A0A087XJ03_POEFO Loading...

Limb and CNS expressed 1 like

AlphaFold DB (A0A3B3V354), UniProt , Accession A0A087XJ03, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 357 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
1M33.7Very low32.2Very low242 Ų242154.8 Ų154.8100%1.19281%0.809SS**  0124.20-95.4156.2170.300107.1
2E29.3Very low33Very low182 Ų182151 Ų15185%0.8580%0.801SS**  trans-48.6155.8176.1-63.1138.1116.800111.3
3S31.8Very low32.3Very low105 Ų105151.9 Ų151.973%0.73480%0.798SS**  -176.9126.755.242.20000108.4
4N31.6Very low31.8Very low144 Ų144155.9 Ų155.977%0.7780%0.796SS**  63.9140.299.9-80.2-14.1000115.8
5I34.1Very low31.4Very low126 Ų126155.1 Ų155.165%0.64679%0.794SS**  cis-169.3138.46-99156.6000108.8
6I33.9Very low31Very low135 Ų135156.8 Ų156.869%0.69280%0.797SS**  trans16.1151.7133.4-22.2175.1000117.4
7P42.3Very low31.5Very low116 Ų116154.2 Ų154.275%0.75379%0.794SS**  cis-15616038.144.6-20.6000124.1
8D30.4Very low31.1Very low141 Ų141149.1 Ų149.175%0.75479%0.785SS**  trans44.8132.2135.8-80.2-63.4000127.4
9S29.9Very low30.8Very low106 Ų106150.3 Ų150.374%0.74179%0.79SS**  74.3113.2127.4-161.10000121.1
10I29.8Very low30.5Very low173 Ų173145.6 Ų145.689%0.88778%0.78SS**  trans-137.9120.1162-62.1177.2000111.1
11R27.9Very low30.4Very low233 Ų233148.8 Ų148.888%0.87979%0.787SS**  trans-165164.6149.3-103-166.3-172.4-176.64.1107.2
12P41.1Very low30Very low109 Ų109140.6 Ų140.671%0.70877%0.765SS**  cis-133.9-167-44.635-15.1000111.6
13Q24.6Very low30Very low163 Ų163138.2 Ų138.276%0.76277%0.768SS**  trans101.2112.9155.5-68.5-120.2-9.300121.5
14R24.9Very low29.8Very low207 Ų207136.7 Ų136.778%0.78177%0.77SS**  74.5143.1120.5-133.5-173.5-147-153.63.1122.3
15L26.2Very low30.2Very low145 Ų145135.7 Ų135.776%0.75977%0.771SS**  trans94.6102.5155.5-61.8163.4000118.9
16Q25.2Very low30.1Very low181 Ų181136.6 Ų136.685%0.84678%0.783SS**  25.9165.8111.1-110.7-159.145.300120.5
17P38.4Very low30Very low113 Ų113133.7 Ų133.773%0.73479%0.785SS**  -127.6174.2-78.635.9-15.9000113.7
18G24.5Very low29.4Very low62 Ų62133.9 Ų133.964%0.63979%0.785SS**  trans119.7141.9149.100000118.9
19I25.9Very low29.4Very low172 Ų172133.9 Ų133.988%0.88278%0.784SS**  trans63.8131.9153.6-61.8130.3000115.3
20G25.6Very low29.4Very low57 Ų57139 Ų13959%0.58879%0.787SS**  cis152.9-179.120.800000106.8
21F27Very low29.3Very low212 Ų212136 Ų13693%0.9378%0.782SS**  trans78.4138.2178.2-56-82.4000116.3
22G25.4Very low29.2Very low71 Ų71130.5 Ų130.573%0.73278%0.779SS**  cis-169.8172.51.400000104.7
23S29.2Very low28.6Very low131 Ų131130.9 Ų130.992%0.91678%0.784SS**  cis174.7152.235.251.20000107.8
24G29.1Very low28.8Very low74 Ų74130.8 Ų130.876%0.76379%0.788SS**  trans110.3145.4148.300000119.4
25P39.4Very low29.2Very low123 Ų123132.5 Ų132.580%0.79980%0.795SS**  -132.3163.8-129.838.1-20.8000115.3
26T32.6Very low29.7Very low145 Ų145131.1 Ų131.189%0.8979%0.794SS**  trans174.1106.1140.1270000108.8
27G30.3Very low29.8Very low73 Ų73125.9 Ų125.975%0.75379%0.788SS**  99.514210600000110.3
28T31.1Very low29.4Very low121 Ų121127.6 Ų127.674%0.74280%0.797SS**  cis-172128.62.7-590000104.8
29L28.6Very low29.6Very low141 Ų141130.6 Ų130.674%0.73880%0.803SS**  trans51.1138.1144.8-58.6176.4000119.9
30R29.9Very low29.8Very low212 Ų212128 Ų12880%0.879%0.794SS**  cis-166.8128.123.8-99.7150.5178.5-168.81.1104.9
31S27.6Very low30.1Very low112 Ų112131.6 Ų131.678%0.78381%0.808SS**  53.7120.582.8-58.60000115.2
32S26.6Very low30.2Very low116 Ų116127.7 Ų127.781%0.81180%0.801SS**  trans133.291.7134.163.50000120.7
33S28.9Very low30.3Very low118 Ų118128.5 Ų128.583%0.82580%0.8SS**  119.8130.5121.9-153.20000119.3
34L28.9Very low30.5Very low160 Ų160128.2 Ų128.284%0.83880%0.795SS**  trans-75.3153.6171.4-64.9140.5000112.1
35R32.8Very low30.6Very low244 Ų244132.8 Ų132.892%0.92180%0.802SS**  177.6165.9115.4-99.6-146.3170.7-158.2-0.1113.5
36P36.8Very low30.3Very low116 Ų116135.1 Ų135.175%0.75381%0.806SS**  trans-126.9176.6-138.243.9-30.5000115.9
37G27Very low30.2Very low70 Ų70133.5 Ų133.572%0.72280%0.799SS**  trans125.8120.114200000116.5
38V30Very low30.2Very low150 Ų150135.6 Ų135.691%0.90980%0.801SS**  trans-158.2139.1130.8174.70000108.2
39T29Very low30.2Very low124 Ų124135.8 Ų135.876%0.76181%0.805SS**  trans-97.3133.9-169.536.30000115
40V30.3Very low30.3Very low117 Ų117133.2 Ų133.271%0.70980%0.804SS**  trans41.2151143.7-116.80000122.6V42V40-V42 HydrophobicContact CG1-CG2 3.95Å
41P32Very low30.1Very low133 Ų133128.2 Ų128.286%0.86480%0.802SS**  -135163.16427.5-4.7000117.6
42V28.9Very low30.1Very low131 Ų131131.3 Ų131.379%0.79481%0.808SS**  trans-92.8130.2-178.1159.40000110.3V40V40-V42 HydrophobicContact CG1-CG2 3.95Å
43A27.2Very low30.3Very low87 Ų87130.8 Ų130.872%0.71981%0.805SS**  143.4165.79600000107.7
44P33.4Very low30.4Very low125 Ų125130 Ų13081%0.81281%0.806SS**  cis-131.3171.515.634.1-12.4000116.9
45L32.1Very low30.5Very low171 Ų171127.9 Ų127.990%0.89580%0.804SS**  trans-54.8135.2179.5-64.8148.2000115.1
46L31.6Very low30.5Very low171 Ų171121.8 Ų121.890%0.89580%0.799SS**  trans-150.4150.3154.4-95.6158.7000108.9
47P31.9Very low30.1Very low112 Ų112119 Ų11973%0.72779%0.791SS**PPolyproline II helixtrans-80.4148.3-150.130.8-35.7000114.9
48S30.1Very low30.5Very low116 Ų116118.8 Ų118.881%0.81178%0.777SS**PPolyproline II helixtrans-53.9132.5171.7-50.30000112.4
49P30.4Very low30.6Very low125 Ų125115 Ų11581%0.81276%0.756SS**PPolyproline II helixtrans-78.5132.6155.229.4-23.8000108.6
50A30.1Very low30.7Very low87 Ų87112.8 Ų112.872%0.71974%0.743SS**PPolyproline II helixtrans-50.9142.2179.300000112.2L52A50-L52 PolarHBondContact O-N 2.68Å
51S26.9Very low31Very low108 Ų108109 Ų10976%0.75572%0.721SS**  trans-29.1112.6161.421.60000112.5S53S51-S53 PolarHBondContact O-N 3.23Å
52L27.5Very low31Very low176 Ų176104.1 Ų104.192%0.92169%0.689SS**  trans-59.391.1162.1-70.4166.9000107.7A50 A54A50-L52 PolarHBondContact O-N 2.68Å; L52-A54 PolarHBondContact O-N 2.95Å; L52-A54 VanDerWaalsContact O-N 3.16Å
53S30.3Very low31.1Very low106 Ų106101.9 Ų101.974%0.74168%0.677SS**  trans-61.5115.2161.9-68.50000106.1S51 S55S51-S53 PolarHBondContact O-N 3.23Å; S53-S55 VanDerWaalsContact C-N 3.33Å; S53-S55 PolarHBondContact O-N 3.09Å
54A31.4Very low31.6Very low102 Ų102100.2 Ų100.284%0.84366%0.659SS**  trans-5598.3170.400000108.3L52 S56L52-A54 PolarHBondContact O-N 2.95Å; L52-A54 VanDerWaalsContact O-N 3.16Å; A54-S56 PolarHBondContact O-N 3.4Å
55S30.6Very low31.7Very low114 Ų11496.6 Ų96.680%0.79763%0.633SS**  trans-74.2109.3169.355.10000106.9S53 G57S53-S55 VanDerWaalsContact C-N 3.33Å; S53-S55 PolarHBondContact O-N 3.09Å; S55-G57 PolarHBondContact O-N 3.18Å
56S32.1Very low32Very low116 Ų11692.3 Ų92.381%0.81161%0.608SS**PPolyproline II helixtrans-47134.1169.628.10000109.8A54A54-S56 PolarHBondContact O-N 3.4Å
57G29.4Very low32.1Very low57 Ų5786.7 Ų86.759%0.58858%0.579SS**PPolyproline II helixtrans-56.7168.9179.400000112.9S55S55-G57 PolarHBondContact O-N 3.18Å
58P34.4Very low32.4Very low66 Ų6685.5 Ų85.543%0.42956%0.564SS.*PPolyproline II helixtrans-61.4133.3-179.826.9-32.6000110.8R267P58-R267 VanDerWaalsContact CG-NH1 3.28Å
59P33.9Very low32.5Very low72 Ų7283 Ų8347%0.46855%0.546SS..PPolyproline II helixtrans-64.1146.3164.727.5-32000109.1F215P59-F215 HydrophobicContact CB-CD1 3.95Å; P59-F215 HydrophobicContact CB-CE1 3.79Å; P59-F215 HydrophobicContact CB-CZ 4.43Å
60P31.1Very low32.9Very low76 Ų7678.3 Ų78.349%0.49451%0.514SS..PPolyproline II helixtrans-58.2153.6173.226.3-34000110.3F215P60-F215 HydrophobicContact CG-CE1 4.34Å
61P34.9Very low33.1Very low39 Ų3978.8 Ų78.825%0.25350%0.498SS..PPolyproline II helixtrans-53.1144.516726.5-33.4000107.8H258P61-H258 WeakPolarHBondContact CD-CE1 3.5Å; P61-H258 WeakPolarHBondContact CD-ND1 3.36Å; P61-H258 HydrophobicContact CG-CB 3.94Å; P61-H258 WeakPolarHBondContact CG-ND1 3.34Å
62P33.3Very low33.2Very low29 Ų2977.4 Ų77.419%0.18850%0.501CS..PPolyproline II helixtrans-52.6139.8178.122.2-31.4000108.7F232 M251P62-F232 HydrophobicContact CG-CD2 3.89Å; P62-F232 HydrophobicContact CG-CE2 3.98Å; P62-F232 HydrophobicContact CG-CG 4.26Å; P62-F232 HydrophobicContact CG-CZ 4.41Å; P62-M251 HydrophobicContact CG-CE 4.42Å
63P30.8Very low33.3Very low84 Ų8472 Ų7255%0.54549%0.488SS..PPolyproline II helixtrans-51.2147.1175.922.2-31.8000108.7L65P63-L65 PolarHBondContact O-N 3.35Å
64P36.7Very low33.2Very low53 Ų5373.5 Ų73.534%0.34449%0.492SS..PPolyproline II helixtrans-47.1125.3175.919.7-30.6000107.1Q66P64-Q66 VanDerWaalsContact C-N 3.25Å; P64-Q66 WeakPolarHBondContact O-CA 3.19Å; P64-Q66 VanDerWaalsContact O-CG 3.24Å; P64-Q66 WeakPolarHBondContact O-CG 3.45Å; P64-Q66 PolarHBondContact O-N 3.32Å
65L37.3Very low33Very low48 Ų4872.4 Ų72.425%0.25149%0.491SS..  trans-45.397.6-175.2-80.1168.1000107.7P63 L67 F203 M244P63-L65 PolarHBondContact O-N 3.35Å; L65-L67 PolarHBondContact O-N 3.1Å; L65-F203 HydrophobicContact CD1-CE1 4.41Å; L65-F203 HydrophobicContact CD1-CZ 3.89Å; L65-M244 HydrophobicContact CD1-CE 3.8Å; L65-M244 HydrophobicContact CD1-SD 3.64Å
66Q37.5Very low32.8Very low81 Ų8172.6 Ų72.638%0.37950%0.499SS..  trans-69.2137.3-170.9-70.1-174.7-21.100104.3P64 H68 S69P64-Q66 VanDerWaalsContact C-N 3.25Å; P64-Q66 WeakPolarHBondContact O-CA 3.19Å; P64-Q66 VanDerWaalsContact O-CG 3.24Å; P64-Q66 WeakPolarHBondContact O-CG 3.45Å; P64-Q66 PolarHBondContact O-N 3.32Å; Q66-H68 HydrophobicContact CB-CB 4.11Å; Q66-H68 PolarHBondContact O-N 3.49Å; Q66-H68 PolarHBondContact OE1-CE1 3.27Å; Q66-H68 PolarHBondContact OE1-ND1 3.25Å; Q66-S69 PolarHBondContact O-N 3.05Å
67L34Very low32.4Very low53 Ų5370.2 Ų70.228%0.27749%0.493SS..THydrogen-bonded Turntrans-46.6-21.8175.6-151.272.6000112.1L65 S69 L70 Y71L65-L67 PolarHBondContact O-N 3.1Å; L67-S69 PolarHBondContact O-N 3.15Å; L67-L70 PolarHBondContact O-N 3.34Å; L67-L70 VanDerWaalsContact O-N 3.08Å; L67-Y71 HydrophobicContact CD2-CD2 4.47Å; L67-Y71 HydrophobicContact CD2-CE2 3.6Å; L67-Y71 HydrophobicContact CG-CD2 4.15Å; L67-Y71 HydrophobicContact CG-CE2 3.67Å; L67-Y71 WeakPolarHBondContact O-CD2 3.1Å; L67-Y71 PolarHBondContact O-N 3.47Å
68H37.5Very low32.2Very low88 Ų8876.4 Ų76.441%0.40751%0.511SS..Hα-helixtrans-49.5-47.7170.8-52.7153.1000114.8Q66 L70Q66-H68 HydrophobicContact CB-CB 4.11Å; Q66-H68 PolarHBondContact O-N 3.49Å; Q66-H68 PolarHBondContact OE1-CE1 3.27Å; Q66-H68 PolarHBondContact OE1-ND1 3.25Å; H68-L70 PolarHBondContact O-N 2.85Å
69S32.2Very low31.6Very low63 Ų6376.7 Ų76.744%0.44153%0.526SS..Hα-helixtrans-70-14.3178.7-73.40000112.7Q66 L67 E210Q66-S69 PolarHBondContact O-N 3.05Å; L67-S69 PolarHBondContact O-N 3.15Å; S69-E210 PolarHBondContact OG-OE2 2.97Å
70L39.4Very low31.4Very low26 Ų2680 Ų8014%0.13655%0.547CS..Hα-helixtrans-99-10.1-173.6-67.2170.8000113.9L67 H68 R197 F203L67-L70 PolarHBondContact O-N 3.34Å; L67-L70 VanDerWaalsContact O-N 3.08Å; H68-L70 PolarHBondContact O-N 2.85Å; L70-R197 PolarHBondContact O-NH1 3.01Å; L70-R197 PolarHBondContact O-NH2 3.34Å; L70-F203 HydrophobicContact CD2-CE2 3.97Å
71Y34.8Very low31Very low98 Ų9879.8 Ų79.838%0.38456%0.56SS.*Hα-helixtrans-91.5-17.6176.2-87.5-79000114.2L67 G73L67-Y71 HydrophobicContact CD2-CD2 4.47Å; L67-Y71 HydrophobicContact CD2-CE2 3.6Å; L67-Y71 HydrophobicContact CG-CD2 4.15Å; L67-Y71 HydrophobicContact CG-CE2 3.67Å; L67-Y71 WeakPolarHBondContact O-CD2 3.1Å; L67-Y71 PolarHBondContact O-N 3.47Å; Y71-G73 PolarHBondContact O-N 2.97Å
72G28Very low30.6Very low79 Ų7983.1 Ų83.181%0.81459%0.591SS**SBendtrans-794.9-177.900000115.9
73G28.9Very low30.5Very low63 Ų6385.8 Ų85.865%0.64962%0.623SS**  trans-122.956.7-167.300000114.5Y71Y71-G73 PolarHBondContact O-N 2.97Å
74V28.4Very low30.2Very low137 Ų13784.9 Ų84.983%0.8363%0.629SS**SBendtrans-148.2104.6163.5-110.10000111
75G26.8Very low30Very low79 Ų7991.9 Ų91.981%0.81466%0.657SS**  trans74.376.3145.300000118.6G77G75-G77 PolarHBondContact O-N 3.01Å
76A27.3Very low29.7Very low118 Ų11894.2 Ų94.298%0.97568%0.676SS**  trans-73.9104.7150.900000108.5
77G23.5Very low29.4Very low66 Ų6696.1 Ų96.168%0.6869%0.689SS**  trans-176.690.317800000113.8G75G75-G77 PolarHBondContact O-N 3.01Å
78L25.2Very low29.7Very low187 Ų18796 Ų9698%0.97969%0.692SS**SBendtrans84.6102.2156.4-55.4169000119.3
79G22.8Very low29.9Very low72 Ų7294.7 Ų94.774%0.74270%0.701SS**  trans149.8119.9155.100000113.8
80P29.9Very low31.1Very low140 Ų14095.6 Ų95.691%0.90970%0.701SS**  trans-89.8122.4-178.433.7-27.5000110.9
81G22.6Very low32.1Very low73 Ų7398.3 Ų98.375%0.75372%0.72SS**  trans168.5112.9169.400000115.2
82A25.6Very low33.7Very low109 Ų10996.5 Ų96.590%0.90173%0.726SS**  trans70116.7157.600000118.5
83G30.3Very low35.7Very low85 Ų8594.9 Ų94.988%0.87670%0.7SS**  trans-68.1157.6-177.300000115.6
84G26Very low37.5Very low65 Ų6592.7 Ų92.767%0.6767%0.673SS**  trans169.883.2169.700000109.4C86G84-C86 PolarHBondContact O-N 2.86Å
85H31.2Very low39.4Very low200 Ų20090.5 Ų90.593%0.92665%0.653SS**  trans-62100.1169.1-7773.4000107.8N87H85-N87 PolarHBondContact O-N 3.5Å; H85-N87 VanDerWaalsContact O-N 3.16Å
86C31.6Very low41.6Very low97 Ų9792.9 Ų92.966%0.65564%0.642SS**  trans-77.5101.5177.945.90000109.2G84 P88 V93G84-C86 PolarHBondContact O-N 2.86Å; C86-P88 WeakPolarHBondContact O-CD 3.39Å; C86-V93 HydrophobicContact CB-CG1 4.46Å; C86-V93 HydrophobicContact CB-CG2 4.41Å
87N32.3Very low43.6Very low120 Ų12088.6 Ų88.664%0.64261%0.607SS**  trans-73117169.6-165.2-5.1000108.7H85 G89 N90H85-N87 PolarHBondContact O-N 3.5Å; H85-N87 VanDerWaalsContact O-N 3.16Å; N87-G89 PolarHBondContact O-N 2.64Å; N87-G89 VanDerWaalsContact O-N 3.17Å; N87-N90 WeakPolarHBondContact O-CB 3.3Å; N87-N90 PolarHBondContact O-N 2.81Å; N87-N90 VanDerWaalsContact O-N 3.16Å
88P39.1Very low45.7Very low52 Ų5285.5 Ų85.534%0.33858%0.575SS.*THydrogen-bonded Turntrans-70.9-6.4-176.327.2-33.5000113.9C86 N90C86-P88 WeakPolarHBondContact O-CD 3.39Å; P88-N90 PolarHBondContact O-N 2.6Å
89G42.2Very low48Very low59 Ų5980 Ų8061%0.60854%0.544SS*.THydrogen-bonded Turntrans-71.1-2.8167.800000114.2N87 P91N87-G89 PolarHBondContact O-N 2.64Å; N87-G89 VanDerWaalsContact O-N 3.17Å; G89-P91 WeakPolarHBondContact O-CD 3.42Å
90N57Low50.3Low83 Ų8378.8 Ų78.844%0.44453%0.527SS..SBendtrans-86.4117.3176.3-171.1-19.1000110.6N87 P88 A92 V93 L94N87-N90 WeakPolarHBondContact O-CB 3.3Å; N87-N90 PolarHBondContact O-N 2.81Å; N87-N90 VanDerWaalsContact O-N 3.16Å; P88-N90 PolarHBondContact O-N 2.6Å; N90-A92 PolarHBondContact O-N 2.81Å; N90-A92 WeakPolarHBondContact OD1-CB 3.46Å; N90-A92 PolarHBondContact OD1-N 2.75Å; N90-A92 VanDerWaalsContact OD1-N 3.09Å; N90-V93 HydrophobicContact CB-CG2 4.03Å; N90-V93 PolarHBondContact O-N 3.37Å; N90-L94 PolarHBondContact O-N 3.19Å
91P59.6Low52.2Low82 Ų8273.9 Ų73.953%0.53249%0.494SS..Hα-helixtrans-53.2-26.6178.7-26.334.3000114.2G89 K95G89-P91 WeakPolarHBondContact O-CD 3.42Å; P91-K95 WeakPolarHBondContact O-CB 3.47Å; P91-K95 PolarHBondContact O-N 3.4Å; P91-K95 VanDerWaalsContact O-N 3.12Å
92A68.9Low54.4Low60 Ų6071.3 Ų71.350%0.49646%0.464SS..Hα-helixtrans-68.7-40.717700000112.9N90 K95 E96N90-A92 PolarHBondContact O-N 2.81Å; N90-A92 WeakPolarHBondContact OD1-CB 3.46Å; N90-A92 PolarHBondContact OD1-N 2.75Å; N90-A92 VanDerWaalsContact OD1-N 3.09Å; A92-K95 PolarHBondContact O-N 2.92Å; A92-E96 PolarHBondContact O-N 3.24Å
93V70Confident56.5Low45 Ų4573.1 Ų73.127%0.27345%0.447SS..Hα-helixtrans-69.6-42.3-179.61770000110.3C86 N90 K95 E96 A97C86-V93 HydrophobicContact CB-CG1 4.46Å; C86-V93 HydrophobicContact CB-CG2 4.41Å; N90-V93 HydrophobicContact CB-CG2 4.03Å; N90-V93 PolarHBondContact O-N 3.37Å; V93-K95 VanDerWaalsContact C-N 3.34Å; V93-K95 PolarHBondContact O-N 3.06Å; V93-E96 PolarHBondContact O-N 3.22Å; V93-A97 WeakPolarHBondContact O-CB 3.47Å; V93-A97 PolarHBondContact O-N 3.21Å
94L67.4Low58.3Low17 Ų1773 Ų739%0.08943%0.433CS..Hα-helixtrans-58.9-47.7174.3179.464.7000110.7N90 E96 A97 V98 F168 I184 M187N90-L94 PolarHBondContact O-N 3.19Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E96 PolarHBondContact O-N 3.32Å; L94-A97 PolarHBondContact O-N 3.4Å; L94-V98 HydrophobicContact CD1-CG2 4.11Å; L94-V98 HydrophobicContact CG-CG2 4.32Å; L94-V98 WeakPolarHBondContact O-CB 3.47Å; L94-V98 WeakPolarHBondContact O-CG2 3.06Å; L94-V98 PolarHBondContact O-N 3.36Å; L94-F168 HydrophobicContact CD2-CD2 3.78Å; L94-F168 HydrophobicContact CD2-CE2 4.17Å; L94-F168 HydrophobicContact CD2-CG 4.2Å; L94-F168 HydrophobicContact CG-CE2 4.42Å; L94-I184 HydrophobicContact CD1-CD1 4.25Å; L94-I184 HydrophobicContact CD2-CD1 4.18Å; L94-I184 HydrophobicContact CG-CD1 4.19Å; L94-M187 HydrophobicContact CD1-CE 4.21Å
95K68.8Low60.2Low92 Ų9271.2 Ų71.240%0.441%0.407SS..Hα-helixtrans-57.4-44.8177.7-175.6-178175.5-171.90111.9P91 A92 V93 E99 F168P91-K95 WeakPolarHBondContact O-CB 3.47Å; P91-K95 PolarHBondContact O-N 3.4Å; P91-K95 VanDerWaalsContact O-N 3.12Å; A92-K95 PolarHBondContact O-N 2.92Å; V93-K95 VanDerWaalsContact C-N 3.34Å; V93-K95 PolarHBondContact O-N 3.06Å; K95-E99 VanDerWaalsContact CE-OE1 3.26Å; K95-E99 WeakPolarHBondContact CE-OE1 3.46Å; K95-E99 WeakPolarHBondContact O-CB 3.48Å; K95-E99 VanDerWaalsContact O-CG 3.31Å; K95-E99 WeakPolarHBondContact O-CG 3.4Å; K95-E99 PolarHBondContact O-N 2.86Å; K95-F168 HydrophobicContact CB-CE2 4.38Å
96E72.9Confident61.7Low129 Ų12962.4 Ų62.460%0.60337%0.369SS*.Hα-helixtrans-64.9-46.9179.4-173.8-179.7178.200112.5A92 V93 L94 V98 E99 A100A92-E96 PolarHBondContact O-N 3.24Å; V93-E96 PolarHBondContact O-N 3.22Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E96 PolarHBondContact O-N 3.32Å; E96-V98 VanDerWaalsContact C-N 3.31Å; E96-V98 PolarHBondContact O-N 2.91Å; E96-E99 PolarHBondContact O-N 3.39Å; E96-A100 PolarHBondContact O-N 3.45Å
97A68.9Low63.1Low27 Ų2765.3 Ų65.322%0.22337%0.37CS..Hα-helixtrans-59.5-43.8178.300000111.5V93 L94 A100 V101V93-A97 WeakPolarHBondContact O-CB 3.47Å; V93-A97 PolarHBondContact O-N 3.21Å; L94-A97 PolarHBondContact O-N 3.4Å; A97-A100 PolarHBondContact O-N 3.38Å; A97-V101 WeakPolarHBondContact O-CG2 3.35Å; A97-V101 PolarHBondContact O-N 3.1Å
98V66.9Low64.2Low1 Ų167.8 Ų67.81%0.00638%0.378CS..Hα-helixtrans-62.1-45.7176.7173.10000111.1L94 E96 A100 V101 V102 K183 I184 M187L94-V98 HydrophobicContact CD1-CG2 4.11Å; L94-V98 HydrophobicContact CG-CG2 4.32Å; L94-V98 WeakPolarHBondContact O-CB 3.47Å; L94-V98 WeakPolarHBondContact O-CG2 3.06Å; L94-V98 PolarHBondContact O-N 3.36Å; E96-V98 VanDerWaalsContact C-N 3.31Å; E96-V98 PolarHBondContact O-N 2.91Å; V98-A100 VanDerWaalsContact C-N 3.31Å; V98-A100 PolarHBondContact O-N 2.81Å; V98-V101 PolarHBondContact O-N 3.48Å; V98-V102 VanDerWaalsContact O-CG2 3.3Å; V98-V102 WeakPolarHBondContact O-CG2 3.37Å; V98-V102 PolarHBondContact O-N 2.73Å; V98-K183 HydrophobicContact CG1-CB 3.64Å; V98-K183 HydrophobicContact CG1-CD 4.4Å; V98-K183 HydrophobicContact CG1-CG 4.32Å; V98-I184 HydrophobicContact CG1-CD1 4.42Å; V98-I184 HydrophobicContact CG2-CD1 3.43Å; V98-I184 VanDerWaalsContact CG2-CD1 3.43Å; V98-M187 HydrophobicContact CB-SD 4.05Å; V98-M187 HydrophobicContact CG2-CE 3.66Å; V98-M187 HydrophobicContact CG2-SD 3.36Å; V98-M187 WeakPolarHBondContact CG2-SD 3.5Å
99E73.4Confident65Low72 Ų7268.6 Ų68.634%0.33638%0.381SS..Hα-helixtrans-65.7-32.2177.6-74.9178.1-176.700112.7K95 E96 R103K95-E99 VanDerWaalsContact CE-OE1 3.26Å; K95-E99 WeakPolarHBondContact CE-OE1 3.46Å; K95-E99 WeakPolarHBondContact O-CB 3.48Å; K95-E99 VanDerWaalsContact O-CG 3.31Å; K95-E99 WeakPolarHBondContact O-CG 3.4Å; K95-E99 PolarHBondContact O-N 2.86Å; E96-E99 PolarHBondContact O-N 3.39Å; E99-R103 WeakPolarHBondContact O-CB 3.38Å; E99-R103 VanDerWaalsContact O-CG 3.23Å; E99-R103 WeakPolarHBondContact O-CG 3.43Å; E99-R103 PolarHBondContact O-N 3.37Å; E99-R103 VanDerWaalsContact O-N 3.1Å; E99-R103 PolarHBondContact O-NE 2.95Å; E99-R103 VanDerWaalsContact O-NE 3.1Å
100A72.6Confident65.3Low46 Ų4671.5 Ų71.538%0.3838%0.379SS..Hα-helixtrans-67.5-45.4174.200000112E96 A97 V98 R103 S104E96-A100 PolarHBondContact O-N 3.45Å; A97-A100 PolarHBondContact O-N 3.38Å; V98-A100 VanDerWaalsContact C-N 3.31Å; V98-A100 PolarHBondContact O-N 2.81Å; A100-R103 PolarHBondContact O-N 3.5Å; A100-S104 PolarHBondContact O-N 3.43Å
101V68.6Low64.9Low37 Ų3771.1 Ų71.122%0.22440%0.395CS..Hα-helixtrans-65-44.6178.8174.30000111.2A97 V98 R103 S104 F105 M187 V190A97-V101 WeakPolarHBondContact O-CG2 3.35Å; A97-V101 PolarHBondContact O-N 3.1Å; V98-V101 PolarHBondContact O-N 3.48Å; V101-R103 VanDerWaalsContact C-N 3.33Å; V101-R103 PolarHBondContact O-N 2.93Å; V101-S104 WeakPolarHBondContact O-CB 3.43Å; V101-S104 PolarHBondContact O-N 2.86Å; V101-S104 VanDerWaalsContact O-N 3.15Å; V101-F105 PolarHBondContact O-N 2.95Å; V101-M187 HydrophobicContact CB-CG 3.98Å; V101-M187 HydrophobicContact CG1-CB 4.37Å; V101-M187 HydrophobicContact CG1-CG 4.04Å; V101-M187 HydrophobicContact CG2-CG 3.95Å; V101-M187 HydrophobicContact CG2-SD 4.43Å; V101-V190 HydrophobicContact CG1-CB 4.44Å; V101-V190 HydrophobicContact CG1-CG1 4.4Å
102V68.9Low63.9Low19 Ų1978.2 Ų78.212%0.11541%0.413CS..Hα-helixtrans-60-43.6176.2172.20000111.1V98 S104 F105 A106 V117 L186V98-V102 VanDerWaalsContact O-CG2 3.3Å; V98-V102 WeakPolarHBondContact O-CG2 3.37Å; V98-V102 PolarHBondContact O-N 2.73Å; V102-S104 VanDerWaalsContact C-N 3.32Å; V102-S104 PolarHBondContact O-N 3.14Å; V102-F105 PolarHBondContact O-N 3.09Å; V102-A106 WeakPolarHBondContact O-CB 3.48Å; V102-A106 PolarHBondContact O-N 2.99Å; V102-V117 HydrophobicContact CG1-CG1 3.81Å; V102-V117 HydrophobicContact CG2-CG1 4.31Å; V102-L186 HydrophobicContact CG2-CD2 4.35Å
103R68.9Low63Low148 Ų14877.9 Ų77.956%0.55842%0.415SS*.Hα-helixtrans-64-35.5176.1-78.4-178-71.1173.2-3112.8E99 A100 V101 A106 K107E99-R103 WeakPolarHBondContact O-CB 3.38Å; E99-R103 VanDerWaalsContact O-CG 3.23Å; E99-R103 WeakPolarHBondContact O-CG 3.43Å; E99-R103 PolarHBondContact O-N 3.37Å; E99-R103 VanDerWaalsContact O-N 3.1Å; E99-R103 PolarHBondContact O-NE 2.95Å; E99-R103 VanDerWaalsContact O-NE 3.1Å; A100-R103 PolarHBondContact O-N 3.5Å; V101-R103 VanDerWaalsContact C-N 3.33Å; V101-R103 PolarHBondContact O-N 2.93Å; R103-A106 WeakPolarHBondContact O-CB 3.4Å; R103-K107 WeakPolarHBondContact O-CG 3.23Å; R103-K107 PolarHBondContact O-N 2.98Å
104S68.4Low62.4Low82 Ų8288.1 Ų88.157%0.57345%0.449SS*.Hα-helixtrans-68-46.6176.2-1700000111.5A100 V101 V102 A106 K107 H108A100-S104 PolarHBondContact O-N 3.43Å; V101-S104 WeakPolarHBondContact O-CB 3.43Å; V101-S104 PolarHBondContact O-N 2.86Å; V101-S104 VanDerWaalsContact O-N 3.15Å; V102-S104 VanDerWaalsContact C-N 3.32Å; V102-S104 PolarHBondContact O-N 3.14Å; S104-A106 PolarHBondContact O-N 3.3Å; S104-K107 PolarHBondContact O-N 3.42Å; S104-H108 PolarHBondContact O-N 2.69Å
105F65.6Low62.3Low28 Ų2889.3 Ų89.312%0.12346%0.457CS..Hα-helixtrans-61.2-43.9177-175-97.7000112V101 V102 K107 H108 T109 A120 F124 V190V101-F105 PolarHBondContact O-N 2.95Å; V102-F105 PolarHBondContact O-N 3.09Å; F105-K107 VanDerWaalsContact C-N 3.31Å; F105-K107 PolarHBondContact O-N 3.43Å; F105-H108 PolarHBondContact O-N 3.31Å; F105-T109 WeakPolarHBondContact CD1-OG1 3.41Å; F105-T109 HydrophobicContact CE1-CG2 4.01Å; F105-T109 WeakPolarHBondContact CE1-OG1 3.36Å; F105-T109 HydrophobicContact CE2-CG2 4.06Å; F105-T109 HydrophobicContact CZ-CG2 3.69Å; F105-T109 PolarHBondContact O-N 3.42Å; F105-T109 VanDerWaalsContact O-N 3.14Å; F105-T109 PolarHBondContact O-OG1 2.82Å; F105-A120 HydrophobicContact CD1-CB 4.42Å; F105-A120 HydrophobicContact CE1-CB 4.04Å; F105-F124 HydrophobicContact CE2-CD2 4Å; F105-F124 HydrophobicContact CZ-CB 4.45Å; F105-F124 HydrophobicContact CZ-CD2 4.35Å; F105-V190 HydrophobicContact CD2-CG2 3.79Å; F105-V190 HydrophobicContact CE2-CG2 4.15Å; F105-V190 HydrophobicContact CG-CG2 4.4Å
106A62.9Low63.1Low15 Ų1588.1 Ų88.112%0.12446%0.455CS..Hα-helixtrans-49.3-51.6175.200000112V102 R103 S104 H108 T109 Q110 V115V102-A106 WeakPolarHBondContact O-CB 3.48Å; V102-A106 PolarHBondContact O-N 2.99Å; R103-A106 WeakPolarHBondContact O-CB 3.4Å; S104-A106 PolarHBondContact O-N 3.3Å; A106-H108 PolarHBondContact O-N 3.07Å; A106-H108 VanDerWaalsContact O-N 3.17Å; A106-T109 PolarHBondContact O-N 2.76Å; A106-Q110 CarbonylContact O-C 3.48Å; A106-Q110 PolarHBondContact O-N 3.34Å; A106-V115 HydrophobicContact CB-CB 4.36Å; A106-V115 HydrophobicContact CB-CG2 3.21Å
107K61.2Low63.9Low158 Ų15882.4 Ų82.469%0.68743%0.429SS*.Hα-helixtrans-59.4-29.4-179.5-71.7175.6179.6-175.20113.2R103 S104 F105R103-K107 WeakPolarHBondContact O-CG 3.23Å; R103-K107 PolarHBondContact O-N 2.98Å; S104-K107 PolarHBondContact O-N 3.42Å; F105-K107 VanDerWaalsContact C-N 3.31Å; F105-K107 PolarHBondContact O-N 3.43Å
108H56Low65Low172 Ų17282.1 Ų82.180%0.79643%0.425SS*.Hα-helixtrans-90.8-19.2-175.2-154.4-64.4000113.6S104 F105 A106S104-H108 PolarHBondContact O-N 2.69Å; F105-H108 PolarHBondContact O-N 3.31Å; A106-H108 PolarHBondContact O-N 3.07Å; A106-H108 VanDerWaalsContact O-N 3.17Å
109T55.3Low66.1Low68 Ų6887.4 Ų87.442%0.41745%0.449SS..Hα-helixtrans-115.2-31.9-174.738.80000114F105 A106F105-T109 WeakPolarHBondContact CD1-OG1 3.41Å; F105-T109 HydrophobicContact CE1-CG2 4.01Å; F105-T109 WeakPolarHBondContact CE1-OG1 3.36Å; F105-T109 HydrophobicContact CE2-CG2 4.06Å; F105-T109 HydrophobicContact CZ-CG2 3.69Å; F105-T109 PolarHBondContact O-N 3.42Å; F105-T109 VanDerWaalsContact O-N 3.14Å; F105-T109 PolarHBondContact O-OG1 2.82Å; A106-T109 PolarHBondContact O-N 2.76Å
110Q49.8Very low66.9Low120 Ų12084.1 Ų84.156%0.56144%0.435SS*.SBendtrans-148.2125.3175.4-69.4-167.1-5.100111.9A106 Y112A106-Q110 CarbonylContact O-C 3.48Å; A106-Q110 PolarHBondContact O-N 3.34Å; Q110-Y112 PolarHBondContact O-N 3.36Å
111G47.3Very low67.9Low75 Ų7582 Ų8277%0.77342%0.416SS*.SBendtrans-51133.1174.500000112.3G113G111-G113 PolarHBondContact O-N 3.01Å; G111-G113 VanDerWaalsContact O-N 3.11Å
112Y38.5Very low69Low231 Ų23183 Ų8391%0.90642%0.419SS*.SBendtrans10.980172-88.5-93.3000116.8Q110Q110-Y112 PolarHBondContact O-N 3.36Å
113G50.7Low70Confident54 Ų5486.8 Ų86.856%0.55744%0.435SS*.SBendtrans-142.7160.2167.600000112G111 V115G111-G113 PolarHBondContact O-N 3.01Å; G111-G113 VanDerWaalsContact O-N 3.11Å; G113-V115 PolarHBondContact O-N 3.43Å
114R57.1Low71Confident259 Ų25980.3 Ų80.398%0.97741%0.411SS*.  trans-66.6100.2170.5-90.3-173.5179.5176.71.3108.4N116R114-N116 PolarHBondContact O-N 3.39Å
115V65.1Low72.1Confident42 Ų4276.8 Ų76.826%0.25539%0.385SS..  trans-61.1122.8180176.70000111.3A106 G113 V117 A120A106-V115 HydrophobicContact CB-CB 4.36Å; A106-V115 HydrophobicContact CB-CG2 3.21Å; G113-V115 PolarHBondContact O-N 3.43Å; V115-V117 PolarHBondContact O-N 3.36Å; V115-V117 VanDerWaalsContact O-N 3.12Å; V115-A120 HydrophobicContact CG1-CB 3.69Å
116N86.4Confident73.3Confident67 Ų6779.8 Ų79.836%0.35840%0.4SS..  trans-7497.7166.3-174.8-10.5000108.7R114 V118 E119 A120R114-N116 PolarHBondContact O-N 3.39Å; N116-V118 PolarHBondContact O-N 3.48Å; N116-V118 VanDerWaalsContact O-N 3.11Å; N116-V118 PolarHBondContact OD1-N 3.21Å; N116-E119 HydrophobicContact CB-CB 4.13Å; N116-E119 HydrophobicContact CB-CG 4.3Å; N116-E119 VanDerWaalsContact CB-OE2 3.27Å; N116-E119 WeakPolarHBondContact CB-OE2 3.47Å; N116-E119 PolarHBondContact ND2-OE1 3.45Å; N116-E119 PolarHBondContact ND2-OE2 2.82Å; N116-E119 VanDerWaalsContact ND2-OE2 3.09Å; N116-E119 PolarHBondContact O-N 3.09Å; N116-E119 VanDerWaalsContact O-N 3.08Å; N116-A120 PolarHBondContact O-N 3.03Å
117V88.9Confident74.4Confident9 Ų982.2 Ų82.26%0.05541%0.409CS..Hα-helixtrans-57-27.6-176.2-65.10000114.1V102 V115 L121 R179 A182 K183V102-V117 HydrophobicContact CG1-CG1 3.81Å; V102-V117 HydrophobicContact CG2-CG1 4.31Å; V115-V117 PolarHBondContact O-N 3.36Å; V115-V117 VanDerWaalsContact O-N 3.12Å; V117-L121 WeakPolarHBondContact O-CB 3.36Å; V117-L121 PolarHBondContact O-N 2.81Å; V117-L121 VanDerWaalsContact O-N 3.09Å; V117-R179 HydrophobicContact CG2-CB 4.19Å; V117-R179 HydrophobicContact CG2-CG 4.24Å; V117-A182 HydrophobicContact CG2-CB 4.19Å; V117-K183 HydrophobicContact CB-CG 4.28Å; V117-K183 HydrophobicContact CG1-CG 4.01Å; V117-K183 HydrophobicContact CG2-CG 4.1Å
118V92Very high75.6Confident22 Ų2276.4 Ų76.413%0.13338%0.384CS..Hα-helixtrans-71.9-44.4178.3175.50000110.1N116 Q122 Y143 R178 R179 A182N116-V118 PolarHBondContact O-N 3.48Å; N116-V118 VanDerWaalsContact O-N 3.11Å; N116-V118 PolarHBondContact OD1-N 3.21Å; V118-Q122 PolarHBondContact O-N 3.27Å; V118-Y143 HydrophobicContact CG1-CE2 4.24Å; V118-R178 HydrophobicContact CG2-CG 4.31Å; V118-R179 HydrophobicContact CG2-CG 4.19Å; V118-A182 HydrophobicContact CG2-CB 3.85Å
119E90.6Very high77.1Confident111 Ų11171 Ų7152%0.51936%0.361SS..Hα-helixtrans-68.1-46.9175.8-73.7166.6-175.400110.8N116 L121 Q122 E123N116-E119 HydrophobicContact CB-CB 4.13Å; N116-E119 HydrophobicContact CB-CG 4.3Å; N116-E119 VanDerWaalsContact CB-OE2 3.27Å; N116-E119 WeakPolarHBondContact CB-OE2 3.47Å; N116-E119 PolarHBondContact ND2-OE1 3.45Å; N116-E119 PolarHBondContact ND2-OE2 2.82Å; N116-E119 VanDerWaalsContact ND2-OE2 3.09Å; N116-E119 PolarHBondContact O-N 3.09Å; N116-E119 VanDerWaalsContact O-N 3.08Å; E119-L121 PolarHBondContact O-N 3.45Å; E119-Q122 PolarHBondContact O-N 2.97Å; E119-E123 WeakPolarHBondContact O-CB 3.44Å; E119-E123 WeakPolarHBondContact O-CG 3.49Å; E119-E123 PolarHBondContact O-N 3Å
120A90.3Very high78.7Confident4 Ų473.3 Ų73.33%0.03338%0.375CS..Hα-helixtrans-57-37.6177.700000112.7F105 V115 N116 F124 L186F105-A120 HydrophobicContact CD1-CB 4.42Å; F105-A120 HydrophobicContact CE1-CB 4.04Å; V115-A120 HydrophobicContact CG1-CB 3.69Å; N116-A120 PolarHBondContact O-N 3.03Å; A120-F124 VanDerWaalsContact O-CB 3.28Å; A120-F124 WeakPolarHBondContact O-CB 3.46Å; A120-F124 PolarHBondContact O-N 3.17Å; A120-L186 HydrophobicContact CB-CD2 3.91Å
121L92.9Very high80.4Confident0 Ų076.9 Ų76.90%038%0.383CS..Hα-helixtrans-65.8-45.4173.8-179.857.8000112.1V117 E119 F124 W125 V141 V157 L159 A182 A185 L186V117-L121 WeakPolarHBondContact O-CB 3.36Å; V117-L121 PolarHBondContact O-N 2.81Å; V117-L121 VanDerWaalsContact O-N 3.09Å; E119-L121 PolarHBondContact O-N 3.45Å; L121-F124 PolarHBondContact O-N 2.97Å; L121-W125 VanDerWaalsContact O-CD1 3.32Å; L121-W125 PolarHBondContact O-N 3Å; L121-V141 HydrophobicContact CD2-CG1 3.92Å; L121-V141 HydrophobicContact CG-CG1 4.29Å; L121-V141 HydrophobicContact CG-CG2 4.23Å; L121-V157 HydrophobicContact CD2-CG2 4.22Å; L121-L159 HydrophobicContact CD1-CD2 4.05Å; L121-L159 HydrophobicContact CD2-CD2 4.16Å; L121-L159 HydrophobicContact CG-CD2 4.46Å; L121-A182 HydrophobicContact CD2-CB 4.26Å; L121-A185 HydrophobicContact CD2-CB 3.72Å; L121-L186 HydrophobicContact CB-CB 4.28Å; L121-L186 HydrophobicContact CB-CD1 4.43Å; L121-L186 HydrophobicContact CD1-CB 4.11Å; L121-L186 HydrophobicContact CD1-CD1 4.27Å
122Q92.6Very high82.1Confident60 Ų6076.4 Ų76.428%0.2838%0.379SS..Hα-helixtrans-64.4-43.2178.1-17456.962.500111.6V118 E119 F124 W125 Q126 A139V118-Q122 PolarHBondContact O-N 3.27Å; E119-Q122 PolarHBondContact O-N 2.97Å; Q122-F124 PolarHBondContact O-N 3.01Å; Q122-W125 PolarHBondContact O-N 3.41Å; Q122-Q126 WeakPolarHBondContact O-CB 3.49Å; Q122-Q126 PolarHBondContact O-N 3.46Å; Q122-A139 PolarHBondContact NE2-O 3.29Å
123E90.1Very high84.1Confident97 Ų9766.8 Ų66.845%0.45335%0.347SS..Hα-helixtrans-61.5-42.1176.1-73.5178.2177.300111.9E119 W125 Q126 M127E119-E123 WeakPolarHBondContact O-CB 3.44Å; E119-E123 WeakPolarHBondContact O-CG 3.49Å; E119-E123 PolarHBondContact O-N 3Å; E123-W125 PolarHBondContact O-N 3.5Å; E123-Q126 PolarHBondContact O-N 3.31Å; E123-M127 VanDerWaalsContact O-CB 3.31Å; E123-M127 WeakPolarHBondContact O-CB 3.34Å; E123-M127 PolarHBondContact O-N 3.41Å
124F89.6Confident85.4Confident13 Ų1371 Ų716%0.05736%0.356CS..Hα-helixtrans-57.3-49.9177.1175-86000111.7F105 A120 L121 Q122 M127 K128 L186 S189 V190 E193F105-F124 HydrophobicContact CE2-CD2 4Å; F105-F124 HydrophobicContact CZ-CB 4.45Å; F105-F124 HydrophobicContact CZ-CD2 4.35Å; A120-F124 VanDerWaalsContact O-CB 3.28Å; A120-F124 WeakPolarHBondContact O-CB 3.46Å; A120-F124 PolarHBondContact O-N 3.17Å; L121-F124 PolarHBondContact O-N 2.97Å; Q122-F124 PolarHBondContact O-N 3.01Å; F124-M127 HydrophobicContact CD2-CE 4.26Å; F124-M127 PolarHBondContact O-N 3.3Å; F124-K128 HydrophobicContact CE1-CD 4.46Å; F124-K128 WeakPolarHBondContact O-CB 3.36Å; F124-K128 PolarHBondContact O-N 3.02Å; F124-L186 HydrophobicContact CB-CD1 4.33Å; F124-S189 VanDerWaalsContact CE1-CB 3.48Å; F124-S189 WeakPolarHBondContact CZ-O 3.32Å; F124-V190 HydrophobicContact CD2-CG2 3.94Å; F124-V190 HydrophobicContact CE2-CB 4.47Å; F124-V190 HydrophobicContact CE2-CG2 3.84Å; F124-E193 HydrophobicContact CE2-CG 4.22Å; F124-E193 HydrophobicContact CZ-CG 3.56Å
125W90.9Very high86.5Confident7 Ų759.9 Ų59.93%0.02732%0.316CS..Hα-helixtrans-70.3-33.5180-77.2100.6000112.3L121 Q122 E123 K128 L129 L135 A139 V141 L159 P160 S189L121-W125 VanDerWaalsContact O-CD1 3.32Å; L121-W125 PolarHBondContact O-N 3Å; Q122-W125 PolarHBondContact O-N 3.41Å; E123-W125 PolarHBondContact O-N 3.5Å; W125-K128 HydrophobicContact CE3-CD 3.94Å; W125-K128 HydrophobicContact CZ3-CD 3.82Å; W125-K128 PolarHBondContact O-N 3.01Å; W125-L129 PolarHBondContact O-N 3.32Å; W125-L135 HydrophobicContact CE3-CD1 4.19Å; W125-L135 HydrophobicContact CE3-CD2 4.35Å; W125-L135 HydrophobicContact CZ3-CD2 4.04Å; W125-A139 HydrophobicContact CB-CB 4.28Å; W125-A139 WeakPolarHBondContact O-CB 3.46Å; W125-V141 HydrophobicContact CB-CG2 4.27Å; W125-V141 HydrophobicContact CG-CG2 4.1Å; W125-L159 HydrophobicContact CZ2-CB 3.91Å; W125-L159 HydrophobicContact CZ2-CD1 3.88Å; W125-L159 HydrophobicContact CZ2-CG 4.33Å; W125-P160 HydrophobicContact CB-CG 4.26Å; W125-P160 HydrophobicContact CD2-CB 4.29Å; W125-P160 HydrophobicContact CD2-CG 3.79Å; W125-P160 HydrophobicContact CE3-CB 3.66Å; W125-P160 HydrophobicContact CE3-CG 3.63Å; W125-P160 HydrophobicContact CG-CG 4.05Å; W125-P160 WeakPolarHBondContact CH2-O 3.28Å; W125-P160 HydrophobicContact CZ3-CB 3.79Å; W125-P160 HydrophobicContact CZ3-CG 4.22Å; W125-S189 PolarHBondContact NE1-OG 3.34Å
126Q90.3Very high86.7Confident92 Ų9266.8 Ų66.843%0.4334%0.338SS..Hα-helixtrans-64.9-45.4174.1-17060.654.900111.6Q122 E123 K128 L129 T130Q122-Q126 WeakPolarHBondContact O-CB 3.49Å; Q122-Q126 PolarHBondContact O-N 3.46Å; E123-Q126 PolarHBondContact O-N 3.31Å; Q126-K128 VanDerWaalsContact C-N 3.28Å; Q126-K128 PolarHBondContact O-N 2.9Å; Q126-L129 WeakPolarHBondContact O-CB 3.26Å; Q126-L129 PolarHBondContact O-N 3.3Å; Q126-T130 PolarHBondContact O-N 3.44Å; Q126-T130 PolarHBondContact O-OG1 3.35Å
127M87.9Confident85.9Confident66 Ų6671 Ų7133%0.32536%0.36SS..Hα-helixtrans-58.9-41.9174177.7-170.464.600111.1E123 F124 T130 R131E123-M127 VanDerWaalsContact O-CB 3.31Å; E123-M127 WeakPolarHBondContact O-CB 3.34Å; E123-M127 PolarHBondContact O-N 3.41Å; F124-M127 HydrophobicContact CD2-CE 4.26Å; F124-M127 PolarHBondContact O-N 3.3Å; M127-T130 PolarHBondContact O-N 3.33Å; M127-R131 WeakPolarHBondContact O-CG 3.48Å; M127-R131 PolarHBondContact O-N 2.85Å
128K85.8Confident85.5Confident36 Ų3671.8 Ų71.816%0.15737%0.37CS..Hα-helixtrans-61.7-42.4177.9-176.7166.4176170.80111.9F124 W125 Q126 R131 A133 E193F124-K128 HydrophobicContact CE1-CD 4.46Å; F124-K128 WeakPolarHBondContact O-CB 3.36Å; F124-K128 PolarHBondContact O-N 3.02Å; W125-K128 HydrophobicContact CE3-CD 3.94Å; W125-K128 HydrophobicContact CZ3-CD 3.82Å; W125-K128 PolarHBondContact O-N 3.01Å; Q126-K128 VanDerWaalsContact C-N 3.28Å; Q126-K128 PolarHBondContact O-N 2.9Å; K128-R131 PolarHBondContact O-N 3.4Å; K128-A133 HydrophobicContact CD-CB 4.38Å; K128-A133 HydrophobicContact CG-CB 3.5Å; K128-A133 VanDerWaalsContact O-CB 3.25Å; K128-A133 WeakPolarHBondContact O-CB 3.34Å; K128-A133 PolarHBondContact O-N 3.5Å; K128-E193 VanDerWaalsContact CE-OE1 3.27Å; K128-E193 WeakPolarHBondContact CE-OE1 3.47Å; K128-E193 IonicContact NZ-OE1 3.77Å; K128-E193 PolarHBondContact NZ-OE1 3.36Å
129L87.4Confident85.1Confident59 Ų5971 Ų7131%0.30937%0.366SS..Hα-helixtrans-62.2-46.5173.2-177.962.4000112.1W125 Q126 R131 G132 L135 A139W125-L129 PolarHBondContact O-N 3.32Å; Q126-L129 WeakPolarHBondContact O-CB 3.26Å; Q126-L129 PolarHBondContact O-N 3.3Å; L129-R131 PolarHBondContact O-N 2.98Å; L129-G132 PolarHBondContact O-N 3.19Å; L129-L135 HydrophobicContact CB-CD1 3.94Å; L129-L135 HydrophobicContact CD1-CB 4.2Å; L129-L135 HydrophobicContact CD1-CD1 4.19Å; L129-L135 HydrophobicContact CD1-CG 4.27Å; L129-A139 HydrophobicContact CB-CB 3.95Å; L129-A139 HydrophobicContact CD2-CB 3.87Å
130T87.9Confident85.1Confident115 Ų11571.1 Ų71.171%0.70637%0.37SS*.Hα-helixtrans-61.5-27.6178.2-57.10000112.7Q126 M127 G132Q126-T130 PolarHBondContact O-N 3.44Å; Q126-T130 PolarHBondContact O-OG1 3.35Å; M127-T130 PolarHBondContact O-N 3.33Å; T130-G132 PolarHBondContact O-N 2.96Å
131R86.9Confident85.2Confident195 Ų19571.3 Ų71.374%0.73637%0.37SS*.THydrogen-bonded Turntrans-79.94.4173.9-70.6176.6178.3-170.30.4114M127 K128 L129M127-R131 WeakPolarHBondContact O-CG 3.48Å; M127-R131 PolarHBondContact O-N 2.85Å; K128-R131 PolarHBondContact O-N 3.4Å; L129-R131 PolarHBondContact O-N 2.98Å
132G81.9Confident85.3Confident66 Ų6674.9 Ų74.968%0.6839%0.392SS*.THydrogen-bonded Turntrans8820.917500000114.7L129 T130 D134L129-G132 PolarHBondContact O-N 3.19Å; T130-G132 PolarHBondContact O-N 2.96Å; G132-D134 PolarHBondContact O-N 3.15Å
133A81.4Confident85.5Confident28 Ų2874.2 Ų74.223%0.23139%0.387CS..  trans-64.5134170.400000110.8K128 L135K128-A133 HydrophobicContact CD-CB 4.38Å; K128-A133 HydrophobicContact CG-CB 3.5Å; K128-A133 VanDerWaalsContact O-CB 3.25Å; K128-A133 WeakPolarHBondContact O-CB 3.34Å; K128-A133 PolarHBondContact O-N 3.5Å; A133-L135 HydrophobicContact CB-CD2 4.25Å; A133-L135 HydrophobicContact CB-CG 4.21Å; A133-L135 PolarHBondContact O-N 2.99Å
134D77.3Confident85.8Confident143 Ų14373.7 Ų73.777%0.76539%0.385SS*.  trans-74.988.6176-176.117.5000110.2G132G132-D134 PolarHBondContact O-N 3.15Å
135L80.9Confident86.1Confident25 Ų2576 Ų7613%0.13140%0.396CS..  trans-104.494.6175.5-52.1-177.9000108.8W125 L129 A133 N137 G138 A139 P160W125-L135 HydrophobicContact CE3-CD1 4.19Å; W125-L135 HydrophobicContact CE3-CD2 4.35Å; W125-L135 HydrophobicContact CZ3-CD2 4.04Å; L129-L135 HydrophobicContact CB-CD1 3.94Å; L129-L135 HydrophobicContact CD1-CB 4.2Å; L129-L135 HydrophobicContact CD1-CD1 4.19Å; L129-L135 HydrophobicContact CD1-CG 4.27Å; A133-L135 HydrophobicContact CB-CD2 4.25Å; A133-L135 HydrophobicContact CB-CG 4.21Å; A133-L135 PolarHBondContact O-N 2.99Å; L135-N137 PolarHBondContact O-N 3.45Å; L135-G138 WeakPolarHBondContact CB-O 3.38Å; L135-G138 PolarHBondContact O-N 3.34Å; L135-A139 HydrophobicContact CD1-CB 4.14Å; L135-P160 HydrophobicContact CD1-CB 4.06Å; L135-P160 HydrophobicContact CD1-CG 4.48Å; L135-P160 HydrophobicContact CD2-CB 4.01Å; L135-P160 HydrophobicContact CG-CB 4.46Å
136R67.9Low86.4Confident187 Ų18778 Ų7871%0.70641%0.41SS*.THydrogen-bonded Turntrans-48.2-34.7-178.3-68.6-172.8176.6-174.30.8114.2
137N69.5Low86.5Confident156 Ų15679.7 Ų79.783%0.83443%0.428SS*.THydrogen-bonded Turntrans-109.920.3-178.8-61.1-7.1000113L135L135-N137 PolarHBondContact O-N 3.45Å
138G80.8Confident86.8Confident25 Ų2578.5 Ų78.526%0.25843%0.426SS..THydrogen-bonded Turntrans71.3-169.7-17500000113.9L135 L140L135-G138 WeakPolarHBondContact CB-O 3.38Å; L135-G138 PolarHBondContact O-N 3.34Å; G138-L140 VanDerWaalsContact C-N 3.27Å; G138-L140 PolarHBondContact O-N 2.88Å
139A85.1Confident87.2Confident6 Ų684.7 Ų84.75%0.0546%0.461CS..THydrogen-bonded Turntrans-8714.1-176.400000114.2Q122 W125 L129 L135 V141Q122-A139 PolarHBondContact NE2-O 3.29Å; W125-A139 HydrophobicContact CB-CB 4.28Å; W125-A139 WeakPolarHBondContact O-CB 3.46Å; L129-A139 HydrophobicContact CB-CB 3.95Å; L129-A139 HydrophobicContact CD2-CB 3.87Å; L135-A139 HydrophobicContact CD1-CB 4.14Å; A139-V141 PolarHBondContact O-N 3.42Å
140L88.8Confident87.6Confident114 Ų11485.3 Ų85.360%0.59747%0.471SS*.PPolyproline II helixtrans-72.1123.9-171.3-176.763.6000111G138 V142G138-L140 VanDerWaalsContact C-N 3.27Å; G138-L140 PolarHBondContact O-N 2.88Å; L140-V142 HydrophobicContact CD2-CG2 4.28Å; L140-V142 HydrophobicContact CG-CG2 4.24Å
141V93.8Very high87.8Confident7 Ų782.9 Ų82.94%0.04246%0.457CS..PPolyproline II helixtrans-94.7118.4171.3179.40000108.5L121 W125 A139 Y143 V157 L159L121-V141 HydrophobicContact CD2-CG1 3.92Å; L121-V141 HydrophobicContact CG-CG1 4.29Å; L121-V141 HydrophobicContact CG-CG2 4.23Å; W125-V141 HydrophobicContact CB-CG2 4.27Å; W125-V141 HydrophobicContact CG-CG2 4.1Å; A139-V141 PolarHBondContact O-N 3.42Å; V141-Y143 HydrophobicContact CB-CE2 4.37Å; V141-Y143 HydrophobicContact CG1-CD2 4.43Å; V141-Y143 HydrophobicContact CG1-CE2 3.76Å; V141-V157 HydrophobicContact CG1-CG2 3.32Å; V141-L159 HydrophobicContact CG1-CD2 4.1Å; V141-L159 HydrophobicContact CG2-CD2 4.32Å
142V95Very high88.2Confident76 Ų7677 Ų7746%0.46144%0.444SS..EExtended strand (participates in β ladder)trans-95.8132.3-175.1-178.50000109.6L140 V157 S158L140-V142 HydrophobicContact CD2-CG2 4.28Å; L140-V142 HydrophobicContact CG-CG2 4.24Å; V142-V157 CarbonylContact O-C 3.22Å; V142-V157 VanDerWaalsContact O-CA 3.27Å; V142-V157 WeakPolarHBondContact O-CA 3.36Å; V142-S158 PolarHBondContact N-O 3.39Å; V142-S158 PolarHBondContact O-N 2.99Å
143Y96.4Very high88.9Confident46 Ų4675.6 Ų75.618%0.1842%0.418CS..EExtended strand (participates in β ladder)trans-113.2129.4174.9-67.2-91.4000110V118 V141 Y156 V157 R178 A182V118-Y143 HydrophobicContact CG1-CE2 4.24Å; V141-Y143 HydrophobicContact CB-CE2 4.37Å; V141-Y143 HydrophobicContact CG1-CD2 4.43Å; V141-Y143 HydrophobicContact CG1-CE2 3.76Å; Y143-Y156 WeakPolarHBondContact CA-O 3.38Å; Y143-V157 HydrophobicContact CD1-CB 3.97Å; Y143-V157 HydrophobicContact CD1-CG2 3.93Å; Y143-V157 HydrophobicContact CE1-CB 3.95Å; Y143-V157 HydrophobicContact CE1-CG2 3.63Å; Y143-V157 HydrophobicContact CE2-CG2 4.44Å; Y143-V157 HydrophobicContact CG-CG2 4.48Å; Y143-R178 HydrophobicContact CD1-CG 3.62Å; Y143-R178 HydrophobicContact CE1-CG 3.81Å; Y143-R178 HydrophobicContact CG-CG 4.22Å; Y143-A182 HydrophobicContact CE1-CB 4.11Å
144E96.6Very high89.7Confident86 Ų8675.2 Ų75.240%0.40241%0.413SS..EExtended strand (participates in β ladder)trans-118.1118.4177.9-173.8-171.2135.900108.7C155 Y156 K333E144-C155 CarbonylContact O-C 3.57Å; E144-C155 WeakPolarHBondContact O-CA 3.46Å; E144-Y156 PolarHBondContact N-O 3.39Å; E144-Y156 PolarHBondContact O-N 3.47Å; E144-K333 IonicContact OE1-NZ 3.35Å; E144-K333 PolarHBondContact OE1-NZ 3.03Å; E144-K333 IonicContact OE2-NZ 2.68Å; E144-K333 PolarHBondContact OE2-NZ 3.28Å
145M96.4Very high90.7Very high61 Ų6168.4 Ų68.430%0.338%0.376SS..EExtended strand (participates in β ladder)trans-93.2125.7175.1-75-61.4-45.900109.4P147 V154 C155 K174 A177M145-P147 WeakPolarHBondContact O-CD 3.32Å; M145-V154 WeakPolarHBondContact CE-O 3.09Å; M145-C155 HydrophobicContact CE-CB 4.33Å; M145-C155 HydrophobicContact SD-CB 3.46Å; M145-C155 WeakPolarHBondContact SD-CB 3.38Å; M145-K174 HydrophobicContact CE-CB 3.88Å; M145-K174 HydrophobicContact CE-CD 4.45Å; M145-K174 HydrophobicContact CE-CG 3.88Å; M145-A177 HydrophobicContact CE-CB 4.16Å
146V95.4Very high91.5Very high50 Ų5068.1 Ų68.130%0.30337%0.374SS..PPolyproline II helixtrans-65.3127.5171.8-179.70000108.7S148 V154 Y156V146-S148 PolarHBondContact O-N 2.96Å; V146-S148 VanDerWaalsContact O-N 3.15Å; V146-V154 HydrophobicContact CB-CB 4.08Å; V146-V154 HydrophobicContact CG2-CB 3.77Å; V146-V154 HydrophobicContact CG2-CG1 3.79Å; V146-V154 PolarHBondContact N-O 3.03Å; V146-Y156 HydrophobicContact CG2-CD2 4.01Å; V146-Y156 HydrophobicContact CG2-CE2 3.47Å; V146-Y156 VanDerWaalsContact CG2-CE2 3.47Å
147P94.4Very high92.9Very high127 Ų12759.2 Ų59.283%0.82534%0.34SS*.PPolyproline II helixtrans-59.6118.5176.9-24.134.4000110.9M145M145-P147 WeakPolarHBondContact O-CD 3.32Å
148S94.2Very high94.1Very high40 Ų4053.6 Ų53.628%0.2831%0.313SS..  trans-153.9144.5172.5-177.20000110.7V146 S150V146-S148 PolarHBondContact O-N 2.96Å; V146-S148 VanDerWaalsContact O-N 3.15Å; S148-S150 PolarHBondContact OG-N 3.38Å; S148-S150 PolarHBondContact OG-O 3.29Å
149N93.5Very high94.6Very high167 Ų16752.7 Ų52.789%0.89330%0.302SS*.SBendtrans-92.5-10.1175.7-66.4-27000112.8
150S94.9Very high94.8Very high72 Ų7253.1 Ų53.150%0.50330%0.304SS..SBendtrans-145.8156.7-178.163.30000111.7S148S148-S150 PolarHBondContact OG-N 3.38Å; S148-S150 PolarHBondContact OG-O 3.29Å
151P92.9Very high94.4Very high64 Ų6450.5 Ų50.542%0.41631%0.305SS..SBendtrans-66.7156.717628.6-35.9000112.1Y153 F170P151-Y153 HydrophobicContact CB-CD2 4.23Å; P151-Y153 HydrophobicContact CB-CE2 4.14Å; P151-F170 HydrophobicContact CB-CZ 4.2Å
152P94.8Very high94.1Very high72 Ų7251.1 Ų51.147%0.46831%0.313SS..SBendcis-76.3136.22.629.6-33.5000113.2F170P152-F170 HydrophobicContact CB-CD2 3.79Å; P152-F170 HydrophobicContact CB-CE2 3.87Å; P152-F170 HydrophobicContact CG-CD2 4.42Å; P152-F170 HydrophobicContact CG-CE2 4.38Å
153Y97.4Very high93.9Very high36 Ų3647.7 Ų47.714%0.14129%0.292CS..PPolyproline II helixtrans-84.4140.1172.6-63.1-75.4000110.8P151 C171 P172 T173 K174 A177P151-Y153 HydrophobicContact CB-CD2 4.23Å; P151-Y153 HydrophobicContact CB-CE2 4.14Å; Y153-C171 PolarHBondContact N-O 2.91Å; Y153-C171 WeakPolarHBondContact O-CB 3.44Å; Y153-P172 WeakPolarHBondContact CD2-O 3.48Å; Y153-P172 WeakPolarHBondContact CE2-O 3.33Å; Y153-T173 VanDerWaalsContact CD2-C 3.41Å; Y153-T173 VanDerWaalsContact CD2-CA 3.5Å; Y153-K174 HydrophobicContact CD1-CD 4.48Å; Y153-K174 HydrophobicContact CD1-CG 3.6Å; Y153-K174 HydrophobicContact CD2-CG 4.39Å; Y153-K174 HydrophobicContact CE1-CD 4.5Å; Y153-K174 HydrophobicContact CE1-CG 3.87Å; Y153-K174 HydrophobicContact CG-CG 3.88Å; Y153-A177 WeakPolarHBondContact O-CB 3.25Å
154V97.4Very high93.9Very high19 Ų1945.7 Ų45.712%0.11529%0.285CS..  trans-118.3134.4178.2178.30000109.8M145 V146 Y156 S167M145-V154 WeakPolarHBondContact CE-O 3.09Å; V146-V154 HydrophobicContact CB-CB 4.08Å; V146-V154 HydrophobicContact CG2-CB 3.77Å; V146-V154 HydrophobicContact CG2-CG1 3.79Å; V146-V154 PolarHBondContact N-O 3.03Å; V154-Y156 HydrophobicContact CG1-CE1 4.26Å; V154-Y156 HydrophobicContact CG1-CE2 3.96Å; V154-S167 WeakPolarHBondContact CA-OG 3.3Å
155C97.8Very high93.8Very high0 Ų041.7 Ų41.70%027%0.266CS..EExtended strand (participates in β ladder)trans-126.7132.9173.8-172.60000109.1E144 M145 G166 S167 A177 A181E144-C155 CarbonylContact O-C 3.57Å; E144-C155 WeakPolarHBondContact O-CA 3.46Å; M145-C155 HydrophobicContact CE-CB 4.33Å; M145-C155 HydrophobicContact SD-CB 3.46Å; M145-C155 WeakPolarHBondContact SD-CB 3.38Å; C155-G166 CarbonylContact O-C 3.51Å; C155-G166 VanDerWaalsContact O-CA 3.25Å; C155-G166 WeakPolarHBondContact O-CA 3.25Å; C155-S167 PolarHBondContact N-OG 3.12Å; C155-S167 VanDerWaalsContact N-OG 3.17Å; C155-S167 PolarHBondContact O-N 3.42Å; C155-A177 HydrophobicContact CB-CB 3.84Å; C155-A181 HydrophobicContact CB-CB 4.21Å; C155-A181 WeakPolarHBondContact O-CB 3.27Å
156Y97.9Very high93.8Very high20 Ų2039 Ų398%0.07825%0.253CS..EExtended strand (participates in β ladder)trans-101.3148.9166.3-58.8-71.3000109.8Y143 E144 V146 V154 F165 L319 R323 L329Y143-Y156 WeakPolarHBondContact CA-O 3.38Å; E144-Y156 PolarHBondContact N-O 3.39Å; E144-Y156 PolarHBondContact O-N 3.47Å; V146-Y156 HydrophobicContact CG2-CD2 4.01Å; V146-Y156 HydrophobicContact CG2-CE2 3.47Å; V146-Y156 VanDerWaalsContact CG2-CE2 3.47Å; V154-Y156 HydrophobicContact CG1-CE1 4.26Å; V154-Y156 HydrophobicContact CG1-CE2 3.96Å; Y156-F165 CarbonylContact C-O 3.6Å; Y156-F165 VanDerWaalsContact CA-O 3.31Å; Y156-F165 WeakPolarHBondContact CA-O 3.4Å; Y156-L319 HydrophobicContact CE1-CD1 4.36Å; Y156-R323 HydrophobicContact CE1-CG 4.37Å; Y156-L329 HydrophobicContact CD1-CD1 3.78Å; Y156-L329 HydrophobicContact CE1-CD1 3.76Å
157V97.1Very high93.8Very high0 Ų036.6 Ų36.60%024%0.239CC..EExtended strand (participates in β ladder)trans-129.7125.617561.70000108.8L121 V141 V142 Y143 L159 C164 F165 A181 A185L121-V157 HydrophobicContact CD2-CG2 4.22Å; V141-V157 HydrophobicContact CG1-CG2 3.32Å; V142-V157 CarbonylContact O-C 3.22Å; V142-V157 VanDerWaalsContact O-CA 3.27Å; V142-V157 WeakPolarHBondContact O-CA 3.36Å; Y143-V157 HydrophobicContact CD1-CB 3.97Å; Y143-V157 HydrophobicContact CD1-CG2 3.93Å; Y143-V157 HydrophobicContact CE1-CB 3.95Å; Y143-V157 HydrophobicContact CE1-CG2 3.63Å; Y143-V157 HydrophobicContact CE2-CG2 4.44Å; Y143-V157 HydrophobicContact CG-CG2 4.48Å; V157-L159 HydrophobicContact CG2-CD2 4.46Å; V157-C164 CarbonylContact O-C 3.55Å; V157-C164 WeakPolarHBondContact O-CA 3.48Å; V157-F165 HydrophobicContact CG1-CB 3.93Å; V157-F165 PolarHBondContact N-O 3.41Å; V157-F165 PolarHBondContact O-N 2.87Å; V157-A181 HydrophobicContact CB-CB 4.22Å; V157-A181 HydrophobicContact CG1-CB 3.88Å; V157-A185 HydrophobicContact CG1-CB 3.46Å; V157-A185 VanDerWaalsContact CG1-CB 3.46Å; V157-A185 HydrophobicContact CG2-CB 4.4Å
158S94.6Very high93.7Very high37 Ų3731 Ų3126%0.25920%0.202SC..EExtended strand (participates in β ladder)trans-108.6125.8176.5-60.50000109.1V142 S163V142-S158 PolarHBondContact N-O 3.39Å; V142-S158 PolarHBondContact O-N 2.99Å; S158-S163 WeakPolarHBondContact CA-O 3.34Å
159L92.3Very high93.5Very high7 Ų732.3 Ų32.34%0.03720%0.204CC..  trans-89157.2-178.6-60.9-177.8000110.9L121 W125 V141 V157 G161 G162 S163 F165 A185 S189L121-L159 HydrophobicContact CD1-CD2 4.05Å; L121-L159 HydrophobicContact CD2-CD2 4.16Å; L121-L159 HydrophobicContact CG-CD2 4.46Å; W125-L159 HydrophobicContact CZ2-CB 3.91Å; W125-L159 HydrophobicContact CZ2-CD1 3.88Å; W125-L159 HydrophobicContact CZ2-CG 4.33Å; V141-L159 HydrophobicContact CG1-CD2 4.1Å; V141-L159 HydrophobicContact CG2-CD2 4.32Å; V157-L159 HydrophobicContact CG2-CD2 4.46Å; L159-G161 PolarHBondContact O-N 2.85Å; L159-G162 VanDerWaalsContact O-CA 3.27Å; L159-G162 WeakPolarHBondContact O-CA 3.23Å; L159-G162 PolarHBondContact O-N 3.41Å; L159-S163 PolarHBondContact N-O 3.41Å; L159-F165 HydrophobicContact CD1-CD2 4.07Å; L159-F165 HydrophobicContact CD1-CE2 3.68Å; L159-F165 HydrophobicContact CG-CD2 4.47Å; L159-F165 HydrophobicContact CG-CE2 4.46Å; L159-A185 HydrophobicContact CD1-CB 4.33Å; L159-A185 HydrophobicContact CD2-CB 4.01Å; L159-A185 HydrophobicContact CG-CB 4.42Å; L159-S189 WeakPolarHBondContact CD1-OG 3.39Å
160P88.4Confident93.5Very high14 Ų1430.7 Ų30.79%0.09119%0.189CC..THydrogen-bonded Turntrans-52.8134.3164.2-25.334.5000111.2W125 L135 G162W125-P160 HydrophobicContact CB-CG 4.26Å; W125-P160 HydrophobicContact CD2-CB 4.29Å; W125-P160 HydrophobicContact CD2-CG 3.79Å; W125-P160 HydrophobicContact CE3-CB 3.66Å; W125-P160 HydrophobicContact CE3-CG 3.63Å; W125-P160 HydrophobicContact CG-CG 4.05Å; W125-P160 WeakPolarHBondContact CH2-O 3.28Å; W125-P160 HydrophobicContact CZ3-CB 3.79Å; W125-P160 HydrophobicContact CZ3-CG 4.22Å; L135-P160 HydrophobicContact CD1-CB 4.06Å; L135-P160 HydrophobicContact CD1-CG 4.48Å; L135-P160 HydrophobicContact CD2-CB 4.01Å; L135-P160 HydrophobicContact CG-CB 4.46Å; P160-G162 VanDerWaalsContact C-N 3.26Å
161G82.1Confident93.5Very high59 Ų5927.3 Ų27.361%0.60817%0.165SC*.THydrogen-bonded Turntrans88-10.9-170.200000113.9L159 R330L159-G161 PolarHBondContact O-N 2.85Å; G161-R330 PolarHBondContact O-NH1 3.39Å
162G87.6Confident93.6Very high20 Ų2026.9 Ų26.921%0.20616%0.162CC..SBendtrans96.8-1.3159.700000117L159 P160 C164 R330L159-G162 VanDerWaalsContact O-CA 3.27Å; L159-G162 WeakPolarHBondContact O-CA 3.23Å; L159-G162 PolarHBondContact O-N 3.41Å; P160-G162 VanDerWaalsContact C-N 3.26Å; G162-C164 PolarHBondContact O-N 3.08Å; G162-R330 VanDerWaalsContact CA-CZ 3.45Å; G162-R330 WeakPolarHBondContact O-CD 3.48Å; G162-R330 WeakPolarHBondContact O-CG 3.45Å; G162-R330 PolarHBondContact O-NE 3.12Å
163S90.5Very high93.7Very high5 Ų526.2 Ų26.24%0.03516%0.157CC..  trans-53.9140.8169.4-57.80000111.3S158 L159 L245 E328S158-S163 WeakPolarHBondContact CA-O 3.34Å; L159-S163 PolarHBondContact N-O 3.41Å; S163-L245 WeakPolarHBondContact OG-CD2 3.38Å; S163-E328 WeakPolarHBondContact CA-OE1 3.31Å
164C94.9Very high93.7Very high3 Ų329.9 Ų29.92%0.0217%0.174CC..EExtended strand (participates in β ladder)trans-125.9137.8-174.6-167.90000111V157 G162 E328 L329 R330V157-C164 CarbonylContact O-C 3.55Å; V157-C164 WeakPolarHBondContact O-CA 3.48Å; G162-C164 PolarHBondContact O-N 3.08Å; C164-E328 PolarHBondContact N-OE1 3.3Å; C164-L329 HydrophobicContact CB-CB 4.25Å; C164-L329 PolarHBondContact O-N 3.32Å; C164-R330 HydrophobicContact CB-CB 4.07Å
165F95.8Very high93.6Very high3 Ų331.8 Ų31.81%0.01319%0.192CC..EExtended strand (participates in β ladder)trans-133.9163.5175.3-58.2-81.1000109.9Y156 V157 L159 I184 A185 N188 E328Y156-F165 CarbonylContact C-O 3.6Å; Y156-F165 VanDerWaalsContact CA-O 3.31Å; Y156-F165 WeakPolarHBondContact CA-O 3.4Å; V157-F165 HydrophobicContact CG1-CB 3.93Å; V157-F165 PolarHBondContact N-O 3.41Å; V157-F165 PolarHBondContact O-N 2.87Å; L159-F165 HydrophobicContact CD1-CD2 4.07Å; L159-F165 HydrophobicContact CD1-CE2 3.68Å; L159-F165 HydrophobicContact CG-CD2 4.47Å; L159-F165 HydrophobicContact CG-CE2 4.46Å; F165-I184 HydrophobicContact CB-CB 4.4Å; F165-I184 HydrophobicContact CB-CG2 4.02Å; F165-I184 HydrophobicContact CD1-CG2 3.56Å; F165-I184 HydrophobicContact CE1-CG2 4.3Å; F165-I184 HydrophobicContact CG-CG2 3.94Å; F165-A185 HydrophobicContact CB-CB 4.31Å; F165-A185 HydrophobicContact CD2-CB 3.82Å; F165-A185 HydrophobicContact CG-CB 4.35Å; F165-N188 HydrophobicContact CE1-CB 4.08Å; F165-N188 WeakPolarHBondContact CE1-ND2 3.48Å; F165-N188 HydrophobicContact CE2-CB 3.96Å; F165-N188 HydrophobicContact CZ-CB 3.52Å; F165-E328 HydrophobicContact CE1-CB 4.31Å; F165-E328 HydrophobicContact CE1-CG 4.39Å; F165-E328 HydrophobicContact CZ-CG 4.4Å
166G96.8Very high93.4Very high3 Ų335 Ų353%0.03121%0.206CC..EExtended strand (participates in β ladder)trans-133.2163.4-179.900000112.3C155 F168 L329C155-G166 CarbonylContact O-C 3.51Å; C155-G166 VanDerWaalsContact O-CA 3.25Å; C155-G166 WeakPolarHBondContact O-CA 3.25Å; G166-F168 PolarHBondContact O-N 3.07Å; G166-L329 VanDerWaalsContact N-CD1 3.35Å
167S95.5Very high93.4Very high0 Ų034 Ų340%020%0.203CC..  trans-53.113116251.90000108.3V154 C155 S180 R323V154-S167 WeakPolarHBondContact CA-OG 3.3Å; C155-S167 PolarHBondContact N-OG 3.12Å; C155-S167 VanDerWaalsContact N-OG 3.17Å; C155-S167 PolarHBondContact O-N 3.42Å; S167-S180 WeakPolarHBondContact CA-OG 3.4Å; S167-R323 WeakPolarHBondContact O-CD 3.41Å; S167-R323 WeakPolarHBondContact O-CG 3.42Å; S167-R323 PolarHBondContact O-NH1 3.48Å
168F91.4Very high93.4Very high9 Ų939.4 Ų39.44%0.03922%0.223CC..  trans-113.62.6-170.763.5-82.2000113.1L94 K95 G166 S180 I184 R323L94-F168 HydrophobicContact CD2-CD2 3.78Å; L94-F168 HydrophobicContact CD2-CE2 4.17Å; L94-F168 HydrophobicContact CD2-CG 4.2Å; L94-F168 HydrophobicContact CG-CE2 4.42Å; K95-F168 HydrophobicContact CB-CE2 4.38Å; G166-F168 PolarHBondContact O-N 3.07Å; F168-S180 WeakPolarHBondContact CD1-OG 3.32Å; F168-S180 WeakPolarHBondContact CE1-OG 3.45Å; F168-S180 PolarHBondContact N-OG 3.16Å; F168-I184 HydrophobicContact CD1-CD1 3.52Å; F168-I184 HydrophobicContact CD1-CG1 3.23Å; F168-I184 HydrophobicContact CE1-CD1 3.42Å; F168-I184 VanDerWaalsContact CE1-CD1 3.42Å; F168-I184 HydrophobicContact CE1-CG1 3.48Å; F168-I184 VanDerWaalsContact CE1-CG1 3.48Å; F168-I184 HydrophobicContact CG-CD1 4.16Å; F168-I184 HydrophobicContact CG-CG1 4.11Å; F168-I184 HydrophobicContact CZ-CD1 3.99Å; F168-R323 WeakPolarHBondContact CB-O 3.46Å
169Q90.4Very high93.4Very high69 Ų6943.2 Ų43.232%0.32223%0.232SC..SBendtrans-135.6168.8-177.256.2169.270.600110.9C171Q169-C171 PolarHBondContact O-N 3.25Å; Q169-C171 PolarHBondContact O-SG 3.11Å
170F92.2Very high93.5Very high133 Ų13343.1 Ų43.158%0.58323%0.232SC*.  trans-59.7123.4172.1-176.6-91000110.5P151 P152 P172P151-F170 HydrophobicContact CB-CZ 4.2Å; P152-F170 HydrophobicContact CB-CD2 3.79Å; P152-F170 HydrophobicContact CB-CE2 3.87Å; P152-F170 HydrophobicContact CG-CD2 4.42Å; P152-F170 HydrophobicContact CG-CE2 4.38Å; F170-P172 HydrophobicContact CE1-CB 4.14Å
171C95.3Very high93.8Very high0 Ų042.5 Ų42.50%023%0.227CC..  trans-122.5105.2-178.4-65.20000110.2Y153 Q169 T173 E176 A177Y153-C171 PolarHBondContact N-O 2.91Å; Y153-C171 WeakPolarHBondContact O-CB 3.44Å; Q169-C171 PolarHBondContact O-N 3.25Å; Q169-C171 PolarHBondContact O-SG 3.11Å; C171-T173 VanDerWaalsContact C-N 3.25Å; C171-T173 PolarHBondContact O-N 3.24Å; C171-E176 HydrophobicContact CB-CB 4.23Å; C171-A177 HydrophobicContact CB-CB 3.86Å
172P96.1Very high94.5Very high56 Ų5639.7 Ų39.736%0.36420%0.198SC..SBendtrans-70.1-14.8178.927.1-37.9000114.4Y153 F170 E176Y153-P172 WeakPolarHBondContact CD2-O 3.48Å; Y153-P172 WeakPolarHBondContact CE2-O 3.33Å; F170-P172 HydrophobicContact CE1-CB 4.14Å; P172-E176 WeakPolarHBondContact CD-OE2 3.45Å; P172-E176 WeakPolarHBondContact CG-OE2 3.49Å
173T97Very high94.6Very high58 Ų5841.3 Ų41.336%0.35620%0.2SC..SBendtrans-133.2152.8177.668.90000112.1Y153 C171 A175 E176 A177Y153-T173 VanDerWaalsContact CD2-C 3.41Å; Y153-T173 VanDerWaalsContact CD2-CA 3.5Å; C171-T173 VanDerWaalsContact C-N 3.25Å; C171-T173 PolarHBondContact O-N 3.24Å; T173-A175 PolarHBondContact O-N 3.38Å; T173-E176 PolarHBondContact O-N 3.36Å; T173-E176 VanDerWaalsContact O-N 3.1Å; T173-E176 WeakPolarHBondContact OG1-CB 3.24Å; T173-E176 VanDerWaalsContact OG1-CG 3.3Å; T173-E176 WeakPolarHBondContact OG1-CG 3.41Å; T173-E176 PolarHBondContact OG1-N 3.19Å; T173-A177 PolarHBondContact O-N 2.96Å
174K96.3Very high94.7Very high112 Ų11241.1 Ų41.149%0.48720%0.198SC..Hα-helixtrans-57.8-37.9174.8-64.1-173.7178.1178.20112.1M145 Y153 E176 A177 R178M145-K174 HydrophobicContact CE-CB 3.88Å; M145-K174 HydrophobicContact CE-CD 4.45Å; M145-K174 HydrophobicContact CE-CG 3.88Å; Y153-K174 HydrophobicContact CD1-CD 4.48Å; Y153-K174 HydrophobicContact CD1-CG 3.6Å; Y153-K174 HydrophobicContact CD2-CG 4.39Å; Y153-K174 HydrophobicContact CE1-CD 4.5Å; Y153-K174 HydrophobicContact CE1-CG 3.87Å; Y153-K174 HydrophobicContact CG-CG 3.88Å; K174-E176 VanDerWaalsContact C-N 3.33Å; K174-E176 PolarHBondContact O-N 2.95Å; K174-A177 PolarHBondContact O-N 3.31Å; K174-R178 PolarHBondContact O-N 3.33Å
175A95.4Very high94.5Very high60 Ų6041 Ų4150%0.49620%0.197SC..Hα-helixtrans-66-34.7177.100000112.5T173 R179T173-A175 PolarHBondContact O-N 3.38Å; A175-R179 WeakPolarHBondContact O-CG 3.06Å; A175-R179 PolarHBondContact O-N 3.13Å; A175-R179 VanDerWaalsContact O-N 3.09Å; A175-R179 PolarHBondContact O-NE 3.21Å
176E94.5Very high94.3Very high66 Ų6640.9 Ų40.931%0.30820%0.197SC..Hα-helixtrans-70.4-41.5173.6-78.9174.5-14900112.6C171 P172 T173 K174 R178 R179 S180C171-E176 HydrophobicContact CB-CB 4.23Å; P172-E176 WeakPolarHBondContact CD-OE2 3.45Å; P172-E176 WeakPolarHBondContact CG-OE2 3.49Å; T173-E176 PolarHBondContact O-N 3.36Å; T173-E176 VanDerWaalsContact O-N 3.1Å; T173-E176 WeakPolarHBondContact OG1-CB 3.24Å; T173-E176 VanDerWaalsContact OG1-CG 3.3Å; T173-E176 WeakPolarHBondContact OG1-CG 3.41Å; T173-E176 PolarHBondContact OG1-N 3.19Å; K174-E176 VanDerWaalsContact C-N 3.33Å; K174-E176 PolarHBondContact O-N 2.95Å; E176-R178 VanDerWaalsContact C-N 3.33Å; E176-R178 PolarHBondContact O-N 2.9Å; E176-R179 PolarHBondContact O-N 2.96Å; E176-R179 IonicContact OE1-NH2 2.79Å; E176-S180 WeakPolarHBondContact O-CB 3.46Å; E176-S180 PolarHBondContact O-N 3.43Å
177A96.5Very high93.9Very high0 Ų041 Ų410%020%0.197CC..Hα-helixtrans-57.9-47.8174.500000111.1M145 Y153 C155 C171 T173 K174 R179 S180 A181M145-A177 HydrophobicContact CE-CB 4.16Å; Y153-A177 WeakPolarHBondContact O-CB 3.25Å; C155-A177 HydrophobicContact CB-CB 3.84Å; C171-A177 HydrophobicContact CB-CB 3.86Å; T173-A177 PolarHBondContact O-N 2.96Å; K174-A177 PolarHBondContact O-N 3.31Å; A177-R179 PolarHBondContact O-N 3.46Å; A177-S180 PolarHBondContact O-N 3.11Å; A177-A181 PolarHBondContact O-N 3.02Å
178R96.8Very high93.5Very high113 Ų11341.5 Ų41.543%0.42620%0.2SC..Hα-helixtrans-59.2-45.9176.6-171.2177.6179.2-172.1-2112.5V118 Y143 K174 E176 A181 A182V118-R178 HydrophobicContact CG2-CG 4.31Å; Y143-R178 HydrophobicContact CD1-CG 3.62Å; Y143-R178 HydrophobicContact CE1-CG 3.81Å; Y143-R178 HydrophobicContact CG-CG 4.22Å; K174-R178 PolarHBondContact O-N 3.33Å; E176-R178 VanDerWaalsContact C-N 3.33Å; E176-R178 PolarHBondContact O-N 2.9Å; R178-A181 PolarHBondContact O-N 2.74Å; R178-A182 WeakPolarHBondContact O-CB 3.31Å; R178-A182 PolarHBondContact O-N 3.29Å
179R95.1Very high93.3Very high118 Ų11841.1 Ų41.145%0.44520%0.198SC..Hα-helixtrans-64.8-38.7176.4-75.1-175.5-66.8160.1-3.1112.2V117 V118 A175 E176 A177 A182 K183V117-R179 HydrophobicContact CG2-CB 4.19Å; V117-R179 HydrophobicContact CG2-CG 4.24Å; V118-R179 HydrophobicContact CG2-CG 4.19Å; A175-R179 WeakPolarHBondContact O-CG 3.06Å; A175-R179 PolarHBondContact O-N 3.13Å; A175-R179 VanDerWaalsContact O-N 3.09Å; A175-R179 PolarHBondContact O-NE 3.21Å; E176-R179 PolarHBondContact O-N 2.96Å; E176-R179 IonicContact OE1-NH2 2.79Å; A177-R179 PolarHBondContact O-N 3.46Å; R179-A182 PolarHBondContact O-N 2.96Å; R179-K183 VanDerWaalsContact O-CG 3.32Å; R179-K183 WeakPolarHBondContact O-CG 3.36Å; R179-K183 PolarHBondContact O-N 3.15Å
180S94Very high93Very high5 Ų539.7 Ų39.74%0.03519%0.194CC..Hα-helixtrans-62.9-45.9177.5177.20000111.4S167 F168 E176 A177 K183S167-S180 WeakPolarHBondContact CA-OG 3.4Å; F168-S180 WeakPolarHBondContact CD1-OG 3.32Å; F168-S180 WeakPolarHBondContact CE1-OG 3.45Å; F168-S180 PolarHBondContact N-OG 3.16Å; E176-S180 WeakPolarHBondContact O-CB 3.46Å; E176-S180 PolarHBondContact O-N 3.43Å; A177-S180 PolarHBondContact O-N 3.11Å; S180-K183 WeakPolarHBondContact O-CB 3.31Å; S180-K183 PolarHBondContact O-N 2.93Å
181A96.3Very high92.5Very high0 Ų036 Ų360%018%0.178CC..Hα-helixtrans-62-47.9175.400000111.7C155 V157 A177 R178 K183 I184 A185C155-A181 HydrophobicContact CB-CB 4.21Å; C155-A181 WeakPolarHBondContact O-CB 3.27Å; V157-A181 HydrophobicContact CB-CB 4.22Å; V157-A181 HydrophobicContact CG1-CB 3.88Å; A177-A181 PolarHBondContact O-N 3.02Å; R178-A181 PolarHBondContact O-N 2.74Å; A181-K183 VanDerWaalsContact C-N 3.28Å; A181-K183 PolarHBondContact O-N 3.16Å; A181-I184 PolarHBondContact O-N 3.02Å; A181-A185 WeakPolarHBondContact O-CB 3.4Å; A181-A185 PolarHBondContact O-N 3.17Å; A181-A185 VanDerWaalsContact O-N 3.1Å
182A95.2Very high91.8Very high0 Ų036.5 Ų36.50%018%0.18CC..Hα-helixtrans-58.9-37178.900000113V117 V118 L121 Y143 R178 R179 A185 L186V117-A182 HydrophobicContact CG2-CB 4.19Å; V118-A182 HydrophobicContact CG2-CB 3.85Å; L121-A182 HydrophobicContact CD2-CB 4.26Å; Y143-A182 HydrophobicContact CE1-CB 4.11Å; R178-A182 WeakPolarHBondContact O-CB 3.31Å; R178-A182 PolarHBondContact O-N 3.29Å; R179-A182 PolarHBondContact O-N 2.96Å; A182-A185 PolarHBondContact O-N 3.44Å; A182-L186 VanDerWaalsContact O-CB 3.23Å; A182-L186 WeakPolarHBondContact O-CB 3.49Å; A182-L186 PolarHBondContact O-N 2.85Å
183K91.6Very high91Very high55 Ų5537.4 Ų37.424%0.23918%0.18CC..Hα-helixtrans-59.2-49.7177.3-82.9-179.9179.9-170.50112.6V98 V117 R179 S180 A181 M187V98-K183 HydrophobicContact CG1-CB 3.64Å; V98-K183 HydrophobicContact CG1-CD 4.4Å; V98-K183 HydrophobicContact CG1-CG 4.32Å; V117-K183 HydrophobicContact CB-CG 4.28Å; V117-K183 HydrophobicContact CG1-CG 4.01Å; V117-K183 HydrophobicContact CG2-CG 4.1Å; R179-K183 VanDerWaalsContact O-CG 3.32Å; R179-K183 WeakPolarHBondContact O-CG 3.36Å; R179-K183 PolarHBondContact O-N 3.15Å; S180-K183 WeakPolarHBondContact O-CB 3.31Å; S180-K183 PolarHBondContact O-N 2.93Å; A181-K183 VanDerWaalsContact C-N 3.28Å; A181-K183 PolarHBondContact O-N 3.16Å; K183-M187 WeakPolarHBondContact O-CB 3.23Å; K183-M187 PolarHBondContact O-N 3.27Å
184I90.8Very high90.1Very high0 Ų039.7 Ų39.70%019%0.186CC..Hα-helixtrans-65.2-43.8178.8-61.7-55.8000110.5L94 V98 F165 F168 A181 M187 N188L94-I184 HydrophobicContact CD1-CD1 4.25Å; L94-I184 HydrophobicContact CD2-CD1 4.18Å; L94-I184 HydrophobicContact CG-CD1 4.19Å; V98-I184 HydrophobicContact CG1-CD1 4.42Å; V98-I184 HydrophobicContact CG2-CD1 3.43Å; V98-I184 VanDerWaalsContact CG2-CD1 3.43Å; F165-I184 HydrophobicContact CB-CB 4.4Å; F165-I184 HydrophobicContact CB-CG2 4.02Å; F165-I184 HydrophobicContact CD1-CG2 3.56Å; F165-I184 HydrophobicContact CE1-CG2 4.3Å; F165-I184 HydrophobicContact CG-CG2 3.94Å; F168-I184 HydrophobicContact CD1-CD1 3.52Å; F168-I184 HydrophobicContact CD1-CG1 3.23Å; F168-I184 HydrophobicContact CE1-CD1 3.42Å; F168-I184 VanDerWaalsContact CE1-CD1 3.42Å; F168-I184 HydrophobicContact CE1-CG1 3.48Å; F168-I184 VanDerWaalsContact CE1-CG1 3.48Å; F168-I184 HydrophobicContact CG-CD1 4.16Å; F168-I184 HydrophobicContact CG-CG1 4.11Å; F168-I184 HydrophobicContact CZ-CD1 3.99Å; A181-I184 PolarHBondContact O-N 3.02Å; I184-M187 PolarHBondContact O-N 3.4Å; I184-N188 WeakPolarHBondContact CG2-ND2 3.35Å; I184-N188 PolarHBondContact O-N 3.28Å; I184-N188 PolarHBondContact O-ND2 3.47Å
185A92.6Very high89Confident0 Ų038.8 Ų38.80%019%0.192CC..Hα-helixtrans-65.7-40.5-178.700000112.3L121 V157 L159 F165 A181 A182 N188 S189L121-A185 HydrophobicContact CD2-CB 3.72Å; V157-A185 HydrophobicContact CG1-CB 3.46Å; V157-A185 VanDerWaalsContact CG1-CB 3.46Å; V157-A185 HydrophobicContact CG2-CB 4.4Å; L159-A185 HydrophobicContact CD1-CB 4.33Å; L159-A185 HydrophobicContact CD2-CB 4.01Å; L159-A185 HydrophobicContact CG-CB 4.42Å; F165-A185 HydrophobicContact CB-CB 4.31Å; F165-A185 HydrophobicContact CD2-CB 3.82Å; F165-A185 HydrophobicContact CG-CB 4.35Å; A181-A185 WeakPolarHBondContact O-CB 3.4Å; A181-A185 PolarHBondContact O-N 3.17Å; A181-A185 VanDerWaalsContact O-N 3.1Å; A182-A185 PolarHBondContact O-N 3.44Å; A185-N188 PolarHBondContact O-N 3.01Å; A185-S189 VanDerWaalsContact O-CB 3.3Å; A185-S189 WeakPolarHBondContact O-CB 3.45Å; A185-S189 PolarHBondContact O-N 3.47Å; A185-S189 PolarHBondContact O-OG 2.77Å
186L90.8Very high88.1Confident1 Ų139.8 Ų39.81%0.00520%0.195CC..Hα-helixtrans-64.7-45.1174.3179.159.6000111.7V102 A120 L121 F124 A182 N188 S189 V190V102-L186 HydrophobicContact CG2-CD2 4.35Å; A120-L186 HydrophobicContact CB-CD2 3.91Å; L121-L186 HydrophobicContact CB-CB 4.28Å; L121-L186 HydrophobicContact CB-CD1 4.43Å; L121-L186 HydrophobicContact CD1-CB 4.11Å; L121-L186 HydrophobicContact CD1-CD1 4.27Å; F124-L186 HydrophobicContact CB-CD1 4.33Å; A182-L186 VanDerWaalsContact O-CB 3.23Å; A182-L186 WeakPolarHBondContact O-CB 3.49Å; A182-L186 PolarHBondContact O-N 2.85Å; L186-N188 VanDerWaalsContact C-N 3.33Å; L186-N188 PolarHBondContact O-N 2.67Å; L186-S189 PolarHBondContact O-N 3.1Å; L186-V190 HydrophobicContact CD1-CG2 3.84Å; L186-V190 HydrophobicContact CG-CG2 4.42Å; L186-V190 WeakPolarHBondContact O-CG2 3.41Å; L186-V190 PolarHBondContact O-N 3.1Å
187M88.1Confident87.2Confident6 Ų638.7 Ų38.73%0.0319%0.188CC..Hα-helixtrans-55.6-51174.9-177.6-175.970.700110.7L94 V98 V101 K183 I184 S189 V190 F191L94-M187 HydrophobicContact CD1-CE 4.21Å; V98-M187 HydrophobicContact CB-SD 4.05Å; V98-M187 HydrophobicContact CG2-CE 3.66Å; V98-M187 HydrophobicContact CG2-SD 3.36Å; V98-M187 WeakPolarHBondContact CG2-SD 3.5Å; V101-M187 HydrophobicContact CB-CG 3.98Å; V101-M187 HydrophobicContact CG1-CB 4.37Å; V101-M187 HydrophobicContact CG1-CG 4.04Å; V101-M187 HydrophobicContact CG2-CG 3.95Å; V101-M187 HydrophobicContact CG2-SD 4.43Å; K183-M187 WeakPolarHBondContact O-CB 3.23Å; K183-M187 PolarHBondContact O-N 3.27Å; I184-M187 PolarHBondContact O-N 3.4Å; M187-S189 VanDerWaalsContact C-N 3.34Å; M187-S189 PolarHBondContact O-N 2.9Å; M187-V190 PolarHBondContact O-N 2.85Å; M187-F191 WeakPolarHBondContact O-CB 3.5Å; M187-F191 PolarHBondContact O-N 3.43Å
188N87Confident86.7Confident11 Ų1143.7 Ų43.76%0.05921%0.207CC..Hα-helixtrans-65.1-37179.6-80.5-80.3000112.4F165 I184 A185 L186 N192F165-N188 HydrophobicContact CE1-CB 4.08Å; F165-N188 WeakPolarHBondContact CE1-ND2 3.48Å; F165-N188 HydrophobicContact CE2-CB 3.96Å; F165-N188 HydrophobicContact CZ-CB 3.52Å; I184-N188 WeakPolarHBondContact CG2-ND2 3.35Å; I184-N188 PolarHBondContact O-N 3.28Å; I184-N188 PolarHBondContact O-ND2 3.47Å; A185-N188 PolarHBondContact O-N 3.01Å; L186-N188 VanDerWaalsContact C-N 3.33Å; L186-N188 PolarHBondContact O-N 2.67Å; N188-N192 WeakPolarHBondContact O-CB 3.37Å; N188-N192 PolarHBondContact O-N 3.22Å; N188-N192 VanDerWaalsContact O-N 3.13Å; N188-N192 PolarHBondContact O-ND2 3.1Å
189S87.1Confident86.4Confident1 Ų138.4 Ų38.41%0.00719%0.187CC..Hα-helixtrans-63-50.2177.7-58.20000111.2F124 W125 L159 A185 L186 M187F124-S189 VanDerWaalsContact CE1-CB 3.48Å; F124-S189 WeakPolarHBondContact CZ-O 3.32Å; W125-S189 PolarHBondContact NE1-OG 3.34Å; L159-S189 WeakPolarHBondContact CD1-OG 3.39Å; A185-S189 VanDerWaalsContact O-CB 3.3Å; A185-S189 WeakPolarHBondContact O-CB 3.45Å; A185-S189 PolarHBondContact O-N 3.47Å; A185-S189 PolarHBondContact O-OG 2.77Å; L186-S189 PolarHBondContact O-N 3.1Å; M187-S189 VanDerWaalsContact C-N 3.34Å; M187-S189 PolarHBondContact O-N 2.9Å
190V84.2Confident86.2Confident39 Ų3935.6 Ų35.624%0.23618%0.183CC..Hα-helixtrans-66.9-42.1179.6174.30000111.2V101 F105 F124 L186 M187 N192 E193V101-V190 HydrophobicContact CG1-CB 4.44Å; V101-V190 HydrophobicContact CG1-CG1 4.4Å; F105-V190 HydrophobicContact CD2-CG2 3.79Å; F105-V190 HydrophobicContact CE2-CG2 4.15Å; F105-V190 HydrophobicContact CG-CG2 4.4Å; F124-V190 HydrophobicContact CD2-CG2 3.94Å; F124-V190 HydrophobicContact CE2-CB 4.47Å; F124-V190 HydrophobicContact CE2-CG2 3.84Å; L186-V190 HydrophobicContact CD1-CG2 3.84Å; L186-V190 HydrophobicContact CG-CG2 4.42Å; L186-V190 WeakPolarHBondContact O-CG2 3.41Å; L186-V190 PolarHBondContact O-N 3.1Å; M187-V190 PolarHBondContact O-N 2.85Å; V190-N192 PolarHBondContact O-N 3.41Å; V190-E193 PolarHBondContact O-N 2.9Å
191F81.1Confident86.1Confident55 Ų5539.4 Ų39.424%0.24120%0.203CC..Hα-helixtrans-66.1-36.8-175.5-168.5-114.9000113M187 E193 H194 R197M187-F191 WeakPolarHBondContact O-CB 3.5Å; M187-F191 PolarHBondContact O-N 3.43Å; F191-E193 VanDerWaalsContact C-N 3.29Å; F191-E193 PolarHBondContact O-N 3Å; F191-H194 WeakPolarHBondContact O-CB 3.45Å; F191-H194 PolarHBondContact O-N 3.27Å; F191-R197 HydrophobicContact CD1-CG 4.49Å; F191-R197 WeakPolarHBondContact O-CG 3.46Å
192N81.4Confident85.8Confident10 Ų1044.9 Ų44.95%0.05323%0.233CC..Hα-helixtrans-76.8-11.7-179.4-78.4-70.7000114.3N188 V190 H194 M244 L245N188-N192 WeakPolarHBondContact O-CB 3.37Å; N188-N192 PolarHBondContact O-N 3.22Å; N188-N192 VanDerWaalsContact O-N 3.13Å; N188-N192 PolarHBondContact O-ND2 3.1Å; V190-N192 PolarHBondContact O-N 3.41Å; N192-H194 VanDerWaalsContact C-N 3.27Å; N192-M244 WeakPolarHBondContact OD1-CB 3.4Å; N192-L245 HydrophobicContact CB-CD1 3.55Å; N192-L245 HydrophobicContact CB-CG 3.74Å
193E79.7Confident85.6Confident75 Ų7546.7 Ų46.735%0.3524%0.24SC..THydrogen-bonded Turntrans-76.6-16.2170.8-72.2-63.5135.300113F124 K128 V190 F191F124-E193 HydrophobicContact CE2-CG 4.22Å; F124-E193 HydrophobicContact CZ-CG 3.56Å; K128-E193 VanDerWaalsContact CE-OE1 3.27Å; K128-E193 WeakPolarHBondContact CE-OE1 3.47Å; K128-E193 IonicContact NZ-OE1 3.77Å; K128-E193 PolarHBondContact NZ-OE1 3.36Å; V190-E193 PolarHBondContact O-N 2.9Å; F191-E193 VanDerWaalsContact C-N 3.29Å; F191-E193 PolarHBondContact O-N 3Å
194H76.9Confident85.6Confident107 Ų10744.2 Ų44.250%0.49523%0.23SC..SBendtrans-64.4132.7-176.6-166.2-88.2000110.5F191 N192 S196 R197F191-H194 WeakPolarHBondContact O-CB 3.45Å; F191-H194 PolarHBondContact O-N 3.27Å; N192-H194 VanDerWaalsContact C-N 3.27Å; H194-S196 PolarHBondContact CE1-OG 2.8Å; H194-S196 WeakPolarHBondContact ND1-CB 3.02Å; H194-S196 PolarHBondContact ND1-N 3.37Å; H194-S196 PolarHBondContact ND1-OG 2.96Å; H194-S196 PolarHBondContact O-N 3.01Å; H194-R197 HydrophobicContact CB-CG 4.26Å; H194-R197 WeakPolarHBondContact O-CA 3.45Å; H194-R197 WeakPolarHBondContact O-CB 3.36Å; H194-R197 PolarHBondContact O-N 3.06Å
195P74.5Confident85.6Confident92 Ų9247.1 Ų47.160%0.59724%0.243SC*.G310 helixtrans-55.7-31.1-177.5-28.335.2000114.3R197 R198P195-R197 PolarHBondContact O-N 3.25Å; P195-R198 PolarHBondContact O-N 2.93Å
196S75.2Confident85.5Confident81 Ų8153.4 Ų53.457%0.56627%0.271SS*.G310 helixtrans-70.1-5.9175.374.60000114.7H194H194-S196 PolarHBondContact CE1-OG 2.8Å; H194-S196 WeakPolarHBondContact ND1-CB 3.02Å; H194-S196 PolarHBondContact ND1-N 3.37Å; H194-S196 PolarHBondContact ND1-OG 2.96Å; H194-S196 PolarHBondContact O-N 3.01Å
197R76.8Confident85.4Confident43 Ų4353.7 Ų53.716%0.16227%0.273CS..G310 helixtrans-104.311.2176.6-61.3-59.1-172.7-167.7-1112.9L70 F191 H194 P195L70-R197 PolarHBondContact O-NH1 3.01Å; L70-R197 PolarHBondContact O-NH2 3.34Å; F191-R197 HydrophobicContact CD1-CG 4.49Å; F191-R197 WeakPolarHBondContact O-CG 3.46Å; H194-R197 HydrophobicContact CB-CG 4.26Å; H194-R197 WeakPolarHBondContact O-CA 3.45Å; H194-R197 WeakPolarHBondContact O-CB 3.36Å; H194-R197 PolarHBondContact O-N 3.06Å; P195-R197 PolarHBondContact O-N 3.25Å
198R86.6Confident85.5Confident105 Ų10553.6 Ų53.640%0.39627%0.272SS..BIsolated β-bridgetrans-80151.9166-65-175.8177.8-79.7-6.1110.1P195 T200 G241 K242P195-R198 PolarHBondContact O-N 2.93Å; R198-T200 PolarHBondContact O-N 3.33Å; R198-G241 WeakPolarHBondContact CD-O 3.48Å; R198-G241 PolarHBondContact NH1-O 3.39Å; R198-K242 WeakPolarHBondContact CA-O 3.33Å
199I89.3Confident85.5Confident2 Ų256.4 Ų56.41%0.0129%0.287CS..  trans-68.9112.4173-62.1171000108.3F203 I204 L236 N239 K240 G241 K242 F247I199-F203 HydrophobicContact CG2-CD1 4.3Å; I199-I204 HydrophobicContact CG2-CD1 4.05Å; I199-I204 HydrophobicContact CG2-CG1 3.9Å; I199-L236 HydrophobicContact CD1-CD2 4.49Å; I199-L236 HydrophobicContact CG2-CB 4.49Å; I199-N239 HydrophobicContact CD1-CB 3.95Å; I199-N239 WeakPolarHBondContact CD1-O 3.39Å; I199-K240 WeakPolarHBondContact O-CG 3.35Å; I199-G241 PolarHBondContact O-N 3.2Å; I199-K242 PolarHBondContact N-O 3.33Å; I199-F247 HydrophobicContact CD1-CB 3.66Å; I199-F247 HydrophobicContact CD1-CD1 4.26Å; I199-F247 HydrophobicContact CD1-CD2 3.91Å; I199-F247 HydrophobicContact CD1-CG 3.68Å
200T90.3Very high85.6Confident59 Ų5960.3 Ų60.336%0.36231%0.306SS..  trans-115.216417862.10000110.8R198 D202 F203 I204R198-T200 PolarHBondContact O-N 3.33Å; T200-D202 VanDerWaalsContact C-N 3.27Å; T200-D202 PolarHBondContact O-N 3.36Å; T200-F203 WeakPolarHBondContact O-CB 3.25Å; T200-F203 PolarHBondContact O-N 2.85Å; T200-F203 WeakPolarHBondContact OG1-CB 3.41Å; T200-F203 PolarHBondContact OG1-N 2.88Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.37Å; T200-I204 PolarHBondContact O-N 3.48Å
201D92.8Very high85.7Confident86 Ų8658.9 Ų58.946%0.4630%0.298SS..Hα-helixtrans-56-44.4175.7-61.8-50.4000111.8F203 I204 E205 K240D201-F203 PolarHBondContact O-N 3.02Å; D201-I204 WeakPolarHBondContact O-CB 3.46Å; D201-I204 PolarHBondContact O-N 2.91Å; D201-I204 VanDerWaalsContact O-N 3.09Å; D201-E205 PolarHBondContact O-N 2.87Å; D201-K240 VanDerWaalsContact CG-CE 3.48Å; D201-K240 WeakPolarHBondContact OD1-CE 3.35Å; D201-K240 IonicContact OD1-NZ 2.89Å; D201-K240 PolarHBondContact OD1-NZ 2.95Å; D201-K240 VanDerWaalsContact OD2-CE 3.25Å; D201-K240 WeakPolarHBondContact OD2-CE 3.36Å; D201-K240 IonicContact OD2-NZ 3.7Å; D201-K240 PolarHBondContact OD2-NZ 2.89Å
202D90.8Very high86Confident115 Ų11557 Ų5762%0.61529%0.29SS*.Hα-helixtrans-58.5-38.3176.4-68.4-8.8000112.4T200 K206T200-D202 VanDerWaalsContact C-N 3.27Å; T200-D202 PolarHBondContact O-N 3.36Å; D202-K206 WeakPolarHBondContact O-CB 3.35Å; D202-K206 WeakPolarHBondContact O-CD 3.48Å; D202-K206 VanDerWaalsContact O-CG 3.22Å; D202-K206 WeakPolarHBondContact O-CG 3.32Å; D202-K206 PolarHBondContact O-N 3.2Å; D202-K206 VanDerWaalsContact O-N 3.11Å
203F89.4Confident86.2Confident37 Ų3760.1 Ų60.116%0.16232%0.317CS..Hα-helixtrans-68.8-41.3176.6177.3-96.3000111.4L65 L70 I199 T200 D201 K206 S207 L236 M244L65-F203 HydrophobicContact CD1-CE1 4.41Å; L65-F203 HydrophobicContact CD1-CZ 3.89Å; L70-F203 HydrophobicContact CD2-CE2 3.97Å; I199-F203 HydrophobicContact CG2-CD1 4.3Å; T200-F203 WeakPolarHBondContact O-CB 3.25Å; T200-F203 PolarHBondContact O-N 2.85Å; T200-F203 WeakPolarHBondContact OG1-CB 3.41Å; T200-F203 PolarHBondContact OG1-N 2.88Å; D201-F203 PolarHBondContact O-N 3.02Å; F203-K206 PolarHBondContact O-N 3.47Å; F203-S207 WeakPolarHBondContact CE1-OG 3.47Å; F203-S207 WeakPolarHBondContact CZ-OG 3.35Å; F203-S207 VanDerWaalsContact O-CB 3.28Å; F203-S207 WeakPolarHBondContact O-CB 3.49Å; F203-S207 PolarHBondContact O-N 2.97Å; F203-S207 PolarHBondContact O-OG 3.15Å; F203-L236 HydrophobicContact CE1-CD2 4.06Å; F203-M244 HydrophobicContact CE1-CE 3.69Å; F203-M244 HydrophobicContact CE2-CE 4.13Å; F203-M244 HydrophobicContact CZ-CE 3.39Å
204I91.4Very high86.5Confident3 Ų360.8 Ų60.82%0.01533%0.33CS..Hα-helixtrans-60.7-52.8177.7-63.5172.3000109.7I199 T200 D201 K206 S207 V208 R233 L236 E237I199-I204 HydrophobicContact CG2-CD1 4.05Å; I199-I204 HydrophobicContact CG2-CG1 3.9Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.37Å; T200-I204 PolarHBondContact O-N 3.48Å; D201-I204 WeakPolarHBondContact O-CB 3.46Å; D201-I204 PolarHBondContact O-N 2.91Å; D201-I204 VanDerWaalsContact O-N 3.09Å; I204-K206 VanDerWaalsContact C-N 3.35Å; I204-K206 PolarHBondContact O-N 3.34Å; I204-S207 PolarHBondContact O-N 2.97Å; I204-V208 HydrophobicContact CG2-CG2 4.26Å; I204-V208 WeakPolarHBondContact O-CB 3.24Å; I204-V208 VanDerWaalsContact O-CG2 3.27Å; I204-V208 WeakPolarHBondContact O-CG2 3.25Å; I204-V208 PolarHBondContact O-N 3.3Å; I204-R233 HydrophobicContact CG2-CG 4.15Å; I204-L236 HydrophobicContact CD1-CB 4.27Å; I204-L236 HydrophobicContact CG1-CB 3.83Å; I204-L236 HydrophobicContact CG2-CB 4.32Å; I204-L236 HydrophobicContact CG2-CD1 4.43Å; I204-E237 HydrophobicContact CD1-CB 4.47Å; I204-E237 HydrophobicContact CD1-CG 3.9Å; I204-E237 HydrophobicContact CG2-CG 4.24Å
205E91.8Very high86.6Confident61 Ų6159.3 Ų59.329%0.28532%0.323SS..Hα-helixtrans-58.8-46-180-72.5-65.4135.600111.3D201 V208 N209 R219 R233D201-E205 PolarHBondContact O-N 2.87Å; E205-V208 PolarHBondContact O-N 2.93Å; E205-N209 WeakPolarHBondContact O-CB 3.19Å; E205-N209 PolarHBondContact O-N 3.47Å; E205-N209 PolarHBondContact O-ND2 3.35Å; E205-R219 IonicContact OE2-NH2 2.68Å; E205-R233 IonicContact OE1-CZ 3.39Å; E205-R233 IonicContact OE1-NH2 3.5Å; E205-R233 PolarHBondContact OE1-NH2 2.82Å
206K89.9Confident86.6Confident133 Ų13362.2 Ų62.258%0.57833%0.333SS*.Hα-helixtrans-60.9-48176.6-73.9171.9-174.6174.20112D202 F203 I204 V208 N209 E210D202-K206 WeakPolarHBondContact O-CB 3.35Å; D202-K206 WeakPolarHBondContact O-CD 3.48Å; D202-K206 VanDerWaalsContact O-CG 3.22Å; D202-K206 WeakPolarHBondContact O-CG 3.32Å; D202-K206 PolarHBondContact O-N 3.2Å; D202-K206 VanDerWaalsContact O-N 3.11Å; F203-K206 PolarHBondContact O-N 3.47Å; I204-K206 VanDerWaalsContact C-N 3.35Å; I204-K206 PolarHBondContact O-N 3.34Å; K206-V208 VanDerWaalsContact C-N 3.35Å; K206-V208 PolarHBondContact O-N 3.37Å; K206-N209 PolarHBondContact O-N 3.05Å; K206-E210 WeakPolarHBondContact O-CG 3.17Å; K206-E210 PolarHBondContact O-N 3.41Å
207S89.2Confident86.3Confident7 Ų759.1 Ų59.15%0.04931%0.314CS..Hα-helixtrans-64.5-38.6-178-580000112.4F203 I204 A211F203-S207 WeakPolarHBondContact CE1-OG 3.47Å; F203-S207 WeakPolarHBondContact CZ-OG 3.35Å; F203-S207 VanDerWaalsContact O-CB 3.28Å; F203-S207 WeakPolarHBondContact O-CB 3.49Å; F203-S207 PolarHBondContact O-N 2.97Å; F203-S207 PolarHBondContact O-OG 3.15Å; I204-S207 PolarHBondContact O-N 2.97Å; S207-A211 PolarHBondContact O-N 2.86Å
208V89.7Confident86.3Confident3 Ų362.2 Ų62.22%0.01833%0.334CS..Hα-helixtrans-68.8-41.5176.5171.20000110.9I204 E205 K206 A211 L212 A222 I229 R233I204-V208 HydrophobicContact CG2-CG2 4.26Å; I204-V208 WeakPolarHBondContact O-CB 3.24Å; I204-V208 VanDerWaalsContact O-CG2 3.27Å; I204-V208 WeakPolarHBondContact O-CG2 3.25Å; I204-V208 PolarHBondContact O-N 3.3Å; E205-V208 PolarHBondContact O-N 2.93Å; K206-V208 VanDerWaalsContact C-N 3.35Å; K206-V208 PolarHBondContact O-N 3.37Å; V208-A211 PolarHBondContact O-N 2.77Å; V208-L212 HydrophobicContact CG1-CD1 4.23Å; V208-L212 WeakPolarHBondContact O-CG 3.46Å; V208-L212 PolarHBondContact O-N 3.49Å; V208-A222 HydrophobicContact CG1-CB 3.62Å; V208-I229 HydrophobicContact CG1-CG2 3.99Å; V208-R233 HydrophobicContact CG2-CB 3.78Å; V208-R233 HydrophobicContact CG2-CG 4Å
209N88.1Confident85.9Confident70 Ų7064.1 Ų64.137%0.37434%0.341SS..Hα-helixtrans-64.2-39.5175.4-71.9-44.6000112.2E205 K206 A211 L212 A213E205-N209 WeakPolarHBondContact O-CB 3.19Å; E205-N209 PolarHBondContact O-N 3.47Å; E205-N209 PolarHBondContact O-ND2 3.35Å; K206-N209 PolarHBondContact O-N 3.05Å; N209-A211 VanDerWaalsContact C-N 3.34Å; N209-L212 PolarHBondContact O-N 3.23Å; N209-A213 WeakPolarHBondContact O-CB 3.41Å; N209-A213 PolarHBondContact O-N 3.42Å
210E89.3Confident85.3Confident83 Ų8371.7 Ų71.739%0.38838%0.376SS..Hα-helixtrans-61.5-41.7172.8-76.2177.2-158.600111.7S69 K206 A213 S214S69-E210 PolarHBondContact OG-OE2 2.97Å; K206-E210 WeakPolarHBondContact O-CG 3.17Å; K206-E210 PolarHBondContact O-N 3.41Å; E210-A213 PolarHBondContact O-N 3.06Å; E210-S214 WeakPolarHBondContact O-CB 3.27Å; E210-S214 PolarHBondContact O-N 2.91Å; E210-S214 PolarHBondContact O-OG 2.85Å
211A86.6Confident84.7Confident10 Ų1072.9 Ų72.98%0.08338%0.378CS..Hα-helixtrans-64.3-45.4175.400000111.8S207 V208 N209 A213 S214 F215 F232S207-A211 PolarHBondContact O-N 2.86Å; V208-A211 PolarHBondContact O-N 2.77Å; N209-A211 VanDerWaalsContact C-N 3.34Å; A211-A213 VanDerWaalsContact C-N 3.33Å; A211-A213 PolarHBondContact O-N 2.77Å; A211-S214 PolarHBondContact O-N 3.46Å; A211-F215 VanDerWaalsContact O-CD2 3.23Å; A211-F215 WeakPolarHBondContact O-CD2 3.5Å; A211-F215 PolarHBondContact O-N 3.16Å; A211-F215 VanDerWaalsContact O-N 3.08Å; A211-F232 HydrophobicContact CB-CD1 4.45Å
212L86.1Confident83.8Confident15 Ų1569 Ų698%0.07936%0.358CS..Hα-helixtrans-57.4-46.2175.4-74.6167.9000111.6V208 N209 S214 F215 N216 G217 N218 A222 I229V208-L212 HydrophobicContact CG1-CD1 4.23Å; V208-L212 WeakPolarHBondContact O-CG 3.46Å; V208-L212 PolarHBondContact O-N 3.49Å; N209-L212 PolarHBondContact O-N 3.23Å; L212-S214 VanDerWaalsContact C-N 3.31Å; L212-S214 PolarHBondContact O-N 3.21Å; L212-F215 PolarHBondContact O-N 2.88Å; L212-N216 WeakPolarHBondContact O-CA 2.95Å; L212-N216 PolarHBondContact O-N 3.02Å; L212-G217 PolarHBondContact O-N 2.64Å; L212-N218 WeakPolarHBondContact CD2-O 3.12Å; L212-A222 HydrophobicContact CD1-CB 4.04Å; L212-A222 HydrophobicContact CD2-CB 4.27Å; L212-A222 HydrophobicContact CG-CB 4.42Å; L212-I229 HydrophobicContact CD2-CD1 3.59Å; L212-I229 HydrophobicContact CD2-CG2 4.17Å; L212-I229 HydrophobicContact CG-CD1 4.18Å; L212-I229 HydrophobicContact CG-CG2 4.2Å
213A86.5Confident83.3Confident75 Ų7568.2 Ų68.262%0.6235%0.354SS*.Hα-helixtrans-62.9-38.2177.800000112.4N209 E210 A211N209-A213 WeakPolarHBondContact O-CB 3.41Å; N209-A213 PolarHBondContact O-N 3.42Å; E210-A213 PolarHBondContact O-N 3.06Å; A211-A213 VanDerWaalsContact C-N 3.33Å; A211-A213 PolarHBondContact O-N 2.77Å
214S85.7Confident82.8Confident89 Ų8969.6 Ų69.662%0.62236%0.363SS*.Hα-helixtrans-71-29.7-178.9-58.90000113.4E210 A211 L212E210-S214 WeakPolarHBondContact O-CB 3.27Å; E210-S214 PolarHBondContact O-N 2.91Å; E210-S214 PolarHBondContact O-OG 2.85Å; A211-S214 PolarHBondContact O-N 3.46Å; L212-S214 VanDerWaalsContact C-N 3.31Å; L212-S214 PolarHBondContact O-N 3.21Å
215F78.4Confident82Confident76 Ų7671.8 Ų71.833%0.33338%0.377SS..Hα-helixtrans-1077.8-177.6-67.9-70000113.8P59 P60 A211 L212 G217P59-F215 HydrophobicContact CB-CD1 3.95Å; P59-F215 HydrophobicContact CB-CE1 3.79Å; P59-F215 HydrophobicContact CB-CZ 4.43Å; P60-F215 HydrophobicContact CG-CE1 4.34Å; A211-F215 VanDerWaalsContact O-CD2 3.23Å; A211-F215 WeakPolarHBondContact O-CD2 3.5Å; A211-F215 PolarHBondContact O-N 3.16Å; A211-F215 VanDerWaalsContact O-N 3.08Å; L212-F215 PolarHBondContact O-N 2.88Å; F215-G217 PolarHBondContact O-N 3.17Å
216N75.6Confident81.3Confident153 Ų15373.6 Ų73.682%0.81839%0.389SS*.THydrogen-bonded Turntrans5134.3-171.4-65.598.4000112.8L212L212-N216 WeakPolarHBondContact O-CA 2.95Å; L212-N216 PolarHBondContact O-N 3.02Å
217G68.2Low81Confident16 Ų1668.4 Ų68.417%0.16537%0.368CS..  trans-83.2158.9-176.900000113.2L212 F215 E221L212-G217 PolarHBondContact O-N 2.64Å; F215-G217 PolarHBondContact O-N 3.17Å; G217-E221 WeakPolarHBondContact CA-OE2 3.34Å
218N76.4Confident80.6Confident109 Ų10970 Ų7058%0.58339%0.385SS*.  trans-98.8155.3177.4-74.3-6.8000111.6L212 E220 E221L212-N218 WeakPolarHBondContact CD2-O 3.12Å; N218-E220 PolarHBondContact O-N 3.09Å; N218-E220 VanDerWaalsContact O-N 3.15Å; N218-E221 VanDerWaalsContact O-CB 3.3Å; N218-E221 WeakPolarHBondContact O-CB 3.35Å; N218-E221 PolarHBondContact O-N 3.02Å
219R78.3Confident80.4Confident144 Ų14470.5 Ų70.554%0.54339%0.388SS..Hα-helixtrans-57.5-32.5-178.5-165.9168.3178.9101.93.6113.2E205 E221 A222 D223E205-R219 IonicContact OE2-NH2 2.68Å; R219-E221 PolarHBondContact O-N 3.11Å; R219-A222 WeakPolarHBondContact O-CB 3.4Å; R219-A222 PolarHBondContact O-N 3.01Å; R219-A222 VanDerWaalsContact O-N 3.1Å; R219-D223 PolarHBondContact O-N 3.25Å
220E77.4Confident80.3Confident161 Ų16167.4 Ų67.475%0.75237%0.372SS*.Hα-helixtrans-60.7-29.5173.9-65177.5176.600113.2N218 N224N218-E220 PolarHBondContact O-N 3.09Å; N218-E220 VanDerWaalsContact O-N 3.15Å; E220-N224 WeakPolarHBondContact O-CB 3.3Å; E220-N224 PolarHBondContact O-N 3.08Å
221E77.2Confident80.1Confident85 Ų8564 Ų6440%0.39736%0.359SS..Hα-helixtrans-69.6-40.1175.1-61.4-177.415900110.7G217 N218 R219 D223 N224 T227G217-E221 WeakPolarHBondContact CA-OE2 3.34Å; N218-E221 VanDerWaalsContact O-CB 3.3Å; N218-E221 WeakPolarHBondContact O-CB 3.35Å; N218-E221 PolarHBondContact O-N 3.02Å; R219-E221 PolarHBondContact O-N 3.11Å; E221-D223 VanDerWaalsContact C-N 3.27Å; E221-D223 PolarHBondContact O-N 2.89Å; E221-N224 PolarHBondContact O-N 3.11Å; E221-T227 HydrophobicContact CB-CG2 4.07Å; E221-T227 WeakPolarHBondContact O-CB 3.47Å; E221-T227 WeakPolarHBondContact O-CG2 3.35Å; E221-T227 PolarHBondContact O-OG1 3.45Å
222A75Confident80Confident4 Ų464 Ų643%0.03336%0.357CS..Hα-helixtrans-67.2-27.4178.600000113.4V208 L212 R219 I229 G230V208-A222 HydrophobicContact CG1-CB 3.62Å; L212-A222 HydrophobicContact CD1-CB 4.04Å; L212-A222 HydrophobicContact CD2-CB 4.27Å; L212-A222 HydrophobicContact CG-CB 4.42Å; R219-A222 WeakPolarHBondContact O-CB 3.4Å; R219-A222 PolarHBondContact O-N 3.01Å; R219-A222 VanDerWaalsContact O-N 3.1Å; A222-I229 HydrophobicContact CB-CG2 3.75Å; A222-G230 WeakPolarHBondContact O-CA 3.49Å
223D79.1Confident80.2Confident99 Ų9965.3 Ų65.353%0.52936%0.361SS..Hα-helixtrans-85.4-13.4176.9-65.1-32.8000112.6R219 E221 P225 R233R219-D223 PolarHBondContact O-N 3.25Å; E221-D223 VanDerWaalsContact C-N 3.27Å; E221-D223 PolarHBondContact O-N 2.89Å; D223-P225 WeakPolarHBondContact O-CD 3.48Å; D223-R233 IonicContact OD1-CZ 2.73Å; D223-R233 IonicContact OD1-NH1 2.74Å; D223-R233 PolarHBondContact OD1-NH1 3.36Å
224N79.9Confident80.2Confident66 Ų6665.8 Ų65.835%0.35335%0.349SS..  trans-94.6110.9178.2-179.8-2000111.2E220 E221 N226 T227 G230E220-N224 WeakPolarHBondContact O-CB 3.3Å; E220-N224 PolarHBondContact O-N 3.08Å; E221-N224 PolarHBondContact O-N 3.11Å; N224-N226 PolarHBondContact O-N 3.22Å; N224-N226 VanDerWaalsContact OD1-CB 3.26Å; N224-N226 WeakPolarHBondContact OD1-CB 3.23Å; N224-N226 PolarHBondContact OD1-N 3.12Å; N224-N226 PolarHBondContact OD1-ND2 3.09Å; N224-T227 HydrophobicContact CB-CG2 3.83Å; N224-T227 PolarHBondContact O-N 3.29Å; N224-T227 PolarHBondContact O-OG1 2.95Å; N224-T227 VanDerWaalsContact O-OG1 3.11Å; N224-G230 WeakPolarHBondContact O-CA 3.12Å
225P73.6Confident80.3Confident49 Ų4962.5 Ų62.532%0.31832%0.324SS..THydrogen-bonded Turntrans-64.2-13.8-178.927-35000113.4D223 T227D223-P225 WeakPolarHBondContact O-CD 3.48Å; P225-T227 VanDerWaalsContact C-N 3.29Å
226N77Confident80.9Confident98 Ų9858.9 Ų58.952%0.52431%0.308SS..THydrogen-bonded Turntrans-83.82.9174.4-58.8-53.8000113.4N224 R273N224-N226 PolarHBondContact O-N 3.22Å; N224-N226 VanDerWaalsContact OD1-CB 3.26Å; N224-N226 WeakPolarHBondContact OD1-CB 3.23Å; N224-N226 PolarHBondContact OD1-N 3.12Å; N224-N226 PolarHBondContact OD1-ND2 3.09Å; N226-R273 PolarHBondContact O-NE 3.35Å; N226-R273 VanDerWaalsContact O-NE 3.13Å; N226-R273 PolarHBondContact O-NH1 3.27Å; N226-R273 PolarHBondContact O-NH2 3.17Å
227T84Confident81.6Confident25 Ų2555.8 Ų55.815%0.15329%0.289CS..SBendtrans-102.4165.3172.379.70000111.3E221 N224 P225 I229 G230 A231 R273E221-T227 HydrophobicContact CB-CG2 4.07Å; E221-T227 WeakPolarHBondContact O-CB 3.47Å; E221-T227 WeakPolarHBondContact O-CG2 3.35Å; E221-T227 PolarHBondContact O-OG1 3.45Å; N224-T227 HydrophobicContact CB-CG2 3.83Å; N224-T227 PolarHBondContact O-N 3.29Å; N224-T227 PolarHBondContact O-OG1 2.95Å; N224-T227 VanDerWaalsContact O-OG1 3.11Å; P225-T227 VanDerWaalsContact C-N 3.29Å; T227-I229 VanDerWaalsContact C-N 3.27Å; T227-I229 PolarHBondContact OG1-N 3.34Å; T227-G230 PolarHBondContact OG1-N 2.94Å; T227-A231 WeakPolarHBondContact O-CB 3.3Å; T227-A231 PolarHBondContact O-N 2.99Å; T227-R273 PolarHBondContact O-NH1 2.85Å
228G80.1Confident82.5Confident39 Ų3958.1 Ų58.140%0.40230%0.303SS..Hα-helixtrans-66.3-37.6-17900000110.9F232G228-F232 WeakPolarHBondContact O-CB 3.47Å; G228-F232 PolarHBondContact O-N 3.15Å
229I85.8Confident83Confident15 Ų1553.4 Ų53.48%0.07728%0.277CS..Hα-helixtrans-72.4-42.1179.8-57.8-179.8000110.6V208 L212 A222 T227 F232 R233V208-I229 HydrophobicContact CG1-CG2 3.99Å; L212-I229 HydrophobicContact CD2-CD1 3.59Å; L212-I229 HydrophobicContact CD2-CG2 4.17Å; L212-I229 HydrophobicContact CG-CD1 4.18Å; L212-I229 HydrophobicContact CG-CG2 4.2Å; A222-I229 HydrophobicContact CB-CG2 3.75Å; T227-I229 VanDerWaalsContact C-N 3.27Å; T227-I229 PolarHBondContact OG1-N 3.34Å; I229-F232 WeakPolarHBondContact O-CB 3.49Å; I229-F232 PolarHBondContact O-N 3.42Å; I229-R233 PolarHBondContact O-N 3.02Å
230G85.8Confident83.7Confident4 Ų451.7 Ų51.74%0.04127%0.274CS..Hα-helixtrans-65.1-38.3174.900000112.9A222 N224 T227 R233 F234A222-G230 WeakPolarHBondContact O-CA 3.49Å; N224-G230 WeakPolarHBondContact O-CA 3.12Å; T227-G230 PolarHBondContact OG1-N 2.94Å; G230-R233 PolarHBondContact O-N 2.93Å; G230-F234 WeakPolarHBondContact O-CB 3.43Å; G230-F234 PolarHBondContact O-N 3.42Å
231A84.4Confident84.2Confident13 Ų1345.7 Ų45.711%0.10726%0.255CS..Hα-helixtrans-63.7-40.8171.700000112.1T227 F234 M235 L277T227-A231 WeakPolarHBondContact O-CB 3.3Å; T227-A231 PolarHBondContact O-N 2.99Å; A231-F234 PolarHBondContact O-N 3.41Å; A231-M235 WeakPolarHBondContact O-CG 3Å; A231-M235 PolarHBondContact O-N 2.65Å; A231-L277 HydrophobicContact CB-CD1 4.16Å
232F86.5Confident84.7Confident9 Ų945 Ų454%0.03925%0.25CS..Hα-helixtrans-62.5-44.4174.9178-120.1000112.3P62 A211 G228 I229 M235 L236P62-F232 HydrophobicContact CG-CD2 3.89Å; P62-F232 HydrophobicContact CG-CE2 3.98Å; P62-F232 HydrophobicContact CG-CG 4.26Å; P62-F232 HydrophobicContact CG-CZ 4.41Å; A211-F232 HydrophobicContact CB-CD1 4.45Å; G228-F232 WeakPolarHBondContact O-CB 3.47Å; G228-F232 PolarHBondContact O-N 3.15Å; I229-F232 WeakPolarHBondContact O-CB 3.49Å; I229-F232 PolarHBondContact O-N 3.42Å; F232-M235 HydrophobicContact CB-CE 4.39Å; F232-M235 HydrophobicContact CD2-CE 4.15Å; F232-M235 WeakPolarHBondContact O-CB 3.41Å; F232-M235 PolarHBondContact O-N 2.82Å; F232-L236 HydrophobicContact CD1-CD1 4.2Å; F232-L236 HydrophobicContact CE1-CD1 3.74Å; F232-L236 HydrophobicContact CE2-CD1 4.12Å; F232-L236 HydrophobicContact CE2-CD2 4.44Å; F232-L236 HydrophobicContact CE2-CG 4.22Å; F232-L236 HydrophobicContact CZ-CD1 3.7Å; F232-L236 HydrophobicContact CZ-CD2 4.5Å; F232-L236 HydrophobicContact CZ-CG 4.28Å; F232-L236 WeakPolarHBondContact O-CG 3.49Å; F232-L236 PolarHBondContact O-N 3.32Å; F232-L236 VanDerWaalsContact O-N 3.1Å
233R89.2Confident85.1Confident43 Ų4345 Ų4516%0.16225%0.251CS..Hα-helixtrans-57.8-51.3173.2-177.4-179.2-170.9164.611.3111.5I204 E205 V208 D223 I229 G230 M235 L236 E237I204-R233 HydrophobicContact CG2-CG 4.15Å; E205-R233 IonicContact OE1-CZ 3.39Å; E205-R233 IonicContact OE1-NH2 3.5Å; E205-R233 PolarHBondContact OE1-NH2 2.82Å; V208-R233 HydrophobicContact CG2-CB 3.78Å; V208-R233 HydrophobicContact CG2-CG 4Å; D223-R233 IonicContact OD1-CZ 2.73Å; D223-R233 IonicContact OD1-NH1 2.74Å; D223-R233 PolarHBondContact OD1-NH1 3.36Å; I229-R233 PolarHBondContact O-N 3.02Å; G230-R233 PolarHBondContact O-N 2.93Å; R233-M235 VanDerWaalsContact C-N 3.28Å; R233-M235 PolarHBondContact O-N 3.41Å; R233-L236 PolarHBondContact O-N 3.49Å; R233-E237 HydrophobicContact CG-CG 4.3Å; R233-E237 WeakPolarHBondContact CG-OE1 3.45Å; R233-E237 IonicContact CZ-OE1 2.63Å; R233-E237 IonicContact NE-OE1 2.61Å; R233-E237 PolarHBondContact NE-OE1 2.98Å; R233-E237 WeakPolarHBondContact O-CG 3.26Å; R233-E237 PolarHBondContact O-N 3.03Å
234F87Confident85.1Confident85 Ų8540.8 Ų40.837%0.37323%0.228SC..Hα-helixtrans-57.5-40.6178.8177.6-90.5000112.3G230 A231 L236 E237 S238 L277G230-F234 WeakPolarHBondContact O-CB 3.43Å; G230-F234 PolarHBondContact O-N 3.42Å; A231-F234 PolarHBondContact O-N 3.41Å; F234-L236 PolarHBondContact O-N 2.89Å; F234-E237 PolarHBondContact O-N 2.94Å; F234-S238 VanDerWaalsContact O-CB 3.31Å; F234-S238 WeakPolarHBondContact O-CB 3.33Å; F234-S238 PolarHBondContact O-N 3.18Å; F234-S238 PolarHBondContact O-OG 2.8Å; F234-L277 HydrophobicContact CD1-CD1 3.77Å; F234-L277 HydrophobicContact CE1-CB 4.4Å; F234-L277 HydrophobicContact CE1-CD1 4.28Å
235M88Confident84.9Confident19 Ų1938.4 Ų38.49%0.09422%0.215CC..Hα-helixtrans-60.9-43.5175-77.7-170.2-64.600112.1A231 F232 R233 N239 F247 M251 F254 L277A231-M235 WeakPolarHBondContact O-CG 3Å; A231-M235 PolarHBondContact O-N 2.65Å; F232-M235 HydrophobicContact CB-CE 4.39Å; F232-M235 HydrophobicContact CD2-CE 4.15Å; F232-M235 WeakPolarHBondContact O-CB 3.41Å; F232-M235 PolarHBondContact O-N 2.82Å; R233-M235 VanDerWaalsContact C-N 3.28Å; R233-M235 PolarHBondContact O-N 3.41Å; M235-N239 PolarHBondContact O-N 2.86Å; M235-N239 PolarHBondContact O-ND2 3.36Å; M235-F247 HydrophobicContact CB-CE2 4.19Å; M235-F247 HydrophobicContact CB-CZ 4.39Å; M235-M251 HydrophobicContact CE-SD 4.44Å; M235-F254 HydrophobicContact SD-CD2 4.05Å; M235-F254 HydrophobicContact SD-CE2 4.2Å; M235-F254 HydrophobicContact SD-CG 4.42Å; M235-L277 HydrophobicContact CG-CD2 3.35Å; M235-L277 HydrophobicContact SD-CD2 3.53Å; M235-L277 VanDerWaalsContact SD-CD2 3.53Å
236L89.6Confident85.2Confident0 Ų041.2 Ų41.20%022%0.224CC..Hα-helixtrans-68.1-44.5178.4-66.7168.2000111.7I199 F203 I204 F232 R233 F234 S238 N239 K240 F247I199-L236 HydrophobicContact CD1-CD2 4.49Å; I199-L236 HydrophobicContact CG2-CB 4.49Å; F203-L236 HydrophobicContact CE1-CD2 4.06Å; I204-L236 HydrophobicContact CD1-CB 4.27Å; I204-L236 HydrophobicContact CG1-CB 3.83Å; I204-L236 HydrophobicContact CG2-CB 4.32Å; I204-L236 HydrophobicContact CG2-CD1 4.43Å; F232-L236 HydrophobicContact CD1-CD1 4.2Å; F232-L236 HydrophobicContact CE1-CD1 3.74Å; F232-L236 HydrophobicContact CE2-CD1 4.12Å; F232-L236 HydrophobicContact CE2-CD2 4.44Å; F232-L236 HydrophobicContact CE2-CG 4.22Å; F232-L236 HydrophobicContact CZ-CD1 3.7Å; F232-L236 HydrophobicContact CZ-CD2 4.5Å; F232-L236 HydrophobicContact CZ-CG 4.28Å; F232-L236 WeakPolarHBondContact O-CG 3.49Å; F232-L236 PolarHBondContact O-N 3.32Å; F232-L236 VanDerWaalsContact O-N 3.1Å; R233-L236 PolarHBondContact O-N 3.49Å; F234-L236 PolarHBondContact O-N 2.89Å; L236-S238 VanDerWaalsContact C-N 3.31Å; L236-S238 PolarHBondContact O-N 3.4Å; L236-N239 CarbonylContact O-C 3.43Å; L236-N239 PolarHBondContact O-N 2.73Å; L236-K240 PolarHBondContact O-N 3.42Å; L236-F247 HydrophobicContact CD2-CD1 4.24Å; L236-F247 HydrophobicContact CD2-CE1 3.53Å; L236-F247 HydrophobicContact CD2-CE2 4.1Å; L236-F247 HydrophobicContact CD2-CZ 3.46Å; L236-F247 VanDerWaalsContact CD2-CZ 3.46Å; L236-F247 HydrophobicContact CG-CZ 4.09Å
237E90.3Very high85.6Confident88 Ų8836.6 Ų36.641%0.41120%0.199SC..Hα-helixtrans-58.9-42.6177.2-72.7175.1178.100111.6I204 R233 F234 N239 K240I204-E237 HydrophobicContact CD1-CB 4.47Å; I204-E237 HydrophobicContact CD1-CG 3.9Å; I204-E237 HydrophobicContact CG2-CG 4.24Å; R233-E237 HydrophobicContact CG-CG 4.3Å; R233-E237 WeakPolarHBondContact CG-OE1 3.45Å; R233-E237 IonicContact CZ-OE1 2.63Å; R233-E237 IonicContact NE-OE1 2.61Å; R233-E237 PolarHBondContact NE-OE1 2.98Å; R233-E237 WeakPolarHBondContact O-CG 3.26Å; R233-E237 PolarHBondContact O-N 3.03Å; F234-E237 PolarHBondContact O-N 2.94Å; E237-N239 PolarHBondContact O-N 2.86Å; E237-K240 WeakPolarHBondContact O-CB 3.24Å; E237-K240 PolarHBondContact O-N 3.42Å
238S87.9Confident85.6Confident66 Ų6637.4 Ų37.446%0.46220%0.201SC..THydrogen-bonded Turntrans-67.8-13.8177.6-58.90000113.9F234 L236F234-S238 VanDerWaalsContact O-CB 3.31Å; F234-S238 WeakPolarHBondContact O-CB 3.33Å; F234-S238 PolarHBondContact O-N 3.18Å; F234-S238 PolarHBondContact O-OG 2.8Å; L236-S238 VanDerWaalsContact C-N 3.31Å; L236-S238 PolarHBondContact O-N 3.4Å
239N87.9Confident85.8Confident9 Ų937 Ų375%0.04819%0.189CC..THydrogen-bonded Turntrans-117.318.5180-70.5-78.5000112.5I199 M235 L236 E237 G241 K242 F247 L250I199-N239 HydrophobicContact CD1-CB 3.95Å; I199-N239 WeakPolarHBondContact CD1-O 3.39Å; M235-N239 PolarHBondContact O-N 2.86Å; M235-N239 PolarHBondContact O-ND2 3.36Å; L236-N239 CarbonylContact O-C 3.43Å; L236-N239 PolarHBondContact O-N 2.73Å; E237-N239 PolarHBondContact O-N 2.86Å; N239-G241 PolarHBondContact O-N 2.8Å; N239-K242 HydrophobicContact CB-CD 4.08Å; N239-K242 VanDerWaalsContact O-CB 3.27Å; N239-K242 WeakPolarHBondContact O-CB 3.46Å; N239-K242 WeakPolarHBondContact O-CG 3.4Å; N239-K242 PolarHBondContact O-N 3.39Å; N239-K242 VanDerWaalsContact O-N 3.07Å; N239-K242 WeakPolarHBondContact OD1-CD 3.2Å; N239-K242 WeakPolarHBondContact OD1-CE 3.33Å; N239-K242 PolarHBondContact OD1-NZ 2.86Å; N239-F247 HydrophobicContact CB-CD2 3.82Å; N239-F247 HydrophobicContact CB-CE2 4.37Å; N239-L250 WeakPolarHBondContact ND2-CD2 3.46Å
240K91.5Very high85.9Confident109 Ų10937 Ų3747%0.47419%0.189SC..THydrogen-bonded Turntrans-54.8137.4176.8-169.4176.4179.4178.60111.6I199 D201 L236 E237 K242I199-K240 WeakPolarHBondContact O-CG 3.35Å; D201-K240 VanDerWaalsContact CG-CE 3.48Å; D201-K240 WeakPolarHBondContact OD1-CE 3.35Å; D201-K240 IonicContact OD1-NZ 2.89Å; D201-K240 PolarHBondContact OD1-NZ 2.95Å; D201-K240 VanDerWaalsContact OD2-CE 3.25Å; D201-K240 WeakPolarHBondContact OD2-CE 3.36Å; D201-K240 IonicContact OD2-NZ 3.7Å; D201-K240 PolarHBondContact OD2-NZ 2.89Å; L236-K240 PolarHBondContact O-N 3.42Å; E237-K240 WeakPolarHBondContact O-CB 3.24Å; E237-K240 PolarHBondContact O-N 3.42Å; K240-K242 PolarHBondContact O-N 2.91Å
241G88.1Confident86Confident34 Ų3437.4 Ų37.435%0.35119%0.19SC..THydrogen-bonded Turntrans81.3-16.1-176.800000114.8R198 I199 N239R198-G241 WeakPolarHBondContact CD-O 3.48Å; R198-G241 PolarHBondContact NH1-O 3.39Å; I199-G241 PolarHBondContact O-N 3.2Å; N239-G241 PolarHBondContact O-N 2.8Å
242K87.8Confident86.3Confident70 Ų7037 Ų3730%0.30419%0.186SC..SBendtrans-72.1155172.3-59.8-172.2-173.3171.90111.1R198 I199 N239 K240 E246R198-K242 WeakPolarHBondContact CA-O 3.33Å; I199-K242 PolarHBondContact N-O 3.33Å; N239-K242 HydrophobicContact CB-CD 4.08Å; N239-K242 VanDerWaalsContact O-CB 3.27Å; N239-K242 WeakPolarHBondContact O-CB 3.46Å; N239-K242 WeakPolarHBondContact O-CG 3.4Å; N239-K242 PolarHBondContact O-N 3.39Å; N239-K242 VanDerWaalsContact O-N 3.07Å; N239-K242 WeakPolarHBondContact OD1-CD 3.2Å; N239-K242 WeakPolarHBondContact OD1-CE 3.33Å; N239-K242 PolarHBondContact OD1-NZ 2.86Å; K240-K242 PolarHBondContact O-N 2.91Å; K242-E246 HydrophobicContact CB-CB 4.21Å; K242-E246 HydrophobicContact CD-CB 4.46Å
243S82.8Confident86.6Confident6 Ų636.6 Ų36.64%0.04218%0.184CC..BIsolated β-bridgetrans-72157.6171.167.10000111.2L245 E246 F247S243-L245 PolarHBondContact O-N 3.31Å; S243-E246 WeakPolarHBondContact CB-OE2 3.2Å; S243-E246 PolarHBondContact N-OE2 2.8Å; S243-E246 PolarHBondContact O-N 3.49Å; S243-E246 WeakPolarHBondContact OG-CG 3.4Å; S243-E246 PolarHBondContact OG-N 2.94Å; S243-E246 PolarHBondContact OG-OE2 3.26Å; S243-F247 PolarHBondContact O-N 3.32Å; S243-F247 VanDerWaalsContact O-N 3.15Å
244M79.6Confident86.7Confident10 Ų1035.5 Ų35.55%0.04918%0.18CC..Hα-helixtrans-60.2-33.9176.4-169.457.462.200112.4L65 N192 F203 F247 Q248L65-M244 HydrophobicContact CD1-CE 3.8Å; L65-M244 HydrophobicContact CD1-SD 3.64Å; N192-M244 WeakPolarHBondContact OD1-CB 3.4Å; F203-M244 HydrophobicContact CE1-CE 3.69Å; F203-M244 HydrophobicContact CE2-CE 4.13Å; F203-M244 HydrophobicContact CZ-CE 3.39Å; M244-F247 PolarHBondContact O-N 3.45Å; M244-F247 HydrophobicContact SD-CD1 4.02Å; M244-Q248 HydrophobicContact CG-CG 4.41Å; M244-Q248 WeakPolarHBondContact O-CB 3.36Å; M244-Q248 VanDerWaalsContact O-CG 3.23Å; M244-Q248 WeakPolarHBondContact O-CG 3.47Å; M244-Q248 PolarHBondContact O-N 2.83Å
245L76.3Confident87Confident15 Ų1532.1 Ų32.18%0.07917%0.166CC..Hα-helixtrans-63.9-40.7176.9-68.2172.5000112.1S163 N192 S243 F247 Q248S163-L245 WeakPolarHBondContact OG-CD2 3.38Å; N192-L245 HydrophobicContact CB-CD1 3.55Å; N192-L245 HydrophobicContact CB-CG 3.74Å; S243-L245 PolarHBondContact O-N 3.31Å; L245-F247 VanDerWaalsContact C-N 3.33Å; L245-Q248 PolarHBondContact O-N 2.9Å
246E80.1Confident87.4Confident108 Ų10831.2 Ų31.251%0.50516%0.161SC..Hα-helixtrans-66.3-38.6176.2-69.8164117.100111.3K242 S243K242-E246 HydrophobicContact CB-CB 4.21Å; K242-E246 HydrophobicContact CD-CB 4.46Å; S243-E246 WeakPolarHBondContact CB-OE2 3.2Å; S243-E246 PolarHBondContact N-OE2 2.8Å; S243-E246 PolarHBondContact O-N 3.49Å; S243-E246 WeakPolarHBondContact OG-CG 3.4Å; S243-E246 PolarHBondContact OG-N 2.94Å; S243-E246 PolarHBondContact OG-OE2 3.26Å
247F84.6Confident87.6Confident1 Ų131.4 Ų31.40%0.00416%0.162CC..Hα-helixtrans-70.5-31.5175.8-176.4-111.6000112.9I199 M235 L236 N239 S243 M244 L245 E249 L250 M251I199-F247 HydrophobicContact CD1-CB 3.66Å; I199-F247 HydrophobicContact CD1-CD1 4.26Å; I199-F247 HydrophobicContact CD1-CD2 3.91Å; I199-F247 HydrophobicContact CD1-CG 3.68Å; M235-F247 HydrophobicContact CB-CE2 4.19Å; M235-F247 HydrophobicContact CB-CZ 4.39Å; L236-F247 HydrophobicContact CD2-CD1 4.24Å; L236-F247 HydrophobicContact CD2-CE1 3.53Å; L236-F247 HydrophobicContact CD2-CE2 4.1Å; L236-F247 HydrophobicContact CD2-CZ 3.46Å; L236-F247 VanDerWaalsContact CD2-CZ 3.46Å; L236-F247 HydrophobicContact CG-CZ 4.09Å; N239-F247 HydrophobicContact CB-CD2 3.82Å; N239-F247 HydrophobicContact CB-CE2 4.37Å; S243-F247 PolarHBondContact O-N 3.32Å; S243-F247 VanDerWaalsContact O-N 3.15Å; M244-F247 PolarHBondContact O-N 3.45Å; M244-F247 HydrophobicContact SD-CD1 4.02Å; L245-F247 VanDerWaalsContact C-N 3.33Å; F247-E249 VanDerWaalsContact C-N 3.25Å; F247-E249 PolarHBondContact O-N 3.22Å; F247-L250 HydrophobicContact CE2-CD2 4.35Å; F247-L250 WeakPolarHBondContact O-CB 3.47Å; F247-L250 PolarHBondContact O-N 3.46Å; F247-M251 HydrophobicContact CD1-CG 3.77Å; F247-M251 HydrophobicContact CE1-CG 3.39Å; F247-M251 HydrophobicContact CE1-SD 3.62Å; F247-M251 HydrophobicContact CE2-CG 4.5Å; F247-M251 HydrophobicContact CE2-SD 4.42Å; F247-M251 HydrophobicContact CG-CG 4.46Å; F247-M251 HydrophobicContact CZ-CG 3.8Å; F247-M251 HydrophobicContact CZ-SD 3.54Å; F247-M251 VanDerWaalsContact CZ-SD 3.54Å; F247-M251 PolarHBondContact O-N 2.81Å
248Q84.6Confident87.7Confident42 Ų4230.3 Ų30.320%0.19616%0.157CC..Hα-helixtrans-61.9-30.4178.9-85.41758.800113.2M244 L245 M251 T252M244-Q248 HydrophobicContact CG-CG 4.41Å; M244-Q248 WeakPolarHBondContact O-CB 3.36Å; M244-Q248 VanDerWaalsContact O-CG 3.23Å; M244-Q248 WeakPolarHBondContact O-CG 3.47Å; M244-Q248 PolarHBondContact O-N 2.83Å; L245-Q248 PolarHBondContact O-N 2.9Å; Q248-M251 PolarHBondContact O-N 3.49Å; Q248-T252 WeakPolarHBondContact O-CB 3.43Å; Q248-T252 PolarHBondContact O-N 3.11Å; Q248-T252 PolarHBondContact O-OG1 3.08Å
249E84.3Confident88Confident32 Ų3229.2 Ų29.215%0.1514%0.143CC..Hα-helixtrans-61.5-49.6175.2172.764.1147.200111F247 M251 T252 V253 L285 R330F247-E249 VanDerWaalsContact C-N 3.25Å; F247-E249 PolarHBondContact O-N 3.22Å; E249-M251 VanDerWaalsContact C-N 3.3Å; E249-M251 PolarHBondContact O-N 3.14Å; E249-T252 WeakPolarHBondContact O-CB 3.23Å; E249-T252 PolarHBondContact O-N 3.41Å; E249-T252 VanDerWaalsContact O-N 3.15Å; E249-V253 PolarHBondContact O-N 3.49Å; E249-V253 VanDerWaalsContact O-N 3.09Å; E249-L285 PolarHBondContact OE1-N 3.13Å; E249-R330 VanDerWaalsContact CD-CZ 3.4Å; E249-R330 VanDerWaalsContact CD-NH1 3.33Å; E249-R330 IonicContact OE1-CZ 3.4Å; E249-R330 IonicContact OE1-NH1 2.98Å; E249-R330 IonicContact OE1-NH2 2.8Å; E249-R330 PolarHBondContact OE1-NH2 3.36Å; E249-R330 IonicContact OE2-CZ 3.74Å; E249-R330 IonicContact OE2-NE 3.76Å; E249-R330 PolarHBondContact OE2-NE 3.38Å; E249-R330 IonicContact OE2-NH1 3.55Å; E249-R330 PolarHBondContact OE2-NH1 3.12Å; E249-R330 IonicContact OE2-NH2 3.78Å; E249-R330 PolarHBondContact OE2-NH2 3.03Å
250L87.4Confident88.3Confident13 Ų1328.8 Ų28.87%0.06814%0.141CC..Hα-helixtrans-59-44.5176.3-176.960.7000111.1N239 F247 T252 V253 F254 Y280N239-L250 WeakPolarHBondContact ND2-CD2 3.46Å; F247-L250 HydrophobicContact CE2-CD2 4.35Å; F247-L250 WeakPolarHBondContact O-CB 3.47Å; F247-L250 PolarHBondContact O-N 3.46Å; L250-T252 VanDerWaalsContact C-N 3.32Å; L250-T252 PolarHBondContact O-N 3.41Å; L250-V253 PolarHBondContact O-N 3.35Å; L250-F254 HydrophobicContact CD1-CD2 3.85Å; L250-F254 HydrophobicContact CD1-CE2 3.64Å; L250-F254 HydrophobicContact CG-CD2 4.14Å; L250-F254 HydrophobicContact CG-CE2 4.27Å; L250-F254 WeakPolarHBondContact O-CD2 3.36Å; L250-F254 PolarHBondContact O-N 3.11Å; L250-F254 VanDerWaalsContact O-N 3.1Å; L250-Y280 WeakPolarHBondContact CD1-O 3.48Å
251M88Confident88.3Confident14 Ų1424.5 Ų24.57%0.06913%0.127CC..Hα-helixtrans-61.3-40.2177.3-70.7-57.8-57.400112.4P62 M235 F247 Q248 E249 F254 Q255P62-M251 HydrophobicContact CG-CE 4.42Å; M235-M251 HydrophobicContact CE-SD 4.44Å; F247-M251 HydrophobicContact CD1-CG 3.77Å; F247-M251 HydrophobicContact CE1-CG 3.39Å; F247-M251 HydrophobicContact CE1-SD 3.62Å; F247-M251 HydrophobicContact CE2-CG 4.5Å; F247-M251 HydrophobicContact CE2-SD 4.42Å; F247-M251 HydrophobicContact CG-CG 4.46Å; F247-M251 HydrophobicContact CZ-CG 3.8Å; F247-M251 HydrophobicContact CZ-SD 3.54Å; F247-M251 VanDerWaalsContact CZ-SD 3.54Å; F247-M251 PolarHBondContact O-N 2.81Å; Q248-M251 PolarHBondContact O-N 3.49Å; E249-M251 VanDerWaalsContact C-N 3.3Å; E249-M251 PolarHBondContact O-N 3.14Å; M251-F254 PolarHBondContact O-N 3.01Å; M251-Q255 WeakPolarHBondContact O-CB 3.5Å; M251-Q255 WeakPolarHBondContact O-CG 3.22Å; M251-Q255 PolarHBondContact O-N 2.64Å
252T91.6Very high88.5Confident4 Ų423.8 Ų23.83%0.02512%0.117CC..Hα-helixtrans-62.7-45.5178.6-58.40000110.8Q248 E249 L250 F254 Q255 L256 R330 F331Q248-T252 WeakPolarHBondContact O-CB 3.43Å; Q248-T252 PolarHBondContact O-N 3.11Å; Q248-T252 PolarHBondContact O-OG1 3.08Å; E249-T252 WeakPolarHBondContact O-CB 3.23Å; E249-T252 PolarHBondContact O-N 3.41Å; E249-T252 VanDerWaalsContact O-N 3.15Å; L250-T252 VanDerWaalsContact C-N 3.32Å; L250-T252 PolarHBondContact O-N 3.41Å; T252-F254 PolarHBondContact O-N 2.8Å; T252-Q255 PolarHBondContact O-N 3.25Å; T252-L256 HydrophobicContact CG2-CD1 4.08Å; T252-L256 WeakPolarHBondContact O-CG 3.4Å; T252-L256 PolarHBondContact O-N 3.4Å; T252-R330 HydrophobicContact CG2-CG 4.16Å; T252-F331 HydrophobicContact CG2-CB 4.33Å
253V92.3Very high88.7Confident0 Ų022.2 Ų22.20%011%0.112CC..Hα-helixtrans-56.9-49.7175.6165.80000111.2E249 L250 Q255 L256 L257 Y280 L285 M289E249-V253 PolarHBondContact O-N 3.49Å; E249-V253 VanDerWaalsContact O-N 3.09Å; L250-V253 PolarHBondContact O-N 3.35Å; V253-Q255 PolarHBondContact O-N 2.98Å; V253-L256 PolarHBondContact O-N 2.9Å; V253-L257 HydrophobicContact CG1-CD1 3.8Å; V253-L257 HydrophobicContact CG1-CG 4.36Å; V253-L257 WeakPolarHBondContact O-CG 3.45Å; V253-L257 PolarHBondContact O-N 3.33Å; V253-Y280 HydrophobicContact CG1-CD1 4.03Å; V253-Y280 HydrophobicContact CG1-CG 4.38Å; V253-L285 HydrophobicContact CG2-CB 4.12Å; V253-L285 HydrophobicContact CG2-CD1 4.49Å; V253-M289 HydrophobicContact CG1-CE 3.66Å; V253-M289 HydrophobicContact CG2-CE 4.31Å
254F91.6Very high89.1Confident20 Ų2028 Ų289%0.08814%0.136CC..Hα-helixtrans-65.7-37.1-179.8-88.9-79.4000113.2M235 L250 M251 T252 L256 L257 H258 L263 V276 L277 Y280M235-F254 HydrophobicContact SD-CD2 4.05Å; M235-F254 HydrophobicContact SD-CE2 4.2Å; M235-F254 HydrophobicContact SD-CG 4.42Å; L250-F254 HydrophobicContact CD1-CD2 3.85Å; L250-F254 HydrophobicContact CD1-CE2 3.64Å; L250-F254 HydrophobicContact CG-CD2 4.14Å; L250-F254 HydrophobicContact CG-CE2 4.27Å; L250-F254 WeakPolarHBondContact O-CD2 3.36Å; L250-F254 PolarHBondContact O-N 3.11Å; L250-F254 VanDerWaalsContact O-N 3.1Å; M251-F254 PolarHBondContact O-N 3.01Å; T252-F254 PolarHBondContact O-N 2.8Å; F254-L256 VanDerWaalsContact C-N 3.35Å; F254-L257 PolarHBondContact O-N 3.38Å; F254-H258 WeakPolarHBondContact O-CB 3.49Å; F254-H258 PolarHBondContact O-N 3.04Å; F254-L263 HydrophobicContact CD1-CD1 4.31Å; F254-L263 HydrophobicContact CD1-CD2 4.26Å; F254-L263 HydrophobicContact CE1-CD2 4.28Å; F254-V276 HydrophobicContact CE1-CG1 3.94Å; F254-V276 HydrophobicContact CZ-CG1 4.34Å; F254-L277 HydrophobicContact CE1-CD2 4.08Å; F254-L277 HydrophobicContact CE2-CD2 4.11Å; F254-L277 HydrophobicContact CZ-CD2 3.63Å; F254-L277 HydrophobicContact CZ-CG 4.45Å; F254-Y280 HydrophobicContact CZ-CD2 4.49Å
255Q92.8Very high89.7Confident14 Ų1429.3 Ų29.37%0.06515%0.148CC..Hα-helixtrans-63.9-41.1174.6-73.7169.4-6.400111.4M251 T252 V253 H258 W259 F331M251-Q255 WeakPolarHBondContact O-CB 3.5Å; M251-Q255 WeakPolarHBondContact O-CG 3.22Å; M251-Q255 PolarHBondContact O-N 2.64Å; T252-Q255 PolarHBondContact O-N 3.25Å; V253-Q255 PolarHBondContact O-N 2.98Å; Q255-H258 PolarHBondContact O-N 3.04Å; Q255-W259 VanDerWaalsContact O-CB 3.25Å; Q255-W259 WeakPolarHBondContact O-CB 3.28Å; Q255-W259 PolarHBondContact O-N 3.26Å; Q255-F331 HydrophobicContact CB-CD2 3.65Å; Q255-F331 HydrophobicContact CB-CE2 3.52Å; Q255-F331 HydrophobicContact CB-CG 4.48Å; Q255-F331 HydrophobicContact CB-CZ 4.25Å
256L95.7Very high90.5Very high0 Ų030.1 Ų30.10%015%0.152CC..Hα-helixtrans-67.5-44.7176.2-71.4169.7000112.1T252 V253 F254 H258 W259 N260 L285 M293 F331 E334 K335 I338T252-L256 HydrophobicContact CG2-CD1 4.08Å; T252-L256 WeakPolarHBondContact O-CG 3.4Å; T252-L256 PolarHBondContact O-N 3.4Å; V253-L256 PolarHBondContact O-N 2.9Å; F254-L256 VanDerWaalsContact C-N 3.35Å; L256-H258 PolarHBondContact O-N 3.34Å; L256-W259 HydrophobicContact CD2-CE3 3.87Å; L256-W259 HydrophobicContact CD2-CZ3 4.14Å; L256-W259 PolarHBondContact O-N 2.96Å; L256-N260 WeakPolarHBondContact O-CB 3.38Å; L256-N260 PolarHBondContact O-N 2.95Å; L256-N260 PolarHBondContact O-OD1 2.97Å; L256-L285 HydrophobicContact CD1-CD1 3.82Å; L256-L285 HydrophobicContact CD1-CD2 3.43Å; L256-L285 VanDerWaalsContact CD1-CD2 3.43Å; L256-L285 HydrophobicContact CD1-CG 4.3Å; L256-M293 HydrophobicContact CB-CE 3.83Å; L256-M293 HydrophobicContact CB-SD 3.97Å; L256-F331 HydrophobicContact CD2-CD2 3.89Å; L256-F331 HydrophobicContact CD2-CE2 3.78Å; L256-F331 HydrophobicContact CG-CD2 3.98Å; L256-F331 HydrophobicContact CG-CE2 4.07Å; L256-E334 HydrophobicContact CD1-CB 3.82Å; L256-E334 HydrophobicContact CD1-CG 4.49Å; L256-E334 HydrophobicContact CD2-CB 4.28Å; L256-K335 HydrophobicContact CD2-CG 3.84Å; L256-I338 HydrophobicContact CD1-CD1 4.33Å; L256-I338 HydrophobicContact CD2-CD1 4.17Å
257L93.8Very high90.9Very high4 Ų430 Ų302%0.02115%0.147CC..Hα-helixtrans-61.2-32.6175.6-71.9169.5000112.4V253 F254 N260 S262 L263 M266 Y280 M293V253-L257 HydrophobicContact CG1-CD1 3.8Å; V253-L257 HydrophobicContact CG1-CG 4.36Å; V253-L257 WeakPolarHBondContact O-CG 3.45Å; V253-L257 PolarHBondContact O-N 3.33Å; F254-L257 PolarHBondContact O-N 3.38Å; L257-N260 VanDerWaalsContact C-OD1 3.3Å; L257-N260 WeakPolarHBondContact CA-OD1 3.38Å; L257-N260 PolarHBondContact O-OD1 3.19Å; L257-S262 PolarHBondContact O-N 2.91Å; L257-L263 HydrophobicContact CB-CD1 4.49Å; L257-L263 HydrophobicContact CB-CD2 3.91Å; L257-L263 HydrophobicContact CB-CG 3.78Å; L257-L263 HydrophobicContact CD1-CD2 4.35Å; L257-L263 PolarHBondContact O-N 3.27Å; L257-M266 HydrophobicContact CD2-CE 4.41Å; L257-Y280 HydrophobicContact CD1-CD1 3.85Å; L257-Y280 HydrophobicContact CD1-CD2 3.68Å; L257-Y280 HydrophobicContact CD1-CE1 3.8Å; L257-Y280 HydrophobicContact CD1-CE2 3.65Å; L257-Y280 HydrophobicContact CD1-CG 3.79Å; L257-Y280 HydrophobicContact CD2-CE1 4.2Å; L257-Y280 HydrophobicContact CD2-CE2 4.47Å; L257-M293 HydrophobicContact CD2-CE 3.65Å; L257-M293 HydrophobicContact CG-CE 3.91Å
258H92Very high91.3Very high65 Ų6536 Ų3630%0.30118%0.175SC..Hα-helixtrans-72.1-51.8173.6-179.6-113.6000111P61 F254 Q255 L256 N260 G261 L263P61-H258 WeakPolarHBondContact CD-CE1 3.5Å; P61-H258 WeakPolarHBondContact CD-ND1 3.36Å; P61-H258 HydrophobicContact CG-CB 3.94Å; P61-H258 WeakPolarHBondContact CG-ND1 3.34Å; F254-H258 WeakPolarHBondContact O-CB 3.49Å; F254-H258 PolarHBondContact O-N 3.04Å; Q255-H258 PolarHBondContact O-N 3.04Å; L256-H258 PolarHBondContact O-N 3.34Å; H258-N260 PolarHBondContact O-N 2.87Å; H258-G261 PolarHBondContact O-N 3.09Å; H258-L263 HydrophobicContact CB-CD1 3.8Å; H258-L263 HydrophobicContact CB-CG 4.48Å
259W95.3Very high91.7Very high43 Ų4343.7 Ų43.716%0.16320%0.202CC..Hα-helixtrans-58.7-47.8-177.8163.469.6000112.3Q255 L256 G261 W297 E311 F331 K335 I338 L339Q255-W259 VanDerWaalsContact O-CB 3.25Å; Q255-W259 WeakPolarHBondContact O-CB 3.28Å; Q255-W259 PolarHBondContact O-N 3.26Å; L256-W259 HydrophobicContact CD2-CE3 3.87Å; L256-W259 HydrophobicContact CD2-CZ3 4.14Å; L256-W259 PolarHBondContact O-N 2.96Å; W259-G261 PolarHBondContact O-N 3.21Å; W259-W297 HydrophobicContact CD2-CZ2 4.17Å; W259-W297 AromaticContact CE2-CZ2 3.46Å; W259-W297 VanDerWaalsContact CE2-CZ2 3.46Å; W259-W297 AromaticContact CH2-CE2 3.7Å; W259-W297 AromaticContact CH2-CZ2 3.91Å; W259-W297 HydrophobicContact CH2-CZ2 3.91Å; W259-W297 AromaticContact CH2-NE1 3.15Å; W259-W297 AromaticContact CZ2-CE2 3.6Å; W259-W297 HydrophobicContact CZ2-CH2 4.28Å; W259-W297 AromaticContact CZ2-CZ2 3.32Å; W259-W297 HydrophobicContact CZ2-CZ2 3.32Å; W259-W297 AromaticContact CZ2-NE1 3.58Å; W259-W297 AromaticContact CZ3-NE1 3.47Å; W259-W297 AromaticContact NE1-CZ2 3.78Å; W259-E311 HydrophobicContact CZ2-CG 3.85Å; W259-E311 PolarHBondContact NE1-OE1 3.43Å; W259-F331 HydrophobicContact CB-CE2 4.5Å; W259-F331 HydrophobicContact CB-CZ 4.34Å; W259-K335 HydrophobicContact CD2-CD 4.01Å; W259-K335 HydrophobicContact CD2-CG 3.79Å; W259-K335 VanDerWaalsContact CE2-CE 3.43Å; W259-K335 HydrophobicContact CE3-CG 3.87Å; W259-K335 HydrophobicContact CG-CD 4.18Å; W259-K335 HydrophobicContact CG-CG 4.41Å; W259-K335 HydrophobicContact CH2-CB 4.05Å; W259-K335 HydrophobicContact CH2-CG 4Å; W259-K335 HydrophobicContact CZ2-CB 4.14Å; W259-K335 HydrophobicContact CZ2-CD 4.32Å; W259-K335 HydrophobicContact CZ2-CG 3.94Å; W259-K335 HydrophobicContact CZ3-CB 4.37Å; W259-K335 HydrophobicContact CZ3-CG 3.97Å; W259-K335 VanDerWaalsContact NE1-CE 3.3Å; W259-I338 HydrophobicContact CH2-CG2 4.39Å; W259-I338 HydrophobicContact CZ3-CD1 4.37Å; W259-I338 HydrophobicContact CZ3-CG2 4.25Å; W259-L339 HydrophobicContact CH2-CD1 4.29Å; W259-L339 HydrophobicContact CH2-CD2 4.15Å; W259-L339 HydrophobicContact CH2-CG 3.92Å; W259-L339 HydrophobicContact CZ2-CD1 4.02Å; W259-L339 HydrophobicContact CZ2-CD2 4.12Å; W259-L339 HydrophobicContact CZ2-CG 4.06Å
260N94Very high92Very high0 Ų050 Ų500%023%0.232CC..THydrogen-bonded Turntrans-76.9-0.2178.392.5-49.2000112.3L256 L257 H258 S262 M293 D296 R300L256-N260 WeakPolarHBondContact O-CB 3.38Å; L256-N260 PolarHBondContact O-N 2.95Å; L256-N260 PolarHBondContact O-OD1 2.97Å; L257-N260 VanDerWaalsContact C-OD1 3.3Å; L257-N260 WeakPolarHBondContact CA-OD1 3.38Å; L257-N260 PolarHBondContact O-OD1 3.19Å; H258-N260 PolarHBondContact O-N 2.87Å; N260-S262 VanDerWaalsContact C-N 3.35Å; N260-S262 PolarHBondContact ND2-OG 3.19Å; N260-S262 PolarHBondContact O-N 3.18Å; N260-S262 WeakPolarHBondContact OD1-CB 3.37Å; N260-S262 PolarHBondContact OD1-N 3.46Å; N260-S262 VanDerWaalsContact OD1-N 3.14Å; N260-S262 PolarHBondContact OD1-OG 2.96Å; N260-S262 VanDerWaalsContact OD1-OG 3.11Å; N260-M293 HydrophobicContact CB-CG 4.44Å; N260-D296 PolarHBondContact ND2-OD2 3.02Å; N260-D296 VanDerWaalsContact ND2-OD2 3.11Å; N260-R300 PolarHBondContact O-NH1 3Å; N260-R300 PolarHBondContact O-NH2 3.06Å
261G92.1Very high92.2Very high19 Ų1952 Ų5220%0.19625%0.246CC..SBendtrans79.81.7176.400000116.2H258 W259 L263 K264 A265H258-G261 PolarHBondContact O-N 3.09Å; W259-G261 PolarHBondContact O-N 3.21Å; G261-L263 VanDerWaalsContact C-N 3.29Å; G261-L263 PolarHBondContact O-N 2.92Å; G261-K264 WeakPolarHBondContact O-CB 3.27Å; G261-K264 PolarHBondContact O-N 3.03Å; G261-A265 PolarHBondContact O-N 3.24Å; G261-A265 VanDerWaalsContact O-N 3.09Å
262S92.7Very high92.2Very high19 Ų1953.3 Ų53.313%0.13326%0.257CS..Hα-helixtrans-60.5-36.1177.7-65.60000112.7L257 N260 K264 A265 M266 D296L257-S262 PolarHBondContact O-N 2.91Å; N260-S262 VanDerWaalsContact C-N 3.35Å; N260-S262 PolarHBondContact ND2-OG 3.19Å; N260-S262 PolarHBondContact O-N 3.18Å; N260-S262 WeakPolarHBondContact OD1-CB 3.37Å; N260-S262 PolarHBondContact OD1-N 3.46Å; N260-S262 VanDerWaalsContact OD1-N 3.14Å; N260-S262 PolarHBondContact OD1-OG 2.96Å; N260-S262 VanDerWaalsContact OD1-OG 3.11Å; S262-K264 VanDerWaalsContact C-N 3.27Å; S262-K264 PolarHBondContact O-N 2.99Å; S262-A265 PolarHBondContact O-N 3.43Å; S262-M266 WeakPolarHBondContact O-CE 3.4Å; S262-M266 WeakPolarHBondContact O-CG 3.11Å; S262-M266 PolarHBondContact O-N 3.43Å; S262-D296 PolarHBondContact OG-OD2 3.42Å
263L91.9Very high91.9Very high38 Ų3857.9 Ų57.920%0.19927%0.274CS..Hα-helixtrans-62.1-34.8174-67.5-172.3000112.6F254 L257 H258 G261 M266 R267 V276F254-L263 HydrophobicContact CD1-CD1 4.31Å; F254-L263 HydrophobicContact CD1-CD2 4.26Å; F254-L263 HydrophobicContact CE1-CD2 4.28Å; L257-L263 HydrophobicContact CB-CD1 4.49Å; L257-L263 HydrophobicContact CB-CD2 3.91Å; L257-L263 HydrophobicContact CB-CG 3.78Å; L257-L263 HydrophobicContact CD1-CD2 4.35Å; L257-L263 PolarHBondContact O-N 3.27Å; H258-L263 HydrophobicContact CB-CD1 3.8Å; H258-L263 HydrophobicContact CB-CG 4.48Å; G261-L263 VanDerWaalsContact C-N 3.29Å; G261-L263 PolarHBondContact O-N 2.92Å; L263-M266 HydrophobicContact CD2-CE 3.75Å; L263-R267 PolarHBondContact O-N 3.04Å; L263-V276 HydrophobicContact CD2-CG1 3.96Å
264K91Very high91.4Very high128 Ų12863 Ų6356%0.55730%0.297SS*.Hα-helixtrans-68-46.8175.6-177.1-176.4172.8-173.60110.2G261 S262 M266 R267 E268G261-K264 WeakPolarHBondContact O-CB 3.27Å; G261-K264 PolarHBondContact O-N 3.03Å; S262-K264 VanDerWaalsContact C-N 3.27Å; S262-K264 PolarHBondContact O-N 2.99Å; K264-M266 PolarHBondContact O-N 3.38Å; K264-R267 WeakPolarHBondContact O-CB 3.35Å; K264-R267 PolarHBondContact O-N 3.37Å; K264-E268 WeakPolarHBondContact CE-OE1 3.32Å; K264-E268 WeakPolarHBondContact O-CG 3.21Å; K264-E268 PolarHBondContact O-N 2.89Å
265A91.1Very high91.2Very high36 Ų3667.8 Ų67.830%0.29832%0.32SS..Hα-helixtrans-62.5-41.3178.600000112.8G261 S262 R267 E268 R269G261-A265 PolarHBondContact O-N 3.24Å; G261-A265 VanDerWaalsContact O-N 3.09Å; S262-A265 PolarHBondContact O-N 3.43Å; A265-R267 VanDerWaalsContact C-N 3.31Å; A265-R267 PolarHBondContact O-N 3.38Å; A265-E268 PolarHBondContact O-N 2.81Å; A265-R269 WeakPolarHBondContact O-CG 3.44Å; A265-R269 PolarHBondContact O-N 3Å; A265-R269 VanDerWaalsContact O-N 3.08Å
266M92.8Very high91.1Very high32 Ų3267.9 Ų67.916%0.15832%0.322CS..Hα-helixtrans-62.1-39.5175-77.5-175.4-83.700111.9L257 S262 L263 K264 R269 Q270 C271 V276 Y280L257-M266 HydrophobicContact CD2-CE 4.41Å; S262-M266 WeakPolarHBondContact O-CE 3.4Å; S262-M266 WeakPolarHBondContact O-CG 3.11Å; S262-M266 PolarHBondContact O-N 3.43Å; L263-M266 HydrophobicContact CD2-CE 3.75Å; K264-M266 PolarHBondContact O-N 3.38Å; M266-R269 CarbonylContact O-C 3.53Å; M266-R269 PolarHBondContact O-N 3.22Å; M266-Q270 PolarHBondContact O-N 3.19Å; M266-C271 HydrophobicContact CB-CB 4Å; M266-C271 WeakPolarHBondContact O-CB 3.41Å; M266-C271 PolarHBondContact O-N 3.08Å; M266-C271 PolarHBondContact O-SG 2.81Å; M266-V276 HydrophobicContact CB-CG2 4.38Å; M266-V276 HydrophobicContact CE-CG1 4.25Å; M266-V276 HydrophobicContact SD-CG1 4.21Å; M266-V276 HydrophobicContact SD-CG2 3.83Å; M266-Y280 HydrophobicContact CE-CE2 3.89Å; M266-Y280 HydrophobicContact SD-CE2 4.05Å
267R89.4Confident90.7Very high107 Ų10768.6 Ų68.640%0.40433%0.325SS..Hα-helixtrans-62.8-43.6174.3-173.2-165.2-48.5174.56.7112.2P58 L263 K264 A265 R269 Q270P58-R267 VanDerWaalsContact CG-NH1 3.28Å; L263-R267 PolarHBondContact O-N 3.04Å; K264-R267 WeakPolarHBondContact O-CB 3.35Å; K264-R267 PolarHBondContact O-N 3.37Å; A265-R267 VanDerWaalsContact C-N 3.31Å; A265-R267 PolarHBondContact O-N 3.38Å; R267-R269 PolarHBondContact O-N 2.94Å; R267-Q270 PolarHBondContact O-N 2.94Å
268E92.8Very high90.3Very high127 Ų12771.7 Ų71.759%0.59335%0.352SS*.Hα-helixtrans-62.1-32177.9-71.5168.1179.700111.7K264 A265 Q270K264-E268 WeakPolarHBondContact CE-OE1 3.32Å; K264-E268 WeakPolarHBondContact O-CG 3.21Å; K264-E268 PolarHBondContact O-N 2.89Å; A265-E268 PolarHBondContact O-N 2.81Å; E268-Q270 PolarHBondContact O-N 3.4Å
269R93.9Very high90.2Very high203 Ų20374 Ų7477%0.76636%0.362SS*.THydrogen-bonded Turntrans-81.67.6172.8-64.8177-175.1-177.62.2114.4A265 M266 R267 C271A265-R269 WeakPolarHBondContact O-CG 3.44Å; A265-R269 PolarHBondContact O-N 3Å; A265-R269 VanDerWaalsContact O-N 3.08Å; M266-R269 CarbonylContact O-C 3.53Å; M266-R269 PolarHBondContact O-N 3.22Å; R267-R269 PolarHBondContact O-N 2.94Å; R269-C271 PolarHBondContact O-N 3.49Å
270Q90.7Very high89.9Confident165 Ų16573.2 Ų73.277%0.77136%0.36SS*.THydrogen-bonded Turntrans61.126.8-179.1-52.8-60.5-47.300114.4M266 R267 E268 S272M266-Q270 PolarHBondContact O-N 3.19Å; R267-Q270 PolarHBondContact O-N 2.94Å; E268-Q270 PolarHBondContact O-N 3.4Å; Q270-S272 PolarHBondContact O-N 2.96Å
271C90.6Very high89.4Confident53 Ų5375 Ų7536%0.35837%0.372SS..  trans-65.3129.5168.2-57.70000109.3M266 R269 V276M266-C271 HydrophobicContact CB-CB 4Å; M266-C271 WeakPolarHBondContact O-CB 3.41Å; M266-C271 PolarHBondContact O-N 3.08Å; M266-C271 PolarHBondContact O-SG 2.81Å; R269-C271 PolarHBondContact O-N 3.49Å; C271-V276 HydrophobicContact CB-CG2 3.98Å
272S87.5Confident88.8Confident43 Ų4381.3 Ų81.330%0.30140%0.396SS..  trans-72.2155.3176.3730000110.8Q270 Q274 E275 V276Q270-S272 PolarHBondContact O-N 2.96Å; S272-Q274 VanDerWaalsContact C-N 3.26Å; S272-Q274 PolarHBondContact O-N 2.96Å; S272-E275 VanDerWaalsContact CB-OE2 3.3Å; S272-E275 WeakPolarHBondContact CB-OE2 3.4Å; S272-E275 PolarHBondContact N-OE2 2.78Å; S272-E275 PolarHBondContact O-N 3.33Å; S272-E275 WeakPolarHBondContact OG-CB 3.46Å; S272-E275 WeakPolarHBondContact OG-CG 3.23Å; S272-E275 PolarHBondContact OG-N 3.24Å; S272-E275 VanDerWaalsContact OG-N 3.17Å; S272-E275 PolarHBondContact OG-OE2 3.4Å; S272-V276 WeakPolarHBondContact O-CG2 3.48Å; S272-V276 PolarHBondContact O-N 3.34Å; S272-V276 VanDerWaalsContact O-N 3.12Å
273R85.4Confident88.4Confident99 Ų9984 Ų8437%0.37440%0.403SS..Hα-helixtrans-63.2-36.9177.1-62.8180-165.5-156.92.6111.5N226 T227 V276 L277N226-R273 PolarHBondContact O-NE 3.35Å; N226-R273 VanDerWaalsContact O-NE 3.13Å; N226-R273 PolarHBondContact O-NH1 3.27Å; N226-R273 PolarHBondContact O-NH2 3.17Å; T227-R273 PolarHBondContact O-NH1 2.85Å; R273-V276 PolarHBondContact O-N 3.3Å; R273-L277 VanDerWaalsContact O-CB 3.31Å; R273-L277 WeakPolarHBondContact O-CB 3.4Å; R273-L277 WeakPolarHBondContact O-CD1 3.28Å; R273-L277 WeakPolarHBondContact O-CG 3.32Å; R273-L277 PolarHBondContact O-N 3Å
274Q82.8Confident88Confident107 Ų10783.8 Ų83.850%0.541%0.407SS..Hα-helixtrans-64.7-42.5179-69.2179.4-1000111.9S272 L277 A278S272-Q274 VanDerWaalsContact C-N 3.26Å; S272-Q274 PolarHBondContact O-N 2.96Å; Q274-L277 PolarHBondContact O-N 3.46Å; Q274-A278 VanDerWaalsContact O-CB 3.29Å; Q274-A278 WeakPolarHBondContact O-CB 3.32Å; Q274-A278 PolarHBondContact O-N 3.43Å
275E88.1Confident87.9Confident122 Ų12278.1 Ų78.157%0.5738%0.383SS*.Hα-helixtrans-63.3-45.1175.2-72.3161.6145.900111.6S272 L277 A278 H279S272-E275 VanDerWaalsContact CB-OE2 3.3Å; S272-E275 WeakPolarHBondContact CB-OE2 3.4Å; S272-E275 PolarHBondContact N-OE2 2.78Å; S272-E275 PolarHBondContact O-N 3.33Å; S272-E275 WeakPolarHBondContact OG-CB 3.46Å; S272-E275 WeakPolarHBondContact OG-CG 3.23Å; S272-E275 PolarHBondContact OG-N 3.24Å; S272-E275 VanDerWaalsContact OG-N 3.17Å; S272-E275 PolarHBondContact OG-OE2 3.4Å; E275-L277 PolarHBondContact O-N 3.45Å; E275-A278 PolarHBondContact O-N 3.01Å; E275-H279 WeakPolarHBondContact O-CB 3.39Å; E275-H279 PolarHBondContact O-N 2.83Å
276V89.7Confident87.8Confident16 Ų1678.9 Ų78.910%0.09738%0.382CS..Hα-helixtrans-61.7-45.6177.3176.90000110.5F254 L263 M266 C271 S272 R273 H279 Y280F254-V276 HydrophobicContact CE1-CG1 3.94Å; F254-V276 HydrophobicContact CZ-CG1 4.34Å; L263-V276 HydrophobicContact CD2-CG1 3.96Å; M266-V276 HydrophobicContact CB-CG2 4.38Å; M266-V276 HydrophobicContact CE-CG1 4.25Å; M266-V276 HydrophobicContact SD-CG1 4.21Å; M266-V276 HydrophobicContact SD-CG2 3.83Å; C271-V276 HydrophobicContact CB-CG2 3.98Å; S272-V276 WeakPolarHBondContact O-CG2 3.48Å; S272-V276 PolarHBondContact O-N 3.34Å; S272-V276 VanDerWaalsContact O-N 3.12Å; R273-V276 PolarHBondContact O-N 3.3Å; V276-H279 PolarHBondContact O-N 3.38Å; V276-Y280 HydrophobicContact CG1-CD2 3.85Å; V276-Y280 HydrophobicContact CG1-CE2 4.09Å; V276-Y280 VanDerWaalsContact O-CD2 3.28Å; V276-Y280 WeakPolarHBondContact O-CD2 3.22Å; V276-Y280 PolarHBondContact O-N 3.39Å; V276-Y280 VanDerWaalsContact O-N 3.1Å
277L86.6Confident87.8Confident14 Ų1482.7 Ų82.77%0.07340%0.403CS..Hα-helixtrans-61.1-45.5177-72.3168.5000111.7A231 F234 M235 F254 R273 Q274 E275 H279 Y280 S281A231-L277 HydrophobicContact CB-CD1 4.16Å; F234-L277 HydrophobicContact CD1-CD1 3.77Å; F234-L277 HydrophobicContact CE1-CB 4.4Å; F234-L277 HydrophobicContact CE1-CD1 4.28Å; M235-L277 HydrophobicContact CG-CD2 3.35Å; M235-L277 HydrophobicContact SD-CD2 3.53Å; M235-L277 VanDerWaalsContact SD-CD2 3.53Å; F254-L277 HydrophobicContact CE1-CD2 4.08Å; F254-L277 HydrophobicContact CE2-CD2 4.11Å; F254-L277 HydrophobicContact CZ-CD2 3.63Å; F254-L277 HydrophobicContact CZ-CG 4.45Å; R273-L277 VanDerWaalsContact O-CB 3.31Å; R273-L277 WeakPolarHBondContact O-CB 3.4Å; R273-L277 WeakPolarHBondContact O-CD1 3.28Å; R273-L277 WeakPolarHBondContact O-CG 3.32Å; R273-L277 PolarHBondContact O-N 3Å; Q274-L277 PolarHBondContact O-N 3.46Å; E275-L277 PolarHBondContact O-N 3.45Å; L277-H279 VanDerWaalsContact C-N 3.33Å; L277-H279 PolarHBondContact O-N 2.94Å; L277-Y280 PolarHBondContact O-N 3.33Å; L277-S281 WeakPolarHBondContact O-CA 3.4Å; L277-S281 WeakPolarHBondContact O-CB 3.17Å; L277-S281 PolarHBondContact O-N 3.36Å; L277-S281 PolarHBondContact O-OG 3.24Å
278A86.4Confident88.1Confident70 Ų7083.2 Ų83.258%0.57941%0.414SS*.Hα-helixtrans-64.2-36.6178.200000112.7Q274 E275 S281Q274-A278 VanDerWaalsContact O-CB 3.29Å; Q274-A278 WeakPolarHBondContact O-CB 3.32Å; Q274-A278 PolarHBondContact O-N 3.43Å; E275-A278 PolarHBondContact O-N 3.01Å; A278-S281 PolarHBondContact O-OG 3.44Å
279H88.9Confident88.1Confident113 Ų11377.6 Ų77.652%0.52339%0.388SS..Hα-helixtrans-70.6-39.1179.6-174.773.4000112.9E275 V276 L277E275-H279 WeakPolarHBondContact O-CB 3.39Å; E275-H279 PolarHBondContact O-N 2.83Å; V276-H279 PolarHBondContact O-N 3.38Å; L277-H279 VanDerWaalsContact C-N 3.33Å; L277-H279 PolarHBondContact O-N 2.94Å
280Y89Confident88.2Confident27 Ų2770.3 Ų70.311%0.10636%0.36CS..Hα-helixtrans-98.1-11.2-176.2-67.7-72.5000114.5L250 V253 F254 L257 M266 V276 L277 H282 R283 M289L250-Y280 WeakPolarHBondContact CD1-O 3.48Å; V253-Y280 HydrophobicContact CG1-CD1 4.03Å; V253-Y280 HydrophobicContact CG1-CG 4.38Å; F254-Y280 HydrophobicContact CZ-CD2 4.49Å; L257-Y280 HydrophobicContact CD1-CD1 3.85Å; L257-Y280 HydrophobicContact CD1-CD2 3.68Å; L257-Y280 HydrophobicContact CD1-CE1 3.8Å; L257-Y280 HydrophobicContact CD1-CE2 3.65Å; L257-Y280 HydrophobicContact CD1-CG 3.79Å; L257-Y280 HydrophobicContact CD2-CE1 4.2Å; L257-Y280 HydrophobicContact CD2-CE2 4.47Å; M266-Y280 HydrophobicContact CE-CE2 3.89Å; M266-Y280 HydrophobicContact SD-CE2 4.05Å; V276-Y280 HydrophobicContact CG1-CD2 3.85Å; V276-Y280 HydrophobicContact CG1-CE2 4.09Å; V276-Y280 VanDerWaalsContact O-CD2 3.28Å; V276-Y280 WeakPolarHBondContact O-CD2 3.22Å; V276-Y280 PolarHBondContact O-N 3.39Å; V276-Y280 VanDerWaalsContact O-N 3.1Å; L277-Y280 PolarHBondContact O-N 3.33Å; Y280-H282 PolarHBondContact O-N 3.07Å; Y280-H282 VanDerWaalsContact O-N 3.11Å; Y280-R283 PolarHBondContact O-N 3.43Å; Y280-M289 HydrophobicContact CD1-CE 4.08Å; Y280-M289 HydrophobicContact CE1-CE 3.91Å; Y280-M289 HydrophobicContact CE1-SD 4.39Å
281S83.9Confident88.5Confident38 Ų3865.5 Ų65.527%0.26634%0.342SS..THydrogen-bonded Turntrans-56.9-29.8-176.657.70000114.7L277 A278L277-S281 WeakPolarHBondContact O-CA 3.4Å; L277-S281 WeakPolarHBondContact O-CB 3.17Å; L277-S281 PolarHBondContact O-N 3.36Å; L277-S281 PolarHBondContact O-OG 3.24Å; A278-S281 PolarHBondContact O-OG 3.44Å
282H79.8Confident88.7Confident151 Ų15168.5 Ų68.570%0.69935%0.351SS*.THydrogen-bonded Turntrans-1193.2-177.9-58.9-59.9000113.3Y280Y280-H282 PolarHBondContact O-N 3.07Å; Y280-H282 VanDerWaalsContact O-N 3.11Å
283R84.4Confident89.1Confident75 Ų7566.7 Ų66.728%0.28334%0.338SS..  trans-92.5118.8-178.3-166.2172.2179.8177.3-2.8109.7Y280 D286 M289Y280-R283 PolarHBondContact O-N 3.43Å; R283-D286 IonicContact CZ-OD2 3.79Å; R283-D286 IonicContact NE-OD2 2.89Å; R283-D286 PolarHBondContact NE-OD2 3.33Å; R283-D286 IonicContact NH2-OD1 2.85Å; R283-D286 PolarHBondContact NH2-OD1 2.77Å; R283-D286 IonicContact NH2-OD2 3.89Å; R283-D286 PolarHBondContact NH2-OD2 2.74Å; R283-D286 VanDerWaalsContact NH2-OD2 3.11Å; R283-M289 HydrophobicContact CG-SD 3.83Å; R283-M289 PolarHBondContact NE-SD 3.46Å; R283-M289 VanDerWaalsContact NE-SD 3.43Å
284A84.2Confident89.7Confident34 Ų3462 Ų6228%0.28132%0.32SS..  trans-75160.417200000110D286A284-D286 PolarHBondContact O-N 2.9Å
285L87.9Confident90.3Very high9 Ų958.2 Ų58.25%0.04731%0.308CS..  trans-71.393.7173.5-17066.7000110.1E249 V253 L256 M289 R290 E334E249-L285 PolarHBondContact OE1-N 3.13Å; V253-L285 HydrophobicContact CG2-CB 4.12Å; V253-L285 HydrophobicContact CG2-CD1 4.49Å; L256-L285 HydrophobicContact CD1-CD1 3.82Å; L256-L285 HydrophobicContact CD1-CD2 3.43Å; L256-L285 VanDerWaalsContact CD1-CD2 3.43Å; L256-L285 HydrophobicContact CD1-CG 4.3Å; L285-M289 HydrophobicContact CD1-CB 4.22Å; L285-M289 HydrophobicContact CD1-CE 4Å; L285-R290 PolarHBondContact O-NH1 2.93Å; L285-R290 PolarHBondContact O-NH2 3.35Å; L285-E334 HydrophobicContact CD2-CB 3.93Å; L285-E334 HydrophobicContact CD2-CG 3.46Å; L285-E334 VanDerWaalsContact CD2-CG 3.46Å; L285-E334 WeakPolarHBondContact CD2-OE1 3.47Å; L285-E334 WeakPolarHBondContact CD2-OE2 3.48Å
286D90.1Very high90.6Very high51 Ų5154.3 Ų54.327%0.27329%0.29SS..  trans-95.6171.9-177.362.131.3000112.6R283 A284 D288 M289 R290R283-D286 IonicContact CZ-OD2 3.79Å; R283-D286 IonicContact NE-OD2 2.89Å; R283-D286 PolarHBondContact NE-OD2 3.33Å; R283-D286 IonicContact NH2-OD1 2.85Å; R283-D286 PolarHBondContact NH2-OD1 2.77Å; R283-D286 IonicContact NH2-OD2 3.89Å; R283-D286 PolarHBondContact NH2-OD2 2.74Å; R283-D286 VanDerWaalsContact NH2-OD2 3.11Å; A284-D286 PolarHBondContact O-N 2.9Å; D286-D288 VanDerWaalsContact C-N 3.29Å; D286-D288 PolarHBondContact O-N 3.34Å; D286-D288 PolarHBondContact OD1-N 2.89Å; D286-M289 PolarHBondContact O-N 3.47Å; D286-M289 WeakPolarHBondContact OD1-CB 3.46Å; D286-M289 WeakPolarHBondContact OD1-CG 3.38Å; D286-M289 PolarHBondContact OD1-N 2.79Å; D286-R290 WeakPolarHBondContact O-CG 3.38Å; D286-R290 PolarHBondContact O-N 3.45Å
287D92.9Very high90.9Very high113 Ų11354.1 Ų54.160%0.60429%0.288SS*.Hα-helixtrans-67.3-30.4-177.6-66.9-19.2000112.7R290 T291D287-R290 PolarHBondContact O-N 2.67Å; D287-R290 IonicContact OD1-NH1 2.67Å; D287-R290 PolarHBondContact OD1-NH1 2.78Å; D287-T291 VanDerWaalsContact O-CB 3.26Å; D287-T291 WeakPolarHBondContact O-CB 3.22Å; D287-T291 PolarHBondContact O-N 2.82Å; D287-T291 PolarHBondContact O-OG1 2.86Å
288D93.7Very high91.3Very high118 Ų11854.2 Ų54.263%0.63129%0.289SS*.Hα-helixtrans-65-44.9175.1-70.9-16.9000110.8D286 T291 Q292D286-D288 VanDerWaalsContact C-N 3.29Å; D286-D288 PolarHBondContact O-N 3.34Å; D286-D288 PolarHBondContact OD1-N 2.89Å; D288-T291 PolarHBondContact O-N 3.3Å; D288-Q292 WeakPolarHBondContact O-CB 3.46Å; D288-Q292 PolarHBondContact O-N 3.42Å
289M93.8Very high91.7Very high9 Ų955 Ų554%0.04428%0.284CS..Hα-helixtrans-61.9-47175-75.7177.666.900111.2V253 Y280 R283 L285 D286 T291 Q292 M293V253-M289 HydrophobicContact CG1-CE 3.66Å; V253-M289 HydrophobicContact CG2-CE 4.31Å; Y280-M289 HydrophobicContact CD1-CE 4.08Å; Y280-M289 HydrophobicContact CE1-CE 3.91Å; Y280-M289 HydrophobicContact CE1-SD 4.39Å; R283-M289 HydrophobicContact CG-SD 3.83Å; R283-M289 PolarHBondContact NE-SD 3.46Å; R283-M289 VanDerWaalsContact NE-SD 3.43Å; L285-M289 HydrophobicContact CD1-CB 4.22Å; L285-M289 HydrophobicContact CD1-CE 4Å; D286-M289 PolarHBondContact O-N 3.47Å; D286-M289 WeakPolarHBondContact OD1-CB 3.46Å; D286-M289 WeakPolarHBondContact OD1-CG 3.38Å; D286-M289 PolarHBondContact OD1-N 2.79Å; M289-T291 VanDerWaalsContact C-N 3.31Å; M289-T291 PolarHBondContact O-N 3.3Å; M289-Q292 PolarHBondContact O-N 3.15Å; M289-M293 HydrophobicContact CE-CE 4.23Å; M289-M293 WeakPolarHBondContact O-CB 3.48Å; M289-M293 VanDerWaalsContact O-CG 3.24Å; M289-M293 WeakPolarHBondContact O-CG 3.46Å; M289-M293 PolarHBondContact O-N 3.35Å
290R96.4Very high91.9Very high49 Ų4953.6 Ų53.619%0.18527%0.274CS..Hα-helixtrans-59-44.3176.6-69.1-176.5-17287.613.2111.4L285 D286 D287 M293 A294 E334 I338 L341L285-R290 PolarHBondContact O-NH1 2.93Å; L285-R290 PolarHBondContact O-NH2 3.35Å; D286-R290 WeakPolarHBondContact O-CG 3.38Å; D286-R290 PolarHBondContact O-N 3.45Å; D287-R290 PolarHBondContact O-N 2.67Å; D287-R290 IonicContact OD1-NH1 2.67Å; D287-R290 PolarHBondContact OD1-NH1 2.78Å; R290-M293 PolarHBondContact O-N 3.07Å; R290-A294 WeakPolarHBondContact O-CB 3.31Å; R290-A294 PolarHBondContact O-N 3.3Å; R290-E334 IonicContact CZ-OE1 3.11Å; R290-E334 IonicContact CZ-OE2 3.02Å; R290-E334 IonicContact NE-OE1 3.05Å; R290-E334 IonicContact NE-OE2 2.89Å; R290-E334 PolarHBondContact NE-OE2 3.43Å; R290-E334 IonicContact NH2-OE1 3.54Å; R290-E334 PolarHBondContact NH2-OE1 2.99Å; R290-E334 IonicContact NH2-OE2 3.96Å; R290-E334 PolarHBondContact NH2-OE2 3.3Å; R290-I338 HydrophobicContact CB-CG1 4.23Å; R290-I338 HydrophobicContact CG-CG1 4.16Å; R290-L341 HydrophobicContact CB-CD2 4.33Å
291T96.3Very high92.2Very high65 Ų6554.3 Ų54.340%0.39928%0.278SS..Hα-helixtrans-64.7-43.1179.7-59.50000111.6D287 D288 M289 A294 A295D287-T291 VanDerWaalsContact O-CB 3.26Å; D287-T291 WeakPolarHBondContact O-CB 3.22Å; D287-T291 PolarHBondContact O-N 2.82Å; D287-T291 PolarHBondContact O-OG1 2.86Å; D288-T291 PolarHBondContact O-N 3.3Å; M289-T291 VanDerWaalsContact C-N 3.31Å; M289-T291 PolarHBondContact O-N 3.3Å; T291-A294 PolarHBondContact O-N 3.33Å; T291-A295 PolarHBondContact O-N 3.3Å
292Q94.8Very high92.5Very high115 Ų11559.2 Ų59.254%0.53730%0.297SS..Hα-helixtrans-64.2-44.5176.3-175.360.756.300111.6D288 M289 A294 A295 D296D288-Q292 WeakPolarHBondContact O-CB 3.46Å; D288-Q292 PolarHBondContact O-N 3.42Å; M289-Q292 PolarHBondContact O-N 3.15Å; Q292-A294 VanDerWaalsContact C-N 3.33Å; Q292-A294 PolarHBondContact O-N 3.09Å; Q292-A295 PolarHBondContact O-N 2.75Å; Q292-D296 PolarHBondContact NE2-OD1 3.44Å; Q292-D296 PolarHBondContact O-N 3.27Å
293M96.6Very high93.2Very high5 Ų556.8 Ų56.83%0.02530%0.297CS..Hα-helixtrans-63.8-39.4176.5-68.2-179177.500111.5L256 L257 N260 M289 R290 D296 W297 I338L256-M293 HydrophobicContact CB-CE 3.83Å; L256-M293 HydrophobicContact CB-SD 3.97Å; L257-M293 HydrophobicContact CD2-CE 3.65Å; L257-M293 HydrophobicContact CG-CE 3.91Å; N260-M293 HydrophobicContact CB-CG 4.44Å; M289-M293 HydrophobicContact CE-CE 4.23Å; M289-M293 WeakPolarHBondContact O-CB 3.48Å; M289-M293 VanDerWaalsContact O-CG 3.24Å; M289-M293 WeakPolarHBondContact O-CG 3.46Å; M289-M293 PolarHBondContact O-N 3.35Å; R290-M293 PolarHBondContact O-N 3.07Å; M293-D296 WeakPolarHBondContact O-CB 3.3Å; M293-D296 PolarHBondContact O-N 3.38Å; M293-W297 PolarHBondContact O-N 3.23Å; M293-I338 HydrophobicContact CB-CD1 4.25Å; M293-I338 HydrophobicContact CB-CG2 3.77Å; M293-I338 HydrophobicContact SD-CD1 3.64Å
294A97.2Very high93.6Very high0 Ų057.5 Ų57.50%031%0.309CS..Hα-helixtrans-63-43.917500000111.5R290 T291 Q292 D296 W297 V298 I338 L341 A342R290-A294 WeakPolarHBondContact O-CB 3.31Å; R290-A294 PolarHBondContact O-N 3.3Å; T291-A294 PolarHBondContact O-N 3.33Å; Q292-A294 VanDerWaalsContact C-N 3.33Å; Q292-A294 PolarHBondContact O-N 3.09Å; A294-D296 VanDerWaalsContact C-N 3.3Å; A294-D296 PolarHBondContact O-N 3.45Å; A294-W297 WeakPolarHBondContact O-CA 3.47Å; A294-W297 WeakPolarHBondContact O-CB 3.35Å; A294-W297 PolarHBondContact O-N 3.1Å; A294-V298 WeakPolarHBondContact O-CG2 3.39Å; A294-V298 PolarHBondContact O-N 2.95Å; A294-I338 HydrophobicContact CB-CG2 4.31Å; A294-L341 HydrophobicContact CB-CB 4.06Å; A294-L341 HydrophobicContact CB-CD2 3.81Å; A294-L341 HydrophobicContact CB-CG 3.83Å; A294-A342 HydrophobicContact CB-CB 4.06Å
295A95.2Very high94.1Very high29 Ų2960.1 Ų60.124%0.2433%0.331CS..Hα-helixtrans-60.2-38.6175.800000112.3T291 Q292 W297 V298 N299T291-A295 PolarHBondContact O-N 3.3Å; Q292-A295 PolarHBondContact O-N 2.75Å; A295-W297 VanDerWaalsContact C-N 3.3Å; A295-W297 PolarHBondContact O-N 3.26Å; A295-V298 PolarHBondContact O-N 3.31Å; A295-N299 VanDerWaalsContact O-CG 3.31Å; A295-N299 PolarHBondContact O-N 3.08Å; A295-N299 PolarHBondContact O-ND2 3.33Å; A295-N299 VanDerWaalsContact O-ND2 3.15Å
296D94.9Very high94.4Very high39 Ų3961.3 Ų61.321%0.20935%0.346CS..Hα-helixtrans-61.1-38.8174-67.1-16.1000111.8N260 S262 Q292 M293 A294 R300N260-D296 PolarHBondContact ND2-OD2 3.02Å; N260-D296 VanDerWaalsContact ND2-OD2 3.11Å; S262-D296 PolarHBondContact OG-OD2 3.42Å; Q292-D296 PolarHBondContact NE2-OD1 3.44Å; Q292-D296 PolarHBondContact O-N 3.27Å; M293-D296 WeakPolarHBondContact O-CB 3.3Å; M293-D296 PolarHBondContact O-N 3.38Å; A294-D296 VanDerWaalsContact C-N 3.3Å; A294-D296 PolarHBondContact O-N 3.45Å; D296-R300 WeakPolarHBondContact O-CG 3.35Å; D296-R300 PolarHBondContact O-N 3.5Å
297W96.1Very high94.7Very high13 Ų1360.3 Ų60.35%0.04934%0.341CS..Hα-helixtrans-69.1-40.3174.2-79.4108.4000112.7W259 M293 A294 A295 N299 R300 E301 T307 I308 E311 L339 A342W259-W297 HydrophobicContact CD2-CZ2 4.17Å; W259-W297 AromaticContact CE2-CZ2 3.46Å; W259-W297 VanDerWaalsContact CE2-CZ2 3.46Å; W259-W297 AromaticContact CH2-CE2 3.7Å; W259-W297 AromaticContact CH2-CZ2 3.91Å; W259-W297 HydrophobicContact CH2-CZ2 3.91Å; W259-W297 AromaticContact CH2-NE1 3.15Å; W259-W297 AromaticContact CZ2-CE2 3.6Å; W259-W297 HydrophobicContact CZ2-CH2 4.28Å; W259-W297 AromaticContact CZ2-CZ2 3.32Å; W259-W297 HydrophobicContact CZ2-CZ2 3.32Å; W259-W297 AromaticContact CZ2-NE1 3.58Å; W259-W297 AromaticContact CZ3-NE1 3.47Å; W259-W297 AromaticContact NE1-CZ2 3.78Å; M293-W297 PolarHBondContact O-N 3.23Å; A294-W297 WeakPolarHBondContact O-CA 3.47Å; A294-W297 WeakPolarHBondContact O-CB 3.35Å; A294-W297 PolarHBondContact O-N 3.1Å; A295-W297 VanDerWaalsContact C-N 3.3Å; A295-W297 PolarHBondContact O-N 3.26Å; W297-N299 VanDerWaalsContact C-N 3.31Å; W297-N299 PolarHBondContact O-N 3.44Å; W297-R300 WeakPolarHBondContact O-CB 3.34Å; W297-R300 PolarHBondContact O-N 3.47Å; W297-R300 VanDerWaalsContact O-N 3.15Å; W297-E301 PolarHBondContact O-N 2.94Å; W297-T307 HydrophobicContact CE3-CG2 4.22Å; W297-T307 HydrophobicContact CZ3-CG2 3.78Å; W297-I308 HydrophobicContact CB-CD1 4.28Å; W297-I308 HydrophobicContact CB-CG1 4.23Å; W297-I308 HydrophobicContact CE3-CG1 4.39Å; W297-E311 HydrophobicContact CH2-CB 4.02Å; W297-E311 HydrophobicContact CH2-CG 3.57Å; W297-E311 HydrophobicContact CZ2-CG 3.99Å; W297-E311 HydrophobicContact CZ3-CB 4.01Å; W297-E311 HydrophobicContact CZ3-CG 4.06Å; W297-L339 HydrophobicContact CD2-CD2 3.74Å; W297-L339 HydrophobicContact CE3-CD2 4.1Å; W297-L339 HydrophobicContact CG-CD2 3.98Å; W297-L339 HydrophobicContact CZ2-CD2 4.48Å; W297-A342 HydrophobicContact CB-CB 3.99Å
298V95.6Very high94.8Very high15 Ų1555.1 Ų55.19%0.09131%0.314CS..Hα-helixtrans-57.5-45.2173.7171.30000110.8A294 A295 R300 E301 Q302 A342 Q345 L346A294-V298 WeakPolarHBondContact O-CG2 3.39Å; A294-V298 PolarHBondContact O-N 2.95Å; A295-V298 PolarHBondContact O-N 3.31Å; V298-R300 VanDerWaalsContact C-N 3.3Å; V298-R300 PolarHBondContact O-N 3.23Å; V298-E301 WeakPolarHBondContact O-CB 3.42Å; V298-E301 PolarHBondContact O-N 2.91Å; V298-Q302 WeakPolarHBondContact O-CG 3.4Å; V298-Q302 PolarHBondContact O-N 3.27Å; V298-Q302 VanDerWaalsContact O-N 3.11Å; V298-A342 HydrophobicContact CG2-CB 3.89Å; V298-Q345 HydrophobicContact CG2-CB 4.08Å; V298-L346 HydrophobicContact CG1-CD2 3.81Å; V298-L346 HydrophobicContact CG1-CG 4.2Å; V298-L346 HydrophobicContact CG2-CG 4.13Å
299N93.4Very high95Very high87 Ų8752.7 Ų52.747%0.46531%0.309SS..Hα-helixtrans-62.9-35.4177.6-69.6-34.2000112.6A295 W297 S303A295-N299 VanDerWaalsContact O-CG 3.31Å; A295-N299 PolarHBondContact O-N 3.08Å; A295-N299 PolarHBondContact O-ND2 3.33Å; A295-N299 VanDerWaalsContact O-ND2 3.15Å; W297-N299 VanDerWaalsContact C-N 3.31Å; W297-N299 PolarHBondContact O-N 3.44Å; N299-S303 PolarHBondContact O-N 3.39Å; N299-S303 PolarHBondContact O-OG 2.89Å; N299-S303 VanDerWaalsContact O-OG 3.11Å
300R93.9Very high95.2Very high84 Ų8459.3 Ų59.332%0.31734%0.34SS..Hα-helixtrans-67.8-42.4174-73.1178.7-177.8125.417112.4N260 D296 W297 V298 Q302 S303 V304 T307N260-R300 PolarHBondContact O-NH1 3Å; N260-R300 PolarHBondContact O-NH2 3.06Å; D296-R300 WeakPolarHBondContact O-CG 3.35Å; D296-R300 PolarHBondContact O-N 3.5Å; W297-R300 WeakPolarHBondContact O-CB 3.34Å; W297-R300 PolarHBondContact O-N 3.47Å; W297-R300 VanDerWaalsContact O-N 3.15Å; V298-R300 VanDerWaalsContact C-N 3.3Å; V298-R300 PolarHBondContact O-N 3.23Å; R300-Q302 VanDerWaalsContact C-N 3.26Å; R300-Q302 PolarHBondContact O-N 2.96Å; R300-S303 WeakPolarHBondContact O-CA 3.48Å; R300-S303 WeakPolarHBondContact O-CB 3.27Å; R300-S303 PolarHBondContact O-N 3.11Å; R300-V304 PolarHBondContact O-N 3.15Å; R300-T307 HydrophobicContact CB-CG2 4.4Å
301E94.6Very high95.2Very high41 Ų4159 Ų5919%0.19234%0.341CS..Hα-helixtrans-59.8-39.4177.6-172.266.4-164.300111.6W297 V298 S303 V304 A305 G306 T307 I308 L346W297-E301 PolarHBondContact O-N 2.94Å; V298-E301 WeakPolarHBondContact O-CB 3.42Å; V298-E301 PolarHBondContact O-N 2.91Å; E301-S303 PolarHBondContact O-N 2.54Å; E301-V304 CarbonylContact O-C 3.5Å; E301-V304 PolarHBondContact O-N 2.88Å; E301-A305 PolarHBondContact O-N 3.14Å; E301-G306 PolarHBondContact OE1-N 3Å; E301-T307 PolarHBondContact OE2-N 3.01Å; E301-I308 HydrophobicContact CB-CD1 3.68Å; E301-I308 HydrophobicContact CB-CG1 4.05Å; E301-I308 HydrophobicContact CG-CD1 4.07Å; E301-I308 HydrophobicContact CG-CG1 4.43Å; E301-I308 PolarHBondContact OE2-N 3.13Å; E301-L346 HydrophobicContact CB-CD1 4.19Å; E301-L346 HydrophobicContact CG-CD1 3.8Å
302Q91.4Very high95.3Very high141 Ų14157.2 Ų57.266%0.65933%0.329SS*.Hα-helixtrans-63.1-30.3174.5-68.7173.810.500112.8V298 R300V298-Q302 WeakPolarHBondContact O-CG 3.4Å; V298-Q302 PolarHBondContact O-N 3.27Å; V298-Q302 VanDerWaalsContact O-N 3.11Å; R300-Q302 VanDerWaalsContact C-N 3.26Å; R300-Q302 PolarHBondContact O-N 2.96Å
303S93.1Very high95.4Very high100 Ų10054.2 Ų54.270%0.69932%0.324SS*.Hα-helixtrans-82.6-41178.2-55.70000111.9N299 R300 E301N299-S303 PolarHBondContact O-N 3.39Å; N299-S303 PolarHBondContact O-OG 2.89Å; N299-S303 VanDerWaalsContact O-OG 3.11Å; R300-S303 WeakPolarHBondContact O-CA 3.48Å; R300-S303 WeakPolarHBondContact O-CB 3.27Å; R300-S303 PolarHBondContact O-N 3.11Å; E301-S303 PolarHBondContact O-N 2.54Å
304V93.9Very high95.5Very high91 Ų9156 Ų5655%0.55234%0.337SS*.SBendtrans-138.7101.6-177.9-177.30000108.5R300 E301 T307R300-V304 PolarHBondContact O-N 3.15Å; E301-V304 CarbonylContact O-C 3.5Å; E301-V304 PolarHBondContact O-N 2.88Å; V304-T307 WeakPolarHBondContact CB-OG1 3.37Å; V304-T307 WeakPolarHBondContact CG1-OG1 3.47Å; V304-T307 WeakPolarHBondContact O-CB 3.34Å; V304-T307 PolarHBondContact O-N 2.82Å; V304-T307 PolarHBondContact O-OG1 3Å
305A93.8Very high95.5Very high89 Ų8956 Ų5674%0.73634%0.337SS*.THydrogen-bonded Turntrans-62.2142.3178.900000111.8E301 T307E301-A305 PolarHBondContact O-N 3.14Å; A305-T307 VanDerWaalsContact C-N 3.34Å
306G94.5Very high95.6Very high34 Ų3458.8 Ų58.835%0.35135%0.345SS..THydrogen-bonded Turntrans85.7-1.4-178.200000114.8E301 A309 Q310E301-G306 PolarHBondContact OE1-N 3Å; G306-A309 PolarHBondContact O-N 3.02Å; G306-Q310 WeakPolarHBondContact O-CB 3.4Å; G306-Q310 PolarHBondContact O-N 3.43Å
307T96.1Very high95.7Very high30 Ų3065.3 Ų65.318%0.18437%0.367CS..Hα-helixtrans-62.9-46-178.5-64.60000111.7W297 R300 E301 V304 A305 Q310 E311W297-T307 HydrophobicContact CE3-CG2 4.22Å; W297-T307 HydrophobicContact CZ3-CG2 3.78Å; R300-T307 HydrophobicContact CB-CG2 4.4Å; E301-T307 PolarHBondContact OE2-N 3.01Å; V304-T307 WeakPolarHBondContact CB-OG1 3.37Å; V304-T307 WeakPolarHBondContact CG1-OG1 3.47Å; V304-T307 WeakPolarHBondContact O-CB 3.34Å; V304-T307 PolarHBondContact O-N 2.82Å; V304-T307 PolarHBondContact O-OG1 3Å; A305-T307 VanDerWaalsContact C-N 3.34Å; T307-Q310 PolarHBondContact O-N 3.32Å; T307-E311 WeakPolarHBondContact O-CB 3.48Å; T307-E311 PolarHBondContact O-N 2.87Å
308I96.6Very high95.7Very high4 Ų467.6 Ų67.62%0.02138%0.378CS..Hα-helixtrans-64.8-43.6178.4-67.5174.4000110.4W297 E301 Q310 E311 L312 L339 A342 V343 L346W297-I308 HydrophobicContact CB-CD1 4.28Å; W297-I308 HydrophobicContact CB-CG1 4.23Å; W297-I308 HydrophobicContact CE3-CG1 4.39Å; E301-I308 HydrophobicContact CB-CD1 3.68Å; E301-I308 HydrophobicContact CB-CG1 4.05Å; E301-I308 HydrophobicContact CG-CD1 4.07Å; E301-I308 HydrophobicContact CG-CG1 4.43Å; E301-I308 PolarHBondContact OE2-N 3.13Å; I308-Q310 VanDerWaalsContact C-N 3.33Å; I308-Q310 PolarHBondContact O-N 3.3Å; I308-E311 PolarHBondContact O-N 3.47Å; I308-L312 VanDerWaalsContact O-CB 3.23Å; I308-L312 WeakPolarHBondContact O-CB 3.47Å; I308-L312 PolarHBondContact O-N 2.68Å; I308-L339 HydrophobicContact CG2-CD2 4.26Å; I308-A342 HydrophobicContact CD1-CB 3.91Å; I308-V343 HydrophobicContact CG2-CG2 3.59Å; I308-L346 HydrophobicContact CD1-CD1 3.62Å
309A96.8Very high95.8Very high66 Ų6667.1 Ų67.155%0.54538%0.375SS..Hα-helixtrans-62.2-41.9179.400000111.7G306 A313G306-A309 PolarHBondContact O-N 3.02Å; A309-A313 PolarHBondContact O-N 2.74Å; A309-A313 VanDerWaalsContact O-N 3.1Å
310Q97.1Very high95.9Very high149 Ų14966.2 Ų66.270%0.69637%0.368SS*.Hα-helixtrans-64.8-47.4176.5-176.5178.11.100111.9G306 T307 I308 L312 A313 S314G306-Q310 WeakPolarHBondContact O-CB 3.4Å; G306-Q310 PolarHBondContact O-N 3.43Å; T307-Q310 PolarHBondContact O-N 3.32Å; I308-Q310 VanDerWaalsContact C-N 3.33Å; I308-Q310 PolarHBondContact O-N 3.3Å; Q310-L312 VanDerWaalsContact C-N 3.33Å; Q310-L312 PolarHBondContact O-N 3.11Å; Q310-A313 PolarHBondContact O-N 3.22Å; Q310-S314 PolarHBondContact O-N 2.83Å; Q310-S314 VanDerWaalsContact O-N 3.07Å
311E97.6Very high96Very high41 Ų4166.4 Ų66.419%0.19238%0.375CS..Hα-helixtrans-66.6-36.5179.9-173.663.1-154.400111.8W259 W297 T307 I308 S314 T315 K335 L339W259-E311 HydrophobicContact CZ2-CG 3.85Å; W259-E311 PolarHBondContact NE1-OE1 3.43Å; W297-E311 HydrophobicContact CH2-CB 4.02Å; W297-E311 HydrophobicContact CH2-CG 3.57Å; W297-E311 HydrophobicContact CZ2-CG 3.99Å; W297-E311 HydrophobicContact CZ3-CB 4.01Å; W297-E311 HydrophobicContact CZ3-CG 4.06Å; T307-E311 WeakPolarHBondContact O-CB 3.48Å; T307-E311 PolarHBondContact O-N 2.87Å; I308-E311 PolarHBondContact O-N 3.47Å; E311-S314 PolarHBondContact O-N 3.07Å; E311-T315 WeakPolarHBondContact O-CB 3.15Å; E311-T315 PolarHBondContact O-N 3.42Å; E311-T315 PolarHBondContact O-OG1 3Å; E311-K335 IonicContact OE1-NZ 2.96Å; E311-K335 PolarHBondContact OE1-NZ 2.88Å; E311-L339 HydrophobicContact CB-CD1 4.28Å; E311-L339 HydrophobicContact CB-CD2 4.24Å; E311-L339 HydrophobicContact CG-CD1 3.86Å; E311-L339 HydrophobicContact CG-CD2 4.1Å
312L97.5Very high96.1Very high28 Ų2864.5 Ų64.515%0.14737%0.366CS..Hα-helixtrans-62.5-46.2175.9-17564.1000110.6I308 Q310 S314 T315 E316 K336 L339 M340I308-L312 VanDerWaalsContact O-CB 3.23Å; I308-L312 WeakPolarHBondContact O-CB 3.47Å; I308-L312 PolarHBondContact O-N 2.68Å; Q310-L312 VanDerWaalsContact C-N 3.33Å; Q310-L312 PolarHBondContact O-N 3.11Å; L312-S314 VanDerWaalsContact C-N 3.32Å; L312-S314 PolarHBondContact O-N 3.05Å; L312-T315 PolarHBondContact O-N 3.36Å; L312-E316 WeakPolarHBondContact O-CG 3.36Å; L312-E316 PolarHBondContact O-N 3.15Å; L312-K336 HydrophobicContact CD1-CG 4.1Å; L312-L339 HydrophobicContact CB-CD1 4.18Å; L312-L339 HydrophobicContact CD1-CB 4Å; L312-L339 HydrophobicContact CD1-CD1 4.13Å; L312-M340 HydrophobicContact CD1-CG 4.41Å; L312-M340 HydrophobicContact CD1-SD 4.35Å; L312-M340 HydrophobicContact CD2-SD 3.88Å
313A97.8Very high96.3Very high52 Ų5258.3 Ų58.343%0.4334%0.337SS..Hα-helixtrans-61.5-38.5176.200000112.7A309 Q310 R317A309-A313 PolarHBondContact O-N 2.74Å; A309-A313 VanDerWaalsContact O-N 3.1Å; Q310-A313 PolarHBondContact O-N 3.22Å; A313-R317 PolarHBondContact O-N 3.11Å
314S97.6Very high96.4Very high44 Ų4457 Ų5731%0.30832%0.322SS..Hα-helixtrans-64.5-47.2173.8-1640000111.4Q310 E311 L312 E316 R317 E318Q310-S314 PolarHBondContact O-N 2.83Å; Q310-S314 VanDerWaalsContact O-N 3.07Å; E311-S314 PolarHBondContact O-N 3.07Å; L312-S314 VanDerWaalsContact C-N 3.32Å; L312-S314 PolarHBondContact O-N 3.05Å; S314-E316 VanDerWaalsContact C-N 3.33Å; S314-E316 PolarHBondContact O-N 3.2Å; S314-R317 PolarHBondContact O-N 3.21Å; S314-E318 WeakPolarHBondContact O-CG 3.28Å; S314-E318 PolarHBondContact O-N 3.47Å; S314-E318 PolarHBondContact OG-OE1 2.67Å; S314-E318 VanDerWaalsContact OG-OE1 3.14Å
315T97.8Very high96.3Very high0 Ų055 Ų550%031%0.314CS..Hα-helixtrans-60.9-40.6-179.2-59.30000111.9E311 L312 E318 L319 Y332 K335 K336E311-T315 WeakPolarHBondContact O-CB 3.15Å; E311-T315 PolarHBondContact O-N 3.42Å; E311-T315 PolarHBondContact O-OG1 3Å; L312-T315 PolarHBondContact O-N 3.36Å; T315-E318 PolarHBondContact O-N 2.76Å; T315-L319 VanDerWaalsContact O-CB 3.28Å; T315-L319 WeakPolarHBondContact O-CB 3.47Å; T315-L319 PolarHBondContact O-N 2.96Å; T315-Y332 WeakPolarHBondContact CG2-O 3.48Å; T315-K335 HydrophobicContact CG2-CB 3.51Å; T315-K335 HydrophobicContact CG2-CD 4.46Å; T315-K335 WeakPolarHBondContact OG1-CE 3.26Å; T315-K335 PolarHBondContact OG1-NZ 3.4Å; T315-K336 HydrophobicContact CG2-CB 4.01Å
316E96.6Very high96.1Very high86 Ų8651 Ų5140%0.40228%0.282SS..Hα-helixtrans-65.6-39.4178-73.2-171.8142.400112.5L312 S314 E320 K336L312-E316 WeakPolarHBondContact O-CG 3.36Å; L312-E316 PolarHBondContact O-N 3.15Å; S314-E316 VanDerWaalsContact C-N 3.33Å; S314-E316 PolarHBondContact O-N 3.2Å; E316-E320 WeakPolarHBondContact O-CB 3.39Å; E316-E320 PolarHBondContact O-N 3.21Å; E316-K336 HydrophobicContact CG-CD 4.32Å; E316-K336 IonicContact OE1-NZ 3.89Å; E316-K336 PolarHBondContact OE1-NZ 3.01Å
317R97.5Very high96Very high176 Ų17653 Ų5366%0.66428%0.279SS*.Hα-helixtrans-65-47.5174.3-171.5-177.4-60.9152.23.6111.3A313 S314 L319 E320 D321A313-R317 PolarHBondContact O-N 3.11Å; S314-R317 PolarHBondContact O-N 3.21Å; R317-L319 VanDerWaalsContact C-N 3.33Å; R317-L319 PolarHBondContact O-N 2.88Å; R317-E320 PolarHBondContact O-N 3.17Å; R317-D321 PolarHBondContact O-N 3.45Å
318E97.4Very high95.8Very high61 Ų6153.3 Ų53.329%0.28528%0.279SS..Hα-helixtrans-60.2-41.6177.9-73168-161.100112.4S314 T315 D321 A322 Y332 K335S314-E318 WeakPolarHBondContact O-CG 3.28Å; S314-E318 PolarHBondContact O-N 3.47Å; S314-E318 PolarHBondContact OG-OE1 2.67Å; S314-E318 VanDerWaalsContact OG-OE1 3.14Å; T315-E318 PolarHBondContact O-N 2.76Å; E318-D321 PolarHBondContact O-N 3.43Å; E318-A322 VanDerWaalsContact O-CB 3.24Å; E318-A322 WeakPolarHBondContact O-CB 3.28Å; E318-A322 PolarHBondContact O-N 3.39Å; E318-Y332 HydrophobicContact CB-CD1 3.69Å; E318-Y332 HydrophobicContact CB-CE1 3.67Å; E318-Y332 HydrophobicContact CG-CE1 4.46Å; E318-K335 IonicContact OE1-NZ 3Å; E318-K335 IonicContact OE2-NZ 2.75Å; E318-K335 PolarHBondContact OE2-NZ 3.22Å
319L97.2Very high95.8Very high6 Ų653.1 Ų53.13%0.03128%0.278CS..Hα-helixtrans-61.8-45.4176.3175.658.6000111Y156 T315 R317 A322 R323 L329 K333 K336Y156-L319 HydrophobicContact CE1-CD1 4.36Å; T315-L319 VanDerWaalsContact O-CB 3.28Å; T315-L319 WeakPolarHBondContact O-CB 3.47Å; T315-L319 PolarHBondContact O-N 2.96Å; R317-L319 VanDerWaalsContact C-N 3.33Å; R317-L319 PolarHBondContact O-N 2.88Å; L319-A322 PolarHBondContact O-N 3.1Å; L319-R323 VanDerWaalsContact O-CB 3.23Å; L319-R323 WeakPolarHBondContact O-CB 3.46Å; L319-R323 PolarHBondContact O-N 3.48Å; L319-L329 HydrophobicContact CD1-CB 4.09Å; L319-L329 HydrophobicContact CD1-CD1 4.37Å; L319-L329 HydrophobicContact CD1-CD2 4.31Å; L319-L329 HydrophobicContact CD1-CG 4.49Å; L319-K333 HydrophobicContact CD1-CG 4.15Å; L319-K333 HydrophobicContact CD2-CD 4.44Å; L319-K336 HydrophobicContact CD2-CD 4.33Å
320E95.9Very high95.7Very high68 Ų6851 Ų5132%0.31826%0.256SS..Hα-helixtrans-64.4-46.3178.8179.559.9-168.400111.6E316 R317 A322 R323 L324E316-E320 WeakPolarHBondContact O-CB 3.39Å; E316-E320 PolarHBondContact O-N 3.21Å; R317-E320 PolarHBondContact O-N 3.17Å; E320-A322 VanDerWaalsContact C-N 3.31Å; E320-A322 PolarHBondContact O-N 3.26Å; E320-R323 WeakPolarHBondContact O-CB 3.47Å; E320-R323 PolarHBondContact O-N 2.79Å; E320-R323 IonicContact OE1-CZ 3.19Å; E320-R323 IonicContact OE1-NE 2.81Å; E320-R323 IonicContact OE1-NH2 2.81Å; E320-R323 PolarHBondContact OE1-NH2 2.9Å; E320-R323 IonicContact OE2-CZ 3.98Å; E320-R323 IonicContact OE2-NE 2.6Å; E320-R323 PolarHBondContact OE2-NE 3.09Å; E320-R323 IonicContact OE2-NH2 3.5Å; E320-R323 PolarHBondContact OE2-NH2 3.23Å; E320-L324 HydrophobicContact CG-CD1 4.33Å; E320-L324 WeakPolarHBondContact O-CG 3.37Å; E320-L324 PolarHBondContact O-N 3.37Å
321D96.3Very high95.6Very high88 Ų8845.2 Ų45.247%0.47123%0.228SC..Hα-helixtrans-61.5-40.5176.6-71.1-20.8000111.6R317 E318 A325R317-D321 PolarHBondContact O-N 3.45Å; E318-D321 PolarHBondContact O-N 3.43Å; D321-A325 WeakPolarHBondContact O-CB 3.12Å; D321-A325 PolarHBondContact O-N 3.29Å; D321-A325 VanDerWaalsContact O-N 3.13Å
322A95.9Very high95.5Very high0 Ų044.7 Ų44.70%023%0.225CC..Hα-helixtrans-66.1-41.2175.500000112.3E318 L319 E320 A325 G326 R327 L329 Y332E318-A322 VanDerWaalsContact O-CB 3.24Å; E318-A322 WeakPolarHBondContact O-CB 3.28Å; E318-A322 PolarHBondContact O-N 3.39Å; L319-A322 PolarHBondContact O-N 3.1Å; E320-A322 VanDerWaalsContact C-N 3.31Å; E320-A322 PolarHBondContact O-N 3.26Å; A322-A325 CarbonylContact O-C 3.54Å; A322-A325 PolarHBondContact O-N 3.05Å; A322-G326 PolarHBondContact O-N 3.5Å; A322-R327 HydrophobicContact CB-CB 4.25Å; A322-R327 WeakPolarHBondContact O-CB 3.5Å; A322-R327 PolarHBondContact O-N 2.85Å; A322-L329 HydrophobicContact CB-CD2 3.61Å; A322-Y332 HydrophobicContact CB-CD2 3.74Å; A322-Y332 HydrophobicContact CB-CE2 3.42Å; A322-Y332 VanDerWaalsContact CB-CE2 3.42Å
323R96.4Very high95.5Very high12 Ų1244.1 Ų44.15%0.04522%0.221CC..Hα-helixtrans-62.5-48.4178-178.6-175.17177.8-10.3111.4Y156 S167 F168 L319 E320 A325 G326 L329Y156-R323 HydrophobicContact CE1-CG 4.37Å; S167-R323 WeakPolarHBondContact O-CD 3.41Å; S167-R323 WeakPolarHBondContact O-CG 3.42Å; S167-R323 PolarHBondContact O-NH1 3.48Å; F168-R323 WeakPolarHBondContact CB-O 3.46Å; L319-R323 VanDerWaalsContact O-CB 3.23Å; L319-R323 WeakPolarHBondContact O-CB 3.46Å; L319-R323 PolarHBondContact O-N 3.48Å; E320-R323 WeakPolarHBondContact O-CB 3.47Å; E320-R323 PolarHBondContact O-N 2.79Å; E320-R323 IonicContact OE1-CZ 3.19Å; E320-R323 IonicContact OE1-NE 2.81Å; E320-R323 IonicContact OE1-NH2 2.81Å; E320-R323 PolarHBondContact OE1-NH2 2.9Å; E320-R323 IonicContact OE2-CZ 3.98Å; E320-R323 IonicContact OE2-NE 2.6Å; E320-R323 PolarHBondContact OE2-NE 3.09Å; E320-R323 IonicContact OE2-NH2 3.5Å; E320-R323 PolarHBondContact OE2-NH2 3.23Å; R323-A325 VanDerWaalsContact C-N 3.25Å; R323-A325 PolarHBondContact O-N 3.34Å; R323-G326 PolarHBondContact O-N 2.95Å; R323-L329 HydrophobicContact CB-CD1 3.97Å; R323-L329 HydrophobicContact CB-CD2 4.2Å; R323-L329 HydrophobicContact CG-CD1 4.1Å
324L93.3Very high95.4Very high72 Ų7242.6 Ų42.638%0.37721%0.205SC..Hα-helixtrans-65.7-30.3179.1-67.3178.3000112.3E320 G326E320-L324 HydrophobicContact CG-CD1 4.33Å; E320-L324 WeakPolarHBondContact O-CG 3.37Å; E320-L324 PolarHBondContact O-N 3.37Å; L324-G326 PolarHBondContact O-N 3.04Å
325A92.2Very high95.4Very high48 Ų4840.8 Ų40.840%0.39719%0.191SC..THydrogen-bonded Turntrans-78.5-1172.100000114D321 A322 R323 R327D321-A325 WeakPolarHBondContact O-CB 3.12Å; D321-A325 PolarHBondContact O-N 3.29Å; D321-A325 VanDerWaalsContact O-N 3.13Å; A322-A325 CarbonylContact O-C 3.54Å; A322-A325 PolarHBondContact O-N 3.05Å; R323-A325 VanDerWaalsContact C-N 3.25Å; R323-A325 PolarHBondContact O-N 3.34Å; A325-R327 HydrophobicContact CB-CG 3.94Å; A325-R327 PolarHBondContact O-N 3.1Å
326G90.3Very high95.4Very high6 Ų643.6 Ų43.66%0.06220%0.204CC..THydrogen-bonded Turntrans63.626.5-17800000114A322 R323 L324A322-G326 PolarHBondContact O-N 3.5Å; R323-G326 PolarHBondContact O-N 2.95Å; L324-G326 PolarHBondContact O-N 3.04Å
327R91.5Very high95.4Very high75 Ų7542.7 Ų42.728%0.28320%0.202SC..  trans-76.3166.5178.6-63.6-165.4-66-101.45.7111.1A322 A325 L329A322-R327 HydrophobicContact CB-CB 4.25Å; A322-R327 WeakPolarHBondContact O-CB 3.5Å; A322-R327 PolarHBondContact O-N 2.85Å; A325-R327 HydrophobicContact CB-CG 3.94Å; A325-R327 PolarHBondContact O-N 3.1Å; R327-L329 WeakPolarHBondContact O-CD2 3.27Å; R327-L329 WeakPolarHBondContact O-CG 3.38Å
328E92.4Very high95.4Very high38 Ų3834.3 Ų34.318%0.17817%0.17CC..  trans-61.5134.1164.2-157.5-6213300108.9S163 C164 F165 R330S163-E328 WeakPolarHBondContact CA-OE1 3.31Å; C164-E328 PolarHBondContact N-OE1 3.3Å; F165-E328 HydrophobicContact CE1-CB 4.31Å; F165-E328 HydrophobicContact CE1-CG 4.39Å; F165-E328 HydrophobicContact CZ-CG 4.4Å; E328-R330 VanDerWaalsContact CD-N 3.27Å; E328-R330 WeakPolarHBondContact OE1-CB 3.34Å; E328-R330 PolarHBondContact OE1-N 2.96Å; E328-R330 WeakPolarHBondContact OE2-CB 3.42Å; E328-R330 PolarHBondContact OE2-N 2.89Å
329L95.8Very high95.5Very high0 Ų031.4 Ų31.40%016%0.156CC..  trans-114.4-5.3-169-54.9-175.8000114.4Y156 C164 G166 L319 A322 R323 R327 F331 Y332 K333Y156-L329 HydrophobicContact CD1-CD1 3.78Å; Y156-L329 HydrophobicContact CE1-CD1 3.76Å; C164-L329 HydrophobicContact CB-CB 4.25Å; C164-L329 PolarHBondContact O-N 3.32Å; G166-L329 VanDerWaalsContact N-CD1 3.35Å; L319-L329 HydrophobicContact CD1-CB 4.09Å; L319-L329 HydrophobicContact CD1-CD1 4.37Å; L319-L329 HydrophobicContact CD1-CD2 4.31Å; L319-L329 HydrophobicContact CD1-CG 4.49Å; A322-L329 HydrophobicContact CB-CD2 3.61Å; R323-L329 HydrophobicContact CB-CD1 3.97Å; R323-L329 HydrophobicContact CB-CD2 4.2Å; R323-L329 HydrophobicContact CG-CD1 4.1Å; R327-L329 WeakPolarHBondContact O-CD2 3.27Å; R327-L329 WeakPolarHBondContact O-CG 3.38Å; L329-F331 VanDerWaalsContact C-N 3.34Å; L329-F331 PolarHBondContact O-N 2.85Å; L329-Y332 PolarHBondContact O-N 3.39Å; L329-K333 WeakPolarHBondContact O-CB 3.41Å; L329-K333 PolarHBondContact O-N 3.11Å
330R94.7Very high95.5Very high22 Ų2235.6 Ų35.68%0.08318%0.177CC..Hα-helixtrans-59.1-46.7-172-176.1-173.5-166.2160.1-3111.3G161 G162 C164 E249 T252 E328 Y332 K333 E334G161-R330 PolarHBondContact O-NH1 3.39Å; G162-R330 VanDerWaalsContact CA-CZ 3.45Å; G162-R330 WeakPolarHBondContact O-CD 3.48Å; G162-R330 WeakPolarHBondContact O-CG 3.45Å; G162-R330 PolarHBondContact O-NE 3.12Å; C164-R330 HydrophobicContact CB-CB 4.07Å; E249-R330 VanDerWaalsContact CD-CZ 3.4Å; E249-R330 VanDerWaalsContact CD-NH1 3.33Å; E249-R330 IonicContact OE1-CZ 3.4Å; E249-R330 IonicContact OE1-NH1 2.98Å; E249-R330 IonicContact OE1-NH2 2.8Å; E249-R330 PolarHBondContact OE1-NH2 3.36Å; E249-R330 IonicContact OE2-CZ 3.74Å; E249-R330 IonicContact OE2-NE 3.76Å; E249-R330 PolarHBondContact OE2-NE 3.38Å; E249-R330 IonicContact OE2-NH1 3.55Å; E249-R330 PolarHBondContact OE2-NH1 3.12Å; E249-R330 IonicContact OE2-NH2 3.78Å; E249-R330 PolarHBondContact OE2-NH2 3.03Å; T252-R330 HydrophobicContact CG2-CG 4.16Å; E328-R330 VanDerWaalsContact CD-N 3.27Å; E328-R330 WeakPolarHBondContact OE1-CB 3.34Å; E328-R330 PolarHBondContact OE1-N 2.96Å; E328-R330 WeakPolarHBondContact OE2-CB 3.42Å; E328-R330 PolarHBondContact OE2-N 2.89Å; R330-Y332 VanDerWaalsContact C-N 3.32Å; R330-Y332 PolarHBondContact O-N 3.32Å; R330-K333 PolarHBondContact O-N 3.39Å; R330-E334 HydrophobicContact CG-CG 4.03Å; R330-E334 WeakPolarHBondContact O-CB 3.45Å; R330-E334 VanDerWaalsContact O-CG 3.25Å; R330-E334 WeakPolarHBondContact O-CG 3.35Å; R330-E334 PolarHBondContact O-N 3.4Å
331F95.8Very high95.5Very high27 Ų2735.5 Ų35.512%0.11818%0.178CC..Hα-helixtrans-54.7-47.6178.5172.1-110.4000112.4T252 Q255 L256 W259 L329 E334 K335T252-F331 HydrophobicContact CG2-CB 4.33Å; Q255-F331 HydrophobicContact CB-CD2 3.65Å; Q255-F331 HydrophobicContact CB-CE2 3.52Å; Q255-F331 HydrophobicContact CB-CG 4.48Å; Q255-F331 HydrophobicContact CB-CZ 4.25Å; L256-F331 HydrophobicContact CD2-CD2 3.89Å; L256-F331 HydrophobicContact CD2-CE2 3.78Å; L256-F331 HydrophobicContact CG-CD2 3.98Å; L256-F331 HydrophobicContact CG-CE2 4.07Å; W259-F331 HydrophobicContact CB-CE2 4.5Å; W259-F331 HydrophobicContact CB-CZ 4.34Å; L329-F331 VanDerWaalsContact C-N 3.34Å; L329-F331 PolarHBondContact O-N 2.85Å; F331-E334 PolarHBondContact O-N 2.81Å; F331-K335 HydrophobicContact CD1-CD 4.29Å; F331-K335 HydrophobicContact CE1-CD 3.58Å; F331-K335 HydrophobicContact CE1-CG 4.37Å; F331-K335 HydrophobicContact CE2-CD 4.04Å; F331-K335 HydrophobicContact CE2-CG 4.08Å; F331-K335 HydrophobicContact CZ-CD 3.44Å; F331-K335 VanDerWaalsContact CZ-CD 3.44Å; F331-K335 HydrophobicContact CZ-CG 4.01Å; F331-K335 WeakPolarHBondContact O-CG 3.43Å; F331-K335 PolarHBondContact O-N 2.91Å
332Y96.6Very high95.6Very high30 Ų3031.3 Ų31.312%0.11816%0.156CC..Hα-helixtrans-70.3-37.4-178.8-56.6-76.6000112.6T315 E318 A322 L329 R330 K336T315-Y332 WeakPolarHBondContact CG2-O 3.48Å; E318-Y332 HydrophobicContact CB-CD1 3.69Å; E318-Y332 HydrophobicContact CB-CE1 3.67Å; E318-Y332 HydrophobicContact CG-CE1 4.46Å; A322-Y332 HydrophobicContact CB-CD2 3.74Å; A322-Y332 HydrophobicContact CB-CE2 3.42Å; A322-Y332 VanDerWaalsContact CB-CE2 3.42Å; L329-Y332 PolarHBondContact O-N 3.39Å; R330-Y332 VanDerWaalsContact C-N 3.32Å; R330-Y332 PolarHBondContact O-N 3.32Å; Y332-K336 PolarHBondContact O-N 2.95Å; Y332-K336 VanDerWaalsContact O-N 3.08Å
333K96Very high95.6Very high16 Ų1633.9 Ų33.97%0.0717%0.171CC..Hα-helixtrans-62.6-48.5173.7-84.9-84.5-76.9160.30111.1E144 L319 L329 R330 K335 K336 D337E144-K333 IonicContact OE1-NZ 3.35Å; E144-K333 PolarHBondContact OE1-NZ 3.03Å; E144-K333 IonicContact OE2-NZ 2.68Å; E144-K333 PolarHBondContact OE2-NZ 3.28Å; L319-K333 HydrophobicContact CD1-CG 4.15Å; L319-K333 HydrophobicContact CD2-CD 4.44Å; L329-K333 WeakPolarHBondContact O-CB 3.41Å; L329-K333 PolarHBondContact O-N 3.11Å; R330-K333 PolarHBondContact O-N 3.39Å; K333-K335 PolarHBondContact O-N 2.93Å; K333-K336 WeakPolarHBondContact O-CB 3.35Å; K333-K336 PolarHBondContact O-N 3.26Å; K333-K336 VanDerWaalsContact O-N 3.12Å; K333-D337 VanDerWaalsContact O-CG 3.26Å; K333-D337 PolarHBondContact O-N 3.21Å
334E96.6Very high95.5Very high19 Ų1935.3 Ų35.39%0.08919%0.19CC..Hα-helixtrans-64.4-39.9178.8-67.5-74.4-176.400111.7L256 L285 R290 R330 F331 K336 D337 I338L256-E334 HydrophobicContact CD1-CB 3.82Å; L256-E334 HydrophobicContact CD1-CG 4.49Å; L256-E334 HydrophobicContact CD2-CB 4.28Å; L285-E334 HydrophobicContact CD2-CB 3.93Å; L285-E334 HydrophobicContact CD2-CG 3.46Å; L285-E334 VanDerWaalsContact CD2-CG 3.46Å; L285-E334 WeakPolarHBondContact CD2-OE1 3.47Å; L285-E334 WeakPolarHBondContact CD2-OE2 3.48Å; R290-E334 IonicContact CZ-OE1 3.11Å; R290-E334 IonicContact CZ-OE2 3.02Å; R290-E334 IonicContact NE-OE1 3.05Å; R290-E334 IonicContact NE-OE2 2.89Å; R290-E334 PolarHBondContact NE-OE2 3.43Å; R290-E334 IonicContact NH2-OE1 3.54Å; R290-E334 PolarHBondContact NH2-OE1 2.99Å; R290-E334 IonicContact NH2-OE2 3.96Å; R290-E334 PolarHBondContact NH2-OE2 3.3Å; R330-E334 HydrophobicContact CG-CG 4.03Å; R330-E334 WeakPolarHBondContact O-CB 3.45Å; R330-E334 VanDerWaalsContact O-CG 3.25Å; R330-E334 WeakPolarHBondContact O-CG 3.35Å; R330-E334 PolarHBondContact O-N 3.4Å; F331-E334 PolarHBondContact O-N 2.81Å; E334-K336 VanDerWaalsContact C-N 3.32Å; E334-K336 PolarHBondContact O-N 3.39Å; E334-D337 PolarHBondContact O-N 3.26Å; E334-I338 WeakPolarHBondContact O-CB 3.25Å; E334-I338 WeakPolarHBondContact O-CD1 3.33Å; E334-I338 WeakPolarHBondContact O-CG1 3.41Å; E334-I338 PolarHBondContact O-N 3.39Å
335K97.4Very high95.5Very high6 Ų634.7 Ų34.73%0.02619%0.185CC..Hα-helixtrans-53.3-51169.9-80.2-174.952.3171.60111L256 W259 E311 T315 E318 F331 K333 L339L256-K335 HydrophobicContact CD2-CG 3.84Å; W259-K335 HydrophobicContact CD2-CD 4.01Å; W259-K335 HydrophobicContact CD2-CG 3.79Å; W259-K335 VanDerWaalsContact CE2-CE 3.43Å; W259-K335 HydrophobicContact CE3-CG 3.87Å; W259-K335 HydrophobicContact CG-CD 4.18Å; W259-K335 HydrophobicContact CG-CG 4.41Å; W259-K335 HydrophobicContact CH2-CB 4.05Å; W259-K335 HydrophobicContact CH2-CG 4Å; W259-K335 HydrophobicContact CZ2-CB 4.14Å; W259-K335 HydrophobicContact CZ2-CD 4.32Å; W259-K335 HydrophobicContact CZ2-CG 3.94Å; W259-K335 HydrophobicContact CZ3-CB 4.37Å; W259-K335 HydrophobicContact CZ3-CG 3.97Å; W259-K335 VanDerWaalsContact NE1-CE 3.3Å; E311-K335 IonicContact OE1-NZ 2.96Å; E311-K335 PolarHBondContact OE1-NZ 2.88Å; T315-K335 HydrophobicContact CG2-CB 3.51Å; T315-K335 HydrophobicContact CG2-CD 4.46Å; T315-K335 WeakPolarHBondContact OG1-CE 3.26Å; T315-K335 PolarHBondContact OG1-NZ 3.4Å; E318-K335 IonicContact OE1-NZ 3Å; E318-K335 IonicContact OE2-NZ 2.75Å; E318-K335 PolarHBondContact OE2-NZ 3.22Å; F331-K335 HydrophobicContact CD1-CD 4.29Å; F331-K335 HydrophobicContact CE1-CD 3.58Å; F331-K335 HydrophobicContact CE1-CG 4.37Å; F331-K335 HydrophobicContact CE2-CD 4.04Å; F331-K335 HydrophobicContact CE2-CG 4.08Å; F331-K335 HydrophobicContact CZ-CD 3.44Å; F331-K335 VanDerWaalsContact CZ-CD 3.44Å; F331-K335 HydrophobicContact CZ-CG 4.01Å; F331-K335 WeakPolarHBondContact O-CG 3.43Å; F331-K335 PolarHBondContact O-N 2.91Å; K333-K335 PolarHBondContact O-N 2.93Å; K335-L339 WeakPolarHBondContact O-CD1 3.38Å; K335-L339 VanDerWaalsContact O-CG 3.25Å; K335-L339 WeakPolarHBondContact O-CG 3.27Å; K335-L339 PolarHBondContact O-N 2.94Å
336K97.4Very high95.5Very high60 Ų6034 Ų3426%0.26117%0.174SC..Hα-helixtrans-61.8-46.8-179.3175.7170.2173.9150.10111.3L312 T315 E316 L319 Y332 K333 E334 I338 L339 M340L312-K336 HydrophobicContact CD1-CG 4.1Å; T315-K336 HydrophobicContact CG2-CB 4.01Å; E316-K336 HydrophobicContact CG-CD 4.32Å; E316-K336 IonicContact OE1-NZ 3.89Å; E316-K336 PolarHBondContact OE1-NZ 3.01Å; L319-K336 HydrophobicContact CD2-CD 4.33Å; Y332-K336 PolarHBondContact O-N 2.95Å; Y332-K336 VanDerWaalsContact O-N 3.08Å; K333-K336 WeakPolarHBondContact O-CB 3.35Å; K333-K336 PolarHBondContact O-N 3.26Å; K333-K336 VanDerWaalsContact O-N 3.12Å; E334-K336 VanDerWaalsContact C-N 3.32Å; E334-K336 PolarHBondContact O-N 3.39Å; K336-I338 PolarHBondContact O-N 3.1Å; K336-L339 PolarHBondContact O-N 2.95Å; K336-M340 HydrophobicContact CG-CG 4.36Å; K336-M340 WeakPolarHBondContact O-CB 3.49Å; K336-M340 VanDerWaalsContact O-CG 3.3Å; K336-M340 WeakPolarHBondContact O-CG 3.31Å; K336-M340 PolarHBondContact O-N 3.29Å
337D96.8Very high95.5Very high67 Ų6737 Ų3736%0.35819%0.194SC..Hα-helixtrans-66.2-39.7-176.8-66.3-18.4000111.4K333 E334 M340 L341K333-D337 VanDerWaalsContact O-CG 3.26Å; K333-D337 PolarHBondContact O-N 3.21Å; E334-D337 PolarHBondContact O-N 3.26Å; D337-M340 PolarHBondContact O-N 3.16Å; D337-L341 WeakPolarHBondContact O-CB 3.5Å; D337-L341 PolarHBondContact O-N 3.02Å
338I98.3Very high95.3Very high0 Ų036.4 Ų36.40%021%0.205CC..Hα-helixtrans-63.2-43.7174-70.1163.6000111.6L256 W259 R290 M293 A294 E334 K336 L341 A342L256-I338 HydrophobicContact CD1-CD1 4.33Å; L256-I338 HydrophobicContact CD2-CD1 4.17Å; W259-I338 HydrophobicContact CH2-CG2 4.39Å; W259-I338 HydrophobicContact CZ3-CD1 4.37Å; W259-I338 HydrophobicContact CZ3-CG2 4.25Å; R290-I338 HydrophobicContact CB-CG1 4.23Å; R290-I338 HydrophobicContact CG-CG1 4.16Å; M293-I338 HydrophobicContact CB-CD1 4.25Å; M293-I338 HydrophobicContact CB-CG2 3.77Å; M293-I338 HydrophobicContact SD-CD1 3.64Å; A294-I338 HydrophobicContact CB-CG2 4.31Å; E334-I338 WeakPolarHBondContact O-CB 3.25Å; E334-I338 WeakPolarHBondContact O-CD1 3.33Å; E334-I338 WeakPolarHBondContact O-CG1 3.41Å; E334-I338 PolarHBondContact O-N 3.39Å; K336-I338 PolarHBondContact O-N 3.1Å; I338-L341 WeakPolarHBondContact O-CB 3.29Å; I338-L341 PolarHBondContact O-N 3.29Å; I338-A342 PolarHBondContact O-N 2.91Å
339L98.1Very high94.9Very high0 Ų037.1 Ų37.10%022%0.218CC..Hα-helixtrans-65.7-42.2177.3-69.1165.7000111.4W259 W297 I308 E311 L312 K335 K336 L341 A342 V343W259-L339 HydrophobicContact CH2-CD1 4.29Å; W259-L339 HydrophobicContact CH2-CD2 4.15Å; W259-L339 HydrophobicContact CH2-CG 3.92Å; W259-L339 HydrophobicContact CZ2-CD1 4.02Å; W259-L339 HydrophobicContact CZ2-CD2 4.12Å; W259-L339 HydrophobicContact CZ2-CG 4.06Å; W297-L339 HydrophobicContact CD2-CD2 3.74Å; W297-L339 HydrophobicContact CE3-CD2 4.1Å; W297-L339 HydrophobicContact CG-CD2 3.98Å; W297-L339 HydrophobicContact CZ2-CD2 4.48Å; I308-L339 HydrophobicContact CG2-CD2 4.26Å; E311-L339 HydrophobicContact CB-CD1 4.28Å; E311-L339 HydrophobicContact CB-CD2 4.24Å; E311-L339 HydrophobicContact CG-CD1 3.86Å; E311-L339 HydrophobicContact CG-CD2 4.1Å; L312-L339 HydrophobicContact CB-CD1 4.18Å; L312-L339 HydrophobicContact CD1-CB 4Å; L312-L339 HydrophobicContact CD1-CD1 4.13Å; K335-L339 WeakPolarHBondContact O-CD1 3.38Å; K335-L339 VanDerWaalsContact O-CG 3.25Å; K335-L339 WeakPolarHBondContact O-CG 3.27Å; K335-L339 PolarHBondContact O-N 2.94Å; K336-L339 PolarHBondContact O-N 2.95Å; L339-L341 VanDerWaalsContact C-N 3.3Å; L339-L341 PolarHBondContact O-N 3.01Å; L339-A342 WeakPolarHBondContact O-CB 3.48Å; L339-A342 PolarHBondContact O-N 3.21Å; L339-A342 VanDerWaalsContact O-N 3.15Å; L339-V343 WeakPolarHBondContact O-CG2 3.3Å; L339-V343 PolarHBondContact O-N 3.25Å
340M97.1Very high94.2Very high93 Ų9342 Ų4246%0.45824%0.244SC..Hα-helixtrans-63-37.9175.4-72.9-60.3-58.700111.8L312 K336 D337 A342 V343 G344L312-M340 HydrophobicContact CD1-CG 4.41Å; L312-M340 HydrophobicContact CD1-SD 4.35Å; L312-M340 HydrophobicContact CD2-SD 3.88Å; K336-M340 HydrophobicContact CG-CG 4.36Å; K336-M340 WeakPolarHBondContact O-CB 3.49Å; K336-M340 VanDerWaalsContact O-CG 3.3Å; K336-M340 WeakPolarHBondContact O-CG 3.31Å; K336-M340 PolarHBondContact O-N 3.29Å; D337-M340 PolarHBondContact O-N 3.16Å; M340-A342 VanDerWaalsContact C-N 3.34Å; M340-V343 PolarHBondContact O-N 3.3Å; M340-G344 PolarHBondContact O-N 3.2Å
341L97.4Very high93.3Very high67 Ų6744 Ų4435%0.35127%0.266SS..Hα-helixtrans-61.3-43.3172.3-177.662.4000111.2R290 A294 D337 I338 L339 G344 Q345R290-L341 HydrophobicContact CB-CD2 4.33Å; A294-L341 HydrophobicContact CB-CB 4.06Å; A294-L341 HydrophobicContact CB-CD2 3.81Å; A294-L341 HydrophobicContact CB-CG 3.83Å; D337-L341 WeakPolarHBondContact O-CB 3.5Å; D337-L341 PolarHBondContact O-N 3.02Å; I338-L341 WeakPolarHBondContact O-CB 3.29Å; I338-L341 PolarHBondContact O-N 3.29Å; L339-L341 VanDerWaalsContact C-N 3.3Å; L339-L341 PolarHBondContact O-N 3.01Å; L341-G344 PolarHBondContact O-N 3.41Å; L341-Q345 WeakPolarHBondContact O-CG 3.4Å; L341-Q345 PolarHBondContact O-N 2.77Å
342A96.9Very high92.3Very high0 Ų047 Ų470%030%0.295CS..Hα-helixtrans-62.1-42.117600000112.3A294 W297 V298 I308 I338 L339 M340 G344 Q345 L346A294-A342 HydrophobicContact CB-CB 4.06Å; W297-A342 HydrophobicContact CB-CB 3.99Å; V298-A342 HydrophobicContact CG2-CB 3.89Å; I308-A342 HydrophobicContact CD1-CB 3.91Å; I338-A342 PolarHBondContact O-N 2.91Å; L339-A342 WeakPolarHBondContact O-CB 3.48Å; L339-A342 PolarHBondContact O-N 3.21Å; L339-A342 VanDerWaalsContact O-N 3.15Å; M340-A342 VanDerWaalsContact C-N 3.34Å; A342-G344 VanDerWaalsContact C-N 3.31Å; A342-G344 PolarHBondContact O-N 2.97Å; A342-Q345 PolarHBondContact O-N 3.3Å; A342-L346 PolarHBondContact O-N 3.07Å
343V96.1Very high90.8Very high54 Ų5450.7 Ų50.733%0.32732%0.321SS..Hα-helixtrans-60.1-41.5173.2174.50000111.3I308 L339 M340 L346 S347I308-V343 HydrophobicContact CG2-CG2 3.59Å; L339-V343 WeakPolarHBondContact O-CG2 3.3Å; L339-V343 PolarHBondContact O-N 3.25Å; M340-V343 PolarHBondContact O-N 3.3Å; V343-L346 PolarHBondContact O-N 2.76Å; V343-S347 WeakPolarHBondContact O-CB 3.15Å; V343-S347 PolarHBondContact O-N 2.85Å; V343-S347 PolarHBondContact O-OG 3.19Å
344G94.9Very high88.7Confident42 Ų4256.1 Ų56.143%0.43335%0.35SS..Hα-helixtrans-61.3-44.8175.700000112.7M340 L341 A342 L346 S347 A348M340-G344 PolarHBondContact O-N 3.2Å; L341-G344 PolarHBondContact O-N 3.41Å; A342-G344 VanDerWaalsContact C-N 3.31Å; A342-G344 PolarHBondContact O-N 2.97Å; G344-L346 PolarHBondContact O-N 3.48Å; G344-S347 PolarHBondContact O-N 3.46Å; G344-A348 PolarHBondContact O-N 3.27Å
345Q93.9Very high86.5Confident58 Ų5859.8 Ų59.827%0.27138%0.375SS..Hα-helixtrans-62-42.3176.9-69.9177.715.600112.2V298 L341 A342 A348 A349V298-Q345 HydrophobicContact CG2-CB 4.08Å; L341-Q345 WeakPolarHBondContact O-CG 3.4Å; L341-Q345 PolarHBondContact O-N 2.77Å; A342-Q345 PolarHBondContact O-N 3.3Å; Q345-A348 PolarHBondContact O-N 3.19Å; Q345-A349 PolarHBondContact O-N 2.92Å
346L91.3Very high84.3Confident34 Ų3465.6 Ų65.618%0.17842%0.417CS..Hα-helixtrans-62.4-43.4174.8-76.4166.5000112.2V298 E301 I308 A342 V343 G344 A348 A349 N350V298-L346 HydrophobicContact CG1-CD2 3.81Å; V298-L346 HydrophobicContact CG1-CG 4.2Å; V298-L346 HydrophobicContact CG2-CG 4.13Å; E301-L346 HydrophobicContact CB-CD1 4.19Å; E301-L346 HydrophobicContact CG-CD1 3.8Å; I308-L346 HydrophobicContact CD1-CD1 3.62Å; A342-L346 PolarHBondContact O-N 3.07Å; V343-L346 PolarHBondContact O-N 2.76Å; G344-L346 PolarHBondContact O-N 3.48Å; L346-A348 VanDerWaalsContact C-N 3.33Å; L346-A348 PolarHBondContact O-N 3.05Å; L346-A349 PolarHBondContact O-N 2.85Å; L346-N350 WeakPolarHBondContact O-CB 3.25Å; L346-N350 PolarHBondContact O-N 3.34Å; L346-N350 PolarHBondContact O-ND2 2.81Å
347S89.9Confident81.8Confident69 Ų6974.4 Ų74.448%0.48346%0.458SS..Hα-helixtrans-62.9-41.4179-57.40000111.5V343 G344 N350 A351V343-S347 WeakPolarHBondContact O-CB 3.15Å; V343-S347 PolarHBondContact O-N 2.85Å; V343-S347 PolarHBondContact O-OG 3.19Å; G344-S347 PolarHBondContact O-N 3.46Å; S347-N350 PolarHBondContact O-N 3.34Å; S347-A351 WeakPolarHBondContact O-CB 3.16Å; S347-A351 PolarHBondContact O-N 2.94Å
348A87.6Confident81.1Confident62 Ų6274.8 Ų74.851%0.51246%0.463SS..Hα-helixtrans-65.5-41.6175.900000112.5G344 Q345 L346 A351 A352G344-A348 PolarHBondContact O-N 3.27Å; Q345-A348 PolarHBondContact O-N 3.19Å; L346-A348 VanDerWaalsContact C-N 3.33Å; L346-A348 PolarHBondContact O-N 3.05Å; A348-A351 PolarHBondContact O-N 3.46Å; A348-A352 WeakPolarHBondContact O-CB 3.4Å; A348-A352 PolarHBondContact O-N 3.17Å
349A83.7Confident80.2Confident54 Ų5478.7 Ų78.745%0.44649%0.488SS..Hα-helixtrans-63.9-40.6176.500000112.5Q345 L346 A352 T353Q345-A349 PolarHBondContact O-N 2.92Å; L346-A349 PolarHBondContact O-N 2.85Å; A349-A352 PolarHBondContact O-N 2.85Å; A349-T353 PolarHBondContact O-N 2.89Å; A349-T353 PolarHBondContact O-OG1 2.68Å
350N81.3Confident79.2Confident101 Ų10183.1 Ų83.154%0.5452%0.515SS..Hα-helixtrans-67.4-36176-68.8-17.2000112.4L346 S347 T353L346-N350 WeakPolarHBondContact O-CB 3.25Å; L346-N350 PolarHBondContact O-N 3.34Å; L346-N350 PolarHBondContact O-ND2 2.81Å; S347-N350 PolarHBondContact O-N 3.34Å; N350-T353 WeakPolarHBondContact CA-OG1 3.4Å; N350-T353 PolarHBondContact O-N 3.4Å; N350-T353 PolarHBondContact O-OG1 3.38Å
351A77.1Confident78.1Confident66 Ų6682.5 Ų82.555%0.54552%0.518SS..Hα-helixtrans-69.1-37.7175.100000112.3S347 A348 T353 L354S347-A351 WeakPolarHBondContact O-CB 3.16Å; S347-A351 PolarHBondContact O-N 2.94Å; A348-A351 PolarHBondContact O-N 3.46Å; A351-T353 PolarHBondContact O-N 2.7Å; A351-L354 PolarHBondContact O-N 3.17Å
352A73.1Confident76.9Confident88 Ų8883.4 Ų83.473%0.72753%0.529SS*.Hα-helixtrans-69.9-17.4178.300000113.9A348 A349A348-A352 WeakPolarHBondContact O-CB 3.4Å; A348-A352 PolarHBondContact O-N 3.17Å; A349-A352 PolarHBondContact O-N 2.85Å
353T66.8Low75.6Confident109 Ų10989 Ų8967%0.66956%0.564SS**THydrogen-bonded Turntrans-95.5-5.5-178.136.40000113.8A349 N350 A351A349-T353 PolarHBondContact O-N 2.89Å; A349-T353 PolarHBondContact O-OG1 2.68Å; N350-T353 WeakPolarHBondContact CA-OG1 3.4Å; N350-T353 PolarHBondContact O-N 3.4Å; N350-T353 PolarHBondContact O-OG1 3.38Å; A351-T353 PolarHBondContact O-N 2.7Å
354L51.1Low74.1Confident130 Ų13091.5 Ų91.568%0.68158%0.581SS**SBendtrans-85.4121.6172.9-81.7152.6000110A351 S356A351-L354 PolarHBondContact O-N 3.17Å; L354-S356 PolarHBondContact O-N 2.61Å
355P50.2Low72.5Confident95 Ų9595.3 Ų95.362%0.61759%0.592SS**  trans-63.8133.4176.124.6-29.9000109.9H357P355-H357 PolarHBondContact O-N 2.63Å; P355-H357 VanDerWaalsContact O-N 3.09Å
356S52.7Low70.7Confident128 Ų12898.4 Ų98.490%0.89562%0.619SS**  trans-66.2106.7169.6-51.10000107.2L354L354-S356 PolarHBondContact O-N 2.61Å
357H44Very low68.8Low245 Ų245104.3 Ų104.3100%1.13466%0.659SS**  trans-80.30176.8-94.3-71.4000112P355P355-H357 PolarHBondContact O-N 2.63Å; P355-H357 VanDerWaalsContact O-N 3.09Å

Retrieved 357 of 357 residues in 606.5 ms (Link to these results)