A0A087YHP8_POEFO Loading...

Apoptosis, caspase activation inhibitor

AlphaFold DB (A0A3B3TWB1), UniProt , Accession A0A087YHP8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 316 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.5Very low41.6Very low215 Ų215156.5 Ų156.5100%1.05986%0.861SS**  088.10-61.3171.3-176.300107.6
2E42Very low41.2Very low186 Ų186150.2 Ų150.287%0.86986%0.858SS**  cis57.3131.937.3-47.1154.8104.400111.4
3G39.4Very low41Very low71 Ų71157.8 Ų157.873%0.73287%0.865SS**  cis-159.9-174.7-5.200000108
4R46.4Very low41.7Very low243 Ų243164.5 Ų164.592%0.91787%0.871SS**  cis-153.2158.723.1-65.6171.7166-169.7-4.8109.7
5A42.9Very low41.9Very low92 Ų92170.4 Ų170.476%0.7688%0.877SS**  trans-83.7141.5160.800000111.1
6M46.9Very low41.7Very low187 Ų187164.8 Ų164.892%0.92187%0.873SS**  trans-93146.3164-84.3-62.9-167.700110.8
7R47.4Very low41.6Very low244 Ų244159.9 Ų159.992%0.92187%0.872SS**  trans-121.8129.1-179.4-59.8-175.7-172.1-144.84.8111.7
8G41.5Very low41.7Very low69 Ų69165.4 Ų165.471%0.71188%0.878SS**  trans-139.7120148.800000106.5
9R41.2Very low41.4Very low259 Ų259160.6 Ų160.698%0.97787%0.872SS**  42.5109.172.7-69.3-168.9-176.8-1077.3111.1
10G35.3Very low41.1Very low86 Ų86156.2 Ų156.289%0.88787%0.865SS**  cis133.5120.6-500000111.9
11G38.5Very low40.9Very low69 Ų69157.3 Ų157.371%0.71186%0.864SS**  trans-144.182.1-178.100000111.1
12G36.5Very low41.2Very low81 Ų81155 Ų15584%0.83586%0.856SS**  trans-86.6119.8-173.500000113.3
13W38.6Very low41.1Very low250 Ų250150.6 Ų150.695%0.94785%0.851SS**  trans-105.295.9169.3-6776.2000109.5
14R50.1Low41.2Very low251 Ų251155.4 Ų155.495%0.94786%0.86SS**  trans-129.899.5172-81.4-166.3178.9-854.1111.3
15R45.2Very low40.6Very low253 Ų253147.2 Ų147.296%0.95585%0.851SS**  trans-162.1125161.1-176.7-172.1-66.5-116.44.3106.9
16G38.3Very low40.3Very low80 Ų80152 Ų15283%0.82586%0.857SS**  cis167.8131.9-8.800000110.1
17G40Very low40Very low83 Ų83150 Ų15086%0.85685%0.851SS**  trans177.3130.8179.600000111.4
18R43.7Very low39.8Very low259 Ų259144 Ų14498%0.97785%0.846SS**  trans-131.2149.6173.4-89.3-173.5167.9-144.9-0.1107.9
19G35.7Very low40Very low74 Ų74147.6 Ų147.676%0.76384%0.844SS**  trans129.196.1134.200000117.9
20G35.5Very low40.1Very low71 Ų71143.2 Ų143.273%0.73283%0.834SS**  trans79.8162.8153.200000116.7
21H37.4Very low40.6Very low181 Ų181150.7 Ų150.784%0.83884%0.836SS**  cis-137.9144.6-3.6-84.482.9000110.3
22D43Very low41Very low167 Ų167151.3 Ų151.389%0.89384%0.842SS**  trans-71.2132.3157-47.1-87000108.9
23A39Very low41.6Very low92 Ų92157.3 Ų157.376%0.7684%0.84SS**  trans-160114.1170.900000110.7
24D41.6Very low42.1Very low172 Ų172149.5 Ų149.592%0.9284%0.837SS**  trans-64.8136.6168-58.8-85.3000110.9
25G34.9Very low42.2Very low72 Ų72147.8 Ų147.874%0.74283%0.83SS**  trans-163.9109.2178.400000112
26H36.8Very low42.2Very low191 Ų191138.3 Ų138.388%0.88481%0.811SS**  trans-76.8149.9176.4-67.9-1.5000112.4
27N40.2Very low42.6Very low146 Ų146137.5 Ų137.578%0.78180%0.803SS**  trans61.799146.1-166.812.6000118.3
28S43.6Very low42.9Very low118 Ų118141.1 Ų141.183%0.82580%0.797SS**  trans-150.5104.1150.6710000112.2
29E45.3Very low43Very low145 Ų145138 Ų13868%0.67879%0.793SS**  trans-61.2162.2171.9-148.467.8-158.300112.4
30H42.1Very low43.8Very low166 Ų166145.5 Ų145.577%0.76980%0.799SS**  trans55.9106.9162.5-53.4-39.4000119.3
31R45.9Very low44.3Very low244 Ų244145.9 Ų145.992%0.92180%0.803SS**  trans-156.989.3132.7-111.9161.3-163.3-1766.3111.9
32G47.1Very low44.9Very low82 Ų82149.3 Ų149.385%0.84581%0.808SS**  trans-57.4140174.700000112.2
33R50.5Low45Very low207 Ų207145 Ų14578%0.78180%0.803SS**  trans-130.175.3172.9-79.2-168.5164.7-167.5-2.6110.9R35R33-R35 PolarHBondContact O-N 2.74Å
34G48.3Very low45.6Very low85 Ų85151.1 Ų151.188%0.87681%0.807SS**  trans-52.8113.8164.600000110.6
35R52.9Low46Very low215 Ų215154.1 Ų154.181%0.81181%0.805SS**  trans-142.2104.3169.1-70.5-177.3170.9-163.1-4.3105.2R33R33-R35 PolarHBondContact O-N 2.74Å
36G43.8Very low46.6Very low54 Ų54155.8 Ų155.856%0.55780%0.797SS**  cis138.886.116.700000105.4Q38G36-Q38 PolarHBondContact O-N 2.79Å; G36-Q38 PolarHBondContact O-NE2 2.88Å; G36-Q38 VanDerWaalsContact O-NE2 3.13Å
37G47.1Very low47Very low63 Ų63155.7 Ų155.765%0.64980%0.796SS**  trans-58.2120.1-156.900000114.1H39G37-H39 PolarHBondContact O-N 2.66Å; G37-H39 VanDerWaalsContact O-N 3.09Å
38Q46.7Very low47.6Very low159 Ų159159.2 Ų159.274%0.74380%0.799SS**  trans-81.684.5172.7-61.884.515.100110.5G36 R40G36-Q38 PolarHBondContact O-N 2.79Å; G36-Q38 PolarHBondContact O-NE2 2.88Å; G36-Q38 VanDerWaalsContact O-NE2 3.13Å; Q38-R40 PolarHBondContact O-N 2.98Å
39H45.6Very low47.7Very low193 Ų193157.1 Ų157.189%0.89480%0.796SS**  trans-57.799.9165.8-62.9-78.1000110.2G37G37-H39 PolarHBondContact O-N 2.66Å; G37-H39 VanDerWaalsContact O-N 3.09Å
40R52.9Low48Very low232 Ų232162.6 Ų162.688%0.87581%0.81SS**  trans-118.6137.7170.8-71-172.1174.1-159.30.6109Q38Q38-R40 PolarHBondContact O-N 2.98Å
41G45.2Very low47.9Very low79 Ų79158.3 Ų158.381%0.81481%0.811SS**  trans101.672.317700000114.5G43G41-G43 PolarHBondContact O-N 2.89Å
42R50.6Low48.2Very low253 Ų253158.8 Ų158.896%0.95581%0.813SS**  trans-71.581.2162.9-81.1-175.4170.6-178.5-2.2110R44R42-R44 VanDerWaalsContact C-N 3.25Å; R42-R44 PolarHBondContact O-N 3.19Å
43G44.2Very low47.8Very low76 Ų76158.5 Ų158.578%0.78481%0.81SS**  trans-68.976.4170.400000112.1G41 R45G41-G43 PolarHBondContact O-N 2.89Å; G43-R45 VanDerWaalsContact C-N 3.34Å; G43-R45 PolarHBondContact O-N 2.87Å
44R51.7Low47.3Very low222 Ų222152.5 Ų152.584%0.83881%0.812SS**  trans-67.690168.2-88.4-82.3-165.8-117.93.8109.1R42R42-R44 VanDerWaalsContact C-N 3.25Å; R42-R44 PolarHBondContact O-N 3.19Å
45R51.2Low46.7Very low235 Ų235152 Ų15289%0.88781%0.808SS**  trans-90.1135.4160.2-154.1171.5-167.8172.23.4108.3G43 H47G43-R45 VanDerWaalsContact C-N 3.34Å; G43-R45 PolarHBondContact O-N 2.87Å; R45-H47 PolarHBondContact O-N 2.68Å
46D46.3Very low46.2Very low107 Ų107152 Ų15257%0.57281%0.809SS**  trans-67.1129.3-165.1-63.9-25.6000113.6R48D46-R48 HydrophobicContact CB-CG 3.67Å; D46-R48 PolarHBondContact O-N 2.76Å; D46-R48 IonicContact OD2-CZ 3.73Å; D46-R48 IonicContact OD2-NE 3.07Å; D46-R48 PolarHBondContact OD2-NE 3.28Å; D46-R48 IonicContact OD2-NH2 3.27Å; D46-R48 PolarHBondContact OD2-NH2 3.19Å
47H46.4Very low46.2Very low188 Ų188158.7 Ų158.787%0.8783%0.826SS**  trans-76.967.1161.1-65.3-65.9000110.9R45 G49R45-H47 PolarHBondContact O-N 2.68Å; H47-G49 VanDerWaalsContact C-N 3.32Å; H47-G49 PolarHBondContact O-N 3.12Å
48R53.3Low45.6Very low221 Ų221160.3 Ų160.383%0.83483%0.833SS**  trans-75.283.2170.7-60.6-169.1-170.9-158.71.8109.8D46D46-R48 HydrophobicContact CB-CG 3.67Å; D46-R48 PolarHBondContact O-N 2.76Å; D46-R48 IonicContact OD2-CZ 3.73Å; D46-R48 IonicContact OD2-NE 3.07Å; D46-R48 PolarHBondContact OD2-NE 3.28Å; D46-R48 IonicContact OD2-NH2 3.27Å; D46-R48 PolarHBondContact OD2-NH2 3.19Å
49G45Very low45Very low74 Ų74157.4 Ų157.476%0.76384%0.836SS**  trans173.927.6-177.800000118.5H47H47-G49 VanDerWaalsContact C-N 3.32Å; H47-G49 PolarHBondContact O-N 3.12Å
50R51Low44.7Very low260 Ų260152.6 Ų152.698%0.98183%0.83SS**  trans-122.3108169.7-99.2-167.3178.7-124.41.2112.7
51G41.3Very low43.9Very low76 Ų76148.9 Ų148.978%0.78483%0.828SS**  trans161.1128.4172.400000108
52R50.6Low43.9Very low253 Ų253151.7 Ų151.796%0.95583%0.828SS**  cis-113.8157.44.5-61.6167.9-175.2-127.50.4108.1
53G39Very low43.7Very low76 Ų76145.1 Ų145.178%0.78482%0.819SS**  cis104.278.328.900000107.9
54G40.2Very low43.7Very low81 Ų81148.6 Ų148.684%0.83581%0.814SS**  trans-71149.9-178.600000112.2
55G36.8Very low43Very low76 Ų76147.1 Ų147.178%0.78482%0.817SS**  trans-168.565.8-173.300000111.7
56Y41Very low42.4Very low213 Ų213142.9 Ų142.984%0.83581%0.807SS**  trans-69.3163.4164.8-60.7-90.6000109.7
57H43.5Very low41.9Very low195 Ų195146.3 Ų146.390%0.90382%0.82SS**  trans82.673.1179.3-45.3-72.4000118
58A36.3Very low41.4Very low98 Ų98144.5 Ų144.581%0.8182%0.816SS**  trans-153.3103.7141.100000106.5
59A34Very low41.1Very low97 Ų97143 Ų14380%0.80282%0.819SS**  cis107110.649.300000110.1
60A39.2Very low40.8Very low93 Ų93143.2 Ų143.277%0.76982%0.821SS**  trans56.3130.1170.500000116.8
61D36Very low40.5Very low154 Ų154140.3 Ų140.382%0.82482%0.819SS**  -159.8151.856.5-89.9-40.2000112.8
62V43.7Very low40.4Very low137 Ų137141.3 Ų141.383%0.8381%0.806SS**  trans-148120.9166.5173.90000108.9
63P46.3Very low40.4Very low116 Ų116134.7 Ų134.775%0.75380%0.796SS**  -138.3127115.923.8-4.9000111.9
64Q44.2Very low40.9Very low148 Ų148139 Ų13969%0.69280%0.796SS**  71.3106.977.4-171.5179.2-1.700114.6H66Q64-H66 PolarHBondContact NE2-NE2 2.84Å
65Q37.3Very low41.5Very low192 Ų192140.3 Ų140.390%0.89778%0.784SS**  trans-138.6155.8153.3-70-164.60.300109.4
66H38.2Very low42.2Very low146 Ų146142.8 Ų142.868%0.67678%0.775SS**  trans-97.9173.1-174.9-76-114.9000112.7Q64Q64-H66 PolarHBondContact NE2-NE2 2.84Å
67Q35.8Very low42.7Very low179 Ų179140.9 Ų140.984%0.83678%0.779SS**  trans105.3133.9176.3-65151.6111.800113
68D36.7Very low43.2Very low149 Ų149138.6 Ų138.680%0.79777%0.774SS**  cis-152.1-176.8-11-147.7-8.9000111.2
69E46.2Very low44.1Very low190 Ų190141.8 Ų141.889%0.88876%0.764SS**  trans-60.9154.4-177.4-63.6-178.4164.400115.6
70G39.9Very low45.4Very low79 Ų79142.3 Ų142.381%0.81476%0.758SS**  trans172.296.8172.700000113.3
71E45.1Very low46.5Very low199 Ų199141 Ų14193%0.9375%0.747SS**  trans-79.6128.3172.8-62.4-179.5129.600110.8
72N38.6Very low47.9Very low96 Ų96140.5 Ų140.551%0.51375%0.749SS.*  trans-147.8103.4151.9-164.142.6000111.7D75N72-D75 PolarHBondContact ND2-OD2 2.86Å
73P50.4Low49.1Very low114 Ų114142 Ų14274%0.7475%0.745SS**  trans-95.224.2179.137.9-34.7000113.7
74E50.3Low50.4Low167 Ų167141.9 Ų141.978%0.7875%0.747SS**  trans-107.7-2.9-174-59-164.3142.700114.7
75D51.2Low52Low109 Ų109146.3 Ų146.358%0.58376%0.757SS**  trans-104.547.5-177.2-60.2-56.3000114.1N72 R79N72-D75 PolarHBondContact ND2-OD2 2.86Å; D75-R79 PolarHBondContact O-NE 2.83Å; D75-R79 PolarHBondContact O-NH2 3.34Å; D75-R79 VanDerWaalsContact O-NH2 3.1Å
76E51.4Low54.1Low128 Ų128148 Ų14860%0.59876%0.755SS**SBendtrans-105.5-34.8178.1-62-126.6106.600114.7R79E76-R79 IonicContact OE1-CZ 3.69Å; E76-R79 VanDerWaalsContact OE1-CZ 3.27Å; E76-R79 IonicContact OE1-NH1 2.6Å; E76-R79 PolarHBondContact OE1-NH1 3.08Å; E76-R79 IonicContact OE1-NH2 2.67Å; E76-R79 PolarHBondContact OE1-NH2 2.96Å
77D52.9Low56.1Low173 Ų173149.3 Ų149.393%0.92576%0.759SS**THydrogen-bonded Turntrans-74.3-35.6-176.4-92-29.1000113.9R79D77-R79 PolarHBondContact O-N 3.5Å; D77-R79 VanDerWaalsContact O-N 3.07Å
78D52.9Low58.3Low147 Ų147149.2 Ų149.279%0.78676%0.763SS**THydrogen-bonded Turntrans-79.112.5-176.7-110.7-28.4000114T80D78-T80 PolarHBondContact O-N 3.03Å
79R56Low60.5Low164 Ų164149 Ų14962%0.61976%0.757SS**  trans-75.652.7172.5-63.5-172.4-171.8154.913.3112D75 E76 D77 A81D75-R79 PolarHBondContact O-NE 2.83Å; D75-R79 PolarHBondContact O-NH2 3.34Å; D75-R79 VanDerWaalsContact O-NH2 3.1Å; E76-R79 IonicContact OE1-CZ 3.69Å; E76-R79 VanDerWaalsContact OE1-CZ 3.27Å; E76-R79 IonicContact OE1-NH1 2.6Å; E76-R79 PolarHBondContact OE1-NH1 3.08Å; E76-R79 IonicContact OE1-NH2 2.67Å; E76-R79 PolarHBondContact OE1-NH2 2.96Å; D77-R79 PolarHBondContact O-N 3.5Å; D77-R79 VanDerWaalsContact O-N 3.07Å; R79-A81 PolarHBondContact O-N 3.38Å
80T60.2Low62.2Low109 Ų109143.3 Ų143.367%0.66974%0.739SS**  trans-47.9113.3167.254.20000108.8D78 V82D78-T80 PolarHBondContact O-N 3.03Å; T80-V82 WeakPolarHBondContact O-CG2 3.26Å; T80-V82 PolarHBondContact O-N 3.48Å
81A63.3Low64.2Low64 Ų64142.5 Ų142.553%0.52972%0.716SS.*  trans-61.7110.2-161.200000111.2R79 F83R79-A81 PolarHBondContact O-N 3.38Å; A81-F83 HydrophobicContact CB-CD2 3.92Å; A81-F83 HydrophobicContact CB-CE2 3.46Å; A81-F83 VanDerWaalsContact CB-CE2 3.46Å; A81-F83 HydrophobicContact CB-CZ 3.81Å; A81-F83 VanDerWaalsContact O-CD2 3.26Å; A81-F83 WeakPolarHBondContact O-CD2 3.07Å; A81-F83 PolarHBondContact O-N 3.42Å
82V65Low66.1Low144 Ų144142.5 Ų142.587%0.87371%0.707SS**  trans-7665-177.1-168.80000109.9T80 S84T80-V82 WeakPolarHBondContact O-CG2 3.26Å; T80-V82 PolarHBondContact O-N 3.48Å; V82-S84 PolarHBondContact O-N 3.47Å
83F68.4Low68Low170 Ų170143 Ų14375%0.74671%0.71SS**  trans-58.7127.4170.9-65.8-67.7000108.8A81 R85A81-F83 HydrophobicContact CB-CD2 3.92Å; A81-F83 HydrophobicContact CB-CE2 3.46Å; A81-F83 VanDerWaalsContact CB-CE2 3.46Å; A81-F83 HydrophobicContact CB-CZ 3.81Å; A81-F83 VanDerWaalsContact O-CD2 3.26Å; A81-F83 WeakPolarHBondContact O-CD2 3.07Å; A81-F83 PolarHBondContact O-N 3.42Å; F83-R85 PolarHBondContact O-N 2.75Å
84S74.4Confident69.2Low113 Ų113146.4 Ų146.479%0.7971%0.708SS**  trans-59.9101.9172.9-172.70000109V82 R86V82-S84 PolarHBondContact O-N 3.47Å; S84-R86 PolarHBondContact O-N 2.67Å
85R78.5Confident70.3Confident240 Ų240145.1 Ų145.191%0.90670%0.697SS**  trans-64.996179.5-67.3-178.773.5169.33.3108F83 K87F83-R85 PolarHBondContact O-N 2.75Å; R85-K87 PolarHBondContact O-N 2.76Å
86R80Confident71.1Confident227 Ų227144.9 Ų144.986%0.85769%0.693SS**  trans-52.3137.1169.8-53-177-158.71678.1107.4S84 L88S84-R86 PolarHBondContact O-N 2.67Å; R86-L88 PolarHBondContact O-N 3.44Å; R86-L88 VanDerWaalsContact O-N 3.09Å
87K81.4Confident71.7Confident174 Ų174142.1 Ų142.176%0.75769%0.691SS**  trans-60.7117.9175.8-67.9-169.8177.2-174.20109.3R85 E89R85-K87 PolarHBondContact O-N 2.76Å; K87-E89 HydrophobicContact CB-CG 4.21Å; K87-E89 WeakPolarHBondContact CD-OE1 3.1Å; K87-E89 IonicContact NZ-OE1 2.81Å; K87-E89 PolarHBondContact O-N 2.95Å
88L81.4Confident72.1Confident178 Ų178136.3 Ų136.393%0.93266%0.664SS**  trans-86.193.9164.9-66.9174.9000106.4R86R86-L88 PolarHBondContact O-N 3.44Å; R86-L88 VanDerWaalsContact O-N 3.09Å
89E81.9Confident72.6Confident143 Ų143136.2 Ų136.267%0.66866%0.659SS**  trans-91137.8172.8-73.5169-170.500108.6K87K87-E89 HydrophobicContact CB-CG 4.21Å; K87-E89 WeakPolarHBondContact CD-OE1 3.1Å; K87-E89 IonicContact NZ-OE1 2.81Å; K87-E89 PolarHBondContact O-N 2.95Å
90S83.6Confident72.8Confident71 Ų71138.3 Ų138.350%0.49767%0.667SS.*  trans-54.3139.9176.31700000110.8W92 D93S90-W92 WeakPolarHBondContact OG-CB 3.34Å; S90-W92 PolarHBondContact OG-N 3.45Å; S90-W92 VanDerWaalsContact OG-N 3.08Å; S90-D93 WeakPolarHBondContact CB-OD1 3.49Å; S90-D93 PolarHBondContact OG-OD1 2.98Å
91N81.7Confident72.8Confident62 Ų62136.5 Ų136.533%0.33266%0.663SS.*SBendtrans-106.31.4167.4-166.346.1000112.1D93 R94 Y95N91-D93 VanDerWaalsContact C-N 3.33Å; N91-D93 PolarHBondContact O-N 3.26Å; N91-R94 PolarHBondContact O-N 2.97Å; N91-R94 WeakPolarHBondContact OD1-CD 3.25Å; N91-R94 WeakPolarHBondContact OD1-CG 3.13Å; N91-R94 PolarHBondContact OD1-NH1 3.24Å; N91-Y95 WeakPolarHBondContact ND2-CE2 3.5Å; N91-Y95 PolarHBondContact ND2-OH 3.35Å; N91-Y95 VanDerWaalsContact O-CD2 3.29Å; N91-Y95 WeakPolarHBondContact O-CD2 3.43Å
92W84.9Confident72.5Confident200 Ų200141.6 Ų141.676%0.75868%0.676SS**THydrogen-bonded Turntrans-63.3-39.6-179.2-67.3102.1000111.9S90 R94 Y95 E96S90-W92 WeakPolarHBondContact OG-CB 3.34Å; S90-W92 PolarHBondContact OG-N 3.45Å; S90-W92 VanDerWaalsContact OG-N 3.08Å; W92-R94 PolarHBondContact O-N 3.29Å; W92-Y95 PolarHBondContact O-N 3.43Å; W92-E96 PolarHBondContact O-N 2.98Å
93D77.8Confident72.2Confident106 Ų106143.5 Ų143.557%0.56768%0.676SS**Hα-helixtrans-53.7-25.8177.1-47.342.4000113.1S90 N91S90-D93 WeakPolarHBondContact CB-OD1 3.49Å; S90-D93 PolarHBondContact OG-OD1 2.98Å; N91-D93 VanDerWaalsContact C-N 3.33Å; N91-D93 PolarHBondContact O-N 3.26Å
94R75.6Confident71.9Confident185 Ų185142.4 Ų142.470%0.69868%0.677SS**Hα-helixtrans-76-24.1175.3-69.2-157.8-179.2119.1-2.9113.5N91 W92N91-R94 PolarHBondContact O-N 2.97Å; N91-R94 WeakPolarHBondContact OD1-CD 3.25Å; N91-R94 WeakPolarHBondContact OD1-CG 3.13Å; N91-R94 PolarHBondContact OD1-NH1 3.24Å; W92-R94 PolarHBondContact O-N 3.29Å
95Y73.4Confident71Confident141 Ų141144.2 Ų144.255%0.55368%0.678SS**Hα-helixtrans-95-35.4-176.3-60.1-67.6000112.1N91 W92 A97 S98 E99N91-Y95 WeakPolarHBondContact ND2-CE2 3.5Å; N91-Y95 PolarHBondContact ND2-OH 3.35Å; N91-Y95 VanDerWaalsContact O-CD2 3.29Å; N91-Y95 WeakPolarHBondContact O-CD2 3.43Å; W92-Y95 PolarHBondContact O-N 3.43Å; Y95-A97 PolarHBondContact O-N 2.96Å; Y95-S98 WeakPolarHBondContact CA-OG 3.33Å; Y95-S98 PolarHBondContact O-N 2.99Å; Y95-S98 PolarHBondContact O-OG 3.29Å; Y95-E99 PolarHBondContact O-N 3.47Å
96E69.1Low70.3Confident104 Ų104136.3 Ų136.349%0.48667%0.671SS.*Hα-helixtrans-55.6-36.4168.3-66.2-172.5-171.700111.8W92 S98 E99 R100W92-E96 PolarHBondContact O-N 2.98Å; E96-S98 VanDerWaalsContact C-N 3.29Å; E96-S98 PolarHBondContact O-N 2.75Å; E96-E99 PolarHBondContact O-N 2.92Å; E96-R100 PolarHBondContact O-N 3.43Å; E96-R100 VanDerWaalsContact O-N 3.1Å
97A63.3Low69.2Low69 Ų69131.2 Ų131.257%0.5767%0.665SS**Hα-helixtrans-69.6-22.6178.100000113.8Y95Y95-A97 PolarHBondContact O-N 2.96Å
98S60.7Low68Low52 Ų52127.1 Ų127.136%0.36466%0.657SS.*Hα-helixtrans-87.4-37.9169.837.80000112.4Y95 E96 R100 A101 E102Y95-S98 WeakPolarHBondContact CA-OG 3.33Å; Y95-S98 PolarHBondContact O-N 2.99Å; Y95-S98 PolarHBondContact O-OG 3.29Å; E96-S98 VanDerWaalsContact C-N 3.29Å; E96-S98 PolarHBondContact O-N 2.75Å; S98-R100 PolarHBondContact O-N 2.72Å; S98-A101 WeakPolarHBondContact O-CA 3.09Å; S98-A101 WeakPolarHBondContact O-CB 3.41Å; S98-A101 PolarHBondContact O-N 3.49Å; S98-E102 PolarHBondContact O-N 2.97Å
99E63.1Low67Low144 Ų144125 Ų12567%0.67366%0.657SS**Hα-helixtrans-58.3-47.3177.2-176178.5-15300111.3Y95 E96 A101 E102Y95-E99 PolarHBondContact O-N 3.47Å; E96-E99 PolarHBondContact O-N 2.92Å; E99-A101 PolarHBondContact O-N 3.38Å; E99-A101 VanDerWaalsContact O-N 3.1Å; E99-E102 PolarHBondContact O-N 3.01Å
100R60.9Low66.3Low208 Ų208124.9 Ų124.979%0.78566%0.656SS**THydrogen-bonded Turntrans-70.30.9173.9-70.2-171.6-179.5156.58.5115.2E96 S98E96-R100 PolarHBondContact O-N 3.43Å; E96-R100 VanDerWaalsContact O-N 3.1Å; S98-R100 PolarHBondContact O-N 2.72Å
101A60.4Low65.6Low71 Ų71132.9 Ų132.959%0.58768%0.675SS**THydrogen-bonded Turntrans-108-2.4178.500000113.4S98 E99S98-A101 WeakPolarHBondContact O-CA 3.09Å; S98-A101 WeakPolarHBondContact O-CB 3.41Å; S98-A101 PolarHBondContact O-N 3.49Å; E99-A101 PolarHBondContact O-N 3.38Å; E99-A101 VanDerWaalsContact O-N 3.1Å
102E56.7Low65.2Low171 Ų171132.3 Ų132.380%0.79968%0.684SS**SBendtrans-101.84.7-177.2-69.6-167.7176.300114.9S98 E99S98-E102 PolarHBondContact O-N 2.97Å; E99-E102 PolarHBondContact O-N 3.01Å
103E58.8Low64.8Low185 Ų185127.2 Ų127.286%0.86468%0.675SS**SBendtrans-76.9-28.4179-72.2-163.6129.200115.1
104D61.5Low65.1Low146 Ų146125.2 Ų125.278%0.78167%0.665SS**SBendtrans-156.896.7177.2-166.319.8000113.3
105D56.3Low65.2Low152 Ų152123 Ų12381%0.81366%0.66SS**SBendtrans-173.8119.6131.9-123.4-33.4000112.3T107D105-T107 PolarHBondContact O-N 2.81Å; D105-T107 VanDerWaalsContact O-N 3.15Å
106G63.1Low65.5Low74 Ų74122.6 Ų122.676%0.76366%0.663SS**  trans70.213.8148.500000120.6
107T57.1Low66.2Low119 Ų119121.3 Ų121.373%0.7366%0.662SS**  trans-66.6127.7166.460.60000110D105 S109D105-T107 PolarHBondContact O-N 2.81Å; D105-T107 VanDerWaalsContact O-N 3.15Å; T107-S109 PolarHBondContact O-N 3.07Å
108P56.4Low66.9Low89 Ų89121.9 Ų121.958%0.57866%0.656SS**  trans-71.9107.1175.627.9-32.3000108.7Q110 R111P108-Q110 CarbonylContact O-C 3.59Å; P108-Q110 PolarHBondContact O-N 3.48Å; P108-R111 HydrophobicContact CG-CB 4.48Å; P108-R111 PolarHBondContact O-N 2.93Å
109S61.2Low67.8Low132 Ų132124.4 Ų124.492%0.92366%0.664SS**SBendtrans-56.9-14.6-177.7-35.60000113.9T107T107-S109 PolarHBondContact O-N 3.07Å
110Q66.2Low68.5Low141 Ų141121.8 Ų121.866%0.65967%0.667SS**  trans-119.174.1169.4-174161.433.500110.6P108 G112P108-Q110 CarbonylContact O-C 3.59Å; P108-Q110 PolarHBondContact O-N 3.48Å; Q110-G112 WeakPolarHBondContact CG-O 3.27Å; Q110-G112 PolarHBondContact O-N 3.08Å
111R70.3Confident69.2Low239 Ų239115.8 Ų115.890%0.90266%0.657SS**  trans-78.865.9173.4-167.2-175.6177.7167.1-0111.5P108P108-R111 HydrophobicContact CG-CB 4.48Å; P108-R111 PolarHBondContact O-N 2.93Å
112G71.9Confident69.6Low50 Ų50114.4 Ų114.452%0.51565%0.646SS.*SBendtrans137.8172.917900000112.7Q110Q110-G112 WeakPolarHBondContact CG-O 3.27Å; Q110-G112 PolarHBondContact O-N 3.08Å
113T76.7Confident70.2Confident93 Ų93108.6 Ų108.657%0.57163%0.632SS**  trans-70.4140.4169.941.90000110.5L118T113-L118 WeakPolarHBondContact OG1-CD1 3.36Å; T113-L118 WeakPolarHBondContact OG1-CG 3.27Å
114D85.1Confident70.6Confident65 Ų65106.4 Ų106.435%0.34863%0.626SS.*  trans-52.8139173.2165.922.7000111H116 V117 L118D114-H116 VanDerWaalsContact C-N 3.25Å; D114-H116 PolarHBondContact O-N 3.07Å; D114-H116 IonicContact OD1-CD2 2.99Å; D114-H116 PolarHBondContact OD1-N 3.48Å; D114-V117 HydrophobicContact CB-CB 4.2Å; D114-V117 HydrophobicContact CB-CG2 3.98Å; D114-V117 CarbonylContact O-C 3.51Å; D114-V117 WeakPolarHBondContact O-CB 3.38Å; D114-V117 PolarHBondContact O-N 3.36Å; D114-V117 VanDerWaalsContact O-N 3.08Å; D114-L118 PolarHBondContact O-N 2.97Å
115F77.4Confident70.5Confident138 Ų138105.3 Ų105.361%0.60563%0.63SS**Hα-helixtrans-57.6-35.7177.4-179.7-112.3000112.4L118 L119F115-L118 WeakPolarHBondContact O-CB 3.3Å; F115-L118 PolarHBondContact O-N 2.9Å; F115-L119 HydrophobicContact CD1-CD1 4.04Å; F115-L119 HydrophobicContact CE1-CD1 3.5Å; F115-L119 VanDerWaalsContact CE1-CD1 3.5Å; F115-L119 HydrophobicContact CE1-CG 4.16Å; F115-L119 HydrophobicContact CE2-CD1 4.44Å; F115-L119 HydrophobicContact CE2-CD2 4.45Å; F115-L119 HydrophobicContact CE2-CG 4.26Å; F115-L119 HydrophobicContact CZ-CD1 3.72Å; F115-L119 HydrophobicContact CZ-CD2 4.24Å; F115-L119 HydrophobicContact CZ-CG 4.02Å; F115-L119 WeakPolarHBondContact O-CG 3.36Å; F115-L119 PolarHBondContact O-N 3.2Å
116H80.5Confident70.6Confident132 Ų132105.9 Ų105.961%0.61163%0.626SS**Hα-helixtrans-71.3-35.1175.3-65.3-67000112.6D114 L119 A120D114-H116 VanDerWaalsContact C-N 3.25Å; D114-H116 PolarHBondContact O-N 3.07Å; D114-H116 IonicContact OD1-CD2 2.99Å; D114-H116 PolarHBondContact OD1-N 3.48Å; H116-L119 PolarHBondContact O-N 2.86Å; H116-A120 VanDerWaalsContact O-CB 3.29Å; H116-A120 WeakPolarHBondContact O-CB 3.44Å; H116-A120 PolarHBondContact O-N 2.71Å
117V82.1Confident70.3Confident77 Ų77105.4 Ų105.447%0.46761%0.61SS.*Hα-helixtrans-67.4-39.4171.21760000110.8D114 A120 S121D114-V117 HydrophobicContact CB-CB 4.2Å; D114-V117 HydrophobicContact CB-CG2 3.98Å; D114-V117 CarbonylContact O-C 3.51Å; D114-V117 WeakPolarHBondContact O-CB 3.38Å; D114-V117 PolarHBondContact O-N 3.36Å; D114-V117 VanDerWaalsContact O-N 3.08Å; V117-A120 PolarHBondContact O-N 3.2Å; V117-S121 WeakPolarHBondContact O-CB 3.43Å; V117-S121 PolarHBondContact O-N 2.93Å; V117-S121 PolarHBondContact O-OG 3.44Å
118L79.1Confident70.5Confident82 Ų82105.1 Ų105.143%0.42960%0.601SS.*Hα-helixtrans-60.4-51172.2-88.6160.5000110.9T113 D114 F115 A120 S121 A122T113-L118 WeakPolarHBondContact OG1-CD1 3.36Å; T113-L118 WeakPolarHBondContact OG1-CG 3.27Å; D114-L118 PolarHBondContact O-N 2.97Å; F115-L118 WeakPolarHBondContact O-CB 3.3Å; F115-L118 PolarHBondContact O-N 2.9Å; L118-A120 VanDerWaalsContact C-N 3.3Å; L118-A120 PolarHBondContact O-N 3.05Å; L118-S121 CarbonylContact O-C 3.58Å; L118-S121 PolarHBondContact O-N 2.95Å; L118-S121 PolarHBondContact O-OG 2.94Å; L118-A122 WeakPolarHBondContact O-CA 3.49Å; L118-A122 WeakPolarHBondContact O-CB 3.47Å; L118-A122 PolarHBondContact O-N 3.01Å
119L78.6Confident70.6Confident105 Ų105109.9 Ų109.955%0.5561%0.613SS.*Hα-helixtrans-61.1-35176.2-72.6178.1000113.3F115 H116F115-L119 HydrophobicContact CD1-CD1 4.04Å; F115-L119 HydrophobicContact CE1-CD1 3.5Å; F115-L119 VanDerWaalsContact CE1-CD1 3.5Å; F115-L119 HydrophobicContact CE1-CG 4.16Å; F115-L119 HydrophobicContact CE2-CD1 4.44Å; F115-L119 HydrophobicContact CE2-CD2 4.45Å; F115-L119 HydrophobicContact CE2-CG 4.26Å; F115-L119 HydrophobicContact CZ-CD1 3.72Å; F115-L119 HydrophobicContact CZ-CD2 4.24Å; F115-L119 HydrophobicContact CZ-CG 4.02Å; F115-L119 WeakPolarHBondContact O-CG 3.36Å; F115-L119 PolarHBondContact O-N 3.2Å; H116-L119 PolarHBondContact O-N 2.86Å
120A78.9Confident70.5Confident89 Ų89108.7 Ų108.774%0.73659%0.588SS**Hα-helixtrans-77.9-20.3178.400000114.1H116 V117 L118H116-A120 VanDerWaalsContact O-CB 3.29Å; H116-A120 WeakPolarHBondContact O-CB 3.44Å; H116-A120 PolarHBondContact O-N 2.71Å; V117-A120 PolarHBondContact O-N 3.2Å; L118-A120 VanDerWaalsContact C-N 3.3Å; L118-A120 PolarHBondContact O-N 3.05Å
121S75.1Confident70.1Confident81 Ų81109.8 Ų109.857%0.56659%0.591SS**Hα-helixtrans-105.6-11.8176.1580000113.6V117 L118 G123V117-S121 WeakPolarHBondContact O-CB 3.43Å; V117-S121 PolarHBondContact O-N 2.93Å; V117-S121 PolarHBondContact O-OG 3.44Å; L118-S121 CarbonylContact O-C 3.58Å; L118-S121 PolarHBondContact O-N 2.95Å; L118-S121 PolarHBondContact O-OG 2.94Å; S121-G123 PolarHBondContact O-N 3.37Å
122A68.2Low69.7Low43 Ų43104.2 Ų104.236%0.35560%0.596SS.*SBendtrans-71.868.4165.100000109.9L118 D124L118-A122 WeakPolarHBondContact O-CA 3.49Å; L118-A122 WeakPolarHBondContact O-CB 3.47Å; L118-A122 PolarHBondContact O-N 3.01Å; A122-D124 PolarHBondContact O-N 3.17Å
123G68.9Low69.2Low49 Ų49110.6 Ų110.651%0.50561%0.613SS.*  trans-55.4136.717200000111.1S121 Q128S121-G123 PolarHBondContact O-N 3.37Å; G123-Q128 PolarHBondContact O-NE2 3.45Å
124D67.2Low68.7Low138 Ų138110.6 Ų110.674%0.73861%0.606SS**  trans15.7127-179-1579.8000118.2A122 F126A122-D124 PolarHBondContact O-N 3.17Å; D124-F126 PolarHBondContact O-N 3.14Å
125S59.7Low68.1Low124 Ų124115.5 Ų115.587%0.86762%0.624SS**THydrogen-bonded Turntrans-74.232.9-167.163.40000115
126F58Low67.7Low164 Ų164113.5 Ų113.572%0.71962%0.62SS**THydrogen-bonded Turntrans-96.3-28.9-180-176.1-108.6000113.5D124D124-F126 PolarHBondContact O-N 3.14Å
127S58.4Low67.1Low63 Ų63117.8 Ų117.844%0.44163%0.631SS.*  trans-16793.5179.5172.30000113.3R130S127-R130 WeakPolarHBondContact OG-CD 3.5Å; S127-R130 WeakPolarHBondContact OG-CG 3.16Å
128Q61.2Low66Low113 Ų113122.9 Ų122.953%0.52865%0.65SS.*SBendtrans-116.9-19.7167.6-65.5-116.6-34.100113.6G123G123-Q128 PolarHBondContact O-NE2 3.45Å
129F57.8Low65.4Low189 Ų189124.7 Ų124.783%0.82966%0.664SS**  trans-130.193.6166.3-65.5-82.4000108.8
130R59.9Low64.2Low108 Ų108123.2 Ų123.241%0.40866%0.657SS.*  trans-110.4122.6159.7-73.5-173168.1-118.3-8.1107.9S127 E134 D136S127-R130 WeakPolarHBondContact OG-CD 3.5Å; S127-R130 WeakPolarHBondContact OG-CG 3.16Å; R130-E134 VanDerWaalsContact CA-OE2 3.26Å; R130-E134 WeakPolarHBondContact CA-OE2 3.49Å; R130-E134 WeakPolarHBondContact CB-OE2 3.42Å; R130-E134 WeakPolarHBondContact CG-OE2 3.45Å; R130-D136 IonicContact CZ-OD1 2.65Å; R130-D136 IonicContact NH1-OD1 2.95Å; R130-D136 PolarHBondContact NH1-OD1 3.49Å; R130-D136 IonicContact NH1-OD2 2.71Å; R130-D136 PolarHBondContact NH1-OD2 2.85Å; R130-D136 IonicContact NH2-OD1 3.41Å
131F58Low63.3Low163 Ų163123.5 Ų123.572%0.71565%0.651SS**  trans-70.6147.3174.8-69-87.4000109E133 E134F131-E133 PolarHBondContact O-N 2.67Å; F131-E134 HydrophobicContact CB-CB 4.25Å; F131-E134 WeakPolarHBondContact O-CB 3.5Å; F131-E134 PolarHBondContact O-N 3.32Å
132A60.8Low62.3Low123 Ų123126.3 Ų126.3100%1.01765%0.653SS**THydrogen-bonded Turntrans-65.4-7.617600000113.5
133E60.7Low61.8Low184 Ų184127.5 Ų127.586%0.8666%0.656SS**THydrogen-bonded Turntrans-115.37.3176.4-167.8160.6-150.600111.8F131 K135F131-E133 PolarHBondContact O-N 2.67Å; E133-K135 PolarHBondContact O-N 3.36Å
134E66.4Low61.2Low92 Ų92128.9 Ų128.943%0.4366%0.663SS.*  trans-70.683.6165.9-171.3177.1-176.500108.6R130 F131 D136R130-E134 VanDerWaalsContact CA-OE2 3.26Å; R130-E134 WeakPolarHBondContact CA-OE2 3.49Å; R130-E134 WeakPolarHBondContact CB-OE2 3.42Å; R130-E134 WeakPolarHBondContact CG-OE2 3.45Å; F131-E134 HydrophobicContact CB-CB 4.25Å; F131-E134 WeakPolarHBondContact O-CB 3.5Å; F131-E134 PolarHBondContact O-N 3.32Å; E134-D136 VanDerWaalsContact C-N 3.34Å; E134-D136 PolarHBondContact O-N 3.34Å
135K73Confident60.8Low168 Ų168129 Ų12973%0.7366%0.663SS**  trans-64.198.2166.3-178.8-177.1178.2-173.40107.1E133 W137E133-K135 PolarHBondContact O-N 3.36Å; K135-W137 PolarHBondContact O-N 3.36Å
136D68.8Low60.7Low96 Ų96130.3 Ų130.351%0.51366%0.656SS.*  trans-44.2117.2163.3-74.5-73.6000107.1R130 E134 E138R130-D136 IonicContact CZ-OD1 2.65Å; R130-D136 IonicContact NH1-OD1 2.95Å; R130-D136 PolarHBondContact NH1-OD1 3.49Å; R130-D136 IonicContact NH1-OD2 2.71Å; R130-D136 PolarHBondContact NH1-OD2 2.85Å; R130-D136 IonicContact NH2-OD1 3.41Å; E134-D136 VanDerWaalsContact C-N 3.34Å; E134-D136 PolarHBondContact O-N 3.34Å; D136-E138 PolarHBondContact O-N 2.95Å
137W69.4Low60.5Low223 Ų223129.4 Ų129.485%0.84566%0.655SS**  trans-63.9108.3169.3-71.691.2000105.7K135 T139K135-W137 PolarHBondContact O-N 3.36Å; W137-T139 VanDerWaalsContact C-N 3.31Å; W137-T139 PolarHBondContact O-N 2.82Å
138E58.8Low60.5Low184 Ų184130 Ų13086%0.8666%0.66SS**  trans-56100.3176.4-69.2-176.614700107.4D136 D140D136-E138 PolarHBondContact O-N 2.95Å; E138-D140 PolarHBondContact O-N 3.08Å
139T64.8Low60.6Low119 Ų119130.5 Ų130.573%0.7367%0.673SS**  trans-70.577.1168.234.70000105.9W137W137-T139 VanDerWaalsContact C-N 3.31Å; W137-T139 PolarHBondContact O-N 2.82Å
140D55.1Low60.9Low74 Ų74126 Ų12640%0.39666%0.661SS.*  trans-37.5122.6-168.3171.720.4000109E138 F142 T143E138-D140 PolarHBondContact O-N 3.08Å; D140-F142 CarbonylContact O-C 3.56Å; D140-F142 PolarHBondContact O-N 3.18Å; D140-F142 VanDerWaalsContact OD1-CD2 3.25Å; D140-F142 WeakPolarHBondContact OD1-CD2 3.29Å; D140-F142 PolarHBondContact OD1-N 3.45Å; D140-T143 HydrophobicContact CB-CG2 4.29Å; D140-T143 WeakPolarHBondContact O-CA 3.26Å; D140-T143 WeakPolarHBondContact O-CB 3.47Å; D140-T143 PolarHBondContact O-N 3.09Å; D140-T143 PolarHBondContact O-OG1 3.32Å
141P59.1Low61.5Low95 Ų95127.2 Ų127.262%0.61768%0.68SS**Hα-helixtrans-57-16.1-172.419.5-33.1000113.6N145P141-N145 VanDerWaalsContact O-CB 3.26Å; P141-N145 WeakPolarHBondContact O-CB 3.41Å; P141-N145 PolarHBondContact O-N 3.01Å
142F55.1Low62.5Low141 Ų141125 Ų12562%0.61868%0.675SS**Hα-helixtrans-66.2-38.7165.8-62.8-69.3000113.4D140 N145 Q146D140-F142 CarbonylContact O-C 3.56Å; D140-F142 PolarHBondContact O-N 3.18Å; D140-F142 VanDerWaalsContact OD1-CD2 3.25Å; D140-F142 WeakPolarHBondContact OD1-CD2 3.29Å; D140-F142 PolarHBondContact OD1-N 3.45Å; F142-N145 PolarHBondContact O-N 3.47Å; F142-Q146 WeakPolarHBondContact O-CA 3.34Å; F142-Q146 WeakPolarHBondContact O-CB 3.38Å; F142-Q146 WeakPolarHBondContact O-CG 3.08Å; F142-Q146 PolarHBondContact O-N 2.8Å
143T57Low63.9Low68 Ų68123.5 Ų123.542%0.41765%0.65SS.*Hα-helixtrans-59.3-47170.965.50000111.6D140 N145 M147D140-T143 HydrophobicContact CB-CG2 4.29Å; D140-T143 WeakPolarHBondContact O-CA 3.26Å; D140-T143 WeakPolarHBondContact O-CB 3.47Å; D140-T143 PolarHBondContact O-N 3.09Å; D140-T143 PolarHBondContact O-OG1 3.32Å; T143-N145 PolarHBondContact O-N 2.96Å; T143-M147 WeakPolarHBondContact O-CB 3.47Å; T143-M147 WeakPolarHBondContact O-CG 3.45Å; T143-M147 PolarHBondContact O-N 3.27Å; T143-M147 VanDerWaalsContact O-N 3.12Å
144A56.8Low65.3Low77 Ų77120.3 Ų120.364%0.63664%0.638SS**Hα-helixtrans-64.8-21.3179.200000114.1
145N59.2Low66.5Low141 Ų141120 Ų12075%0.75464%0.644SS**Hα-helixtrans-114.8-16.4-173.6-154.729.4000113.9P141 F142 T143P141-N145 VanDerWaalsContact O-CB 3.26Å; P141-N145 WeakPolarHBondContact O-CB 3.41Å; P141-N145 PolarHBondContact O-N 3.01Å; F142-N145 PolarHBondContact O-N 3.47Å; T143-N145 PolarHBondContact O-N 2.96Å
146Q56.8Low67.4Low152 Ų152114.1 Ų114.171%0.7163%0.627SS**Hα-helixtrans-87.4-23.5168.7-67.3-82.228.700111.6F142 S148F142-Q146 WeakPolarHBondContact O-CA 3.34Å; F142-Q146 WeakPolarHBondContact O-CB 3.38Å; F142-Q146 WeakPolarHBondContact O-CG 3.08Å; F142-Q146 PolarHBondContact O-N 2.8Å; Q146-S148 PolarHBondContact O-N 2.87Å
147M53.8Low68.5Low144 Ų144113.3 Ų113.371%0.70962%0.622SS**  trans-69.968.3161.7-63.7-69.2179.400109.5T143T143-M147 WeakPolarHBondContact O-CB 3.47Å; T143-M147 WeakPolarHBondContact O-CG 3.45Å; T143-M147 PolarHBondContact O-N 3.27Å; T143-M147 VanDerWaalsContact O-N 3.12Å
148S59Low69.5Low77 Ų77104.8 Ų104.854%0.53860%0.599SS.*  trans-43.9146.1149.368.60000108.4Q146 V150Q146-S148 PolarHBondContact O-N 2.87Å; S148-V150 VanDerWaalsContact C-N 3.26Å; S148-V150 WeakPolarHBondContact O-CG2 3.43Å; S148-V150 PolarHBondContact O-N 2.93Å
149P61.5Low71.1Confident122 Ų122101.4 Ų101.479%0.79258%0.583SS**  trans-6589.7-175.726.6-34.7000110V151P149-V151 VanDerWaalsContact C-N 3.26Å; P149-V151 PolarHBondContact O-N 3Å
150V65.6Low72.3Confident96 Ų9698.6 Ų98.658%0.58257%0.568SS**  trans-67.495.3169.2-175.70000104.6S148 L152S148-V150 VanDerWaalsContact C-N 3.26Å; S148-V150 WeakPolarHBondContact O-CG2 3.43Å; S148-V150 PolarHBondContact O-N 2.93Å; V150-L152 HydrophobicContact CG1-CD2 3.69Å; V150-L152 HydrophobicContact CG1-CG 3.98Å; V150-L152 PolarHBondContact O-N 3.09Å
151V71Confident74Confident132 Ų132100 Ų10080%0.858%0.576SS**  trans-6982.6172.7-177.40000106.4P149 D153P149-V151 VanDerWaalsContact C-N 3.26Å; P149-V151 PolarHBondContact O-N 3Å; V151-D153 PolarHBondContact O-N 2.97Å
152L79.4Confident75.3Confident118 Ų118102.6 Ų102.662%0.61858%0.579SS**  trans-62.7102.8172.6-68.7173.7000106.8V150 L154V150-L152 HydrophobicContact CG1-CD2 3.69Å; V150-L152 HydrophobicContact CG1-CG 3.98Å; V150-L152 PolarHBondContact O-N 3.09Å; L152-L154 VanDerWaalsContact C-N 3.27Å; L152-L154 HydrophobicContact CB-CD2 4.48Å; L152-L154 PolarHBondContact O-N 3.13Å
153D89.8Confident77Confident91 Ų91103.1 Ų103.149%0.48758%0.584SS.*  trans-64.890.5173.3-176.9-19.7000108.1V151 P155 A156 L157V151-D153 PolarHBondContact O-N 2.97Å; D153-P155 VanDerWaalsContact C-N 3.32Å; D153-P155 WeakPolarHBondContact OD1-CB 3.4Å; D153-P155 WeakPolarHBondContact OD1-CD 3.47Å; D153-A156 HydrophobicContact CB-CB 3.86Å; D153-A156 VanDerWaalsContact CG-CB 3.41Å; D153-A156 PolarHBondContact O-N 3.33Å; D153-A156 VanDerWaalsContact O-N 3.08Å; D153-A156 PolarHBondContact OD1-N 2.81Å; D153-L157 WeakPolarHBondContact O-CB 3.45Å; D153-L157 PolarHBondContact O-N 3.06Å
154L90.8Very high78.6Confident117 Ų117102.2 Ų102.261%0.61358%0.578SS**Hα-helixtrans-57.5-39.7-179.6-58.6178.3000111.9L152 L157 A158L152-L154 VanDerWaalsContact C-N 3.27Å; L152-L154 HydrophobicContact CB-CD2 4.48Å; L152-L154 PolarHBondContact O-N 3.13Å; L154-L157 HydrophobicContact CD2-CD2 4.4Å; L154-L157 PolarHBondContact O-N 3.4Å; L154-A158 VanDerWaalsContact O-CB 3.27Å; L154-A158 WeakPolarHBondContact O-CB 3.41Å; L154-A158 PolarHBondContact O-N 3.35Å
155P92.3Very high80.1Confident85 Ų85101.5 Ų101.555%0.55257%0.567SS**Hα-helixtrans-53.9-50.1166.3-27.733.1000114.8D153 A158 Q159D153-P155 VanDerWaalsContact C-N 3.32Å; D153-P155 WeakPolarHBondContact OD1-CB 3.4Å; D153-P155 WeakPolarHBondContact OD1-CD 3.47Å; P155-A158 PolarHBondContact O-N 3.35Å; P155-Q159 WeakPolarHBondContact O-CG 3.48Å; P155-Q159 PolarHBondContact O-N 3.22Å
156A91.3Very high81.5Confident45 Ų4598.8 Ų98.837%0.37255%0.552SS.*Hα-helixtrans-68.2-37.1179.800000112.5D153 Q159 S160D153-A156 HydrophobicContact CB-CB 3.86Å; D153-A156 VanDerWaalsContact CG-CB 3.41Å; D153-A156 PolarHBondContact O-N 3.33Å; D153-A156 VanDerWaalsContact O-N 3.08Å; D153-A156 PolarHBondContact OD1-N 2.81Å; A156-Q159 PolarHBondContact O-N 3Å; A156-S160 PolarHBondContact O-N 3.25Å
157L91.9Very high83.1Confident78 Ų7893.6 Ų93.641%0.40853%0.527SS..Hα-helixtrans-63.6-43.3173.3179.861.6000111.4D153 L154 Q159 S160 L161D153-L157 WeakPolarHBondContact O-CB 3.45Å; D153-L157 PolarHBondContact O-N 3.06Å; L154-L157 HydrophobicContact CD2-CD2 4.4Å; L154-L157 PolarHBondContact O-N 3.4Å; L157-Q159 VanDerWaalsContact C-N 3.32Å; L157-Q159 PolarHBondContact O-N 3.27Å; L157-S160 PolarHBondContact O-N 2.98Å; L157-S160 PolarHBondContact O-OG 3.48Å; L157-L161 HydrophobicContact CD1-CD1 4.36Å; L157-L161 HydrophobicContact CD1-CG 4.44Å; L157-L161 HydrophobicContact CG-CD1 4.19Å; L157-L161 VanDerWaalsContact O-CG 3.3Å; L157-L161 WeakPolarHBondContact O-CG 3.13Å; L157-L161 PolarHBondContact O-N 3.11Å
158A90Very high84.7Confident45 Ų4595.4 Ų95.437%0.37253%0.526SS..Hα-helixtrans-62.7-39.5175.400000111.7L154 P155 L161 Q162L154-A158 VanDerWaalsContact O-CB 3.27Å; L154-A158 WeakPolarHBondContact O-CB 3.41Å; L154-A158 PolarHBondContact O-N 3.35Å; P155-A158 PolarHBondContact O-N 3.35Å; A158-L161 PolarHBondContact O-N 3.01Å; A158-Q162 VanDerWaalsContact O-CG 3.27Å; A158-Q162 WeakPolarHBondContact O-CG 3.33Å; A158-Q162 PolarHBondContact O-N 3.13Å
159Q93.2Very high86.1Confident112 Ų11299.1 Ų99.152%0.52353%0.529SS..Hα-helixtrans-65.3-40.2174.9-71.6173.933.400112.5P155 A156 L157 Q162 Q163P155-Q159 WeakPolarHBondContact O-CG 3.48Å; P155-Q159 PolarHBondContact O-N 3.22Å; A156-Q159 PolarHBondContact O-N 3Å; L157-Q159 VanDerWaalsContact C-N 3.32Å; L157-Q159 PolarHBondContact O-N 3.27Å; Q159-Q162 PolarHBondContact O-N 3.1Å; Q159-Q163 WeakPolarHBondContact O-CG 3.49Å; Q159-Q163 PolarHBondContact O-N 3.33Å; Q159-Q163 PolarHBondContact O-NE2 3.2Å
160S90.6Very high87.4Confident60 Ų6098 Ų9842%0.4252%0.515SS..Hα-helixtrans-68.4-36.417770.80000112.1A156 L157 Q163A156-S160 PolarHBondContact O-N 3.25Å; L157-S160 PolarHBondContact O-N 2.98Å; L157-S160 PolarHBondContact O-OG 3.48Å; S160-Q163 PolarHBondContact O-N 3.34Å
161L89.1Confident88.5Confident105 Ų105100.7 Ų100.755%0.5553%0.526SS..Hα-helixtrans-67.6-34.2173.3-68.7171.8000112.8L157 A158 Q163 V164L157-L161 HydrophobicContact CD1-CD1 4.36Å; L157-L161 HydrophobicContact CD1-CG 4.44Å; L157-L161 HydrophobicContact CG-CD1 4.19Å; L157-L161 VanDerWaalsContact O-CG 3.3Å; L157-L161 WeakPolarHBondContact O-CG 3.13Å; L157-L161 PolarHBondContact O-N 3.11Å; A158-L161 PolarHBondContact O-N 3.01Å; L161-Q163 VanDerWaalsContact C-N 3.27Å; L161-Q163 PolarHBondContact O-N 2.73Å; L161-V164 WeakPolarHBondContact O-CB 3.28Å; L161-V164 WeakPolarHBondContact O-CG2 3.22Å; L161-V164 PolarHBondContact O-N 3.16Å
162Q87.6Confident89.3Confident148 Ų14898.2 Ų98.269%0.69251%0.508SS*.Hα-helixtrans-66.7-26.9173.3-76.1171.51.200113.1A158 Q159 V164A158-Q162 VanDerWaalsContact O-CG 3.27Å; A158-Q162 WeakPolarHBondContact O-CG 3.33Å; A158-Q162 PolarHBondContact O-N 3.13Å; Q159-Q162 PolarHBondContact O-N 3.1Å; Q162-V164 VanDerWaalsContact C-N 3.28Å; Q162-V164 PolarHBondContact O-N 3.17Å
163Q90.4Very high89.7Confident152 Ų15299.2 Ų99.271%0.7151%0.51SS*.THydrogen-bonded Turntrans-79.7-5.9177.1-68.3168.531.500113.5Q159 S160 L161 P165Q159-Q163 WeakPolarHBondContact O-CG 3.49Å; Q159-Q163 PolarHBondContact O-N 3.33Å; Q159-Q163 PolarHBondContact O-NE2 3.2Å; S160-Q163 PolarHBondContact O-N 3.34Å; L161-Q163 VanDerWaalsContact C-N 3.27Å; L161-Q163 PolarHBondContact O-N 2.73Å; Q163-P165 WeakPolarHBondContact O-CD 3.33Å
164V90.1Very high89.4Confident50 Ų5097.8 Ų97.830%0.30351%0.51SS..SBendtrans-69.9125.1178.1-178.30000110.1L161 Q162 R168 R169L161-V164 WeakPolarHBondContact O-CB 3.28Å; L161-V164 WeakPolarHBondContact O-CG2 3.22Å; L161-V164 PolarHBondContact O-N 3.16Å; Q162-V164 VanDerWaalsContact C-N 3.28Å; Q162-V164 PolarHBondContact O-N 3.17Å; V164-R168 HydrophobicContact CG1-CB 3.74Å; V164-R169 HydrophobicContact CB-CG 3.99Å; V164-R169 HydrophobicContact CG1-CG 3.85Å; V164-R169 WeakPolarHBondContact O-CD 3.22Å
165P89.4Confident88.9Confident61 Ų61101 Ų10140%0.39652%0.522SS..  trans-55.5144.4179.4-28.235.7000113.5Q163 H167 R168 R169Q163-P165 WeakPolarHBondContact O-CD 3.33Å; P165-H167 VanDerWaalsContact C-N 3.29Å; P165-H167 VanDerWaalsContact CB-CE1 3.49Å; P165-H167 WeakPolarHBondContact CB-CE1 3.48Å; P165-H167 PolarHBondContact O-N 2.89Å; P165-R168 PolarHBondContact O-N 2.88Å; P165-R169 PolarHBondContact O-N 3.04Å; P165-R169 VanDerWaalsContact O-N 3.07Å
166L87.9Confident88.2Confident84 Ų84102.3 Ų102.344%0.4452%0.524SS..Hα-helixtrans-56.5-39.5-173.7-165.693.5000112.9R168 R169 L170 V177L166-R168 VanDerWaalsContact C-N 3.31Å; L166-R168 PolarHBondContact O-N 2.93Å; L166-R169 PolarHBondContact O-N 3.39Å; L166-R169 VanDerWaalsContact O-N 3.08Å; L166-L170 HydrophobicContact CD2-CD1 3.75Å; L166-L170 HydrophobicContact CG-CD1 3.85Å; L166-L170 HydrophobicContact CG-CG 4.24Å; L166-L170 WeakPolarHBondContact O-CG 3.47Å; L166-L170 PolarHBondContact O-N 2.94Å; L166-V177 HydrophobicContact CB-CG1 4.16Å; L166-V177 HydrophobicContact CD2-CG1 3.66Å; L166-V177 HydrophobicContact CG-CG1 4.46Å
167H89.9Confident87.4Confident43 Ų43101 Ų10120%0.19951%0.512CS..Hα-helixtrans-58.7-40176.259.8-106.3000112.4P165 L170 N171 L172 V177P165-H167 VanDerWaalsContact C-N 3.29Å; P165-H167 VanDerWaalsContact CB-CE1 3.49Å; P165-H167 WeakPolarHBondContact CB-CE1 3.48Å; P165-H167 PolarHBondContact O-N 2.89Å; H167-L170 PolarHBondContact O-N 3.29Å; H167-N171 WeakPolarHBondContact O-CA 3.41Å; H167-N171 PolarHBondContact O-N 3.05Å; H167-L172 PolarHBondContact O-N 3.09Å; H167-V177 HydrophobicContact CB-CB 4.03Å; H167-V177 HydrophobicContact CB-CG2 3.69Å
168R88.9Confident86.5Confident182 Ų182105.1 Ų105.169%0.68753%0.529SS*.Hα-helixtrans-71.2-34174.1-62.2-168.6179.6-165.6-5.1112.6V164 P165 L166 L170 N171V164-R168 HydrophobicContact CG1-CB 3.74Å; P165-R168 PolarHBondContact O-N 2.88Å; L166-R168 VanDerWaalsContact C-N 3.31Å; L166-R168 PolarHBondContact O-N 2.93Å; R168-L170 VanDerWaalsContact C-N 3.33Å; R168-N171 PolarHBondContact O-N 3.15Å
169R87.9Confident85.2Confident156 Ų156109 Ų10959%0.58955%0.547SS*.Hα-helixtrans-69.5-28.8176.7-71.4175.951.5-155.6-9.5113.5V164 P165 L166V164-R169 HydrophobicContact CB-CG 3.99Å; V164-R169 HydrophobicContact CG1-CG 3.85Å; V164-R169 WeakPolarHBondContact O-CD 3.22Å; P165-R169 PolarHBondContact O-N 3.04Å; P165-R169 VanDerWaalsContact O-N 3.07Å; L166-R169 PolarHBondContact O-N 3.39Å; L166-R169 VanDerWaalsContact O-N 3.08Å
170L88.4Confident83.8Confident98 Ų98107.6 Ų107.651%0.51355%0.55SS.*THydrogen-bonded Turntrans-98.8-1.4178.4-61.4178.3000113.1L166 H167 R168 L172L166-L170 HydrophobicContact CD2-CD1 3.75Å; L166-L170 HydrophobicContact CG-CD1 3.85Å; L166-L170 HydrophobicContact CG-CG 4.24Å; L166-L170 WeakPolarHBondContact O-CG 3.47Å; L166-L170 PolarHBondContact O-N 2.94Å; H167-L170 PolarHBondContact O-N 3.29Å; R168-L170 VanDerWaalsContact C-N 3.33Å; L170-L172 VanDerWaalsContact C-N 3.26Å; L170-L172 HydrophobicContact CB-CD1 3.86Å; L170-L172 HydrophobicContact CB-CG 3.82Å; L170-L172 HydrophobicContact CD1-CD1 4.02Å; L170-L172 PolarHBondContact O-N 3.39Å
171N88.6Confident82.3Confident152 Ų152109 Ų10981%0.81357%0.565SS**THydrogen-bonded Turntrans50.343.8-170.8-161.656.3000113.4H167 R168H167-N171 WeakPolarHBondContact O-CA 3.41Å; H167-N171 PolarHBondContact O-N 3.05Å; R168-N171 PolarHBondContact O-N 3.15Å
172L88.5Confident80.8Confident80 Ų80109.3 Ų109.342%0.41957%0.573SS.*  trans-107.9155.6176.6-61.8177.5000110.4H167 L170 V177H167-L172 PolarHBondContact O-N 3.09Å; L170-L172 VanDerWaalsContact C-N 3.26Å; L170-L172 HydrophobicContact CB-CD1 3.86Å; L170-L172 HydrophobicContact CB-CG 3.82Å; L170-L172 HydrophobicContact CD1-CD1 4.02Å; L170-L172 PolarHBondContact O-N 3.39Å; L172-V177 HydrophobicContact CB-CG2 4.12Å; L172-V177 HydrophobicContact CD1-CG2 4.02Å
173E87.6Confident79.6Confident140 Ų140106.6 Ų106.665%0.65458%0.576SS**  trans-61.4144.9169.2-59.5-170.6145.100110.8E175 L176E173-E175 PolarHBondContact O-N 3.49Å; E173-E175 VanDerWaalsContact O-N 3.14Å; E173-L176 HydrophobicContact CB-CD1 4.06Å; E173-L176 HydrophobicContact CB-CG 4.24Å; E173-L176 HydrophobicContact CG-CD1 4.44Å; E173-L176 PolarHBondContact O-N 3.29Å
174A83.3Confident78.3Confident60 Ų60108.7 Ų108.750%0.49659%0.586SS.*THydrogen-bonded Turntrans-64-22.2-174.200000113.4
175E80.6Confident77Confident184 Ų184113.1 Ų113.186%0.8661%0.608SS**THydrogen-bonded Turntrans-81.5-25.4-179.5-55.2-171.6-176.900112.8E173 V177E173-E175 PolarHBondContact O-N 3.49Å; E173-E175 VanDerWaalsContact O-N 3.14Å; E175-V177 VanDerWaalsContact C-N 3.35Å
176L76.5Confident75.7Confident113 Ų113115.4 Ų115.459%0.59262%0.622SS**THydrogen-bonded Turntrans-74.4-26.3176.3-64.7171.7000112.4E173 Q178E173-L176 HydrophobicContact CB-CD1 4.06Å; E173-L176 HydrophobicContact CB-CG 4.24Å; E173-L176 HydrophobicContact CG-CD1 4.44Å; E173-L176 PolarHBondContact O-N 3.29Å; L176-Q178 PolarHBondContact O-N 3.36Å
177V74.8Confident74.2Confident18 Ų18116.3 Ų116.311%0.10964%0.642CS.*SBendtrans-90.696.7-178.71780000110.5L166 H167 L172 E175 V179L166-V177 HydrophobicContact CB-CG1 4.16Å; L166-V177 HydrophobicContact CD2-CG1 3.66Å; L166-V177 HydrophobicContact CG-CG1 4.46Å; H167-V177 HydrophobicContact CB-CB 4.03Å; H167-V177 HydrophobicContact CB-CG2 3.69Å; L172-V177 HydrophobicContact CB-CG2 4.12Å; L172-V177 HydrophobicContact CD1-CG2 4.02Å; E175-V177 VanDerWaalsContact C-N 3.35Å; V177-V179 HydrophobicContact CG1-CG2 4.03Å; V177-V179 PolarHBondContact O-N 3.13Å
178Q72.8Confident72.7Confident164 Ų164120.1 Ų120.177%0.76667%0.668SS**  trans-67.895171.7-61.917914.100110L176 S180L176-Q178 PolarHBondContact O-N 3.36Å; Q178-S180 VanDerWaalsContact C-N 3.28Å
179V63.6Low71.1Confident126 Ų126116.6 Ų116.676%0.76467%0.671SS**  trans-75.1-18.4178.3-178.80000112.1V177 A181V177-V179 HydrophobicContact CG1-CG2 4.03Å; V177-V179 PolarHBondContact O-N 3.13Å; V179-A181 PolarHBondContact O-N 3.17Å
180S64.3Low69.5Low84 Ų84116.7 Ų116.759%0.58768%0.683SS**SBendtrans-63127.7164.849.70000110Q178Q178-S180 VanDerWaalsContact C-N 3.28Å
181A57.4Low67.5Low88 Ų88117.7 Ų117.773%0.72769%0.693SS**PPolyproline II helixtrans-52.9139.6170.500000110.2V179V179-A181 PolarHBondContact O-N 3.17Å
182P58.5Low65.4Low112 Ų112116.5 Ų116.573%0.72769%0.693SS**PPolyproline II helixtrans-58143.7177.925.2-34.2000109.9E184P182-E184 PolarHBondContact O-N 2.88Å
183A61.8Low63.3Low91 Ų91122.1 Ų122.175%0.75271%0.714SS**PPolyproline II helixtrans-53.6138.8-179.400000110.9L185A183-L185 PolarHBondContact O-N 2.98Å
184E64.4Low61.7Low196 Ų196123.7 Ų123.792%0.91672%0.722SS**  trans-49.4109.2-170-171.6172.4-167.500111.7P182P182-E184 PolarHBondContact O-N 2.88Å
185L62.2Low59.9Low144 Ų144129.5 Ų129.575%0.75474%0.739SS**  trans-62.4135.7-178.6-65.9177.6000109.4A183 A187A183-L185 PolarHBondContact O-N 2.98Å; L185-A187 PolarHBondContact O-N 2.99Å
186P61.6Low58.5Low109 Ų109126.3 Ų126.371%0.70873%0.731SS**  trans-59.9124.4-175.924.2-33.9000110.4V188P186-V188 VanDerWaalsContact C-N 3.35Å; P186-V188 PolarHBondContact O-N 3.33Å
187A57.6Low57Low102 Ų102125.5 Ų125.584%0.84373%0.733SS**  trans-67.486.7-174.200000112.1L185 S189L185-A187 PolarHBondContact O-N 2.99Å; A187-S189 PolarHBondContact O-N 3.13Å
188V57.4Low55.7Low123 Ų123134.1 Ų134.175%0.74577%0.769SS**  trans-67.696.6172.6-76.70000110.2P186 L190P186-V188 VanDerWaalsContact C-N 3.35Å; P186-V188 PolarHBondContact O-N 3.33Å; V188-L190 VanDerWaalsContact C-N 3.3Å; V188-L190 PolarHBondContact O-N 2.67Å
189S56.1Low54.7Low108 Ų108134.5 Ų134.576%0.75577%0.768SS**  trans-72.180.717950.10000111.5A187 T191A187-S189 PolarHBondContact O-N 3.13Å; S189-T191 PolarHBondContact O-N 2.6Å
190L53.2Low54.3Low159 Ų159133.7 Ų133.783%0.83277%0.766SS**  trans-59.1106.6168.4-64.2-178.1000109V188 P192V188-L190 VanDerWaalsContact C-N 3.3Å; V188-L190 PolarHBondContact O-N 2.67Å; L190-P192 WeakPolarHBondContact O-CD 3.36Å
191T46.9Very low54Low118 Ų118135.2 Ų135.272%0.72477%0.773SS**  trans-72.6121.2178.747.30000109S189 K193S189-T191 PolarHBondContact O-N 2.6Å; T191-K193 PolarHBondContact O-N 2.92Å
192P44.3Very low53.5Low127 Ų127137.1 Ų137.183%0.82578%0.778SS**  trans-72.997.6-177.528.4-33.7000109.7L190 Q194L190-P192 WeakPolarHBondContact O-CD 3.36Å; P192-Q194 PolarHBondContact O-N 3.12Å; P192-Q194 VanDerWaalsContact O-N 3.13Å
193K45.4Very low52.9Low199 Ų199137.3 Ų137.387%0.86578%0.782SS**  trans-67.7109.6165.7-83.6-170.3175.1-178.70108.9T191 E195T191-K193 PolarHBondContact O-N 2.92Å; K193-E195 PolarHBondContact O-N 3.32Å; K193-E195 VanDerWaalsContact O-N 3.09Å
194Q54.2Low52.3Low172 Ų172138.2 Ų138.280%0.80479%0.79SS**  trans-67.496-179.8177.4-155.8-48.900111.7P192 V196P192-Q194 PolarHBondContact O-N 3.12Å; P192-Q194 VanDerWaalsContact O-N 3.13Å; Q194-V196 HydrophobicContact CG-CG2 4.1Å
195E44.5Very low51.3Low183 Ų183133 Ų13386%0.85578%0.781SS**  trans-127.5133.8153-68.1-165.2175.600109.1K193K193-E195 PolarHBondContact O-N 3.32Å; K193-E195 VanDerWaalsContact O-N 3.09Å
196V50.1Low50.3Low117 Ų117136.7 Ų136.771%0.70979%0.791SS**  trans-127.294.1-162.7-150.70000111Q194 K198Q194-V196 HydrophobicContact CG-CG2 4.1Å; V196-K198 PolarHBondContact O-N 3.36Å
197P46.5Very low49.5Very low95 Ų95140.5 Ų140.562%0.61780%0.796SS**  trans-67.3119.7162.328-31.9000108.7F199P197-F199 HydrophobicContact CB-CE2 4.02Å; P197-F199 HydrophobicContact CG-CE2 3.95Å; P197-F199 WeakPolarHBondContact O-CD2 3.3Å; P197-F199 PolarHBondContact O-N 3.38Å; P197-F199 VanDerWaalsContact O-N 3.09Å
198K46.2Very low48.7Very low199 Ų199139.5 Ų139.587%0.86580%0.795SS**  trans-85.683.6-170.5-173.1171.4178172.40112.2V196V196-K198 PolarHBondContact O-N 3.36Å
199F51.5Low47.8Very low173 Ų173141.6 Ų141.676%0.75980%0.802SS**PPolyproline II helixtrans-68.8139.1169.4-66.9-79.5000111.9P197P197-F199 HydrophobicContact CB-CE2 4.02Å; P197-F199 HydrophobicContact CG-CE2 3.95Å; P197-F199 WeakPolarHBondContact O-CD2 3.3Å; P197-F199 PolarHBondContact O-N 3.38Å; P197-F199 VanDerWaalsContact O-N 3.09Å
200P55.4Low46.9Very low109 Ų109139.8 Ų139.871%0.70880%0.8SS**PPolyproline II helixtrans-73.2152.7170.831.6-34.2000111.1
201P58.5Low46.2Very low115 Ų115139.4 Ų139.475%0.74780%0.804SS**PPolyproline II helixtrans-71.2143.5-177.329.5-35.2000112.2S203P201-S203 PolarHBondContact O-N 3.24Å
202P47.3Very low45.9Very low128 Ų128137.2 Ų137.283%0.83181%0.805SS**PPolyproline II helixtrans-67.9128.4175.127.9-33.9000111.1A204P202-A204 PolarHBondContact O-N 3.13Å
203S45.6Very low45.7Very low116 Ų116141 Ų14181%0.81181%0.812SS**PPolyproline II helixtrans-63.7125.3178.3-68.90000111.8P201 A205P201-S203 PolarHBondContact O-N 3.24Å; S203-A205 PolarHBondContact O-N 3.15Å
204A50.2Low45.1Very low110 Ų110140.7 Ų140.791%0.90981%0.811SS**  trans-6993.7179.200000112.1P202P202-A204 PolarHBondContact O-N 3.13Å
205A41.7Very low44.5Very low88 Ų88138.7 Ų138.773%0.72781%0.812SS**  trans-112.99.6-178.200000114.7S203 K207S203-A205 PolarHBondContact O-N 3.15Å; A205-K207 PolarHBondContact O-N 3.06Å
206F42.9Very low44.1Very low220 Ų220134.6 Ų134.697%0.96581%0.81SS**  trans-71.693.6167.9-83.8-77.7000110.8
207K44.3Very low43.5Very low190 Ų190136.5 Ų136.583%0.82682%0.821SS**  trans-127.4107.4161.6-71.9-172.7179.1179.40108.6A205A205-K207 PolarHBondContact O-N 3.06Å
208G39.8Very low42.9Very low80 Ų80135.4 Ų135.483%0.82583%0.827SS**  trans-70.9141.6-176.300000113.1
209L39.6Very low42.6Very low168 Ų168133.4 Ų133.488%0.8883%0.826SS**  trans-118.1144.1146.8-72.186.7000106
210G36.4Very low42Very low69 Ų69132.8 Ų132.871%0.71183%0.83SS**  cis117.897.117.800000107.3G212G210-G212 PolarHBondContact O-N 3.06Å
211T39.5Very low41.2Very low151 Ų151132.8 Ų132.893%0.92683%0.833SS**SBendtrans-70.8124.8-165.346.10000113.3
212G39.3Very low40.2Very low72 Ų72136.2 Ų136.274%0.74284%0.839SS**  trans105.8111.315100000116.5G210G210-G212 PolarHBondContact O-N 3.06Å
213Q39.8Very low39.6Very low207 Ų207136.1 Ų136.197%0.96784%0.836SS**  trans-151.1164.6141.4-114.3169.921.800111.2
214K33.3Very low39.3Very low193 Ų193135.6 Ų135.684%0.83983%0.832SS**  trans-99.1145-164.9-167.6172.7-179.3175.10110.1
215P41.8Very low38.8Very low129 Ų129135.8 Ų135.884%0.83883%0.826SS**  trans-67.5149.1-169.326-36.4000113.8
216A35.4Very low38.5Very low98 Ų98137.7 Ų137.781%0.8183%0.829SS**  trans-126.3143.3169.200000109.4
217V38.5Very low38Very low156 Ų156131.7 Ų131.795%0.94582%0.82SS**  trans-85131.4-176.11790000110.4
218G33.2Very low37.7Very low72 Ų72129.2 Ų129.274%0.74282%0.82SS**  trans-156.3116.9172.600000110.5
219L41.6Very low37.5Very low158 Ų158131.9 Ų131.983%0.82781%0.809SS**  trans-71.5145.4175-70.4153.5000110.3
220N38.2Very low37.7Very low160 Ų160129.5 Ų129.586%0.85680%0.804SS**  -176126.2114.8-86.7-23.2000110.4
221S37.9Very low38.3Very low109 Ų109132.4 Ų132.476%0.76280%0.799SS**  trans-85.2132.3169.2179.30000109.8
222Q38.2Very low38.9Very low187 Ų187133.9 Ų133.987%0.87480%0.795SS**  trans-13191.4159.8-76.2-164.6-25.700109.4S224Q222-S224 PolarHBondContact O-N 3.39Å
223V35.3Very low39.4Very low126 Ų126139 Ų13976%0.76480%0.8SS**  trans-61.2125.7156.2340000108.2
224S39.3Very low40.2Very low104 Ų104135.9 Ų135.973%0.72779%0.785SS**  trans-126.285.1172.9179.10000109.2Q222 V226Q222-S224 PolarHBondContact O-N 3.39Å; S224-V226 PolarHBondContact O-N 2.71Å
225S39Very low41.3Very low114 Ų114133.2 Ų133.280%0.79778%0.776SS**  trans-67.4113.5172.153.20000110.5
226V36.1Very low41.9Very low129 Ų129129.3 Ų129.378%0.78276%0.759SS**  trans-120.5140.5164.4176.70000107.1S224S224-V226 PolarHBondContact O-N 2.71Å
227A31.7Very low43.4Very low93 Ų93128.3 Ų128.377%0.76974%0.74SS**PPolyproline II helixtrans-67.9142.8-170.800000112.5
228V37.7Very low45.1Very low139 Ų139126.2 Ų126.284%0.84272%0.72SS**PPolyproline II helixtrans-65.9134.1168.1176.70000109.1
229K35.2Very low47.3Very low135 Ų135128.9 Ų128.959%0.58771%0.713SS**PPolyproline II helixtrans-102.3129.3168.8-149.2178.5-176.9-86.30106.3E231K229-E231 VanDerWaalsContact C-N 3.32Å; K229-E231 IonicContact NZ-OE1 2.92Å; K229-E231 PolarHBondContact NZ-OE1 2.88Å; K229-E231 IonicContact NZ-OE2 3.64Å; K229-E231 PolarHBondContact NZ-OE2 2.82Å; K229-E231 PolarHBondContact O-N 2.97Å; K229-E231 VanDerWaalsContact O-N 3.13Å
230P44.9Very low49.1Very low119 Ų119126.1 Ų126.177%0.77370%0.699SS**SBendtrans-88.173.1-17934.9-33.7000110.5
231E49.1Very low51.3Low129 Ų129120.5 Ų120.560%0.60367%0.669SS**  trans-139.5144.8170.7-70.8163.5-156.900105K229K229-E231 VanDerWaalsContact C-N 3.32Å; K229-E231 IonicContact NZ-OE1 2.92Å; K229-E231 PolarHBondContact NZ-OE1 2.88Å; K229-E231 IonicContact NZ-OE2 3.64Å; K229-E231 PolarHBondContact NZ-OE2 2.82Å; K229-E231 PolarHBondContact O-N 2.97Å; K229-E231 VanDerWaalsContact O-N 3.13Å
232E52.5Low53.4Low182 Ų182122.5 Ų122.585%0.8567%0.666SS**SBendtrans82.140.7-167.4-51.8166.1-151.600115.8
233E49.2Very low55.4Low181 Ų181120.3 Ų120.385%0.84666%0.659SS**SBendtrans-123.739.6162.3-70.2-170.1171.600111.6
234E55.8Low57.5Low140 Ų140120 Ų12065%0.65465%0.653SS**SBendtrans-138.6-27.2178.9-160.3165.3-149.200112.4D237 E238E234-D237 VanDerWaalsContact C-OD1 3.25Å; E234-D237 WeakPolarHBondContact CA-OD1 3.37Å; E234-E238 WeakPolarHBondContact O-CG 3.19Å; E234-E238 PolarHBondContact O-N 3.02Å
235E56.7Low59.3Low138 Ų138117.8 Ų117.865%0.64565%0.646SS**Hα-helixtrans-72.9-32.4-179.3-169.4170-151.200113E239E235-E239 PolarHBondContact O-N 3.04Å; E235-E239 VanDerWaalsContact O-N 3.13Å
236G54.8Low61.1Low47 Ų47117 Ų11749%0.48563%0.633SS.*Hα-helixtrans-77.5-24.6-17800000114.4L240G236-L240 WeakPolarHBondContact O-CG 2.96Å
237D66.9Low62.8Low76 Ų76118.7 Ų118.741%0.40663%0.632SS.*Hα-helixtrans-89.3-27.9172.845.1-58.4000112.3E234 L240 D241E234-D237 VanDerWaalsContact C-OD1 3.25Å; E234-D237 WeakPolarHBondContact CA-OD1 3.37Å; D237-L240 PolarHBondContact O-N 3Å; D237-D241 PolarHBondContact O-N 2.96Å
238E73.7Confident64.6Low112 Ų112120.6 Ų120.652%0.52362%0.623SS.*Hα-helixtrans-62.5-43.2164.8-76.9-173162.400112.6E234 L240 D241 E242E234-E238 WeakPolarHBondContact O-CG 3.19Å; E234-E238 PolarHBondContact O-N 3.02Å; E238-L240 VanDerWaalsContact C-N 3.27Å; E238-L240 PolarHBondContact O-N 3.35Å; E238-D241 PolarHBondContact O-N 2.95Å; E238-E242 PolarHBondContact O-N 3.09Å
239E78.8Confident64.8Low129 Ų129120.4 Ų120.460%0.60362%0.624SS**Hα-helixtrans-59.2-37.5172.5-77.5-166.2164.900112.2E235 L243E235-E239 PolarHBondContact O-N 3.04Å; E235-E239 VanDerWaalsContact O-N 3.13Å; E239-L243 WeakPolarHBondContact O-CB 3.42Å; E239-L243 VanDerWaalsContact O-CG 3.22Å; E239-L243 WeakPolarHBondContact O-CG 3.5Å; E239-L243 PolarHBondContact O-N 3.47Å
240L79.7Confident65.1Low100 Ų100117.1 Ų117.152%0.52463%0.629SS.*Hα-helixtrans-73.3-39.9178.1-73.8171.1000112.5G236 D237 E238 E242 L243 L244G236-L240 WeakPolarHBondContact O-CG 2.96Å; D237-L240 PolarHBondContact O-N 3Å; E238-L240 VanDerWaalsContact C-N 3.27Å; E238-L240 PolarHBondContact O-N 3.35Å; L240-E242 VanDerWaalsContact C-N 3.32Å; L240-E242 PolarHBondContact O-N 3.46Å; L240-L243 PolarHBondContact O-N 3.1Å; L240-L244 VanDerWaalsContact O-CB 3.3Å; L240-L244 WeakPolarHBondContact O-CB 3.45Å; L240-L244 WeakPolarHBondContact O-CG 3.41Å; L240-L244 PolarHBondContact O-N 2.91Å
241D84.4Confident65.1Low42 Ų42117.2 Ų117.223%0.22563%0.632CS.*Hα-helixtrans-61.7-39.9173.4-86.6-17.9000111.1D237 E238 G245 L246 K248D237-D241 PolarHBondContact O-N 2.96Å; E238-D241 PolarHBondContact O-N 2.95Å; D241-G245 CarbonylContact O-C 3.51Å; D241-G245 PolarHBondContact O-N 2.65Å; D241-L246 HydrophobicContact CB-CB 4.41Å; D241-L246 PolarHBondContact O-N 3.44Å; D241-K248 WeakPolarHBondContact OD2-CE 3.46Å; D241-K248 IonicContact OD2-NZ 2.97Å; D241-K248 PolarHBondContact OD2-NZ 3.01Å
242E82.6Confident64.6Low151 Ų151118.8 Ų118.871%0.70665%0.645SS**Hα-helixtrans-67.5-46.3174.6-173.6168.1-154.300112E238 L240 L244 G245E238-E242 PolarHBondContact O-N 3.09Å; L240-E242 VanDerWaalsContact C-N 3.32Å; L240-E242 PolarHBondContact O-N 3.46Å; E242-L244 VanDerWaalsContact C-N 3.25Å; E242-L244 PolarHBondContact O-N 3.06Å; E242-G245 PolarHBondContact O-N 2.95Å
243L80.4Confident64Low141 Ų141117.8 Ų117.874%0.73865%0.645SS**Hα-helixtrans-61.2-31.1177.2-77.3169.7000113.6E239 L240E239-L243 WeakPolarHBondContact O-CB 3.42Å; E239-L243 VanDerWaalsContact O-CG 3.22Å; E239-L243 WeakPolarHBondContact O-CG 3.5Å; E239-L243 PolarHBondContact O-N 3.47Å; L240-L243 PolarHBondContact O-N 3.1Å
244L78.1Confident63.5Low119 Ų119113.3 Ų113.362%0.62364%0.639SS**THydrogen-bonded Turntrans-90.8-4.8177.3-64.8171.3000113.1L240 E242 L246L240-L244 VanDerWaalsContact O-CB 3.3Å; L240-L244 WeakPolarHBondContact O-CB 3.45Å; L240-L244 WeakPolarHBondContact O-CG 3.41Å; L240-L244 PolarHBondContact O-N 2.91Å; E242-L244 VanDerWaalsContact C-N 3.25Å; E242-L244 PolarHBondContact O-N 3.06Å; L244-L246 HydrophobicContact CB-CD1 3.79Å; L244-L246 HydrophobicContact CB-CG 3.72Å; L244-L246 HydrophobicContact CD1-CD1 3.92Å; L244-L246 PolarHBondContact O-N 3.46Å
245G78.1Confident63Low57 Ų57110.3 Ų110.359%0.58865%0.646SS**THydrogen-bonded Turntrans68.518.9-176.600000114.2D241 E242 Q247D241-G245 CarbonylContact O-C 3.51Å; D241-G245 PolarHBondContact O-N 2.65Å; E242-G245 PolarHBondContact O-N 2.95Å; G245-Q247 PolarHBondContact O-N 3.44Å
246L75.9Confident62.2Low98 Ų98113.2 Ų113.251%0.51366%0.659SS.*  trans-82.149.6-176-61.9177.3000111.9D241 L244 K248D241-L246 HydrophobicContact CB-CB 4.41Å; D241-L246 PolarHBondContact O-N 3.44Å; L244-L246 HydrophobicContact CB-CD1 3.79Å; L244-L246 HydrophobicContact CB-CG 3.72Å; L244-L246 HydrophobicContact CD1-CD1 3.92Å; L244-L246 PolarHBondContact O-N 3.46Å; L246-K248 PolarHBondContact O-N 2.77Å
247Q73.6Confident61.8Low165 Ų165120 Ų12077%0.77168%0.678SS**  trans-60.4114176.4-71.7-163.2-16.400110.7G245 P249G245-Q247 PolarHBondContact O-N 3.44Å; Q247-P249 WeakPolarHBondContact O-CD 3.42Å
248K68.6Low60.4Low133 Ų133124.8 Ų124.858%0.57870%0.703SS**  trans-53115.4173.2-67.2152-174.7151.40108.2D241 L246 G250D241-K248 WeakPolarHBondContact OD2-CE 3.46Å; D241-K248 IonicContact OD2-NZ 2.97Å; D241-K248 PolarHBondContact OD2-NZ 3.01Å; L246-K248 PolarHBondContact O-N 2.77Å; K248-G250 PolarHBondContact O-N 3.44Å; K248-G250 VanDerWaalsContact O-N 3.09Å
249P42.6Very low58.6Low134 Ų134125 Ų12587%0.8772%0.716SS**PPolyproline II helixtrans-61118.9179.224-32.4000108.7Q247Q247-P249 WeakPolarHBondContact O-CD 3.42Å
250G40.9Very low56.3Low66 Ų66125.2 Ų125.268%0.6873%0.731SS**PPolyproline II helixtrans-68.3152.5-149.500000116.4K248K248-G250 PolarHBondContact O-N 3.44Å; K248-G250 VanDerWaalsContact O-N 3.09Å
251S44.8Very low54.1Low121 Ų121125.4 Ų125.485%0.84674%0.741SS**PPolyproline II helixtrans-71.4135.2159.253.90000110.6
252D39.2Very low52Low163 Ų163129.5 Ų129.587%0.87277%0.77SS**PPolyproline II helixtrans-67.2134.4-168.7-47-99.5000115.4
253D39.1Very low49.4Very low160 Ų160129 Ų12986%0.85677%0.772SS**  -168.5170.2112.8-166.921.8000111.2
254A39.7Very low47.6Very low87 Ų87130.5 Ų130.572%0.71978%0.775SS**  trans5963164.100000116.9
255G44.6Very low45.4Very low77 Ų77132.8 Ų132.879%0.79478%0.782SS**  trans-76.3158.1-178.200000116.9
256H39.1Very low43.3Very low200 Ų200140.6 Ų140.693%0.92679%0.794SS**  trans-122.4137.5158.9-96.5-50.8000110.9
257Q46.9Very low41.1Very low189 Ų189147.2 Ų147.288%0.88381%0.813SS**  trans-80.5118.6-176.5-59.9166.833.700111.4
258L38.5Very low39.2Very low176 Ų176144.7 Ų144.792%0.92181%0.813SS**  trans-142.978.9156.9-76.9-177.1000110.3
259S34.9Very low37.7Very low116 Ų116144.6 Ų144.681%0.81183%0.826SS**  trans-78.8120.8171.156.20000111.1
260C30.5Very low37Very low134 Ų134145.7 Ų145.791%0.90582%0.819SS**  trans-121.5104.4164.6-1360000108.7
261S32.8Very low36.6Very low105 Ų105150.4 Ų150.473%0.73482%0.821SS**  trans-69.2150-178-58.90000111.8
262P40.7Very low35.6Very low128 Ų128148.1 Ų148.183%0.83182%0.817SS**  trans-68.8148.8175.630.5-35.8000111.2
263N27.8Very low35Very low140 Ų140149.4 Ų149.475%0.74982%0.815SS**  trans-145.596.3164.4-170.332.2000110.7
264E42.5Very low34.5Very low173 Ų173150.7 Ų150.781%0.80882%0.816SS**  trans-83.2116.4153.5-79.5-153174.900108.5
265E31.6Very low33.9Very low166 Ų166155 Ų15578%0.77682%0.822SS**  trans-135.6120153.3-160.2179.418000110.2
266R35.2Very low33.2Very low221 Ų221157.7 Ų157.783%0.83482%0.822SS**  trans-74.5139179.2-59174-178.2-176.1-1.4109.6
267R28.9Very low32.8Very low238 Ų238155.9 Ų155.990%0.89881%0.812SS**  trans-144.5111.2166.4-144.8172.7-168161.56.9114
268S35.2Very low31.9Very low112 Ų112154.1 Ų154.178%0.78380%0.803SS**  trans-67.9158164.6-37.20000111.1
269P35.7Very low31.5Very low131 Ų131152.8 Ų152.885%0.85180%0.802SS**  trans-124.9168.2135.736.4-29.3000112.5
270E29.2Very low31.3Very low156 Ų156151.8 Ų151.873%0.72980%0.801SS**  trans-115.5154.6-167.8-147.8-162.2135.300112
271K30.9Very low31.4Very low165 Ų165151 Ų15172%0.71780%0.797SS**  trans60.4126.3161.5-77.7-173.917584.70120.8
272G25Very low31.4Very low74 Ų74155.3 Ų155.376%0.76381%0.805SS**  trans-150.5152151.300000108.5
273F25.9Very low31Very low189 Ų189156.5 Ų156.583%0.82980%0.8SS**  trans-126.9-178.3-173.5-103-96.2000111.6
274E28.8Very low31.3Very low188 Ų188157.3 Ų157.388%0.87980%0.797SS**  trans81.3140.2-178.4-53.9-177.7160.400114.7
275E26.9Very low31.1Very low178 Ų178153.2 Ų153.283%0.83279%0.792SS**  cis169.3177.5-29171.4162.516700104.6
276V30.6Very low31.4Very low132 Ų132152.8 Ų152.880%0.880%0.795SS**  trans87.8128.5173.5-177.70000114.8
277K29.2Very low31.4Very low163 Ų163149.1 Ų149.171%0.70979%0.792SS**  cis-167.5130.5-14.9172162.6-177.5173.60112.4
278E28.3Very low32.1Very low152 Ų152146.6 Ų146.671%0.7179%0.79SS**  trans29.3119.3141.8-175.8-172.4-135.900121.3
279V31.7Very low32.3Very low148 Ų148148.9 Ų148.990%0.89779%0.793SS**  -147.7145.5116.9-178.30000107.8
280A29.1Very low32.6Very low94 Ų94149.2 Ų149.278%0.77779%0.792SS**  trans-125.8162.5-176.800000113.7
281S32.6Very low33.1Very low119 Ų119146.1 Ų146.183%0.83279%0.794SS**  trans-151.9120.3161.361.30000111.3
282E32.9Very low33.6Very low194 Ų194144.3 Ų144.391%0.90780%0.799SS**  trans-70.6171.3171.2-60.2159.2117.600110.5
283E33.5Very low34.6Very low153 Ų153146.8 Ų146.872%0.71580%0.802SS**  cis-156.6148.313.9-147.6-161.2154.700105
284K34.5Very low35Very low158 Ų158147.4 Ų147.469%0.68780%0.804SS**  cis-159.1167.647.3-80175.7-179.91690108.7
285A36.7Very low35.9Very low86 Ų86143.6 Ų143.671%0.71181%0.805SS**  60.9124.952.100000114.3
286L37.9Very low36.6Very low158 Ų158139.1 Ų139.183%0.82780%0.798SS**  cis-128.4176.68.5-63.5162.1000109.1
287D36.4Very low37.6Very low144 Ų144140.1 Ų140.177%0.7779%0.794SS**  cis-151.1175.210.3-138-25.4000110.3
288E43.1Very low38.3Very low185 Ų185138.2 Ų138.286%0.86480%0.796SS**  trans-82.5144.8-174.7-60.6-170.3145.600115.9
289D39.2Very low39.6Very low160 Ų160138.2 Ų138.286%0.85679%0.793SS**  -160.2148.2128.3-145.7-23000111.1
290V43Very low41.4Very low137 Ų137138.9 Ų138.983%0.8379%0.786SS**  trans-141.2109.2-174.5179.30000113
291A38.1Very low43.2Very low92 Ų92138.5 Ų138.576%0.7678%0.784SS**  trans-147.7150.4161.700000111.5
292P42Very low45.2Very low126 Ų126139.4 Ų139.482%0.81878%0.776SS**  trans-99.3-177.4-157.143-39.1000113.9
293P46.2Very low47.6Very low127 Ų127133.8 Ų133.883%0.82576%0.755SS**  trans-81.4151.3-133.733.5-38.8000115.3
294K34.4Very low50.1Low202 Ų202134.1 Ų134.188%0.87876%0.757SS**  trans-102.8115.9160-111.3178.5178.8176.70110.1A296K294-A296 PolarHBondContact O-N 3.01Å
295A47.5Very low52.7Low108 Ų108133.5 Ų133.589%0.89376%0.757SS**  trans-65.6128.4161.200000108.9
296A42.5Very low55.5Low84 Ų84133 Ų13369%0.69474%0.742SS**  trans-135.8113.5169.100000107K294 V298K294-A296 PolarHBondContact O-N 3.01Å; A296-V298 PolarHBondContact O-N 2.82Å
297E50.3Low58.1Low153 Ų153129.7 Ų129.772%0.71573%0.725SS**  trans-69.5101.8176.8-60.9-178136.600109.2K299E297-K299 HydrophobicContact CB-CG 4.44Å; E297-K299 PolarHBondContact O-N 3.1Å; E297-K299 IonicContact OE1-NZ 3.62Å; E297-K299 PolarHBondContact OE1-NZ 3.4Å; E297-K299 WeakPolarHBondContact OE2-CE 3.29Å; E297-K299 IonicContact OE2-NZ 2.75Å; E297-K299 PolarHBondContact OE2-NZ 2.95Å
298V44.7Very low60.7Low122 Ų122128.6 Ų128.674%0.73972%0.715SS**  trans-77.674.9163.5-173.40000107.7A296 E300A296-V298 PolarHBondContact O-N 2.82Å; V298-E300 HydrophobicContact CG1-CB 4.22Å; V298-E300 PolarHBondContact O-N 3.25Å
299K54.7Low63.2Low153 Ų153125.1 Ų125.167%0.66570%0.702SS**  trans-7379.1158.3-76.4168.9-178.2147.70106.4E297 A301E297-K299 HydrophobicContact CB-CG 4.44Å; E297-K299 PolarHBondContact O-N 3.1Å; E297-K299 IonicContact OE1-NZ 3.62Å; E297-K299 PolarHBondContact OE1-NZ 3.4Å; E297-K299 WeakPolarHBondContact OE2-CE 3.29Å; E297-K299 IonicContact OE2-NZ 2.75Å; E297-K299 PolarHBondContact OE2-NZ 2.95Å; K299-A301 PolarHBondContact O-N 3.22Å
300E70Confident65.8Low161 Ų161124.8 Ų124.875%0.75269%0.689SS**  trans-60.2108.5174.3-168.2143.9-130.100107.9V298 M302V298-E300 HydrophobicContact CG1-CB 4.22Å; V298-E300 PolarHBondContact O-N 3.25Å; E300-M302 VanDerWaalsContact C-N 3.32Å; E300-M302 PolarHBondContact O-N 2.92Å
301A66.2Low68.2Low87 Ų87122.3 Ų122.372%0.71967%0.671SS**  trans-79.388.1179.600000107.8K299 T303K299-A301 PolarHBondContact O-N 3.22Å; A301-T303 PolarHBondContact O-N 2.97Å; A301-T303 VanDerWaalsContact O-N 3.13Å
302M76.1Confident70.8Confident138 Ų138123.2 Ų123.268%0.6866%0.663SS**  trans-40.6119.1172-72.5172.4150.900109.6E300E300-M302 VanDerWaalsContact C-N 3.32Å; E300-M302 PolarHBondContact O-N 2.92Å
303T83.1Confident73.1Confident75 Ų75121.8 Ų121.846%0.4666%0.656SS.*  trans-83.1166179.757.90000109.9A301 E305 D306 L307A301-T303 PolarHBondContact O-N 2.97Å; A301-T303 VanDerWaalsContact O-N 3.13Å; T303-E305 PolarHBondContact O-N 2.71Å; T303-D306 PolarHBondContact O-N 3.02Å; T303-D306 WeakPolarHBondContact OG1-CB 3.21Å; T303-D306 PolarHBondContact OG1-N 3.47Å; T303-D306 VanDerWaalsContact OG1-N 3.12Å; T303-L307 PolarHBondContact O-N 2.96Å
304E86.2Confident75.2Confident160 Ų160121.7 Ų121.775%0.74865%0.646SS**Hα-helixtrans-59.9-35.1171.5-161.9163.8-16900110.5L307 E308E304-L307 PolarHBondContact O-N 2.99Å; E304-E308 WeakPolarHBondContact O-CG 3.44Å; E304-E308 PolarHBondContact O-N 3.08Å
305E89.4Confident77.6Confident146 Ų146118.4 Ų118.468%0.68264%0.637SS**Hα-helixtrans-66.2-42.2175.9-59.2171.9168.200112.9T303 L307 E308 D309T303-E305 PolarHBondContact O-N 2.71Å; E305-L307 VanDerWaalsContact C-N 3.27Å; E305-L307 PolarHBondContact O-N 3.28Å; E305-E308 PolarHBondContact O-N 2.72Å; E305-E308 VanDerWaalsContact O-N 3.15Å; E305-D309 PolarHBondContact O-N 3.38Å
306D94.2Very high78.8Confident75 Ų75121.2 Ų121.240%0.40165%0.649SS.*Hα-helixtrans-65.7-29.9176.6-175.761.2000112.2T303 W310T303-D306 PolarHBondContact O-N 3.02Å; T303-D306 WeakPolarHBondContact OG1-CB 3.21Å; T303-D306 PolarHBondContact OG1-N 3.47Å; T303-D306 VanDerWaalsContact OG1-N 3.12Å; D306-W310 WeakPolarHBondContact O-CB 3.45Å; D306-W310 PolarHBondContact O-N 3.42Å
307L92.2Very high80.6Confident89 Ų89123.1 Ų123.147%0.46665%0.647SS.*Hα-helixtrans-75.9-33.8171.7-67.7169.7000112.7T303 E304 E305 L311T303-L307 PolarHBondContact O-N 2.96Å; E304-L307 PolarHBondContact O-N 2.99Å; E305-L307 VanDerWaalsContact C-N 3.27Å; E305-L307 PolarHBondContact O-N 3.28Å; L307-L311 VanDerWaalsContact O-CG 3.28Å; L307-L311 WeakPolarHBondContact O-CG 3.45Å; L307-L311 PolarHBondContact O-N 3.31Å; L307-L311 VanDerWaalsContact O-N 3.16Å
308E91.9Very high82.2Confident120 Ų120121.5 Ų121.556%0.56164%0.643SS**Hα-helixtrans-66.5-47.2172.6-73.8-178.4174.600111.2E304 E305 W310 L311 D312E304-E308 WeakPolarHBondContact O-CG 3.44Å; E304-E308 PolarHBondContact O-N 3.08Å; E305-E308 PolarHBondContact O-N 2.72Å; E305-E308 VanDerWaalsContact O-N 3.15Å; E308-W310 VanDerWaalsContact C-N 3.29Å; E308-W310 PolarHBondContact O-N 2.86Å; E308-L311 PolarHBondContact O-N 3.09Å; E308-L311 VanDerWaalsContact O-N 3.1Å; E308-D312 PolarHBondContact O-N 2.83Å
309D94.8Very high84.2Confident113 Ų113121.4 Ų121.460%0.60464%0.638SS**Hα-helixtrans-60.6-35.4176.5-83.4-17.1000112.4E305 S313E305-D309 PolarHBondContact O-N 3.38Å; D309-S313 WeakPolarHBondContact O-CB 3.36Å; D309-S313 PolarHBondContact O-N 3.01Å; D309-S313 VanDerWaalsContact O-N 3.11Å; D309-S313 PolarHBondContact O-OG 3.07Å
310W94.8Very high86Confident153 Ų153119.6 Ų119.658%0.5864%0.637SS**Hα-helixtrans-68.7-36.8174-177.480000113.1D306 E308 S313 M314D306-W310 WeakPolarHBondContact O-CB 3.45Å; D306-W310 PolarHBondContact O-N 3.42Å; E308-W310 VanDerWaalsContact C-N 3.29Å; E308-W310 PolarHBondContact O-N 2.86Å; W310-S313 PolarHBondContact O-N 2.81Å; W310-M314 HydrophobicContact CH2-CE 3.35Å; W310-M314 HydrophobicContact CZ2-CE 3.37Å; W310-M314 HydrophobicContact CZ3-CE 4.02Å; W310-M314 PolarHBondContact O-N 3.1Å
311L93.3Very high87Confident85 Ų85117 Ų11745%0.44563%0.629SS.*Hα-helixtrans-69.3-45.8177.1-73.7168.5000111.6L307 E308 S313 M314 I315L307-L311 VanDerWaalsContact O-CG 3.28Å; L307-L311 WeakPolarHBondContact O-CG 3.45Å; L307-L311 PolarHBondContact O-N 3.31Å; L307-L311 VanDerWaalsContact O-N 3.16Å; E308-L311 PolarHBondContact O-N 3.09Å; E308-L311 VanDerWaalsContact O-N 3.1Å; L311-S313 PolarHBondContact O-N 3.07Å; L311-M314 WeakPolarHBondContact O-CB 3.26Å; L311-M314 PolarHBondContact O-N 2.81Å; L311-I315 WeakPolarHBondContact O-CD1 3.41Å; L311-I315 WeakPolarHBondContact O-CG1 3.11Å; L311-I315 PolarHBondContact O-N 3.18Å
312D92.8Very high88.4Confident111 Ų111119 Ų11959%0.59462%0.623SS**Hα-helixtrans-61.9-34.5175.5-93.516.4000111.6E308 M314 I315 S316E308-D312 PolarHBondContact O-N 2.83Å; D312-M314 VanDerWaalsContact C-N 3.26Å; D312-M314 PolarHBondContact O-N 2.75Å; D312-I315 PolarHBondContact O-N 2.93Å; D312-S316 PolarHBondContact O-N 2.74Å; D312-S316 PolarHBondContact O-OG 3.35Å
313S90.9Very high89.3Confident96 Ų96117.6 Ų117.667%0.67162%0.619SS**Hα-helixtrans-67.5-19.2173-61.60000114.4D309 W310 L311D309-S313 WeakPolarHBondContact O-CB 3.36Å; D309-S313 PolarHBondContact O-N 3.01Å; D309-S313 VanDerWaalsContact O-N 3.11Å; D309-S313 PolarHBondContact O-OG 3.07Å; W310-S313 PolarHBondContact O-N 2.81Å; L311-S313 PolarHBondContact O-N 3.07Å
314M89.7Confident89.7Confident124 Ų124120.9 Ų120.961%0.61163%0.632SS**Hα-helixtrans-91.9-21.9176.1-176.4174.5-6600113.1W310 L311 D312W310-M314 HydrophobicContact CH2-CE 3.35Å; W310-M314 HydrophobicContact CZ2-CE 3.37Å; W310-M314 HydrophobicContact CZ3-CE 4.02Å; W310-M314 PolarHBondContact O-N 3.1Å; L311-M314 WeakPolarHBondContact O-CB 3.26Å; L311-M314 PolarHBondContact O-N 2.81Å; D312-M314 VanDerWaalsContact C-N 3.26Å; D312-M314 PolarHBondContact O-N 2.75Å
315I85.4Confident90Very high134 Ų134117.7 Ų117.769%0.68762%0.622SS**Hα-helixtrans-97.3-10.8-171.8-64.6165.9000112.4L311 D312L311-I315 WeakPolarHBondContact O-CD1 3.41Å; L311-I315 WeakPolarHBondContact O-CG1 3.11Å; L311-I315 PolarHBondContact O-N 3.18Å; D312-I315 PolarHBondContact O-N 2.93Å
316S71.1Confident90.1Very high166 Ų166115.1 Ų115.1100%1.16162%0.616SS**  trans-84.40-176-63.20000115.4D312D312-S316 PolarHBondContact O-N 2.74Å; D312-S316 PolarHBondContact O-OG 3.35Å

Retrieved 316 of 316 residues in 122.4 ms (Link to these results)