A0A076N1C3_MOUSE Loading...

Truncated Kidins220 isoform m5

AlphaFold DB , UniProt , Accession A0A076N1C3, Species MOUSE (Mus musculus, Mouse), Gene Kidins220, Length 661 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
1V48.2Very low44.1Very low203 Ų203168.5 Ų168.5100%1.2390%0.898SS**  084.70-1740000109.4
2R45.7Very low43.6Very low254 Ų254160.8 Ų160.896%0.95889%0.887SS**  trans-155.643.2178.1-159.6-175.3-72.5-164.7-0.4111.7
3A46Very low43.1Very low101 Ų101161.6 Ų161.684%0.83589%0.888SS**  trans-16979.1176.800000109.6
4A45.6Very low42.5Very low98 Ų98157.1 Ų157.181%0.8188%0.883SS**  trans178.579.2166.600000112.3
5R46.1Very low42Very low247 Ų247161.2 Ų161.293%0.93288%0.881SS**  trans177.447.2146.7-103.8177.5172.3174.6-1.9114.8
6E46.6Very low42.4Very low193 Ų193157.6 Ų157.690%0.90287%0.868SS**  trans-8896.5147.5-73.2-169.1145.200107.7
7Q43.1Very low42.5Very low186 Ų186155.7 Ų155.787%0.86987%0.865SS**  trans174.991.8156.6-102.7175.118.500110.5
8I44.2Very low42.3Very low173 Ų173155.8 Ų155.889%0.88786%0.863SS**  -162120.4126.833.1169.8000106.9
9N36.2Very low42.2Very low164 Ų164153.9 Ų153.988%0.87786%0.858SS**  trans-13895.1174.4-168.86000109.4
10I44.3Very low41.9Very low164 Ų164155.1 Ų155.184%0.84186%0.862SS**  trans-142.6116174.4-83.6160.2000101.6
11G38.9Very low41.7Very low71 Ų71156.6 Ų156.673%0.73286%0.862SS**  85.7105.570.900000108
12G37.8Very low41.1Very low75 Ų75155.5 Ų155.577%0.77384%0.843SS**  cis134.980.88.700000109.4
13L37.9Very low40.7Very low172 Ų172147.5 Ų147.590%0.90183%0.832SS**  trans-133.3130.1174.1-72.5176.6000109
14A34.2Very low40.8Very low99 Ų99148.4 Ų148.482%0.81883%0.829SS**  trans-101147.6179.100000110.9
15Y34.8Very low40.4Very low218 Ų218150 Ų15086%0.85583%0.831SS**  trans-112140.4164.3-82.9-89.8000109.3
16P49.1Very low39.9Very low103 Ų103149 Ų14967%0.66983%0.828SS**  trans-79.1146.2-175.732-35.1000112.1
17P43.5Very low39.8Very low126 Ų126145.1 Ų145.182%0.81882%0.819SS**  trans-73.6140.2165.732-33000110.2
18L39.3Very low39.5Very low158 Ų158142.6 Ų142.683%0.82782%0.819SS**  trans-113.7151169.6-74.3178000110.3
19P40.8Very low38.9Very low119 Ų119140.3 Ų140.377%0.77382%0.818SS**  trans-82.1149.4-153.331-36.7000114.3
20L35.2Very low38.8Very low178 Ų178135.3 Ų135.393%0.93281%0.806SS**  trans-62143.3158.3-77.3164.3000110
21H38.8Very low38.1Very low186 Ų186138.5 Ų138.586%0.86181%0.809SS**  trans-125.8141.1165-159.772.1000109.8
22E34.7Very low37.7Very low180 Ų180138.8 Ų138.884%0.84180%0.799SS**  trans-84.2150.2-169.1-163.4171.9108.800111.9
23A36.9Very low37.3Very low87 Ų87143.4 Ų143.472%0.71980%0.801SS**  trans-114.1125.8-179.300000111
24P49.1Very low37.5Very low119 Ų119140.8 Ų140.877%0.77379%0.794SS**PPolyproline II helixtrans-68.2154.3-174.8-22.634000115
25P37.9Very low37.3Very low132 Ų132140.6 Ų140.686%0.85779%0.793SS**PPolyproline II helixtrans-70.3143.5-179.929.6-35.8000112.7
26R34.6Very low36.9Very low226 Ų226135.5 Ų135.585%0.85379%0.789SS**PPolyproline II helixtrans-103132177.3-168.1175.2-71.5128.8-3.2110.6
27P44.9Very low36Very low112 Ų112137.1 Ų137.173%0.72780%0.797SS**PPolyproline II helixtrans-77.3159.1-172.530.9-36.8000113.9
28P36Very low35.2Very low132 Ų132137.2 Ų137.286%0.85780%0.799SS**PPolyproline II helixtrans-82.2149.7176.834.1-35.4000113.2
29S32.3Very low34.7Very low126 Ų126135.1 Ų135.188%0.88180%0.797SS**  trans-153.9143.6166.1-172.90000108.8
30G32.8Very low34.1Very low59 Ų59135.6 Ų135.661%0.60880%0.803SS**  cis148.7134.2-4.400000111.9
31Y29.8Very low33.8Very low231 Ų231132.9 Ų132.991%0.90680%0.8SS**  trans65.2154.6177.5-88-124.5000116.5
32S31.1Very low33.4Very low77 Ų77128.9 Ų128.954%0.53880%0.799SS.*  cis-167.9139.9-26.3-96.90000106.9
33Q30.4Very low33.2Very low171 Ų171126 Ų12680%0.79980%0.799SS**  59.8140.369.7-65.8-70.3-8.900114.5
34P42.2Very low32.7Very low118 Ų118131.8 Ų131.877%0.76681%0.808SS**  cis-133.9-154.6-7.342.4-22.8000113.7
35A28.7Very low32Very low95 Ų95133.2 Ų133.279%0.78581%0.809SS**  trans-129.3168.9-173.100000115.3
36S27.3Very low31.7Very low111 Ų111129.9 Ų129.978%0.77680%0.799SS**  trans-166.3130.6153.8-81.90000109.1
37V29.5Very low32.4Very low137 Ų137125.3 Ų125.383%0.8380%0.798SS**  66.9113.269.8178.20000113.5
38C26.9Very low32Very low127 Ų127129.7 Ų129.786%0.85881%0.806SS**  trans-174.3147.9134.8-109.40000112.7
39S28.5Very low32.6Very low114 Ų114129.6 Ų129.680%0.79781%0.805SS**  trans-119.3156.4170.1-50.10000109.5
40S28.5Very low32.6Very low129 Ų129127.3 Ų127.390%0.90280%0.802SS**  trans-167.3153.7151.4-88.30000113.4
41S29.4Very low32.6Very low122 Ų122127.9 Ų127.985%0.85381%0.808SS**  trans-100.9161.9-177.9-45.70000112.2
42A30.2Very low32.7Very low102 Ų102123.4 Ų123.484%0.84380%0.804SS**  trans-145.3148.615800000110.6
43S29.8Very low33Very low120 Ų120126.6 Ų126.684%0.83982%0.82SS**  trans-141.5145.7177-54.10000109.7
44F27.1Very low33.3Very low207 Ų207123.4 Ų123.491%0.90882%0.817SS**  trans-149.3160.9169.3-158.9-102.5000111.4
45N34.9Very low33.2Very low150 Ų150123.7 Ų123.780%0.80282%0.818SS**  trans-153.8128.4-155.6-158.2-9.1000115.1
46G31Very low33.4Very low62 Ų62127.8 Ų127.864%0.63982%0.821SS**  trans72.1174.4166.100000118.5
47P48.9Very low34.6Very low130 Ų130126.7 Ų126.784%0.84481%0.812SS**  cis-129.8178.3-7.941.2-25.1000115.7
48F37.3Very low34.7Very low204 Ų204128.8 Ų128.890%0.89581%0.812SS**  trans-87.7157177.4-71.5-81.7000114.1
49P48.9Very low35Very low129 Ų129127.7 Ų127.784%0.83881%0.806SS**  -140.4179.783.638.6-22.9000114.1
50G31.3Very low35.4Very low79 Ų79127.7 Ų127.781%0.81481%0.806SS**  cis149120.8-10.800000114.6
51G32.3Very low35.6Very low71 Ų71131.2 Ų131.273%0.73280%0.801SS**  trans94.4161.2179.500000114.8
52V32.3Very low35.7Very low137 Ų137135.2 Ų135.283%0.8380%0.798SS**  cis-161.7151.5-3.8-106.20000111.8
53V36.7Very low36Very low144 Ų144135.1 Ų135.187%0.87379%0.792SS**  trans70.2146.8155.1173.50000119.4
54S37.7Very low36.2Very low104 Ų104132.6 Ų132.673%0.72778%0.784SS**  trans-134.4154.2178.4167.80000110
55P40Very low36.7Very low123 Ų123130.7 Ų130.780%0.79978%0.783SS**  trans-122.7120.1162.734.6-20.8000114.5
56Q32.7Very low36.9Very low181 Ų181129.5 Ų129.585%0.84679%0.787SS**  trans-78.6179.2142.4-108.5-166.3-11.800109.1
57P53.7Low37.2Very low89 Ų89129.7 Ų129.758%0.57879%0.788SS**  cis-125.9-1629.839.9-18.8000112
58H30.3Very low37Very low181 Ų181129.2 Ų129.284%0.83879%0.785SS**  -152.3167.764.2-87.3-89.8000112.5
59S34.4Very low37Very low103 Ų103127.8 Ų127.872%0.7278%0.781SS**  trans-130.6144-171.9173.80000113.3
60S36.1Very low36.2Very low114 Ų114129.5 Ų129.580%0.79778%0.778SS**  trans-164.8148.6155.656.50000110.3
61Y32.8Very low37Very low204 Ų204129.7 Ų129.780%0.876%0.764SS**  cis171138.8-34.9-129.7-84.8000104.2
62Y31.9Very low37Very low205 Ų205135.3 Ų135.380%0.80477%0.769SS**  trans68.7109.3166.3-124.4-121.7000117.7
63S36.6Very low37Very low100 Ų100139.9 Ų139.970%0.69977%0.773SS**  73.9140.382-580000114
64G33.9Very low37.1Very low67 Ų67140.4 Ų140.469%0.69177%0.771SS**  cis-170.1166-2.200000107.9
65L37.8Very low36.8Very low168 Ų168146.1 Ų146.188%0.8878%0.777SS**  178.115572-82.6161.3000108.5
66S38.9Very low36.5Very low125 Ų125147.2 Ų147.287%0.87478%0.775SS**  trans46128.8160.855.70000119.7
67G36.3Very low36.4Very low65 Ų65144.9 Ų144.967%0.6778%0.777SS**  cis-163.9-162.622.500000114.2
68P45Very low35.3Very low121 Ų121146.8 Ų146.879%0.78678%0.783SS**  trans-70.9136.5-147.2-18.332.9000114.9
69Q36.3Very low35.4Very low173 Ų173143.7 Ų143.781%0.80878%0.781SS**  63.913772.2-62.5-177.326.100114
70H33.7Very low35Very low166 Ų166141.4 Ų141.477%0.76977%0.774SS**  cis-154.2-171.2-2.4-130-144.6000110
71P46.9Very low34.9Very low82 Ų82145.2 Ų145.253%0.53278%0.776SS.*  trans-133.6-157.8-136.441.3-17.3000114.7
72F32.1Very low34.8Very low189 Ų189142 Ų14283%0.82977%0.773SS**  trans-0.1118.9160.7-66.8-76.2000119
73Y33.1Very low35Very low234 Ų234140.2 Ų140.292%0.91877%0.77SS**  trans-116.594.8138.8-79.9-78.7000110.3
74N38Very low35Very low155 Ų155142.6 Ų142.683%0.82977%0.77SS**  trans-132.990.7150.2-170.38.7000107.7
75R32.6Very low35.1Very low223 Ų223150.9 Ų150.984%0.84278%0.78SS**  trans-151.6129.8173.1-165.1-180-64.3-91.3-1.5110.8
76L34.1Very low35.3Very low146 Ų146152 Ų15276%0.76478%0.781SS**  trans-39129.3161.2177.170.1000112.8D78L76-D78 HydrophobicContact CD1-CB 4.23Å; L76-D78 HydrophobicContact CG-CB 4.39Å
77C30Very low34.9Very low132 Ų132151 Ų15189%0.89278%0.78SS**  trans-118.288.3157.4-78.30000108.7
78D30.9Very low34.7Very low130 Ų130153.3 Ų153.370%0.69579%0.786SS**  trans-94.8133.5156.2-170.5-7.8000108.2L76L76-D78 HydrophobicContact CD1-CB 4.23Å; L76-D78 HydrophobicContact CG-CB 4.39Å
79S31.4Very low34.5Very low116 Ų116153.9 Ų153.981%0.81179%0.787SS**  trans-163.6104.2171.4-78.90000110
80G27.5Very low35.1Very low55 Ų55150.9 Ų150.957%0.56778%0.782SS**  trans-62.6176.915500000111.2
81F32.8Very low35.3Very low193 Ų193146.9 Ų146.985%0.84678%0.778SS**  cis-141.1139.917.6-65.9-113.1000107.5
82N30.9Very low34.9Very low137 Ų137149.8 Ų149.873%0.73380%0.795SS**  173.9157.875-101.3-57000107.9
83K35.4Very low35.6Very low167 Ų167144.2 Ų144.273%0.72679%0.79SS**  cis-166.7167.9-13-153-173.9174.8-177.40109.8
84Q37.6Very low36.4Very low150 Ų150138.9 Ų138.970%0.70178%0.782SS**  trans6265.2144.8-151.286.624.900120
85R35.9Very low37.8Very low241 Ų241136.5 Ų136.591%0.90978%0.778SS**  -168.5164.2117.4-108.1174.9-177.4-106.2-0.4112.7
86Q41.1Very low40.3Very low193 Ų193129.7 Ų129.790%0.90276%0.758SS**  trans-95.2128.1-171.1-62.2149.3-68.300111.9
87A31.6Very low42.9Very low102 Ų102126.2 Ų126.284%0.84374%0.739SS**  trans-156.5140.1146.600000107.8
88S31Very low46Very low114 Ų114120.1 Ų120.180%0.79770%0.698SS**  trans-89.8134-176.852.60000112P90S88-P90 WeakPolarHBondContact O-CD 3.3Å
89V42.4Very low49Very low134 Ų134115.2 Ų115.281%0.81267%0.674SS**  trans-88.8117.9164.1-178.10000108.5A91V89-A91 PolarHBondContact O-N 3.44Å
90P48.7Very low52Low110 Ų110112.8 Ų112.871%0.71466%0.657SS**  trans-73.1113.9158.230.4-29.1000107.1S88S88-P90 WeakPolarHBondContact O-CD 3.3Å
91A36.4Very low55.3Low82 Ų82110.5 Ų110.568%0.67863%0.632SS**  63.212269.100000111.5V89 G93V89-A91 PolarHBondContact O-N 3.44Å; A91-G93 PolarHBondContact O-N 2.73Å
92T40.4Very low58.4Low143 Ų143104.8 Ų104.888%0.87761%0.613SS**SBendtrans-37.8118.6179.847.20000112.4T94T92-T94 PolarHBondContact O-N 2.76Å
93G44.9Very low61.6Low72 Ų7299.2 Ų99.274%0.74258%0.583SS**  trans-59.4120.8-170.700000112.7A91A91-G93 PolarHBondContact O-N 2.73Å
94T51.2Low64.6Low121 Ų12195.5 Ų95.574%0.74257%0.571SS**  trans-59.3135.515744.40000108.4T92 L96T92-T94 PolarHBondContact O-N 2.76Å; T94-L96 VanDerWaalsContact C-N 3.29Å; T94-L96 PolarHBondContact O-N 3.46Å
95S67.6Low67.4Low105 Ų10590.6 Ų90.673%0.73455%0.549SS*.  trans-68.588.3176.6-65.30000110.1L97S95-L97 PolarHBondContact O-N 3.39Å
96L83.4Confident70.3Confident81 Ų8179.2 Ų79.242%0.42451%0.507SS..  trans-62.3122.3173.7-76168.2000109.5T94 L98 M101 I105 M167T94-L96 VanDerWaalsContact C-N 3.29Å; T94-L96 PolarHBondContact O-N 3.46Å; L96-L98 PolarHBondContact O-N 2.87Å; L96-M101 HydrophobicContact CB-CE 3.75Å; L96-I105 HydrophobicContact CD1-CG2 4.38Å; L96-M167 VanDerWaalsContact O-CE 3.24Å; L96-M167 WeakPolarHBondContact O-CE 3.4Å
97L90.5Very high73Confident73 Ų7370.1 Ų70.138%0.38246%0.464SS..  trans-51.8134172.4-104.372.6000110.4S95 S99 S100 E171 V174S95-L97 PolarHBondContact O-N 3.39Å; L97-S99 VanDerWaalsContact C-N 3.32Å; L97-S99 PolarHBondContact O-N 3.32Å; L97-S100 WeakPolarHBondContact O-CB 3.25Å; L97-S100 PolarHBondContact O-N 3.23Å; L97-S100 PolarHBondContact O-OG 2.63Å; L97-E171 VanDerWaalsContact C-OE1 3.28Å; L97-E171 WeakPolarHBondContact CB-OE1 3.41Å; L97-E171 HydrophobicContact CD2-CG 4.33Å; L97-E171 HydrophobicContact CG-CG 4.15Å; L97-E171 WeakPolarHBondContact CG-OE1 3.48Å; L97-V174 HydrophobicContact CD1-CB 4.43Å; L97-V174 HydrophobicContact CD1-CG1 4Å
98L94.3Very high76.1Confident3 Ų370.2 Ų70.22%0.01645%0.448CS..G310 helixtrans-54.1-49.1-178.5-177.856.7000110.9L96 S100 M101 G135 L138 A139 M167 R168 E171L96-L98 PolarHBondContact O-N 2.87Å; L98-S100 PolarHBondContact O-N 2.84Å; L98-M101 HydrophobicContact CD1-SD 4.43Å; L98-M101 PolarHBondContact O-N 2.65Å; L98-G135 CarbonylContact O-C 3.59Å; L98-G135 VanDerWaalsContact O-C 3.31Å; L98-G135 WeakPolarHBondContact O-CA 3.28Å; L98-L138 HydrophobicContact CD1-CB 3.97Å; L98-L138 HydrophobicContact CD2-CB 4.39Å; L98-L138 HydrophobicContact CG-CB 4.37Å; L98-A139 HydrophobicContact CD2-CB 4.09Å; L98-A139 HydrophobicContact CG-CB 4.2Å; L98-M167 HydrophobicContact CB-CB 4.14Å; L98-M167 HydrophobicContact CB-CE 4.09Å; L98-M167 HydrophobicContact CD1-CB 4Å; L98-M167 HydrophobicContact CD1-CE 4.15Å; L98-M167 HydrophobicContact CD1-SD 4.01Å; L98-M167 HydrophobicContact CD2-CB 3.89Å; L98-M167 HydrophobicContact CG-CB 4.22Å; L98-R168 HydrophobicContact CD2-CG 3.67Å; L98-E171 HydrophobicContact CB-CB 4.48Å; L98-E171 PolarHBondContact N-OE1 3.06Å
99S94.8Very high79.2Confident27 Ų2768.1 Ų68.119%0.18942%0.424CS..G310 helixtrans-62.3-10.2177-69.50000115L97 R136 A139 E171L97-S99 VanDerWaalsContact C-N 3.32Å; L97-S99 PolarHBondContact O-N 3.32Å; S99-R136 WeakPolarHBondContact O-CG 3.14Å; S99-A139 WeakPolarHBondContact OG-CB 3.17Å; S99-E171 WeakPolarHBondContact CB-OE1 3.43Å; S99-E171 VanDerWaalsContact CB-OE2 3.28Å; S99-E171 WeakPolarHBondContact CB-OE2 3.23Å; S99-E171 VanDerWaalsContact N-CD 3.34Å; S99-E171 PolarHBondContact N-OE1 3.38Å; S99-E171 PolarHBondContact N-OE2 2.83Å; S99-E171 VanDerWaalsContact N-OE2 3.09Å; S99-E171 PolarHBondContact OG-OE2 3.16Å
100S94.4Very high81.8Confident65 Ų6561.8 Ų61.846%0.45539%0.386SS..G310 helixtrans-90.6-16.3174.9780000114L97 L98L97-S100 WeakPolarHBondContact O-CB 3.25Å; L97-S100 PolarHBondContact O-N 3.23Å; L97-S100 PolarHBondContact O-OG 2.63Å; L98-S100 PolarHBondContact O-N 2.84Å
101M95.9Very high84.1Confident8 Ų862.4 Ų62.44%0.03937%0.374CS..  trans-72.5133.3-170.5-63.6-169.9160.200113.4L96 L98 I105 V106 K109 G135 M167L96-M101 HydrophobicContact CB-CE 3.75Å; L98-M101 HydrophobicContact CD1-SD 4.43Å; L98-M101 PolarHBondContact O-N 2.65Å; M101-I105 HydrophobicContact CB-CB 4.22Å; M101-I105 HydrophobicContact CB-CG2 3.99Å; M101-I105 HydrophobicContact CE-CG2 3.95Å; M101-I105 HydrophobicContact CG-CG2 3.74Å; M101-I105 HydrophobicContact SD-CG2 3.83Å; M101-V106 HydrophobicContact CB-CG2 3.96Å; M101-K109 HydrophobicContact CE-CD 4.31Å; M101-K109 HydrophobicContact CE-CG 3.89Å; M101-K109 HydrophobicContact SD-CG 4.08Å; M101-G135 WeakPolarHBondContact O-CA 3.32Å; M101-G135 PolarHBondContact O-N 3.34Å; M101-M167 HydrophobicContact CE-CE 3.34Å; M101-M167 HydrophobicContact CE-SD 3.94Å; M101-M167 HydrophobicContact SD-CE 3.84Å; M101-M167 HydrophobicContact SD-SD 4.07Å
102T97.6Very high87Confident73 Ų7364.1 Ų64.145%0.44837%0.368SS..  trans-76.9165.316765.10000110.7D104 I105 V106T102-D104 PolarHBondContact O-N 2.92Å; T102-I105 HydrophobicContact CG2-CD1 4.46Å; T102-I105 PolarHBondContact O-N 3.02Å; T102-I105 VanDerWaalsContact O-N 3.13Å; T102-I105 WeakPolarHBondContact OG1-CG1 3.48Å; T102-I105 PolarHBondContact OG1-N 3.1Å; T102-V106 WeakPolarHBondContact O-CG2 3.4Å; T102-V106 PolarHBondContact O-N 3.49Å
103V98.1Very high89.7Confident20 Ų2058.5 Ų58.512%0.12133%0.332CS..Hα-helixtrans-53.8-40.2175.9-176.40000111.8V106 C107 I128 K129 N132 N134V103-V106 PolarHBondContact O-N 3.38Å; V103-C107 PolarHBondContact O-N 3.08Å; V103-C107 PolarHBondContact O-SG 3.29Å; V103-C107 VanDerWaalsContact O-SG 3.34Å; V103-I128 HydrophobicContact CG1-CG2 3.83Å; V103-K129 HydrophobicContact CG1-CB 4.35Å; V103-K129 HydrophobicContact CG1-CG 3.71Å; V103-N132 VanDerWaalsContact CG2-OD1 3.3Å; V103-N132 WeakPolarHBondContact CG2-OD1 3.33Å; V103-N134 HydrophobicContact CG2-CB 3.89Å
104D97.9Very high92.1Very high88 Ų8863.5 Ų63.547%0.47134%0.336SS..Hα-helixtrans-68.7-39.1178-64.1-77.9000113.1T102 V106 C107 E108 K129T102-D104 PolarHBondContact O-N 2.92Å; D104-V106 VanDerWaalsContact C-N 3.31Å; D104-C107 CarbonylContact O-C 3.31Å; D104-C107 WeakPolarHBondContact O-CB 3.37Å; D104-C107 PolarHBondContact O-N 3.06Å; D104-E108 PolarHBondContact O-N 3.03Å; D104-K129 WeakPolarHBondContact OD1-CE 3.49Å; D104-K129 IonicContact OD1-NZ 2.58Å; D104-K129 PolarHBondContact OD1-NZ 2.95Å
105I97Very high94.2Very high47 Ų4761.4 Ų61.424%0.24134%0.338CS..Hα-helixtrans-65.5-37.4173.9-64.3168.8000110.3L96 M101 T102 E108 K109L96-I105 HydrophobicContact CD1-CG2 4.38Å; M101-I105 HydrophobicContact CB-CB 4.22Å; M101-I105 HydrophobicContact CB-CG2 3.99Å; M101-I105 HydrophobicContact CE-CG2 3.95Å; M101-I105 HydrophobicContact CG-CG2 3.74Å; M101-I105 HydrophobicContact SD-CG2 3.83Å; T102-I105 HydrophobicContact CG2-CD1 4.46Å; T102-I105 PolarHBondContact O-N 3.02Å; T102-I105 VanDerWaalsContact O-N 3.13Å; T102-I105 WeakPolarHBondContact OG1-CG1 3.48Å; T102-I105 PolarHBondContact OG1-N 3.1Å; I105-E108 PolarHBondContact O-N 2.93Å; I105-K109 PolarHBondContact O-N 2.92Å
106V97.4Very high95.6Very high2 Ų257.3 Ų57.31%0.01231%0.308CS..Hα-helixtrans-63.1-40.8172.2172.60000111.1M101 T102 V103 D104 E108 K109 L110 I128 L138M101-V106 HydrophobicContact CB-CG2 3.96Å; T102-V106 WeakPolarHBondContact O-CG2 3.4Å; T102-V106 PolarHBondContact O-N 3.49Å; V103-V106 PolarHBondContact O-N 3.38Å; D104-V106 VanDerWaalsContact C-N 3.31Å; V106-E108 VanDerWaalsContact C-N 3.35Å; V106-E108 PolarHBondContact O-N 2.62Å; V106-K109 PolarHBondContact O-N 2.9Å; V106-L110 PolarHBondContact O-N 3.13Å; V106-I128 HydrophobicContact CB-CG2 4.46Å; V106-I128 HydrophobicContact CG1-CD1 4.25Å; V106-I128 HydrophobicContact CG1-CG2 3.97Å; V106-L138 HydrophobicContact CB-CD1 4.37Å; V106-L138 HydrophobicContact CG1-CD1 3.5Å; V106-L138 VanDerWaalsContact CG1-CD1 3.5Å; V106-L138 HydrophobicContact CG2-CD1 3.87Å
107C97.8Very high96.2Very high2 Ų256.7 Ų56.71%0.01431%0.305CS..Hα-helixtrans-65.5-33.2172.4-67.40000113.3V103 D104 R111 I128V103-C107 PolarHBondContact O-N 3.08Å; V103-C107 PolarHBondContact O-SG 3.29Å; V103-C107 VanDerWaalsContact O-SG 3.34Å; D104-C107 CarbonylContact O-C 3.31Å; D104-C107 WeakPolarHBondContact O-CB 3.37Å; D104-C107 PolarHBondContact O-N 3.06Å; C107-R111 VanDerWaalsContact O-CZ 3.24Å; C107-R111 PolarHBondContact O-N 3.27Å; C107-R111 PolarHBondContact O-NH1 3.35Å; C107-R111 VanDerWaalsContact O-NH1 3.1Å; C107-I128 VanDerWaalsContact SG-CG2 3.58Å
108E96.8Very high96.4Very high105 Ų10559.4 Ų59.449%0.49132%0.316SS..Hα-helixtrans-70.9-37.9172.5-75.4-170.6153.900112.4D104 I105 V106 R111 Q112D104-E108 PolarHBondContact O-N 3.03Å; I105-E108 PolarHBondContact O-N 2.93Å; V106-E108 VanDerWaalsContact C-N 3.35Å; V106-E108 PolarHBondContact O-N 2.62Å; E108-R111 WeakPolarHBondContact O-CB 2.95Å; E108-R111 PolarHBondContact O-N 3.3Å; E108-R111 VanDerWaalsContact O-N 3.16Å; E108-Q112 WeakPolarHBondContact O-CG 3.18Å; E108-Q112 PolarHBondContact O-N 3.28Å
109K95.7Very high96.6Very high70 Ų7062.2 Ų62.230%0.30435%0.345SS..Hα-helixtrans-65.1-40.4173.5-80.2-74.6163.9-159.50112M101 I105 V106 R111 Q112 M163M101-K109 HydrophobicContact CE-CD 4.31Å; M101-K109 HydrophobicContact CE-CG 3.89Å; M101-K109 HydrophobicContact SD-CG 4.08Å; I105-K109 PolarHBondContact O-N 2.92Å; V106-K109 PolarHBondContact O-N 2.9Å; K109-R111 VanDerWaalsContact C-N 3.26Å; K109-R111 PolarHBondContact O-N 2.82Å; K109-Q112 VanDerWaalsContact CE-OE1 3.31Å; K109-Q112 WeakPolarHBondContact O-CB 3.44Å; K109-Q112 PolarHBondContact O-N 2.94Å; K109-M163 HydrophobicContact CB-CE 4.26Å; K109-M163 HydrophobicContact CB-SD 3.88Å
110L97.3Very high96.6Very high1 Ų163.3 Ų63.31%0.00535%0.348CS..Hα-helixtrans-57.3-38170.4-168.580.5000112.3V106 Q112 I113 L116 L121 I128 M152 F160V106-L110 PolarHBondContact O-N 3.13Å; L110-Q112 PolarHBondContact O-N 3.04Å; L110-I113 HydrophobicContact CD1-CD1 4.08Å; L110-I113 PolarHBondContact O-N 3.34Å; L110-L116 HydrophobicContact CD1-CD1 3.75Å; L110-L116 HydrophobicContact CG-CD1 4.1Å; L110-L121 HydrophobicContact CD2-CD1 3.83Å; L110-L121 HydrophobicContact CG-CD1 3.96Å; L110-I128 HydrophobicContact CB-CD1 4.42Å; L110-I128 HydrophobicContact CD1-CD1 4.48Å; L110-I128 HydrophobicContact CD2-CD1 3.85Å; L110-I128 HydrophobicContact CG-CD1 4.48Å; L110-M152 HydrophobicContact CD1-CE 3.78Å; L110-F160 HydrophobicContact CD1-CB 4.4Å; L110-F160 HydrophobicContact CD1-CD2 3.42Å; L110-F160 VanDerWaalsContact CD1-CD2 3.42Å; L110-F160 HydrophobicContact CD1-CE2 3.89Å; L110-F160 HydrophobicContact CD1-CG 4.09Å
111R96.9Very high96.8Very high122 Ų12260.6 Ų60.646%0.4633%0.328SS..THydrogen-bonded Turntrans-69.6-15.5174.2-90.9-174.5-63-73.53.5114.8C107 E108 K109 L121 C125C107-R111 VanDerWaalsContact O-CZ 3.24Å; C107-R111 PolarHBondContact O-N 3.27Å; C107-R111 PolarHBondContact O-NH1 3.35Å; C107-R111 VanDerWaalsContact O-NH1 3.1Å; E108-R111 WeakPolarHBondContact O-CB 2.95Å; E108-R111 PolarHBondContact O-N 3.3Å; E108-R111 VanDerWaalsContact O-N 3.16Å; K109-R111 VanDerWaalsContact C-N 3.26Å; K109-R111 PolarHBondContact O-N 2.82Å; R111-L121 HydrophobicContact CG-CD1 3.84Å; R111-L121 HydrophobicContact CG-CD2 3.54Å; R111-L121 HydrophobicContact CG-CG 4.22Å; R111-C125 PolarHBondContact NH1-SG 3.46Å
112Q96.3Very high96.8Very high118 Ų11863.8 Ų63.855%0.55135%0.35SS*.THydrogen-bonded Turntrans-95.61.8178.5-69.116711.900112.3E108 K109 L110 E114E108-Q112 WeakPolarHBondContact O-CG 3.18Å; E108-Q112 PolarHBondContact O-N 3.28Å; K109-Q112 VanDerWaalsContact CE-OE1 3.31Å; K109-Q112 WeakPolarHBondContact O-CB 3.44Å; K109-Q112 PolarHBondContact O-N 2.94Å; L110-Q112 PolarHBondContact O-N 3.04Å; Q112-E114 PolarHBondContact O-N 2.9Å
113I96.9Very high96.9Very high26 Ų2666 Ų6613%0.13336%0.355CS..  trans-80112.1175.9-59-173.5000109.5L110 L116 L159 F160 M163L110-I113 HydrophobicContact CD1-CD1 4.08Å; L110-I113 PolarHBondContact O-N 3.34Å; I113-L116 HydrophobicContact CB-CB 4.19Å; I113-L116 HydrophobicContact CB-CD1 4.15Å; I113-L116 HydrophobicContact CD1-CD1 4.11Å; I113-L116 HydrophobicContact CG2-CB 3.96Å; I113-L116 HydrophobicContact CG2-CD1 4.16Å; I113-L159 HydrophobicContact CG2-CB 3.55Å; I113-L159 HydrophobicContact CG2-CD1 4.18Å; I113-L159 HydrophobicContact CG2-CG 4.37Å; I113-F160 HydrophobicContact CD1-CB 4.21Å; I113-F160 HydrophobicContact CD1-CD2 4.09Å; I113-M163 HydrophobicContact CD1-CB 4.17Å; I113-M163 HydrophobicContact CD1-CE 4.21Å; I113-M163 HydrophobicContact CD1-SD 3.73Å; I113-M163 HydrophobicContact CG1-SD 3.81Å
114E96.3Very high96.9Very high177 Ų17765.2 Ų65.283%0.82735%0.35SS*.THydrogen-bonded Turntrans-65.5139.4173.1-61.8-174.1174.900111.3Q112 L116Q112-E114 PolarHBondContact O-N 2.9Å; E114-L116 VanDerWaalsContact C-N 3.33Å; E114-L116 PolarHBondContact O-N 2.95Å
115G94.9Very high96.9Very high76 Ų7661.7 Ų61.778%0.78433%0.332SS*.THydrogen-bonded Turntrans79.92.317800000116.4
116L97Very high96.9Very high19 Ų1963.7 Ų63.710%0.09935%0.347CS..  trans-78.7142.9176.3-174.7147.6000111.7L110 I113 E114 Q118 L121 Y124 D156 L159L110-L116 HydrophobicContact CD1-CD1 3.75Å; L110-L116 HydrophobicContact CG-CD1 4.1Å; I113-L116 HydrophobicContact CB-CB 4.19Å; I113-L116 HydrophobicContact CB-CD1 4.15Å; I113-L116 HydrophobicContact CD1-CD1 4.11Å; I113-L116 HydrophobicContact CG2-CB 3.96Å; I113-L116 HydrophobicContact CG2-CD1 4.16Å; E114-L116 VanDerWaalsContact C-N 3.33Å; E114-L116 PolarHBondContact O-N 2.95Å; L116-Q118 PolarHBondContact O-N 3.35Å; L116-L121 HydrophobicContact CD2-CB 4.01Å; L116-L121 HydrophobicContact CD2-CD1 3.7Å; L116-L121 HydrophobicContact CD2-CG 4.5Å; L116-Y124 HydrophobicContact CD2-CD2 4.25Å; L116-Y124 HydrophobicContact CD2-CE2 4.4Å; L116-D156 WeakPolarHBondContact CA-OD1 3.48Å; L116-D156 HydrophobicContact CD1-CB 4.46Å; L116-D156 HydrophobicContact CG-CB 4.26Å; L116-L159 HydrophobicContact CB-CD1 4.26Å
117D95.8Very high97Very high68 Ų6865 Ų6536%0.36436%0.355SS..  trans-64103.8-179.5-177.6-3000112.5G119 M120 L121 D156D117-G119 PolarHBondContact O-N 3.5Å; D117-G119 WeakPolarHBondContact OD1-CA 3.42Å; D117-G119 PolarHBondContact OD1-N 3.18Å; D117-M120 HydrophobicContact CB-CB 4.2Å; D117-M120 HydrophobicContact CB-CG 4.49Å; D117-M120 PolarHBondContact O-N 3.21Å; D117-M120 VanDerWaalsContact O-N 3.11Å; D117-M120 PolarHBondContact OD1-N 3.14Å; D117-M120 WeakPolarHBondContact OD2-CG 3.35Å; D117-L121 PolarHBondContact O-N 3.23Å; D117-D156 WeakPolarHBondContact CB-OD2 3.18Å; D117-D156 PolarHBondContact N-OD1 2.89Å
118Q95.9Very high97Very high131 Ų13165 Ų6561%0.61235%0.354SS*.THydrogen-bonded Turntrans-63.3-21.5179.2-174.355.552.500113.7L116 L121L116-Q118 PolarHBondContact O-N 3.35Å; Q118-L121 VanDerWaalsContact NE2-CD2 3.3Å
119G96.9Very high97.1Very high61 Ų6165.3 Ų65.363%0.62935%0.354SS*.THydrogen-bonded Turntrans-76-35.517300000112.8D117 P122D117-G119 PolarHBondContact O-N 3.5Å; D117-G119 WeakPolarHBondContact OD1-CA 3.42Å; D117-G119 PolarHBondContact OD1-N 3.18Å; G119-P122 WeakPolarHBondContact O-CD 3.43Å
120M96.6Very high97.2Very high50 Ų5070.9 Ų70.925%0.24638%0.378CS..THydrogen-bonded Turntrans-89.1-21.5178.6-70-66.2-74.300113.8D117 P122 Q123 Y124D117-M120 HydrophobicContact CB-CB 4.2Å; D117-M120 HydrophobicContact CB-CG 4.49Å; D117-M120 PolarHBondContact O-N 3.21Å; D117-M120 VanDerWaalsContact O-N 3.11Å; D117-M120 PolarHBondContact OD1-N 3.14Å; D117-M120 WeakPolarHBondContact OD2-CG 3.35Å; M120-P122 VanDerWaalsContact C-N 3.34Å; M120-Q123 WeakPolarHBondContact O-CA 3.43Å; M120-Q123 WeakPolarHBondContact O-CB 3.32Å; M120-Q123 PolarHBondContact O-N 2.88Å; M120-Y124 HydrophobicContact CB-CD2 4.26Å; M120-Y124 HydrophobicContact CB-CE1 4.04Å; M120-Y124 HydrophobicContact CB-CE2 3.59Å; M120-Y124 VanDerWaalsContact CB-CZ 3.48Å; M120-Y124 HydrophobicContact CE-CE1 4.04Å; M120-Y124 PolarHBondContact O-N 3Å
121L97.1Very high97.2Very high8 Ų872.4 Ų72.44%0.04239%0.391CS..Hα-helixtrans-44.4-44.2175.6177.696.5000114.7L110 R111 L116 D117 Q118 Q123 Y124 C125L110-L121 HydrophobicContact CD2-CD1 3.83Å; L110-L121 HydrophobicContact CG-CD1 3.96Å; R111-L121 HydrophobicContact CG-CD1 3.84Å; R111-L121 HydrophobicContact CG-CD2 3.54Å; R111-L121 HydrophobicContact CG-CG 4.22Å; L116-L121 HydrophobicContact CD2-CB 4.01Å; L116-L121 HydrophobicContact CD2-CD1 3.7Å; L116-L121 HydrophobicContact CD2-CG 4.5Å; D117-L121 PolarHBondContact O-N 3.23Å; Q118-L121 VanDerWaalsContact NE2-CD2 3.3Å; L121-Q123 VanDerWaalsContact C-N 3.31Å; L121-Q123 PolarHBondContact O-N 3.38Å; L121-Y124 PolarHBondContact O-N 3.47Å; L121-C125 WeakPolarHBondContact O-CB 3.43Å; L121-C125 PolarHBondContact O-N 3.23Å; L121-C125 PolarHBondContact O-SG 2.87Å
122P97.8Very high97.2Very high75 Ų7571.3 Ų71.349%0.48739%0.394SS..Hα-helixtrans-63.7-36.3178.5-20.934.4000112.6G119 M120 T126G119-P122 WeakPolarHBondContact O-CD 3.43Å; M120-P122 VanDerWaalsContact C-N 3.34Å; P122-T126 WeakPolarHBondContact O-CB 3.45Å; P122-T126 PolarHBondContact O-N 3.1Å; P122-T126 PolarHBondContact O-OG1 3.42Å
123Q98Very high97.3Very high120 Ų12066 Ų6656%0.56137%0.37SS*.Hα-helixtrans-70.4-43.2175.8-175.2165.4-23.900110.7M120 L121 C125 T126 T127M120-Q123 WeakPolarHBondContact O-CA 3.43Å; M120-Q123 WeakPolarHBondContact O-CB 3.32Å; M120-Q123 PolarHBondContact O-N 2.88Å; L121-Q123 VanDerWaalsContact C-N 3.31Å; L121-Q123 PolarHBondContact O-N 3.38Å; Q123-C125 PolarHBondContact O-N 3.07Å; Q123-T126 CarbonylContact O-C 3.59Å; Q123-T126 WeakPolarHBondContact O-CA 3.34Å; Q123-T126 WeakPolarHBondContact O-CB 3.46Å; Q123-T126 PolarHBondContact O-N 2.76Å; Q123-T126 VanDerWaalsContact O-N 3.07Å; Q123-T127 PolarHBondContact O-N 3.06Å; Q123-T127 PolarHBondContact O-OG1 3.09Å; Q123-T127 VanDerWaalsContact O-OG1 3.14Å
124Y98.2Very high97.3Very high3 Ų366.2 Ų66.21%0.01237%0.371CS..Hα-helixtrans-60.9-43.5174.2-57.8-27000112.5L116 M120 L121 T126 T127 I128 M152 N153 D156L116-Y124 HydrophobicContact CD2-CD2 4.25Å; L116-Y124 HydrophobicContact CD2-CE2 4.4Å; M120-Y124 HydrophobicContact CB-CD2 4.26Å; M120-Y124 HydrophobicContact CB-CE1 4.04Å; M120-Y124 HydrophobicContact CB-CE2 3.59Å; M120-Y124 VanDerWaalsContact CB-CZ 3.48Å; M120-Y124 HydrophobicContact CE-CE1 4.04Å; M120-Y124 PolarHBondContact O-N 3Å; L121-Y124 PolarHBondContact O-N 3.47Å; Y124-T126 VanDerWaalsContact C-N 3.26Å; Y124-T126 PolarHBondContact O-N 2.95Å; Y124-T127 PolarHBondContact O-N 2.61Å; Y124-I128 WeakPolarHBondContact O-CG1 3.46Å; Y124-I128 PolarHBondContact O-N 2.79Å; Y124-M152 HydrophobicContact CD1-CE 4.47Å; Y124-M152 HydrophobicContact CD1-CG 3.69Å; Y124-M152 HydrophobicContact CD2-CE 4.25Å; Y124-M152 HydrophobicContact CD2-CG 4.22Å; Y124-M152 HydrophobicContact CE1-CB 4Å; Y124-M152 HydrophobicContact CE1-CG 3.54Å; Y124-M152 HydrophobicContact CE2-CG 4.08Å; Y124-M152 HydrophobicContact CG-CE 4.02Å; Y124-M152 HydrophobicContact CG-CG 4.03Å; Y124-N153 PolarHBondContact OH-N 3.08Å; Y124-N153 PolarHBondContact OH-ND2 3.09Å; Y124-N153 VanDerWaalsContact OH-ND2 3.13Å; Y124-D156 HydrophobicContact CE2-CB 3.79Å; Y124-D156 WeakPolarHBondContact CE2-OD2 3.34Å; Y124-D156 PolarHBondContact OH-OD2 2.8Å
125C98.1Very high97.4Very high15 Ų1557.8 Ų57.810%0.10133%0.332CS..Hα-helixtrans-60.2-37.1172.5-690000112R111 L121 Q123 K129R111-C125 PolarHBondContact NH1-SG 3.46Å; L121-C125 WeakPolarHBondContact O-CB 3.43Å; L121-C125 PolarHBondContact O-N 3.23Å; L121-C125 PolarHBondContact O-SG 2.87Å; Q123-C125 PolarHBondContact O-N 3.07Å; C125-K129 WeakPolarHBondContact O-CB 3.44Å; C125-K129 WeakPolarHBondContact O-CG 3.42Å; C125-K129 PolarHBondContact O-N 2.93Å
126T98.3Very high97.4Very high89 Ų8961.9 Ų61.955%0.54632%0.324SS..Hα-helixtrans-67-42.2176-58.60000111.3P122 Q123 Y124 K129 K130P122-T126 WeakPolarHBondContact O-CB 3.45Å; P122-T126 PolarHBondContact O-N 3.1Å; P122-T126 PolarHBondContact O-OG1 3.42Å; Q123-T126 CarbonylContact O-C 3.59Å; Q123-T126 WeakPolarHBondContact O-CA 3.34Å; Q123-T126 WeakPolarHBondContact O-CB 3.46Å; Q123-T126 PolarHBondContact O-N 2.76Å; Q123-T126 VanDerWaalsContact O-N 3.07Å; Y124-T126 VanDerWaalsContact C-N 3.26Å; Y124-T126 PolarHBondContact O-N 2.95Å; T126-K129 PolarHBondContact O-N 3.32Å; T126-K130 VanDerWaalsContact O-CB 3.25Å; T126-K130 WeakPolarHBondContact O-CB 3.48Å; T126-K130 PolarHBondContact O-N 3.32Å
127T98.3Very high97.5Very high30 Ų3063.7 Ų63.718%0.18434%0.335CS..Hα-helixtrans-63.2-46.6174.4-52.80000111.6Q123 Y124 K129 K130 A131 E149 M150Q123-T127 PolarHBondContact O-N 3.06Å; Q123-T127 PolarHBondContact O-OG1 3.09Å; Q123-T127 VanDerWaalsContact O-OG1 3.14Å; Y124-T127 PolarHBondContact O-N 2.61Å; T127-K129 VanDerWaalsContact C-N 3.27Å; T127-K129 PolarHBondContact O-N 3.22Å; T127-K130 PolarHBondContact O-N 2.85Å; T127-A131 VanDerWaalsContact O-CB 3.32Å; T127-A131 WeakPolarHBondContact O-CB 3.41Å; T127-A131 PolarHBondContact O-N 3.2Å; T127-E149 WeakPolarHBondContact CG2-O 3.37Å; T127-M150 HydrophobicContact CG2-CE 3.47Å; T127-M150 VanDerWaalsContact CG2-CE 3.47Å
128I98.1Very high97.5Very high0 Ų060.5 Ų60.50%032%0.318CS..Hα-helixtrans-54.5-44.3175.2-71.8168000111V103 V106 C107 L110 Y124 N132 I133 M150V103-I128 HydrophobicContact CG1-CG2 3.83Å; V106-I128 HydrophobicContact CB-CG2 4.46Å; V106-I128 HydrophobicContact CG1-CD1 4.25Å; V106-I128 HydrophobicContact CG1-CG2 3.97Å; C107-I128 VanDerWaalsContact SG-CG2 3.58Å; L110-I128 HydrophobicContact CB-CD1 4.42Å; L110-I128 HydrophobicContact CD1-CD1 4.48Å; L110-I128 HydrophobicContact CD2-CD1 3.85Å; L110-I128 HydrophobicContact CG-CD1 4.48Å; Y124-I128 WeakPolarHBondContact O-CG1 3.46Å; Y124-I128 PolarHBondContact O-N 2.79Å; I128-N132 PolarHBondContact O-N 3.34Å; I128-N132 VanDerWaalsContact O-N 3.16Å; I128-I133 HydrophobicContact CG2-CB 4.27Å; I128-I133 PolarHBondContact O-N 3.34Å; I128-M150 HydrophobicContact CB-CE 4.5Å; I128-M150 HydrophobicContact CD1-SD 4.42Å; I128-M150 HydrophobicContact CG1-CE 3.6Å; I128-M150 HydrophobicContact CG1-SD 3.78Å
129K98.2Very high97.6Very high112 Ų11255 Ų5549%0.48730%0.296SS..Hα-helixtrans-70.2-43.1177.8-73.1-177.5174.4-154.20113.4V103 D104 C125 T126 T127 N132V103-K129 HydrophobicContact CG1-CB 4.35Å; V103-K129 HydrophobicContact CG1-CG 3.71Å; D104-K129 WeakPolarHBondContact OD1-CE 3.49Å; D104-K129 IonicContact OD1-NZ 2.58Å; D104-K129 PolarHBondContact OD1-NZ 2.95Å; C125-K129 WeakPolarHBondContact O-CB 3.44Å; C125-K129 WeakPolarHBondContact O-CG 3.42Å; C125-K129 PolarHBondContact O-N 2.93Å; T126-K129 PolarHBondContact O-N 3.32Å; T127-K129 VanDerWaalsContact C-N 3.27Å; T127-K129 PolarHBondContact O-N 3.22Å; K129-N132 PolarHBondContact O-N 2.98Å
130K98.1Very high97.5Very high187 Ų18759.6 Ų59.681%0.81330%0.301SS*.Hα-helixtrans-65.6-41.1179.5-176.2-173.4174.5-166.80112.5T126 T127 N132T126-K130 VanDerWaalsContact O-CB 3.25Å; T126-K130 WeakPolarHBondContact O-CB 3.48Å; T126-K130 PolarHBondContact O-N 3.32Å; T127-K130 PolarHBondContact O-N 2.85Å; K130-N132 VanDerWaalsContact C-N 3.31Å
131A97.6Very high97.5Very high33 Ų3358.5 Ų58.527%0.27330%0.298SS..THydrogen-bonded Turntrans-85.40.3178.500000113.5T127 I133 E149T127-A131 VanDerWaalsContact O-CB 3.32Å; T127-A131 WeakPolarHBondContact O-CB 3.41Å; T127-A131 PolarHBondContact O-N 3.2Å; A131-I133 HydrophobicContact CB-CD1 3.7Å; A131-I133 HydrophobicContact CB-CG1 3.79Å; A131-I133 PolarHBondContact O-N 3.44Å; A131-E149 HydrophobicContact CB-CG 3.87Å; A131-E149 WeakPolarHBondContact CB-OE1 3.38Å
132N97.6Very high97.5Very high99 Ų9962 Ų6253%0.52932%0.316SS..THydrogen-bonded Turntrans5339.5-177.2-170.424000113.3V103 I128 K129 K130 N134V103-N132 VanDerWaalsContact CG2-OD1 3.3Å; V103-N132 WeakPolarHBondContact CG2-OD1 3.33Å; I128-N132 PolarHBondContact O-N 3.34Å; I128-N132 VanDerWaalsContact O-N 3.16Å; K129-N132 PolarHBondContact O-N 2.98Å; K130-N132 VanDerWaalsContact C-N 3.31Å; N132-N134 VanDerWaalsContact C-N 3.34Å; N132-N134 PolarHBondContact O-N 3.23Å; N132-N134 PolarHBondContact O-ND2 2.87Å
133I98Very high97.5Very high6 Ų659.2 Ų59.23%0.03130%0.297CS..  trans-74.889.6-178.5-66.4166.2000108.6I128 A131 L138 L146 E149 M150I128-I133 HydrophobicContact CG2-CB 4.27Å; I128-I133 PolarHBondContact O-N 3.34Å; A131-I133 HydrophobicContact CB-CD1 3.7Å; A131-I133 HydrophobicContact CB-CG1 3.79Å; A131-I133 PolarHBondContact O-N 3.44Å; I133-L138 HydrophobicContact CG2-CD1 4.18Å; I133-L138 HydrophobicContact CG2-CD2 3.51Å; I133-L138 HydrophobicContact CG2-CG 3.65Å; I133-L146 HydrophobicContact CD1-CD1 4.09Å; I133-L146 HydrophobicContact CG2-CD1 4.35Å; I133-E149 HydrophobicContact CD1-CG 4.12Å; I133-M150 HydrophobicContact CD1-CE 3.42Å; I133-M150 VanDerWaalsContact CD1-CE 3.42Å; I133-M150 HydrophobicContact CD1-CG 4.49Å; I133-M150 HydrophobicContact CD1-SD 3.9Å
134N97.4Very high97.5Very high32 Ų3257.7 Ų57.717%0.17129%0.293CS..  trans-96.4174.8174.363.478.8000111V103 N132 R136 V137 L138V103-N134 HydrophobicContact CG2-CB 3.89Å; N132-N134 VanDerWaalsContact C-N 3.34Å; N132-N134 PolarHBondContact O-N 3.23Å; N132-N134 PolarHBondContact O-ND2 2.87Å; N134-R136 VanDerWaalsContact C-N 3.34Å; N134-R136 PolarHBondContact O-N 3.45Å; N134-R136 WeakPolarHBondContact OD1-CB 3.32Å; N134-R136 PolarHBondContact OD1-N 3.32Å; N134-R136 VanDerWaalsContact OD1-N 3.08Å; N134-V137 WeakPolarHBondContact ND2-CG2 3.5Å; N134-V137 WeakPolarHBondContact O-CB 3.19Å; N134-V137 PolarHBondContact O-N 2.93Å; N134-V137 VanDerWaalsContact O-N 3.1Å; N134-V137 PolarHBondContact OD1-N 3.23Å; N134-L138 PolarHBondContact O-N 3.22Å
135G96.9Very high97.5Very high0 Ų063 Ų630%032%0.317CS..Hα-helixtrans-54.2-40.8-178.600000115.5L98 M101 V137 L138 A139L98-G135 CarbonylContact O-C 3.59Å; L98-G135 VanDerWaalsContact O-C 3.31Å; L98-G135 WeakPolarHBondContact O-CA 3.28Å; M101-G135 WeakPolarHBondContact O-CA 3.32Å; M101-G135 PolarHBondContact O-N 3.34Å; G135-V137 PolarHBondContact O-N 2.99Å; G135-L138 CarbonylContact O-C 3.54Å; G135-L138 PolarHBondContact O-N 2.9Å; G135-A139 WeakPolarHBondContact O-CB 3.47Å; G135-A139 PolarHBondContact O-N 3.47Å
136R96.2Very high97.4Very high162 Ų16262.6 Ų62.661%0.61132%0.315SS*.Hα-helixtrans-67.3-37.4177.9-61-178.9178-88.6-2.9112S99 N134 A139 Q140S99-R136 WeakPolarHBondContact O-CG 3.14Å; N134-R136 VanDerWaalsContact C-N 3.34Å; N134-R136 PolarHBondContact O-N 3.45Å; N134-R136 WeakPolarHBondContact OD1-CB 3.32Å; N134-R136 PolarHBondContact OD1-N 3.32Å; N134-R136 VanDerWaalsContact OD1-N 3.08Å; R136-A139 PolarHBondContact O-N 2.8Å; R136-Q140 PolarHBondContact O-N 2.92Å
137V97.7Very high97.4Very high56 Ų5662.8 Ų62.834%0.33931%0.308SS..Hα-helixtrans-62.6-48.5172.4177.60000109.2N134 G135 A139 Q140 C141N134-V137 WeakPolarHBondContact ND2-CG2 3.5Å; N134-V137 WeakPolarHBondContact O-CB 3.19Å; N134-V137 PolarHBondContact O-N 2.93Å; N134-V137 VanDerWaalsContact O-N 3.1Å; N134-V137 PolarHBondContact OD1-N 3.23Å; G135-V137 PolarHBondContact O-N 2.99Å; V137-A139 VanDerWaalsContact C-N 3.3Å; V137-A139 PolarHBondContact O-N 2.98Å; V137-Q140 PolarHBondContact O-N 3.34Å; V137-C141 HydrophobicContact CG1-CB 4.22Å; V137-C141 WeakPolarHBondContact O-CB 3.28Å; V137-C141 PolarHBondContact O-N 2.83Å; V137-C141 PolarHBondContact O-SG 3.45Å
138L97.4Very high97.4Very high1 Ų168.9 Ų68.91%0.00533%0.332CS..Hα-helixtrans-66-25.8179.2-71.2-176.7000114.5L98 V106 I133 N134 G135 L146 F160 V164 R168L98-L138 HydrophobicContact CD1-CB 3.97Å; L98-L138 HydrophobicContact CD2-CB 4.39Å; L98-L138 HydrophobicContact CG-CB 4.37Å; V106-L138 HydrophobicContact CB-CD1 4.37Å; V106-L138 HydrophobicContact CG1-CD1 3.5Å; V106-L138 VanDerWaalsContact CG1-CD1 3.5Å; V106-L138 HydrophobicContact CG2-CD1 3.87Å; I133-L138 HydrophobicContact CG2-CD1 4.18Å; I133-L138 HydrophobicContact CG2-CD2 3.51Å; I133-L138 HydrophobicContact CG2-CG 3.65Å; N134-L138 PolarHBondContact O-N 3.22Å; G135-L138 CarbonylContact O-C 3.54Å; G135-L138 PolarHBondContact O-N 2.9Å; L138-L146 HydrophobicContact CD2-CD1 3.84Å; L138-L146 HydrophobicContact CD2-CD2 3.69Å; L138-L146 HydrophobicContact CD2-CG 4.45Å; L138-F160 HydrophobicContact CD1-CZ 4.21Å; L138-F160 HydrophobicContact CD2-CE1 4.42Å; L138-F160 HydrophobicContact CD2-CZ 3.97Å; L138-V164 HydrophobicContact CB-CG1 4.46Å; L138-V164 HydrophobicContact CD1-CG2 4.21Å; L138-V164 HydrophobicContact CD2-CG1 4.46Å; L138-V164 HydrophobicContact CD2-CG2 4.01Å; L138-V164 WeakPolarHBondContact O-CG1 3.24Å; L138-R168 PolarHBondContact O-NE 2.82Å; L138-R168 PolarHBondContact O-NH2 3.04Å
139A96.4Very high97.3Very high17 Ų1773.9 Ų73.914%0.1436%0.355CS..Hα-helixtrans-71.7-33.3173.500000113L98 S99 G135 R136 V137 R168L98-A139 HydrophobicContact CD2-CB 4.09Å; L98-A139 HydrophobicContact CG-CB 4.2Å; S99-A139 WeakPolarHBondContact OG-CB 3.17Å; G135-A139 WeakPolarHBondContact O-CB 3.47Å; G135-A139 PolarHBondContact O-N 3.47Å; R136-A139 PolarHBondContact O-N 2.8Å; V137-A139 VanDerWaalsContact C-N 3.3Å; V137-A139 PolarHBondContact O-N 2.98Å; A139-R168 VanDerWaalsContact O-CZ 3.27Å; A139-R168 PolarHBondContact O-NE 3.45Å; A139-R168 VanDerWaalsContact O-NE 3.16Å
140Q95.6Very high97.3Very high157 Ų15768.7 Ų68.773%0.73433%0.332SS*.Hα-helixtrans-117.1-19.2-166-61-1772.400115.4R136 V137R136-Q140 PolarHBondContact O-N 2.92Å; V137-Q140 PolarHBondContact O-N 3.34Å
141C96.7Very high97.2Very high27 Ų2763.5 Ų63.518%0.18232%0.324CS..SBendtrans-65.4154.3-173.766.40000113.7V137 I143 R168V137-C141 HydrophobicContact CG1-CB 4.22Å; V137-C141 WeakPolarHBondContact O-CB 3.28Å; V137-C141 PolarHBondContact O-N 2.83Å; V137-C141 PolarHBondContact O-SG 3.45Å; C141-I143 PolarHBondContact O-N 3.24Å; C141-R168 PolarHBondContact O-NH1 3.44Å; C141-R168 VanDerWaalsContact O-NH1 3.16Å; C141-R168 PolarHBondContact O-NH2 2.95Å; C141-R168 PolarHBondContact SG-NH2 3.03Å
142N97.8Very high97.2Very high80 Ų8063 Ų6343%0.42832%0.317SS..  trans-68.2126.8167.4-177.3-10.9000109.4D144 E145 L146N142-D144 VanDerWaalsContact C-N 3.26Å; N142-D144 PolarHBondContact O-N 3Å; N142-D144 PolarHBondContact OD1-N 3.16Å; N142-D144 VanDerWaalsContact OD1-N 3.09Å; N142-E145 HydrophobicContact CB-CB 4.15Å; N142-E145 HydrophobicContact CB-CG 4.08Å; N142-E145 PolarHBondContact ND2-OE1 3.26Å; N142-E145 PolarHBondContact O-N 3.32Å; N142-E145 VanDerWaalsContact O-N 3.17Å; N142-L146 PolarHBondContact O-N 3.49Å
143I97.5Very high97.1Very high18 Ų1861.7 Ų61.79%0.09231%0.31CS..Hα-helixtrans-64.4-30.7-175.8-57.1-63.1000111.8C141 K147 W157 R161 V164 L165C141-I143 PolarHBondContact O-N 3.24Å; I143-K147 PolarHBondContact O-N 3.19Å; I143-W157 HydrophobicContact CG2-CH2 4.11Å; I143-W157 HydrophobicContact CG2-CZ2 3.69Å; I143-W157 WeakPolarHBondContact O-CH2 3.16Å; I143-W157 WeakPolarHBondContact O-CZ2 3.13Å; I143-R161 HydrophobicContact CG2-CG 3.9Å; I143-R161 VanDerWaalsContact CG2-CZ 3.49Å; I143-R161 VanDerWaalsContact CG2-NH1 3.29Å; I143-V164 HydrophobicContact CD1-CG1 4.27Å; I143-L165 HydrophobicContact CD1-CD2 4.14Å; I143-L165 HydrophobicContact CG1-CD2 4.32Å
144D97.2Very high97.1Very high87 Ų8768.8 Ų68.847%0.46534%0.341SS..Hα-helixtrans-85-11.5179.9-60.6-35.8000113.1N142 K148 R161N142-D144 VanDerWaalsContact C-N 3.26Å; N142-D144 PolarHBondContact O-N 3Å; N142-D144 PolarHBondContact OD1-N 3.16Å; N142-D144 VanDerWaalsContact OD1-N 3.09Å; D144-K148 WeakPolarHBondContact O-CD 3.33Å; D144-K148 WeakPolarHBondContact O-CE 3.42Å; D144-K148 WeakPolarHBondContact O-CG 3.32Å; D144-R161 IonicContact OD1-NH1 2.65Å; D144-R161 PolarHBondContact OD1-NH1 3.19Å
145E97.6Very high97.1Very high114 Ų11469.3 Ų69.353%0.53335%0.353SS..Hα-helixtrans-85.6-45.2165.3-70.7164.5-162.900110.2N142 K147 K148 E149N142-E145 HydrophobicContact CB-CB 4.15Å; N142-E145 HydrophobicContact CB-CG 4.08Å; N142-E145 PolarHBondContact ND2-OE1 3.26Å; N142-E145 PolarHBondContact O-N 3.32Å; N142-E145 VanDerWaalsContact O-N 3.17Å; E145-K147 PolarHBondContact O-N 2.9Å; E145-K148 WeakPolarHBondContact O-CB 3.35Å; E145-K148 PolarHBondContact O-N 3.45Å; E145-E149 PolarHBondContact O-N 3.39Å
146L97.7Very high97.2Very high8 Ų869.7 Ų69.74%0.04236%0.356CS..Hα-helixtrans-55-37.2172-177.468.3000111.6I133 L138 N142 K148 E149 M150 W157 F160I133-L146 HydrophobicContact CD1-CD1 4.09Å; I133-L146 HydrophobicContact CG2-CD1 4.35Å; L138-L146 HydrophobicContact CD2-CD1 3.84Å; L138-L146 HydrophobicContact CD2-CD2 3.69Å; L138-L146 HydrophobicContact CD2-CG 4.45Å; N142-L146 PolarHBondContact O-N 3.49Å; L146-K148 VanDerWaalsContact C-N 3.35Å; L146-K148 PolarHBondContact O-N 3.16Å; L146-E149 PolarHBondContact O-N 3.4Å; L146-M150 HydrophobicContact CD1-CG 3.75Å; L146-M150 HydrophobicContact CD1-SD 4.28Å; L146-M150 HydrophobicContact CG-CG 4.02Å; L146-M150 VanDerWaalsContact O-CB 3.28Å; L146-M150 WeakPolarHBondContact O-CB 3.41Å; L146-M150 WeakPolarHBondContact O-CG 3.38Å; L146-M150 PolarHBondContact O-N 3.21Å; L146-W157 HydrophobicContact CB-CH2 4.1Å; L146-W157 HydrophobicContact CD2-CH2 4.04Å; L146-W157 HydrophobicContact CD2-CZ3 4.29Å; L146-W157 HydrophobicContact CG-CH2 3.93Å; L146-W157 HydrophobicContact CG-CZ3 4.02Å; L146-F160 HydrophobicContact CD1-CE1 4.39Å; L146-F160 HydrophobicContact CD2-CE1 3.98Å; L146-F160 HydrophobicContact CG-CE1 4.3Å
147K97.7Very high97.3Very high92 Ų9262.1 Ų62.140%0.433%0.327SS..Hα-helixtrans-58.4-44.2173.7-170.7174.2-174.4-179.90112.8I143 E145 A151 W157I143-K147 PolarHBondContact O-N 3.19Å; E145-K147 PolarHBondContact O-N 2.9Å; K147-A151 PolarHBondContact O-N 3.01Å; K147-W157 VanDerWaalsContact CA-CH2 3.49Å; K147-W157 HydrophobicContact CB-CD2 4.17Å; K147-W157 HydrophobicContact CB-CE3 4.4Å; K147-W157 HydrophobicContact CB-CH2 3.79Å; K147-W157 HydrophobicContact CB-CZ2 3.49Å; K147-W157 VanDerWaalsContact CB-CZ2 3.49Å; K147-W157 HydrophobicContact CB-CZ3 4.23Å; K147-W157 HydrophobicContact CD-CD2 4.39Å; K147-W157 HydrophobicContact CD-CG 4.44Å; K147-W157 HydrophobicContact CD-CZ2 4.38Å; K147-W157 HydrophobicContact CG-CD2 3.8Å; K147-W157 HydrophobicContact CG-CE3 4.34Å; K147-W157 HydrophobicContact CG-CG 4.17Å; K147-W157 HydrophobicContact CG-CH2 4.49Å; K147-W157 HydrophobicContact CG-CZ2 3.95Å; K147-W157 VanDerWaalsContact N-CH2 3.33Å
148K97.4Very high97.3Very high158 Ų15863.6 Ų63.669%0.68733%0.33SS*.Hα-helixtrans-70.7-42.7-178.2-64.2163-169.1161.20110.8D144 E145 L146D144-K148 WeakPolarHBondContact O-CD 3.33Å; D144-K148 WeakPolarHBondContact O-CE 3.42Å; D144-K148 WeakPolarHBondContact O-CG 3.32Å; E145-K148 WeakPolarHBondContact O-CB 3.35Å; E145-K148 PolarHBondContact O-N 3.45Å; L146-K148 VanDerWaalsContact C-N 3.35Å; L146-K148 PolarHBondContact O-N 3.16Å
149E97.8Very high97.3Very high106 Ų10666.4 Ų66.450%0.49535%0.345SS..Hα-helixtrans-68-40.5179.2-168.860.6-151.200111.9T127 A131 I133 E145 L146T127-E149 WeakPolarHBondContact CG2-O 3.37Å; A131-E149 HydrophobicContact CB-CG 3.87Å; A131-E149 WeakPolarHBondContact CB-OE1 3.38Å; I133-E149 HydrophobicContact CD1-CG 4.12Å; E145-E149 PolarHBondContact O-N 3.39Å; L146-E149 PolarHBondContact O-N 3.4Å
150M97.1Very high97.4Very high2 Ų265.6 Ų65.61%0.0134%0.338CS..Hα-helixtrans-74.6-28.3-178.7-64.7-84.765.500113.9T127 I128 I133 L146 M152 W157 F160T127-M150 HydrophobicContact CG2-CE 3.47Å; T127-M150 VanDerWaalsContact CG2-CE 3.47Å; I128-M150 HydrophobicContact CB-CE 4.5Å; I128-M150 HydrophobicContact CD1-SD 4.42Å; I128-M150 HydrophobicContact CG1-CE 3.6Å; I128-M150 HydrophobicContact CG1-SD 3.78Å; I133-M150 HydrophobicContact CD1-CE 3.42Å; I133-M150 VanDerWaalsContact CD1-CE 3.42Å; I133-M150 HydrophobicContact CD1-CG 4.49Å; I133-M150 HydrophobicContact CD1-SD 3.9Å; L146-M150 HydrophobicContact CD1-CG 3.75Å; L146-M150 HydrophobicContact CD1-SD 4.28Å; L146-M150 HydrophobicContact CG-CG 4.02Å; L146-M150 VanDerWaalsContact O-CB 3.28Å; L146-M150 WeakPolarHBondContact O-CB 3.41Å; L146-M150 WeakPolarHBondContact O-CG 3.38Å; L146-M150 PolarHBondContact O-N 3.21Å; M150-M152 HydrophobicContact CB-CE 4.18Å; M150-M152 HydrophobicContact CB-CG 4.07Å; M150-M152 HydrophobicContact CB-SD 3.96Å; M150-M152 HydrophobicContact CG-CE 4.38Å; M150-M152 PolarHBondContact O-N 3.07Å; M150-M152 HydrophobicContact SD-CE 3.88Å; M150-W157 HydrophobicContact CB-CE3 4.48Å; M150-W157 HydrophobicContact CB-CZ3 4.34Å; M150-W157 HydrophobicContact CG-CZ3 4.3Å; M150-F160 HydrophobicContact CG-CD1 4.44Å; M150-F160 HydrophobicContact CG-CE1 3.89Å; M150-F160 HydrophobicContact SD-CD1 4.42Å; M150-F160 HydrophobicContact SD-CE1 3.61Å; M150-F160 HydrophobicContact SD-CZ 3.94Å
151A95.9Very high97.5Very high78 Ų7861.9 Ų61.965%0.64532%0.317SS*.  trans49.432.217700000114.6K147K147-A151 PolarHBondContact O-N 3.01Å
152M97.1Very high97.6Very high22 Ų2264 Ų6411%0.10833%0.332CS..  trans-72.1155.3-178.8-74.2164.517400112.7L110 Y124 M150 D156 W157 F160L110-M152 HydrophobicContact CD1-CE 3.78Å; Y124-M152 HydrophobicContact CD1-CE 4.47Å; Y124-M152 HydrophobicContact CD1-CG 3.69Å; Y124-M152 HydrophobicContact CD2-CE 4.25Å; Y124-M152 HydrophobicContact CD2-CG 4.22Å; Y124-M152 HydrophobicContact CE1-CB 4Å; Y124-M152 HydrophobicContact CE1-CG 3.54Å; Y124-M152 HydrophobicContact CE2-CG 4.08Å; Y124-M152 HydrophobicContact CG-CE 4.02Å; Y124-M152 HydrophobicContact CG-CG 4.03Å; M150-M152 HydrophobicContact CB-CE 4.18Å; M150-M152 HydrophobicContact CB-CG 4.07Å; M150-M152 HydrophobicContact CB-SD 3.96Å; M150-M152 HydrophobicContact CG-CE 4.38Å; M150-M152 PolarHBondContact O-N 3.07Å; M150-M152 HydrophobicContact SD-CE 3.88Å; M152-D156 HydrophobicContact CB-CB 4.21Å; M152-W157 HydrophobicContact CB-CB 3.92Å; M152-W157 HydrophobicContact SD-CE3 4.07Å; M152-F160 HydrophobicContact CE-CB 4.2Å; M152-F160 HydrophobicContact CE-CD1 3.79Å; M152-F160 HydrophobicContact CE-CD2 4.33Å; M152-F160 HydrophobicContact CE-CE1 4.21Å; M152-F160 HydrophobicContact CE-CG 3.86Å; M152-F160 HydrophobicContact SD-CB 3.84Å; M152-F160 HydrophobicContact SD-CD1 3.73Å; M152-F160 HydrophobicContact SD-CG 3.95Å
153N96.7Very high97.5Very high72 Ų7261.3 Ų61.339%0.38532%0.317SS..  trans-53.4155.7164.9-63.1-42.8000110.7Y124 G155 D156 W157Y124-N153 PolarHBondContact OH-N 3.08Å; Y124-N153 PolarHBondContact OH-ND2 3.09Å; Y124-N153 VanDerWaalsContact OH-ND2 3.13Å; N153-G155 VanDerWaalsContact C-N 3.33Å; N153-G155 PolarHBondContact O-N 3.49Å; N153-D156 HydrophobicContact CB-CB 4.34Å; N153-D156 WeakPolarHBondContact CB-OD2 3.38Å; N153-D156 PolarHBondContact ND2-OD2 2.75Å; N153-D156 PolarHBondContact O-N 3.14Å; N153-W157 VanDerWaalsContact O-CB 3.23Å; N153-W157 WeakPolarHBondContact O-CB 3.35Å; N153-W157 PolarHBondContact O-N 3.45Å
154F97.6Very high97.5Very high156 Ų15660.5 Ų60.568%0.68431%0.313SS*.Hα-helixtrans-55.2-44.3-178.4180-95.9000113.2H158F154-H158 AromaticContact CE1-CD2 3.97Å; F154-H158 AromaticContact CE2-CD2 3.76Å; F154-H158 AromaticContact CE2-NE2 3.58Å; F154-H158 AromaticContact CZ-CD2 3.66Å; F154-H158 AromaticContact CZ-NE2 3.56Å; F154-H158 PolarHBondContact O-CD2 3.17Å; F154-H158 VanDerWaalsContact O-CD2 3.32Å; F154-H158 PolarHBondContact O-N 2.8Å
155G97.5Very high97.5Very high42 Ų4259.9 Ų59.943%0.43331%0.31SS..Hα-helixtrans-65-58.617700000112.7N153 W157 H158 L159N153-G155 VanDerWaalsContact C-N 3.33Å; N153-G155 PolarHBondContact O-N 3.49Å; G155-W157 PolarHBondContact O-N 3.16Å; G155-H158 WeakPolarHBondContact O-CA 3.39Å; G155-H158 WeakPolarHBondContact O-CB 3.4Å; G155-H158 PolarHBondContact O-N 3.08Å; G155-L159 PolarHBondContact O-N 3.31Å
156D98Very high97.4Very high9 Ų960.6 Ų60.65%0.04831%0.313CS..Hα-helixtrans-52.2-42.1178.7-58-33.4000112.4L116 D117 Y124 M152 N153 L159 F160L116-D156 WeakPolarHBondContact CA-OD1 3.48Å; L116-D156 HydrophobicContact CD1-CB 4.46Å; L116-D156 HydrophobicContact CG-CB 4.26Å; D117-D156 WeakPolarHBondContact CB-OD2 3.18Å; D117-D156 PolarHBondContact N-OD1 2.89Å; Y124-D156 HydrophobicContact CE2-CB 3.79Å; Y124-D156 WeakPolarHBondContact CE2-OD2 3.34Å; Y124-D156 PolarHBondContact OH-OD2 2.8Å; M152-D156 HydrophobicContact CB-CB 4.21Å; N153-D156 HydrophobicContact CB-CB 4.34Å; N153-D156 WeakPolarHBondContact CB-OD2 3.38Å; N153-D156 PolarHBondContact ND2-OD2 2.75Å; N153-D156 PolarHBondContact O-N 3.14Å; D156-L159 PolarHBondContact O-N 2.95Å; D156-F160 WeakPolarHBondContact O-CB 3.34Å; D156-F160 PolarHBondContact O-N 3.35Å
157W98.2Very high97.2Very high3 Ų361.6 Ų61.61%0.01132%0.318CS..Hα-helixtrans-60.8-43.7175.2172.3-107.3000112.3I143 L146 K147 M150 M152 N153 G155 F160 R161I143-W157 HydrophobicContact CG2-CH2 4.11Å; I143-W157 HydrophobicContact CG2-CZ2 3.69Å; I143-W157 WeakPolarHBondContact O-CH2 3.16Å; I143-W157 WeakPolarHBondContact O-CZ2 3.13Å; L146-W157 HydrophobicContact CB-CH2 4.1Å; L146-W157 HydrophobicContact CD2-CH2 4.04Å; L146-W157 HydrophobicContact CD2-CZ3 4.29Å; L146-W157 HydrophobicContact CG-CH2 3.93Å; L146-W157 HydrophobicContact CG-CZ3 4.02Å; K147-W157 VanDerWaalsContact CA-CH2 3.49Å; K147-W157 HydrophobicContact CB-CD2 4.17Å; K147-W157 HydrophobicContact CB-CE3 4.4Å; K147-W157 HydrophobicContact CB-CH2 3.79Å; K147-W157 HydrophobicContact CB-CZ2 3.49Å; K147-W157 VanDerWaalsContact CB-CZ2 3.49Å; K147-W157 HydrophobicContact CB-CZ3 4.23Å; K147-W157 HydrophobicContact CD-CD2 4.39Å; K147-W157 HydrophobicContact CD-CG 4.44Å; K147-W157 HydrophobicContact CD-CZ2 4.38Å; K147-W157 HydrophobicContact CG-CD2 3.8Å; K147-W157 HydrophobicContact CG-CE3 4.34Å; K147-W157 HydrophobicContact CG-CG 4.17Å; K147-W157 HydrophobicContact CG-CH2 4.49Å; K147-W157 HydrophobicContact CG-CZ2 3.95Å; K147-W157 VanDerWaalsContact N-CH2 3.33Å; M150-W157 HydrophobicContact CB-CE3 4.48Å; M150-W157 HydrophobicContact CB-CZ3 4.34Å; M150-W157 HydrophobicContact CG-CZ3 4.3Å; M152-W157 HydrophobicContact CB-CB 3.92Å; M152-W157 HydrophobicContact SD-CE3 4.07Å; N153-W157 VanDerWaalsContact O-CB 3.23Å; N153-W157 WeakPolarHBondContact O-CB 3.35Å; N153-W157 PolarHBondContact O-N 3.45Å; G155-W157 PolarHBondContact O-N 3.16Å; W157-F160 HydrophobicContact CE3-CD1 4.24Å; W157-F160 AromaticContact CZ3-CD1 3.91Å; W157-F160 HydrophobicContact CZ3-CD1 3.91Å; W157-F160 HydrophobicContact CZ3-CE1 4.37Å; W157-R161 HydrophobicContact CH2-CB 4.46Å; W157-R161 HydrophobicContact CZ2-CB 4.01Å; W157-R161 HydrophobicContact CZ2-CG 4.23Å; W157-R161 WeakPolarHBondContact O-CB 3.32Å; W157-R161 PolarHBondContact O-N 3.49Å
158H98.3Very high97.1Very high86 Ų8659.4 Ų59.440%0.39831%0.307SS..Hα-helixtrans-66.7-38.2178.7-94-84.5000112.1F154 G155 S162F154-H158 AromaticContact CE1-CD2 3.97Å; F154-H158 AromaticContact CE2-CD2 3.76Å; F154-H158 AromaticContact CE2-NE2 3.58Å; F154-H158 AromaticContact CZ-CD2 3.66Å; F154-H158 AromaticContact CZ-NE2 3.56Å; F154-H158 PolarHBondContact O-CD2 3.17Å; F154-H158 VanDerWaalsContact O-CD2 3.32Å; F154-H158 PolarHBondContact O-N 2.8Å; G155-H158 WeakPolarHBondContact O-CA 3.39Å; G155-H158 WeakPolarHBondContact O-CB 3.4Å; G155-H158 PolarHBondContact O-N 3.08Å; H158-S162 WeakPolarHBondContact O-CB 3.33Å; H158-S162 PolarHBondContact O-N 3.38Å; H158-S162 PolarHBondContact O-OG 3.3Å
159L98.3Very high96.9Very high60 Ų6054.8 Ų54.831%0.31429%0.294SS..Hα-helixtrans-65.4-50174.5-60.1170.3000111.5I113 L116 G155 D156 R161 S162 M163I113-L159 HydrophobicContact CG2-CB 3.55Å; I113-L159 HydrophobicContact CG2-CD1 4.18Å; I113-L159 HydrophobicContact CG2-CG 4.37Å; L116-L159 HydrophobicContact CB-CD1 4.26Å; G155-L159 PolarHBondContact O-N 3.31Å; D156-L159 PolarHBondContact O-N 2.95Å; L159-R161 PolarHBondContact O-N 3.25Å; L159-S162 WeakPolarHBondContact O-CB 3.37Å; L159-S162 PolarHBondContact O-N 3.36Å; L159-S162 VanDerWaalsContact O-N 3.14Å; L159-M163 PolarHBondContact O-N 2.97Å
160F98.2Very high96.4Very high0 Ų052.9 Ų52.90%029%0.29CS..Hα-helixtrans-62.7-42.8177.5-179-114.9000112.8L110 I113 L138 L146 M150 M152 D156 W157 S162 M163 V164L110-F160 HydrophobicContact CD1-CB 4.4Å; L110-F160 HydrophobicContact CD1-CD2 3.42Å; L110-F160 VanDerWaalsContact CD1-CD2 3.42Å; L110-F160 HydrophobicContact CD1-CE2 3.89Å; L110-F160 HydrophobicContact CD1-CG 4.09Å; I113-F160 HydrophobicContact CD1-CB 4.21Å; I113-F160 HydrophobicContact CD1-CD2 4.09Å; L138-F160 HydrophobicContact CD1-CZ 4.21Å; L138-F160 HydrophobicContact CD2-CE1 4.42Å; L138-F160 HydrophobicContact CD2-CZ 3.97Å; L146-F160 HydrophobicContact CD1-CE1 4.39Å; L146-F160 HydrophobicContact CD2-CE1 3.98Å; L146-F160 HydrophobicContact CG-CE1 4.3Å; M150-F160 HydrophobicContact CG-CD1 4.44Å; M150-F160 HydrophobicContact CG-CE1 3.89Å; M150-F160 HydrophobicContact SD-CD1 4.42Å; M150-F160 HydrophobicContact SD-CE1 3.61Å; M150-F160 HydrophobicContact SD-CZ 3.94Å; M152-F160 HydrophobicContact CE-CB 4.2Å; M152-F160 HydrophobicContact CE-CD1 3.79Å; M152-F160 HydrophobicContact CE-CD2 4.33Å; M152-F160 HydrophobicContact CE-CE1 4.21Å; M152-F160 HydrophobicContact CE-CG 3.86Å; M152-F160 HydrophobicContact SD-CB 3.84Å; M152-F160 HydrophobicContact SD-CD1 3.73Å; M152-F160 HydrophobicContact SD-CG 3.95Å; D156-F160 WeakPolarHBondContact O-CB 3.34Å; D156-F160 PolarHBondContact O-N 3.35Å; W157-F160 HydrophobicContact CE3-CD1 4.24Å; W157-F160 AromaticContact CZ3-CD1 3.91Å; W157-F160 HydrophobicContact CZ3-CD1 3.91Å; W157-F160 HydrophobicContact CZ3-CE1 4.37Å; F160-S162 VanDerWaalsContact C-N 3.25Å; F160-S162 PolarHBondContact O-N 2.97Å; F160-M163 HydrophobicContact CD2-CE 3.7Å; F160-M163 HydrophobicContact CE2-CE 3.67Å; F160-M163 PolarHBondContact O-N 3.32Å; F160-V164 HydrophobicContact CD1-CG2 4.48Å; F160-V164 HydrophobicContact CD2-CG2 4.34Å; F160-V164 HydrophobicContact CE1-CG2 4.17Å; F160-V164 HydrophobicContact CE2-CG2 4.02Å; F160-V164 HydrophobicContact CZ-CG2 3.93Å; F160-V164 WeakPolarHBondContact O-CG2 3.33Å; F160-V164 PolarHBondContact O-N 3.37Å
161R98.1Very high96Very high80 Ų8053.9 Ų53.930%0.30230%0.295SS..Hα-helixtrans-59.1-37.3173.4177.3173.2174.1138.6-1.8111.6I143 D144 W157 L159 L165I143-R161 HydrophobicContact CG2-CG 3.9Å; I143-R161 VanDerWaalsContact CG2-CZ 3.49Å; I143-R161 VanDerWaalsContact CG2-NH1 3.29Å; D144-R161 IonicContact OD1-NH1 2.65Å; D144-R161 PolarHBondContact OD1-NH1 3.19Å; W157-R161 HydrophobicContact CH2-CB 4.46Å; W157-R161 HydrophobicContact CZ2-CB 4.01Å; W157-R161 HydrophobicContact CZ2-CG 4.23Å; W157-R161 WeakPolarHBondContact O-CB 3.32Å; W157-R161 PolarHBondContact O-N 3.49Å; L159-R161 PolarHBondContact O-N 3.25Å; R161-L165 HydrophobicContact CG-CD1 3.88Å; R161-L165 HydrophobicContact CG-CG 4.49Å; R161-L165 WeakPolarHBondContact O-CB 3.49Å; R161-L165 VanDerWaalsContact O-CG 3.24Å; R161-L165 WeakPolarHBondContact O-CG 3.33Å; R161-L165 PolarHBondContact O-N 3.38Å; R161-L165 VanDerWaalsContact O-N 3.07Å
162S97.9Very high95.2Very high70 Ų7056.3 Ų56.349%0.4930%0.297SS..Hα-helixtrans-67.6-50.2178.8-57.50000110.9H158 L159 F160 V164 L165 E166H158-S162 WeakPolarHBondContact O-CB 3.33Å; H158-S162 PolarHBondContact O-N 3.38Å; H158-S162 PolarHBondContact O-OG 3.3Å; L159-S162 WeakPolarHBondContact O-CB 3.37Å; L159-S162 PolarHBondContact O-N 3.36Å; L159-S162 VanDerWaalsContact O-N 3.14Å; F160-S162 VanDerWaalsContact C-N 3.25Å; F160-S162 PolarHBondContact O-N 2.97Å; S162-V164 VanDerWaalsContact C-N 3.33Å; S162-V164 PolarHBondContact O-N 3.41Å; S162-L165 PolarHBondContact O-N 2.88Å; S162-E166 WeakPolarHBondContact O-CB 3.5Å; S162-E166 PolarHBondContact O-N 3.13Å
163M96.8Very high93.8Very high25 Ų2563 Ų6312%0.12333%0.328CS..Hα-helixtrans-55.5-44.5174.3-175.8-163.172.500112.3K109 I113 L159 F160 L165 M167K109-M163 HydrophobicContact CB-CE 4.26Å; K109-M163 HydrophobicContact CB-SD 3.88Å; I113-M163 HydrophobicContact CD1-CB 4.17Å; I113-M163 HydrophobicContact CD1-CE 4.21Å; I113-M163 HydrophobicContact CD1-SD 3.73Å; I113-M163 HydrophobicContact CG1-SD 3.81Å; L159-M163 PolarHBondContact O-N 2.97Å; F160-M163 HydrophobicContact CD2-CE 3.7Å; F160-M163 HydrophobicContact CE2-CE 3.67Å; F160-M163 PolarHBondContact O-N 3.32Å; M163-L165 PolarHBondContact O-N 3.03Å; M163-M167 WeakPolarHBondContact O-CB 3.45Å; M163-M167 WeakPolarHBondContact O-CG 3.24Å; M163-M167 PolarHBondContact O-N 3.24Å
164V97.2Very high92Very high1 Ų163.3 Ų63.31%0.00633%0.332CS..Hα-helixtrans-65.2-39179.4171.50000111.9L138 I143 F160 S162 R168L138-V164 HydrophobicContact CB-CG1 4.46Å; L138-V164 HydrophobicContact CD1-CG2 4.21Å; L138-V164 HydrophobicContact CD2-CG1 4.46Å; L138-V164 HydrophobicContact CD2-CG2 4.01Å; L138-V164 WeakPolarHBondContact O-CG1 3.24Å; I143-V164 HydrophobicContact CD1-CG1 4.27Å; F160-V164 HydrophobicContact CD1-CG2 4.48Å; F160-V164 HydrophobicContact CD2-CG2 4.34Å; F160-V164 HydrophobicContact CE1-CG2 4.17Å; F160-V164 HydrophobicContact CE2-CG2 4.02Å; F160-V164 HydrophobicContact CZ-CG2 3.93Å; F160-V164 WeakPolarHBondContact O-CG2 3.33Å; F160-V164 PolarHBondContact O-N 3.37Å; S162-V164 VanDerWaalsContact C-N 3.33Å; S162-V164 PolarHBondContact O-N 3.41Å; V164-R168 WeakPolarHBondContact O-CG 3.41Å; V164-R168 PolarHBondContact O-N 3.11Å; V164-R168 VanDerWaalsContact O-N 3.08Å
165L96.5Very high89.4Confident74 Ų7461 Ų6139%0.38733%0.331SS..Hα-helixtrans-73.9-38.2179-70.4172000112.7I143 R161 S162 M163 R168 S169I143-L165 HydrophobicContact CD1-CD2 4.14Å; I143-L165 HydrophobicContact CG1-CD2 4.32Å; R161-L165 HydrophobicContact CG-CD1 3.88Å; R161-L165 HydrophobicContact CG-CG 4.49Å; R161-L165 WeakPolarHBondContact O-CB 3.49Å; R161-L165 VanDerWaalsContact O-CG 3.24Å; R161-L165 WeakPolarHBondContact O-CG 3.33Å; R161-L165 PolarHBondContact O-N 3.38Å; R161-L165 VanDerWaalsContact O-N 3.07Å; S162-L165 PolarHBondContact O-N 2.88Å; M163-L165 PolarHBondContact O-N 3.03Å; L165-R168 PolarHBondContact O-N 2.84Å; L165-S169 PolarHBondContact O-N 2.59Å
166E94.9Very high87Confident128 Ų12864.2 Ų64.260%0.59834%0.344SS*.Hα-helixtrans-59.9-49.1170.6178.4-175.9-156.600111S162 R168 S169 V170S162-E166 WeakPolarHBondContact O-CB 3.5Å; S162-E166 PolarHBondContact O-N 3.13Å; E166-R168 VanDerWaalsContact C-N 3.28Å; E166-R168 PolarHBondContact O-N 3.01Å; E166-S169 PolarHBondContact O-N 2.95Å; E166-S169 VanDerWaalsContact O-N 3.08Å; E166-S169 PolarHBondContact O-OG 3.08Å; E166-V170 WeakPolarHBondContact O-CG2 3.18Å; E166-V170 PolarHBondContact O-N 2.92Å
167M93.6Very high84.4Confident29 Ų2972.2 Ų72.214%0.14338%0.381CS..Hα-helixtrans-64.3-30.9179-76.6-151.872.300113.3L96 L98 M101 M163 E171L96-M167 VanDerWaalsContact O-CE 3.24Å; L96-M167 WeakPolarHBondContact O-CE 3.4Å; L98-M167 HydrophobicContact CB-CB 4.14Å; L98-M167 HydrophobicContact CB-CE 4.09Å; L98-M167 HydrophobicContact CD1-CB 4Å; L98-M167 HydrophobicContact CD1-CE 4.15Å; L98-M167 HydrophobicContact CD1-SD 4.01Å; L98-M167 HydrophobicContact CD2-CB 3.89Å; L98-M167 HydrophobicContact CG-CB 4.22Å; M101-M167 HydrophobicContact CE-CE 3.34Å; M101-M167 HydrophobicContact CE-SD 3.94Å; M101-M167 HydrophobicContact SD-CE 3.84Å; M101-M167 HydrophobicContact SD-SD 4.07Å; M163-M167 WeakPolarHBondContact O-CB 3.45Å; M163-M167 WeakPolarHBondContact O-CG 3.24Å; M163-M167 PolarHBondContact O-N 3.24Å; M167-E171 WeakPolarHBondContact O-CB 3.09Å; M167-E171 PolarHBondContact O-N 2.9Å; M167-E171 VanDerWaalsContact O-N 3.08Å
168R95.5Very high81.2Confident46 Ų4676.3 Ų76.317%0.17440%0.403CS..Hα-helixtrans-67.5-40.9169.8-75.5179.4-168.5-158.91112.6L98 L138 A139 C141 V164 L165 E166 N172L98-R168 HydrophobicContact CD2-CG 3.67Å; L138-R168 PolarHBondContact O-NE 2.82Å; L138-R168 PolarHBondContact O-NH2 3.04Å; A139-R168 VanDerWaalsContact O-CZ 3.27Å; A139-R168 PolarHBondContact O-NE 3.45Å; A139-R168 VanDerWaalsContact O-NE 3.16Å; C141-R168 PolarHBondContact O-NH1 3.44Å; C141-R168 VanDerWaalsContact O-NH1 3.16Å; C141-R168 PolarHBondContact O-NH2 2.95Å; C141-R168 PolarHBondContact SG-NH2 3.03Å; V164-R168 WeakPolarHBondContact O-CG 3.41Å; V164-R168 PolarHBondContact O-N 3.11Å; V164-R168 VanDerWaalsContact O-N 3.08Å; L165-R168 PolarHBondContact O-N 2.84Å; E166-R168 VanDerWaalsContact C-N 3.28Å; E166-R168 PolarHBondContact O-N 3.01Å; R168-N172 WeakPolarHBondContact O-CB 3.44Å; R168-N172 VanDerWaalsContact O-CG 3.27Å; R168-N172 PolarHBondContact O-N 3.49Å
169S93.1Very high78.5Confident61 Ų6178.2 Ų78.243%0.42742%0.423SS..Hα-helixtrans-72.5-33.3-179.271.10000112.5L165 E166 Q173L165-S169 PolarHBondContact O-N 2.59Å; E166-S169 PolarHBondContact O-N 2.95Å; E166-S169 VanDerWaalsContact O-N 3.08Å; E166-S169 PolarHBondContact O-OG 3.08Å; S169-Q173 PolarHBondContact O-N 3.05Å
170V88.8Confident75.4Confident67 Ų6783 Ų8341%0.40644%0.437SS..Hα-helixtrans-66.1-49.2170.71750000110.7E166 N172 Q173 V174E166-V170 WeakPolarHBondContact O-CG2 3.18Å; E166-V170 PolarHBondContact O-N 2.92Å; V170-N172 VanDerWaalsContact C-N 3.35Å; V170-N172 PolarHBondContact O-N 2.67Å; V170-Q173 PolarHBondContact O-N 3.33Å; V170-Q173 VanDerWaalsContact O-N 3.14Å; V170-V174 WeakPolarHBondContact O-CG2 3.49Å; V170-V174 PolarHBondContact O-N 2.92Å
171E88.1Confident72.2Confident22 Ų2292.4 Ų92.410%0.10348%0.478CS..Hα-helixtrans-60.4-41.7179.2178.7156.8-94.600112.5L97 L98 S99 M167 Q173 V174L97-E171 VanDerWaalsContact C-OE1 3.28Å; L97-E171 WeakPolarHBondContact CB-OE1 3.41Å; L97-E171 HydrophobicContact CD2-CG 4.33Å; L97-E171 HydrophobicContact CG-CG 4.15Å; L97-E171 WeakPolarHBondContact CG-OE1 3.48Å; L98-E171 HydrophobicContact CB-CB 4.48Å; L98-E171 PolarHBondContact N-OE1 3.06Å; S99-E171 WeakPolarHBondContact CB-OE1 3.43Å; S99-E171 VanDerWaalsContact CB-OE2 3.28Å; S99-E171 WeakPolarHBondContact CB-OE2 3.23Å; S99-E171 VanDerWaalsContact N-CD 3.34Å; S99-E171 PolarHBondContact N-OE1 3.38Å; S99-E171 PolarHBondContact N-OE2 2.83Å; S99-E171 VanDerWaalsContact N-OE2 3.09Å; S99-E171 PolarHBondContact OG-OE2 3.16Å; M167-E171 WeakPolarHBondContact O-CB 3.09Å; M167-E171 PolarHBondContact O-N 2.9Å; M167-E171 VanDerWaalsContact O-N 3.08Å; E171-Q173 PolarHBondContact O-N 3.18Å; E171-V174 PolarHBondContact O-N 3.07Å; E171-V174 VanDerWaalsContact O-N 3.07Å
172N79.7Confident69.2Low129 Ų12997 Ų9769%0.6951%0.508SS*.Hα-helixtrans-66.8-15.7177.9-75-8.8000114.5R168 V170R168-N172 WeakPolarHBondContact O-CB 3.44Å; R168-N172 VanDerWaalsContact O-CG 3.27Å; R168-N172 PolarHBondContact O-N 3.49Å; V170-N172 VanDerWaalsContact C-N 3.35Å; V170-N172 PolarHBondContact O-N 2.67Å
173Q67.6Low66.2Low163 Ų16399.4 Ų99.476%0.76252%0.515SS*.THydrogen-bonded Turntrans-94.5-3.7173.6-71.3-175.7108.200113.3S169 V170 E171 V175S169-Q173 PolarHBondContact O-N 3.05Å; V170-Q173 PolarHBondContact O-N 3.33Å; V170-Q173 VanDerWaalsContact O-N 3.14Å; E171-Q173 PolarHBondContact O-N 3.18Å; Q173-V175 PolarHBondContact O-N 3.21Å
174V58.7Low62.9Low78 Ų78106.9 Ų106.947%0.47355%0.55SS..  trans-103.145.2-178.8-175.40000110.9L97 V170 E171L97-V174 HydrophobicContact CD1-CB 4.43Å; L97-V174 HydrophobicContact CD1-CG1 4Å; V170-V174 WeakPolarHBondContact O-CG2 3.49Å; V170-V174 PolarHBondContact O-N 2.92Å; E171-V174 PolarHBondContact O-N 3.07Å; E171-V174 VanDerWaalsContact O-N 3.07Å
175V42.3Very low60Low108 Ų108112.7 Ų112.766%0.65558%0.581SS**  trans-117.987.5166.4-176.70000109.8Q173Q173-V175 PolarHBondContact O-N 3.21Å
176P47.3Very low56.7Low109 Ų109114.3 Ų114.371%0.70860%0.599SS**  trans-76.8130.6163-7.825.8000109.8
177E43.8Very low53.3Low178 Ų178114 Ų11483%0.83261%0.61SS**  trans-71.2132.5168.4-79.1-72.4115.400111
178D30.5Very low50.1Low89 Ų89116.6 Ų116.648%0.47664%0.636SS.*  trans0.5112.3-177.6-1601.6000120.8R180D178-R180 PolarHBondContact O-N 3.14Å; D178-R180 WeakPolarHBondContact OD1-CG 3.5Å; D178-R180 IonicContact OD1-NE 3.16Å; D178-R180 PolarHBondContact OD1-NE 2.89Å; D178-R180 IonicContact OD2-CZ 2.76Å; D178-R180 IonicContact OD2-NE 2.63Å; D178-R180 PolarHBondContact OD2-NE 3.36Å; D178-R180 IonicContact OD2-NH2 3.73Å; D178-R180 PolarHBondContact OD2-NH2 3.03Å
179P41.8Very low47.2Very low126 Ų126120.2 Ų120.282%0.81867%0.666SS**  trans-85.168177.836.6-36.6000113.4
180R32.8Very low44.4Very low159 Ų159124.7 Ų124.760%0.669%0.69SS**  trans-143.2103.6176.8-62.9-179.4-54.4114.4-0.2113.8D178D178-R180 PolarHBondContact O-N 3.14Å; D178-R180 WeakPolarHBondContact OD1-CG 3.5Å; D178-R180 IonicContact OD1-NE 3.16Å; D178-R180 PolarHBondContact OD1-NE 2.89Å; D178-R180 IonicContact OD2-CZ 2.76Å; D178-R180 IonicContact OD2-NE 2.63Å; D178-R180 PolarHBondContact OD2-NE 3.36Å; D178-R180 IonicContact OD2-NH2 3.73Å; D178-R180 PolarHBondContact OD2-NH2 3.03Å
181F31.1Very low41.6Very low199 Ų199126.1 Ų126.187%0.87371%0.709SS**  trans-177.685.2132.1-90-56.4000110
182L36.3Very low38.8Very low175 Ų175134.6 Ų134.692%0.91675%0.748SS**  trans-88.7125.3159.5-83.9176000109.5
183N34.3Very low36.3Very low121 Ų121131.4 Ų131.465%0.64775%0.746SS**  trans60.3109.3148.8-170.182.6000119.6N185N183-N185 PolarHBondContact OD1-OD1 2.88Å
184E27.5Very low34.4Very low182 Ų182132.9 Ų132.985%0.8575%0.753SS**  trans-136.5128.7142.3-174.572109.400107.9
185N35.3Very low32.9Very low123 Ų123134.7 Ų134.766%0.65877%0.769SS**  trans-104.1150.2-175.1-99.5118.6000112.4N183N183-N185 PolarHBondContact OD1-OD1 2.88Å
186S27.2Very low32.1Very low109 Ų109133.3 Ų133.376%0.76277%0.769SS**  trans78.4112.7155.576.20000119.7
187S25Very low31.2Very low121 Ų121139 Ų13985%0.84678%0.776SS**  172.6135.4121.2-78.20000110.4
188A26Very low30.6Very low83 Ų83141.9 Ų141.969%0.68678%0.78SS**  cis-159.3152.5-14.200000109.1
189P34.9Very low30.2Very low123 Ų123143.4 Ų143.480%0.79979%0.792SS**  trans-79.6134.617232-32.7000111.2A191P189-A191 PolarHBondContact O-N 3.4Å
190V32.6Very low29.4Very low154 Ų154141.9 Ų141.993%0.93378%0.784SS**  trans-86.3102.7169.2177.60000109.3
191A30.2Very low29.1Very low97 Ų97142.9 Ų142.980%0.80280%0.796SS**  trans-133.7130.4163.200000108.9P189P189-A191 PolarHBondContact O-N 3.4Å
192H29.3Very low28.8Very low200 Ų200138 Ų13893%0.92679%0.786SS**  trans-99.7125-171.9177.990000110.1
193G29Very low28.3Very low62 Ų62138.4 Ų138.464%0.63978%0.783SS**  trans15594.3173.900000116.9
194E27.1Very low28.2Very low194 Ų194140.7 Ų140.791%0.90780%0.795SS**  trans41.197.8136.9-55.8-170.2105.300121.8
195S25.9Very low29.1Very low116 Ų116136.9 Ų136.981%0.81179%0.785SS**  51.899.6111.7-156.40000121.3
196A26.5Very low28.9Very low80 Ų80140 Ų14066%0.66180%0.796SS**  92.8132123.200000123.2
197R28.9Very low29Very low228 Ų228140.3 Ų140.386%0.8679%0.793SS**  trans94.3103.8150.2-61.5156.8-178.8175.71.6120.5
198R30.2Very low29.2Very low239 Ų239142.6 Ų142.690%0.90279%0.791SS**  trans69.3157.2137.5-64.1-173.3-177.5-140-1.2116.4
199T21.9Very low29.7Very low120 Ų120146 Ų14674%0.73680%0.796SS**  cis-150.4167.9-6.3-117.60000109.8
200S25.3Very low29.3Very low94 Ų94145.4 Ų145.466%0.65780%0.795SS**  trans-54.7145.4-17954.50000118.3
201H26.2Very low29.1Very low181 Ų181142.2 Ų142.284%0.83878%0.78SS**  trans-158.6129.2130.2-92.3-84.2000105.9
202S25.9Very low29.3Very low96 Ų96146.4 Ų146.467%0.67178%0.783SS**  cis85.7102.443.2-167.50000113.2
203E26.2Very low29.3Very low184 Ų184143.5 Ų143.586%0.8678%0.779SS**  175.9179.6110-84-159.8129.700111.3
204L32.2Very low30.1Very low169 Ų169145.2 Ų145.289%0.88578%0.779SS**  trans-120.5-141.6-160.1-61.8166.2000113.8
205P45.9Very low30.6Very low101 Ų101146 Ų14666%0.65678%0.775SS**  -130.8153.1-124.538.6-17.8000117.1
206H29.8Very low31.1Very low189 Ų189146.7 Ų146.788%0.87578%0.775SS**  trans-137.596170.4-72.6-58.8000114.8
207T29.6Very low32Very low116 Ų116149 Ų14971%0.71278%0.776SS**  23.9121.8128.2-41.80000120.2
208E30Very low32.8Very low169 Ų169145.5 Ų145.579%0.7977%0.774SS**  trans22.8153135.1-36-172.915400121.2
209L36Very low33.9Very low154 Ų154140.1 Ų140.181%0.80676%0.757SS**  cis-16214418.9-174.868.7000110.4
210S26.3Very low35.1Very low110 Ų110137.9 Ų137.977%0.76975%0.746SS**  trans-166.7119.9141.9-147.90000115.9
211S29.5Very low35.8Very low88 Ų88139.1 Ų139.162%0.61574%0.74SS**  trans23122.5148.3640000123.6
212Q33Very low37.4Very low184 Ų184136.7 Ų136.786%0.8673%0.729SS**  trans63.8108.7134.8-59.9-177.711.500121.3
213T30.8Very low39Very low139 Ų139137.2 Ų137.285%0.85372%0.721SS**  -173.7135.4114.717.50000110.3
214P45.2Very low40.4Very low98 Ų98134.2 Ų134.264%0.63671%0.71SS**  trans-93.6157.3173.137.1-33.5000112.2
215Y38.2Very low41.3Very low210 Ų210131.2 Ų131.282%0.82470%0.695SS**  trans63.784172.5-44.8-64.3000116.5
216T35.6Very low41.3Very low131 Ų131131.8 Ų131.880%0.80470%0.697SS**  trans-112.1125.1142.7118.80000106.8
217L46.3Very low42.2Very low130 Ų130129.9 Ų129.968%0.68169%0.692SS**  trans-118.995.8178.9-69.6177.9000108F219L217-F219 HydrophobicContact CB-CD2 4.24Å; L217-F219 HydrophobicContact CB-CE2 3.88Å; L217-F219 HydrophobicContact CD1-CE2 4.21Å; L217-F219 HydrophobicContact CD2-CE2 4.49Å; L217-F219 HydrophobicContact CG-CE2 4.42Å; L217-F219 PolarHBondContact O-N 3.27Å
218N45.3Very low42.9Very low154 Ų154127.6 Ų127.682%0.82469%0.691SS**  trans-98.976.6-176.9-172.631.2000110.3
219F52.6Low43.4Very low126 Ų126127.2 Ų127.255%0.55369%0.694SS**  trans-78.7140.1173.8-65.1-69.4000111.2L217 E223L217-F219 HydrophobicContact CB-CD2 4.24Å; L217-F219 HydrophobicContact CB-CE2 3.88Å; L217-F219 HydrophobicContact CD1-CE2 4.21Å; L217-F219 HydrophobicContact CD2-CE2 4.49Å; L217-F219 HydrophobicContact CG-CE2 4.42Å; L217-F219 PolarHBondContact O-N 3.27Å; F219-E223 WeakPolarHBondContact CA-OE2 3.42Å
220S46.8Very low43.5Very low72 Ų72128 Ų12850%0.50370%0.699SS.*  trans-75.8152.7172.2-172.10000111.2E222 E223S220-E222 PolarHBondContact O-N 3.21Å; S220-E222 VanDerWaalsContact O-N 3.08Å; S220-E223 PolarHBondContact N-OE2 3.38Å; S220-E223 PolarHBondContact O-N 3.32Å
221F39.4Very low44.4Very low120 Ų120130 Ų13053%0.52670%0.696SS.*THydrogen-bonded Turntrans-55.5-28.5177.2-178.6-91.2000112.9R246F221-R246 VanDerWaalsContact CZ-NH2 3.32Å
222E61.1Low44.3Very low131 Ų131130 Ų13061%0.61271%0.71SS**THydrogen-bonded Turntrans-70.5-31.2178.4-143.664.5-147.500113S220 N225S220-E222 PolarHBondContact O-N 3.21Å; S220-E222 VanDerWaalsContact O-N 3.08Å; E222-N225 WeakPolarHBondContact O-CB 3.44Å; E222-N225 PolarHBondContact O-N 3.45Å
223E59.3Low44.1Very low107 Ų107124.7 Ų124.750%0.570%0.697SS.*THydrogen-bonded Turntrans-77.1-29.9-174.9-64.4174.711700112.5F219 S220 N225 T226F219-E223 WeakPolarHBondContact CA-OE2 3.42Å; S220-E223 PolarHBondContact N-OE2 3.38Å; S220-E223 PolarHBondContact O-N 3.32Å; E223-N225 VanDerWaalsContact C-N 3.25Å; E223-N225 PolarHBondContact O-N 3Å; E223-T226 PolarHBondContact O-OG1 3.18Å
224L56.3Low44.7Very low120 Ų120123.8 Ų123.863%0.62869%0.694SS**G310 helixtrans-73.1-18.1173-77.7166.6000113T226L224-T226 VanDerWaalsContact C-N 3.28Å; L224-T226 PolarHBondContact O-N 3.34Å
225N50.5Low44.7Very low107 Ų107129.9 Ų129.957%0.57270%0.704SS**G310 helixtrans-82.9-3.4-170-147.629.3000113.2E222 E223E222-N225 WeakPolarHBondContact O-CB 3.44Å; E222-N225 PolarHBondContact O-N 3.45Å; E223-N225 VanDerWaalsContact C-N 3.25Å; E223-N225 PolarHBondContact O-N 3Å
226T46.8Very low44.4Very low113 Ų113129.5 Ų129.569%0.69371%0.71SS**G310 helixtrans-106.5-1.8-175.756.20000114.5E223 L224 G228E223-T226 PolarHBondContact O-OG1 3.18Å; L224-T226 VanDerWaalsContact C-N 3.28Å; L224-T226 PolarHBondContact O-N 3.34Å; T226-G228 VanDerWaalsContact C-N 3.33Å
227L48.3Very low44.1Very low149 Ų149128 Ų12878%0.7870%0.704SS**  trans-92.113.2178-66.9172000113.6
228G44Very low43.4Very low67 Ų67128.9 Ų128.969%0.69171%0.71SS**  trans-82123.3170.600000111.6T226T226-G228 VanDerWaalsContact C-N 3.33Å
229L40.8Very low42.9Very low162 Ų162128.5 Ų128.585%0.84871%0.707SS**  trans-58.6138.3179.8-71.5157.3000113.3
230D37.3Very low42.6Very low169 Ų169127.7 Ų127.790%0.90472%0.717SS**  trans-121.6124.9150.1-174.140.8000107.4
231E44.5Very low42Very low153 Ų153135 Ų13572%0.71573%0.734SS**  trans-116.9133.5-166.9-173.2177.7120.600112.5
232G28.3Very low42Very low87 Ų87138.5 Ų138.590%0.89775%0.752SS**  trans-112.740.4-171.100000116.4
233A28.7Very low40.6Very low73 Ų73138 Ų13860%0.60376%0.763SS**  trans-138.3133.6173.900000112.6
234P43.3Very low39.4Very low120 Ų120141.5 Ų141.578%0.77978%0.779SS**  trans-99.8143.9-169.637.3-35.5000115.5
235R44.8Very low38.3Very low226 Ų226141.5 Ų141.585%0.85378%0.784SS**  trans8863.2159.1-55.8-159.7170.3111.33.3120.1
236H32.1Very low37.9Very low202 Ų202145.6 Ų145.694%0.93579%0.792SS**  -118.7157.1128.4-64.5-70.7000109.3
237S30.1Very low37.5Very low99 Ų99151.6 Ų151.669%0.69280%0.802SS**  trans-125.5116.4-149.6590000116.2
238N31.3Very low36.7Very low150 Ų150150.3 Ų150.380%0.80280%0.8SS**  trans68.7148.9167.9-40.2-59.5000114.6
239L35.1Very low36.4Very low146 Ų146153.3 Ų153.376%0.76481%0.807SS**  cis-120164.412.3-62.989.5000113
240S46.8Very low35.9Very low109 Ų109150 Ų15076%0.76280%0.798SS**  trans-124.7101.3-17657.60000112.5
241W34Very low36.3Very low225 Ų225151 Ų15185%0.85280%0.802SS**  trans-14785.2174.8-73111.8000113.8
242Q37.8Very low36.2Very low194 Ų194148.4 Ų148.491%0.90780%0.801SS**  trans-175.2109.1138.5-107.2165.487.200111.8
243S32.6Very low36.9Very low120 Ų120149.5 Ų149.584%0.83980%0.795SS**  trans-169.485.5166.1-83.70000110.7
244Q33.8Very low37.5Very low180 Ų180154.7 Ų154.784%0.84181%0.812SS**  trans-15890.5164.3-162.674.6-8.200112.6
245T33.6Very low38Very low121 Ų121154.6 Ų154.674%0.74280%0.804SS**  trans29.9105.4147.3-48.10000121.2
246R42.8Very low38.3Very low193 Ų193147.4 Ų147.473%0.72879%0.789SS**  trans33.298.1140.8-56.8-176.1-172.1-99.36119.5F221F221-R246 VanDerWaalsContact CZ-NH2 3.32Å
247R37.4Very low39.2Very low239 Ų239145 Ų14590%0.90278%0.778SS**  -151.3148.8125.8-78.9-153176.8-172.2-0.6110.4
248T31.4Very low40.3Very low121 Ų121145.4 Ų145.474%0.74277%0.773SS**  trans20.9114.6162.750.40000119S250T248-S250 PolarHBondContact O-N 2.77Å
249P37Very low41.5Very low130 Ų130140.8 Ų140.884%0.84475%0.752SS**  trans-74.7117.2175.530.9-33.1000112
250S32.2Very low42.8Very low94 Ų94136 Ų13666%0.65773%0.731SS**  trans-91.8135.4166.1-62.50000110.1T248 S252T248-S250 PolarHBondContact O-N 2.77Å; S250-S252 PolarHBondContact O-N 3.43Å
251L43.9Very low43.8Very low189 Ų189134.9 Ų134.999%0.9972%0.715SS**SBendtrans-79.245.4-173-64.1174000113.9
252S42.2Very low45.8Very low98 Ų98130.1 Ų130.169%0.68570%0.702SS**  trans-134.717.8-169.552.70000115.5S250S250-S252 PolarHBondContact O-N 3.43Å
253S43.4Very low47.6Very low110 Ų110122.5 Ų122.577%0.76967%0.668SS**  trans-131.648.7-179.4-63.60000114.3
254L41.8Very low49.7Very low183 Ų183120.6 Ų120.696%0.95865%0.654SS**  trans-105.649160.1-72.7179.3000111.1
255N53.5Low52.2Low117 Ų117119.3 Ų119.363%0.62665%0.646SS**  trans-118.189.7164.6-175.416.9000108.5Q257N255-Q257 PolarHBondContact O-N 3.46Å
256S51.7Low54.8Low75 Ų75117.3 Ų117.352%0.52463%0.63SS.*  trans-57.8112.3172-61.10000108.7D258 S259 S260S256-D258 PolarHBondContact O-N 3.08Å; S256-D258 VanDerWaalsContact O-N 3.16Å; S256-S259 WeakPolarHBondContact CB-OG 3.38Å; S256-S259 WeakPolarHBondContact O-CA 3.33Å; S256-S259 WeakPolarHBondContact O-CB 3.34Å; S256-S259 PolarHBondContact O-N 3.45Å; S256-S260 PolarHBondContact O-N 3.42Å; S256-S260 VanDerWaalsContact O-N 3.13Å
257Q51.4Low57.1Low153 Ų153112.7 Ų112.772%0.71562%0.624SS**Hα-helixtrans-62.7-29.7-169.7-161.2164.8-1200111.7N255 S260 I261N255-Q257 PolarHBondContact O-N 3.46Å; Q257-S260 WeakPolarHBondContact O-CB 3.48Å; Q257-S260 PolarHBondContact O-N 3.16Å; Q257-I261 WeakPolarHBondContact O-CD1 3.2Å; Q257-I261 WeakPolarHBondContact O-CG1 3.47Å; Q257-I261 PolarHBondContact O-N 2.9Å; Q257-I261 VanDerWaalsContact O-N 3.16Å
258D53.1Low59.7Low107 Ų107107.7 Ų107.757%0.57262%0.615SS**Hα-helixtrans-66.7-40.1171-54.2-85.3000113.2S256 S260 I261 E262S256-D258 PolarHBondContact O-N 3.08Å; S256-D258 VanDerWaalsContact O-N 3.16Å; D258-S260 VanDerWaalsContact C-N 3.32Å; D258-S260 PolarHBondContact O-N 3.07Å; D258-I261 CarbonylContact O-C 3.52Å; D258-I261 WeakPolarHBondContact O-CA 3.42Å; D258-I261 WeakPolarHBondContact O-CB 3.4Å; D258-I261 PolarHBondContact O-N 3.44Å; D258-E262 PolarHBondContact O-N 3.16Å
259S56.8Low62.7Low52 Ų52109.5 Ų109.536%0.36461%0.612SS.*Hα-helixtrans-64.8-37.2174.7-550000111.6S256 I261 E262 I263S256-S259 WeakPolarHBondContact CB-OG 3.38Å; S256-S259 WeakPolarHBondContact O-CA 3.33Å; S256-S259 WeakPolarHBondContact O-CB 3.34Å; S256-S259 PolarHBondContact O-N 3.45Å; S259-I261 VanDerWaalsContact C-N 3.29Å; S259-I261 PolarHBondContact O-N 3.07Å; S259-E262 PolarHBondContact O-N 3.45Å; S259-I263 WeakPolarHBondContact O-CB 3.46Å; S259-I263 WeakPolarHBondContact O-CD1 3.31Å; S259-I263 WeakPolarHBondContact O-CG1 3.4Å; S259-I263 PolarHBondContact O-N 2.92Å
260S60.7Low65.5Low46 Ų46106 Ų10632%0.32259%0.588SS.*Hα-helixtrans-59.9-39.8170.4-177.40000111.9S256 Q257 D258 S264S256-S260 PolarHBondContact O-N 3.42Å; S256-S260 VanDerWaalsContact O-N 3.13Å; Q257-S260 WeakPolarHBondContact O-CB 3.48Å; Q257-S260 PolarHBondContact O-N 3.16Å; D258-S260 VanDerWaalsContact C-N 3.32Å; D258-S260 PolarHBondContact O-N 3.07Å; S260-S264 VanDerWaalsContact O-CB 3.29Å; S260-S264 WeakPolarHBondContact O-CB 3.45Å; S260-S264 PolarHBondContact O-N 3.25Å; S260-S264 PolarHBondContact O-OG 2.97Å
261I68.8Low68.4Low86 Ų86102.6 Ų102.644%0.44156%0.562SS.*Hα-helixtrans-68.9-33176.6-69.9163000112Q257 D258 S259 K265Q257-I261 WeakPolarHBondContact O-CD1 3.2Å; Q257-I261 WeakPolarHBondContact O-CG1 3.47Å; Q257-I261 PolarHBondContact O-N 2.9Å; Q257-I261 VanDerWaalsContact O-N 3.16Å; D258-I261 CarbonylContact O-C 3.52Å; D258-I261 WeakPolarHBondContact O-CA 3.42Å; D258-I261 WeakPolarHBondContact O-CB 3.4Å; D258-I261 PolarHBondContact O-N 3.44Å; S259-I261 VanDerWaalsContact C-N 3.29Å; S259-I261 PolarHBondContact O-N 3.07Å; I261-K265 WeakPolarHBondContact O-CD 3.42Å; I261-K265 WeakPolarHBondContact O-CE 3.23Å; I261-K265 VanDerWaalsContact O-CG 3.31Å; I261-K265 WeakPolarHBondContact O-CG 3.49Å
262E74.9Confident70.7Confident124 Ų12495.7 Ų95.758%0.57953%0.532SS*.Hα-helixtrans-77.3-44.1174.8-67.3-165.414600113D258 S259 S264 K265 L266D258-E262 PolarHBondContact O-N 3.16Å; S259-E262 PolarHBondContact O-N 3.45Å; E262-S264 PolarHBondContact O-N 3.45Å; E262-K265 WeakPolarHBondContact O-CB 3.29Å; E262-K265 PolarHBondContact O-N 2.86Å; E262-L266 PolarHBondContact O-N 3.13Å
263I76.6Confident73.2Confident35 Ų3596.6 Ų96.618%0.17953%0.526CS..Hα-helixtrans-54.4-42.4172-67.6161.6000110S259 K265 L266 Q271 Y274S259-I263 WeakPolarHBondContact O-CB 3.46Å; S259-I263 WeakPolarHBondContact O-CD1 3.31Å; S259-I263 WeakPolarHBondContact O-CG1 3.4Å; S259-I263 PolarHBondContact O-N 2.92Å; I263-K265 PolarHBondContact O-N 3.28Å; I263-L266 PolarHBondContact O-N 3.22Å; I263-Q271 HydrophobicContact CG2-CG 4.27Å; I263-Q271 VanDerWaalsContact O-CG 3.23Å; I263-Q271 WeakPolarHBondContact O-CG 3.39Å; I263-Q271 PolarHBondContact O-NE2 3Å; I263-Y274 HydrophobicContact CD1-CD1 4.07Å; I263-Y274 HydrophobicContact CD1-CE1 3.45Å; I263-Y274 VanDerWaalsContact CD1-CE1 3.45Å; I263-Y274 HydrophobicContact CG1-CD1 4.29Å; I263-Y274 HydrophobicContact CG1-CE1 4.06Å
264S77.5Confident75.7Confident80 Ų8096.9 Ų96.956%0.55951%0.511SS*.THydrogen-bonded Turntrans-69.5-10.3178.6-56.90000115S260 E262S260-S264 VanDerWaalsContact O-CB 3.29Å; S260-S264 WeakPolarHBondContact O-CB 3.45Å; S260-S264 PolarHBondContact O-N 3.25Å; S260-S264 PolarHBondContact O-OG 2.97Å; E262-S264 PolarHBondContact O-N 3.45Å
265K84.6Confident78.1Confident152 Ų15294.5 Ų94.566%0.66149%0.489SS*.THydrogen-bonded Turntrans-93.7-16.9173.5-66.6162.5-164.7163.40113I261 E262 I263I261-K265 WeakPolarHBondContact O-CD 3.42Å; I261-K265 WeakPolarHBondContact O-CE 3.23Å; I261-K265 VanDerWaalsContact O-CG 3.31Å; I261-K265 WeakPolarHBondContact O-CG 3.49Å; E262-K265 WeakPolarHBondContact O-CB 3.29Å; E262-K265 PolarHBondContact O-N 2.86Å; I263-K265 PolarHBondContact O-N 3.28Å
266L88.2Confident80.1Confident80 Ų8092.8 Ų92.842%0.41948%0.48SS..SBendtrans-74151176.1-76.1147.6000110.2E262 I263 V270 Q271E262-L266 PolarHBondContact O-N 3.13Å; I263-L266 PolarHBondContact O-N 3.22Å; L266-V270 HydrophobicContact CB-CB 4.44Å; L266-V270 HydrophobicContact CD2-CB 4.26Å; L266-V270 HydrophobicContact CD2-CG1 3.88Å; L266-Q271 HydrophobicContact CB-CG 4.19Å; L266-Q271 PolarHBondContact O-NE2 3.31Å
267T91.8Very high82.2Confident96 Ų9692 Ų9259%0.58948%0.477SS*.  trans-65.2151.1177.357.90000111K269 V270 Q271T267-K269 PolarHBondContact O-N 3.43Å; T267-V270 PolarHBondContact O-N 3.02Å; T267-Q271 PolarHBondContact O-N 2.9Å
268D92.4Very high84.3Confident133 Ų13390.9 Ų90.971%0.71147%0.468SS*.Hα-helixtrans-51.1-36.7-174.9-58.8-33.1000113.6Q271 A272D268-Q271 PolarHBondContact O-N 2.7Å; D268-A272 WeakPolarHBondContact O-CB 3.25Å; D268-A272 PolarHBondContact O-N 2.89Å
269K94.4Very high86.4Confident160 Ų16092.2 Ų92.270%0.69647%0.465SS*.Hα-helixtrans-58.7-48.3174.9-174.2-170.1171.9-166.10111.7T267 A272 E273T267-K269 PolarHBondContact O-N 3.43Å; K269-A272 PolarHBondContact O-N 3.19Å; K269-E273 WeakPolarHBondContact O-CB 3.28Å; K269-E273 PolarHBondContact O-N 3.35Å
270V95.3Very high88.1Confident56 Ų5695.2 Ų95.234%0.33947%0.473SS..Hα-helixtrans-78.4-28.4-177.4-171.10000111.1L266 T267 A272 E273 Y274L266-V270 HydrophobicContact CB-CB 4.44Å; L266-V270 HydrophobicContact CD2-CB 4.26Å; L266-V270 HydrophobicContact CD2-CG1 3.88Å; T267-V270 PolarHBondContact O-N 3.02Å; V270-A272 VanDerWaalsContact C-N 3.34Å; V270-E273 PolarHBondContact O-N 3.34Å; V270-Y274 VanDerWaalsContact O-CB 3.28Å; V270-Y274 WeakPolarHBondContact O-CB 3.33Å; V270-Y274 PolarHBondContact O-N 2.85Å
271Q93.5Very high89.8Confident23 Ų2399.3 Ų99.311%0.10748%0.482CS..Hα-helixtrans-62.2-40.9166.8-70-170.234.800112.2I263 L266 T267 D268 R275I263-Q271 HydrophobicContact CG2-CG 4.27Å; I263-Q271 VanDerWaalsContact O-CG 3.23Å; I263-Q271 WeakPolarHBondContact O-CG 3.39Å; I263-Q271 PolarHBondContact O-NE2 3Å; L266-Q271 HydrophobicContact CB-CG 4.19Å; L266-Q271 PolarHBondContact O-NE2 3.31Å; T267-Q271 PolarHBondContact O-N 2.9Å; D268-Q271 PolarHBondContact O-N 2.7Å; Q271-R275 WeakPolarHBondContact O-CB 3.22Å; Q271-R275 WeakPolarHBondContact O-CG 3.41Å; Q271-R275 PolarHBondContact O-N 3.09Å
272A92.7Very high91Very high44 Ų4499.3 Ų99.336%0.36448%0.483SS..Hα-helixtrans-65.6-49.5174.200000110.8D268 K269 V270 Y274 R275 D276D268-A272 WeakPolarHBondContact O-CB 3.25Å; D268-A272 PolarHBondContact O-N 2.89Å; K269-A272 PolarHBondContact O-N 3.19Å; V270-A272 VanDerWaalsContact C-N 3.34Å; A272-Y274 VanDerWaalsContact C-N 3.32Å; A272-Y274 PolarHBondContact O-N 3.03Å; A272-R275 CarbonylContact O-C 3.57Å; A272-R275 PolarHBondContact O-N 2.95Å; A272-R275 VanDerWaalsContact O-N 3.09Å; A272-D276 WeakPolarHBondContact O-CB 3.41Å; A272-D276 PolarHBondContact O-N 2.91Å; A272-D276 VanDerWaalsContact O-OD1 3.06Å
273E94.8Very high91.9Very high116 Ų11695.9 Ų95.954%0.54248%0.475SS..Hα-helixtrans-56.2-42.8177.6-165.8168.3171.100112.4K269 V270 D276 A277K269-E273 WeakPolarHBondContact O-CB 3.28Å; K269-E273 PolarHBondContact O-N 3.35Å; V270-E273 PolarHBondContact O-N 3.34Å; E273-D276 PolarHBondContact O-N 2.93Å; E273-A277 WeakPolarHBondContact O-CB 3.42Å; E273-A277 PolarHBondContact O-N 3.44Å
274Y94.4Very high92.6Very high116 Ų11699.2 Ų99.246%0.45549%0.49SS..Hα-helixtrans-64.1-45.8173.2-178.8-89.6000112.7I263 V270 A272 D276 Y278I263-Y274 HydrophobicContact CD1-CD1 4.07Å; I263-Y274 HydrophobicContact CD1-CE1 3.45Å; I263-Y274 VanDerWaalsContact CD1-CE1 3.45Å; I263-Y274 HydrophobicContact CG1-CD1 4.29Å; I263-Y274 HydrophobicContact CG1-CE1 4.06Å; V270-Y274 VanDerWaalsContact O-CB 3.28Å; V270-Y274 WeakPolarHBondContact O-CB 3.33Å; V270-Y274 PolarHBondContact O-N 2.85Å; A272-Y274 VanDerWaalsContact C-N 3.32Å; A272-Y274 PolarHBondContact O-N 3.03Å; Y274-D276 PolarHBondContact O-N 3.02Å; Y274-Y278 VanDerWaalsContact O-CB 3.25Å; Y274-Y278 WeakPolarHBondContact O-CB 3.49Å; Y274-Y278 PolarHBondContact O-N 3.35Å
275R93.1Very high92.9Very high133 Ų13399.5 Ų99.550%0.50248%0.483SS..Hα-helixtrans-62.8-31.8175.9-74.9171.3-173.4137.912.9112Q271 A272 R279Q271-R275 WeakPolarHBondContact O-CB 3.22Å; Q271-R275 WeakPolarHBondContact O-CG 3.41Å; Q271-R275 PolarHBondContact O-N 3.09Å; A272-R275 CarbonylContact O-C 3.57Å; A272-R275 PolarHBondContact O-N 2.95Å; A272-R275 VanDerWaalsContact O-N 3.09Å; R275-R279 WeakPolarHBondContact O-CG 3.38Å; R275-R279 PolarHBondContact O-N 2.98Å; R275-R279 PolarHBondContact O-NH1 2.87Å
276D95.9Very high92.9Very high82 Ų8296.1 Ų96.144%0.43948%0.479SS..Hα-helixtrans-78-48.8-178.9-79.338.3000110.8A272 E273 Y274 Y278 R279 E280A272-D276 WeakPolarHBondContact O-CB 3.41Å; A272-D276 PolarHBondContact O-N 2.91Å; A272-D276 VanDerWaalsContact O-OD1 3.06Å; E273-D276 PolarHBondContact O-N 2.93Å; Y274-D276 PolarHBondContact O-N 3.02Å; D276-Y278 VanDerWaalsContact C-N 3.27Å; D276-Y278 PolarHBondContact O-N 3.25Å; D276-R279 PolarHBondContact O-N 3.24Å; D276-R279 VanDerWaalsContact O-N 3.13Å; D276-R279 IonicContact OD1-CZ 3.64Å; D276-R279 IonicContact OD1-NH1 2.92Å; D276-R279 PolarHBondContact OD1-NH1 3.33Å; D276-R279 IonicContact OD1-NH2 2.93Å; D276-R279 PolarHBondContact OD1-NH2 3.36Å; D276-R279 IonicContact OD2-CZ 2.67Å; D276-R279 IonicContact OD2-NH2 3.72Å; D276-R279 PolarHBondContact OD2-NH2 3.15Å; D276-E280 PolarHBondContact O-N 3.32Å
277A95.6Very high92.2Very high57 Ų5799.6 Ų99.647%0.47149%0.493SS..Hα-helixtrans-58.8-36.7172.300000112.6E273 E280 Y281E273-A277 WeakPolarHBondContact O-CB 3.42Å; E273-A277 PolarHBondContact O-N 3.44Å; A277-E280 PolarHBondContact O-N 3.47Å; A277-Y281 WeakPolarHBondContact O-CB 3.44Å; A277-Y281 PolarHBondContact O-N 3.46Å
278Y95.5Very high91.1Very high130 Ų130101.3 Ų101.351%0.5150%0.498SS..Hα-helixtrans-67.8-38.7175.4-174.7-107000112.8Y274 D276 I282Y274-Y278 VanDerWaalsContact O-CB 3.25Å; Y274-Y278 WeakPolarHBondContact O-CB 3.49Å; Y274-Y278 PolarHBondContact O-N 3.35Å; D276-Y278 VanDerWaalsContact C-N 3.27Å; D276-Y278 PolarHBondContact O-N 3.25Å; Y278-I282 HydrophobicContact CD1-CD1 3.96Å; Y278-I282 HydrophobicContact CE1-CD1 3.51Å; Y278-I282 WeakPolarHBondContact O-CG1 3.44Å; Y278-I282 PolarHBondContact O-N 3.01Å; Y278-I282 VanDerWaalsContact O-N 3.15Å
279R96Very high89.6Confident135 Ų135103.7 Ų103.751%0.50951%0.505SS..Hα-helixtrans-66.2-39.1171.9-72.6-169.5-42-8111111.7R275 D276 I282 A283R275-R279 WeakPolarHBondContact O-CG 3.38Å; R275-R279 PolarHBondContact O-N 2.98Å; R275-R279 PolarHBondContact O-NH1 2.87Å; D276-R279 PolarHBondContact O-N 3.24Å; D276-R279 VanDerWaalsContact O-N 3.13Å; D276-R279 IonicContact OD1-CZ 3.64Å; D276-R279 IonicContact OD1-NH1 2.92Å; D276-R279 PolarHBondContact OD1-NH1 3.33Å; D276-R279 IonicContact OD1-NH2 2.93Å; D276-R279 PolarHBondContact OD1-NH2 3.36Å; D276-R279 IonicContact OD2-CZ 2.67Å; D276-R279 IonicContact OD2-NH2 3.72Å; D276-R279 PolarHBondContact OD2-NH2 3.15Å; R279-I282 PolarHBondContact O-N 2.8Å; R279-A283 PolarHBondContact O-N 2.93Å
280E94.4Very high88Confident115 Ų11598.8 Ų98.854%0.53750%0.5SS..Hα-helixtrans-64.9-46.1176.2-163.4-171.415500111.4D276 A277 I282 A283 Q284D276-E280 PolarHBondContact O-N 3.32Å; A277-E280 PolarHBondContact O-N 3.47Å; E280-I282 VanDerWaalsContact C-N 3.32Å; E280-I282 PolarHBondContact O-N 3.37Å; E280-A283 CarbonylContact O-C 3.59Å; E280-A283 WeakPolarHBondContact O-CA 3.46Å; E280-A283 WeakPolarHBondContact O-CB 3.45Å; E280-A283 PolarHBondContact O-N 3.33Å; E280-Q284 HydrophobicContact CG-CG 4.39Å; E280-Q284 WeakPolarHBondContact O-CG 3.41Å; E280-Q284 PolarHBondContact O-N 2.9Å; E280-Q284 PolarHBondContact OE1-NE2 3.16Å
281Y95.1Very high85.5Confident132 Ų13299 Ų9952%0.51851%0.514SS..Hα-helixtrans-55.2-45.7175.5173.5-104.4000112A277 A283 Q284 M285A277-Y281 WeakPolarHBondContact O-CB 3.44Å; A277-Y281 PolarHBondContact O-N 3.46Å; Y281-A283 VanDerWaalsContact C-N 3.33Å; Y281-A283 PolarHBondContact O-N 2.86Å; Y281-Q284 PolarHBondContact O-N 3.44Å; Y281-M285 HydrophobicContact CD1-CG 4.46Å; Y281-M285 HydrophobicContact CD2-CG 4.05Å; Y281-M285 HydrophobicContact CE1-CG 4.05Å; Y281-M285 HydrophobicContact CE2-CG 3.58Å; Y281-M285 HydrophobicContact CE2-SD 3.93Å; Y281-M285 HydrophobicContact CG-CG 4.47Å; Y281-M285 WeakPolarHBondContact O-CB 3.34Å; Y281-M285 WeakPolarHBondContact O-CG 3.15Å; Y281-M285 PolarHBondContact O-N 2.8Å
282I94.5Very high83.3Confident87 Ų87105.3 Ų105.345%0.44655%0.554SS.*Hα-helixtrans-60.7-42.5174.5-69.5169.4000111.1Y278 R279 E280 S286Y278-I282 HydrophobicContact CD1-CD1 3.96Å; Y278-I282 HydrophobicContact CE1-CD1 3.51Å; Y278-I282 WeakPolarHBondContact O-CG1 3.44Å; Y278-I282 PolarHBondContact O-N 3.01Å; Y278-I282 VanDerWaalsContact O-N 3.15Å; R279-I282 PolarHBondContact O-N 2.8Å; E280-I282 VanDerWaalsContact C-N 3.32Å; E280-I282 PolarHBondContact O-N 3.37Å; I282-S286 WeakPolarHBondContact O-CB 3.43Å; I282-S286 PolarHBondContact O-N 2.91Å
283A93.4Very high81.1Confident51 Ų51106.8 Ų106.842%0.42157%0.573SS.*Hα-helixtrans-68.5-32178.100000113.5R279 E280 Y281 Q287R279-A283 PolarHBondContact O-N 2.93Å; E280-A283 CarbonylContact O-C 3.59Å; E280-A283 WeakPolarHBondContact O-CA 3.46Å; E280-A283 WeakPolarHBondContact O-CB 3.45Å; E280-A283 PolarHBondContact O-N 3.33Å; Y281-A283 VanDerWaalsContact C-N 3.33Å; Y281-A283 PolarHBondContact O-N 2.86Å; A283-Q287 PolarHBondContact O-NE2 3.29Å
284Q92.3Very high78.3Confident105 Ų105106 Ų10649%0.49158%0.58SS.*Hα-helixtrans-70.6-49.3173.1-69.3-179.513.100110.9E280 Y281 S286 Q287 L288E280-Q284 HydrophobicContact CG-CG 4.39Å; E280-Q284 WeakPolarHBondContact O-CG 3.41Å; E280-Q284 PolarHBondContact O-N 2.9Å; E280-Q284 PolarHBondContact OE1-NE2 3.16Å; Y281-Q284 PolarHBondContact O-N 3.44Å; Q284-S286 VanDerWaalsContact C-N 3.35Å; Q284-S286 PolarHBondContact O-N 2.7Å; Q284-Q287 PolarHBondContact O-N 3.45Å; Q284-Q287 VanDerWaalsContact O-N 3.16Å; Q284-L288 PolarHBondContact O-N 3.2Å
285M83.1Confident75.8Confident86 Ų86106.6 Ų106.642%0.42460%0.602SS.*Hα-helixtrans-64.4-37.5179.5-66.5-58.2-65.600112.6Y281 Q287 L288 E289Y281-M285 HydrophobicContact CD1-CG 4.46Å; Y281-M285 HydrophobicContact CD2-CG 4.05Å; Y281-M285 HydrophobicContact CE1-CG 4.05Å; Y281-M285 HydrophobicContact CE2-CG 3.58Å; Y281-M285 HydrophobicContact CE2-SD 3.93Å; Y281-M285 HydrophobicContact CG-CG 4.47Å; Y281-M285 WeakPolarHBondContact O-CB 3.34Å; Y281-M285 WeakPolarHBondContact O-CG 3.15Å; Y281-M285 PolarHBondContact O-N 2.8Å; M285-Q287 PolarHBondContact O-N 2.96Å; M285-L288 PolarHBondContact O-N 2.7Å; M285-E289 PolarHBondContact O-N 2.89Å
286S84.1Confident73.3Confident82 Ų82105.7 Ų105.757%0.57361%0.611SS**Hα-helixtrans-58.5-30174.5179.40000113.4I282 Q284I282-S286 WeakPolarHBondContact O-CB 3.43Å; I282-S286 PolarHBondContact O-N 2.91Å; Q284-S286 VanDerWaalsContact C-N 3.35Å; Q284-S286 PolarHBondContact O-N 2.7Å
287Q74.1Confident70.7Confident152 Ų152109.6 Ų109.671%0.7163%0.63SS**Hα-helixtrans-80-20.9174.9-71.617091.500113.2A283 Q284 M285A283-Q287 PolarHBondContact O-NE2 3.29Å; Q284-Q287 PolarHBondContact O-N 3.45Å; Q284-Q287 VanDerWaalsContact O-N 3.16Å; M285-Q287 PolarHBondContact O-N 2.96Å
288L68.9Low67.9Low133 Ų133112.8 Ų112.870%0.69665%0.649SS**Hα-helixtrans-84.3-31-179.2-170.561.4000112.6Q284 M285 G290Q284-L288 PolarHBondContact O-N 3.2Å; M285-L288 PolarHBondContact O-N 2.7Å; L288-G290 VanDerWaalsContact C-N 3.33Å
289E61.6Low64.9Low183 Ų183110.3 Ų110.386%0.85566%0.663SS**Hα-helixtrans-75-24.3172.4-163.3167-164.600112M285 G291M285-E289 PolarHBondContact O-N 2.89Å; E289-G291 VanDerWaalsContact C-N 3.26Å; E289-G291 PolarHBondContact O-N 3.13Å
290G59.4Low62.2Low57 Ų57115.6 Ų115.659%0.58868%0.683SS**SBendtrans-75.364.1170.900000113.9L288L288-G290 VanDerWaalsContact C-N 3.33Å
291G43.1Very low59.5Low61 Ų61116 Ų11663%0.62970%0.698SS**  trans-50.7145.6-172.200000116.3E289 G293E289-G291 VanDerWaalsContact C-N 3.26Å; E289-G291 PolarHBondContact O-N 3.13Å; G291-G293 PolarHBondContact O-N 2.92Å
292T47.1Very low56.7Low154 Ų154114.4 Ų114.495%0.94571%0.707SS**SBendtrans-53.6107-174.351.80000113.4
293G46.8Very low54.3Low75 Ų75115.8 Ų115.877%0.77372%0.722SS**  trans-152.65.4-167.400000119.3G291G291-G293 PolarHBondContact O-N 2.92Å
294S36.6Very low51.1Low99 Ų99121.3 Ų121.369%0.69274%0.738SS**  trans-159.1126.9167.1-171.90000113.7
295S40.4Very low48.1Very low129 Ų129121.3 Ų121.390%0.90275%0.75SS**  trans-135.753.7169.4-73.80000111
296T40.7Very low45.6Very low115 Ų115121.9 Ų121.971%0.70676%0.758SS**  trans-137.8127.1169.551.20000112.9
297I42.8Very low43.1Very low164 Ų164129 Ų12984%0.84177%0.774SS**  trans74.298.1153.9-131.7162.8000119.6
298S36.8Very low41.1Very low123 Ų123131.7 Ų131.786%0.8678%0.779SS**  22.9126128.6-160.40000120.3
299G31.1Very low39.4Very low79 Ų79133.2 Ų133.281%0.81479%0.786SS**  trans-174.285.7167.600000115.1
300R39.6Very low38Very low246 Ų246127.5 Ų127.593%0.92878%0.777SS**  trans-109.581.9-178.8-171.9-169.5-176.9-99.85.3113.5
301S38Very low36.6Very low122 Ų122133.7 Ų133.785%0.85379%0.79SS**  trans-168.2150.6157.341.30000114.6
302S36.7Very low36.2Very low99 Ų99136.3 Ų136.369%0.69280%0.799SS**  trans-94.4175.8171.1-170.70000110.6
303P43.9Very low35.4Very low117 Ų117133.9 Ų133.976%0.7679%0.788SS**  -162116.494.338-15.1000119.4
304H26.2Very low34.8Very low167 Ų167136 Ų13677%0.77379%0.792SS**  trans-167152.4139.5-116.864.5000109.6
305S28.5Very low34.5Very low104 Ų104134.8 Ų134.873%0.72780%0.795SS**  cis-128.7-176.711.6-168.70000112.7
306T32.4Very low33.9Very low98 Ų98132.3 Ų132.360%0.60179%0.79SS**  trans-107.1133.7-153.4-62.50000116
307Y31Very low33.5Very low232 Ų232132.8 Ų132.891%0.9180%0.798SS**  trans-129.1124.6150.9-47-68.2000111
308Y31.7Very low33.1Very low209 Ų209131.3 Ų131.382%0.8279%0.79SS**  trans-23.5141.1178.4-79.2-99.6000121.9
309I33.6Very low32.8Very low164 Ų164133 Ų13384%0.84178%0.784SS**  trans70.6128.8149-61.5159.6000116.8
310G31.1Very low32.8Very low64 Ų64134.1 Ų134.166%0.6678%0.779SS**  cis164.5165.7-8.300000114.5
311Q31.1Very low32.1Very low186 Ų186130.3 Ų130.387%0.86978%0.777SS**  trans62.5117.2165.2-63.1-171.8-5.200120.2
312S34.8Very low31.7Very low117 Ų117131.4 Ų131.482%0.81877%0.773SS**  trans75.8162.5140.3-58.90000120.3
313S28.9Very low31.5Very low102 Ų102134.4 Ų134.471%0.71378%0.776SS**  cis-172.3153.1-40.9-164.80000108.8
314S34.7Very low30.9Very low121 Ų121136.1 Ų136.185%0.84677%0.774SS**  trans62.6155.5173.574.60000116.8
315G30Very low31.1Very low73 Ų73136.6 Ų136.675%0.75378%0.776SS**  cis152.2124.6-15.600000114.7
316G29.1Very low31.4Very low77 Ų77142.9 Ų142.979%0.79478%0.784SS**  trans80.7126.2157.300000117.6
317S32Very low31.3Very low125 Ų125141.4 Ų141.487%0.87479%0.788SS**  -149.4158.7109.6-1630000109.2
318I33.9Very low31.6Very low132 Ų132139.6 Ų139.668%0.67779%0.785SS**  trans-144.3177.3-167.4-27.9175.1000109.8
319H30.5Very low31.4Very low160 Ų160136.3 Ų136.374%0.74178%0.777SS**  trans88.1115.7172.9-49.5-67000115.7
320S30.3Very low31.1Very low102 Ų102134.4 Ų134.471%0.71377%0.769SS**  cis98.2127.820.481.60000115.4
321N25.8Very low31Very low166 Ų166138 Ų13889%0.88877%0.768SS**  trans-133165.7155.4-157.2-82.9000109.3
322L30.5Very low31Very low145 Ų145136 Ų13676%0.75976%0.762SS**  trans-156.9133.4-150.916168.8000111.2
323E31.1Very low30.7Very low162 Ų162137 Ų13776%0.75775%0.752SS**  trans-164.5153.7150.6-80.6-129.3109.300108.3
324Q31.4Very low30.7Very low152 Ų152140.7 Ų140.771%0.7176%0.758SS**  cis-168.7115.7-19.7177-164.6110.500109.1
325E31.1Very low30.3Very low178 Ų178144 Ų14483%0.83276%0.76SS**  trans-175.6169.5153.4-109.5-77.839.600110.5
326R33.5Very low30.2Very low236 Ų236147.7 Ų147.789%0.89176%0.758SS**  trans-123.9153.6-159.1-56.1-179.3179.1-167.70.7115.7
327G32.1Very low30.3Very low66 Ų66146.7 Ų146.768%0.6875%0.747SS**  trans152.570.2133.900000122.4
328K36.9Very low30.7Very low195 Ų195150.6 Ų150.685%0.84874%0.743SS**  trans66.9151.3138.2-72-173.3173.9-158.40119.5
329E27Very low30.6Very low139 Ų139153.1 Ų153.165%0.6575%0.749SS**  cis-167.5160-0.1152.9178.6145.700112.5
330N27.9Very low30.4Very low125 Ų125149 Ų14967%0.66874%0.738SS**  trans68133.9173.2-61.5-27.2000118.6
331E29.6Very low30.1Very low139 Ų139153.5 Ų153.565%0.6575%0.745SS**  cis98.7126.426.6-168.1179.9160.800113.5K333E331-K333 IonicContact OE1-NZ 2.7Å; E331-K333 PolarHBondContact OE1-NZ 3.43Å
332L30.6Very low30.3Very low143 Ų143152.1 Ų152.175%0.74974%0.737SS**  cis-166.8-172.9-20.7-112.2179.6000109.6
333K29.1Very low30.2Very low138 Ų138152.5 Ų152.560%0.674%0.737SS**  trans98.5107.9142.5-79.1131.8-177.2165.10119.7E331E331-K333 IonicContact OE1-NZ 2.7Å; E331-K333 PolarHBondContact OE1-NZ 3.43Å
334Q28.6Very low30.3Very low180 Ų180151.2 Ų151.284%0.84173%0.729SS**  66.9119.7119.2-70.3175-22.900121.5
335E25.3Very low30.5Very low191 Ų191154.4 Ų154.489%0.89373%0.734SS**  trans-44.7133.9145166-177.1-155.100114.5
336E28.6Very low30.5Very low151 Ų151149.2 Ų149.271%0.70673%0.728SS**  -164.9139.6104-156.9-157.2133.300110.9R338E336-R338 IonicContact OE1-CZ 3.95Å; E336-R338 IonicContact OE1-NE 2.96Å; E336-R338 IonicContact OE1-NH2 3.17Å; E336-R338 PolarHBondContact OE1-NH2 2.95Å
337G31.5Very low30.6Very low55 Ų55145.6 Ų145.657%0.56773%0.726SS**  trans115.392.8133.900000121.5
338R38.5Very low30.7Very low208 Ų208148.9 Ų148.979%0.78573%0.733SS**  trans71.8127.4131.6-53.7164.4-155.6-165.27121.1E336E336-R338 IonicContact OE1-CZ 3.95Å; E336-R338 IonicContact OE1-NE 2.96Å; E336-R338 IonicContact OE1-NH2 3.17Å; E336-R338 PolarHBondContact OE1-NH2 2.95Å
339K33.7Very low30.8Very low185 Ų185146.4 Ų146.480%0.80473%0.729SS**  trans77114.9133.176.7170.6-179.1174.10123.4
340S25Very low31Very low73 Ų73146.4 Ų146.451%0.5173%0.733SS.*  74.8137.4117.770.90000123.9
341F24.3Very low31.1Very low196 Ų196150.6 Ų150.686%0.8674%0.741SS**  trans73.8158.3158.5-48.3-52.6000116.7
342L30.2Very low31.2Very low138 Ų138148.6 Ų148.672%0.72374%0.742SS**  cis-177.8146.1-25.3172.9116.1000108.3
343M29.1Very low31Very low152 Ų152146.8 Ų146.875%0.74974%0.741SS**  trans68.6165.6166.3-83-160.5-169.800118.1
344K33.3Very low31.1Very low136 Ų136145.8 Ų145.859%0.59175%0.752SS**  cis177.1138.1-27.2170.6170.8-179.1172.80111.7
345R34.3Very low31.1Very low219 Ų219140.8 Ų140.883%0.82675%0.749SS**  trans64.3149.2177-66.2162.6-175.1159.1-5.8114.7
346G32Very low31.4Very low68 Ų68138.6 Ų138.670%0.70175%0.748SS**  cis104.9112.1-11.600000116
347D34.6Very low31.5Very low160 Ų160135.8 Ų135.886%0.85675%0.745SS**  trans-166.3158.8159.5-136-23.3000113.9
348V35.6Very low31.5Very low135 Ų135138.4 Ų138.482%0.81875%0.75SS**  trans65156.8161-179.80000120.1
349L38.9Very low31.2Very low144 Ų144135.4 Ų135.475%0.75475%0.75SS**  trans-132.5133.9-164.2174.980.1000110.3
350D30.7Very low31.5Very low139 Ų139133.3 Ų133.374%0.74374%0.743SS**  175.4139.5120.9-106.9-40.1000116.7
351Y30Very low31.9Very low212 Ų212134.4 Ų134.483%0.83176%0.757SS**  trans57.9137.1152.8-135-103.7000125
352S31.3Very low32.6Very low98 Ų98129.7 Ų129.769%0.68575%0.748SS**  trans90.2119.9151.3-119.30000123.2
353S27.3Very low33.2Very low104 Ų104128.9 Ų128.973%0.72775%0.751SS**  trans71.5118.2148.9-160.10000122.1
354S30.4Very low33.4Very low118 Ų118128.9 Ų128.983%0.82575%0.753SS**  trans55.2123.8147.461.10000120.5
355G29.3Very low33.8Very low75 Ų75128.8 Ų128.877%0.77376%0.759SS**  trans156106.516000000117.2
356V30.4Very low34.4Very low145 Ų145124.3 Ų124.388%0.87976%0.758SS**  trans-9.5149.5154.872.10000121.6
357S30.5Very low34.6Very low91 Ų91128.4 Ų128.464%0.63676%0.763SS**  trans101.3109.4145-140.40000122.4
358T31.8Very low34.9Very low110 Ų110127 Ų12768%0.67576%0.76SS**  trans59.4124.813156.40000124.1
359N33.1Very low35.6Very low145 Ų145129.8 Ų129.878%0.77576%0.764SS**  trans70.8149.7137.6-66.828.8000119.2
360E40.3Very low36.2Very low141 Ų141131.6 Ų131.666%0.65977%0.769SS**  cis-158145.1-5.7-118.5-87.8-151.800109.6S362E360-S362 PolarHBondContact OE2-N 2.96Å
361A32.1Very low37.1Very low97 Ų97130.7 Ų130.780%0.80276%0.764SS**  trans-173.985.2167.500000110.6
362S38.5Very low38.2Very low96 Ų96129.7 Ų129.767%0.67177%0.767SS**  trans-60.8154.9172.3-75.20000113.3E360E360-S362 PolarHBondContact OE2-N 2.96Å
363P42.7Very low38.4Very low121 Ų121132 Ų13279%0.78676%0.764SS**  trans-77.8155.9-163.131.4-37.3000114.4
364L33.7Very low38.7Very low152 Ų152131.9 Ų131.980%0.79676%0.763SS**  trans-117.5127.5154.9-75.6175.6000109.5
365D43.2Very low39Very low135 Ų135132.4 Ų132.472%0.72276%0.757SS**  trans38.892.6146.4-51.3-25.1000117.4I367D365-I367 VanDerWaalsContact C-N 3.27Å; D365-I367 PolarHBondContact O-N 2.79Å
366P45.9Very low39.2Very low125 Ų125137.8 Ų137.881%0.81276%0.762SS**  trans-68.886166.130-34.2000111.1
367I37.3Very low39.2Very low154 Ų154136.8 Ų136.879%0.7976%0.762SS**  trans40.2109147.752.4168.7000118.4D365D365-I367 VanDerWaalsContact C-N 3.27Å; D365-I367 PolarHBondContact O-N 2.79Å
368T39.5Very low39.2Very low130 Ų130135.9 Ų135.980%0.79877%0.766SS**  trans-58136.514745.40000110.1
369E51.3Low39.1Very low194 Ų194135.1 Ų135.191%0.90777%0.766SS**  trans-75.7124.9171.764.2-166.3131.700111.1
370E50.2Low39.2Very low182 Ų182137 Ų13785%0.8577%0.767SS**  trans-117.4106.1162.9-73.3-163.2108.800109.3
371D50.4Low38.9Very low120 Ų120138.3 Ų138.364%0.64278%0.778SS**  46.4123.5125.7-151.375.3000120.8K373D371-K373 IonicContact OD1-NZ 3.33Å; D371-K373 PolarHBondContact OD1-NZ 2.9Å; D371-K373 PolarHBondContact OD2-N 2.82Å; D371-K373 IonicContact OD2-NZ 3.02Å; D371-K373 PolarHBondContact OD2-NZ 3.04Å
372E52.6Low38.9Very low191 Ų191141.2 Ų141.289%0.89378%0.779SS**  trans-108.9104.4162.6-170.5-172.8128.200110.4
373K36.9Very low39.1Very low145 Ų145142.9 Ų142.963%0.6379%0.787SS**  trans-173.7106.7143.652.1-147.1156.6-63.80114.1D371D371-K373 IonicContact OD1-NZ 3.33Å; D371-K373 PolarHBondContact OD1-NZ 2.9Å; D371-K373 PolarHBondContact OD2-N 2.82Å; D371-K373 IonicContact OD2-NZ 3.02Å; D371-K373 PolarHBondContact OD2-NZ 3.04Å
374S33.7Very low38.4Very low102 Ų102140.9 Ų140.971%0.71379%0.789SS**  trans43.8122.2140.3-89.40000122.5
375D35.3Very low38.2Very low130 Ų130143.1 Ų143.170%0.69579%0.792SS**  62.995.5127-64.8-71.3000119.7
376Q33.8Very low37.6Very low187 Ų187145.5 Ų145.587%0.87480%0.796SS**  -175.6168.391.7-103.7161.66300116.1
377S30.1Very low36.6Very low125 Ų125144.8 Ų144.887%0.87479%0.794SS**  trans-45.3150.4172.2-510000114.8
378G31.2Very low36.2Very low71 Ų71142.4 Ų142.473%0.73279%0.791SS**  cis139.1174.90.200000113
379S29.5Very low35.5Very low95 Ų95144.8 Ų144.866%0.66479%0.793SS**  trans75.297.2167.5-172.40000120.5
380K35.6Very low34.7Very low184 Ų184147 Ų14780%0.879%0.793SS**  56.1121.1128.4-48.4163.3-158.3161.50119.5
381L33.4Very low34.3Very low168 Ų168143.8 Ų143.888%0.8879%0.788SS**  176.9153.190.4-90.3-177.6000112.6
382L32.1Very low33.3Very low159 Ų159142.8 Ų142.883%0.83279%0.79SS**  trans-94.1179163.8-56.2173.9000109.2
383P43.2Very low32.6Very low130 Ų130140.5 Ų140.584%0.84478%0.784SS**  cis-125.1-170.5-29.727.6-6.5000110.7
384G27Very low32.7Very low79 Ų79141.5 Ų141.581%0.81479%0.788SS**  trans170.8113.7160.100000117.2
385K30.1Very low32.8Very low199 Ų199143.8 Ų143.887%0.86579%0.788SS**  trans-86.1145.7167.3-67.1169.8173.2171.60110.6
386K31.3Very low32.6Very low186 Ų186144.1 Ų144.181%0.80980%0.795SS**  trans60147.4146.267.8167.7-177.3172.90120.5
387S24.9Very low32.6Very low109 Ų109141.1 Ų141.176%0.76278%0.784SS**  trans62.7152.615838.10000117.5
388S27.1Very low32.8Very low104 Ų104141.5 Ų141.573%0.72778%0.776SS**  cis-166.7-178-18.7-173.50000108.2
389E25.7Very low32.9Very low180 Ų180146.3 Ų146.384%0.84178%0.777SS**  trans72.395.9158.9-51.6-162.5119.700119.6
390R34.7Very low33.3Very low240 Ų240148.9 Ų148.991%0.90678%0.782SS**  -9.6164.5116.9-97.9-175.4172.8171.5-2.3117.1
391P42.3Very low33.2Very low115 Ų115149.8 Ų149.875%0.74779%0.786SS**  cis-146.2-167.226.438.4-16000117.4
392S28.5Very low33.1Very low99 Ų99145.3 Ų145.369%0.69278%0.781SS**  trans87.3111.6148.9-137.80000117
393L38.8Very low33.1Very low144 Ų144143.6 Ų143.675%0.75478%0.782SS**  -139.9173.664.8-117.971.9000114.8
394F38Very low32.5Very low166 Ų166140.4 Ų140.473%0.72877%0.773SS**  trans-27.4161.2170.1-56.4-62.3000119.1
395Q35.9Very low32.9Very low150 Ų150143.4 Ų143.470%0.70177%0.77SS**  cis176.9129.9-12.7175.4172.554.200104.5
396T30.8Very low33.3Very low137 Ų137142.9 Ų142.984%0.8476%0.762SS**  -164.6173.575.747.70000110.8
397D33.8Very low33.2Very low123 Ų123143.9 Ų143.966%0.65876%0.762SS**  -152.4168.2-80-154.3-16.8000108.4
398L34.4Very low33.5Very low133 Ų133146.8 Ų146.870%0.69676%0.764SS**  trans67.2139.4169.6-87.167.7000117.7
399K34.5Very low33.8Very low172 Ų172149.6 Ų149.675%0.74876%0.763SS**  cis-160.5115.8-6.6-166.8146.7153.3-178.10113.7
400L37.7Very low34.7Very low150 Ų150147.9 Ų147.979%0.78576%0.759SS**  trans53.4119.9146.6-95.370.7000123.2
401K31.9Very low35.6Very low202 Ų202142 Ų14288%0.87875%0.751SS**  83107.4115.5-168.9-179.3-179.6-178.70119.9
402G32.8Very low35.1Very low75 Ų75140.8 Ų140.877%0.77375%0.746SS**  trans-154.6143.416200000112.2
403S30.9Very low35.6Very low122 Ų122142 Ų14285%0.85374%0.744SS**  trans-68.5153.9179.5179.30000112.5
404G31.6Very low35.6Very low63 Ų63143.1 Ų143.165%0.64975%0.746SS**  trans-78.9-164.5170.100000114.1
405L35.8Very low35.8Very low143 Ų143142.3 Ų142.375%0.74975%0.749SS**  trans97.396-176-58.7-176000116.4
406R37.1Very low36.2Very low188 Ų188142.9 Ų142.971%0.70975%0.752SS**  trans56.4129.813471.3-135.6-82.7175.7-9.3122.3
407Y30.2Very low36.4Very low206 Ų206141.6 Ų141.681%0.80875%0.749SS**  trans91.9150.7159.5-58.5-64.3000120.1
408Q31.5Very low36.5Very low170 Ų170139 Ų13979%0.79475%0.75SS**  trans72102.1162.4-61.9-78.731.300120.5
409K33.3Very low36.5Very low163 Ų163138.8 Ų138.871%0.70976%0.755SS**  67.7107.4103.6-167.584.8168.8177.30120.5
410L44.8Very low36.4Very low145 Ų145138.6 Ų138.676%0.75976%0.757SS**  trans69.4174.9148.8-62.9-177000116.4
411P52Low36.4Very low115 Ų115139.7 Ų139.775%0.74776%0.758SS**  cis-136.7-149.79.546.1-26.6000115.8
412S33.4Very low36.9Very low91 Ų91136 Ų13664%0.63676%0.758SS**  trans97.6129.9164.4-68.30000118.7
413D37.8Very low37.1Very low123 Ų123137.4 Ų137.466%0.65875%0.747SS**  cis-152.1151.7-3.5-94.1-25.9000113.7
414E39.2Very low37.3Very low168 Ų168139.6 Ų139.679%0.78575%0.749SS**  trans49.4145.1140.2-59.8170.8157.400122
415D42.2Very low37.5Very low149 Ų149141.1 Ų141.180%0.79775%0.747SS**  cis-164.5-163.1-35.9-128.461.4000106.1
416E44.9Very low37.8Very low162 Ų162140.6 Ų140.676%0.75775%0.752SS**  cis-150.7145.18.8-169.2-143.9-75.900109
417S34.5Very low37.7Very low111 Ų111138.1 Ų138.178%0.77675%0.752SS**  trans63.2143.6163.7-164.80000118.1
418G35.2Very low38.1Very low67 Ų67136.6 Ų136.669%0.69176%0.757SS**  cis-173.1167.6-100000111
419T35.8Very low38.4Very low129 Ų129136 Ų13679%0.79175%0.751SS**  trans-69.2155.2173.548.70000110.8
420E32.6Very low38.5Very low168 Ų168134.9 Ų134.979%0.78575%0.753SS**  -178.7-177.464.159.4-157.5126.300114.8
421E38Very low38.2Very low173 Ų173136.1 Ų136.181%0.80876%0.761SS**  trans47.3136.3166.680.1-178.217500123.7
422S41.6Very low37.6Very low125 Ų125139.3 Ų139.387%0.87476%0.763SS**  trans-12795.9165.262.50000109.5
423D35.9Very low37.7Very low104 Ų104141.2 Ų141.256%0.55677%0.766SS**  trans-132.7145.3169-159.7-45.8000108.9T425D423-T425 WeakPolarHBondContact OD1-CB 3.43Å; D423-T425 WeakPolarHBondContact OD1-CG2 3.38Å; D423-T425 PolarHBondContact OD1-N 2.87Å; D423-T425 PolarHBondContact OD1-OG1 3.17Å
424N35.3Very low37.7Very low168 Ų168143.4 Ų143.490%0.89877%0.77SS**  trans-136.253.8177.2-98.7-105000109.8
425T37.2Very low37.2Very low96 Ų96145 Ų14559%0.58977%0.774SS**  trans-94.5119.416939.30000110.9D423 L427D423-T425 WeakPolarHBondContact OD1-CB 3.43Å; D423-T425 WeakPolarHBondContact OD1-CG2 3.38Å; D423-T425 PolarHBondContact OD1-N 2.87Å; D423-T425 PolarHBondContact OD1-OG1 3.17Å; T425-L427 PolarHBondContact O-N 3.06Å
426P41Very low36.8Very low132 Ų132142.6 Ų142.686%0.85777%0.774SS**  trans-76.494.9-17929.8-33.8000111.2L428P426-L428 PolarHBondContact O-N 3.49Å
427L36.2Very low36Very low135 Ų135143.8 Ų143.871%0.70778%0.78SS**  trans-75.1115.9175.3-78.2170.6000112T425T425-L427 PolarHBondContact O-N 3.06Å
428L38.5Very low35.9Very low175 Ų175141.4 Ų141.492%0.91677%0.773SS**  trans-86.3117.2155.9-80.4171.8000109.7P426P426-L428 PolarHBondContact O-N 3.49Å
429K36.7Very low35.8Very low157 Ų157147.5 Ų147.568%0.68378%0.78SS**  trans-128.6154.8164.7-71.6-176179.3170.50106.8
430D35.3Very low35.5Very low139 Ų139145.7 Ų145.774%0.74378%0.778SS**  cis-160.9128.4-17.2-109.1-47.9000102.3
431D39.2Very low35.3Very low172 Ų172144.5 Ų144.592%0.9277%0.773SS**  trans-140.7136.1173.3-127.4-40.1000113.2
432K39.7Very low35.2Very low182 Ų182146.1 Ų146.179%0.79177%0.771SS**  trans-153.596.5-155.9173-163.2168.9-177.90109.2
433D34.2Very low34.6Very low131 Ų131146.8 Ų146.870%0.70177%0.77SS**  trans-152.4152.8141.8-122.3-21.3000119.4
434K37.7Very low34.4Very low169 Ų169145.6 Ų145.674%0.73577%0.774SS**  trans-52.8134.8-171.5-51.8151.2-158.191.40116.1
435K30.4Very low34Very low202 Ų202147.3 Ų147.388%0.87877%0.774SS**  175.3129109.8-93.1-174.8177.2-175.80109.2
436A32.8Very low33.3Very low97 Ų97148.1 Ų148.180%0.80278%0.783SS**  78.984.459.500000115
437E27.5Very low33.4Very low188 Ų188147.1 Ų147.188%0.87978%0.777SS**  -162.6167.8117.5-171.3159.7-169.300108.3
438G32.1Very low32.8Very low60 Ų60150.2 Ų150.262%0.61979%0.787SS**  trans-163.4148.6170.500000113.5
439K33.3Very low32.5Very low195 Ų195150.3 Ų150.385%0.84878%0.783SS**  trans-173.8142.9165.2-107.9157.6-173.6171.20112
440A31.1Very low32.2Very low91 Ų91147.9 Ų147.975%0.75279%0.786SS**  trans64.5164.7151.900000119.5
441E27.1Very low32Very low144 Ų144147.4 Ų147.467%0.67379%0.787SS**  cis177.3136.1-32.4-177155.5-154.800108.1
442R37.2Very low31.8Very low207 Ų207147 Ų14778%0.78178%0.78SS**  cis-151.8-155.1-10.1-129.4-170.5-65.6161-1.5106.8
443V28.7Very low32.3Very low139 Ų139143.2 Ų143.284%0.84277%0.774SS**  trans78.5127.2158.7-172.30000115.1
444A30.7Very low32.4Very low78 Ų78142.6 Ų142.665%0.64577%0.77SS**  cis-160.5152.9-9.500000114.8
445K26.8Very low32.4Very low205 Ų205144.5 Ų144.589%0.89177%0.772SS**  trans53.6115.6141.5-66.3178179.8-175.70122
446S23.9Very low32.7Very low113 Ų113140.7 Ų140.779%0.7977%0.766SS**  trans-84.8-166.9143.6-148.70000109.1
447P42.4Very low32.8Very low110 Ų110144.4 Ų144.471%0.71476%0.764SS**  cis-136.4-176.2-11.343.2-26.9000114.7
448E23.8Very low33.5Very low200 Ų200143.4 Ų143.494%0.93576%0.763SS**  trans-159154.2137.6-121.1166.3-169.300112.8
449H32Very low34Very low178 Ų178150.2 Ų150.282%0.82478%0.776SS**  trans-164129.7-166.4174.2-65.6000113.2
450S30.3Very low34.3Very low105 Ų105145.1 Ų145.173%0.73477%0.77SS**  trans-174.9163155.359.40000109.3
451V32.1Very low34.5Very low129 Ų129148.4 Ų148.478%0.78277%0.768SS**  cis-134.4147.714.8176.50000110.3
452E33.6Very low35Very low165 Ų165148.1 Ų148.177%0.77177%0.766SS**  trans-113.2153.3168.5-162-157.6-97.200109.3
453P50.5Low35.2Very low102 Ų102148 Ų14866%0.66277%0.767SS**  -154.6140.4118.433.9-13.8000119.1
454I36.3Very low35.7Very low118 Ų118150.1 Ų150.161%0.60577%0.773SS**  82.6108.3128.9-67.9173.5000121.7
455R37.4Very low36.1Very low208 Ų208150.5 Ų150.579%0.78577%0.771SS**  trans62.1148.1135.3-56.9177.6-167.4159.62.4119.1
456T36.3Very low36.6Very low123 Ų123148.6 Ų148.676%0.75577%0.77SS**  cis-159.2164.447.3-50.90000113.5
457F36.5Very low37.4Very low175 Ų175146.9 Ų146.977%0.76876%0.763SS**  trans-60161.9177-42.1-91.8000114.3
458I42.1Very low37.7Very low166 Ų166149 Ų14985%0.85177%0.767SS**  -16916671.1-105.9138.2000112.1
459K43Very low38.9Very low203 Ų203147.2 Ų147.288%0.88376%0.763SS**  trans-115.6117.9178.5172.2-173.1175.4179.30112.9
460A38.6Very low39.5Very low89 Ų89145.9 Ų145.974%0.73676%0.762SS**  trans-155.2139.6158.100000107.6
461K35.2Very low40.3Very low160 Ų160150 Ų15070%0.69677%0.767SS**  cis94.2102.426.2-164.9175.7-166-86.20114.2
462E38.5Very low41.4Very low137 Ų137152 Ų15264%0.6477%0.765SS**  trans74.2126.5153.7-69.7164.6-171.600121.3
463Y40Very low41.5Very low206 Ų206149.9 Ų149.981%0.80876%0.759SS**  trans28120.8139.4-66.9-94.6000120.5
464L39.3Very low41Very low183 Ų183149.7 Ų149.796%0.95876%0.76SS**  -137.6154.8114.7-93178.1000109.3
465S38.9Very low41.5Very low85 Ų85149.6 Ų149.659%0.59477%0.77SS**  trans-121.7173.2-176.4-60.10000111.4
466D37.8Very low41.6Very low166 Ų166147.2 Ų147.289%0.88877%0.773SS**  trans69.1152.4179.1-61-34000114.9
467A40Very low42Very low77 Ų77146.1 Ų146.164%0.63677%0.77SS**  cis-148.3160.715.400000113.8
468L49Very low42.4Very low153 Ų153141.6 Ų141.680%0.80177%0.773SS**  trans66.3124.3158.6-55166.4000116.3
469L49.4Very low42.8Very low163 Ų163140.4 Ų140.485%0.85377%0.773SS**  5893.359.7-66.6173.9000114.5
470D44.4Very low43.2Very low150 Ų150142 Ų14280%0.80277%0.774SS**  -150.6164119-162.418.3000111.8
471K47.8Very low43.8Very low192 Ų192142.9 Ų142.984%0.83577%0.774SS**  trans-113.4106.2168.4-75.4-176.6175.3-174.80109.8
472K53.9Low43.8Very low170 Ų170142.2 Ų142.274%0.73978%0.778SS**  trans-156.7151.4165.2-142.171.6-163.6-169.10115.1
473D37.4Very low43.6Very low122 Ų122142.7 Ų142.765%0.65278%0.781SS**  trans12.4147.1147.5-76-54.7000120.9
474S38.8Very low43.3Very low98 Ų98137.6 Ų137.669%0.68578%0.775SS**  cis-165-173.5-9.7-1290000110.6
475S46.3Very low43.4Very low116 Ų116134.2 Ų134.281%0.81177%0.767SS**  trans-50149.6167.3-45.50000114.2
476D39.8Very low43.9Very low158 Ų158135.1 Ų135.185%0.84577%0.771SS**  trans-133.1158.3143.9-164.314.7000110.5
477S45.9Very low43.8Very low99 Ų99134.4 Ų134.469%0.69277%0.767SS**  trans-106.8148-169.162.50000112.2
478G43.8Very low43.5Very low80 Ų80139.2 Ų139.283%0.82578%0.776SS**  trans-139.337.9-170.400000115.1R480G478-R480 PolarHBondContact O-N 2.82Å; G478-R480 VanDerWaalsContact O-N 3.17Å
479V51.4Low42.8Very low141 Ų141136.4 Ų136.486%0.85577%0.769SS**  trans-69.6109178.5-75.30000112.1
480R49.8Very low42.4Very low237 Ų237136.3 Ų136.389%0.89477%0.769SS**  trans-143.1119.3160.2-83.7-164.5155.387.22.4111G478G478-R480 PolarHBondContact O-N 2.82Å; G478-R480 VanDerWaalsContact O-N 3.17Å
481S52.5Low41.9Very low107 Ų107137.9 Ų137.975%0.74877%0.771SS**  trans-95.7-175.1163-57.80000109.9
482N34.1Very low41.4Very low146 Ų146133.2 Ų133.278%0.78176%0.755SS**  trans77144.3-172.1-48.430000111.1
483E35.4Very low40.9Very low147 Ų147133.1 Ų133.169%0.68776%0.757SS**  cis-154144.928.1-176.953-118.100111.6
484S33.6Very low40.8Very low100 Ų100131 Ų13170%0.69976%0.757SS**  trans43.7131.3159.6-73.20000124.4
485S42.1Very low40.7Very low111 Ų111130.7 Ų130.778%0.77676%0.76SS**  trans-95.2179.7135.9-54.70000108.4
486P49.2Very low40.1Very low104 Ų104132.4 Ų132.468%0.67576%0.76SS**  cis-140.1-1693.740.8-20.4000115.7
487N34.5Very low39.6Very low152 Ų152131.2 Ų131.281%0.81375%0.753SS**  trans71133.2155.2-65.3-26.6000121.6
488H34.3Very low39.3Very low177 Ų177131.3 Ų131.382%0.81975%0.754SS**  trans-151.2116.2136-157.9-101.1000114.2
489S35.2Very low38.7Very low94 Ų94135.5 Ų135.566%0.65775%0.752SS**  trans48.1134.4151.2-560000124.5
490L40.6Very low38.1Very low162 Ų162136.2 Ų136.285%0.84875%0.75SS**  trans-63.4167156.3-64.2162.6000112.4
491H32.7Very low37.4Very low183 Ų183130.8 Ų130.885%0.84774%0.735SS**  trans-147.3150.1160.9-168.853.8000113.5
492N37.3Very low36.8Very low93 Ų93134.2 Ų134.250%0.49774%0.737SS.*  trans-153150.5-164.9-60.977.4000106.5
493E44.4Very low36.9Very low169 Ų169130.8 Ų130.879%0.7973%0.728SS**  cis-169.8178.84.2-122.1168.974.700107.4
494A34.9Very low36.9Very low78 Ų78131 Ų13165%0.64573%0.734SS**  cis-159.9-167.11.400000108.6
495A37.5Very low37.1Very low91 Ų91133.9 Ų133.975%0.75274%0.741SS**  trans74.2165.5161.600000116.8
496D33.1Very low37.1Very low152 Ų152136 Ų13681%0.81374%0.742SS**  cis-150.31764-146.3-7000114.3
497D29.7Very low36.6Very low132 Ų132139 Ų13971%0.70675%0.747SS**  trans-7.6134.2174.6-112.5-23.6000124.6
498S38.3Very low36.9Very low102 Ų102139.8 Ų139.871%0.71375%0.75SS**  25.8156.3120.6-48.40000125.4
499Q31.6Very low37.1Very low167 Ų167140.2 Ų140.278%0.7875%0.753SS**  trans97.2119.3147.6-168.6174.8-24.100120.2
500L40.3Very low37.5Very low156 Ų156143.3 Ų143.382%0.81776%0.762SS**  trans160.286148.3-91.2168.3000107.4
501E34.3Very low37.4Very low123 Ų123143.5 Ų143.558%0.57576%0.758SS**  73.8122.271.3-152.8-158.9166.800115.8
502K40.4Very low37.4Very low180 Ų180137.7 Ų137.778%0.78375%0.748SS**  trans71.3149.2162.9-88163.2-174.9147.30118.2
503A35.2Very low37.3Very low73 Ų73140.8 Ų140.860%0.60376%0.759SS**  cis-155.2176.50.900000113.1
504N35.2Very low36.6Very low152 Ų152139 Ų13981%0.81377%0.765SS**  trans75.878.6165.6-47.3-47.2000116
505L39.3Very low36.5Very low160 Ų160139 Ų13984%0.83877%0.772SS**  38.4106.873-162.977.5000114.3
506I41.3Very low37Very low155 Ų155143.9 Ų143.980%0.79578%0.777SS**  -168.4132.5115-92154.7000108.4
507E38.4Very low37.2Very low169 Ų169148.7 Ų148.779%0.7978%0.784SS**  trans-120.4128.7174.9170.2179.1-123.300106.9
508L40.6Very low37.2Very low168 Ų168146.2 Ų146.288%0.8879%0.789SS**  trans-150124.3166.2-80.5-175.6000109.7
509E38.1Very low37.3Very low185 Ų185149.4 Ų149.486%0.86480%0.795SS**  trans-87.6151.7172.5-53.7171.7117.500110.7
510D44.3Very low38.3Very low159 Ų159146.7 Ų146.785%0.8579%0.791SS**  trans-158.6141.9149.4-170.826.9000110.8
511E37.8Very low37.8Very low166 Ų166146.5 Ų146.578%0.77679%0.786SS**  trans-126.793.2178.8-162.9-147.3114.300111.1
512G33.2Very low37.8Very low61 Ų61145.7 Ų145.763%0.62979%0.794SS**  trans-132.853.9-155.900000118.4
513H35.5Very low37.7Very low159 Ų159144.5 Ų144.574%0.73680%0.795SS**  trans40.8131.2146.1-72.774.4000122.9
514S30.3Very low37.4Very low131 Ų131147.4 Ų147.492%0.91681%0.811SS**  trans94.4160.8144.288.20000121.4
515G32.8Very low37.3Very low77 Ų77143.5 Ų143.579%0.79481%0.807SS**  trans116.7103.6162.900000117.4
516K47.8Very low37Very low194 Ų194143.6 Ų143.684%0.84381%0.808SS**  trans-119.5132.6167.9-73.5-172180-177.50112.6
517R37.4Very low36.8Very low254 Ų254145.9 Ų145.996%0.95882%0.815SS**  trans118.3145.8153.3-69.7170.4-75-166.6-2.7115.6
518G29.1Very low36.8Very low79 Ų79144.6 Ų144.681%0.81481%0.813SS**  trans137.483.4149.200000117.7
519M40.1Very low37.1Very low169 Ų169141.3 Ų141.383%0.83380%0.802SS**  trans-87.1152.6151.6-63.9172.668.600107.7
520P52.7Low37Very low110 Ų110136.8 Ų136.871%0.71479%0.787SS**  -152.2-175.970.438.8-16.2000118.2
521H31.1Very low36.9Very low153 Ų153137.9 Ų137.971%0.70879%0.791SS**  trans-22.3163.5166.7-35.3-61000119.3
522S33.6Very low36.8Very low105 Ų105133 Ų13373%0.73478%0.779SS**  cis-151.2141.227.6-79.20000111
523L37.3Very low37.3Very low155 Ų155139.6 Ų139.681%0.81279%0.785SS**  61.592.576.4-63.2179.6000117
524S30.7Very low37Very low135 Ų135141.1 Ų141.194%0.94479%0.794SS**  trans179.3134.5139.3-79.90000110.7
525G33.2Very low37.5Very low70 Ų70139.8 Ų139.872%0.72279%0.785SS**  cis180168.6-10.100000114.8
526L32.8Very low38Very low162 Ų162143.8 Ų143.885%0.84879%0.787SS**  trans52.881.3146.4-70.9161.8000119.6
527Q36.3Very low37.4Very low203 Ų203139.7 Ų139.795%0.94978%0.781SS**  -145.6106.5118.3-136.1118.212900111.5
528D38.8Very low37.6Very low141 Ų141132.6 Ų132.675%0.75477%0.771SS**  trans-147158.9173.1-156.344.8000103.2
529P46.8Very low38Very low99 Ų99137.5 Ų137.564%0.64377%0.772SS**  cis-149.8179.628.244.7-24.1000119.2
530V35.7Very low37.9Very low91 Ų91135.5 Ų135.555%0.55277%0.765SS**  trans72.4100.2143.1157.30000117.4A532V530-A532 HydrophobicContact CG1-CB 3.59Å
531I41.3Very low37.1Very low182 Ų182138.6 Ų138.693%0.93377%0.767SS**  trans-78115.6134.3-65.9176000107.4
532A37.3Very low37.5Very low63 Ų63140.2 Ų140.252%0.52177%0.772SS.*  trans-147.4176.1161.700000106V530V530-A532 HydrophobicContact CG1-CB 3.59Å
533R42.7Very low37.8Very low200 Ų200140.4 Ų140.476%0.75577%0.774SS**  cis-159.3129.618.434.9-164.172.5-177.4-0.3109
534M30.2Very low37.8Very low190 Ų190138.7 Ų138.794%0.93677%0.772SS**  trans-124.654.1153.2-82.7-169.966.700109.7
535S39.9Very low38.3Very low104 Ų104137 Ų13773%0.72776%0.76SS**PPolyproline II helixtrans-93.4121.3153.6-53.20000107
536I43.4Very low38.5Very low161 Ų161143.1 Ų143.183%0.82677%0.77SS**PPolyproline II helixtrans-95.5120.3163.7-61.2177.4000105.8
537C35.4Very low38.4Very low107 Ų107140.8 Ų140.872%0.72377%0.766SS**PPolyproline II helixtrans-69.1162.8175.1-47.80000110
538S41.5Very low38.1Very low105 Ų105136.2 Ų136.273%0.73476%0.757SS**  cis-143.5153.921.8-67.90000108.5
539E37.3Very low37.9Very low182 Ų182137.1 Ų137.185%0.8576%0.76SS**  62.4149.563.3-170.8162.747.400114.5
540D37.3Very low37.3Very low128 Ų128140.8 Ų140.868%0.68477%0.773SS**  trans75.1125.3-174-88.610.5000117.6
541K35.6Very low37.1Very low174 Ų174140.9 Ų140.976%0.75778%0.783SS**  cis-146.8156.8-9.9-79.4-152.6-179.9-164.70113.4
542K39.6Very low36.8Very low187 Ų187137.9 Ų137.981%0.81378%0.779SS**  trans76.687.5143.8-159.2169.9-171.8178.60118.7
543S40.1Very low36.5Very low109 Ų109140.1 Ų140.176%0.76279%0.79SS**  trans-53.2152.2135.3-37.40000110.2
544P38.8Very low36.7Very low119 Ų119137 Ų13777%0.77380%0.796SS**  -122.2140.8100.234.6-32.8000112.7
545S39.5Very low37Very low101 Ų101136.4 Ų136.471%0.70679%0.791SS**  trans-74.5140.116549.90000111.2
546E39Very low36.9Very low197 Ų197140.3 Ų140.392%0.92180%0.797SS**  trans-140.4168143.8-76.3-147.9111.100109.4
547C29.3Very low36.2Very low113 Ų113136.7 Ų136.776%0.76479%0.786SS**  trans-114.7135.2-154-63.60000115.2
548S30.9Very low36.2Very low108 Ų108143.7 Ų143.776%0.75580%0.798SS**  trans73.6152.7138.8-56.90000121.8
549L34.5Very low36Very low159 Ų159144.7 Ų144.783%0.83280%0.802SS**  trans89.6154158.7-51.5-171.9000119.3
550I33.2Very low35.7Very low176 Ų176141.6 Ų141.690%0.90380%0.8SS**  trans61.1130.8-179.172.6167.5000118
551A33Very low35.2Very low94 Ų94141.3 Ų141.378%0.77781%0.807SS**  trans-96.2157.9167.400000109.8
552S33.5Very low35Very low119 Ų119141.8 Ų141.883%0.83281%0.812SS**  trans-170.7124144.3-93.60000110.2
553S32.8Very low34.6Very low109 Ų109142.4 Ų142.476%0.76282%0.815SS**  trans-77.3139.6155.9-62.30000108.8E555S553-E555 PolarHBondContact O-N 2.58Å
554P46.3Very low34.2Very low134 Ų134140.9 Ų140.987%0.8781%0.809SS**  trans-86.1101.9165.932.2-29.3000110.2
555E37.1Very low33.8Very low178 Ų178144.5 Ų144.583%0.83281%0.808SS**  trans-105.6122.4157.9-74-172.193.800108.7S553S553-E555 PolarHBondContact O-N 2.58Å
556E37.8Very low33.4Very low186 Ų186146.5 Ų146.587%0.86981%0.811SS**  trans177.1145.4152.3-96.5-143.572.800108.9
557S27.9Very low33Very low85 Ų85144.9 Ų144.959%0.59481%0.808SS**  cis-160.2141.8-20.438.50000109.3
558W35.5Very low33Very low254 Ų254146.2 Ų146.296%0.96281%0.808SS**  trans-101.3123.1166.8-76.9101.9000108.6
559P36.1Very low33Very low127 Ų127152.4 Ų152.483%0.82582%0.815SS**  trans-75.1157.4-174.630-35.3000113.1
560S32.2Very low32.8Very low116 Ų116150.7 Ų150.781%0.81181%0.811SS**  trans-125143.2-170.256.20000114
561C27.3Very low33.3Very low123 Ų123148 Ų14883%0.83181%0.805SS**  trans-170.2134.1160-101.80000107.3
562Q30.6Very low33.2Very low183 Ų183148.8 Ų148.886%0.85581%0.805SS**  81.476.652.7-67.2-157.8-1.200116.8
563K30.6Very low33.4Very low200 Ų200148.8 Ų148.887%0.8780%0.8SS**  69.3117.2124.6-166.3171.6-176.7174.50121.6
564A32.2Very low33.5Very low78 Ų78150.1 Ų150.165%0.64580%0.803SS**  trans69.9156.9159.200000116.3
565Y30.6Very low33.2Very low194 Ų194149.5 Ų149.576%0.76180%0.797SS**  cis-152.8166.218.323.3-100.9000113.1
566N30.2Very low33.1Very low144 Ų144149.3 Ų149.377%0.7780%0.801SS**  trans-13.6140.4166.7-56.5-73.7000119.5
567L32.5Very low32.8Very low163 Ų163148.1 Ų148.185%0.85380%0.8SS**  -166.8146.5109.3-106.3163.6000114.9
568N29Very low33.3Very low141 Ų141150.3 Ų150.375%0.75481%0.805SS**  trans-64.7136.7179.2-53.9-88.5000113.8
569R31.1Very low33.2Very low238 Ų238145.3 Ų145.390%0.89880%0.798SS**  172.4128.3119.7-97.5173.5-176.2-90.21.8114.1
570T29.8Very low32.9Very low123 Ų123144.7 Ų144.776%0.75579%0.791SS**  trans-96.1-179.3139.557.10000108.4
571P43.6Very low32.9Very low119 Ų119143.6 Ų143.677%0.77379%0.79SS**  cis-119.9178.4-22.639.3-27000111.7
572S30.3Very low33.7Very low111 Ų111143.4 Ų143.478%0.77679%0.787SS**  179.8148.3115.8-168.30000111.6
573T38.9Very low33.7Very low118 Ų118140.5 Ų140.572%0.72478%0.782SS**  trans-77.3158.3164.151.70000111.3
574V33.1Very low33.7Very low137 Ų137137.5 Ų137.583%0.8378%0.775SS**  trans-136.4112.5147.9178.30000108
575T40.1Very low33.8Very low122 Ų122144.2 Ų144.275%0.74878%0.784SS**  trans-85.1145.8165.741.60000109.8N577T575-N577 PolarHBondContact O-N 2.83Å
576L35Very low33.9Very low174 Ų174138.6 Ų138.691%0.91178%0.777SS**  trans-87.8101.7169-71.5177.9000110.3
577N32.5Very low33.8Very low160 Ų160138.8 Ų138.886%0.85678%0.778SS**  trans-130.8141.3147.9-169.19.9000107.6T575T575-N577 PolarHBondContact O-N 2.83Å
578N37.8Very low34Very low131 Ų131139.5 Ų139.570%0.70178%0.777SS**  trans-136.2119-154.2-1756.5000112.4
579N33.3Very low34Very low150 Ų150139.2 Ų139.280%0.80278%0.776SS**  trans-162.4109.2152.6-114.3-55.7000114.2
580T30.7Very low33.9Very low113 Ų113135.4 Ų135.469%0.69377%0.766SS**  64.892.2129.3-50.90000121
581A31Very low34Very low94 Ų94135.2 Ų135.278%0.77776%0.76SS**  87.9151.3128.500000122
582P43.9Very low33.3Very low119 Ų119137.9 Ų137.977%0.77376%0.762SS**  trans-133.4-177.7-155.742.4-23.9000116.1
583T30.3Very low33.6Very low122 Ų122139.9 Ų139.975%0.74876%0.763SS**  trans-157.4114.2161.4-81.40000112.2
584N32Very low33.3Very low136 Ų136143.2 Ų143.273%0.72777%0.77SS**  trans46.3147.3145.1-66.8-78000121.3
585R33.8Very low33Very low220 Ų220140.5 Ų140.583%0.8377%0.77SS**  cis-164.7155.111.1-134.4174.3-176.4-179.8-0.8112.7
586A32.5Very low32.6Very low75 Ų75140.9 Ų140.962%0.6277%0.772SS**  trans32148.4134.500000121.9
587N28.2Very low32.3Very low148 Ų148143 Ų14379%0.79177%0.768SS**  cis-151.8174.87.7-95.6-22.4000107.6
588Q36.8Very low32.1Very low179 Ų179143.4 Ų143.484%0.83676%0.764SS**  cis-145.2146.636.4-37.5-165.611.500109.4
589N29.3Very low31.7Very low135 Ų135143.2 Ų143.272%0.72277%0.768SS**  62.2131.376.3-114.8-127.7000113.2
590F28.1Very low31.4Very low158 Ų158141.1 Ų141.169%0.69377%0.766SS**  cis-152.2-18012.9-169.7-108.7000112.4
591D32.7Very low31.5Very low118 Ų118144.3 Ų144.363%0.63177%0.773SS**  trans-63-179.3-172.6-61.3-99.4000115.8
592E29.1Very low31.4Very low175 Ų175145.9 Ų145.982%0.81877%0.772SS**  cis-157.4168.129.4-164167.7102.600116.2
593I36.7Very low30.7Very low153 Ų153147 Ų14779%0.78577%0.77SS**  trans-78.3-175-158.9-146.2165000118.5
594E31.5Very low30.7Very low188 Ų188149.2 Ų149.288%0.87978%0.776SS**  trans-75.8156.6176.2-58.5176.499.200115
595G28Very low30.6Very low80 Ų80153.9 Ų153.983%0.82578%0.784SS**  trans-158.398.717900000117.1
596V31Very low30.9Very low131 Ų131149.6 Ų149.679%0.79479%0.785SS**  trans-58.4140.7179.2-169.20000115.3
597R29.8Very low30.7Very low219 Ų219149.4 Ų149.483%0.82679%0.79SS**  161.7118.2126.4-88172.8-62.3171.25.4117.4
598E28.4Very low31.2Very low167 Ų167149 Ų14978%0.7880%0.795SS**  51.7142.8113-126.1-179.6162.800125
599T28.5Very low30.9Very low127 Ų127144.8 Ų144.878%0.77979%0.785SS**  trans78.5174161.173.10000120.1
600S28Very low31.5Very low107 Ų107144.1 Ų144.175%0.74879%0.789SS**  trans-150.5155.4-148.7-43.10000116.5
601Q32.6Very low31.7Very low180 Ų180143.6 Ų143.684%0.84179%0.793SS**  trans79.3150.5153.7-58-17012.900123
602V27.9Very low32.2Very low126 Ų126143.2 Ų143.276%0.76480%0.797SS**  trans81.7137.1155.9-143.40000121.2
603I29.9Very low32.3Very low143 Ų143141.3 Ų141.373%0.73380%0.797SS**  trans124.497.7145.2-60.4-177.3000117.8
604L29.3Very low31.9Very low168 Ų168138.2 Ų138.288%0.8880%0.795SS**  trans61.1149.4141.1-59.8176000124.7
605R31.8Very low32.4Very low234 Ų234135.4 Ų135.488%0.88379%0.79SS**  trans-99.1165.5167-77.6178.8166.1166.3-5.5111.1
606P39.6Very low32.6Very low131 Ų131140.4 Ų140.485%0.85179%0.792SS**  -127.7176.7103.82.419.6000115.2
607G27.2Very low33Very low70 Ų70140.9 Ų140.972%0.72279%0.79SS**  trans-92.9-164.5174.200000114
608P39.6Very low33.4Very low140 Ų140137.8 Ų137.891%0.90979%0.785SS**  -136.4-165.851.540.7-23.6000115.9
609S30.1Very low33.5Very low90 Ų90137 Ų13763%0.62979%0.786SS**  trans-114.8169.8-177-177.80000111.4N611S609-N611 PolarHBondContact OG-N 3.38Å
610P41.7Very low33.8Very low122 Ų122138 Ų13879%0.79279%0.786SS**  -141.4144.3103.637.4-24.8000115.9
611N32.6Very low34.3Very low146 Ų146143 Ų14378%0.78179%0.794SS**  trans-105.9176.9153.5-71-24.5000108.5S609S609-N611 PolarHBondContact OG-N 3.38Å
612P43.5Very low34.2Very low110 Ų110139.6 Ų139.671%0.71479%0.79SS**  -152.3159.495.639.4-22.8000117.2
613T30.8Very low34.4Very low135 Ų135142.4 Ų142.483%0.82880%0.797SS**  trans64.4146.715042.70000120.3
614A28.9Very low34.5Very low88 Ų88139.1 Ų139.173%0.72779%0.791SS**  cis-151160.8-800000111.3
615V41.1Very low34.8Very low130 Ų130139.6 Ų139.679%0.78879%0.789SS**  trans-112.5132.8169174.90000108.7
616Q33.5Very low35Very low185 Ų185137.8 Ų137.886%0.86479%0.787SS**  trans-138.9145.1162.8-73-167.7-20.300110.4
617N38.2Very low34.6Very low140 Ų140142.5 Ų142.575%0.74979%0.788SS**  trans-102.2-152.1170.1-90.1-71.7000108.9
618E39Very low34.7Very low155 Ų155144 Ų14472%0.72479%0.787SS**  trans7990174-49.1-52.1136.200116.6
619N29Very low34.5Very low149 Ų149145.3 Ų145.380%0.79778%0.781SS**  -174.6160.897.4-105.5-83.7000115.1
620L34.9Very low34.5Very low149 Ų149151.7 Ų151.778%0.7879%0.792SS**  trans-81.2148.8-176.9-52.999.1000113.4
621K39.2Very low34.1Very low213 Ų213150.7 Ų150.793%0.92679%0.787SS**  -159.8132.4117.2-110159-173.4171.90113.6
622S30.1Very low34.1Very low108 Ų108148.1 Ų148.176%0.75578%0.781SS**  trans-89.7159.7172.552.60000111.6
623M32.4Very low33.4Very low185 Ų185153.2 Ų153.291%0.91179%0.787SS**  trans-162.8147.7136.4-96.4-75.5-151.900108
624A32Very low33.6Very low73 Ų73152 Ų15260%0.60378%0.78SS**  trans-107.2174.3179.800000110.6
625H34.8Very low34Very low178 Ų178158.4 Ų158.482%0.82479%0.785SS**  -163.4171.374.8-92.4-80.2000114.7
626K36.1Very low34Very low196 Ų196159.6 Ų159.685%0.85279%0.787SS**  trans-71.5175.4-178.6-53.9-178175.2-178.10111.9
627R32.5Very low33.8Very low230 Ų230156.9 Ų156.987%0.86879%0.788SS**  174.713366.1167.1179.2-95.2150.8-8.8114.9
628S27.7Very low33.6Very low101 Ų101158.4 Ų158.471%0.70679%0.788SS**  trans63.2137.6146.1-143.90000118.6
629Q35.6Very low33.2Very low168 Ų168157 Ų15779%0.78579%0.785SS**  52.7129.656-71.9-1154.500112.1
630R31.3Very low33.5Very low225 Ų225154.2 Ų154.285%0.84978%0.783SS**  cis-166168.642.4-172.3-175.3177.8169.50.9110.1
631S32.7Very low33.4Very low100 Ų100151.7 Ų151.770%0.69978%0.778SS**  trans-74.1161.4168176.80000114.1
632S32.4Very low33.1Very low92 Ų92149.1 Ų149.164%0.64377%0.769SS**  trans120.2156.1132.676.70000120.3
633Y28.3Very low33.3Very low217 Ų217150.3 Ų150.385%0.85177%0.766SS**  trans95.6153161.2-99.7-88.5000122
634T36.6Very low33.3Very low110 Ų110149.8 Ų149.868%0.67576%0.761SS**  trans-122.3148.4-162.352.60000112.2
635R36.1Very low33.2Very low222 Ų222150.5 Ų150.584%0.83877%0.767SS**  166.5145.1125.1-93174.7-171.8-111.63113.4
636L42.5Very low33Very low156 Ų156146.5 Ų146.582%0.81777%0.765SS**  trans9.5132.1139.5-58.1166.6000119.4
637S28.8Very low32.7Very low128 Ų128142.4 Ų142.490%0.89576%0.761SS**  trans-145.8169.9136.8-162.70000110
638K33.3Very low32.8Very low171 Ų171136.5 Ų136.574%0.74376%0.755SS**  trans-143157.9-165.9-166-169174.8-1210112.6
639D31.6Very low33.1Very low126 Ų126139.2 Ų139.267%0.67476%0.761SS**  trans86.4152.3155.7-86.9-46.9000121.1
640A34Very low33.1Very low90 Ų90135.9 Ų135.974%0.74476%0.757SS**  trans64140177.500000116.6
641S33.2Very low33.3Very low97 Ų97131.7 Ų131.768%0.67876%0.756SS**  cis-170.2163.9-5.6-97.40000107.9
642E32.3Very low33.4Very low158 Ų158130.8 Ų130.874%0.73876%0.763SS**  cis178.5-166.6-10.9-173.7165.6158.100108.8
643L34.4Very low33.5Very low133 Ų133137.1 Ų137.170%0.69678%0.779SS**  trans81.2115.9165.6-49.4178.2000120.1
644H32.2Very low33.8Very low175 Ų175130 Ų13081%0.8177%0.772SS**  trans47147.7135.7-53.2-50.3000123.2
645A30.1Very low34Very low88 Ų88131.2 Ų131.273%0.72777%0.77SS**  cis-173.4162.1-15.800000111
646A30.5Very low34.4Very low94 Ų94128.2 Ų128.278%0.77777%0.765SS**  trans63.6139.4170.200000117.2
647S29.8Very low35Very low110 Ų110129.6 Ų129.677%0.76976%0.76SS**  cis76131.141.8-148.80000112.5
648S35.6Very low36.1Very low106 Ų106132.5 Ų132.574%0.74176%0.759SS**  cis-147.8-178.518.7-51.20000114
649D34.1Very low36.9Very low157 Ų157130.1 Ų130.184%0.8476%0.764SS**  trans-71.4164.6178.4-43.7-97.4000116.7
650S35.1Very low37.8Very low99 Ų99132.2 Ų132.269%0.69277%0.773SS**  trans169.7107.7139.3-179.60000109.3
651T36.8Very low38.3Very low136 Ų136139.2 Ų139.283%0.83480%0.797SS**  46.8125.785.2620000116.3
652G33.3Very low38.6Very low81 Ų81141.4 Ų141.484%0.83580%0.803SS**  trans174.9120.3170.800000114.2
653F34Very low38.9Very low226 Ų226140.5 Ų140.599%0.99181%0.806SS**  trans-82.2169.8168.7-89.2-116.8000111
654G34.9Very low39.2Very low67 Ų67140.9 Ų140.969%0.69181%0.813SS**  trans150.9135.5132.700000119.6
655E40.5Very low39.6Very low136 Ų136138.9 Ų138.964%0.63681%0.813SS**  trans71.8110.9146.4-64.6-166130.800122.2R657E655-R657 VanDerWaalsContact CD-NH1 3.28Å; E655-R657 IonicContact OE1-NH1 3.2Å; E655-R657 IonicContact OE2-CZ 2.79Å; E655-R657 IonicContact OE2-NH1 2.82Å; E655-R657 PolarHBondContact OE2-NH1 2.67Å; E655-R657 IonicContact OE2-NH2 2.73Å; E655-R657 PolarHBondContact OE2-NH2 2.93Å
656E46.3Very low40.2Very low158 Ų158142.1 Ų142.174%0.73882%0.818SS**  trans-39.3155.3143.555.1-99.372.100116.5
657R53.2Low40.8Very low186 Ų186145.3 Ų145.370%0.70282%0.821SS**  trans-145.484.2167.6-54.8-69.9171.5-133.4-3.4110.1E655E655-R657 VanDerWaalsContact CD-NH1 3.28Å; E655-R657 IonicContact OE1-NH1 3.2Å; E655-R657 IonicContact OE2-CZ 2.79Å; E655-R657 IonicContact OE2-NH1 2.82Å; E655-R657 PolarHBondContact OE2-NH1 2.67Å; E655-R657 IonicContact OE2-NH2 2.73Å; E655-R657 PolarHBondContact OE2-NH2 2.93Å
658E53.7Low41.6Very low189 Ų189147.8 Ų147.888%0.88382%0.824SS**  trans-79.5139.6162.8-63.7-166.5146.500109.7
659S50.1Low42.1Very low121 Ų121151 Ų15185%0.84683%0.831SS**  trans-155.6100.3171.2-790000112.4
660I49.8Very low42.8Very low169 Ų169150.5 Ų150.587%0.86783%0.83SS**  trans-27.6136.9162.8-60.6154.8000114.8
661L45.4Very low43.5Very low238 Ų238155.2 Ų155.2100%1.24684%0.843SS**  trans-150.90139.8-115.6171.5000110.6

Retrieved 661 of 661 residues in 311.3 ms (Link to these results)