A0A068BEP5_MOUSE Loading...

Death domain-associated protein 6

AlphaFold DB , UniProt , Accession A0A068BEP5, Species MOUSE (Mus musculus, Mouse), Gene Daxx, Length 739 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.7Very low35.7Very low239 Ų239143.5 Ų143.5100%1.17781%0.808SS**  087.40-65.9174.7176.100104.7
2A34.1Very low35.7Very low90 Ų90145 Ų14574%0.74481%0.812SS**  74.2124.652.700000110.6
3T35.7Very low35.6Very low126 Ų126146.4 Ų146.477%0.77382%0.817SS**  cis-139.2144.5-4.538.10000107.8
4D41.1Very low35.4Very low143 Ų143147.4 Ų147.477%0.76582%0.82SS**  69.993.156.6-67.91000113.6
5D40.3Very low35.5Very low165 Ų165149.5 Ų149.588%0.88282%0.821SS**  trans45.4147.5137.2-65.2-7.4000124.4
6S38Very low35.6Very low112 Ų112149.7 Ų149.778%0.78382%0.82SS**  trans-92.9135179.2-177.80000111.8
7I36Very low35.6Very low152 Ų152151.5 Ų151.578%0.77982%0.822SS**  trans-121.3130.2168-64.5178000107.7V9I7-V9 HydrophobicContact CG2-CG2 4.47Å
8I35.2Very low35.5Very low144 Ų144147.6 Ų147.674%0.73881%0.813SS**  trans-90125.6173.9-60.5171.5000107.7L10I8-L10 HydrophobicContact CG2-CG 4.4Å
9V33.6Very low35.4Very low109 Ų109144.8 Ų144.866%0.66181%0.812SS**  trans-113.7135.9164.2179.20000107I7I7-V9 HydrophobicContact CG2-CG2 4.47Å
10L31.4Very low35.2Very low149 Ų149142.2 Ų142.278%0.7881%0.809SS**  trans-118.1115166.7-67.6171.7000106.3I8I8-L10 HydrophobicContact CG2-CG 4.4Å
11D32.8Very low35.1Very low150 Ų150144 Ų14480%0.80281%0.811SS**  trans-121.9131.9154-78.4-53.9000104.5
12D35.8Very low35.4Very low161 Ų161138.3 Ų138.386%0.86179%0.792SS**  trans-79155.1-173.6-75-55.1000112.4
13D33.7Very low35Very low163 Ų163137.4 Ų137.487%0.87279%0.791SS**  trans-71.4146.6-170.6-59.8-69.4000115.1
14D33.2Very low35.4Very low160 Ų160137.2 Ų137.286%0.85679%0.792SS**  trans-111.7140.9162.4-113.4-34.1000109.2
15E37.3Very low34.8Very low180 Ų180134.9 Ų134.984%0.84179%0.787SS**  trans67.1161.3-179.5-46.4-160.3121.300114.9
16D37.2Very low34.2Very low152 Ų152134.5 Ų134.581%0.81379%0.785SS**  cis-155.7-162.321.6-165.91.9000111.8
17E35Very low33.8Very low180 Ų180137.1 Ų137.184%0.84179%0.789SS**  trans82.3135.9-175.6-73.8-133.612800116.3
18A34.1Very low34.4Very low81 Ų81135.6 Ų135.667%0.66979%0.79SS**  cis-170.6168.7-1.300000109
19A33Very low34.8Very low96 Ų96134.5 Ų134.579%0.79379%0.792SS**  cis-178.4159.4-19.700000106.4
20A31.2Very low34.7Very low91 Ų91136.1 Ų136.175%0.75280%0.797SS**  cis-164.3-171.9-19.100000107.7
21Q34.7Very low35Very low180 Ų180134.5 Ų134.584%0.84180%0.795SS**  trans-137.8143.3173.6-78.1-75.9-33.700110.9
22P39.3Very low34.8Very low120 Ų120131.4 Ų131.478%0.77979%0.791SS**  trans-87.5128.4174.533-31.4000112.8
23G26.1Very low34.4Very low71 Ų71128.8 Ų128.873%0.73279%0.785SS**  trans-88.9-143.8170.900000113
24P44.7Very low34.2Very low123 Ų123127.3 Ų127.380%0.79978%0.782SS**  cis-114.8-1524.123.23.1000110.5
25S27.3Very low33.9Very low94 Ų94122.8 Ų122.866%0.65777%0.773SS**  cis-160.5149.118.7-50.50000114.7
26N28.8Very low33.9Very low157 Ų157120.5 Ų120.584%0.8477%0.774SS**  trans44.7120139.4-57.94.7000122.9
27L29.6Very low33.5Very low166 Ų166116.2 Ų116.287%0.86977%0.766SS**  trans-84-177.4145.5-62.9169.3000109.4
28P47.7Very low33.8Very low121 Ų121114.3 Ų114.379%0.78677%0.769SS**  cis-120.5-150.7-1.643.4-25.4000110.3
29P43.9Very low33.4Very low121 Ų121113.6 Ų113.679%0.78677%0.77SS**  cis-134.6-151.9-4.844-23.9000114.4
30N31.3Very low33.2Very low142 Ų142117.2 Ų117.276%0.75978%0.775SS**  trans-116.9146.6172.4-1665000108.8
31P39.1Very low33.1Very low115 Ų115117.8 Ų117.875%0.74777%0.773SS**  -153.5157.5101.240.2-22.6000117.8
32A27.4Very low32.9Very low86 Ų86117.2 Ų117.271%0.71177%0.771SS**  trans49.6113.1139.800000122.9
33S28.4Very low32.4Very low106 Ų106119.7 Ų119.774%0.74177%0.772SS**  79.1141.1128.5-163.10000122.1
34T28.5Very low32.6Very low132 Ų132121 Ų12181%0.8178%0.776SS**  trans73.4132.6155.48.40000119
35G27.4Very low31.9Very low65 Ų65121.9 Ų121.967%0.6778%0.779SS**  trans-77.2-170.9158.600000112
36P38Very low31.8Very low131 Ų131120.2 Ų120.285%0.85178%0.776SS**  cis-128.6179.137.640.7-27.1000115.2
37G27.8Very low31.8Very low63 Ų63120.8 Ų120.865%0.64978%0.779SS**  trans-69.4170.6161.500000112.1
38P41.7Very low31.7Very low139 Ų139117.9 Ų117.990%0.90377%0.772SS**  -149.9174.872.841-24.4000116.5
39G26.1Very low30.7Very low67 Ų67121.6 Ų121.669%0.69178%0.779SS**  trans106.695.5137.500000119.5
40L27.5Very low30.3Very low171 Ų171121.3 Ų121.390%0.89578%0.778SS**  trans44.6106.4133.5-62.1166.3000119.6
41S29.8Very low30.4Very low104 Ų104125.7 Ų125.773%0.72778%0.783SS**  -177.1129.1109.7-82.20000114.4
42Q31.3Very low30Very low167 Ų167126 Ų12678%0.7878%0.783SS**  28.7140.2128.3-64.4-17990.500120.4
43Q28.9Very low30.2Very low173 Ų173129.2 Ų129.281%0.80879%0.788SS**  cis-174.6125.7-2.1166.5-177103.600109.7
44A30.5Very low30.4Very low98 Ų98128.2 Ų128.281%0.8180%0.795SS**  trans-159.7128163.700000112.2
45T28.4Very low30.3Very low141 Ų141125.8 Ų125.887%0.86580%0.796SS**  trans-62.7148.7165.144.10000110.8
46G26.1Very low30.9Very low59 Ų59128.7 Ų128.761%0.60881%0.806SS**  cis96.7126.434.700000108.6
47L27.8Very low30.6Very low170 Ų170128.6 Ų128.689%0.8981%0.808SS**  cis-122.7161.724.6-54.393.7000111.9
48S27.3Very low31Very low105 Ų105133.3 Ų133.373%0.73482%0.818SS**  cis93.787.613.4-50.30000117.6
49E28.4Very low30.6Very low198 Ų198131.6 Ų131.693%0.92581%0.81SS**  trans-137.3157.7138.4-89.5-153.1118.800109.8
50P34.9Very low31.1Very low116 Ų116132.1 Ų132.175%0.75382%0.816SS**  trans-126.3166.9-149.443.2-29.8000116.9
51R32.7Very low31.7Very low233 Ų233128.8 Ų128.888%0.87981%0.807SS**  trans-67.7161.2152.5-90.6176.9158.1176.5-8.5109.4
52V32.3Very low32.7Very low122 Ų122135.2 Ų135.274%0.73982%0.815SS**  -171.1150.376.7157.10000109.8
53D31.1Very low34.3Very low154 Ų154135.1 Ų135.182%0.82481%0.812SS**  trans13.3138.8161.4-53.3-14.9000122.7
54G31.7Very low36.4Very low85 Ų85131.2 Ų131.288%0.87680%0.803SS**  112.8106.6108.300000117.7
55G26.1Very low39.3Very low81 Ų81129.8 Ų129.884%0.83578%0.777SS**  trans155.597.1165.500000114.1
56S40.4Very low42.2Very low125 Ų125128.7 Ų128.787%0.87476%0.76SS**  trans-76.8136.3173-63.60000111.5
57S32.5Very low45.3Very low129 Ų129132 Ų13290%0.90276%0.763SS**  trans-156.4149.7155.1-86.90000111
58N36.6Very low48.3Very low162 Ų162128.2 Ų128.287%0.86674%0.744SS**  trans-97.4124.4-155.9-171.414.4000113
59S31.5Very low51.6Low103 Ų103123.3 Ų123.372%0.7271%0.709SS**  trans-152.3127.7152.163.20000110.7S61S59-S61 PolarHBondContact O-N 3.39Å
60G37.8Very low54.7Low79 Ų79119 Ų11981%0.81469%0.689SS**  trans-76.457.4-176.500000113.9R62G60-R62 PolarHBondContact O-N 3.27Å
61S40.4Very low57.6Low101 Ų101120.5 Ų120.571%0.70668%0.684SS**  trans-64.5120.6177.4-169.20000110.8S59 K63S59-S61 PolarHBondContact O-N 3.39Å; S61-K63 PolarHBondContact O-N 2.81Å; S61-K63 VanDerWaalsContact O-N 3.09Å
62R49.3Very low60.6Low239 Ų239110.8 Ų110.890%0.90265%0.649SS**  trans-62.7111.4178.5-69.9179.7179.9144.1-0.1109.5G60 C64G60-R62 PolarHBondContact O-N 3.27Å; R62-C64 PolarHBondContact O-N 3.37Å; R62-C64 VanDerWaalsContact O-N 3.1Å
63K65.9Low63.6Low164 Ų164105.1 Ų105.171%0.71362%0.615SS**  trans-54.2116.5173.5-67.2-178.3-179.8179.10109.3S61 Y65S61-K63 PolarHBondContact O-N 2.81Å; S61-K63 VanDerWaalsContact O-N 3.09Å; K63-Y65 HydrophobicContact CB-CD2 4.41Å; K63-Y65 HydrophobicContact CB-CE2 3.75Å; K63-Y65 WeakPolarHBondContact O-CD2 3.37Å; K63-Y65 WeakPolarHBondContact O-CE2 3.45Å; K63-Y65 PolarHBondContact O-N 3.36Å
64C73.5Confident66.7Low92 Ų92101.5 Ų101.562%0.62259%0.593SS**  trans-91.799178.7-173.50000109.2R62 K66R62-C64 PolarHBondContact O-N 3.37Å; R62-C64 VanDerWaalsContact O-N 3.1Å; C64-K66 PolarHBondContact O-N 2.74Å
65Y90.7Very high69.7Low67 Ų67100.3 Ų100.326%0.26357%0.565SS.*THydrogen-bonded Turntrans-70.73.1-174-67.6-90.6000114.2K63 L67 D68 N69 A107 A109 C112K63-Y65 HydrophobicContact CB-CD2 4.41Å; K63-Y65 HydrophobicContact CB-CE2 3.75Å; K63-Y65 WeakPolarHBondContact O-CD2 3.37Å; K63-Y65 WeakPolarHBondContact O-CE2 3.45Å; K63-Y65 PolarHBondContact O-N 3.36Å; Y65-L67 PolarHBondContact O-N 3.36Å; Y65-D68 PolarHBondContact O-N 2.94Å; Y65-N69 VanDerWaalsContact O-CB 3.25Å; Y65-N69 WeakPolarHBondContact O-CB 3.48Å; Y65-N69 PolarHBondContact O-N 3.09Å; Y65-N69 PolarHBondContact O-ND2 2.96Å; Y65-N69 PolarHBondContact O-OD1 3.16Å; Y65-A107 PolarHBondContact N-O 3.05Å; Y65-A109 HydrophobicContact CD2-CB 3.82Å; Y65-A109 HydrophobicContact CE1-CB 4.5Å; Y65-A109 HydrophobicContact CE2-CB 3.54Å; Y65-A109 HydrophobicContact CG-CB 4.44Å; Y65-C112 HydrophobicContact CD1-CB 3.82Å; Y65-C112 HydrophobicContact CE1-CB 4.48Å; Y65-C112 HydrophobicContact CG-CB 4.3Å
66K90.4Very high73Confident118 Ų11896.5 Ų96.551%0.51353%0.525SS..Hα-helixtrans-53.6-49.1-172.1-170.4-166.8171.3-162.40113.1C64 E70 A107C64-K66 PolarHBondContact O-N 2.74Å; K66-E70 WeakPolarHBondContact O-CB 3.41Å; K66-E70 PolarHBondContact O-N 3.06Å; K66-A107 HydrophobicContact CB-CB 4.04Å; K66-A107 HydrophobicContact CG-CB 4.46Å
67L90.2Very high75.6Confident129 Ų12990.5 Ų90.568%0.67548%0.483SS*.Hα-helixtrans-72-38.8-177.1-64.8176.1000112.1Y65 E70 K71Y65-L67 PolarHBondContact O-N 3.36Å; L67-E70 PolarHBondContact O-N 3.14Å; L67-K71 WeakPolarHBondContact O-CB 3.5Å; L67-K71 PolarHBondContact O-N 2.87Å
68D91.8Very high78.5Confident91 Ų9189.3 Ų89.349%0.48746%0.463SS..Hα-helixtrans-65.2-41.9176.1-59.8-45.5000110.9Y65 K71 L72Y65-D68 PolarHBondContact O-N 2.94Å; D68-K71 PolarHBondContact O-N 3.11Å; D68-L72 WeakPolarHBondContact O-CB 3.18Å; D68-L72 VanDerWaalsContact O-CG 3.24Å; D68-L72 WeakPolarHBondContact O-CG 3.4Å; D68-L72 PolarHBondContact O-N 3.46Å
69N94.8Very high81.1Confident1 Ų183.1 Ų83.11%0.00543%0.43CS..Hα-helixtrans-65-40.6176-69.5-9.1000112.5Y65 F73 L106 S108 F111 C112 L115Y65-N69 VanDerWaalsContact O-CB 3.25Å; Y65-N69 WeakPolarHBondContact O-CB 3.48Å; Y65-N69 PolarHBondContact O-N 3.09Å; Y65-N69 PolarHBondContact O-ND2 2.96Å; Y65-N69 PolarHBondContact O-OD1 3.16Å; N69-F73 VanDerWaalsContact O-CB 3.24Å; N69-F73 WeakPolarHBondContact O-CB 3.12Å; N69-F73 PolarHBondContact O-N 3.21Å; N69-L106 WeakPolarHBondContact CB-O 3.38Å; N69-L106 PolarHBondContact ND2-O 3.32Å; N69-S108 PolarHBondContact ND2-O 3.23Å; N69-F111 HydrophobicContact CB-CD1 3.8Å; N69-F111 HydrophobicContact CB-CE1 4.16Å; N69-C112 WeakPolarHBondContact OD1-CA 3.28Å; N69-C112 WeakPolarHBondContact OD1-CB 3.31Å; N69-C112 PolarHBondContact OD1-N 3.1Å; N69-L115 HydrophobicContact CB-CD1 4.3Å; N69-L115 WeakPolarHBondContact O-CD1 3.13Å
70E94.3Very high84Confident107 Ų10778.2 Ų78.250%0.540%0.396SS..Hα-helixtrans-64-43176.8-170.7161.5-165.400110.7K66 L67 F73 E74K66-E70 WeakPolarHBondContact O-CB 3.41Å; K66-E70 PolarHBondContact O-N 3.06Å; L67-E70 PolarHBondContact O-N 3.14Å; E70-F73 PolarHBondContact O-N 3.05Å; E70-E74 PolarHBondContact O-N 3.42Å; E70-E74 VanDerWaalsContact O-N 3.17Å
71K95.1Very high86.5Confident148 Ų14878.3 Ų78.364%0.64337%0.374SS*.Hα-helixtrans-63.8-50.3173.4-177.7-175.5174.2-1720112.9L67 D68 F73 E74 E75L67-K71 WeakPolarHBondContact O-CB 3.5Å; L67-K71 PolarHBondContact O-N 2.87Å; D68-K71 PolarHBondContact O-N 3.11Å; K71-F73 VanDerWaalsContact C-N 3.25Å; K71-F73 PolarHBondContact O-N 3.22Å; K71-E74 PolarHBondContact O-N 2.78Å; K71-E75 WeakPolarHBondContact O-CB 3.47Å; K71-E75 PolarHBondContact O-N 3.14Å
72L95.5Very high88.9Confident30 Ų3077.9 Ų77.916%0.15737%0.367CS..Hα-helixtrans-64.2-30.7179.6-72169.1000112D68 F76 L115 L119D68-L72 WeakPolarHBondContact O-CB 3.18Å; D68-L72 VanDerWaalsContact O-CG 3.24Å; D68-L72 WeakPolarHBondContact O-CG 3.4Å; D68-L72 PolarHBondContact O-N 3.46Å; L72-F76 PolarHBondContact O-N 2.93Å; L72-F76 VanDerWaalsContact O-N 3.1Å; L72-L115 HydrophobicContact CB-CB 3.98Å; L72-L115 HydrophobicContact CB-CD1 3.94Å; L72-L115 HydrophobicContact CD1-CB 4.49Å; L72-L119 HydrophobicContact CB-CD1 4.18Å; L72-L119 HydrophobicContact CD2-CD1 3.65Å; L72-L119 WeakPolarHBondContact O-CD1 3.2Å
73F96.4Very high90.7Very high2 Ų270.1 Ų70.11%0.00934%0.341CS..Hα-helixtrans-69.4-47.9174.9-173.7-106.6000111.5N69 E70 K71 E75 F76 L77 L94 H95 Q98 F111 L115 L136 L140N69-F73 VanDerWaalsContact O-CB 3.24Å; N69-F73 WeakPolarHBondContact O-CB 3.12Å; N69-F73 PolarHBondContact O-N 3.21Å; E70-F73 PolarHBondContact O-N 3.05Å; K71-F73 VanDerWaalsContact C-N 3.25Å; K71-F73 PolarHBondContact O-N 3.22Å; F73-E75 VanDerWaalsContact C-N 3.31Å; F73-E75 PolarHBondContact O-N 3.23Å; F73-F76 PolarHBondContact O-N 2.96Å; F73-F76 VanDerWaalsContact O-N 3.11Å; F73-L77 HydrophobicContact CD1-CD1 3.87Å; F73-L77 HydrophobicContact CD1-CG 4.22Å; F73-L77 HydrophobicContact CE1-CD1 3.52Å; F73-L77 HydrophobicContact CE1-CD2 4.29Å; F73-L77 HydrophobicContact CE1-CG 3.99Å; F73-L77 HydrophobicContact CZ-CD1 4.17Å; F73-L77 HydrophobicContact CZ-CD2 4.11Å; F73-L77 HydrophobicContact CZ-CG 4.27Å; F73-L77 WeakPolarHBondContact O-CG 3.48Å; F73-L77 PolarHBondContact O-N 2.75Å; F73-L94 HydrophobicContact CZ-CB 4.22Å; F73-H95 AromaticContact CE1-ND1 4Å; F73-Q98 VanDerWaalsContact CD1-CD 3.41Å; F73-Q98 HydrophobicContact CD1-CG 4.28Å; F73-Q98 HydrophobicContact CE1-CB 3.86Å; F73-Q98 HydrophobicContact CE1-CG 3.9Å; F73-Q98 HydrophobicContact CE2-CB 4.28Å; F73-Q98 HydrophobicContact CE2-CG 4.4Å; F73-Q98 HydrophobicContact CZ-CB 3.62Å; F73-Q98 HydrophobicContact CZ-CG 3.97Å; F73-F111 HydrophobicContact CD2-CZ 4.21Å; F73-L115 HydrophobicContact CB-CD1 4.15Å; F73-L115 HydrophobicContact CB-CD2 4.41Å; F73-L115 HydrophobicContact CD2-CD2 3.96Å; F73-L136 HydrophobicContact CD2-CD2 4.27Å; F73-L136 HydrophobicContact CE2-CD2 4.01Å; F73-L140 HydrophobicContact CE2-CD1 4.09Å
74E95.5Very high91.8Very high78 Ų7862.4 Ų62.436%0.36431%0.307SS..Hα-helixtrans-64.7-36.6176.9-166.359.7-139.800111.8E70 K71 F76 L77 E78 K81 H95E70-E74 PolarHBondContact O-N 3.42Å; E70-E74 VanDerWaalsContact O-N 3.17Å; K71-E74 PolarHBondContact O-N 2.78Å; E74-F76 VanDerWaalsContact C-N 3.27Å; E74-F76 PolarHBondContact O-N 3.09Å; E74-L77 PolarHBondContact O-N 3.09Å; E74-L77 VanDerWaalsContact O-N 3.13Å; E74-E78 PolarHBondContact O-N 2.9Å; E74-K81 IonicContact OE1-NZ 2.67Å; E74-K81 PolarHBondContact OE1-NZ 3.39Å; E74-H95 IonicContact OE2-CE1 3.63Å
75E95.3Very high92.4Very high61 Ų6162.1 Ų62.129%0.28531%0.307SS..Hα-helixtrans-60.4-34.5172.7-171.1176.7162.500112.5K71 F73 L79 L119 R123K71-E75 WeakPolarHBondContact O-CB 3.47Å; K71-E75 PolarHBondContact O-N 3.14Å; F73-E75 VanDerWaalsContact C-N 3.31Å; F73-E75 PolarHBondContact O-N 3.23Å; E75-L79 PolarHBondContact O-N 3.1Å; E75-L119 HydrophobicContact CB-CD1 4.35Å; E75-L119 HydrophobicContact CB-CD2 4.48Å; E75-L119 HydrophobicContact CG-CD1 4.32Å; E75-L119 HydrophobicContact CG-CD2 4.07Å; E75-R123 IonicContact OE1-CZ 3.52Å; E75-R123 IonicContact OE1-NH1 2.66Å; E75-R123 PolarHBondContact OE1-NH1 3.15Å; E75-R123 IonicContact OE1-NH2 2.82Å; E75-R123 PolarHBondContact OE1-NH2 3.48Å
76F95.4Very high92.1Very high0 Ų065.5 Ų65.50%033%0.329CS..Hα-helixtrans-76-36172.9-177.2-107.9000112.5L72 F73 E74 L79 C80 L94 V118 L119 I129 I133 L136L72-F76 PolarHBondContact O-N 2.93Å; L72-F76 VanDerWaalsContact O-N 3.1Å; F73-F76 PolarHBondContact O-N 2.96Å; F73-F76 VanDerWaalsContact O-N 3.11Å; E74-F76 VanDerWaalsContact C-N 3.27Å; E74-F76 PolarHBondContact O-N 3.09Å; F76-L79 PolarHBondContact O-N 2.94Å; F76-C80 WeakPolarHBondContact CE1-SG 3.21Å; F76-C80 VanDerWaalsContact CZ-SG 3.59Å; F76-C80 PolarHBondContact O-N 3.23Å; F76-C80 PolarHBondContact O-SG 3.02Å; F76-L94 HydrophobicContact CE1-CD1 4.27Å; F76-V118 HydrophobicContact CD1-CG1 4.42Å; F76-V118 HydrophobicContact CD2-CG1 3.61Å; F76-V118 HydrophobicContact CE1-CG1 4.12Å; F76-V118 HydrophobicContact CE2-CG1 3.24Å; F76-V118 HydrophobicContact CG-CG1 4.19Å; F76-V118 HydrophobicContact CZ-CG1 3.52Å; F76-L119 HydrophobicContact CB-CD2 3.96Å; F76-L119 HydrophobicContact CB-CG 4.07Å; F76-L119 HydrophobicContact CD2-CD2 4.18Å; F76-L119 HydrophobicContact CD2-CG 4.31Å; F76-I129 HydrophobicContact CE2-CD1 4.24Å; F76-I129 HydrophobicContact CZ-CD1 4.48Å; F76-I133 HydrophobicContact CE1-CG1 4.24Å; F76-I133 HydrophobicContact CZ-CG1 3.97Å; F76-L136 HydrophobicContact CD1-CD2 3.45Å; F76-L136 VanDerWaalsContact CD1-CD2 3.45Å; F76-L136 HydrophobicContact CE1-CD2 3.5Å; F76-L136 HydrophobicContact CG-CD2 4.43Å
77L94.3Very high91.9Very high0 Ų064 Ų640%032%0.324CS..Hα-helixtrans-65.7-40.8175.8-68.5-176.5000112.1F73 E74 L79 C80 K81 V91 L94 H95F73-L77 HydrophobicContact CD1-CD1 3.87Å; F73-L77 HydrophobicContact CD1-CG 4.22Å; F73-L77 HydrophobicContact CE1-CD1 3.52Å; F73-L77 HydrophobicContact CE1-CD2 4.29Å; F73-L77 HydrophobicContact CE1-CG 3.99Å; F73-L77 HydrophobicContact CZ-CD1 4.17Å; F73-L77 HydrophobicContact CZ-CD2 4.11Å; F73-L77 HydrophobicContact CZ-CG 4.27Å; F73-L77 WeakPolarHBondContact O-CG 3.48Å; F73-L77 PolarHBondContact O-N 2.75Å; E74-L77 PolarHBondContact O-N 3.09Å; E74-L77 VanDerWaalsContact O-N 3.13Å; L77-L79 VanDerWaalsContact C-N 3.3Å; L77-L79 PolarHBondContact O-N 2.8Å; L77-C80 CarbonylContact O-C 3.56Å; L77-C80 WeakPolarHBondContact O-CA 3.23Å; L77-C80 WeakPolarHBondContact O-CB 3.49Å; L77-C80 PolarHBondContact O-N 3.06Å; L77-C80 VanDerWaalsContact O-N 3.08Å; L77-K81 WeakPolarHBondContact O-CG 3.32Å; L77-K81 PolarHBondContact O-N 3.18Å; L77-V91 HydrophobicContact CB-CG1 4.46Å; L77-V91 HydrophobicContact CD2-CG1 4.33Å; L77-L94 HydrophobicContact CD2-CB 3.63Å; L77-L94 HydrophobicContact CD2-CD1 3.65Å; L77-L94 HydrophobicContact CD2-CG 4.29Å; L77-H95 WeakPolarHBondContact CD1-CE1 3.24Å; L77-H95 WeakPolarHBondContact CD1-NE2 3.43Å
78E93.3Very high91.7Very high103 Ų10362.1 Ų62.148%0.48132%0.32SS..Hα-helixtrans-62.7-38.2177-161.461.4-140.600111.9E74 K81 T82E74-E78 PolarHBondContact O-N 2.9Å; E78-K81 PolarHBondContact O-N 2.7Å; E78-K81 WeakPolarHBondContact OE2-CD 3.35Å; E78-K81 WeakPolarHBondContact OE2-CE 3.46Å; E78-K81 IonicContact OE2-NZ 3.58Å; E78-K81 PolarHBondContact OE2-NZ 3.2Å; E78-T82 PolarHBondContact O-N 2.78Å; E78-T82 PolarHBondContact O-OG1 3.42Å; E78-T82 VanDerWaalsContact O-OG1 3.06Å
79L92.3Very high91.6Very high32 Ų3263 Ų6317%0.16832%0.321CS..Hα-helixtrans-63.7-41.6170.7-174.767.3000111.5E75 F76 L77 T82 E83 S122 R123 I129E75-L79 PolarHBondContact O-N 3.1Å; F76-L79 PolarHBondContact O-N 2.94Å; L77-L79 VanDerWaalsContact C-N 3.3Å; L77-L79 PolarHBondContact O-N 2.8Å; L79-T82 PolarHBondContact O-N 3.2Å; L79-E83 HydrophobicContact CD1-CG 3.89Å; L79-E83 HydrophobicContact CG-CG 4.13Å; L79-E83 WeakPolarHBondContact O-CB 3.48Å; L79-E83 WeakPolarHBondContact O-CG 3.47Å; L79-E83 PolarHBondContact O-N 2.88Å; L79-S122 WeakPolarHBondContact CD2-OG 3.08Å; L79-R123 HydrophobicContact CD2-CG 4.2Å; L79-I129 HydrophobicContact CD2-CD1 4.4Å; L79-I129 HydrophobicContact CG-CD1 4.49Å
80C91.6Very high91.3Very high0 Ų063.9 Ų63.90%033%0.326CS..Hα-helixtrans-64.1-40.6174.6-63.90000112.4F76 L77 T82 E83 T84 V91F76-C80 WeakPolarHBondContact CE1-SG 3.21Å; F76-C80 VanDerWaalsContact CZ-SG 3.59Å; F76-C80 PolarHBondContact O-N 3.23Å; F76-C80 PolarHBondContact O-SG 3.02Å; L77-C80 CarbonylContact O-C 3.56Å; L77-C80 WeakPolarHBondContact O-CA 3.23Å; L77-C80 WeakPolarHBondContact O-CB 3.49Å; L77-C80 PolarHBondContact O-N 3.06Å; L77-C80 VanDerWaalsContact O-N 3.08Å; C80-T82 PolarHBondContact O-N 3.33Å; C80-T82 VanDerWaalsContact O-N 3.17Å; C80-E83 PolarHBondContact O-N 2.88Å; C80-T84 PolarHBondContact O-N 2.73Å; C80-T84 PolarHBondContact O-OG1 3.47Å; C80-V91 HydrophobicContact CB-CG2 3.86Å
81K91.3Very high91.1Very high81 Ų8159.6 Ų59.635%0.35231%0.307SS..Hα-helixtrans-55.5-33.4174.6-66.8167.4-142.5169.10111.7E74 L77 E78 V91E74-K81 IonicContact OE1-NZ 2.67Å; E74-K81 PolarHBondContact OE1-NZ 3.39Å; L77-K81 WeakPolarHBondContact O-CG 3.32Å; L77-K81 PolarHBondContact O-N 3.18Å; E78-K81 PolarHBondContact O-N 2.7Å; E78-K81 WeakPolarHBondContact OE2-CD 3.35Å; E78-K81 WeakPolarHBondContact OE2-CE 3.46Å; E78-K81 IonicContact OE2-NZ 3.58Å; E78-K81 PolarHBondContact OE2-NZ 3.2Å; K81-V91 HydrophobicContact CG-CB 4.47Å; K81-V91 HydrophobicContact CG-CG1 4.18Å; K81-V91 HydrophobicContact CG-CG2 3.83Å
82T89.4Confident90.8Very high92 Ų9256.4 Ų56.456%0.56430%0.301SS*.Hα-helixtrans-81.9-49.5178.8-51.60000112.3E78 L79 C80E78-T82 PolarHBondContact O-N 2.78Å; E78-T82 PolarHBondContact O-OG1 3.42Å; E78-T82 VanDerWaalsContact O-OG1 3.06Å; L79-T82 PolarHBondContact O-N 3.2Å; C80-T82 PolarHBondContact O-N 3.33Å; C80-T82 VanDerWaalsContact O-N 3.17Å
83E88.5Confident90.5Very high76 Ų7659.8 Ų59.836%0.35532%0.315SS..Hα-helixtrans-86.8-12.4-170.5-63.3-67.9145.100114.4L79 C80 P126 I129L79-E83 HydrophobicContact CD1-CG 3.89Å; L79-E83 HydrophobicContact CG-CG 4.13Å; L79-E83 WeakPolarHBondContact O-CB 3.48Å; L79-E83 WeakPolarHBondContact O-CG 3.47Å; L79-E83 PolarHBondContact O-N 2.88Å; C80-E83 PolarHBondContact O-N 2.88Å; E83-P126 WeakPolarHBondContact OE2-CB 3.05Å; E83-I129 HydrophobicContact CB-CB 4.26Å; E83-I129 HydrophobicContact CB-CD1 4.36Å; E83-I129 HydrophobicContact CB-CG1 3.89Å; E83-I129 HydrophobicContact CB-CG2 4.2Å
84T88.3Confident90.3Very high2 Ų259.7 Ų59.71%0.01231%0.314CS..THydrogen-bonded Turntrans-122.642.9176.474.80000112C80 D86 H87 I129 Y130 I133C80-T84 PolarHBondContact O-N 2.73Å; C80-T84 PolarHBondContact O-OG1 3.47Å; T84-D86 PolarHBondContact O-N 3.37Å; T84-H87 CarbonylContact O-C 3.21Å; T84-H87 WeakPolarHBondContact O-CA 3.23Å; T84-H87 PolarHBondContact O-N 3.42Å; T84-I129 HydrophobicContact CG2-CG1 4.2Å; T84-I129 HydrophobicContact CG2-CG2 3.98Å; T84-Y130 WeakPolarHBondContact CB-OH 3.29Å; T84-Y130 HydrophobicContact CG2-CD1 4.23Å; T84-Y130 HydrophobicContact CG2-CE1 3.53Å; T84-Y130 HydrophobicContact CG2-CE2 4.28Å; T84-I133 HydrophobicContact CG2-CD1 3.59Å
85S85.2Confident90.1Very high87 Ų8758.8 Ų58.861%0.60831%0.31SS*.THydrogen-bonded Turntrans-60.1-29.6179.852.80000113.9H87S85-H87 PolarHBondContact O-N 2.86Å
86D86.2Confident89.9Confident137 Ų13762.4 Ų62.473%0.73333%0.325SS*.THydrogen-bonded Turntrans-68.8-20.6172-58.2-54.9000113.5T84T84-D86 PolarHBondContact O-N 3.37Å
87H84.9Confident89.6Confident88 Ų8863 Ų6341%0.40733%0.328SS..  trans-132.463.2-172.1-75.9-70.6000112.2T84 S85 E89 V90 Y130T84-H87 CarbonylContact O-C 3.21Å; T84-H87 WeakPolarHBondContact O-CA 3.23Å; T84-H87 PolarHBondContact O-N 3.42Å; S85-H87 PolarHBondContact O-N 2.86Å; H87-E89 WeakPolarHBondContact CA-OE2 3.42Å; H87-E89 IonicContact CE1-OE1 3.27Å; H87-E89 IonicContact CG-OE1 2.66Å; H87-E89 IonicContact ND1-OE1 3.27Å; H87-E89 PolarHBondContact ND1-OE1 3.01Å; H87-E89 PolarHBondContact O-N 2.73Å; H87-V90 HydrophobicContact CB-CG2 4.02Å; H87-V90 WeakPolarHBondContact O-CB 3.49Å; H87-V90 VanDerWaalsContact O-CG2 3.3Å; H87-V90 WeakPolarHBondContact O-CG2 3.11Å; H87-V90 PolarHBondContact O-N 3.2Å; H87-V90 VanDerWaalsContact O-N 3.13Å; H87-Y130 HydrophobicContact CB-CE1 4.49Å
88P86.5Confident89.5Confident89 Ų8964.6 Ų64.658%0.57834%0.335SS*.THydrogen-bonded Turntrans-61.9-17.2-175.927.1-36.1000114.2V90 P92P88-V90 PolarHBondContact O-N 3.29Å; P88-P92 WeakPolarHBondContact O-CD 3.36Å
89E89.1Confident89.3Confident110 Ų11067 Ų6751%0.51435%0.347SS..THydrogen-bonded Turntrans-63.9-19.8174.566.5-83.8-167.200114.4H87 V91 P92 F93H87-E89 WeakPolarHBondContact CA-OE2 3.42Å; H87-E89 IonicContact CE1-OE1 3.27Å; H87-E89 IonicContact CG-OE1 2.66Å; H87-E89 IonicContact ND1-OE1 3.27Å; H87-E89 PolarHBondContact ND1-OE1 3.01Å; H87-E89 PolarHBondContact O-N 2.73Å; E89-V91 PolarHBondContact O-N 3.23Å; E89-P92 WeakPolarHBondContact O-CD 3.38Å; E89-F93 VanDerWaalsContact O-CB 3.28Å; E89-F93 WeakPolarHBondContact O-CB 3.42Å; E89-F93 PolarHBondContact O-N 3.02Å
90V89.4Confident89.2Confident19 Ų1971.9 Ų71.912%0.11536%0.363CS..Hα-helixtrans-59.4-43.5-179.3167.10000112.3H87 P88 F93 L94 Y130 I133H87-V90 HydrophobicContact CB-CG2 4.02Å; H87-V90 WeakPolarHBondContact O-CB 3.49Å; H87-V90 VanDerWaalsContact O-CG2 3.3Å; H87-V90 WeakPolarHBondContact O-CG2 3.11Å; H87-V90 PolarHBondContact O-N 3.2Å; H87-V90 VanDerWaalsContact O-N 3.13Å; P88-V90 PolarHBondContact O-N 3.29Å; V90-F93 WeakPolarHBondContact O-CB 3.47Å; V90-F93 PolarHBondContact O-N 3.38Å; V90-L94 HydrophobicContact CG1-CD1 3.98Å; V90-L94 WeakPolarHBondContact O-CG 3.36Å; V90-L94 PolarHBondContact O-N 3.05Å; V90-Y130 HydrophobicContact CG2-CE1 4.47Å; V90-I133 HydrophobicContact CG1-CD1 3.81Å; V90-I133 HydrophobicContact CG1-CG1 4.37Å; V90-I133 HydrophobicContact CG1-CG2 4.09Å
91V89.8Confident89.2Confident16 Ų1672.1 Ų72.110%0.09737%0.365CS..Hα-helixtrans-72.9-47-173.9169.40000112L77 C80 K81 E89 F93 L94 H95L77-V91 HydrophobicContact CB-CG1 4.46Å; L77-V91 HydrophobicContact CD2-CG1 4.33Å; C80-V91 HydrophobicContact CB-CG2 3.86Å; K81-V91 HydrophobicContact CG-CB 4.47Å; K81-V91 HydrophobicContact CG-CG1 4.18Å; K81-V91 HydrophobicContact CG-CG2 3.83Å; E89-V91 PolarHBondContact O-N 3.23Å; V91-F93 VanDerWaalsContact C-N 3.27Å; V91-F93 PolarHBondContact O-N 2.88Å; V91-L94 PolarHBondContact O-N 2.99Å; V91-H95 PolarHBondContact O-N 3.1Å
92P89Confident89.3Confident81 Ų8172.5 Ų72.553%0.52637%0.368SS..Hα-helixtrans-57.2-36.2167.3-26.435.4000113.7P88 E89 K96P88-P92 WeakPolarHBondContact O-CD 3.36Å; E89-P92 WeakPolarHBondContact O-CD 3.38Å; P92-K96 VanDerWaalsContact O-CB 3.24Å; P92-K96 WeakPolarHBondContact O-CB 3.49Å; P92-K96 PolarHBondContact O-N 2.96Å
93F89.6Confident89.3Confident101 Ų10172.6 Ų72.644%0.44337%0.373SS..Hα-helixtrans-65.4-43.9176.2179.9-98.6000112E89 V90 V91 K96 L97E89-F93 VanDerWaalsContact O-CB 3.28Å; E89-F93 WeakPolarHBondContact O-CB 3.42Å; E89-F93 PolarHBondContact O-N 3.02Å; V90-F93 WeakPolarHBondContact O-CB 3.47Å; V90-F93 PolarHBondContact O-N 3.38Å; V91-F93 VanDerWaalsContact C-N 3.27Å; V91-F93 PolarHBondContact O-N 2.88Å; F93-K96 PolarHBondContact O-N 2.82Å; F93-L97 HydrophobicContact CE1-CD2 4.27Å; F93-L97 WeakPolarHBondContact O-CB 3.49Å; F93-L97 PolarHBondContact O-N 2.88Å
94L92.3Very high89.4Confident0 Ų074.5 Ų74.50%039%0.389CS..Hα-helixtrans-62.9-47.4176.2-76.9168.6000112.2F73 F76 L77 V90 V91 K96 L97 Q98 I133 L136 C137F73-L94 HydrophobicContact CZ-CB 4.22Å; F76-L94 HydrophobicContact CE1-CD1 4.27Å; L77-L94 HydrophobicContact CD2-CB 3.63Å; L77-L94 HydrophobicContact CD2-CD1 3.65Å; L77-L94 HydrophobicContact CD2-CG 4.29Å; V90-L94 HydrophobicContact CG1-CD1 3.98Å; V90-L94 WeakPolarHBondContact O-CG 3.36Å; V90-L94 PolarHBondContact O-N 3.05Å; V91-L94 PolarHBondContact O-N 2.99Å; L94-K96 PolarHBondContact O-N 3.02Å; L94-L97 PolarHBondContact O-N 3.21Å; L94-L97 VanDerWaalsContact O-N 3.14Å; L94-Q98 PolarHBondContact O-N 2.97Å; L94-I133 HydrophobicContact CD1-CG2 4.38Å; L94-I133 HydrophobicContact CD2-CG2 4.47Å; L94-L136 HydrophobicContact CD2-CD2 4.36Å; L94-C137 VanDerWaalsContact CD2-SG 3.51Å
95H91.1Very high89.7Confident59 Ų5974.9 Ų74.927%0.27339%0.391SS..Hα-helixtrans-57.9-47.7173.6-79.2-64.3000112F73 E74 L77 V91 L97 Q98 Q99F73-H95 AromaticContact CE1-ND1 4Å; E74-H95 IonicContact OE2-CE1 3.63Å; L77-H95 WeakPolarHBondContact CD1-CE1 3.24Å; L77-H95 WeakPolarHBondContact CD1-NE2 3.43Å; V91-H95 PolarHBondContact O-N 3.1Å; H95-L97 PolarHBondContact O-N 3.17Å; H95-Q98 PolarHBondContact O-N 3.24Å; H95-Q99 WeakPolarHBondContact O-CB 3.28Å; H95-Q99 VanDerWaalsContact O-CG 3.31Å; H95-Q99 WeakPolarHBondContact O-CG 3.3Å; H95-Q99 PolarHBondContact O-N 3.17Å
96K90.3Very high90.1Very high137 Ų13772.4 Ų72.460%0.59637%0.371SS*.Hα-helixtrans-61.3-25.1178.7-176.7174.6-177.5175.60112.6P92 F93 L94 R100P92-K96 VanDerWaalsContact O-CB 3.24Å; P92-K96 WeakPolarHBondContact O-CB 3.49Å; P92-K96 PolarHBondContact O-N 2.96Å; F93-K96 PolarHBondContact O-N 2.82Å; L94-K96 PolarHBondContact O-N 3.02Å; K96-R100 WeakPolarHBondContact O-CD 3.41Å; K96-R100 VanDerWaalsContact O-CG 3.3Å; K96-R100 WeakPolarHBondContact O-CG 3.46Å
97L89.8Confident90.5Very high12 Ų1267.3 Ų67.36%0.06335%0.348CS..Hα-helixtrans-86.2-40.3177.3-168.662.4000112F93 L94 H95 R100 A101 C137 L140 K141F93-L97 HydrophobicContact CE1-CD2 4.27Å; F93-L97 WeakPolarHBondContact O-CB 3.49Å; F93-L97 PolarHBondContact O-N 2.88Å; L94-L97 PolarHBondContact O-N 3.21Å; L94-L97 VanDerWaalsContact O-N 3.14Å; H95-L97 PolarHBondContact O-N 3.17Å; L97-R100 PolarHBondContact O-N 3.06Å; L97-R100 VanDerWaalsContact O-N 3.08Å; L97-A101 PolarHBondContact O-N 2.92Å; L97-C137 HydrophobicContact CD2-CB 3.94Å; L97-L140 HydrophobicContact CD2-CB 3.87Å; L97-L140 HydrophobicContact CG-CB 3.71Å; L97-K141 HydrophobicContact CD1-CG 3.79Å; L97-K141 HydrophobicContact CD2-CG 4.1Å
98Q90.9Very high90.9Very high34 Ų3464.4 Ų64.416%0.15934%0.337CS..Hα-helixtrans-58.5-46.4170.3-172.1-151.826.500111.2F73 L94 H95 R100 A101 L106 L140F73-Q98 VanDerWaalsContact CD1-CD 3.41Å; F73-Q98 HydrophobicContact CD1-CG 4.28Å; F73-Q98 HydrophobicContact CE1-CB 3.86Å; F73-Q98 HydrophobicContact CE1-CG 3.9Å; F73-Q98 HydrophobicContact CE2-CB 4.28Å; F73-Q98 HydrophobicContact CE2-CG 4.4Å; F73-Q98 HydrophobicContact CZ-CB 3.62Å; F73-Q98 HydrophobicContact CZ-CG 3.97Å; L94-Q98 PolarHBondContact O-N 2.97Å; H95-Q98 PolarHBondContact O-N 3.24Å; Q98-R100 PolarHBondContact O-N 3.17Å; Q98-A101 WeakPolarHBondContact O-CB 3.46Å; Q98-A101 PolarHBondContact O-N 3.24Å; Q98-L106 HydrophobicContact CG-CD1 4.37Å; Q98-L106 HydrophobicContact CG-CD2 3.85Å; Q98-L140 HydrophobicContact CB-CD1 4.4Å
99Q89.8Confident91.3Very high154 Ų15462 Ų6272%0.7233%0.325SS*.THydrogen-bonded Turntrans-60.4-17.4175.1-72.7175-0.500114.1H95H95-Q99 WeakPolarHBondContact O-CB 3.28Å; H95-Q99 VanDerWaalsContact O-CG 3.31Å; H95-Q99 WeakPolarHBondContact O-CG 3.3Å; H95-Q99 PolarHBondContact O-N 3.17Å
100R89.8Confident91.5Very high134 Ų13461.4 Ų61.451%0.50632%0.322SS..THydrogen-bonded Turntrans-97.1-9.2175-70.5177.267-172.11.2113.2K96 L97 Q98 S144 I145K96-R100 WeakPolarHBondContact O-CD 3.41Å; K96-R100 VanDerWaalsContact O-CG 3.3Å; K96-R100 WeakPolarHBondContact O-CG 3.46Å; L97-R100 PolarHBondContact O-N 3.06Å; L97-R100 VanDerWaalsContact O-N 3.08Å; Q98-R100 PolarHBondContact O-N 3.17Å; R100-S144 CarbonylContact O-C 3.5Å; R100-S144 VanDerWaalsContact O-CA 3.25Å; R100-S144 WeakPolarHBondContact O-CA 3.34Å; R100-I145 PolarHBondContact O-N 3.46Å
101A91.7Very high91.9Very high6 Ų660.5 Ų60.55%0.0532%0.316CS..BIsolated β-bridgetrans-73.9155.2176.200000111.7L97 Q98 L106 L140 H143L97-A101 PolarHBondContact O-N 2.92Å; Q98-A101 WeakPolarHBondContact O-CB 3.46Å; Q98-A101 PolarHBondContact O-N 3.24Å; A101-L106 HydrophobicContact CB-CD1 4.19Å; A101-L106 HydrophobicContact CB-CD2 3.94Å; A101-L106 HydrophobicContact CB-CG 4Å; A101-L140 HydrophobicContact CB-CD2 3.92Å; A101-H143 CarbonylContact C-O 3.58Å; A101-H143 WeakPolarHBondContact CA-O 3.4Å
102Q93.1Very high92.1Very high88 Ų8860.4 Ų60.441%0.41132%0.316SS..  trans-68.2133.7177-69.4168.829.100110.9V104 F105 L106 H143 I145Q102-V104 PolarHBondContact O-N 3.29Å; Q102-F105 HydrophobicContact CB-CB 4.34Å; Q102-F105 WeakPolarHBondContact O-CB 3.3Å; Q102-F105 PolarHBondContact O-N 2.94Å; Q102-L106 PolarHBondContact O-N 3.35Å; Q102-H143 WeakPolarHBondContact CG-O 3.31Å; Q102-H143 PolarHBondContact N-O 3.25Å; Q102-I145 HydrophobicContact CG-CG1 3.8Å
103S90.4Very high92.4Very high94 Ų9461.6 Ų61.666%0.65732%0.318SS*.Hα-helixtrans-59-33.1-179.251.60000113.7L106 A107S103-L106 PolarHBondContact O-N 3.43Å; S103-A107 PolarHBondContact O-N 3.06Å; S103-A107 VanDerWaalsContact O-N 3.15Å
104V90.9Very high92.8Very high117 Ų11757.4 Ų57.471%0.70930%0.3SS*.Hα-helixtrans-64.6-43.4174.9-177.40000111.1Q102 A107 S108Q102-V104 PolarHBondContact O-N 3.29Å; V104-A107 PolarHBondContact O-N 3.05Å; V104-S108 PolarHBondContact O-N 3.43Å
105F94.6Very high92.9Very high9 Ų957.4 Ų57.44%0.03930%0.3CS..Hα-helixtrans-65.6-44.3175.9174.7-97.9000111.5Q102 A107 S108 E110 F111 V139 L140 H143Q102-F105 HydrophobicContact CB-CB 4.34Å; Q102-F105 WeakPolarHBondContact O-CB 3.3Å; Q102-F105 PolarHBondContact O-N 2.94Å; F105-A107 PolarHBondContact O-N 3.01Å; F105-S108 VanDerWaalsContact O-CB 3.22Å; F105-S108 WeakPolarHBondContact O-CB 3.33Å; F105-S108 PolarHBondContact O-N 2.91Å; F105-S108 PolarHBondContact O-OG 3.31Å; F105-E110 HydrophobicContact CE2-CG 4.39Å; F105-F111 HydrophobicContact CD1-CB 4.46Å; F105-F111 HydrophobicContact CD1-CD2 4.36Å; F105-F111 HydrophobicContact CD1-CG 4.4Å; F105-F111 HydrophobicContact CE1-CB 3.94Å; F105-F111 AromaticContact CE1-CD2 3.37Å; F105-F111 HydrophobicContact CE1-CD2 3.37Å; F105-F111 HydrophobicContact CE1-CE2 4.01Å; F105-F111 AromaticContact CE1-CG 3.76Å; F105-F111 HydrophobicContact CE1-CG 3.76Å; F105-F111 HydrophobicContact CE2-CB 4.32Å; F105-F111 HydrophobicContact CZ-CB 3.84Å; F105-F111 AromaticContact CZ-CD2 3.66Å; F105-F111 HydrophobicContact CZ-CD2 3.66Å; F105-F111 HydrophobicContact CZ-CG 4.06Å; F105-F111 WeakPolarHBondContact O-CB 3.31Å; F105-V139 HydrophobicContact CE1-CG1 3.92Å; F105-V139 HydrophobicContact CE2-CG1 4.26Å; F105-V139 HydrophobicContact CZ-CG1 3.35Å; F105-L140 HydrophobicContact CE1-CD2 4.24Å; F105-H143 HydrophobicContact CB-CB 4.01Å; F105-H143 HydrophobicContact CD1-CB 3.75Å; F105-H143 HydrophobicContact CD2-CB 4.03Å; F105-H143 AromaticContact CD2-CD2 3.79Å; F105-H143 AromaticContact CD2-CE1 3.68Å; F105-H143 AromaticContact CD2-CG 3.45Å; F105-H143 VanDerWaalsContact CD2-CG 3.45Å; F105-H143 AromaticContact CD2-ND1 3.37Å; F105-H143 WeakPolarHBondContact CD2-ND1 3.11Å; F105-H143 AromaticContact CD2-NE2 3.97Å; F105-H143 HydrophobicContact CE1-CB 4.28Å; F105-H143 AromaticContact CE2-CD2 3.57Å; F105-H143 AromaticContact CE2-CE1 3.83Å; F105-H143 AromaticContact CE2-CG 3.75Å; F105-H143 AromaticContact CE2-ND1 3.9Å; F105-H143 AromaticContact CE2-NE2 3.68Å; F105-H143 HydrophobicContact CG-CB 3.62Å; F105-H143 AromaticContact CG-CG 3.61Å; F105-H143 AromaticContact CG-ND1 3.83Å; F105-H143 AromaticContact CZ-CD2 3.87Å
106L93.7Very high93.1Very high36 Ų3657 Ų5719%0.18830%0.304CS..Hα-helixtrans-62.9-21.5177.3-66.1175.3000113.7N69 Q98 A101 Q102 S103 F111 L140N69-L106 WeakPolarHBondContact CB-O 3.38Å; N69-L106 PolarHBondContact ND2-O 3.32Å; Q98-L106 HydrophobicContact CG-CD1 4.37Å; Q98-L106 HydrophobicContact CG-CD2 3.85Å; A101-L106 HydrophobicContact CB-CD1 4.19Å; A101-L106 HydrophobicContact CB-CD2 3.94Å; A101-L106 HydrophobicContact CB-CG 4Å; Q102-L106 PolarHBondContact O-N 3.35Å; S103-L106 PolarHBondContact O-N 3.43Å; L106-F111 HydrophobicContact CD2-CD1 4.01Å; L106-F111 HydrophobicContact CD2-CE1 3.48Å; L106-F111 VanDerWaalsContact CD2-CE1 3.48Å; L106-F111 HydrophobicContact CD2-CZ 3.77Å; L106-L140 HydrophobicContact CD2-CD2 4.14Å
107A93Very high93.4Very high30 Ų3055.7 Ų55.725%0.24830%0.295CS..THydrogen-bonded Turntrans-96.34.7175.100000114.1Y65 K66 S103 V104 F105Y65-A107 PolarHBondContact N-O 3.05Å; K66-A107 HydrophobicContact CB-CB 4.04Å; K66-A107 HydrophobicContact CG-CB 4.46Å; S103-A107 PolarHBondContact O-N 3.06Å; S103-A107 VanDerWaalsContact O-N 3.15Å; V104-A107 PolarHBondContact O-N 3.05Å; F105-A107 PolarHBondContact O-N 3.01Å
108S94.7Very high93.7Very high27 Ų2755.1 Ų55.119%0.18929%0.292CS..SBendtrans-85.9158.1-172.474.50000114.3N69 V104 F105 E110 F111 C112N69-S108 PolarHBondContact ND2-O 3.23Å; V104-S108 PolarHBondContact O-N 3.43Å; F105-S108 VanDerWaalsContact O-CB 3.22Å; F105-S108 WeakPolarHBondContact O-CB 3.33Å; F105-S108 PolarHBondContact O-N 2.91Å; F105-S108 PolarHBondContact O-OG 3.31Å; S108-E110 VanDerWaalsContact C-N 3.28Å; S108-E110 PolarHBondContact OG-N 3Å; S108-F111 PolarHBondContact OG-N 2.83Å; S108-F111 VanDerWaalsContact OG-N 3.07Å; S108-C112 PolarHBondContact O-N 3.13Å
109A94.2Very high93.9Very high38 Ų3853.7 Ų53.731%0.31429%0.286SS..Hα-helixtrans-66.4-30.116800000112.4Y65 C112 N113Y65-A109 HydrophobicContact CD2-CB 3.82Å; Y65-A109 HydrophobicContact CE1-CB 4.5Å; Y65-A109 HydrophobicContact CE2-CB 3.54Å; Y65-A109 HydrophobicContact CG-CB 4.44Å; A109-C112 WeakPolarHBondContact O-CB 3.28Å; A109-C112 PolarHBondContact O-N 3.23Å; A109-N113 VanDerWaalsContact O-CG 3.24Å; A109-N113 PolarHBondContact O-N 3.03Å; A109-N113 PolarHBondContact O-ND2 3.14Å
110E94.2Very high94.2Very high97 Ų9749.4 Ų49.445%0.45328%0.277SS..Hα-helixtrans-60.6-49.4177.7-169.6-162.8155.900110.8F105 S108 C112 N113 I114 H143F105-E110 HydrophobicContact CE2-CG 4.39Å; S108-E110 VanDerWaalsContact C-N 3.28Å; S108-E110 PolarHBondContact OG-N 3Å; E110-C112 VanDerWaalsContact C-N 3.33Å; E110-C112 PolarHBondContact O-N 3.17Å; E110-N113 PolarHBondContact O-N 3.39Å; E110-I114 HydrophobicContact CG-CD1 4.03Å; E110-I114 VanDerWaalsContact O-CG1 3.31Å; E110-I114 WeakPolarHBondContact O-CG1 3.45Å; E110-I114 PolarHBondContact O-N 3.47Å; E110-H143 IonicContact OE1-NE2 2.83Å
111F96.4Very high94.5Very high1 Ų148.1 Ų48.10%0.00427%0.272CS..Hα-helixtrans-64.3-36.7177.2-170.7-130000112N69 F73 F105 L106 S108 I114 L115 L136 L140N69-F111 HydrophobicContact CB-CD1 3.8Å; N69-F111 HydrophobicContact CB-CE1 4.16Å; F73-F111 HydrophobicContact CD2-CZ 4.21Å; F105-F111 HydrophobicContact CD1-CB 4.46Å; F105-F111 HydrophobicContact CD1-CD2 4.36Å; F105-F111 HydrophobicContact CD1-CG 4.4Å; F105-F111 HydrophobicContact CE1-CB 3.94Å; F105-F111 AromaticContact CE1-CD2 3.37Å; F105-F111 HydrophobicContact CE1-CD2 3.37Å; F105-F111 HydrophobicContact CE1-CE2 4.01Å; F105-F111 AromaticContact CE1-CG 3.76Å; F105-F111 HydrophobicContact CE1-CG 3.76Å; F105-F111 HydrophobicContact CE2-CB 4.32Å; F105-F111 HydrophobicContact CZ-CB 3.84Å; F105-F111 AromaticContact CZ-CD2 3.66Å; F105-F111 HydrophobicContact CZ-CD2 3.66Å; F105-F111 HydrophobicContact CZ-CG 4.06Å; F105-F111 WeakPolarHBondContact O-CB 3.31Å; L106-F111 HydrophobicContact CD2-CD1 4.01Å; L106-F111 HydrophobicContact CD2-CE1 3.48Å; L106-F111 VanDerWaalsContact CD2-CE1 3.48Å; L106-F111 HydrophobicContact CD2-CZ 3.77Å; S108-F111 PolarHBondContact OG-N 2.83Å; S108-F111 VanDerWaalsContact OG-N 3.07Å; F111-I114 PolarHBondContact O-N 2.69Å; F111-L115 HydrophobicContact CD1-CD1 3.91Å; F111-L115 HydrophobicContact CD2-CD1 4.38Å; F111-L115 HydrophobicContact CD2-CG 4.18Å; F111-L115 HydrophobicContact CE1-CD1 3.61Å; F111-L115 HydrophobicContact CE1-CG 4.34Å; F111-L115 HydrophobicContact CE2-CD1 4.12Å; F111-L115 HydrophobicContact CE2-CD2 4Å; F111-L115 HydrophobicContact CE2-CG 3.94Å; F111-L115 HydrophobicContact CG-CD1 4.29Å; F111-L115 HydrophobicContact CG-CG 4.49Å; F111-L115 HydrophobicContact CZ-CD1 3.72Å; F111-L115 HydrophobicContact CZ-CD2 4.02Å; F111-L115 HydrophobicContact CZ-CG 4.02Å; F111-L115 WeakPolarHBondContact O-CB 3.44Å; F111-L115 VanDerWaalsContact O-CG 3.3Å; F111-L115 WeakPolarHBondContact O-CG 3.37Å; F111-L115 PolarHBondContact O-N 2.96Å; F111-L136 HydrophobicContact CE2-CD1 3.94Å; F111-L140 HydrophobicContact CE2-CD2 3.71Å; F111-L140 HydrophobicContact CE2-CG 4.41Å; F111-L140 HydrophobicContact CZ-CD2 3.97Å
112C94.8Very high94.5Very high14 Ų1447.9 Ų47.910%0.09527%0.27CS..Hα-helixtrans-57.8-49.1172.3-169.30000112.1Y65 N69 S108 A109 E110 L115 S116Y65-C112 HydrophobicContact CD1-CB 3.82Å; Y65-C112 HydrophobicContact CE1-CB 4.48Å; Y65-C112 HydrophobicContact CG-CB 4.3Å; N69-C112 WeakPolarHBondContact OD1-CA 3.28Å; N69-C112 WeakPolarHBondContact OD1-CB 3.31Å; N69-C112 PolarHBondContact OD1-N 3.1Å; S108-C112 PolarHBondContact O-N 3.13Å; A109-C112 WeakPolarHBondContact O-CB 3.28Å; A109-C112 PolarHBondContact O-N 3.23Å; E110-C112 VanDerWaalsContact C-N 3.33Å; E110-C112 PolarHBondContact O-N 3.17Å; C112-L115 PolarHBondContact O-N 3.15Å; C112-S116 VanDerWaalsContact O-CB 3.29Å; C112-S116 WeakPolarHBondContact O-CB 3.27Å; C112-S116 PolarHBondContact O-N 3.37Å; C112-S116 PolarHBondContact O-OG 2.8Å
113N96Very high94.5Very high106 Ų10650.6 Ų50.657%0.56728%0.276SS*.Hα-helixtrans-64.9-40.4-180-69.2-19.4000111.6A109 E110 R117A109-N113 VanDerWaalsContact O-CG 3.24Å; A109-N113 PolarHBondContact O-N 3.03Å; A109-N113 PolarHBondContact O-ND2 3.14Å; E110-N113 PolarHBondContact O-N 3.39Å; N113-R117 WeakPolarHBondContact O-CB 3.19Å; N113-R117 PolarHBondContact O-N 2.81Å
114I96.1Very high94.7Very high13 Ų1354.3 Ų54.37%0.06728%0.281CS..Hα-helixtrans-65.4-48.7177.1-69167.6000110.8E110 F111 R117 V118 L136 V139E110-I114 HydrophobicContact CG-CD1 4.03Å; E110-I114 VanDerWaalsContact O-CG1 3.31Å; E110-I114 WeakPolarHBondContact O-CG1 3.45Å; E110-I114 PolarHBondContact O-N 3.47Å; F111-I114 PolarHBondContact O-N 2.69Å; I114-R117 PolarHBondContact O-N 3.35Å; I114-V118 HydrophobicContact CG2-CG2 4.41Å; I114-V118 VanDerWaalsContact O-CB 3.3Å; I114-V118 WeakPolarHBondContact O-CB 3.35Å; I114-V118 VanDerWaalsContact O-CG2 3.32Å; I114-V118 WeakPolarHBondContact O-CG2 3.39Å; I114-V118 PolarHBondContact O-N 2.91Å; I114-L136 HydrophobicContact CG2-CD1 4.35Å; I114-V139 HydrophobicContact CD1-CG1 3.87Å; I114-V139 HydrophobicContact CD1-CG2 4.15Å; I114-V139 HydrophobicContact CG2-CG2 4.33Å
115L96.3Very high94.8Very high0 Ų056.2 Ų56.20%028%0.275CS..Hα-helixtrans-61-46.8177.5-70.8173.9000111.8N69 L72 F73 F111 C112 R117 V118 L119 L136N69-L115 HydrophobicContact CB-CD1 4.3Å; N69-L115 WeakPolarHBondContact O-CD1 3.13Å; L72-L115 HydrophobicContact CB-CB 3.98Å; L72-L115 HydrophobicContact CB-CD1 3.94Å; L72-L115 HydrophobicContact CD1-CB 4.49Å; F73-L115 HydrophobicContact CB-CD1 4.15Å; F73-L115 HydrophobicContact CB-CD2 4.41Å; F73-L115 HydrophobicContact CD2-CD2 3.96Å; F111-L115 HydrophobicContact CD1-CD1 3.91Å; F111-L115 HydrophobicContact CD2-CD1 4.38Å; F111-L115 HydrophobicContact CD2-CG 4.18Å; F111-L115 HydrophobicContact CE1-CD1 3.61Å; F111-L115 HydrophobicContact CE1-CG 4.34Å; F111-L115 HydrophobicContact CE2-CD1 4.12Å; F111-L115 HydrophobicContact CE2-CD2 4Å; F111-L115 HydrophobicContact CE2-CG 3.94Å; F111-L115 HydrophobicContact CG-CD1 4.29Å; F111-L115 HydrophobicContact CG-CG 4.49Å; F111-L115 HydrophobicContact CZ-CD1 3.72Å; F111-L115 HydrophobicContact CZ-CD2 4.02Å; F111-L115 HydrophobicContact CZ-CG 4.02Å; F111-L115 WeakPolarHBondContact O-CB 3.44Å; F111-L115 VanDerWaalsContact O-CG 3.3Å; F111-L115 WeakPolarHBondContact O-CG 3.37Å; F111-L115 PolarHBondContact O-N 2.96Å; C112-L115 PolarHBondContact O-N 3.15Å; L115-R117 VanDerWaalsContact C-N 3.33Å; L115-R117 PolarHBondContact O-N 2.93Å; L115-V118 PolarHBondContact O-N 3.4Å; L115-L119 WeakPolarHBondContact O-CB 3.46Å; L115-L119 PolarHBondContact O-N 3.23Å; L115-L136 HydrophobicContact CD2-CD1 3.76Å; L115-L136 HydrophobicContact CD2-CD2 4.06Å
116S95.3Very high94.7Very high50 Ų5058.4 Ų58.435%0.3529%0.29SS..Hα-helixtrans-59.3-43.4177.7-59.20000111.9C112 A120C112-S116 VanDerWaalsContact O-CB 3.29Å; C112-S116 WeakPolarHBondContact O-CB 3.27Å; C112-S116 PolarHBondContact O-N 3.37Å; C112-S116 PolarHBondContact O-OG 2.8Å; S116-A120 WeakPolarHBondContact O-CB 3.45Å; S116-A120 PolarHBondContact O-N 2.88Å
117R96.4Very high94.5Very high109 Ų10961.8 Ų61.841%0.41132%0.323SS..Hα-helixtrans-64.5-44.8176.1-178.1176.278.3-150.52.8112N113 I114 L115 R121 E135N113-R117 WeakPolarHBondContact O-CB 3.19Å; N113-R117 PolarHBondContact O-N 2.81Å; I114-R117 PolarHBondContact O-N 3.35Å; L115-R117 VanDerWaalsContact C-N 3.33Å; L115-R117 PolarHBondContact O-N 2.93Å; R117-R121 WeakPolarHBondContact O-CB 3.49Å; R117-R121 WeakPolarHBondContact O-CD 3.14Å; R117-R121 WeakPolarHBondContact O-CG 3.49Å; R117-R121 PolarHBondContact O-N 3.14Å; R117-E135 IonicContact CZ-OE1 2.8Å; R117-E135 VanDerWaalsContact CZ-OE1 3.27Å; R117-E135 IonicContact NE-OE1 3.76Å; R117-E135 PolarHBondContact NE-OE1 2.82Å; R117-E135 IonicContact NH2-OE1 3.86Å; R117-E135 PolarHBondContact NH2-OE1 2.92Å
118V95.6Very high94.6Very high0 Ų066.1 Ų66.10%034%0.336CS..Hα-helixtrans-64.2-47.4179.4159.20000110.7F76 I114 L115 R121 S122 E135F76-V118 HydrophobicContact CD1-CG1 4.42Å; F76-V118 HydrophobicContact CD2-CG1 3.61Å; F76-V118 HydrophobicContact CE1-CG1 4.12Å; F76-V118 HydrophobicContact CE2-CG1 3.24Å; F76-V118 HydrophobicContact CG-CG1 4.19Å; F76-V118 HydrophobicContact CZ-CG1 3.52Å; I114-V118 HydrophobicContact CG2-CG2 4.41Å; I114-V118 VanDerWaalsContact O-CB 3.3Å; I114-V118 WeakPolarHBondContact O-CB 3.35Å; I114-V118 VanDerWaalsContact O-CG2 3.32Å; I114-V118 WeakPolarHBondContact O-CG2 3.39Å; I114-V118 PolarHBondContact O-N 2.91Å; L115-V118 PolarHBondContact O-N 3.4Å; V118-R121 PolarHBondContact O-N 2.93Å; V118-S122 WeakPolarHBondContact O-CB 3.4Å; V118-S122 PolarHBondContact O-N 3.2Å; V118-S122 PolarHBondContact O-OG 3.04Å; V118-E135 HydrophobicContact CG2-CG 4.29Å
119L95.1Very high94.5Very high5 Ų565 Ų653%0.02633%0.328CS..Hα-helixtrans-59-46.2174.7-88.3166.8000113.6L72 E75 F76 L115 R121 S122 R123L72-L119 HydrophobicContact CB-CD1 4.18Å; L72-L119 HydrophobicContact CD2-CD1 3.65Å; L72-L119 WeakPolarHBondContact O-CD1 3.2Å; E75-L119 HydrophobicContact CB-CD1 4.35Å; E75-L119 HydrophobicContact CB-CD2 4.48Å; E75-L119 HydrophobicContact CG-CD1 4.32Å; E75-L119 HydrophobicContact CG-CD2 4.07Å; F76-L119 HydrophobicContact CB-CD2 3.96Å; F76-L119 HydrophobicContact CB-CG 4.07Å; F76-L119 HydrophobicContact CD2-CD2 4.18Å; F76-L119 HydrophobicContact CD2-CG 4.31Å; L115-L119 WeakPolarHBondContact O-CB 3.46Å; L115-L119 PolarHBondContact O-N 3.23Å; L119-R121 VanDerWaalsContact C-N 3.31Å; L119-R121 PolarHBondContact O-N 2.81Å; L119-S122 WeakPolarHBondContact CA-OG 3.43Å; L119-S122 PolarHBondContact O-OG 3.4Å; L119-S122 VanDerWaalsContact O-OG 3.05Å; L119-R123 WeakPolarHBondContact O-CB 3.28Å; L119-R123 WeakPolarHBondContact O-CG 3.47Å; L119-R123 PolarHBondContact O-N 3.46Å; L119-R123 VanDerWaalsContact O-N 3.1Å
120A94.9Very high94.5Very high64 Ų6468 Ų6853%0.52933%0.332SS..Hα-helixtrans-65.8-36.4179.500000111.8S116 K124S116-A120 WeakPolarHBondContact O-CB 3.45Å; S116-A120 PolarHBondContact O-N 2.88Å; A120-K124 WeakPolarHBondContact O-CB 3.49Å; A120-K124 PolarHBondContact O-N 3.1Å
121R96.1Very high94.5Very high107 Ų10767.5 Ų67.540%0.40434%0.336SS..Hα-helixtrans-71.6-46.5177.5-75.7171.8173.5-176.6-3.6112.5R117 V118 L119 K124 R125 Y132 E135R117-R121 WeakPolarHBondContact O-CB 3.49Å; R117-R121 WeakPolarHBondContact O-CD 3.14Å; R117-R121 WeakPolarHBondContact O-CG 3.49Å; R117-R121 PolarHBondContact O-N 3.14Å; V118-R121 PolarHBondContact O-N 2.93Å; L119-R121 VanDerWaalsContact C-N 3.31Å; L119-R121 PolarHBondContact O-N 2.81Å; R121-K124 PolarHBondContact O-N 3.24Å; R121-R125 PolarHBondContact O-N 2.91Å; R121-Y132 HydrophobicContact CB-CD1 4.06Å; R121-Y132 HydrophobicContact CB-CD2 4.4Å; R121-Y132 HydrophobicContact CB-CE1 3.74Å; R121-Y132 HydrophobicContact CB-CE2 4.08Å; R121-Y132 HydrophobicContact CB-CG 4.4Å; R121-Y132 HydrophobicContact CG-CE1 4.35Å; R121-E135 IonicContact NH1-OE1 2.67Å; R121-E135 PolarHBondContact NH1-OE1 2.88Å; R121-E135 IonicContact NH1-OE2 3.71Å; R121-E135 PolarHBondContact NH1-OE2 3.17Å
122S93.4Very high94.4Very high1 Ų168.5 Ų68.51%0.00734%0.339CS..Hα-helixtrans-63.1-44.9179.154.70000111.7L79 V118 L119 K124 R125 P126L79-S122 WeakPolarHBondContact CD2-OG 3.08Å; V118-S122 WeakPolarHBondContact O-CB 3.4Å; V118-S122 PolarHBondContact O-N 3.2Å; V118-S122 PolarHBondContact O-OG 3.04Å; L119-S122 WeakPolarHBondContact CA-OG 3.43Å; L119-S122 PolarHBondContact O-OG 3.4Å; L119-S122 VanDerWaalsContact O-OG 3.05Å; S122-K124 VanDerWaalsContact C-N 3.32Å; S122-K124 PolarHBondContact O-N 3.07Å; S122-R125 CarbonylContact O-C 3.26Å; S122-R125 VanDerWaalsContact O-C 3.26Å; S122-R125 PolarHBondContact O-N 3.34Å; S122-P126 WeakPolarHBondContact O-CA 3.39Å; S122-P126 VanDerWaalsContact O-N 3.1Å
123R93.1Very high94.4Very high145 Ų14568.5 Ų68.555%0.54734%0.338SS..Hα-helixtrans-59.2-37.7173.9-75.8178167145.72113.5E75 L79 L119E75-R123 IonicContact OE1-CZ 3.52Å; E75-R123 IonicContact OE1-NH1 2.66Å; E75-R123 PolarHBondContact OE1-NH1 3.15Å; E75-R123 IonicContact OE1-NH2 2.82Å; E75-R123 PolarHBondContact OE1-NH2 3.48Å; L79-R123 HydrophobicContact CD2-CG 4.2Å; L119-R123 WeakPolarHBondContact O-CB 3.28Å; L119-R123 WeakPolarHBondContact O-CG 3.47Å; L119-R123 PolarHBondContact O-N 3.46Å; L119-R123 VanDerWaalsContact O-N 3.1Å
124K93.9Very high94.2Very high171 Ų17167.7 Ų67.774%0.74333%0.334SS*.Hα-helixtrans-79.7-22.9179.2-170.1165.3-176.8170.50113.3A120 R121 S122A120-K124 WeakPolarHBondContact O-CB 3.49Å; A120-K124 PolarHBondContact O-N 3.1Å; R121-K124 PolarHBondContact O-N 3.24Å; S122-K124 VanDerWaalsContact C-N 3.32Å; S122-K124 PolarHBondContact O-N 3.07Å
125R93.6Very high94.1Very high158 Ų15869 Ų6960%0.59634%0.34SS*.  trans-145.969.2-174.9-67.6-174170.8136.9-4.8111.8R121 S122 A127 K128 Y132R121-R125 PolarHBondContact O-N 2.91Å; S122-R125 CarbonylContact O-C 3.26Å; S122-R125 VanDerWaalsContact O-C 3.26Å; S122-R125 PolarHBondContact O-N 3.34Å; R125-A127 PolarHBondContact O-N 2.92Å; R125-K128 PolarHBondContact O-N 3.1Å; R125-Y132 HydrophobicContact CB-CE2 4.42Å
126P90.9Very high94.1Very high55 Ų5569 Ų6936%0.35734%0.34SS..G310 helixtrans-54-37.9-178.616-29.8000113.6E83 S122 K128 I129E83-P126 WeakPolarHBondContact OE2-CB 3.05Å; S122-P126 WeakPolarHBondContact O-CA 3.39Å; S122-P126 VanDerWaalsContact O-N 3.1Å; P126-K128 PolarHBondContact O-N 3.16Å; P126-I129 VanDerWaalsContact O-CB 3.3Å; P126-I129 WeakPolarHBondContact O-CB 3.24Å; P126-I129 PolarHBondContact O-N 3.49Å
127A91.3Very high93.9Very high106 Ų10666.9 Ų66.988%0.87633%0.325SS*.G310 helixtrans-59.2-3.6175.800000115.9R125R125-A127 PolarHBondContact O-N 2.92Å
128K93.8Very high93.8Very high121 Ų12165.3 Ų65.353%0.52633%0.328SS..G310 helixtrans-117.218.7170.6-64.5-162.9175.9-167.80113.6R125 P126 Y130 V131 Y132R125-K128 PolarHBondContact O-N 3.1Å; P126-K128 PolarHBondContact O-N 3.16Å; K128-Y130 VanDerWaalsContact C-N 3.3Å; K128-Y130 PolarHBondContact O-N 3.24Å; K128-V131 HydrophobicContact CB-CB 4.42Å; K128-V131 HydrophobicContact CB-CG2 4.21Å; K128-V131 WeakPolarHBondContact O-CA 3.35Å; K128-V131 VanDerWaalsContact O-CB 3.31Å; K128-V131 WeakPolarHBondContact O-CB 2.99Å; K128-V131 PolarHBondContact O-N 2.86Å; K128-Y132 HydrophobicContact CB-CD2 4.46Å; K128-Y132 HydrophobicContact CB-CE2 3.73Å; K128-Y132 VanDerWaalsContact O-CD2 3.29Å; K128-Y132 WeakPolarHBondContact O-CD2 3.16Å; K128-Y132 PolarHBondContact O-N 2.72Å
129I93.6Very high93.7Very high4 Ų466.6 Ų66.62%0.02134%0.335CS..Hα-helixtrans-49.8-45.5-178.2-169.468.2000112.9F76 L79 E83 T84 P126 V131 Y132 I133F76-I129 HydrophobicContact CE2-CD1 4.24Å; F76-I129 HydrophobicContact CZ-CD1 4.48Å; L79-I129 HydrophobicContact CD2-CD1 4.4Å; L79-I129 HydrophobicContact CG-CD1 4.49Å; E83-I129 HydrophobicContact CB-CB 4.26Å; E83-I129 HydrophobicContact CB-CD1 4.36Å; E83-I129 HydrophobicContact CB-CG1 3.89Å; E83-I129 HydrophobicContact CB-CG2 4.2Å; T84-I129 HydrophobicContact CG2-CG1 4.2Å; T84-I129 HydrophobicContact CG2-CG2 3.98Å; P126-I129 VanDerWaalsContact O-CB 3.3Å; P126-I129 WeakPolarHBondContact O-CB 3.24Å; P126-I129 PolarHBondContact O-N 3.49Å; I129-V131 VanDerWaalsContact C-N 3.26Å; I129-V131 PolarHBondContact O-N 3.04Å; I129-Y132 PolarHBondContact O-N 3.09Å; I129-I133 HydrophobicContact CG1-CD1 3.78Å; I129-I133 HydrophobicContact CG1-CG1 4.32Å; I129-I133 WeakPolarHBondContact O-CG1 3.31Å; I129-I133 PolarHBondContact O-N 3.22Å
130Y93.6Very high93.6Very high102 Ų10266.3 Ų66.340%0.433%0.334SS..Hα-helixtrans-62.3-28.6178.2-64.4-75.3000113.8T84 H87 V90 K128 I133 N134T84-Y130 WeakPolarHBondContact CB-OH 3.29Å; T84-Y130 HydrophobicContact CG2-CD1 4.23Å; T84-Y130 HydrophobicContact CG2-CE1 3.53Å; T84-Y130 HydrophobicContact CG2-CE2 4.28Å; H87-Y130 HydrophobicContact CB-CE1 4.49Å; V90-Y130 HydrophobicContact CG2-CE1 4.47Å; K128-Y130 VanDerWaalsContact C-N 3.3Å; K128-Y130 PolarHBondContact O-N 3.24Å; Y130-I133 HydrophobicContact CD1-CD1 4.2Å; Y130-N134 WeakPolarHBondContact O-CB 3.48Å; Y130-N134 PolarHBondContact O-N 2.83Å
131V94.4Very high93.4Very high86 Ų8667.8 Ų67.852%0.52133%0.328SS..Hα-helixtrans-70.1-41.6173.5-172.80000110.2K128 I129 N134 E135K128-V131 HydrophobicContact CB-CB 4.42Å; K128-V131 HydrophobicContact CB-CG2 4.21Å; K128-V131 WeakPolarHBondContact O-CA 3.35Å; K128-V131 VanDerWaalsContact O-CB 3.31Å; K128-V131 WeakPolarHBondContact O-CB 2.99Å; K128-V131 PolarHBondContact O-N 2.86Å; I129-V131 VanDerWaalsContact C-N 3.26Å; I129-V131 PolarHBondContact O-N 3.04Å; V131-N134 PolarHBondContact O-N 3.01Å; V131-E135 PolarHBondContact O-N 2.73Å
132Y94.6Very high93.2Very high22 Ų2265.8 Ų65.89%0.08634%0.335CS..Hα-helixtrans-74-34.8179.2-52.5-46.9000112.4R121 R125 K128 I129 N134 E135 L136R121-Y132 HydrophobicContact CB-CD1 4.06Å; R121-Y132 HydrophobicContact CB-CD2 4.4Å; R121-Y132 HydrophobicContact CB-CE1 3.74Å; R121-Y132 HydrophobicContact CB-CE2 4.08Å; R121-Y132 HydrophobicContact CB-CG 4.4Å; R121-Y132 HydrophobicContact CG-CE1 4.35Å; R125-Y132 HydrophobicContact CB-CE2 4.42Å; K128-Y132 HydrophobicContact CB-CD2 4.46Å; K128-Y132 HydrophobicContact CB-CE2 3.73Å; K128-Y132 VanDerWaalsContact O-CD2 3.29Å; K128-Y132 WeakPolarHBondContact O-CD2 3.16Å; K128-Y132 PolarHBondContact O-N 2.72Å; I129-Y132 PolarHBondContact O-N 3.09Å; Y132-N134 VanDerWaalsContact C-N 3.31Å; Y132-E135 WeakPolarHBondContact O-CB 3.32Å; Y132-E135 PolarHBondContact O-N 2.84Å; Y132-L136 PolarHBondContact O-N 3.32Å
133I93.5Very high93.1Very high13 Ų1368.3 Ų68.37%0.06735%0.346CS..Hα-helixtrans-58.4-44.4166.2-70160.1000109.9F76 T84 V90 L94 I129 Y130 L136 C137F76-I133 HydrophobicContact CE1-CG1 4.24Å; F76-I133 HydrophobicContact CZ-CG1 3.97Å; T84-I133 HydrophobicContact CG2-CD1 3.59Å; V90-I133 HydrophobicContact CG1-CD1 3.81Å; V90-I133 HydrophobicContact CG1-CG1 4.37Å; V90-I133 HydrophobicContact CG1-CG2 4.09Å; L94-I133 HydrophobicContact CD1-CG2 4.38Å; L94-I133 HydrophobicContact CD2-CG2 4.47Å; I129-I133 HydrophobicContact CG1-CD1 3.78Å; I129-I133 HydrophobicContact CG1-CG1 4.32Å; I129-I133 WeakPolarHBondContact O-CG1 3.31Å; I129-I133 PolarHBondContact O-N 3.22Å; Y130-I133 HydrophobicContact CD1-CD1 4.2Å; I133-L136 PolarHBondContact O-N 3.48Å; I133-C137 VanDerWaalsContact O-CB 3.3Å; I133-C137 WeakPolarHBondContact O-CB 3.36Å; I133-C137 PolarHBondContact O-N 2.67Å; I133-C137 PolarHBondContact O-SG 3.26Å
134N92.1Very high92.9Very high90 Ų9062.2 Ų62.248%0.48133%0.326SS..Hα-helixtrans-71.5-33.5178.7-169.154.1000113.4Y130 V131 Y132 C137 T138Y130-N134 WeakPolarHBondContact O-CB 3.48Å; Y130-N134 PolarHBondContact O-N 2.83Å; V131-N134 PolarHBondContact O-N 3.01Å; Y132-N134 VanDerWaalsContact C-N 3.31Å; N134-C137 PolarHBondContact O-N 3.24Å; N134-T138 WeakPolarHBondContact O-CB 3.45Å; N134-T138 PolarHBondContact O-N 2.89Å; N134-T138 PolarHBondContact O-OG1 2.86Å
135E95.4Very high92.2Very high41 Ų4158.9 Ų58.919%0.19232%0.315CS..Hα-helixtrans-54.9-55.1169.1-172.4179.8159.600109.2R117 V118 R121 V131 Y132 C137 T138 V139R117-E135 IonicContact CZ-OE1 2.8Å; R117-E135 VanDerWaalsContact CZ-OE1 3.27Å; R117-E135 IonicContact NE-OE1 3.76Å; R117-E135 PolarHBondContact NE-OE1 2.82Å; R117-E135 IonicContact NH2-OE1 3.86Å; R117-E135 PolarHBondContact NH2-OE1 2.92Å; V118-E135 HydrophobicContact CG2-CG 4.29Å; R121-E135 IonicContact NH1-OE1 2.67Å; R121-E135 PolarHBondContact NH1-OE1 2.88Å; R121-E135 IonicContact NH1-OE2 3.71Å; R121-E135 PolarHBondContact NH1-OE2 3.17Å; V131-E135 PolarHBondContact O-N 2.73Å; Y132-E135 WeakPolarHBondContact O-CB 3.32Å; Y132-E135 PolarHBondContact O-N 2.84Å; E135-C137 PolarHBondContact O-N 3.34Å; E135-T138 PolarHBondContact O-N 3.23Å; E135-V139 WeakPolarHBondContact O-CG2 3.36Å; E135-V139 PolarHBondContact O-N 3.36Å
136L94.6Very high91.2Very high0 Ų059.8 Ų59.80%032%0.323CS..Hα-helixtrans-64.9-39.2179.1-172.760.4000113.1F73 F76 L94 F111 I114 L115 Y132 I133 T138 V139 L140F73-L136 HydrophobicContact CD2-CD2 4.27Å; F73-L136 HydrophobicContact CE2-CD2 4.01Å; F76-L136 HydrophobicContact CD1-CD2 3.45Å; F76-L136 VanDerWaalsContact CD1-CD2 3.45Å; F76-L136 HydrophobicContact CE1-CD2 3.5Å; F76-L136 HydrophobicContact CG-CD2 4.43Å; L94-L136 HydrophobicContact CD2-CD2 4.36Å; F111-L136 HydrophobicContact CE2-CD1 3.94Å; I114-L136 HydrophobicContact CG2-CD1 4.35Å; L115-L136 HydrophobicContact CD2-CD1 3.76Å; L115-L136 HydrophobicContact CD2-CD2 4.06Å; Y132-L136 PolarHBondContact O-N 3.32Å; I133-L136 PolarHBondContact O-N 3.48Å; L136-T138 VanDerWaalsContact C-N 3.33Å; L136-T138 PolarHBondContact O-N 2.87Å; L136-V139 PolarHBondContact O-N 3.22Å; L136-L140 HydrophobicContact CD1-CD1 4.29Å; L136-L140 HydrophobicContact CD1-CG 4.37Å; L136-L140 HydrophobicContact CG-CD1 4.04Å; L136-L140 WeakPolarHBondContact O-CB 3.5Å; L136-L140 WeakPolarHBondContact O-CG 3.32Å; L136-L140 PolarHBondContact O-N 3.1Å
137C92.7Very high89.3Confident4 Ų465.7 Ų65.73%0.02734%0.344CS..Hα-helixtrans-64.4-36.4175.6-740000112.5L94 L97 I133 N134 E135 K141L94-C137 VanDerWaalsContact CD2-SG 3.51Å; L97-C137 HydrophobicContact CD2-CB 3.94Å; I133-C137 VanDerWaalsContact O-CB 3.3Å; I133-C137 WeakPolarHBondContact O-CB 3.36Å; I133-C137 PolarHBondContact O-N 2.67Å; I133-C137 PolarHBondContact O-SG 3.26Å; N134-C137 PolarHBondContact O-N 3.24Å; E135-C137 PolarHBondContact O-N 3.34Å; C137-K141 VanDerWaalsContact O-CB 3.32Å; C137-K141 WeakPolarHBondContact O-CB 3.3Å; C137-K141 VanDerWaalsContact O-CD 3.31Å; C137-K141 WeakPolarHBondContact O-CD 3.34Å; C137-K141 WeakPolarHBondContact O-CG 3.36Å; C137-K141 PolarHBondContact O-N 3.06Å
138T92.6Very high86.7Confident77 Ų7769.6 Ų69.647%0.47234%0.341SS..Hα-helixtrans-68.5-44.6-180-59.30000110.2N134 E135 L136 K141 A142N134-T138 WeakPolarHBondContact O-CB 3.45Å; N134-T138 PolarHBondContact O-N 2.89Å; N134-T138 PolarHBondContact O-OG1 2.86Å; E135-T138 PolarHBondContact O-N 3.23Å; L136-T138 VanDerWaalsContact C-N 3.33Å; L136-T138 PolarHBondContact O-N 2.87Å; T138-K141 PolarHBondContact O-N 3.24Å; T138-A142 PolarHBondContact O-N 3.43Å
139V93.8Very high84Confident26 Ų2670.8 Ų70.816%0.15835%0.352CS..Hα-helixtrans-58.5-54.7173172.10000111.3F105 I114 E135 L136 K141 A142 H143F105-V139 HydrophobicContact CE1-CG1 3.92Å; F105-V139 HydrophobicContact CE2-CG1 4.26Å; F105-V139 HydrophobicContact CZ-CG1 3.35Å; I114-V139 HydrophobicContact CD1-CG1 3.87Å; I114-V139 HydrophobicContact CD1-CG2 4.15Å; I114-V139 HydrophobicContact CG2-CG2 4.33Å; E135-V139 WeakPolarHBondContact O-CG2 3.36Å; E135-V139 PolarHBondContact O-N 3.36Å; L136-V139 PolarHBondContact O-N 3.22Å; V139-K141 VanDerWaalsContact C-N 3.26Å; V139-K141 PolarHBondContact O-N 2.99Å; V139-A142 WeakPolarHBondContact O-CB 3.42Å; V139-A142 PolarHBondContact O-N 2.81Å; V139-H143 PolarHBondContact O-CD2 3.2Å; V139-H143 PolarHBondContact O-N 2.9Å; V139-H143 VanDerWaalsContact O-N 3.1Å
140L92.9Very high81.2Confident0 Ų077.3 Ų77.30%039%0.387CS..Hα-helixtrans-64.7-27.2-178.7-67.5171.9000113.2F73 L97 Q98 A101 F105 L106 F111 L136 S144F73-L140 HydrophobicContact CE2-CD1 4.09Å; L97-L140 HydrophobicContact CD2-CB 3.87Å; L97-L140 HydrophobicContact CG-CB 3.71Å; Q98-L140 HydrophobicContact CB-CD1 4.4Å; A101-L140 HydrophobicContact CB-CD2 3.92Å; F105-L140 HydrophobicContact CE1-CD2 4.24Å; L106-L140 HydrophobicContact CD2-CD2 4.14Å; F111-L140 HydrophobicContact CE2-CD2 3.71Å; F111-L140 HydrophobicContact CE2-CG 4.41Å; F111-L140 HydrophobicContact CZ-CD2 3.97Å; L136-L140 HydrophobicContact CD1-CD1 4.29Å; L136-L140 HydrophobicContact CD1-CG 4.37Å; L136-L140 HydrophobicContact CG-CD1 4.04Å; L136-L140 WeakPolarHBondContact O-CB 3.5Å; L136-L140 WeakPolarHBondContact O-CG 3.32Å; L136-L140 PolarHBondContact O-N 3.1Å; L140-S144 WeakPolarHBondContact O-CB 3.25Å; L140-S144 PolarHBondContact O-N 2.94Å
141K92.3Very high78.3Confident94 Ų9480.3 Ų80.341%0.40941%0.409SS..Hα-helixtrans-68.9-44169.4-74.9164-167.1169.60111.8L97 C137 T138 V139 S144L97-K141 HydrophobicContact CD1-CG 3.79Å; L97-K141 HydrophobicContact CD2-CG 4.1Å; C137-K141 VanDerWaalsContact O-CB 3.32Å; C137-K141 WeakPolarHBondContact O-CB 3.3Å; C137-K141 VanDerWaalsContact O-CD 3.31Å; C137-K141 WeakPolarHBondContact O-CD 3.34Å; C137-K141 WeakPolarHBondContact O-CG 3.36Å; C137-K141 PolarHBondContact O-N 3.06Å; T138-K141 PolarHBondContact O-N 3.24Å; V139-K141 VanDerWaalsContact C-N 3.26Å; V139-K141 PolarHBondContact O-N 2.99Å; K141-S144 VanDerWaalsContact O-CB 3.31Å; K141-S144 WeakPolarHBondContact O-CB 3.35Å; K141-S144 PolarHBondContact O-N 3.22Å; K141-S144 PolarHBondContact O-OG 2.94Å
142A91.4Very high75.2Confident66 Ų6680.6 Ų80.655%0.54542%0.42SS..Hα-helixtrans-60.7-47.8-179.100000111.6T138 V139 S144T138-A142 PolarHBondContact O-N 3.43Å; V139-A142 WeakPolarHBondContact O-CB 3.42Å; V139-A142 PolarHBondContact O-N 2.81Å; A142-S144 PolarHBondContact O-N 3.07Å
143H90.3Very high72.4Confident54 Ų5485.9 Ų85.925%0.2546%0.457CS..THydrogen-bonded Turntrans-86.122.5178.6-59.3-91.4000113.5A101 Q102 F105 E110 V139A101-H143 CarbonylContact C-O 3.58Å; A101-H143 WeakPolarHBondContact CA-O 3.4Å; Q102-H143 WeakPolarHBondContact CG-O 3.31Å; Q102-H143 PolarHBondContact N-O 3.25Å; F105-H143 HydrophobicContact CB-CB 4.01Å; F105-H143 HydrophobicContact CD1-CB 3.75Å; F105-H143 HydrophobicContact CD2-CB 4.03Å; F105-H143 AromaticContact CD2-CD2 3.79Å; F105-H143 AromaticContact CD2-CE1 3.68Å; F105-H143 AromaticContact CD2-CG 3.45Å; F105-H143 VanDerWaalsContact CD2-CG 3.45Å; F105-H143 AromaticContact CD2-ND1 3.37Å; F105-H143 WeakPolarHBondContact CD2-ND1 3.11Å; F105-H143 AromaticContact CD2-NE2 3.97Å; F105-H143 HydrophobicContact CE1-CB 4.28Å; F105-H143 AromaticContact CE2-CD2 3.57Å; F105-H143 AromaticContact CE2-CE1 3.83Å; F105-H143 AromaticContact CE2-CG 3.75Å; F105-H143 AromaticContact CE2-ND1 3.9Å; F105-H143 AromaticContact CE2-NE2 3.68Å; F105-H143 HydrophobicContact CG-CB 3.62Å; F105-H143 AromaticContact CG-CG 3.61Å; F105-H143 AromaticContact CG-ND1 3.83Å; F105-H143 AromaticContact CZ-CD2 3.87Å; E110-H143 IonicContact OE1-NE2 2.83Å; V139-H143 PolarHBondContact O-CD2 3.2Å; V139-H143 PolarHBondContact O-N 2.9Å; V139-H143 VanDerWaalsContact O-N 3.1Å
144S89.7Confident69.3Low16 Ų1690.2 Ų90.211%0.11250%0.495CS..BIsolated β-bridgetrans-82.5146.9-179.769.70000114.2R100 L140 K141 A142 K146R100-S144 CarbonylContact O-C 3.5Å; R100-S144 VanDerWaalsContact O-CA 3.25Å; R100-S144 WeakPolarHBondContact O-CA 3.34Å; L140-S144 WeakPolarHBondContact O-CB 3.25Å; L140-S144 PolarHBondContact O-N 2.94Å; K141-S144 VanDerWaalsContact O-CB 3.31Å; K141-S144 WeakPolarHBondContact O-CB 3.35Å; K141-S144 PolarHBondContact O-N 3.22Å; K141-S144 PolarHBondContact O-OG 2.94Å; A142-S144 PolarHBondContact O-N 3.07Å; S144-K146 PolarHBondContact O-N 3.08Å; S144-K146 VanDerWaalsContact O-N 3.11Å
145I78.9Confident66.3Low102 Ų10290.3 Ų90.352%0.52351%0.508SS..  trans-73.899.8172.8-56.5174.4000107.9R100 Q102 K147R100-I145 PolarHBondContact O-N 3.46Å; Q102-I145 HydrophobicContact CG-CG1 3.8Å; I145-K147 VanDerWaalsContact C-N 3.27Å; I145-K147 PolarHBondContact O-N 3.24Å
146K73.6Confident63.1Low177 Ų17793.9 Ų93.977%0.7754%0.538SS*.  trans-7175.6-178-66.1179.9-177.2174.80111.8S144 K148S144-K146 PolarHBondContact O-N 3.08Å; S144-K146 VanDerWaalsContact O-N 3.11Å; K146-K148 PolarHBondContact O-N 2.98Å
147K49.6Very low60Low179 Ų179100.9 Ų100.978%0.77858%0.581SS**  trans-64.8104.5173.9-163171.8-172.3176.50109.6I145 L149I145-K147 VanDerWaalsContact C-N 3.27Å; I145-K147 PolarHBondContact O-N 3.24Å; K147-L149 PolarHBondContact O-N 2.89Å
148K37.1Very low56.9Low188 Ų188107.3 Ų107.382%0.81762%0.62SS**  trans-67.1111.7-177.5-161.1-178.8-175.7-171.50109.6K146K146-K148 PolarHBondContact O-N 2.98Å
149L38.2Very low53.9Low146 Ų146109.2 Ų109.276%0.76464%0.637SS**  trans-100.4116.5173-73.8172.1000108.8K147K147-L149 PolarHBondContact O-N 2.89Å
150N34.3Very low50.7Low140 Ų140116.7 Ų116.775%0.74967%0.67SS**  trans-81.5131.5166-67.3-13.5000108.2
151L32.2Very low47.8Very low166 Ų166121.1 Ų121.187%0.86971%0.706SS**  trans-128120.6167.6-79.1165.8000107.5
152A29.8Very low44.8Very low91 Ų91122.5 Ų122.575%0.75273%0.728SS**  trans-83.5151.7174.500000110.2
153P35.4Very low41.9Very low133 Ų133122.5 Ų122.586%0.86473%0.734SS**  trans-70.7136.517529.8-33.9000111
154A28.1Very low39.6Very low104 Ų104126.1 Ų126.186%0.8676%0.762SS**  trans-121.1150.1168.200000109.1
155A29.7Very low37Very low92 Ų92132.7 Ų132.776%0.7680%0.796SS**  trans-97.3169.3-163.300000114.9
156S28.7Very low36.1Very low117 Ų117133.4 Ų133.482%0.81881%0.807SS**  trans76.3107.5151.7-53.70000120.1
157T29.6Very low35.2Very low147 Ų147130.1 Ų130.190%0.90280%0.804SS**  -145.6149.9128.440.90000110.3
158T27.3Very low34.3Very low139 Ų139127.9 Ų127.985%0.85381%0.806SS**  trans-111.2178.9-169.129.10000114
159S28.6Very low34.1Very low117 Ų117127.2 Ų127.282%0.81881%0.806SS**  trans105.5125.7175.9-44.70000111.9
160E27.9Very low34.6Very low183 Ų183125.3 Ų125.386%0.85580%0.802SS**  cis-126.5-168.45.3-93.2-135.563.100110
161A30.3Very low35.3Very low92 Ų92123.7 Ų123.776%0.7680%0.799SS**  cis-151.5-143.718.600000113
162S29.8Very low35.3Very low124 Ų124121 Ų12187%0.86779%0.794SS**  trans-122.2143.7-170.4179.90000114.1
163G30.2Very low35.2Very low65 Ų65123.5 Ų123.567%0.6780%0.795SS**  trans171.9126.9170.800000113
164P43.3Very low35.1Very low131 Ų131123.3 Ų123.385%0.85179%0.786SS**  trans-95.8163.3-170.136-35.9000117
165N34.3Very low35.3Very low154 Ų154123.4 Ų123.482%0.82478%0.776SS**  trans-82.4-167.9-176.7-58.4-41.2000113.8
166P60.7Low35.4Very low116 Ų116125.9 Ų125.975%0.75378%0.776SS**  -127.1-137.4-67.641.5-23.4000108.6
167P54.5Low35.7Very low108 Ų108126.5 Ų126.570%0.70178%0.776SS**  cis-128.3178.2-29.838.4-21.9000114.3
168T31.1Very low36Very low132 Ų132128.6 Ų128.681%0.8178%0.775SS**  162.2123.9122.1-61.80000113.2
169E32.2Very low36.4Very low175 Ų175126.7 Ų126.782%0.81877%0.767SS**  trans-47.5-178.2168.1-76.3176.7-169.300119.1
170P49Very low37.1Very low106 Ų106127.5 Ų127.569%0.68877%0.767SS**  cis-141-137.6-40.542.7-23.1000110
171P48.1Very low37.5Very low106 Ų106122.2 Ų122.269%0.68876%0.755SS**  cis-123.9-166.2-41.137.4-19.8000113.5
172S32.8Very low38Very low110 Ų110122.7 Ų122.777%0.76975%0.753SS**  trans80.2140.9149.8-68.90000120.3
173D27.4Very low38.5Very low142 Ų142126.6 Ų126.676%0.75976%0.757SS**  cis-165.9177.5-15-163.86.6000110.8
174L34.5Very low39Very low130 Ų130127 Ų12768%0.68176%0.755SS**  trans90.585.5158.5-56.6-176.7000122
175T32.1Very low39.3Very low106 Ų106125.6 Ų125.665%0.6575%0.748SS**  65.6137.9119.757.20000124.7
176N31.3Very low40.2Very low144 Ų144127.8 Ų127.877%0.7775%0.745SS**  trans68.5118.2151.4-55.3-15.9000117.1
177T34.9Very low40.2Very low130 Ų130128.8 Ų128.880%0.79875%0.749SS**  cis-166.111347.735.20000112.5S179T177-S179 PolarHBondContact O-N 3.43Å
178E35Very low41.3Very low190 Ų190132.2 Ų132.289%0.88875%0.748SS**  trans-8784.7160.2-86-165110.300110.3T180E178-T180 PolarHBondContact O-N 3.47Å
179S35.7Very low43.7Very low99 Ų99126.3 Ų126.369%0.69271%0.714SS**  trans-8398.5162.6-172.40000108.6T177 A181T177-S179 PolarHBondContact O-N 3.43Å; S179-A181 PolarHBondContact O-N 2.74Å
180T45.1Very low46.6Very low134 Ų134121.3 Ų121.382%0.82270%0.698SS**  trans-74.161.4172.5560000110.7E178E178-T180 PolarHBondContact O-N 3.47Å
181A35.3Very low48.7Very low73 Ų73126.3 Ų126.360%0.60370%0.703SS**  trans-103.988.1-17800000110S179 E183S179-A181 PolarHBondContact O-N 2.74Å; A181-E183 PolarHBondContact O-N 3.11Å
182S40Very low51Low102 Ų102131.4 Ų131.471%0.71371%0.709SS**  trans7.4103.6157.2179.40000116.3A184S182-A184 PolarHBondContact O-N 2.87Å; S182-A184 PolarHBondContact OG-N 2.79Å
183E40.3Very low53.9Low205 Ų205130.1 Ų130.196%0.95869%0.69SS**  trans-63.481.9150.2-81.1-160.3132.300108A181 S185A181-E183 PolarHBondContact O-N 3.11Å; E183-S185 PolarHBondContact O-N 3.47Å
184A41.3Very low57.2Low75 Ų75124.3 Ų124.362%0.6266%0.659SS**  trans-60113.4172.100000107S182 R186S182-A184 PolarHBondContact O-N 2.87Å; S182-A184 PolarHBondContact OG-N 2.79Å; A184-R186 PolarHBondContact O-N 3.24Å
185S49.2Very low60.2Low100 Ų100122.7 Ų122.770%0.69965%0.648SS**  trans-51.7114.9174.5570000108E183 T187E183-S185 PolarHBondContact O-N 3.47Å; S185-T187 PolarHBondContact O-N 3.1Å
186R54.1Low63.3Low200 Ų200124.9 Ų124.976%0.75564%0.644SS**  trans-43.9115.8179.3-71.3178.5175.2178.8-3.9107.9A184 R188 D250A184-R186 PolarHBondContact O-N 3.24Å; R186-R188 VanDerWaalsContact C-N 3.3Å; R186-R188 PolarHBondContact O-N 3.24Å; R186-D250 IonicContact NH1-OD1 3.15Å
187T61.3Low66.5Low137 Ų137119.6 Ų119.684%0.8462%0.616SS**  trans-70.789.8-163.632.90000109.4S185 G189S185-T187 PolarHBondContact O-N 3.1Å; T187-G189 PolarHBondContact O-N 3.03Å
188R77Confident69.4Low180 Ų180117.5 Ų117.568%0.67960%0.597SS**  trans-41.2125.5177.5165.4172.4-83.3-168.7-8.1109.3R186 K249R186-R188 VanDerWaalsContact C-N 3.3Å; R186-R188 PolarHBondContact O-N 3.24Å; R188-K249 PolarHBondContact NE-O 2.97Å; R188-K249 PolarHBondContact NH2-O 3.23Å
189G80.5Confident72.5Confident9 Ų9113.7 Ų113.79%0.09358%0.579CS.*  trans-51.3148.5-169.900000112.9T187 R191 I194 L248T187-G189 PolarHBondContact O-N 3.03Å; G189-R191 PolarHBondContact O-N 3.37Å; G189-I194 VanDerWaalsContact O-CD1 3.28Å; G189-I194 WeakPolarHBondContact O-CD1 3.35Å; G189-L248 PolarHBondContact N-O 3.37Å
190S92.9Very high75.4Confident70 Ų70111.9 Ų111.949%0.4956%0.561SS.*  trans-52.5128.6-177.4173.70000110.4R192 Q193 I194S190-R192 PolarHBondContact O-N 3.08Å; S190-R192 VanDerWaalsContact O-N 3.08Å; S190-Q193 WeakPolarHBondContact O-CA 3.31Å; S190-Q193 WeakPolarHBondContact O-CB 3.48Å; S190-Q193 PolarHBondContact O-N 2.89Å; S190-I194 PolarHBondContact O-N 2.69Å
191R94.1Very high78Confident211 Ų211107.2 Ų107.280%0.79653%0.531SS*.Hα-helixtrans-55.7-32.6-179-180175.4173.1151.32.5112.2G189 Q195G189-R191 PolarHBondContact O-N 3.37Å; R191-Q195 WeakPolarHBondContact O-CB 3.43Å; R191-Q195 PolarHBondContact O-N 2.82Å; R191-Q195 VanDerWaalsContact O-N 3.07Å
192R95.3Very high81Confident213 Ų213106.6 Ų106.680%0.80453%0.526SS*.Hα-helixtrans-68-43.8175.1-66.1-177.8179.5174.2-0.5111.7S190 Q195 R196S190-R192 PolarHBondContact O-N 3.08Å; S190-R192 VanDerWaalsContact O-N 3.08Å; R192-Q195 PolarHBondContact O-N 2.86Å; R192-R196 PolarHBondContact O-N 2.66Å
193Q95.4Very high83.8Confident83 Ų83107.3 Ų107.339%0.38852%0.522SS..Hα-helixtrans-62.8-49.2176.5-175-172.827.600110.9S190 Q195 R196 L197 L248S190-Q193 WeakPolarHBondContact O-CA 3.31Å; S190-Q193 WeakPolarHBondContact O-CB 3.48Å; S190-Q193 PolarHBondContact O-N 2.89Å; Q193-Q195 VanDerWaalsContact C-N 3.3Å; Q193-Q195 PolarHBondContact O-N 3.33Å; Q193-R196 PolarHBondContact O-N 2.8Å; Q193-L197 HydrophobicContact CG-CD1 4.03Å; Q193-L197 VanDerWaalsContact O-CG 3.3Å; Q193-L197 WeakPolarHBondContact O-CG 3.32Å; Q193-L197 PolarHBondContact O-N 3.07Å; Q193-L248 HydrophobicContact CG-CD1 4.35Å
194I96.2Very high86.5Confident19 Ų19100.2 Ų100.210%0.09749%0.486CS..Hα-helixtrans-56.3-45.4176.2-66.5173.7000110.5G189 S190 L197 E198 L245 L248 K249G189-I194 VanDerWaalsContact O-CD1 3.28Å; G189-I194 WeakPolarHBondContact O-CD1 3.35Å; S190-I194 PolarHBondContact O-N 2.69Å; I194-L197 PolarHBondContact O-N 3.35Å; I194-E198 HydrophobicContact CG2-CG 4.34Å; I194-E198 WeakPolarHBondContact O-CB 3.47Å; I194-E198 VanDerWaalsContact O-CG 3.3Å; I194-E198 WeakPolarHBondContact O-CG 3.29Å; I194-E198 PolarHBondContact O-N 3.38Å; I194-L245 HydrophobicContact CG2-CD2 4.1Å; I194-L248 HydrophobicContact CD1-CB 4.4Å; I194-L248 HydrophobicContact CG1-CB 4.14Å; I194-K249 HydrophobicContact CD1-CG 4.16Å
195Q97.3Very high89.3Confident97 Ų9799.6 Ų99.645%0.45348%0.475SS..Hα-helixtrans-64.3-40.4177.9-175.6175.4-15.400113R191 R192 Q193 E198 Q199R191-Q195 WeakPolarHBondContact O-CB 3.43Å; R191-Q195 PolarHBondContact O-N 2.82Å; R191-Q195 VanDerWaalsContact O-N 3.07Å; R192-Q195 PolarHBondContact O-N 2.86Å; Q193-Q195 VanDerWaalsContact C-N 3.3Å; Q193-Q195 PolarHBondContact O-N 3.33Å; Q195-E198 PolarHBondContact O-N 2.65Å; Q195-Q199 VanDerWaalsContact O-CG 3.28Å; Q195-Q199 WeakPolarHBondContact O-CG 3.3Å; Q195-Q199 PolarHBondContact O-N 3.01Å
196R97.4Very high91.6Very high152 Ų15297.6 Ų97.657%0.57446%0.464SS*.Hα-helixtrans-62.2-43.5175-174.4-176.9-177.7-166.51111.3R192 Q193 Q199 L200R192-R196 PolarHBondContact O-N 2.66Å; Q193-R196 PolarHBondContact O-N 2.8Å; R196-Q199 PolarHBondContact O-N 3.4Å; R196-L200 PolarHBondContact O-N 3.09Å
197L97.6Very high93.7Very high33 Ų3391 Ų9117%0.17344%0.442CS..Hα-helixtrans-71.3-34.9179.5-63.6173.8000112.1Q193 I194 L200 L201 L241 L245 L248Q193-L197 HydrophobicContact CG-CD1 4.03Å; Q193-L197 VanDerWaalsContact O-CG 3.3Å; Q193-L197 WeakPolarHBondContact O-CG 3.32Å; Q193-L197 PolarHBondContact O-N 3.07Å; I194-L197 PolarHBondContact O-N 3.35Å; L197-L200 PolarHBondContact O-N 3.42Å; L197-L201 WeakPolarHBondContact O-CB 3.3Å; L197-L201 PolarHBondContact O-N 2.84Å; L197-L241 HydrophobicContact CB-CD1 3.98Å; L197-L241 HydrophobicContact CD2-CD1 3.59Å; L197-L241 HydrophobicContact CG-CD1 4.24Å; L197-L245 HydrophobicContact CB-CD1 4.28Å; L197-L245 HydrophobicContact CB-CD2 3.76Å; L197-L245 HydrophobicContact CB-CG 4Å; L197-L245 HydrophobicContact CD1-CD2 4.49Å; L197-L248 HydrophobicContact CD1-CD1 3.45Å; L197-L248 VanDerWaalsContact CD1-CD1 3.45Å
198E97.6Very high95.5Very high85 Ų8585 Ų8540%0.39741%0.405SS..Hα-helixtrans-64.9-37.7171-75.9174.5162.800112.2I194 Q195 A202 L245 K249I194-E198 HydrophobicContact CG2-CG 4.34Å; I194-E198 WeakPolarHBondContact O-CB 3.47Å; I194-E198 VanDerWaalsContact O-CG 3.3Å; I194-E198 WeakPolarHBondContact O-CG 3.29Å; I194-E198 PolarHBondContact O-N 3.38Å; Q195-E198 PolarHBondContact O-N 2.65Å; E198-A202 PolarHBondContact O-N 3.48Å; E198-A202 VanDerWaalsContact O-N 3.12Å; E198-L245 HydrophobicContact CG-CD1 4.37Å; E198-L245 HydrophobicContact CG-CD2 4.05Å; E198-K249 VanDerWaalsContact OE1-CE 3.3Å; E198-K249 WeakPolarHBondContact OE1-CE 3.46Å; E198-K249 IonicContact OE1-NZ 3.18Å; E198-K249 PolarHBondContact OE1-NZ 3.45Å
199Q98.3Very high96.5Very high111 Ų11182.3 Ų82.352%0.51939%0.394SS..Hα-helixtrans-66.9-44.5173.6-73.5169.2-27.600111.6Q195 R196 L201 A202 L203Q195-Q199 VanDerWaalsContact O-CG 3.28Å; Q195-Q199 WeakPolarHBondContact O-CG 3.3Å; Q195-Q199 PolarHBondContact O-N 3.01Å; R196-Q199 PolarHBondContact O-N 3.4Å; Q199-L201 VanDerWaalsContact C-N 3.33Å; Q199-L201 PolarHBondContact O-N 3.27Å; Q199-A202 PolarHBondContact O-N 3.3Å; Q199-L203 WeakPolarHBondContact O-CG 3.4Å; Q199-L203 PolarHBondContact O-N 2.84Å
200L98.3Very high97.4Very high60 Ų6087.4 Ų87.431%0.31441%0.411SS..Hα-helixtrans-61.7-40.3175-177.162000112.1R196 L197 A202 L203 Y204 L241R196-L200 PolarHBondContact O-N 3.09Å; L197-L200 PolarHBondContact O-N 3.42Å; L200-A202 VanDerWaalsContact C-N 3.31Å; L200-A202 PolarHBondContact O-N 3.44Å; L200-L203 PolarHBondContact O-N 2.92Å; L200-Y204 HydrophobicContact CD1-CD1 4.14Å; L200-Y204 HydrophobicContact CD1-CE1 3.58Å; L200-Y204 HydrophobicContact CD2-CE2 4.5Å; L200-Y204 HydrophobicContact CG-CE1 4.09Å; L200-Y204 HydrophobicContact CG-CE2 4.21Å; L200-Y204 PolarHBondContact O-N 3.27Å; L200-L241 HydrophobicContact CB-CD2 4.06Å; L200-L241 HydrophobicContact CD2-CD1 4.46Å; L200-L241 HydrophobicContact CD2-CD2 3.91Å; L200-L241 HydrophobicContact CG-CD2 3.78Å
201L98.1Very high97.7Very high36 Ų3684.3 Ų84.319%0.18839%0.389CS..Hα-helixtrans-59.8-41.6174.9-164.980.2000111.3L197 Q199 Y204 V205 L238 L241 F242 L245L197-L201 WeakPolarHBondContact O-CB 3.3Å; L197-L201 PolarHBondContact O-N 2.84Å; Q199-L201 VanDerWaalsContact C-N 3.33Å; Q199-L201 PolarHBondContact O-N 3.27Å; L201-Y204 PolarHBondContact O-N 3.47Å; L201-V205 WeakPolarHBondContact O-CG2 3.47Å; L201-V205 PolarHBondContact O-N 2.92Å; L201-L238 HydrophobicContact CD1-CD2 4.01Å; L201-L238 HydrophobicContact CD1-CG 3.79Å; L201-L241 HydrophobicContact CB-CD2 4.02Å; L201-L241 HydrophobicContact CD1-CB 4.21Å; L201-L241 HydrophobicContact CD1-CD2 3.91Å; L201-L241 HydrophobicContact CD1-CG 3.94Å; L201-F242 HydrophobicContact CD1-CB 4.42Å; L201-L245 HydrophobicContact CB-CD1 4.41Å; L201-L245 HydrophobicContact CD2-CD1 4.08Å
202A98.4Very high97.9Very high61 Ų6176.1 Ų76.150%0.50436%0.36SS..Hα-helixtrans-67.8-36.1176.200000113E198 Q199 L200 V205 A206E198-A202 PolarHBondContact O-N 3.48Å; E198-A202 VanDerWaalsContact O-N 3.12Å; Q199-A202 PolarHBondContact O-N 3.3Å; L200-A202 VanDerWaalsContact C-N 3.31Å; L200-A202 PolarHBondContact O-N 3.44Å; A202-V205 PolarHBondContact O-N 3.46Å; A202-A206 PolarHBondContact O-N 2.99Å
203L98.5Very high98Very high117 Ų11771.4 Ų71.461%0.61335%0.347SS*.Hα-helixtrans-64.4-43.4172.7-68.1173.8000111.4Q199 L200 V205 A206 E207Q199-L203 WeakPolarHBondContact O-CG 3.4Å; Q199-L203 PolarHBondContact O-N 2.84Å; L200-L203 PolarHBondContact O-N 2.92Å; L203-V205 VanDerWaalsContact C-N 3.34Å; L203-V205 PolarHBondContact O-N 2.77Å; L203-A206 PolarHBondContact O-N 3.34Å; L203-E207 PolarHBondContact O-N 3.02Å
204Y98.6Very high98.1Very high56 Ų5671.4 Ų71.422%0.2235%0.345CS..Hα-helixtrans-62.3-38.9174.6-69.2-6.8000112.2L200 L201 I208 L234 K237 L238 L241L200-Y204 HydrophobicContact CD1-CD1 4.14Å; L200-Y204 HydrophobicContact CD1-CE1 3.58Å; L200-Y204 HydrophobicContact CD2-CE2 4.5Å; L200-Y204 HydrophobicContact CG-CE1 4.09Å; L200-Y204 HydrophobicContact CG-CE2 4.21Å; L200-Y204 PolarHBondContact O-N 3.27Å; L201-Y204 PolarHBondContact O-N 3.47Å; Y204-I208 WeakPolarHBondContact O-CB 3.37Å; Y204-I208 WeakPolarHBondContact O-CD1 3.33Å; Y204-I208 WeakPolarHBondContact O-CG1 3.34Å; Y204-I208 PolarHBondContact O-N 3.48Å; Y204-L234 HydrophobicContact CD1-CD1 3.66Å; Y204-L234 HydrophobicContact CD2-CD1 4.24Å; Y204-L234 HydrophobicContact CE1-CD1 3.98Å; Y204-L234 HydrophobicContact CG-CD1 3.79Å; Y204-K237 HydrophobicContact CE2-CB 4.03Å; Y204-L238 HydrophobicContact CD2-CB 4.19Å; Y204-L241 HydrophobicContact CD2-CD2 3.89Å; Y204-L241 HydrophobicContact CE2-CD2 3.81Å
205V98.6Very high98.1Very high61 Ų6179.5 Ų79.537%0.3738%0.383SS..Hα-helixtrans-62.6-43.5173.2171.10000111.6L201 A202 L203 R209 L238L201-V205 WeakPolarHBondContact O-CG2 3.47Å; L201-V205 PolarHBondContact O-N 2.92Å; A202-V205 PolarHBondContact O-N 3.46Å; L203-V205 VanDerWaalsContact C-N 3.34Å; L203-V205 PolarHBondContact O-N 2.77Å; V205-R209 WeakPolarHBondContact O-CG 3.22Å; V205-R209 PolarHBondContact O-N 2.94Å; V205-R209 VanDerWaalsContact O-N 3.13Å; V205-L238 HydrophobicContact CG2-CD1 3.74Å
206A98.6Very high98.1Very high58 Ų5877.7 Ų77.748%0.47938%0.376SS..Hα-helixtrans-63.3-43.4179.100000112.1A202 L203 R209 R210A202-A206 PolarHBondContact O-N 2.99Å; L203-A206 PolarHBondContact O-N 3.34Å; A206-R209 PolarHBondContact O-N 3.14Å; A206-R210 PolarHBondContact O-N 3.03Å; A206-R210 VanDerWaalsContact O-N 3.1Å
207E98.5Very high98Very high63 Ų6374.9 Ų74.929%0.29437%0.372SS..Hα-helixtrans-71.7-36.5179.2-179.558.4-162.400112.6L203 R209 R210 L211 L234L203-E207 PolarHBondContact O-N 3.02Å; E207-R209 VanDerWaalsContact C-N 3.29Å; E207-R209 PolarHBondContact O-N 3.04Å; E207-R210 VanDerWaalsContact CD-NE 3.3Å; E207-R210 PolarHBondContact O-N 3.47Å; E207-R210 IonicContact OE1-CZ 2.98Å; E207-R210 VanDerWaalsContact OE1-CZ 3.28Å; E207-R210 IonicContact OE1-NE 3.27Å; E207-R210 PolarHBondContact OE1-NE 3.06Å; E207-R210 VanDerWaalsContact OE1-NE 3.08Å; E207-R210 IonicContact OE1-NH2 2.76Å; E207-R210 PolarHBondContact OE1-NH2 3.22Å; E207-R210 WeakPolarHBondContact OE2-CD 3.35Å; E207-R210 IonicContact OE2-CZ 2.79Å; E207-R210 IonicContact OE2-NE 3.8Å; E207-R210 PolarHBondContact OE2-NE 3.01Å; E207-R210 IonicContact OE2-NH2 3.18Å; E207-L211 HydrophobicContact CG-CD1 4.3Å; E207-L211 WeakPolarHBondContact O-CG 3.38Å; E207-L211 PolarHBondContact O-N 2.97Å; E207-L234 HydrophobicContact CB-CD2 3.79Å; E207-L234 HydrophobicContact CG-CD2 3.52Å
208I98.6Very high97.9Very high11 Ų1180.9 Ų80.96%0.05640%0.404CS..Hα-helixtrans-57.6-42.8170.6-74.8163.4000110.9Y204 L211 Q212 E231 L234 K235 L238Y204-I208 WeakPolarHBondContact O-CB 3.37Å; Y204-I208 WeakPolarHBondContact O-CD1 3.33Å; Y204-I208 WeakPolarHBondContact O-CG1 3.34Å; Y204-I208 PolarHBondContact O-N 3.48Å; I208-L211 PolarHBondContact O-N 3.45Å; I208-Q212 HydrophobicContact CG2-CG 4.42Å; I208-Q212 VanDerWaalsContact O-CG 3.25Å; I208-Q212 WeakPolarHBondContact O-CG 3.3Å; I208-Q212 PolarHBondContact O-N 3.39Å; I208-E231 HydrophobicContact CG2-CG 4.03Å; I208-L234 HydrophobicContact CD1-CG 4.18Å; I208-L234 HydrophobicContact CG1-CB 4.15Å; I208-L234 HydrophobicContact CG1-CD2 3.81Å; I208-L234 HydrophobicContact CG1-CG 3.83Å; I208-K235 HydrophobicContact CD1-CB 4.49Å; I208-K235 HydrophobicContact CD1-CG 3.79Å; I208-K235 HydrophobicContact CG1-CG 4.3Å; I208-K235 HydrophobicContact CG2-CG 4.41Å; I208-L238 HydrophobicContact CD1-CB 4.37Å; I208-L238 HydrophobicContact CD1-CD1 3.5Å; I208-L238 VanDerWaalsContact CD1-CD1 3.5Å
209R98.6Very high97.7Very high122 Ų12280.7 Ų80.746%0.4641%0.412SS..Hα-helixtrans-64.1-42.6176.8-69.7-177.6173.8-171.3-6.7112.3V205 A206 E207 L211 Q212 E213V205-R209 WeakPolarHBondContact O-CG 3.22Å; V205-R209 PolarHBondContact O-N 2.94Å; V205-R209 VanDerWaalsContact O-N 3.13Å; A206-R209 PolarHBondContact O-N 3.14Å; E207-R209 VanDerWaalsContact C-N 3.29Å; E207-R209 PolarHBondContact O-N 3.04Å; R209-L211 VanDerWaalsContact C-N 3.28Å; R209-L211 PolarHBondContact O-N 2.82Å; R209-Q212 PolarHBondContact O-N 3.39Å; R209-E213 WeakPolarHBondContact O-CG 3.41Å; R209-E213 PolarHBondContact O-N 2.82Å
210R98.6Very high97.5Very high116 Ų11678.1 Ų78.144%0.43840%0.4SS..Hα-helixtrans-61.7-34.6176-165.1-163.170.180.9-0.6112.5A206 E207A206-R210 PolarHBondContact O-N 3.03Å; A206-R210 VanDerWaalsContact O-N 3.1Å; E207-R210 VanDerWaalsContact CD-NE 3.3Å; E207-R210 PolarHBondContact O-N 3.47Å; E207-R210 IonicContact OE1-CZ 2.98Å; E207-R210 VanDerWaalsContact OE1-CZ 3.28Å; E207-R210 IonicContact OE1-NE 3.27Å; E207-R210 PolarHBondContact OE1-NE 3.06Å; E207-R210 VanDerWaalsContact OE1-NE 3.08Å; E207-R210 IonicContact OE1-NH2 2.76Å; E207-R210 PolarHBondContact OE1-NH2 3.22Å; E207-R210 WeakPolarHBondContact OE2-CD 3.35Å; E207-R210 IonicContact OE2-CZ 2.79Å; E207-R210 IonicContact OE2-NE 3.8Å; E207-R210 PolarHBondContact OE2-NE 3.01Å; E207-R210 IonicContact OE2-NH2 3.18Å
211L98.4Very high97.3Very high6 Ų681 Ų813%0.03142%0.415CS..Hα-helixtrans-74.2-37.8174.6-68.8169000112E207 I208 R209 E213 K214 Q230 E231 L234E207-L211 HydrophobicContact CG-CD1 4.3Å; E207-L211 WeakPolarHBondContact O-CG 3.38Å; E207-L211 PolarHBondContact O-N 2.97Å; I208-L211 PolarHBondContact O-N 3.45Å; R209-L211 VanDerWaalsContact C-N 3.28Å; R209-L211 PolarHBondContact O-N 2.82Å; L211-E213 PolarHBondContact O-N 2.87Å; L211-K214 HydrophobicContact CD2-CD 4.46Å; L211-K214 WeakPolarHBondContact O-CB 3.45Å; L211-K214 PolarHBondContact O-N 3.17Å; L211-Q230 HydrophobicContact CD1-CB 4Å; L211-Q230 HydrophobicContact CD2-CB 4.28Å; L211-E231 HydrophobicContact CB-CB 4.14Å; L211-E231 HydrophobicContact CB-CG 4.33Å; L211-E231 HydrophobicContact CD1-CB 4.35Å; L211-L234 HydrophobicContact CD1-CD2 4.28Å
212Q98.4Very high97Very high38 Ų3886.3 Ų86.318%0.17844%0.443CS..Hα-helixtrans-66.6-23.2174.2-73169.1-13.500113.8I208 R209 E231I208-Q212 HydrophobicContact CG2-CG 4.42Å; I208-Q212 VanDerWaalsContact O-CG 3.25Å; I208-Q212 WeakPolarHBondContact O-CG 3.3Å; I208-Q212 PolarHBondContact O-N 3.39Å; R209-Q212 PolarHBondContact O-N 3.39Å; Q212-E231 HydrophobicContact CG-CG 4.18Å; Q212-E231 WeakPolarHBondContact CG-OE1 3.47Å; Q212-E231 WeakPolarHBondContact CG-OE2 3.24Å; Q212-E231 PolarHBondContact NE2-OE1 3.19Å
213E98.1Very high96.9Very high114 Ų11486.7 Ų86.753%0.53344%0.437SS..THydrogen-bonded Turntrans-86.4-2.8176.2-75.3165.1-159.700113.4R209 L211 H345 L346R209-E213 WeakPolarHBondContact O-CG 3.41Å; R209-E213 PolarHBondContact O-N 2.82Å; L211-E213 PolarHBondContact O-N 2.87Å; E213-H345 IonicContact OE1-CD2 3.61Å; E213-H345 IonicContact OE1-CE1 3.56Å; E213-H345 IonicContact OE1-NE2 2.67Å; E213-H345 PolarHBondContact OE1-NE2 3.19Å; E213-L346 HydrophobicContact CG-CD1 4.38Å; E213-L346 HydrophobicContact CG-CD2 4.15Å
214K97.8Very high96.7Very high83 Ų8385.2 Ų85.236%0.36143%0.434SS..  trans-79.1132.1172.8-80-173.5144.6-140.50111.3L211L211-K214 HydrophobicContact CD2-CD 4.46Å; L211-K214 WeakPolarHBondContact O-CB 3.45Å; L211-K214 PolarHBondContact O-N 3.17Å
215E96.8Very high96.5Very high189 Ų18986.4 Ų86.488%0.88345%0.445SS*.  trans-74.6144.2158.7-61.6177.7-17500109.4
216L97Very high96.4Very high59 Ų5983.9 Ų83.931%0.30943%0.43SS..  trans-114138.3174.3-69.480.8000109.2E220 L221 S227L216-E220 HydrophobicContact CB-CB 4.11Å; L216-E220 HydrophobicContact CD2-CB 4.45Å; L216-E220 HydrophobicContact CG-CB 4.34Å; L216-L221 HydrophobicContact CB-CD2 4.38Å; L216-L221 HydrophobicContact CB-CG 4.24Å; L216-L221 HydrophobicContact CD2-CD2 4.06Å; L216-S227 VanDerWaalsContact CD1-OG 3.29Å; L216-S227 WeakPolarHBondContact CD1-OG 3.34Å; L216-S227 VanDerWaalsContact CG-OG 3.29Å; L216-S227 WeakPolarHBondContact CG-OG 3.48Å
217D95.5Very high96.4Very high93 Ų9381.2 Ų81.250%0.49741%0.407SS..  trans-92.3-179.1170.383.811.7000112.6S219 E220 L221D217-S219 PolarHBondContact O-N 3.42Å; D217-S219 WeakPolarHBondContact OD1-CA 3.19Å; D217-S219 WeakPolarHBondContact OD1-CB 3.19Å; D217-S219 PolarHBondContact OD1-N 2.89Å; D217-S219 PolarHBondContact OD1-OG 3.39Å; D217-E220 PolarHBondContact O-N 2.76Å; D217-E220 PolarHBondContact OD1-N 2.67Å; D217-L221 WeakPolarHBondContact O-CB 3.45Å; D217-L221 VanDerWaalsContact O-CG 3.3Å; D217-L221 WeakPolarHBondContact O-CG 3.21Å; D217-L221 PolarHBondContact O-N 3.35Å
218L94.3Very high96.4Very high159 Ų15985.6 Ų85.683%0.83242%0.422SS*.THydrogen-bonded Turntrans-68.7-15.5-177.8-62.5179.8000114.2L221L218-L221 HydrophobicContact CD2-CD1 4.32Å
219S93.4Very high96.3Very high81 Ų8188.1 Ų88.157%0.56644%0.436SS*.THydrogen-bonded Turntrans-91.4-41.3172.869.60000111.6D217 L221 D222 D223D217-S219 PolarHBondContact O-N 3.42Å; D217-S219 WeakPolarHBondContact OD1-CA 3.19Å; D217-S219 WeakPolarHBondContact OD1-CB 3.19Å; D217-S219 PolarHBondContact OD1-N 2.89Å; D217-S219 PolarHBondContact OD1-OG 3.39Å; S219-L221 PolarHBondContact O-N 3.13Å; S219-D222 PolarHBondContact O-N 3.48Å; S219-D222 VanDerWaalsContact O-N 3.07Å; S219-D223 PolarHBondContact O-N 2.89Å
220E94.1Very high96.3Very high58 Ų5886 Ų8627%0.27143%0.431SS..THydrogen-bonded Turntrans-61.3-26.2170.5-71.9-157.3-169.700111.9L216 D217 D222 D223 S226L216-E220 HydrophobicContact CB-CB 4.11Å; L216-E220 HydrophobicContact CD2-CB 4.45Å; L216-E220 HydrophobicContact CG-CB 4.34Å; D217-E220 PolarHBondContact O-N 2.76Å; D217-E220 PolarHBondContact OD1-N 2.67Å; E220-D222 VanDerWaalsContact C-N 3.29Å; E220-D222 PolarHBondContact O-N 3.06Å; E220-D223 PolarHBondContact O-N 2.74Å; E220-S226 WeakPolarHBondContact O-CB 3.42Å
221L93.7Very high96.3Very high119 Ų11981.4 Ų81.462%0.62341%0.414SS*.THydrogen-bonded Turntrans-72.5-15.2175.2-77.6169.6000114.9L216 D217 L218 S219L216-L221 HydrophobicContact CB-CD2 4.38Å; L216-L221 HydrophobicContact CB-CG 4.24Å; L216-L221 HydrophobicContact CD2-CD2 4.06Å; D217-L221 WeakPolarHBondContact O-CB 3.45Å; D217-L221 VanDerWaalsContact O-CG 3.3Å; D217-L221 WeakPolarHBondContact O-CG 3.21Å; D217-L221 PolarHBondContact O-N 3.35Å; L218-L221 HydrophobicContact CD2-CD1 4.32Å; S219-L221 PolarHBondContact O-N 3.13Å
222D92.3Very high96.3Very high148 Ų14882.7 Ų82.779%0.79143%0.426SS*.THydrogen-bonded Turntrans-104.3-5.3174.1-153.342000111.9S219 E220S219-D222 PolarHBondContact O-N 3.48Å; S219-D222 VanDerWaalsContact O-N 3.07Å; E220-D222 VanDerWaalsContact C-N 3.29Å; E220-D222 PolarHBondContact O-N 3.06Å
223D95.6Very high96.3Very high69 Ų6986.1 Ų86.137%0.36944%0.438SS..  trans-78.3121.9-177.4-175.8-16.4000111.8S219 E220 D225 S226S219-D223 PolarHBondContact O-N 2.89Å; E220-D223 PolarHBondContact O-N 2.74Å; D223-D225 PolarHBondContact O-N 3.08Å; D223-D225 WeakPolarHBondContact OD1-CA 3.22Å; D223-D225 PolarHBondContact OD1-N 2.99Å; D223-S226 WeakPolarHBondContact O-CB 3.41Å; D223-S226 PolarHBondContact O-N 3.44Å; D223-S226 VanDerWaalsContact O-N 3.1Å; D223-S226 PolarHBondContact O-OG 3.42Å; D223-S226 PolarHBondContact OD1-N 3.49Å
224P94.8Very high96.3Very high86 Ų8681.9 Ų81.956%0.55842%0.418SS*.THydrogen-bonded Turntrans-65.5-20.6177.828.6-36.6000114.2L229 R233P224-L229 VanDerWaalsContact O-CD1 3.23Å; P224-L229 WeakPolarHBondContact O-CD1 3.09Å; P224-R233 PolarHBondContact O-NH2 3.29Å
225D95.2Very high96.3Very high82 Ų8282.4 Ų82.444%0.43942%0.42SS..THydrogen-bonded Turntrans-106.217.1174.7-75.8-44.7000112.7D223 Q230 R233D223-D225 PolarHBondContact O-N 3.08Å; D223-D225 WeakPolarHBondContact OD1-CA 3.22Å; D223-D225 PolarHBondContact OD1-N 2.99Å; D225-Q230 WeakPolarHBondContact O-CG 3.41Å; D225-Q230 PolarHBondContact O-NE2 3.19Å; D225-R233 IonicContact OD1-CZ 2.74Å; D225-R233 IonicContact OD1-NH1 3.38Å; D225-R233 PolarHBondContact OD1-NH1 3.04Å; D225-R233 IonicContact OD1-NH2 3.86Å; D225-R233 PolarHBondContact OD1-NH2 3.15Å
226S96.8Very high96.4Very high7 Ų780.4 Ų80.45%0.04941%0.405CS..  trans-50.1154171.856.40000114.3E220 D223 Y228 L229 Q230E220-S226 WeakPolarHBondContact O-CB 3.42Å; D223-S226 WeakPolarHBondContact O-CB 3.41Å; D223-S226 PolarHBondContact O-N 3.44Å; D223-S226 VanDerWaalsContact O-N 3.1Å; D223-S226 PolarHBondContact O-OG 3.42Å; D223-S226 PolarHBondContact OD1-N 3.49Å; S226-Y228 VanDerWaalsContact C-N 3.26Å; S226-Y228 PolarHBondContact O-N 3.32Å; S226-L229 CarbonylContact O-C 3.6Å; S226-L229 PolarHBondContact O-N 3.17Å; S226-L229 WeakPolarHBondContact OG-CG 3.4Å; S226-Q230 WeakPolarHBondContact O-CG 3.46Å; S226-Q230 PolarHBondContact O-N 3.43Å
227S97.8Very high96.4Very high2 Ų282.5 Ų82.51%0.01441%0.411CS..Hα-helixtrans-52.7-39.6-179.554.20000114L216 Q230 E231L216-S227 VanDerWaalsContact CD1-OG 3.29Å; L216-S227 WeakPolarHBondContact CD1-OG 3.34Å; L216-S227 VanDerWaalsContact CG-OG 3.29Å; L216-S227 WeakPolarHBondContact CG-OG 3.48Å; S227-Q230 PolarHBondContact O-N 2.9Å; S227-E231 WeakPolarHBondContact O-CB 3.44Å; S227-E231 PolarHBondContact O-N 2.84Å
228Y97.8Very high96.6Very high155 Ų15579.4 Ų79.461%0.60840%0.395SS*.Hα-helixtrans-64.5-41174.5177.9-108000112.9S226 E231 A232S226-Y228 VanDerWaalsContact C-N 3.26Å; S226-Y228 PolarHBondContact O-N 3.32Å; Y228-E231 WeakPolarHBondContact O-CB 3.3Å; Y228-E231 PolarHBondContact O-N 2.83Å; Y228-A232 PolarHBondContact O-N 2.82Å
229L97.9Very high96.7Very high64 Ų6477 Ų7734%0.33538%0.382SS..Hα-helixtrans-74.6-33.3176.9-66.5179.1000112P224 S226 A232 R233P224-L229 VanDerWaalsContact O-CD1 3.23Å; P224-L229 WeakPolarHBondContact O-CD1 3.09Å; S226-L229 CarbonylContact O-C 3.6Å; S226-L229 PolarHBondContact O-N 3.17Å; S226-L229 WeakPolarHBondContact OG-CG 3.4Å; L229-A232 PolarHBondContact O-N 3.38Å; L229-R233 VanDerWaalsContact O-CG 3.23Å; L229-R233 WeakPolarHBondContact O-CG 3.49Å; L229-R233 PolarHBondContact O-N 3.04Å
230Q97.9Very high97Very high79 Ų7981 Ų8137%0.36938%0.384SS..Hα-helixtrans-59.7-46.4167.2-6618024.700111L211 D225 S226 S227 A232 R233 L234L211-Q230 HydrophobicContact CD1-CB 4Å; L211-Q230 HydrophobicContact CD2-CB 4.28Å; D225-Q230 WeakPolarHBondContact O-CG 3.41Å; D225-Q230 PolarHBondContact O-NE2 3.19Å; S226-Q230 WeakPolarHBondContact O-CG 3.46Å; S226-Q230 PolarHBondContact O-N 3.43Å; S227-Q230 PolarHBondContact O-N 2.9Å; Q230-A232 VanDerWaalsContact C-N 3.34Å; Q230-A232 PolarHBondContact O-N 3.11Å; Q230-R233 PolarHBondContact O-N 2.91Å; Q230-L234 WeakPolarHBondContact O-CB 3.29Å; Q230-L234 PolarHBondContact O-N 3.47Å
231E98.1Very high97.1Very high18 Ų1879.1 Ų79.18%0.08438%0.376CS..Hα-helixtrans-58.9-44.9176.5-163.9-150.2144.200111.2I208 L211 Q212 S227 Y228 R233 L234 K235I208-E231 HydrophobicContact CG2-CG 4.03Å; L211-E231 HydrophobicContact CB-CB 4.14Å; L211-E231 HydrophobicContact CB-CG 4.33Å; L211-E231 HydrophobicContact CD1-CB 4.35Å; Q212-E231 HydrophobicContact CG-CG 4.18Å; Q212-E231 WeakPolarHBondContact CG-OE1 3.47Å; Q212-E231 WeakPolarHBondContact CG-OE2 3.24Å; Q212-E231 PolarHBondContact NE2-OE1 3.19Å; S227-E231 WeakPolarHBondContact O-CB 3.44Å; S227-E231 PolarHBondContact O-N 2.84Å; Y228-E231 WeakPolarHBondContact O-CB 3.3Å; Y228-E231 PolarHBondContact O-N 2.83Å; E231-R233 PolarHBondContact O-N 3.01Å; E231-L234 PolarHBondContact O-N 3.02Å; E231-K235 HydrophobicContact CG-CD 4.39Å; E231-K235 WeakPolarHBondContact O-CB 3.31Å; E231-K235 WeakPolarHBondContact O-CG 3.48Å; E231-K235 PolarHBondContact O-N 3.18Å; E231-K235 WeakPolarHBondContact OE1-CD 3.38Å; E231-K235 WeakPolarHBondContact OE1-CE 3.45Å; E231-K235 IonicContact OE1-NZ 2.66Å; E231-K235 PolarHBondContact OE1-NZ 2.85Å
232A98.1Very high97.3Very high34 Ų3476.5 Ų76.528%0.28136%0.36SS..Hα-helixtrans-67.2-32.5177.300000113.4Y228 L229 Q230 R236Y228-A232 PolarHBondContact O-N 2.82Å; L229-A232 PolarHBondContact O-N 3.38Å; Q230-A232 VanDerWaalsContact C-N 3.34Å; Q230-A232 PolarHBondContact O-N 3.11Å; A232-R236 WeakPolarHBondContact O-CG 3.37Å; A232-R236 PolarHBondContact O-N 3.23Å; A232-R236 PolarHBondContact O-NE 3.34Å
233R98.3Very high97.6Very high110 Ų11070.4 Ų70.442%0.41533%0.332SS..Hα-helixtrans-68.9-43170.6-70169-164.2-169.213.1110.8P224 D225 L229 Q230 E231 R236 K237P224-R233 PolarHBondContact O-NH2 3.29Å; D225-R233 IonicContact OD1-CZ 2.74Å; D225-R233 IonicContact OD1-NH1 3.38Å; D225-R233 PolarHBondContact OD1-NH1 3.04Å; D225-R233 IonicContact OD1-NH2 3.86Å; D225-R233 PolarHBondContact OD1-NH2 3.15Å; L229-R233 VanDerWaalsContact O-CG 3.23Å; L229-R233 WeakPolarHBondContact O-CG 3.49Å; L229-R233 PolarHBondContact O-N 3.04Å; Q230-R233 PolarHBondContact O-N 2.91Å; E231-R233 PolarHBondContact O-N 3.01Å; R233-R236 WeakPolarHBondContact O-CB 3.45Å; R233-R236 PolarHBondContact O-N 3.05Å; R233-K237 PolarHBondContact O-N 3Å
234L98.4Very high97.6Very high25 Ų2573.6 Ų73.613%0.13134%0.339CS..Hα-helixtrans-72.7-40.4-177.1-170.556000112.9Y204 E207 I208 L211 Q230 E231 R236 K237 L238Y204-L234 HydrophobicContact CD1-CD1 3.66Å; Y204-L234 HydrophobicContact CD2-CD1 4.24Å; Y204-L234 HydrophobicContact CE1-CD1 3.98Å; Y204-L234 HydrophobicContact CG-CD1 3.79Å; E207-L234 HydrophobicContact CB-CD2 3.79Å; E207-L234 HydrophobicContact CG-CD2 3.52Å; I208-L234 HydrophobicContact CD1-CG 4.18Å; I208-L234 HydrophobicContact CG1-CB 4.15Å; I208-L234 HydrophobicContact CG1-CD2 3.81Å; I208-L234 HydrophobicContact CG1-CG 3.83Å; L211-L234 HydrophobicContact CD1-CD2 4.28Å; Q230-L234 WeakPolarHBondContact O-CB 3.29Å; Q230-L234 PolarHBondContact O-N 3.47Å; E231-L234 PolarHBondContact O-N 3.02Å; L234-R236 VanDerWaalsContact C-N 3.26Å; L234-R236 PolarHBondContact O-N 3.47Å; L234-K237 PolarHBondContact O-N 3.36Å; L234-K237 VanDerWaalsContact O-N 3.12Å; L234-L238 WeakPolarHBondContact O-CB 3.45Å; L234-L238 PolarHBondContact O-N 3.45Å
235K98.3Very high97.7Very high93 Ų9369.7 Ų69.740%0.40431%0.313SS..Hα-helixtrans-54.2-41.6168.7-83.5174.7160.1170.40111.6I208 E231 L238 I239I208-K235 HydrophobicContact CD1-CB 4.49Å; I208-K235 HydrophobicContact CD1-CG 3.79Å; I208-K235 HydrophobicContact CG1-CG 4.3Å; I208-K235 HydrophobicContact CG2-CG 4.41Å; E231-K235 HydrophobicContact CG-CD 4.39Å; E231-K235 WeakPolarHBondContact O-CB 3.31Å; E231-K235 WeakPolarHBondContact O-CG 3.48Å; E231-K235 PolarHBondContact O-N 3.18Å; E231-K235 WeakPolarHBondContact OE1-CD 3.38Å; E231-K235 WeakPolarHBondContact OE1-CE 3.45Å; E231-K235 IonicContact OE1-NZ 2.66Å; E231-K235 PolarHBondContact OE1-NZ 2.85Å; K235-L238 PolarHBondContact O-N 3.17Å; K235-I239 WeakPolarHBondContact O-CG1 3.33Å; K235-I239 PolarHBondContact O-N 2.85Å
236R98.4Very high97.8Very high147 Ų14766.3 Ų66.356%0.55530%0.296SS*.Hα-helixtrans-66-41.9174.7-75.1178.3-73.2166.9-4.2112.6A232 R233 L234 R240A232-R236 WeakPolarHBondContact O-CG 3.37Å; A232-R236 PolarHBondContact O-N 3.23Å; A232-R236 PolarHBondContact O-NE 3.34Å; R233-R236 WeakPolarHBondContact O-CB 3.45Å; R233-R236 PolarHBondContact O-N 3.05Å; L234-R236 VanDerWaalsContact C-N 3.26Å; L234-R236 PolarHBondContact O-N 3.47Å; R236-R240 PolarHBondContact O-N 3.38Å
237K98.3Very high97.8Very high103 Ų10371.4 Ų71.445%0.44832%0.319SS..Hα-helixtrans-61.5-41.7172.6-70.6-168.9177.2-168.40111.5Y204 R233 L234 R240 L241Y204-K237 HydrophobicContact CE2-CB 4.03Å; R233-K237 PolarHBondContact O-N 3Å; L234-K237 PolarHBondContact O-N 3.36Å; L234-K237 VanDerWaalsContact O-N 3.12Å; K237-R240 PolarHBondContact O-N 3.07Å; K237-L241 WeakPolarHBondContact O-CB 3.28Å; K237-L241 PolarHBondContact O-N 2.97Å
238L98.4Very high97.7Very high29 Ų2972.4 Ų72.415%0.15232%0.324CS..Hα-helixtrans-61.2-47.7177.5-174.9162000112.9L201 Y204 V205 I208 L234 K235 R240 L241 F242L201-L238 HydrophobicContact CD1-CD2 4.01Å; L201-L238 HydrophobicContact CD1-CG 3.79Å; Y204-L238 HydrophobicContact CD2-CB 4.19Å; V205-L238 HydrophobicContact CG2-CD1 3.74Å; I208-L238 HydrophobicContact CD1-CB 4.37Å; I208-L238 HydrophobicContact CD1-CD1 3.5Å; I208-L238 VanDerWaalsContact CD1-CD1 3.5Å; L234-L238 WeakPolarHBondContact O-CB 3.45Å; L234-L238 PolarHBondContact O-N 3.45Å; K235-L238 PolarHBondContact O-N 3.17Å; L238-R240 VanDerWaalsContact C-N 3.35Å; L238-R240 PolarHBondContact O-N 2.94Å; L238-L241 WeakPolarHBondContact O-CB 3.46Å; L238-L241 PolarHBondContact O-N 2.88Å; L238-F242 PolarHBondContact O-N 2.98Å
239I97.8Very high97.6Very high109 Ų10967.9 Ų67.956%0.55931%0.308SS*.Hα-helixtrans-66.6-35.4-179.3-65-63.3000111.9K235 F242 G243K235-I239 WeakPolarHBondContact O-CG1 3.33Å; K235-I239 PolarHBondContact O-N 2.85Å; I239-F242 PolarHBondContact O-N 3.34Å; I239-G243 PolarHBondContact O-N 2.91Å
240R98.1Very high97.4Very high164 Ų16469.5 Ų69.562%0.61932%0.317SS*.Hα-helixtrans-63.3-44.5171.4-69.3-166.8-64.9-106.813.7112R236 K237 L238 F242 G243 R244R236-R240 PolarHBondContact O-N 3.38Å; K237-R240 PolarHBondContact O-N 3.07Å; L238-R240 VanDerWaalsContact C-N 3.35Å; L238-R240 PolarHBondContact O-N 2.94Å; R240-F242 VanDerWaalsContact C-N 3.32Å; R240-F242 PolarHBondContact O-N 3.26Å; R240-G243 PolarHBondContact O-N 3.1Å; R240-R244 PolarHBondContact O-N 3.33Å
241L97.9Very high97.3Very high19 Ų1969.2 Ų69.210%0.09932%0.323CS..Hα-helixtrans-61.5-38175.7179.459.8000112.4L197 L200 L201 Y204 K237 L238 L245L197-L241 HydrophobicContact CB-CD1 3.98Å; L197-L241 HydrophobicContact CD2-CD1 3.59Å; L197-L241 HydrophobicContact CG-CD1 4.24Å; L200-L241 HydrophobicContact CB-CD2 4.06Å; L200-L241 HydrophobicContact CD2-CD1 4.46Å; L200-L241 HydrophobicContact CD2-CD2 3.91Å; L200-L241 HydrophobicContact CG-CD2 3.78Å; L201-L241 HydrophobicContact CB-CD2 4.02Å; L201-L241 HydrophobicContact CD1-CB 4.21Å; L201-L241 HydrophobicContact CD1-CD2 3.91Å; L201-L241 HydrophobicContact CD1-CG 3.94Å; Y204-L241 HydrophobicContact CD2-CD2 3.89Å; Y204-L241 HydrophobicContact CE2-CD2 3.81Å; K237-L241 WeakPolarHBondContact O-CB 3.28Å; K237-L241 PolarHBondContact O-N 2.97Å; L238-L241 WeakPolarHBondContact O-CB 3.46Å; L238-L241 PolarHBondContact O-N 2.88Å; L241-L245 WeakPolarHBondContact O-CB 3.41Å; L241-L245 PolarHBondContact O-N 2.81Å
242F98.1Very high97.1Very high64 Ų6472.1 Ų72.128%0.28135%0.345SS..Hα-helixtrans-63.9-45172.8174.4-100.8000112.3L201 L238 I239 R240 R244 L245 C246 T255L201-F242 HydrophobicContact CD1-CB 4.42Å; L238-F242 PolarHBondContact O-N 2.98Å; I239-F242 PolarHBondContact O-N 3.34Å; R240-F242 VanDerWaalsContact C-N 3.32Å; R240-F242 PolarHBondContact O-N 3.26Å; F242-R244 PolarHBondContact O-N 2.98Å; F242-L245 WeakPolarHBondContact O-CB 3.37Å; F242-L245 PolarHBondContact O-N 3.19Å; F242-L245 VanDerWaalsContact O-N 3.14Å; F242-C246 PolarHBondContact O-N 2.96Å; F242-T255 HydrophobicContact CE1-CG2 4.07Å; F242-T255 HydrophobicContact CZ-CG2 4.46Å
243G97.1Very high96.9Very high20 Ų2074.4 Ų74.421%0.20636%0.359CS..Hα-helixtrans-55.5-49.8174.400000112.3I239 R240 L245 C246 E247I239-G243 PolarHBondContact O-N 2.91Å; R240-G243 PolarHBondContact O-N 3.1Å; G243-L245 VanDerWaalsContact C-N 3.29Å; G243-L245 PolarHBondContact O-N 3.32Å; G243-C246 WeakPolarHBondContact O-CB 3.31Å; G243-C246 PolarHBondContact O-N 2.91Å; G243-E247 PolarHBondContact O-N 3.43Å
244R96.6Very high96.7Very high135 Ų13574.6 Ų74.651%0.50937%0.367SS..Hα-helixtrans-61.8-34.3176.2-170.554.2161.2-176-6.7113R240 F242 E247 L248R240-R244 PolarHBondContact O-N 3.33Å; F242-R244 PolarHBondContact O-N 2.98Å; R244-E247 WeakPolarHBondContact CD-OE2 3.27Å; R244-E247 IonicContact CZ-OE2 2.7Å; R244-E247 IonicContact NE-OE2 2.71Å; R244-E247 IonicContact NH1-OE2 3.66Å; R244-E247 PolarHBondContact NH1-OE2 3.25Å; R244-L248 HydrophobicContact CG-CD1 4.29Å; R244-L248 WeakPolarHBondContact O-CB 3.3Å; R244-L248 VanDerWaalsContact O-CG 3.28Å; R244-L248 WeakPolarHBondContact O-CG 3.38Å; R244-L248 PolarHBondContact O-N 2.88Å; R244-L248 VanDerWaalsContact O-N 3.07Å
245L96.9Very high96.5Very high4 Ų477.2 Ų77.22%0.02139%0.385CS..Hα-helixtrans-67.3-34.1172.6-87.4167.4000112.8I194 L197 E198 L201 L241 F242 G243 K249I194-L245 HydrophobicContact CG2-CD2 4.1Å; L197-L245 HydrophobicContact CB-CD1 4.28Å; L197-L245 HydrophobicContact CB-CD2 3.76Å; L197-L245 HydrophobicContact CB-CG 4Å; L197-L245 HydrophobicContact CD1-CD2 4.49Å; E198-L245 HydrophobicContact CG-CD1 4.37Å; E198-L245 HydrophobicContact CG-CD2 4.05Å; L201-L245 HydrophobicContact CB-CD1 4.41Å; L201-L245 HydrophobicContact CD2-CD1 4.08Å; L241-L245 WeakPolarHBondContact O-CB 3.41Å; L241-L245 PolarHBondContact O-N 2.81Å; F242-L245 WeakPolarHBondContact O-CB 3.37Å; F242-L245 PolarHBondContact O-N 3.19Å; F242-L245 VanDerWaalsContact O-N 3.14Å; G243-L245 VanDerWaalsContact C-N 3.29Å; G243-L245 PolarHBondContact O-N 3.32Å; L245-K249 WeakPolarHBondContact O-CB 3.45Å; L245-K249 WeakPolarHBondContact O-CD 3.36Å; L245-K249 WeakPolarHBondContact O-CG 3.47Å; L245-K249 PolarHBondContact O-N 3.43Å
246C96.9Very high96.3Very high12 Ų1275.8 Ų75.88%0.08140%0.396CS..Hα-helixtrans-69.6-43.8174-75.30000112F242 G243 K249 D250 C251 S252F242-C246 PolarHBondContact O-N 2.96Å; G243-C246 WeakPolarHBondContact O-CB 3.31Å; G243-C246 PolarHBondContact O-N 2.91Å; C246-K249 PolarHBondContact O-N 3.37Å; C246-D250 PolarHBondContact O-N 3.04Å; C246-D250 VanDerWaalsContact O-N 3.15Å; C246-C251 HydrophobicContact CB-CB 4.36Å; C246-C251 PolarHBondContact O-N 3.28Å; C246-S252 PolarHBondContact SG-O 3.12Å
247E96.1Very high96Very high114 Ų11472.9 Ų72.953%0.53339%0.385SS..Hα-helixtrans-54-54.6172.4-68165.3-159.500111.6G243 R244 K249 D250G243-E247 PolarHBondContact O-N 3.43Å; R244-E247 WeakPolarHBondContact CD-OE2 3.27Å; R244-E247 IonicContact CZ-OE2 2.7Å; R244-E247 IonicContact NE-OE2 2.71Å; R244-E247 IonicContact NH1-OE2 3.66Å; R244-E247 PolarHBondContact NH1-OE2 3.25Å; E247-K249 PolarHBondContact O-N 3.22Å; E247-K249 VanDerWaalsContact O-N 3.14Å; E247-D250 PolarHBondContact O-N 3.44Å
248L95.9Very high95.9Very high22 Ų2268.9 Ų68.912%0.11537%0.37CS..Hα-helixtrans-62.7-23.2-178.5-70170.3000113.3G189 Q193 I194 L197 R244G189-L248 PolarHBondContact N-O 3.37Å; Q193-L248 HydrophobicContact CG-CD1 4.35Å; I194-L248 HydrophobicContact CD1-CB 4.4Å; I194-L248 HydrophobicContact CG1-CB 4.14Å; L197-L248 HydrophobicContact CD1-CD1 3.45Å; L197-L248 VanDerWaalsContact CD1-CD1 3.45Å; R244-L248 HydrophobicContact CG-CD1 4.29Å; R244-L248 WeakPolarHBondContact O-CB 3.3Å; R244-L248 VanDerWaalsContact O-CG 3.28Å; R244-L248 WeakPolarHBondContact O-CG 3.38Å; R244-L248 PolarHBondContact O-N 2.88Å; R244-L248 VanDerWaalsContact O-N 3.07Å
249K95.5Very high95.6Very high60 Ų6069.4 Ų69.426%0.26137%0.372SS..Hα-helixtrans-89.9-11.1177.7-72.8171-178.3175.40113.6R188 I194 E198 L245 C246 E247 C251R188-K249 PolarHBondContact NE-O 2.97Å; R188-K249 PolarHBondContact NH2-O 3.23Å; I194-K249 HydrophobicContact CD1-CG 4.16Å; E198-K249 VanDerWaalsContact OE1-CE 3.3Å; E198-K249 WeakPolarHBondContact OE1-CE 3.46Å; E198-K249 IonicContact OE1-NZ 3.18Å; E198-K249 PolarHBondContact OE1-NZ 3.45Å; L245-K249 WeakPolarHBondContact O-CB 3.45Å; L245-K249 WeakPolarHBondContact O-CD 3.36Å; L245-K249 WeakPolarHBondContact O-CG 3.47Å; L245-K249 PolarHBondContact O-N 3.43Å; C246-K249 PolarHBondContact O-N 3.37Å; E247-K249 PolarHBondContact O-N 3.22Å; E247-K249 VanDerWaalsContact O-N 3.14Å; K249-C251 HydrophobicContact CB-CB 4.25Å
250D94.8Very high95.3Very high99 Ų9967.6 Ų67.653%0.52936%0.361SS..THydrogen-bonded Turntrans55.761.7-164.2-160.642.3000110.6R186 C246 E247R186-D250 IonicContact NH1-OD1 3.15Å; C246-D250 PolarHBondContact O-N 3.04Å; C246-D250 VanDerWaalsContact O-N 3.15Å; E247-D250 PolarHBondContact O-N 3.44Å
251C94.8Very high95.1Very high73 Ų7365.1 Ų65.149%0.49336%0.357SS..  trans-133.1156.1-176.8-70.70000111.1C246 K249C246-C251 HydrophobicContact CB-CB 4.36Å; C246-C251 PolarHBondContact O-N 3.28Å; K249-C251 HydrophobicContact CB-CB 4.25Å
252S93.8Very high94.9Very high79 Ų7971.2 Ų71.255%0.55238%0.378SS*.  trans-70.3153.3171.5-172.20000111.3C246 L254C246-S252 PolarHBondContact SG-O 3.12Å; S252-L254 VanDerWaalsContact C-N 3.28Å; S252-L254 WeakPolarHBondContact OG-CG 3.47Å; S252-L254 PolarHBondContact OG-N 3.5Å
253S94.6Very high94.8Very high82 Ų8269 Ų6957%0.57337%0.37SS*.  trans-81.4-0.8172.149.90000114.2
254L93.6Very high94.7Very high113 Ų11371.6 Ų71.659%0.59238%0.383SS*.  trans-57.8137.1174.3-70.2170.8000111.4S252 E260S252-L254 VanDerWaalsContact C-N 3.28Å; S252-L254 WeakPolarHBondContact OG-CG 3.47Å; S252-L254 PolarHBondContact OG-N 3.5Å; L254-E260 HydrophobicContact CD2-CB 4.17Å; L254-E260 HydrophobicContact CD2-CG 3.88Å
255T94.4Very high94.8Very high81 Ų8165.3 Ų65.350%0.49736%0.359SS..  trans-101.8-12.8-173.760.10000113.6F242 R257 E260F242-T255 HydrophobicContact CE1-CG2 4.07Å; F242-T255 HydrophobicContact CZ-CG2 4.46Å; T255-R257 WeakPolarHBondContact OG1-CG 3.36Å; T255-E260 PolarHBondContact N-OE1 3.39Å; T255-E260 PolarHBondContact N-OE2 2.95Å; T255-E260 VanDerWaalsContact N-OE2 3.09Å; T255-E260 PolarHBondContact OG1-OE1 3.49Å
256G93.4Very high94.8Very high63 Ų6372 Ų7265%0.64938%0.384SS*.  trans89.310.5-174.400000114E260G256-E260 WeakPolarHBondContact CA-OE2 3.33Å; G256-E260 PolarHBondContact N-OE2 3.37Å
257R93.8Very high94.7Very high86 Ų8673.8 Ų73.833%0.32540%0.404SS..  trans-59.8157.4178.7-90.317870-170.79.2112.9T255 I259 E260 D337T255-R257 WeakPolarHBondContact OG1-CG 3.36Å; R257-I259 HydrophobicContact CB-CG2 4.22Å; R257-E260 HydrophobicContact CB-CG 4.01Å; R257-E260 PolarHBondContact N-OE2 2.91Å; R257-E260 WeakPolarHBondContact O-CB 3.47Å; R257-E260 PolarHBondContact O-N 3.25Å; R257-D337 WeakPolarHBondContact CB-OD1 3.36Å; R257-D337 IonicContact CZ-OD2 2.66Å; R257-D337 VanDerWaalsContact CZ-OD2 3.27Å; R257-D337 IonicContact NE-OD1 2.73Å; R257-D337 PolarHBondContact NE-OD1 3.07Å; R257-D337 IonicContact NE-OD2 3.33Å; R257-D337 PolarHBondContact NE-OD2 3.48Å; R257-D337 IonicContact NH2-OD2 3.02Å; R257-D337 PolarHBondContact NH2-OD2 2.85Å
258V94.6Very high94.7Very high19 Ų1968.9 Ų68.912%0.11538%0.382CS..SBendtrans-73.1-30.5-179.8174.60000111.4E260 Q261 R333 L336 D337 Y340V258-E260 PolarHBondContact O-N 3.03Å; V258-Q261 VanDerWaalsContact O-CB 3.29Å; V258-Q261 WeakPolarHBondContact O-CB 3.35Å; V258-Q261 PolarHBondContact O-N 3.1Å; V258-R333 HydrophobicContact CG1-CG 3.94Å; V258-R333 WeakPolarHBondContact O-CD 3.41Å; V258-R333 VanDerWaalsContact O-CG 3.31Å; V258-R333 WeakPolarHBondContact O-CG 3.35Å; V258-L336 HydrophobicContact CG1-CB 3.85Å; V258-D337 HydrophobicContact CB-CB 3.99Å; V258-D337 PolarHBondContact N-OD1 2.88Å; V258-Y340 HydrophobicContact CG2-CD2 3.67Å; V258-Y340 HydrophobicContact CG2-CE2 4.1Å
259I92.2Very high94.7Very high40 Ų4075.9 Ų75.921%0.20541%0.407CS..THydrogen-bonded Turntrans-65.1-24.8172.9-162.7161.6000113.2R257 Q261 L286 D337R257-I259 HydrophobicContact CB-CG2 4.22Å; I259-Q261 PolarHBondContact O-N 2.85Å; I259-L286 HydrophobicContact CD1-CD2 4.16Å; I259-D337 HydrophobicContact CB-CB 4.24Å; I259-D337 PolarHBondContact N-OD1 2.97Å
260E92.3Very high94.8Very high70 Ų7075 Ų7533%0.32740%0.402SS..THydrogen-bonded Turntrans-72.9-14.7173.4-59172.8-174.600112.3L254 T255 G256 R257 V258L254-E260 HydrophobicContact CD2-CB 4.17Å; L254-E260 HydrophobicContact CD2-CG 3.88Å; T255-E260 PolarHBondContact N-OE1 3.39Å; T255-E260 PolarHBondContact N-OE2 2.95Å; T255-E260 VanDerWaalsContact N-OE2 3.09Å; T255-E260 PolarHBondContact OG1-OE1 3.49Å; G256-E260 WeakPolarHBondContact CA-OE2 3.33Å; G256-E260 PolarHBondContact N-OE2 3.37Å; R257-E260 HydrophobicContact CB-CG 4.01Å; R257-E260 PolarHBondContact N-OE2 2.91Å; R257-E260 WeakPolarHBondContact O-CB 3.47Å; R257-E260 PolarHBondContact O-N 3.25Å; V258-E260 PolarHBondContact O-N 3.03Å
261Q93.1Very high94.9Very high113 Ų11373.3 Ų73.353%0.52840%0.397SS..SBendtrans-76.4127.9-178-59.3-176.521.500111.5V258 I259 I263 R333V258-Q261 VanDerWaalsContact O-CB 3.29Å; V258-Q261 WeakPolarHBondContact O-CB 3.35Å; V258-Q261 PolarHBondContact O-N 3.1Å; I259-Q261 PolarHBondContact O-N 2.85Å; Q261-I263 PolarHBondContact O-N 3.1Å; Q261-R333 WeakPolarHBondContact O-CD 3.42Å; Q261-R333 PolarHBondContact O-NH1 3.11Å
262R94.4Very high95Very high147 Ų14772 Ų7256%0.55538%0.384SS*.  trans-75.9111.5-176.2-176.9-172.5176.2-74.93.7111.5P264 E278 N282R262-P264 VanDerWaalsContact O-CD 3.31Å; R262-P264 WeakPolarHBondContact O-CD 3.36Å; R262-E278 IonicContact CZ-OE1 3.75Å; R262-E278 VanDerWaalsContact CZ-OE1 3.24Å; R262-E278 IonicContact NH1-OE1 3.25Å; R262-E278 PolarHBondContact NH1-OE1 2.94Å; R262-E278 IonicContact NH2-OE1 2.69Å; R262-E278 PolarHBondContact NH2-OE1 3.46Å; R262-E278 IonicContact NH2-OE2 3.4Å; R262-N282 WeakPolarHBondContact CA-OD1 3.03Å; R262-N282 HydrophobicContact CG-CB 4.23Å
263I95.3Very high95.2Very high18 Ų1868.3 Ų68.39%0.09236%0.357CS..  trans-70.6117.6176.6-60.7171000109.4Q261 I281 N282 R329 L330 R333Q261-I263 PolarHBondContact O-N 3.1Å; I263-I281 HydrophobicContact CB-CD1 4.01Å; I263-I281 HydrophobicContact CG2-CD1 3.85Å; I263-N282 PolarHBondContact N-OD1 3.46Å; I263-N282 PolarHBondContact O-ND2 3.15Å; I263-R329 HydrophobicContact CD1-CB 4.23Å; I263-R329 HydrophobicContact CG2-CB 4.05Å; I263-L330 HydrophobicContact CD1-CD2 3.73Å; I263-L330 HydrophobicContact CD1-CG 4.21Å; I263-R333 HydrophobicContact CD1-CB 4.19Å
264P96.8Very high95.3Very high74 Ų7464.8 Ų64.848%0.48133%0.332SS..  trans-75.5136.9170.131.9-32.7000110.1R262 R329R262-P264 VanDerWaalsContact O-CD 3.31Å; R262-P264 WeakPolarHBondContact O-CD 3.36Å; P264-R329 PolarHBondContact O-NH1 3.05Å
265Y97.4Very high95.5Very high3 Ų366.4 Ų66.41%0.01233%0.33CS..  trans-121.8125.8177179.4-89.6000111.7G267 T268 N274 I277 A322 D325 V326Y265-G267 WeakPolarHBondContact OH-CA 3.38Å; Y265-T268 HydrophobicContact CE1-CG2 4.3Å; Y265-N274 HydrophobicContact CD1-CB 4.26Å; Y265-N274 VanDerWaalsContact CE1-OD1 3.23Å; Y265-N274 WeakPolarHBondContact CE1-OD1 3.25Å; Y265-I277 HydrophobicContact CD1-CB 3.73Å; Y265-I277 HydrophobicContact CD1-CD1 4.1Å; Y265-I277 HydrophobicContact CD1-CG2 3.66Å; Y265-I277 HydrophobicContact CD2-CG2 4.02Å; Y265-I277 HydrophobicContact CE1-CB 4.02Å; Y265-I277 HydrophobicContact CE1-CD1 3.47Å; Y265-I277 VanDerWaalsContact CE1-CD1 3.47Å; Y265-I277 HydrophobicContact CE1-CG1 4.37Å; Y265-I277 HydrophobicContact CE1-CG2 3.98Å; Y265-I277 HydrophobicContact CE2-CG2 4.28Å; Y265-I277 HydrophobicContact CG-CB 4.25Å; Y265-I277 HydrophobicContact CG-CG2 3.7Å; Y265-A322 WeakPolarHBondContact OH-CA 3.04Å; Y265-A322 VanDerWaalsContact OH-CB 3.27Å; Y265-A322 WeakPolarHBondContact OH-CB 3.5Å; Y265-D325 HydrophobicContact CE2-CB 4.33Å; Y265-D325 WeakPolarHBondContact CE2-OD2 3.47Å; Y265-V326 HydrophobicContact CD2-CG2 3.72Å; Y265-V326 HydrophobicContact CE2-CG2 3.91Å
266R97.2Very high95.7Very high144 Ų14466.5 Ų66.554%0.54332%0.322SS..  trans-141.620.6-176.8-63.1-68.1171.9-102.8-5.2112.7T268 E278R266-T268 VanDerWaalsContact C-N 3.32Å; R266-T268 PolarHBondContact O-N 3.02Å; R266-E278 IonicContact CZ-OE1 3.02Å; R266-E278 IonicContact CZ-OE2 3.88Å; R266-E278 VanDerWaalsContact NH1-CD 3.32Å; R266-E278 IonicContact NH1-OE1 3.33Å; R266-E278 IonicContact NH1-OE2 3.18Å; R266-E278 PolarHBondContact NH1-OE2 2.91Å; R266-E278 IonicContact NH2-OE1 3.62Å; R266-E278 PolarHBondContact NH2-OE1 3.47Å; R266-E278 IonicContact NH2-OE2 2.8Å; R266-E278 PolarHBondContact NH2-OE2 3.23Å
267G95Very high95.8Very high50 Ų5063.5 Ų63.552%0.51529%0.291SS..  trans-67.7-23.4-171.400000115.2Y265Y265-G267 WeakPolarHBondContact OH-CA 3.38Å
268T95.9Very high96Very high11 Ų1159.9 Ų59.97%0.06728%0.277CS..SBendtrans-99158.7177.380.40000112.5Y265 R266 Y270 V273 N274 L318Y265-T268 HydrophobicContact CE1-CG2 4.3Å; R266-T268 VanDerWaalsContact C-N 3.32Å; R266-T268 PolarHBondContact O-N 3.02Å; T268-Y270 PolarHBondContact O-N 2.96Å; T268-Y270 PolarHBondContact OG1-N 3Å; T268-Y270 PolarHBondContact OG1-O 3.41Å; T268-V273 HydrophobicContact CG2-CG1 3.97Å; T268-N274 WeakPolarHBondContact CB-OD1 3.47Å; T268-N274 PolarHBondContact N-OD1 2.66Å; T268-N274 PolarHBondContact O-ND2 3.36Å; T268-N274 PolarHBondContact O-OD1 3.27Å; T268-N274 PolarHBondContact OG1-OD1 2.9Å; T268-L318 HydrophobicContact CG2-CD2 4.11Å
269R95.8Very high96Very high169 Ų16966.1 Ų66.164%0.63830%0.299SS*.SBendtrans-71.30170.971.8-175.3-177.6-150.8-3.1114.9
270Y97.2Very high96.1Very high41 Ų4165 Ų6516%0.16129%0.293CS..  trans-112.9105.5-174.1-64.3-73.2000110.8T268 E272 V273 N274 L308 L310 L318T268-Y270 PolarHBondContact O-N 2.96Å; T268-Y270 PolarHBondContact OG1-N 3Å; T268-Y270 PolarHBondContact OG1-O 3.41Å; Y270-E272 PolarHBondContact O-N 3.01Å; Y270-E272 VanDerWaalsContact O-N 3.11Å; Y270-V273 HydrophobicContact CG-CG2 4.48Å; Y270-V273 PolarHBondContact O-N 2.85Å; Y270-N274 VanDerWaalsContact O-CG 3.32Å; Y270-N274 PolarHBondContact O-N 3.25Å; Y270-N274 PolarHBondContact O-ND2 3.31Å; Y270-L308 HydrophobicContact CD1-CD1 3.8Å; Y270-L308 HydrophobicContact CD1-CD2 4.18Å; Y270-L308 HydrophobicContact CE1-CD1 4.4Å; Y270-L308 HydrophobicContact CG-CD1 3.98Å; Y270-L310 HydrophobicContact CD2-CD1 4.24Å; Y270-L310 HydrophobicContact CE1-CD2 4.48Å; Y270-L310 HydrophobicContact CE2-CD1 3.84Å; Y270-L310 HydrophobicContact CE2-CD2 4.12Å; Y270-L310 VanDerWaalsContact OH-CD2 3.31Å; Y270-L310 WeakPolarHBondContact OH-CD2 3.33Å; Y270-L318 HydrophobicContact CD2-CD1 4.29Å; Y270-L318 HydrophobicContact CE2-CD1 4.17Å
271P97.6Very high96.3Very high63 Ų6361.7 Ų61.741%0.40928%0.278SS..Hα-helixtrans-55.5-29.1-179.7-26.835.3000114.3R275P271-R275 VanDerWaalsContact O-CB 3.28Å; P271-R275 WeakPolarHBondContact O-CB 3.3Å; P271-R275 WeakPolarHBondContact O-CD 3.36Å; P271-R275 WeakPolarHBondContact O-CG 3.44Å; P271-R275 PolarHBondContact O-N 2.88Å
272E97.1Very high96.3Very high47 Ų4758.1 Ų58.122%0.2226%0.263CS..Hα-helixtrans-70.5-47.5-178.3-62.559.3-125.300110.6Y270 R275 R276 H306Y270-E272 PolarHBondContact O-N 3.01Å; Y270-E272 VanDerWaalsContact O-N 3.11Å; E272-R275 PolarHBondContact O-N 2.9Å; E272-R276 PolarHBondContact O-N 3.36Å; E272-R276 VanDerWaalsContact O-N 3.09Å; E272-H306 HydrophobicContact CB-CB 4.33Å; E272-H306 HydrophobicContact CG-CB 3.98Å
273V97.4Very high96.1Very high0 Ų056.4 Ų56.40%026%0.259CS..Hα-helixtrans-63.5-48.2173.4177.10000109.5T268 Y270 R275 R276 I277 V299 A302 L308T268-V273 HydrophobicContact CG2-CG1 3.97Å; Y270-V273 HydrophobicContact CG-CG2 4.48Å; Y270-V273 PolarHBondContact O-N 2.85Å; V273-R275 PolarHBondContact O-N 3.37Å; V273-R276 WeakPolarHBondContact O-CB 3.3Å; V273-R276 PolarHBondContact O-N 3.07Å; V273-I277 HydrophobicContact CG1-CD1 3.7Å; V273-I277 PolarHBondContact O-N 3.43Å; V273-V299 HydrophobicContact CG1-CB 4.37Å; V273-V299 HydrophobicContact CG1-CG1 4.33Å; V273-V299 HydrophobicContact CG1-CG2 3.82Å; V273-A302 HydrophobicContact CB-CB 4.35Å; V273-A302 HydrophobicContact CG2-CB 3.87Å; V273-L308 HydrophobicContact CG2-CD1 3.96Å
274N97.9Very high95.4Very high8 Ų862 Ų624%0.04330%0.296CS..Hα-helixtrans-54.8-49.3176.4-72.3-21.3000111.8Y265 T268 Y270 R276 I277 E278Y265-N274 HydrophobicContact CD1-CB 4.26Å; Y265-N274 VanDerWaalsContact CE1-OD1 3.23Å; Y265-N274 WeakPolarHBondContact CE1-OD1 3.25Å; T268-N274 WeakPolarHBondContact CB-OD1 3.47Å; T268-N274 PolarHBondContact N-OD1 2.66Å; T268-N274 PolarHBondContact O-ND2 3.36Å; T268-N274 PolarHBondContact O-OD1 3.27Å; T268-N274 PolarHBondContact OG1-OD1 2.9Å; Y270-N274 VanDerWaalsContact O-CG 3.32Å; Y270-N274 PolarHBondContact O-N 3.25Å; Y270-N274 PolarHBondContact O-ND2 3.31Å; N274-R276 PolarHBondContact O-N 3.17Å; N274-I277 PolarHBondContact O-N 3.32Å; N274-E278 WeakPolarHBondContact O-CB 3.22Å; N274-E278 PolarHBondContact O-N 2.83Å
275R97.6Very high94.1Very high147 Ų14761 Ų6156%0.55530%0.299SS*.Hα-helixtrans-65-20.6176.3-74.6166.2-179.3174.81.2113.5P271 E272 V273 R279P271-R275 VanDerWaalsContact O-CB 3.28Å; P271-R275 WeakPolarHBondContact O-CB 3.3Å; P271-R275 WeakPolarHBondContact O-CD 3.36Å; P271-R275 WeakPolarHBondContact O-CG 3.44Å; P271-R275 PolarHBondContact O-N 2.88Å; E272-R275 PolarHBondContact O-N 2.9Å; V273-R275 PolarHBondContact O-N 3.37Å; R275-R279 WeakPolarHBondContact O-CG 3.38Å; R275-R279 PolarHBondContact O-NE 2.71Å; R275-R279 PolarHBondContact O-NH2 3.27Å
276R96.9Very high92.5Very high83 Ų8366.5 Ų66.531%0.31333%0.329SS..Hα-helixtrans-82.5-46176-172.564.6-174.7-125.313.3111E272 V273 N274 R279 L280 A298 A302E272-R276 PolarHBondContact O-N 3.36Å; E272-R276 VanDerWaalsContact O-N 3.09Å; V273-R276 WeakPolarHBondContact O-CB 3.3Å; V273-R276 PolarHBondContact O-N 3.07Å; N274-R276 PolarHBondContact O-N 3.17Å; R276-R279 PolarHBondContact O-N 3Å; R276-L280 PolarHBondContact O-N 3.24Å; R276-L280 VanDerWaalsContact O-N 3.1Å; R276-A298 HydrophobicContact CG-CB 3.97Å; R276-A298 WeakPolarHBondContact CG-O 3.2Å; R276-A302 HydrophobicContact CB-CB 4.07Å; R276-A302 HydrophobicContact CG-CB 4.41Å
277I97.1Very high91.3Very high0 Ų067 Ų670%034%0.342CS..Hα-helixtrans-63.6-45174.5-63.9158.8000110.5Y265 V273 N274 R279 L280 I281 V299 A322 V326Y265-I277 HydrophobicContact CD1-CB 3.73Å; Y265-I277 HydrophobicContact CD1-CD1 4.1Å; Y265-I277 HydrophobicContact CD1-CG2 3.66Å; Y265-I277 HydrophobicContact CD2-CG2 4.02Å; Y265-I277 HydrophobicContact CE1-CB 4.02Å; Y265-I277 HydrophobicContact CE1-CD1 3.47Å; Y265-I277 VanDerWaalsContact CE1-CD1 3.47Å; Y265-I277 HydrophobicContact CE1-CG1 4.37Å; Y265-I277 HydrophobicContact CE1-CG2 3.98Å; Y265-I277 HydrophobicContact CE2-CG2 4.28Å; Y265-I277 HydrophobicContact CG-CB 4.25Å; Y265-I277 HydrophobicContact CG-CG2 3.7Å; V273-I277 HydrophobicContact CG1-CD1 3.7Å; V273-I277 PolarHBondContact O-N 3.43Å; N274-I277 PolarHBondContact O-N 3.32Å; I277-R279 PolarHBondContact O-N 2.98Å; I277-L280 WeakPolarHBondContact O-CB 3.36Å; I277-L280 PolarHBondContact O-N 3.44Å; I277-I281 HydrophobicContact CG2-CG2 4.24Å; I277-I281 WeakPolarHBondContact O-CG2 3.32Å; I277-I281 PolarHBondContact O-N 3.5Å; I277-I281 VanDerWaalsContact O-N 3.1Å; I277-V299 HydrophobicContact CD1-CG2 4.06Å; I277-A322 HydrophobicContact CD1-CB 3.79Å; I277-V326 HydrophobicContact CG2-CG2 3.56Å
278E96.8Very high90.4Very high10 Ų1065.8 Ų65.85%0.04733%0.325CS..Hα-helixtrans-59.7-19.9176.8-167.1-179.2-162.500113.5R262 R266 N274 N282R262-E278 IonicContact CZ-OE1 3.75Å; R262-E278 VanDerWaalsContact CZ-OE1 3.24Å; R262-E278 IonicContact NH1-OE1 3.25Å; R262-E278 PolarHBondContact NH1-OE1 2.94Å; R262-E278 IonicContact NH2-OE1 2.69Å; R262-E278 PolarHBondContact NH2-OE1 3.46Å; R262-E278 IonicContact NH2-OE2 3.4Å; R266-E278 IonicContact CZ-OE1 3.02Å; R266-E278 IonicContact CZ-OE2 3.88Å; R266-E278 VanDerWaalsContact NH1-CD 3.32Å; R266-E278 IonicContact NH1-OE1 3.33Å; R266-E278 IonicContact NH1-OE2 3.18Å; R266-E278 PolarHBondContact NH1-OE2 2.91Å; R266-E278 IonicContact NH2-OE1 3.62Å; R266-E278 PolarHBondContact NH2-OE1 3.47Å; R266-E278 IonicContact NH2-OE2 2.8Å; R266-E278 PolarHBondContact NH2-OE2 3.23Å; N274-E278 WeakPolarHBondContact O-CB 3.22Å; N274-E278 PolarHBondContact O-N 2.83Å; E278-N282 PolarHBondContact O-ND2 3.01Å
279R95.3Very high90.2Very high150 Ų15070.7 Ų70.757%0.56635%0.345SS*.Hα-helixtrans-92.7-26.6170.9-77.7178.3-69.2145.6-3.3113.7R275 R276 I277R275-R279 WeakPolarHBondContact O-CG 3.38Å; R275-R279 PolarHBondContact O-NE 2.71Å; R275-R279 PolarHBondContact O-NH2 3.27Å; R276-R279 PolarHBondContact O-N 3Å; I277-R279 PolarHBondContact O-N 2.98Å
280L95.3Very high90.2Very high17 Ų1762.9 Ų62.99%0.08932%0.316CS..Hα-helixtrans-67.2-45.3175.8174.760.9000111.1R276 I277 N282 T288 P290 D294 V295 A298R276-L280 PolarHBondContact O-N 3.24Å; R276-L280 VanDerWaalsContact O-N 3.1Å; I277-L280 WeakPolarHBondContact O-CB 3.36Å; I277-L280 PolarHBondContact O-N 3.44Å; L280-N282 VanDerWaalsContact C-N 3.33Å; L280-N282 PolarHBondContact O-N 3.48Å; L280-T288 VanDerWaalsContact O-CG2 3.24Å; L280-T288 WeakPolarHBondContact O-CG2 3.31Å; L280-P290 HydrophobicContact CD1-CB 4.25Å; L280-P290 HydrophobicContact CD2-CB 3.86Å; L280-P290 HydrophobicContact CD2-CG 4.24Å; L280-P290 HydrophobicContact CG-CB 4Å; L280-P290 HydrophobicContact CG-CG 4.25Å; L280-D294 HydrophobicContact CD2-CB 4.24Å; L280-V295 HydrophobicContact CD2-CG2 4.16Å; L280-A298 HydrophobicContact CD2-CB 4.02Å
281I95.1Very high90.2Very high1 Ų165.5 Ų65.51%0.00533%0.333CS..THydrogen-bonded Turntrans-83.6-8-172.873.1-176000114.2I263 I277 P290 V326 L330 R333I263-I281 HydrophobicContact CB-CD1 4.01Å; I263-I281 HydrophobicContact CG2-CD1 3.85Å; I277-I281 HydrophobicContact CG2-CG2 4.24Å; I277-I281 WeakPolarHBondContact O-CG2 3.32Å; I277-I281 PolarHBondContact O-N 3.5Å; I277-I281 VanDerWaalsContact O-N 3.1Å; I281-P290 HydrophobicContact CG2-CG 4.34Å; I281-V326 HydrophobicContact CB-CG1 4.39Å; I281-V326 HydrophobicContact CD1-CG2 4.29Å; I281-V326 HydrophobicContact CG2-CB 4.29Å; I281-V326 HydrophobicContact CG2-CG1 3.37Å; I281-V326 HydrophobicContact CG2-CG2 3.88Å; I281-L330 HydrophobicContact CB-CD2 4.49Å; I281-R333 PolarHBondContact O-NH2 3.42Å
282N94.4Very high90.2Very high38 Ų3866.3 Ų66.320%0.20333%0.329CS..THydrogen-bonded Turntrans-12631.2-179-60.9-63.2000111.6R262 I263 E278 L280 R333R262-N282 WeakPolarHBondContact CA-OD1 3.03Å; R262-N282 HydrophobicContact CG-CB 4.23Å; I263-N282 PolarHBondContact N-OD1 3.46Å; I263-N282 PolarHBondContact O-ND2 3.15Å; E278-N282 PolarHBondContact O-ND2 3.01Å; L280-N282 VanDerWaalsContact C-N 3.33Å; L280-N282 PolarHBondContact O-N 3.48Å; N282-R333 PolarHBondContact OD1-NH1 3.2Å
283K89.9Confident90.2Very high111 Ų11165.6 Ų65.648%0.48333%0.333SS..  trans-63.2146.5162-61.4171.8-174.4166.10108.6G285 T288K283-G285 PolarHBondContact O-N 3.12Å; K283-T288 HydrophobicContact CB-CG2 3.81Å; K283-T288 HydrophobicContact CD-CG2 4.26Å; K283-T288 HydrophobicContact CG-CG2 4.26Å; K283-T288 PolarHBondContact O-OG1 3.42Å
284P79.3Confident90.2Very high134 Ų13467.2 Ų67.287%0.8734%0.342SS*.SBendtrans-70.6125.1168.429.6-32.5000109.7
285G70.6Confident90.2Very high53 Ų5366.9 Ų66.955%0.54634%0.34SS..SBendtrans146.8138.7-179.500000111.4K283 D287 T288K283-G285 PolarHBondContact O-N 3.12Å; G285-D287 VanDerWaalsContact C-N 3.29Å; G285-D287 PolarHBondContact O-N 2.78Å; G285-T288 PolarHBondContact O-OG1 3.03Å
286L64.1Low90.2Very high120 Ų12060.9 Ų60.963%0.62832%0.319SS*.THydrogen-bonded Turntrans-62.7-37.5-177.5-74.4161.6000111.9I259 T288I259-L286 HydrophobicContact CD1-CD2 4.16Å; L286-T288 PolarHBondContact O-N 3.46Å
287D70.4Confident90.3Very high155 Ų15562.5 Ų62.583%0.82933%0.325SS*.THydrogen-bonded Turntrans-86.321.9-172.9-45-71000113.5G285 F289G285-D287 VanDerWaalsContact C-N 3.29Å; G285-D287 PolarHBondContact O-N 2.78Å; D287-F289 PolarHBondContact O-N 2.66Å
288T76.8Confident90.3Very high24 Ų2462.8 Ų62.815%0.14733%0.328CS..  trans-79.664.5179.9-50.30000111.6L280 K283 G285 L286L280-T288 VanDerWaalsContact O-CG2 3.24Å; L280-T288 WeakPolarHBondContact O-CG2 3.31Å; K283-T288 HydrophobicContact CB-CG2 3.81Å; K283-T288 HydrophobicContact CD-CG2 4.26Å; K283-T288 HydrophobicContact CG-CG2 4.26Å; K283-T288 PolarHBondContact O-OG1 3.42Å; G285-T288 PolarHBondContact O-OG1 3.03Å; L286-T288 PolarHBondContact O-N 3.46Å
289F92.8Very high90.3Very high113 Ų11362.3 Ų62.350%0.49633%0.325SS..  trans-115.6104.1167.6-159.8-75000109.2D287 L330D287-F289 PolarHBondContact O-N 2.66Å; F289-L330 HydrophobicContact CD2-CB 3.86Å; F289-L330 HydrophobicContact CD2-CD1 4.01Å; F289-L330 HydrophobicContact CE2-CB 3.62Å; F289-L330 HydrophobicContact CE2-CD1 4.18Å; F289-L330 HydrophobicContact CG-CD1 4.4Å
290P95.1Very high90.4Very high5 Ų557.6 Ų57.63%0.03231%0.31CS..  trans-75147.4-178.131.5-33.6000111.4L280 I281 D294 V295 V326 L330L280-P290 HydrophobicContact CD1-CB 4.25Å; L280-P290 HydrophobicContact CD2-CB 3.86Å; L280-P290 HydrophobicContact CD2-CG 4.24Å; L280-P290 HydrophobicContact CG-CB 4Å; L280-P290 HydrophobicContact CG-CG 4.25Å; I281-P290 HydrophobicContact CG2-CG 4.34Å; P290-D294 HydrophobicContact CB-CB 3.64Å; P290-V295 HydrophobicContact CB-CG2 4.34Å; P290-V295 HydrophobicContact CG-CG2 4.26Å; P290-V326 HydrophobicContact CG-CG1 4.17Å; P290-L330 HydrophobicContact CG-CD1 4.32Å
291D96.1Very high90.5Very high96 Ų9662.1 Ų62.151%0.51333%0.329SS..  trans-80.9179.8166.171.529.6000112.1G293 D294 V295 F323D291-G293 VanDerWaalsContact C-N 3.33Å; D291-G293 PolarHBondContact O-N 3.16Å; D291-G293 WeakPolarHBondContact OD1-CA 3.37Å; D291-G293 PolarHBondContact OD1-N 3.43Å; D291-D294 WeakPolarHBondContact O-CB 3.44Å; D291-D294 PolarHBondContact O-N 2.95Å; D291-D294 PolarHBondContact OD1-N 3.48Å; D291-V295 PolarHBondContact O-N 2.85Å; D291-F323 VanDerWaalsContact C-CE2 3.49Å
292Y98Very high90.6Very high81 Ų8162.2 Ų62.232%0.31833%0.33SS..Hα-helixtrans-63.7-36.1176.3167.3-107.8000112.8V295 L296 A319 Q320 F323Y292-V295 PolarHBondContact O-N 2.97Å; Y292-L296 HydrophobicContact CE1-CD2 4.21Å; Y292-L296 WeakPolarHBondContact O-CB 3.4Å; Y292-L296 PolarHBondContact O-N 3.21Å; Y292-A319 HydrophobicContact CE2-CB 3.97Å; Y292-Q320 HydrophobicContact CE2-CB 4.11Å; Y292-F323 HydrophobicContact CD2-CB 4.26Å; Y292-F323 HydrophobicContact CD2-CD1 4.45Å; Y292-F323 HydrophobicContact CD2-CG 4.4Å
293G97.6Very high90.7Very high31 Ų3160.8 Ų60.832%0.3232%0.323SS..Hα-helixtrans-67.1-34.2177.400000112.8D291 R297D291-G293 VanDerWaalsContact C-N 3.33Å; D291-G293 PolarHBondContact O-N 3.16Å; D291-G293 WeakPolarHBondContact OD1-CA 3.37Å; D291-G293 PolarHBondContact OD1-N 3.43Å; G293-R297 VanDerWaalsContact C-NH1 3.28Å; G293-R297 WeakPolarHBondContact O-CB 3.36Å; G293-R297 PolarHBondContact O-N 2.84Å; G293-R297 PolarHBondContact O-NH1 3.02Å
294D96.8Very high91Very high35 Ų3560.3 Ų60.319%0.18733%0.33CS..Hα-helixtrans-63.8-44.2170.9-9917.1000112.2L280 P290 D291 R297 A298L280-D294 HydrophobicContact CD2-CB 4.24Å; P290-D294 HydrophobicContact CB-CB 3.64Å; D291-D294 WeakPolarHBondContact O-CB 3.44Å; D291-D294 PolarHBondContact O-N 2.95Å; D291-D294 PolarHBondContact OD1-N 3.48Å; D294-R297 VanDerWaalsContact CA-NH1 3.28Å; D294-R297 IonicContact OD1-CZ 3.24Å; D294-R297 IonicContact OD1-NH1 2.88Å; D294-R297 PolarHBondContact OD1-NH1 3.4Å; D294-R297 IonicContact OD1-NH2 3.57Å; D294-R297 PolarHBondContact OD1-NH2 2.95Å; D294-A298 VanDerWaalsContact O-CB 3.23Å; D294-A298 WeakPolarHBondContact O-CB 3.38Å; D294-A298 PolarHBondContact O-N 3.03Å
295V98Very high91.9Very high0 Ų063 Ų630%032%0.323CS..Hα-helixtrans-70-43.8176.5179.40000111.1L280 P290 D291 Y292 A298 V299 A319 A322 F323L280-V295 HydrophobicContact CD2-CG2 4.16Å; P290-V295 HydrophobicContact CB-CG2 4.34Å; P290-V295 HydrophobicContact CG-CG2 4.26Å; D291-V295 PolarHBondContact O-N 2.85Å; Y292-V295 PolarHBondContact O-N 2.97Å; V295-A298 WeakPolarHBondContact O-CB 3.45Å; V295-A298 PolarHBondContact O-N 2.84Å; V295-V299 HydrophobicContact CG1-CG2 4.48Å; V295-V299 WeakPolarHBondContact O-CG2 3.43Å; V295-V299 PolarHBondContact O-N 3.12Å; V295-A319 HydrophobicContact CG1-CB 4.45Å; V295-A319 WeakPolarHBondContact CG1-O 3.48Å; V295-A322 HydrophobicContact CG1-CB 3.71Å; V295-F323 HydrophobicContact CB-CB 4.16Å; V295-F323 HydrophobicContact CG1-CB 4.2Å; V295-F323 HydrophobicContact CG2-CB 4.16Å; V295-F323 HydrophobicContact CG2-CD2 4.07Å
296L98.3Very high93.1Very high21 Ų2164.9 Ų64.911%0.1132%0.317CS..Hα-helixtrans-59.1-50.8174.8179.161000111.4Y292 A298 V299 E300 Q316 A319Y292-L296 HydrophobicContact CE1-CD2 4.21Å; Y292-L296 WeakPolarHBondContact O-CB 3.4Å; Y292-L296 PolarHBondContact O-N 3.21Å; L296-A298 PolarHBondContact O-N 3.37Å; L296-V299 PolarHBondContact O-N 3.06Å; L296-E300 HydrophobicContact CD1-CG 4.01Å; L296-E300 HydrophobicContact CG-CG 4.34Å; L296-E300 WeakPolarHBondContact O-CB 3.42Å; L296-E300 WeakPolarHBondContact O-CG 3.42Å; L296-E300 PolarHBondContact O-N 3.34Å; L296-Q316 HydrophobicContact CD1-CG 4.15Å; L296-A319 HydrophobicContact CB-CB 3.88Å; L296-A319 HydrophobicContact CD1-CB 3.71Å; L296-A319 HydrophobicContact CG-CB 4.42Å
297R97.9Very high94.6Very high117 Ų11764.3 Ų64.344%0.44232%0.323SS..Hα-helixtrans-63.4-24.4177.5-166.2159.783.2-86.94.8112.4G293 D294 K301G293-R297 VanDerWaalsContact C-NH1 3.28Å; G293-R297 WeakPolarHBondContact O-CB 3.36Å; G293-R297 PolarHBondContact O-N 2.84Å; G293-R297 PolarHBondContact O-NH1 3.02Å; D294-R297 VanDerWaalsContact CA-NH1 3.28Å; D294-R297 IonicContact OD1-CZ 3.24Å; D294-R297 IonicContact OD1-NH1 2.88Å; D294-R297 PolarHBondContact OD1-NH1 3.4Å; D294-R297 IonicContact OD1-NH2 3.57Å; D294-R297 PolarHBondContact OD1-NH2 2.95Å; R297-K301 HydrophobicContact CG-CD 4.2Å; R297-K301 WeakPolarHBondContact O-CB 3.39Å; R297-K301 WeakPolarHBondContact O-CG 3.49Å; R297-K301 PolarHBondContact O-N 3.25Å
298A97.1Very high95.7Very high6 Ų658.8 Ų58.85%0.0529%0.293CS..Hα-helixtrans-77.6-40170.100000113.1R276 L280 D294 V295 L296 A302R276-A298 HydrophobicContact CG-CB 3.97Å; R276-A298 WeakPolarHBondContact CG-O 3.2Å; L280-A298 HydrophobicContact CD2-CB 4.02Å; D294-A298 VanDerWaalsContact O-CB 3.23Å; D294-A298 WeakPolarHBondContact O-CB 3.38Å; D294-A298 PolarHBondContact O-N 3.03Å; V295-A298 WeakPolarHBondContact O-CB 3.45Å; V295-A298 PolarHBondContact O-N 2.84Å; L296-A298 PolarHBondContact O-N 3.37Å; A298-A302 WeakPolarHBondContact O-CB 3.28Å; A298-A302 PolarHBondContact O-N 3.21Å
299V97.9Very high96.5Very high0 Ų061.4 Ų61.40%033%0.325CS..Hα-helixtrans-65.9-50.1175.2171.70000110.6V273 I277 V295 L296 A302 A303 L315 L318 A319V273-V299 HydrophobicContact CG1-CB 4.37Å; V273-V299 HydrophobicContact CG1-CG1 4.33Å; V273-V299 HydrophobicContact CG1-CG2 3.82Å; I277-V299 HydrophobicContact CD1-CG2 4.06Å; V295-V299 HydrophobicContact CG1-CG2 4.48Å; V295-V299 WeakPolarHBondContact O-CG2 3.43Å; V295-V299 PolarHBondContact O-N 3.12Å; L296-V299 PolarHBondContact O-N 3.06Å; V299-A302 PolarHBondContact O-N 3.42Å; V299-A302 VanDerWaalsContact O-N 3.15Å; V299-A303 WeakPolarHBondContact O-CB 3.38Å; V299-A303 PolarHBondContact O-N 3.33Å; V299-L315 HydrophobicContact CG1-CB 4.44Å; V299-L315 HydrophobicContact CG1-CD2 3.77Å; V299-L318 HydrophobicContact CG1-CB 4.31Å; V299-A319 HydrophobicContact CB-CB 4.41Å; V299-A319 HydrophobicContact CG2-CB 4.12Å
300E97.3Very high96.5Very high52 Ų5257.1 Ų57.124%0.24331%0.307CS..Hα-helixtrans-59.8-50.3178-69.3176150.300111.6L296 A302 A303 T304 R312 L315L296-E300 HydrophobicContact CD1-CG 4.01Å; L296-E300 HydrophobicContact CG-CG 4.34Å; L296-E300 WeakPolarHBondContact O-CB 3.42Å; L296-E300 WeakPolarHBondContact O-CG 3.42Å; L296-E300 PolarHBondContact O-N 3.34Å; E300-A302 PolarHBondContact O-N 3.08Å; E300-A302 VanDerWaalsContact O-N 3.14Å; E300-A303 PolarHBondContact O-N 2.7Å; E300-A303 VanDerWaalsContact O-N 3.09Å; E300-T304 PolarHBondContact O-N 3.44Å; E300-T304 PolarHBondContact O-OG1 3.31Å; E300-T304 VanDerWaalsContact O-OG1 3.1Å; E300-R312 IonicContact OE1-NH1 2.7Å; E300-R312 PolarHBondContact OE1-NH1 2.69Å; E300-L315 HydrophobicContact CG-CB 4.46Å; E300-L315 HydrophobicContact CG-CD1 4.33Å
301K97.1Very high96.5Very high111 Ų11160.8 Ų60.848%0.48333%0.331SS..Hα-helixtrans-69.2-7.6177.6-67.6-178.6179.6-171.50114.4R297 R305R297-K301 HydrophobicContact CG-CD 4.2Å; R297-K301 WeakPolarHBondContact O-CB 3.39Å; R297-K301 WeakPolarHBondContact O-CG 3.49Å; R297-K301 PolarHBondContact O-N 3.25Å; K301-R305 WeakPolarHBondContact O-CB 3.46Å
302A97.3Very high96.5Very high4 Ų463.7 Ų63.73%0.03333%0.334CS..Hα-helixtrans-92-42.7166.200000111.2V273 R276 A298 V299 E300 H306V273-A302 HydrophobicContact CB-CB 4.35Å; V273-A302 HydrophobicContact CG2-CB 3.87Å; R276-A302 HydrophobicContact CB-CB 4.07Å; R276-A302 HydrophobicContact CG-CB 4.41Å; A298-A302 WeakPolarHBondContact O-CB 3.28Å; A298-A302 PolarHBondContact O-N 3.21Å; V299-A302 PolarHBondContact O-N 3.42Å; V299-A302 VanDerWaalsContact O-N 3.15Å; E300-A302 PolarHBondContact O-N 3.08Å; E300-A302 VanDerWaalsContact O-N 3.14Å; A302-H306 WeakPolarHBondContact O-CB 3.41Å; A302-H306 PolarHBondContact O-CD2 3.3Å; A302-H306 PolarHBondContact O-N 3.42Å; A302-H306 VanDerWaalsContact O-N 3.1Å
303A96.7Very high96.5Very high7 Ų767 Ų676%0.05835%0.353CS..Hα-helixtrans-66.1-39.9-179.500000113.7V299 E300 S307 L308 L310 L315V299-A303 WeakPolarHBondContact O-CB 3.38Å; V299-A303 PolarHBondContact O-N 3.33Å; E300-A303 PolarHBondContact O-N 2.7Å; E300-A303 VanDerWaalsContact O-N 3.09Å; A303-S307 WeakPolarHBondContact O-CA 3.03Å; A303-S307 PolarHBondContact O-N 3.01Å; A303-L308 HydrophobicContact CB-CB 4.31Å; A303-L308 HydrophobicContact CB-CD1 4.32Å; A303-L308 PolarHBondContact O-N 3.2Å; A303-L310 HydrophobicContact CB-CD1 4.37Å; A303-L315 HydrophobicContact CB-CD2 3.46Å; A303-L315 VanDerWaalsContact CB-CD2 3.46Å
304T96.5Very high96.4Very high101 Ų10169 Ų6962%0.6235%0.354SS*.THydrogen-bonded Turntrans-68.3-51.8175.454.20000111.3E300 H306 S307E300-T304 PolarHBondContact O-N 3.44Å; E300-T304 PolarHBondContact O-OG1 3.31Å; E300-T304 VanDerWaalsContact O-OG1 3.1Å; T304-H306 PolarHBondContact O-N 3.25Å; T304-H306 VanDerWaalsContact O-N 3.16Å; T304-S307 PolarHBondContact O-N 2.71Å
305R97.1Very high96.4Very high191 Ų19168.1 Ų68.172%0.72135%0.349SS*.THydrogen-bonded Turntrans-57.4-30.3-179.9179.2175.8174.7127.83.1113.9K301K301-R305 WeakPolarHBondContact O-CB 3.46Å
306H96.4Very high96.4Very high92 Ų9271 Ų7143%0.42636%0.362SS..THydrogen-bonded Turntrans-110.814.5-179.9-66-84.6000113.1E272 A302 T304 L308E272-H306 HydrophobicContact CB-CB 4.33Å; E272-H306 HydrophobicContact CG-CB 3.98Å; A302-H306 WeakPolarHBondContact O-CB 3.41Å; A302-H306 PolarHBondContact O-CD2 3.3Å; A302-H306 PolarHBondContact O-N 3.42Å; A302-H306 VanDerWaalsContact O-N 3.1Å; T304-H306 PolarHBondContact O-N 3.25Å; T304-H306 VanDerWaalsContact O-N 3.16Å; H306-L308 HydrophobicContact CB-CD2 4.11Å; H306-L308 HydrophobicContact CB-CG 4.14Å; H306-L308 PolarHBondContact O-N 2.83Å; H306-L308 VanDerWaalsContact O-N 3.14Å
307S95.6Very high96.3Very high108 Ų10874.9 Ų74.976%0.75538%0.383SS*.THydrogen-bonded Turntrans49.240.2174.3-51.50000114.3A303 T304 G309A303-S307 WeakPolarHBondContact O-CA 3.03Å; A303-S307 PolarHBondContact O-N 3.01Å; T304-S307 PolarHBondContact O-N 2.71Å; S307-G309 PolarHBondContact O-N 3.38Å; S307-G309 VanDerWaalsContact O-N 3.09Å
308L93.6Very high96.3Very high40 Ų4071 Ų7121%0.20937%0.37CS..  trans-70.5-5.8-170.6-61.5-176.2000114.6Y270 V273 A303 H306 L310Y270-L308 HydrophobicContact CD1-CD1 3.8Å; Y270-L308 HydrophobicContact CD1-CD2 4.18Å; Y270-L308 HydrophobicContact CE1-CD1 4.4Å; Y270-L308 HydrophobicContact CG-CD1 3.98Å; V273-L308 HydrophobicContact CG2-CD1 3.96Å; A303-L308 HydrophobicContact CB-CB 4.31Å; A303-L308 HydrophobicContact CB-CD1 4.32Å; A303-L308 PolarHBondContact O-N 3.2Å; H306-L308 HydrophobicContact CB-CD2 4.11Å; H306-L308 HydrophobicContact CB-CG 4.14Å; H306-L308 PolarHBondContact O-N 2.83Å; H306-L308 VanDerWaalsContact O-N 3.14Å; L308-L310 VanDerWaalsContact C-N 3.26Å; L308-L310 HydrophobicContact CB-CD1 4.12Å; L308-L310 HydrophobicContact CB-CD2 4.46Å; L308-L310 HydrophobicContact CB-CG 3.87Å; L308-L310 HydrophobicContact CD1-CD1 4.36Å; L308-L310 WeakPolarHBondContact O-CD2 3.04Å; L308-L310 PolarHBondContact O-N 3.27Å
309G92.8Very high96.3Very high78 Ų7870.7 Ų70.780%0.80437%0.368SS*.  trans6521.9173.600000115.5S307S307-G309 PolarHBondContact O-N 3.38Å; S307-G309 VanDerWaalsContact O-N 3.09Å
310L93.4Very high96.3Very high24 Ų2475.2 Ų75.213%0.12639%0.389CS..  trans-84.7131.4-173-51.4-179.3000111.4Y270 A303 L308 L315 L318Y270-L310 HydrophobicContact CD2-CD1 4.24Å; Y270-L310 HydrophobicContact CE1-CD2 4.48Å; Y270-L310 HydrophobicContact CE2-CD1 3.84Å; Y270-L310 HydrophobicContact CE2-CD2 4.12Å; Y270-L310 VanDerWaalsContact OH-CD2 3.31Å; Y270-L310 WeakPolarHBondContact OH-CD2 3.33Å; A303-L310 HydrophobicContact CB-CD1 4.37Å; L308-L310 VanDerWaalsContact C-N 3.26Å; L308-L310 HydrophobicContact CB-CD1 4.12Å; L308-L310 HydrophobicContact CB-CD2 4.46Å; L308-L310 HydrophobicContact CB-CG 3.87Å; L308-L310 HydrophobicContact CD1-CD1 4.36Å; L308-L310 WeakPolarHBondContact O-CD2 3.04Å; L308-L310 PolarHBondContact O-N 3.27Å; L310-L315 HydrophobicContact CB-CD1 4.48Å; L310-L315 HydrophobicContact CB-CD2 3.8Å; L310-L315 HydrophobicContact CB-CG 3.92Å; L310-L315 HydrophobicContact CD1-CD2 3.83Å; L310-L315 HydrophobicContact CG-CD2 4.39Å; L310-L318 HydrophobicContact CD1-CD1 3.94Å
311P95.9Very high96.4Very high81 Ų8177 Ų7753%0.52640%0.4SS..  trans-70.8152.3175.329.5-34.5000111.4Q313 Q314 L315P311-Q313 VanDerWaalsContact C-N 3.3Å; P311-Q313 PolarHBondContact O-N 2.96Å; P311-Q314 HydrophobicContact CG-CB 3.91Å; P311-Q314 WeakPolarHBondContact O-CA 3.35Å; P311-Q314 WeakPolarHBondContact O-CB 3.29Å; P311-Q314 PolarHBondContact O-N 3.34Å; P311-L315 PolarHBondContact O-N 2.92Å
312R95.9Very high96.4Very high157 Ų15771.7 Ų71.759%0.59238%0.378SS*.Hα-helixtrans-50.6-43.1-175.9-179.2166.1168.577.2-11.6114E300 Q314 L315 Q316E300-R312 IonicContact OE1-NH1 2.7Å; E300-R312 PolarHBondContact OE1-NH1 2.69Å; R312-Q314 VanDerWaalsContact C-N 3.32Å; R312-Q314 PolarHBondContact O-N 2.78Å; R312-L315 WeakPolarHBondContact O-CB 3.46Å; R312-L315 PolarHBondContact O-N 3.07Å; R312-Q316 WeakPolarHBondContact O-CG 3.24Å; R312-Q316 PolarHBondContact O-N 3.38Å
313Q96.8Very high96.5Very high152 Ų15274.7 Ų74.771%0.7139%0.39SS*.Hα-helixtrans-60.3-38.5176.1-67.7176.1-10.300112.9P311 Q316 L317P311-Q313 VanDerWaalsContact C-N 3.3Å; P311-Q313 PolarHBondContact O-N 2.96Å; Q313-Q316 PolarHBondContact O-N 3.45Å; Q313-L317 WeakPolarHBondContact O-CG 3.2Å; Q313-L317 PolarHBondContact O-N 3.38Å
314Q96.1Very high96.5Very high71 Ų7181.5 Ų81.533%0.33241%0.414SS..Hα-helixtrans-74-32.3176.9-178.3159.373.900112P311 R312 L318P311-Q314 HydrophobicContact CG-CB 3.91Å; P311-Q314 WeakPolarHBondContact O-CA 3.35Å; P311-Q314 WeakPolarHBondContact O-CB 3.29Å; P311-Q314 PolarHBondContact O-N 3.34Å; R312-Q314 VanDerWaalsContact C-N 3.32Å; R312-Q314 PolarHBondContact O-N 2.78Å; Q314-L318 HydrophobicContact CG-CD1 4.09Å; Q314-L318 HydrophobicContact CG-CG 4.49Å; Q314-L318 VanDerWaalsContact O-CB 3.32Å; Q314-L318 WeakPolarHBondContact O-CB 3.39Å; Q314-L318 WeakPolarHBondContact O-CD1 3.38Å; Q314-L318 WeakPolarHBondContact O-CG 3.35Å; Q314-L318 PolarHBondContact O-N 3.02Å
315L96.6Very high96.6Very high18 Ų1878.9 Ų78.99%0.09440%0.397CS..Hα-helixtrans-65.3-41.8172-66.7167.3000111.4V299 E300 A303 L310 P311 R312 A319V299-L315 HydrophobicContact CG1-CB 4.44Å; V299-L315 HydrophobicContact CG1-CD2 3.77Å; E300-L315 HydrophobicContact CG-CB 4.46Å; E300-L315 HydrophobicContact CG-CD1 4.33Å; A303-L315 HydrophobicContact CB-CD2 3.46Å; A303-L315 VanDerWaalsContact CB-CD2 3.46Å; L310-L315 HydrophobicContact CB-CD1 4.48Å; L310-L315 HydrophobicContact CB-CD2 3.8Å; L310-L315 HydrophobicContact CB-CG 3.92Å; L310-L315 HydrophobicContact CD1-CD2 3.83Å; L310-L315 HydrophobicContact CG-CD2 4.39Å; P311-L315 PolarHBondContact O-N 2.92Å; R312-L315 WeakPolarHBondContact O-CB 3.46Å; R312-L315 PolarHBondContact O-N 3.07Å; L315-A319 VanDerWaalsContact O-CB 3.29Å; L315-A319 WeakPolarHBondContact O-CB 3.2Å; L315-A319 PolarHBondContact O-N 3.38Å
316Q97.6Very high96.5Very high59 Ų5969.9 Ų69.928%0.27636%0.363SS..Hα-helixtrans-63.6-48.3175.8-72.1168.2-38.200112.2L296 R312 Q313 L318 A319 Q320L296-Q316 HydrophobicContact CD1-CG 4.15Å; R312-Q316 WeakPolarHBondContact O-CG 3.24Å; R312-Q316 PolarHBondContact O-N 3.38Å; Q313-Q316 PolarHBondContact O-N 3.45Å; Q316-L318 PolarHBondContact O-N 3.39Å; Q316-A319 WeakPolarHBondContact O-CB 3.19Å; Q316-A319 PolarHBondContact O-N 3.01Å; Q316-A319 VanDerWaalsContact O-N 3.16Å; Q316-Q320 WeakPolarHBondContact O-CB 3.34Å; Q316-Q320 PolarHBondContact O-N 3.42Å
317L97.4Very high96.5Very high104 Ų10466 Ų6655%0.54535%0.348SS..Hα-helixtrans-60.8-45.7175.9-70.5170000112.1Q313 A319 Q320 D321Q313-L317 WeakPolarHBondContact O-CG 3.2Å; Q313-L317 PolarHBondContact O-N 3.38Å; L317-A319 VanDerWaalsContact C-N 3.26Å; L317-A319 PolarHBondContact O-N 3.22Å; L317-Q320 PolarHBondContact O-N 2.97Å; L317-D321 PolarHBondContact O-N 3.3Å; L317-D321 VanDerWaalsContact O-N 3.09Å
318L96.7Very high96.6Very high34 Ų3464.1 Ų64.118%0.17833%0.332CS..Hα-helixtrans-60.4-35.8175-75.9169.3000112.4T268 Y270 V299 L310 Q314 Q316 A322T268-L318 HydrophobicContact CG2-CD2 4.11Å; Y270-L318 HydrophobicContact CD2-CD1 4.29Å; Y270-L318 HydrophobicContact CE2-CD1 4.17Å; V299-L318 HydrophobicContact CG1-CB 4.31Å; L310-L318 HydrophobicContact CD1-CD1 3.94Å; Q314-L318 HydrophobicContact CG-CD1 4.09Å; Q314-L318 HydrophobicContact CG-CG 4.49Å; Q314-L318 VanDerWaalsContact O-CB 3.32Å; Q314-L318 WeakPolarHBondContact O-CB 3.39Å; Q314-L318 WeakPolarHBondContact O-CD1 3.38Å; Q314-L318 WeakPolarHBondContact O-CG 3.35Å; Q314-L318 PolarHBondContact O-N 3.02Å; Q316-L318 PolarHBondContact O-N 3.39Å; L318-A322 WeakPolarHBondContact O-CB 3.37Å; L318-A322 PolarHBondContact O-N 3.22Å; L318-A322 VanDerWaalsContact O-N 3.1Å
319A98Very high96.7Very high0 Ų065.8 Ų65.80%034%0.335CS..Hα-helixtrans-72.4-38.3176.300000112.8Y292 V295 L296 V299 L315 Q316 L317 A322 F323Y292-A319 HydrophobicContact CE2-CB 3.97Å; V295-A319 HydrophobicContact CG1-CB 4.45Å; V295-A319 WeakPolarHBondContact CG1-O 3.48Å; L296-A319 HydrophobicContact CB-CB 3.88Å; L296-A319 HydrophobicContact CD1-CB 3.71Å; L296-A319 HydrophobicContact CG-CB 4.42Å; V299-A319 HydrophobicContact CB-CB 4.41Å; V299-A319 HydrophobicContact CG2-CB 4.12Å; L315-A319 VanDerWaalsContact O-CB 3.29Å; L315-A319 WeakPolarHBondContact O-CB 3.2Å; L315-A319 PolarHBondContact O-N 3.38Å; Q316-A319 WeakPolarHBondContact O-CB 3.19Å; Q316-A319 PolarHBondContact O-N 3.01Å; Q316-A319 VanDerWaalsContact O-N 3.16Å; L317-A319 VanDerWaalsContact C-N 3.26Å; L317-A319 PolarHBondContact O-N 3.22Å; A319-A322 PolarHBondContact O-N 3.13Å; A319-F323 WeakPolarHBondContact O-CB 2.94Å; A319-F323 PolarHBondContact O-N 2.98Å
320Q98.2Very high96.9Very high95 Ų9562.5 Ų62.544%0.44430%0.299SS..Hα-helixtrans-67.4-45.9-179.3-167.5177.323.600111.3Y292 Q316 L317 F323 R324Y292-Q320 HydrophobicContact CE2-CB 4.11Å; Q316-Q320 WeakPolarHBondContact O-CB 3.34Å; Q316-Q320 PolarHBondContact O-N 3.42Å; L317-Q320 PolarHBondContact O-N 2.97Å; Q320-F323 PolarHBondContact O-N 3.45Å; Q320-R324 PolarHBondContact O-N 2.98Å
321D97.9Very high97Very high89 Ų8966.8 Ų66.848%0.47632%0.318SS..Hα-helixtrans-70.2-36175.6-72.9-27.4000112.3L317 R324 D325L317-D321 PolarHBondContact O-N 3.3Å; L317-D321 VanDerWaalsContact O-N 3.09Å; D321-R324 PolarHBondContact O-N 3.21Å; D321-R324 IonicContact OD1-CZ 2.6Å; D321-R324 IonicContact OD1-NE 3.77Å; D321-R324 IonicContact OD1-NH2 2.66Å; D321-R324 PolarHBondContact OD1-NH2 3.38Å; D321-D325 WeakPolarHBondContact O-CB 3.47Å; D321-D325 PolarHBondContact O-N 3.41Å
322A98Very high97Very high1 Ų168 Ų681%0.00832%0.317CS..Hα-helixtrans-62.5-42.5171.800000112.6Y265 I277 V295 L318 A319 V326Y265-A322 WeakPolarHBondContact OH-CA 3.04Å; Y265-A322 VanDerWaalsContact OH-CB 3.27Å; Y265-A322 WeakPolarHBondContact OH-CB 3.5Å; I277-A322 HydrophobicContact CD1-CB 3.79Å; V295-A322 HydrophobicContact CG1-CB 3.71Å; L318-A322 WeakPolarHBondContact O-CB 3.37Å; L318-A322 PolarHBondContact O-N 3.22Å; L318-A322 VanDerWaalsContact O-N 3.1Å; A319-A322 PolarHBondContact O-N 3.13Å; A322-V326 WeakPolarHBondContact O-CB 3.47Å; A322-V326 WeakPolarHBondContact O-CG2 3.23Å; A322-V326 PolarHBondContact O-N 2.81Å
323F98.4Very high97Very high67 Ų6762 Ų6229%0.29430%0.295SS..Hα-helixtrans-63.3-44.4178.2171.3-110.3000111.1D291 Y292 V295 A319 Q320 V326 G327D291-F323 VanDerWaalsContact C-CE2 3.49Å; Y292-F323 HydrophobicContact CD2-CB 4.26Å; Y292-F323 HydrophobicContact CD2-CD1 4.45Å; Y292-F323 HydrophobicContact CD2-CG 4.4Å; V295-F323 HydrophobicContact CB-CB 4.16Å; V295-F323 HydrophobicContact CG1-CB 4.2Å; V295-F323 HydrophobicContact CG2-CB 4.16Å; V295-F323 HydrophobicContact CG2-CD2 4.07Å; A319-F323 WeakPolarHBondContact O-CB 2.94Å; A319-F323 PolarHBondContact O-N 2.98Å; Q320-F323 PolarHBondContact O-N 3.45Å; F323-V326 PolarHBondContact O-N 2.85Å; F323-G327 PolarHBondContact O-N 2.93Å
324R98.1Very high96.9Very high150 Ų15062.7 Ų62.757%0.56629%0.291SS*.Hα-helixtrans-59.1-53.3175.7-154.6-162.6-40.4-103.74.1112Q320 D321 V326 G327 V328Q320-R324 PolarHBondContact O-N 2.98Å; D321-R324 PolarHBondContact O-N 3.21Å; D321-R324 IonicContact OD1-CZ 2.6Å; D321-R324 IonicContact OD1-NE 3.77Å; D321-R324 IonicContact OD1-NH2 2.66Å; D321-R324 PolarHBondContact OD1-NH2 3.38Å; R324-V326 VanDerWaalsContact C-N 3.34Å; R324-V326 PolarHBondContact O-N 3.26Å; R324-G327 PolarHBondContact O-N 2.6Å; R324-V328 WeakPolarHBondContact O-CG2 3.34Å; R324-V328 PolarHBondContact O-N 2.83Å
325D97.6Very high96.9Very high46 Ų4662.9 Ų62.925%0.24629%0.291CS..Hα-helixtrans-63.7-36.7-179.6-179.140.2000112.6Y265 D321 R329Y265-D325 HydrophobicContact CE2-CB 4.33Å; Y265-D325 WeakPolarHBondContact CE2-OD2 3.47Å; D321-D325 WeakPolarHBondContact O-CB 3.47Å; D321-D325 PolarHBondContact O-N 3.41Å; D325-R329 WeakPolarHBondContact O-CD 3.39Å; D325-R329 WeakPolarHBondContact O-CG 3.11Å; D325-R329 PolarHBondContact O-N 3.47Å; D325-R329 PolarHBondContact O-NE 2.83Å; D325-R329 IonicContact OD1-CZ 3.72Å; D325-R329 IonicContact OD1-NE 3.77Å; D325-R329 PolarHBondContact OD1-NE 3.16Å; D325-R329 IonicContact OD1-NH2 3.64Å; D325-R329 PolarHBondContact OD1-NH2 3.35Å; D325-R329 IonicContact OD2-CZ 2.73Å; D325-R329 IonicContact OD2-NE 2.72Å; D325-R329 IonicContact OD2-NH2 3.24Å; D325-R329 PolarHBondContact OD2-NH2 3.13Å
326V96.6Very high96.9Very high1 Ų165.1 Ų65.11%0.00630%0.303CS..Hα-helixtrans-69.9-46.1174158.90000112.1Y265 I277 I281 P290 A322 F323 R324 V328 R329 L330Y265-V326 HydrophobicContact CD2-CG2 3.72Å; Y265-V326 HydrophobicContact CE2-CG2 3.91Å; I277-V326 HydrophobicContact CG2-CG2 3.56Å; I281-V326 HydrophobicContact CB-CG1 4.39Å; I281-V326 HydrophobicContact CD1-CG2 4.29Å; I281-V326 HydrophobicContact CG2-CB 4.29Å; I281-V326 HydrophobicContact CG2-CG1 3.37Å; I281-V326 HydrophobicContact CG2-CG2 3.88Å; P290-V326 HydrophobicContact CG-CG1 4.17Å; A322-V326 WeakPolarHBondContact O-CB 3.47Å; A322-V326 WeakPolarHBondContact O-CG2 3.23Å; A322-V326 PolarHBondContact O-N 2.81Å; F323-V326 PolarHBondContact O-N 2.85Å; R324-V326 VanDerWaalsContact C-N 3.34Å; R324-V326 PolarHBondContact O-N 3.26Å; V326-V328 PolarHBondContact O-N 3.49Å; V326-R329 PolarHBondContact O-N 2.9Å; V326-L330 HydrophobicContact CG1-CD1 3.54Å; V326-L330 HydrophobicContact CG1-CG 4.22Å; V326-L330 WeakPolarHBondContact O-CB 3.37Å; V326-L330 WeakPolarHBondContact O-CG 3.36Å; V326-L330 PolarHBondContact O-N 2.91Å
327G96.4Very high96.8Very high12 Ų1262.9 Ų62.912%0.12429%0.293CS..Hα-helixtrans-60.5-45.8-175.400000112F323 R324 L330 Q331F323-G327 PolarHBondContact O-N 2.93Å; R324-G327 PolarHBondContact O-N 2.6Å; G327-L330 PolarHBondContact O-N 2.9Å; G327-Q331 WeakPolarHBondContact O-CB 3.44Å; G327-Q331 PolarHBondContact O-N 3.01Å
328V97Very high96.7Very high68 Ų6862.8 Ų62.841%0.41229%0.292SS..Hα-helixtrans-58.1-52.8174.3174.20000110.7R324 V326 L330 Q331 E332R324-V328 WeakPolarHBondContact O-CG2 3.34Å; R324-V328 PolarHBondContact O-N 2.83Å; V326-V328 PolarHBondContact O-N 3.49Å; V328-L330 VanDerWaalsContact C-N 3.28Å; V328-L330 PolarHBondContact O-N 2.79Å; V328-Q331 WeakPolarHBondContact O-CB 3.48Å; V328-Q331 PolarHBondContact O-N 3.27Å; V328-Q331 VanDerWaalsContact O-N 3.1Å; V328-E332 HydrophobicContact CG1-CG 4.22Å; V328-E332 WeakPolarHBondContact O-CB 3.45Å; V328-E332 WeakPolarHBondContact O-CG 3.24Å; V328-E332 PolarHBondContact O-N 2.66Å
329R96.3Very high96.7Very high75 Ų7564 Ų6428%0.28330%0.298SS..Hα-helixtrans-61.7-33.3-179.6-64.6169.8-162.3-142.5-1.7113.4I263 P264 D325 V326 R333I263-R329 HydrophobicContact CD1-CB 4.23Å; I263-R329 HydrophobicContact CG2-CB 4.05Å; P264-R329 PolarHBondContact O-NH1 3.05Å; D325-R329 WeakPolarHBondContact O-CD 3.39Å; D325-R329 WeakPolarHBondContact O-CG 3.11Å; D325-R329 PolarHBondContact O-N 3.47Å; D325-R329 PolarHBondContact O-NE 2.83Å; D325-R329 IonicContact OD1-CZ 3.72Å; D325-R329 IonicContact OD1-NE 3.77Å; D325-R329 PolarHBondContact OD1-NE 3.16Å; D325-R329 IonicContact OD1-NH2 3.64Å; D325-R329 PolarHBondContact OD1-NH2 3.35Å; D325-R329 IonicContact OD2-CZ 2.73Å; D325-R329 IonicContact OD2-NE 2.72Å; D325-R329 IonicContact OD2-NH2 3.24Å; D325-R329 PolarHBondContact OD2-NH2 3.13Å; V326-R329 PolarHBondContact O-N 2.9Å; R329-R333 VanDerWaalsContact O-CB 3.3Å; R329-R333 WeakPolarHBondContact O-CB 3.44Å; R329-R333 PolarHBondContact O-N 3.35Å
330L95.6Very high96.6Very high8 Ų871.5 Ų71.54%0.04233%0.328CS..Hα-helixtrans-71.8-40.8175.1-75.3171.5000111.7I263 I281 F289 P290 V326 G327 V328 R334I263-L330 HydrophobicContact CD1-CD2 3.73Å; I263-L330 HydrophobicContact CD1-CG 4.21Å; I281-L330 HydrophobicContact CB-CD2 4.49Å; F289-L330 HydrophobicContact CD2-CB 3.86Å; F289-L330 HydrophobicContact CD2-CD1 4.01Å; F289-L330 HydrophobicContact CE2-CB 3.62Å; F289-L330 HydrophobicContact CE2-CD1 4.18Å; F289-L330 HydrophobicContact CG-CD1 4.4Å; P290-L330 HydrophobicContact CG-CD1 4.32Å; V326-L330 HydrophobicContact CG1-CD1 3.54Å; V326-L330 HydrophobicContact CG1-CG 4.22Å; V326-L330 WeakPolarHBondContact O-CB 3.37Å; V326-L330 WeakPolarHBondContact O-CG 3.36Å; V326-L330 PolarHBondContact O-N 2.91Å; G327-L330 PolarHBondContact O-N 2.9Å; V328-L330 VanDerWaalsContact C-N 3.28Å; V328-L330 PolarHBondContact O-N 2.79Å; L330-R334 WeakPolarHBondContact O-CB 3.27Å; L330-R334 PolarHBondContact O-N 3.33Å
331Q96Very high96.5Very high114 Ų11471.4 Ų71.453%0.53333%0.33SS..Hα-helixtrans-63.9-47.4174.5-173.5-177.719.700111.1G327 V328 R334 H335G327-Q331 WeakPolarHBondContact O-CB 3.44Å; G327-Q331 PolarHBondContact O-N 3.01Å; V328-Q331 WeakPolarHBondContact O-CB 3.48Å; V328-Q331 PolarHBondContact O-N 3.27Å; V328-Q331 VanDerWaalsContact O-N 3.1Å; Q331-R334 PolarHBondContact O-N 3.45Å; Q331-H335 WeakPolarHBondContact O-CB 3.2Å; Q331-H335 PolarHBondContact O-N 3.03Å
332E96.3Very high96.4Very high107 Ų10772.2 Ų72.250%0.533%0.33SS..Hα-helixtrans-56-51.6173.1-72.7173.3163.200111.3V328 R334 H335 L336V328-E332 HydrophobicContact CG1-CG 4.22Å; V328-E332 WeakPolarHBondContact O-CB 3.45Å; V328-E332 WeakPolarHBondContact O-CG 3.24Å; V328-E332 PolarHBondContact O-N 2.66Å; E332-R334 VanDerWaalsContact C-N 3.29Å; E332-R334 PolarHBondContact O-N 2.9Å; E332-H335 PolarHBondContact O-N 2.93Å; E332-L336 WeakPolarHBondContact O-CB 3.44Å; E332-L336 WeakPolarHBondContact O-CG 3.25Å; E332-L336 PolarHBondContact O-N 2.98Å
333R95.6Very high96.3Very high31 Ų3174.4 Ų74.412%0.11735%0.352CS..Hα-helixtrans-58.4-41.3177.9-172.8178.665.8-177.4-4.6111.6V258 Q261 I263 I281 N282 R329 D337V258-R333 HydrophobicContact CG1-CG 3.94Å; V258-R333 WeakPolarHBondContact O-CD 3.41Å; V258-R333 VanDerWaalsContact O-CG 3.31Å; V258-R333 WeakPolarHBondContact O-CG 3.35Å; Q261-R333 WeakPolarHBondContact O-CD 3.42Å; Q261-R333 PolarHBondContact O-NH1 3.11Å; I263-R333 HydrophobicContact CD1-CB 4.19Å; I281-R333 PolarHBondContact O-NH2 3.42Å; N282-R333 PolarHBondContact OD1-NH1 3.2Å; R329-R333 VanDerWaalsContact O-CB 3.3Å; R329-R333 WeakPolarHBondContact O-CB 3.44Å; R329-R333 PolarHBondContact O-N 3.35Å; R333-D337 VanDerWaalsContact O-CB 3.27Å; R333-D337 WeakPolarHBondContact O-CB 3.44Å; R333-D337 PolarHBondContact O-N 3.04Å
334R94.3Very high96.2Very high167 Ų16772.6 Ų72.663%0.6335%0.348SS*.Hα-helixtrans-69.4-38.6177.9-172-179.169.2157.91.1112.4L330 Q331 E332 D337 L338L330-R334 WeakPolarHBondContact O-CB 3.27Å; L330-R334 PolarHBondContact O-N 3.33Å; Q331-R334 PolarHBondContact O-N 3.45Å; E332-R334 VanDerWaalsContact C-N 3.29Å; E332-R334 PolarHBondContact O-N 2.9Å; R334-D337 PolarHBondContact O-N 3.06Å; R334-L338 PolarHBondContact O-N 3.45Å
335H96.2Very high96.2Very high75 Ų7567.9 Ų67.935%0.34733%0.332SS..Hα-helixtrans-67.8-46.4176.8169.573.2000111.5Q331 E332 D337 L338 I339 P729Q331-H335 WeakPolarHBondContact O-CB 3.2Å; Q331-H335 PolarHBondContact O-N 3.03Å; E332-H335 PolarHBondContact O-N 2.93Å; H335-D337 VanDerWaalsContact C-N 3.32Å; H335-D337 PolarHBondContact O-N 3.03Å; H335-L338 WeakPolarHBondContact O-CB 3.44Å; H335-L338 PolarHBondContact O-N 3.4Å; H335-L338 VanDerWaalsContact O-N 3.16Å; H335-I339 PolarHBondContact O-N 2.99Å; H335-P729 PolarHBondContact CE1-O 3.25Å
336L97Very high96.2Very high65 Ų6570.7 Ų70.734%0.3435%0.346SS..Hα-helixtrans-59.9-41.6173-69.8176.5000111.8V258 E332 L338 I339 Y340V258-L336 HydrophobicContact CG1-CB 3.85Å; E332-L336 WeakPolarHBondContact O-CB 3.44Å; E332-L336 WeakPolarHBondContact O-CG 3.25Å; E332-L336 PolarHBondContact O-N 2.98Å; L336-L338 VanDerWaalsContact C-N 3.33Å; L336-L338 PolarHBondContact O-N 3.1Å; L336-I339 HydrophobicContact CD2-CD1 4.04Å; L336-I339 PolarHBondContact O-N 3.09Å; L336-Y340 HydrophobicContact CB-CD2 4.36Å; L336-Y340 HydrophobicContact CB-CE2 4.13Å; L336-Y340 HydrophobicContact CD2-CE2 4.13Å; L336-Y340 WeakPolarHBondContact O-CD2 3.42Å; L336-Y340 PolarHBondContact O-N 3.27Å; L336-Y340 VanDerWaalsContact O-N 3.15Å
337D95.6Very high96.3Very high11 Ų1173.3 Ų73.36%0.05936%0.363CS..Hα-helixtrans-65-35.1175.7-165.180.7000112.7R257 V258 I259 R333 R334 H335 N341R257-D337 WeakPolarHBondContact CB-OD1 3.36Å; R257-D337 IonicContact CZ-OD2 2.66Å; R257-D337 VanDerWaalsContact CZ-OD2 3.27Å; R257-D337 IonicContact NE-OD1 2.73Å; R257-D337 PolarHBondContact NE-OD1 3.07Å; R257-D337 IonicContact NE-OD2 3.33Å; R257-D337 PolarHBondContact NE-OD2 3.48Å; R257-D337 IonicContact NH2-OD2 3.02Å; R257-D337 PolarHBondContact NH2-OD2 2.85Å; V258-D337 HydrophobicContact CB-CB 3.99Å; V258-D337 PolarHBondContact N-OD1 2.88Å; I259-D337 HydrophobicContact CB-CB 4.24Å; I259-D337 PolarHBondContact N-OD1 2.97Å; R333-D337 VanDerWaalsContact O-CB 3.27Å; R333-D337 WeakPolarHBondContact O-CB 3.44Å; R333-D337 PolarHBondContact O-N 3.04Å; R334-D337 PolarHBondContact O-N 3.06Å; H335-D337 VanDerWaalsContact C-N 3.32Å; H335-D337 PolarHBondContact O-N 3.03Å; D337-N341 WeakPolarHBondContact O-CB 3.43Å; D337-N341 PolarHBondContact O-N 2.85Å; D337-N341 PolarHBondContact O-ND2 3.34Å
338L95.8Very high96.3Very high102 Ų10278.7 Ų78.753%0.53439%0.389SS..Hα-helixtrans-63.2-60171.3177.962.5000111R334 H335 L336 Y340 N341 F342R334-L338 PolarHBondContact O-N 3.45Å; H335-L338 WeakPolarHBondContact O-CB 3.44Å; H335-L338 PolarHBondContact O-N 3.4Å; H335-L338 VanDerWaalsContact O-N 3.16Å; L336-L338 VanDerWaalsContact C-N 3.33Å; L336-L338 PolarHBondContact O-N 3.1Å; L338-Y340 VanDerWaalsContact C-N 3.28Å; L338-Y340 PolarHBondContact O-N 3.21Å; L338-N341 CarbonylContact O-C 3.46Å; L338-N341 PolarHBondContact O-N 3.1Å; L338-F342 HydrophobicContact CD1-CD2 3.99Å; L338-F342 WeakPolarHBondContact O-CB 3.45Å; L338-F342 PolarHBondContact O-N 2.73Å
339I96.3Very high96.3Very high59 Ų5981.2 Ų81.230%0.30340%0.4SS..Hα-helixtrans-64-29.8-170.669.3-179.8000113.4H335 L336 P729H335-I339 PolarHBondContact O-N 2.99Å; L336-I339 HydrophobicContact CD2-CD1 4.04Å; L336-I339 PolarHBondContact O-N 3.09Å; I339-P729 HydrophobicContact CG2-CB 3.75Å
340Y96.3Very high96.3Very high159 Ų15983.2 Ų83.262%0.62441%0.408SS*.THydrogen-bonded Turntrans-82.8-10176.5-63.9-45.8000114.6V258 L336 L338V258-Y340 HydrophobicContact CG2-CD2 3.67Å; V258-Y340 HydrophobicContact CG2-CE2 4.1Å; L336-Y340 HydrophobicContact CB-CD2 4.36Å; L336-Y340 HydrophobicContact CB-CE2 4.13Å; L336-Y340 HydrophobicContact CD2-CE2 4.13Å; L336-Y340 WeakPolarHBondContact O-CD2 3.42Å; L336-Y340 PolarHBondContact O-N 3.27Å; L336-Y340 VanDerWaalsContact O-N 3.15Å; L338-Y340 VanDerWaalsContact C-N 3.28Å; L338-Y340 PolarHBondContact O-N 3.21Å
341N95.5Very high96.3Very high92 Ų9290 Ų9049%0.49243%0.433SS..SBendtrans-129.219.3-178.3-57-93.5000112.2D337 L338D337-N341 WeakPolarHBondContact O-CB 3.43Å; D337-N341 PolarHBondContact O-N 2.85Å; D337-N341 PolarHBondContact O-ND2 3.34Å; L338-N341 CarbonylContact O-C 3.46Å; L338-N341 PolarHBondContact O-N 3.1Å
342F96.1Very high96.3Very high106 Ų10687.2 Ų87.247%0.46543%0.425SS..  trans-84.1146.1-178.2-175.9-102.7000112.1L338L338-F342 HydrophobicContact CD1-CD2 3.99Å; L338-F342 WeakPolarHBondContact O-CB 3.45Å; L338-F342 PolarHBondContact O-N 2.73Å
343G96.2Very high96.3Very high47 Ų4785.4 Ų85.449%0.48544%0.435SS..SBendtrans73.1-143.2170.500000115.2T347G343-T347 WeakPolarHBondContact CA-OG1 3.5Å
344C96.5Very high96.4Very high29 Ų2989.2 Ų89.220%0.19646%0.461CS..  trans-158.2-168.7-177.966.50000111.4L346 T347 D348C344-L346 PolarHBondContact O-N 2.93Å; C344-T347 PolarHBondContact N-OG1 3.23Å; C344-T347 PolarHBondContact O-N 3.22Å; C344-T347 PolarHBondContact O-OG1 2.8Å; C344-D348 PolarHBondContact O-N 3.22Å; C344-D348 VanDerWaalsContact O-N 3.07Å
345H97.9Very high96.5Very high51 Ų5184.3 Ų84.324%0.23645%0.448CS..THydrogen-bonded Turntrans-60.6-15.3178.863.6-70000114.8E213 T347 D348E213-H345 IonicContact OE1-CD2 3.61Å; E213-H345 IonicContact OE1-CE1 3.56Å; E213-H345 IonicContact OE1-NE2 2.67Å; E213-H345 PolarHBondContact OE1-NE2 3.19Å; H345-T347 VanDerWaalsContact C-N 3.35Å; H345-D348 WeakPolarHBondContact CA-OD2 3.28Å
346L97.6Very high96.6Very high105 Ų10584.8 Ų84.855%0.5546%0.458SS..THydrogen-bonded Turntrans-78.9-18.5172.5-55.3178.8000112.7E213 C344E213-L346 HydrophobicContact CG-CD1 4.38Å; E213-L346 HydrophobicContact CG-CD2 4.15Å; C344-L346 PolarHBondContact O-N 2.93Å
347T97.3Very high96.7Very high57 Ų5782.2 Ų82.235%0.3545%0.445SS..THydrogen-bonded Turntrans-113.4-13.5-179.154.60000113.9G343 C344 H345 D349 Y350G343-T347 WeakPolarHBondContact CA-OG1 3.5Å; C344-T347 PolarHBondContact N-OG1 3.23Å; C344-T347 PolarHBondContact O-N 3.22Å; C344-T347 PolarHBondContact O-OG1 2.8Å; H345-T347 VanDerWaalsContact C-N 3.35Å; T347-D349 PolarHBondContact O-N 3.38Å; T347-Y350 WeakPolarHBondContact O-CB 3.46Å; T347-Y350 PolarHBondContact O-N 2.94Å
348D96.4Very high96.8Very high124 Ų12487.4 Ų87.466%0.66347%0.472SS*.THydrogen-bonded Turntrans-53.5-28.1-179.5-75.2-13.8000114.1C344 H345C344-D348 PolarHBondContact O-N 3.22Å; C344-D348 VanDerWaalsContact O-N 3.07Å; H345-D348 WeakPolarHBondContact CA-OD2 3.28Å
349D96.8Very high96.8Very high121 Ų12187.7 Ų87.765%0.64748%0.483SS*.THydrogen-bonded Turntrans-93.25.6179.3-107.6-47.2000114.3T347 R351T347-D349 PolarHBondContact O-N 3.38Å; D349-R351 IonicContact OD1-CZ 3.07Å; D349-R351 IonicContact OD1-NH2 3Å; D349-R351 PolarHBondContact OD1-NH2 3.3Å
350Y96.4Very high96.9Very high118 Ų11888 Ų8846%0.46349%0.485SS..  trans-56.9137.7178.5169-93000112.6T347 P352 D728T347-Y350 WeakPolarHBondContact O-CB 3.46Å; T347-Y350 PolarHBondContact O-N 2.94Å; Y350-P352 HydrophobicContact CE1-CG 3.84Å; Y350-D728 PolarHBondContact OH-OD2 2.81Å
351R96.7Very high97Very high150 Ų15084.8 Ų84.857%0.56648%0.484SS*.  trans-147.3124.9177.3-60.9174.2-155.9-177.86.6109D349 G353 V354D349-R351 IonicContact OD1-CZ 3.07Å; D349-R351 IonicContact OD1-NH2 3Å; D349-R351 PolarHBondContact OD1-NH2 3.3Å; R351-G353 PolarHBondContact O-N 2.94Å; R351-G353 VanDerWaalsContact O-N 3.15Å; R351-V354 HydrophobicContact CB-CG2 3.94Å; R351-V354 PolarHBondContact O-N 2.75Å
352P95.8Very high97.2Very high56 Ų5684 Ų8436%0.36448%0.482SS..G310 helixtrans-54-37.8-179.4-27.933.4000113.7Y350 V354 D355Y350-P352 HydrophobicContact CE1-CG 3.84Å; P352-V354 PolarHBondContact O-N 2.67Å; P352-D355 WeakPolarHBondContact O-CB 3.46Å; P352-D355 PolarHBondContact O-N 2.89Å
353G96.6Very high97.3Very high68 Ų6881.8 Ų81.870%0.70148%0.475SS*.G310 helixtrans-70.69.7177.500000116.4R351R351-G353 PolarHBondContact O-N 2.94Å; R351-G353 VanDerWaalsContact O-N 3.15Å
354V96.9Very high97.4Very high111 Ų11180.8 Ų80.867%0.67346%0.463SS*.G310 helixtrans-117.84.9175.7-171.30000111.3R351 P352R351-V354 HydrophobicContact CB-CG2 3.94Å; R351-V354 PolarHBondContact O-N 2.75Å; P352-V354 PolarHBondContact O-N 2.67Å
355D97.3Very high97.5Very high65 Ų6585.2 Ų85.235%0.34848%0.475SS..  trans-57.5122.5173.3167.225.4000111.6P352 A357 L358P352-D355 WeakPolarHBondContact O-CB 3.46Å; P352-D355 PolarHBondContact O-N 2.89Å; D355-A357 PolarHBondContact O-N 3.42Å; D355-A357 WeakPolarHBondContact OD1-CB 3.42Å; D355-A357 PolarHBondContact OD1-N 3.38Å; D355-A357 WeakPolarHBondContact OD2-CB 3.42Å; D355-L358 HydrophobicContact CB-CD1 4.17Å; D355-L358 HydrophobicContact CB-CG 4.06Å; D355-L358 WeakPolarHBondContact O-CB 3.23Å; D355-L358 PolarHBondContact O-N 3.44Å; D355-L358 VanDerWaalsContact O-N 3.09Å
356P98.1Very high97.5Very high85 Ų8590.8 Ų90.855%0.55249%0.494SS*.G310 helixtrans-61.4-23.5178.125.6-35.2000113.7L358 S359 D360 L363P356-L358 PolarHBondContact O-N 2.98Å; P356-S359 PolarHBondContact O-N 3.38Å; P356-D360 PolarHBondContact O-N 3.19Å; P356-L363 HydrophobicContact CB-CD2 4.21Å; P356-L363 HydrophobicContact CG-CD2 4.06Å
357A97.8Very high97.6Very high10 Ų1089.4 Ų89.48%0.08349%0.487CS..G310 helixtrans-69.2-17.7176.500000113D355 S359 L363 A364 L367D355-A357 PolarHBondContact O-N 3.42Å; D355-A357 WeakPolarHBondContact OD1-CB 3.42Å; D355-A357 PolarHBondContact OD1-N 3.38Å; D355-A357 WeakPolarHBondContact OD2-CB 3.42Å; A357-S359 PolarHBondContact O-N 2.85Å; A357-L363 HydrophobicContact CB-CB 4.48Å; A357-L363 HydrophobicContact CB-CD2 3.93Å; A357-L363 HydrophobicContact CB-CG 3.85Å; A357-A364 HydrophobicContact CB-CB 4.42Å; A357-A364 WeakPolarHBondContact O-CB 3.4Å; A357-L367 HydrophobicContact CB-CD1 3.63Å
358L97.6Very high97.6Very high120 Ų12094.4 Ų94.463%0.62850%0.499SS*.G310 helixtrans-68.1-20.7169.1-58.9175.7000112.4D355 P356D355-L358 HydrophobicContact CB-CD1 4.17Å; D355-L358 HydrophobicContact CB-CG 4.06Å; D355-L358 WeakPolarHBondContact O-CB 3.23Å; D355-L358 PolarHBondContact O-N 3.44Å; D355-L358 VanDerWaalsContact O-N 3.09Å; P356-L358 PolarHBondContact O-N 2.98Å
359S97.8Very high97.7Very high108 Ų10893.6 Ų93.676%0.75549%0.491SS*.THydrogen-bonded Turntrans-107.5-35.1-179-61.80000113.8P356 A357 P361P356-S359 PolarHBondContact O-N 3.38Å; A357-S359 PolarHBondContact O-N 2.85Å; S359-P361 WeakPolarHBondContact O-CD 3.46Å
360D98.4Very high97.8Very high65 Ų6591.5 Ų91.535%0.34848%0.48SS..  trans-97.8108.2174.8176.623000112.4P356 T362 L363 A364P356-D360 PolarHBondContact O-N 3.19Å; D360-T362 PolarHBondContact O-N 2.94Å; D360-T362 WeakPolarHBondContact OD1-CA 3.45Å; D360-T362 WeakPolarHBondContact OD1-CB 3.42Å; D360-T362 PolarHBondContact OD1-N 2.66Å; D360-T362 PolarHBondContact OD1-OG1 3.05Å; D360-L363 HydrophobicContact CB-CB 4Å; D360-L363 PolarHBondContact O-N 2.66Å; D360-L363 WeakPolarHBondContact OD2-CB 3.49Å; D360-L363 PolarHBondContact OD2-N 3.07Å; D360-A364 WeakPolarHBondContact O-CB 3.4Å; D360-A364 PolarHBondContact O-N 2.75Å
361P98.2Very high97.9Very high93 Ų9390.4 Ų90.460%0.60448%0.475SS*.Hα-helixtrans-68-15.6176.930.1-36.2000113.6S359 R365S359-P361 WeakPolarHBondContact O-CD 3.46Å; P361-R365 WeakPolarHBondContact O-CB 3.47Å; P361-R365 PolarHBondContact O-N 2.99Å
362T98.6Very high98Very high74 Ų7487.2 Ų87.245%0.45447%0.473SS..Hα-helixtrans-75.7-50.6175.4-51.30000110.4D360 R365 R366D360-T362 PolarHBondContact O-N 2.94Å; D360-T362 WeakPolarHBondContact OD1-CA 3.45Å; D360-T362 WeakPolarHBondContact OD1-CB 3.42Å; D360-T362 PolarHBondContact OD1-N 2.66Å; D360-T362 PolarHBondContact OD1-OG1 3.05Å; T362-R365 PolarHBondContact O-N 3.43Å; T362-R366 PolarHBondContact O-N 3.22Å
363L98.4Very high98.1Very high61 Ų6188.8 Ų88.832%0.31948%0.477SS..Hα-helixtrans-56-49168.3-179.359000111P356 A357 D360 R365 R366 L367P356-L363 HydrophobicContact CB-CD2 4.21Å; P356-L363 HydrophobicContact CG-CD2 4.06Å; A357-L363 HydrophobicContact CB-CB 4.48Å; A357-L363 HydrophobicContact CB-CD2 3.93Å; A357-L363 HydrophobicContact CB-CG 3.85Å; D360-L363 HydrophobicContact CB-CB 4Å; D360-L363 PolarHBondContact O-N 2.66Å; D360-L363 WeakPolarHBondContact OD2-CB 3.49Å; D360-L363 PolarHBondContact OD2-N 3.07Å; L363-R365 VanDerWaalsContact C-N 3.25Å; L363-R365 PolarHBondContact O-N 2.97Å; L363-R366 PolarHBondContact O-N 2.74Å; L363-R366 VanDerWaalsContact O-N 3.08Å; L363-L367 HydrophobicContact CD1-CD1 4.25Å; L363-L367 HydrophobicContact CD1-CD2 4.38Å; L363-L367 HydrophobicContact CD1-CG 4.05Å; L363-L367 HydrophobicContact CG-CD1 4.16Å; L363-L367 HydrophobicContact CG-CG 4.34Å; L363-L367 WeakPolarHBondContact O-CG 3.47Å; L363-L367 PolarHBondContact O-N 2.95Å
364A98.3Very high98.2Very high26 Ų2687.6 Ų87.622%0.21546%0.461CS..Hα-helixtrans-59.6-31.9177.700000113.9A357 D360 R368A357-A364 HydrophobicContact CB-CB 4.42Å; A357-A364 WeakPolarHBondContact O-CB 3.4Å; D360-A364 WeakPolarHBondContact O-CB 3.4Å; D360-A364 PolarHBondContact O-N 2.75Å; A364-R368 WeakPolarHBondContact O-CG 3.28Å; A364-R368 PolarHBondContact O-N 3.02Å; A364-R368 PolarHBondContact O-NE 2.86Å
365R98.6Very high98.3Very high122 Ų12285.1 Ų85.146%0.4644%0.443SS..Hα-helixtrans-70.4-48.2173-171.8-178.664.7-111.90.2110.8P361 T362 L363 L367 R368 E369P361-R365 WeakPolarHBondContact O-CB 3.47Å; P361-R365 PolarHBondContact O-N 2.99Å; T362-R365 PolarHBondContact O-N 3.43Å; L363-R365 VanDerWaalsContact C-N 3.25Å; L363-R365 PolarHBondContact O-N 2.97Å; R365-L367 VanDerWaalsContact C-N 3.34Å; R365-L367 PolarHBondContact O-N 3.22Å; R365-R368 PolarHBondContact O-N 3Å; R365-E369 WeakPolarHBondContact CG-OE1 3.37Å; R365-E369 IonicContact NE-OE1 2.71Å; R365-E369 WeakPolarHBondContact O-CG 3.48Å; R365-E369 PolarHBondContact O-N 3.47Å
366R98.6Very high98.3Very high168 Ų16886.7 Ų86.763%0.63445%0.452SS*.Hα-helixtrans-64.4-35.5179.2-169.9170.9-179.2171.2-1.1112.8T362 L363 E369 N370T362-R366 PolarHBondContact O-N 3.22Å; L363-R366 PolarHBondContact O-N 2.74Å; L363-R366 VanDerWaalsContact O-N 3.08Å; R366-E369 PolarHBondContact O-N 2.8Å; R366-N370 WeakPolarHBondContact O-CB 3.29Å; R366-N370 PolarHBondContact O-N 2.92Å; R366-N370 PolarHBondContact O-OD1 3.32Å
367L98.4Very high98.3Very high76 Ų7690 Ų9040%0.39845%0.453SS..Hα-helixtrans-67.3-35.6174.5-67.8-176.5000112.3A357 L363 R365 N370 R371A357-L367 HydrophobicContact CB-CD1 3.63Å; L363-L367 HydrophobicContact CD1-CD1 4.25Å; L363-L367 HydrophobicContact CD1-CD2 4.38Å; L363-L367 HydrophobicContact CD1-CG 4.05Å; L363-L367 HydrophobicContact CG-CD1 4.16Å; L363-L367 HydrophobicContact CG-CG 4.34Å; L363-L367 WeakPolarHBondContact O-CG 3.47Å; L363-L367 PolarHBondContact O-N 2.95Å; R365-L367 VanDerWaalsContact C-N 3.34Å; R365-L367 PolarHBondContact O-N 3.22Å; L367-N370 PolarHBondContact O-N 3.5Å; L367-R371 WeakPolarHBondContact O-CB 3.29Å; L367-R371 PolarHBondContact O-N 3.37Å
368R98.4Very high98.4Very high161 Ų16193.6 Ų93.661%0.60847%0.471SS*.Hα-helixtrans-67.3-40.6171.4-73.8176.4-68.7139.3-8.2112.6A364 R365 R371 T372A364-R368 WeakPolarHBondContact O-CG 3.28Å; A364-R368 PolarHBondContact O-N 3.02Å; A364-R368 PolarHBondContact O-NE 2.86Å; R365-R368 PolarHBondContact O-N 3Å; R368-R371 PolarHBondContact O-N 3.36Å; R368-T372 PolarHBondContact O-N 2.9Å; R368-T372 VanDerWaalsContact O-N 3.07Å; R368-T372 PolarHBondContact O-OG1 2.8Å
369E98.6Very high98.4Very high107 Ų10792.5 Ų92.550%0.547%0.465SS..Hα-helixtrans-60.8-46.6173-68.9161.9-173.800111R365 R366 R371 T372 L373R365-E369 WeakPolarHBondContact CG-OE1 3.37Å; R365-E369 IonicContact NE-OE1 2.71Å; R365-E369 WeakPolarHBondContact O-CG 3.48Å; R365-E369 PolarHBondContact O-N 3.47Å; R366-E369 PolarHBondContact O-N 2.8Å; E369-R371 PolarHBondContact O-N 2.77Å; E369-T372 PolarHBondContact O-N 2.86Å; E369-L373 PolarHBondContact O-N 2.87Å; E369-L373 VanDerWaalsContact O-N 3.09Å
370N98.4Very high98.5Very high78 Ų7893.5 Ų93.542%0.41746%0.458SS..Hα-helixtrans-59.4-43.3173.9-70.6-8.6000112.1R366 L367 L373 A374R366-N370 WeakPolarHBondContact O-CB 3.29Å; R366-N370 PolarHBondContact O-N 2.92Å; R366-N370 PolarHBondContact O-OD1 3.32Å; L367-N370 PolarHBondContact O-N 3.5Å; N370-L373 PolarHBondContact O-N 2.79Å; N370-A374 WeakPolarHBondContact O-CB 3.31Å; N370-A374 PolarHBondContact O-N 3.15Å
371R98.3Very high98.5Very high94 Ų9494.1 Ų94.136%0.35546%0.464SS..Hα-helixtrans-61.7-47.7179.8177.257.9178.3-163.2-4111.7L367 R368 E369 L373 A374 M375 E731L367-R371 WeakPolarHBondContact O-CB 3.29Å; L367-R371 PolarHBondContact O-N 3.37Å; R368-R371 PolarHBondContact O-N 3.36Å; E369-R371 PolarHBondContact O-N 2.77Å; R371-L373 VanDerWaalsContact C-N 3.34Å; R371-L373 PolarHBondContact O-N 2.86Å; R371-A374 PolarHBondContact O-N 2.95Å; R371-M375 WeakPolarHBondContact O-CG 3.04Å; R371-M375 PolarHBondContact O-N 3.2Å; R371-E731 VanDerWaalsContact CZ-CD 3.49Å; R371-E731 IonicContact CZ-OE1 3.03Å; R371-E731 IonicContact CZ-OE2 3.28Å; R371-E731 IonicContact NE-OE1 3.61Å; R371-E731 IonicContact NH1-OE1 2.64Å; R371-E731 IonicContact NH1-OE2 3.66Å; R371-E731 PolarHBondContact NH1-OE2 3.02Å; R371-E731 IonicContact NH2-OE1 2.86Å; R371-E731 PolarHBondContact NH2-OE1 3.08Å; R371-E731 IonicContact NH2-OE2 3.08Å; R371-E731 PolarHBondContact NH2-OE2 3.22Å
372T98.6Very high98.5Very high84 Ų8494.6 Ų94.652%0.51546%0.46SS..Hα-helixtrans-60.1-44.3176-57.30000111.3R368 E369 A374 M375 N376R368-T372 PolarHBondContact O-N 2.9Å; R368-T372 VanDerWaalsContact O-N 3.07Å; R368-T372 PolarHBondContact O-OG1 2.8Å; E369-T372 PolarHBondContact O-N 2.86Å; T372-A374 VanDerWaalsContact C-N 3.34Å; T372-A374 PolarHBondContact O-N 3.49Å; T372-M375 PolarHBondContact O-N 3.38Å; T372-N376 WeakPolarHBondContact O-CB 3.12Å; T372-N376 PolarHBondContact O-N 3.22Å; T372-N376 VanDerWaalsContact O-N 3.09Å; T372-N376 PolarHBondContact O-OD1 3.38Å
373L98.6Very high98.5Very high88 Ų8893.2 Ų93.246%0.46145%0.454SS..Hα-helixtrans-63.1-38.2175.9179.661.1000112.6E369 N370 R371 R377E369-L373 PolarHBondContact O-N 2.87Å; E369-L373 VanDerWaalsContact O-N 3.09Å; N370-L373 PolarHBondContact O-N 2.79Å; R371-L373 VanDerWaalsContact C-N 3.34Å; R371-L373 PolarHBondContact O-N 2.86Å; L373-R377 HydrophobicContact CD1-CG 4.36Å; L373-R377 WeakPolarHBondContact O-CB 3.36Å; L373-R377 WeakPolarHBondContact O-CG 3.43Å; L373-R377 PolarHBondContact O-N 2.98Å
374A98.4Very high98.5Very high44 Ų4495.4 Ų95.436%0.36446%0.461SS..Hα-helixtrans-65.9-46.8178.200000111.9N370 R371 T372 R377 L378N370-A374 WeakPolarHBondContact O-CB 3.31Å; N370-A374 PolarHBondContact O-N 3.15Å; R371-A374 PolarHBondContact O-N 2.95Å; T372-A374 VanDerWaalsContact C-N 3.34Å; T372-A374 PolarHBondContact O-N 3.49Å; A374-R377 PolarHBondContact O-N 2.76Å; A374-L378 WeakPolarHBondContact O-CG 3.21Å; A374-L378 PolarHBondContact O-N 3.01Å
375M98.4Very high98.5Very high58 Ų58101 Ų10129%0.28648%0.477SS..Hα-helixtrans-61.9-46.2177.8-63.1-599300111.4R371 T372 R377 L378 D379R371-M375 WeakPolarHBondContact O-CG 3.04Å; R371-M375 PolarHBondContact O-N 3.2Å; T372-M375 PolarHBondContact O-N 3.38Å; M375-R377 VanDerWaalsContact C-N 3.27Å; M375-R377 PolarHBondContact O-N 2.86Å; M375-L378 HydrophobicContact CE-CD1 3.74Å; M375-L378 PolarHBondContact O-N 2.64Å; M375-D379 PolarHBondContact O-N 3.08Å; M375-D379 VanDerWaalsContact O-N 3.08Å
376N98.6Very high98.5Very high99 Ų9997.4 Ų97.453%0.52947%0.474SS..Hα-helixtrans-60.2-36.2176.9-66.9-0.1000112.3T372 E380T372-N376 WeakPolarHBondContact O-CB 3.12Å; T372-N376 PolarHBondContact O-N 3.22Å; T372-N376 VanDerWaalsContact O-N 3.09Å; T372-N376 PolarHBondContact O-OD1 3.38Å; N376-E380 VanDerWaalsContact O-CB 3.3Å; N376-E380 WeakPolarHBondContact O-CB 3.38Å; N376-E380 PolarHBondContact O-N 3.08Å
377R98.6Very high98.4Very high154 Ų15494 Ų9458%0.58147%0.466SS*.Hα-helixtrans-72.2-34.3176.8-80.6179.4171.1-165.4-1.6113.6L373 A374 M375 V381L373-R377 HydrophobicContact CD1-CG 4.36Å; L373-R377 WeakPolarHBondContact O-CB 3.36Å; L373-R377 WeakPolarHBondContact O-CG 3.43Å; L373-R377 PolarHBondContact O-N 2.98Å; A374-R377 PolarHBondContact O-N 2.76Å; M375-R377 VanDerWaalsContact C-N 3.27Å; M375-R377 PolarHBondContact O-N 2.86Å; R377-V381 VanDerWaalsContact O-CG2 3.31Å; R377-V381 WeakPolarHBondContact O-CG2 3.29Å; R377-V381 PolarHBondContact O-N 3.21Å; R377-V381 VanDerWaalsContact O-N 3.14Å
378L98.5Very high98.4Very high86 Ų8694.9 Ų94.945%0.4547%0.47SS..Hα-helixtrans-65.2-47.8173.9-69177.4000110.3A374 M375 V381 I382A374-L378 WeakPolarHBondContact O-CG 3.21Å; A374-L378 PolarHBondContact O-N 3.01Å; M375-L378 HydrophobicContact CE-CD1 3.74Å; M375-L378 PolarHBondContact O-N 2.64Å; L378-V381 PolarHBondContact O-N 3.18Å; L378-I382 WeakPolarHBondContact O-CD1 3.46Å; L378-I382 VanDerWaalsContact O-CG1 3.28Å; L378-I382 WeakPolarHBondContact O-CG1 3.25Å; L378-I382 PolarHBondContact O-N 3.16Å
379D98.4Very high98.3Very high97 Ų9793 Ų9352%0.51947%0.467SS..Hα-helixtrans-61.3-46.1175.2176.748.3000112.3M375 V381 I382 S383M375-D379 PolarHBondContact O-N 3.08Å; M375-D379 VanDerWaalsContact O-N 3.08Å; D379-V381 VanDerWaalsContact C-N 3.26Å; D379-V381 PolarHBondContact O-N 2.75Å; D379-I382 PolarHBondContact O-N 3.1Å; D379-S383 WeakPolarHBondContact O-CB 3.33Å; D379-S383 PolarHBondContact O-N 3.38Å; D379-S383 PolarHBondContact O-OG 2.98Å; D379-S383 PolarHBondContact OD1-OG 3.32Å; D379-S383 VanDerWaalsContact OD1-OG 3.08Å
380E98.6Very high98.2Very high129 Ų12992.7 Ų92.760%0.60347%0.469SS*.Hα-helixtrans-53.7-43.8176.3-173.1-167.8159.600111.6N376 K384N376-E380 VanDerWaalsContact O-CB 3.3Å; N376-E380 WeakPolarHBondContact O-CB 3.38Å; N376-E380 PolarHBondContact O-N 3.08Å; E380-K384 WeakPolarHBondContact O-CB 3.13Å; E380-K384 PolarHBondContact O-N 2.8Å
381V98.6Very high98.1Very high78 Ų7895.3 Ų95.347%0.47348%0.477SS..Hα-helixtrans-69.5-46.7178.8171.10000111.6R377 L378 D379 K384 Y385R377-V381 VanDerWaalsContact O-CG2 3.31Å; R377-V381 WeakPolarHBondContact O-CG2 3.29Å; R377-V381 PolarHBondContact O-N 3.21Å; R377-V381 VanDerWaalsContact O-N 3.14Å; L378-V381 PolarHBondContact O-N 3.18Å; D379-V381 VanDerWaalsContact C-N 3.26Å; D379-V381 PolarHBondContact O-N 2.75Å; V381-K384 PolarHBondContact O-N 3.14Å; V381-Y385 HydrophobicContact CG1-CD2 3.99Å; V381-Y385 HydrophobicContact CG1-CE2 4.1Å; V381-Y385 VanDerWaalsContact O-CD2 3.31Å; V381-Y385 WeakPolarHBondContact O-CD2 3.28Å; V381-Y385 PolarHBondContact O-N 3.46Å; V381-Y385 VanDerWaalsContact O-N 3.09Å
382I98.5Very high98Very high102 Ų10295.3 Ų95.352%0.52349%0.487SS..Hα-helixtrans-61.2-53.7179.4-67.9163.9000110.1L378 D379 K384 Y385 A386L378-I382 WeakPolarHBondContact O-CD1 3.46Å; L378-I382 VanDerWaalsContact O-CG1 3.28Å; L378-I382 WeakPolarHBondContact O-CG1 3.25Å; L378-I382 PolarHBondContact O-N 3.16Å; D379-I382 PolarHBondContact O-N 3.1Å; I382-K384 VanDerWaalsContact C-N 3.29Å; I382-K384 PolarHBondContact O-N 2.96Å; I382-Y385 PolarHBondContact O-N 2.83Å; I382-Y385 VanDerWaalsContact O-N 3.14Å; I382-A386 PolarHBondContact O-N 3.33Å
383S98.4Very high97.8Very high46 Ų4694.5 Ų94.532%0.32248%0.478SS..Hα-helixtrans-59.9-36.5178.5-73.80000112.5D379 M387D379-S383 WeakPolarHBondContact O-CB 3.33Å; D379-S383 PolarHBondContact O-N 3.38Å; D379-S383 PolarHBondContact O-OG 2.98Å; D379-S383 PolarHBondContact OD1-OG 3.32Å; D379-S383 VanDerWaalsContact OD1-OG 3.08Å; S383-M387 VanDerWaalsContact O-CB 3.29Å; S383-M387 WeakPolarHBondContact O-CB 3.37Å; S383-M387 WeakPolarHBondContact O-CE 3.36Å; S383-M387 WeakPolarHBondContact O-CG 3.47Å; S383-M387 PolarHBondContact O-N 2.96Å
384K98.4Very high97.5Very high107 Ų10795.5 Ų95.547%0.46548%0.48SS..Hα-helixtrans-62.4-45.2173.6173-175.3174.3-172.70112.5E380 V381 I382 M388E380-K384 WeakPolarHBondContact O-CB 3.13Å; E380-K384 PolarHBondContact O-N 2.8Å; V381-K384 PolarHBondContact O-N 3.14Å; I382-K384 VanDerWaalsContact C-N 3.29Å; I382-K384 PolarHBondContact O-N 2.96Å; K384-M388 HydrophobicContact CG-SD 4.35Å; K384-M388 WeakPolarHBondContact O-CG 3.47Å; K384-M388 PolarHBondContact O-N 3.19Å; K384-M388 VanDerWaalsContact O-N 3.1Å
385Y98.3Very high97.1Very high143 Ų14395 Ų9556%0.56148%0.48SS*.Hα-helixtrans-73.2-37.9-179.6-82.8-74.8000112.4V381 I382 M388 Q389V381-Y385 HydrophobicContact CG1-CD2 3.99Å; V381-Y385 HydrophobicContact CG1-CE2 4.1Å; V381-Y385 VanDerWaalsContact O-CD2 3.31Å; V381-Y385 WeakPolarHBondContact O-CD2 3.28Å; V381-Y385 PolarHBondContact O-N 3.46Å; V381-Y385 VanDerWaalsContact O-N 3.09Å; I382-Y385 PolarHBondContact O-N 2.83Å; I382-Y385 VanDerWaalsContact O-N 3.14Å; Y385-M388 HydrophobicContact CD1-SD 4.42Å; Y385-M388 HydrophobicContact CE1-CE 4.48Å; Y385-M388 HydrophobicContact CE1-SD 4.48Å; Y385-M388 WeakPolarHBondContact O-CB 3.37Å; Y385-M388 PolarHBondContact O-N 3.09Å; Y385-Q389 PolarHBondContact O-N 3.24Å
386A98.1Very high96.8Very high47 Ų4796.6 Ų96.639%0.38849%0.487SS..Hα-helixtrans-56.2-52.617000000111.3I382 M388 Q389 D390I382-A386 PolarHBondContact O-N 3.33Å; A386-M388 PolarHBondContact O-N 3.35Å; A386-Q389 WeakPolarHBondContact O-CB 3.43Å; A386-Q389 PolarHBondContact O-N 2.99Å; A386-D390 PolarHBondContact O-N 2.78Å
387M97.6Very high96.5Very high95 Ų9598.6 Ų98.647%0.46849%0.487SS..Hα-helixtrans-62-15.8174.8-80.3-167.5-76.700115S383 K391S383-M387 VanDerWaalsContact O-CB 3.29Å; S383-M387 WeakPolarHBondContact O-CB 3.37Å; S383-M387 WeakPolarHBondContact O-CE 3.36Å; S383-M387 WeakPolarHBondContact O-CG 3.47Å; S383-M387 PolarHBondContact O-N 2.96Å; M387-K391 WeakPolarHBondContact O-CD 3.02Å; M387-K391 VanDerWaalsContact O-CE 3.28Å; M387-K391 WeakPolarHBondContact O-CE 3.34Å; M387-K391 VanDerWaalsContact O-CG 3.25Å; M387-K391 WeakPolarHBondContact O-CG 3.41Å; M387-K391 PolarHBondContact O-NZ 3.38Å; M387-K391 VanDerWaalsContact O-NZ 3.15Å
388M97.4Very high96Very high96 Ų9696.3 Ų96.347%0.47348%0.482SS..Hα-helixtrans-86.5-36.3172.6-79177.156.900111.4K384 Y385 A386 T392K384-M388 HydrophobicContact CG-SD 4.35Å; K384-M388 WeakPolarHBondContact O-CG 3.47Å; K384-M388 PolarHBondContact O-N 3.19Å; K384-M388 VanDerWaalsContact O-N 3.1Å; Y385-M388 HydrophobicContact CD1-SD 4.42Å; Y385-M388 HydrophobicContact CE1-CE 4.48Å; Y385-M388 HydrophobicContact CE1-SD 4.48Å; Y385-M388 WeakPolarHBondContact O-CB 3.37Å; Y385-M388 PolarHBondContact O-N 3.09Å; A386-M388 PolarHBondContact O-N 3.35Å; M388-T392 WeakPolarHBondContact O-CB 3.31Å; M388-T392 PolarHBondContact O-N 2.99Å; M388-T392 PolarHBondContact O-OG1 3.27Å
389Q97.3Very high95.6Very high120 Ų12098.3 Ų98.356%0.56149%0.488SS*.Hα-helixtrans-62.3-51.6170-179.1176.5-24.800110.5Y385 A386 K391 T392 E393Y385-Q389 PolarHBondContact O-N 3.24Å; A386-Q389 WeakPolarHBondContact O-CB 3.43Å; A386-Q389 PolarHBondContact O-N 2.99Å; Q389-K391 VanDerWaalsContact C-N 3.3Å; Q389-K391 PolarHBondContact O-N 3.1Å; Q389-T392 WeakPolarHBondContact O-CA 3.3Å; Q389-T392 WeakPolarHBondContact O-CB 3.3Å; Q389-T392 PolarHBondContact O-N 3.01Å; Q389-E393 HydrophobicContact CG-CG 4.33Å; Q389-E393 WeakPolarHBondContact CG-OE1 3.49Å; Q389-E393 PolarHBondContact NE2-OE1 3.15Å; Q389-E393 PolarHBondContact O-N 3.03Å
390D96.2Very high95.3Very high101 Ų101101 Ų10154%0.5449%0.49SS..Hα-helixtrans-51.3-47.4-179.7-71.4-35.8000112.6A386 T392 E393 E394A386-D390 PolarHBondContact O-N 2.78Å; D390-T392 VanDerWaalsContact C-N 3.32Å; D390-T392 PolarHBondContact O-N 3.2Å; D390-E393 PolarHBondContact O-N 3.24Å; D390-E394 WeakPolarHBondContact O-CB 3.46Å; D390-E394 PolarHBondContact O-N 3.02Å
391K95.9Very high94.9Very high133 Ų133102.9 Ų102.958%0.57849%0.492SS*.Hα-helixtrans-69-31.4-179.4-69.1168-165.6138.10112.5M387 Q389 G395M387-K391 WeakPolarHBondContact O-CD 3.02Å; M387-K391 VanDerWaalsContact O-CE 3.28Å; M387-K391 WeakPolarHBondContact O-CE 3.34Å; M387-K391 VanDerWaalsContact O-CG 3.25Å; M387-K391 WeakPolarHBondContact O-CG 3.41Å; M387-K391 PolarHBondContact O-NZ 3.38Å; M387-K391 VanDerWaalsContact O-NZ 3.15Å; Q389-K391 VanDerWaalsContact C-N 3.3Å; Q389-K391 PolarHBondContact O-N 3.1Å; K391-G395 PolarHBondContact O-N 3.47Å
392T95.7Very high94.3Very high94 Ų94101.6 Ų101.658%0.57749%0.49SS*.Hα-helixtrans-72.2-46.6176.2-54.30000109.9M388 Q389 D390 E394 G395 E396M388-T392 WeakPolarHBondContact O-CB 3.31Å; M388-T392 PolarHBondContact O-N 2.99Å; M388-T392 PolarHBondContact O-OG1 3.27Å; Q389-T392 WeakPolarHBondContact O-CA 3.3Å; Q389-T392 WeakPolarHBondContact O-CB 3.3Å; Q389-T392 PolarHBondContact O-N 3.01Å; D390-T392 VanDerWaalsContact C-N 3.32Å; D390-T392 PolarHBondContact O-N 3.2Å; T392-E394 PolarHBondContact O-N 2.87Å; T392-G395 PolarHBondContact O-N 3Å; T392-E396 PolarHBondContact O-N 3.47Å
393E94.9Very high93.7Very high68 Ų68105.4 Ų105.432%0.31850%0.497SS..Hα-helixtrans-62.8-39.9173.8-73.2-165-13700112.5Q389 D390 E396 R397Q389-E393 HydrophobicContact CG-CG 4.33Å; Q389-E393 WeakPolarHBondContact CG-OE1 3.49Å; Q389-E393 PolarHBondContact NE2-OE1 3.15Å; Q389-E393 PolarHBondContact O-N 3.03Å; D390-E393 PolarHBondContact O-N 3.24Å; E393-E396 PolarHBondContact O-N 3.21Å; E393-R397 WeakPolarHBondContact O-CB 3.35Å; E393-R397 WeakPolarHBondContact O-CD 3.41Å; E393-R397 WeakPolarHBondContact O-CG 3.4Å; E393-R397 PolarHBondContact O-N 3.31Å; E393-R397 IonicContact OE2-CZ 3.82Å; E393-R397 IonicContact OE2-NE 2.77Å; E393-R397 IonicContact OE2-NH2 3.63Å; E393-R397 PolarHBondContact OE2-NH2 3.19Å
394E92.5Very high92.8Very high108 Ų108110.2 Ų110.251%0.50552%0.519SS..Hα-helixtrans-65.5-44.1175.6-154.3-157.8153.900111.1D390 T392 E396 R397 Q398D390-E394 WeakPolarHBondContact O-CB 3.46Å; D390-E394 PolarHBondContact O-N 3.02Å; T392-E394 PolarHBondContact O-N 2.87Å; E394-E396 VanDerWaalsContact C-N 3.29Å; E394-E396 PolarHBondContact O-N 3.32Å; E394-R397 PolarHBondContact O-N 3.08Å; E394-R397 VanDerWaalsContact O-N 3.16Å; E394-Q398 WeakPolarHBondContact O-CB 3.43Å; E394-Q398 VanDerWaalsContact O-CG 3.28Å; E394-Q398 WeakPolarHBondContact O-CG 3.38Å; E394-Q398 PolarHBondContact O-N 2.85Å; E394-Q398 PolarHBondContact OE1-NE2 3.45Å
395G90.6Very high91.8Very high35 Ų35111.5 Ų111.536%0.36153%0.53SS..Hα-helixtrans-57.8-40.4173.600000112.7K391 T392 K399K391-G395 PolarHBondContact O-N 3.47Å; T392-G395 PolarHBondContact O-N 3Å; G395-K399 VanDerWaalsContact O-CB 3.27Å; G395-K399 WeakPolarHBondContact O-CB 3.4Å; G395-K399 PolarHBondContact O-N 3.05Å
396E91.8Very high90.1Very high91 Ų91107.6 Ų107.643%0.42553%0.534SS..Hα-helixtrans-64.4-48.3171-83-139-169.600113.1T392 E393 E394 Q398 K399 R400T392-E396 PolarHBondContact O-N 3.47Å; E393-E396 PolarHBondContact O-N 3.21Å; E394-E396 VanDerWaalsContact C-N 3.29Å; E394-E396 PolarHBondContact O-N 3.32Å; E396-Q398 VanDerWaalsContact C-N 3.27Å; E396-Q398 PolarHBondContact O-N 3.14Å; E396-K399 PolarHBondContact O-N 2.99Å; E396-K399 VanDerWaalsContact O-N 3.13Å; E396-R400 WeakPolarHBondContact O-CB 3.39Å; E396-R400 VanDerWaalsContact O-CG 3.28Å; E396-R400 WeakPolarHBondContact O-CG 3.19Å; E396-R400 PolarHBondContact O-N 3.09Å; E396-R400 IonicContact OE2-CZ 3.14Å; E396-R400 IonicContact OE2-NE 2.69Å; E396-R400 PolarHBondContact OE2-NE 3.43Å; E396-R400 IonicContact OE2-NH2 2.89Å; E396-R400 PolarHBondContact OE2-NH2 3.39Å
397R91.7Very high88.3Confident141 Ų141110.4 Ų110.453%0.53255%0.546SS..Hα-helixtrans-60.2-39178.5-68.4161-168.5-155.86.5110.6E393 E394 R401E393-R397 WeakPolarHBondContact O-CB 3.35Å; E393-R397 WeakPolarHBondContact O-CD 3.41Å; E393-R397 WeakPolarHBondContact O-CG 3.4Å; E393-R397 PolarHBondContact O-N 3.31Å; E393-R397 IonicContact OE2-CZ 3.82Å; E393-R397 IonicContact OE2-NE 2.77Å; E393-R397 IonicContact OE2-NH2 3.63Å; E393-R397 PolarHBondContact OE2-NH2 3.19Å; E394-R397 PolarHBondContact O-N 3.08Å; E394-R397 VanDerWaalsContact O-N 3.16Å; R397-R401 WeakPolarHBondContact O-CB 3.47Å; R397-R401 VanDerWaalsContact O-CG 3.24Å; R397-R401 WeakPolarHBondContact O-CG 3.47Å; R397-R401 PolarHBondContact O-N 2.89Å
398Q89.1Confident86Confident105 Ų105109.5 Ų109.549%0.49155%0.554SS.*Hα-helixtrans-66.1-44.8172.5-69.8178.91900111.9E394 E396 R401 A402E394-Q398 WeakPolarHBondContact O-CB 3.43Å; E394-Q398 VanDerWaalsContact O-CG 3.28Å; E394-Q398 WeakPolarHBondContact O-CG 3.38Å; E394-Q398 PolarHBondContact O-N 2.85Å; E394-Q398 PolarHBondContact OE1-NE2 3.45Å; E396-Q398 VanDerWaalsContact C-N 3.27Å; E396-Q398 PolarHBondContact O-N 3.14Å; Q398-R401 PolarHBondContact O-N 3.27Å; Q398-A402 WeakPolarHBondContact O-CB 3.34Å; Q398-A402 PolarHBondContact O-N 2.9Å
399K90.4Very high83.8Confident128 Ų128110.9 Ų110.956%0.55757%0.57SS**Hα-helixtrans-63.2-40.1176.4-175.1179.3-179.5-177.50112.7G395 E396 A402 R403G395-K399 VanDerWaalsContact O-CB 3.27Å; G395-K399 WeakPolarHBondContact O-CB 3.4Å; G395-K399 PolarHBondContact O-N 3.05Å; E396-K399 PolarHBondContact O-N 2.99Å; E396-K399 VanDerWaalsContact O-N 3.13Å; K399-A402 PolarHBondContact O-N 3.29Å; K399-R403 WeakPolarHBondContact O-CG 3.33Å; K399-R403 PolarHBondContact O-N 3.48Å; K399-R403 VanDerWaalsContact O-N 3.11Å
400R90.9Very high81.4Confident154 Ų154113.1 Ų113.158%0.58158%0.58SS**Hα-helixtrans-63.7-45.5173.2-68.1173.8-166-143.38.1110.4E396 R403 L404E396-R400 WeakPolarHBondContact O-CB 3.39Å; E396-R400 VanDerWaalsContact O-CG 3.28Å; E396-R400 WeakPolarHBondContact O-CG 3.19Å; E396-R400 PolarHBondContact O-N 3.09Å; E396-R400 IonicContact OE2-CZ 3.14Å; E396-R400 IonicContact OE2-NE 2.69Å; E396-R400 PolarHBondContact OE2-NE 3.43Å; E396-R400 IonicContact OE2-NH2 2.89Å; E396-R400 PolarHBondContact OE2-NH2 3.39Å; R400-R403 PolarHBondContact O-N 3.24Å; R400-L404 WeakPolarHBondContact O-CG 3.21Å; R400-L404 PolarHBondContact O-N 3.38Å
401R90.1Very high79Confident168 Ų168113.5 Ų113.563%0.63459%0.588SS**Hα-helixtrans-60.2-44.1173.3-74.1168.9-179.9177.90.9112.8R397 Q398 R403 L404 L405R397-R401 WeakPolarHBondContact O-CB 3.47Å; R397-R401 VanDerWaalsContact O-CG 3.24Å; R397-R401 WeakPolarHBondContact O-CG 3.47Å; R397-R401 PolarHBondContact O-N 2.89Å; Q398-R401 PolarHBondContact O-N 3.27Å; R401-R403 VanDerWaalsContact C-N 3.32Å; R401-R403 PolarHBondContact O-N 3.01Å; R401-L404 PolarHBondContact O-N 3.09Å; R401-L405 WeakPolarHBondContact O-CD1 3.35Å; R401-L405 PolarHBondContact O-N 2.95Å
402A85.6Confident76.3Confident51 Ų51112.6 Ų112.642%0.42160%0.598SS.*Hα-helixtrans-63.6-36.117900000113Q398 K399 T407Q398-A402 WeakPolarHBondContact O-CB 3.34Å; Q398-A402 PolarHBondContact O-N 2.9Å; K399-A402 PolarHBondContact O-N 3.29Å; A402-T407 PolarHBondContact O-N 3.07Å
403R85.8Confident74Confident182 Ų182115.2 Ų115.269%0.68761%0.609SS**Hα-helixtrans-64.4-48170.7-74.2173.5167.6-173.3-7.2111.7K399 R400 R401 L405 G406K399-R403 WeakPolarHBondContact O-CG 3.33Å; K399-R403 PolarHBondContact O-N 3.48Å; K399-R403 VanDerWaalsContact O-N 3.11Å; R400-R403 PolarHBondContact O-N 3.24Å; R401-R403 VanDerWaalsContact C-N 3.32Å; R401-R403 PolarHBondContact O-N 3.01Å; R403-L405 VanDerWaalsContact C-N 3.32Å; R403-L405 PolarHBondContact O-N 3.37Å; R403-G406 PolarHBondContact O-N 3.32Å; R403-G406 VanDerWaalsContact O-N 3.08Å
404L79.6Confident71.6Confident148 Ų148117 Ų11778%0.77563%0.626SS**Hα-helixtrans-65.9-30.6179.8-69.7169.4000113.4R400 R401 G406R400-L404 WeakPolarHBondContact O-CG 3.21Å; R400-L404 PolarHBondContact O-N 3.38Å; R401-L404 PolarHBondContact O-N 3.09Å; L404-G406 PolarHBondContact O-N 3.2Å
405L77.9Confident69.3Low133 Ų133118 Ų11870%0.69664%0.642SS**THydrogen-bonded Turntrans-80.910.2173.5-91.567.4000113.3R401 R403 T407R401-L405 WeakPolarHBondContact O-CD1 3.35Å; R401-L405 PolarHBondContact O-N 2.95Å; R403-L405 VanDerWaalsContact C-N 3.32Å; R403-L405 PolarHBondContact O-N 3.37Å; L405-T407 PolarHBondContact O-N 3.34Å; L405-T407 PolarHBondContact O-OG1 2.93Å
406G63Low67Low62 Ų62126 Ų12664%0.63967%0.667SS**THydrogen-bonded Turntrans61.99.4175.300000115R403 L404 A408R403-G406 PolarHBondContact O-N 3.32Å; R403-G406 VanDerWaalsContact O-N 3.08Å; L404-G406 PolarHBondContact O-N 3.2Å; G406-A408 PolarHBondContact O-N 3.18Å
407T59.3Low64.5Low106 Ų106126.2 Ų126.265%0.6568%0.684SS**  trans-88.640.9-172.6-37.90000111.2A402 L405A402-T407 PolarHBondContact O-N 3.07Å; L405-T407 PolarHBondContact O-N 3.34Å; L405-T407 PolarHBondContact O-OG1 2.93Å
408A50.1Low61.9Low76 Ų76124.6 Ų124.663%0.62870%0.695SS**PPolyproline II helixtrans-70.8130.6166.800000108.5G406 Q410G406-A408 PolarHBondContact O-N 3.18Å; A408-Q410 PolarHBondContact O-N 2.86Å
409P50.9Low59.5Low124 Ų124125.1 Ų125.181%0.80571%0.71SS**PPolyproline II helixtrans-57.3127.2163.1-19.832.3000108.4
410Q47.3Very low56.7Low167 Ų167127.6 Ų127.678%0.7872%0.723SS**PPolyproline II helixtrans-51.9137165.6-85-76.5-21.900108.8A408 S412A408-Q410 PolarHBondContact O-N 2.86Å; Q410-S412 PolarHBondContact O-N 3.46Å
411P45.9Very low54.3Low110 Ų110125.9 Ų125.971%0.71474%0.735SS**  trans-60.7105.5167.426.7-32.7000107.5D413P411-D413 PolarHBondContact O-N 3.34Å
412S39.8Very low51.5Low113 Ų113121.5 Ų121.579%0.7974%0.742SS**  trans-73.396.9-179.257.40000109.1Q410Q410-S412 PolarHBondContact O-N 3.46Å
413D46.4Very low49.2Very low150 Ų150129 Ų12980%0.80277%0.768SS**  trans-48.2142166.1-90.1-45.1000110.4P411P411-D413 PolarHBondContact O-N 3.34Å
414P45.9Very low46.6Very low104 Ų104123.7 Ų123.768%0.67577%0.77SS**  trans-63.1141.2-169.824.3-34000111.9K416P414-K416 PolarHBondContact O-N 2.85Å
415P44Very low45.4Very low129 Ų129122.8 Ų122.884%0.83877%0.773SS**  trans-7094-170.828.2-35.8000112.1A417P415-A417 PolarHBondContact O-N 3.07Å
416K40.8Very low43.5Very low205 Ų205122.5 Ų122.589%0.89178%0.782SS**  trans-77.586.6172-161171.3-171.31750109.9P414 S418P414-K416 PolarHBondContact O-N 2.85Å; K416-S418 PolarHBondContact O-N 3.36Å
417A40.3Very low42Very low94 Ų94122.4 Ų122.478%0.77778%0.781SS**  trans-60.4127.4-176.100000112.8P415P415-A417 PolarHBondContact O-N 3.07Å
418S36Very low40.9Very low108 Ų108126.6 Ų126.676%0.75580%0.796SS**  trans-81.6149.7151.2-59.40000107.8K416K416-S418 PolarHBondContact O-N 3.36Å
419S38.8Very low40.1Very low115 Ų115127.2 Ų127.280%0.80480%0.801SS**  -172.4171.182.4-65.50000112.8
420E33.3Very low39.4Very low180 Ų180126.3 Ų126.384%0.84180%0.797SS**  trans88.983152.3-155.3150.7-148.500119.8
421S38.9Very low38.7Very low119 Ų119126.2 Ų126.283%0.83280%0.797SS**  60.7121.5121.7-52.70000121.8
422G33.1Very low37.8Very low75 Ų75128.5 Ų128.577%0.77380%0.798SS**  trans-179.468.6166.600000117.3
423E35.7Very low37.2Very low209 Ų209128.3 Ų128.398%0.97780%0.795SS**  trans54.4173.8161.9-63.1-172.797.500119.5
424G32.7Very low37.4Very low70 Ų70126.2 Ų126.272%0.72279%0.79SS**  trans-116.4-159.3-176.500000113.2
425P54.1Low36.6Very low129 Ų129126.9 Ų126.984%0.83879%0.793SS**  cis-133.6179.812.642.7-26.8000116.5
426S38Very low35.8Very low128 Ų128127.2 Ų127.290%0.89579%0.792SS**  trans78.7126.6165.5-162.90000117.8
427G30.9Very low35.5Very low60 Ų60122.3 Ų122.362%0.61978%0.784SS**  cis166.5157.4-8.900000114.5
428M35Very low35.3Very low194 Ų194127.8 Ų127.896%0.95679%0.79SS**  trans66.3151.9174.4-57.31736700115.2
429A34.4Very low35.1Very low88 Ų88127.5 Ų127.573%0.72779%0.794SS**  cis-175.4167.1-18.300000105.9
430S36.2Very low35.1Very low105 Ų105130.9 Ų130.973%0.73480%0.797SS**  cis-171.2164.2-7-1080000106.1
431Q32.8Very low35.3Very low165 Ų165129.4 Ų129.477%0.77180%0.8SS**  cis-162.6178.8-7.1177.5162.1-7.900109
432E27.5Very low35.4Very low158 Ų158130.5 Ų130.574%0.73880%0.797SS**  trans-57135.5-178.1-68.9171.99800120.1
433C25.6Very low35.8Very low109 Ų109134.4 Ų134.474%0.73680%0.8SS**  65.2179.8116.6-46.80000120.8
434P52.1Low36.1Very low106 Ų106131 Ų13169%0.68879%0.789SS**  -147-169.7-92.546.2-26.3000118.5
435T27.6Very low36.6Very low119 Ų119133.9 Ų133.973%0.7379%0.788SS**  trans80.4145.1148.154.10000124.1
436T28.8Very low36Very low136 Ų136134.4 Ų134.483%0.83478%0.784SS**  trans75.8145.616267.70000118.2
437S33.8Very low36.1Very low102 Ų102135 Ų13571%0.71378%0.776SS**  cis-165.8162.1-0.738.10000113.8
438K36.3Very low36.5Very low209 Ų209139.1 Ų139.191%0.90978%0.784SS**  trans60.8130.6151.1-79.1-170.1171.8-157.70121.7
439A32.3Very low36.7Very low101 Ų101136.7 Ų136.784%0.83578%0.775SS**  -168.817012000000111
440E37.8Very low37.1Very low187 Ų187139.4 Ų139.487%0.87478%0.778SS**  trans-130.9157.4179.3-66.1164.4177.200109.6
441T37.3Very low37.3Very low148 Ų148141.6 Ų141.691%0.90878%0.781SS**  trans-167.6143.2155.710000110.8
442D42Very low37.4Very low143 Ų143141.5 Ų141.577%0.76579%0.786SS**  trans-85.5165.1172.8-56.8-64.9000112.1
443D39.8Very low37.9Very low156 Ų156143.8 Ų143.883%0.83480%0.797SS**  -175.8100.7115-97.5-0.8000110.8
444D43.6Very low38.7Very low138 Ų138145.8 Ų145.874%0.73880%0.8SS**  trans46.7145134.6-65.6-3.3000126.7
445D41.7Very low37.8Very low131 Ų131147.1 Ų147.170%0.70180%0.801SS**  trans79.4101.5144.4-63.4-1.1000125
446D43.1Very low38.3Very low140 Ų140148.9 Ų148.975%0.74980%0.801SS**  88.2142.4116.6-74.3-3.4000126.7
447D39.1Very low38.6Very low139 Ų139150.5 Ų150.574%0.74380%0.799SS**  trans67.4104.6154-68.7-2.3000124.5
448D38.7Very low38.7Very low147 Ų147149.9 Ų149.979%0.78680%0.795SS**  51125.1122.3-733.6000124.9
449D40.8Very low38.7Very low143 Ų143147.5 Ų147.577%0.76579%0.787SS**  trans51.3130.8139.4-76-6.2000125
450D41.3Very low38.8Very low146 Ų146151.6 Ų151.678%0.78179%0.789SS**  trans70.8143.3145.9-76.4-15.1000123.2
451D42Very low38.7Very low151 Ų151151 Ų15181%0.80779%0.786SS**  trans47.4101163.5-73.8-15000120.1
452D33.9Very low38.7Very low162 Ų162152.8 Ų152.887%0.86678%0.784SS**  trans-157.7102.2137.5-105.4-24.5000110.8
453E39.2Very low38.3Very low207 Ų207154.4 Ų154.497%0.96779%0.787SS**  trans-120.374.6162.5-100.1-165.9-173.300109.2
454D40.8Very low37.9Very low151 Ų151155.5 Ų155.581%0.80779%0.787SS**  trans-135.6106.7165.2-111.1-23.8000107.6
455N33.5Very low37.6Very low133 Ų133158 Ų15871%0.71179%0.794SS**  trans-166.4146.5130.6-134.639.9000115.6
456E38.1Very low37.2Very low156 Ų156160.7 Ų160.773%0.72980%0.803SS**  trans-10.5160.5142.5-54.7162.2162.100118.7
457E35.9Very low36.8Very low171 Ų171161.7 Ų161.780%0.79980%0.803SS**  cis-179.4-176.6-21.8-161.1162.5-130.600106.3
458S34.8Very low36.9Very low88 Ų88164.5 Ų164.562%0.61581%0.811SS**  trans68148.8163.3-62.10000118.6
459E36.3Very low36.6Very low160 Ų160165.4 Ų165.475%0.74881%0.808SS**  cis-163.8-158-18.5-124.3147.9-104.700110.2
460E34.3Very low36.2Very low186 Ų186167.1 Ų167.187%0.86981%0.812SS**  trans79.5114.3-177.8-59.9179-161.100113.6
461E35.8Very low35.8Very low176 Ų176164.8 Ų164.882%0.82281%0.813SS**  cis57.9144.317.3-52.7-168.9170.300114
462E37Very low35.5Very low185 Ų185163.4 Ų163.486%0.86481%0.81SS**  cis-104.2179.6-6.4-56.8163.4121.300109.5
463E34.2Very low35.6Very low177 Ų177164.4 Ų164.483%0.82781%0.809SS**  cis-128.3-141.5-3.2-143.8-176.5134.600106.7
464E31.4Very low35.5Very low179 Ų179160.9 Ų160.984%0.83680%0.797SS**  cis-140.51642.5-64.1173107.700107.4
465E37Very low35.6Very low190 Ų190162.5 Ų162.589%0.88880%0.8SS**  trans-125.4-160.4175-63.8-167.8137.500113.4
466E34Very low35.8Very low188 Ų188163.4 Ų163.488%0.87981%0.805SS**  trans77.6133.9-174-54.7-165.6167.800115.9
467E35.4Very low35.9Very low160 Ų160164.3 Ų164.375%0.74881%0.809SS**  cis-127.3129.34.3-64.7-175.9105.800112.6
468E39.3Very low36.3Very low198 Ų198163.7 Ų163.793%0.92581%0.811SS**  trans-98.2112.5149.7-87.7-159.4149.900109
469K33.9Very low36.7Very low166 Ų166165 Ų16572%0.72281%0.811SS**  trans-144.6126.8160.1-75.2-162.4-179.9115.30113.6
470E32.7Very low37Very low180 Ų180166.4 Ų166.484%0.84182%0.817SS**  trans47.597.2145.2-63.7179.4-171.500119
471A32.8Very low37.3Very low97 Ų97166.5 Ų166.580%0.80282%0.818SS**  trans-149.853.2142.600000110.8E473A471-E473 PolarHBondContact O-N 3.47Å
472T34.3Very low37.5Very low122 Ų122166.3 Ų166.375%0.74882%0.822SS**  trans-79.889.7161480000108
473E35.9Very low37.5Very low182 Ų182166.6 Ų166.685%0.8582%0.823SS**  trans-90.9116.2166.9-68.1-171150.900108.9A471 E475A471-E473 PolarHBondContact O-N 3.47Å; E473-E475 PolarHBondContact O-N 3.33Å
474D38.3Very low37.4Very low133 Ų133167.8 Ų167.871%0.71183%0.828SS**  trans-78.5114.6-175.9-63.6-74.7000111.9
475E42.5Very low37.4Very low185 Ų185166.6 Ų166.686%0.86483%0.828SS**  trans-97.216.9170.9-76.7-161.1149.500113.4E473E473-E475 PolarHBondContact O-N 3.33Å
476D38.6Very low37.6Very low153 Ų153167.1 Ų167.182%0.81883%0.831SS**  trans-97.41.4-179.1-90.8-40.6000114.4D478D476-D478 PolarHBondContact O-N 3.48Å
477E39.8Very low37.5Very low174 Ų174161.9 Ų161.981%0.81383%0.827SS**  trans-76.5-17.3-174.2-68.8-153.3139.100116.3L479E477-L479 VanDerWaalsContact C-N 3.31Å; E477-L479 PolarHBondContact O-N 3.17Å; E477-L479 VanDerWaalsContact O-N 3.12Å
478D44.3Very low37.3Very low158 Ų158157.5 Ų157.585%0.84582%0.824SS**THydrogen-bonded Turntrans-88.837.5-171.6-164.132.7000114.7D476D476-D478 PolarHBondContact O-N 3.48Å
479L43Very low37Very low116 Ų116155.8 Ų155.861%0.60782%0.822SS**THydrogen-bonded Turntrans-136.5-8.3177.9-76-177.4000117E477E477-L479 VanDerWaalsContact C-N 3.31Å; E477-L479 PolarHBondContact O-N 3.17Å; E477-L479 VanDerWaalsContact O-N 3.12Å
480E41.8Very low37.1Very low189 Ų189157 Ų15788%0.88383%0.83SS**  trans-115.773.2-178.8-62.1-153.6156.200112.8
481Q40.6Very low37.2Very low188 Ų188157.5 Ų157.588%0.87983%0.832SS**  trans-144.738.2176-147.3169.3102.900115.1
482L41.3Very low37.4Very low172 Ų172161.6 Ų161.690%0.90184%0.835SS**SBendtrans-142.331.4172.2-85.4-172.5000115.4
483Q36.1Very low37.5Very low192 Ų192164.4 Ų164.490%0.89784%0.839SS**  trans-166.4101.5158.5-117.7164.3-6.500113.2
484E32.9Very low37.2Very low201 Ų201159.9 Ų159.994%0.93984%0.841SS**  175.9110.4124.5-97.5176.3-164.600110.8
485D30.2Very low36.9Very low155 Ų155157.2 Ų157.283%0.82985%0.846SS**  trans-144.599.9159.8-177.916.2000107.2
486Q41.9Very low36.5Very low201 Ų201156.1 Ų156.194%0.93985%0.845SS**  trans-166.9117.4173.6-132.1159.1114.300112.2
487G31.4Very low36.4Very low78 Ų78155.5 Ų155.580%0.80484%0.842SS**  trans127.4123.6172.200000112.8
488G31.2Very low36.3Very low67 Ų67155.6 Ų155.669%0.69184%0.843SS**  cis170.3169.6-3.500000113.1
489D34Very low35.7Very low163 Ų163151.6 Ų151.687%0.87284%0.839SS**  trans60.1158.6167.3-52-16.9000117.7
490E36Very low35.2Very low191 Ų191152.6 Ų152.689%0.89385%0.845SS**  cis-92.6-142.8-4.9-52.4-177.184.600109.6
491E35.1Very low34.8Very low191 Ų191151.4 Ų151.489%0.89384%0.839SS**  cis-129.5-137.75.4-63.2179.186.800110
492E36.7Very low34.3Very low183 Ų183147.2 Ų147.286%0.85583%0.831SS**  trans-122.6178.8-178.1-56.5-171.1125.500110.8
493E35.9Very low33.8Very low181 Ų181143.9 Ų143.985%0.84682%0.822SS**  cis-141.2155.613.2-72.8-174.3108.400112.5
494G30.4Very low33.3Very low86 Ų86141.7 Ų141.789%0.88782%0.821SS**  61.3134.2123.100000122.8
495G31Very low33.3Very low78 Ų78137.3 Ų137.380%0.80481%0.813SS**  trans141.2103.1151.500000116.9
496D34Very low34Very low161 Ų161135.4 Ų135.486%0.86181%0.809SS**  trans-43149.2164.3-41.9-54000112.8
497N37Very low33.3Very low141 Ų141130.4 Ų130.475%0.75480%0.797SS**  -176.8178.467.7-166.129.1000113.4
498E37Very low33.1Very low176 Ų176132.8 Ų132.882%0.82279%0.791SS**  trans-59.9160.6177.4-52.5169.7129.300116.3
499G32Very low32.8Very low74 Ų74137.4 Ų137.476%0.76379%0.792SS**  trans142.4109.4132.900000120.6
500N32.8Very low32.5Very low136 Ų136138.2 Ų138.273%0.72779%0.788SS**  trans67.396.8140.6-114.269.7000123.9
501E32.4Very low32.2Very low165 Ų165135.8 Ų135.877%0.77178%0.777SS**  49.8131.3118.1-56.2179.2146.400123.8
502S31.1Very low31.8Very low100 Ų100136.1 Ų136.170%0.69977%0.77SS**  trans80.7100.8135.2-167.80000121.9
503S30.8Very low31.4Very low101 Ų101138.2 Ų138.271%0.70677%0.77SS**  40.5119.4115-34.60000120.4
504T26.3Very low31.1Very low146 Ų146136.3 Ų136.390%0.89677%0.765SS**  179.9149.711025.50000114.2
505S31.4Very low31Very low109 Ų109138.2 Ų138.276%0.76277%0.765SS**  trans-111.3176.3152.9-46.40000107.4
506P46.2Very low31.3Very low116 Ų116143.5 Ų143.575%0.75377%0.769SS**  cis-143.9-1679.641.2-19.5000116.1
507S27.1Very low31.7Very low96 Ų96141.4 Ų141.467%0.67176%0.764SS**  trans77.2128.8142-88.60000124.6
508D26.3Very low31.5Very low128 Ų128138.9 Ų138.968%0.68476%0.763SS**  trans75.895.2131.3-57.5-41.6000124.5
509F24.6Very low31.2Very low164 Ų164140 Ų14072%0.71977%0.768SS**  69130.1117.4-91.8-75.7000125
510F28.7Very low31Very low180 Ų180140.1 Ų140.179%0.78977%0.769SS**  trans71.1153.3165.9-52.3-66.4000116.9
511H28.6Very low31Very low140 Ų140141.8 Ų141.865%0.64878%0.777SS**  cis-156.7141.518.8-164.355.6000114.3
512R26.6Very low30.9Very low198 Ų198145.4 Ų145.475%0.74778%0.784SS**  trans57.5113.6146.4-177.2-162.5-70.3-112.30.8121.8
513R29.4Very low30.9Very low226 Ų226147.1 Ų147.185%0.85379%0.79SS**  -172.9142.5113.4-165.1169.9-64.2-169.82.2114.1
514N30.2Very low31.6Very low141 Ų141147.5 Ų147.575%0.75479%0.79SS**  trans-32.8141.3-179-41.45.3000120.2
515S28.3Very low31.6Very low127 Ų127149.8 Ų149.889%0.88879%0.79SS**  -171.1166.2115.8-74.50000111.5
516E36.1Very low31.5Very low189 Ų189148 Ų14888%0.88379%0.789SS**  trans-84.2179.3-170.2-62.1173.798.900114.2
517P43.7Very low30.8Very low117 Ų117150.9 Ų150.976%0.7679%0.793SS**  cis-133.5162.2029.1-6.6000118.6
518A31.2Very low30.9Very low88 Ų88152.9 Ų152.973%0.72779%0.791SS**  trans41.6100.6153.100000119.4
519E30.8Very low31.2Very low200 Ų200154.8 Ų154.894%0.93579%0.794SS**  67.4134.659.5-57.5-168.5167.300115.8
520G27.9Very low31.5Very low75 Ų75159 Ų15977%0.77381%0.805SS**  cis158.1121.8-6.900000113.2
521L33.1Very low31.5Very low171 Ų171153.6 Ų153.690%0.89580%0.8SS**  trans-88.8123.3177.6-89.784.4000113
522R30.1Very low31.7Very low242 Ų242155 Ų15591%0.91381%0.812SS**  157.1129.7125.5-85.7172.9-166.6-134.53.7112.2
523T31.6Very low31.8Very low136 Ų136151.3 Ų151.383%0.83481%0.811SS**  trans-79.8152.5156.811.60000110.2
524P46.2Very low31.7Very low108 Ų108149.4 Ų149.470%0.70181%0.812SS**  -152.9172.792.641.7-23.7000117.5
525E26.8Very low31.7Very low194 Ų194149 Ų14991%0.90781%0.814SS**  trans62.2148.7158-70.4-179.2140.500121.6
526G27.9Very low32.6Very low71 Ų71148.8 Ų148.873%0.73281%0.81SS**  trans173.8-18.316700000126.9
527Q30.9Very low32.2Very low178 Ų178144 Ų14483%0.83280%0.803SS**  trans61.6135176.2-45.3178.13.900120.8
528Q29.9Very low31.7Very low138 Ų138143.9 Ų143.965%0.64581%0.805SS**  153.7115.7111.6-77-158.847.500117.2
529K32.9Very low32.6Very low168 Ų168145.3 Ų145.373%0.7381%0.807SS**  trans54.2118.7135.6-54.5171.2-175.4154.20122.9
530R31.3Very low33.4Very low251 Ų251141.8 Ų141.895%0.94780%0.801SS**  165.3154.5107.4-91.3-175.1-174.8-109.82.3114.8
531G27.3Very low33.5Very low67 Ų67141.6 Ų141.669%0.69180%0.799SS**  trans97.2119.5172.600000113
532L34.2Very low33.3Very low171 Ų171139 Ų13990%0.89580%0.802SS**  cis60.3120.548.7-53.9177000111.3
533T27.7Very low33.3Very low120 Ų120132.5 Ų132.574%0.73679%0.794SS**  cis-152.5159.342.841.90000116.4
534E27.9Very low33.2Very low185 Ų185134.3 Ų134.386%0.86480%0.798SS**  trans67.6136.8145-71.8172.3157.600124.1
535T29.8Very low32.4Very low132 Ų132136.4 Ų136.481%0.8180%0.803SS**  trans-129.3159.7165.7-16.50000106.6
536P47.4Very low34Very low123 Ų123132.3 Ų132.380%0.79979%0.794SS**  -148-167.380.143-23.3000111.8
537A27Very low34.8Very low90 Ų90135 Ų13574%0.74480%0.798SS**  cis-153.6163.99.100000112.8
538S34.7Very low34.8Very low114 Ų114131.7 Ų131.780%0.79779%0.794SS**  trans-106.3-163.5155.9-36.30000108.2
539P49.8Very low34.9Very low117 Ų117131.6 Ų131.676%0.7680%0.804SS**  cis-133.2-139.11342.1-19.7000111
540P47.7Very low34.7Very low127 Ų127131.1 Ų131.183%0.82581%0.809SS**  cis-104.8-165.2-46.539.2-24.8000110.6
541G30Very low34.8Very low71 Ų71124 Ų12473%0.73280%0.803SS**  cis142.1178-8.800000113.7
542A29.1Very low34.9Very low115 Ų115129.8 Ų129.895%0.9581%0.813SS**  trans81159.3176.900000118.9
543S28.7Very low34.7Very low107 Ų107126.6 Ų126.675%0.74881%0.805SS**  trans-134.4164.3-158.854.80000113.6
544L30Very low34.8Very low173 Ų173126.5 Ų126.591%0.90681%0.809SS**  179.6166.5127.9-97.2165.7000113.2
545D30.5Very low34.9Very low152 Ų152121.6 Ų121.681%0.81381%0.808SS**  trans-94.2172.1-173-95.7-53.1000114.1
546P59.7Low35Very low109 Ų109123.2 Ų123.271%0.70881%0.806SS**  trans-94.6-178.9-160.838.8-39.4000115.4
547P44.9Very low34.1Very low126 Ų126124.3 Ų124.382%0.81880%0.801SS**  trans-133.2164.2136.938.8-28.8000114.2
548S30.4Very low34.2Very low109 Ų109127 Ų12776%0.76280%0.802SS**  trans-86.6158.1173.757.10000113.5
549T32Very low33.9Very low137 Ų137129.5 Ų129.584%0.8481%0.806SS**  trans-150.2155.8143.439.10000110.7
550D29.5Very low32.8Very low157 Ų157132.2 Ų132.284%0.8481%0.808SS**  trans-79177-173.3-44.1-102000114.6
551A32Very low32.4Very low101 Ų101130.5 Ų130.584%0.83580%0.797SS**  trans134.2138.813500000115.3
552E30Very low32.1Very low190 Ų190134 Ų13489%0.88880%0.798SS**  trans-72.5160.8179.1-53.4155.996.300112.6
553S30Very low32.1Very low104 Ų104136.4 Ų136.473%0.72779%0.794SS**  161.1131.7117-171.20000113.7
554S30.8Very low31.9Very low117 Ų117134.4 Ų134.482%0.81879%0.791SS**  trans32.5133.8139.9-36.40000121.7
555G28.7Very low31.9Very low83 Ų83134.7 Ų134.786%0.85679%0.793SS**  trans175.361.1168.600000118.3
556E31.3Very low31.7Very low165 Ų165136.6 Ų136.677%0.77180%0.797SS**  trans-14.5156.1164.8-70.3-167.678.100124.1
557Q29.7Very low30.5Very low147 Ų147136.3 Ų136.369%0.68780%0.797SS**  trans89.5109.6141.5-80.8166.751.700122.9
558L29.1Very low30.2Very low147 Ų147135.7 Ų135.777%0.7779%0.794SS**  56.4113127.4-68.6169.1000120.9
559L27.5Very low30.1Very low166 Ų166136 Ų13687%0.86979%0.791SS**  -172.6164.595-96.8168.7000113.4
560E26.6Very low30.3Very low173 Ų173134 Ų13481%0.80878%0.782SS**  trans-70.2-179.7173.7-113.9-171.7121.300113.7
561P40.1Very low30.4Very low92 Ų92134.5 Ų134.560%0.59778%0.779SS**  cis-143.1-165.1-7.333.4-9.5000115.7
562L23.3Very low30.2Very low144 Ų144136.4 Ų136.475%0.75478%0.775SS**  trans80.3123.3143-113.684.9000121.6
563L29.1Very low30.1Very low165 Ų165130.9 Ų130.986%0.86476%0.762SS**  trans55.5149.1153.9-51.5179.2000118.5
564G25.7Very low30Very low65 Ų65133.5 Ų133.567%0.6776%0.763SS**  cis148.8103.3-0.100000109.6E566G564-E566 PolarHBondContact O-N 3.33Å
565D28.7Very low30.1Very low179 Ų179134.9 Ų134.996%0.95776%0.76SS**PPolyproline II helixtrans-79.1118-175.2-78-43.8000112.3
566E27.1Very low30.1Very low193 Ų193138.4 Ų138.490%0.90275%0.754SS**PPolyproline II helixtrans-94.2135.3166.9-69.3-155.3118.200111.6G564G564-E566 PolarHBondContact O-N 3.33Å
567S33.3Very low30.1Very low102 Ų102137.2 Ų137.271%0.71375%0.75SS**PPolyproline II helixtrans-96.3138.9172.5175.10000111
568P39Very low29.9Very low114 Ų114138 Ų13874%0.7475%0.754SS**PPolyproline II helixtrans-93.8121.5154.532.4-25.9000110.2
569V28.2Very low29.9Very low115 Ų115134.8 Ų134.870%0.69775%0.749SS**  70.1126.254.3175.70000111.7
570S37.3Very low30Very low95 Ų95134.6 Ų134.666%0.66475%0.748SS**  cis-172.3-156.7-9.1-97.60000108.3
571Q31.2Very low30.8Very low167 Ų167131.6 Ų131.678%0.7874%0.744SS**  trans98.7130148.1-66.1-179.540.600116.1
572L27.8Very low30.3Very low141 Ų141135.6 Ų135.674%0.73875%0.754SS**  cis-148.7137.17.3-100.2147.7000109.1
573A27.7Very low30.6Very low74 Ų74137.1 Ų137.161%0.61276%0.757SS**  74.9148.299.400000116.3
574E27.9Very low30.7Very low160 Ų160140.2 Ų140.275%0.74876%0.758SS**  cis-159.6146.5-6.6-110.1168.1132.800107.7
575L31.9Very low30.8Very low146 Ų146144.1 Ų144.176%0.76476%0.763SS**  57.7157.690.8-61.8-171.9000116.3
576E30.1Very low30.8Very low157 Ų157143.9 Ų143.973%0.73476%0.76SS**  cis-150-178.1-4.7-129.1-152.910400107.4
577M30.7Very low30.9Very low140 Ų140140 Ų14069%0.6975%0.754SS**  cis-112.6-132.85.8-58.9177-65.900109
578E25.5Very low30.7Very low162 Ų162140.2 Ų140.276%0.75776%0.755SS**  cis-156.5122.7-6.2-149.3165.8163.400104.9
579A28.6Very low30.3Very low81 Ų81139.3 Ų139.367%0.66975%0.752SS**  73.2129.86400000114.8
580L30.4Very low30.3Very low162 Ų162144.8 Ų144.885%0.84876%0.76SS**  cis-145.4-135-4.9-94.1159.6000110.2
581P44Very low30Very low110 Ų110150 Ų15071%0.71477%0.771SS**  -132.6174.3-112.342.8-24.5000117.1
582E28.3Very low29.8Very low175 Ų175151.2 Ų151.282%0.81877%0.773SS**  -164.2151128.4-118.6-170.2173.500112.9
583E30.5Very low29.8Very low176 Ų176149.9 Ų149.982%0.82278%0.776SS**  trans-126.2153.1176.7-68.7-155.1145.900112.2
584R31.6Very low29.9Very low231 Ų231154.3 Ų154.387%0.87278%0.784SS**  trans-164.3114.2145.8-114.4164-129.4165.110.2114.4
585D27.4Very low30Very low146 Ų146153.6 Ų153.678%0.78179%0.786SS**  trans-64.6149.4163.5-100.5-41.9000113.1
586I29.3Very low29.8Very low175 Ų175151.2 Ų151.290%0.89778%0.781SS**  -156.4128.6128.426.8170.8000111.4
587S28.4Very low30.2Very low110 Ų110151.4 Ų151.477%0.76979%0.786SS**  trans-94.6146.7179.6171.70000113
588S28.6Very low30.5Very low107 Ų107150.9 Ų150.975%0.74879%0.793SS**  trans-164.7106.5139.8-154.60000116.5
589S30.7Very low30.6Very low96 Ų96148.7 Ų148.767%0.67179%0.791SS**  66.6116.7124.2-50.80000123.6
590R28Very low30.7Very low230 Ų230151.6 Ų151.687%0.86879%0.794SS**  86.2107.5116-171-164.3-165.1-172.27.7120.5
591K30.4Very low30.6Very low205 Ų205151.2 Ų151.289%0.89179%0.792SS**  -163159.2112.8-107167.1-172.8175.80112.9
592K28.4Very low30.1Very low191 Ų191153.4 Ų153.483%0.8379%0.792SS**  trans-93.2157.2-177.1-52.3-179.2171.4-162.10112.1
593S27.6Very low30.3Very low114 Ų114152 Ų15280%0.79779%0.791SS**  -177.1117.4109.551.50000113.1
594E29.6Very low30.2Very low166 Ų166147.3 Ų147.378%0.77679%0.79SS**  trans-74.8173147.2-43.4115.6123.400108.5
595D30.3Very low30Very low146 Ų146141.6 Ų141.678%0.78179%0.791SS**  cis-163.5-174.810.8-165.517.3000111.5
596S27.8Very low30.2Very low95 Ų95139.1 Ų139.166%0.66479%0.792SS**  trans88.7112.9144.8-70.40000120.5
597L37.3Very low30.4Very low161 Ų161138 Ų13884%0.84379%0.792SS**  trans-81165150.5-61.3169.8000110.6
598P37.6Very low30.5Very low129 Ų129138.5 Ų138.584%0.83879%0.79SS**  trans-136.4174.1142.438-26.1000114.5
599T28.4Very low30.8Very low116 Ų116139.5 Ų139.571%0.71279%0.793SS**  trans-138.2138.9-155.2-52.20000113.4
600I29.7Very low31.1Very low142 Ų142139.4 Ų139.473%0.72879%0.792SS**  trans32127.1153.8-54165.7000121.2
601L29.5Very low31.5Very low154 Ų154134.7 Ų134.781%0.80679%0.788SS**  trans-178.5136.1131.4-115.879000106
602E33.3Very low31.7Very low156 Ų156130 Ų13073%0.72978%0.781SS**  cis99.214030.1-165.5169.8-164.400115
603N31.8Very low31.8Very low147 Ų147126.9 Ų126.979%0.78678%0.778SS**  trans79.5138.7-172.1-52.8-79.2000116.1
604G28.1Very low32.3Very low77 Ų77129.4 Ų129.479%0.79478%0.783SS**  cis143.7105.3-11.300000114.6
605A27.4Very low32.2Very low110 Ų110125.3 Ų125.391%0.90979%0.786SS**  trans-169.7160.6164.500000111.7
606A32.3Very low32.1Very low95 Ų95129.4 Ų129.479%0.78579%0.79SS**  trans-133162177.800000112.3
607V32.8Very low32.1Very low151 Ų151130.2 Ų130.292%0.91579%0.791SS**  trans-169.6164155.5132.50000110.2
608V31.8Very low31.6Very low120 Ų120127.2 Ų127.273%0.72778%0.783SS**  trans-136.6164.1-1581790000112.9
609T33.3Very low31.1Very low129 Ų129125 Ų12579%0.79177%0.77SS**  trans76.1156.8164.126.20000118.6
610S37.6Very low30.9Very low93 Ų93127.7 Ų127.765%0.6578%0.775SS**  cis-163.6157.417.2-136.40000118.3
611T35.8Very low30.8Very low131 Ų131126.1 Ų126.180%0.80477%0.772SS**  trans66.3174.2162.671.70000118.2
612S35.2Very low30.6Very low106 Ų106128.7 Ų128.774%0.74177%0.771SS**  cis-164.8178.94.6-136.60000109.2
613V31.6Very low30.2Very low127 Ų127130.2 Ų130.277%0.7777%0.77SS**  cis-161.8178.9-176.50000110.5
614N38.1Very low29.9Very low166 Ų166129.7 Ų129.789%0.88877%0.767SS**  trans-113.8166.8-174.5-64-18.7000116.6
615G26.6Very low29.8Very low81 Ų81129.8 Ų129.884%0.83576%0.761SS**  trans-169.1155168.800000115.9
616R28.1Very low29.8Very low231 Ų231130.1 Ų130.187%0.87276%0.757SS**  trans-149.1143-161.4-147.9-157.8176.3-150.12116.8
617V27.5Very low30.8Very low112 Ų112131.1 Ų131.168%0.67976%0.755SS**  trans70110.4141.1151.90000124.2
618S26.8Very low31.1Very low98 Ų98130.1 Ų130.169%0.68575%0.752SS**  72.8136.5116.2-1540000127.6
619S27Very low30.9Very low82 Ų82129.2 Ų129.257%0.57375%0.75SS**  trans87.2149.5132.143.20000125.8
620H25.1Very low30.6Very low174 Ų174131.1 Ų131.181%0.80675%0.748SS**  trans86.9147.6166.1-50.6-63.5000117.4
621T26.9Very low30.3Very low109 Ų109136 Ų13667%0.66975%0.752SS**  cis-147.8145.3544.20000113.6
622W25.4Very low29.8Very low208 Ų208137.6 Ų137.679%0.78875%0.748SS**  trans56157.4135.8-59.337.8000119.1
623R25.1Very low29.7Very low188 Ų188140.4 Ų140.471%0.70974%0.742SS**  cis-162.4158.117.5-153.3-167.4-73.4-114.7-1.2113.2
624D24.5Very low29.7Very low135 Ų135141.2 Ų141.272%0.72274%0.736SS**  trans56.4113.4148.5-77.2-29.4000125.2
625A27Very low29.3Very low79 Ų79139.9 Ų139.965%0.65372%0.724SS**  71.790.6113.400000124.5
626S26.5Very low29.6Very low118 Ų118143.1 Ų143.183%0.82572%0.715SS**  60.2-179.1115.7-37.20000120.6
627P53.3Low29.7Very low116 Ų116141.9 Ų141.975%0.75372%0.716SS**  -125.2-176.3-119.433.7-9.8000115
628P39.6Very low30Very low130 Ų130143.4 Ų143.484%0.84472%0.716SS**  -153.1175.9104.139.8-22.1000116.8
629S27.9Very low30.2Very low100 Ų100147.5 Ų147.570%0.69973%0.729SS**  trans-96.4157.6-178.142.90000115.4
630K28Very low30.3Very low169 Ų169146.4 Ų146.474%0.73573%0.731SS**  trans150.4145133.2-85.4158.8-178.3166.90117.1
631R29.7Very low30.6Very low196 Ų196144.8 Ų144.874%0.7474%0.739SS**  trans72168.2152.3-73.6179.6-81.5-150.14.2115.8
632F26.7Very low30.7Very low165 Ų165143 Ų14372%0.72474%0.742SS**  cis-165.8174.55.4-118.13.8000108.2
633R31.9Very low30.9Very low164 Ų164141.1 Ų141.162%0.61975%0.747SS**  cis173.9128.1-19.2156.9-177156.8-77.612.7112.8
634K31.8Very low31.2Very low145 Ų145140.7 Ų140.763%0.6376%0.758SS**  trans70.4171.1159.1-135.4175.5159.5-136.70114.3
635E29.1Very low31.4Very low138 Ų138137 Ų13765%0.64575%0.751SS**  cis-170.7179.619.8-165.7149.9-17000110.6
636K34.1Very low31.5Very low148 Ų148141.2 Ų141.264%0.64376%0.763SS**  -162.7141.3-69177.2-164.6173.5-165.80112.6
637K29.8Very low31.8Very low206 Ų206140.6 Ų140.690%0.89676%0.758SS**  trans-171.3150.5153.3-99.4179.2179.2-179.80107.7
638Q34.8Very low30.5Very low143 Ų143146.1 Ų146.167%0.66877%0.766SS**  cis82101.5-22.1-157.1177.131.800123.8
639L30.5Very low30.3Very low184 Ų184147.2 Ų147.296%0.96376%0.763SS**  trans-166.9138.8135.2-131.5114.7000108.1
640G28.9Very low30.5Very low60 Ų60152.1 Ų152.162%0.61977%0.772SS**  cis179.7153.4-12.700000113.6
641S31.6Very low30.7Very low140 Ų140152.6 Ų152.698%0.97978%0.776SS**  trans67.3151.6173.5-61.50000118.4
642G27.7Very low31.3Very low71 Ų71149.2 Ų149.273%0.73278%0.78SS**  cis-158.2178.51.100000113.6
643L31Very low31.5Very low168 Ų168151 Ų15188%0.8879%0.793SS**  trans-100.8148.3-169.1-69.577.1000114.8
644L31.5Very low31.5Very low180 Ų180147.4 Ų147.494%0.94280%0.799SS**  trans176.5157.4136.4-93.6152.1000108.5
645G28.6Very low31.4Very low56 Ų56148.5 Ų148.558%0.57781%0.806SS**  cis162119.1-9.200000114
646N28.8Very low31.6Very low169 Ų169149.1 Ų149.190%0.90481%0.809SS**  trans79.7150.6165.8-59.5-8.5000120.3
647S31.9Very low31.3Very low105 Ų105148.1 Ų148.173%0.73481%0.811SS**  trans-112168.2174.653.90000110.8
648Y27.3Very low31.5Very low231 Ų231143.6 Ų143.691%0.90681%0.805SS**  trans-145.4132.2159.3-110.4-81.3000111.8
649I34.2Very low31.2Very low154 Ų154139.9 Ų139.979%0.7981%0.805SS**  trans-107.3156164.9-67.3173.1000106.7
650K31.6Very low31.4Very low202 Ų202140 Ų14088%0.87880%0.801SS**  trans-125.4144.3173.2-145.2170.6-174177.50111.7
651E32.1Very low31.5Very low179 Ų179143.4 Ų143.484%0.83681%0.805SS**  trans-95161.4-159.8-59.5165.5113.300114.3
652P43.9Very low31.5Very low125 Ų125143.2 Ų143.281%0.81280%0.798SS**  trans-93.3157.4161.937.4-32.6000112.4
653M29.5Very low31.6Very low202 Ų202144.6 Ų144.6100%0.99580%0.796SS**  trans-146.3156.7163.8-147.3172-172.800112.6
654A33.1Very low31.5Very low90 Ų90143.3 Ų143.374%0.74480%0.795SS**  trans-97.3171.8-155.900000116.4
655Q29.7Very low31.7Very low168 Ų168142.6 Ų142.679%0.78579%0.787SS**  trans-166.9135.6135.7-110.4174.9-92.900114.4
656Q31.8Very low32.6Very low151 Ų151145.5 Ų145.571%0.70680%0.796SS**  trans63.1152.8151.6-68.7175.6-93.400120
657D29.6Very low33Very low127 Ų127144 Ų14468%0.67979%0.785SS**  cis-147.3179.4-0.8-138.1-43.8000113.1
658S32.4Very low33.7Very low110 Ų110145 Ų14577%0.76979%0.789SS**  trans-4.8149.3165.965.30000121.5
659G29.2Very low34.1Very low66 Ų66138.6 Ų138.668%0.6878%0.778SS**  cis151.3161.40.400000113
660Q35Very low35.5Very low186 Ų186136 Ų13687%0.86977%0.771SS**  trans69.2157.8177.4-55.6-175.811.700117.5
661N31.8Very low36.7Very low131 Ų131132 Ų13270%0.70177%0.765SS**  cis-170.7136.7-41.4-101.2-9.7000110.4
662T31.1Very low36.9Very low136 Ų136131 Ų13183%0.83477%0.765SS**  trans61.6155.8149.6530000120.4
663S28.8Very low36.3Very low100 Ų100128.8 Ų128.870%0.69976%0.758SS**  cis-174.2148.5-12.9172.10000112.7
664V29.1Very low36.5Very low141 Ų141124.7 Ų124.786%0.85575%0.749SS**  trans78.2148.8148.3156.10000122.5
665Q36.6Very low36.6Very low165 Ų165126.7 Ų126.777%0.77175%0.752SS**  trans-106.1-174.8179.9-117.2-164.836.800110.6
666P47.4Very low36.7Very low118 Ų118123 Ų12377%0.76675%0.749SS**  cis-149.8-168.234.243.6-20.1000118.1
667M36.2Very low36.6Very low138 Ų138120.9 Ų120.968%0.6875%0.752SS**  trans-74.2161.5175-72.8-69.4-59.600114.6
668P47Very low36.7Very low126 Ų126121.8 Ų121.882%0.81876%0.761SS**  -146.4178.287.238.2-19.3000116.9
669S35.8Very low36.6Very low96 Ų96121.6 Ų121.667%0.67177%0.766SS**  trans-127.4-161.9-178.760.30000109.6
670P64.4Low36.5Very low98 Ų98125.7 Ų125.764%0.63677%0.773SS**  cis-129.5-168.5-5.843.1-23.9000113.4
671P56.6Low36.2Very low118 Ų118122.1 Ų122.177%0.76677%0.768SS**  -124.8-153.983.72.221.7000113.8
672L35.3Very low36.1Very low159 Ų159120.8 Ų120.883%0.83277%0.769SS**  -178.3169.6-67-85176.1000106.5
673A31.7Very low36.2Very low79 Ų79120.8 Ų120.865%0.65377%0.769SS**  cis170.9139-36.800000107.2
674S34.1Very low36.3Very low115 Ų115126.8 Ų126.880%0.80478%0.776SS**  cis-137.2-145.4-6-66.60000107.6
675V34.3Very low36.3Very low133 Ų133126.3 Ų126.381%0.80677%0.773SS**  cis-144.3154.114.1-75.20000108
676A32.3Very low35.7Very low89 Ų89125.2 Ų125.274%0.73677%0.773SS**  cis82.613649.400000113.9
677S30.2Very low35.5Very low108 Ų108125 Ų12576%0.75577%0.774SS**  cis-154.51433.240.40000109.7
678V32Very low35.6Very low145 Ų145124 Ų12488%0.87978%0.778SS**  65.2115.861.4-168.80000115.5
679A29.3Very low34.6Very low106 Ų106123.3 Ų123.388%0.87678%0.776SS**  trans-169.6155.1149.600000111.7
680D28.4Very low34.4Very low153 Ų153127 Ų12782%0.81878%0.782SS**  trans-153.1136.8179.3174.823.2000110.3
681S28.4Very low32.6Very low110 Ų110131 Ų13177%0.76979%0.793SS**  trans165.5122.5157.5-81.50000115.7
682S28.5Very low31.3Very low104 Ų104132.8 Ų132.873%0.72780%0.795SS**  trans31.6122.5135.8167.40000122.6
683T34.5Very low31Very low135 Ų135130.8 Ų130.883%0.82879%0.789SS**  -171.7134.4107.431.20000115.9
684R29.6Very low30.8Very low226 Ų226132.9 Ų132.985%0.85379%0.794SS**  trans5.4135.7154.6-75.5-176.7165.3172.3-4.6124.7
685V29.8Very low30.5Very low131 Ų131132.2 Ų132.279%0.79479%0.789SS**  trans53.2134.5139.1-45.60000119.9
686D25.1Very low30.2Very low142 Ų142130.6 Ų130.676%0.75978%0.784SS**  -160.3168.376.5-162.25.1000113.5
687S42.6Very low30.1Very low114 Ų114133.8 Ų133.880%0.79779%0.788SS**  trans-164.1119.9174.4-73.10000115.5
688P38.2Very low29.9Very low117 Ų117134.2 Ų134.276%0.7679%0.789SS**  trans-126.3154.4155.434.8-21.5000112.8
689S26.1Very low29.8Very low112 Ų112132.7 Ų132.778%0.78379%0.785SS**  cis-161161.8-5.648.90000112.2
690H31.6Very low30.1Very low172 Ų172133.9 Ų133.980%0.79678%0.784SS**  trans-68.9176.5166.9-90-109.2000111.4
691E25.5Very low30.2Very low182 Ų182132 Ų13285%0.8578%0.783SS**  -166.2165.864.9-93.7-169.2153.600117.7
692L29.1Very low30.7Very low157 Ų157133 Ų13382%0.82279%0.787SS**  trans-155.6146.3-173.3-65.3177000106.3
693V29.8Very low30.7Very low117 Ų117133.7 Ų133.771%0.70979%0.792SS**  cis-166.5171.61.4660000109
694T26.8Very low30.3Very low123 Ų123135.6 Ų135.676%0.75580%0.796SS**  trans66.6174.9167.159.70000116.8
695S28.7Very low30.2Very low100 Ų100132.2 Ų132.270%0.69979%0.794SS**  cis-157.1150.78.6-12.60000114.5
696S28.1Very low30Very low100 Ų100134.1 Ų134.170%0.69980%0.799SS**  39140.3125.7-156.90000123
697L30.8Very low30.1Very low155 Ų155135.7 Ų135.781%0.81280%0.802SS**  177.1153105.3-94.8174.1000117.4
698C25.7Very low29.4Very low117 Ų117136.1 Ų136.179%0.79180%0.799SS**  trans75.2132.9153.1-71.40000123.4
699S29.8Very low29.2Very low113 Ų113136 Ų13679%0.7980%0.799SS**  trans-89.3168.4166.4-0.80000112.4
700P34.7Very low29.3Very low132 Ų132139.2 Ų139.286%0.85780%0.801SS**  -147.1176.2107.639.7-24.9000114.8
701S30.5Very low29.2Very low114 Ų114135.9 Ų135.980%0.79780%0.803SS**  trans-119157.1173.255.20000112.3
702P38.4Very low29.3Very low130 Ų130135.8 Ų135.884%0.84480%0.803SS**  -143.2172.2129.938.2-24.3000114.5
703S28.6Very low29.5Very low118 Ų118134 Ų13483%0.82580%0.804SS**  trans-90.5160.2-169.9-32.30000115.5
704L26.8Very low29.5Very low175 Ų175136.9 Ų136.992%0.91681%0.814SS**  trans-159.3165.6145-113174.1000112.9
705L27.5Very low29.6Very low155 Ų155142.4 Ų142.481%0.81282%0.821SS**  trans-92.5150-173.6-78.9152000113.7
706L26.3Very low29.5Very low171 Ų171146.6 Ų146.690%0.89583%0.83SS**  trans-158.2-179.1139.4-134.269.2000112.1
707Q27.5Very low29.4Very low176 Ų176146.6 Ų146.682%0.82283%0.829SS**  trans-113.3156.7-152-71174.7-64.100117.2
708T26.6Very low29.4Very low122 Ų122146.5 Ų146.575%0.74883%0.827SS**  trans-13.8153.2150.2440000118.7
709P33.3Very low29.4Very low115 Ų115150.5 Ų150.575%0.74783%0.827SS**  cis-149.6150.449.540.8-20.2000121.8
710Q30.2Very low29.5Very low179 Ų179154.7 Ų154.784%0.83683%0.831SS**  trans16.4120.6133.2-167.2176.825.600119.8
711A28.5Very low29.2Very low102 Ų102154 Ų15484%0.84383%0.825SS**  trans-130.1161.6154.800000109.7
712Q28.6Very low29.2Very low180 Ų180154.6 Ų154.684%0.84183%0.829SS**  trans-98.6159.3-158.4-68.7162.5-31.300114.6
713S32.9Very low28.8Very low121 Ų121153.6 Ų153.685%0.84682%0.82SS**  trans-71.6136173.246.10000112.1
714L28.5Very low28.9Very low176 Ų176152.8 Ų152.892%0.92182%0.821SS**  trans-124.4148.8164.3-86.9167.5000109.6
715R29.2Very low29.4Very low239 Ų239149.3 Ų149.390%0.90281%0.807SS**PPolyproline II helixtrans-69.7146.2-168.9-72.3-178.4171.5-174.5-3.8112.2
716Q27.9Very low30Very low189 Ų189150.6 Ų150.688%0.88381%0.809SS**PPolyproline II helixtrans-67.5128.3164.6-66.3162-32.100109.3
717C25.6Very low30.5Very low99 Ų99146.4 Ų146.467%0.66979%0.793SS**PPolyproline II helixtrans-101.3128.5160.2-71.40000108.2Y719C717-Y719 HydrophobicContact CB-CD2 4.49Å; C717-Y719 HydrophobicContact CB-CE2 4.03Å; C717-Y719 PolarHBondContact O-N 3.09Å
718I29.4Very low31.1Very low154 Ų154141.6 Ų141.679%0.7977%0.773SS**  trans-87.1110.4-179.9-59.2171.9000108.2
719Y27Very low32Very low201 Ų201138.1 Ų138.179%0.78875%0.752SS**  trans-103.7113165.2-71-75.1000108.8C717C717-Y719 HydrophobicContact CB-CD2 4.49Å; C717-Y719 HydrophobicContact CB-CE2 4.03Å; C717-Y719 PolarHBondContact O-N 3.09Å
720K32.3Very low32.5Very low200 Ų200139 Ų13987%0.8775%0.747SS**  trans-78.5120.3165.3-68-179.8179.4178.40107.8
721T28.3Very low33.3Very low117 Ų117135.2 Ų135.272%0.71873%0.729SS**  trans-119.7113.4169.142.60000109.1
722S30.2Very low34.2Very low128 Ų128136.4 Ų136.490%0.89572%0.719SS**  trans-73131.7164.6-171.10000108.2
723V29.8Very low34.9Very low108 Ų108132 Ų13266%0.65570%0.701SS**  trans-119.2102.3179.7-175.20000109T725V723-T725 HydrophobicContact CG1-CG2 3.93Å; V723-T725 PolarHBondContact O-N 2.66Å; V723-T725 VanDerWaalsContact O-N 3.16Å
724A30.8Very low35.1Very low101 Ų101131.4 Ų131.484%0.83569%0.692SS**  trans-75.895.8168.100000109.2Q726A724-Q726 PolarHBondContact O-N 2.76Å
725T37.4Very low35.3Very low102 Ų102129.6 Ų129.663%0.62668%0.683SS**  trans-78.998.8172.5520000110V723 C727V723-T725 HydrophobicContact CG1-CG2 3.93Å; V723-T725 PolarHBondContact O-N 2.66Å; V723-T725 VanDerWaalsContact O-N 3.16Å; T725-C727 VanDerWaalsContact C-N 3.29Å; T725-C727 PolarHBondContact O-N 3.25Å
726Q39.4Very low35.5Very low183 Ų183122.9 Ų122.986%0.85567%0.672SS**  trans-72.485.9167.3-172175.78.600109.1A724A724-Q726 PolarHBondContact O-N 2.76Å
727C36.5Very low36.1Very low82 Ų82121.9 Ų121.955%0.55467%0.673SS**  trans-84.4148.4174.9-66.20000111.2T725T725-C727 VanDerWaalsContact C-N 3.29Å; T725-C727 PolarHBondContact O-N 3.25Å
728D40.4Very low36.6Very low75 Ų75122.7 Ų122.740%0.40168%0.68SS.*  trans-63.3131.1168.2-167.5-53000109.6Y350 E730 E731Y350-D728 PolarHBondContact OH-OD2 2.81Å; D728-E730 PolarHBondContact O-N 3.39Å; D728-E730 WeakPolarHBondContact OD1-CB 3.42Å; D728-E730 PolarHBondContact OD1-N 2.95Å; D728-E731 HydrophobicContact CB-CB 4.46Å; D728-E731 PolarHBondContact O-N 3.01Å
729P46.7Very low36.8Very low50 Ų50127.1 Ų127.133%0.32571%0.705SS.*THydrogen-bonded Turntrans-64.6-15.5178.926.7-35000114.1H335 I339H335-P729 PolarHBondContact CE1-O 3.25Å; I339-P729 HydrophobicContact CG2-CB 3.75Å
730E43.2Very low37.3Very low134 Ų134123.4 Ų123.463%0.62670%0.701SS**THydrogen-bonded Turntrans-95.9-12.1-176.6-58.4-175-17800113.5D728 I732D728-E730 PolarHBondContact O-N 3.39Å; D728-E730 WeakPolarHBondContact OD1-CB 3.42Å; D728-E730 PolarHBondContact OD1-N 2.95Å; E730-I732 PolarHBondContact O-N 3.22Å
731E47.7Very low37.5Very low98 Ų98119.4 Ų119.446%0.45869%0.692SS.*  trans-93.595.6-176.6-158.6-169-143.100113.6R371 D728 I733R371-E731 VanDerWaalsContact CZ-CD 3.49Å; R371-E731 IonicContact CZ-OE1 3.03Å; R371-E731 IonicContact CZ-OE2 3.28Å; R371-E731 IonicContact NE-OE1 3.61Å; R371-E731 IonicContact NH1-OE1 2.64Å; R371-E731 IonicContact NH1-OE2 3.66Å; R371-E731 PolarHBondContact NH1-OE2 3.02Å; R371-E731 IonicContact NH2-OE1 2.86Å; R371-E731 PolarHBondContact NH2-OE1 3.08Å; R371-E731 IonicContact NH2-OE2 3.08Å; R371-E731 PolarHBondContact NH2-OE2 3.22Å; D728-E731 HydrophobicContact CB-CB 4.46Å; D728-E731 PolarHBondContact O-N 3.01Å; E731-I733 PolarHBondContact O-N 2.9Å
732I46.5Very low38Very low127 Ų127119.5 Ų119.565%0.65169%0.69SS**  trans-73.1109.6174-49.8176.5000110.1E730 V734E730-I732 PolarHBondContact O-N 3.22Å; I732-V734 VanDerWaalsContact C-N 3.27Å; I732-V734 HydrophobicContact CB-CG2 4.36Å; I732-V734 HydrophobicContact CG2-CG2 3.64Å; I732-V734 PolarHBondContact O-N 3.23Å
733I42.4Very low38.5Very low88 Ų88119 Ų11945%0.45168%0.678SS.*  trans-73.185.8164.1-54.8179.5000108.5E731 L735E731-I733 PolarHBondContact O-N 2.9Å; I733-L735 HydrophobicContact CG2-CD2 4.03Å; I733-L735 HydrophobicContact CG2-CG 4.3Å; I733-L735 PolarHBondContact O-N 2.83Å
734V37.1Very low39Very low109 Ų109119.7 Ų119.766%0.66168%0.68SS**  trans-73.8100.6165-1770000107.4I732 S736I732-V734 VanDerWaalsContact C-N 3.27Å; I732-V734 HydrophobicContact CB-CG2 4.36Å; I732-V734 HydrophobicContact CG2-CG2 3.64Å; I732-V734 PolarHBondContact O-N 3.23Å; V734-S736 PolarHBondContact O-N 2.99Å
735L32.9Very low39.6Very low138 Ų138120.9 Ų120.972%0.72367%0.669SS**  trans-70.4107.7161.1-63.1178.3000106.8I733 D737I733-L735 HydrophobicContact CG2-CD2 4.03Å; I733-L735 HydrophobicContact CG2-CG 4.3Å; I733-L735 PolarHBondContact O-N 2.83Å; L735-D737 PolarHBondContact O-N 3.42Å
736S33.8Very low39.8Very low98 Ų98122.3 Ų122.369%0.68567%0.673SS**  trans-62.2129.6176.9-60.10000110.4V734 S738V734-S736 PolarHBondContact O-N 2.99Å; S736-S738 PolarHBondContact O-N 3.48Å
737D40.4Very low39.8Very low167 Ų167117.6 Ų117.689%0.89366%0.658SS**  trans-52.7138.3166.6-65.2-47.1000109.7L735L735-D737 PolarHBondContact O-N 3.42Å
738S37.4Very low40.1Very low116 Ų116120.6 Ų120.681%0.81167%0.667SS**  trans-114.1140.6171.4-610000108.7S736S736-S738 PolarHBondContact O-N 3.48Å
739D32.3Very low40Very low247 Ų247124.7 Ų124.7100%1.32169%0.691SS**  trans-61.70-175-63.4-66000114.6

Retrieved 739 of 739 residues in 265.1 ms (Link to these results)