SS**  trans-64.579.4145.153.60000106.4S64S62-S64 PolarHBondContact O-N 3.46Å
63L39Very low37.2Very low130 Ų130128.1 Ų128.168%0.68173%0.728SS**  trans-62.792.8161.3-72.4169.7000104.7N61 L65N61-L63 HydrophobicContact CB-CG 4.44Å; N61-L63 PolarHBondContact O-N 3.23Å; L63-L65 PolarHBondContact O-N 2.94Å
64S41.2Very low36.8Very low67 Ų67126.6 Ų126.647%0.46973%0.726SS.*  trans-48.3137.3169.3-178.50000107.1S62 N66 D67S62-S64 PolarHBondContact O-N 3.46Å; S64-N66 PolarHBondContact O-N 3.18Å; S64-D67 PolarHBondContact O-N 3.35Å; S64-D67 VanDerWaalsContact O-N 3.14Å
65L38.7Very low36.5Very low157 Ų157129.3 Ų129.382%0.82273%0.734SS**THydrogen-bonded Turntrans-53.4-8.6-172.8-129.492000114.4L63L63-L65 PolarHBondContact O-N 2.94Å
66N42.7Very low36.2Very low133 Ų133129 Ų12971%0.71173%0.733SS**THydrogen-bonded Turntrans-97.6-13.1-173.2-61.9-14.8000114.6S64 M68S64-N66 PolarHBondContact O-N 3.18Å; N66-M68 VanDerWaalsContact C-N 3.34Å; N66-M68 PolarHBondContact O-N 2.92Å
67D37.9Very low36Very low124 Ų124131.3 Ų131.366%0.66374%0.74SS**  trans-83.5-3.3-169.7-77.5-15.1000115.3S64 K69S64-D67 PolarHBondContact O-N 3.35Å; S64-D67 VanDerWaalsContact O-N 3.14Å; D67-K69 PolarHBondContact O-N 3.1Å
68M38.5Very low36.2Very low148 Ų148132.7 Ų132.773%0.72975%0.745SS**  trans-101.381.5171.1-156.4167.1-103.400109.6N66 C70N66-M68 VanDerWaalsContact C-N 3.34Å; N66-M68 PolarHBondContact O-N 2.92Å; M68-C70 VanDerWaalsContact C-N 3.31Å; M68-C70 PolarHBondContact O-N 2.85Å
69K35.2Very low36.1Very low197 Ų197132 Ų13286%0.85775%0.751SS**  trans-50.399.7157.7-92.7174.6171.1179.70107.5D67 T71D67-K69 PolarHBondContact O-N 3.1Å; K69-T71 PolarHBondContact O-N 2.86Å; K69-T71 VanDerWaalsContact O-N 3.15Å
70C36.9Very low36.4Very low97 Ų97131.1 Ų131.166%0.65574%0.743SS**  trans-60.8116.4163.2-680000106.2M68 T72M68-C70 VanDerWaalsContact C-N 3.31Å; M68-C70 PolarHBondContact O-N 2.85Å; C70-T72 PolarHBondContact O-N 3.27Å
71T33.1Very low37.2Very low133 Ų133135.6 Ų135.682%0.81676%0.759SS**  trans-63.387.5165.950.20000107.3K69 N73K69-T71 PolarHBondContact O-N 2.86Å; K69-T71 VanDerWaalsContact O-N 3.15Å; T71-N73 PolarHBondContact O-N 3.41Å
72T34.4Very low38Very low132 Ų132135.7 Ų135.781%0.8176%0.76SS**  trans-72.379.516625.70000107.9C70 D74C70-T72 PolarHBondContact O-N 3.27Å; T72-D74 PolarHBondContact O-N 3.45Å
73N33.9Very low39.3Very low141 Ų141139.6 Ų139.675%0.75476%0.763SS**  trans-75.2109.4145.8-79.85000105T71T71-N73 PolarHBondContact O-N 3.41Å
74D32.2Very low40.8Very low149 Ų149136.3 Ų136.380%0.79775%0.749SS**  trans153.789.1143.1-71.4-15.2000109.8T72 S76T72-D74 PolarHBondContact O-N 3.45Å; D74-S76 PolarHBondContact O-N 2.9Å; D74-S76 VanDerWaalsContact O-N 3.17Å
75L30.8Very low42.7Very low179 Ų179136 Ų13694%0.93775%0.747SS**  trans3.993.5138-157.775.1000116
76S32.5Very low44.8Very low107 Ų107133.6 Ų133.675%0.74874%0.739SS**  trans-173.1134.9139.346.20000110.8D74 T78D74-S76 PolarHBondContact O-N 2.9Å; D74-S76 VanDerWaalsContact O-N 3.17Å; S76-T78 PolarHBondContact O-N 3.3Å
77N31.6Very low46.7Very low162 Ų162132.5 Ų132.587%0.86673%0.732SS**  trans-73.1109.3179-56.7-47.5000109.5
78T37.5Very low48.9Very low113 Ų113128.9 Ų128.969%0.69371%0.714SS**  trans-158.1128.1142.643.90000109S76 E80S76-T78 PolarHBondContact O-N 3.3Å; T78-E80 PolarHBondContact O-N 2.9Å
79T37.9Very low51.3Low152 Ų152125.5 Ų125.593%0.93370%0.698SS**  trans-68.841.1179.133.90000113.7
80E43.7Very low53.9Low142 Ų142121.1 Ų121.166%0.66468%0.684SS**  trans-91.1111.7165.3-72.5-166.8165.800107.6T78 N82T78-E80 PolarHBondContact O-N 2.9Å; E80-N82 PolarHBondContact O-N 3.36Å
81V49.8Very low56.4Low147 Ų147123.4 Ų123.489%0.89168%0.679SS**  trans-58.484.1163.6178.20000105.8K83V81-K83 PolarHBondContact O-N 2.99Å
82N53.6Low58.8Low127 Ų127123.9 Ų123.968%0.67967%0.666SS**  trans-54.9113.6-168.8-86.2-44.2000107.8E80 P84E80-N82 PolarHBondContact O-N 3.36Å; N82-P84 VanDerWaalsContact O-N 3.12Å
83K64.2Low61.5Low194 Ų194121.8 Ų121.884%0.84365%0.649SS**PPolyproline II helixtrans-46.6125167.4-88.6173.5177.21700106.1V81 S85V81-K83 PolarHBondContact O-N 2.99Å; K83-S85 PolarHBondContact O-N 3.49Å
84P71Confident64.2Low61 Ų61117.8 Ų117.840%0.39664%0.635SS.*PPolyproline II helixtrans-54.8130.8-179.320.6-30.2000107.8N82 T88 I89N82-P84 VanDerWaalsContact O-N 3.12Å; P84-T88 HydrophobicContact CB-CG2 4.32Å; P84-I89 HydrophobicContact CB-CG1 4.04Å; P84-I89 HydrophobicContact CG-CD1 4.09Å; P84-I89 HydrophobicContact CG-CG1 3.9Å; P84-I89 WeakPolarHBondContact O-CD1 3.47Å
85S80.5Confident67.1Low61 Ų61117.5 Ų117.543%0.42762%0.623SS.*PPolyproline II helixtrans-56150.4-178.992.60000109.4K83 I87 T88 I89K83-S85 PolarHBondContact O-N 3.49Å; S85-I87 PolarHBondContact O-N 3.34Å; S85-I87 VanDerWaalsContact O-N 3.08Å; S85-I87 PolarHBondContact OG-N 3.49Å; S85-T88 WeakPolarHBondContact O-CA 3.49Å; S85-T88 VanDerWaalsContact O-CB 3.32Å; S85-T88 WeakPolarHBondContact O-CB 3.33Å; S85-T88 PolarHBondContact O-N 2.98Å; S85-T88 PolarHBondContact OG-N 3.26Å; S85-T88 PolarHBondContact OG-OG1 3.3Å; S85-I89 PolarHBondContact O-N 3.48Å
86V83.1Confident70Confident107 Ų107116.2 Ų116.265%0.64861%0.607SS**Hα-helixtrans-51-38.2178.4177.50000110.7T88 I89 L90V86-T88 PolarHBondContact O-N 2.9Å; V86-I89 PolarHBondContact O-N 3.15Å; V86-L90 HydrophobicContact CG1-CD1 3.99Å; V86-L90 HydrophobicContact CG1-CG 4.32Å; V86-L90 WeakPolarHBondContact O-CB 3.49Å; V86-L90 WeakPolarHBondContact O-CG 3.4Å; V86-L90 PolarHBondContact O-N 3.4Å
87I81.8Confident72.9Confident109 Ų109115.3 Ų115.356%0.55959%0.593SS**Hα-helixtrans-61.6-43.1176.4-57.6171.8000111.1S85 L90 R91S85-I87 PolarHBondContact O-N 3.34Å; S85-I87 VanDerWaalsContact O-N 3.08Å; S85-I87 PolarHBondContact OG-N 3.49Å; I87-L90 PolarHBondContact O-N 3.41Å; I87-R91 VanDerWaalsContact O-CB 3.28Å; I87-R91 WeakPolarHBondContact O-CB 3.33Å; I87-R91 PolarHBondContact O-N 3.36Å
88T85.5Confident75.9Confident49 Ų49110.3 Ų110.330%0.30157%0.574SS.*Hα-helixtrans-64.3-42176.3-52.60000111.6P84 S85 V86 R91 R92P84-T88 HydrophobicContact CB-CG2 4.32Å; S85-T88 WeakPolarHBondContact O-CA 3.49Å; S85-T88 VanDerWaalsContact O-CB 3.32Å; S85-T88 WeakPolarHBondContact O-CB 3.33Å; S85-T88 PolarHBondContact O-N 2.98Å; S85-T88 PolarHBondContact OG-N 3.26Å; S85-T88 PolarHBondContact OG-OG1 3.3Å; V86-T88 PolarHBondContact O-N 2.9Å; T88-R91 PolarHBondContact O-N 3.07Å; T88-R92 WeakPolarHBondContact O-CG 3.25Å; T88-R92 PolarHBondContact O-N 3.47Å
89I87.7Confident78.4Confident76 Ų76110.7 Ų110.739%0.3957%0.571SS.*Hα-helixtrans-63.8-47.8177.4-62.1171.7000110.4P84 S85 V86 R91 R92 L93P84-I89 HydrophobicContact CB-CG1 4.04Å; P84-I89 HydrophobicContact CG-CD1 4.09Å; P84-I89 HydrophobicContact CG-CG1 3.9Å; P84-I89 WeakPolarHBondContact O-CD1 3.47Å; S85-I89 PolarHBondContact O-N 3.48Å; V86-I89 PolarHBondContact O-N 3.15Å; I89-R91 VanDerWaalsContact C-N 3.34Å; I89-R91 PolarHBondContact O-N 2.72Å; I89-R92 WeakPolarHBondContact O-CB 3.25Å; I89-R92 PolarHBondContact O-N 3.45Å; I89-L93 HydrophobicContact CG2-CD1 3.96Å; I89-L93 PolarHBondContact O-N 3.49Å
90L89.8Confident81.1Confident105 Ų105110.3 Ų110.355%0.5555%0.553SS.*Hα-helixtrans-61.1-41.9177.4-72.5173.6000111.8V86 I87 R92 L93 A94V86-L90 HydrophobicContact CG1-CD1 3.99Å; V86-L90 HydrophobicContact CG1-CG 4.32Å; V86-L90 WeakPolarHBondContact O-CB 3.49Å; V86-L90 WeakPolarHBondContact O-CG 3.4Å; V86-L90 PolarHBondContact O-N 3.4Å; I87-L90 PolarHBondContact O-N 3.41Å; L90-R92 VanDerWaalsContact C-N 3.34Å; L90-R92 PolarHBondContact O-N 3.13Å; L90-L93 PolarHBondContact O-N 3.18Å; L90-A94 WeakPolarHBondContact O-CB 3.49Å; L90-A94 PolarHBondContact O-N 3.14Å
91R89.3Confident83.5Confident146 Ų146107.8 Ų107.855%0.55154%0.543SS*.Hα-helixtrans-64.5-38176.5-165.2179-68.5150.4-1.9111.8I87 T88 I89 R95I87-R91 VanDerWaalsContact O-CB 3.28Å; I87-R91 WeakPolarHBondContact O-CB 3.33Å; I87-R91 PolarHBondContact O-N 3.36Å; T88-R91 PolarHBondContact O-N 3.07Å; I89-R91 VanDerWaalsContact C-N 3.34Å; I89-R91 PolarHBondContact O-N 2.72Å; R91-R95 WeakPolarHBondContact O-CG 3.48Å; R91-R95 PolarHBondContact O-N 2.88Å; R91-R95 VanDerWaalsContact O-N 3.15Å
92R83.4Confident85.5Confident143 Ų143103.6 Ų103.654%0.5452%0.524SS..Hα-helixtrans-65.5-45.9173.3-76.4178.9178-177.1-0.4111.6T88 I89 L90 R95 Y96T88-R92 WeakPolarHBondContact O-CG 3.25Å; T88-R92 PolarHBondContact O-N 3.47Å; I89-R92 WeakPolarHBondContact O-CB 3.25Å; I89-R92 PolarHBondContact O-N 3.45Å; L90-R92 VanDerWaalsContact C-N 3.34Å; L90-R92 PolarHBondContact O-N 3.13Å; R92-R95 PolarHBondContact O-N 3.39Å; R92-Y96 PolarHBondContact O-N 3.26Å
93L91.7Very high87.3Confident87 Ų87102.5 Ų102.546%0.45552%0.518SS..Hα-helixtrans-59.8-46.8175.9-91.2157.3000112I89 L90 R95 Y96 L97I89-L93 HydrophobicContact CG2-CD1 3.96Å; I89-L93 PolarHBondContact O-N 3.49Å; L90-L93 PolarHBondContact O-N 3.18Å; L93-R95 VanDerWaalsContact C-N 3.33Å; L93-R95 PolarHBondContact O-N 3.26Å; L93-Y96 PolarHBondContact O-N 3.33Å; L93-L97 WeakPolarHBondContact O-CB 3.36Å; L93-L97 WeakPolarHBondContact O-CG 3.32Å; L93-L97 PolarHBondContact O-N 3.48Å
94A91.6Very high88.9Confident57 Ų5799.9 Ų99.947%0.47151%0.507SS..Hα-helixtrans-60-43.1178.500000111.8L90 L97 A98L90-A94 WeakPolarHBondContact O-CB 3.49Å; L90-A94 PolarHBondContact O-N 3.14Å; A94-L97 PolarHBondContact O-N 3.44Å; A94-A98 WeakPolarHBondContact O-CB 3.37Å; A94-A98 PolarHBondContact O-N 3.27Å
95R91.6Very high89.9Confident144 Ų144105.8 Ų105.854%0.54352%0.521SS..Hα-helixtrans-62.2-46173.9-72.3177.9-175.2-157.81.3111.5R91 R92 L93 L97 A98 L99R91-R95 WeakPolarHBondContact O-CG 3.48Å; R91-R95 PolarHBondContact O-N 2.88Å; R91-R95 VanDerWaalsContact O-N 3.15Å; R92-R95 PolarHBondContact O-N 3.39Å; L93-R95 VanDerWaalsContact C-N 3.33Å; L93-R95 PolarHBondContact O-N 3.26Å; R95-L97 PolarHBondContact O-N 3.44Å; R95-A98 PolarHBondContact O-N 3.48Å; R95-L99 WeakPolarHBondContact O-CD1 3.43Å; R95-L99 PolarHBondContact O-N 3.05Å
96Y93.1Very high90.6Very high151 Ų151108.8 Ų108.859%0.59253%0.528SS*.Hα-helixtrans-60.8-43.7178.2-176.4-101.5000112.3R92 L93 L99 R100R92-Y96 PolarHBondContact O-N 3.26Å; L93-Y96 PolarHBondContact O-N 3.33Å; Y96-L99 PolarHBondContact O-N 2.96Å; Y96-R100 WeakPolarHBondContact O-CB 3.47Å; Y96-R100 PolarHBondContact O-N 2.96Å
97L93.2Very high91Very high89 Ų89106.8 Ų106.847%0.46652%0.519SS..Hα-helixtrans-63-43.5175.5-71.2173.7000111.6L93 A94 R95 L99 R100 I101L93-L97 WeakPolarHBondContact O-CB 3.36Å; L93-L97 WeakPolarHBondContact O-CG 3.32Å; L93-L97 PolarHBondContact O-N 3.48Å; A94-L97 PolarHBondContact O-N 3.44Å; R95-L97 PolarHBondContact O-N 3.44Å; L97-L99 PolarHBondContact O-N 3.43Å; L97-R100 PolarHBondContact O-N 3.46Å; L97-I101 WeakPolarHBondContact O-CB 3.46Å; L97-I101 VanDerWaalsContact O-CG1 3.23Å; L97-I101 WeakPolarHBondContact O-CG1 3.35Å; L97-I101 PolarHBondContact O-N 2.97Å
98A93.8Very high91.5Very high56 Ų56106.5 Ų106.546%0.46352%0.518SS..Hα-helixtrans-60-46.3176.600000112A94 R95 R100 I101 A102A94-A98 WeakPolarHBondContact O-CB 3.37Å; A94-A98 PolarHBondContact O-N 3.27Å; R95-A98 PolarHBondContact O-N 3.48Å; A98-R100 VanDerWaalsContact C-N 3.35Å; A98-R100 PolarHBondContact O-N 3.23Å; A98-I101 PolarHBondContact O-N 3Å; A98-A102 WeakPolarHBondContact O-CB 3.39Å; A98-A102 PolarHBondContact O-N 3.25Å
99L91.1Very high91.8Very high121 Ų121106.9 Ų106.963%0.63453%0.526SS*.Hα-helixtrans-60.8-43.9174.6-89.784.2000111.5R95 Y96 L97 I101 A102 N103R95-L99 WeakPolarHBondContact O-CD1 3.43Å; R95-L99 PolarHBondContact O-N 3.05Å; Y96-L99 PolarHBondContact O-N 2.96Å; L97-L99 PolarHBondContact O-N 3.43Å; L99-I101 PolarHBondContact O-N 2.83Å; L99-A102 PolarHBondContact O-N 3.08Å; L99-N103 WeakPolarHBondContact O-CB 3.49Å; L99-N103 PolarHBondContact O-N 3.31Å
100R94.1Very high91.9Very high144 Ų144105.5 Ų105.554%0.54352%0.521SS..Hα-helixtrans-64.1-40.9179.5-163.9177.6-160.5-164.85.7111.9Y96 L97 A98 K104Y96-R100 WeakPolarHBondContact O-CB 3.47Å; Y96-R100 PolarHBondContact O-N 2.96Å; L97-R100 PolarHBondContact O-N 3.46Å; A98-R100 VanDerWaalsContact C-N 3.35Å; A98-R100 PolarHBondContact O-N 3.23Å; R100-K104 WeakPolarHBondContact O-CB 3.47Å; R100-K104 WeakPolarHBondContact O-CG 3.33Å; R100-K104 PolarHBondContact O-N 3.42Å
101I92.7Very high92Very high90 Ų90102.7 Ų102.746%0.46251%0.513SS..Hα-helixtrans-65.9-44.5176.3-69.8165000110.3L97 A98 L99 N103 K104 R105L97-I101 WeakPolarHBondContact O-CB 3.46Å; L97-I101 VanDerWaalsContact O-CG1 3.23Å; L97-I101 WeakPolarHBondContact O-CG1 3.35Å; L97-I101 PolarHBondContact O-N 2.97Å; A98-I101 PolarHBondContact O-N 3Å; L99-I101 PolarHBondContact O-N 2.83Å; I101-N103 PolarHBondContact O-N 3.43Å; I101-K104 PolarHBondContact O-N 2.88Å; I101-R105 HydrophobicContact CG2-CG 4.48Å; I101-R105 WeakPolarHBondContact O-CG 3.41Å; I101-R105 PolarHBondContact O-N 3.26Å
102A92.9Very high92.1Very high59 Ų59100.4 Ų100.449%0.48851%0.512SS..Hα-helixtrans-60.3-46177.400000111.7A98 L99 K104 R105 H106A98-A102 WeakPolarHBondContact O-CB 3.39Å; A98-A102 PolarHBondContact O-N 3.25Å; L99-A102 PolarHBondContact O-N 3.08Å; A102-K104 PolarHBondContact O-N 3.44Å; A102-R105 PolarHBondContact O-N 3.29Å; A102-H106 PolarHBondContact O-N 3.02Å
103N92Very high92.5Very high103 Ų10399.8 Ų99.855%0.55152%0.515SS*.Hα-helixtrans-62.7-44.1177.5-164.27.9000111.4L99 I101 R105 H106 S107L99-N103 WeakPolarHBondContact O-CB 3.49Å; L99-N103 PolarHBondContact O-N 3.31Å; I101-N103 PolarHBondContact O-N 3.43Å; N103-R105 VanDerWaalsContact C-N 3.34Å; N103-R105 PolarHBondContact O-N 3.41Å; N103-H106 WeakPolarHBondContact O-CB 3.33Å; N103-H106 PolarHBondContact O-N 3.08Å; N103-S107 PolarHBondContact O-N 3.08Å; N103-S107 PolarHBondContact O-OG 3.39Å
104K96.1Very high92.4Very high140 Ų140100.8 Ų100.861%0.60952%0.517SS*.Hα-helixtrans-60.7-40.5174.7-77.9-169.1173.7-156.60113R100 I101 A102 H106 S107 L108R100-K104 WeakPolarHBondContact O-CB 3.47Å; R100-K104 WeakPolarHBondContact O-CG 3.33Å; R100-K104 PolarHBondContact O-N 3.42Å; I101-K104 PolarHBondContact O-N 2.88Å; A102-K104 PolarHBondContact O-N 3.44Å; K104-H106 VanDerWaalsContact C-N 3.34Å; K104-S107 PolarHBondContact O-N 2.92Å; K104-L108 WeakPolarHBondContact O-CB 3.46Å; K104-L108 PolarHBondContact O-N 3.12Å
105R93.6Very high92.3Very high184 Ų184102.5 Ų102.569%0.69452%0.522SS*.Hα-helixtrans-63.4-40.8175.6-76.5179.7174.6-179.2-1.9111.5I101 A102 N103 L108 A109I101-R105 HydrophobicContact CG2-CG 4.48Å; I101-R105 WeakPolarHBondContact O-CG 3.41Å; I101-R105 PolarHBondContact O-N 3.26Å; A102-R105 PolarHBondContact O-N 3.29Å; N103-R105 VanDerWaalsContact C-N 3.34Å; N103-R105 PolarHBondContact O-N 3.41Å; R105-L108 PolarHBondContact O-N 2.89Å; R105-A109 WeakPolarHBondContact O-CB 3.43Å; R105-A109 PolarHBondContact O-N 3.49Å
106H93.5Very high92.1Very high124 Ų12498.2 Ų98.257%0.57452%0.517SS*.Hα-helixtrans-63.8-50.4175.2-179.364.8000111.7A102 N103 K104 L108 A109 T110A102-H106 PolarHBondContact O-N 3.02Å; N103-H106 WeakPolarHBondContact O-CB 3.33Å; N103-H106 PolarHBondContact O-N 3.08Å; K104-H106 VanDerWaalsContact C-N 3.34Å; H106-L108 VanDerWaalsContact C-N 3.28Å; H106-L108 PolarHBondContact O-N 3.27Å; H106-A109 WeakPolarHBondContact O-CB 3.5Å; H106-A109 PolarHBondContact O-N 3.36Å; H106-A109 VanDerWaalsContact O-N 3.09Å; H106-T110 PolarHBondContact O-N 2.99Å; H106-T110 PolarHBondContact O-OG1 3.42Å
107S92.6Very high91.9Very high66 Ų6699.2 Ų99.246%0.46252%0.519SS..Hα-helixtrans-58.9-38.7176.8-54.80000112.7N103 K104 T110 A111N103-S107 PolarHBondContact O-N 3.08Å; N103-S107 PolarHBondContact O-OG 3.39Å; K104-S107 PolarHBondContact O-N 2.92Å; S107-T110 PolarHBondContact O-N 3.23Å; S107-A111 WeakPolarHBondContact O-CB 3.5Å; S107-A111 PolarHBondContact O-N 3.44Å
108L92.1Very high91.6Very high103 Ų10399.5 Ų99.554%0.53952%0.521SS..Hα-helixtrans-65.7-41.5175.6-179.562000111.8K104 R105 H106 A111 N112K104-L108 WeakPolarHBondContact O-CB 3.46Å; K104-L108 PolarHBondContact O-N 3.12Å; R105-L108 PolarHBondContact O-N 2.89Å; H106-L108 VanDerWaalsContact C-N 3.28Å; H106-L108 PolarHBondContact O-N 3.27Å; L108-A111 PolarHBondContact O-N 3.03Å; L108-N112 WeakPolarHBondContact O-CB 3.35Å; L108-N112 PolarHBondContact O-N 3.04Å
109A91.5Very high91.4Very high56 Ų5699 Ų9946%0.46352%0.517SS..Hα-helixtrans-61.9-45.1176.100000111.6R105 H106 A111 N112 Q113R105-A109 WeakPolarHBondContact O-CB 3.43Å; R105-A109 PolarHBondContact O-N 3.49Å; H106-A109 WeakPolarHBondContact O-CB 3.5Å; H106-A109 PolarHBondContact O-N 3.36Å; H106-A109 VanDerWaalsContact O-N 3.09Å; A109-A111 PolarHBondContact O-N 2.98Å; A109-N112 PolarHBondContact O-N 3.37Å; A109-Q113 PolarHBondContact O-N 3.36Å
110T90.7Very high91.3Very high47 Ų4798.9 Ų98.929%0.28852%0.516SS..Hα-helixtrans-59.9-45.7174.7-52.70000111.5H106 S107 N112 Q113 H114H106-T110 PolarHBondContact O-N 2.99Å; H106-T110 PolarHBondContact O-OG1 3.42Å; S107-T110 PolarHBondContact O-N 3.23Å; T110-N112 VanDerWaalsContact C-N 3.35Å; T110-N112 PolarHBondContact O-N 3.41Å; T110-Q113 WeakPolarHBondContact O-CB 3.26Å; T110-Q113 PolarHBondContact O-N 2.96Å; T110-H114 PolarHBondContact O-CD2 3.36Å; T110-H114 PolarHBondContact O-N 2.97Å
111A91.7Very high90.8Very high47 Ų4796.5 Ų96.539%0.38851%0.511SS..Hα-helixtrans-60.2-43.1176.500000112.1S107 L108 A109 Q113 H114 V115S107-A111 WeakPolarHBondContact O-CB 3.5Å; S107-A111 PolarHBondContact O-N 3.44Å; L108-A111 PolarHBondContact O-N 3.03Å; A109-A111 PolarHBondContact O-N 2.98Å; A111-Q113 VanDerWaalsContact C-N 3.33Å; A111-Q113 PolarHBondContact O-N 3.44Å; A111-H114 PolarHBondContact O-N 3.37Å; A111-V115 WeakPolarHBondContact O-CG2 3.38Å; A111-V115 PolarHBondContact O-N 2.92Å
112N91.1Very high90.3Very high97 Ų9796.1 Ų96.152%0.51951%0.507SS..Hα-helixtrans-64.4-36.4176.1-74.6-16.3000112.4L108 A109 T110 V115 A116L108-N112 WeakPolarHBondContact O-CB 3.35Å; L108-N112 PolarHBondContact O-N 3.04Å; A109-N112 PolarHBondContact O-N 3.37Å; T110-N112 VanDerWaalsContact C-N 3.35Å; T110-N112 PolarHBondContact O-N 3.41Å; N112-V115 PolarHBondContact O-N 3.29Å; N112-A116 WeakPolarHBondContact O-CB 3.48Å; N112-A116 PolarHBondContact O-N 2.91Å
113Q92Very high90.1Very high131 Ų131100.8 Ų100.861%0.61252%0.516SS*.Hα-helixtrans-63.7-42.1173.7-173.4-178.90.400111.5A109 T110 A111 A116 R117A109-Q113 PolarHBondContact O-N 3.36Å; T110-Q113 WeakPolarHBondContact O-CB 3.26Å; T110-Q113 PolarHBondContact O-N 2.96Å; A111-Q113 VanDerWaalsContact C-N 3.33Å; A111-Q113 PolarHBondContact O-N 3.44Å; Q113-A116 PolarHBondContact O-N 2.95Å; Q113-R117 WeakPolarHBondContact O-CB 3.47Å; Q113-R117 PolarHBondContact O-N 3.21Å
114H90.1Very high89.9Confident108 Ų108100.5 Ų100.550%0.551%0.514SS..Hα-helixtrans-62.6-41.5173.6-72.4-67.3000112.3T110 A111 R117 N118T110-H114 PolarHBondContact O-CD2 3.36Å; T110-H114 PolarHBondContact O-N 2.97Å; A111-H114 PolarHBondContact O-N 3.37Å; H114-R117 PolarHBondContact O-N 2.93Å; H114-N118 WeakPolarHBondContact O-CB 3.41Å; H114-N118 PolarHBondContact O-N 3.47Å; H114-N118 PolarHBondContact O-OD1 3.47Å
115V88.6Confident89.5Confident93 Ų9398.9 Ų98.956%0.56451%0.512SS*.Hα-helixtrans-61.9-44175.4171.50000111.2A111 N112 N118 A119A111-V115 WeakPolarHBondContact O-CG2 3.38Å; A111-V115 PolarHBondContact O-N 2.92Å; N112-V115 PolarHBondContact O-N 3.29Å; V115-N118 PolarHBondContact O-N 3.36Å; V115-A119 WeakPolarHBondContact O-CB 3.39Å; V115-A119 PolarHBondContact O-N 3.04Å
116A88.3Confident88.9Confident53 Ų5396 Ų9644%0.43850%0.501SS..Hα-helixtrans-63-43.317700000112N112 Q113 A119 I120N112-A116 WeakPolarHBondContact O-CB 3.48Å; N112-A116 PolarHBondContact O-N 2.91Å; Q113-A116 PolarHBondContact O-N 2.95Å; A116-A119 PolarHBondContact O-N 3.39Å; A116-I120 WeakPolarHBondContact O-CG1 3.34Å; A116-I120 PolarHBondContact O-N 3.32Å
117R88.5Confident88.3Confident173 Ų17392.7 Ų92.765%0.65349%0.491SS*.Hα-helixtrans-60-48.7174.4-179.5178.8173.8153.42111.4Q113 H114 A119 I120 E121Q113-R117 WeakPolarHBondContact O-CB 3.47Å; Q113-R117 PolarHBondContact O-N 3.21Å; H114-R117 PolarHBondContact O-N 2.93Å; R117-A119 VanDerWaalsContact C-N 3.27Å; R117-A119 PolarHBondContact O-N 2.85Å; R117-I120 PolarHBondContact O-N 3.08Å; R117-I120 VanDerWaalsContact O-N 3.12Å; R117-E121 WeakPolarHBondContact O-CB 3.33Å; R117-E121 PolarHBondContact O-N 3.37Å
118N85.6Confident87.9Confident95 Ų9596.5 Ų96.551%0.50850%0.496SS..Hα-helixtrans-61.8-36.3178.9-70.54.2000111.6H114 V115 E121 E122H114-N118 WeakPolarHBondContact O-CB 3.41Å; H114-N118 PolarHBondContact O-N 3.47Å; H114-N118 PolarHBondContact O-OD1 3.47Å; V115-N118 PolarHBondContact O-N 3.36Å; N118-E121 PolarHBondContact O-N 2.78Å; N118-E122 VanDerWaalsContact O-CB 3.32Å; N118-E122 WeakPolarHBondContact O-CB 3.36Å; N118-E122 PolarHBondContact O-N 2.86Å
119A89.7Confident87.1Confident44 Ų4497.1 Ų97.136%0.36450%0.499SS..Hα-helixtrans-67.5-35.6175.600000112.7V115 A116 R117 K123V115-A119 WeakPolarHBondContact O-CB 3.39Å; V115-A119 PolarHBondContact O-N 3.04Å; A116-A119 PolarHBondContact O-N 3.39Å; R117-A119 VanDerWaalsContact C-N 3.27Å; R117-A119 PolarHBondContact O-N 2.85Å; A119-K123 WeakPolarHBondContact O-CG 3.48Å; A119-K123 PolarHBondContact O-N 3.2Å; A119-K123 VanDerWaalsContact O-N 3.14Å
120I89.3Confident86.3Confident120 Ų12097.4 Ų97.462%0.61550%0.497SS*.Hα-helixtrans-69-45.6173.5-67.4162000110.2A116 R117 E122 K123 L124A116-I120 WeakPolarHBondContact O-CG1 3.34Å; A116-I120 PolarHBondContact O-N 3.32Å; R117-I120 PolarHBondContact O-N 3.08Å; R117-I120 VanDerWaalsContact O-N 3.12Å; I120-E122 VanDerWaalsContact C-N 3.32Å; I120-E122 PolarHBondContact O-N 2.95Å; I120-K123 PolarHBondContact O-N 3.19Å; I120-L124 PolarHBondContact O-N 2.92Å
121E84.5Confident85.4Confident93 Ų9399.5 Ų99.544%0.43550%0.504SS..Hα-helixtrans-61.4-41.3177.1-171.9172.8179.700111.3R117 N118 K123 L124 L125R117-E121 WeakPolarHBondContact O-CB 3.33Å; R117-E121 PolarHBondContact O-N 3.37Å; N118-E121 PolarHBondContact O-N 2.78Å; E121-K123 PolarHBondContact O-N 2.86Å; E121-L124 WeakPolarHBondContact O-CB 3.28Å; E121-L124 PolarHBondContact O-N 3.3Å; E121-L125 HydrophobicContact CG-CD1 4.18Å; E121-L125 HydrophobicContact CG-CG 4.46Å; E121-L125 WeakPolarHBondContact O-CB 3.31Å; E121-L125 VanDerWaalsContact O-CG 3.26Å; E121-L125 WeakPolarHBondContact O-CG 3.45Å; E121-L125 PolarHBondContact O-N 3.31Å
122E81.3Confident84Confident82 Ų82102 Ų10238%0.38351%0.511SS..Hα-helixtrans-59.1-47173.3-171.8-167.8160.500111.5N118 I120 L124 L125 R126N118-E122 VanDerWaalsContact O-CB 3.32Å; N118-E122 WeakPolarHBondContact O-CB 3.36Å; N118-E122 PolarHBondContact O-N 2.86Å; I120-E122 VanDerWaalsContact C-N 3.32Å; I120-E122 PolarHBondContact O-N 2.95Å; E122-L124 VanDerWaalsContact C-N 3.32Å; E122-L124 PolarHBondContact O-N 3.5Å; E122-L125 PolarHBondContact O-N 3.38Å; E122-R126 WeakPolarHBondContact O-CB 3.26Å; E122-R126 WeakPolarHBondContact O-CG 3.33Å; E122-R126 PolarHBondContact O-N 3.18Å; E122-R126 IonicContact OE1-CZ 3.96Å; E122-R126 VanDerWaalsContact OE1-CZ 3.25Å; E122-R126 IonicContact OE1-NE 3.7Å; E122-R126 PolarHBondContact OE1-NE 3.35Å; E122-R126 IonicContact OE1-NH2 3.37Å; E122-R126 PolarHBondContact OE1-NH2 3.46Å
123K88.7Confident82.4Confident158 Ų158102.9 Ų102.969%0.68752%0.515SS*.Hα-helixtrans-60.8-41.8176.4-75.6178179.8-177.50111.8A119 I120 E121 R126 S127A119-K123 WeakPolarHBondContact O-CG 3.48Å; A119-K123 PolarHBondContact O-N 3.2Å; A119-K123 VanDerWaalsContact O-N 3.14Å; I120-K123 PolarHBondContact O-N 3.19Å; E121-K123 PolarHBondContact O-N 2.86Å; K123-R126 PolarHBondContact O-N 3.15Å; K123-S127 WeakPolarHBondContact O-CB 3.42Å; K123-S127 PolarHBondContact O-N 3.43Å
124L88.4Confident80.6Confident96 Ų96102.3 Ų102.350%0.50352%0.515SS..Hα-helixtrans-63.3-47.1177.1179.465.1000111.2I120 E121 E122 R126 S127 R128I120-L124 PolarHBondContact O-N 2.92Å; E121-L124 WeakPolarHBondContact O-CB 3.28Å; E121-L124 PolarHBondContact O-N 3.3Å; E122-L124 VanDerWaalsContact C-N 3.32Å; E122-L124 PolarHBondContact O-N 3.5Å; L124-R126 VanDerWaalsContact C-N 3.34Å; L124-R126 PolarHBondContact O-N 2.83Å; L124-S127 WeakPolarHBondContact O-CB 3.33Å; L124-S127 PolarHBondContact O-N 3.47Å; L124-R128 HydrophobicContact CD1-CG 4.37Å; L124-R128 WeakPolarHBondContact O-CG 3.44Å; L124-R128 PolarHBondContact O-N 2.87Å
125L87.2Confident78.7Confident106 Ų106101.4 Ų101.456%0.55551%0.514SS*.Hα-helixtrans-62.6-41.3178.4-70.6172.8000111.4E121 E122 R128 L129E121-L125 HydrophobicContact CG-CD1 4.18Å; E121-L125 HydrophobicContact CG-CG 4.46Å; E121-L125 WeakPolarHBondContact O-CB 3.31Å; E121-L125 VanDerWaalsContact O-CG 3.26Å; E121-L125 WeakPolarHBondContact O-CG 3.45Å; E121-L125 PolarHBondContact O-N 3.31Å; E122-L125 PolarHBondContact O-N 3.38Å; L125-R128 PolarHBondContact O-N 3.02Å; L125-L129 VanDerWaalsContact O-CB 3.25Å; L125-L129 WeakPolarHBondContact O-CB 3.08Å; L125-L129 PolarHBondContact O-N 2.83Å
126R81.1Confident76.7Confident125 Ų125104.4 Ų104.447%0.47252%0.516SS..Hα-helixtrans-62.8-40.9173.6-72.1-179.8-175.8-87.52.2111.9E122 K123 L124 L129 S130E122-R126 WeakPolarHBondContact O-CB 3.26Å; E122-R126 WeakPolarHBondContact O-CG 3.33Å; E122-R126 PolarHBondContact O-N 3.18Å; E122-R126 IonicContact OE1-CZ 3.96Å; E122-R126 VanDerWaalsContact OE1-CZ 3.25Å; E122-R126 IonicContact OE1-NE 3.7Å; E122-R126 PolarHBondContact OE1-NE 3.35Å; E122-R126 IonicContact OE1-NH2 3.37Å; E122-R126 PolarHBondContact OE1-NH2 3.46Å; K123-R126 PolarHBondContact O-N 3.15Å; L124-R126 VanDerWaalsContact C-N 3.34Å; L124-R126 PolarHBondContact O-N 2.83Å; R126-L129 PolarHBondContact O-N 3.42Å; R126-S130 WeakPolarHBondContact O-CB 3.39Å; R126-S130 PolarHBondContact O-N 2.9Å
127S81.1Confident74.7Confident53 Ų53110 Ų11037%0.37153%0.533SS..Hα-helixtrans-61.6-51.2174.7-166.80000111.4K123 L124 L129 S130 E131K123-S127 WeakPolarHBondContact O-CB 3.42Å; K123-S127 PolarHBondContact O-N 3.43Å; L124-S127 WeakPolarHBondContact O-CB 3.33Å; L124-S127 PolarHBondContact O-N 3.47Å; S127-L129 VanDerWaalsContact C-N 3.31Å; S127-L129 PolarHBondContact O-N 2.89Å; S127-S130 CarbonylContact O-C 3.58Å; S127-S130 WeakPolarHBondContact O-CA 3.45Å; S127-S130 WeakPolarHBondContact O-CB 3.38Å; S127-S130 PolarHBondContact O-N 3.31Å; S127-S130 PolarHBondContact O-OG 3.47Å; S127-E131 PolarHBondContact O-N 3.24Å
128R83.8Confident72.6Confident146 Ų146110.9 Ų110.955%0.55154%0.538SS*.Hα-helixtrans-61.5-39.6178.8-68.9-62.6-168.91564112.3L124 L125 S130 E131 L132L124-R128 HydrophobicContact CD1-CG 4.37Å; L124-R128 WeakPolarHBondContact O-CG 3.44Å; L124-R128 PolarHBondContact O-N 2.87Å; L125-R128 PolarHBondContact O-N 3.02Å; R128-S130 VanDerWaalsContact C-N 3.29Å; R128-S130 PolarHBondContact O-N 2.94Å; R128-E131 IonicContact NH1-OE2 3.23Å; R128-E131 PolarHBondContact O-N 3.39Å; R128-L132 WeakPolarHBondContact O-CG 3.35Å; R128-L132 PolarHBondContact O-N 3.44Å
129L75.6Confident70.5Confident117 Ų117113.1 Ų113.161%0.61354%0.544SS*.Hα-helixtrans-64.3-37.1175-171.663.7000111.3L125 R126 S127 N133L125-L129 VanDerWaalsContact O-CB 3.25Å; L125-L129 WeakPolarHBondContact O-CB 3.08Å; L125-L129 PolarHBondContact O-N 2.83Å; R126-L129 PolarHBondContact O-N 3.42Å; S127-L129 VanDerWaalsContact C-N 3.31Å; S127-L129 PolarHBondContact O-N 2.89Å; L129-N133 PolarHBondContact O-N 2.97Å; L129-N133 VanDerWaalsContact O-N 3.12Å
130S75.3Confident68.2Low61 Ų61119.3 Ų119.343%0.42757%0.566SS.*Hα-helixtrans-71.1-33175.275.70000113.6R126 S127 R128 N133R126-S130 WeakPolarHBondContact O-CB 3.39Å; R126-S130 PolarHBondContact O-N 2.9Å; S127-S130 CarbonylContact O-C 3.58Å; S127-S130 WeakPolarHBondContact O-CA 3.45Å; S127-S130 WeakPolarHBondContact O-CB 3.38Å; S127-S130 PolarHBondContact O-N 3.31Å; S127-S130 PolarHBondContact O-OG 3.47Å; R128-S130 VanDerWaalsContact C-N 3.29Å; R128-S130 PolarHBondContact O-N 2.94Å; S130-N133 WeakPolarHBondContact O-CB 3.34Å; S130-N133 PolarHBondContact O-N 2.98Å
131E72.2Confident65.8Low91 Ų91121.1 Ų121.143%0.42557%0.571SS.*Hα-helixtrans-66.5-47.1173.1-75.3165.5-150.200111.2S127 R128 N133 I134 D135S127-E131 PolarHBondContact O-N 3.24Å; R128-E131 IonicContact NH1-OE2 3.23Å; R128-E131 PolarHBondContact O-N 3.39Å; E131-N133 PolarHBondContact O-N 3.24Å; E131-I134 PolarHBondContact O-N 3.44Å; E131-D135 PolarHBondContact O-N 3.01Å; E131-D135 VanDerWaalsContact O-N 3.13Å
132L61Low63.6Low101 Ų101124.2 Ų124.253%0.52959%0.585SS.*Hα-helixtrans-61.1-30.3175.9-70.9173.3000112.2R128 I134R128-L132 WeakPolarHBondContact O-CG 3.35Å; R128-L132 PolarHBondContact O-N 3.44Å; L132-I134 PolarHBondContact O-N 3.03Å
133N59.2Low61.5Low114 Ų114127.2 Ų127.261%0.6160%0.604SS**Hα-helixtrans-66.2-23.9175-170.948.9000113.1L129 S130 E131L129-N133 PolarHBondContact O-N 2.97Å; L129-N133 VanDerWaalsContact O-N 3.12Å; S130-N133 WeakPolarHBondContact O-CB 3.34Å; S130-N133 PolarHBondContact O-N 2.98Å; E131-N133 PolarHBondContact O-N 3.24Å
134I53.6Low59.2Low119 Ų119125.2 Ų125.261%0.6160%0.601SS**Hα-helixtrans-90.6-39.7178.3-58165.5000110.6E131 L132 Y136 H137E131-I134 PolarHBondContact O-N 3.44Å; L132-I134 PolarHBondContact O-N 3.03Å; I134-Y136 VanDerWaalsContact C-N 3.3Å; I134-Y136 PolarHBondContact O-N 3.4Å; I134-H137 PolarHBondContact O-N 2.91Å; I134-H137 VanDerWaalsContact O-N 3.16Å
135D48.8Very low57Low90 Ų90128.8 Ų128.848%0.48162%0.615SS.*Hα-helixtrans-70.4-25-168-14924.5000113.7E131 H137 Y138 H139E131-D135 PolarHBondContact O-N 3.01Å; E131-D135 VanDerWaalsContact O-N 3.13Å; D135-H137 PolarHBondContact O-N 3.21Å; D135-H137 VanDerWaalsContact O-N 3.17Å; D135-Y138 PolarHBondContact O-N 3.39Å; D135-H139 PolarHBondContact O-N 3.3Å; D135-H139 IonicContact OD1-CD2 3.52Å; D135-H139 PolarHBondContact OD1-CD2 3.09Å; D135-H139 IonicContact OD1-NE2 3.97Å
136Y47.2Very low54.7Low155 Ų155131.4 Ų131.461%0.60863%0.628SS**THydrogen-bonded Turntrans-65.6-15.9175-94.9-84000114.1I134I134-Y136 VanDerWaalsContact C-N 3.3Å; I134-Y136 PolarHBondContact O-N 3.4Å
137H47.7Very low52.9Low171 Ų171127.9 Ų127.979%0.79262%0.62SS**THydrogen-bonded Turntrans-85-10.3178.1-13368.7000114.2I134 D135I134-H137 PolarHBondContact O-N 2.91Å; I134-H137 VanDerWaalsContact O-N 3.16Å; D135-H137 PolarHBondContact O-N 3.21Å; D135-H137 VanDerWaalsContact O-N 3.17Å
138Y43.9Very low50.9Low192 Ų192129.3 Ų129.375%0.75362%0.624SS**THydrogen-bonded Turntrans-118.9-15.6-177.5-83.8-82.3000115.7D135D135-Y138 PolarHBondContact O-N 3.39Å
139H41.8Very low48.8Very low141 Ų141126.9 Ų126.965%0.65363%0.629SS**  trans-114.554.1-176.7-69.9-58.7000113.6D135 H141D135-H139 PolarHBondContact O-N 3.3Å; D135-H139 IonicContact OD1-CD2 3.52Å; D135-H139 PolarHBondContact OD1-CD2 3.09Å; D135-H139 IonicContact OD1-NE2 3.97Å; H139-H141 VanDerWaalsContact C-N 3.3Å; H139-H141 PolarHBondContact O-N 3.3Å
140H39.8Very low47Very low174 Ų174130.2 Ų130.281%0.80663%0.634SS**  trans-84.674.2163.8-135.848.5000108.8
141H39.8Very low45.2Very low159 Ų159129.9 Ų129.974%0.73663%0.627SS**SBendtrans176.4124.7155.5-94.3-58.8000109.5H139H139-H141 VanDerWaalsContact C-N 3.3Å; H139-H141 PolarHBondContact O-N 3.3Å
142H38.4Very low43.8Very low158 Ų158130.5 Ų130.573%0.73164%0.642SS**SBendtrans84.979.9169.4-46.1-65.3000117.1
143N37.8Very low42.6Very low145 Ų145130.9 Ų130.978%0.77564%0.639SS**  trans-175.961.5136.9-87.7-25.8000111.3H145N143-H145 VanDerWaalsContact C-N 3.32Å; N143-H145 PolarHBondContact O-N 3.06Å; N143-H145 VanDerWaalsContact O-N 3.13Å
144D39.2Very low41.7Very low115 Ų115129.2 Ų129.262%0.61563%0.63SS**THydrogen-bonded Turntrans-83.329-169.3-66.5-41.5000116.3N148D144-N148 PolarHBondContact O-ND2 3.44Å
145H43.2Very low41Very low172 Ų172129 Ų12980%0.79664%0.64SS**THydrogen-bonded Turntrans-117.5-23.9-178.1-117.1-59.4000117N143N143-H145 VanDerWaalsContact C-N 3.32Å; N143-H145 PolarHBondContact O-N 3.06Å; N143-H145 VanDerWaalsContact O-N 3.13Å
146L38.8Very low40.6Very low160 Ų160132.5 Ų132.584%0.83866%0.655SS**THydrogen-bonded Turntrans-98.3-22.9172-78.4169.9000113N148L146-N148 VanDerWaalsContact C-N 3.31Å; L146-N148 PolarHBondContact O-N 3.04Å
147V42.8Very low40.4Very low51 Ų51133.6 Ų133.631%0.30967%0.666SS.*THydrogen-bonded Turntrans-81-11.9-177.8-165.60000111.9S149 W150 N151V147-S149 PolarHBondContact O-N 3.17Å; V147-S149 VanDerWaalsContact O-N 3.16Å; V147-W150 HydrophobicContact CG1-CB 4.36Å; V147-W150 CarbonylContact O-C 3.44Å; V147-W150 WeakPolarHBondContact O-CA 3.48Å; V147-W150 PolarHBondContact O-N 2.97Å; V147-N151 PolarHBondContact O-N 2.79Å
148N39.5Very low40.5Very low83 Ų83128.1 Ų128.144%0.44464%0.642SS.*Hα-helixtrans-63.7-25.9179.7-70.4-17.1000114.1D144 L146 W150 N151D144-N148 PolarHBondContact O-ND2 3.44Å; L146-N148 VanDerWaalsContact C-N 3.31Å; L146-N148 PolarHBondContact O-N 3.04Å; N148-W150 VanDerWaalsContact C-N 3.26Å; N148-W150 PolarHBondContact O-N 3.01Å; N148-N151 PolarHBondContact OD1-ND2 3.21Å
149S40.3Very low40.7Very low95 Ų95124 Ų12466%0.66463%0.633SS**Hα-helixtrans-70.8-25.2171.8-167.90000112.6V147V147-S149 PolarHBondContact O-N 3.17Å; V147-S149 VanDerWaalsContact O-N 3.16Å
150W36.3Very low41Very low187 Ų187123.1 Ų123.171%0.70863%0.625SS**Hα-helixtrans-95.1-24.9176.5-7178.4000112V147 N148 S152 F153V147-W150 HydrophobicContact CG1-CB 4.36Å; V147-W150 CarbonylContact O-C 3.44Å; V147-W150 WeakPolarHBondContact O-CA 3.48Å; V147-W150 PolarHBondContact O-N 2.97Å; N148-W150 VanDerWaalsContact C-N 3.26Å; N148-W150 PolarHBondContact O-N 3.01Å; W150-S152 PolarHBondContact O-N 3.41Å; W150-F153 WeakPolarHBondContact O-CA 3.39Å; W150-F153 VanDerWaalsContact O-CB 3.23Å; W150-F153 WeakPolarHBondContact O-CB 3.35Å; W150-F153 PolarHBondContact O-N 2.93Å
151N39Very low41.7Very low54 Ų54116.7 Ų116.729%0.28961%0.605SS.*Hα-helixtrans-68-18.9176.2-73-26.7000112.7V147 N148 F153 N154V147-N151 PolarHBondContact O-N 2.79Å; N148-N151 PolarHBondContact OD1-ND2 3.21Å; N151-F153 PolarHBondContact O-N 3.45Å; N151-N154 WeakPolarHBondContact O-CB 3.45Å; N151-N154 PolarHBondContact O-N 3.25Å; N151-N154 PolarHBondContact OD1-ND2 3.46Å
152S41.1Very low42.9Very low104 Ų104111.8 Ų111.873%0.72759%0.586SS**Hα-helixtrans-64.1-19167.2-156.70000112.2W150W150-S152 PolarHBondContact O-N 3.41Å
153F35.9Very low44.2Very low109 Ų109108.8 Ų108.848%0.47858%0.575SS.*Hα-helixtrans-85.1-19.8167.7-67.2-89.2000113.1W150 N151 S155 M156 H300W150-F153 WeakPolarHBondContact O-CA 3.39Å; W150-F153 VanDerWaalsContact O-CB 3.23Å; W150-F153 WeakPolarHBondContact O-CB 3.35Å; W150-F153 PolarHBondContact O-N 2.93Å; N151-F153 PolarHBondContact O-N 3.45Å; F153-S155 VanDerWaalsContact C-N 3.26Å; F153-S155 PolarHBondContact O-N 2.84Å; F153-M156 PolarHBondContact O-N 2.93Å; F153-H300 AromaticContact CE1-CD2 3.93Å; F153-H300 AromaticContact CE1-NE2 3.28Å; F153-H300 VanDerWaalsContact CE1-NE2 3.28Å; F153-H300 WeakPolarHBondContact CE1-NE2 3.38Å; F153-H300 AromaticContact CZ-NE2 3.84Å
154N41.4Very low45.7Very low79 Ų79105.5 Ų105.542%0.42256%0.56SS.*Hα-helixtrans-76.3-8.1-177.4-75.2-9.3000114.3N151 M156 I158N151-N154 WeakPolarHBondContact O-CB 3.45Å; N151-N154 PolarHBondContact O-N 3.25Å; N151-N154 PolarHBondContact OD1-ND2 3.46Å; N154-M156 PolarHBondContact O-N 2.85Å; N154-I158 WeakPolarHBondContact OD1-CD1 3.41Å
155S38.1Very low47.3Very low115 Ų115104.7 Ų104.780%0.80456%0.555SS**THydrogen-bonded Turntrans-70.9-13.8170.3-176.50000112.8F153F153-S155 VanDerWaalsContact C-N 3.26Å; F153-S155 PolarHBondContact O-N 2.84Å
156M41.7Very low48.8Very low163 Ų163104.2 Ų104.280%0.80355%0.546SS*.SBendtrans-119.499.9174.4-156.7159.6-148.600107F153 N154 I158F153-M156 PolarHBondContact O-N 2.93Å; N154-M156 PolarHBondContact O-N 2.85Å; M156-I158 PolarHBondContact O-N 3.01Å
157E41.6Very low50.6Low178 Ų178102.2 Ų102.283%0.83253%0.531SS*.  trans-3.598.1163.6-114.9172.3-179.800111.6N159E157-N159 PolarHBondContact O-N 3.21Å
158I50.1Low52.2Low57 Ų57102.5 Ų102.529%0.29253%0.531SS..  trans-65.791.2175.7-64170.5000105.7N154 M156 Y160 I163N154-I158 WeakPolarHBondContact OD1-CD1 3.41Å; M156-I158 PolarHBondContact O-N 3.01Å; I158-Y160 HydrophobicContact CB-CD2 4.37Å; I158-Y160 HydrophobicContact CB-CE2 4.01Å; I158-Y160 HydrophobicContact CG2-CD1 3.71Å; I158-Y160 HydrophobicContact CG2-CD2 3.92Å; I158-Y160 HydrophobicContact CG2-CE1 3.63Å; I158-Y160 HydrophobicContact CG2-CE2 3.84Å; I158-Y160 HydrophobicContact CG2-CG 3.85Å; I158-Y160 WeakPolarHBondContact O-CD2 3.39Å; I158-Y160 PolarHBondContact O-N 3.43Å; I158-I163 HydrophobicContact CG2-CD1 3.53Å; I158-I163 HydrophobicContact CG2-CG1 4.47Å
159N48.4Very low54Low106 Ų106107.4 Ų107.457%0.56754%0.543SS*.  trans-75.286.4174-156.5-41.7000104.4E157 G161 T162E157-N159 PolarHBondContact O-N 3.21Å; N159-G161 PolarHBondContact O-N 3.33Å; N159-G161 VanDerWaalsContact O-N 3.09Å; N159-T162 VanDerWaalsContact O-CA 3.31Å; N159-T162 WeakPolarHBondContact O-CA 3.44Å; N159-T162 WeakPolarHBondContact O-CB 3.36Å; N159-T162 PolarHBondContact O-N 3.34Å; N159-T162 PolarHBondContact O-OG1 2.93Å
160Y48.1Very low56.1Low122 Ų122107.3 Ų107.348%0.47854%0.535SS..Hα-helixtrans-54.4-29.1-174.3-71.5-85.2000112.3I158 T162 I163 V164I158-Y160 HydrophobicContact CB-CD2 4.37Å; I158-Y160 HydrophobicContact CB-CE2 4.01Å; I158-Y160 HydrophobicContact CG2-CD1 3.71Å; I158-Y160 HydrophobicContact CG2-CD2 3.92Å; I158-Y160 HydrophobicContact CG2-CE1 3.63Å; I158-Y160 HydrophobicContact CG2-CE2 3.84Å; I158-Y160 HydrophobicContact CG2-CG 3.85Å; I158-Y160 WeakPolarHBondContact O-CD2 3.39Å; I158-Y160 PolarHBondContact O-N 3.43Å; Y160-T162 PolarHBondContact O-N 2.88Å; Y160-I163 HydrophobicContact CD1-CD1 4.46Å; Y160-I163 PolarHBondContact O-N 3.5Å; Y160-V164 PolarHBondContact O-N 3.42Å; Y160-V164 VanDerWaalsContact O-N 3.08Å
161G55.3Low58.3Low38 Ų38101.9 Ų101.939%0.39252%0.517SS..Hα-helixtrans-56-31.2169.200000113N159 N165N159-G161 PolarHBondContact O-N 3.33Å; N159-G161 VanDerWaalsContact O-N 3.09Å; G161-N165 WeakPolarHBondContact O-CB 3.39Å; G161-N165 PolarHBondContact O-N 3.04Å; G161-N165 VanDerWaalsContact O-N 3.08Å; G161-N165 PolarHBondContact O-ND2 3.2Å
162T64.3Low60.5Low57 Ų57104 Ų10435%0.3553%0.529SS..Hα-helixtrans-73.1-37.4174.4-51.90000112.4N159 Y160 R166N159-T162 VanDerWaalsContact O-CA 3.31Å; N159-T162 WeakPolarHBondContact O-CA 3.44Å; N159-T162 WeakPolarHBondContact O-CB 3.36Å; N159-T162 PolarHBondContact O-N 3.34Å; N159-T162 PolarHBondContact O-OG1 2.93Å; Y160-T162 PolarHBondContact O-N 2.88Å; T162-R166 HydrophobicContact CG2-CG 4.47Å; T162-R166 WeakPolarHBondContact O-CB 3.37Å; T162-R166 WeakPolarHBondContact O-CG 3.39Å; T162-R166 PolarHBondContact O-N 2.82Å
163I64.8Low62.7Low95 Ų95103.6 Ų103.649%0.48752%0.518SS..Hα-helixtrans-69-46.8178.8-63.6175.6000110.2I158 Y160 N165 R166 F167I158-I163 HydrophobicContact CG2-CD1 3.53Å; I158-I163 HydrophobicContact CG2-CG1 4.47Å; Y160-I163 HydrophobicContact CD1-CD1 4.46Å; Y160-I163 PolarHBondContact O-N 3.5Å; I163-N165 VanDerWaalsContact C-N 3.33Å; I163-N165 PolarHBondContact O-N 2.96Å; I163-R166 WeakPolarHBondContact O-CB 3.47Å; I163-R166 PolarHBondContact O-N 2.92Å; I163-R166 VanDerWaalsContact O-N 3.1Å; I163-F167 PolarHBondContact O-N 3.46Å
164V69.8Low65.3Low75 Ų75101.6 Ų101.646%0.45552%0.515SS..Hα-helixtrans-60-45.8176.1179.40000110.1Y160 R166 F167 D168Y160-V164 PolarHBondContact O-N 3.42Å; Y160-V164 VanDerWaalsContact O-N 3.08Å; V164-R166 VanDerWaalsContact C-N 3.29Å; V164-R166 PolarHBondContact O-N 3.36Å; V164-F167 PolarHBondContact O-N 3.36Å; V164-F167 VanDerWaalsContact O-N 3.15Å; V164-D168 PolarHBondContact O-N 3.02Å
165N72.9Confident67.5Low98 Ų98101 Ų10152%0.52451%0.511SS..Hα-helixtrans-61.2-34.7175-75.7-22.8000113.3G161 I163 R169G161-N165 WeakPolarHBondContact O-CB 3.39Å; G161-N165 PolarHBondContact O-N 3.04Å; G161-N165 VanDerWaalsContact O-N 3.08Å; G161-N165 PolarHBondContact O-ND2 3.2Å; I163-N165 VanDerWaalsContact C-N 3.33Å; I163-N165 PolarHBondContact O-N 2.96Å; N165-R169 WeakPolarHBondContact O-CB 3.27Å; N165-R169 VanDerWaalsContact O-CG 3.26Å; N165-R169 WeakPolarHBondContact O-CG 3.47Å; N165-R169 PolarHBondContact O-N 3.32Å
166R75.6Confident69.9Low162 Ų16297.9 Ų97.961%0.61149%0.492SS*.Hα-helixtrans-68.8-42.7174.5-77.1173.8-171.1-1607.6111.3T162 I163 V164 R169 L170T162-R166 HydrophobicContact CG2-CG 4.47Å; T162-R166 WeakPolarHBondContact O-CB 3.37Å; T162-R166 WeakPolarHBondContact O-CG 3.39Å; T162-R166 PolarHBondContact O-N 2.82Å; I163-R166 WeakPolarHBondContact O-CB 3.47Å; I163-R166 PolarHBondContact O-N 2.92Å; I163-R166 VanDerWaalsContact O-N 3.1Å; V164-R166 VanDerWaalsContact C-N 3.29Å; V164-R166 PolarHBondContact O-N 3.36Å; R166-R169 PolarHBondContact O-N 3.42Å; R166-L170 WeakPolarHBondContact O-CB 3.5Å; R166-L170 PolarHBondContact O-N 3.37Å
167F75.7Confident72.2Confident118 Ų11893 Ų9352%0.51847%0.472SS..Hα-helixtrans-63.4-47.1176.5-177.9-94.5000111.3I163 V164 R169 L170 H171I163-F167 PolarHBondContact O-N 3.46Å; V164-F167 PolarHBondContact O-N 3.36Å; V164-F167 VanDerWaalsContact O-N 3.15Å; F167-R169 VanDerWaalsContact C-N 3.33Å; F167-R169 PolarHBondContact O-N 3.48Å; F167-L170 PolarHBondContact O-N 2.94Å; F167-H171 WeakPolarHBondContact O-CB 3.41Å; F167-H171 PolarHBondContact O-N 2.95Å
168D77.3Confident74.4Confident57 Ų5789.1 Ų89.131%0.30546%0.456SS..Hα-helixtrans-62.9-39.9178.2-74.2-19.5000111.7V164 H171 N172V164-D168 PolarHBondContact O-N 3.02Å; D168-H171 PolarHBondContact O-N 3.21Å; D168-N172 WeakPolarHBondContact O-CB 3.23Å; D168-N172 VanDerWaalsContact O-CG 3.25Å; D168-N172 PolarHBondContact O-N 2.95Å; D168-N172 PolarHBondContact O-ND2 3.45Å; D168-N172 VanDerWaalsContact O-ND2 3.13Å
169R77.3Confident76.4Confident186 Ų18692.6 Ų92.670%0.70247%0.471SS*.Hα-helixtrans-61.7-46.6172.4-80.3179.2-178.8-158.41.5112N165 R166 F167 H171 N172 N173N165-R169 WeakPolarHBondContact O-CB 3.27Å; N165-R169 VanDerWaalsContact O-CG 3.26Å; N165-R169 WeakPolarHBondContact O-CG 3.47Å; N165-R169 PolarHBondContact O-N 3.32Å; R166-R169 PolarHBondContact O-N 3.42Å; F167-R169 VanDerWaalsContact C-N 3.33Å; F167-R169 PolarHBondContact O-N 3.48Å; R169-H171 VanDerWaalsContact C-N 3.34Å; R169-N172 PolarHBondContact O-N 3.01Å; R169-N173 WeakPolarHBondContact O-CB 3.43Å; R169-N173 PolarHBondContact O-N 3.02Å; R169-N173 PolarHBondContact O-ND2 3.39Å
170L82.7Confident78.4Confident93 Ų9391.7 Ų91.749%0.48747%0.465SS..Hα-helixtrans-61.9-43.5178.3-178.768.5000111.3R166 F167 N173 T174R166-L170 WeakPolarHBondContact O-CB 3.5Å; R166-L170 PolarHBondContact O-N 3.37Å; F167-L170 PolarHBondContact O-N 2.94Å; L170-N173 PolarHBondContact O-N 2.93Å; L170-T174 WeakPolarHBondContact O-CB 3.33Å; L170-T174 PolarHBondContact O-N 3.5Å; L170-T174 PolarHBondContact O-OG1 3.47Å
171H83.3Confident80.4Confident73 Ų7390.8 Ų90.834%0.33847%0.468SS..Hα-helixtrans-62.5-49.6178.2-178.471.6000111.5F167 D168 R169 N173 T174 I175F167-H171 WeakPolarHBondContact O-CB 3.41Å; F167-H171 PolarHBondContact O-N 2.95Å; D168-H171 PolarHBondContact O-N 3.21Å; R169-H171 VanDerWaalsContact C-N 3.34Å; H171-N173 VanDerWaalsContact C-N 3.33Å; H171-N173 PolarHBondContact O-N 3.41Å; H171-T174 WeakPolarHBondContact O-CB 3.43Å; H171-T174 PolarHBondContact O-N 3.16Å; H171-T174 VanDerWaalsContact O-N 3.08Å; H171-I175 VanDerWaalsContact NE2-CD1 3.32Å; H171-I175 WeakPolarHBondContact NE2-CD1 3.33Å; H171-I175 WeakPolarHBondContact O-CG1 3.45Å; H171-I175 PolarHBondContact O-N 2.84Å
172N85.8Confident82.1Confident99 Ų9992 Ų9253%0.52947%0.47SS..Hα-helixtrans-61.7-40.1177.6-73.2-30.9000112.3D168 R169 T174 I175 A176D168-N172 WeakPolarHBondContact O-CB 3.23Å; D168-N172 VanDerWaalsContact O-CG 3.25Å; D168-N172 PolarHBondContact O-N 2.95Å; D168-N172 PolarHBondContact O-ND2 3.45Å; D168-N172 VanDerWaalsContact O-ND2 3.13Å; R169-N172 PolarHBondContact O-N 3.01Å; N172-T174 VanDerWaalsContact C-N 3.32Å; N172-T174 PolarHBondContact O-N 3.41Å; N172-I175 PolarHBondContact O-N 3.02Å; N172-A176 PolarHBondContact O-N 3.22Å
173N87Confident83.3Confident95 Ų9593.9 Ų93.951%0.50848%0.475SS..Hα-helixtrans-63.2-40173.6-72.4-19.9000111.7R169 L170 H171 A176 V177R169-N173 WeakPolarHBondContact O-CB 3.43Å; R169-N173 PolarHBondContact O-N 3.02Å; R169-N173 PolarHBondContact O-ND2 3.39Å; L170-N173 PolarHBondContact O-N 2.93Å; H171-N173 VanDerWaalsContact C-N 3.33Å; H171-N173 PolarHBondContact O-N 3.41Å; N173-A176 PolarHBondContact O-N 3.34Å; N173-V177 WeakPolarHBondContact O-CG2 3.5Å; N173-V177 PolarHBondContact O-N 3.48Å
174T89.8Confident84.5Confident67 Ų6793.4 Ų93.441%0.41147%0.473SS..Hα-helixtrans-65.1-43177.9-56.50000111.2L170 H171 N172 A176 V177 I178L170-T174 WeakPolarHBondContact O-CB 3.33Å; L170-T174 PolarHBondContact O-N 3.5Å; L170-T174 PolarHBondContact O-OG1 3.47Å; H171-T174 WeakPolarHBondContact O-CB 3.43Å; H171-T174 PolarHBondContact O-N 3.16Å; H171-T174 VanDerWaalsContact O-N 3.08Å; N172-T174 VanDerWaalsContact C-N 3.32Å; N172-T174 PolarHBondContact O-N 3.41Å; T174-A176 VanDerWaalsContact C-N 3.34Å; T174-A176 PolarHBondContact O-N 2.91Å; T174-V177 PolarHBondContact O-N 3.37Å; T174-I178 HydrophobicContact CG2-CD1 4.02Å; T174-I178 VanDerWaalsContact O-CG1 3.32Å; T174-I178 WeakPolarHBondContact O-CG1 3.27Å; T174-I178 PolarHBondContact O-N 3.47Å
175I87.9Confident85.5Confident66 Ų6692.6 Ų92.634%0.33847%0.474SS..Hα-helixtrans-58.4-46.9173.9-69.1169.9000110.6H171 N172 V177 I178 Q179H171-I175 VanDerWaalsContact NE2-CD1 3.32Å; H171-I175 WeakPolarHBondContact NE2-CD1 3.33Å; H171-I175 WeakPolarHBondContact O-CG1 3.45Å; H171-I175 PolarHBondContact O-N 2.84Å; N172-I175 PolarHBondContact O-N 3.02Å; I175-V177 VanDerWaalsContact C-N 3.34Å; I175-V177 PolarHBondContact O-N 2.85Å; I175-I178 PolarHBondContact O-N 3.39Å; I175-Q179 HydrophobicContact CG2-CG 4.38Å; I175-Q179 WeakPolarHBondContact O-CG 3.42Å; I175-Q179 PolarHBondContact O-N 3.15Å
176A88.4Confident86.3Confident50 Ų5095.3 Ų95.341%0.41348%0.477SS..Hα-helixtrans-60.5-42.5179.100000112.1N172 N173 T174 Q179 L180N172-A176 PolarHBondContact O-N 3.22Å; N173-A176 PolarHBondContact O-N 3.34Å; T174-A176 VanDerWaalsContact C-N 3.34Å; T174-A176 PolarHBondContact O-N 2.91Å; A176-Q179 PolarHBondContact O-N 3.48Å; A176-L180 PolarHBondContact O-N 3.42Å
177V89.7Confident86.9Confident62 Ų6290.1 Ų90.138%0.37647%0.465SS..Hα-helixtrans-62.5-43.2175.3171.20000111.3N173 T174 I175 Q179 L180 L181N173-V177 WeakPolarHBondContact O-CG2 3.5Å; N173-V177 PolarHBondContact O-N 3.48Å; T174-V177 PolarHBondContact O-N 3.37Å; I175-V177 VanDerWaalsContact C-N 3.34Å; I175-V177 PolarHBondContact O-N 2.85Å; V177-Q179 VanDerWaalsContact C-N 3.34Å; V177-Q179 PolarHBondContact O-N 2.89Å; V177-L180 PolarHBondContact O-N 3.2Å; V177-L181 HydrophobicContact CG1-CD1 4.03Å; V177-L181 HydrophobicContact CG1-CG 4.43Å; V177-L181 WeakPolarHBondContact O-CG 3.38Å; V177-L181 PolarHBondContact O-N 3.4Å
178I89.2Confident87.3Confident96 Ų9689.2 Ų89.249%0.49247%0.465SS..Hα-helixtrans-63.3-41.5177.1-68.4166.8000111T174 I175 L181 C182T174-I178 HydrophobicContact CG2-CD1 4.02Å; T174-I178 VanDerWaalsContact O-CG1 3.32Å; T174-I178 WeakPolarHBondContact O-CG1 3.27Å; T174-I178 PolarHBondContact O-N 3.47Å; I175-I178 PolarHBondContact O-N 3.39Å; I178-L181 PolarHBondContact O-N 3.11Å; I178-C182 WeakPolarHBondContact O-CB 3.4Å; I178-C182 PolarHBondContact O-N 3.1Å; I178-C182 PolarHBondContact O-SG 3Å; I178-C182 VanDerWaalsContact O-SG 3.42Å
179Q90.7Very high87.6Confident129 Ų12989.5 Ų89.560%0.60348%0.475SS*.Hα-helixtrans-61.3-43.7175.8-73.5175.7-17.300111.6I175 A176 V177 C182 Q183I175-Q179 HydrophobicContact CG2-CG 4.38Å; I175-Q179 WeakPolarHBondContact O-CG 3.42Å; I175-Q179 PolarHBondContact O-N 3.15Å; A176-Q179 PolarHBondContact O-N 3.48Å; V177-Q179 VanDerWaalsContact C-N 3.34Å; V177-Q179 PolarHBondContact O-N 2.89Å; Q179-C182 WeakPolarHBondContact O-CB 3.41Å; Q179-C182 PolarHBondContact O-N 3.37Å; Q179-Q183 PolarHBondContact O-N 3.35Å
180L90.9Very high88Confident87 Ų8785.6 Ų85.646%0.45547%0.467SS..Hα-helixtrans-63.4-45176.7-172.869.3000111.7A176 V177 C182 Q183 L184 L282A176-L180 PolarHBondContact O-N 3.42Å; V177-L180 PolarHBondContact O-N 3.2Å; L180-C182 VanDerWaalsContact C-N 3.33Å; L180-C182 PolarHBondContact O-N 2.9Å; L180-Q183 PolarHBondContact O-N 2.94Å; L180-Q183 VanDerWaalsContact O-N 3.14Å; L180-L184 PolarHBondContact O-N 2.74Å; L180-L282 HydrophobicContact CD1-CD2 4.39Å
181L91Very high87.8Confident103 Ų10385 Ų8554%0.53946%0.464SS..Hα-helixtrans-61.7-40.8176-73.1172000111.9V177 I178 Q183 L184 A185V177-L181 HydrophobicContact CG1-CD1 4.03Å; V177-L181 HydrophobicContact CG1-CG 4.43Å; V177-L181 WeakPolarHBondContact O-CG 3.38Å; V177-L181 PolarHBondContact O-N 3.4Å; I178-L181 PolarHBondContact O-N 3.11Å; L181-Q183 VanDerWaalsContact C-N 3.32Å; L181-Q183 PolarHBondContact O-N 3.42Å; L181-L184 PolarHBondContact O-N 2.98Å; L181-A185 WeakPolarHBondContact O-CB 3.47Å; L181-A185 PolarHBondContact O-N 2.99Å
182C89.2Confident87.7Confident63 Ų6386.8 Ų86.843%0.42648%0.476SS..Hα-helixtrans-61.6-40.4173.4-80.80000112I178 Q179 L180 A185 R186I178-C182 WeakPolarHBondContact O-CB 3.4Å; I178-C182 PolarHBondContact O-N 3.1Å; I178-C182 PolarHBondContact O-SG 3Å; I178-C182 VanDerWaalsContact O-SG 3.42Å; Q179-C182 WeakPolarHBondContact O-CB 3.41Å; Q179-C182 PolarHBondContact O-N 3.37Å; L180-C182 VanDerWaalsContact C-N 3.33Å; L180-C182 PolarHBondContact O-N 2.9Å; C182-A185 PolarHBondContact O-N 3.34Å; C182-R186 WeakPolarHBondContact O-CG 3.41Å; C182-R186 PolarHBondContact O-N 3.41Å; C182-R186 VanDerWaalsContact O-N 3.11Å
183Q89.8Confident87.1Confident98 Ų9883.7 Ų83.746%0.45847%0.468SS..Hα-helixtrans-67.7-44.2177.2-170.561.613.100111.6Q179 L180 L181 A185 R186 C187Q179-Q183 PolarHBondContact O-N 3.35Å; L180-Q183 PolarHBondContact O-N 2.94Å; L180-Q183 VanDerWaalsContact O-N 3.14Å; L181-Q183 VanDerWaalsContact C-N 3.32Å; L181-Q183 PolarHBondContact O-N 3.42Å; Q183-A185 VanDerWaalsContact C-N 3.32Å; Q183-A185 PolarHBondContact O-N 3.31Å; Q183-R186 WeakPolarHBondContact O-CB 3.49Å; Q183-R186 PolarHBondContact O-N 3.05Å; Q183-R186 VanDerWaalsContact O-N 3.15Å; Q183-C187 PolarHBondContact O-N 2.95Å; Q183-C187 PolarHBondContact O-SG 3.22Å; Q183-C187 VanDerWaalsContact O-SG 3.4Å
184L91.4Very high86.7Confident84 Ų8484.2 Ų84.244%0.4447%0.467SS..Hα-helixtrans-59.2-43.7174.8-177.165.2000111.4L180 L181 R186 C187 L188L180-L184 PolarHBondContact O-N 2.74Å; L181-L184 PolarHBondContact O-N 2.98Å; L184-R186 VanDerWaalsContact C-N 3.3Å; L184-R186 PolarHBondContact O-N 3.03Å; L184-C187 PolarHBondContact O-N 3.42Å; L184-L188 HydrophobicContact CD1-CG 4.47Å; L184-L188 HydrophobicContact CG-CD1 4.05Å; L184-L188 HydrophobicContact CG-CG 4.43Å; L184-L188 WeakPolarHBondContact O-CB 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.32Å; L184-L188 PolarHBondContact O-N 3Å
185A90.2Very high85.6Confident58 Ų5886.3 Ų86.348%0.47948%0.475SS..Hα-helixtrans-61.2-38.1176.700000112.3L181 C182 Q183 A189L181-A185 WeakPolarHBondContact O-CB 3.47Å; L181-A185 PolarHBondContact O-N 2.99Å; C182-A185 PolarHBondContact O-N 3.34Å; Q183-A185 VanDerWaalsContact C-N 3.32Å; Q183-A185 PolarHBondContact O-N 3.31Å; A185-A189 WeakPolarHBondContact O-CB 3.49Å; A185-A189 PolarHBondContact O-N 2.72Å
186R89.4Confident84.9Confident156 Ų15690.9 Ų90.959%0.58949%0.489SS*.Hα-helixtrans-64.5-46.4172.7-73-176.4-172.8112.31.9111.8C182 Q183 L184 L188 A189 I190C182-R186 WeakPolarHBondContact O-CG 3.41Å; C182-R186 PolarHBondContact O-N 3.41Å; C182-R186 VanDerWaalsContact O-N 3.11Å; Q183-R186 WeakPolarHBondContact O-CB 3.49Å; Q183-R186 PolarHBondContact O-N 3.05Å; Q183-R186 VanDerWaalsContact O-N 3.15Å; L184-R186 VanDerWaalsContact C-N 3.3Å; L184-R186 PolarHBondContact O-N 3.03Å; R186-L188 VanDerWaalsContact C-N 3.34Å; R186-L188 PolarHBondContact O-N 3.46Å; R186-A189 PolarHBondContact O-N 2.77Å; R186-I190 WeakPolarHBondContact O-CG1 3.35Å; R186-I190 PolarHBondContact O-N 3.21Å
187C87.4Confident83.5Confident53 Ų5392 Ų9236%0.35849%0.493SS..Hα-helixtrans-61.1-43.5178-66.30000111.7Q183 L184 A189 I190 L191Q183-C187 PolarHBondContact O-N 2.95Å; Q183-C187 PolarHBondContact O-SG 3.22Å; Q183-C187 VanDerWaalsContact O-SG 3.4Å; L184-C187 PolarHBondContact O-N 3.42Å; C187-A189 VanDerWaalsContact C-N 3.32Å; C187-A189 PolarHBondContact O-N 3.09Å; C187-I190 PolarHBondContact O-N 3.5Å; C187-L191 PolarHBondContact O-N 2.95Å
188L84.3Confident82.1Confident99 Ų9994.4 Ų94.452%0.51850%0.503SS..Hα-helixtrans-62.5-38175.5-72.2171.5000112.2L184 R186 I190 L191 D192L184-L188 HydrophobicContact CD1-CG 4.47Å; L184-L188 HydrophobicContact CG-CD1 4.05Å; L184-L188 HydrophobicContact CG-CG 4.43Å; L184-L188 WeakPolarHBondContact O-CB 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.32Å; L184-L188 PolarHBondContact O-N 3Å; R186-L188 VanDerWaalsContact C-N 3.34Å; R186-L188 PolarHBondContact O-N 3.46Å; L188-I190 VanDerWaalsContact C-N 3.35Å; L188-L191 PolarHBondContact O-N 3.45Å; L188-D192 WeakPolarHBondContact O-CB 3.36Å; L188-D192 PolarHBondContact O-N 3.23Å
189A83.8Confident80.8Confident63 Ų6394.1 Ų94.152%0.52150%0.503SS..Hα-helixtrans-66.4-35.6175.300000112.7A185 R186 C187 G193A185-A189 WeakPolarHBondContact O-CB 3.49Å; A185-A189 PolarHBondContact O-N 2.72Å; R186-A189 PolarHBondContact O-N 2.77Å; C187-A189 VanDerWaalsContact C-N 3.32Å; C187-A189 PolarHBondContact O-N 3.09Å; A189-G193 PolarHBondContact O-N 3.48Å
190I85.6Confident79.1Confident104 Ų10494.1 Ų94.153%0.53350%0.501SS..Hα-helixtrans-66.5-45.4173.3-65.6166.1000109.9R186 C187 L188 G193 Q194R186-I190 WeakPolarHBondContact O-CG1 3.35Å; R186-I190 PolarHBondContact O-N 3.21Å; C187-I190 PolarHBondContact O-N 3.5Å; L188-I190 VanDerWaalsContact C-N 3.35Å; I190-G193 PolarHBondContact O-N 3.39Å; I190-Q194 WeakPolarHBondContact O-CG 3.39Å; I190-Q194 PolarHBondContact O-N 3.47Å
191L79.8Confident77.4Confident80 Ų8094.2 Ų94.242%0.41950%0.502SS..Hα-helixtrans-62.1-44178.5-161.692.7000111.6C187 L188 G193 Q194 L195C187-L191 PolarHBondContact O-N 2.95Å; L188-L191 PolarHBondContact O-N 3.45Å; L191-G193 VanDerWaalsContact C-N 3.32Å; L191-G193 PolarHBondContact O-N 3.43Å; L191-Q194 PolarHBondContact O-N 3.17Å; L191-L195 WeakPolarHBondContact O-CB 3.49Å; L191-L195 PolarHBondContact O-N 3.48Å
192D80Confident75.3Confident111 Ų11195.5 Ų95.559%0.59451%0.505SS*.Hα-helixtrans-62.6-40175.9-17047.2000111.2L188 L195 Y196L188-D192 WeakPolarHBondContact O-CB 3.36Å; L188-D192 PolarHBondContact O-N 3.23Å; D192-L195 PolarHBondContact O-N 3.19Å; D192-Y196 VanDerWaalsContact O-CB 3.31Å; D192-Y196 WeakPolarHBondContact O-CB 3.45Å; D192-Y196 PolarHBondContact O-N 3.4Å
193G73.4Confident73.3Confident34 Ų34100.5 Ų100.535%0.35152%0.516SS..Hα-helixtrans-61-43171.700000113.1A189 I190 L191 Y196 C197A189-G193 PolarHBondContact O-N 3.48Å; I190-G193 PolarHBondContact O-N 3.39Å; L191-G193 VanDerWaalsContact C-N 3.32Å; L191-G193 PolarHBondContact O-N 3.43Å; G193-Y196 PolarHBondContact O-N 2.9Å; G193-C197 PolarHBondContact O-N 2.95Å; G193-C197 PolarHBondContact O-SG 2.75Å
194Q79.8Confident71.2Confident105 Ų10599.9 Ų99.949%0.49152%0.516SS..Hα-helixtrans-66.1-42.7176.2-72.6178.7-14.600111.8I190 L191 Y196 C197 L198I190-Q194 WeakPolarHBondContact O-CG 3.39Å; I190-Q194 PolarHBondContact O-N 3.47Å; L191-Q194 PolarHBondContact O-N 3.17Å; Q194-Y196 VanDerWaalsContact C-N 3.33Å; Q194-Y196 PolarHBondContact O-N 2.9Å; Q194-C197 PolarHBondContact O-N 3.32Å; Q194-L198 WeakPolarHBondContact O-CB 3.34Å; Q194-L198 PolarHBondContact O-N 3.48Å
195L66Low68.8Low111 Ų111101 Ų10158%0.58152%0.522SS*.Hα-helixtrans-63.2-41.1177.2-15883.5000111L191 D192 L198 N199L191-L195 WeakPolarHBondContact O-CB 3.49Å; L191-L195 PolarHBondContact O-N 3.48Å; D192-L195 PolarHBondContact O-N 3.19Å; L195-L198 PolarHBondContact O-N 2.96Å; L195-N199 WeakPolarHBondContact O-CB 3.47Å; L195-N199 PolarHBondContact O-N 2.9Å
196Y71.9Confident66.3Low162 Ų162103.5 Ų103.564%0.63553%0.528SS*.Hα-helixtrans-61.9-43.6174.6-177.2-96.6000112D192 G193 Q194 K200D192-Y196 VanDerWaalsContact O-CB 3.31Å; D192-Y196 WeakPolarHBondContact O-CB 3.45Å; D192-Y196 PolarHBondContact O-N 3.4Å; G193-Y196 PolarHBondContact O-N 2.9Å; Q194-Y196 VanDerWaalsContact C-N 3.33Å; Q194-Y196 PolarHBondContact O-N 2.9Å; Y196-K200 WeakPolarHBondContact O-CB 3.48Å; Y196-K200 PolarHBondContact O-N 3.4Å
197C60.8Low63.7Low73 Ų73100.2 Ų100.249%0.49353%0.525SS..Hα-helixtrans-64.5-43.6175.2-71.50000112.5G193 Q194 K200 N201G193-C197 PolarHBondContact O-N 2.95Å; G193-C197 PolarHBondContact O-SG 2.75Å; Q194-C197 PolarHBondContact O-N 3.32Å; C197-K200 PolarHBondContact O-N 3.08Å; C197-N201 PolarHBondContact O-N 2.93Å
198L59.2Low61.5Low113 Ų113102.4 Ų102.459%0.59253%0.532SS*.Hα-helixtrans-61-46176.6-101.6152.2000112Q194 L195 K200 N201 Q202Q194-L198 WeakPolarHBondContact O-CB 3.34Å; Q194-L198 PolarHBondContact O-N 3.48Å; L195-L198 PolarHBondContact O-N 2.96Å; L198-K200 VanDerWaalsContact C-N 3.32Å; L198-K200 PolarHBondContact O-N 3.33Å; L198-N201 PolarHBondContact O-N 3.14Å; L198-Q202 PolarHBondContact O-N 3.23Å
199N61.4Low59.3Low91 Ų91104.9 Ų104.949%0.48755%0.545SS..Hα-helixtrans-63.2-40.5178.6-162.4-15000110.8L195 N201 Q202 Y203L195-N199 WeakPolarHBondContact O-CB 3.47Å; L195-N199 PolarHBondContact O-N 2.9Å; N199-N201 PolarHBondContact O-N 3.34Å; N199-Q202 WeakPolarHBondContact O-CB 3.43Å; N199-Q202 PolarHBondContact O-N 3.45Å; N199-Y203 WeakPolarHBondContact O-CD2 3.34Å; N199-Y203 PolarHBondContact O-N 2.86Å
200K56.5Low56.9Low129 Ų129109.1 Ų109.156%0.56156%0.558SS**Hα-helixtrans-66.1-36174.8-157.7-178.8-178.6-169.90112.8Y196 C197 L198 Q202 Y203 N204Y196-K200 WeakPolarHBondContact O-CB 3.48Å; Y196-K200 PolarHBondContact O-N 3.4Å; C197-K200 PolarHBondContact O-N 3.08Å; L198-K200 VanDerWaalsContact C-N 3.32Å; L198-K200 PolarHBondContact O-N 3.33Å; K200-Q202 VanDerWaalsContact C-N 3.33Å; K200-Y203 PolarHBondContact O-N 2.99Å; K200-N204 PolarHBondContact O-N 3.42Å
201N54Low54.3Low88 Ų88108.8 Ų108.847%0.47156%0.564SS.*Hα-helixtrans-70.5-27.9174.9-73.5-8.8000112.5C197 L198 N199 Y203 N204 N205C197-N201 PolarHBondContact O-N 2.93Å; L198-N201 PolarHBondContact O-N 3.14Å; N199-N201 PolarHBondContact O-N 3.34Å; N201-Y203 VanDerWaalsContact C-N 3.28Å; N201-Y203 PolarHBondContact O-N 3.36Å; N201-N204 PolarHBondContact O-N 3.17Å; N201-N204 VanDerWaalsContact O-N 3.16Å; N201-N205 PolarHBondContact O-N 3.01Å
202Q48.2Very low51.9Low131 Ų131111.8 Ų111.861%0.61258%0.58SS**Hα-helixtrans-64.9-34.7173.2-131.5-175.625.500111.8L198 N199 K200 N206L198-Q202 PolarHBondContact O-N 3.23Å; N199-Q202 WeakPolarHBondContact O-CB 3.43Å; N199-Q202 PolarHBondContact O-N 3.45Å; K200-Q202 VanDerWaalsContact C-N 3.33Å; Q202-N206 WeakPolarHBondContact O-CB 3.4Å; Q202-N206 VanDerWaalsContact O-CG 3.31Å; Q202-N206 PolarHBondContact O-N 2.91Å; Q202-N206 PolarHBondContact O-ND2 2.78Å
203Y46.5Very low49.7Very low167 Ų167113.9 Ų113.966%0.65559%0.591SS**Hα-helixtrans-68.8-36.9171.4-79.8-84.3000112.4N199 K200 N201 V207N199-Y203 WeakPolarHBondContact O-CD2 3.34Å; N199-Y203 PolarHBondContact O-N 2.86Å; K200-Y203 PolarHBondContact O-N 2.99Å; N201-Y203 VanDerWaalsContact C-N 3.28Å; N201-Y203 PolarHBondContact O-N 3.36Å; Y203-V207 WeakPolarHBondContact O-CB 3.29Å; Y203-V207 WeakPolarHBondContact O-CG2 3.38Å; Y203-V207 PolarHBondContact O-N 3.23Å
204N46.6Very low47.8Very low86 Ų86119.4 Ų119.446%0.4661%0.613SS.*Hα-helixtrans-75-38.7178.4-76.1-7.9000112.9K200 N201 N206 V207 I208K200-N204 PolarHBondContact O-N 3.42Å; N201-N204 PolarHBondContact O-N 3.17Å; N201-N204 VanDerWaalsContact O-N 3.16Å; N204-N206 VanDerWaalsContact C-N 3.33Å; N204-N206 PolarHBondContact O-N 2.65Å; N204-V207 PolarHBondContact O-N 3.44Å; N204-V207 VanDerWaalsContact O-N 3.14Å; N204-I208 VanDerWaalsContact O-CG1 3.24Å; N204-I208 WeakPolarHBondContact O-CG1 3.41Å; N204-I208 PolarHBondContact O-N 3.46Å
205N40.6Very low45.6Very low106 Ų106121 Ų12157%0.56763%0.625SS**Hα-helixtrans-67.2-35.7178.5-77.18.5000111.8N201 V207 L209N201-N205 PolarHBondContact O-N 3.01Å; N205-V207 VanDerWaalsContact C-N 3.31Å; N205-V207 PolarHBondContact O-N 2.95Å; N205-L209 PolarHBondContact O-N 2.9Å
206N36.7Very low44.1Very low112 Ų112122.3 Ų122.360%0.59963%0.633SS**Hα-helixtrans-70.5-27.5173.6-68.9-6.8000112.7Q202 N204Q202-N206 WeakPolarHBondContact O-CB 3.4Å; Q202-N206 VanDerWaalsContact O-CG 3.31Å; Q202-N206 PolarHBondContact O-N 2.91Å; Q202-N206 PolarHBondContact O-ND2 2.78Å; N204-N206 VanDerWaalsContact C-N 3.33Å; N204-N206 PolarHBondContact O-N 2.65Å
207V36Very low42.3Very low87 Ų87121.3 Ų121.353%0.52764%0.638SS.*Hα-helixtrans-81.1-35.1175.9172.60000111.7Y203 N204 N205 L209 L210Y203-V207 WeakPolarHBondContact O-CB 3.29Å; Y203-V207 WeakPolarHBondContact O-CG2 3.38Å; Y203-V207 PolarHBondContact O-N 3.23Å; N204-V207 PolarHBondContact O-N 3.44Å; N204-V207 VanDerWaalsContact O-N 3.14Å; N205-V207 VanDerWaalsContact C-N 3.31Å; N205-V207 PolarHBondContact O-N 2.95Å; V207-L209 VanDerWaalsContact C-N 3.28Å; V207-L209 PolarHBondContact O-N 2.82Å; V207-L210 PolarHBondContact O-N 3.24Å
208I41.2Very low40.8Very low98 Ų98125 Ų12550%0.50365%0.653SS.*Hα-helixtrans-65.4-35.1176.3-67.2165.6000110.4N204 L210 C211N204-I208 VanDerWaalsContact O-CG1 3.24Å; N204-I208 WeakPolarHBondContact O-CG1 3.41Å; N204-I208 PolarHBondContact O-N 3.46Å; I208-L210 VanDerWaalsContact C-N 3.26Å; I208-L210 PolarHBondContact O-N 3.41Å; I208-C211 PolarHBondContact O-N 3.07Å
209L36.9Very low39.4Very low151 Ų151125.3 Ų125.379%0.79166%0.662SS**THydrogen-bonded Turntrans-69.4-19.4178.7-13683.1000114.2N205 V207N205-L209 PolarHBondContact O-N 2.9Å; V207-L209 VanDerWaalsContact C-N 3.28Å; V207-L209 PolarHBondContact O-N 2.82Å
210L33.6Very low37.8Very low153 Ų153127.9 Ų127.980%0.80168%0.675SS**THydrogen-bonded Turntrans-92.9-12.4-178.2-128.878.2000114.3V207 I208V207-L210 PolarHBondContact O-N 3.24Å; I208-L210 VanDerWaalsContact C-N 3.26Å; I208-L210 PolarHBondContact O-N 3.41Å
211C31Very low36.4Very low96 Ų96129.4 Ų129.465%0.64969%0.687SS**SBendtrans-99.22.4-175-72.30000114.6I208 N213I208-C211 PolarHBondContact O-N 3.07Å; C211-N213 VanDerWaalsContact C-N 3.26Å; C211-N213 PolarHBondContact O-N 2.98Å
212N30.2Very low35.3Very low144 Ų144130.2 Ų130.277%0.7770%0.697SS**THydrogen-bonded Turntrans-86.921.8-172.6-146.230.5000115.6
213N33.6Very low34.3Very low154 Ų154129.8 Ų129.882%0.82471%0.707SS**THydrogen-bonded Turntrans-116.124177.8-83-3.4000113.8C211C211-N213 VanDerWaalsContact C-N 3.26Å; C211-N213 PolarHBondContact O-N 2.98Å
214N32.5Very low33.3Very low150 Ų150128.2 Ų128.280%0.80271%0.71SS**SBendtrans-128.8115.2165.2-95.1-16000110.1
215D33.7Very low32.5Very low139 Ų139132.4 Ų132.474%0.74373%0.727SS**  trans-41.8151.7167.7-59.9-63.3000112.6
216N34.8Very low31.8Very low139 Ų139137.9 Ų137.974%0.74374%0.741SS**  trans101.192.9166.9-48.8-62.5000116
217N33.8Very low31.4Very low141 Ų141138.7 Ų138.775%0.75475%0.75SS**  48.184.6129.5-50.7-39.6000117
218D28.9Very low31Very low149 Ų149141 Ų14180%0.79776%0.764SS**  trans-159.4114.6139-92.6-31.5000110.2L220D218-L220 PolarHBondContact O-N 2.84Å
219P31.6Very low30.1Very low120 Ų120140.7 Ų140.778%0.77977%0.771SS**  trans-69.2118.2-178.725.1-29.9000110.8I221P219-I221 PolarHBondContact O-N 2.98Å; P219-I221 VanDerWaalsContact O-N 3.15Å
220L27.4Very low29.6Very low146 Ų146140.5 Ų140.576%0.76477%0.77SS**  trans-57.1115.9177.7-95.181.5000111D218 P222D218-L220 PolarHBondContact O-N 2.84Å; L220-P222 WeakPolarHBondContact O-CD 3.45Å
221I26.8Very low29.2Very low161 Ų161139.1 Ų139.183%0.82676%0.763SS**  trans-59.8122.6172-60.2173.2000109.1P219 C223P219-I221 PolarHBondContact O-N 2.98Å; P219-I221 VanDerWaalsContact O-N 3.15Å; I221-C223 PolarHBondContact O-N 3.16Å
222P31.2Very low29Very low104 Ų104141 Ų14168%0.67577%0.766SS**  trans-65.2124.7175.9-1830.6000110.7L220 N224L220-P222 WeakPolarHBondContact O-CD 3.45Å; P222-N224 PolarHBondContact O-N 3.21Å; P222-N224 VanDerWaalsContact O-N 3.1Å
223C25.8Very low28.7Very low122 Ų122140.3 Ų140.382%0.82476%0.763SS**  trans-72.5103.9178.2-166.90000109.7I221 H225I221-C223 PolarHBondContact O-N 3.16Å; C223-H225 PolarHBondContact O-N 2.8Å
224N27.1Very low28.3Very low135 Ų135139.9 Ų139.972%0.72277%0.765SS**  trans-51.3125.9177-78.2-29.7000112.7P222 Y226P222-N224 PolarHBondContact O-N 3.21Å; P222-N224 VanDerWaalsContact O-N 3.1Å; N224-Y226 PolarHBondContact O-N 3.19Å
225H29.1Very low28Very low174 Ų174138.7 Ų138.781%0.80677%0.769SS**  trans-70.8115.1166-65.3-62000109.4C223 T227C223-H225 PolarHBondContact O-N 2.8Å; H225-T227 VanDerWaalsContact C-N 3.3Å; H225-T227 PolarHBondContact O-N 3.17Å
226Y26.9Very low27.5Very low221 Ų221138.2 Ų138.287%0.86777%0.771SS**  trans-69.986.1167.9-65.1-85.7000109.3N224 T228N224-Y226 PolarHBondContact O-N 3.19Å; Y226-T228 PolarHBondContact O-N 3.16Å
227T27Very low27Very low128 Ų128137.6 Ų137.679%0.78577%0.773SS**  trans-77104.2158.740.10000107.4H225 S229H225-T227 VanDerWaalsContact C-N 3.3Å; H225-T227 PolarHBondContact O-N 3.17Å; T227-S229 VanDerWaalsContact C-N 3.31Å; T227-S229 PolarHBondContact O-N 3.41Å
228T27.1Very low26.5Very low135 Ų135138.2 Ų138.283%0.82877%0.773SS**  trans-61.897.216739.10000108.6Y226 L230Y226-T228 PolarHBondContact O-N 3.16Å; T228-L230 PolarHBondContact O-N 3.22Å; T228-L230 VanDerWaalsContact O-N 3.1Å
229S23.2Very low26.2Very low93 Ų93136 Ų13665%0.6577%0.769SS**  trans-46.4105160165.90000109.8T227 I231T227-S229 VanDerWaalsContact C-N 3.31Å; T227-S229 PolarHBondContact O-N 3.41Å; S229-I231 WeakPolarHBondContact OG-CG1 3.45Å
230L26.2Very low26Very low147 Ų147136.4 Ų136.477%0.7777%0.765SS**  trans-107.991.3160.2-164.975.8000105.8T228 N232T228-L230 PolarHBondContact O-N 3.22Å; T228-L230 VanDerWaalsContact O-N 3.1Å; L230-N232 PolarHBondContact O-N 3.01Å; L230-N232 VanDerWaalsContact O-N 3.07Å
231I25.1Very low26Very low124 Ų124135.5 Ų135.564%0.63676%0.756SS**  trans-68.596.5171.3-62.8155.9000106S229S229-I231 WeakPolarHBondContact OG-CG1 3.45Å
232N28Very low26.1Very low134 Ų134135.8 Ų135.872%0.71776%0.758SS**  trans-106.4103.4159-83.17.6000106.6L230L230-N232 PolarHBondContact O-N 3.01Å; L230-N232 VanDerWaalsContact O-N 3.07Å
233D23Very low26.1Very low131 Ų131137.8 Ų137.870%0.70176%0.763SS**  trans-53.9158.3165.9-66.4-48.8000110.9
234T25.3Very low26.4Very low144 Ų144137.2 Ų137.288%0.88375%0.752SS**  trans7180.6169.228.60000117.2
235S26.3Very low26.6Very low125 Ų125136.8 Ų136.887%0.87475%0.749SS**  -166.7116.7117.7-151.70000110.6
236T22.4Very low26.9Very low130 Ų130138.2 Ų138.280%0.79875%0.753SS**  trans-62.1148.7179.3-29.80000111.3
237T24.6Very low27.2Very low126 Ų126133.7 Ų133.777%0.77375%0.745SS**  trans86.272.6158.2-32.50000116.8
238M24.1Very low27.6Very low154 Ų154133.8 Ų133.876%0.75974%0.74SS**  trans-168.273.6136.1-90.3-117.448.900108.4N240M238-N240 PolarHBondContact O-N 2.94Å; M238-N240 VanDerWaalsContact O-N 3.16Å
239S22.5Very low28.1Very low103 Ų103135.4 Ų135.472%0.7274%0.736SS**  trans-66.2103.2164.3-174.70000108.3
240N27Very low28.7Very low127 Ų127138.7 Ų138.768%0.67975%0.746SS**  trans-11079.5153.1-79.8-22.5000106.7M238 L242M238-N240 PolarHBondContact O-N 2.94Å; M238-N240 VanDerWaalsContact O-N 3.16Å; N240-L242 VanDerWaalsContact C-N 3.25Å; N240-L242 PolarHBondContact O-N 3.37Å
241H26.7Very low29.2Very low128 Ų128138.8 Ų138.859%0.59375%0.747SS**  trans-7.577.1138.6-151.1-83.7000114.5L243 N244H241-L243 PolarHBondContact CE1-O 3.47Å; H241-L243 PolarHBondContact ND1-O 2.88Å; H241-N244 PolarHBondContact ND1-OD1 3.35Å; H241-N244 VanDerWaalsContact ND1-OD1 3.08Å
242L29.1Very low30Very low166 Ų166140 Ų14087%0.86976%0.755SS**  trans-106.925.8161.1-94.2162.6000110.1N240N240-L242 VanDerWaalsContact C-N 3.25Å; N240-L242 PolarHBondContact O-N 3.37Å
243L31.3Very low30.7Very low147 Ų147140.5 Ų140.577%0.7776%0.758SS**  trans-9575.6148-92.584.7000107.1H241H241-L243 PolarHBondContact CE1-O 3.47Å; H241-L243 PolarHBondContact ND1-O 2.88Å
244N33.4Very low31.7Very low110 Ų110142.2 Ų142.259%0.58877%0.767SS**  trans-92.792.6149.4-72-1.4000103H241 F246H241-N244 PolarHBondContact ND1-OD1 3.35Å; H241-N244 VanDerWaalsContact ND1-OD1 3.08Å; N244-F246 PolarHBondContact O-N 2.98Å
245D31Very low32.7Very low126 Ų126141.5 Ų141.567%0.67476%0.758SS**  52.959.682.7-142.313000110.1N247D245-N247 VanDerWaalsContact C-N 3.26Å; D245-N247 PolarHBondContact O-N 3.49Å; D245-N247 PolarHBondContact OD1-ND2 3.5Å
246F35.6Very low33.5Very low203 Ų203138 Ų13889%0.8974%0.741SS**  trans-92.872.1157.3-74.2-75.2000107.6N244N244-F246 PolarHBondContact O-N 2.98Å
247N33Very low34.9Very low127 Ų127137 Ų13768%0.67973%0.731SS**  trans-87.6153.6150.4-88.3-45.1000108.6D245D245-N247 VanDerWaalsContact C-N 3.26Å; D245-N247 PolarHBondContact O-N 3.49Å; D245-N247 PolarHBondContact OD1-ND2 3.5Å
248D35Very low36.3Very low130 Ų130134.5 Ų134.570%0.69572%0.719SS**  trans90.1114.2161.6-88.16.4000120.6
249K36.9Very low37.8Very low169 Ų169133.8 Ų133.874%0.73571%0.714SS**  trans88.4101.3135.5-69172.4-176.3167.60118.5N251K249-N251 PolarHBondContact O-N 2.98Å
250D36.4Very low39.6Very low162 Ų162132 Ų13287%0.86670%0.7SS**  14.397.4120.8-56.8-26.2000115
251N37.6Very low41.8Very low149 Ų149130.8 Ų130.880%0.79769%0.691SS**  trans-151.7111.2143.5-141.54.1000108.7K249 N253K249-N251 PolarHBondContact O-N 2.98Å; N251-N253 PolarHBondContact O-N 3.09Å
252D40.1Very low44.4Very low149 Ų149129.3 Ų129.380%0.79769%0.687SS**  trans-50.5120.3161.9-64.7-51.2000108.5
253N42.7Very low46.7Very low145 Ų145124.5 Ų124.578%0.77567%0.667SS**  trans-178.4139.2142.3-87.1-42.7000110.2N251 D255N251-N253 PolarHBondContact O-N 3.09Å; N253-D255 PolarHBondContact O-N 2.96Å
254D44.6Very low49.2Very low166 Ų166122.7 Ų122.789%0.88865%0.654SS**THydrogen-bonded Turntrans-63.421-164.2-151.68.1000116.7
255D46.3Very low51.7Low129 Ų129121.9 Ų121.969%0.6965%0.649SS**THydrogen-bonded Turntrans-98.8-1.4179.9-73.9-27000113.2N253 N257 S258N253-D255 PolarHBondContact O-N 2.96Å; D255-N257 VanDerWaalsContact C-N 3.31Å; D255-N257 PolarHBondContact O-N 3.29Å; D255-S258 PolarHBondContact O-OG 3.19Å
256G44Very low54.4Low52 Ų52119.3 Ų119.354%0.53664%0.635SS.*Hα-helixtrans-66-25.8-174.400000115C260G256-C260 PolarHBondContact O-N 2.92Å
257N51.7Low56.8Low108 Ų108113.4 Ų113.458%0.57861%0.61SS**Hα-helixtrans-72.1-39.9-178.2-168.158.6000112.1D255 Q259 C260 E261D255-N257 VanDerWaalsContact C-N 3.31Å; D255-N257 PolarHBondContact O-N 3.29Å; N257-Q259 PolarHBondContact O-N 3.47Å; N257-C260 PolarHBondContact O-N 2.9Å; N257-E261 PolarHBondContact ND2-OE1 3.48Å; N257-E261 WeakPolarHBondContact O-CG 3.45Å; N257-E261 PolarHBondContact O-N 2.98Å; N257-E261 VanDerWaalsContact O-N 3.11Å
258S53.4Low59.5Low75 Ų75113.2 Ų113.252%0.52461%0.605SS.*Hα-helixtrans-69.8-32.6-178.863.20000112.7D255 L262D255-S258 PolarHBondContact O-OG 3.19Å; S258-L262 WeakPolarHBondContact O-CB 3.48Å; S258-L262 PolarHBondContact O-N 3.21Å
259Q56.5Low62.2Low138 Ų138112.6 Ų112.665%0.64560%0.598SS**Hα-helixtrans-71-37.5177.5-109.7-139.512.500112.6N257 S263N257-Q259 PolarHBondContact O-N 3.47Å; Q259-S263 WeakPolarHBondContact O-CB 3.2Å; Q259-S263 PolarHBondContact O-N 3.38Å; Q259-S263 PolarHBondContact O-OG 2.96Å
260C58.8Low64.9Low65 Ų65109.7 Ų109.744%0.43959%0.585SS.*Hα-helixtrans-65.8-46175.9-172.60000110.8G256 N257 S263 Q264G256-C260 PolarHBondContact O-N 2.92Å; N257-C260 PolarHBondContact O-N 2.9Å; C260-S263 PolarHBondContact O-N 3.03Å; C260-Q264 WeakPolarHBondContact O-CG 3.47Å; C260-Q264 PolarHBondContact O-N 3.2Å; C260-Q264 PolarHBondContact SG-NE2 3.3Å
261E74.3Confident67.5Low102 Ų102109.3 Ų109.348%0.47757%0.572SS.*Hα-helixtrans-61.8-44.6175.3-72.9179.9-171.800111.8N257 S263 Q264 I265N257-E261 PolarHBondContact ND2-OE1 3.48Å; N257-E261 WeakPolarHBondContact O-CG 3.45Å; N257-E261 PolarHBondContact O-N 2.98Å; N257-E261 VanDerWaalsContact O-N 3.11Å; E261-S263 VanDerWaalsContact C-N 3.34Å; E261-S263 PolarHBondContact O-N 3.42Å; E261-Q264 PolarHBondContact O-N 3.42Å; E261-I265 VanDerWaalsContact O-CG1 3.25Å; E261-I265 WeakPolarHBondContact O-CG1 3.48Å; E261-I265 PolarHBondContact O-N 2.9Å
262L80.8Confident70.2Confident98 Ų98106.8 Ų106.851%0.51356%0.558SS.*Hα-helixtrans-61.5-42.4177.4-173.467.3000111.7S258 Q264 I265 I266S258-L262 WeakPolarHBondContact O-CB 3.48Å; S258-L262 PolarHBondContact O-N 3.21Å; L262-Q264 PolarHBondContact O-N 3.31Å; L262-I265 PolarHBondContact O-N 2.96Å; L262-I266 HydrophobicContact CD1-CD1 4.49Å; L262-I266 HydrophobicContact CG-CD1 3.97Å; L262-I266 WeakPolarHBondContact O-CB 3.07Å; L262-I266 VanDerWaalsContact O-CG1 3.25Å; L262-I266 WeakPolarHBondContact O-CG1 3.22Å; L262-I266 PolarHBondContact O-N 3.26Å
263S78.3Confident72.8Confident64 Ų64103.5 Ų103.545%0.44854%0.539SS..Hα-helixtrans-64.1-40.4177.2-62.60000111.9Q259 C260 E261 I266 E267Q259-S263 WeakPolarHBondContact O-CB 3.2Å; Q259-S263 PolarHBondContact O-N 3.38Å; Q259-S263 PolarHBondContact O-OG 2.96Å; C260-S263 PolarHBondContact O-N 3.03Å; E261-S263 VanDerWaalsContact C-N 3.34Å; E261-S263 PolarHBondContact O-N 3.42Å; S263-I266 PolarHBondContact O-N 3.48Å; S263-E267 WeakPolarHBondContact O-CB 3.41Å; S263-E267 PolarHBondContact O-N 3.08Å
264Q82.7Confident75.2Confident109 Ų109101.8 Ų101.851%0.50953%0.529SS..Hα-helixtrans-64.6-41.9174.8-71.1177.840.600111.9C260 E261 L262 E267 Q268C260-Q264 WeakPolarHBondContact O-CG 3.47Å; C260-Q264 PolarHBondContact O-N 3.2Å; C260-Q264 PolarHBondContact SG-NE2 3.3Å; E261-Q264 PolarHBondContact O-N 3.42Å; L262-Q264 PolarHBondContact O-N 3.31Å; Q264-E267 PolarHBondContact O-N 3.42Å; Q264-Q268 WeakPolarHBondContact O-CB 3.42Å; Q264-Q268 WeakPolarHBondContact O-CG 3.49Å; Q264-Q268 PolarHBondContact O-N 3.45Å
265I87Confident77.5Confident94 Ų9498.2 Ų98.248%0.48251%0.507SS..Hα-helixtrans-63.3-45.7176.8-68.6163.9000110.5E261 L262 E267 Q268 Q269E261-I265 VanDerWaalsContact O-CG1 3.25Å; E261-I265 WeakPolarHBondContact O-CG1 3.48Å; E261-I265 PolarHBondContact O-N 2.9Å; L262-I265 PolarHBondContact O-N 2.96Å; I265-E267 VanDerWaalsContact C-N 3.32Å; I265-E267 PolarHBondContact O-N 3.05Å; I265-Q268 PolarHBondContact O-N 3.02Å; I265-Q269 WeakPolarHBondContact O-CB 3.35Å; I265-Q269 PolarHBondContact O-N 2.87Å
266I86.3Confident79.7Confident71 Ų7196 Ų9636%0.36449%0.494SS..Hα-helixtrans-59.8-43.5177.1-70.5166.2000110.6L262 S263 Q269 K270L262-I266 HydrophobicContact CD1-CD1 4.49Å; L262-I266 HydrophobicContact CG-CD1 3.97Å; L262-I266 WeakPolarHBondContact O-CB 3.07Å; L262-I266 VanDerWaalsContact O-CG1 3.25Å; L262-I266 WeakPolarHBondContact O-CG1 3.22Å; L262-I266 PolarHBondContact O-N 3.26Å; S263-I266 PolarHBondContact O-N 3.48Å; I266-Q269 PolarHBondContact O-N 2.88Å; I266-K270 WeakPolarHBondContact O-CG 3.33Å; I266-K270 PolarHBondContact O-N 2.85Å
267E87.1Confident82.2Confident79 Ų79100.1 Ų100.137%0.36950%0.497SS..Hα-helixtrans-66.7-40.4177.5-83.1-59.8126.800113S263 Q264 I265 Q269 K270 R271S263-E267 WeakPolarHBondContact O-CB 3.41Å; S263-E267 PolarHBondContact O-N 3.08Å; Q264-E267 PolarHBondContact O-N 3.42Å; I265-E267 VanDerWaalsContact C-N 3.32Å; I265-E267 PolarHBondContact O-N 3.05Å; E267-Q269 VanDerWaalsContact C-N 3.34Å; E267-K270 PolarHBondContact O-N 3.01Å; E267-K270 WeakPolarHBondContact OE1-CD 3.26Å; E267-K270 IonicContact OE1-NZ 2.85Å; E267-K270 PolarHBondContact OE1-NZ 3.2Å; E267-R271 WeakPolarHBondContact O-CG 3.44Å; E267-R271 PolarHBondContact O-N 3.43Å
268Q89.3Confident84.1Confident123 Ų123100 Ų10058%0.57549%0.493SS*.Hα-helixtrans-63.1-41.7173.3-73.9-179.95.100111.5Q264 I265 R271 L272Q264-Q268 WeakPolarHBondContact O-CB 3.42Å; Q264-Q268 WeakPolarHBondContact O-CG 3.49Å; Q264-Q268 PolarHBondContact O-N 3.45Å; I265-Q268 PolarHBondContact O-N 3.02Å; Q268-R271 PolarHBondContact O-N 2.89Å; Q268-L272 WeakPolarHBondContact O-CB 3.43Å; Q268-L272 PolarHBondContact O-N 3.26Å
269Q91.5Very high85.9Confident117 Ų11799 Ų9955%0.54749%0.49SS..Hα-helixtrans-64.1-42.1178.4-164.4177.52.700111.5I265 I266 E267 L272 I273I265-Q269 WeakPolarHBondContact O-CB 3.35Å; I265-Q269 PolarHBondContact O-N 2.87Å; I266-Q269 PolarHBondContact O-N 2.88Å; E267-Q269 VanDerWaalsContact C-N 3.34Å; Q269-L272 PolarHBondContact O-N 3.31Å; Q269-I273 HydrophobicContact CG-CD1 4.3Å; Q269-I273 WeakPolarHBondContact O-CD1 3.27Å; Q269-I273 VanDerWaalsContact O-CG1 3.26Å; Q269-I273 WeakPolarHBondContact O-CG1 3.43Å; Q269-I273 PolarHBondContact O-N 3.49Å
270K92.8Very high87.6Confident108 Ų10898.2 Ų98.247%0.4749%0.486SS..Hα-helixtrans-60.1-46.9172.7-73.2176.2-169.2166.30112.1I266 E267 L272 I273 I274I266-K270 WeakPolarHBondContact O-CG 3.33Å; I266-K270 PolarHBondContact O-N 2.85Å; E267-K270 PolarHBondContact O-N 3.01Å; E267-K270 WeakPolarHBondContact OE1-CD 3.26Å; E267-K270 IonicContact OE1-NZ 2.85Å; E267-K270 PolarHBondContact OE1-NZ 3.2Å; K270-L272 VanDerWaalsContact C-N 3.32Å; K270-L272 PolarHBondContact O-N 3.47Å; K270-I273 PolarHBondContact O-N 3.06Å; K270-I274 WeakPolarHBondContact O-CG1 3.25Å; K270-I274 PolarHBondContact O-N 3.43Å; K270-I274 VanDerWaalsContact O-N 3.09Å
271R91.4Very high89.3Confident154 Ų154101 Ų10158%0.58150%0.496SS*.Hα-helixtrans-60-43.3177.6-72179.4-148.1-1544.9111.6E267 Q268 I274 Q275E267-R271 WeakPolarHBondContact O-CG 3.44Å; E267-R271 PolarHBondContact O-N 3.43Å; Q268-R271 PolarHBondContact O-N 2.89Å; R271-I274 PolarHBondContact O-N 3.19Å; R271-Q275 WeakPolarHBondContact O-CG 3.44Å; R271-Q275 PolarHBondContact O-N 3.25Å
272L95.2Very high90.3Very high96 Ų9699.2 Ų99.250%0.50349%0.489SS..Hα-helixtrans-63.9-42.8178.3-175.463.8000111.8Q268 Q269 K270 I274 Q275 I276Q268-L272 WeakPolarHBondContact O-CB 3.43Å; Q268-L272 PolarHBondContact O-N 3.26Å; Q269-L272 PolarHBondContact O-N 3.31Å; K270-L272 VanDerWaalsContact C-N 3.32Å; K270-L272 PolarHBondContact O-N 3.47Å; L272-I274 VanDerWaalsContact C-N 3.3Å; L272-I274 PolarHBondContact O-N 2.96Å; L272-Q275 PolarHBondContact O-N 3.27Å; L272-I276 HydrophobicContact CD1-CD1 4.49Å; L272-I276 HydrophobicContact CG-CD1 4.03Å; L272-I276 WeakPolarHBondContact O-CG1 3.41Å; L272-I276 PolarHBondContact O-N 2.69Å
273I94.5Very high90.8Very high81 Ų81104 Ų10442%0.41550%0.501SS..Hα-helixtrans-59.9-41.1176.2-70.8164.1000111.3Q269 K270 I276 K277Q269-I273 HydrophobicContact CG-CD1 4.3Å; Q269-I273 WeakPolarHBondContact O-CD1 3.27Å; Q269-I273 VanDerWaalsContact O-CG1 3.26Å; Q269-I273 WeakPolarHBondContact O-CG1 3.43Å; Q269-I273 PolarHBondContact O-N 3.49Å; K270-I273 PolarHBondContact O-N 3.06Å; I273-I276 PolarHBondContact O-N 3Å; I273-K277 HydrophobicContact CG2-CD 4.48Å; I273-K277 WeakPolarHBondContact O-CG 3.42Å; I273-K277 PolarHBondContact O-N 3.24Å
274I92.2Very high91.2Very high109 Ų109103.7 Ų103.756%0.55950%0.502SS*.Hα-helixtrans-62.1-47.2176.3-67.1165.3000110.3K270 R271 L272 I276 K277 E278K270-I274 WeakPolarHBondContact O-CG1 3.25Å; K270-I274 PolarHBondContact O-N 3.43Å; K270-I274 VanDerWaalsContact O-N 3.09Å; R271-I274 PolarHBondContact O-N 3.19Å; L272-I274 VanDerWaalsContact C-N 3.3Å; L272-I274 PolarHBondContact O-N 2.96Å; I274-I276 VanDerWaalsContact C-N 3.33Å; I274-I276 PolarHBondContact O-N 3.46Å; I274-K277 PolarHBondContact O-N 3.27Å; I274-E278 PolarHBondContact O-N 3.1Å
275Q93.7Very high91.7Very high91 Ų91103.3 Ų103.343%0.42550%0.5SS..Hα-helixtrans-61.9-39.2178.1-70.7178.2200112.5R271 L272 E278 A279R271-Q275 WeakPolarHBondContact O-CG 3.44Å; R271-Q275 PolarHBondContact O-N 3.25Å; L272-Q275 PolarHBondContact O-N 3.27Å; Q275-E278 PolarHBondContact O-N 2.93Å; Q275-A279 WeakPolarHBondContact O-CB 3.32Å; Q275-A279 PolarHBondContact O-N 3.03Å
276I92.6Very high91.7Very high82 Ų82104.5 Ų104.542%0.42151%0.507SS..Hα-helixtrans-63.3-44.8175.9-70167.2000110.5L272 I273 I274 A279 Q280L272-I276 HydrophobicContact CD1-CD1 4.49Å; L272-I276 HydrophobicContact CG-CD1 4.03Å; L272-I276 WeakPolarHBondContact O-CG1 3.41Å; L272-I276 PolarHBondContact O-N 2.69Å; I273-I276 PolarHBondContact O-N 3Å; I274-I276 VanDerWaalsContact C-N 3.33Å; I274-I276 PolarHBondContact O-N 3.46Å; I276-A279 PolarHBondContact O-N 2.98Å; I276-Q280 HydrophobicContact CG2-CG 4.47Å; I276-Q280 WeakPolarHBondContact O-CB 3.41Å; I276-Q280 VanDerWaalsContact O-CG 3.27Å; I276-Q280 WeakPolarHBondContact O-CG 3.44Å; I276-Q280 PolarHBondContact O-N 3.33Å
277K94.9Very high91.8Very high138 Ų138104.1 Ų104.160%0.650%0.503SS*.Hα-helixtrans-62.6-42.3177.4-75.4-178.1177.6-175.70112I273 I274 Q280 L281I273-K277 HydrophobicContact CG2-CD 4.48Å; I273-K277 WeakPolarHBondContact O-CG 3.42Å; I273-K277 PolarHBondContact O-N 3.24Å; I274-K277 PolarHBondContact O-N 3.27Å; K277-Q280 PolarHBondContact O-N 3.34Å; K277-L281 PolarHBondContact O-N 3.13Å
278E92.9Very high91.9Very high105 Ų105103.8 Ų103.849%0.49151%0.507SS..Hα-helixtrans-63.1-45.6176.1-173.1179.8-177.700111.5I274 Q275 Q280 L281 L282I274-E278 PolarHBondContact O-N 3.1Å; Q275-E278 PolarHBondContact O-N 2.93Å; E278-Q280 VanDerWaalsContact C-N 3.32Å; E278-Q280 PolarHBondContact O-N 3.42Å; E278-L281 WeakPolarHBondContact O-CB 3.49Å; E278-L281 PolarHBondContact O-N 2.76Å; E278-L282 HydrophobicContact CG-CD1 4.38Å; E278-L282 WeakPolarHBondContact O-CG 3.42Å; E278-L282 PolarHBondContact O-N 2.91Å
279A90.5Very high91.7Very high56 Ų56100.1 Ų100.146%0.46349%0.494SS..Hα-helixtrans-63.1-36.6176.900000112.7Q275 I276 R283Q275-A279 WeakPolarHBondContact O-CB 3.32Å; Q275-A279 PolarHBondContact O-N 3.03Å; I276-A279 PolarHBondContact O-N 2.98Å; A279-R283 WeakPolarHBondContact O-CB 3.37Å; A279-R283 PolarHBondContact O-N 3.3Å
280Q93.6Very high91.5Very high121 Ų121100.6 Ų100.657%0.56549%0.491SS*.Hα-helixtrans-65.9-42.3174.4-75.1173-17.500111.9I276 K277 E278 R283 A284I276-Q280 HydrophobicContact CG2-CG 4.47Å; I276-Q280 WeakPolarHBondContact O-CB 3.41Å; I276-Q280 VanDerWaalsContact O-CG 3.27Å; I276-Q280 WeakPolarHBondContact O-CG 3.44Å; I276-Q280 PolarHBondContact O-N 3.33Å; K277-Q280 PolarHBondContact O-N 3.34Å; E278-Q280 VanDerWaalsContact C-N 3.32Å; E278-Q280 PolarHBondContact O-N 3.42Å; Q280-R283 PolarHBondContact O-N 3.46Å; Q280-A284 PolarHBondContact O-N 2.84Å
281L94Very high90.8Very high122 Ų122100.5 Ų100.564%0.63949%0.492SS*.Hα-helixtrans-60.9-48.5175.4-174.971000111.1K277 E278 R283 A284 E285K277-L281 PolarHBondContact O-N 3.13Å; E278-L281 WeakPolarHBondContact O-CB 3.49Å; E278-L281 PolarHBondContact O-N 2.76Å; L281-R283 VanDerWaalsContact C-N 3.28Å; L281-R283 PolarHBondContact O-N 3.22Å; L281-A284 PolarHBondContact O-N 2.62Å; L281-A284 VanDerWaalsContact O-N 3.16Å; L281-E285 PolarHBondContact O-N 2.91Å
282L94.1Very high90.4Very high65 Ų6599.9 Ų99.934%0.3449%0.49SS..Hα-helixtrans-60.2-37.8177.2-72.4171.1000112.2L180 E278 E285 L286L180-L282 HydrophobicContact CD1-CD2 4.39Å; E278-L282 HydrophobicContact CG-CD1 4.38Å; E278-L282 WeakPolarHBondContact O-CG 3.42Å; E278-L282 PolarHBondContact O-N 2.91Å; L282-E285 PolarHBondContact O-N 3.4Å; L282-L286 WeakPolarHBondContact O-CB 3.38Å; L282-L286 PolarHBondContact O-N 2.99Å
283R91.3Very high89.6Confident200 Ų200100 Ų10076%0.75549%0.491SS*.Hα-helixtrans-65.9-40.9176.3-166.9175.8-166.21593.5112A279 Q280 L281 L286 E287A279-R283 WeakPolarHBondContact O-CB 3.37Å; A279-R283 PolarHBondContact O-N 3.3Å; Q280-R283 PolarHBondContact O-N 3.46Å; L281-R283 VanDerWaalsContact C-N 3.28Å; L281-R283 PolarHBondContact O-N 3.22Å; R283-L286 PolarHBondContact O-N 3.32Å; R283-E287 WeakPolarHBondContact O-CB 3.37Å; R283-E287 PolarHBondContact O-N 2.84Å
284A88.4Confident88.5Confident56 Ų56100.5 Ų100.546%0.46349%0.493SS..Hα-helixtrans-65-39.7175.600000111.9Q280 L281 E287 T288Q280-A284 PolarHBondContact O-N 2.84Å; L281-A284 PolarHBondContact O-N 2.62Å; L281-A284 VanDerWaalsContact O-N 3.16Å; A284-E287 PolarHBondContact O-N 3.5Å; A284-T288 PolarHBondContact O-N 3.15Å; A284-T288 PolarHBondContact O-OG1 3.46Å
285E92Very high87.8Confident102 Ų102103.3 Ų103.348%0.47750%0.504SS..Hα-helixtrans-67.1-41.6176.1-170.6174.3-171.500112.1L281 L282 T288 C289L281-E285 PolarHBondContact O-N 2.91Å; L282-E285 PolarHBondContact O-N 3.4Å; E285-T288 WeakPolarHBondContact O-CB 3.38Å; E285-T288 PolarHBondContact O-N 3.49Å; E285-C289 WeakPolarHBondContact O-CB 3.41Å; E285-C289 PolarHBondContact O-N 3.22Å
286L88.3Confident86.9Confident118 Ų118102.6 Ų102.662%0.61851%0.51SS*.Hα-helixtrans-64.1-40.3175.4-171.1145.3000111.6L282 R283 T288 C289 R290L282-L286 WeakPolarHBondContact O-CB 3.38Å; L282-L286 PolarHBondContact O-N 2.99Å; R283-L286 PolarHBondContact O-N 3.32Å; L286-T288 VanDerWaalsContact C-N 3.33Å; L286-C289 WeakPolarHBondContact O-CB 3.46Å; L286-C289 PolarHBondContact O-N 3.43Å; L286-R290 WeakPolarHBondContact O-CB 3.49Å; L286-R290 PolarHBondContact O-N 3.03Å
287E87Confident85.7Confident63 Ų63102.7 Ų102.729%0.29451%0.51SS..Hα-helixtrans-64.2-40.2175-16956.8-136.800111.4R283 A284 C289 R290 H291R283-E287 WeakPolarHBondContact O-CB 3.37Å; R283-E287 PolarHBondContact O-N 2.84Å; A284-E287 PolarHBondContact O-N 3.5Å; E287-C289 VanDerWaalsContact C-N 3.34Å; E287-C289 PolarHBondContact O-N 2.88Å; E287-R290 WeakPolarHBondContact O-CB 3.42Å; E287-R290 PolarHBondContact O-N 3.33Å; E287-R290 IonicContact OE1-CZ 3Å; E287-R290 IonicContact OE1-NE 2.78Å; E287-R290 PolarHBondContact OE1-NE 2.88Å; E287-R290 IonicContact OE1-NH2 2.65Å; E287-R290 PolarHBondContact OE1-NH2 2.92Å; E287-R290 IonicContact OE2-CZ 3.76Å; E287-R290 IonicContact OE2-NE 3.51Å; E287-R290 IonicContact OE2-NH2 3.89Å; E287-H291 PolarHBondContact O-CD2 3.25Å; E287-H291 PolarHBondContact O-N 2.92Å; E287-H291 IonicContact OE1-CD2 2.79Å; E287-H291 IonicContact OE1-CE1 3.25Å; E287-H291 IonicContact OE1-NE2 2.84Å; E287-H291 PolarHBondContact OE1-NE2 3.4Å
288T88.7Confident84.1Confident72 Ų7298 Ų9844%0.44249%0.494SS..Hα-helixtrans-63.2-41.3173.5-56.50000111.4A284 E285 L286 H291 R292A284-T288 PolarHBondContact O-N 3.15Å; A284-T288 PolarHBondContact O-OG1 3.46Å; E285-T288 WeakPolarHBondContact O-CB 3.38Å; E285-T288 PolarHBondContact O-N 3.49Å; L286-T288 VanDerWaalsContact C-N 3.33Å; T288-H291 PolarHBondContact O-N 3.4Å; T288-R292 WeakPolarHBondContact O-CG 3.49Å; T288-R292 PolarHBondContact O-N 2.94Å
289C86.3Confident82.4Confident47 Ų4797.3 Ų97.332%0.31852%0.515SS..Hα-helixtrans-62.3-44.8174.1-168.70000111.4E285 L286 E287 H291 R292 L293E285-C289 WeakPolarHBondContact O-CB 3.41Å; E285-C289 PolarHBondContact O-N 3.22Å; L286-C289 WeakPolarHBondContact O-CB 3.46Å; L286-C289 PolarHBondContact O-N 3.43Å; E287-C289 VanDerWaalsContact C-N 3.34Å; E287-C289 PolarHBondContact O-N 2.88Å; C289-H291 PolarHBondContact O-N 3.08Å; C289-R292 PolarHBondContact O-N 2.92Å; C289-L293 WeakPolarHBondContact O-CB 3.33Å; C289-L293 PolarHBondContact O-N 3.35Å
290R86.6Confident80.9Confident126 Ų126100.1 Ų100.148%0.47552%0.518SS..Hα-helixtrans-58.4-47175.5-170.6-174.680.2145.83.1111.4L286 E287 L293 L294L286-R290 WeakPolarHBondContact O-CB 3.49Å; L286-R290 PolarHBondContact O-N 3.03Å; E287-R290 WeakPolarHBondContact O-CB 3.42Å; E287-R290 PolarHBondContact O-N 3.33Å; E287-R290 IonicContact OE1-CZ 3Å; E287-R290 IonicContact OE1-NE 2.78Å; E287-R290 PolarHBondContact OE1-NE 2.88Å; E287-R290 IonicContact OE1-NH2 2.65Å; E287-R290 PolarHBondContact OE1-NH2 2.92Å; E287-R290 IonicContact OE2-CZ 3.76Å; E287-R290 IonicContact OE2-NE 3.51Å; E287-R290 IonicContact OE2-NH2 3.89Å; R290-L293 PolarHBondContact O-N 3.25Å; R290-L294 HydrophobicContact CG-CD1 4.19Å; R290-L294 WeakPolarHBondContact O-CG 3.49Å; R290-L294 PolarHBondContact O-N 3.36Å
291H78.4Confident79Confident107 Ų10799.4 Ų99.450%0.49552%0.517SS..Hα-helixtrans-61.3-45.9177.2-81.5-64.1000112.4E287 T288 C289 L293 L294 E295E287-H291 PolarHBondContact O-CD2 3.25Å; E287-H291 PolarHBondContact O-N 2.92Å; E287-H291 IonicContact OE1-CD2 2.79Å; E287-H291 IonicContact OE1-CE1 3.25Å; E287-H291 IonicContact OE1-NE2 2.84Å; E287-H291 PolarHBondContact OE1-NE2 3.4Å; T288-H291 PolarHBondContact O-N 3.4Å; C289-H291 PolarHBondContact O-N 3.08Å; H291-L293 VanDerWaalsContact C-N 3.3Å; H291-L293 PolarHBondContact O-N 2.8Å; H291-L294 PolarHBondContact O-N 2.97Å; H291-E295 WeakPolarHBondContact O-CB 3.3Å; H291-E295 PolarHBondContact O-N 2.81Å
292R82.9Confident77Confident140 Ų140101.2 Ų101.253%0.52852%0.52SS..Hα-helixtrans-61.5-38.3175.3-72.6-174.5-63.2-153.6-0.2112.4T288 C289 S296T288-R292 WeakPolarHBondContact O-CG 3.49Å; T288-R292 PolarHBondContact O-N 2.94Å; C289-R292 PolarHBondContact O-N 2.92Å; R292-S296 WeakPolarHBondContact O-CB 3.3Å; R292-S296 PolarHBondContact O-N 3.06Å
293L78.9Confident74.9Confident99 Ų99102 Ų10252%0.51853%0.53SS..Hα-helixtrans-65.6-46.7176.2-171.968.6000110.5C289 R290 H291 E295 S296 I297C289-L293 WeakPolarHBondContact O-CB 3.33Å; C289-L293 PolarHBondContact O-N 3.35Å; R290-L293 PolarHBondContact O-N 3.25Å; H291-L293 VanDerWaalsContact C-N 3.3Å; H291-L293 PolarHBondContact O-N 2.8Å; L293-E295 VanDerWaalsContact C-N 3.34Å; L293-E295 PolarHBondContact O-N 2.89Å; L293-S296 WeakPolarHBondContact O-CB 3.32Å; L293-S296 PolarHBondContact O-N 3.39Å; L293-S296 VanDerWaalsContact O-N 3.15Å; L293-S296 PolarHBondContact O-OG 3.19Å; L293-I297 WeakPolarHBondContact O-CG1 3.4Å; L293-I297 PolarHBondContact O-N 3.43Å
294L72Confident73.1Confident91 Ų9197.5 Ų97.548%0.47652%0.521SS..Hα-helixtrans-63.5-38.1177-70174.3000112.4R290 H291 S296 I297R290-L294 HydrophobicContact CG-CD1 4.19Å; R290-L294 WeakPolarHBondContact O-CG 3.49Å; R290-L294 PolarHBondContact O-N 3.36Å; H291-L294 PolarHBondContact O-N 2.97Å; L294-S296 VanDerWaalsContact C-N 3.3Å; L294-S296 PolarHBondContact O-N 3.44Å; L294-I297 HydrophobicContact CD2-CD1 4.02Å; L294-I297 WeakPolarHBondContact O-CB 3.26Å; L294-I297 PolarHBondContact O-N 3.17Å
295E77Confident71.2Confident168 Ų16899.4 Ų99.479%0.78553%0.526SS*.Hα-helixtrans-67.7-31.9174.4-171.7-179.4-176.800112H291 L293 I297H291-E295 WeakPolarHBondContact O-CB 3.3Å; H291-E295 PolarHBondContact O-N 2.81Å; L293-E295 VanDerWaalsContact C-N 3.34Å; L293-E295 PolarHBondContact O-N 2.89Å; E295-I297 PolarHBondContact O-N 2.93Å
296S74.3Confident69.1Low77 Ų7797.5 Ų97.554%0.53852%0.522SS..Hα-helixtrans-71.3-17.1174.177.60000113.4R292 L293 L294 P298R292-S296 WeakPolarHBondContact O-CB 3.3Å; R292-S296 PolarHBondContact O-N 3.06Å; L293-S296 WeakPolarHBondContact O-CB 3.32Å; L293-S296 PolarHBondContact O-N 3.39Å; L293-S296 VanDerWaalsContact O-N 3.15Å; L293-S296 PolarHBondContact O-OG 3.19Å; L294-S296 VanDerWaalsContact C-N 3.3Å; L294-S296 PolarHBondContact O-N 3.44Å; S296-P298 VanDerWaalsContact O-CD 3.3Å; S296-P298 WeakPolarHBondContact O-CD 3.48Å
297I68.2Low67.2Low83 Ų8398.3 Ų98.343%0.42652%0.522SS..SBendtrans-77.1117173.2-61.2170.7000108L293 L294 E295 G299 I301L293-I297 WeakPolarHBondContact O-CG1 3.4Å; L293-I297 PolarHBondContact O-N 3.43Å; L294-I297 HydrophobicContact CD2-CD1 4.02Å; L294-I297 WeakPolarHBondContact O-CB 3.26Å; L294-I297 PolarHBondContact O-N 3.17Å; E295-I297 PolarHBondContact O-N 2.93Å; I297-G299 PolarHBondContact O-N 3.28Å; I297-I301 HydrophobicContact CG2-CD1 4.29Å
298P60.2Low65.3Low41 Ų4199.8 Ų99.827%0.26653%0.532SS..  trans-61.5128.6175.8-17.729.7000110.8S296 H300 I301S296-P298 VanDerWaalsContact O-CD 3.3Å; S296-P298 WeakPolarHBondContact O-CD 3.48Å; P298-H300 WeakPolarHBondContact CB-CE1 3.35Å; P298-H300 PolarHBondContact O-N 3.48Å; P298-I301 HydrophobicContact CB-CG1 4.5Å; P298-I301 HydrophobicContact CG-CD1 4.31Å; P298-I301 PolarHBondContact O-N 2.92Å
299G58.3Low63.4Low90 Ų90100.9 Ų100.993%0.92853%0.534SS*.THydrogen-bonded Turntrans-61.9-3.7-176.900000116.2I297I297-G299 PolarHBondContact O-N 3.28Å
300H59.4Low61.5Low114 Ų114104 Ų10453%0.52855%0.547SS..THydrogen-bonded Turntrans-100.72.3176.559.7-94.9000113.8F153 P298 K302F153-H300 AromaticContact CE1-CD2 3.93Å; F153-H300 AromaticContact CE1-NE2 3.28Å; F153-H300 VanDerWaalsContact CE1-NE2 3.28Å; F153-H300 WeakPolarHBondContact CE1-NE2 3.38Å; F153-H300 AromaticContact CZ-NE2 3.84Å; P298-H300 WeakPolarHBondContact CB-CE1 3.35Å; P298-H300 PolarHBondContact O-N 3.48Å; H300-K302 PolarHBondContact O-N 3.31Å
301I53.6Low59.7Low106 Ų106102.1 Ų102.154%0.54455%0.546SS..  trans-71.579.3164.4-57.4179.6000106.8I297 P298 C303I297-I301 HydrophobicContact CG2-CD1 4.29Å; P298-I301 HydrophobicContact CB-CG1 4.5Å; P298-I301 HydrophobicContact CG-CD1 4.31Å; P298-I301 PolarHBondContact O-N 2.92Å; I301-C303 PolarHBondContact O-N 3.34Å; I301-C303 VanDerWaalsContact O-N 3.13Å
302K51.5Low58.4Low161 Ų161102.9 Ų102.970%0.755%0.548SS*.  trans-59.3115.7161.5-77.8-171.2174.2-170.80106.4H300 D304H300-K302 PolarHBondContact O-N 3.31Å; K302-D304 PolarHBondContact O-N 3.44Å
303C50Low56.7Low82 Ų82100.9 Ų100.955%0.55455%0.547SS*.  trans-75.254.9174-148.20000109.2I301 V305 T306I301-C303 PolarHBondContact O-N 3.34Å; I301-C303 VanDerWaalsContact O-N 3.13Å; C303-V305 PolarHBondContact O-N 2.81Å; C303-T306 PolarHBondContact O-OG1 3.14Å; C303-T306 PolarHBondContact SG-OG1 3.4Å
304D52.4Low55.2Low105 Ų10598.1 Ų98.156%0.56154%0.542SS*.  trans-75.8-15.9179.1-69.2-17.8000110.7K302K302-D304 PolarHBondContact O-N 3.44Å
305V48.8Very low54.1Low96 Ų96100.3 Ų100.358%0.58254%0.544SS*.Hα-helixtrans-82.1-26-175.3-175.10000113.1C303 H307 N308 I309C303-V305 PolarHBondContact O-N 2.81Å; V305-H307 PolarHBondContact O-N 2.99Å; V305-N308 PolarHBondContact O-N 2.95Å; V305-N308 VanDerWaalsContact O-N 3.1Å; V305-I309 HydrophobicContact CG1-CD1 3.92Å; V305-I309 HydrophobicContact CG1-CG1 4.16Å; V305-I309 PolarHBondContact O-N 3.23Å
306T48.5Very low52.7Low62 Ų6298 Ų9838%0.3854%0.538SS..Hα-helixtrans-65.3-29.4174.929.50000111.9C303 N308 I310C303-T306 PolarHBondContact O-OG1 3.14Å; C303-T306 PolarHBondContact SG-OG1 3.4Å; T306-N308 VanDerWaalsContact C-N 3.35Å; T306-I310 WeakPolarHBondContact O-CB 3.26Å; T306-I310 WeakPolarHBondContact O-CG1 3.49Å; T306-I310 PolarHBondContact O-N 2.78Å
307H48Very low51.3Low135 Ų135103.2 Ų103.263%0.62555%0.551SS**Hα-helixtrans-66.5-38.6172.8-75.556.9000111V305 D311V305-H307 PolarHBondContact O-N 2.99Å; H307-D311 WeakPolarHBondContact O-CB 3.44Å; H307-D311 PolarHBondContact O-N 3.34Å
308N47Very low50.2Low94 Ų94104.5 Ų104.550%0.50356%0.562SS.*Hα-helixtrans-72.7-38.1178.2-98-60.6000114.5V305 T306 K312V305-N308 PolarHBondContact O-N 2.95Å; V305-N308 VanDerWaalsContact O-N 3.1Å; T306-N308 VanDerWaalsContact C-N 3.35Å; N308-K312 VanDerWaalsContact O-CB 3.26Å; N308-K312 WeakPolarHBondContact O-CB 3.32Å; N308-K312 VanDerWaalsContact O-CG 3.25Å; N308-K312 WeakPolarHBondContact O-CG 3.38Å; N308-K312 PolarHBondContact O-N 2.87Å
309I49.2Very low49.2Very low95 Ų95108.9 Ų108.949%0.48758%0.583SS.*Hα-helixtrans-75.6-41.7179.9-60.4174.7000110.3V305 K312 L313V305-I309 HydrophobicContact CG1-CD1 3.92Å; V305-I309 HydrophobicContact CG1-CG1 4.16Å; V305-I309 PolarHBondContact O-N 3.23Å; I309-K312 PolarHBondContact O-N 3.12Å; I309-L313 HydrophobicContact CG2-CD1 3.92Å; I309-L313 HydrophobicContact CG2-CG 4.37Å; I309-L313 WeakPolarHBondContact O-CB 3.28Å; I309-L313 VanDerWaalsContact O-CG 3.29Å; I309-L313 WeakPolarHBondContact O-CG 3.44Å; I309-L313 PolarHBondContact O-N 3.35Å
310I46.3Very low48.2Very low113 Ų113111.9 Ų111.958%0.57958%0.578SS**Hα-helixtrans-66.5-39176-64.4171.4000110.3T306 L313 G314T306-I310 WeakPolarHBondContact O-CB 3.26Å; T306-I310 WeakPolarHBondContact O-CG1 3.49Å; T306-I310 PolarHBondContact O-N 2.78Å; I310-L313 PolarHBondContact O-N 2.82Å; I310-G314 WeakPolarHBondContact O-CA 3.39Å; I310-G314 PolarHBondContact O-N 3.23Å
311D48.8Very low46.9Very low85 Ų85113.2 Ų113.246%0.45559%0.589SS.*Hα-helixtrans-69.3-36.3175.3-74.2-15.9000112.7H307 G314 R315H307-D311 WeakPolarHBondContact O-CB 3.44Å; H307-D311 PolarHBondContact O-N 3.34Å; D311-G314 PolarHBondContact O-N 3.47Å; D311-R315 WeakPolarHBondContact O-CG 3.26Å; D311-R315 PolarHBondContact O-N 3.43Å
312K51.4Low45.9Very low124 Ų124116.4 Ų116.454%0.53960%0.602SS.*Hα-helixtrans-64.5-48.5173.6-82.3175.1177.5-117.50110.9N308 I309 G314 R315 D316N308-K312 VanDerWaalsContact O-CB 3.26Å; N308-K312 WeakPolarHBondContact O-CB 3.32Å; N308-K312 VanDerWaalsContact O-CG 3.25Å; N308-K312 WeakPolarHBondContact O-CG 3.38Å; N308-K312 PolarHBondContact O-N 2.87Å; I309-K312 PolarHBondContact O-N 3.12Å; K312-G314 VanDerWaalsContact C-N 3.28Å; K312-G314 PolarHBondContact O-N 2.83Å; K312-R315 PolarHBondContact O-N 3.05Å; K312-D316 PolarHBondContact O-N 3.14Å
313L46.5Very low44.7Very low97 Ų97116.7 Ų116.751%0.50861%0.61SS.*Hα-helixtrans-62.6-36.6175.2-70.7170.5000111.7I309 I310 R315 D316 F317I309-L313 HydrophobicContact CG2-CD1 3.92Å; I309-L313 HydrophobicContact CG2-CG 4.37Å; I309-L313 WeakPolarHBondContact O-CB 3.28Å; I309-L313 VanDerWaalsContact O-CG 3.29Å; I309-L313 WeakPolarHBondContact O-CG 3.44Å; I309-L313 PolarHBondContact O-N 3.35Å; I310-L313 PolarHBondContact O-N 2.82Å; L313-R315 VanDerWaalsContact C-N 3.34Å; L313-R315 PolarHBondContact O-N 3.46Å; L313-D316 PolarHBondContact O-N 3.31Å; L313-F317 VanDerWaalsContact O-CD2 3.29Å; L313-F317 WeakPolarHBondContact O-CD2 3.19Å
314G47.6Very low43.7Very low41 Ų41118.1 Ų118.142%0.42362%0.616SS.*Hα-helixtrans-65.5-33.5176.900000113.3I310 D311 K312I310-G314 WeakPolarHBondContact O-CA 3.39Å; I310-G314 PolarHBondContact O-N 3.23Å; D311-G314 PolarHBondContact O-N 3.47Å; K312-G314 VanDerWaalsContact C-N 3.28Å; K312-G314 PolarHBondContact O-N 2.83Å
315R49.1Very low42.3Very low138 Ų138118 Ų11852%0.52162%0.62SS.*Hα-helixtrans-77.5-31.4176.3-73-165.6-60.2-93.32.1113.4D311 K312 L313 F317 V318D311-R315 WeakPolarHBondContact O-CG 3.26Å; D311-R315 PolarHBondContact O-N 3.43Å; K312-R315 PolarHBondContact O-N 3.05Å; L313-R315 VanDerWaalsContact C-N 3.34Å; L313-R315 PolarHBondContact O-N 3.46Å; R315-F317 PolarHBondContact O-N 2.84Å; R315-V318 PolarHBondContact O-N 2.79Å; R315-V318 VanDerWaalsContact O-N 3.09Å
316D48.8Very low41.2Very low120 Ų120120 Ų12064%0.64263%0.632SS**Hα-helixtrans-64.3-22.8177.9-67.4-16.2000112.2K312 L313K312-D316 PolarHBondContact O-N 3.14Å; L313-D316 PolarHBondContact O-N 3.31Å
317F44.5Very low40Very low186 Ų186121.7 Ų121.782%0.81664%0.643SS**THydrogen-bonded Turntrans-84.5-11174.7-77.5-73.8000115.3L313 R315L313-F317 VanDerWaalsContact O-CD2 3.29Å; L313-F317 WeakPolarHBondContact O-CD2 3.19Å; R315-F317 PolarHBondContact O-N 2.84Å
318V44.9Very low39Very low110 Ų110120.3 Ų120.367%0.66765%0.648SS**THydrogen-bonded Turntrans-110.2-18.2-171.7-178.10000114.2R315R315-V318 PolarHBondContact O-N 2.79Å; R315-V318 VanDerWaalsContact O-N 3.09Å
319N38.2Very low37.9Very low132 Ų132122.1 Ų122.171%0.70666%0.658SS**  trans-112.545.2-169.3-93.70.5000116.5N321N319-N321 VanDerWaalsContact C-N 3.25Å; N319-N321 PolarHBondContact O-N 2.98Å
320N38.1Very low36.9Very low153 Ų153125.1 Ų125.182%0.81868%0.675SS**  trans-83.17.6167.4-83.6-9.1000114.8
321N32.4Very low36Very low142 Ų142126.2 Ų126.276%0.75969%0.687SS**SBendtrans-121.676.4177.8-71.8-14.6000111.3N319N319-N321 VanDerWaalsContact C-N 3.25Å; N319-N321 PolarHBondContact O-N 2.98Å
322Q32Very low34.8Very low173 Ų173126.3 Ų126.381%0.80870%0.7SS**  trans17389.3136.2-94.9172.38500110.4T324Q322-T324 PolarHBondContact O-N 2.87Å
323L26.7Very low33.7Very low167 Ų167128.4 Ų128.487%0.87472%0.716SS**  trans-71.394.1158.818069.9000108
324T27.8Very low32.7Very low112 Ų112134.2 Ų134.269%0.68774%0.738SS**  trans-109.294.416143.90000109.2Q322 T326Q322-T324 PolarHBondContact O-N 2.87Å; T324-T326 PolarHBondContact O-N 3.15Å
325T24.4Very low31.8Very low104 Ų104136.1 Ų136.164%0.63875%0.749SS**  trans-26.7118.6154.8-40.10000113.7T327T325-T327 VanDerWaalsContact CG2-OG1 3.27Å; T325-T327 WeakPolarHBondContact CG2-OG1 3.35Å
326T24.7Very low30.7Very low138 Ų138136 Ų13685%0.84776%0.764SS**  trans-12587.1148-21.30000107.8T324 S328T324-T326 PolarHBondContact O-N 3.15Å; T326-S328 PolarHBondContact O-N 3.45Å
327T23.9Very low29.5Very low97 Ų97139.7 Ų139.760%0.59577%0.77SS**  trans-62.3107.3167.8-58.70000108.8T325 N329T325-T327 VanDerWaalsContact CG2-OG1 3.27Å; T325-T327 WeakPolarHBondContact CG2-OG1 3.35Å; T327-N329 WeakPolarHBondContact CG2-OD1 3.35Å
328S26Very low28.6Very low105 Ų105139.2 Ų139.273%0.73477%0.768SS**  trans-108.290.1161.656.60000108.5T326 N330T326-S328 PolarHBondContact O-N 3.45Å; S328-N330 PolarHBondContact O-N 3.1Å
329N24.8Very low27.7Very low133 Ų133141.7 Ų141.771%0.71177%0.772SS**  trans-67.5110.8162.6-65.5-26.9000107.3T327T327-N329 WeakPolarHBondContact CG2-OD1 3.35Å
330N28.9Very low27.2Very low158 Ų158141.1 Ų141.185%0.84577%0.769SS**  trans-132.6111.4161.2-83.3-35.2000109.3S328S328-N330 PolarHBondContact O-N 3.1Å
331T25.6Very low26.7Very low136 Ų136140.1 Ų140.183%0.83476%0.762SS**  trans-56.1150.9175.1-48.60000111.4D333T331-D333 PolarHBondContact O-N 2.88Å
332A24.7Very low26.5Very low87 Ų87138.8 Ų138.872%0.71976%0.76SS**  trans-44.2126.5173.600000113.4
333D27.9Very low26.1Very low167 Ų167138.7 Ų138.789%0.89376%0.759SS**  trans-149.4121.1145.7-96.7-34.1000111.4T331 A335T331-D333 PolarHBondContact O-N 2.88Å; D333-A335 PolarHBondContact O-N 3.31Å
334K25.2Very low26Very low220 Ų220138 Ų13896%0.95776%0.756SS**  trans-82.783.8-177-133.6-178-174.3179.50107.7
335A28.8Very low25.9Very low80 Ų80141.1 Ų141.166%0.66176%0.76SS**  trans-154.8104.5171.200000112.4D333 Y337D333-A335 PolarHBondContact O-N 3.31Å; A335-Y337 PolarHBondContact O-N 3.03Å; A335-Y337 VanDerWaalsContact O-N 3.11Å
336T27.1Very low26Very low136 Ų136143.5 Ų143.583%0.83477%0.768SS**  trans30.171.2139.7-41.70000116.8K338T336-K338 PolarHBondContact O-N 3.41Å
337Y23.8Very low25.9Very low197 Ų197141.8 Ų141.877%0.77376%0.757SS**  trans-85.791.4168-156-98.5000109.8A335 Q339A335-Y337 PolarHBondContact O-N 3.03Å; A335-Y337 VanDerWaalsContact O-N 3.11Å; Y337-Q339 PolarHBondContact O-N 3.13Å
338K25.6Very low25.9Very low176 Ų176143 Ų14377%0.76577%0.77SS**  trans-62.5127.3165.7-89.2-177.8172.1-178.80109.6T336T336-K338 PolarHBondContact O-N 3.41Å
339Q26.2Very low25.9Very low162 Ų162143.3 Ų143.376%0.75777%0.772SS**  trans23.596.9146.8-68.2-172.9-27.300117.1Y337Y337-Q339 PolarHBondContact O-N 3.13Å
340N26.5Very low25.8Very low121 Ų121141.7 Ų141.765%0.64777%0.771SS**  trans-118.574.7141.9-95.2-37.4000107.6T342N340-T342 PolarHBondContact O-N 2.84Å; N340-T342 VanDerWaalsContact O-N 3.09Å
341I27.6Very low25.7Very low131 Ų131140 Ų14067%0.67277%0.771SS**  trans-7686.9159.7-63.8171.8000104.7Q343I341-Q343 HydrophobicContact CG2-CG 4.32Å; I341-Q343 PolarHBondContact O-N 3.43Å
342T27.8Very low25.7Very low115 Ų115138.2 Ų138.271%0.70677%0.771SS**  trans-67.695.5165.6-360000105.7N340 L344N340-T342 PolarHBondContact O-N 2.84Å; N340-T342 VanDerWaalsContact O-N 3.09Å; T342-L344 VanDerWaalsContact C-N 3.33Å; T342-L344 PolarHBondContact O-N 3.01Å
343Q24.8Very low25.8Very low171 Ų171138.1 Ų138.180%0.79977%0.765SS**  trans-55.499.6170.9-70.6-177.2-1.800107.7I341 K345I341-Q343 HydrophobicContact CG2-CG 4.32Å; I341-Q343 PolarHBondContact O-N 3.43Å; Q343-K345 PolarHBondContact O-N 2.72Å
344L24.7Very low25.8Very low152 Ų152135.5 Ų135.580%0.79676%0.76SS**  trans-66.894.7164.8-117.6104.7000106.2T342 L346T342-L344 VanDerWaalsContact C-N 3.33Å; T342-L344 PolarHBondContact O-N 3.01Å; L344-L346 PolarHBondContact O-N 3.46Å
345K24.6Very low26.2Very low178 Ų178134.2 Ų134.277%0.77475%0.75SS**  trans-6582.4174.2-174.4178.61801770108.3Q343 T347Q343-K345 PolarHBondContact O-N 2.72Å; K345-T347 HydrophobicContact CD-CG2 4.49Å; K345-T347 HydrophobicContact CG-CG2 4.11Å; K345-T347 PolarHBondContact O-N 3.33Å
346L26.2Very low26.5Very low153 Ų153136.3 Ų136.380%0.80176%0.755SS**  trans-72.689.4164.7-79.6160.1000106.8L344 S348L344-L346 PolarHBondContact O-N 3.46Å; L346-S348 PolarHBondContact O-N 2.86Å
347T24.2Very low27.6Very low103 Ų103133.9 Ų133.963%0.63274%0.74SS**  trans-57.3117.4170.441.40000109.1K345 S349K345-T347 HydrophobicContact CD-CG2 4.49Å; K345-T347 HydrophobicContact CG-CG2 4.11Å; K345-T347 PolarHBondContact O-N 3.33Å; T347-S349 VanDerWaalsContact C-N 3.3Å; T347-S349 PolarHBondContact O-N 3.47Å
348S23.2Very low28.6Very low123 Ų123129.6 Ų129.686%0.8673%0.73SS**  trans-57.286.8169.2-42.60000110.3L346 S350L346-S348 PolarHBondContact O-N 2.86Å; S348-S350 PolarHBondContact O-N 3.19Å
349S25.7Very low29.6Very low111 Ų111129.8 Ų129.878%0.77673%0.731SS**  trans-80.996.6162.354.90000107.6T347T347-S349 VanDerWaalsContact C-N 3.3Å; T347-S349 PolarHBondContact O-N 3.47Å
350S23.8Very low30.6Very low98 Ų98129.5 Ų129.569%0.68573%0.73SS**  trans-37.7131163.746.70000113.6S348S348-S350 PolarHBondContact O-N 3.19Å
351S25.5Very low31.7Very low122 Ų122129.4 Ų129.485%0.85373%0.729SS**  trans62.872.9138.8-420000116.8
352A26.7Very low32.7Very low100 Ų100129.6 Ų129.683%0.82673%0.727SS**  trans-153.8135.7152.900000111.4
353S25.6Very low34.1Very low85 Ų85129.1 Ų129.159%0.59472%0.717SS**  trans93.169.3155.8-164.90000118.3Y355S353-Y355 PolarHBondContact O-N 2.9Å; S353-Y355 VanDerWaalsContact OG-CD2 3.3Å; S353-Y355 WeakPolarHBondContact OG-CD2 3.41Å
354S28.3Very low35.5Very low112 Ų112123.7 Ų123.778%0.78370%0.698SS**  trans-68.553.6156.8-46.80000113.2
355Y32.6Very low37.3Very low193 Ų193122.9 Ų122.976%0.75769%0.688SS**  trans-124.838.3-175.3-58.7-62.5000115.2S353S353-Y355 PolarHBondContact O-N 2.9Å; S353-Y355 VanDerWaalsContact OG-CD2 3.3Å; S353-Y355 WeakPolarHBondContact OG-CD2 3.41Å
356T36.2Very low39.2Very low124 Ų124119.3 Ų119.376%0.76168%0.677SS**SBendtrans-116.2-6.9171.1430000115.5
357T49Very low41.1Very low84 Ų84115.8 Ų115.852%0.51566%0.659SS.*SBendtrans-92.4-12.3-172.844.80000116.5
358N46.2Very low42.9Very low108 Ų108117 Ų11758%0.57866%0.657SS**Hα-helixtrans-80.2-37.2-174.3-72.8-17000114E360 L361 E362N358-E360 VanDerWaalsContact C-N 3.34Å; N358-E360 PolarHBondContact O-N 2.91Å; N358-L361 PolarHBondContact O-N 3.2Å; N358-E362 PolarHBondContact O-N 3.44Å
359K46.1Very low44.8Very low179 Ų179114.5 Ų114.578%0.77863%0.632SS**Hα-helixtrans-67.3-34.8-178.5-74-172.1176.3-177.90112.8Q363K359-Q363 WeakPolarHBondContact O-CB 3.47Å; K359-Q363 PolarHBondContact O-N 3.16Å
360E47Very low47.1Very low156 Ų156112.4 Ų112.473%0.72962%0.618SS**Hα-helixtrans-71-37.4-179.9-125.9173.1-175.600111.8N358 S364N358-E360 VanDerWaalsContact C-N 3.34Å; N358-E360 PolarHBondContact O-N 2.91Å; E360-S364 PolarHBondContact O-N 3.44Å; E360-S364 VanDerWaalsContact O-N 3.08Å
361L49Very low49.2Very low120 Ų120113 Ų11363%0.62861%0.612SS**Hα-helixtrans-70.1-40.2174.5-71.9173.4000112.2N358 S364 F365N358-L361 PolarHBondContact O-N 3.2Å; L361-S364 PolarHBondContact O-N 3.25Å; L361-F365 WeakPolarHBondContact O-CB 3.32Å; L361-F365 PolarHBondContact O-N 3.46Å
362E50.3Low51.3Low134 Ų134111.8 Ų111.863%0.62659%0.594SS**Hα-helixtrans-64.2-40.2175.3-77.3-177.8170.500112.1N358 F365 N366N358-E362 PolarHBondContact O-N 3.44Å; E362-F365 PolarHBondContact O-N 2.86Å; E362-N366 PolarHBondContact O-N 3.46Å
363Q56.4Low53.7Low106 Ų106111.6 Ų111.650%0.49558%0.579SS.*Hα-helixtrans-65.6-45.4177.1-169.26340.800111.4K359 F365 N366 D367K359-Q363 WeakPolarHBondContact O-CB 3.47Å; K359-Q363 PolarHBondContact O-N 3.16Å; Q363-F365 VanDerWaalsContact C-N 3.27Å; Q363-F365 PolarHBondContact O-N 2.9Å; Q363-N366 PolarHBondContact O-N 2.87Å; Q363-D367 PolarHBondContact NE2-OD1 3.23Å; Q363-D367 VanDerWaalsContact NE2-OD1 3.08Å; Q363-D367 VanDerWaalsContact O-CG 3.24Å; Q363-D367 PolarHBondContact O-N 2.86Å
364S53.2Low56.1Low57 Ų57111.1 Ų111.140%0.39957%0.573SS.*Hα-helixtrans-60.2-37176179.20000112.5E360 L361 Q368E360-S364 PolarHBondContact O-N 3.44Å; E360-S364 VanDerWaalsContact O-N 3.08Å; L361-S364 PolarHBondContact O-N 3.25Å; S364-Q368 WeakPolarHBondContact O-CG 3.25Å; S364-Q368 PolarHBondContact O-N 2.69Å; S364-Q368 VanDerWaalsContact O-N 3.17Å
365F63.4Low58Low135 Ų135108.2 Ų108.259%0.59255%0.55SS**Hα-helixtrans-70.3-41.3177.8-171.3-97.1000111.7L361 E362 Q363 Q368 Q369L361-F365 WeakPolarHBondContact O-CB 3.32Å; L361-F365 PolarHBondContact O-N 3.46Å; E362-F365 PolarHBondContact O-N 2.86Å; Q363-F365 VanDerWaalsContact C-N 3.27Å; Q363-F365 PolarHBondContact O-N 2.9Å; F365-Q368 PolarHBondContact O-N 3Å; F365-Q369 WeakPolarHBondContact O-CB 3.45Å; F365-Q369 PolarHBondContact O-N 3.08Å
366N65.1Low60.1Low102 Ų102104.4 Ų104.455%0.54554%0.54SS..Hα-helixtrans-62.8-42.1175-99.4-19.8000112.5E362 Q363 Q369 S370E362-N366 PolarHBondContact O-N 3.46Å; Q363-N366 PolarHBondContact O-N 2.87Å; N366-Q369 PolarHBondContact O-N 3.03Å; N366-S370 WeakPolarHBondContact O-CB 3.21Å; N366-S370 PolarHBondContact O-N 3.22Å
367D66.4Low62.3Low79 Ų79104.2 Ų104.242%0.42253%0.528SS..Hα-helixtrans-65.7-40.9179.5-66.7-16.5000111Q363 S370 I371Q363-D367 PolarHBondContact NE2-OD1 3.23Å; Q363-D367 VanDerWaalsContact NE2-OD1 3.08Å; Q363-D367 VanDerWaalsContact O-CG 3.24Å; Q363-D367 PolarHBondContact O-N 2.86Å; D367-S370 PolarHBondContact O-N 3.09Å; D367-I371 WeakPolarHBondContact O-CD1 3.23Å; D367-I371 VanDerWaalsContact O-CG1 3.27Å; D367-I371 WeakPolarHBondContact O-CG1 3.42Å; D367-I371 PolarHBondContact O-N 3.2Å
368Q60.3Low64Low128 Ų128105 Ų10560%0.59853%0.529SS*.Hα-helixtrans-63.6-42.9174.8-75.3-178.3-1100112.5S364 F365 S370 I371 M372S364-Q368 WeakPolarHBondContact O-CG 3.25Å; S364-Q368 PolarHBondContact O-N 2.69Å; S364-Q368 VanDerWaalsContact O-N 3.17Å; F365-Q368 PolarHBondContact O-N 3Å; Q368-S370 VanDerWaalsContact C-N 3.34Å; Q368-I371 PolarHBondContact O-N 2.86Å; Q368-M372 PolarHBondContact O-N 2.99Å
369Q64.4Low65.5Low71 Ų71107.2 Ų107.233%0.33253%0.529SS..Hα-helixtrans-65.8-38.1177.3-169.564.248.800111.8F365 N366 M372 N373F365-Q369 WeakPolarHBondContact O-CB 3.45Å; F365-Q369 PolarHBondContact O-N 3.08Å; N366-Q369 PolarHBondContact O-N 3.03Å; Q369-M372 PolarHBondContact O-N 3.08Å; Q369-N373 PolarHBondContact NE2-OD1 3.47Å; Q369-N373 VanDerWaalsContact O-CG 3.3Å; Q369-N373 PolarHBondContact O-N 3.31Å
370S73Confident67.2Low68 Ų68104.6 Ų104.648%0.47652%0.519SS..Hα-helixtrans-63.3-44.4175.6-177.60000112.4N366 D367 Q368 M372 N373 T374N366-S370 WeakPolarHBondContact O-CB 3.21Å; N366-S370 PolarHBondContact O-N 3.22Å; D367-S370 PolarHBondContact O-N 3.09Å; Q368-S370 VanDerWaalsContact C-N 3.34Å; S370-M372 PolarHBondContact O-N 2.86Å; S370-N373 PolarHBondContact O-N 2.87Å; S370-T374 WeakPolarHBondContact O-CB 3.39Å; S370-T374 PolarHBondContact O-N 2.97Å; S370-T374 PolarHBondContact O-OG1 2.86Å
371I68.4Low68.7Low110 Ų110104.5 Ų104.556%0.56451%0.513SS*.Hα-helixtrans-64.1-41.8176.7-67.8164.1000110.7D367 Q368 T374 T375D367-I371 WeakPolarHBondContact O-CD1 3.23Å; D367-I371 VanDerWaalsContact O-CG1 3.27Å; D367-I371 WeakPolarHBondContact O-CG1 3.42Å; D367-I371 PolarHBondContact O-N 3.2Å; Q368-I371 PolarHBondContact O-N 2.86Å; I371-T374 PolarHBondContact O-N 3.2Å; I371-T375 WeakPolarHBondContact O-CB 3.48Å; I371-T375 PolarHBondContact O-N 3.13Å; I371-T375 PolarHBondContact O-OG1 2.86Å
372M68.7Low70Confident97 Ų97102.9 Ų102.948%0.47851%0.507SS..Hα-helixtrans-62.4-46.8177.6-175.7166.261.700111.7Q368 Q369 S370 T374 T375 Q376Q368-M372 PolarHBondContact O-N 2.99Å; Q369-M372 PolarHBondContact O-N 3.08Å; S370-M372 PolarHBondContact O-N 2.86Å; M372-T374 PolarHBondContact O-N 3.43Å; M372-T375 PolarHBondContact O-N 2.9Å; M372-Q376 WeakPolarHBondContact O-CG 3.47Å; M372-Q376 PolarHBondContact O-N 3.04Å
373N78.1Confident71.2Confident95 Ų9599.6 Ų99.651%0.50850%0.496SS..Hα-helixtrans-62.5-43.3177.7-71.9-13.1000111.9Q369 S370 T375 Q376 F377Q369-N373 PolarHBondContact NE2-OD1 3.47Å; Q369-N373 VanDerWaalsContact O-CG 3.3Å; Q369-N373 PolarHBondContact O-N 3.31Å; S370-N373 PolarHBondContact O-N 2.87Å; N373-T375 VanDerWaalsContact C-N 3.33Å; N373-T375 PolarHBondContact O-N 2.65Å; N373-Q376 PolarHBondContact O-N 3.38Å; N373-F377 WeakPolarHBondContact O-CB 3.4Å; N373-F377 PolarHBondContact O-N 3.12Å
374T75Confident72.2Confident75 Ų7598.9 Ų98.946%0.4649%0.493SS..Hα-helixtrans-64-40.2178.5-54.90000111.5S370 I371 M372 F377 L378S370-T374 WeakPolarHBondContact O-CB 3.39Å; S370-T374 PolarHBondContact O-N 2.97Å; S370-T374 PolarHBondContact O-OG1 2.86Å; I371-T374 PolarHBondContact O-N 3.2Å; M372-T374 PolarHBondContact O-N 3.43Å; T374-F377 PolarHBondContact O-N 2.98Å; T374-L378 HydrophobicContact CG2-CD1 4.2Å; T374-L378 WeakPolarHBondContact O-CG 3.46Å; T374-L378 PolarHBondContact O-N 2.73Å
375T70Confident72.8Confident51 Ų5198.6 Ų98.631%0.31349%0.494SS..Hα-helixtrans-66.9-41.4178.8-54.30000111.5I371 M372 N373 L378 R379I371-T375 WeakPolarHBondContact O-CB 3.48Å; I371-T375 PolarHBondContact O-N 3.13Å; I371-T375 PolarHBondContact O-OG1 2.86Å; M372-T375 PolarHBondContact O-N 2.9Å; N373-T375 VanDerWaalsContact C-N 3.33Å; N373-T375 PolarHBondContact O-N 2.65Å; T375-L378 PolarHBondContact O-N 2.92Å; T375-R379 WeakPolarHBondContact O-CG 2.91Å; T375-R379 PolarHBondContact O-N 3.34Å
376Q76.8Confident73Confident114 Ų11497.8 Ų97.853%0.53349%0.493SS..Hα-helixtrans-65-42.8175.7-69.2-689.500111.7M372 N373 L378 R379 Q380M372-Q376 WeakPolarHBondContact O-CG 3.47Å; M372-Q376 PolarHBondContact O-N 3.04Å; N373-Q376 PolarHBondContact O-N 3.38Å; Q376-L378 PolarHBondContact O-N 3.22Å; Q376-R379 PolarHBondContact O-N 3.21Å; Q376-Q380 PolarHBondContact O-N 2.73Å
377F82.4Confident73.1Confident120 Ų12099.4 Ų99.453%0.52650%0.498SS..Hα-helixtrans-60.8-42.6176-179-102.7000112.5N373 T374 Q380 R381N373-F377 WeakPolarHBondContact O-CB 3.4Å; N373-F377 PolarHBondContact O-N 3.12Å; T374-F377 PolarHBondContact O-N 2.98Å; F377-Q380 PolarHBondContact O-N 3.49Å; F377-R381 HydrophobicContact CE1-CG 4.19Å; F377-R381 HydrophobicContact CE2-CG 4.48Å; F377-R381 HydrophobicContact CZ-CG 4.13Å; F377-R381 PolarHBondContact O-N 3.31Å
378L82.9Confident72.8Confident100 Ų100102.6 Ų102.652%0.52451%0.514SS..Hα-helixtrans-65.2-41176.1-72.7170.2000112T374 T375 Q376 R381 V382T374-L378 HydrophobicContact CG2-CD1 4.2Å; T374-L378 WeakPolarHBondContact O-CG 3.46Å; T374-L378 PolarHBondContact O-N 2.73Å; T375-L378 PolarHBondContact O-N 2.92Å; Q376-L378 PolarHBondContact O-N 3.22Å; L378-R381 PolarHBondContact O-N 2.99Å; L378-V382 VanDerWaalsContact O-CG2 3.26Å; L378-V382 WeakPolarHBondContact O-CG2 3.47Å; L378-V382 PolarHBondContact O-N 2.69Å
379R79.1Confident72.4Confident155 Ų155103.3 Ų103.359%0.58552%0.522SS*.Hα-helixtrans-61-46.5174.2-72.5-177.2-146-881.2111.3T375 Q376 R381 V382 T383T375-R379 WeakPolarHBondContact O-CG 2.91Å; T375-R379 PolarHBondContact O-N 3.34Å; Q376-R379 PolarHBondContact O-N 3.21Å; R379-R381 PolarHBondContact O-N 3.27Å; R379-V382 PolarHBondContact O-N 2.85Å; R379-T383 PolarHBondContact O-N 2.92Å; R379-T383 PolarHBondContact O-OG1 3.13Å; R379-T383 VanDerWaalsContact O-OG1 3.04Å
380Q80.6Confident71.6Confident123 Ų123111.6 Ų111.658%0.57556%0.557SS**Hα-helixtrans-55-50.6176.7-172.995.529.700111.2Q376 F377 V382 T383 E384Q376-Q380 PolarHBondContact O-N 2.73Å; F377-Q380 PolarHBondContact O-N 3.49Å; Q380-V382 VanDerWaalsContact C-N 3.34Å; Q380-V382 PolarHBondContact O-N 3.11Å; Q380-T383 PolarHBondContact O-N 3.28Å; Q380-E384 WeakPolarHBondContact O-CG 3.08Å; Q380-E384 PolarHBondContact O-N 2.98Å
381R79.7Confident71.5Confident155 Ų155113.8 Ų113.859%0.58556%0.562SS**Hα-helixtrans-65.1-35.7179.5-69.5-161.997.4169.59.4113.4F377 L378 R379 A385F377-R381 HydrophobicContact CE1-CG 4.19Å; F377-R381 HydrophobicContact CE2-CG 4.48Å; F377-R381 HydrophobicContact CZ-CG 4.13Å; F377-R381 PolarHBondContact O-N 3.31Å; L378-R381 PolarHBondContact O-N 2.99Å; R379-R381 PolarHBondContact O-N 3.27Å; R381-A385 VanDerWaalsContact O-CB 3.25Å; R381-A385 WeakPolarHBondContact O-CB 3.31Å; R381-A385 PolarHBondContact O-N 3.09Å
382V77Confident71.7Confident85 Ų85114 Ų11452%0.51556%0.561SS.*Hα-helixtrans-66-42.4175.6170.10000110L378 R379 Q380 A385 M386L378-V382 VanDerWaalsContact O-CG2 3.26Å; L378-V382 WeakPolarHBondContact O-CG2 3.47Å; L378-V382 PolarHBondContact O-N 2.69Å; R379-V382 PolarHBondContact O-N 2.85Å; Q380-V382 VanDerWaalsContact C-N 3.34Å; Q380-V382 PolarHBondContact O-N 3.11Å; V382-A385 PolarHBondContact O-N 3.2Å; V382-M386 WeakPolarHBondContact O-CG 3.1Å; V382-M386 PolarHBondContact O-N 3.49Å
383T74.7Confident71.9Confident65 Ų65114.9 Ų114.940%0.39957%0.566SS.*Hα-helixtrans-62.9-48.2175.8-54.90000111.6R379 Q380 A385 M386 E387R379-T383 PolarHBondContact O-N 2.92Å; R379-T383 PolarHBondContact O-OG1 3.13Å; R379-T383 VanDerWaalsContact O-OG1 3.04Å; Q380-T383 PolarHBondContact O-N 3.28Å; T383-A385 VanDerWaalsContact C-N 3.3Å; T383-A385 PolarHBondContact O-N 3.39Å; T383-M386 PolarHBondContact O-N 3.22Å; T383-E387 PolarHBondContact O-N 3.37Å
384E77.6Confident71.5Confident92 Ų92116.1 Ų116.143%0.4357%0.57SS.*Hα-helixtrans-59.3-39.3176-73.3170.8-169.400112.1Q380 M386 E387 L388Q380-E384 WeakPolarHBondContact O-CG 3.08Å; Q380-E384 PolarHBondContact O-N 2.98Å; E384-M386 VanDerWaalsContact C-N 3.32Å; E384-M386 PolarHBondContact O-N 3.25Å; E384-E387 PolarHBondContact O-N 3.29Å; E384-L388 WeakPolarHBondContact O-CB 3.39Å; E384-L388 PolarHBondContact O-N 3.37Å
385A64.7Low71.3Confident50 Ų50118.7 Ų118.741%0.41358%0.576SS.*Hα-helixtrans-70.5-27.1176.700000113.2R381 V382 T383 N389R381-A385 VanDerWaalsContact O-CB 3.25Å; R381-A385 WeakPolarHBondContact O-CB 3.31Å; R381-A385 PolarHBondContact O-N 3.09Å; V382-A385 PolarHBondContact O-N 3.2Å; T383-A385 VanDerWaalsContact C-N 3.3Å; T383-A385 PolarHBondContact O-N 3.39Å; A385-N389 PolarHBondContact O-ND2 3.17Å
386M68.5Low71.4Confident118 Ų118123.2 Ų123.258%0.58159%0.594SS**Hα-helixtrans-76.6-39.9171.9-71.2-164.4-49.300111.4V382 T383 E384 L388 N389V382-M386 WeakPolarHBondContact O-CG 3.1Å; V382-M386 PolarHBondContact O-N 3.49Å; T383-M386 PolarHBondContact O-N 3.22Å; E384-M386 VanDerWaalsContact C-N 3.32Å; E384-M386 PolarHBondContact O-N 3.25Å; M386-L388 VanDerWaalsContact C-N 3.34Å; M386-N389 PolarHBondContact O-N 3.48Å
387E67.4Low71Confident137 Ų137123.9 Ų123.964%0.6460%0.598SS**Hα-helixtrans-66.5-33.5176.5-73.7-178.3179.400112.4T383 E384 N389 F390T383-E387 PolarHBondContact O-N 3.37Å; E384-E387 PolarHBondContact O-N 3.29Å; E387-N389 VanDerWaalsContact C-N 3.28Å; E387-N389 PolarHBondContact O-N 3.26Å; E387-F390 PolarHBondContact O-N 3.16Å; E387-F390 VanDerWaalsContact O-OXT 3.07Å
388L59.7Low70.1Confident145 Ų145124.2 Ų124.276%0.75960%0.604SS**THydrogen-bonded Turntrans-74.7-12175.5-83.3163.1000114.6E384 M386E384-L388 WeakPolarHBondContact O-CB 3.39Å; E384-L388 PolarHBondContact O-N 3.37Å; M386-L388 VanDerWaalsContact C-N 3.34Å
389N52.7Low69Low143 Ų143126.2 Ų126.277%0.76561%0.61SS**THydrogen-bonded Turntrans-99.43177.1-81.4-56000113.3A385 M386 E387A385-N389 PolarHBondContact O-ND2 3.17Å; M386-N389 PolarHBondContact O-N 3.48Å; E387-N389 VanDerWaalsContact C-N 3.28Å; E387-N389 PolarHBondContact O-N 3.26Å
390F46.7Very low68.1Low246 Ų246123.5 Ų123.5100%1.07961%0.613SS**  trans-112.60166.6-85.4-83.1000109.3E387E387-F390 PolarHBondContact O-N 3.16Å; E387-F390 VanDerWaalsContact O-OXT 3.07Å

Retrieved 390 of 390 residues in 248.7 ms (Link to these results)