G4VFH1_SCHMA Loading...

Nkap_C domain-containing protein

AlphaFold DB , UniProt , Accession G4VFH1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 373 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M45.1Very low52Low245 Ų245180.1 Ų180.1100%1.20785%0.851SS**  094.90-77.2178.5169.900108.1
2V50.4Low52.1Low129 Ų129172.2 Ų172.278%0.78283%0.829SS**  trans-141.1107.7170.6-177.70000106.2I4V2-I4 HydrophobicContact CG1-CG1 4.26Å
3T51.3Low52.1Low129 Ų129169.5 Ų169.579%0.79183%0.834SS**  trans-87.9120.4176.745.10000108.6
4I60.4Low51.9Low131 Ų131169.4 Ų169.467%0.67283%0.827SS**  trans-114.4108.6171.7-60.5177.2000107.9V2 H6V2-I4 HydrophobicContact CG1-CG1 4.26Å; I4-H6 PolarHBondContact O-N 3.27Å; I4-H6 PolarHBondContact O-ND1 3.22Å; I4-H6 VanDerWaalsContact O-ND1 3.17Å
5N59.4Low51.5Low153 Ų153169.8 Ų169.882%0.81883%0.83SS**  trans-64.1122.3178.1-64.5-35.4000110.4
6H49.2Very low50.8Low168 Ų168169.4 Ų169.478%0.77883%0.825SS**  trans-109.898.1171.8-78.170.4000108.8I4I4-H6 PolarHBondContact O-N 3.27Å; I4-H6 PolarHBondContact O-ND1 3.22Å; I4-H6 VanDerWaalsContact O-ND1 3.17Å
7E49.9Very low50.6Low168 Ų168166.1 Ų166.179%0.78582%0.823SS**  trans-15198.1162-72.9-160.7169.400110.5
8R51.3Low50.2Low242 Ų242165.3 Ų165.391%0.91382%0.817SS**  trans-146.4109143.2-72.1-161.4-176.5-170.91107.9
9Y54.4Low50Low208 Ų208164.5 Ų164.582%0.81682%0.816SS**  trans-74.7117.9174.5-80.6-93.7000109.9R11Y9-R11 PolarHBondContact O-N 3.31Å
10D49.8Very low49.7Very low162 Ų162162 Ų16287%0.86682%0.816SS**  trans-69115.9164.3-73-38.3000109.6
11R50.4Low49.2Very low246 Ų246160 Ų16093%0.92882%0.816SS**  trans-86.8110.2169.7-90.1-176.1172.9-166.5-1.6109.5Y9Y9-R11 PolarHBondContact O-N 3.31Å
12S53.1Low49.4Very low85 Ų85153.1 Ų153.159%0.59479%0.79SS**  trans-55.6139.5166.8158.20000112.2F14S12-F14 VanDerWaalsContact C-N 3.26Å; S12-F14 PolarHBondContact O-N 3.23Å; S12-F14 PolarHBondContact OG-N 3.32Å
13P52.8Low49.2Very low137 Ų137153 Ų15389%0.8979%0.79SS**SBendtrans-82.715.418033.7-34000114.6
14F49.5Very low48.6Very low169 Ų169159.1 Ų159.174%0.74180%0.798SS**  trans-122.946-172.6-165.1-101.9000114.2S12S12-F14 VanDerWaalsContact C-N 3.26Å; S12-F14 PolarHBondContact O-N 3.23Å; S12-F14 PolarHBondContact OG-N 3.32Å
15M46Very low47.7Very low175 Ų175162 Ų16286%0.86280%0.801SS**  trans-119.6101.5171.1-88.8-82.9110.800111.1S17M15-S17 PolarHBondContact O-N 2.83Å
16E40.3Very low46.9Very low163 Ų163160 Ų16076%0.76280%0.799SS**  trans-69.3105.9173.7-164.8153.3-171.400109.8Q18E16-Q18 PolarHBondContact O-N 2.9Å
17S46.2Very low46.8Very low113 Ų113160.7 Ų160.779%0.7980%0.796SS**  trans-82.798.7172.563.70000110.1M15M15-S17 PolarHBondContact O-N 2.83Å
18Q44.3Very low46.5Very low152 Ų152155.9 Ų155.971%0.7179%0.791SS**  trans-62.1142.2153.9-67.2-95.7-2300108.6E16E16-Q18 PolarHBondContact O-N 2.9Å
19N46.9Very low46.1Very low151 Ų151153.2 Ų153.281%0.80779%0.789SS**  trans94.397.1169.2-48.2-34.3000117.7
20S42.9Very low45.7Very low114 Ų114151.5 Ų151.580%0.79779%0.794SS**  177.5111.7119.5-1760000110.1
21S39.9Very low45.3Very low119 Ų119148.3 Ų148.383%0.83279%0.79SS**  trans-81.4141.4163.4-65.60000109.1
22P49.6Very low45Very low102 Ų102143.1 Ų143.166%0.66279%0.785SS**  trans-140.4137.1132.831.2-13.9000114.7
23T45.6Very low44.6Very low125 Ų125149.8 Ų149.877%0.76780%0.797SS**  trans66.995.4138.659.60000120.4R25T23-R25 PolarHBondContact O-N 3.18Å
24R38.3Very low44.3Very low258 Ų258152.1 Ų152.197%0.97480%0.796SS**  trans-50116.2147.6-147.4-179.9-167.3-155.33.2110.1
25R42.1Very low43.9Very low192 Ų192151.8 Ų151.873%0.72580%0.802SS**  trans-113.3111.7162-89.3-168.2175.1-162.20110T23 Y27T23-R25 PolarHBondContact O-N 3.18Å; R25-Y27 HydrophobicContact CB-CE2 4.01Å; R25-Y27 VanDerWaalsContact CD-OH 3.26Å; R25-Y27 WeakPolarHBondContact CD-OH 3.33Å; R25-Y27 PolarHBondContact NH1-OH 3.33Å; R25-Y27 VanDerWaalsContact NH1-OH 3.09Å
26S42.3Very low43.9Very low110 Ų110148.1 Ų148.177%0.76980%0.799SS**  trans-69.8132160.550.80000109.8
27Y46.9Very low44.1Very low184 Ų184147.7 Ų147.772%0.72280%0.802SS**  trans-116.3107.8158.5-64.7-77.8000107R25R25-Y27 HydrophobicContact CB-CE2 4.01Å; R25-Y27 VanDerWaalsContact CD-OH 3.26Å; R25-Y27 WeakPolarHBondContact CD-OH 3.33Å; R25-Y27 PolarHBondContact NH1-OH 3.33Å; R25-Y27 VanDerWaalsContact NH1-OH 3.09Å
28G43.9Very low44.1Very low66 Ų66148.3 Ų148.368%0.6881%0.807SS**  trans-79.5163173.100000112.1
29E42.8Very low44.1Very low186 Ų186145 Ų14587%0.86981%0.805SS**  trans1.2126.6156.6-69.3169.3129.800117.9
30N46.3Very low44.1Very low173 Ų173147.3 Ų147.393%0.92581%0.811SS**  trans-147.5109.1141.4-88.9-45.5000109.3
31A41.6Very low44Very low94 Ų94153.4 Ų153.478%0.77782%0.816SS**  trans-115.2103.5167.200000107.6
32V45Very low44.4Very low138 Ų138152.4 Ų152.484%0.83681%0.809SS**  trans-150.2137.2157.1-1770000109.5
33R42.8Very low44.2Very low224 Ų224158 Ų15885%0.84582%0.819SS**  trans-69.5147.4-177-58.6164.8173.4-174.8-4.1112.2
34H47.5Very low44.1Very low187 Ų187155.2 Ų155.287%0.86682%0.815SS**  trans-138120.1149.6-87.9-75.9000110.5
35N41.9Very low44.5Very low161 Ų161149.7 Ų149.786%0.86181%0.81SS**  trans-74.4144.9166.7-73.2-42.8000109.8
36A45Very low44.5Very low98 Ų98145 Ų14581%0.8181%0.806SS**  trans-162.2114.814600000111.2
37D43.7Very low44.6Very low154 Ų154149.6 Ų149.682%0.82481%0.807SS**  trans13.4125.7149.9-68.6-46.1000122.1
38S46.6Very low44.4Very low127 Ų127149.8 Ų149.889%0.88881%0.814SS**  -157113.2124.8-92.10000111.2
39A45.6Very low44.5Very low81 Ų81151.2 Ų151.267%0.66981%0.814SS**  trans-81.9136.117800000111.3
40H45.2Very low44.5Very low201 Ų201149.9 Ų149.993%0.93181%0.813SS**  trans-147.4100.8144.5-87.6-69.3000109.5
41R42Very low44.2Very low242 Ų242152.1 Ų152.191%0.91381%0.808SS**  trans-83.4138.6161.1-79.5177.5167.5-165.9-2.9108.3
42S47.1Very low44.4Very low98 Ų98154 Ų15469%0.68580%0.801SS**  trans-172102.3154.9156.80000112.4
43Y45.5Very low44.3Very low218 Ų218156.5 Ų156.586%0.85580%0.8SS**  trans58.6110.3137.2-51.1-69.8000120.6
44G44.1Very low44.3Very low67 Ų67153.1 Ų153.169%0.69179%0.794SS**  trans-73.2158144.300000111
45V46.6Very low44.1Very low142 Ų142151.3 Ų151.386%0.86179%0.79SS**  trans172.1107.6144.4158.40000108
46S42.8Very low44.3Very low94 Ų94151.2 Ų151.266%0.65779%0.789SS**  76.2143.1127.6-1470000122.4
47R43.9Very low44.2Very low207 Ų207152.3 Ų152.378%0.78179%0.791SS**  trans83.5121.3157.9-41.6-176.5177.2177.3-4.1113.1
48H43.3Very low44.1Very low187 Ų187148.6 Ų148.687%0.86679%0.789SS**  -151.4155.558.4-54.9-54.8000114.1
49S45.4Very low44Very low97 Ų97148.7 Ų148.768%0.67879%0.79SS**  trans-90.5155.5-166.648.30000114.8
50N42.1Very low43.9Very low158 Ų158153.9 Ų153.985%0.84579%0.793SS**  trans61.5121.4145.9-62.4-25.1000118.9
51R41.6Very low43.8Very low219 Ų219149.4 Ų149.483%0.82678%0.784SS**  -171.3116.5103.5-156155.3-176.6176-1.4114
52E44.1Very low43.9Very low134 Ų134145.6 Ų145.663%0.62678%0.775SS**  trans45.5116.9143.5-69163.7147.300122.4
53K44.8Very low43.9Very low190 Ų190145.3 Ų145.383%0.82677%0.773SS**  trans-74139.2149.6-66.1177.6175.1-179.40109.5
54H42.8Very low43.9Very low153 Ų153144.5 Ų144.571%0.70877%0.773SS**  trans-136.1106.8155.7-85.4-74.7000109.6
55D41.9Very low44.1Very low149 Ų149147 Ų14780%0.79778%0.78SS**  trans-84.8117.8156-67.3-55.6000107.1
56L45.9Very low44Very low159 Ų159146.3 Ų146.383%0.83278%0.779SS**  trans-147.1118.9157.8-77.6-178.2000110.6
57S44Very low44.2Very low121 Ų121147.3 Ų147.385%0.84679%0.786SS**  trans-51.5141.5163.551.70000112.8
58G41.3Very low43.9Very low76 Ų76145.9 Ų145.978%0.78479%0.792SS**  trans-169.989169.600000111.8
59S44.4Very low44Very low129 Ų129141.9 Ų141.990%0.90279%0.786SS**  trans-69.3128.6169.7-570000110.8
60Y42.5Very low43.7Very low191 Ų191145 Ų14575%0.74979%0.793SS**  trans-153.2113.4153.5172.3-109.2000110.3K62Y60-K62 HydrophobicContact CE1-CB 4.3Å; Y60-K62 HydrophobicContact CE2-CD 4.4Å; Y60-K62 WeakPolarHBondContact OH-CD 3.42Å
61S43.4Very low43.8Very low106 Ų106142.3 Ų142.374%0.74179%0.787SS**  trans-86.7130.3174-52.30000110
62K44.3Very low44Very low163 Ų163140.5 Ų140.571%0.70979%0.787SS**  trans-163.1110.3144.8-135.8131.3177.1-173.40114.4Y60Y60-K62 HydrophobicContact CE1-CB 4.3Å; Y60-K62 HydrophobicContact CE2-CD 4.4Å; Y60-K62 WeakPolarHBondContact OH-CD 3.42Å
63S47.1Very low44.1Very low92 Ų92143.5 Ų143.564%0.64380%0.798SS**  trans55.1119.7132.762.10000123
64K45.6Very low43.8Very low201 Ų201142.3 Ų142.387%0.87480%0.801SS**  55.1112.8121.3-65.3176.5173.7-178.90118.6
65S49.2Very low43.9Very low118 Ų118143.7 Ų143.783%0.82581%0.808SS**  -178.9146.2108.4-69.80000110.7
66P43.1Very low44Very low129 Ų129139.1 Ų139.184%0.83880%0.796SS**  trans-99.2125.6-175.235.1-25000111.6
67S46.9Very low43.7Very low115 Ų115143.5 Ų143.580%0.80480%0.801SS**  trans-145.7132.9164.4590000111.3S69S67-S69 PolarHBondContact O-N 3.43Å
68L38.3Very low43.9Very low176 Ų176146.2 Ų146.292%0.92180%0.8SS**  trans-56.5120-176.9-66.4145.9000111.6
69S46Very low44.1Very low104 Ų104150.4 Ų150.473%0.72780%0.799SS**  trans-140.5111.5154.962.60000108.4S67 S71S67-S69 PolarHBondContact O-N 3.43Å; S69-S71 PolarHBondContact O-N 3.02Å; S69-S71 VanDerWaalsContact O-N 3.1Å
70I38.7Very low44.4Very low162 Ų162153.7 Ų153.783%0.83180%0.797SS**  trans-50.7111.7162.7-81.585.6000107.2
71S44.8Very low44.6Very low101 Ų101149.9 Ų149.971%0.70679%0.794SS**  trans-150.2122161.9-170.20000108.7S69 K73S69-S71 PolarHBondContact O-N 3.02Å; S69-S71 VanDerWaalsContact O-N 3.1Å; S71-K73 PolarHBondContact O-N 2.95Å
72H44.5Very low44.9Very low182 Ų182151 Ų15184%0.84379%0.791SS**  trans-45.8114.4-173.2-84.2-94000112N74H72-N74 PolarHBondContact O-N 3.43Å
73K46.2Very low45.3Very low197 Ų197151.1 Ų151.186%0.85779%0.794SS**  trans-66.2109.9165.6-75.1-174177.9-178.90108.1S71 E75S71-K73 PolarHBondContact O-N 2.95Å; K73-E75 VanDerWaalsContact C-N 3.29Å; K73-E75 PolarHBondContact O-N 3.16Å
74N39.8Very low45.5Very low164 Ų164154.8 Ų154.888%0.87780%0.799SS**  trans-52.988.2164-144.4-1.1000108.4H72 G76H72-N74 PolarHBondContact O-N 3.43Å; N74-G76 PolarHBondContact O-N 3.46Å
75E44.9Very low46.1Very low183 Ų183150.6 Ų150.686%0.85579%0.786SS**  trans-72.8115.8167.8-82.8-165.7166.900108.3K73 R77K73-E75 VanDerWaalsContact C-N 3.29Å; K73-E75 PolarHBondContact O-N 3.16Å; E75-R77 PolarHBondContact O-N 2.98Å
76G43.7Very low46.5Very low53 Ų53150.2 Ų150.255%0.54677%0.771SS.*  trans-49.9136-178.400000112N74 H78N74-G76 PolarHBondContact O-N 3.46Å; G76-H78 VanDerWaalsContact C-N 3.3Å; G76-H78 PolarHBondContact O-CD2 2.96Å; G76-H78 PolarHBondContact O-N 3.43Å
77R39.8Very low47.4Very low250 Ų250147.5 Ų147.594%0.94375%0.747SS**  trans-4989.2168.2-65.5177.2-176.6-158.80.3110.3E75 H79E75-R77 PolarHBondContact O-N 2.98Å; R77-H79 PolarHBondContact O-N 3.48Å
78H48.2Very low48.3Very low178 Ų178149.6 Ų149.682%0.82474%0.744SS**  trans-76.9121.4164.5-83.6-80.8000108.6G76 K80G76-H78 VanDerWaalsContact C-N 3.3Å; G76-H78 PolarHBondContact O-CD2 2.96Å; G76-H78 PolarHBondContact O-N 3.43Å; H78-K80 PolarHBondContact O-N 3.41Å
79H45.4Very low50.3Low164 Ų164143.4 Ų143.476%0.75971%0.714SS**  trans-36.5110.7179.3-66.2-86.7000113.9R77 T81R77-H79 PolarHBondContact O-N 3.48Å; H79-T81 HydrophobicContact CB-CG2 4.2Å; H79-T81 PolarHBondContact O-N 2.94Å
80K51.1Low51.8Low198 Ų198143.4 Ų143.486%0.86171%0.711SS**  trans-68.277.3160.4-79.3-178.4174.6-179.50108.8H78H78-K80 PolarHBondContact O-N 3.41Å
81T45.4Very low53.8Low112 Ų112140.9 Ų140.969%0.68770%0.696SS**  trans-117.5116.117152.30000108.8H79H79-T81 HydrophobicContact CB-CG2 4.2Å; H79-T81 PolarHBondContact O-N 2.94Å
82N49.6Very low55.5Low129 Ų129138.5 Ų138.569%0.6967%0.673SS**  trans72.156.7167.9-85.7-2000119.4F84N82-F84 PolarHBondContact O-N 3.24Å
83E53.8Low57Low165 Ų165136 Ų13677%0.77166%0.656SS**G310 helixtrans-75.1-10160.9-76.5-176.3149.600113.7N85 H87E83-N85 VanDerWaalsContact C-N 3.32Å; E83-N85 PolarHBondContact O-N 3.18Å; E83-H87 PolarHBondContact O-CE1 2.96Å
84F51.6Low58.8Low170 Ų170132.2 Ų132.275%0.74664%0.642SS**G310 helixtrans-84.29.9-172.3-143.3-95.1000115.6N82 H87N82-F84 PolarHBondContact O-N 3.24Å; F84-H87 VanDerWaalsContact C-CE1 3.47Å; F84-H87 WeakPolarHBondContact CA-NE2 3.48Å; F84-H87 PolarHBondContact O-NE2 2.92Å
85N56.8Low61Low112 Ų112131 Ų13160%0.59963%0.625SS**G310 helixtrans-1270179.5-88.6-46.7000114.3E83 H87E83-N85 VanDerWaalsContact C-N 3.32Å; E83-N85 PolarHBondContact O-N 3.18Å; N85-H87 VanDerWaalsContact C-N 3.27Å; N85-H87 PolarHBondContact O-N 2.88Å
86H58.8Low62.8Low110 Ų110128.3 Ų128.351%0.50961%0.607SS.*G310 helixtrans-81.1-1.3-177-115.759000114.4Q88 F92H86-Q88 VanDerWaalsContact C-N 3.33Å; H86-Q88 PolarHBondContact O-N 3.31Å; H86-F92 WeakPolarHBondContact O-CB 3.37Å; H86-F92 WeakPolarHBondContact O-CG 3.36Å
87H62Low64.5Low73 Ų73132.7 Ų132.734%0.33861%0.607SS.*G310 helixtrans-83.4-5.3-174.3-10.3-65.5000114.1E83 F84 N85 F92E83-H87 PolarHBondContact O-CE1 2.96Å; F84-H87 VanDerWaalsContact C-CE1 3.47Å; F84-H87 WeakPolarHBondContact CA-NE2 3.48Å; F84-H87 PolarHBondContact O-NE2 2.92Å; N85-H87 VanDerWaalsContact C-N 3.27Å; N85-H87 PolarHBondContact O-N 2.88Å; H87-F92 HydrophobicContact CB-CE1 4.19Å; H87-F92 HydrophobicContact CB-CZ 4.24Å; H87-F92 VanDerWaalsContact O-CD1 3.27Å; H87-F92 WeakPolarHBondContact O-CD1 3.4Å; H87-F92 WeakPolarHBondContact O-CE1 3.49Å
88Q66.2Low66.7Low159 Ų159128.2 Ų128.274%0.74359%0.594SS**G310 helixtrans-116.22.9-174.2-60.9-172.219.300113.9H86H86-Q88 VanDerWaalsContact C-N 3.33Å; H86-Q88 PolarHBondContact O-N 3.31Å
89T79.6Confident68.4Low46 Ų46126.3 Ų126.328%0.28259%0.587SS.*SBendtrans-79.2145.517766.40000111E91 F92 W93T89-E91 PolarHBondContact O-N 2.99Å; T89-F92 WeakPolarHBondContact O-CB 3.5Å; T89-F92 PolarHBondContact O-N 3.39Å; T89-F92 VanDerWaalsContact O-N 3.15Å; T89-F92 WeakPolarHBondContact OG1-CB 3.31Å; T89-F92 PolarHBondContact OG1-N 2.87Å; T89-W93 VanDerWaalsContact O-CD1 3.32Å; T89-W93 PolarHBondContact O-N 3.26Å
90P77.7Confident69.9Low103 Ų103125.5 Ų125.567%0.66958%0.578SS**Hα-helixtrans-54.5-35.3172-26.935.2000113F92 W93 E94P90-F92 PolarHBondContact O-N 3.33Å; P90-W93 PolarHBondContact O-N 3.3Å; P90-E94 PolarHBondContact O-N 3.34Å
91E80Confident71.2Confident110 Ų110122.9 Ų122.951%0.51457%0.568SS.*Hα-helixtrans-64.3-38.5177.8-162.2-162.2143.100112.4T89 E94 R95T89-E91 PolarHBondContact O-N 2.99Å; E91-E94 PolarHBondContact O-N 2.88Å; E91-R95 WeakPolarHBondContact O-CB 3.37Å; E91-R95 PolarHBondContact O-N 3.45Å; E91-R95 IonicContact OE1-NH2 2.98Å; E91-R95 PolarHBondContact OE1-NH2 3.45Å
92F81.3Confident72.9Confident51 Ų51127.4 Ų127.422%0.22457%0.573CS.*Hα-helixtrans-61.5-44.3174.3170.5-96.5000111.6H86 H87 T89 P90 R95 R96H86-F92 WeakPolarHBondContact O-CB 3.37Å; H86-F92 WeakPolarHBondContact O-CG 3.36Å; H87-F92 HydrophobicContact CB-CE1 4.19Å; H87-F92 HydrophobicContact CB-CZ 4.24Å; H87-F92 VanDerWaalsContact O-CD1 3.27Å; H87-F92 WeakPolarHBondContact O-CD1 3.4Å; H87-F92 WeakPolarHBondContact O-CE1 3.49Å; T89-F92 WeakPolarHBondContact O-CB 3.5Å; T89-F92 PolarHBondContact O-N 3.39Å; T89-F92 VanDerWaalsContact O-N 3.15Å; T89-F92 WeakPolarHBondContact OG1-CB 3.31Å; T89-F92 PolarHBondContact OG1-N 2.87Å; P90-F92 PolarHBondContact O-N 3.33Å; F92-R95 PolarHBondContact O-N 2.97Å; F92-R96 WeakPolarHBondContact O-CB 3.07Å; F92-R96 PolarHBondContact O-N 2.9Å
93W76.2Confident73.9Confident129 Ų129124.4 Ų124.449%0.48957%0.566SS.*Hα-helixtrans-66.6-37.7177.6-69.6113.5000112.6T89 P90 R96 R97T89-W93 VanDerWaalsContact O-CD1 3.32Å; T89-W93 PolarHBondContact O-N 3.26Å; P90-W93 PolarHBondContact O-N 3.3Å; W93-R96 PolarHBondContact O-N 2.98Å; W93-R97 WeakPolarHBondContact O-CB 3.48Å; W93-R97 PolarHBondContact O-N 3.17Å
94E83.3Confident74.6Confident118 Ų118119.5 Ų119.555%0.55156%0.56SS**Hα-helixtrans-65.2-46.1173.2-80.2177.6-179.200112.3P90 E91 R96 R97 K98P90-E94 PolarHBondContact O-N 3.34Å; E91-E94 PolarHBondContact O-N 2.88Å; E94-R96 VanDerWaalsContact C-N 3.3Å; E94-R96 PolarHBondContact O-N 3.39Å; E94-R97 PolarHBondContact O-N 3Å; E94-K98 WeakPolarHBondContact O-CB 3.45Å; E94-K98 PolarHBondContact O-N 3.39Å
95R85Confident75.4Confident138 Ų138115.4 Ų115.452%0.52156%0.557SS.*Hα-helixtrans-58.4-43175.2-169.1-176.5-60.6176.12.8111.2E91 F92 K98 M99E91-R95 WeakPolarHBondContact O-CB 3.37Å; E91-R95 PolarHBondContact O-N 3.45Å; E91-R95 IonicContact OE1-NH2 2.98Å; E91-R95 PolarHBondContact OE1-NH2 3.45Å; F92-R95 PolarHBondContact O-N 2.97Å; R95-K98 PolarHBondContact O-N 2.92Å; R95-M99 PolarHBondContact O-N 3.43Å
96R84.3Confident75.7Confident127 Ų127113.5 Ų113.548%0.47955%0.553SS.*Hα-helixtrans-68.9-37177.1-165.8170.1-171.8135.20.7112.8F92 W93 E94 M99 R100F92-R96 WeakPolarHBondContact O-CB 3.07Å; F92-R96 PolarHBondContact O-N 2.9Å; W93-R96 PolarHBondContact O-N 2.98Å; E94-R96 VanDerWaalsContact C-N 3.3Å; E94-R96 PolarHBondContact O-N 3.39Å; R96-M99 PolarHBondContact O-N 3.06Å; R96-R100 PolarHBondContact O-N 3.15Å
97R78.4Confident75.9Confident144 Ų144113.3 Ų113.354%0.54356%0.559SS.*Hα-helixtrans-61.9-47.2172.2-171.9-172.6-63.6116-1.1110.5W93 E94 M99 R100 E101W93-R97 WeakPolarHBondContact O-CB 3.48Å; W93-R97 PolarHBondContact O-N 3.17Å; E94-R97 PolarHBondContact O-N 3Å; R97-M99 VanDerWaalsContact C-N 3.33Å; R97-M99 PolarHBondContact O-N 3.33Å; R97-R100 PolarHBondContact O-N 3.41Å; R97-R100 VanDerWaalsContact O-N 3.14Å; R97-E101 PolarHBondContact O-N 2.8Å
98K86.2Confident75.9Confident157 Ų157113.7 Ų113.768%0.68356%0.564SS**Hα-helixtrans-63.1-36.6177.5-166.4174-175.7175.20112.6E94 R95 R102E94-K98 WeakPolarHBondContact O-CB 3.45Å; E94-K98 PolarHBondContact O-N 3.39Å; R95-K98 PolarHBondContact O-N 2.92Å; K98-R102 WeakPolarHBondContact O-CB 3.37Å; K98-R102 PolarHBondContact O-N 3.31Å
99M82.7Confident75.7Confident137 Ų137110.8 Ų110.868%0.67556%0.557SS**Hα-helixtrans-64-43171.6-83-166.8166.500112.4R95 R96 R97 R102 A103R95-M99 PolarHBondContact O-N 3.43Å; R96-M99 PolarHBondContact O-N 3.06Å; R97-M99 VanDerWaalsContact C-N 3.33Å; R97-M99 PolarHBondContact O-N 3.33Å; M99-R102 PolarHBondContact O-N 3.45Å; M99-A103 WeakPolarHBondContact O-CB 3.39Å; M99-A103 PolarHBondContact O-N 3.47Å
100R78.7Confident75Confident148 Ų148117.2 Ų117.256%0.55858%0.584SS**Hα-helixtrans-64.3-42.5174.7-87.6-172.2-68.3-109.5-2.4112.5R96 R97 R102 A103 G104R96-R100 PolarHBondContact O-N 3.15Å; R97-R100 PolarHBondContact O-N 3.41Å; R97-R100 VanDerWaalsContact O-N 3.14Å; R100-R102 VanDerWaalsContact C-N 3.33Å; R100-A103 PolarHBondContact O-N 2.99Å; R100-G104 PolarHBondContact O-N 3.4Å
101E76.7Confident74.5Confident142 Ų142118 Ų11866%0.66458%0.581SS**Hα-helixtrans-61.8-43.1176-170.3-178.7174.300110.8R97 A103 G104 A105R97-E101 PolarHBondContact O-N 2.8Å; E101-A103 PolarHBondContact O-N 2.96Å; E101-G104 PolarHBondContact O-N 3.44Å; E101-A105 VanDerWaalsContact O-CB 3.24Å; E101-A105 WeakPolarHBondContact O-CB 3.37Å; E101-A105 PolarHBondContact O-N 2.89Å
102R82Confident73.6Confident207 Ų207121.9 Ų121.978%0.78159%0.591SS**Hα-helixtrans-62.9-41.1174.1-173.9176.7-177.2178.30.9112.7K98 M99 R100K98-R102 WeakPolarHBondContact O-CB 3.37Å; K98-R102 PolarHBondContact O-N 3.31Å; M99-R102 PolarHBondContact O-N 3.45Å; R100-R102 VanDerWaalsContact C-N 3.33Å
103A70.1Confident72.7Confident66 Ų66128.4 Ų128.455%0.54562%0.622SS.*Hα-helixtrans-73-32.1179.100000112.9M99 R100 E101 S106M99-A103 WeakPolarHBondContact O-CB 3.39Å; M99-A103 PolarHBondContact O-N 3.47Å; R100-A103 PolarHBondContact O-N 2.99Å; E101-A103 PolarHBondContact O-N 2.96Å; A103-S106 PolarHBondContact O-OG 3.43Å
104G68.4Low72.2Confident63 Ų63126.2 Ų126.265%0.64963%0.627SS**Hα-helixtrans-81.8-20174.800000113.9R100 E101 S106R100-G104 PolarHBondContact O-N 3.4Å; E101-G104 PolarHBondContact O-N 3.44Å; G104-S106 VanDerWaalsContact C-N 3.35Å
105A68.2Low71.4Confident83 Ų83127.8 Ų127.869%0.68664%0.639SS**Hα-helixtrans-72.9-27.3173.800000112.6E101 V107E101-A105 VanDerWaalsContact O-CB 3.24Å; E101-A105 WeakPolarHBondContact O-CB 3.37Å; E101-A105 PolarHBondContact O-N 2.89Å; A105-V107 PolarHBondContact O-N 2.96Å
106S64.2Low70.8Confident72 Ų72126.5 Ų126.550%0.50365%0.649SS.*SBendtrans-82108.8164.551.30000108.6A103 G104 N108A103-S106 PolarHBondContact O-OG 3.43Å; G104-S106 VanDerWaalsContact C-N 3.35Å; S106-N108 PolarHBondContact O-N 3.34Å
107V62.4Low70.1Confident107 Ų107126.2 Ų126.265%0.64866%0.663SS**  trans-59.2106.9165.3-176.60000106.5A105 T109A105-V107 PolarHBondContact O-N 2.96Å; V107-T109 HydrophobicContact CB-CG2 4.29Å; V107-T109 HydrophobicContact CG1-CG2 3.62Å; V107-T109 PolarHBondContact O-N 3Å
108N62.9Low69.1Low80 Ų80128.3 Ų128.343%0.42868%0.676SS.*  trans-81.175.9178.2-161.71.9000108.5S106 Q110 I111 W112S106-N108 PolarHBondContact O-N 3.34Å; N108-Q110 PolarHBondContact O-N 3.3Å; N108-I111 PolarHBondContact O-N 2.75Å; N108-W112 PolarHBondContact O-N 2.66Å; N108-W112 VanDerWaalsContact O-N 3.11Å
109T62.1Low68.1Low98 Ų98129.6 Ų129.660%0.60169%0.685SS**THydrogen-bonded Turntrans-62.5-8.4-177.852.80000113.6V107 W112V107-T109 HydrophobicContact CB-CG2 4.29Å; V107-T109 HydrophobicContact CG1-CG2 3.62Å; V107-T109 PolarHBondContact O-N 3Å; T109-W112 WeakPolarHBondContact CA-O 3.45Å
110Q65.3Low66.4Low181 Ų181130.3 Ų130.385%0.84669%0.691SS**THydrogen-bonded Turntrans-88.8-16-179.4-151.316116.500113.3N108N108-Q110 PolarHBondContact O-N 3.3Å
111I65.5Low64.8Low120 Ų120128.4 Ų128.462%0.61570%0.701SS**THydrogen-bonded Turntrans-121.8-30.8-179.9-57.9178.5000111.3N108N108-I111 PolarHBondContact O-N 2.75Å
112W62.2Low63.2Low191 Ų191129.4 Ų129.472%0.72371%0.711SS**SBendtrans-121.9125179.8-58.899.6000109.4N108 T109N108-W112 PolarHBondContact O-N 2.66Å; N108-W112 VanDerWaalsContact O-N 3.11Å; T109-W112 WeakPolarHBondContact CA-O 3.45Å
113E62.4Low61.4Low188 Ų188124 Ų12488%0.87971%0.705SS**PPolyproline II helixtrans-58.2145.1169.8-69.9-178.6172.900109.7N115E113-N115 PolarHBondContact O-N 3.15Å
114S66.3Low60.3Low84 Ų84128.6 Ų128.659%0.58772%0.72SS**PPolyproline II helixtrans-64.1137.4177-610000108.8
115N64.6Low59.1Low150 Ų150132.2 Ų132.280%0.80272%0.724SS**PPolyproline II helixtrans-51.4138.1172.3-76-15.8000109.1E113E113-N115 PolarHBondContact O-N 3.15Å
116P73.9Confident58.1Low112 Ų112135 Ų13573%0.72773%0.728SS**PPolyproline II helixtrans-53.4138.2178.321.7-32.1000109.4K118P116-K118 PolarHBondContact O-N 2.94Å
117P69.6Low57Low120 Ų120139.9 Ų139.978%0.77974%0.743SS**PPolyproline II helixtrans-54132.6178.219.4-27.9000108.6E119P117-E119 PolarHBondContact O-N 3.4Å
118K57.3Low56Low188 Ų188143.6 Ų143.682%0.81775%0.753SS**PPolyproline II helixtrans-61.8124.8168.6-77.3-179.2177.1179.60106.2P116 D120P116-K118 PolarHBondContact O-N 2.94Å; K118-D120 PolarHBondContact O-N 2.82Å; K118-D120 VanDerWaalsContact O-N 3.08Å
119E64.2Low54.8Low185 Ų185146 Ų14686%0.86477%0.77SS**  trans-61.5114.4172.4-55.4-170-155.200107.2P117 S121P117-E119 PolarHBondContact O-N 3.4Å; E119-S121 PolarHBondContact O-N 3.34Å
120D47.5Very low54Low152 Ų152149.4 Ų149.481%0.81378%0.783SS**  trans-67.982.6171.1-65.3-40000106.7K118 D122K118-D120 PolarHBondContact O-N 2.82Å; K118-D120 VanDerWaalsContact O-N 3.08Å; D120-D122 PolarHBondContact O-N 3.4Å
121S44.1Very low52.7Low108 Ų108146 Ų14676%0.75578%0.779SS**  trans-7868.3169.3-165.10000108.4E119 S123E119-S121 PolarHBondContact O-N 3.34Å; S121-S123 VanDerWaalsContact C-N 3.3Å; S121-S123 PolarHBondContact O-N 2.88Å
122D44.8Very low51.5Low163 Ų163143.4 Ų143.487%0.87278%0.783SS**  trans-80.383.4154.7-90.1-21.3000106.7D120D120-D122 PolarHBondContact O-N 3.4Å
123S44.2Very low50.5Low94 Ų94141.6 Ų141.666%0.65778%0.782SS**  trans-15089.6160.9-164.50000109.1S121S121-S123 VanDerWaalsContact C-N 3.3Å; S121-S123 PolarHBondContact O-N 2.88Å
124D46.5Very low49.2Very low161 Ų161138 Ų13886%0.86178%0.784SS**  trans-55.2144.2157.2-75.2-45.1000109.6
125N43Very low48Very low139 Ų139142.1 Ų142.174%0.74379%0.792SS**  trans7396.4-174.3-74.3-23.1000115.8
126D47.1Very low47.1Very low143 Ų143138.1 Ų138.177%0.76579%0.786SS**  -178.1124.7104.3-84.2-32.2000112.6H128D126-H128 PolarHBondContact O-N 2.83Å
127Q40.8Very low45.9Very low174 Ų174138.8 Ų138.881%0.81379%0.79SS**  trans-1.196.1157.5-51.9-176.424.700118.7
128H41Very low44.3Very low185 Ų185138.8 Ų138.886%0.85679%0.793SS**  trans-148.382.7144.3-80.4-65.4000110.1D126 I130D126-H128 PolarHBondContact O-N 2.83Å; H128-I130 PolarHBondContact O-N 3.41Å; H128-I130 VanDerWaalsContact O-N 3.12Å
129T39.2Very low43.9Very low130 Ų130137 Ų13780%0.79879%0.791SS**  trans-71.198.6165.6510000108.7S131T129-S131 PolarHBondContact O-N 2.94Å
130I43.6Very low42.8Very low169 Ų169134 Ų13487%0.86779%0.788SS**  trans-69.593.6158-66.7172.4000106.1H128H128-I130 PolarHBondContact O-N 3.41Å; H128-I130 VanDerWaalsContact O-N 3.12Å
131S37.9Very low42.8Very low109 Ų109131.1 Ų131.176%0.76278%0.776SS**  trans-81.7139.5166.359.20000109.1T129T129-S131 PolarHBondContact O-N 2.94Å
132G40.8Very low42.6Very low67 Ų67132.7 Ų132.769%0.69178%0.776SS**  trans129.2117.7160.900000113.1
133Q42.5Very low42.8Very low153 Ų153131.4 Ų131.472%0.71577%0.769SS**  cis-158.4106.45.4-1141597.500105.8F135Q133-F135 HydrophobicContact CB-CD2 3.83Å; Q133-F135 HydrophobicContact CB-CE2 3.66Å; Q133-F135 HydrophobicContact CG-CD2 4.11Å; Q133-F135 HydrophobicContact CG-CE2 3.48Å; Q133-F135 VanDerWaalsContact CG-CE2 3.48Å; Q133-F135 HydrophobicContact CG-CZ 3.89Å; Q133-F135 PolarHBondContact O-N 3.29Å; Q133-F135 VanDerWaalsContact OE1-CE2 3.26Å
134A34.9Very low42.8Very low111 Ų111137 Ų13792%0.91778%0.775SS**  trans-81.396.4165.400000107.4
135F41.6Very low42.7Very low172 Ų172136 Ų13675%0.75477%0.769SS**  trans-91.1117.7168.8-76.6-73.4000109.7Q133Q133-F135 HydrophobicContact CB-CD2 3.83Å; Q133-F135 HydrophobicContact CB-CE2 3.66Å; Q133-F135 HydrophobicContact CG-CD2 4.11Å; Q133-F135 HydrophobicContact CG-CE2 3.48Å; Q133-F135 VanDerWaalsContact CG-CE2 3.48Å; Q133-F135 HydrophobicContact CG-CZ 3.89Å; Q133-F135 PolarHBondContact O-N 3.29Å; Q133-F135 VanDerWaalsContact OE1-CE2 3.26Å
136G45.1Very low42.7Very low66 Ų66136 Ų13668%0.6877%0.768SS**SBendtrans144.4111.3164.700000113.1S138G136-S138 PolarHBondContact O-N 3.35Å
137P48.2Very low42.6Very low125 Ų125136.2 Ų136.281%0.81277%0.769SS**  trans-68.2135-176.329.5-32.7000110.3L139P137-L139 PolarHBondContact O-N 3.44Å
138S35.9Very low42.6Very low120 Ų120134.4 Ų134.484%0.83977%0.765SS**  trans-48.4108.3167.450.40000111.3G136G136-S138 PolarHBondContact O-N 3.35Å
139L48.9Very low42.6Very low150 Ų150137.5 Ų137.579%0.78577%0.769SS**  trans-81.1125.4167-91.8156.5000109.4P137 T141P137-L139 PolarHBondContact O-N 3.44Å; L139-T141 PolarHBondContact O-N 3.38Å
140P40.5Very low42.6Very low123 Ų123135.2 Ų135.280%0.79976%0.764SS**  trans-86.8103.2174.532.8-26.3000108.3
141T47.5Very low42.7Very low92 Ų92134.6 Ų134.656%0.56476%0.762SS**  trans-127.478175.9-41.20000110.7L139 L143L139-T141 PolarHBondContact O-N 3.38Å; T141-L143 HydrophobicContact CG2-CB 3.89Å; T141-L143 HydrophobicContact CG2-CD1 3.41Å; T141-L143 VanDerWaalsContact CG2-CD1 3.41Å; T141-L143 HydrophobicContact CG2-CG 3.59Å; T141-L143 PolarHBondContact O-N 2.98Å
142D41.8Very low42.8Very low141 Ų141134 Ų13475%0.75476%0.758SS**  trans-6972.3157.5-153.65.1000107.7
143L47.6Very low42.9Very low136 Ų136141 Ų14171%0.71277%0.765SS**  trans-113.688.9166.4-75.5171.8000107.9T141 I145T141-L143 HydrophobicContact CG2-CB 3.89Å; T141-L143 HydrophobicContact CG2-CD1 3.41Å; T141-L143 VanDerWaalsContact CG2-CD1 3.41Å; T141-L143 HydrophobicContact CG2-CG 3.59Å; T141-L143 PolarHBondContact O-N 2.98Å; L143-I145 VanDerWaalsContact C-N 3.3Å; L143-I145 PolarHBondContact O-N 3.48Å
144R44Very low42.7Very low211 Ų211138.9 Ų138.980%0.79677%0.767SS**  trans-63.495.1160.1-64.8178.9-175.61655.2107.7L146R144-L146 PolarHBondContact O-N 2.97Å
145I45.2Very low43.3Very low140 Ų140140.6 Ų140.672%0.71876%0.756SS**  trans-69.7102161.6-61.7174.9000105.9L143 D147L143-I145 VanDerWaalsContact C-N 3.3Å; L143-I145 PolarHBondContact O-N 3.48Å; I145-D147 VanDerWaalsContact C-N 3.31Å; I145-D147 PolarHBondContact O-N 3.18Å
146L43.2Very low43.5Very low138 Ų138140.9 Ų140.972%0.72376%0.756SS**  trans-64.591.4164.7-84.3153.8000107.8R144 N148R144-L146 PolarHBondContact O-N 2.97Å; L146-N148 PolarHBondContact O-N 2.91Å
147D44Very low43.4Very low148 Ų148147.6 Ų147.679%0.79177%0.767SS**  trans-74.284.5160.9-87.1-14.7000108.8I145 R149I145-D147 VanDerWaalsContact C-N 3.31Å; I145-D147 PolarHBondContact O-N 3.18Å; D147-R149 VanDerWaalsContact C-N 3.29Å; D147-R149 PolarHBondContact O-N 3.3Å
148N41.9Very low43.4Very low136 Ų136149.1 Ų149.173%0.72777%0.768SS**  trans-67.688.7158.4-72.7-37.9000108.4L146L146-N148 PolarHBondContact O-N 2.91Å
149R39.9Very low43.8Very low250 Ų250152.4 Ų152.494%0.94377%0.767SS**  trans-111.866.6154.7-96.8-178170.7167.2-2.1109D147D147-R149 VanDerWaalsContact C-N 3.29Å; D147-R149 PolarHBondContact O-N 3.3Å
150A40.7Very low43.7Very low83 Ų83153.9 Ų153.969%0.68677%0.769SS**  trans-105.8100.6151.700000105.4
151D44.6Very low44Very low156 Ų156156.7 Ų156.783%0.83477%0.769SS**  trans-168.9130.7142.1-97.5-27.4000112.1
152S39.9Very low43.9Very low96 Ų96160 Ų16067%0.67178%0.784SS**  trans45.5106.5153.569.80000119.3
153Y43.1Very low44.1Very low215 Ų215160.2 Ų160.284%0.84379%0.785SS**  -157.192.9120.8-111-76.5000109.5H155Y153-H155 AromaticContact CD1-CD2 3.93Å
154S39Very low43.9Very low108 Ų108157.4 Ų157.476%0.75578%0.776SS**  trans-73.7115.3165.955.90000109.4
155H46.1Very low44.1Very low147 Ų147156.6 Ų156.668%0.68178%0.781SS**  trans-138.7104157.3-94.6-76.9000112Y153Y153-H155 AromaticContact CD1-CD2 3.93Å
156K46.4Very low44.1Very low177 Ų177158.2 Ų158.277%0.7779%0.785SS**  trans46.4101.2137.6-67.7178.3179.3174.40117.9L158K156-L158 PolarHBondContact O-N 3.33Å
157K42.4Very low44.3Very low207 Ų207163.8 Ų163.890%0.980%0.797SS**  trans-51121.2146.8-76.5174.4175.4171.10110.1
158L47.8Very low44.4Very low158 Ų158161.3 Ų161.383%0.82779%0.791SS**  trans-114.7105.5155.3-103.6147.7000107.7K156K156-L158 PolarHBondContact O-N 3.33Å
159K44.9Very low44.6Very low188 Ų188163.8 Ų163.882%0.81780%0.798SS**  trans-67.4124.3164.4-78.3174.8171.2176.60107.6
160Q46.9Very low44.9Very low181 Ų181159.9 Ų159.985%0.84679%0.788SS**  trans-121.5118149.1-77-163.20.700108.9
161K46.8Very low45.2Very low183 Ų183163.3 Ų163.380%0.79679%0.789SS**  trans-68.6145.8167.3-66.6171.3170.8-179.10108
162N46.1Very low45.3Very low162 Ų162161.3 Ų161.387%0.86679%0.788SS**  trans-150.7133.2137.9-91.3-26.2000110
163D45.8Very low45.7Very low145 Ų145166 Ų16678%0.77580%0.796SS**  trans-54.3134.4-173.8-85-56.6000113.7
164S43.5Very low45.9Very low77 Ų77164.7 Ų164.754%0.53879%0.794SS.*  73.8112.8871160000113.2
165H47.7Very low46.2Very low193 Ų193166.9 Ų166.989%0.89479%0.793SS**  trans-158.2109.4133.9-98.2-61.7000109.5
166H45.4Very low46.3Very low174 Ų174169 Ų16981%0.80680%0.8SS**  trans-70.2142.6170.2-76.6-85000111.3
167R47.2Very low46.4Very low256 Ų256170.5 Ų170.597%0.96681%0.806SS**  trans-154.7112.4140.2-110.3173.8-176.6-170.51110.4
168S45.4Very low46.5Very low96 Ų96169 Ų16967%0.67180%0.802SS**  trans-101.4136.4178.854.30000110.9
169H46.6Very low46.4Very low187 Ų187173 Ų17387%0.86681%0.807SS**  trans-159.1112.7147.4-83.9-68.7000107.1
170K45.9Very low46.6Very low168 Ų168173 Ų17373%0.7381%0.807SS**  92.612263.1-136.9-169.8-175.2-173.20113.2
171H47.4Very low46.7Very low155 Ų155173.7 Ų173.772%0.71881%0.807SS**  trans72.5141.1165.4-61.4-64.7000117.2
172S47.4Very low46.7Very low115 Ų115169.3 Ų169.380%0.80480%0.799SS**  cis-154.2154.830.960.80000114.5
173K47.1Very low46.6Very low195 Ų195169.6 Ų169.685%0.84880%0.801SS**  trans-62.8145.5178.3-57.1161.9175.1174.10114.4
174K47.6Very low46.7Very low186 Ų186171.2 Ų171.281%0.80980%0.801SS**  trans-171.2123.4131.4-137.2153.2-177.7-178.90116.6
175H46.9Very low46.9Very low155 Ų155173.4 Ų173.472%0.71881%0.813SS**  trans35.9120.2150.9-58.1-54.2000122.2
176K46.9Very low47.1Very low190 Ų190172.6 Ų172.683%0.82681%0.807SS**  7810263.4-165-179.3-171.6179.10114.1
177K48.9Very low47.1Very low210 Ų210174 Ų17491%0.91381%0.811SS**  trans-167.8123135.2-114.2172.9-178.4175.60113
178E45.3Very low47.3Very low175 Ų175169.4 Ų169.482%0.81880%0.8SS**  trans-71.5152.5171.3-58.4177.3155.900112.1
179R44.7Very low47.4Very low242 Ų242174.4 Ų174.491%0.91381%0.81SS**  trans-168.4102.5140.6-106.3168.4176.5-148.5-3.8113.3
180K49.6Very low47.6Very low189 Ų189175.7 Ų175.782%0.82281%0.807SS**  trans23.4127.2133.5-56.5-174.8177.8-1760120.2
181K49.6Very low47.7Very low195 Ų195177.3 Ų177.385%0.84881%0.814SS**  164.6101123.4-91.4173.4177.7-176.10109.2
182S45.7Very low47.7Very low90 Ų90177 Ų17763%0.62982%0.818SS**  56.5104.38869.90000114.7
183N44.5Very low47.7Very low169 Ų169180.7 Ų180.790%0.90482%0.82SS**  176.8134.5111.5-86.9-23.1000112.1
184K48.4Very low47.7Very low179 Ų179180.2 Ų180.278%0.77882%0.82SS**  trans-118.2146.7178.8-167.8175.8-169.6170.30105.7
185P46.7Very low48Very low123 Ų123177.8 Ų177.880%0.79982%0.82SS**  -141.1121.3120.527.2-9.4000111
186K52.1Low48.3Very low176 Ų176174.7 Ų174.777%0.76582%0.816SS**  5587.790.5-74.4-170.7178.7178.40113.2Q188K186-Q188 PolarHBondContact O-N 2.96Å
187K45.7Very low48.2Very low202 Ų202177.7 Ų177.788%0.87882%0.822SS**  trans-56.3106.7163.1-156.5171.9-170.8173.50109.6
188Q51.5Low48.2Very low161 Ų161176.8 Ų176.875%0.75282%0.818SS**  trans-81113.7167-80.4-168-13.500109.2K186 R190K186-Q188 PolarHBondContact O-N 2.96Å; Q188-R190 PolarHBondContact O-N 3.46Å
189K46.8Very low48Very low200 Ų200174 Ų17487%0.8782%0.818SS**  trans-75.8107.6163.3-76-178.8174.3-179.30107.7
190R50.6Low48.1Very low214 Ų214167.2 Ų167.281%0.80881%0.808SS**  trans-81.5113.5163.5-74.4-160.4169.9-165.7-1.7108.9Q188Q188-R190 PolarHBondContact O-N 3.46Å
191K48.8Very low47.7Very low202 Ų202163.8 Ų163.888%0.87881%0.808SS**  trans-78.3110.8164-68.2177.3176-1790106.5
192N48.1Very low47.3Very low148 Ų148160 Ų16079%0.79181%0.806SS**PPolyproline II helixtrans-94.6139.6163.7-84.62.4000109.8
193K47Very low47.3Very low194 Ų194161.1 Ų161.184%0.84381%0.813SS**PPolyproline II helixtrans-92.4126.3-153.2-166.8174.9-176.5179.40108.2V195K193-V195 PolarHBondContact O-N 2.93Å
194H46.2Very low47.2Very low185 Ų185158.9 Ų158.986%0.85681%0.808SS**PPolyproline II helixtrans-65.2119.3169.5-60.8-83.3000108.8
195V53.9Low46.7Very low135 Ų135156 Ų15682%0.81881%0.811SS**PPolyproline II helixtrans-86.6118.4167.6176.70000107.5K193K193-V195 PolarHBondContact O-N 2.93Å
196S53.9Low46.4Very low90 Ų90153.7 Ų153.763%0.62980%0.797SS**PPolyproline II helixtrans-54.1127.5179.148.40000113.4K198S196-K198 PolarHBondContact O-N 3Å
197R44.7Very low45.7Very low252 Ų252154.3 Ų154.395%0.95180%0.803SS**  trans-71.7115.1152.7-70.8177.4176.2162.5-2107.5
198K47.9Very low45.7Very low191 Ų191153.4 Ų153.483%0.8380%0.795SS**  trans-96.8117.6166.3-83.6-173.4175.1-176.40108.7S196S196-K198 PolarHBondContact O-N 3Å
199S41.6Very low45Very low116 Ų116154.5 Ų154.581%0.81180%0.8SS**  trans-71.4135.2160.847.10000111.1
200S46.2Very low44.9Very low100 Ų100150 Ų15070%0.69980%0.795SS**  trans-171.595.3152.650.50000105.9
201S41.4Very low44.4Very low118 Ų118148.9 Ų148.983%0.82580%0.798SS**  43.190.877.279.50000114.1
202S42.4Very low44.1Very low115 Ų115145.5 Ų145.580%0.80479%0.794SS**  trans-158.8112149.144.10000107.9
203S45Very low44.4Very low113 Ų113143.2 Ų143.279%0.7978%0.782SS**  trans-87.1-171.6174.8-53.40000109.9
204P43.2Very low45Very low122 Ų122138.3 Ų138.379%0.79277%0.772SS**  -118.8168.6-98.432.6-13.3000111.1
205S37.2Very low45.6Very low120 Ų120135.9 Ų135.984%0.83976%0.761SS**  trans159.7109.1151174.90000110.3
206S40.1Very low46.1Very low73 Ų73133.3 Ų133.351%0.5174%0.743SS.*  -179.4121.9124.653.40000110.4Y208S206-Y208 VanDerWaalsContact OG-CE1 3.27Å; S206-Y208 WeakPolarHBondContact OG-CE1 3.27Å; S206-Y208 VanDerWaalsContact OG-CZ 3.3Å; S206-Y208 PolarHBondContact OG-OH 3.17Å
207E37.2Very low46.7Very low190 Ų190135.5 Ų135.589%0.88874%0.743SS**  trans-61.9127.5172.2-67.3157.5137.600112
208Y45.1Very low48Very low183 Ų183130.4 Ų130.472%0.71873%0.728SS**  trans-159.595.5152.316.7-99.7000109.8S206S206-Y208 VanDerWaalsContact OG-CE1 3.27Å; S206-Y208 WeakPolarHBondContact OG-CE1 3.27Å; S206-Y208 VanDerWaalsContact OG-CZ 3.3Å; S206-Y208 PolarHBondContact OG-OH 3.17Å
209E38.5Very low49.3Very low183 Ų183126.7 Ų126.786%0.85571%0.712SS**  trans16.9106.4132-62.2-73.9129.200117.1
210S43.5Very low51Low107 Ų107127.2 Ų127.275%0.74870%0.701SS**  trans-162.698.3143.870.70000111.1V212S210-V212 PolarHBondContact O-N 3.4Å
211E40.8Very low52.5Low190 Ų190128.8 Ų128.889%0.88870%0.696SS**  trans-89.972.7-179.5-163.6142.7-157.100109.9
212V42.6Very low54.4Low131 Ų131127.7 Ų127.779%0.79468%0.68SS**  trans-165.175.3178.1-100.40000111.2S210S210-V212 PolarHBondContact O-N 3.4Å
213D53Low56.4Low99 Ų99129.1 Ų129.153%0.52967%0.672SS.*  trans-168.221.5154.5-147.24.8000116.9E215D213-E215 VanDerWaalsContact C-N 3.28Å; D213-E215 PolarHBondContact O-N 2.85Å
214S59.8Low58.1Low92 Ų92129 Ų12964%0.64366%0.659SS**THydrogen-bonded Turntrans-76.2-9.9-175.1-79.40000115.2K218S214-K218 WeakPolarHBondContact O-CD 3.29Å; S214-K218 WeakPolarHBondContact O-CG 3.49Å
215E59.4Low59.9Low133 Ų133128.9 Ų128.962%0.62165%0.649SS**THydrogen-bonded Turntrans-91.7-35.9-178.9-70.6-143.3160.200113.7D213 K218 K219D213-E215 VanDerWaalsContact C-N 3.28Å; D213-E215 PolarHBondContact O-N 2.85Å; E215-K218 PolarHBondContact O-N 2.84Å; E215-K219 WeakPolarHBondContact O-CG 3.4Å; E215-K219 PolarHBondContact O-N 3.31Å; E215-K219 IonicContact OE2-NZ 3.31Å; E215-K219 PolarHBondContact OE2-NZ 3.5Å; E215-K219 VanDerWaalsContact OE2-NZ 3.15Å
216D64.6Low62.1Low82 Ų82130.2 Ų130.244%0.43964%0.639SS.*Hα-helixtrans-79.2-33.1-173.4-71.9-18.4000111.8K218 K219 Q220D216-K218 VanDerWaalsContact C-N 3.33Å; D216-K218 PolarHBondContact O-N 3.43Å; D216-K219 PolarHBondContact O-N 2.84Å; D216-K219 IonicContact OD1-NZ 3.15Å; D216-Q220 WeakPolarHBondContact O-CB 3.43Å; D216-Q220 VanDerWaalsContact O-CG 3.28Å; D216-Q220 WeakPolarHBondContact O-CG 3.33Å; D216-Q220 PolarHBondContact O-N 2.9Å
217E67.4Low64.2Low136 Ų136129.9 Ų129.964%0.63663%0.632SS**Hα-helixtrans-61.2-41.1168.5-68.7-169.3160.300112.1Q220 F221E217-Q220 PolarHBondContact O-N 2.86Å; E217-F221 WeakPolarHBondContact O-CB 3.26Å; E217-F221 PolarHBondContact O-N 3.42Å
218K70.3Confident66.3Low144 Ų144127.5 Ų127.563%0.62662%0.619SS**Hα-helixtrans-65.9-42.2176.1-75.2178.8-174.9169.30111.6S214 E215 D216 F221 I222S214-K218 WeakPolarHBondContact O-CD 3.29Å; S214-K218 WeakPolarHBondContact O-CG 3.49Å; E215-K218 PolarHBondContact O-N 2.84Å; D216-K218 VanDerWaalsContact C-N 3.33Å; D216-K218 PolarHBondContact O-N 3.43Å; K218-F221 PolarHBondContact O-N 3.35Å; K218-I222 WeakPolarHBondContact O-CD1 3.45Å; K218-I222 VanDerWaalsContact O-CG1 3.25Å; K218-I222 WeakPolarHBondContact O-CG1 3.41Å; K218-I222 PolarHBondContact O-N 3.39Å
219K75.9Confident68.1Low114 Ų114125.8 Ų125.850%0.49662%0.615SS.*Hα-helixtrans-64.3-41.1176.7-73.9168.2-167.9155.80111.6E215 D216 I222 K223E215-K219 WeakPolarHBondContact O-CG 3.4Å; E215-K219 PolarHBondContact O-N 3.31Å; E215-K219 IonicContact OE2-NZ 3.31Å; E215-K219 PolarHBondContact OE2-NZ 3.5Å; E215-K219 VanDerWaalsContact OE2-NZ 3.15Å; D216-K219 PolarHBondContact O-N 2.84Å; D216-K219 IonicContact OD1-NZ 3.15Å; K219-I222 PolarHBondContact O-N 3.17Å; K219-K223 WeakPolarHBondContact O-CB 3.43Å; K219-K223 PolarHBondContact O-N 3.42Å
220Q76.9Confident70.2Confident126 Ų126125.1 Ų125.159%0.58961%0.605SS**Hα-helixtrans-64.8-42.2175.9-72-177.721.500112D216 E217 K223 Q224D216-Q220 WeakPolarHBondContact O-CB 3.43Å; D216-Q220 VanDerWaalsContact O-CG 3.28Å; D216-Q220 WeakPolarHBondContact O-CG 3.33Å; D216-Q220 PolarHBondContact O-N 2.9Å; E217-Q220 PolarHBondContact O-N 2.86Å; Q220-K223 PolarHBondContact O-N 3.42Å; Q220-Q224 WeakPolarHBondContact O-CG 3.25Å; Q220-Q224 PolarHBondContact O-N 2.99Å
221F77.6Confident72Confident134 Ų134125.4 Ų125.459%0.58859%0.594SS**Hα-helixtrans-63.9-43.3176.3-173.8-100.8000112.5E217 K218 K223 Q224 M225E217-F221 WeakPolarHBondContact O-CB 3.26Å; E217-F221 PolarHBondContact O-N 3.42Å; K218-F221 PolarHBondContact O-N 3.35Å; F221-K223 VanDerWaalsContact C-N 3.31Å; F221-K223 PolarHBondContact O-N 3.29Å; F221-Q224 PolarHBondContact O-N 3.34Å; F221-M225 HydrophobicContact CE1-CG 4.2Å; F221-M225 HydrophobicContact CZ-CG 4.39Å; F221-M225 PolarHBondContact O-N 3.09Å
222I81.5Confident73.9Confident95 Ų95122.4 Ų122.449%0.48758%0.584SS.*Hα-helixtrans-62.7-39.3176.1-68.1165.4000111K218 K219 M225 K226K218-I222 WeakPolarHBondContact O-CD1 3.45Å; K218-I222 VanDerWaalsContact O-CG1 3.25Å; K218-I222 WeakPolarHBondContact O-CG1 3.41Å; K218-I222 PolarHBondContact O-N 3.39Å; K219-I222 PolarHBondContact O-N 3.17Å; I222-M225 PolarHBondContact O-N 3.29Å; I222-K226 PolarHBondContact O-N 3.48Å
223K83.8Confident75.7Confident144 Ų144122.1 Ų122.163%0.62657%0.574SS**Hα-helixtrans-63.7-47.7176.3-169.4177.8177.9-175.90111.4K219 Q220 F221 M225 K226 D227K219-K223 WeakPolarHBondContact O-CB 3.43Å; K219-K223 PolarHBondContact O-N 3.42Å; Q220-K223 PolarHBondContact O-N 3.42Å; F221-K223 VanDerWaalsContact C-N 3.31Å; F221-K223 PolarHBondContact O-N 3.29Å; K223-M225 VanDerWaalsContact C-N 3.33Å; K223-M225 PolarHBondContact O-N 3.03Å; K223-K226 PolarHBondContact O-N 3.48Å; K223-D227 PolarHBondContact O-N 2.95Å
224Q82.1Confident76.9Confident111 Ų111125.4 Ų125.452%0.51958%0.579SS.*Hα-helixtrans-61.1-38.6176.3-70.7-178.916.400112.9Q220 F221 D227 K228Q220-Q224 WeakPolarHBondContact O-CG 3.25Å; Q220-Q224 PolarHBondContact O-N 2.99Å; F221-Q224 PolarHBondContact O-N 3.34Å; Q224-D227 PolarHBondContact O-N 3.39Å; Q224-K228 WeakPolarHBondContact O-CB 3.28Å; Q224-K228 WeakPolarHBondContact O-CG 3.45Å; Q224-K228 PolarHBondContact O-N 2.91Å
225M80.3Confident77.8Confident119 Ų119127 Ų12759%0.58657%0.574SS**Hα-helixtrans-65.1-41.9174.6-97.5-84.9-94.300112.3F221 I222 K223 K229F221-M225 HydrophobicContact CE1-CG 4.2Å; F221-M225 HydrophobicContact CZ-CG 4.39Å; F221-M225 PolarHBondContact O-N 3.09Å; I222-M225 PolarHBondContact O-N 3.29Å; K223-M225 VanDerWaalsContact C-N 3.33Å; K223-M225 PolarHBondContact O-N 3.03Å; M225-K229 WeakPolarHBondContact O-CB 3.43Å; M225-K229 PolarHBondContact O-N 2.89Å
226K84.2Confident78.5Confident148 Ų148129 Ų12964%0.64358%0.576SS**Hα-helixtrans-65-41.7175.1-79.9-176.3175.8-178.50112I222 K223 K229 R230I222-K226 PolarHBondContact O-N 3.48Å; K223-K226 PolarHBondContact O-N 3.48Å; K226-K229 PolarHBondContact O-N 3.39Å; K226-R230 WeakPolarHBondContact O-CB 3.4Å; K226-R230 PolarHBondContact O-N 2.9Å
227D83.2Confident78.9Confident67 Ų67127.4 Ų127.436%0.35857%0.574SS.*Hα-helixtrans-65.3-44178.1-75.8-39.9000111.8K223 Q224 K229 R230 E231K223-D227 PolarHBondContact O-N 2.95Å; Q224-D227 PolarHBondContact O-N 3.39Å; D227-K229 PolarHBondContact O-N 2.85Å; D227-R230 PolarHBondContact O-N 3.38Å; D227-R230 IonicContact OD1-CZ 2.75Å; D227-R230 IonicContact OD1-NH2 3.61Å; D227-R230 PolarHBondContact OD1-NH2 2.9Å; D227-E231 PolarHBondContact O-N 2.91Å
228K81.4Confident79Confident139 Ų139125.4 Ų125.460%0.60457%0.565SS**Hα-helixtrans-61.7-40.4173-79.5-177.5176.61770112.7Q224 E231 L232Q224-K228 WeakPolarHBondContact O-CB 3.28Å; Q224-K228 WeakPolarHBondContact O-CG 3.45Å; Q224-K228 PolarHBondContact O-N 2.91Å; K228-E231 PolarHBondContact O-N 3.35Å; K228-L232 WeakPolarHBondContact O-CB 3.36Å; K228-L232 PolarHBondContact O-N 3.49Å
229K83.5Confident78.9Confident148 Ų148124.5 Ų124.564%0.64356%0.563SS**Hα-helixtrans-62.7-45176.3-174.1-176.4175.8-169.10110.9M225 K226 D227 E231 L232 E233M225-K229 WeakPolarHBondContact O-CB 3.43Å; M225-K229 PolarHBondContact O-N 2.89Å; K226-K229 PolarHBondContact O-N 3.39Å; D227-K229 PolarHBondContact O-N 2.85Å; K229-E231 VanDerWaalsContact C-N 3.34Å; K229-E231 PolarHBondContact O-N 2.95Å; K229-L232 PolarHBondContact O-N 3.44Å; K229-E233 WeakPolarHBondContact O-CB 3.34Å; K229-E233 PolarHBondContact O-N 3.37Å
230R82.6Confident78.2Confident168 Ų168124.6 Ų124.663%0.63457%0.565SS**Hα-helixtrans-64.6-37.2177.6-173.4178.461.3170-5.8112K226 D227 E233 R234K226-R230 WeakPolarHBondContact O-CB 3.4Å; K226-R230 PolarHBondContact O-N 2.9Å; D227-R230 PolarHBondContact O-N 3.38Å; D227-R230 IonicContact OD1-CZ 2.75Å; D227-R230 IonicContact OD1-NH2 3.61Å; D227-R230 PolarHBondContact OD1-NH2 2.9Å; R230-E233 PolarHBondContact O-N 3.33Å; R230-R234 WeakPolarHBondContact O-CB 3.49Å; R230-R234 PolarHBondContact O-N 3.33Å
231E82Confident77.4Confident114 Ų114125.5 Ų125.553%0.53357%0.569SS.*Hα-helixtrans-67.5-41.4175.7-169.9179176.300112.1D227 K228 K229 R234 K235D227-E231 PolarHBondContact O-N 2.91Å; K228-E231 PolarHBondContact O-N 3.35Å; K229-E231 VanDerWaalsContact C-N 3.34Å; K229-E231 PolarHBondContact O-N 2.95Å; E231-R234 PolarHBondContact O-N 3.46Å; E231-K235 PolarHBondContact O-N 3.37Å
232L79.2Confident76.5Confident127 Ų127127 Ų12767%0.66558%0.578SS**Hα-helixtrans-62.8-42.8173-104.6155.4000112.2K228 K229 K235 R236K228-L232 WeakPolarHBondContact O-CB 3.36Å; K228-L232 PolarHBondContact O-N 3.49Å; K229-L232 PolarHBondContact O-N 3.44Å; L232-K235 PolarHBondContact O-N 2.87Å; L232-R236 WeakPolarHBondContact O-CB 3.41Å; L232-R236 PolarHBondContact O-N 2.82Å
233E80.2Confident75.4Confident125 Ų125129.6 Ų129.658%0.58459%0.588SS**Hα-helixtrans-67.1-37.7177.4-168.5163.8-142.400111.5K229 R230 R236 A237K229-E233 WeakPolarHBondContact O-CB 3.34Å; K229-E233 PolarHBondContact O-N 3.37Å; R230-E233 PolarHBondContact O-N 3.33Å; E233-R236 PolarHBondContact O-N 3.07Å; E233-A237 VanDerWaalsContact O-CB 3.31Å; E233-A237 WeakPolarHBondContact O-CB 3.44Å; E233-A237 PolarHBondContact O-N 2.95Å
234R80Confident74.1Confident168 Ų168129.9 Ų129.963%0.63459%0.592SS**Hα-helixtrans-67.2-39.7173.6-157.8-177.787.7163.26.1112.3R230 E231 A237 Q238R230-R234 WeakPolarHBondContact O-CB 3.49Å; R230-R234 PolarHBondContact O-N 3.33Å; E231-R234 PolarHBondContact O-N 3.46Å; R234-A237 PolarHBondContact O-N 2.94Å; R234-Q238 WeakPolarHBondContact O-CB 3.27Å; R234-Q238 VanDerWaalsContact O-CG 3.28Å; R234-Q238 WeakPolarHBondContact O-CG 3.43Å; R234-Q238 PolarHBondContact O-N 3.03Å
235K78Confident72.9Confident126 Ų126128 Ų12855%0.54860%0.595SS.*Hα-helixtrans-64-41.6173.6-81.3-174.7175.6178.30111.8E231 L232 Q238 E239E231-K235 PolarHBondContact O-N 3.37Å; L232-K235 PolarHBondContact O-N 2.87Å; K235-Q238 PolarHBondContact O-N 3.2Å; K235-E239 WeakPolarHBondContact O-CB 3.39Å; K235-E239 PolarHBondContact O-N 3.07Å
236R74.3Confident71.8Confident174 Ų174129.9 Ų129.966%0.65761%0.613SS**Hα-helixtrans-65.6-41.4176-170.7178.8-179.5-167.4-3.1111.9L232 E233 Q238 E239 E240L232-R236 WeakPolarHBondContact O-CB 3.41Å; L232-R236 PolarHBondContact O-N 2.82Å; E233-R236 PolarHBondContact O-N 3.07Å; R236-Q238 VanDerWaalsContact C-N 3.33Å; R236-E239 PolarHBondContact O-N 3.06Å; R236-E240 VanDerWaalsContact O-CB 3.26Å; R236-E240 WeakPolarHBondContact O-CB 3.4Å; R236-E240 PolarHBondContact O-N 2.98Å
237A73Confident71.1Confident48 Ų48125.2 Ų125.240%0.39761%0.606SS.*Hα-helixtrans-66.5-34.4175.100000112E233 R234 E240 E241E233-A237 VanDerWaalsContact O-CB 3.31Å; E233-A237 WeakPolarHBondContact O-CB 3.44Å; E233-A237 PolarHBondContact O-N 2.95Å; R234-A237 PolarHBondContact O-N 2.94Å; A237-E240 PolarHBondContact O-N 3.3Å; A237-E241 WeakPolarHBondContact O-CB 3.48Å; A237-E241 PolarHBondContact O-N 3.4Å
238Q69.8Low70.5Confident95 Ų95128.3 Ų128.344%0.44463%0.631SS.*Hα-helixtrans-69.3-37.3173-76.4-179.2-38.600112.4R234 K235 R236 E242R234-Q238 WeakPolarHBondContact O-CB 3.27Å; R234-Q238 VanDerWaalsContact O-CG 3.28Å; R234-Q238 WeakPolarHBondContact O-CG 3.43Å; R234-Q238 PolarHBondContact O-N 3.03Å; K235-Q238 PolarHBondContact O-N 3.2Å; R236-Q238 VanDerWaalsContact C-N 3.33Å; Q238-E242 WeakPolarHBondContact O-CB 3.48Å; Q238-E242 WeakPolarHBondContact O-CG 3.45Å; Q238-E242 PolarHBondContact O-N 2.8Å
239E66.4Low69.8Low125 Ų125129 Ų12958%0.58464%0.637SS**Hα-helixtrans-69.4-37.9174.1-166.9171.5-158.800111.1K235 R236 E242 E243K235-E239 WeakPolarHBondContact O-CB 3.39Å; K235-E239 PolarHBondContact O-N 3.07Å; R236-E239 PolarHBondContact O-N 3.06Å; E239-E242 PolarHBondContact O-N 3.28Å; E239-E243 WeakPolarHBondContact O-CB 3.34Å; E239-E243 WeakPolarHBondContact O-CG 3.33Å; E239-E243 PolarHBondContact O-N 3.33Å
240E63Low68.7Low116 Ų116128.4 Ų128.454%0.54264%0.641SS.*Hα-helixtrans-71.6-35.1175.2-166166.7-161.600111.8R236 A237 E243 E244R236-E240 VanDerWaalsContact O-CB 3.26Å; R236-E240 WeakPolarHBondContact O-CB 3.4Å; R236-E240 PolarHBondContact O-N 2.98Å; A237-E240 PolarHBondContact O-N 3.3Å; E240-E243 CarbonylContact O-C 3.5Å; E240-E243 PolarHBondContact O-N 2.93Å; E240-E244 VanDerWaalsContact O-CB 3.25Å; E240-E244 WeakPolarHBondContact O-CB 3.18Å; E240-E244 PolarHBondContact O-N 3.44Å
241E59.5Low67.6Low145 Ų145125.4 Ų125.468%0.67864%0.643SS**Hα-helixtrans-74.5-30.2173.7-170.6175.5-162.300112.2A237 E244A237-E241 WeakPolarHBondContact O-CB 3.48Å; A237-E241 PolarHBondContact O-N 3.4Å; E241-E244 PolarHBondContact O-N 2.81Å
242E59.4Low66.3Low164 Ų164124.7 Ų124.777%0.76665%0.647SS**Hα-helixtrans-72.1-28.7167.7-82.7-179.2169.900112.3Q238 E239Q238-E242 WeakPolarHBondContact O-CB 3.48Å; Q238-E242 WeakPolarHBondContact O-CG 3.45Å; Q238-E242 PolarHBondContact O-N 2.8Å; E239-E242 PolarHBondContact O-N 3.28Å
243E57.5Low64.7Low150 Ų150122.3 Ų122.370%0.70165%0.645SS**Hα-helixtrans-79.5-26.7169.7-78.2-174.3165.100113E239 E240 A245E239-E243 WeakPolarHBondContact O-CB 3.34Å; E239-E243 WeakPolarHBondContact O-CG 3.33Å; E239-E243 PolarHBondContact O-N 3.33Å; E240-E243 CarbonylContact O-C 3.5Å; E240-E243 PolarHBondContact O-N 2.93Å; E243-A245 PolarHBondContact O-N 3.44Å; E243-A245 VanDerWaalsContact O-N 3.1Å
244E57.3Low63.3Low151 Ų151123.6 Ų123.671%0.70665%0.651SS**  trans-83.432.1176.9-154.9167.9-14900112.3E240 E241 V246E240-E244 VanDerWaalsContact O-CB 3.25Å; E240-E244 WeakPolarHBondContact O-CB 3.18Å; E240-E244 PolarHBondContact O-N 3.44Å; E241-E244 PolarHBondContact O-N 2.81Å; E244-V246 PolarHBondContact O-N 2.9Å
245A55.4Low61.9Low72 Ų72119.9 Ų119.960%0.59564%0.641SS**  trans-58.6110.2171.200000110.2E243 G247E243-A245 PolarHBondContact O-N 3.44Å; E243-A245 VanDerWaalsContact O-N 3.1Å; A245-G247 PolarHBondContact O-N 3.32Å
246V58.8Low60.8Low158 Ų158116.5 Ų116.596%0.95863%0.633SS**SBendtrans-57.996.6173.4178.90000109.6E244E244-V246 PolarHBondContact O-N 2.9Å
247G67.6Low59.9Low49 Ų49112.3 Ų112.351%0.50563%0.63SS.*SBendtrans175.7166.4-179.800000111.2A245 M249A245-G247 PolarHBondContact O-N 3.32Å; G247-M249 PolarHBondContact O-N 2.82Å
248P71.2Confident59Low133 Ų133116.1 Ų116.186%0.86464%0.643SS**  trans-62.6113.5174.826-31.9000109.5L250P248-L250 PolarHBondContact O-N 2.94Å
249M66Low58.6Low152 Ų152116.9 Ų116.975%0.74965%0.65SS**PPolyproline II helixtrans-56.2128.5168-89.6174.868.100108.8G247 T252G247-M249 PolarHBondContact O-N 2.82Å; M249-T252 HydrophobicContact CE-CG2 4.22Å
250L62.4Low58.5Low137 Ų137116.9 Ų116.972%0.71766%0.66SS**PPolyproline II helixtrans-58.1137.2166.1-8196.9000108.2P248 T252P248-L250 PolarHBondContact O-N 2.94Å; L250-T252 PolarHBondContact O-N 3.49Å
251P58.6Low58.7Low104 Ų104112.8 Ų112.868%0.67564%0.642SS**PPolyproline II helixtrans-55.6128.9176.321.2-30000108.8A253P251-A253 PolarHBondContact O-N 3.31Å
252T55.3Low59.6Low100 Ų100112.5 Ų112.561%0.61365%0.645SS**  trans-70.927.7-18051.50000113.5M249 L250 E254 H255M249-T252 HydrophobicContact CE-CG2 4.22Å; L250-T252 PolarHBondContact O-N 3.49Å; T252-E254 PolarHBondContact O-N 2.77Å; T252-E254 VanDerWaalsContact O-N 3.14Å; T252-H255 VanDerWaalsContact CA-NE2 3.32Å; T252-H255 WeakPolarHBondContact CA-NE2 3.32Å; T252-H255 WeakPolarHBondContact CG2-NE2 3.26Å
253A44.9Very low60.5Low77 Ų77106.3 Ų106.364%0.63662%0.615SS**SBendtrans-72.5104.5170.900000107.9P251P251-A253 PolarHBondContact O-N 3.31Å
254E51.7Low61.4Low152 Ų152100.6 Ų100.671%0.7160%0.596SS**  trans67.952162.4-47.9-172.3-177.900116.1T252 S256 S257T252-E254 PolarHBondContact O-N 2.77Å; T252-E254 VanDerWaalsContact O-N 3.14Å; E254-S256 PolarHBondContact O-N 2.8Å; E254-S257 PolarHBondContact O-N 3.39Å
255H48.9Very low62.5Low90 Ų90105.3 Ų105.342%0.41761%0.607SS.*G310 helixtrans-61.812.1169.2-65.6-48.1000115.4T252 S257 L258T252-H255 VanDerWaalsContact CA-NE2 3.32Å; T252-H255 WeakPolarHBondContact CA-NE2 3.32Å; T252-H255 WeakPolarHBondContact CG2-NE2 3.26Å; H255-S257 PolarHBondContact O-N 3.03Å; H255-L258 WeakPolarHBondContact ND1-CD1 3.36Å
256S55.2Low63.8Low54 Ų54105.1 Ų105.138%0.37861%0.606SS.*G310 helixtrans-63.9-30.6164.799.50000110.6E254 L258 R334E254-S256 PolarHBondContact O-N 2.8Å; S256-L258 VanDerWaalsContact C-N 3.32Å; S256-L258 PolarHBondContact O-N 3.14Å; S256-R334 VanDerWaalsContact C-NH1 3.25Å; S256-R334 PolarHBondContact O-NH1 3.31Å; S256-R334 PolarHBondContact O-NH2 2.92Å; S256-R334 PolarHBondContact OG-NH1 2.9Å
257S55Low65Low86 Ų8698.5 Ų98.560%0.60157%0.565SS**G310 helixtrans-76.7-13.1-173.2-49.20000115.2E254 H255E254-S257 PolarHBondContact O-N 3.39Å; H255-S257 PolarHBondContact O-N 3.03Å
258L55.4Low65.7Low128 Ų128102.2 Ų102.267%0.6757%0.572SS**G310 helixtrans-98.1-16.7-169-62.3179.6000115H255 S256 P260H255-L258 WeakPolarHBondContact ND1-CD1 3.36Å; S256-L258 VanDerWaalsContact C-N 3.32Å; S256-L258 PolarHBondContact O-N 3.14Å; L258-P260 WeakPolarHBondContact O-CD 3.48Å
259I61.2Low66.3Low112 Ų112101.7 Ų101.757%0.57457%0.569SS**SBendtrans-79123.1174-57.4174.2000106.9L261I259-L261 HydrophobicContact CB-CD1 4.4Å; I259-L261 WeakPolarHBondContact O-CD1 3.31Å; I259-L261 PolarHBondContact O-N 2.64Å
260P63.6Low67.2Low125 Ų12597.1 Ų97.181%0.81256%0.561SS**  trans-59.1100173.8-22.533.8000109.5L258 D262L258-P260 WeakPolarHBondContact O-CD 3.48Å; P260-D262 PolarHBondContact O-N 3.41Å
261L67.9Low68.3Low30 Ų3092.8 Ų92.816%0.15754%0.537CS..  trans-69.6130.4175.4-98.366.6000108.5I259 Y263 R334I259-L261 HydrophobicContact CB-CD1 4.4Å; I259-L261 WeakPolarHBondContact O-CD1 3.31Å; I259-L261 PolarHBondContact O-N 2.64Å; L261-Y263 HydrophobicContact CB-CD1 4.36Å; L261-Y263 HydrophobicContact CB-CD2 4.09Å; L261-Y263 HydrophobicContact CB-CE1 3.86Å; L261-Y263 HydrophobicContact CB-CE2 3.57Å; L261-Y263 HydrophobicContact CB-CG 4.46Å; L261-Y263 VanDerWaalsContact CB-CZ 3.43Å; L261-Y263 HydrophobicContact CD2-CE1 3.91Å; L261-Y263 WeakPolarHBondContact O-CD2 3.4Å; L261-Y263 PolarHBondContact O-N 3.37Å; L261-R334 HydrophobicContact CD1-CG 4.46Å; L261-R334 HydrophobicContact CD2-CB 4.2Å; L261-R334 HydrophobicContact CD2-CG 4.11Å
262D77.5Confident69.7Low138 Ų13888 Ų8874%0.73851%0.506SS*.  trans-73.485.6167.3-175.912.5000108.3P260 G264P260-D262 PolarHBondContact O-N 3.41Å; D262-G264 PolarHBondContact O-N 3.48Å; D262-G264 WeakPolarHBondContact OD1-CA 3.39Å; D262-G264 PolarHBondContact OD1-N 3Å
263Y78.4Confident71.1Confident35 Ų3585.9 Ų85.914%0.13750%0.499CS..  trans-69.27.2171.3-60.1-74.8000112L261 A273 A276 Q326 I327 A330L261-Y263 HydrophobicContact CB-CD1 4.36Å; L261-Y263 HydrophobicContact CB-CD2 4.09Å; L261-Y263 HydrophobicContact CB-CE1 3.86Å; L261-Y263 HydrophobicContact CB-CE2 3.57Å; L261-Y263 HydrophobicContact CB-CG 4.46Å; L261-Y263 VanDerWaalsContact CB-CZ 3.43Å; L261-Y263 HydrophobicContact CD2-CE1 3.91Å; L261-Y263 WeakPolarHBondContact O-CD2 3.4Å; L261-Y263 PolarHBondContact O-N 3.37Å; Y263-A273 HydrophobicContact CE2-CB 4.24Å; Y263-A276 HydrophobicContact CE1-CB 3.78Å; Y263-A276 WeakPolarHBondContact OH-CB 3.27Å; Y263-Q326 WeakPolarHBondContact O-CG 3.3Å; Y263-Q326 PolarHBondContact O-NE2 3.44Å; Y263-I327 HydrophobicContact CD1-CG1 4.35Å; Y263-I327 HydrophobicContact CD1-CG2 4.27Å; Y263-I327 HydrophobicContact CE1-CG2 4.15Å; Y263-A330 HydrophobicContact CD1-CB 3.82Å; Y263-A330 HydrophobicContact CE1-CB 4.31Å
264G76.4Confident73.1Confident29 Ų2984.9 Ų84.930%0.29949%0.491SS..  trans85.2157.2177.600000114D262 A266 Q326D262-G264 PolarHBondContact O-N 3.48Å; D262-G264 WeakPolarHBondContact OD1-CA 3.39Å; D262-G264 PolarHBondContact OD1-N 3Å; G264-A266 PolarHBondContact O-N 3.18Å; G264-Q326 PolarHBondContact O-NE2 2.93Å
265R81.1Confident74.7Confident250 Ų25079.2 Ų79.294%0.94347%0.465SS*.THydrogen-bonded Turntrans-69.9-2.1-170.6-69.1173.5141.4-100.9-2.6116.4
266A82.7Confident76.5Confident68 Ų6875.3 Ų75.356%0.56245%0.448SS*.THydrogen-bonded Turntrans-90.5-9.6-176.600000113.9G264G264-A266 PolarHBondContact O-N 3.18Å
267L84.1Confident78Confident19 Ų1975 Ų7510%0.09945%0.448CS..SBendtrans-98.1149.8173.2-61.2179.3000110E271 G272 K323 I327L267-E271 HydrophobicContact CB-CB 4.28Å; L267-E271 HydrophobicContact CD2-CG 4.39Å; L267-G272 VanDerWaalsContact CD1-CA 3.49Å; L267-K323 HydrophobicContact CD2-CB 4.04Å; L267-K323 HydrophobicContact CD2-CD 3.87Å; L267-K323 HydrophobicContact CD2-CG 3.77Å; L267-I327 HydrophobicContact CD1-CD1 4.32Å; L267-I327 HydrophobicContact CD1-CG1 4.02Å
268L83.2Confident79.4Confident127 Ų12775.2 Ų75.267%0.66544%0.437SS*.PPolyproline II helixtrans-66.4148171.4-165.566000109.2G270 E271L268-G270 PolarHBondContact O-N 2.81Å; L268-E271 HydrophobicContact CB-CB 4.11Å; L268-E271 PolarHBondContact N-OE2 3.27Å; L268-E271 WeakPolarHBondContact O-CB 3.38Å; L268-E271 PolarHBondContact O-N 2.89Å
269P82.9Confident80.8Confident122 Ų12270.7 Ų70.779%0.79241%0.413SS*.THydrogen-bonded Turntrans-51.4127.2175.2-28.736.5000111.4E271P269-E271 VanDerWaalsContact C-N 3.32Å; P269-E271 PolarHBondContact O-N 2.82Å
270G83.9Confident81.8Confident56 Ų5669.1 Ų69.158%0.57742%0.416SS*.THydrogen-bonded Turntrans84.6-17.6-175.700000116L268 A274L268-G270 PolarHBondContact O-N 2.81Å; G270-A274 PolarHBondContact O-N 2.68Å; G270-A274 VanDerWaalsContact O-N 3.15Å
271E87.3Confident82.9Confident47 Ų4768.6 Ų68.622%0.2240%0.403CS..Hα-helixtrans-65.5-43.4179.7-177.6-177.3-179.800111.5L267 L268 P269 A274 M275 K323L267-E271 HydrophobicContact CB-CB 4.28Å; L267-E271 HydrophobicContact CD2-CG 4.39Å; L268-E271 HydrophobicContact CB-CB 4.11Å; L268-E271 PolarHBondContact N-OE2 3.27Å; L268-E271 WeakPolarHBondContact O-CB 3.38Å; L268-E271 PolarHBondContact O-N 2.89Å; P269-E271 VanDerWaalsContact C-N 3.32Å; P269-E271 PolarHBondContact O-N 2.82Å; E271-A274 PolarHBondContact O-N 3.24Å; E271-M275 HydrophobicContact CG-CE 3.67Å; E271-M275 HydrophobicContact CG-SD 4.23Å; E271-M275 WeakPolarHBondContact O-CG 3.44Å; E271-M275 PolarHBondContact O-N 3.44Å; E271-M275 WeakPolarHBondContact OE1-CE 3.29Å; E271-K323 IonicContact OE1-NZ 3.97Å; E271-K323 PolarHBondContact OE1-NZ 2.73Å; E271-K323 IonicContact OE2-NZ 2.75Å
272G86.3Confident83.6Confident3 Ų370.6 Ų70.63%0.03143%0.431CS..Hα-helixtrans-63.4-43.8179.300000113.1L267 A274 M275 A276L267-G272 VanDerWaalsContact CD1-CA 3.49Å; G272-A274 VanDerWaalsContact C-N 3.35Å; G272-A274 PolarHBondContact O-N 2.92Å; G272-M275 PolarHBondContact O-N 2.61Å; G272-A276 VanDerWaalsContact O-CB 3.3Å; G272-A276 WeakPolarHBondContact O-CB 3.45Å; G272-A276 PolarHBondContact O-N 3.48Å
273A86.4Confident83.9Confident56 Ų5668.6 Ų68.646%0.46342%0.415SS..Hα-helixtrans-62.9-41.9177.300000111.7Y263 A276 A277Y263-A273 HydrophobicContact CE2-CB 4.24Å; A273-A276 PolarHBondContact O-N 2.9Å; A273-A277 PolarHBondContact O-N 3.41Å
274A85.7Confident84.1Confident55 Ų5569.3 Ų69.346%0.45542%0.418SS..Hα-helixtrans-63.3-44.4175.900000112G270 E271 G272 A277 Y278G270-A274 PolarHBondContact O-N 2.68Å; G270-A274 VanDerWaalsContact O-N 3.15Å; E271-A274 PolarHBondContact O-N 3.24Å; G272-A274 VanDerWaalsContact C-N 3.35Å; G272-A274 PolarHBondContact O-N 2.92Å; A274-A277 PolarHBondContact O-N 3.41Å; A274-Y278 VanDerWaalsContact O-CD2 3.31Å; A274-Y278 WeakPolarHBondContact O-CD2 3.1Å
275M85.1Confident84.3Confident34 Ų3468.5 Ų68.517%0.16741%0.407CS..Hα-helixtrans-67.8-38.3178.4-67.8-177.4175.700112.5E271 G272 A277 Y278 I279 I285 I327E271-M275 HydrophobicContact CG-CE 3.67Å; E271-M275 HydrophobicContact CG-SD 4.23Å; E271-M275 WeakPolarHBondContact O-CG 3.44Å; E271-M275 PolarHBondContact O-N 3.44Å; E271-M275 WeakPolarHBondContact OE1-CE 3.29Å; G272-M275 PolarHBondContact O-N 2.61Å; M275-A277 VanDerWaalsContact C-N 3.32Å; M275-A277 PolarHBondContact O-N 3.2Å; M275-Y278 PolarHBondContact O-N 2.94Å; M275-I279 PolarHBondContact O-N 3.48Å; M275-I279 VanDerWaalsContact O-N 3.17Å; M275-I285 HydrophobicContact CB-CD1 4.04Å; M275-I285 HydrophobicContact CB-CG1 4.26Å; M275-I285 HydrophobicContact CB-CG2 4.39Å; M275-I285 HydrophobicContact CE-CG2 4.37Å; M275-I285 HydrophobicContact CG-CD1 4.42Å; M275-I285 HydrophobicContact CG-CG2 3.85Å; M275-I285 HydrophobicContact SD-CG2 4.3Å; M275-I327 HydrophobicContact CB-CD1 3.29Å; M275-I327 HydrophobicContact CB-CG1 4.41Å; M275-I327 HydrophobicContact CG-CD1 3.93Å; M275-I327 HydrophobicContact SD-CD1 3.39Å; M275-I327 WeakPolarHBondContact SD-CD1 3.45Å
276A86.5Confident84.3Confident7 Ų759.1 Ų59.16%0.05838%0.378CS..Hα-helixtrans-63.8-36.6176.500000112Y263 G272 A273 Y278 I279 A280 I327Y263-A276 HydrophobicContact CE1-CB 3.78Å; Y263-A276 WeakPolarHBondContact OH-CB 3.27Å; G272-A276 VanDerWaalsContact O-CB 3.3Å; G272-A276 WeakPolarHBondContact O-CB 3.45Å; G272-A276 PolarHBondContact O-N 3.48Å; A273-A276 PolarHBondContact O-N 2.9Å; A276-Y278 PolarHBondContact O-N 2.81Å; A276-I279 PolarHBondContact O-N 2.67Å; A276-A280 WeakPolarHBondContact O-CB 3.38Å; A276-A280 PolarHBondContact O-N 3.19Å; A276-I327 HydrophobicContact CB-CG2 3.99Å
277A86.6Confident84.2Confident47 Ų4758.3 Ų58.339%0.38836%0.361SS..Hα-helixtrans-59-44.5174.700000112.2A273 A274 M275 I279 A280 E281A273-A277 PolarHBondContact O-N 3.41Å; A274-A277 PolarHBondContact O-N 3.41Å; M275-A277 VanDerWaalsContact C-N 3.32Å; M275-A277 PolarHBondContact O-N 3.2Å; A277-I279 VanDerWaalsContact C-N 3.35Å; A277-I279 PolarHBondContact O-N 3.22Å; A277-A280 PolarHBondContact O-N 3.04Å; A277-E281 WeakPolarHBondContact O-CG 3.31Å; A277-E281 PolarHBondContact O-N 3.36Å
278Y85.6Confident83.8Confident92 Ų9268.5 Ų68.536%0.36140%0.398SS..Hα-helixtrans-62.3-42174.7-79.5-83.6000112A274 M275 A276 E281 G282 K283 P286A274-Y278 VanDerWaalsContact O-CD2 3.31Å; A274-Y278 WeakPolarHBondContact O-CD2 3.1Å; M275-Y278 PolarHBondContact O-N 2.94Å; A276-Y278 PolarHBondContact O-N 2.81Å; Y278-E281 PolarHBondContact O-N 2.75Å; Y278-G282 PolarHBondContact O-N 3.1Å; Y278-K283 CarbonylContact C-O 3.47Å; Y278-K283 HydrophobicContact CD1-CB 4.06Å; Y278-K283 HydrophobicContact CD1-CD 4.45Å; Y278-K283 WeakPolarHBondContact O-CA 2.97Å; Y278-K283 WeakPolarHBondContact O-CB 3.11Å; Y278-K283 PolarHBondContact O-N 3.01Å; Y278-K283 VanDerWaalsContact O-O 3.08Å; Y278-P286 HydrophobicContact CD1-CG 4.17Å; Y278-P286 HydrophobicContact CD2-CG 4.34Å; Y278-P286 HydrophobicContact CE1-CG 3.73Å; Y278-P286 HydrophobicContact CE2-CG 3.94Å; Y278-P286 HydrophobicContact CG-CG 4.47Å
279I83.6Confident83.5Confident32 Ų3264.8 Ų64.816%0.16439%0.39CS..Hα-helixtrans-65-42.5178.3-69.7166.2000111.1M275 A276 A277 E281 G282 I285 I327 Y328M275-I279 PolarHBondContact O-N 3.48Å; M275-I279 VanDerWaalsContact O-N 3.17Å; A276-I279 PolarHBondContact O-N 2.67Å; A277-I279 VanDerWaalsContact C-N 3.35Å; A277-I279 PolarHBondContact O-N 3.22Å; I279-E281 VanDerWaalsContact C-N 3.28Å; I279-E281 PolarHBondContact O-N 3.35Å; I279-G282 WeakPolarHBondContact O-CA 3.35Å; I279-G282 PolarHBondContact O-N 2.81Å; I279-I285 HydrophobicContact CD1-CD1 3.6Å; I279-I285 HydrophobicContact CD1-CG1 4.24Å; I279-I285 HydrophobicContact CG1-CD1 3.95Å; I279-I285 HydrophobicContact CG1-CG1 4.03Å; I279-I327 HydrophobicContact CD1-CB 4.1Å; I279-I327 HydrophobicContact CD1-CG2 3.54Å; I279-Y328 HydrophobicContact CD1-CD1 4.21Å; I279-Y328 HydrophobicContact CD1-CE1 3.8Å; I279-Y328 HydrophobicContact CG1-CE1 4.1Å; I279-Y328 HydrophobicContact CG2-CD1 4.32Å; I279-Y328 HydrophobicContact CG2-CE1 3.8Å
280A83.7Confident83.6Confident79 Ų7959.1 Ų59.165%0.65335%0.353SS*.Hα-helixtrans-61.4-37.4177.100000111.7A276 A277 G282A276-A280 WeakPolarHBondContact O-CB 3.38Å; A276-A280 PolarHBondContact O-N 3.19Å; A277-A280 PolarHBondContact O-N 3.04Å; A280-G282 PolarHBondContact O-N 3.06Å
281E85.3Confident83.2Confident115 Ų11563.5 Ų63.554%0.53736%0.361SS..THydrogen-bonded Turntrans-72.4-0.6172.1-68.4176.9-164.900113.7A277 Y278 I279 K283A277-E281 WeakPolarHBondContact O-CG 3.31Å; A277-E281 PolarHBondContact O-N 3.36Å; Y278-E281 PolarHBondContact O-N 2.75Å; I279-E281 VanDerWaalsContact C-N 3.28Å; I279-E281 PolarHBondContact O-N 3.35Å; E281-K283 HydrophobicContact CB-CD 4.01Å; E281-K283 HydrophobicContact CB-CG 4.05Å; E281-K283 PolarHBondContact O-N 3.47Å; E281-K283 VanDerWaalsContact OE2-CD 3.29Å; E281-K283 WeakPolarHBondContact OE2-CD 3.19Å; E281-K283 VanDerWaalsContact OE2-CE 3.25Å; E281-K283 WeakPolarHBondContact OE2-CE 3.44Å; E281-K283 IonicContact OE2-NZ 3.87Å; E281-K283 PolarHBondContact OE2-NZ 2.97Å
282G83.5Confident82.9Confident71 Ų7165 Ų6573%0.73239%0.389SS*.THydrogen-bonded Turntrans7114.4-175.100000113.6Y278 I279 A280Y278-G282 PolarHBondContact O-N 3.1Å; I279-G282 WeakPolarHBondContact O-CA 3.35Å; I279-G282 PolarHBondContact O-N 2.81Å; A280-G282 PolarHBondContact O-N 3.06Å
283K84.3Confident82.9Confident96 Ų9668 Ų6842%0.41741%0.405SS..PPolyproline II helixtrans-95.8148.4-176.1-64.7175.9-171.4164.80111.4Y278 E281 P295Y278-K283 CarbonylContact C-O 3.47Å; Y278-K283 HydrophobicContact CD1-CB 4.06Å; Y278-K283 HydrophobicContact CD1-CD 4.45Å; Y278-K283 WeakPolarHBondContact O-CA 2.97Å; Y278-K283 WeakPolarHBondContact O-CB 3.11Å; Y278-K283 PolarHBondContact O-N 3.01Å; Y278-K283 VanDerWaalsContact O-O 3.08Å; E281-K283 HydrophobicContact CB-CD 4.01Å; E281-K283 HydrophobicContact CB-CG 4.05Å; E281-K283 PolarHBondContact O-N 3.47Å; E281-K283 VanDerWaalsContact OE2-CD 3.29Å; E281-K283 WeakPolarHBondContact OE2-CD 3.19Å; E281-K283 VanDerWaalsContact OE2-CE 3.25Å; E281-K283 WeakPolarHBondContact OE2-CE 3.44Å; E281-K283 IonicContact OE2-NZ 3.87Å; E281-K283 PolarHBondContact OE2-NZ 2.97Å; K283-P295 HydrophobicContact CB-CG 4.45Å; K283-P295 HydrophobicContact CD-CG 4.4Å
284R82.1Confident82.9Confident50 Ų5068.5 Ų68.519%0.18940%0.402CS..PPolyproline II helixtrans-66.1132.3172.6-176.3177.3164.4-71.17.6110.2P286 E290 I298 E302R284-P286 WeakPolarHBondContact O-CD 3.26Å; R284-E290 IonicContact CZ-OE1 3.95Å; R284-E290 IonicContact CZ-OE2 3.74Å; R284-E290 IonicContact NH1-OE1 2.73Å; R284-E290 IonicContact NH1-OE2 2.68Å; R284-E290 PolarHBondContact NH1-OE2 3.46Å; R284-E290 VanDerWaalsContact NH2-CD 3.3Å; R284-E290 IonicContact NH2-OE1 3.75Å; R284-E290 PolarHBondContact NH2-OE1 3.32Å; R284-E290 IonicContact NH2-OE2 3.51Å; R284-E290 PolarHBondContact NH2-OE2 3.29Å; R284-I298 VanDerWaalsContact NH2-CG2 3.26Å; R284-E302 IonicContact CZ-OE1 3.9Å; R284-E302 IonicContact CZ-OE2 3.52Å; R284-E302 IonicContact NE-OE1 2.75Å; R284-E302 IonicContact NE-OE2 3.53Å; R284-E302 PolarHBondContact NE-OE2 3.34Å; R284-E302 VanDerWaalsContact NE-OE2 3.11Å; R284-E302 IonicContact NH2-OE1 3.71Å; R284-E302 PolarHBondContact NH2-OE1 2.81Å; R284-E302 IonicContact NH2-OE2 2.73Å
285I80.4Confident82.9Confident13 Ų1367.9 Ų67.97%0.06739%0.393CS..PPolyproline II helixtrans-61.9127177.2-64.2162000109.9M275 I279 R287 E324 I327M275-I285 HydrophobicContact CB-CD1 4.04Å; M275-I285 HydrophobicContact CB-CG1 4.26Å; M275-I285 HydrophobicContact CB-CG2 4.39Å; M275-I285 HydrophobicContact CE-CG2 4.37Å; M275-I285 HydrophobicContact CG-CD1 4.42Å; M275-I285 HydrophobicContact CG-CG2 3.85Å; M275-I285 HydrophobicContact SD-CG2 4.3Å; I279-I285 HydrophobicContact CD1-CD1 3.6Å; I279-I285 HydrophobicContact CD1-CG1 4.24Å; I279-I285 HydrophobicContact CG1-CD1 3.95Å; I279-I285 HydrophobicContact CG1-CG1 4.03Å; I285-R287 PolarHBondContact O-N 2.62Å; I285-E324 HydrophobicContact CD1-CG 3.88Å; I285-I327 HydrophobicContact CD1-CD1 4.29Å
286P81.6Confident83.1Confident53 Ų5373.7 Ų73.734%0.34442%0.42SS..PPolyproline II helixtrans-60.4128.8177.7-24.333.6000112.5Y278 R284Y278-P286 HydrophobicContact CD1-CG 4.17Å; Y278-P286 HydrophobicContact CD2-CG 4.34Å; Y278-P286 HydrophobicContact CE1-CG 3.73Å; Y278-P286 HydrophobicContact CE2-CG 3.94Å; Y278-P286 HydrophobicContact CG-CG 4.47Å; R284-P286 WeakPolarHBondContact O-CD 3.26Å
287R80.7Confident83.3Confident51 Ų5177.3 Ų77.319%0.19244%0.435CS..PPolyproline II helixtrans-96.3159.7175.2-46.6177.4-177.4145.71.8111I285 G289 E290 E302I285-R287 PolarHBondContact O-N 2.62Å; R287-G289 PolarHBondContact O-N 3.07Å; R287-E290 VanDerWaalsContact CB-CD 3.44Å; R287-E290 HydrophobicContact CB-CG 4.08Å; R287-E290 VanDerWaalsContact CB-OE2 3.27Å; R287-E290 WeakPolarHBondContact CB-OE2 3.28Å; R287-E290 WeakPolarHBondContact CD-OE1 3.25Å; R287-E290 VanDerWaalsContact CG-OE2 3.3Å; R287-E290 WeakPolarHBondContact CG-OE2 3.43Å; R287-E290 PolarHBondContact N-OE2 3.23Å; R287-E290 IonicContact NH1-OE1 3.32Å; R287-E290 WeakPolarHBondContact O-CB 3.16Å; R287-E290 PolarHBondContact O-N 2.91Å; R287-E302 IonicContact CZ-OE1 3.4Å; R287-E302 IonicContact NH1-OE1 2.68Å; R287-E302 PolarHBondContact NH1-OE1 3.34Å; R287-E302 IonicContact NH2-OE1 3.2Å
288R75.8Confident83.2Confident233 Ų23375.3 Ų75.388%0.87942%0.418SS*.THydrogen-bonded Turntrans-63.8121.9175.9-177.1178.1179.5-129.5-1110.2
289G76.5Confident83.2Confident48 Ų4875.5 Ų75.550%0.49542%0.422SS..THydrogen-bonded Turntrans100.2-3.8-174.900000113.8R287R287-G289 PolarHBondContact O-N 3.07Å
290E83.6Confident83.6Confident3 Ų376.1 Ų76.11%0.01443%0.43CS..  trans-108.7-1.3174.7-51.3177.2168.200111.7R284 R287 G292 L293 I298 M308R284-E290 IonicContact CZ-OE1 3.95Å; R284-E290 IonicContact CZ-OE2 3.74Å; R284-E290 IonicContact NH1-OE1 2.73Å; R284-E290 IonicContact NH1-OE2 2.68Å; R284-E290 PolarHBondContact NH1-OE2 3.46Å; R284-E290 VanDerWaalsContact NH2-CD 3.3Å; R284-E290 IonicContact NH2-OE1 3.75Å; R284-E290 PolarHBondContact NH2-OE1 3.32Å; R284-E290 IonicContact NH2-OE2 3.51Å; R284-E290 PolarHBondContact NH2-OE2 3.29Å; R287-E290 VanDerWaalsContact CB-CD 3.44Å; R287-E290 HydrophobicContact CB-CG 4.08Å; R287-E290 VanDerWaalsContact CB-OE2 3.27Å; R287-E290 WeakPolarHBondContact CB-OE2 3.28Å; R287-E290 WeakPolarHBondContact CD-OE1 3.25Å; R287-E290 VanDerWaalsContact CG-OE2 3.3Å; R287-E290 WeakPolarHBondContact CG-OE2 3.43Å; R287-E290 PolarHBondContact N-OE2 3.23Å; R287-E290 IonicContact NH1-OE1 3.32Å; R287-E290 WeakPolarHBondContact O-CB 3.16Å; R287-E290 PolarHBondContact O-N 2.91Å; E290-G292 PolarHBondContact O-N 2.9Å; E290-G292 VanDerWaalsContact O-N 3.1Å; E290-L293 PolarHBondContact O-N 2.85Å; E290-I298 HydrophobicContact CB-CD1 3.77Å; E290-I298 HydrophobicContact CB-CG1 4.5Å; E290-I298 HydrophobicContact CG-CD1 4.45Å; E290-M308 HydrophobicContact CB-CE 4.45Å; E290-M308 HydrophobicContact CG-CB 4.42Å; E290-M308 HydrophobicContact CG-CE 3.81Å; E290-M308 HydrophobicContact CG-CG 4.43Å
291I76.1Confident83.9Confident148 Ų14875.7 Ų75.776%0.75941%0.413SS*.THydrogen-bonded Turntrans-64.9112.7177.8-56.6170.1000107.7
292G82.2Confident83.9Confident78 Ų7873.4 Ų73.480%0.80440%0.402SS*.THydrogen-bonded Turntrans115-7.9-175.600000114.3E290E290-G292 PolarHBondContact O-N 2.9Å; E290-G292 VanDerWaalsContact O-N 3.1Å
293L85.3Confident84.2Confident68 Ų6877.3 Ų77.336%0.35640%0.399SS..SBendtrans-103.6145.1167.3-62.8174.3000109.8E290 I298 F301 M308E290-L293 PolarHBondContact O-N 2.85Å; L293-I298 HydrophobicContact CB-CD1 4.05Å; L293-I298 HydrophobicContact CB-CG1 3.72Å; L293-I298 HydrophobicContact CD1-CG1 4.23Å; L293-F301 HydrophobicContact CD1-CE2 4.4Å; L293-F301 HydrophobicContact CD2-CE2 4.47Å; L293-M308 HydrophobicContact CD1-CE 3.58Å
294T87.4Confident84.5Confident66 Ų6679.1 Ų79.141%0.40541%0.409SS..  trans-72.6151.2173.563.80000110.4E296 E297 I298T294-E296 PolarHBondContact O-N 3Å; T294-E297 WeakPolarHBondContact CB-OE2 3.16Å; T294-E297 PolarHBondContact N-OE2 3.02Å; T294-E297 PolarHBondContact O-N 3.21Å; T294-E297 WeakPolarHBondContact OG1-CB 3.21Å; T294-E297 WeakPolarHBondContact OG1-CG 3.38Å; T294-E297 PolarHBondContact OG1-N 2.89Å; T294-E297 PolarHBondContact OG1-OE2 2.87Å; T294-I298 WeakPolarHBondContact O-CG1 3.18Å; T294-I298 PolarHBondContact O-N 2.99Å; T294-I298 VanDerWaalsContact O-N 3.08Å
295P85.2Confident84.8Confident41 Ų4179.3 Ų79.327%0.26643%0.427SS..Hα-helixtrans-55.1-35.7176.8-26.535.2000113.2K283 I298 E299K283-P295 HydrophobicContact CB-CG 4.45Å; K283-P295 HydrophobicContact CD-CG 4.4Å; P295-I298 PolarHBondContact O-N 3.3Å; P295-E299 PolarHBondContact O-N 3.32Å
296E88.9Confident85.1Confident157 Ų15785.7 Ų85.773%0.73445%0.451SS*.Hα-helixtrans-66.6-44178.9-63.6175.7-17100112.1T294 I298 E299 S300T294-E296 PolarHBondContact O-N 3Å; E296-I298 VanDerWaalsContact C-N 3.33Å; E296-I298 PolarHBondContact O-N 3.26Å; E296-E299 PolarHBondContact O-N 2.73Å; E296-S300 PolarHBondContact O-N 3.48Å
297E90.2Very high85Confident82 Ų8286.6 Ų86.638%0.38346%0.456SS..Hα-helixtrans-63.4-39.8174.5-73.4164.7149.800111.7T294 E299 S300 F301T294-E297 WeakPolarHBondContact CB-OE2 3.16Å; T294-E297 PolarHBondContact N-OE2 3.02Å; T294-E297 PolarHBondContact O-N 3.21Å; T294-E297 WeakPolarHBondContact OG1-CB 3.21Å; T294-E297 WeakPolarHBondContact OG1-CG 3.38Å; T294-E297 PolarHBondContact OG1-N 2.89Å; T294-E297 PolarHBondContact OG1-OE2 2.87Å; E297-E299 VanDerWaalsContact C-N 3.3Å; E297-E299 PolarHBondContact O-N 2.75Å; E297-S300 PolarHBondContact O-N 2.87Å; E297-S300 PolarHBondContact O-OG 3.45Å; E297-F301 HydrophobicContact CB-CE2 4.15Å; E297-F301 WeakPolarHBondContact O-CD2 3.48Å; E297-F301 VanDerWaalsContact O-CG 3.31Å; E297-F301 WeakPolarHBondContact O-CG 3.48Å; E297-F301 PolarHBondContact O-N 3.3Å
298I84.5Confident84.8Confident5 Ų585.5 Ų85.53%0.02645%0.453CS..Hα-helixtrans-66.4-39.5178.8-59.2159.5000110.2R284 E290 L293 T294 P295 E296 F301 E302 M308R284-I298 VanDerWaalsContact NH2-CG2 3.26Å; E290-I298 HydrophobicContact CB-CD1 3.77Å; E290-I298 HydrophobicContact CB-CG1 4.5Å; E290-I298 HydrophobicContact CG-CD1 4.45Å; L293-I298 HydrophobicContact CB-CD1 4.05Å; L293-I298 HydrophobicContact CB-CG1 3.72Å; L293-I298 HydrophobicContact CD1-CG1 4.23Å; T294-I298 WeakPolarHBondContact O-CG1 3.18Å; T294-I298 PolarHBondContact O-N 2.99Å; T294-I298 VanDerWaalsContact O-N 3.08Å; P295-I298 PolarHBondContact O-N 3.3Å; E296-I298 VanDerWaalsContact C-N 3.33Å; E296-I298 PolarHBondContact O-N 3.26Å; I298-F301 PolarHBondContact O-N 2.8Å; I298-E302 HydrophobicContact CG2-CG 4.35Å; I298-E302 WeakPolarHBondContact O-CB 3.41Å; I298-E302 WeakPolarHBondContact O-CG 3.37Å; I298-E302 PolarHBondContact O-N 3.11Å; I298-M308 HydrophobicContact CG2-CG 4.29Å
299E86.6Confident84.6Confident97 Ų9778.3 Ų78.345%0.45344%0.438SS..Hα-helixtrans-64.9-40176.8-161.6-169.4163.800111.9P295 E296 E297 E302 K303P295-E299 PolarHBondContact O-N 3.32Å; E296-E299 PolarHBondContact O-N 2.73Å; E297-E299 VanDerWaalsContact C-N 3.3Å; E297-E299 PolarHBondContact O-N 2.75Å; E299-E302 PolarHBondContact O-N 3.17Å; E299-K303 HydrophobicContact CG-CD 4.42Å; E299-K303 WeakPolarHBondContact O-CB 3.47Å; E299-K303 VanDerWaalsContact O-CG 3.24Å; E299-K303 WeakPolarHBondContact O-CG 3.37Å; E299-K303 PolarHBondContact O-N 3.44Å; E299-K303 WeakPolarHBondContact OE1-CE 3.47Å; E299-K303 IonicContact OE1-NZ 3.74Å; E299-K303 PolarHBondContact OE1-NZ 3.31Å; E299-K303 IonicContact OE2-NZ 3.81Å
300S91.4Very high84.3Confident45 Ų4578 Ų7832%0.31544%0.435SS..Hα-helixtrans-65.2-44.8175.766.50000111.8E296 E297 E302 K303 E304E296-S300 PolarHBondContact O-N 3.48Å; E297-S300 PolarHBondContact O-N 2.87Å; E297-S300 PolarHBondContact O-OG 3.45Å; S300-E302 PolarHBondContact O-N 3.46Å; S300-K303 WeakPolarHBondContact O-CB 3.45Å; S300-K303 PolarHBondContact O-N 3.04Å; S300-E304 WeakPolarHBondContact O-CG 3.32Å; S300-E304 PolarHBondContact O-N 3.35Å
301F89.5Confident83.9Confident70 Ų7079.2 Ų79.231%0.30744%0.444SS..Hα-helixtrans-61.9-41.3175.6-68.1-42.4000112.5L293 E297 I298 E304 G305 Y306L293-F301 HydrophobicContact CD1-CE2 4.4Å; L293-F301 HydrophobicContact CD2-CE2 4.47Å; E297-F301 HydrophobicContact CB-CE2 4.15Å; E297-F301 WeakPolarHBondContact O-CD2 3.48Å; E297-F301 VanDerWaalsContact O-CG 3.31Å; E297-F301 WeakPolarHBondContact O-CG 3.48Å; E297-F301 PolarHBondContact O-N 3.3Å; I298-F301 PolarHBondContact O-N 2.8Å; F301-E304 PolarHBondContact O-N 3.46Å; F301-G305 PolarHBondContact O-N 3.16Å; F301-Y306 HydrophobicContact CB-CD2 4.35Å; F301-Y306 HydrophobicContact CD1-CD2 4.08Å; F301-Y306 HydrophobicContact CD1-CE2 4.49Å; F301-Y306 WeakPolarHBondContact O-CB 3.45Å; F301-Y306 PolarHBondContact O-N 2.95Å
302E86.9Confident83.9Confident67 Ų6781.7 Ų81.731%0.31344%0.444SS..Hα-helixtrans-64.6-38.7175.7-74.9-177157.200111.4R284 R287 I298 E299 S300 G305R284-E302 IonicContact CZ-OE1 3.9Å; R284-E302 IonicContact CZ-OE2 3.52Å; R284-E302 IonicContact NE-OE1 2.75Å; R284-E302 IonicContact NE-OE2 3.53Å; R284-E302 PolarHBondContact NE-OE2 3.34Å; R284-E302 VanDerWaalsContact NE-OE2 3.11Å; R284-E302 IonicContact NH2-OE1 3.71Å; R284-E302 PolarHBondContact NH2-OE1 2.81Å; R284-E302 IonicContact NH2-OE2 2.73Å; R287-E302 IonicContact CZ-OE1 3.4Å; R287-E302 IonicContact NH1-OE1 2.68Å; R287-E302 PolarHBondContact NH1-OE1 3.34Å; R287-E302 IonicContact NH2-OE1 3.2Å; I298-E302 HydrophobicContact CG2-CG 4.35Å; I298-E302 WeakPolarHBondContact O-CB 3.41Å; I298-E302 WeakPolarHBondContact O-CG 3.37Å; I298-E302 PolarHBondContact O-N 3.11Å; E299-E302 PolarHBondContact O-N 3.17Å; S300-E302 PolarHBondContact O-N 3.46Å; E302-G305 PolarHBondContact O-N 3.17Å; E302-G305 VanDerWaalsContact O-N 3.16Å
303K88.5Confident84.1Confident152 Ų15282.4 Ų82.466%0.66143%0.426SS*.Hα-helixtrans-64.4-38.4174.9-76.8168.9-177.9164.50112.8E299 S300 G305E299-K303 HydrophobicContact CG-CD 4.42Å; E299-K303 WeakPolarHBondContact O-CB 3.47Å; E299-K303 VanDerWaalsContact O-CG 3.24Å; E299-K303 WeakPolarHBondContact O-CG 3.37Å; E299-K303 PolarHBondContact O-N 3.44Å; E299-K303 WeakPolarHBondContact OE1-CE 3.47Å; E299-K303 IonicContact OE1-NZ 3.74Å; E299-K303 PolarHBondContact OE1-NZ 3.31Å; E299-K303 IonicContact OE2-NZ 3.81Å; S300-K303 WeakPolarHBondContact O-CB 3.45Å; S300-K303 PolarHBondContact O-N 3.04Å; K303-G305 PolarHBondContact O-N 3.43Å
304E91.2Very high84.1Confident134 Ų13489.5 Ų89.563%0.62645%0.448SS*.Hα-helixtrans-73.4-9.3175.5-70.5176.7-170.700113.2S300 F301 Y306S300-E304 WeakPolarHBondContact O-CG 3.32Å; S300-E304 PolarHBondContact O-N 3.35Å; F301-E304 PolarHBondContact O-N 3.46Å; E304-Y306 HydrophobicContact CB-CD2 3.88Å; E304-Y306 HydrophobicContact CB-CE2 4.03Å; E304-Y306 WeakPolarHBondContact OE2-CE2 3.49Å
305G87.8Confident84.1Confident55 Ų5596 Ų9657%0.56747%0.465SS*.THydrogen-bonded Turntrans92.310.4177.800000114.5F301 E302 K303F301-G305 PolarHBondContact O-N 3.16Å; E302-G305 PolarHBondContact O-N 3.17Å; E302-G305 VanDerWaalsContact O-N 3.16Å; K303-G305 PolarHBondContact O-N 3.43Å
306Y87.1Confident83.9Confident147 Ų14799.2 Ų99.258%0.57648%0.478SS*.  trans-68.6134.8169.6-68.4-79.8000110.2F301 E304F301-Y306 HydrophobicContact CB-CD2 4.35Å; F301-Y306 HydrophobicContact CD1-CD2 4.08Å; F301-Y306 HydrophobicContact CD1-CE2 4.49Å; F301-Y306 WeakPolarHBondContact O-CB 3.45Å; F301-Y306 PolarHBondContact O-N 2.95Å; E304-Y306 HydrophobicContact CB-CD2 3.88Å; E304-Y306 HydrophobicContact CB-CE2 4.03Å; E304-Y306 WeakPolarHBondContact OE2-CE2 3.49Å
307V78.9Confident83.6Confident72 Ų7295 Ų9544%0.43646%0.458SS..  trans-105.8111.4-179.3-173.90000109.4R312V307-R312 HydrophobicContact CB-CG 4.44Å; V307-R312 HydrophobicContact CG1-CG 3.46Å; V307-R312 VanDerWaalsContact CG1-CG 3.46Å
308M77.1Confident83.4Confident28 Ų2893.7 Ų93.714%0.13846%0.461CS..  trans-60.8151.3178.1-60-52.9-76.100112.3E290 L293 I298 G310 S311E290-M308 HydrophobicContact CB-CE 4.45Å; E290-M308 HydrophobicContact CG-CB 4.42Å; E290-M308 HydrophobicContact CG-CE 3.81Å; E290-M308 HydrophobicContact CG-CG 4.43Å; L293-M308 HydrophobicContact CD1-CE 3.58Å; I298-M308 HydrophobicContact CG2-CG 4.29Å; M308-G310 PolarHBondContact O-N 3.2Å; M308-G310 VanDerWaalsContact O-N 3.14Å; M308-S311 PolarHBondContact O-N 3.46Å; M308-S311 VanDerWaalsContact O-N 3.15Å
309S71Confident83.3Confident81 Ų8196.8 Ų96.857%0.56648%0.48SS*.THydrogen-bonded Turntrans-59.5120.3176.466.70000109.9
310G70.9Confident83.3Confident42 Ų4294.6 Ų94.643%0.43347%0.468SS..THydrogen-bonded Turntrans108.9-27.2-178.900000114.6M308 R312 H313M308-G310 PolarHBondContact O-N 3.2Å; M308-G310 VanDerWaalsContact O-N 3.14Å; G310-R312 VanDerWaalsContact C-N 3.28Å; G310-R312 PolarHBondContact O-N 2.67Å; G310-H313 PolarHBondContact O-N 3.33Å
311S74.5Confident83Confident28 Ų2895.8 Ų95.820%0.19647%0.47CS..THydrogen-bonded Turntrans-70.8-18.6-178.3-55.70000113.9M308M308-S311 PolarHBondContact O-N 3.46Å; M308-S311 VanDerWaalsContact O-N 3.15Å
312R77Confident83Confident201 Ų201100.6 Ų100.676%0.75849%0.486SS*.THydrogen-bonded Turntrans-78-15.1177.7-62.6-177.3-178.8160.60.9114.3V307 G310 R314V307-R312 HydrophobicContact CB-CG 4.44Å; V307-R312 HydrophobicContact CG1-CG 3.46Å; V307-R312 VanDerWaalsContact CG1-CG 3.46Å; G310-R312 VanDerWaalsContact C-N 3.28Å; G310-R312 PolarHBondContact O-N 2.67Å; R312-R314 PolarHBondContact O-N 2.86Å
313H85.4Confident83Confident92 Ų92100.3 Ų100.343%0.42648%0.484SS..  trans-97.897.6-171-170.679.8000111.5G310 R315 M316 E317G310-H313 PolarHBondContact O-N 3.33Å; H313-R315 PolarHBondContact O-N 3.36Å; H313-M316 HydrophobicContact CB-CB 4.28Å; H313-M316 HydrophobicContact CB-CE 3.34Å; H313-M316 VanDerWaalsContact CD2-CG 3.48Å; H313-M316 WeakPolarHBondContact CD2-CG 3.1Å; H313-M316 PolarHBondContact CD2-N 3.04Å; H313-M316 VanDerWaalsContact CD2-N 3.31Å; H313-M316 PolarHBondContact O-N 3.41Å; H313-E317 PolarHBondContact O-N 3.3Å
314R86.5Confident82.9Confident217 Ų21794.3 Ų94.382%0.81946%0.458SS*.Hα-helixtrans-46.8-39.5-175.1-63.5-175.6180-177.6-0.6115R312 A318R312-R314 PolarHBondContact O-N 2.86Å; R314-A318 WeakPolarHBondContact O-CB 3.36Å; R314-A318 PolarHBondContact O-N 2.96Å
315R87.3Confident82.7Confident204 Ų20492.1 Ų92.177%0.7745%0.451SS*.Hα-helixtrans-71.4-35.5-179.6-62.8-177.4-179173.41.2112.8H313 V319H313-R315 PolarHBondContact O-N 3.36Å; R315-V319 WeakPolarHBondContact O-CG2 3.4Å; R315-V319 PolarHBondContact O-N 3Å
316M81.4Confident82.7Confident107 Ų10791.4 Ų91.453%0.52743%0.433SS..Hα-helixtrans-75-39.7177.5-81.5-173.5-5600109.4H313 A318 V319 R320H313-M316 HydrophobicContact CB-CB 4.28Å; H313-M316 HydrophobicContact CB-CE 3.34Å; H313-M316 VanDerWaalsContact CD2-CG 3.48Å; H313-M316 WeakPolarHBondContact CD2-CG 3.1Å; H313-M316 PolarHBondContact CD2-N 3.04Å; H313-M316 VanDerWaalsContact CD2-N 3.31Å; H313-M316 PolarHBondContact O-N 3.41Å; M316-A318 VanDerWaalsContact C-N 3.33Å; M316-A318 PolarHBondContact O-N 3.01Å; M316-V319 PolarHBondContact O-N 3.37Å; M316-V319 VanDerWaalsContact O-N 3.15Å; M316-R320 PolarHBondContact O-N 3.46Å
317E81.9Confident82.6Confident70 Ų7084.4 Ų84.433%0.32741%0.405SS..Hα-helixtrans-61.5-41.6174.6-163.5-168.7179.100111.9H313 V319 R320 L321H313-E317 PolarHBondContact O-N 3.3Å; E317-V319 VanDerWaalsContact C-N 3.3Å; E317-V319 PolarHBondContact O-N 3.15Å; E317-R320 WeakPolarHBondContact O-CB 3.05Å; E317-R320 PolarHBondContact O-N 3.46Å; E317-R320 IonicContact OE1-NH2 3.97Å; E317-R320 PolarHBondContact OE1-NH2 3.28Å; E317-L321 HydrophobicContact CG-CD1 4.48Å; E317-L321 WeakPolarHBondContact O-CG 3.43Å; E317-L321 PolarHBondContact O-N 2.89Å
318A85.1Confident82.8Confident53 Ų5386.5 Ų86.544%0.43841%0.406SS..Hα-helixtrans-63.4-34.1174.500000113.1R314 M316 R322R314-A318 WeakPolarHBondContact O-CB 3.36Å; R314-A318 PolarHBondContact O-N 2.96Å; M316-A318 VanDerWaalsContact C-N 3.33Å; M316-A318 PolarHBondContact O-N 3.01Å; A318-R322 WeakPolarHBondContact O-CB 3.47Å; A318-R322 PolarHBondContact O-N 2.96Å
319V84.2Confident83.3Confident71 Ų7188.4 Ų88.443%0.4342%0.422SS..Hα-helixtrans-69.5-41.5173.7171.60000110.6R315 M316 E317 R322 K323R315-V319 WeakPolarHBondContact O-CG2 3.4Å; R315-V319 PolarHBondContact O-N 3Å; M316-V319 PolarHBondContact O-N 3.37Å; M316-V319 VanDerWaalsContact O-N 3.15Å; E317-V319 VanDerWaalsContact C-N 3.3Å; E317-V319 PolarHBondContact O-N 3.15Å; V319-R322 WeakPolarHBondContact O-CB 3.27Å; V319-R322 PolarHBondContact O-N 2.99Å; V319-K323 WeakPolarHBondContact O-CG 3.44Å; V319-K323 PolarHBondContact O-N 3.05Å
320R85.7Confident84Confident51 Ų5185.4 Ų85.419%0.19240%0.403CS..Hα-helixtrans-57-56173.9175.2-16867.677.5-2110.7M316 E317 R322 K323 E324M316-R320 PolarHBondContact O-N 3.46Å; E317-R320 WeakPolarHBondContact O-CB 3.05Å; E317-R320 PolarHBondContact O-N 3.46Å; E317-R320 IonicContact OE1-NH2 3.97Å; E317-R320 PolarHBondContact OE1-NH2 3.28Å; R320-R322 PolarHBondContact O-N 3.38Å; R320-K323 WeakPolarHBondContact O-CB 3.35Å; R320-K323 PolarHBondContact O-N 2.84Å; R320-E324 WeakPolarHBondContact CD-OE1 3.18Å; R320-E324 HydrophobicContact CG-CG 4.41Å; R320-E324 WeakPolarHBondContact CG-OE1 3.39Å; R320-E324 IonicContact CZ-OE1 3.03Å; R320-E324 IonicContact CZ-OE2 3.77Å; R320-E324 IonicContact NE-OE1 2.84Å; R320-E324 IonicContact NH1-OE1 2.67Å; R320-E324 PolarHBondContact NH1-OE1 2.95Å; R320-E324 IonicContact NH1-OE2 3.92Å; R320-E324 PolarHBondContact NH1-OE2 3.18Å; R320-E324 WeakPolarHBondContact O-CG 3.33Å; R320-E324 PolarHBondContact O-N 3.2Å
321L85.2Confident84.6Confident69 Ų6985.2 Ų85.236%0.36139%0.392SS..Hα-helixtrans-57-37.3178.5-72.5171.5000111.9E317 N325E317-L321 HydrophobicContact CG-CD1 4.48Å; E317-L321 WeakPolarHBondContact O-CG 3.43Å; E317-L321 PolarHBondContact O-N 2.89Å; L321-N325 WeakPolarHBondContact O-CB 3.37Å; L321-N325 PolarHBondContact O-N 2.75Å; L321-N325 PolarHBondContact O-ND2 3.38Å; L321-N325 PolarHBondContact O-OD1 2.9Å
322R88.5Confident85.1Confident171 Ų17189.8 Ų89.865%0.64541%0.41SS*.Hα-helixtrans-63.6-45.9174.6-172.7-168.6-53.6-163.6-0.5112.3A318 V319 R320 Q326A318-R322 WeakPolarHBondContact O-CB 3.47Å; A318-R322 PolarHBondContact O-N 2.96Å; V319-R322 WeakPolarHBondContact O-CB 3.27Å; V319-R322 PolarHBondContact O-N 2.99Å; R320-R322 PolarHBondContact O-N 3.38Å; R322-Q326 WeakPolarHBondContact O-CB 3.5Å; R322-Q326 PolarHBondContact O-N 3.15Å
323K87.2Confident85.6Confident61 Ų6186.4 Ų86.427%0.26540%0.4SS..Hα-helixtrans-64.5-43.7178.6-73.8-172.9166.7-158.40111.5L267 E271 V319 R320 Q326 I327L267-K323 HydrophobicContact CD2-CB 4.04Å; L267-K323 HydrophobicContact CD2-CD 3.87Å; L267-K323 HydrophobicContact CD2-CG 3.77Å; E271-K323 IonicContact OE1-NZ 3.97Å; E271-K323 PolarHBondContact OE1-NZ 2.73Å; E271-K323 IonicContact OE2-NZ 2.75Å; V319-K323 WeakPolarHBondContact O-CG 3.44Å; V319-K323 PolarHBondContact O-N 3.05Å; R320-K323 WeakPolarHBondContact O-CB 3.35Å; R320-K323 PolarHBondContact O-N 2.84Å; K323-Q326 WeakPolarHBondContact O-CB 3.36Å; K323-Q326 PolarHBondContact O-N 3.22Å; K323-I327 WeakPolarHBondContact O-CD1 3.41Å; K323-I327 PolarHBondContact O-N 3.37Å
324E86Confident85.5Confident26 Ų2684.5 Ų84.512%0.12139%0.39CS..Hα-helixtrans-62.1-49.1175.6-68.9175.1-166.900110.9I285 R320 Q326 I327 Y328I285-E324 HydrophobicContact CD1-CG 3.88Å; R320-E324 WeakPolarHBondContact CD-OE1 3.18Å; R320-E324 HydrophobicContact CG-CG 4.41Å; R320-E324 WeakPolarHBondContact CG-OE1 3.39Å; R320-E324 IonicContact CZ-OE1 3.03Å; R320-E324 IonicContact CZ-OE2 3.77Å; R320-E324 IonicContact NE-OE1 2.84Å; R320-E324 IonicContact NH1-OE1 2.67Å; R320-E324 PolarHBondContact NH1-OE1 2.95Å; R320-E324 IonicContact NH1-OE2 3.92Å; R320-E324 PolarHBondContact NH1-OE2 3.18Å; R320-E324 WeakPolarHBondContact O-CG 3.33Å; R320-E324 PolarHBondContact O-N 3.2Å; E324-Q326 PolarHBondContact O-N 2.68Å; E324-I327 PolarHBondContact O-N 3.04Å; E324-Y328 HydrophobicContact CB-CD2 4.34Å; E324-Y328 HydrophobicContact CB-CE2 4.08Å; E324-Y328 VanDerWaalsContact O-CD2 3.27Å; E324-Y328 WeakPolarHBondContact O-CD2 3.45Å; E324-Y328 PolarHBondContact O-N 3.31Å
325N88.5Confident85.4Confident88 Ų8877 Ų7747%0.47137%0.374SS..Hα-helixtrans-61.2-30.1176.9-71.1-5.9000112.7L321 I327 S329L321-N325 WeakPolarHBondContact O-CB 3.37Å; L321-N325 PolarHBondContact O-N 2.75Å; L321-N325 PolarHBondContact O-ND2 3.38Å; L321-N325 PolarHBondContact O-OD1 2.9Å; N325-I327 VanDerWaalsContact C-N 3.29Å; N325-S329 WeakPolarHBondContact O-CB 3.36Å; N325-S329 PolarHBondContact O-N 3.03Å; N325-S329 PolarHBondContact O-OG 3.08Å
326Q87.4Confident85.4Confident40 Ų4071.6 Ų71.619%0.18736%0.36CS..Hα-helixtrans-65.5-36175.9179.9176.9-1.100111.3Y263 G264 R322 K323 E324 A330Y263-Q326 WeakPolarHBondContact O-CG 3.3Å; Y263-Q326 PolarHBondContact O-NE2 3.44Å; G264-Q326 PolarHBondContact O-NE2 2.93Å; R322-Q326 WeakPolarHBondContact O-CB 3.5Å; R322-Q326 PolarHBondContact O-N 3.15Å; K323-Q326 WeakPolarHBondContact O-CB 3.36Å; K323-Q326 PolarHBondContact O-N 3.22Å; E324-Q326 PolarHBondContact O-N 2.68Å; Q326-A330 WeakPolarHBondContact O-CB 3.09Å; Q326-A330 PolarHBondContact O-N 3.41Å
327I85.4Confident85.7Confident0 Ų071.6 Ų71.60%036%0.359CS..Hα-helixtrans-76.9-48.3176.1-59.7150.8000110.1Y263 L267 M275 A276 I279 I285 K323 E324 N325 S329 A330 D331Y263-I327 HydrophobicContact CD1-CG1 4.35Å; Y263-I327 HydrophobicContact CD1-CG2 4.27Å; Y263-I327 HydrophobicContact CE1-CG2 4.15Å; L267-I327 HydrophobicContact CD1-CD1 4.32Å; L267-I327 HydrophobicContact CD1-CG1 4.02Å; M275-I327 HydrophobicContact CB-CD1 3.29Å; M275-I327 HydrophobicContact CB-CG1 4.41Å; M275-I327 HydrophobicContact CG-CD1 3.93Å; M275-I327 HydrophobicContact SD-CD1 3.39Å; M275-I327 WeakPolarHBondContact SD-CD1 3.45Å; A276-I327 HydrophobicContact CB-CG2 3.99Å; I279-I327 HydrophobicContact CD1-CB 4.1Å; I279-I327 HydrophobicContact CD1-CG2 3.54Å; I285-I327 HydrophobicContact CD1-CD1 4.29Å; K323-I327 WeakPolarHBondContact O-CD1 3.41Å; K323-I327 PolarHBondContact O-N 3.37Å; E324-I327 PolarHBondContact O-N 3.04Å; N325-I327 VanDerWaalsContact C-N 3.29Å; I327-S329 VanDerWaalsContact C-N 3.26Å; I327-S329 PolarHBondContact O-N 3.45Å; I327-A330 WeakPolarHBondContact O-CB 3.15Å; I327-A330 PolarHBondContact O-N 2.98Å; I327-D331 WeakPolarHBondContact CG2-OD2 3.24Å; I327-D331 PolarHBondContact O-N 3.47Å
328Y83Confident85.9Confident116 Ų11674.7 Ų74.746%0.45537%0.373SS..Hα-helixtrans-56.4-41.5175.2-68.8-51.8000112.2I279 E324 A330 E332I279-Y328 HydrophobicContact CD1-CD1 4.21Å; I279-Y328 HydrophobicContact CD1-CE1 3.8Å; I279-Y328 HydrophobicContact CG1-CE1 4.1Å; I279-Y328 HydrophobicContact CG2-CD1 4.32Å; I279-Y328 HydrophobicContact CG2-CE1 3.8Å; E324-Y328 HydrophobicContact CB-CD2 4.34Å; E324-Y328 HydrophobicContact CB-CE2 4.08Å; E324-Y328 VanDerWaalsContact O-CD2 3.27Å; E324-Y328 WeakPolarHBondContact O-CD2 3.45Å; E324-Y328 PolarHBondContact O-N 3.31Å; Y328-A330 VanDerWaalsContact C-N 3.33Å; Y328-A330 PolarHBondContact O-N 2.83Å; Y328-E332 WeakPolarHBondContact O-CB 3.43Å; Y328-E332 PolarHBondContact O-N 3.3Å
329S87.1Confident86Confident69 Ų6978.1 Ų78.148%0.48338%0.378SS..Hα-helixtrans-66.5-36.1177-58.50000112N325 I327 K333N325-S329 WeakPolarHBondContact O-CB 3.36Å; N325-S329 PolarHBondContact O-N 3.03Å; N325-S329 PolarHBondContact O-OG 3.08Å; I327-S329 VanDerWaalsContact C-N 3.26Å; I327-S329 PolarHBondContact O-N 3.45Å; S329-K333 WeakPolarHBondContact O-CB 3.25Å; S329-K333 PolarHBondContact O-N 3.49Å
330A85.8Confident86.4Confident18 Ų1879.1 Ų79.115%0.14938%0.381CS..Hα-helixtrans-70.8-46.5177.700000111Y263 Q326 I327 Y328 K333 R334Y263-A330 HydrophobicContact CD1-CB 3.82Å; Y263-A330 HydrophobicContact CE1-CB 4.31Å; Q326-A330 WeakPolarHBondContact O-CB 3.09Å; Q326-A330 PolarHBondContact O-N 3.41Å; I327-A330 WeakPolarHBondContact O-CB 3.15Å; I327-A330 PolarHBondContact O-N 2.98Å; Y328-A330 VanDerWaalsContact C-N 3.33Å; Y328-A330 PolarHBondContact O-N 2.83Å; A330-K333 PolarHBondContact O-N 3.2Å; A330-R334 WeakPolarHBondContact O-CB 3.47Å; A330-R334 PolarHBondContact O-N 3.21Å
331D83.3Confident86.6Confident38 Ų3883.1 Ų83.120%0.20340%0.402CS..Hα-helixtrans-66.4-42.5178.7-71.5-19000111.6I327 R334 A335I327-D331 WeakPolarHBondContact CG2-OD2 3.24Å; I327-D331 PolarHBondContact O-N 3.47Å; D331-R334 PolarHBondContact O-N 2.83Å; D331-A335 WeakPolarHBondContact O-CB 3.42Å; D331-A335 PolarHBondContact O-N 3.35Å
332E85.8Confident86.9Confident124 Ų12482.1 Ų82.158%0.57940%0.403SS*.Hα-helixtrans-61.8-49.4174.3-179-177.9-168.800110.9Y328 R334 A335 L336Y328-E332 WeakPolarHBondContact O-CB 3.43Å; Y328-E332 PolarHBondContact O-N 3.3Å; E332-R334 PolarHBondContact O-N 3.24Å; E332-A335 PolarHBondContact O-N 2.68Å; E332-L336 HydrophobicContact CG-CD1 4.09Å; E332-L336 HydrophobicContact CG-CG 4.44Å; E332-L336 WeakPolarHBondContact O-CB 3.4Å; E332-L336 VanDerWaalsContact O-CG 3.29Å; E332-L336 WeakPolarHBondContact O-CG 3.35Å; E332-L336 PolarHBondContact O-N 3.42Å
333K86.7Confident87.1Confident129 Ų12977.7 Ų77.756%0.56139%0.39SS*.Hα-helixtrans-56.3-42.4176.9179-179.2172.2-170.20110.9S329 A330 L336 E337S329-K333 WeakPolarHBondContact O-CB 3.25Å; S329-K333 PolarHBondContact O-N 3.49Å; A330-K333 PolarHBondContact O-N 3.2Å; K333-L336 PolarHBondContact O-N 2.91Å; K333-E337 WeakPolarHBondContact CE-OE1 3.29Å; K333-E337 IonicContact NZ-OE1 2.66Å; K333-E337 WeakPolarHBondContact O-CB 3.48Å; K333-E337 VanDerWaalsContact O-CG 3.31Å; K333-E337 WeakPolarHBondContact O-CG 3.3Å; K333-E337 PolarHBondContact O-N 3.2Å
334R83.5Confident87.3Confident52 Ų5282.2 Ų82.220%0.19641%0.405CS..Hα-helixtrans-70-39.5-180-175.3-109.1-177.9106.628.8112.4S256 L261 A330 D331 E332 L336 E337 H338S256-R334 VanDerWaalsContact C-NH1 3.25Å; S256-R334 PolarHBondContact O-NH1 3.31Å; S256-R334 PolarHBondContact O-NH2 2.92Å; S256-R334 PolarHBondContact OG-NH1 2.9Å; L261-R334 HydrophobicContact CD1-CG 4.46Å; L261-R334 HydrophobicContact CD2-CB 4.2Å; L261-R334 HydrophobicContact CD2-CG 4.11Å; A330-R334 WeakPolarHBondContact O-CB 3.47Å; A330-R334 PolarHBondContact O-N 3.21Å; D331-R334 PolarHBondContact O-N 2.83Å; E332-R334 PolarHBondContact O-N 3.24Å; R334-L336 VanDerWaalsContact C-N 3.34Å; R334-E337 PolarHBondContact O-N 3.3Å; R334-H338 WeakPolarHBondContact O-CB 3.38Å; R334-H338 PolarHBondContact O-N 3.15Å
335A85.7Confident87.7Confident59 Ų5983.2 Ų83.249%0.48842%0.418SS..Hα-helixtrans-63.1-41.5172.700000111.5D331 E332 H338 F339D331-A335 WeakPolarHBondContact O-CB 3.42Å; D331-A335 PolarHBondContact O-N 3.35Å; E332-A335 PolarHBondContact O-N 2.68Å; A335-H338 PolarHBondContact O-N 3.14Å; A335-F339 WeakPolarHBondContact O-CB 3.34Å; A335-F339 PolarHBondContact O-N 3.02Å
336L86.7Confident88Confident91 Ų9186.9 Ų86.948%0.47643%0.429SS..Hα-helixtrans-65.9-43.2175.4-71.5173000112.3E332 K333 R334 F339 N340E332-L336 HydrophobicContact CG-CD1 4.09Å; E332-L336 HydrophobicContact CG-CG 4.44Å; E332-L336 WeakPolarHBondContact O-CB 3.4Å; E332-L336 VanDerWaalsContact O-CG 3.29Å; E332-L336 WeakPolarHBondContact O-CG 3.35Å; E332-L336 PolarHBondContact O-N 3.42Å; K333-L336 PolarHBondContact O-N 2.91Å; R334-L336 VanDerWaalsContact C-N 3.34Å; L336-F339 PolarHBondContact O-N 3.23Å; L336-N340 WeakPolarHBondContact O-CB 3.5Å; L336-N340 PolarHBondContact O-N 2.99Å; L336-N340 PolarHBondContact O-ND2 3.33Å
337E87.6Confident88.4Confident108 Ų10891.8 Ų91.851%0.50545%0.446SS..Hα-helixtrans-61.9-44.4175.5-77.4174.3-176.200111.5K333 R334 N340 H341K333-E337 WeakPolarHBondContact CE-OE1 3.29Å; K333-E337 IonicContact NZ-OE1 2.66Å; K333-E337 WeakPolarHBondContact O-CB 3.48Å; K333-E337 VanDerWaalsContact O-CG 3.31Å; K333-E337 WeakPolarHBondContact O-CG 3.3Å; K333-E337 PolarHBondContact O-N 3.2Å; R334-E337 PolarHBondContact O-N 3.3Å; E337-N340 PolarHBondContact O-N 3.12Å; E337-H341 VanDerWaalsContact O-CB 3.27Å; E337-H341 WeakPolarHBondContact O-CB 3.4Å; E337-H341 PolarHBondContact O-N 3.22Å
338H85.9Confident88.8Confident134 Ų13495.6 Ų95.662%0.6246%0.464SS*.Hα-helixtrans-61.4-44.1174.8-179.5-98.8000111.8R334 A335 H341 A342R334-H338 WeakPolarHBondContact O-CB 3.38Å; R334-H338 PolarHBondContact O-N 3.15Å; A335-H338 PolarHBondContact O-N 3.14Å; H338-H341 PolarHBondContact O-N 3.27Å; H338-A342 VanDerWaalsContact O-CB 3.32Å; H338-A342 WeakPolarHBondContact O-CB 3.38Å; H338-A342 PolarHBondContact O-N 3.37Å
339F87Confident89.4Confident126 Ų12692.7 Ų92.755%0.55346%0.464SS*.Hα-helixtrans-61.3-48.8176.3-178.7-94.6000111.9A335 L336 H341 A342 E343A335-F339 WeakPolarHBondContact O-CB 3.34Å; A335-F339 PolarHBondContact O-N 3.02Å; L336-F339 PolarHBondContact O-N 3.23Å; F339-H341 VanDerWaalsContact C-N 3.34Å; F339-H341 PolarHBondContact O-N 3.03Å; F339-A342 PolarHBondContact O-N 3.1Å; F339-E343 WeakPolarHBondContact O-CB 3.35Å; F339-E343 PolarHBondContact O-N 2.78Å
340N92.4Very high89.8Confident92 Ų9296 Ų9649%0.49247%0.469SS..Hα-helixtrans-62.4-40.7178.6-72.2-28000111.9L336 E337 R344L336-N340 WeakPolarHBondContact O-CB 3.5Å; L336-N340 PolarHBondContact O-N 2.99Å; L336-N340 PolarHBondContact O-ND2 3.33Å; E337-N340 PolarHBondContact O-N 3.12Å; N340-R344 WeakPolarHBondContact O-CB 3.31Å; N340-R344 PolarHBondContact O-N 2.97Å
341H91Very high90.2Very high135 Ų135100.5 Ų100.563%0.62549%0.491SS*.Hα-helixtrans-64.6-47.1176.5-176.2-95.7000111.2E337 H338 F339 E343 R344 A345E337-H341 VanDerWaalsContact O-CB 3.27Å; E337-H341 WeakPolarHBondContact O-CB 3.4Å; E337-H341 PolarHBondContact O-N 3.22Å; H338-H341 PolarHBondContact O-N 3.27Å; F339-H341 VanDerWaalsContact C-N 3.34Å; F339-H341 PolarHBondContact O-N 3.03Å; H341-E343 PolarHBondContact O-N 3.25Å; H341-R344 PolarHBondContact O-N 3.15Å; H341-A345 WeakPolarHBondContact O-CB 3.34Å; H341-A345 PolarHBondContact O-N 3.28Å
342A91.2Very high90.7Very high47 Ų47104 Ų10439%0.38851%0.506SS..Hα-helixtrans-62.9-42.417700000112.1H338 F339 A345 K346H338-A342 VanDerWaalsContact O-CB 3.32Å; H338-A342 WeakPolarHBondContact O-CB 3.38Å; H338-A342 PolarHBondContact O-N 3.37Å; F339-A342 PolarHBondContact O-N 3.1Å; A342-A345 PolarHBondContact O-N 2.86Å; A342-K346 WeakPolarHBondContact O-CB 3.31Å; A342-K346 PolarHBondContact O-N 2.98Å
343E92Very high91.2Very high78 Ų78101 Ų10136%0.36450%0.502SS..Hα-helixtrans-65.1-42.5177.1-162.9-160.2149.200111.4F339 H341 K346 R347F339-E343 WeakPolarHBondContact O-CB 3.35Å; F339-E343 PolarHBondContact O-N 2.78Å; H341-E343 PolarHBondContact O-N 3.25Å; E343-K346 PolarHBondContact O-N 3.49Å; E343-R347 WeakPolarHBondContact O-CB 3.12Å; E343-R347 PolarHBondContact O-N 2.95Å; E343-R347 IonicContact OE1-CZ 3.62Å; E343-R347 IonicContact OE1-NH1 3.44Å; E343-R347 IonicContact OE1-NH2 3.3Å; E343-R347 PolarHBondContact OE1-NH2 3.36Å
344R92.7Very high91.6Very high157 Ų157100.1 Ų100.159%0.59250%0.5SS*.Hα-helixtrans-62.1-47.7174.7-175.8178.4-178.8118.26.9111.3N340 H341 K346 R347 E348N340-R344 WeakPolarHBondContact O-CB 3.31Å; N340-R344 PolarHBondContact O-N 2.97Å; H341-R344 PolarHBondContact O-N 3.15Å; R344-K346 VanDerWaalsContact C-N 3.32Å; R344-K346 PolarHBondContact O-N 3.45Å; R344-R347 WeakPolarHBondContact O-CB 3Å; R344-R347 PolarHBondContact O-N 3.42Å; R344-R347 VanDerWaalsContact O-N 3.15Å; R344-E348 HydrophobicContact CG-CG 4.32Å; R344-E348 WeakPolarHBondContact CG-OE1 3.17Å; R344-E348 IonicContact CZ-OE1 3.11Å; R344-E348 IonicContact NE-OE1 2.67Å; R344-E348 PolarHBondContact NE-OE1 2.88Å; R344-E348 IonicContact NH2-OE1 3.72Å; R344-E348 PolarHBondContact NH2-OE1 3.39Å; R344-E348 WeakPolarHBondContact O-CB 3.32Å; R344-E348 WeakPolarHBondContact O-CG 3.48Å; R344-E348 PolarHBondContact O-N 3.34Å
345A93.7Very high92.2Very high46 Ų46104 Ų10438%0.3852%0.518SS..Hα-helixtrans-59.3-42.2177.100000111.6H341 A342 E348 A349H341-A345 WeakPolarHBondContact O-CB 3.34Å; H341-A345 PolarHBondContact O-N 3.28Å; A342-A345 PolarHBondContact O-N 2.86Å; A345-E348 PolarHBondContact O-N 2.88Å; A345-A349 VanDerWaalsContact O-CB 3.27Å; A345-A349 WeakPolarHBondContact O-CB 3.44Å; A345-A349 PolarHBondContact O-N 3.48Å
346K94.5Very high92.7Very high166 Ų166108.1 Ų108.172%0.72253%0.525SS*.Hα-helixtrans-63.4-42.1174.9-173.6176.8-178.2176.60112.2A342 E343 R344 K350A342-K346 WeakPolarHBondContact O-CB 3.31Å; A342-K346 PolarHBondContact O-N 2.98Å; E343-K346 PolarHBondContact O-N 3.49Å; R344-K346 VanDerWaalsContact C-N 3.32Å; R344-K346 PolarHBondContact O-N 3.45Å; K346-K350 PolarHBondContact O-N 2.88Å
347R94.8Very high93.1Very high143 Ų143106.7 Ų106.754%0.5453%0.526SS..Hα-helixtrans-64.8-44.9176.7-173.4-173.5-71.8102-2.4111.3E343 R344 K350 L351E343-R347 WeakPolarHBondContact O-CB 3.12Å; E343-R347 PolarHBondContact O-N 2.95Å; E343-R347 IonicContact OE1-CZ 3.62Å; E343-R347 IonicContact OE1-NH1 3.44Å; E343-R347 IonicContact OE1-NH2 3.3Å; E343-R347 PolarHBondContact OE1-NH2 3.36Å; R344-R347 WeakPolarHBondContact O-CB 3Å; R344-R347 PolarHBondContact O-N 3.42Å; R344-R347 VanDerWaalsContact O-N 3.15Å; R347-K350 PolarHBondContact O-N 2.87Å; R347-L351 PolarHBondContact O-N 3.43Å
348E94.7Very high93.4Very high80 Ų80106.5 Ų106.537%0.37453%0.528SS..Hα-helixtrans-65.2-43.2177.3-72.6179.1-174.300111.5R344 A345 K350 L351 Q352R344-E348 HydrophobicContact CG-CG 4.32Å; R344-E348 WeakPolarHBondContact CG-OE1 3.17Å; R344-E348 IonicContact CZ-OE1 3.11Å; R344-E348 IonicContact NE-OE1 2.67Å; R344-E348 PolarHBondContact NE-OE1 2.88Å; R344-E348 IonicContact NH2-OE1 3.72Å; R344-E348 PolarHBondContact NH2-OE1 3.39Å; R344-E348 WeakPolarHBondContact O-CB 3.32Å; R344-E348 WeakPolarHBondContact O-CG 3.48Å; R344-E348 PolarHBondContact O-N 3.34Å; A345-E348 PolarHBondContact O-N 2.88Å; E348-K350 VanDerWaalsContact C-N 3.33Å; E348-K350 PolarHBondContact O-N 3.4Å; E348-L351 PolarHBondContact O-N 3.49Å; E348-Q352 WeakPolarHBondContact O-CB 3.43Å; E348-Q352 VanDerWaalsContact O-CG 3.29Å; E348-Q352 WeakPolarHBondContact O-CG 3.5Å; E348-Q352 PolarHBondContact O-N 3.21Å
349A94.5Very high93.8Very high54 Ų54104.1 Ų104.145%0.44652%0.519SS..Hα-helixtrans-60.2-41.5175.100000112.1A345 Q352 A353A345-A349 VanDerWaalsContact O-CB 3.27Å; A345-A349 WeakPolarHBondContact O-CB 3.44Å; A345-A349 PolarHBondContact O-N 3.48Å; A349-Q352 PolarHBondContact O-N 3.04Å; A349-A353 WeakPolarHBondContact O-CB 3.22Å; A349-A353 PolarHBondContact O-N 3.19Å
350K95.8Very high94.1Very high139 Ų139104.4 Ų104.460%0.60452%0.52SS*.Hα-helixtrans-62.6-44.8174-174.6178.6179.5179.90111.7K346 R347 E348 A353 Q354K346-K350 PolarHBondContact O-N 2.88Å; R347-K350 PolarHBondContact O-N 2.87Å; E348-K350 VanDerWaalsContact C-N 3.33Å; E348-K350 PolarHBondContact O-N 3.4Å; K350-A353 PolarHBondContact O-N 3.14Å; K350-Q354 WeakPolarHBondContact O-CG 3.4Å; K350-Q354 PolarHBondContact O-N 3.35Å
351L94.5Very high94.1Very high113 Ų113108 Ų10859%0.59253%0.527SS*.Hα-helixtrans-64.9-41178.2-173.665000111.6R347 E348 Q354 F355R347-L351 PolarHBondContact O-N 3.43Å; E348-L351 PolarHBondContact O-N 3.49Å; L351-Q354 PolarHBondContact O-N 2.82Å; L351-F355 WeakPolarHBondContact O-CB 3.43Å; L351-F355 PolarHBondContact O-N 3.44Å
352Q95.1Very high94.1Very high111 Ų111107.5 Ų107.552%0.51952%0.523SS..Hα-helixtrans-62.6-42.3174.5-73.8179.69.300111.7E348 A349 F355 K356E348-Q352 WeakPolarHBondContact O-CB 3.43Å; E348-Q352 VanDerWaalsContact O-CG 3.29Å; E348-Q352 WeakPolarHBondContact O-CG 3.5Å; E348-Q352 PolarHBondContact O-N 3.21Å; A349-Q352 PolarHBondContact O-N 3.04Å; Q352-F355 PolarHBondContact O-N 2.92Å; Q352-K356 WeakPolarHBondContact O-CB 3.45Å; Q352-K356 VanDerWaalsContact O-CG 3.26Å; Q352-K356 WeakPolarHBondContact O-CG 3.27Å; Q352-K356 PolarHBondContact O-N 2.88Å
353A95.5Very high94Very high60 Ų60110 Ų11050%0.49653%0.529SS..Hα-helixtrans-62.7-43.9175.900000111.7A349 K350 K356 A357A349-A353 WeakPolarHBondContact O-CB 3.22Å; A349-A353 PolarHBondContact O-N 3.19Å; K350-A353 PolarHBondContact O-N 3.14Å; A353-K356 PolarHBondContact O-N 3.41Å; A353-A357 WeakPolarHBondContact O-CB 3.27Å; A353-A357 PolarHBondContact O-N 2.93Å
354Q95.3Very high93.9Very high111 Ų111110.7 Ų110.752%0.51953%0.532SS..Hα-helixtrans-63-43.1175.3-72.3177.1-27.800112.2K350 L351 A357 L358K350-Q354 WeakPolarHBondContact O-CG 3.4Å; K350-Q354 PolarHBondContact O-N 3.35Å; L351-Q354 PolarHBondContact O-N 2.82Å; Q354-A357 PolarHBondContact O-N 2.94Å; Q354-L358 WeakPolarHBondContact O-CB 3.49Å; Q354-L358 PolarHBondContact O-N 3.5Å
355F96.5Very high93.7Very high135 Ų135106.9 Ų106.959%0.59252%0.524SS*.Hα-helixtrans-64.7-44.1177.5-175.5-109.5000112L351 Q352 A357 L358 I359L351-F355 WeakPolarHBondContact O-CB 3.43Å; L351-F355 PolarHBondContact O-N 3.44Å; Q352-F355 PolarHBondContact O-N 2.92Å; F355-A357 VanDerWaalsContact C-N 3.33Å; F355-A357 PolarHBondContact O-N 3.39Å; F355-L358 PolarHBondContact O-N 2.89Å; F355-I359 HydrophobicContact CD1-CD1 3.65Å; F355-I359 HydrophobicContact CD1-CG1 4.49Å; F355-I359 HydrophobicContact CE1-CD1 3.19Å; F355-I359 HydrophobicContact CE1-CG1 4.22Å; F355-I359 HydrophobicContact CE2-CD1 4.23Å; F355-I359 HydrophobicContact CG-CD1 4.36Å; F355-I359 HydrophobicContact CZ-CD1 3.52Å; F355-I359 HydrophobicContact CZ-CG1 4.22Å; F355-I359 WeakPolarHBondContact O-CG1 3.36Å; F355-I359 PolarHBondContact O-N 2.82Å
356K95.7Very high93.2Very high145 Ų145112.6 Ų112.663%0.6354%0.54SS*.Hα-helixtrans-58.5-43.9173.5-75.7175.8-179.9179.70111.5Q352 A353 I359 K360Q352-K356 WeakPolarHBondContact O-CB 3.45Å; Q352-K356 VanDerWaalsContact O-CG 3.26Å; Q352-K356 WeakPolarHBondContact O-CG 3.27Å; Q352-K356 PolarHBondContact O-N 2.88Å; A353-K356 PolarHBondContact O-N 3.41Å; K356-I359 PolarHBondContact O-N 3.08Å; K356-K360 WeakPolarHBondContact O-CB 3.47Å; K356-K360 PolarHBondContact O-N 3.42Å
357A93.9Very high92.5Very high60 Ų60111.9 Ų111.950%0.49654%0.539SS..Hα-helixtrans-63.5-40.5176.800000112.5A353 Q354 F355 K360 R361A353-A357 WeakPolarHBondContact O-CB 3.27Å; A353-A357 PolarHBondContact O-N 2.93Å; Q354-A357 PolarHBondContact O-N 2.94Å; F355-A357 VanDerWaalsContact C-N 3.33Å; F355-A357 PolarHBondContact O-N 3.39Å; A357-K360 PolarHBondContact O-N 2.9Å; A357-R361 WeakPolarHBondContact O-CB 3.46Å; A357-R361 PolarHBondContact O-N 3.28Å
358L94.3Very high91.6Very high105 Ų105109 Ų10955%0.5555%0.546SS..Hα-helixtrans-68.3-41.4178.7-161.5154.1000112Q354 F355 R361 K362Q354-L358 WeakPolarHBondContact O-CB 3.49Å; Q354-L358 PolarHBondContact O-N 3.5Å; F355-L358 PolarHBondContact O-N 2.89Å; L358-R361 PolarHBondContact O-N 3.47Å; L358-K362 HydrophobicContact CD2-CG 4.05Å; L358-K362 WeakPolarHBondContact O-CG 3.39Å; L358-K362 PolarHBondContact O-N 2.79Å
359I94.1Very high90.4Very high84 Ų84108 Ų10843%0.43155%0.552SS.*Hα-helixtrans-61.3-47.1172.9-71173.5000110.6F355 K356 R361 K362 L363F355-I359 HydrophobicContact CD1-CD1 3.65Å; F355-I359 HydrophobicContact CD1-CG1 4.49Å; F355-I359 HydrophobicContact CE1-CD1 3.19Å; F355-I359 HydrophobicContact CE1-CG1 4.22Å; F355-I359 HydrophobicContact CE2-CD1 4.23Å; F355-I359 HydrophobicContact CG-CD1 4.36Å; F355-I359 HydrophobicContact CZ-CD1 3.52Å; F355-I359 HydrophobicContact CZ-CG1 4.22Å; F355-I359 WeakPolarHBondContact O-CG1 3.36Å; F355-I359 PolarHBondContact O-N 2.82Å; K356-I359 PolarHBondContact O-N 3.08Å; I359-R361 VanDerWaalsContact C-N 3.33Å; I359-R361 PolarHBondContact O-N 3.22Å; I359-K362 PolarHBondContact O-N 3.17Å; I359-K362 VanDerWaalsContact O-N 3.16Å; I359-L363 WeakPolarHBondContact O-CB 3.33Å; I359-L363 PolarHBondContact O-N 2.95Å
360K94.2Very high89.3Confident131 Ų131110.8 Ų110.857%0.5757%0.565SS**Hα-helixtrans-57.6-48.2179.7-165-168-178.3-148.40110.7K356 A357 K362 L363 E364K356-K360 WeakPolarHBondContact O-CB 3.47Å; K356-K360 PolarHBondContact O-N 3.42Å; A357-K360 PolarHBondContact O-N 2.9Å; K360-K362 PolarHBondContact O-N 2.95Å; K360-L363 PolarHBondContact O-N 3.48Å; K360-E364 WeakPolarHBondContact CE-OE1 3.24Å; K360-E364 WeakPolarHBondContact CG-OE1 3.33Å; K360-E364 IonicContact NZ-OE1 3.79Å; K360-E364 PolarHBondContact NZ-OE1 2.95Å; K360-E364 VanDerWaalsContact O-CG 3.31Å; K360-E364 WeakPolarHBondContact O-CG 3.4Å; K360-E364 PolarHBondContact O-N 3.11Å
361R92.2Very high88.3Confident168 Ų168109.4 Ų109.463%0.63457%0.57SS**Hα-helixtrans-58.5-44.4174.9-177.5179.4170.8170.91.2112.4A357 L358 I359 L363 E364 D365A357-R361 WeakPolarHBondContact O-CB 3.46Å; A357-R361 PolarHBondContact O-N 3.28Å; L358-R361 PolarHBondContact O-N 3.47Å; I359-R361 VanDerWaalsContact C-N 3.33Å; I359-R361 PolarHBondContact O-N 3.22Å; R361-L363 VanDerWaalsContact C-N 3.31Å; R361-L363 PolarHBondContact O-N 3.28Å; R361-E364 PolarHBondContact O-N 3.49Å; R361-D365 WeakPolarHBondContact O-CB 3.36Å; R361-D365 PolarHBondContact O-N 3.2Å
362K91.2Very high87.3Confident125 Ų125110.1 Ų110.154%0.54358%0.582SS.*Hα-helixtrans-67.1-30.1178.1-75.1-66.6-174.6-173.40113.5L358 I359 K360 K366L358-K362 HydrophobicContact CD2-CG 4.05Å; L358-K362 WeakPolarHBondContact O-CG 3.39Å; L358-K362 PolarHBondContact O-N 2.79Å; I359-K362 PolarHBondContact O-N 3.17Å; I359-K362 VanDerWaalsContact O-N 3.16Å; K360-K362 PolarHBondContact O-N 2.95Å; K362-K366 WeakPolarHBondContact O-CG 3.49Å; K362-K366 PolarHBondContact O-N 2.91Å
363L89.8Confident85.6Confident98 Ų98114.1 Ų114.151%0.51362%0.622SS.*Hα-helixtrans-73.3-42.8174.3-173.665.4000110.6I359 K360 R361 K366 Q367I359-L363 WeakPolarHBondContact O-CB 3.33Å; I359-L363 PolarHBondContact O-N 2.95Å; K360-L363 PolarHBondContact O-N 3.48Å; R361-L363 VanDerWaalsContact C-N 3.31Å; R361-L363 PolarHBondContact O-N 3.28Å; L363-K366 PolarHBondContact O-N 3.05Å; L363-Q367 WeakPolarHBondContact O-CG 3.49Å; L363-Q367 PolarHBondContact O-N 3.1Å
364E89.8Confident85.1Confident93 Ų93116.9 Ų116.944%0.43563%0.628SS.*Hα-helixtrans-60.5-46.9173.3-69.9166178.500111K360 R361 K366 Q367 A368K360-E364 WeakPolarHBondContact CE-OE1 3.24Å; K360-E364 WeakPolarHBondContact CG-OE1 3.33Å; K360-E364 IonicContact NZ-OE1 3.79Å; K360-E364 PolarHBondContact NZ-OE1 2.95Å; K360-E364 VanDerWaalsContact O-CG 3.31Å; K360-E364 WeakPolarHBondContact O-CG 3.4Å; K360-E364 PolarHBondContact O-N 3.11Å; R361-E364 PolarHBondContact O-N 3.49Å; E364-K366 VanDerWaalsContact C-N 3.29Å; E364-K366 PolarHBondContact O-N 3.17Å; E364-Q367 PolarHBondContact O-N 3.48Å; E364-A368 WeakPolarHBondContact O-CB 3.19Å; E364-A368 PolarHBondContact O-N 3.32Å
365D87.2Confident84.6Confident77 Ų77117.2 Ų117.241%0.41263%0.634SS.*Hα-helixtrans-59.3-36.9176.6-69-20.4000112.2R361 A369R361-D365 WeakPolarHBondContact O-CB 3.36Å; R361-D365 PolarHBondContact O-N 3.2Å; D365-A369 PolarHBondContact O-N 3.03Å
366K83.6Confident83.9Confident166 Ų166116.2 Ų116.272%0.72264%0.637SS**Hα-helixtrans-75.1-32.3177.7-78.4-177.9178.4-170.70113.2K362 L363 E364K362-K366 WeakPolarHBondContact O-CG 3.49Å; K362-K366 PolarHBondContact O-N 2.91Å; L363-K366 PolarHBondContact O-N 3.05Å; E364-K366 VanDerWaalsContact C-N 3.29Å; E364-K366 PolarHBondContact O-N 3.17Å
367Q79.4Confident83.2Confident151 Ų151114.5 Ų114.571%0.70664%0.637SS**Hα-helixtrans-77.7-29.1176.1-70.8-179.114.500112L363 E364L363-Q367 WeakPolarHBondContact O-CG 3.49Å; L363-Q367 PolarHBondContact O-N 3.1Å; E364-Q367 PolarHBondContact O-N 3.48Å
368A77.2Confident82.5Confident84 Ų84117.9 Ų117.969%0.69465%0.646SS**Hα-helixtrans-81-14.5175.400000113.6E364E364-A368 WeakPolarHBondContact O-CB 3.19Å; E364-A368 PolarHBondContact O-N 3.32Å
369A69.5Low81.8Confident58 Ų58118.7 Ų118.748%0.47965%0.652SS.*SBendtrans-73.3121.9174.500000109.8D365D365-A369 PolarHBondContact O-N 3.03Å
370P71.2Confident80.9Confident113 Ų113121.2 Ų121.273%0.73467%0.668SS**PPolyproline II helixtrans-61.5146.9175.326.5-33.1000110
371P73.3Confident79.8Confident109 Ų109120.5 Ų120.571%0.70868%0.675SS**PPolyproline II helixtrans-58.2145.9177.926.1-33.9000110S373P371-S373 PolarHBondContact O-N 3.41Å
372P73.8Confident78.8Confident129 Ų129116.5 Ų116.584%0.83868%0.679SS**PPolyproline II helixtrans-57.9130.4174.726.6-33.2000109
373S59.7Low77.7Confident195 Ų195115.7 Ų115.7100%1.36469%0.691SS**  trans-65.70-178.8-52.50000113.1P371P371-S373 PolarHBondContact O-N 3.41Å

Retrieved 373 of 373 residues in 193.6 ms (Link to these results)