A0A087YI08_POEFO Loading...

Glucocorticoid modulatory element binding protein 2

AlphaFold DB , UniProt , Accession A0A087YI08, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 495 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M32.3Very low36.5Very low249 Ų249148.5 Ų148.5100%1.22782%0.824SS**  0125.60-63169.8-178.800107.1
2A36Very low36.8Very low96 Ų96148.8 Ų148.879%0.79382%0.822SS**  cis-153.1137.2-1900000106.1
3E37.6Very low37.5Very low195 Ų195146.8 Ų146.891%0.91182%0.82SS**  trans-73.1131.4167.2-74.4-178.9121.200108.4
4M38.2Very low37.1Very low187 Ų187149.5 Ų149.592%0.92182%0.823SS**  trans-114.9109.1166.963.2-175.9-171.200108.6
5S35Very low36.9Very low106 Ų106148.8 Ų148.874%0.74183%0.825SS**  trans-84.2121.5173.6-48.60000108.8V7S5-V7 PolarHBondContact O-N 2.8Å
6E37.7Very low36.7Very low186 Ų186147.8 Ų147.887%0.86982%0.823SS**  trans-77115.3178-168.1174.9172.400110.3
7V38.4Very low36.4Very low115 Ų115145.5 Ų145.570%0.69782%0.819SS**  trans-96111.6179.7177.20000109.4S5 I9S5-V7 PolarHBondContact O-N 2.8Å; V7-I9 HydrophobicContact CG1-CG1 4.09Å; V7-I9 PolarHBondContact O-N 3Å
8V36.5Very low36Very low119 Ų119146.2 Ų146.272%0.72182%0.821SS**  trans-87.6106.3172.9-179.80000109.4V10V8-V10 HydrophobicContact CG1-CG2 4.46Å
9I36.9Very low35.8Very low136 Ų136148.4 Ų148.470%0.69782%0.824SS**  trans-84.1122.9175.2-57.9176.7000109V7V7-I9 HydrophobicContact CG1-CG1 4.09Å; V7-I9 PolarHBondContact O-N 3Å
10V32.8Very low35.6Very low122 Ų122149.2 Ų149.274%0.73983%0.826SS**  trans-106.297.5171.3-179.60000108.9V8V8-V10 HydrophobicContact CG1-CG2 4.46Å
11T39.9Very low35.6Very low122 Ų122147.6 Ų147.675%0.74882%0.822SS**PPolyproline II helixtrans-78.8127.5176-38.60000110.2
12L40.4Very low35.3Very low152 Ų152141.2 Ų141.280%0.79680%0.802SS**PPolyproline II helixtrans-86.1139.9169.7-67.5170000109.6
13P45.6Very low34.9Very low123 Ų123142.4 Ų142.480%0.79980%0.799SS**PPolyproline II helixtrans-76.3143.8-177.830.3-34.3000112.8
14E31.6Very low34.6Very low185 Ų185139.3 Ų139.386%0.86479%0.793SS**PPolyproline II helixtrans-69.9152.9179.4-165.6178.3140.600112.8V16E14-V16 PolarHBondContact O-N 3.38Å
15V34.5Very low34.2Very low139 Ų139139.3 Ų139.384%0.84279%0.791SS**  trans-88.2106.3-173.8-168.20000110.6
16V33.2Very low34.1Very low133 Ų133143.3 Ų143.381%0.80680%0.798SS**  trans-68.8137.8179.2173.90000112.1E14E14-V16 PolarHBondContact O-N 3.38Å
17S32.9Very low33.7Very low108 Ų108141.8 Ų141.876%0.75580%0.796SS**  trans-53.6133176.9-590000114.6
18N28.7Very low33.2Very low158 Ų158145.4 Ų145.485%0.84580%0.802SS**  trans-88.6109.3163.3-91.4-8.8000110.6
19Q32.2Very low33Very low189 Ų189143.8 Ų143.888%0.88380%0.802SS**  trans-122.6130.8151.8-77-173.3-2.100109
20L31.8Very low32.4Very low163 Ų163144 Ų14485%0.85381%0.809SS**  trans-91.8158.1174.1-120.569.8000109.8
21P35.6Very low32.1Very low117 Ų117146 Ų14676%0.7682%0.815SS**  trans-92.1157.8-155.536.2-37.5000115.2
22S26.2Very low31.6Very low114 Ų114147.1 Ų147.180%0.79782%0.821SS**  trans-138.882.1165.4-179.30000111.6
23V26.9Very low31Very low121 Ų121144.1 Ų144.173%0.73382%0.818SS**  37.6113126.6174.20000118.5
24V31Very low30.2Very low130 Ų130145.4 Ų145.479%0.78882%0.824SS**  trans59.6149.1164.6-91.50000120
25E30.3Very low29.9Very low187 Ų187144.5 Ų144.587%0.87482%0.82SS**  cis-130.21703.3-70.7-159.3111.200113
26E32.5Very low29.5Very low190 Ų190145.4 Ų145.489%0.88882%0.819SS**  trans-78.3138.6167.2-81.4174.683.200112.3
27D29.9Very low29.1Very low155 Ų155143.1 Ų143.183%0.82981%0.814SS**  trans-162.9103.6135.3-118.9-26.4000115
28K28.9Very low29.3Very low190 Ų190143.3 Ų143.383%0.82681%0.812SS**  38143.6127.5-158175.8179.5-174.50124
29A30.6Very low29.3Very low86 Ų86144.3 Ų144.371%0.71181%0.812SS**  trans89118.6165.400000115.9
30V25.6Very low29.1Very low141 Ų141139.8 Ų139.886%0.85581%0.807SS**  cis89.7102.539.4-1790000114.2
31L26.5Very low28.8Very low164 Ų164136 Ų13686%0.85981%0.807SS**  trans-6134.5159.5-55170.1000119.8
32V27.9Very low28.5Very low145 Ų145139.4 Ų139.488%0.87981%0.813SS**  trans-140.9137.8135.6178.60000108.7
33A27.8Very low28.5Very low89 Ų89141.7 Ų141.774%0.73682%0.816SS**  trans-105.3155.4173.900000111
34T29.1Very low28.5Very low150 Ų150142.8 Ų142.892%0.9282%0.816SS**  trans-150.4154.1148.9-0.50000111.9
35E26Very low28.2Very low166 Ų166144.2 Ų144.278%0.77682%0.819SS**  trans-116.6159.4-157.7-172.7-171.6143.500110
36L25.3Very low27.8Very low158 Ų158141.2 Ų141.283%0.82781%0.814SS**  160.9116.7128-84158.2000112.6
37A26.3Very low27.5Very low84 Ų84139 Ų13969%0.69481%0.812SS**  trans-82.1-171.8153.200000109
38P37.3Very low27.3Very low112 Ų112137.5 Ų137.573%0.72781%0.809SS**  -160.7165.967.545.5-24.2000119.2
39Q28.3Very low27.8Very low179 Ų179134 Ų13484%0.83681%0.806SS**  trans69.7129.9151.9-50.5-109.622.300118.4
40A27.9Very low27.7Very low95 Ų95136.2 Ų136.279%0.78581%0.81SS**  cis88.7130.633.800000114.7
41G26.1Very low27.8Very low82 Ų82135.9 Ų135.985%0.84580%0.804SS**  trans173.4114.8-179.300000110.7
42E28.8Very low28Very low189 Ų189132.6 Ų132.688%0.88380%0.8SS**  trans-107.2149.4-175.764.1-152.7109.700111.2
43D26.6Very low28.1Very low163 Ų163134 Ų13487%0.87280%0.797SS**  trans-159.1157.8150.3-140.3-22.9000112.5
44I26.6Very low28.2Very low143 Ų143136 Ų13673%0.73380%0.8SS**  trans-131.8125.8-171-147.8171.7000109.9
45L23.3Very low28.3Very low161 Ų161137.8 Ų137.884%0.84380%0.798SS**  trans-173.6142.2143.6-128.982.3000114.5
46T22.5Very low28.7Very low124 Ų124133.7 Ų133.776%0.76179%0.793SS**  trans-65.7140.916343.20000114.4
47V26.3Very low28.9Very low142 Ų142133 Ų13386%0.86180%0.795SS**  trans-149.8153.7137.3173.40000109.7
48T25.6Very low29.1Very low125 Ų125133.2 Ų133.277%0.76780%0.797SS**  trans-78.3166.8-169.4440000117.6
49P40.4Very low28.5Very low115 Ų115135.8 Ų135.875%0.74781%0.805SS**  trans-88.3164.7174.237.9-36.9000114.2
50V27.4Very low28.7Very low134 Ų134131.5 Ų131.581%0.81280%0.795SS**  trans-168.7151.4166.8139.80000105.3
51D28.8Very low28.7Very low134 Ų134135.1 Ų135.172%0.71780%0.797SS**  cis163.1140.4-28.4-102.7-46.3000105
52A29.7Very low29.1Very low95 Ų95136.1 Ų136.179%0.78579%0.791SS**  trans-176.281.2166.700000107.6
53E29.9Very low29.4Very low175 Ų175135.1 Ų135.182%0.81878%0.784SS**  67.1112.875.7-64.4-155.7118.600115.6
54T29.4Very low29.6Very low130 Ų130134.3 Ų134.380%0.79878%0.775SS**  trans-167.7101.1134.29.90000105.9
55E33.1Very low29.9Very low187 Ų187135.7 Ų135.787%0.87478%0.778SS**  60.6138.299.2-71.7-162.1168.200114.3
56A32.8Very low30.2Very low80 Ų80131.4 Ų131.466%0.66177%0.766SS**  cis-165.4171.4-11.500000107.2
57T30.3Very low30.7Very low144 Ų144131.1 Ų131.188%0.88376%0.764SS**  cis-151.1-171.29.5-230000110.3
58A29.3Very low31.3Very low89 Ų89132 Ų13274%0.73676%0.762SS**  trans-75.2159.1-179.300000117.4
59D24.6Very low31.9Very low166 Ų166131.8 Ų131.889%0.88876%0.761SS**  -146.3161.1108.7-160.113.7000110.5
60S34.4Very low31.7Very low89 Ų89134.9 Ų134.962%0.62276%0.762SS**  trans-142.6161.6-153.8-161.40000116.1
61M27.8Very low31.8Very low171 Ų171135.2 Ų135.284%0.84276%0.759SS**  trans73.2139.9166-51.9-178.869.300116.9
62S34.1Very low32.4Very low102 Ų102134.5 Ų134.571%0.71376%0.764SS**  cis-163.6148-4.643.40000112.6
63K33.8Very low33Very low168 Ų168137.4 Ų137.473%0.7376%0.762SS**  trans4.2137.5136.6-99.7-154.2157.6-143.40117
64E32.2Very low33.7Very low147 Ų147137.3 Ų137.369%0.68776%0.761SS**  cis-148.5179.6-1.7-68.1-179.4112.300107.3
65E31.2Very low34.3Very low171 Ų171137 Ų13780%0.79976%0.758SS**  cis-156.7-178.313.2-150.1-130.798.500111.4
66A31.4Very low34.5Very low71 Ų71134.7 Ų134.759%0.58775%0.752SS**  trans64.9142.4162.900000121.4
67V31.5Very low35Very low119 Ų119136.7 Ų136.772%0.72176%0.756SS**  trans83.189.9160-162.30000119.4
68I40.4Very low36.2Very low161 Ų161134.7 Ų134.783%0.82674%0.737SS**  trans51.7101.2135.9-47.5169.2000118.4
69V36.5Very low37.6Very low120 Ų120133.6 Ų133.673%0.72773%0.728SS**  trans-151.9136156-145.60000113.8
70K36.2Very low39.9Very low180 Ų180129.3 Ų129.378%0.78371%0.705SS**  trans64158.8152.8-89.4163.8179.2171.60118
71L29.4Very low42.6Very low140 Ų140127.6 Ų127.673%0.73369%0.69SS**  cis-119156.3-1.6-67.782.8000107.8
72S43.3Very low45.7Very low119 Ų119124.5 Ų124.583%0.83267%0.672SS**  cis6051.547-58.80000114.3
73E41.5Very low48.6Very low157 Ų157122.6 Ų122.673%0.73465%0.65SS**  trans-131.2153.7167.6-156.1160.2129.500108.7V75E73-V75 PolarHBondContact O-N 3.2Å
74E45.5Very low51.5Low173 Ų173118.2 Ų118.281%0.80864%0.639SS**  trans-62.3104.6-16247-99.983.200116
75V40.3Very low54.6Low122 Ų122111.3 Ų111.374%0.73961%0.607SS**  trans-88.1122.6155.9177.90000108.4E73 V77E73-V75 PolarHBondContact O-N 3.2Å; V75-V77 WeakPolarHBondContact O-CG2 3.46Å; V75-V77 PolarHBondContact O-N 3.22Å
76D37.8Very low57.6Low139 Ų139105.2 Ų105.274%0.74358%0.581SS**  trans-58.492.3169.2175.734000110.8E78D76-E78 PolarHBondContact O-N 2.92Å; D76-E78 VanDerWaalsContact O-N 3.13Å; D76-E78 PolarHBondContact OD1-N 2.76Å
77V44.4Very low60.6Low123 Ų123101.8 Ų101.875%0.74555%0.553SS**  trans-85.660171-164.80000109.2V75 A79V75-V77 WeakPolarHBondContact O-CG2 3.46Å; V75-V77 PolarHBondContact O-N 3.22Å; V77-A79 VanDerWaalsContact C-N 3.29Å; V77-A79 PolarHBondContact O-N 2.93Å
78E54.2Low63.4Low101 Ų10197.7 Ų97.747%0.47253%0.534SS..  trans-62.299.6158.2-170.1-168.5-140.400106.4D76 D80 K97D76-E78 PolarHBondContact O-N 2.92Å; D76-E78 VanDerWaalsContact O-N 3.13Å; D76-E78 PolarHBondContact OD1-N 2.76Å; E78-D80 PolarHBondContact O-N 2.93Å; E78-K97 PolarHBondContact O-NZ 3.25Å; E78-K97 WeakPolarHBondContact OE2-CE 3.44Å; E78-K97 IonicContact OE2-NZ 3.81Å; E78-K97 PolarHBondContact OE2-NZ 2.88Å
79A58.7Low65.8Low67 Ų6797.8 Ų97.855%0.55454%0.537SS*.  trans-57.8132.2-175.700000110.6V77 V81V77-A79 VanDerWaalsContact C-N 3.29Å; V77-A79 PolarHBondContact O-N 2.93Å; A79-V81 PolarHBondContact O-N 3.28Å
80D74.3Confident68.5Low75 Ų7593 Ų9340%0.40151%0.509SS..  trans-62.3114.4170.4-87.6-0.8000108.6E78 F82 K97E78-D80 PolarHBondContact O-N 2.93Å; D80-F82 HydrophobicContact CB-CD2 4.41Å; D80-F82 HydrophobicContact CB-CE1 4.39Å; D80-F82 HydrophobicContact CB-CE2 3.58Å; D80-F82 HydrophobicContact CB-CZ 3.57Å; D80-F82 WeakPolarHBondContact O-CD2 3.46Å; D80-F82 WeakPolarHBondContact O-CE2 3.16Å; D80-F82 PolarHBondContact O-N 3.15Å; D80-K97 WeakPolarHBondContact OD1-CD 3.33Å; D80-K97 WeakPolarHBondContact OD1-CE 3.12Å; D80-K97 IonicContact OD1-NZ 2.84Å; D80-K97 PolarHBondContact OD1-NZ 2.94Å
81V90.2Very high71.3Confident53 Ų5392.3 Ų92.332%0.32151%0.506SS..  trans-79.2120.9-179.4-176.30000108.8A79 Y83 W96A79-V81 PolarHBondContact O-N 3.28Å; V81-Y83 HydrophobicContact CG1-CD2 4.27Å; V81-Y83 HydrophobicContact CG1-CE1 4.47Å; V81-Y83 HydrophobicContact CG1-CE2 3.61Å; V81-W96 HydrophobicContact CB-CB 4.07Å; V81-W96 HydrophobicContact CB-CE3 3.98Å; V81-W96 HydrophobicContact CG1-CB 4.44Å; V81-W96 HydrophobicContact CG2-CE3 4.03Å; V81-W96 VanDerWaalsContact O-CB 3.28Å; V81-W96 WeakPolarHBondContact O-CB 3.43Å; V81-W96 PolarHBondContact O-N 2.69Å
82F93.6Very high74.5Confident106 Ų10686.1 Ų86.147%0.46548%0.476SS..EExtended strand (participates in β ladder)trans-112.9126.8-177.2-65.7-74.5000110.6D80 T93 L94 V95D80-F82 HydrophobicContact CB-CD2 4.41Å; D80-F82 HydrophobicContact CB-CE1 4.39Å; D80-F82 HydrophobicContact CB-CE2 3.58Å; D80-F82 HydrophobicContact CB-CZ 3.57Å; D80-F82 WeakPolarHBondContact O-CD2 3.46Å; D80-F82 WeakPolarHBondContact O-CE2 3.16Å; D80-F82 PolarHBondContact O-N 3.15Å; F82-T93 HydrophobicContact CB-CG2 3.62Å; F82-T93 HydrophobicContact CD1-CG2 3.82Å; F82-T93 HydrophobicContact CG-CG2 4.1Å; F82-L94 WeakPolarHBondContact CA-O 3.26Å; F82-V95 HydrophobicContact CD1-CB 4.37Å; F82-V95 HydrophobicContact CD1-CG1 4.29Å; F82-V95 HydrophobicContact CD1-CG2 3.99Å; F82-V95 HydrophobicContact CE1-CB 4.24Å; F82-V95 HydrophobicContact CE1-CG1 3.83Å; F82-V95 HydrophobicContact CE1-CG2 3.76Å
83Y94.6Very high77Confident63 Ų6382.8 Ų82.825%0.24745%0.45CS..EExtended strand (participates in β ladder)trans-110.9122.5177.3-67.9-78.5000111.2V81 I85 L94 W96 L139 L153V81-Y83 HydrophobicContact CG1-CD2 4.27Å; V81-Y83 HydrophobicContact CG1-CE1 4.47Å; V81-Y83 HydrophobicContact CG1-CE2 3.61Å; Y83-I85 PolarHBondContact O-N 3.31Å; Y83-L94 PolarHBondContact N-O 3.45Å; Y83-L94 PolarHBondContact O-N 3.02Å; Y83-W96 HydrophobicContact CD2-CB 3.98Å; Y83-W96 HydrophobicContact CD2-CG 4.4Å; Y83-W96 HydrophobicContact CE2-CB 3.73Å; Y83-W96 HydrophobicContact CE2-CD2 4.37Å; Y83-W96 AromaticContact CE2-CG 3.77Å; Y83-W96 HydrophobicContact CE2-CG 3.77Å; Y83-L139 HydrophobicContact CD1-CD1 3.96Å; Y83-L139 HydrophobicContact CG-CD1 4.03Å; Y83-L153 HydrophobicContact CD1-CD1 3.99Å; Y83-L153 HydrophobicContact CD2-CD1 3.51Å; Y83-L153 HydrophobicContact CE1-CD1 4.07Å; Y83-L153 HydrophobicContact CE2-CD1 3.6Å; Y83-L153 HydrophobicContact CE2-CG 4.23Å; Y83-L153 HydrophobicContact CG-CD1 3.71Å
84P94.9Very high79.5Confident75 Ų7575.4 Ų75.449%0.48742%0.416SS..EExtended strand (participates in β ladder)trans-69.7121.7175.628.6-33.3000110.2
85I96.1Very high81.9Confident3 Ų367.6 Ų67.62%0.01538%0.38CS..EExtended strand (participates in β ladder)trans-121.7155.4179.762.1161.7000111.9Y83 A92 L94 V109 F121 I137 R138 L139Y83-I85 PolarHBondContact O-N 3.31Å; I85-A92 HydrophobicContact CD1-CB 4.43Å; I85-A92 HydrophobicContact CG1-CB 4.07Å; I85-A92 WeakPolarHBondContact CG1-O 3.26Å; I85-A92 PolarHBondContact N-O 2.88Å; I85-A92 PolarHBondContact O-N 2.95Å; I85-L94 HydrophobicContact CD1-CB 4.16Å; I85-L94 HydrophobicContact CG1-CB 4.31Å; I85-L94 HydrophobicContact CG2-CB 3.93Å; I85-V109 HydrophobicContact CD1-CG1 3.9Å; I85-V109 HydrophobicContact CD1-CG2 3.82Å; I85-F121 HydrophobicContact CD1-CD1 4.06Å; I85-F121 HydrophobicContact CD1-CE1 3.82Å; I85-F121 HydrophobicContact CG1-CE1 4.26Å; I85-I137 HydrophobicContact CB-CG2 3.9Å; I85-I137 HydrophobicContact CD1-CD1 4.46Å; I85-I137 HydrophobicContact CD1-CG2 3.8Å; I85-I137 HydrophobicContact CG1-CG2 4.43Å; I85-I137 HydrophobicContact CG2-CG2 4.2Å; I85-R138 CarbonylContact C-O 3.52Å; I85-R138 VanDerWaalsContact CA-O 3.26Å; I85-R138 WeakPolarHBondContact CA-O 3.45Å; I85-L139 HydrophobicContact CG2-CB 4.09Å; I85-L139 HydrophobicContact CG2-CG 4.08Å
86T95.4Very high84.4Confident42 Ų4265.4 Ų65.426%0.25836%0.359SS..EExtended strand (participates in β ladder)trans-133.8150.617961.90000110.5A90 K91 I137 R138T86-A90 CarbonylContact C-O 3.55Å; T86-A90 VanDerWaalsContact CA-O 3.27Å; T86-A90 WeakPolarHBondContact CA-O 3.47Å; T86-K91 HydrophobicContact CG2-CG 4.1Å; T86-I137 WeakPolarHBondContact O-CA 3.28Å; T86-R138 PolarHBondContact N-O 3.43Å; T86-R138 PolarHBondContact O-N 3.06Å
87C94.9Very high87Confident0 Ų060.7 Ų60.70%033%0.331CS..EExtended strand (participates in β ladder)trans-140.599.4172.3-173.20000107.5D89 A90 F121 A125C87-D89 PolarHBondContact O-N 3.29Å; C87-A90 PolarHBondContact N-O 2.78Å; C87-A90 PolarHBondContact O-N 3.05Å; C87-F121 HydrophobicContact CB-CD1 4.05Å; C87-F121 HydrophobicContact CB-CE1 3.42Å; C87-F121 VanDerWaalsContact CB-CE1 3.42Å; C87-F121 HydrophobicContact CB-CE2 4.49Å; C87-F121 HydrophobicContact CB-CZ 3.68Å; C87-A125 HydrophobicContact CB-CB 3.69Å; C87-A125 WeakPolarHBondContact O-CB 3.41Å; C87-A125 VanDerWaalsContact SG-CB 3.53Å
88G89.3Confident89.3Confident32 Ų3260.1 Ų60.133%0.3332%0.319SS..THydrogen-bonded Turntrans58.5-121.5-164.800000110.1
89D90.2Very high91.2Very high163 Ų16355.3 Ų55.387%0.87230%0.296SS*.THydrogen-bonded Turntrans-90.9-14.2-174.3-41.4-45.7000112C87C87-D89 PolarHBondContact O-N 3.29Å
90A94.2Very high92.9Very high19 Ų1954.1 Ų54.116%0.15728%0.282CS..EExtended strand (participates in β ladder)trans-77.7134.1176.500000111.4T86 C87 F111 F121 A125T86-A90 CarbonylContact C-O 3.55Å; T86-A90 VanDerWaalsContact CA-O 3.27Å; T86-A90 WeakPolarHBondContact CA-O 3.47Å; C87-A90 PolarHBondContact N-O 2.78Å; C87-A90 PolarHBondContact O-N 3.05Å; A90-F111 HydrophobicContact CB-CE2 4.11Å; A90-F111 HydrophobicContact CB-CZ 4.43Å; A90-F121 HydrophobicContact CB-CE2 3.86Å; A90-F121 HydrophobicContact CB-CZ 4.24Å; A90-A125 HydrophobicContact CB-CB 3.89Å
91K95.1Very high93.8Very high166 Ų16651 Ų5172%0.72227%0.267SS*.EExtended strand (participates in β ladder)trans-114.4137.7177.2-58.5-179.9179.4173.90109.8T86 F111T86-K91 HydrophobicContact CG2-CG 4.1Å; K91-F111 VanDerWaalsContact O-CD2 3.26Å; K91-F111 WeakPolarHBondContact O-CD2 3.43Å; K91-F111 WeakPolarHBondContact O-CE2 3.49Å
92A95.7Very high93.8Very high11 Ų1150.3 Ų50.39%0.09126%0.263CS..EExtended strand (participates in β ladder)trans-149.8173.9-179.600000110.7I85 V109 Q110 F111 F121I85-A92 HydrophobicContact CD1-CB 4.43Å; I85-A92 HydrophobicContact CG1-CB 4.07Å; I85-A92 WeakPolarHBondContact CG1-O 3.26Å; I85-A92 PolarHBondContact N-O 2.88Å; I85-A92 PolarHBondContact O-N 2.95Å; A92-V109 HydrophobicContact CB-CG1 3.51Å; A92-Q110 WeakPolarHBondContact CA-O 3.41Å; A92-Q110 WeakPolarHBondContact CB-O 3.29Å; A92-F111 HydrophobicContact CB-CB 4.08Å; A92-F111 HydrophobicContact CB-CD2 3.96Å; A92-F111 HydrophobicContact CB-CG 4.49Å; A92-F121 HydrophobicContact CB-CD2 4.06Å; A92-F121 HydrophobicContact CB-CE1 4.13Å; A92-F121 HydrophobicContact CB-CE2 3.5Å; A92-F121 HydrophobicContact CB-CZ 3.55Å
93T95.8Very high93.7Very high48 Ų4845.3 Ų45.329%0.29424%0.241SC..EExtended strand (participates in β ladder)trans-120.4122.6178.2-56.10000110F82 V109 Q110F82-T93 HydrophobicContact CB-CG2 3.62Å; F82-T93 HydrophobicContact CD1-CG2 3.82Å; F82-T93 HydrophobicContact CG-CG2 4.1Å; T93-V109 CarbonylContact O-C 3.48Å; T93-Q110 PolarHBondContact N-O 3.44Å; T93-Q110 PolarHBondContact O-N 3Å
94L95.3Very high93.6Very high3 Ų345 Ų452%0.01624%0.243CC..EExtended strand (participates in β ladder)trans-83.6120.8174-179.472.1000109.7F82 Y83 I85 W96 F99 C108 V109 L153F82-L94 WeakPolarHBondContact CA-O 3.26Å; Y83-L94 PolarHBondContact N-O 3.45Å; Y83-L94 PolarHBondContact O-N 3.02Å; I85-L94 HydrophobicContact CD1-CB 4.16Å; I85-L94 HydrophobicContact CG1-CB 4.31Å; I85-L94 HydrophobicContact CG2-CB 3.93Å; L94-W96 PolarHBondContact O-N 2.83Å; L94-F99 HydrophobicContact CD1-CB 4.31Å; L94-F99 HydrophobicContact CD1-CD2 3.81Å; L94-F99 HydrophobicContact CD1-CE2 4.39Å; L94-F99 HydrophobicContact CD1-CG 4.17Å; L94-F99 HydrophobicContact CD2-CD1 4.37Å; L94-F99 HydrophobicContact CD2-CD2 4.39Å; L94-F99 HydrophobicContact CD2-CG 4.24Å; L94-C108 HydrophobicContact CD1-CB 4.26Å; L94-V109 HydrophobicContact CD1-CG2 3.9Å; L94-L153 HydrophobicContact CD2-CD1 4.39Å
95V95.3Very high93.5Very high9 Ų946.6 Ų46.66%0.05525%0.247CC..EExtended strand (participates in β ladder)trans-86.1103.9175.6-168.90000108.6F82 K97 K98 F99 C108 L115F82-V95 HydrophobicContact CD1-CB 4.37Å; F82-V95 HydrophobicContact CD1-CG1 4.29Å; F82-V95 HydrophobicContact CD1-CG2 3.99Å; F82-V95 HydrophobicContact CE1-CB 4.24Å; F82-V95 HydrophobicContact CE1-CG1 3.83Å; F82-V95 HydrophobicContact CE1-CG2 3.76Å; V95-K97 PolarHBondContact O-N 3.22Å; V95-K98 HydrophobicContact CB-CB 4.29Å; V95-K98 HydrophobicContact CB-CG 4.19Å; V95-K98 HydrophobicContact CG1-CB 4.41Å; V95-K98 HydrophobicContact CG1-CG 3.86Å; V95-K98 PolarHBondContact O-N 3.42Å; V95-K98 VanDerWaalsContact O-N 3.07Å; V95-F99 PolarHBondContact O-N 3.35Å; V95-C108 PolarHBondContact N-O 2.97Å; V95-L115 HydrophobicContact CG2-CD1 3.99Å
96W93.2Very high93.4Very high75 Ų7548.7 Ų48.728%0.28426%0.26SS..G310 helixtrans-62.4-44.5-168.2-175.451.2000113V81 Y83 L94 K98 F99 D154 Y156V81-W96 HydrophobicContact CB-CB 4.07Å; V81-W96 HydrophobicContact CB-CE3 3.98Å; V81-W96 HydrophobicContact CG1-CB 4.44Å; V81-W96 HydrophobicContact CG2-CE3 4.03Å; V81-W96 VanDerWaalsContact O-CB 3.28Å; V81-W96 WeakPolarHBondContact O-CB 3.43Å; V81-W96 PolarHBondContact O-N 2.69Å; Y83-W96 HydrophobicContact CD2-CB 3.98Å; Y83-W96 HydrophobicContact CD2-CG 4.4Å; Y83-W96 HydrophobicContact CE2-CB 3.73Å; Y83-W96 HydrophobicContact CE2-CD2 4.37Å; Y83-W96 AromaticContact CE2-CG 3.77Å; Y83-W96 HydrophobicContact CE2-CG 3.77Å; L94-W96 PolarHBondContact O-N 2.83Å; W96-K98 PolarHBondContact O-N 3.12Å; W96-F99 WeakPolarHBondContact O-CA 3.48Å; W96-F99 VanDerWaalsContact O-CB 3.27Å; W96-F99 WeakPolarHBondContact O-CB 3.27Å; W96-F99 PolarHBondContact O-N 2.86Å; W96-D154 PolarHBondContact NE1-O 2.87Å; W96-Y156 HydrophobicContact CE3-CD2 4.46Å; W96-Y156 HydrophobicContact CZ3-CD2 4.5Å; W96-Y156 WeakPolarHBondContact O-CB 3.36Å
97K92.1Very high93.4Very high40 Ų4052.4 Ų52.417%0.17427%0.273CS..G310 helixtrans-60.5-18.2177.6-59.5-161.3-161172.80114.2E78 D80 V95 Y156E78-K97 PolarHBondContact O-NZ 3.25Å; E78-K97 WeakPolarHBondContact OE2-CE 3.44Å; E78-K97 IonicContact OE2-NZ 3.81Å; E78-K97 PolarHBondContact OE2-NZ 2.88Å; D80-K97 WeakPolarHBondContact OD1-CD 3.33Å; D80-K97 WeakPolarHBondContact OD1-CE 3.12Å; D80-K97 IonicContact OD1-NZ 2.84Å; D80-K97 PolarHBondContact OD1-NZ 2.94Å; V95-K97 PolarHBondContact O-N 3.22Å; K97-Y156 HydrophobicContact CG-CE2 4.23Å; K97-Y156 WeakPolarHBondContact O-CD1 3.44Å
98K92.8Very high93.4Very high111 Ų11152.4 Ų52.448%0.48327%0.273SS..G310 helixtrans-95.2-10.4173.9-56-60.2-177.7-174.30112.8V95 W96 V100 V106 C108V95-K98 HydrophobicContact CB-CB 4.29Å; V95-K98 HydrophobicContact CB-CG 4.19Å; V95-K98 HydrophobicContact CG1-CB 4.41Å; V95-K98 HydrophobicContact CG1-CG 3.86Å; V95-K98 PolarHBondContact O-N 3.42Å; V95-K98 VanDerWaalsContact O-N 3.07Å; W96-K98 PolarHBondContact O-N 3.12Å; K98-V100 VanDerWaalsContact C-N 3.27Å; K98-V100 PolarHBondContact O-N 3.44Å; K98-V106 VanDerWaalsContact O-CG1 3.25Å; K98-V106 WeakPolarHBondContact O-CG1 3.11Å; K98-C108 HydrophobicContact CB-CB 3.82Å; K98-C108 WeakPolarHBondContact O-CB 3.49Å
99F94.4Very high93.7Very high0 Ų050.9 Ų50.90%026%0.257CS..  trans-80.367.1-177.2-174.2-122.3000111.9L94 V95 W96 C108 W133 L144 M148 L153 F155 Y156L94-F99 HydrophobicContact CD1-CB 4.31Å; L94-F99 HydrophobicContact CD1-CD2 3.81Å; L94-F99 HydrophobicContact CD1-CE2 4.39Å; L94-F99 HydrophobicContact CD1-CG 4.17Å; L94-F99 HydrophobicContact CD2-CD1 4.37Å; L94-F99 HydrophobicContact CD2-CD2 4.39Å; L94-F99 HydrophobicContact CD2-CG 4.24Å; V95-F99 PolarHBondContact O-N 3.35Å; W96-F99 WeakPolarHBondContact O-CA 3.48Å; W96-F99 VanDerWaalsContact O-CB 3.27Å; W96-F99 WeakPolarHBondContact O-CB 3.27Å; W96-F99 PolarHBondContact O-N 2.86Å; F99-C108 HydrophobicContact CB-CB 4.37Å; F99-W133 AromaticContact CE2-CH2 3.81Å; F99-W133 HydrophobicContact CE2-CH2 3.81Å; F99-W133 HydrophobicContact CE2-CZ3 4.12Å; F99-W133 HydrophobicContact CZ-CH2 4.08Å; F99-W133 HydrophobicContact CZ-CZ3 4.48Å; F99-L144 HydrophobicContact CZ-CD2 4.39Å; F99-M148 HydrophobicContact CE1-CE 3.74Å; F99-M148 HydrophobicContact CE1-SD 4.35Å; F99-M148 HydrophobicContact CZ-CE 3.88Å; F99-M148 HydrophobicContact CZ-SD 4.06Å; F99-L153 HydrophobicContact CD1-CD2 3.98Å; F99-L153 HydrophobicContact CE1-CD2 3.66Å; F99-F155 AromaticContact CD1-CD1 3.85Å; F99-F155 HydrophobicContact CD1-CD1 3.85Å; F99-F155 HydrophobicContact CD1-CG 4.49Å; F99-F155 HydrophobicContact CD2-CD1 4.24Å; F99-F155 HydrophobicContact CD2-CE1 4.46Å; F99-F155 AromaticContact CE1-CD1 3.56Å; F99-F155 HydrophobicContact CE1-CD1 3.56Å; F99-F155 AromaticContact CE1-CE1 3.93Å; F99-F155 HydrophobicContact CE1-CE1 3.93Å; F99-F155 HydrophobicContact CE1-CG 4.21Å; F99-F155 AromaticContact CE2-CD1 3.99Å; F99-F155 HydrophobicContact CE2-CD1 3.99Å; F99-F155 AromaticContact CE2-CE1 3.83Å; F99-F155 HydrophobicContact CE2-CE1 3.83Å; F99-F155 HydrophobicContact CG-CD1 4.19Å; F99-F155 AromaticContact CZ-CD1 3.64Å; F99-F155 HydrophobicContact CZ-CD1 3.64Å; F99-F155 AromaticContact CZ-CE1 3.53Å; F99-F155 HydrophobicContact CZ-CE1 3.53Å; F99-F155 HydrophobicContact CZ-CZ 4.44Å; F99-F155 CarbonylContact O-C 3.58Å; F99-F155 VanDerWaalsContact O-CA 3.24Å; F99-F155 WeakPolarHBondContact O-CA 3.46Å; F99-F155 WeakPolarHBondContact O-CB 3.26Å; F99-Y156 PolarHBondContact O-N 2.86Å
100V93.5Very high94Very high43 Ų4346.6 Ų46.626%0.26123%0.232SC..  trans-90.2142.9-178.8-176.80000111.3K98 G103 Y156 V161K98-V100 VanDerWaalsContact C-N 3.27Å; K98-V100 PolarHBondContact O-N 3.44Å; V100-G103 VanDerWaalsContact O-CA 3.23Å; V100-G103 WeakPolarHBondContact O-CA 3.48Å; V100-G103 PolarHBondContact O-N 2.96Å; V100-Y156 HydrophobicContact CG2-CD1 4.49Å; V100-V161 HydrophobicContact CG1-CB 4.34Å; V100-V161 HydrophobicContact CG1-CG1 3.72Å
101C93.3Very high94Very high10 Ų1048 Ų487%0.06823%0.234CC..THydrogen-bonded Turntrans-58134178.9179.80000112.1F155 V161 S163 C166C101-F155 HydrophobicContact CB-CB 4.03Å; C101-F155 HydrophobicContact CB-CD1 4.25Å; C101-F155 HydrophobicContact CB-CD2 3.79Å; C101-F155 HydrophobicContact CB-CE2 4.23Å; C101-F155 HydrophobicContact CB-CG 3.78Å; C101-V161 VanDerWaalsContact CB-O 3.31Å; C101-V161 WeakPolarHBondContact CB-O 3.38Å; C101-S163 PolarHBondContact SG-N 2.97Å; C101-S163 PolarHBondContact SG-OG 3.19Å; C101-C166 WeakPolarHBondContact SG-CB 2.94Å; C101-C166 VanDerWaalsContact SG-SG 3.63Å
102P89.9Confident93.7Very high38 Ų3845.6 Ų45.625%0.24723%0.234CC..THydrogen-bonded Turncis-87.44.96.633.4-33.3000115.4I104 W133 F155 S163 C166P102-I104 HydrophobicContact CG-CG2 4.27Å; P102-I104 PolarHBondContact O-N 3.2Å; P102-W133 WeakPolarHBondContact O-CZ2 3.46Å; P102-F155 VanDerWaalsContact C-CE1 3.49Å; P102-F155 WeakPolarHBondContact O-CE1 3.48Å; P102-F155 WeakPolarHBondContact O-CZ 3.42Å; P102-S163 WeakPolarHBondContact CB-OG 3.42Å; P102-S163 WeakPolarHBondContact CD-OG 3.37Å; P102-C166 HydrophobicContact CB-CB 4.25Å
103G91.4Very high93.3Very high0 Ų052 Ų520%027%0.267CS..  trans75.1-39.6177.300000115.9V100 N105 V106 P118V100-G103 VanDerWaalsContact O-CA 3.23Å; V100-G103 WeakPolarHBondContact O-CA 3.48Å; V100-G103 PolarHBondContact O-N 2.96Å; G103-N105 VanDerWaalsContact C-N 3.32Å; G103-N105 PolarHBondContact O-N 3.46Å; G103-V106 PolarHBondContact O-N 3.22Å; G103-P118 VanDerWaalsContact O-CD 3.27Å; G103-P118 WeakPolarHBondContact O-CD 3.33Å; G103-P118 WeakPolarHBondContact O-CG 3.41Å
104I92.3Very high93.1Very high56 Ų5655.8 Ų55.829%0.28728%0.281SS..THydrogen-bonded Turntrans-47.9-44.1-167.3-172.4171.7000115.5P102 K119 W133P102-I104 HydrophobicContact CG-CG2 4.27Å; P102-I104 PolarHBondContact O-N 3.2Å; I104-K119 HydrophobicContact CG1-CB 4.07Å; I104-K119 HydrophobicContact CG1-CD 4.45Å; I104-K119 VanDerWaalsContact O-CB 3.23Å; I104-K119 WeakPolarHBondContact O-CB 3.27Å; I104-K119 PolarHBondContact O-N 3.09Å; I104-W133 HydrophobicContact CB-CZ2 4.27Å; I104-W133 HydrophobicContact CG1-CG 4.29Å
105N93Very high93.1Very high109 Ų10958.9 Ų58.958%0.58330%0.297SS*.THydrogen-bonded Turntrans-109.55.6179.9-56.4-39.9000112.6G103G103-N105 VanDerWaalsContact C-N 3.32Å; G103-N105 PolarHBondContact O-N 3.46Å
106V94.4Very high93.1Very high48 Ų4858.8 Ų58.829%0.29130%0.296SS..SBendtrans-84.7128-178.3-176.70000108.5K98 G103 C108 S117 P118K98-V106 VanDerWaalsContact O-CG1 3.25Å; K98-V106 WeakPolarHBondContact O-CG1 3.11Å; G103-V106 PolarHBondContact O-N 3.22Å; V106-C108 PolarHBondContact O-N 3.1Å; V106-C108 PolarHBondContact O-SG 2.97Å; V106-S117 WeakPolarHBondContact O-CA 3.35Å; V106-P118 WeakPolarHBondContact O-CD 3.24Å
107K95.6Very high93.3Very high119 Ų11955.4 Ų55.452%0.51728%0.284SS..  trans-72100.6177.8-70-173.9169.9-161.50109.9L115 I116K107-L115 HydrophobicContact CB-CD2 4.11Å; K107-L115 HydrophobicContact CB-CG 4.09Å; K107-L115 WeakPolarHBondContact CD-O 3.44Å; K107-L115 WeakPolarHBondContact O-CD2 3.45Å; K107-I116 WeakPolarHBondContact CA-O 3.48Å
108C94.8Very high93.4Very high0 Ų053.6 Ų53.60%028%0.277CS..  trans-143.2-3.4-174.258.90000113.3L94 V95 K98 F99 V106 I116L94-C108 HydrophobicContact CD1-CB 4.26Å; V95-C108 PolarHBondContact N-O 2.97Å; K98-C108 HydrophobicContact CB-CB 3.82Å; K98-C108 WeakPolarHBondContact O-CB 3.49Å; F99-C108 HydrophobicContact CB-CB 4.37Å; V106-C108 PolarHBondContact O-N 3.1Å; V106-C108 PolarHBondContact O-SG 2.97Å; C108-I116 PolarHBondContact N-O 3.41Å; C108-I116 VanDerWaalsContact N-O 3.08Å
109V96.2Very high93.5Very high0 Ų053.5 Ų53.50%028%0.276CS..EExtended strand (participates in β ladder)trans-107118.9177.6175.80000108.5I85 A92 T93 L94 L115 I116 P118 F121I85-V109 HydrophobicContact CD1-CG1 3.9Å; I85-V109 HydrophobicContact CD1-CG2 3.82Å; A92-V109 HydrophobicContact CB-CG1 3.51Å; T93-V109 CarbonylContact O-C 3.48Å; L94-V109 HydrophobicContact CD1-CG2 3.9Å; V109-L115 WeakPolarHBondContact O-CA 3.44Å; V109-I116 HydrophobicContact CB-CG1 4.21Å; V109-I116 HydrophobicContact CG1-CG1 4.29Å; V109-I116 PolarHBondContact N-O 3.46Å; V109-I116 WeakPolarHBondContact O-CG1 3.37Å; V109-I116 PolarHBondContact O-N 2.89Å; V109-P118 HydrophobicContact CG2-CG 4.12Å; V109-F121 HydrophobicContact CG1-CB 4.16Å; V109-F121 HydrophobicContact CG1-CD1 4.17Å; V109-F121 HydrophobicContact CG1-CD2 4.33Å; V109-F121 HydrophobicContact CG1-CG 3.97Å
110Q95.4Very high93.5Very high73 Ų7357.7 Ų57.734%0.34130%0.296SS..EExtended strand (participates in β ladder)trans-86.7114171-173.8174.64.900109A92 T93 Q114 L115A92-Q110 WeakPolarHBondContact CA-O 3.41Å; A92-Q110 WeakPolarHBondContact CB-O 3.29Å; T93-Q110 PolarHBondContact N-O 3.44Å; T93-Q110 PolarHBondContact O-N 3Å; Q110-Q114 WeakPolarHBondContact CA-O 3.34Å; Q110-L115 HydrophobicContact CB-CD1 4.46Å
111F94.3Very high93.6Very high48 Ų4855.6 Ų55.621%0.21128%0.283CS..EExtended strand (participates in β ladder)trans-131.5122179.6178.9-111.6000108.8A90 K91 A92 D113 Q114 I116 F121 L124A90-F111 HydrophobicContact CB-CE2 4.11Å; A90-F111 HydrophobicContact CB-CZ 4.43Å; K91-F111 VanDerWaalsContact O-CD2 3.26Å; K91-F111 WeakPolarHBondContact O-CD2 3.43Å; K91-F111 WeakPolarHBondContact O-CE2 3.49Å; A92-F111 HydrophobicContact CB-CB 4.08Å; A92-F111 HydrophobicContact CB-CD2 3.96Å; A92-F111 HydrophobicContact CB-CG 4.49Å; F111-D113 VanDerWaalsContact C-N 3.31Å; F111-D113 PolarHBondContact O-N 2.87Å; F111-Q114 PolarHBondContact N-O 2.92Å; F111-Q114 PolarHBondContact O-N 3.43Å; F111-I116 HydrophobicContact CB-CD1 3.65Å; F111-I116 HydrophobicContact CB-CG1 4.11Å; F111-I116 HydrophobicContact CD1-CD1 4.07Å; F111-I116 HydrophobicContact CG-CD1 4.16Å; F111-F121 HydrophobicContact CB-CD2 4.4Å; F111-F121 HydrophobicContact CD2-CD2 4.07Å; F111-F121 AromaticContact CD2-CE2 3.75Å; F111-F121 HydrophobicContact CD2-CE2 3.75Å; F111-F121 HydrophobicContact CE2-CE2 4.04Å; F111-F121 HydrophobicContact CG-CD2 4.14Å; F111-F121 HydrophobicContact CG-CE2 4.29Å; F111-L124 HydrophobicContact CD1-CD1 3.97Å; F111-L124 HydrophobicContact CE1-CB 4.47Å; F111-L124 HydrophobicContact CE1-CD1 4.06Å
112T89.3Confident93.6Very high116 Ų11655.4 Ų55.471%0.71228%0.282SS*.THydrogen-bonded Turntrans47.853.7-177.6-43.20000111.7Q114T112-Q114 PolarHBondContact O-N 3.29Å
113D86.8Confident93.8Very high147 Ų14756.8 Ų56.879%0.78629%0.291SS*.THydrogen-bonded Turntrans58.28.2-177.8-56.2-43.2000117.1F111F111-D113 VanDerWaalsContact C-N 3.31Å; F111-D113 PolarHBondContact O-N 2.87Å
114Q92.8Very high93.8Very high127 Ų12762.2 Ų62.259%0.59332%0.32SS*.EExtended strand (participates in β ladder)trans-107.7136173.4-170.6170.5100.800112Q110 F111 T112 I116Q110-Q114 WeakPolarHBondContact CA-O 3.34Å; F111-Q114 PolarHBondContact N-O 2.92Å; F111-Q114 PolarHBondContact O-N 3.43Å; T112-Q114 PolarHBondContact O-N 3.29Å; Q114-I116 HydrophobicContact CB-CG2 4.4Å; Q114-I116 HydrophobicContact CG-CG2 3.96Å; Q114-I116 PolarHBondContact O-N 3.27Å
115L94.8Very high93.8Very high68 Ų6860.5 Ų60.536%0.35631%0.314SS..EExtended strand (participates in β ladder)trans-84.6109.7173-16474.6000110.6V95 K107 V109 Q110V95-L115 HydrophobicContact CG2-CD1 3.99Å; K107-L115 HydrophobicContact CB-CD2 4.11Å; K107-L115 HydrophobicContact CB-CG 4.09Å; K107-L115 WeakPolarHBondContact CD-O 3.44Å; K107-L115 WeakPolarHBondContact O-CD2 3.45Å; V109-L115 WeakPolarHBondContact O-CA 3.44Å; Q110-L115 HydrophobicContact CB-CD1 4.46Å
116I96.1Very high93.6Very high6 Ų658 Ų583%0.03132%0.315CS..EExtended strand (participates in β ladder)trans-119.4167.8-177.464.1172.2000111.5K107 C108 V109 F111 Q114 E120 F121 L124K107-I116 WeakPolarHBondContact CA-O 3.48Å; C108-I116 PolarHBondContact N-O 3.41Å; C108-I116 VanDerWaalsContact N-O 3.08Å; V109-I116 HydrophobicContact CB-CG1 4.21Å; V109-I116 HydrophobicContact CG1-CG1 4.29Å; V109-I116 PolarHBondContact N-O 3.46Å; V109-I116 WeakPolarHBondContact O-CG1 3.37Å; V109-I116 PolarHBondContact O-N 2.89Å; F111-I116 HydrophobicContact CB-CD1 3.65Å; F111-I116 HydrophobicContact CB-CG1 4.11Å; F111-I116 HydrophobicContact CD1-CD1 4.07Å; F111-I116 HydrophobicContact CG-CD1 4.16Å; Q114-I116 HydrophobicContact CB-CG2 4.4Å; Q114-I116 HydrophobicContact CG-CG2 3.96Å; Q114-I116 PolarHBondContact O-N 3.27Å; I116-E120 HydrophobicContact CB-CB 4.25Å; I116-F121 HydrophobicContact CD1-CB 3.74Å; I116-F121 HydrophobicContact CD1-CD2 4.29Å; I116-F121 HydrophobicContact CD1-CG 4.47Å; I116-F121 HydrophobicContact CG1-CB 4.37Å; I116-L124 HydrophobicContact CD1-CD1 3.78Å
117S95.8Very high93.4Very high5 Ų559.1 Ų59.14%0.03532%0.315CS..  trans-82.8155.5173.7660000112.5V106 K119 E120 F121V106-S117 WeakPolarHBondContact O-CA 3.35Å; S117-K119 PolarHBondContact O-N 3.16Å; S117-E120 VanDerWaalsContact CB-OE2 3.26Å; S117-E120 WeakPolarHBondContact CB-OE2 3.43Å; S117-E120 PolarHBondContact N-OE2 2.98Å; S117-E120 PolarHBondContact O-N 3.24Å; S117-E120 VanDerWaalsContact O-N 3.1Å; S117-E120 VanDerWaalsContact OG-CG 3.28Å; S117-E120 WeakPolarHBondContact OG-CG 3.26Å; S117-E120 PolarHBondContact OG-N 2.78Å; S117-E120 PolarHBondContact OG-OE2 3.21Å; S117-F121 PolarHBondContact O-N 3.41Å
118P95.1Very high92.9Very high1 Ų157 Ų571%0.00632%0.315CS..Hα-helixtrans-53.8-35.7172.9-28.135.2000113.4G103 V106 V109 V122 W133 I137G103-P118 VanDerWaalsContact O-CD 3.27Å; G103-P118 WeakPolarHBondContact O-CD 3.33Å; G103-P118 WeakPolarHBondContact O-CG 3.41Å; V106-P118 WeakPolarHBondContact O-CD 3.24Å; V109-P118 HydrophobicContact CG2-CG 4.12Å; P118-V122 VanDerWaalsContact O-CG2 3.28Å; P118-V122 WeakPolarHBondContact O-CG2 3.26Å; P118-V122 PolarHBondContact O-N 2.84Å; P118-W133 HydrophobicContact CB-CD2 4.12Å; P118-W133 HydrophobicContact CB-CE3 3.42Å; P118-W133 VanDerWaalsContact CB-CE3 3.42Å; P118-W133 HydrophobicContact CB-CH2 4.45Å; P118-W133 HydrophobicContact CB-CZ3 3.61Å; P118-W133 HydrophobicContact CG-CE3 4.24Å; P118-W133 HydrophobicContact CG-CH2 4.46Å; P118-W133 HydrophobicContact CG-CZ3 3.92Å; P118-I137 HydrophobicContact CB-CD1 3.83Å
119K94.2Very high92.4Very high110 Ų11062.8 Ų62.848%0.47835%0.351SS..Hα-helixtrans-65.6-46.4175.4-176.9-178176.7-172.30112.2I104 S117 F121 V122 C123I104-K119 HydrophobicContact CG1-CB 4.07Å; I104-K119 HydrophobicContact CG1-CD 4.45Å; I104-K119 VanDerWaalsContact O-CB 3.23Å; I104-K119 WeakPolarHBondContact O-CB 3.27Å; I104-K119 PolarHBondContact O-N 3.09Å; S117-K119 PolarHBondContact O-N 3.16Å; K119-F121 VanDerWaalsContact C-N 3.35Å; K119-V122 PolarHBondContact O-N 2.9Å; K119-C123 PolarHBondContact O-N 2.91Å; K119-C123 PolarHBondContact O-SG 2.97Å; K119-C123 VanDerWaalsContact O-SG 3.33Å
120E94.8Very high91.8Very high87 Ų8766.6 Ų66.641%0.40737%0.371SS..Hα-helixtrans-62.5-42.8176.2-71.9158.614500110.9I116 S117 V122 C123 L124I116-E120 HydrophobicContact CB-CB 4.25Å; S117-E120 VanDerWaalsContact CB-OE2 3.26Å; S117-E120 WeakPolarHBondContact CB-OE2 3.43Å; S117-E120 PolarHBondContact N-OE2 2.98Å; S117-E120 PolarHBondContact O-N 3.24Å; S117-E120 VanDerWaalsContact O-N 3.1Å; S117-E120 VanDerWaalsContact OG-CG 3.28Å; S117-E120 WeakPolarHBondContact OG-CG 3.26Å; S117-E120 PolarHBondContact OG-N 2.78Å; S117-E120 PolarHBondContact OG-OE2 3.21Å; E120-V122 PolarHBondContact O-N 3.05Å; E120-C123 WeakPolarHBondContact O-CB 3.39Å; E120-C123 PolarHBondContact O-N 3.3Å; E120-C123 VanDerWaalsContact O-N 3.15Å; E120-L124 WeakPolarHBondContact O-CG 3.48Å; E120-L124 PolarHBondContact O-N 2.88Å
121F95.3Very high91.4Very high0 Ų073.3 Ų73.30%040%0.399CS..Hα-helixtrans-59.3-45176.2179.7-126.9000112.5I85 C87 A90 A92 V109 F111 I116 S117 K119 C123 L124 A125 I137I85-F121 HydrophobicContact CD1-CD1 4.06Å; I85-F121 HydrophobicContact CD1-CE1 3.82Å; I85-F121 HydrophobicContact CG1-CE1 4.26Å; C87-F121 HydrophobicContact CB-CD1 4.05Å; C87-F121 HydrophobicContact CB-CE1 3.42Å; C87-F121 VanDerWaalsContact CB-CE1 3.42Å; C87-F121 HydrophobicContact CB-CE2 4.49Å; C87-F121 HydrophobicContact CB-CZ 3.68Å; A90-F121 HydrophobicContact CB-CE2 3.86Å; A90-F121 HydrophobicContact CB-CZ 4.24Å; A92-F121 HydrophobicContact CB-CD2 4.06Å; A92-F121 HydrophobicContact CB-CE1 4.13Å; A92-F121 HydrophobicContact CB-CE2 3.5Å; A92-F121 HydrophobicContact CB-CZ 3.55Å; V109-F121 HydrophobicContact CG1-CB 4.16Å; V109-F121 HydrophobicContact CG1-CD1 4.17Å; V109-F121 HydrophobicContact CG1-CD2 4.33Å; V109-F121 HydrophobicContact CG1-CG 3.97Å; F111-F121 HydrophobicContact CB-CD2 4.4Å; F111-F121 HydrophobicContact CD2-CD2 4.07Å; F111-F121 AromaticContact CD2-CE2 3.75Å; F111-F121 HydrophobicContact CD2-CE2 3.75Å; F111-F121 HydrophobicContact CE2-CE2 4.04Å; F111-F121 HydrophobicContact CG-CD2 4.14Å; F111-F121 HydrophobicContact CG-CE2 4.29Å; I116-F121 HydrophobicContact CD1-CB 3.74Å; I116-F121 HydrophobicContact CD1-CD2 4.29Å; I116-F121 HydrophobicContact CD1-CG 4.47Å; I116-F121 HydrophobicContact CG1-CB 4.37Å; S117-F121 PolarHBondContact O-N 3.41Å; K119-F121 VanDerWaalsContact C-N 3.35Å; F121-C123 VanDerWaalsContact C-N 3.3Å; F121-C123 PolarHBondContact O-N 3.36Å; F121-L124 PolarHBondContact O-N 3.32Å; F121-A125 VanDerWaalsContact O-CB 3.24Å; F121-A125 WeakPolarHBondContact O-CB 3.47Å; F121-A125 PolarHBondContact O-N 3.48Å; F121-I137 HydrophobicContact CD1-CD1 3.95Å; F121-I137 HydrophobicContact CD1-CG1 4.07Å; F121-I137 HydrophobicContact CE1-CG1 4.32Å
122V94.5Very high91.2Very high6 Ų672.8 Ų72.84%0.03640%0.398CS..Hα-helixtrans-64.2-34.1176169.90000112.2P118 K119 E120 K127 S128 W133 A136 I137P118-V122 VanDerWaalsContact O-CG2 3.28Å; P118-V122 WeakPolarHBondContact O-CG2 3.26Å; P118-V122 PolarHBondContact O-N 2.84Å; K119-V122 PolarHBondContact O-N 2.9Å; E120-V122 PolarHBondContact O-N 3.05Å; V122-K127 HydrophobicContact CG1-CB 4.07Å; V122-K127 WeakPolarHBondContact CG1-O 3.28Å; V122-K127 CarbonylContact O-C 3.42Å; V122-K127 PolarHBondContact O-N 3.47Å; V122-S128 PolarHBondContact O-N 2.92Å; V122-W133 HydrophobicContact CG2-CB 4.14Å; V122-A136 HydrophobicContact CG1-CB 3.85Å; V122-A136 HydrophobicContact CG2-CB 3.76Å; V122-I137 HydrophobicContact CG2-CD1 4.09Å; V122-I137 HydrophobicContact CG2-CG1 3.72Å
123C93.4Very high91.4Very high66 Ų6668.2 Ų68.245%0.44637%0.368SS..Hα-helixtrans-68.7-47173.2-700000112.8K119 E120 F121 A125 G126K119-C123 PolarHBondContact O-N 2.91Å; K119-C123 PolarHBondContact O-SG 2.97Å; K119-C123 VanDerWaalsContact O-SG 3.33Å; E120-C123 WeakPolarHBondContact O-CB 3.39Å; E120-C123 PolarHBondContact O-N 3.3Å; E120-C123 VanDerWaalsContact O-N 3.15Å; F121-C123 VanDerWaalsContact C-N 3.3Å; F121-C123 PolarHBondContact O-N 3.36Å; C123-A125 VanDerWaalsContact C-N 3.26Å; C123-A125 PolarHBondContact O-N 2.83Å; C123-G126 PolarHBondContact O-N 3.47Å; C123-G126 VanDerWaalsContact O-N 3.08Å
124L91.8Very high91.6Very high114 Ų11461.7 Ų61.760%0.59733%0.332SS*.Hα-helixtrans-62.5-34.7177.9-69.1171.9000112F111 I116 E120 F121 G126F111-L124 HydrophobicContact CD1-CD1 3.97Å; F111-L124 HydrophobicContact CE1-CB 4.47Å; F111-L124 HydrophobicContact CE1-CD1 4.06Å; I116-L124 HydrophobicContact CD1-CD1 3.78Å; E120-L124 WeakPolarHBondContact O-CG 3.48Å; E120-L124 PolarHBondContact O-N 2.88Å; F121-L124 PolarHBondContact O-N 3.32Å; L124-G126 PolarHBondContact O-N 3.24Å
125A91.4Very high91.7Very high21 Ų2162.4 Ų62.417%0.17433%0.33CS..THydrogen-bonded Turntrans-74.55.7174.300000115C87 A90 F121 C123 K127C87-A125 HydrophobicContact CB-CB 3.69Å; C87-A125 WeakPolarHBondContact O-CB 3.41Å; C87-A125 VanDerWaalsContact SG-CB 3.53Å; A90-A125 HydrophobicContact CB-CB 3.89Å; F121-A125 VanDerWaalsContact O-CB 3.24Å; F121-A125 WeakPolarHBondContact O-CB 3.47Å; F121-A125 PolarHBondContact O-N 3.48Å; C123-A125 VanDerWaalsContact C-N 3.26Å; C123-A125 PolarHBondContact O-N 2.83Å; A125-K127 PolarHBondContact O-N 3.07Å; A125-K127 VanDerWaalsContact O-N 3.14Å
126G89.9Confident91.6Very high57 Ų5759.3 Ų59.359%0.58831%0.314SS*.THydrogen-bonded Turntrans67.111.2-179.100000115.1C123 L124C123-G126 PolarHBondContact O-N 3.47Å; C123-G126 VanDerWaalsContact O-N 3.08Å; L124-G126 PolarHBondContact O-N 3.24Å
127K89.5Confident91.6Very high71 Ų7159 Ų5931%0.30931%0.313SS..  trans-100.818.1-179.4-63-152.5-170.7-58.70113.9V122 A125 T129 L130 A136V122-K127 HydrophobicContact CG1-CB 4.07Å; V122-K127 WeakPolarHBondContact CG1-O 3.28Å; V122-K127 CarbonylContact O-C 3.42Å; V122-K127 PolarHBondContact O-N 3.47Å; A125-K127 PolarHBondContact O-N 3.07Å; A125-K127 VanDerWaalsContact O-N 3.14Å; K127-T129 PolarHBondContact O-N 3.49Å; K127-T129 VanDerWaalsContact O-N 3.1Å; K127-L130 HydrophobicContact CB-CD1 4.4Å; K127-L130 HydrophobicContact CD-CD1 4.19Å; K127-L130 WeakPolarHBondContact O-CB 3.37Å; K127-L130 PolarHBondContact O-N 3.1Å; K127-A136 HydrophobicContact CB-CB 4.37Å
128S85.8Confident91.5Very high73 Ų7363.8 Ų63.851%0.5133%0.33SS..THydrogen-bonded Turntrans-57.8-20175.753.60000114.6V122 L130V122-S128 PolarHBondContact O-N 2.92Å; S128-L130 PolarHBondContact O-N 3.09Å
129T83.6Confident91.5Very high122 Ų12264.3 Ų64.375%0.74833%0.332SS*.THydrogen-bonded Turntrans-64.4-25.8171.855.10000112.7K127 K131K127-T129 PolarHBondContact O-N 3.49Å; K127-T129 VanDerWaalsContact O-N 3.1Å; T129-K131 PolarHBondContact O-N 3.38Å
130L84.4Confident91.3Very high81 Ų8165.3 Ų65.342%0.42434%0.343SS..  trans-81.4106.7172.6-64.3175.6000110K127 S128 D132 A136K127-L130 HydrophobicContact CB-CD1 4.4Å; K127-L130 HydrophobicContact CD-CD1 4.19Å; K127-L130 WeakPolarHBondContact O-CB 3.37Å; K127-L130 PolarHBondContact O-N 3.1Å; S128-L130 PolarHBondContact O-N 3.09Å; L130-D132 PolarHBondContact O-N 3.37Å; L130-D132 VanDerWaalsContact O-N 3.11Å; L130-A136 HydrophobicContact CB-CB 4.33Å; L130-A136 HydrophobicContact CD1-CB 3.96Å
131K86.2Confident91.1Very high214 Ų21463.1 Ų63.193%0.9334%0.344SS*.SBendtrans-63.3-13.7176.2-62.6-178.7-179.3177.60114.2T129T129-K131 PolarHBondContact O-N 3.38Å
132D90.1Very high91Very high36 Ų3666 Ų6619%0.19336%0.362CS..  trans-108.495.6177.9-172.5-17.5000110.6L130 K134 R135 A136L130-D132 PolarHBondContact O-N 3.37Å; L130-D132 VanDerWaalsContact O-N 3.11Å; D132-K134 PolarHBondContact O-N 3.4Å; D132-K134 WeakPolarHBondContact OD1-CB 3.49Å; D132-K134 PolarHBondContact OD1-N 3.29Å; D132-R135 HydrophobicContact CB-CB 4.23Å; D132-R135 HydrophobicContact CB-CG 4.24Å; D132-R135 PolarHBondContact O-N 3.11Å; D132-R135 VanDerWaalsContact O-N 3.11Å; D132-R135 PolarHBondContact OD1-N 3.35Å; D132-R135 WeakPolarHBondContact OD2-CD 3.24Å; D132-R135 VanDerWaalsContact OD2-CG 3.27Å; D132-R135 WeakPolarHBondContact OD2-CG 3.39Å; D132-A136 PolarHBondContact O-N 3.11Å; D132-A136 VanDerWaalsContact O-N 3.11Å
133W92.4Very high91Very high20 Ų2068.8 Ų68.88%0.07638%0.375CS..Hα-helixtrans-61.5-28.5178.967.9-88.4000113F99 P102 I104 P118 V122 R135 A136 I137 L144 F155F99-W133 AromaticContact CE2-CH2 3.81Å; F99-W133 HydrophobicContact CE2-CH2 3.81Å; F99-W133 HydrophobicContact CE2-CZ3 4.12Å; F99-W133 HydrophobicContact CZ-CH2 4.08Å; F99-W133 HydrophobicContact CZ-CZ3 4.48Å; P102-W133 WeakPolarHBondContact O-CZ2 3.46Å; I104-W133 HydrophobicContact CB-CZ2 4.27Å; I104-W133 HydrophobicContact CG1-CG 4.29Å; P118-W133 HydrophobicContact CB-CD2 4.12Å; P118-W133 HydrophobicContact CB-CE3 3.42Å; P118-W133 VanDerWaalsContact CB-CE3 3.42Å; P118-W133 HydrophobicContact CB-CH2 4.45Å; P118-W133 HydrophobicContact CB-CZ3 3.61Å; P118-W133 HydrophobicContact CG-CE3 4.24Å; P118-W133 HydrophobicContact CG-CH2 4.46Å; P118-W133 HydrophobicContact CG-CZ3 3.92Å; V122-W133 HydrophobicContact CG2-CB 4.14Å; W133-R135 VanDerWaalsContact C-N 3.28Å; W133-R135 PolarHBondContact O-N 3.44Å; W133-A136 PolarHBondContact O-N 3.27Å; W133-I137 HydrophobicContact CE3-CD1 4.06Å; W133-I137 WeakPolarHBondContact O-CG1 3.47Å; W133-I137 PolarHBondContact O-N 2.99Å; W133-I137 VanDerWaalsContact O-N 3.09Å; W133-L144 HydrophobicContact CZ3-CD2 3.89Å; W133-F155 HydrophobicContact CH2-CE1 4.44Å
134K93.1Very high91Very high10 Ų1065.7 Ų65.74%0.04335%0.354CS..Hα-helixtrans-72.9-21.9177.9-59.1-175.4167.2-167.90112.3D132 L144 R145 M148 C166D132-K134 PolarHBondContact O-N 3.4Å; D132-K134 WeakPolarHBondContact OD1-CB 3.49Å; D132-K134 PolarHBondContact OD1-N 3.29Å; K134-L144 PolarHBondContact O-N 3.49Å; K134-R145 HydrophobicContact CB-CB 3.79Å; K134-R145 HydrophobicContact CB-CG 4.47Å; K134-R145 WeakPolarHBondContact O-CB 3.44Å; K134-R145 PolarHBondContact O-N 3.15Å; K134-M148 HydrophobicContact CD-SD 3.99Å; K134-C166 PolarHBondContact NZ-O 3.11Å
135R92.9Very high91.1Very high142 Ų14261.8 Ų61.854%0.53633%0.331SS..Hα-helixtrans-90.4-26.7172.4-66.4178.977.6-143.34.4112.7D132 W133 R145D132-R135 HydrophobicContact CB-CB 4.23Å; D132-R135 HydrophobicContact CB-CG 4.24Å; D132-R135 PolarHBondContact O-N 3.11Å; D132-R135 VanDerWaalsContact O-N 3.11Å; D132-R135 PolarHBondContact OD1-N 3.35Å; D132-R135 WeakPolarHBondContact OD2-CD 3.24Å; D132-R135 VanDerWaalsContact OD2-CG 3.27Å; D132-R135 WeakPolarHBondContact OD2-CG 3.39Å; W133-R135 VanDerWaalsContact C-N 3.28Å; W133-R135 PolarHBondContact O-N 3.44Å; R135-R145 HydrophobicContact CG-CB 4.14Å; R135-R145 HydrophobicContact CG-CG 4.47Å
136A94Very high91.1Very high3 Ų367.3 Ų67.33%0.02535%0.351CS..Hα-helixtrans-70.7-42175.500000112.3V122 K127 L130 D132 W133V122-A136 HydrophobicContact CG1-CB 3.85Å; V122-A136 HydrophobicContact CG2-CB 3.76Å; K127-A136 HydrophobicContact CB-CB 4.37Å; L130-A136 HydrophobicContact CB-CB 4.33Å; L130-A136 HydrophobicContact CD1-CB 3.96Å; D132-A136 PolarHBondContact O-N 3.11Å; D132-A136 VanDerWaalsContact O-N 3.11Å; W133-A136 PolarHBondContact O-N 3.27Å
137I95Very high91.3Very high1 Ų164.9 Ų64.91%0.00533%0.325CS..  trans-79.9139.2177.3-59.9178.2000110.8I85 T86 P118 F121 V122 W133 L144I85-I137 HydrophobicContact CB-CG2 3.9Å; I85-I137 HydrophobicContact CD1-CD1 4.46Å; I85-I137 HydrophobicContact CD1-CG2 3.8Å; I85-I137 HydrophobicContact CG1-CG2 4.43Å; I85-I137 HydrophobicContact CG2-CG2 4.2Å; T86-I137 WeakPolarHBondContact O-CA 3.28Å; P118-I137 HydrophobicContact CB-CD1 3.83Å; F121-I137 HydrophobicContact CD1-CD1 3.95Å; F121-I137 HydrophobicContact CD1-CG1 4.07Å; F121-I137 HydrophobicContact CE1-CG1 4.32Å; V122-I137 HydrophobicContact CG2-CD1 4.09Å; V122-I137 HydrophobicContact CG2-CG1 3.72Å; W133-I137 HydrophobicContact CE3-CD1 4.06Å; W133-I137 WeakPolarHBondContact O-CG1 3.47Å; W133-I137 PolarHBondContact O-N 2.99Å; W133-I137 VanDerWaalsContact O-N 3.09Å; I137-L144 HydrophobicContact CB-CB 4.32Å; I137-L144 HydrophobicContact CB-CD2 4.32Å; I137-L144 HydrophobicContact CG2-CB 4.28Å; I137-L144 HydrophobicContact CG2-CD2 4.14Å; I137-L144 PolarHBondContact O-N 2.82Å
138R95Very high91.4Very high105 Ų10562.3 Ų62.340%0.39631%0.314SS..EExtended strand (participates in β ladder)trans-126.4142.9176.1-66.7171.2178.5-90.3-0.6110.5I85 T86 G141 T142I85-R138 CarbonylContact C-O 3.52Å; I85-R138 VanDerWaalsContact CA-O 3.26Å; I85-R138 WeakPolarHBondContact CA-O 3.45Å; T86-R138 PolarHBondContact N-O 3.43Å; T86-R138 PolarHBondContact O-N 3.06Å; R138-G141 WeakPolarHBondContact CD-O 3.31Å; R138-G141 PolarHBondContact NH1-O 3.02Å; R138-T142 CarbonylContact C-O 3.45Å; R138-T142 WeakPolarHBondContact CA-O 3.47Å; R138-T142 WeakPolarHBondContact CB-O 3.37Å
139L94.3Very high91.6Very high11 Ų1163.7 Ų63.76%0.05832%0.316CS..EExtended strand (participates in β ladder)trans-119.8124.8172.7-167.3179.7000105.6Y83 I85 G141 T142 I147 L153Y83-L139 HydrophobicContact CD1-CD1 3.96Å; Y83-L139 HydrophobicContact CG-CD1 4.03Å; I85-L139 HydrophobicContact CG2-CB 4.09Å; I85-L139 HydrophobicContact CG2-CG 4.08Å; L139-G141 PolarHBondContact O-N 3.48Å; L139-G141 VanDerWaalsContact O-N 3.1Å; L139-T142 PolarHBondContact N-O 2.72Å; L139-T142 PolarHBondContact O-N 3.27Å; L139-I147 HydrophobicContact CB-CD1 3.6Å; L139-I147 HydrophobicContact CD1-CD1 4.19Å; L139-I147 HydrophobicContact CG-CD1 4.37Å; L139-L153 HydrophobicContact CD1-CD1 3.49Å; L139-L153 VanDerWaalsContact CD1-CD1 3.49Å
140N90.8Very high91.9Very high131 Ų13161.7 Ų61.770%0.70131%0.307SS*.THydrogen-bonded Turntrans49.137.5-172.7-59.9-18.3000113.4T142N140-T142 PolarHBondContact O-N 3.45Å
141G90.4Very high92Very high42 Ų4260.6 Ų60.643%0.43332%0.315SS..THydrogen-bonded Turntrans81.3-21.4-177.600000115.6R138 L139R138-G141 WeakPolarHBondContact CD-O 3.31Å; R138-G141 PolarHBondContact NH1-O 3.02Å; L139-G141 PolarHBondContact O-N 3.48Å; L139-G141 VanDerWaalsContact O-N 3.1Å
142T93.6Very high92.1Very high60 Ų6057.4 Ų57.437%0.36830%0.303SS..EExtended strand (participates in β ladder)trans-79.3137.2178.1-630000110.9R138 L139 N140 L144 K146 I147R138-T142 CarbonylContact C-O 3.45Å; R138-T142 WeakPolarHBondContact CA-O 3.47Å; R138-T142 WeakPolarHBondContact CB-O 3.37Å; L139-T142 PolarHBondContact N-O 2.72Å; L139-T142 PolarHBondContact O-N 3.27Å; N140-T142 PolarHBondContact O-N 3.45Å; T142-L144 PolarHBondContact O-N 3.4Å; T142-K146 HydrophobicContact CG2-CB 4.14Å; T142-K146 HydrophobicContact CG2-CD 4.04Å; T142-K146 HydrophobicContact CG2-CG 4.41Å; T142-I147 HydrophobicContact CG2-CD1 4.1Å; T142-I147 HydrophobicContact CG2-CG1 3.67Å
143M93.8Very high92.1Very high64 Ų6456 Ų5632%0.31530%0.296SS..EExtended strand (participates in β ladder)trans-58.6128.9177-69.1173.3-7600110.5R145 K146 I147M143-R145 PolarHBondContact O-N 3.32Å; M143-R145 VanDerWaalsContact O-N 3.12Å; M143-K146 WeakPolarHBondContact O-CB 3.33Å; M143-K146 PolarHBondContact O-N 3.21Å; M143-I147 PolarHBondContact O-N 3.3Å
144L93.8Very high92.1Very high1 Ų157.7 Ų57.71%0.00531%0.306CS..Hα-helixtrans-52.7-40.3-178.2179.764.4000111.2F99 W133 K134 I137 T142 K146 I147 M148 L153F99-L144 HydrophobicContact CZ-CD2 4.39Å; W133-L144 HydrophobicContact CZ3-CD2 3.89Å; K134-L144 PolarHBondContact O-N 3.49Å; I137-L144 HydrophobicContact CB-CB 4.32Å; I137-L144 HydrophobicContact CB-CD2 4.32Å; I137-L144 HydrophobicContact CG2-CB 4.28Å; I137-L144 HydrophobicContact CG2-CD2 4.14Å; I137-L144 PolarHBondContact O-N 2.82Å; T142-L144 PolarHBondContact O-N 3.4Å; L144-K146 VanDerWaalsContact C-N 3.29Å; L144-K146 PolarHBondContact O-N 2.89Å; L144-I147 PolarHBondContact O-N 2.87Å; L144-I147 VanDerWaalsContact O-N 3.1Å; L144-M148 HydrophobicContact CD1-CG 4.39Å; L144-M148 HydrophobicContact CG-CG 4.31Å; L144-M148 HydrophobicContact CG-SD 4.35Å; L144-M148 WeakPolarHBondContact O-CG 3.43Å; L144-M148 PolarHBondContact O-N 3.1Å; L144-L153 HydrophobicContact CD1-CD2 4.27Å
145R92.4Very high92.1Very high33 Ų3357.5 Ų57.513%0.12531%0.306CS..Hα-helixtrans-51.1-43.8174.4-175.763.2-160.7-92.6-5.5113.4K134 R135 M143 M148 D149 T169K134-R145 HydrophobicContact CB-CB 3.79Å; K134-R145 HydrophobicContact CB-CG 4.47Å; K134-R145 WeakPolarHBondContact O-CB 3.44Å; K134-R145 PolarHBondContact O-N 3.15Å; R135-R145 HydrophobicContact CG-CB 4.14Å; R135-R145 HydrophobicContact CG-CG 4.47Å; M143-R145 PolarHBondContact O-N 3.32Å; M143-R145 VanDerWaalsContact O-N 3.12Å; R145-M148 PolarHBondContact O-N 3.37Å; R145-D149 WeakPolarHBondContact CG-OD2 3.2Å; R145-D149 IonicContact CZ-OD1 3.55Å; R145-D149 IonicContact CZ-OD2 3.52Å; R145-D149 VanDerWaalsContact NE-CG 3.3Å; R145-D149 IonicContact NE-OD1 2.66Å; R145-D149 PolarHBondContact NE-OD1 2.95Å; R145-D149 IonicContact NE-OD2 3.54Å; R145-D149 PolarHBondContact NE-OD2 2.99Å; R145-D149 IonicContact NH2-OD1 3.29Å; R145-D149 PolarHBondContact NH2-OD1 3.08Å; R145-D149 IonicContact NH2-OD2 3.43Å; R145-D149 PolarHBondContact NH2-OD2 3.23Å; R145-D149 WeakPolarHBondContact O-CB 3.37Å; R145-D149 PolarHBondContact O-N 3.18Å; R145-T169 PolarHBondContact NH2-OG1 3.14Å
146K92.8Very high92.1Very high136 Ų13653.1 Ų53.159%0.59129%0.29SS*.Hα-helixtrans-67.6-37.1-179-173.8-178.2176.8-171.40111.7T142 M143 L144 D149 S150T142-K146 HydrophobicContact CG2-CB 4.14Å; T142-K146 HydrophobicContact CG2-CD 4.04Å; T142-K146 HydrophobicContact CG2-CG 4.41Å; M143-K146 WeakPolarHBondContact O-CB 3.33Å; M143-K146 PolarHBondContact O-N 3.21Å; L144-K146 VanDerWaalsContact C-N 3.29Å; L144-K146 PolarHBondContact O-N 2.89Å; K146-D149 PolarHBondContact O-N 2.8Å; K146-S150 WeakPolarHBondContact O-CB 3.22Å; K146-S150 PolarHBondContact O-N 2.76Å; K146-S150 PolarHBondContact O-OG 2.88Å
147I92.9Very high91.8Very high6 Ų657.5 Ų57.53%0.03131%0.309CS..Hα-helixtrans-70.4-38.8178.9-51.9175000110.3L139 T142 M143 L144 S150 G151 E152 L153L139-I147 HydrophobicContact CB-CD1 3.6Å; L139-I147 HydrophobicContact CD1-CD1 4.19Å; L139-I147 HydrophobicContact CG-CD1 4.37Å; T142-I147 HydrophobicContact CG2-CD1 4.1Å; T142-I147 HydrophobicContact CG2-CG1 3.67Å; M143-I147 PolarHBondContact O-N 3.3Å; L144-I147 PolarHBondContact O-N 2.87Å; L144-I147 VanDerWaalsContact O-N 3.1Å; I147-S150 WeakPolarHBondContact CA-OG 3.41Å; I147-S150 PolarHBondContact O-N 2.83Å; I147-S150 PolarHBondContact O-OG 2.91Å; I147-G151 PolarHBondContact O-N 3.31Å; I147-E152 HydrophobicContact CG2-CB 3.78Å; I147-E152 HydrophobicContact CG2-CG 4.04Å; I147-E152 PolarHBondContact O-N 3.36Å; I147-L153 HydrophobicContact CG2-CB 3.7Å
148M92.3Very high91.6Very high18 Ų1858.6 Ų58.69%0.08932%0.315CS..Hα-helixtrans-67.3-42.6172.2-60.2-168.683.100112.4F99 K134 L144 R145 S150 G151 L153 F155F99-M148 HydrophobicContact CE1-CE 3.74Å; F99-M148 HydrophobicContact CE1-SD 4.35Å; F99-M148 HydrophobicContact CZ-CE 3.88Å; F99-M148 HydrophobicContact CZ-SD 4.06Å; K134-M148 HydrophobicContact CD-SD 3.99Å; L144-M148 HydrophobicContact CD1-CG 4.39Å; L144-M148 HydrophobicContact CG-CG 4.31Å; L144-M148 HydrophobicContact CG-SD 4.35Å; L144-M148 WeakPolarHBondContact O-CG 3.43Å; L144-M148 PolarHBondContact O-N 3.1Å; R145-M148 PolarHBondContact O-N 3.37Å; M148-S150 VanDerWaalsContact C-N 3.25Å; M148-S150 PolarHBondContact O-N 2.8Å; M148-G151 PolarHBondContact O-N 2.91Å; M148-L153 VanDerWaalsContact CA-O 3.26Å; M148-L153 WeakPolarHBondContact CA-O 3.47Å; M148-L153 WeakPolarHBondContact CG-O 3.5Å; M148-F155 HydrophobicContact CE-CD1 4.11Å; M148-F155 HydrophobicContact CE-CD2 3.61Å; M148-F155 HydrophobicContact CE-CE1 3.91Å; M148-F155 HydrophobicContact CE-CE2 3.39Å; M148-F155 HydrophobicContact CE-CG 4Å; M148-F155 HydrophobicContact CE-CZ 3.58Å
149D90.2Very high91.2Very high102 Ų10257.8 Ų57.855%0.54534%0.339SS..Hα-helixtrans-69.9-22.1178.4-65.4-23.8000111.9R145 K146R145-D149 WeakPolarHBondContact CG-OD2 3.2Å; R145-D149 IonicContact CZ-OD1 3.55Å; R145-D149 IonicContact CZ-OD2 3.52Å; R145-D149 VanDerWaalsContact NE-CG 3.3Å; R145-D149 IonicContact NE-OD1 2.66Å; R145-D149 PolarHBondContact NE-OD1 2.95Å; R145-D149 IonicContact NE-OD2 3.54Å; R145-D149 PolarHBondContact NE-OD2 2.99Å; R145-D149 IonicContact NH2-OD1 3.29Å; R145-D149 PolarHBondContact NH2-OD1 3.08Å; R145-D149 IonicContact NH2-OD2 3.43Å; R145-D149 PolarHBondContact NH2-OD2 3.23Å; R145-D149 WeakPolarHBondContact O-CB 3.37Å; R145-D149 PolarHBondContact O-N 3.18Å; K146-D149 PolarHBondContact O-N 2.8Å
150S89.6Confident90.9Very high79 Ų7964.9 Ų64.955%0.55237%0.369SS*.THydrogen-bonded Turntrans-88.4-9.117365.30000114.9K146 I147 M148 E152K146-S150 WeakPolarHBondContact O-CB 3.22Å; K146-S150 PolarHBondContact O-N 2.76Å; K146-S150 PolarHBondContact O-OG 2.88Å; I147-S150 WeakPolarHBondContact CA-OG 3.41Å; I147-S150 PolarHBondContact O-N 2.83Å; I147-S150 PolarHBondContact O-OG 2.91Å; M148-S150 VanDerWaalsContact C-N 3.25Å; M148-S150 PolarHBondContact O-N 2.8Å; S150-E152 VanDerWaalsContact C-N 3.29Å; S150-E152 PolarHBondContact O-N 2.79Å
151G85.6Confident90.6Very high58 Ų5861.6 Ų61.660%0.59835%0.354SS*.THydrogen-bonded Turntrans77.64.4-178.900000115.7I147 M148 L153I147-G151 PolarHBondContact O-N 3.31Å; M148-G151 PolarHBondContact O-N 2.91Å; G151-L153 VanDerWaalsContact C-N 3.33Å
152E88.4Confident90.6Very high147 Ų14762 Ų6269%0.68735%0.35SS*.SBendtrans-69.3-31.8178.1179.1-174.7173.500112I147 S150I147-E152 HydrophobicContact CG2-CB 3.78Å; I147-E152 HydrophobicContact CG2-CG 4.04Å; I147-E152 PolarHBondContact O-N 3.36Å; S150-E152 VanDerWaalsContact C-N 3.29Å; S150-E152 PolarHBondContact O-N 2.79Å
153L90.6Very high90.2Very high6 Ų661.3 Ų61.33%0.03135%0.347CS..SBendtrans-143.7116.6171.9-176.2163.4000109.2Y83 L94 F99 L139 L144 I147 M148 G151Y83-L153 HydrophobicContact CD1-CD1 3.99Å; Y83-L153 HydrophobicContact CD2-CD1 3.51Å; Y83-L153 HydrophobicContact CE1-CD1 4.07Å; Y83-L153 HydrophobicContact CE2-CD1 3.6Å; Y83-L153 HydrophobicContact CE2-CG 4.23Å; Y83-L153 HydrophobicContact CG-CD1 3.71Å; L94-L153 HydrophobicContact CD2-CD1 4.39Å; F99-L153 HydrophobicContact CD1-CD2 3.98Å; F99-L153 HydrophobicContact CE1-CD2 3.66Å; L139-L153 HydrophobicContact CD1-CD1 3.49Å; L139-L153 VanDerWaalsContact CD1-CD1 3.49Å; L144-L153 HydrophobicContact CD1-CD2 4.27Å; I147-L153 HydrophobicContact CG2-CB 3.7Å; M148-L153 VanDerWaalsContact CA-O 3.26Å; M148-L153 WeakPolarHBondContact CA-O 3.47Å; M148-L153 WeakPolarHBondContact CG-O 3.5Å; G151-L153 VanDerWaalsContact C-N 3.33Å
154D91.9Very high89.8Confident56 Ų5664.7 Ų64.730%0.29937%0.366SS..  trans-116.1175.2172.2-158.52000111.2W96 H158W96-D154 PolarHBondContact NE1-O 2.87Å; D154-H158 IonicContact OD1-CE1 3.25Å; D154-H158 IonicContact OD1-CG 3.7Å; D154-H158 IonicContact OD1-ND1 2.74Å; D154-H158 PolarHBondContact OD1-ND1 2.87Å; D154-H158 IonicContact OD2-CE1 2.92Å; D154-H158 IonicContact OD2-CG 3.65Å; D154-H158 IonicContact OD2-ND1 2.89Å; D154-H158 PolarHBondContact OD2-ND1 2.87Å
155F93.6Very high89.4Confident6 Ų669.5 Ų69.53%0.02640%0.396CS..  trans-59.2144.1173.2-58.2-77000111.4F99 C101 P102 W133 M148 Q157 H158 C166F99-F155 AromaticContact CD1-CD1 3.85Å; F99-F155 HydrophobicContact CD1-CD1 3.85Å; F99-F155 HydrophobicContact CD1-CG 4.49Å; F99-F155 HydrophobicContact CD2-CD1 4.24Å; F99-F155 HydrophobicContact CD2-CE1 4.46Å; F99-F155 AromaticContact CE1-CD1 3.56Å; F99-F155 HydrophobicContact CE1-CD1 3.56Å; F99-F155 AromaticContact CE1-CE1 3.93Å; F99-F155 HydrophobicContact CE1-CE1 3.93Å; F99-F155 HydrophobicContact CE1-CG 4.21Å; F99-F155 AromaticContact CE2-CD1 3.99Å; F99-F155 HydrophobicContact CE2-CD1 3.99Å; F99-F155 AromaticContact CE2-CE1 3.83Å; F99-F155 HydrophobicContact CE2-CE1 3.83Å; F99-F155 HydrophobicContact CG-CD1 4.19Å; F99-F155 AromaticContact CZ-CD1 3.64Å; F99-F155 HydrophobicContact CZ-CD1 3.64Å; F99-F155 AromaticContact CZ-CE1 3.53Å; F99-F155 HydrophobicContact CZ-CE1 3.53Å; F99-F155 HydrophobicContact CZ-CZ 4.44Å; F99-F155 CarbonylContact O-C 3.58Å; F99-F155 VanDerWaalsContact O-CA 3.24Å; F99-F155 WeakPolarHBondContact O-CA 3.46Å; F99-F155 WeakPolarHBondContact O-CB 3.26Å; C101-F155 HydrophobicContact CB-CB 4.03Å; C101-F155 HydrophobicContact CB-CD1 4.25Å; C101-F155 HydrophobicContact CB-CD2 3.79Å; C101-F155 HydrophobicContact CB-CE2 4.23Å; C101-F155 HydrophobicContact CB-CG 3.78Å; P102-F155 VanDerWaalsContact C-CE1 3.49Å; P102-F155 WeakPolarHBondContact O-CE1 3.48Å; P102-F155 WeakPolarHBondContact O-CZ 3.42Å; W133-F155 HydrophobicContact CH2-CE1 4.44Å; M148-F155 HydrophobicContact CE-CD1 4.11Å; M148-F155 HydrophobicContact CE-CD2 3.61Å; M148-F155 HydrophobicContact CE-CE1 3.91Å; M148-F155 HydrophobicContact CE-CE2 3.39Å; M148-F155 HydrophobicContact CE-CG 4Å; M148-F155 HydrophobicContact CE-CZ 3.58Å; F155-Q157 PolarHBondContact O-N 3.12Å; F155-H158 HydrophobicContact CB-CB 4Å; F155-H158 AromaticContact CD2-CD2 3.88Å; F155-H158 AromaticContact CD2-CE1 3.74Å; F155-H158 AromaticContact CD2-CG 3.96Å; F155-H158 AromaticContact CD2-ND1 3.88Å; F155-H158 AromaticContact CD2-NE2 3.72Å; F155-H158 WeakPolarHBondContact O-CB 3.4Å; F155-H158 PolarHBondContact O-N 3.21Å; F155-H158 VanDerWaalsContact O-N 3.12Å; F155-C166 HydrophobicContact CE2-CB 3.53Å; F155-C166 HydrophobicContact CZ-CB 3.86Å
156Y92.2Very high89Confident51 Ų5168.2 Ų68.220%0.239%0.392CS..THydrogen-bonded Turntrans-58.1124.9173.8-175.5-109.2000110.2W96 K97 F99 V100 H158W96-Y156 HydrophobicContact CE3-CD2 4.46Å; W96-Y156 HydrophobicContact CZ3-CD2 4.5Å; W96-Y156 WeakPolarHBondContact O-CB 3.36Å; K97-Y156 HydrophobicContact CG-CE2 4.23Å; K97-Y156 WeakPolarHBondContact O-CD1 3.44Å; F99-Y156 PolarHBondContact O-N 2.86Å; V100-Y156 HydrophobicContact CG2-CD1 4.49Å; Y156-H158 VanDerWaalsContact C-N 3.28Å; Y156-H158 PolarHBondContact O-N 3.09Å
157Q89.5Confident88.5Confident94 Ų9469.6 Ų69.644%0.43939%0.394SS..THydrogen-bonded Turntrans54.232.9-176.4-55.9-177.6800115F155 G159 K160 V161F155-Q157 PolarHBondContact O-N 3.12Å; Q157-G159 VanDerWaalsContact C-N 3.26Å; Q157-G159 PolarHBondContact O-N 3.5Å; Q157-G159 VanDerWaalsContact O-N 3.09Å; Q157-K160 PolarHBondContact O-N 3.23Å; Q157-V161 PolarHBondContact O-N 3.33Å
158H90.6Very high86.9Confident25 Ų2573 Ų7312%0.11642%0.418CS..THydrogen-bonded Turntrans-51.7-38.3-174.7-165.3-166.5000114.8D154 F155 Y156 K160 V161 C162 C166D154-H158 IonicContact OD1-CE1 3.25Å; D154-H158 IonicContact OD1-CG 3.7Å; D154-H158 IonicContact OD1-ND1 2.74Å; D154-H158 PolarHBondContact OD1-ND1 2.87Å; D154-H158 IonicContact OD2-CE1 2.92Å; D154-H158 IonicContact OD2-CG 3.65Å; D154-H158 IonicContact OD2-ND1 2.89Å; D154-H158 PolarHBondContact OD2-ND1 2.87Å; F155-H158 HydrophobicContact CB-CB 4Å; F155-H158 AromaticContact CD2-CD2 3.88Å; F155-H158 AromaticContact CD2-CE1 3.74Å; F155-H158 AromaticContact CD2-CG 3.96Å; F155-H158 AromaticContact CD2-ND1 3.88Å; F155-H158 AromaticContact CD2-NE2 3.72Å; F155-H158 WeakPolarHBondContact O-CB 3.4Å; F155-H158 PolarHBondContact O-N 3.21Å; F155-H158 VanDerWaalsContact O-N 3.12Å; Y156-H158 VanDerWaalsContact C-N 3.28Å; Y156-H158 PolarHBondContact O-N 3.09Å; H158-K160 PolarHBondContact O-N 3.28Å; H158-V161 CarbonylContact O-C 3.58Å; H158-V161 PolarHBondContact O-N 2.88Å; H158-C162 PolarHBondContact NE2-SG 3.19Å; H158-C162 WeakPolarHBondContact O-CB 3.46Å; H158-C166 PolarHBondContact NE2-SG 2.89Å
159G86.3Confident84.9Confident88 Ų8875.7 Ų75.791%0.90744%0.435SS*.THydrogen-bonded Turntrans-66.9-19.7177.400000115Q157Q157-G159 VanDerWaalsContact C-N 3.26Å; Q157-G159 PolarHBondContact O-N 3.5Å; Q157-G159 VanDerWaalsContact O-N 3.09Å
160K86.8Confident82.5Confident159 Ų15979.1 Ų79.169%0.69145%0.445SS*.THydrogen-bonded Turntrans-101.7-32.6175-63.2-178.6179.3-178.20112.2Q157 H158Q157-K160 PolarHBondContact O-N 3.23Å; H158-K160 PolarHBondContact O-N 3.28Å
161V85.2Confident80.6Confident62 Ų6280.2 Ų80.238%0.37644%0.444SS..SBendtrans-127.284.8-175.6-171.50000109.2V100 C101 Q157 H158V100-V161 HydrophobicContact CG1-CB 4.34Å; V100-V161 HydrophobicContact CG1-CG1 3.72Å; C101-V161 VanDerWaalsContact CB-O 3.31Å; C101-V161 WeakPolarHBondContact CB-O 3.38Å; Q157-V161 PolarHBondContact O-N 3.33Å; H158-V161 CarbonylContact O-C 3.58Å; H158-V161 PolarHBondContact O-N 2.88Å
162C90.9Very high78.3Confident52 Ų5282.8 Ų82.835%0.35144%0.444SS..  trans-116.3130.6173.4-173.50000111.2H158 N164H158-C162 PolarHBondContact NE2-SG 3.19Å; H158-C162 WeakPolarHBondContact O-CB 3.46Å; C162-N164 VanDerWaalsContact C-N 3.34Å; C162-N164 PolarHBondContact SG-N 2.84Å; C162-N164 PolarHBondContact SG-OD1 3.48Å; C162-N164 VanDerWaalsContact SG-OD1 3.4Å
163S85.3Confident76.2Confident45 Ų4583.7 Ų83.732%0.31545%0.452SS..  trans-87.4-0175.763.80000114C101 P102 T165C101-S163 PolarHBondContact SG-N 2.97Å; C101-S163 PolarHBondContact SG-OG 3.19Å; P102-S163 WeakPolarHBondContact CB-OG 3.42Å; P102-S163 WeakPolarHBondContact CD-OG 3.37Å; S163-T165 PolarHBondContact O-N 3.32Å; S163-T165 PolarHBondContact O-OG1 3.01Å; S163-T165 PolarHBondContact OG-OG1 2.66Å
164N84.4Confident74.2Confident134 Ų13489.9 Ų89.972%0.71749%0.491SS*.SBendtrans53.93.9-174.6-63.9-38.6000116.5C162C162-N164 VanDerWaalsContact C-N 3.34Å; C162-N164 PolarHBondContact SG-N 2.84Å; C162-N164 PolarHBondContact SG-OD1 3.48Å; C162-N164 VanDerWaalsContact SG-OD1 3.4Å
165T85.4Confident72Confident102 Ų10290.6 Ų90.663%0.62651%0.511SS*.  trans-107.51.3178.2550000112.7S163S163-T165 PolarHBondContact O-N 3.32Å; S163-T165 PolarHBondContact O-OG1 3.01Å; S163-T165 PolarHBondContact OG-OG1 2.66Å
166C84.5Confident69.3Low6 Ų696.6 Ų96.64%0.04155%0.548CS..  trans-78.2-19.2-17666.70000115.1C101 P102 K134 F155 H158 S168C101-C166 WeakPolarHBondContact SG-CB 2.94Å; C101-C166 VanDerWaalsContact SG-SG 3.63Å; P102-C166 HydrophobicContact CB-CB 4.25Å; K134-C166 PolarHBondContact NZ-O 3.11Å; F155-C166 HydrophobicContact CE2-CB 3.53Å; F155-C166 HydrophobicContact CZ-CB 3.86Å; H158-C166 PolarHBondContact NE2-SG 2.89Å; C166-S168 PolarHBondContact O-N 3.3Å
167R82.1Confident66.8Low166 Ų166104.2 Ų104.263%0.62658%0.582SS**  trans-94.890177.5-69-167.6175.4-141.2-2.8109.2T169R167-T169 PolarHBondContact O-N 3.08Å; R167-T169 VanDerWaalsContact O-N 3.09Å
168S60.1Low64.1Low78 Ų78105.4 Ų105.455%0.54560%0.596SS.*  trans-77.213.5-173.1-460000115C166C166-S168 PolarHBondContact O-N 3.3Å
169T48.9Very low61.3Low73 Ų73108 Ų10845%0.44862%0.617SS.*SBendtrans-133.4129.9172.149.10000108.3R145 R167 I171R145-T169 PolarHBondContact NH2-OG1 3.14Å; R167-T169 PolarHBondContact O-N 3.08Å; R167-T169 VanDerWaalsContact O-N 3.09Å; T169-I171 PolarHBondContact O-N 3.38Å
170K40.9Very low58.7Low175 Ų175111.1 Ų111.176%0.76162%0.618SS**  trans-44121.9170.1-177.4-170.7179.7-133.60109.6D172K170-D172 IonicContact NZ-OD1 2.76Å; K170-D172 PolarHBondContact NZ-OD1 3.34Å; K170-D172 PolarHBondContact O-N 2.9Å
171I49.4Very low56.1Low101 Ų101108.6 Ų108.652%0.51862%0.62SS.*  trans-72.3111.1165.2-68.8166.9000105.5T169 L173T169-I171 PolarHBondContact O-N 3.38Å; I171-L173 HydrophobicContact CG2-CD1 4.07Å
172D36.5Very low53.6Low113 Ų113111.7 Ų111.760%0.60464%0.643SS**  trans-74.4128.2154.8-86-27.1000107.1K170 V174K170-D172 IonicContact NZ-OD1 2.76Å; K170-D172 PolarHBondContact NZ-OD1 3.34Å; K170-D172 PolarHBondContact O-N 2.9Å; D172-V174 PolarHBondContact O-N 3.33Å
173L45.1Very low50.9Low165 Ų165115.6 Ų115.686%0.86466%0.66SS**SBendtrans-81.235.4-168.6-150.374.3000112.5I171I171-L173 HydrophobicContact CG2-CD1 4.07Å
174V49.3Very low48.8Very low137 Ų137119.1 Ų119.183%0.8368%0.682SS**  trans-140.6117.7-176.3-179.30000110.1D172D172-V174 PolarHBondContact O-N 3.33Å
175G44.2Very low47.2Very low70 Ų70118.1 Ų118.172%0.72268%0.683SS**  trans102.660.4153.700000118.7
176T36.7Very low44.6Very low132 Ų132117.6 Ų117.681%0.8169%0.689SS**  trans-136.754.9151.8-41.60000112.1V178T176-V178 VanDerWaalsContact C-N 3.29Å; T176-V178 HydrophobicContact CG2-CG2 3.84Å; T176-V178 PolarHBondContact O-N 3.2Å
177K40.9Very low42Very low211 Ų211124 Ų12492%0.91772%0.723SS**  trans-8281.3158.3-165.1-174.3-173.1-1730108S179K177-S179 PolarHBondContact O-N 3.16Å
178V33.6Very low39.7Very low119 Ų119123 Ų12372%0.72173%0.729SS**  trans-71.1123.4171.1170.50000108.2T176T176-V178 VanDerWaalsContact C-N 3.29Å; T176-V178 HydrophobicContact CG2-CG2 3.84Å; T176-V178 PolarHBondContact O-N 3.2Å
179S30.9Very low38.4Very low80 Ų80127.3 Ų127.356%0.55975%0.746SS**  trans-61.4132.8-179.5162.40000111.7K177 S181K177-S179 PolarHBondContact O-N 3.16Å; S179-S181 WeakPolarHBondContact OG-CB 3.28Å; S179-S181 PolarHBondContact OG-N 3.05Å; S179-S181 PolarHBondContact OG-OG 3.49Å
180V32.6Very low37.5Very low153 Ų153129.5 Ų129.593%0.92776%0.764SS**  trans-113.278.1147.8-143.40000106.4
181S31.3Very low37Very low107 Ų107125.7 Ų125.775%0.74877%0.765SS**  trans-96.9107.7177.3-66.90000109.5S179S179-S181 WeakPolarHBondContact OG-CB 3.28Å; S179-S181 PolarHBondContact OG-N 3.05Å; S179-S181 PolarHBondContact OG-OG 3.49Å
182C32.8Very low36.1Very low127 Ų127126.1 Ų126.186%0.85878%0.777SS**  trans-106113.1158.3-152.40000106.4
183D33.5Very low35.8Very low133 Ų133125.7 Ų125.771%0.71179%0.789SS**  trans-71.7147.7174.6-133.4-55.5000109.3
184P41.4Very low35.1Very low119 Ų119122.5 Ų122.577%0.77378%0.78SS**  -141.7170.389.931.5-11.9000115.3
185P51.4Low34.4Very low113 Ų113121.1 Ų121.173%0.73478%0.777SS**  trans-107.5165.6-150.740.4-37.4000115.8
186A30.8Very low33.9Very low91 Ų91122.6 Ų122.675%0.75278%0.782SS**  trans-153.9124.715400000113.2
187D28.8Very low33.9Very low141 Ų141123.5 Ų123.575%0.75478%0.782SS**  trans42107.8151.6-65.4-49000123.3
188L34.3Very low33.8Very low144 Ų144122 Ų12275%0.75478%0.783SS**  38.5116.3111.7-56.7173.9000118.7
189L33.5Very low34Very low170 Ų170124.5 Ų124.589%0.8979%0.792SS**  177.3152.994.7-88.8179.7000112.2
190S29.6Very low34.2Very low119 Ų119124.3 Ų124.383%0.83280%0.803SS**  trans-103.1144.9178.7-68.30000113.5
191A30Very low34.1Very low94 Ų94121.8 Ų121.878%0.77780%0.798SS**  trans-153.3104.3148.200000107.3
192S31Very low34.4Very low111 Ų111121.8 Ų121.878%0.77680%0.804SS**  62.8104.888-66.30000114.4
193A29.6Very low34.4Very low103 Ų103122.5 Ų122.585%0.85180%0.804SS**  41144.9120.600000119.3
194S32.1Very low34.4Very low98 Ų98121.1 Ų121.169%0.68581%0.805SS**  cis169.5147.7-0.71700000104.8
195S33.1Very low34.3Very low109 Ų109123 Ų12376%0.76281%0.808SS**  trans45.7116151.761.20000121.4
196A33.9Very low33.6Very low100 Ų100123.3 Ų123.383%0.82681%0.81SS**  -167146.3117.300000111.4
197D36.2Very low33.4Very low152 Ų152125.2 Ų125.281%0.81381%0.807SS**  trans-64161.1179.6-53.5-98.9000114.6
198L40.5Very low33.7Very low178 Ų178124 Ų12493%0.93281%0.805SS**  -166.1151.9119.9-79.5-155.1000111.2
199N37.5Very low33.8Very low173 Ų173122.7 Ų122.793%0.92580%0.803SS**  trans-77136.1-171.5-96.1-53.4000115.7
200G34.2Very low33.9Very low75 Ų75122.5 Ų122.577%0.77380%0.798SS**  80.892.3124.100000120.9
201A30.1Very low34.1Very low101 Ų101124.4 Ų124.484%0.83579%0.793SS**  trans-166.3150133.900000111.4
202A39.1Very low34.7Very low106 Ų106124 Ų12488%0.87678%0.783SS**  trans-46.7128.1-172.300000117.1
203V32.9Very low35.2Very low142 Ų142122.3 Ų122.386%0.86177%0.771SS**  trans-133.6144154.6175.90000108.4
204S33.7Very low35.8Very low104 Ų104125 Ų12573%0.72777%0.766SS**PPolyproline II helixtrans-57.5156-170-48.60000115.4P206S204-P206 WeakPolarHBondContact O-CD 3.12Å
205L38.2Very low36.2Very low159 Ų159128.3 Ų128.383%0.83276%0.764SS**PPolyproline II helixtrans-55.9130.3164.1-65.382.8000109.8
206P36Very low36.8Very low119 Ų119125.6 Ų125.677%0.77374%0.743SS**PPolyproline II helixtrans-74.1124.9142.631.3-25.7000108S204S204-P206 WeakPolarHBondContact O-CD 3.12Å
207D27.8Very low37.7Very low131 Ų131126.5 Ų126.570%0.70174%0.738SS**  trans-23.3131.5165.9-166.442.3000115.2T209D207-T209 PolarHBondContact O-N 3.01Å
208V35.3Very low38.3Very low116 Ų116124.7 Ų124.770%0.70373%0.733SS**  trans-71.589.9162.5170.80000106.2E210V208-E210 VanDerWaalsContact C-N 3.26Å; V208-E210 HydrophobicContact CG1-CG 3.96Å; V208-E210 PolarHBondContact O-N 3.42Å
209T36.8Very low39.1Very low117 Ų117119.5 Ų119.572%0.71871%0.705SS**  trans-68.195.2162.4-47.80000106.4D207 E211D207-T209 PolarHBondContact O-N 3.01Å; T209-E211 PolarHBondContact O-N 3.03Å
210E34.9Very low40.6Very low165 Ų165113.1 Ų113.177%0.77168%0.68SS**  trans-53.8126.2177-66.2-160141.700109.1V208 P212V208-E210 VanDerWaalsContact C-N 3.26Å; V208-E210 HydrophobicContact CG1-CG 3.96Å; V208-E210 PolarHBondContact O-N 3.42Å; E210-P212 WeakPolarHBondContact O-CD 3.23Å
211E33.9Very low42.6Very low159 Ų159117.3 Ų117.374%0.74368%0.68SS**  trans-56.2113.9176-172-179.5159.200107.7T209 S213T209-E211 PolarHBondContact O-N 3.03Å; E211-S213 PolarHBondContact O-N 2.97Å
212P41.6Very low44.9Very low87 Ų87119.1 Ų119.157%0.56568%0.675SS**  trans-63.2111.9-173.424.8-32.9000107.3E210 V216E210-P212 WeakPolarHBondContact O-CD 3.23Å; P212-V216 HydrophobicContact CB-CB 4.42Å; P212-V216 HydrophobicContact CB-CG1 4.48Å; P212-V216 HydrophobicContact CB-CG2 4.34Å
213S42.4Very low46.9Very low75 Ų75116.6 Ų116.652%0.52465%0.651SS.*  trans-57.8153.2-154.6-39.90000112.2E211 W215 V216E211-S213 PolarHBondContact O-N 2.97Å; S213-W215 PolarHBondContact O-N 3.11Å; S213-V216 PolarHBondContact O-N 3.03Å
214E40.8Very low49.2Very low160 Ų160112.9 Ų112.975%0.74863%0.628SS**THydrogen-bonded Turntrans-48.7-8.1-166-55.2171.1157.700117.9T217E214-T217 PolarHBondContact O-OG1 2.99Å
215W41Very low51.7Low167 Ų167112 Ų11263%0.63362%0.619SS**THydrogen-bonded Turntrans-72.2-37.1167.762.7-67.7000112.5S213 T217 T218 I219S213-W215 PolarHBondContact O-N 3.11Å; W215-T217 VanDerWaalsContact C-N 3.27Å; W215-T217 PolarHBondContact O-N 3.42Å; W215-T218 PolarHBondContact O-N 2.82Å; W215-T218 PolarHBondContact O-OG1 3.47Å; W215-I219 HydrophobicContact CE3-CD1 3.8Å; W215-I219 HydrophobicContact CZ3-CD1 4.12Å; W215-I219 PolarHBondContact O-N 3.41Å
216V45.9Very low54.1Low52 Ų52109.9 Ų109.932%0.31560%0.603SS.*THydrogen-bonded Turntrans-64.4-31-177.4-179.60000111.7P212 S213 T218 I219P212-V216 HydrophobicContact CB-CB 4.42Å; P212-V216 HydrophobicContact CB-CG1 4.48Å; P212-V216 HydrophobicContact CB-CG2 4.34Å; S213-V216 PolarHBondContact O-N 3.03Å; V216-T218 VanDerWaalsContact C-N 3.29Å; V216-T218 PolarHBondContact O-N 3.41Å; V216-I219 VanDerWaalsContact O-O 3.11Å
217T52Low56.5Low119 Ų119109.9 Ų109.973%0.7359%0.587SS**THydrogen-bonded Turntrans-78.4-7.6175.342.70000114.3E214 W215E214-T217 PolarHBondContact O-OG1 2.99Å; W215-T217 VanDerWaalsContact C-N 3.27Å; W215-T217 PolarHBondContact O-N 3.42Å
218T49.2Very low59.3Low114 Ų114110.7 Ų110.770%0.69958%0.581SS**THydrogen-bonded Turntrans-99-23.1171.8660000113.4W215 V216 G220W215-T218 PolarHBondContact O-N 2.82Å; W215-T218 PolarHBondContact O-OG1 3.47Å; V216-T218 VanDerWaalsContact C-N 3.29Å; V216-T218 PolarHBondContact O-N 3.41Å; T218-G220 PolarHBondContact O-N 3.06Å; T218-G220 VanDerWaalsContact O-N 3.16Å
219I57.7Low61.8Low68 Ų68107.6 Ų107.635%0.34957%0.568SS.*SBendtrans-75.899.2166.9-62.3172.2000106.3W215 V216 V224W215-I219 HydrophobicContact CE3-CD1 3.8Å; W215-I219 HydrophobicContact CZ3-CD1 4.12Å; W215-I219 PolarHBondContact O-N 3.41Å; V216-I219 VanDerWaalsContact O-O 3.11Å; I219-V224 HydrophobicContact CG2-CG2 4.05Å
220G68.6Low64.2Low39 Ų39103 Ų10340%0.40254%0.539SS..  trans-50.6144-177.300000112.1T218 D222 S223T218-G220 PolarHBondContact O-N 3.06Å; T218-G220 VanDerWaalsContact O-N 3.16Å; G220-D222 PolarHBondContact O-N 3.35Å; G220-S223 WeakPolarHBondContact O-CA 3.21Å; G220-S223 VanDerWaalsContact O-CB 3.28Å; G220-S223 WeakPolarHBondContact O-CB 3.27Å; G220-S223 PolarHBondContact O-N 2.95Å
221E76.3Confident66.7Low164 Ų164102.1 Ų102.177%0.76653%0.533SS*.Hα-helixtrans-54.1-34.5-171.8-166.5163.3-173.400112.4S223 V224 V225E221-S223 VanDerWaalsContact C-N 3.29Å; E221-S223 PolarHBondContact O-N 3.39Å; E221-V224 WeakPolarHBondContact O-CB 3.28Å; E221-V224 PolarHBondContact O-N 2.91Å; E221-V225 WeakPolarHBondContact O-CG2 3.26Å; E221-V225 PolarHBondContact O-N 3.45Å
222D78.1Confident69.3Low139 Ų139101.8 Ų101.874%0.74353%0.531SS*.Hα-helixtrans-56.1-35.9172.1-56.6-49.5000114G220 V225 F226G220-D222 PolarHBondContact O-N 3.35Å; D222-V225 PolarHBondContact O-N 3.4Å; D222-F226 WeakPolarHBondContact O-CB 3.41Å; D222-F226 PolarHBondContact O-N 2.89Å
223S82.6Confident71.6Confident53 Ų53100.7 Ų100.737%0.37153%0.53SS..Hα-helixtrans-71.2-35176.3-61.70000111.5G220 E221 F226 W227G220-S223 WeakPolarHBondContact O-CA 3.21Å; G220-S223 VanDerWaalsContact O-CB 3.28Å; G220-S223 WeakPolarHBondContact O-CB 3.27Å; G220-S223 PolarHBondContact O-N 2.95Å; E221-S223 VanDerWaalsContact C-N 3.29Å; E221-S223 PolarHBondContact O-N 3.39Å; S223-F226 PolarHBondContact O-N 3.42Å; S223-W227 PolarHBondContact O-N 3.15Å
224V80.4Confident73.8Confident63 Ų63100 Ų10038%0.38253%0.534SS..Hα-helixtrans-70.1-36.9174.6-174.20000110.4I219 E221 R228I219-V224 HydrophobicContact CG2-CG2 4.05Å; E221-V224 WeakPolarHBondContact O-CB 3.28Å; E221-V224 PolarHBondContact O-N 2.91Å; V224-R228 VanDerWaalsContact O-CB 3.26Å; V224-R228 WeakPolarHBondContact O-CB 3.46Å; V224-R228 PolarHBondContact O-N 3.07Å
225V86.3Confident76.1Confident86 Ų8696.3 Ų96.352%0.52152%0.519SS..Hα-helixtrans-66.1-41.7171.9175.40000111.3E221 D222 R228 A229E221-V225 WeakPolarHBondContact O-CG2 3.26Å; E221-V225 PolarHBondContact O-N 3.45Å; D222-V225 PolarHBondContact O-N 3.4Å; V225-R228 WeakPolarHBondContact O-CB 3.5Å; V225-R228 PolarHBondContact O-N 2.93Å; V225-A229 PolarHBondContact O-N 3.46Å
226F87.8Confident78.4Confident114 Ų11490.8 Ų90.850%0.550%0.502SS..Hα-helixtrans-58.9-54.4174.1169.6-97.8000112D222 S223 R228 A229 V230D222-F226 WeakPolarHBondContact O-CB 3.41Å; D222-F226 PolarHBondContact O-N 2.89Å; S223-F226 PolarHBondContact O-N 3.42Å; F226-R228 PolarHBondContact O-N 2.81Å; F226-A229 WeakPolarHBondContact O-CB 3.45Å; F226-A229 PolarHBondContact O-N 2.76Å; F226-V230 HydrophobicContact CD1-CG2 4.38Å; F226-V230 HydrophobicContact CD2-CG2 4.34Å; F226-V230 HydrophobicContact CE1-CG2 3.93Å; F226-V230 HydrophobicContact CE2-CG2 3.89Å; F226-V230 HydrophobicContact CZ-CG2 3.67Å; F226-V230 WeakPolarHBondContact O-CG2 3.27Å; F226-V230 PolarHBondContact O-N 2.9Å
227W87.7Confident80.4Confident119 Ų11994.6 Ų94.645%0.45152%0.516SS..Hα-helixtrans-64.8-29.5179.5-74.7114.5000112.8S223 V230 K231 L236 V239S223-W227 PolarHBondContact O-N 3.15Å; W227-V230 HydrophobicContact CE3-CB 4.38Å; W227-V230 HydrophobicContact CE3-CG1 4.29Å; W227-V230 HydrophobicContact CZ3-CG1 4.36Å; W227-K231 VanDerWaalsContact O-CB 3.29Å; W227-K231 WeakPolarHBondContact O-CB 3.38Å; W227-K231 PolarHBondContact O-N 3.03Å; W227-L236 HydrophobicContact CE3-CD1 3.66Å; W227-L236 HydrophobicContact CZ3-CD1 3.89Å; W227-V239 HydrophobicContact CH2-CG1 3.81Å; W227-V239 HydrophobicContact CZ3-CG1 3.81Å
228R85.8Confident82.2Confident148 Ų14894.3 Ų94.356%0.55851%0.507SS*.Hα-helixtrans-64.5-46169.2-177.3-174.7-58.8-110.11.4111.7V224 V225 F226 K231 E232V224-R228 VanDerWaalsContact O-CB 3.26Å; V224-R228 WeakPolarHBondContact O-CB 3.46Å; V224-R228 PolarHBondContact O-N 3.07Å; V225-R228 WeakPolarHBondContact O-CB 3.5Å; V225-R228 PolarHBondContact O-N 2.93Å; F226-R228 PolarHBondContact O-N 2.81Å; R228-K231 WeakPolarHBondContact O-CB 3.25Å; R228-K231 PolarHBondContact O-N 3.1Å; R228-E232 HydrophobicContact CG-CG 4.49Å; R228-E232 VanDerWaalsContact CG-OE1 3.26Å; R228-E232 WeakPolarHBondContact CG-OE1 3.14Å; R228-E232 WeakPolarHBondContact O-CB 3.05Å; R228-E232 WeakPolarHBondContact O-CG 3.45Å; R228-E232 PolarHBondContact O-N 2.62Å
229A87.3Confident84.2Confident52 Ų5291.8 Ų91.843%0.4349%0.491SS..Hα-helixtrans-64.3-40.417700000112.3V225 F226 K231 E232 A233V225-A229 PolarHBondContact O-N 3.46Å; F226-A229 WeakPolarHBondContact O-CB 3.45Å; F226-A229 PolarHBondContact O-N 2.76Å; A229-K231 VanDerWaalsContact C-N 3.32Å; A229-K231 PolarHBondContact O-N 3.44Å; A229-E232 PolarHBondContact O-N 2.88Å; A229-A233 WeakPolarHBondContact O-CB 3.23Å; A229-A233 PolarHBondContact O-N 3.06Å
230V87.8Confident85.6Confident21 Ų2191.8 Ų91.813%0.12749%0.494CS..Hα-helixtrans-62.4-39.5173.5172.80000111.4F226 W227 A233 G234 L235 L236F226-V230 HydrophobicContact CD1-CG2 4.38Å; F226-V230 HydrophobicContact CD2-CG2 4.34Å; F226-V230 HydrophobicContact CE1-CG2 3.93Å; F226-V230 HydrophobicContact CE2-CG2 3.89Å; F226-V230 HydrophobicContact CZ-CG2 3.67Å; F226-V230 WeakPolarHBondContact O-CG2 3.27Å; F226-V230 PolarHBondContact O-N 2.9Å; W227-V230 HydrophobicContact CE3-CB 4.38Å; W227-V230 HydrophobicContact CE3-CG1 4.29Å; W227-V230 HydrophobicContact CZ3-CG1 4.36Å; V230-A233 PolarHBondContact O-N 3.2Å; V230-G234 PolarHBondContact O-N 3.33Å; V230-L235 HydrophobicContact CG1-CB 4.23Å; V230-L235 PolarHBondContact O-N 3.26Å; V230-L235 VanDerWaalsContact O-N 3.15Å; V230-L236 HydrophobicContact CG1-CB 4.39Å; V230-L236 HydrophobicContact CG1-CD1 4.43Å
231K87.8Confident86.6Confident145 Ų14595.8 Ų95.863%0.6350%0.502SS*.Hα-helixtrans-66.6-43.4173.6-174.7178.3177.9176.40112.8W227 R228 A229 A233 G234 L236W227-K231 VanDerWaalsContact O-CB 3.29Å; W227-K231 WeakPolarHBondContact O-CB 3.38Å; W227-K231 PolarHBondContact O-N 3.03Å; R228-K231 WeakPolarHBondContact O-CB 3.25Å; R228-K231 PolarHBondContact O-N 3.1Å; A229-K231 VanDerWaalsContact C-N 3.32Å; A229-K231 PolarHBondContact O-N 3.44Å; K231-A233 VanDerWaalsContact C-N 3.28Å; K231-A233 PolarHBondContact O-N 3.21Å; K231-G234 PolarHBondContact O-N 3.18Å; K231-L236 HydrophobicContact CB-CB 4.37Å; K231-L236 HydrophobicContact CB-CD2 4.06Å; K231-L236 HydrophobicContact CD-CD2 4.18Å; K231-L236 HydrophobicContact CG-CD2 3.97Å
232E89.4Confident87.2Confident152 Ų15292.3 Ų92.371%0.7149%0.489SS*.Hα-helixtrans-68.3-27.7177.5-73.9172.3-167.700112.1R228 A229 G234R228-E232 HydrophobicContact CG-CG 4.49Å; R228-E232 VanDerWaalsContact CG-OE1 3.26Å; R228-E232 WeakPolarHBondContact CG-OE1 3.14Å; R228-E232 WeakPolarHBondContact O-CB 3.05Å; R228-E232 WeakPolarHBondContact O-CG 3.45Å; R228-E232 PolarHBondContact O-N 2.62Å; A229-E232 PolarHBondContact O-N 2.88Å; E232-G234 VanDerWaalsContact C-N 3.27Å; E232-G234 PolarHBondContact O-N 2.95Å
233A88.8Confident87.6Confident65 Ų6591.6 Ų91.654%0.53748%0.479SS..THydrogen-bonded Turntrans-76.1-8.6169.800000114.1A229 V230 K231 L235A229-A233 WeakPolarHBondContact O-CB 3.23Å; A229-A233 PolarHBondContact O-N 3.06Å; V230-A233 PolarHBondContact O-N 3.2Å; K231-A233 VanDerWaalsContact C-N 3.28Å; K231-A233 PolarHBondContact O-N 3.21Å; A233-L235 HydrophobicContact CB-CD1 4.17Å; A233-L235 HydrophobicContact CB-CG 4.25Å; A233-L235 PolarHBondContact O-N 3.07Å
234G88.6Confident87.7Confident59 Ų5994.3 Ų94.361%0.60849%0.486SS*.THydrogen-bonded Turntrans76.92.2-178.200000115.3V230 K231 E232 L236V230-G234 PolarHBondContact O-N 3.33Å; K231-G234 PolarHBondContact O-N 3.18Å; E232-G234 VanDerWaalsContact C-N 3.27Å; E232-G234 PolarHBondContact O-N 2.95Å; G234-L236 VanDerWaalsContact C-N 3.33Å; G234-L236 PolarHBondContact O-N 3.02Å
235L90Very high88.2Confident83 Ų8396.7 Ų96.744%0.43549%0.491SS..THydrogen-bonded Turntrans-85.3-2.4-175.2-63.3171.7000113.6V230 A233 E237 E238 V239V230-L235 HydrophobicContact CG1-CB 4.23Å; V230-L235 PolarHBondContact O-N 3.26Å; V230-L235 VanDerWaalsContact O-N 3.15Å; A233-L235 HydrophobicContact CB-CD1 4.17Å; A233-L235 HydrophobicContact CB-CG 4.25Å; A233-L235 PolarHBondContact O-N 3.07Å; L235-E237 PolarHBondContact O-N 3.28Å; L235-E238 WeakPolarHBondContact CD2-OE2 3.49Å; L235-E238 PolarHBondContact O-N 2.91Å; L235-V239 WeakPolarHBondContact O-CG2 3.26Å; L235-V239 PolarHBondContact O-N 3.06Å
236L88.3Confident88.3Confident52 Ų5298.5 Ų98.527%0.27249%0.494SS..Hα-helixtrans-62.8-39-175.3-17668000112.9W227 V230 K231 G234 V240W227-L236 HydrophobicContact CE3-CD1 3.66Å; W227-L236 HydrophobicContact CZ3-CD1 3.89Å; V230-L236 HydrophobicContact CG1-CB 4.39Å; V230-L236 HydrophobicContact CG1-CD1 4.43Å; K231-L236 HydrophobicContact CB-CB 4.37Å; K231-L236 HydrophobicContact CB-CD2 4.06Å; K231-L236 HydrophobicContact CD-CD2 4.18Å; K231-L236 HydrophobicContact CG-CD2 3.97Å; G234-L236 VanDerWaalsContact C-N 3.33Å; G234-L236 PolarHBondContact O-N 3.02Å; L236-V240 HydrophobicContact CD1-CG2 4.36Å; L236-V240 HydrophobicContact CG-CG2 4.49Å; L236-V240 WeakPolarHBondContact O-CB 3.16Å; L236-V240 VanDerWaalsContact O-CG2 3.22Å; L236-V240 WeakPolarHBondContact O-CG2 3.37Å; L236-V240 PolarHBondContact O-N 3.24Å
237E88.1Confident88Confident132 Ų13294 Ų9462%0.61748%0.476SS*.Hα-helixtrans-67.1-48.1-179.5-157.469.8-154.600110.6L235 V239 V240 E241L235-E237 PolarHBondContact O-N 3.28Å; E237-V239 PolarHBondContact O-N 3.4Å; E237-V240 PolarHBondContact O-N 3.5Å; E237-V240 VanDerWaalsContact O-N 3.11Å; E237-E241 WeakPolarHBondContact O-CG 3.42Å; E237-E241 PolarHBondContact O-N 2.84Å
238E90.5Very high87.9Confident113 Ų11393.9 Ų93.953%0.52848%0.481SS..Hα-helixtrans-57.7-45.7177.5-173.2173.6-161.800111.6L235 V240 E241 D242L235-E238 WeakPolarHBondContact CD2-OE2 3.49Å; L235-E238 PolarHBondContact O-N 2.91Å; E238-V240 VanDerWaalsContact C-N 3.34Å; E238-V240 PolarHBondContact O-N 2.97Å; E238-E241 PolarHBondContact O-N 3.37Å; E238-D242 WeakPolarHBondContact O-CB 3.47Å; E238-D242 PolarHBondContact O-N 3.4Å
239V90.9Very high88.1Confident61 Ų6192.5 Ų92.537%0.3748%0.48SS..Hα-helixtrans-66.1-33.5176.9173.50000112.5W227 L235 E237 F243W227-V239 HydrophobicContact CH2-CG1 3.81Å; W227-V239 HydrophobicContact CZ3-CG1 3.81Å; L235-V239 WeakPolarHBondContact O-CG2 3.26Å; L235-V239 PolarHBondContact O-N 3.06Å; E237-V239 PolarHBondContact O-N 3.4Å; V239-F243 WeakPolarHBondContact O-CB 3.25Å; V239-F243 PolarHBondContact O-N 2.95Å
240V87.1Confident87.8Confident68 Ų6893.6 Ų93.641%0.41248%0.477SS..Hα-helixtrans-74.9-39.9176.5168.80000111.3L236 E237 E238 Q244L236-V240 HydrophobicContact CD1-CG2 4.36Å; L236-V240 HydrophobicContact CG-CG2 4.49Å; L236-V240 WeakPolarHBondContact O-CB 3.16Å; L236-V240 VanDerWaalsContact O-CG2 3.22Å; L236-V240 WeakPolarHBondContact O-CG2 3.37Å; L236-V240 PolarHBondContact O-N 3.24Å; E237-V240 PolarHBondContact O-N 3.5Å; E237-V240 VanDerWaalsContact O-N 3.11Å; E238-V240 VanDerWaalsContact C-N 3.34Å; E238-V240 PolarHBondContact O-N 2.97Å; V240-Q244 VanDerWaalsContact O-CB 3.24Å; V240-Q244 WeakPolarHBondContact O-CB 3.39Å; V240-Q244 PolarHBondContact O-N 3.16Å
241E90.1Very high87.4Confident122 Ų12295.8 Ų95.857%0.5749%0.488SS*.Hα-helixtrans-64-46173.8-73.6-170.8159.300111.4E237 E238 Q244 K245E237-E241 WeakPolarHBondContact O-CG 3.42Å; E237-E241 PolarHBondContact O-N 2.84Å; E238-E241 PolarHBondContact O-N 3.37Å; E241-Q244 PolarHBondContact O-N 3.09Å; E241-K245 VanDerWaalsContact O-CB 3.26Å; E241-K245 WeakPolarHBondContact O-CB 3.2Å; E241-K245 PolarHBondContact O-N 3.5Å
242D88.8Confident87.3Confident92 Ų9295 Ų9549%0.49248%0.484SS..Hα-helixtrans-62.6-45.2175.5-86.5-19.1000111.7E238 Q244 K245 E246E238-D242 WeakPolarHBondContact O-CB 3.47Å; E238-D242 PolarHBondContact O-N 3.4Å; D242-Q244 PolarHBondContact O-N 2.89Å; D242-K245 PolarHBondContact O-N 3.41Å; D242-E246 WeakPolarHBondContact O-CB 3.32Å; D242-E246 PolarHBondContact O-N 2.98Å
243F86.1Confident86.9Confident124 Ų12488.5 Ų88.554%0.54446%0.459SS..Hα-helixtrans-62.7-42.4175.4177.4-103.2000112.1V239 K245 E246 V247V239-F243 WeakPolarHBondContact O-CB 3.25Å; V239-F243 PolarHBondContact O-N 2.95Å; F243-K245 VanDerWaalsContact C-N 3.32Å; F243-K245 PolarHBondContact O-N 3.43Å; F243-E246 PolarHBondContact O-N 3.25Å; F243-V247 HydrophobicContact CD1-CG2 4.39Å; F243-V247 HydrophobicContact CD2-CG2 4.33Å; F243-V247 HydrophobicContact CE1-CG2 3.97Å; F243-V247 HydrophobicContact CE2-CG2 3.9Å; F243-V247 HydrophobicContact CZ-CG2 3.72Å; F243-V247 WeakPolarHBondContact O-CB 3.32Å; F243-V247 VanDerWaalsContact O-CG2 3.29Å; F243-V247 WeakPolarHBondContact O-CG2 3.29Å; F243-V247 PolarHBondContact O-N 3.34Å
244Q84.9Confident86.4Confident110 Ų11085.7 Ų85.751%0.51444%0.435SS..Hα-helixtrans-61.8-42.8175.7176.4176.4-27.400111V240 E241 D242 Q248V240-Q244 VanDerWaalsContact O-CB 3.24Å; V240-Q244 WeakPolarHBondContact O-CB 3.39Å; V240-Q244 PolarHBondContact O-N 3.16Å; E241-Q244 PolarHBondContact O-N 3.09Å; D242-Q244 PolarHBondContact O-N 2.89Å; Q244-Q248 WeakPolarHBondContact O-CB 3.41Å; Q244-Q248 WeakPolarHBondContact O-CG 3.41Å; Q244-Q248 PolarHBondContact O-N 2.93Å
245K91.3Very high85.9Confident112 Ų11289.4 Ų89.449%0.48744%0.436SS..Hα-helixtrans-65.2-46.3177.7-178-176170.8-164.90111.6E241 D242 F243 V247 Q248 E249E241-K245 VanDerWaalsContact O-CB 3.26Å; E241-K245 WeakPolarHBondContact O-CB 3.2Å; E241-K245 PolarHBondContact O-N 3.5Å; D242-K245 PolarHBondContact O-N 3.41Å; F243-K245 VanDerWaalsContact C-N 3.32Å; F243-K245 PolarHBondContact O-N 3.43Å; K245-V247 PolarHBondContact O-N 2.94Å; K245-Q248 CarbonylContact O-C 3.58Å; K245-Q248 PolarHBondContact O-N 3.48Å; K245-Q248 VanDerWaalsContact O-N 3.15Å; K245-E249 WeakPolarHBondContact CE-OE1 3.49Å; K245-E249 WeakPolarHBondContact O-CB 3.44Å; K245-E249 WeakPolarHBondContact O-CG 3.39Å; K245-E249 PolarHBondContact O-N 3.45Å
246E87.1Confident85.4Confident124 Ų12491.2 Ų91.258%0.57944%0.443SS*.Hα-helixtrans-64.1-40.6177.9-171.8168.3-155.100111.4D242 F243 Q248 E249 M250D242-E246 WeakPolarHBondContact O-CB 3.32Å; D242-E246 PolarHBondContact O-N 2.98Å; F243-E246 PolarHBondContact O-N 3.25Å; E246-Q248 PolarHBondContact O-N 2.86Å; E246-E249 PolarHBondContact O-N 2.88Å; E246-M250 WeakPolarHBondContact O-CB 3.24Å; E246-M250 WeakPolarHBondContact O-CG 3.26Å; E246-M250 PolarHBondContact O-N 3.46Å
247V82.9Confident84.6Confident21 Ų2194.5 Ų94.513%0.12745%0.451CS..Hα-helixtrans-63.1-39.9172.1170.70000111.7F243 K245 M250 L251F243-V247 HydrophobicContact CD1-CG2 4.39Å; F243-V247 HydrophobicContact CD2-CG2 4.33Å; F243-V247 HydrophobicContact CE1-CG2 3.97Å; F243-V247 HydrophobicContact CE2-CG2 3.9Å; F243-V247 HydrophobicContact CZ-CG2 3.72Å; F243-V247 WeakPolarHBondContact O-CB 3.32Å; F243-V247 VanDerWaalsContact O-CG2 3.29Å; F243-V247 WeakPolarHBondContact O-CG2 3.29Å; F243-V247 PolarHBondContact O-N 3.34Å; K245-V247 PolarHBondContact O-N 2.94Å; V247-M250 HydrophobicContact CG2-CE 4.47Å; V247-L251 HydrophobicContact CG1-CD1 4Å; V247-L251 WeakPolarHBondContact O-CB 3.35Å; V247-L251 VanDerWaalsContact O-CG 3.27Å; V247-L251 WeakPolarHBondContact O-CG 3.49Å; V247-L251 PolarHBondContact O-N 2.99Å
248Q85.4Confident83.7Confident116 Ų11691.1 Ų91.154%0.54244%0.439SS..Hα-helixtrans-67.4-42.3175.2-77.2-175.23.700112.6Q244 K245 E246 L251 K252Q244-Q248 WeakPolarHBondContact O-CB 3.41Å; Q244-Q248 WeakPolarHBondContact O-CG 3.41Å; Q244-Q248 PolarHBondContact O-N 2.93Å; K245-Q248 CarbonylContact O-C 3.58Å; K245-Q248 PolarHBondContact O-N 3.48Å; K245-Q248 VanDerWaalsContact O-N 3.15Å; E246-Q248 PolarHBondContact O-N 2.86Å; Q248-L251 PolarHBondContact O-N 2.82Å; Q248-K252 VanDerWaalsContact O-CB 3.28Å; Q248-K252 WeakPolarHBondContact O-CB 3.43Å; Q248-K252 PolarHBondContact O-N 3.26Å
249E88.3Confident82.3Confident119 Ų11990.6 Ų90.656%0.55645%0.447SS*.Hα-helixtrans-66-42.2176.9-74.4-178.1-172.600111.3K245 E246 K252 G253K245-E249 WeakPolarHBondContact CE-OE1 3.49Å; K245-E249 WeakPolarHBondContact O-CB 3.44Å; K245-E249 WeakPolarHBondContact O-CG 3.39Å; K245-E249 PolarHBondContact O-N 3.45Å; E246-E249 PolarHBondContact O-N 2.88Å; E249-K252 PolarHBondContact O-N 3.48Å; E249-G253 PolarHBondContact O-N 2.9Å
250M81.5Confident80.9Confident74 Ų7493.8 Ų93.837%0.36546%0.462SS..Hα-helixtrans-60.3-46.7171.6-77.3-156.4-56.900112.2E246 V247 K252 L254 L270E246-M250 WeakPolarHBondContact O-CB 3.24Å; E246-M250 WeakPolarHBondContact O-CG 3.26Å; E246-M250 PolarHBondContact O-N 3.46Å; V247-M250 HydrophobicContact CG2-CE 4.47Å; M250-K252 VanDerWaalsContact C-N 3.35Å; M250-L254 WeakPolarHBondContact O-CB 3.46Å; M250-L254 PolarHBondContact O-N 3.34Å; M250-L270 HydrophobicContact CE-CD1 4.41Å; M250-L270 HydrophobicContact SD-CD1 4.1Å; M250-L270 HydrophobicContact SD-CD2 4.44Å
251L80.8Confident80.1Confident67 Ų6795.8 Ų95.835%0.35148%0.477SS..Hα-helixtrans-65.5-36.9178.7-78.7173.1000112.2V247 Q248 L254 Q255 I274V247-L251 HydrophobicContact CG1-CD1 4Å; V247-L251 WeakPolarHBondContact O-CB 3.35Å; V247-L251 VanDerWaalsContact O-CG 3.27Å; V247-L251 WeakPolarHBondContact O-CG 3.49Å; V247-L251 PolarHBondContact O-N 2.99Å; Q248-L251 PolarHBondContact O-N 2.82Å; L251-L254 HydrophobicContact CD2-CD2 4.2Å; L251-Q255 WeakPolarHBondContact O-CB 3.36Å; L251-Q255 PolarHBondContact O-N 3.38Å; L251-I274 HydrophobicContact CD2-CD1 3.79Å; L251-I274 HydrophobicContact CG-CD1 4.27Å
252K84.1Confident78.9Confident128 Ų12895.6 Ų95.656%0.55749%0.486SS*.Hα-helixtrans-68.1-49.8175.9-176.4-176172.8-168.40111.5Q248 E249 M250 L254 Q255 E256Q248-K252 VanDerWaalsContact O-CB 3.28Å; Q248-K252 WeakPolarHBondContact O-CB 3.43Å; Q248-K252 PolarHBondContact O-N 3.26Å; E249-K252 PolarHBondContact O-N 3.48Å; M250-K252 VanDerWaalsContact C-N 3.35Å; K252-L254 VanDerWaalsContact C-N 3.25Å; K252-L254 PolarHBondContact O-N 2.86Å; K252-Q255 WeakPolarHBondContact O-CB 3.42Å; K252-Q255 PolarHBondContact O-N 3.01Å; K252-E256 WeakPolarHBondContact CE-OE1 3.2Å; K252-E256 WeakPolarHBondContact O-CG 3.44Å; K252-E256 PolarHBondContact O-N 3.33Å
253G81.6Confident77.9Confident17 Ų1794.7 Ų94.718%0.17548%0.484CS..Hα-helixtrans-62.5-34.2176.700000112.4E249 R257E249-G253 PolarHBondContact O-N 2.9Å; G253-R257 VanDerWaalsContact C-NH1 3.31Å; G253-R257 WeakPolarHBondContact O-CG 3.38Å; G253-R257 PolarHBondContact O-N 3.46Å; G253-R257 VanDerWaalsContact O-N 3.16Å; G253-R257 PolarHBondContact O-NH1 3.33Å; G253-R257 VanDerWaalsContact O-NH1 3.08Å
254L78.8Confident77.5Confident6 Ų693.8 Ų93.83%0.03148%0.481CS..Hα-helixtrans-65.4-44.6169.7170.271000112M250 L251 K252 E256 R257 V258 D267 L270 L271M250-L254 WeakPolarHBondContact O-CB 3.46Å; M250-L254 PolarHBondContact O-N 3.34Å; L251-L254 HydrophobicContact CD2-CD2 4.2Å; K252-L254 VanDerWaalsContact C-N 3.25Å; K252-L254 PolarHBondContact O-N 2.86Å; L254-E256 VanDerWaalsContact C-N 3.3Å; L254-E256 PolarHBondContact O-N 2.86Å; L254-R257 PolarHBondContact O-N 2.85Å; L254-V258 HydrophobicContact CD1-CG2 3.77Å; L254-V258 HydrophobicContact CG-CG2 4.16Å; L254-V258 WeakPolarHBondContact O-CB 3.48Å; L254-V258 VanDerWaalsContact O-CG2 3.27Å; L254-V258 WeakPolarHBondContact O-CG2 3.45Å; L254-V258 PolarHBondContact O-N 2.79Å; L254-D267 HydrophobicContact CD1-CB 3.4Å; L254-D267 VanDerWaalsContact CD1-CB 3.4Å; L254-D267 VanDerWaalsContact CD1-CG 3.42Å; L254-L270 HydrophobicContact CD2-CD2 4.49Å; L254-L271 HydrophobicContact CD1-CD1 4.34Å; L254-L271 HydrophobicContact CD1-CG 4.46Å; L254-L271 HydrophobicContact CD2-CD1 4.17Å; L254-L271 HydrophobicContact CD2-CD2 3.65Å; L254-L271 HydrophobicContact CD2-CG 3.6Å
255Q78.4Confident77.2Confident136 Ų13694.3 Ų94.364%0.63649%0.491SS*.Hα-helixtrans-60.6-41.4178.3-177.9176.86.100111.3L251 K252 V258 C259L251-Q255 WeakPolarHBondContact O-CB 3.36Å; L251-Q255 PolarHBondContact O-N 3.38Å; K252-Q255 WeakPolarHBondContact O-CB 3.42Å; K252-Q255 PolarHBondContact O-N 3.01Å; Q255-V258 PolarHBondContact O-N 3.08Å; Q255-C259 PolarHBondContact O-N 3.25Å; Q255-C259 PolarHBondContact O-SG 2.71Å; Q255-C259 VanDerWaalsContact O-SG 3.34Å
256E78.3Confident76.5Confident122 Ų12296.5 Ų96.557%0.5750%0.501SS*.Hα-helixtrans-61.9-41.8174.9-70.9168.6-17200111.6K252 L254K252-E256 WeakPolarHBondContact CE-OE1 3.2Å; K252-E256 WeakPolarHBondContact O-CG 3.44Å; K252-E256 PolarHBondContact O-N 3.33Å; L254-E256 VanDerWaalsContact C-N 3.3Å; L254-E256 PolarHBondContact O-N 2.86Å
257R71.6Confident76.2Confident120 Ų12091.1 Ų91.145%0.45348%0.476SS..Hα-helixtrans-72-35.5175.5-69.5-171.6-56.4-87.67.1114.2G253 L254 C259 D260 D267G253-R257 VanDerWaalsContact C-NH1 3.31Å; G253-R257 WeakPolarHBondContact O-CG 3.38Å; G253-R257 PolarHBondContact O-N 3.46Å; G253-R257 VanDerWaalsContact O-N 3.16Å; G253-R257 PolarHBondContact O-NH1 3.33Å; G253-R257 VanDerWaalsContact O-NH1 3.08Å; L254-R257 PolarHBondContact O-N 2.85Å; R257-C259 PolarHBondContact O-N 2.79Å; R257-D260 PolarHBondContact O-N 2.9Å; R257-D267 IonicContact CZ-OD1 2.72Å; R257-D267 IonicContact CZ-OD2 3.69Å; R257-D267 IonicContact NE-OD1 2.78Å; R257-D267 PolarHBondContact NE-OD1 3.2Å; R257-D267 IonicContact NE-OD2 3.46Å; R257-D267 PolarHBondContact NE-OD2 2.96Å; R257-D267 IonicContact NH2-OD1 3.73Å; R257-D267 PolarHBondContact NH2-OD1 3.04Å; R257-D267 IonicContact NH2-OD2 3.36Å
258V68.9Low76.1Confident61 Ų6192.6 Ų92.637%0.3749%0.49SS..Hα-helixtrans-69.5-21.8-179.2165.10000112.5L254 Q255 D260 V263L254-V258 HydrophobicContact CD1-CG2 3.77Å; L254-V258 HydrophobicContact CG-CG2 4.16Å; L254-V258 WeakPolarHBondContact O-CB 3.48Å; L254-V258 VanDerWaalsContact O-CG2 3.27Å; L254-V258 WeakPolarHBondContact O-CG2 3.45Å; L254-V258 PolarHBondContact O-N 2.79Å; Q255-V258 PolarHBondContact O-N 3.08Å; V258-D260 PolarHBondContact O-N 3.04Å; V258-V263 HydrophobicContact CG1-CG2 4.39Å; V258-V263 HydrophobicContact CG2-CG1 4.2Å; V258-V263 HydrophobicContact CG2-CG2 4.21Å
259C62.6Low76Confident103 Ų10390.6 Ų90.670%0.69649%0.486SS*.THydrogen-bonded Turntrans-67.4-18.1173.2-74.30000114.1Q255 R257Q255-C259 PolarHBondContact O-N 3.25Å; Q255-C259 PolarHBondContact O-SG 2.71Å; Q255-C259 VanDerWaalsContact O-SG 3.34Å; R257-C259 PolarHBondContact O-N 2.79Å
260D61.1Low75.7Confident128 Ų12887 Ų8768%0.68447%0.47SS*.SBendtrans-115.3106.7-178.6-137.3-12.1000110.8R257 V258R257-D260 PolarHBondContact O-N 2.9Å; V258-D260 PolarHBondContact O-N 3.04Å
261P70.5Confident75.6Confident109 Ų10986.5 Ų86.571%0.70847%0.469SS*.SBendtrans-69.9139.6-178.7-19.132.3000112.4
262P63.3Low75.8Confident119 Ų11986.6 Ų86.677%0.77347%0.47SS*.SBendcis-99.3142.810.536.2-32.1000114.3E264P262-E264 PolarHBondContact O-N 2.74Å
263V68.4Low75.8Confident72 Ų7283.5 Ų83.544%0.43646%0.459SS..PPolyproline II helixtrans-59.3127.4173.1-177.30000110.9V258 D267V258-V263 HydrophobicContact CG1-CG2 4.39Å; V258-V263 HydrophobicContact CG2-CG1 4.2Å; V258-V263 HydrophobicContact CG2-CG2 4.21Å; V263-D267 HydrophobicContact CG1-CB 4.07Å
264E78.5Confident75.9Confident105 Ų10583.8 Ų83.849%0.49146%0.456SS..PPolyproline II helixtrans-66.8150.2178-70.7-157.6173.600112.8P262 K266 D267 A268P262-E264 PolarHBondContact O-N 2.74Å; E264-K266 PolarHBondContact O-N 2.89Å; E264-D267 HydrophobicContact CB-CB 4.47Å; E264-D267 PolarHBondContact O-N 3.4Å; E264-A268 PolarHBondContact O-N 3.45Å; E264-A268 VanDerWaalsContact O-N 3.09Å
265V77.7Confident76.1Confident121 Ų12184.2 Ų84.273%0.73346%0.46SS*.Hα-helixtrans-60.7-32.5176.2-178.50000111.8A268 V269V265-A268 PolarHBondContact O-N 3.41Å; V265-V269 WeakPolarHBondContact O-CG2 3.4Å; V265-V269 PolarHBondContact O-N 3.13Å; V265-V269 VanDerWaalsContact O-N 3.09Å
266K77.9Confident76.2Confident159 Ų15982.6 Ų82.669%0.69145%0.452SS*.Hα-helixtrans-63.1-46.3176.3-63173.6-173.8162.50111.5E264 V269 L270E264-K266 PolarHBondContact O-N 2.89Å; K266-V269 PolarHBondContact O-N 3.25Å; K266-L270 PolarHBondContact O-N 2.87Å
267D80.7Confident76.2Confident11 Ų1183.3 Ų83.36%0.05946%0.46CS..Hα-helixtrans-65.2-38.1178.9-80-18.4000111.9L254 R257 V263 E264 L270 L271L254-D267 HydrophobicContact CD1-CB 3.4Å; L254-D267 VanDerWaalsContact CD1-CB 3.4Å; L254-D267 VanDerWaalsContact CD1-CG 3.42Å; R257-D267 IonicContact CZ-OD1 2.72Å; R257-D267 IonicContact CZ-OD2 3.69Å; R257-D267 IonicContact NE-OD1 2.78Å; R257-D267 PolarHBondContact NE-OD1 3.2Å; R257-D267 IonicContact NE-OD2 3.46Å; R257-D267 PolarHBondContact NE-OD2 2.96Å; R257-D267 IonicContact NH2-OD1 3.73Å; R257-D267 PolarHBondContact NH2-OD1 3.04Å; R257-D267 IonicContact NH2-OD2 3.36Å; V263-D267 HydrophobicContact CG1-CB 4.07Å; E264-D267 HydrophobicContact CB-CB 4.47Å; E264-D267 PolarHBondContact O-N 3.4Å; D267-L270 PolarHBondContact O-N 2.85Å; D267-L271 WeakPolarHBondContact O-CB 3.33Å; D267-L271 WeakPolarHBondContact O-CG 3.35Å; D267-L271 PolarHBondContact O-N 2.92Å
268A80.8Confident76.7Confident51 Ų5183.4 Ų83.442%0.42146%0.463SS..Hα-helixtrans-64.4-37172.600000113.2E264 V265 N272E264-A268 PolarHBondContact O-N 3.45Å; E264-A268 VanDerWaalsContact O-N 3.09Å; V265-A268 PolarHBondContact O-N 3.41Å; A268-N272 WeakPolarHBondContact O-CB 3.15Å; A268-N272 PolarHBondContact O-N 2.91Å
269V82.6Confident77.3Confident74 Ų7483.3 Ų83.345%0.44848%0.475SS..Hα-helixtrans-70.7-41.51751710000111.2V265 K266 L271 N272 N273V265-V269 WeakPolarHBondContact O-CG2 3.4Å; V265-V269 PolarHBondContact O-N 3.13Å; V265-V269 VanDerWaalsContact O-N 3.09Å; K266-V269 PolarHBondContact O-N 3.25Å; V269-L271 PolarHBondContact O-N 2.91Å; V269-N272 PolarHBondContact O-N 3.48Å; V269-N273 VanDerWaalsContact O-CG 3.27Å; V269-N273 PolarHBondContact O-N 3.46Å; V269-N273 PolarHBondContact O-ND2 2.85Å
270L81.6Confident78.3Confident44 Ų4482.4 Ų82.423%0.2346%0.461CS..Hα-helixtrans-58.3-48.6174.7-168.679.9000110.9M250 L254 K266 D267 N272 N273 I274M250-L270 HydrophobicContact CE-CD1 4.41Å; M250-L270 HydrophobicContact SD-CD1 4.1Å; M250-L270 HydrophobicContact SD-CD2 4.44Å; L254-L270 HydrophobicContact CD2-CD2 4.49Å; K266-L270 PolarHBondContact O-N 2.87Å; D267-L270 PolarHBondContact O-N 2.85Å; L270-N272 PolarHBondContact O-N 3.29Å; L270-N273 PolarHBondContact O-N 2.95Å; L270-I274 HydrophobicContact CD2-CD1 4.44Å; L270-I274 HydrophobicContact CG-CD1 4.1Å; L270-I274 WeakPolarHBondContact O-CG1 3.38Å; L270-I274 PolarHBondContact O-N 2.85Å
271L79.6Confident79.4Confident64 Ų6479.6 Ų79.634%0.33545%0.446SS..Hα-helixtrans-56-47.6173.9-84.2166000112.3L254 D267 V269 N273 I274 V275L254-L271 HydrophobicContact CD1-CD1 4.34Å; L254-L271 HydrophobicContact CD1-CG 4.46Å; L254-L271 HydrophobicContact CD2-CD1 4.17Å; L254-L271 HydrophobicContact CD2-CD2 3.65Å; L254-L271 HydrophobicContact CD2-CG 3.6Å; D267-L271 WeakPolarHBondContact O-CB 3.33Å; D267-L271 WeakPolarHBondContact O-CG 3.35Å; D267-L271 PolarHBondContact O-N 2.92Å; V269-L271 PolarHBondContact O-N 2.91Å; L271-N273 VanDerWaalsContact C-N 3.33Å; L271-N273 PolarHBondContact O-N 3.48Å; L271-I274 PolarHBondContact O-N 3.39Å; L271-V275 VanDerWaalsContact O-CB 3.26Å; L271-V275 WeakPolarHBondContact O-CB 3.41Å; L271-V275 WeakPolarHBondContact O-CG2 3.5Å; L271-V275 PolarHBondContact O-N 3.48Å
272N84.4Confident80Confident68 Ų6879.2 Ų79.236%0.36444%0.438SS..Hα-helixtrans-60.8-42.7179.1-178.881.4000111.9A268 V269 L270 V275 Q276A268-N272 WeakPolarHBondContact O-CB 3.15Å; A268-N272 PolarHBondContact O-N 2.91Å; V269-N272 PolarHBondContact O-N 3.48Å; L270-N272 PolarHBondContact O-N 3.29Å; N272-V275 PolarHBondContact O-N 3.15Å; N272-Q276 PolarHBondContact ND2-OE1 2.84Å; N272-Q276 WeakPolarHBondContact O-CB 3.46Å; N272-Q276 PolarHBondContact O-N 3.07Å
273N84.9Confident81.1Confident64 Ų6477.8 Ų77.834%0.34242%0.423SS..Hα-helixtrans-64.4-46.4178.6-68.1-20.8000111.8V269 L270 L271 V275 Q276 N277V269-N273 VanDerWaalsContact O-CG 3.27Å; V269-N273 PolarHBondContact O-N 3.46Å; V269-N273 PolarHBondContact O-ND2 2.85Å; L270-N273 PolarHBondContact O-N 2.95Å; L271-N273 VanDerWaalsContact C-N 3.33Å; L271-N273 PolarHBondContact O-N 3.48Å; N273-V275 PolarHBondContact O-N 2.94Å; N273-Q276 PolarHBondContact O-N 3.25Å; N273-N277 WeakPolarHBondContact O-CB 3.33Å; N273-N277 VanDerWaalsContact O-CG 3.27Å; N273-N277 PolarHBondContact O-N 3.17Å; N273-N277 PolarHBondContact O-ND2 2.72Å
274I82.5Confident82Confident22 Ų2276.5 Ų76.511%0.11342%0.416CS..Hα-helixtrans-59.8-48.2175.5-67.3171.7000109.9L251 L270 L271 Q276 N277 F278L251-I274 HydrophobicContact CD2-CD1 3.79Å; L251-I274 HydrophobicContact CG-CD1 4.27Å; L270-I274 HydrophobicContact CD2-CD1 4.44Å; L270-I274 HydrophobicContact CG-CD1 4.1Å; L270-I274 WeakPolarHBondContact O-CG1 3.38Å; L270-I274 PolarHBondContact O-N 2.85Å; L271-I274 PolarHBondContact O-N 3.39Å; I274-Q276 VanDerWaalsContact C-N 3.3Å; I274-Q276 PolarHBondContact O-N 3.46Å; I274-N277 PolarHBondContact O-N 3.36Å; I274-F278 HydrophobicContact CG2-CD2 3.75Å; I274-F278 HydrophobicContact CG2-CE2 4.08Å; I274-F278 WeakPolarHBondContact O-CD2 3.27Å; I274-F278 PolarHBondContact O-N 2.78Å
275V82.9Confident82.4Confident16 Ų1676.8 Ų76.810%0.09742%0.415CS..Hα-helixtrans-65.6-30.3-178.5170.80000112.8L271 N272 N273 G279 M280 L281 V284L271-V275 VanDerWaalsContact O-CB 3.26Å; L271-V275 WeakPolarHBondContact O-CB 3.41Å; L271-V275 WeakPolarHBondContact O-CG2 3.5Å; L271-V275 PolarHBondContact O-N 3.48Å; N272-V275 PolarHBondContact O-N 3.15Å; N273-V275 PolarHBondContact O-N 2.94Å; V275-G279 CarbonylContact O-C 3.59Å; V275-G279 PolarHBondContact O-N 2.98Å; V275-M280 HydrophobicContact CG1-CB 4.37Å; V275-M280 PolarHBondContact O-N 3.5Å; V275-L281 VanDerWaalsContact CG1-CA 3.45Å; V275-L281 HydrophobicContact CG1-CB 3.92Å; V275-L281 HydrophobicContact CG1-CD1 3.79Å; V275-L281 HydrophobicContact CG1-CG 4.48Å; V275-L281 PolarHBondContact O-N 3.12Å; V275-V284 HydrophobicContact CG1-CB 4.35Å; V275-V284 HydrophobicContact CG1-CG2 3.92Å; V275-V284 HydrophobicContact CG2-CG2 3.87Å
276Q82.1Confident83.1Confident101 Ų10179.5 Ų79.547%0.47241%0.413SS..Hα-helixtrans-74-50.4171-83.3-177.6-50.600112.1N272 N273 I274 F278 G279N272-Q276 PolarHBondContact ND2-OE1 2.84Å; N272-Q276 WeakPolarHBondContact O-CB 3.46Å; N272-Q276 PolarHBondContact O-N 3.07Å; N273-Q276 PolarHBondContact O-N 3.25Å; I274-Q276 VanDerWaalsContact C-N 3.3Å; I274-Q276 PolarHBondContact O-N 3.46Å; Q276-F278 VanDerWaalsContact C-N 3.34Å; Q276-F278 PolarHBondContact O-N 3.09Å; Q276-G279 PolarHBondContact O-N 3.09Å; Q276-G279 VanDerWaalsContact O-N 3.08Å
277N78.7Confident83.8Confident137 Ų13776.1 Ų76.173%0.73341%0.405SS*.Hα-helixtrans-61.8-38.9-176.9-72.9-29.4000112.7N273 I274N273-N277 WeakPolarHBondContact O-CB 3.33Å; N273-N277 VanDerWaalsContact O-CG 3.27Å; N273-N277 PolarHBondContact O-N 3.17Å; N273-N277 PolarHBondContact O-ND2 2.72Å; I274-N277 PolarHBondContact O-N 3.36Å
278F81Confident84.3Confident122 Ų12280.9 Ų80.954%0.53543%0.43SS..THydrogen-bonded Turntrans-89.65.4176.8-68.3-76.6000113.9I274 Q276 M280I274-F278 HydrophobicContact CG2-CD2 3.75Å; I274-F278 HydrophobicContact CG2-CE2 4.08Å; I274-F278 WeakPolarHBondContact O-CD2 3.27Å; I274-F278 PolarHBondContact O-N 2.78Å; Q276-F278 VanDerWaalsContact C-N 3.34Å; Q276-F278 PolarHBondContact O-N 3.09Å; F278-M280 HydrophobicContact CB-CG 3.91Å; F278-M280 HydrophobicContact CB-SD 3.96Å; F278-M280 PolarHBondContact O-N 2.95Å
279G81.1Confident84.9Confident59 Ų5981.2 Ų81.261%0.60843%0.433SS*.  trans62.611.9-179.500000115.2V275 Q276 L281V275-G279 CarbonylContact O-C 3.59Å; V275-G279 PolarHBondContact O-N 2.98Å; Q276-G279 PolarHBondContact O-N 3.09Å; Q276-G279 VanDerWaalsContact O-N 3.08Å; G279-L281 PolarHBondContact O-N 2.84Å
280M84.8Confident85.5Confident84 Ų8481.3 Ų81.341%0.41444%0.437SS..THydrogen-bonded Turntrans-71.4-0.8-173.3-70.4174.758.800114.1V275 F278 D282 L283 V284V275-M280 HydrophobicContact CG1-CB 4.37Å; V275-M280 PolarHBondContact O-N 3.5Å; F278-M280 HydrophobicContact CB-CG 3.91Å; F278-M280 HydrophobicContact CB-SD 3.96Å; F278-M280 PolarHBondContact O-N 2.95Å; M280-D282 VanDerWaalsContact C-N 3.26Å; M280-D282 PolarHBondContact O-N 3.28Å; M280-D282 VanDerWaalsContact O-N 3.16Å; M280-L283 WeakPolarHBondContact O-CA 3.32Å; M280-L283 WeakPolarHBondContact O-CB 3.35Å; M280-L283 PolarHBondContact O-N 3.41Å; M280-V284 PolarHBondContact O-N 3.33Å
281L82.8Confident86.1Confident69 Ų6984.8 Ų84.836%0.36145%0.451SS..Hα-helixtrans-55.3-37.7-172-170.767.8000113.4V275 G279 V284 K285V275-L281 VanDerWaalsContact CG1-CA 3.45Å; V275-L281 HydrophobicContact CG1-CB 3.92Å; V275-L281 HydrophobicContact CG1-CD1 3.79Å; V275-L281 HydrophobicContact CG1-CG 4.48Å; V275-L281 PolarHBondContact O-N 3.12Å; G279-L281 PolarHBondContact O-N 2.84Å; L281-V284 PolarHBondContact O-N 3.4Å; L281-K285 WeakPolarHBondContact O-CB 3.12Å; L281-K285 VanDerWaalsContact O-CG 3.25Å; L281-K285 WeakPolarHBondContact O-CG 3.37Å; L281-K285 PolarHBondContact O-N 2.86Å
282D83.8Confident86.8Confident101 Ų10187.1 Ų87.154%0.5446%0.459SS..Hα-helixtrans-77.6-26.4179-67.7-27.5000113.5M280 K285 R286M280-D282 VanDerWaalsContact C-N 3.26Å; M280-D282 PolarHBondContact O-N 3.28Å; M280-D282 VanDerWaalsContact O-N 3.16Å; D282-K285 WeakPolarHBondContact OD1-CD 3.27Å; D282-K285 IonicContact OD1-NZ 3.02Å; D282-K285 PolarHBondContact OD1-NZ 3.34Å; D282-R286 VanDerWaalsContact O-CB 3.32Å; D282-R286 WeakPolarHBondContact O-CB 3.33Å; D282-R286 PolarHBondContact O-N 2.88Å; D282-R286 VanDerWaalsContact O-N 3.09Å
283L86.6Confident87.3Confident89 Ų8986.5 Ų86.547%0.46646%0.46SS..Hα-helixtrans-68.8-46.1168.4-178.761.8000110.2M280 R286 V287M280-L283 WeakPolarHBondContact O-CA 3.32Å; M280-L283 WeakPolarHBondContact O-CB 3.35Å; M280-L283 PolarHBondContact O-N 3.41Å; L283-R286 WeakPolarHBondContact O-CB 3.13Å; L283-R286 PolarHBondContact O-N 2.85Å; L283-R286 VanDerWaalsContact O-N 3.16Å; L283-V287 HydrophobicContact CD1-CG2 4.45Å; L283-V287 WeakPolarHBondContact O-CG2 3.45Å; L283-V287 PolarHBondContact O-N 2.88Å
284V86.5Confident87.9Confident46 Ų4687.8 Ų87.828%0.27946%0.464SS..Hα-helixtrans-61.4-46.7176.8174.40000111.2V275 M280 L281 R286 V287 L288V275-V284 HydrophobicContact CG1-CB 4.35Å; V275-V284 HydrophobicContact CG1-CG2 3.92Å; V275-V284 HydrophobicContact CG2-CG2 3.87Å; M280-V284 PolarHBondContact O-N 3.33Å; L281-V284 PolarHBondContact O-N 3.4Å; V284-R286 VanDerWaalsContact C-N 3.3Å; V284-R286 PolarHBondContact O-N 3.39Å; V284-V287 PolarHBondContact O-N 3.05Å; V284-L288 HydrophobicContact CG1-CD1 3.78Å; V284-L288 HydrophobicContact CG1-CG 4.26Å; V284-L288 WeakPolarHBondContact O-CB 3.45Å; V284-L288 WeakPolarHBondContact O-CG 3.44Å; V284-L288 PolarHBondContact O-N 2.79Å
285K88.3Confident88.4Confident110 Ų11090.3 Ų90.348%0.47848%0.476SS..Hα-helixtrans-55-44.1172.6-74.7169.8-166.31510111.8L281 D282 A289L281-K285 WeakPolarHBondContact O-CB 3.12Å; L281-K285 VanDerWaalsContact O-CG 3.25Å; L281-K285 WeakPolarHBondContact O-CG 3.37Å; L281-K285 PolarHBondContact O-N 2.86Å; D282-K285 WeakPolarHBondContact OD1-CD 3.27Å; D282-K285 IonicContact OD1-NZ 3.02Å; D282-K285 PolarHBondContact OD1-NZ 3.34Å; K285-A289 WeakPolarHBondContact O-CB 3.45Å; K285-A289 PolarHBondContact O-N 2.89Å
286R92.6Very high89Confident179 Ų17991.8 Ų91.868%0.67548%0.483SS*.Hα-helixtrans-65.3-44.7179.9-169.9-170.9-55.9178.93.2111.9D282 L283 V284 A289 S290D282-R286 VanDerWaalsContact O-CB 3.32Å; D282-R286 WeakPolarHBondContact O-CB 3.33Å; D282-R286 PolarHBondContact O-N 2.88Å; D282-R286 VanDerWaalsContact O-N 3.09Å; L283-R286 WeakPolarHBondContact O-CB 3.13Å; L283-R286 PolarHBondContact O-N 2.85Å; L283-R286 VanDerWaalsContact O-N 3.16Å; V284-R286 VanDerWaalsContact C-N 3.3Å; V284-R286 PolarHBondContact O-N 3.39Å; R286-A289 PolarHBondContact O-N 3.36Å; R286-S290 WeakPolarHBondContact O-CB 3.48Å; R286-S290 PolarHBondContact O-N 3.43Å
287V92.5Very high89.7Confident88 Ų8895.3 Ų95.353%0.53349%0.492SS..Hα-helixtrans-64.5-46.4177.2172.50000110.7L283 V284 A289 S290 H291L283-V287 HydrophobicContact CD1-CG2 4.45Å; L283-V287 WeakPolarHBondContact O-CG2 3.45Å; L283-V287 PolarHBondContact O-N 2.88Å; V284-V287 PolarHBondContact O-N 3.05Å; V287-A289 PolarHBondContact O-N 3.37Å; V287-S290 WeakPolarHBondContact O-CB 3.36Å; V287-S290 PolarHBondContact O-N 3.22Å; V287-H291 WeakPolarHBondContact O-CB 3.3Å; V287-H291 PolarHBondContact O-N 3.37Å
288L90.8Very high90.6Very high110 Ų11094.1 Ų94.158%0.57648%0.478SS*.Hα-helixtrans-63.8-39.5176.7-70.6174.6000112.5V284 K292V284-L288 HydrophobicContact CG1-CD1 3.78Å; V284-L288 HydrophobicContact CG1-CG 4.26Å; V284-L288 WeakPolarHBondContact O-CB 3.45Å; V284-L288 WeakPolarHBondContact O-CG 3.44Å; V284-L288 PolarHBondContact O-N 2.79Å; L288-K292 WeakPolarHBondContact O-CB 3.33Å; L288-K292 PolarHBondContact O-N 2.87Å
289A92.8Very high91.3Very high59 Ų5995.4 Ų95.449%0.48848%0.48SS..Hα-helixtrans-65.8-39.7174.500000112.2K285 R286 V287 S293K285-A289 WeakPolarHBondContact O-CB 3.45Å; K285-A289 PolarHBondContact O-N 2.89Å; R286-A289 PolarHBondContact O-N 3.36Å; V287-A289 PolarHBondContact O-N 3.37Å; A289-S293 WeakPolarHBondContact O-CB 3.39Å; A289-S293 PolarHBondContact O-N 2.82Å
290S94.7Very high92Very high76 Ų7697 Ų9753%0.53147%0.471SS..Hα-helixtrans-62.9-52.4174.2-1720000111.4R286 V287 K292 S293 Q294R286-S290 WeakPolarHBondContact O-CB 3.48Å; R286-S290 PolarHBondContact O-N 3.43Å; V287-S290 WeakPolarHBondContact O-CB 3.36Å; V287-S290 PolarHBondContact O-N 3.22Å; S290-K292 VanDerWaalsContact C-N 3.33Å; S290-K292 PolarHBondContact O-N 3.2Å; S290-S293 WeakPolarHBondContact O-CB 3.38Å; S290-S293 PolarHBondContact O-N 2.87Å; S290-S293 VanDerWaalsContact O-N 3.12Å; S290-Q294 PolarHBondContact O-N 3.4Å
291H94.9Very high92.6Very high116 Ų11698.9 Ų98.954%0.53748%0.479SS..Hα-helixtrans-60.6-41.2178-177.2-103000112V287 Q294 M295V287-H291 WeakPolarHBondContact O-CB 3.3Å; V287-H291 PolarHBondContact O-N 3.37Å; H291-Q294 PolarHBondContact O-N 3.35Å; H291-M295 WeakPolarHBondContact O-CB 3.28Å; H291-M295 PolarHBondContact O-N 3.44Å
292K94.2Very high93.3Very high114 Ų114103.6 Ų103.650%0.49649%0.493SS..Hα-helixtrans-59.6-48.4172.3175.8169171.544.10111.6L288 S290 Q294 M295 D296L288-K292 WeakPolarHBondContact O-CB 3.33Å; L288-K292 PolarHBondContact O-N 2.87Å; S290-K292 VanDerWaalsContact C-N 3.33Å; S290-K292 PolarHBondContact O-N 3.2Å; K292-Q294 VanDerWaalsContact C-N 3.3Å; K292-Q294 PolarHBondContact O-N 3.08Å; K292-M295 PolarHBondContact O-N 3.16Å; K292-D296 WeakPolarHBondContact CG-OD2 3.48Å; K292-D296 IonicContact NZ-OD1 3.23Å; K292-D296 IonicContact NZ-OD2 2.7Å; K292-D296 PolarHBondContact NZ-OD2 2.92Å; K292-D296 WeakPolarHBondContact O-CB 3.43Å; K292-D296 VanDerWaalsContact O-CG 3.26Å; K292-D296 PolarHBondContact O-N 2.7Å
293S95.4Very high93.9Very high54 Ų54103.4 Ų103.438%0.37850%0.496SS..Hα-helixtrans-61.6-38.7177.6-172.40000112.2A289 S290 D296 R297A289-S293 WeakPolarHBondContact O-CB 3.39Å; A289-S293 PolarHBondContact O-N 2.82Å; S290-S293 WeakPolarHBondContact O-CB 3.38Å; S290-S293 PolarHBondContact O-N 2.87Å; S290-S293 VanDerWaalsContact O-N 3.12Å; S293-D296 PolarHBondContact O-N 2.95Å; S293-R297 VanDerWaalsContact O-CG 3.3Å; S293-R297 WeakPolarHBondContact O-CG 3.39Å; S293-R297 PolarHBondContact O-N 3.44Å
294Q96.3Very high94.4Very high92 Ų92106.7 Ų106.743%0.4350%0.502SS..Hα-helixtrans-64.3-47.3174.6-179.8176.3-4.700111.9S290 H291 K292 D296 R297 Y298S290-Q294 PolarHBondContact O-N 3.4Å; H291-Q294 PolarHBondContact O-N 3.35Å; K292-Q294 VanDerWaalsContact C-N 3.3Å; K292-Q294 PolarHBondContact O-N 3.08Å; Q294-D296 PolarHBondContact O-N 3.28Å; Q294-R297 WeakPolarHBondContact O-CB 3.42Å; Q294-R297 PolarHBondContact O-N 3.49Å; Q294-Y298 HydrophobicContact CG-CD2 4.11Å; Q294-Y298 HydrophobicContact CG-CE2 3.56Å; Q294-Y298 PolarHBondContact NE2-OH 3.49Å; Q294-Y298 VanDerWaalsContact O-CD2 3.25Å; Q294-Y298 WeakPolarHBondContact O-CD2 3.47Å; Q294-Y298 PolarHBondContact O-N 3.05Å
295M94.1Very high95Very high74 Ų74107.4 Ų107.437%0.36551%0.509SS..Hα-helixtrans-63.3-40.5176.2-174.5-176.861.200112.1H291 K292 Y298 R299H291-M295 WeakPolarHBondContact O-CB 3.28Å; H291-M295 PolarHBondContact O-N 3.44Å; K292-M295 PolarHBondContact O-N 3.16Å; M295-Y298 PolarHBondContact O-N 3.31Å; M295-R299 WeakPolarHBondContact O-CG 3.25Å; M295-R299 PolarHBondContact O-N 3.34Å
296D95.9Very high95.4Very high48 Ų48106.9 Ų106.926%0.25751%0.511SS..Hα-helixtrans-65.4-39.5177.1-70.9-27.1000110.6K292 S293 Q294 Y298 R299 E300K292-D296 WeakPolarHBondContact CG-OD2 3.48Å; K292-D296 IonicContact NZ-OD1 3.23Å; K292-D296 IonicContact NZ-OD2 2.7Å; K292-D296 PolarHBondContact NZ-OD2 2.92Å; K292-D296 WeakPolarHBondContact O-CB 3.43Å; K292-D296 VanDerWaalsContact O-CG 3.26Å; K292-D296 PolarHBondContact O-N 2.7Å; S293-D296 PolarHBondContact O-N 2.95Å; Q294-D296 PolarHBondContact O-N 3.28Å; D296-Y298 PolarHBondContact O-N 3.31Å; D296-R299 WeakPolarHBondContact O-CB 3.49Å; D296-R299 PolarHBondContact O-N 3.32Å; D296-E300 WeakPolarHBondContact O-CG 3.27Å; D296-E300 PolarHBondContact O-N 2.94Å
297R96.7Very high95.6Very high174 Ų174100.7 Ų100.766%0.65750%0.498SS*.Hα-helixtrans-59.7-44.9170.9-74.3173.3-171.9-174.33.4112.9S293 Q294 E300 Q301S293-R297 VanDerWaalsContact O-CG 3.3Å; S293-R297 WeakPolarHBondContact O-CG 3.39Å; S293-R297 PolarHBondContact O-N 3.44Å; Q294-R297 WeakPolarHBondContact O-CB 3.42Å; Q294-R297 PolarHBondContact O-N 3.49Å; R297-E300 PolarHBondContact O-N 3.47Å; R297-Q301 WeakPolarHBondContact O-CB 3.17Å; R297-Q301 PolarHBondContact O-N 2.86Å
298Y96.6Very high95.9Very high113 Ų11398.7 Ų98.744%0.44349%0.491SS..Hα-helixtrans-62.7-43.8176-71.1-53.9000111.4Q294 M295 D296 E300 Q301 Y302Q294-Y298 HydrophobicContact CG-CD2 4.11Å; Q294-Y298 HydrophobicContact CG-CE2 3.56Å; Q294-Y298 PolarHBondContact NE2-OH 3.49Å; Q294-Y298 VanDerWaalsContact O-CD2 3.25Å; Q294-Y298 WeakPolarHBondContact O-CD2 3.47Å; Q294-Y298 PolarHBondContact O-N 3.05Å; M295-Y298 PolarHBondContact O-N 3.31Å; D296-Y298 PolarHBondContact O-N 3.31Å; Y298-E300 PolarHBondContact O-N 3.06Å; Y298-Q301 WeakPolarHBondContact O-CB 3.46Å; Y298-Q301 PolarHBondContact O-N 3.49Å; Y298-Q301 VanDerWaalsContact O-N 3.11Å; Y298-Y302 WeakPolarHBondContact O-CD2 3.33Å; Y298-Y302 PolarHBondContact O-N 3.35Å
299R95.9Very high96.2Very high149 Ų14998.1 Ų98.156%0.56249%0.488SS*.Hα-helixtrans-56-49.5174.9-76.2174.4170.8-163.9-4.7111.6M295 D296 Q301 Y302 T303M295-R299 WeakPolarHBondContact O-CG 3.25Å; M295-R299 PolarHBondContact O-N 3.34Å; D296-R299 WeakPolarHBondContact O-CB 3.49Å; D296-R299 PolarHBondContact O-N 3.32Å; R299-Q301 VanDerWaalsContact C-N 3.31Å; R299-Q301 PolarHBondContact O-N 3.42Å; R299-Y302 PolarHBondContact O-N 2.91Å; R299-T303 PolarHBondContact O-N 2.92Å; R299-T303 PolarHBondContact O-OG1 3.24Å; R299-T303 VanDerWaalsContact O-OG1 3.06Å
300E96.5Very high96.4Very high93 Ų93100.9 Ų100.944%0.43549%0.491SS..Hα-helixtrans-62.2-37175.8-64.7177.8-170.500112.7D296 R297 Y298 T303 R304D296-E300 WeakPolarHBondContact O-CG 3.27Å; D296-E300 PolarHBondContact O-N 2.94Å; R297-E300 PolarHBondContact O-N 3.47Å; Y298-E300 PolarHBondContact O-N 3.06Å; E300-T303 PolarHBondContact O-N 2.93Å; E300-R304 WeakPolarHBondContact O-CB 3.02Å; E300-R304 VanDerWaalsContact O-CG 3.27Å; E300-R304 WeakPolarHBondContact O-CG 3.43Å; E300-R304 PolarHBondContact O-N 2.88Å; E300-R304 IonicContact OE2-CZ 2.87Å; E300-R304 VanDerWaalsContact OE2-CZ 3.23Å; E300-R304 IonicContact OE2-NH1 3.73Å; E300-R304 PolarHBondContact OE2-NH1 3.44Å; E300-R304 IonicContact OE2-NH2 3.79Å; E300-R304 PolarHBondContact OE2-NH2 3.06Å
301Q97.2Very high96.5Very high122 Ų122104.2 Ų104.257%0.5750%0.498SS*.Hα-helixtrans-63.1-43.3175.5-175179.5-4.100111.3R297 Y298 R299 R304 S305R297-Q301 WeakPolarHBondContact O-CB 3.17Å; R297-Q301 PolarHBondContact O-N 2.86Å; Y298-Q301 WeakPolarHBondContact O-CB 3.46Å; Y298-Q301 PolarHBondContact O-N 3.49Å; Y298-Q301 VanDerWaalsContact O-N 3.11Å; R299-Q301 VanDerWaalsContact C-N 3.31Å; R299-Q301 PolarHBondContact O-N 3.42Å; Q301-R304 PolarHBondContact O-N 3.42Å; Q301-S305 WeakPolarHBondContact O-CB 3.43Å; Q301-S305 PolarHBondContact O-N 3.02Å
302Y97.1Very high96.6Very high169 Ų169104 Ų10466%0.66350%0.497SS*.Hα-helixtrans-62.8-43.7172.9-68.7-60.2000111.8Y298 R299 R304 S305 L306Y298-Y302 WeakPolarHBondContact O-CD2 3.33Å; Y298-Y302 PolarHBondContact O-N 3.35Å; R299-Y302 PolarHBondContact O-N 2.91Å; Y302-R304 PolarHBondContact O-N 3.38Å; Y302-S305 PolarHBondContact O-N 3.3Å; Y302-L306 WeakPolarHBondContact O-CB 3.33Å; Y302-L306 PolarHBondContact O-N 2.98Å
303T96.9Very high96.8Very high96 Ų96102 Ų10259%0.58950%0.497SS*.Hα-helixtrans-61.7-43.6176.2-54.80000112.2R299 E300 L306 A307R299-T303 PolarHBondContact O-N 2.92Å; R299-T303 PolarHBondContact O-OG1 3.24Å; R299-T303 VanDerWaalsContact O-OG1 3.06Å; E300-T303 PolarHBondContact O-N 2.93Å; T303-L306 PolarHBondContact O-N 3.4Å; T303-A307 PolarHBondContact O-N 3.11Å
304R97.5Very high96.8Very high158 Ų158103.7 Ų103.760%0.59650%0.502SS*.Hα-helixtrans-62.7-42.7175.1-72.5174.4-172.4110.37.5111.9E300 Q301 Y302 A308E300-R304 WeakPolarHBondContact O-CB 3.02Å; E300-R304 VanDerWaalsContact O-CG 3.27Å; E300-R304 WeakPolarHBondContact O-CG 3.43Å; E300-R304 PolarHBondContact O-N 2.88Å; E300-R304 IonicContact OE2-CZ 2.87Å; E300-R304 VanDerWaalsContact OE2-CZ 3.23Å; E300-R304 IonicContact OE2-NH1 3.73Å; E300-R304 PolarHBondContact OE2-NH1 3.44Å; E300-R304 IonicContact OE2-NH2 3.79Å; E300-R304 PolarHBondContact OE2-NH2 3.06Å; Q301-R304 PolarHBondContact O-N 3.42Å; Y302-R304 PolarHBondContact O-N 3.38Å; R304-A308 WeakPolarHBondContact O-CB 3.42Å; R304-A308 PolarHBondContact O-N 3.29Å
305S97.6Very high96.9Very high62 Ų62103.8 Ų103.843%0.43450%0.502SS..Hα-helixtrans-64.5-42.4177.5-169.50000111.9Q301 Y302 A308 L309Q301-S305 WeakPolarHBondContact O-CB 3.43Å; Q301-S305 PolarHBondContact O-N 3.02Å; Y302-S305 PolarHBondContact O-N 3.3Å; S305-A308 PolarHBondContact O-N 3.37Å; S305-L309 WeakPolarHBondContact O-CG 3.46Å; S305-L309 PolarHBondContact O-N 3.5Å
306L97.6Very high97Very high98 Ų98106.2 Ų106.251%0.51351%0.512SS..Hα-helixtrans-64.1-46.3177.9-172.5138.9000111.6Y302 T303 A308 L309 E310Y302-L306 WeakPolarHBondContact O-CB 3.33Å; Y302-L306 PolarHBondContact O-N 2.98Å; T303-L306 PolarHBondContact O-N 3.4Å; L306-A308 VanDerWaalsContact C-N 3.31Å; L306-A308 PolarHBondContact O-N 3.36Å; L306-L309 PolarHBondContact O-N 2.89Å; L306-E310 HydrophobicContact CD2-CG 4.32Å; L306-E310 WeakPolarHBondContact O-CG 3.45Å; L306-E310 PolarHBondContact O-N 3.19Å
307A97.3Very high97Very high50 Ų50110.4 Ų110.441%0.41352%0.524SS..Hα-helixtrans-61.6-36.9175.100000112.8T303 E310 Q311T303-A307 PolarHBondContact O-N 3.11Å; A307-E310 PolarHBondContact O-N 2.85Å; A307-Q311 WeakPolarHBondContact O-CB 3.44Å; A307-Q311 PolarHBondContact O-N 2.96Å
308A97.6Very high97Very high46 Ų46109 Ų10938%0.3852%0.523SS..Hα-helixtrans-67.2-39.4174.900000112.4R304 S305 L306 Q311 Q312R304-A308 WeakPolarHBondContact O-CB 3.42Å; R304-A308 PolarHBondContact O-N 3.29Å; S305-A308 PolarHBondContact O-N 3.37Å; L306-A308 VanDerWaalsContact C-N 3.31Å; L306-A308 PolarHBondContact O-N 3.36Å; A308-Q311 PolarHBondContact O-N 2.66Å; A308-Q312 WeakPolarHBondContact O-CG 3.41Å; A308-Q312 PolarHBondContact O-N 2.91Å
309L97.7Very high96.9Very high98 Ų98109.1 Ų109.151%0.51352%0.523SS..Hα-helixtrans-66-42.2174.3-76.1162.3000111.8S305 L306 Q311 Q312 C313S305-L309 WeakPolarHBondContact O-CG 3.46Å; S305-L309 PolarHBondContact O-N 3.5Å; L306-L309 PolarHBondContact O-N 2.89Å; L309-Q311 PolarHBondContact O-N 3.18Å; L309-Q312 PolarHBondContact O-N 3.37Å; L309-C313 PolarHBondContact O-N 3.19Å; L309-C313 PolarHBondContact O-SG 3.36Å; L309-C313 VanDerWaalsContact O-SG 3.34Å
310E96.5Very high96.9Very high116 Ų116104.7 Ų104.754%0.54252%0.518SS..Hα-helixtrans-60-45.2173.7-72.9177.715200111.5L306 A307 Q312 C313 D314L306-E310 HydrophobicContact CD2-CG 4.32Å; L306-E310 WeakPolarHBondContact O-CG 3.45Å; L306-E310 PolarHBondContact O-N 3.19Å; A307-E310 PolarHBondContact O-N 2.85Å; E310-Q312 VanDerWaalsContact C-N 3.34Å; E310-Q312 PolarHBondContact O-N 2.91Å; E310-C313 WeakPolarHBondContact O-CB 3.4Å; E310-C313 PolarHBondContact O-N 2.91Å; E310-D314 PolarHBondContact O-N 3.43Å
311Q97.4Very high96.8Very high147 Ų147107.1 Ų107.169%0.68753%0.527SS*.Hα-helixtrans-59.9-42.2175.4-173.8-179.26.400111.9A307 A308 L309 D314 E315A307-Q311 WeakPolarHBondContact O-CB 3.44Å; A307-Q311 PolarHBondContact O-N 2.96Å; A308-Q311 PolarHBondContact O-N 2.66Å; L309-Q311 PolarHBondContact O-N 3.18Å; Q311-D314 PolarHBondContact O-N 3.25Å; Q311-E315 WeakPolarHBondContact O-CB 3.44Å; Q311-E315 PolarHBondContact O-N 3.34Å
312Q97.6Very high96.7Very high112 Ų112105.5 Ų105.552%0.52352%0.52SS..Hα-helixtrans-62.9-45174.3-74.5-178-200111.5A308 L309 E310 D314 E315 H316A308-Q312 WeakPolarHBondContact O-CG 3.41Å; A308-Q312 PolarHBondContact O-N 2.91Å; L309-Q312 PolarHBondContact O-N 3.37Å; E310-Q312 VanDerWaalsContact C-N 3.34Å; E310-Q312 PolarHBondContact O-N 2.91Å; Q312-D314 VanDerWaalsContact C-N 3.31Å; Q312-D314 PolarHBondContact O-N 3.01Å; Q312-E315 PolarHBondContact O-N 2.99Å; Q312-H316 PolarHBondContact O-CD2 3.39Å; Q312-H316 PolarHBondContact O-N 3.29Å
313C96.9Very high96.6Very high72 Ų72103.1 Ų103.149%0.48652%0.518SS..Hα-helixtrans-58.1-42.2175.4-70.90000112.3L309 E310 R317L309-C313 PolarHBondContact O-N 3.19Å; L309-C313 PolarHBondContact O-SG 3.36Å; L309-C313 VanDerWaalsContact O-SG 3.34Å; E310-C313 WeakPolarHBondContact O-CB 3.4Å; E310-C313 PolarHBondContact O-N 2.91Å; C313-R317 VanDerWaalsContact O-CB 3.22Å; C313-R317 WeakPolarHBondContact O-CB 3.34Å; C313-R317 PolarHBondContact O-N 3.34Å
314D96.5Very high96.5Very high89 Ų89105.1 Ų105.148%0.47652%0.518SS..Hα-helixtrans-68.3-36.3175.7-91.7-27.3000113.1E310 Q311 Q312 R317 K318E310-D314 PolarHBondContact O-N 3.43Å; Q311-D314 PolarHBondContact O-N 3.25Å; Q312-D314 VanDerWaalsContact C-N 3.31Å; Q312-D314 PolarHBondContact O-N 3.01Å; D314-R317 PolarHBondContact O-N 3.5Å; D314-R317 IonicContact OD1-CZ 2.66Å; D314-R317 IonicContact OD1-NH1 3.26Å; D314-R317 PolarHBondContact OD1-NH1 3.45Å; D314-K318 WeakPolarHBondContact O-CB 3.41Å; D314-K318 PolarHBondContact O-N 3.41Å
315E96.9Very high96.2Very high94 Ų94100.5 Ų100.544%0.43951%0.51SS..Hα-helixtrans-68.4-42.3176-149.9-166.3-168.600111.7Q311 Q312 K318 R319Q311-E315 WeakPolarHBondContact O-CB 3.44Å; Q311-E315 PolarHBondContact O-N 3.34Å; Q312-E315 PolarHBondContact O-N 2.99Å; E315-K318 PolarHBondContact O-N 2.93Å; E315-R319 WeakPolarHBondContact O-CG 3.22Å; E315-R319 PolarHBondContact O-N 3.26Å; E315-R319 IonicContact OE1-CZ 2.79Å; E315-R319 IonicContact OE1-NH1 2.62Å; E315-R319 IonicContact OE1-NH2 3.7Å; E315-R319 PolarHBondContact OE1-NH2 2.69Å; E315-R319 IonicContact OE2-CZ 2.99Å; E315-R319 VanDerWaalsContact OE2-CZ 3.26Å; E315-R319 IonicContact OE2-NH1 3.52Å; E315-R319 PolarHBondContact OE2-NH1 2.79Å; E315-R319 IonicContact OE2-NH2 2.69Å; E315-R319 PolarHBondContact OE2-NH2 3.43Å
316H96.3Very high96.1Very high124 Ų124102.8 Ų102.857%0.57451%0.512SS*.Hα-helixtrans-60.4-43.6170.6-79.9-72.3000111.7Q312 K318 R319 A320Q312-H316 PolarHBondContact O-CD2 3.39Å; Q312-H316 PolarHBondContact O-N 3.29Å; H316-K318 VanDerWaalsContact C-N 3.33Å; H316-K318 PolarHBondContact O-N 3.37Å; H316-R319 PolarHBondContact O-N 2.81Å; H316-A320 WeakPolarHBondContact O-CB 3.44Å; H316-A320 PolarHBondContact O-N 3.44Å
317R96.6Very high95.8Very high137 Ų137101 Ų10152%0.51751%0.509SS..Hα-helixtrans-62.7-36.9175.4-175.4-178-69.8140.7-4.4112C313 D314 K321C313-R317 VanDerWaalsContact O-CB 3.22Å; C313-R317 WeakPolarHBondContact O-CB 3.34Å; C313-R317 PolarHBondContact O-N 3.34Å; D314-R317 PolarHBondContact O-N 3.5Å; D314-R317 IonicContact OD1-CZ 2.66Å; D314-R317 IonicContact OD1-NH1 3.26Å; D314-R317 PolarHBondContact OD1-NH1 3.45Å; R317-K321 WeakPolarHBondContact O-CG 3.42Å; R317-K321 PolarHBondContact O-N 2.91Å; R317-K321 VanDerWaalsContact O-N 3.12Å
318K96.6Very high95.5Very high145 Ų145103.7 Ų103.763%0.6351%0.512SS*.Hα-helixtrans-68.3-48.7174.6-173.6-179.8178.1-176.10111.5D314 E315 H316 A320 K321 E322D314-K318 WeakPolarHBondContact O-CB 3.41Å; D314-K318 PolarHBondContact O-N 3.41Å; E315-K318 PolarHBondContact O-N 2.93Å; H316-K318 VanDerWaalsContact C-N 3.33Å; H316-K318 PolarHBondContact O-N 3.37Å; K318-A320 VanDerWaalsContact C-N 3.3Å; K318-A320 PolarHBondContact O-N 2.88Å; K318-K321 PolarHBondContact O-N 2.88Å; K318-K321 VanDerWaalsContact O-N 3.17Å; K318-E322 PolarHBondContact O-N 3.38Å
319R95.2Very high95.2Very high114 Ų114107.4 Ų107.443%0.4352%0.521SS..Hα-helixtrans-57.2-42174.7-72.4-178.2-178.1102.17.1111.8E315 H316 E322 L323E315-R319 WeakPolarHBondContact O-CG 3.22Å; E315-R319 PolarHBondContact O-N 3.26Å; E315-R319 IonicContact OE1-CZ 2.79Å; E315-R319 IonicContact OE1-NH1 2.62Å; E315-R319 IonicContact OE1-NH2 3.7Å; E315-R319 PolarHBondContact OE1-NH2 2.69Å; E315-R319 IonicContact OE2-CZ 2.99Å; E315-R319 VanDerWaalsContact OE2-CZ 3.26Å; E315-R319 IonicContact OE2-NH1 3.52Å; E315-R319 PolarHBondContact OE2-NH1 2.79Å; E315-R319 IonicContact OE2-NH2 2.69Å; E315-R319 PolarHBondContact OE2-NH2 3.43Å; H316-R319 PolarHBondContact O-N 2.81Å; R319-E322 PolarHBondContact O-N 2.93Å; R319-L323 WeakPolarHBondContact O-CB 3.35Å; R319-L323 WeakPolarHBondContact O-CG 3.34Å; R319-L323 PolarHBondContact O-N 3.17Å
320A95Very high94.9Very high57 Ų57108.2 Ų108.247%0.47153%0.526SS..Hα-helixtrans-63.4-42.1176.100000112.8H316 K318 K324H316-A320 WeakPolarHBondContact O-CB 3.44Å; H316-A320 PolarHBondContact O-N 3.44Å; K318-A320 VanDerWaalsContact C-N 3.3Å; K318-A320 PolarHBondContact O-N 2.88Å; A320-K324 WeakPolarHBondContact O-CB 3.31Å; A320-K324 PolarHBondContact O-N 3.35Å
321K95.1Very high94.4Very high144 Ų144106.5 Ų106.563%0.62652%0.521SS*.Hα-helixtrans-62.9-42.5173.6-73.9172.2179.7179.50111.9R317 K318 K324 S325R317-K321 WeakPolarHBondContact O-CG 3.42Å; R317-K321 PolarHBondContact O-N 2.91Å; R317-K321 VanDerWaalsContact O-N 3.12Å; K318-K321 PolarHBondContact O-N 2.88Å; K318-K321 VanDerWaalsContact O-N 3.17Å; K321-K324 PolarHBondContact O-N 3.14Å; K321-S325 PolarHBondContact O-N 3.36Å
322E94.9Very high93.9Very high88 Ų88104.3 Ų104.341%0.41151%0.513SS..Hα-helixtrans-67.3-42.9178.5-170.3-174.1154.700112.4K318 R319 K324 S325 K326K318-E322 PolarHBondContact O-N 3.38Å; R319-E322 PolarHBondContact O-N 2.93Å; E322-K324 VanDerWaalsContact C-N 3.3Å; E322-K324 PolarHBondContact O-N 3.33Å; E322-S325 PolarHBondContact O-N 3.44Å; E322-S325 PolarHBondContact O-OG 2.89Å; E322-K326 HydrophobicContact CG-CD 4.37Å; E322-K326 WeakPolarHBondContact O-CB 3.37Å; E322-K326 WeakPolarHBondContact O-CG 3.39Å; E322-K326 PolarHBondContact O-N 3.12Å; E322-K326 WeakPolarHBondContact OE1-CE 3.38Å; E322-K326 IonicContact OE1-NZ 2.72Å; E322-K326 PolarHBondContact OE1-NZ 2.98Å
323L94.4Very high93.4Very high118 Ų118101.9 Ų101.962%0.61851%0.506SS*.Hα-helixtrans-61.4-39.4172.6-76.3166000111.4R319 S327R319-L323 WeakPolarHBondContact O-CB 3.35Å; R319-L323 WeakPolarHBondContact O-CG 3.34Å; R319-L323 PolarHBondContact O-N 3.17Å; L323-S327 VanDerWaalsContact O-CB 3.25Å; L323-S327 WeakPolarHBondContact O-CB 3.14Å; L323-S327 PolarHBondContact O-N 2.91Å
324K94.4Very high92.6Very high138 Ų138103.7 Ų103.760%0.651%0.51SS*.Hα-helixtrans-64.5-43174.9-170.4173-177.5175.80112A320 K321 E322 S327 Q328A320-K324 WeakPolarHBondContact O-CB 3.31Å; A320-K324 PolarHBondContact O-N 3.35Å; K321-K324 PolarHBondContact O-N 3.14Å; E322-K324 VanDerWaalsContact C-N 3.3Å; E322-K324 PolarHBondContact O-N 3.33Å; K324-S327 PolarHBondContact O-N 2.96Å; K324-Q328 WeakPolarHBondContact O-CB 3.44Å; K324-Q328 VanDerWaalsContact O-CG 3.31Å; K324-Q328 WeakPolarHBondContact O-CG 3.35Å; K324-Q328 PolarHBondContact O-N 2.86Å
325S92.7Very high91.4Very high62 Ų62105.3 Ų105.343%0.43452%0.517SS..Hα-helixtrans-68.8-39.3177.468.40000112.5K321 E322 Q328 H329K321-S325 PolarHBondContact O-N 3.36Å; E322-S325 PolarHBondContact O-N 3.44Å; E322-S325 PolarHBondContact O-OG 2.89Å; S325-Q328 PolarHBondContact O-N 2.62Å; S325-H329 WeakPolarHBondContact O-CB 3.25Å; S325-H329 PolarHBondContact O-N 3.27Å
326K95.2Very high89.9Confident109 Ų109107.7 Ų107.747%0.47453%0.532SS..Hα-helixtrans-61.7-45172-73175.8-177.2172.70111.7E322 H329 L330E322-K326 HydrophobicContact CG-CD 4.37Å; E322-K326 WeakPolarHBondContact O-CB 3.37Å; E322-K326 WeakPolarHBondContact O-CG 3.39Å; E322-K326 PolarHBondContact O-N 3.12Å; E322-K326 WeakPolarHBondContact OE1-CE 3.38Å; E322-K326 IonicContact OE1-NZ 2.72Å; E322-K326 PolarHBondContact OE1-NZ 2.98Å; K326-H329 PolarHBondContact O-N 2.85Å; K326-L330 WeakPolarHBondContact O-CG 3.42Å; K326-L330 PolarHBondContact O-N 3.33Å
327S90.9Very high88.3Confident62 Ų62107.6 Ų107.643%0.43454%0.535SS..Hα-helixtrans-63-41.4175.2179.80000112.2L323 K324 L330 N331L323-S327 VanDerWaalsContact O-CB 3.25Å; L323-S327 WeakPolarHBondContact O-CB 3.14Å; L323-S327 PolarHBondContact O-N 2.91Å; K324-S327 PolarHBondContact O-N 2.96Å; S327-L330 PolarHBondContact O-N 2.87Å; S327-N331 WeakPolarHBondContact O-CB 3.38Å; S327-N331 PolarHBondContact O-N 2.87Å; S327-N331 PolarHBondContact O-ND2 3.36Å
328Q90.9Very high86.3Confident106 Ų106105.4 Ų105.450%0.49554%0.537SS..Hα-helixtrans-63.5-41.4173-76.8175.3-27.400112K324 S325 N331 N332K324-Q328 WeakPolarHBondContact O-CB 3.44Å; K324-Q328 VanDerWaalsContact O-CG 3.31Å; K324-Q328 WeakPolarHBondContact O-CG 3.35Å; K324-Q328 PolarHBondContact O-N 2.86Å; S325-Q328 PolarHBondContact O-N 2.62Å; Q328-N331 PolarHBondContact O-N 3.47Å; Q328-N332 PolarHBondContact O-N 2.83Å; Q328-N332 PolarHBondContact O-ND2 2.92Å
329H91.6Very high84.4Confident123 Ų123103.9 Ų103.957%0.56954%0.542SS*.Hα-helixtrans-62.5-46.5175.3-178.368000111.4S325 K326 N331 N332 V333S325-H329 WeakPolarHBondContact O-CB 3.25Å; S325-H329 PolarHBondContact O-N 3.27Å; K326-H329 PolarHBondContact O-N 2.85Å; H329-N331 PolarHBondContact O-N 3.29Å; H329-N332 PolarHBondContact O-N 3.23Å; H329-V333 WeakPolarHBondContact O-CG2 3.29Å; H329-V333 PolarHBondContact O-N 3.39Å
330L91.3Very high82.4Confident116 Ų116102.9 Ų102.961%0.60756%0.558SS**Hα-helixtrans-61.6-40.3175.4-70.6172000112.5K326 S327 V333 L334K326-L330 WeakPolarHBondContact O-CG 3.42Å; K326-L330 PolarHBondContact O-N 3.33Å; S327-L330 PolarHBondContact O-N 2.87Å; L330-V333 PolarHBondContact O-N 3.35Å; L330-L334 VanDerWaalsContact O-CB 3.29Å; L330-L334 WeakPolarHBondContact O-CB 3.42Å; L330-L334 PolarHBondContact O-N 3.43Å
331N86.9Confident80.2Confident80 Ų80106.2 Ų106.243%0.42858%0.575SS.*Hα-helixtrans-63.6-43.3173.9-86-84.1000111.9S327 Q328 H329 L334 M335S327-N331 WeakPolarHBondContact O-CB 3.38Å; S327-N331 PolarHBondContact O-N 2.87Å; S327-N331 PolarHBondContact O-ND2 3.36Å; Q328-N331 PolarHBondContact O-N 3.47Å; H329-N331 PolarHBondContact O-N 3.29Å; N331-L334 PolarHBondContact O-N 2.89Å; N331-M335 WeakPolarHBondContact O-CB 3.45Å; N331-M335 VanDerWaalsContact O-CG 3.24Å; N331-M335 WeakPolarHBondContact O-CG 3.24Å; N331-M335 PolarHBondContact O-N 2.87Å
332N86.3Confident78.4Confident100 Ų100104.5 Ų104.554%0.53558%0.581SS.*Hα-helixtrans-64.1-41.9175.6-75.5-58.8000112Q328 H329 M335 N336Q328-N332 PolarHBondContact O-N 2.83Å; Q328-N332 PolarHBondContact O-ND2 2.92Å; H329-N332 PolarHBondContact O-N 3.23Å; N332-M335 PolarHBondContact O-N 2.86Å; N332-N336 WeakPolarHBondContact O-CB 3.49Å; N332-N336 VanDerWaalsContact O-CG 3.31Å; N332-N336 PolarHBondContact O-N 2.87Å; N332-N336 PolarHBondContact O-OD1 3.49Å
333V86.8Confident76.3Confident61 Ų61105.9 Ų105.937%0.3760%0.598SS.*Hα-helixtrans-62.5-42.4174.4170.20000111H329 L330 N336 L337H329-V333 WeakPolarHBondContact O-CG2 3.29Å; H329-V333 PolarHBondContact O-N 3.39Å; L330-V333 PolarHBondContact O-N 3.35Å; V333-N336 PolarHBondContact O-N 3.22Å; V333-L337 HydrophobicContact CG1-CD1 3.87Å; V333-L337 VanDerWaalsContact O-CG 3.3Å; V333-L337 WeakPolarHBondContact O-CG 3.34Å; V333-L337 PolarHBondContact O-N 2.95Å
334L79.6Confident74.3Confident111 Ų111106.3 Ų106.358%0.58161%0.608SS**Hα-helixtrans-63.7-42.1176.6-175.762.6000112L330 N331 N336 L337 T338L330-L334 VanDerWaalsContact O-CB 3.29Å; L330-L334 WeakPolarHBondContact O-CB 3.42Å; L330-L334 PolarHBondContact O-N 3.43Å; N331-L334 PolarHBondContact O-N 2.89Å; L334-N336 VanDerWaalsContact C-N 3.34Å; L334-N336 PolarHBondContact O-N 3.29Å; L334-L337 CarbonylContact O-C 3.51Å; L334-L337 PolarHBondContact O-N 3.27Å; L334-L337 VanDerWaalsContact O-N 3.14Å; L334-T338 PolarHBondContact O-N 3.41Å
335M70.8Confident72.3Confident123 Ų123104.7 Ų104.761%0.60662%0.62SS**Hα-helixtrans-64.6-37.4175.3-69.7-67.2162.800111.9N331 N332 L337 T338N331-M335 WeakPolarHBondContact O-CB 3.45Å; N331-M335 VanDerWaalsContact O-CG 3.24Å; N331-M335 WeakPolarHBondContact O-CG 3.24Å; N331-M335 PolarHBondContact O-N 2.87Å; N332-M335 PolarHBondContact O-N 2.86Å; M335-L337 PolarHBondContact O-N 3.41Å; M335-T338 WeakPolarHBondContact O-CB 3.4Å; M335-T338 PolarHBondContact O-N 3.46Å; M335-T338 PolarHBondContact O-OG1 2.84Å
336N66.5Low70.3Confident143 Ų143106.5 Ų106.577%0.76564%0.639SS**Hα-helixtrans-72.9-14.2175-71.417.2000113.7N332 V333 L334N332-N336 WeakPolarHBondContact O-CB 3.49Å; N332-N336 VanDerWaalsContact O-CG 3.31Å; N332-N336 PolarHBondContact O-N 2.87Å; N332-N336 PolarHBondContact O-OD1 3.49Å; V333-N336 PolarHBondContact O-N 3.22Å; L334-N336 VanDerWaalsContact C-N 3.34Å; L334-N336 PolarHBondContact O-N 3.29Å
337L61.9Low68Low123 Ų123111 Ų11164%0.64466%0.658SS**THydrogen-bonded Turntrans-98.54.9174.4-71.1169.3000113V333 L334 M335 P339V333-L337 HydrophobicContact CG1-CD1 3.87Å; V333-L337 VanDerWaalsContact O-CG 3.3Å; V333-L337 WeakPolarHBondContact O-CG 3.34Å; V333-L337 PolarHBondContact O-N 2.95Å; L334-L337 CarbonylContact O-C 3.51Å; L334-L337 PolarHBondContact O-N 3.27Å; L334-L337 VanDerWaalsContact O-N 3.14Å; M335-L337 PolarHBondContact O-N 3.41Å; L337-P339 WeakPolarHBondContact O-CD 3.3Å
338T54.8Low66.2Low91 Ų91119.8 Ų119.856%0.55868%0.682SS**PPolyproline II helixtrans-60.4121.2177.9-47.90000109.8L334 M335 A340L334-T338 PolarHBondContact O-N 3.41Å; M335-T338 WeakPolarHBondContact O-CB 3.4Å; M335-T338 PolarHBondContact O-N 3.46Å; M335-T338 PolarHBondContact O-OG1 2.84Å; T338-A340 PolarHBondContact O-N 3.37Å
339P56.1Low63.9Low113 Ų113120.4 Ų120.473%0.73470%0.695SS**PPolyproline II helixtrans-61.6138.9-178.5-23.934.3000112L337L337-P339 WeakPolarHBondContact O-CD 3.3Å
340A53.7Low61.6Low92 Ų92126.4 Ų126.476%0.7671%0.713SS**PPolyproline II helixtrans-57.3138.7174.200000110.7T338 S342T338-A340 PolarHBondContact O-N 3.37Å; A340-S342 PolarHBondContact O-N 2.69Å
341P49.6Very low59.4Low127 Ų127128.7 Ų128.783%0.82573%0.725SS**PPolyproline II helixtrans-64.5132.4-175.225.7-34000111.3
342S56.5Low57.2Low109 Ų109131.9 Ų131.976%0.76275%0.747SS**PPolyproline II helixtrans-70.5146174.749.70000111.4A340A340-S342 PolarHBondContact O-N 2.69Å
343P52.4Low54.8Low116 Ų116138.5 Ų138.575%0.75377%0.765SS**PPolyproline II helixtrans-68.3153.2-178.627.8-34.6000112.1
344P51.6Low52.5Low128 Ų128139.8 Ų139.883%0.83178%0.782SS**PPolyproline II helixtrans-70149.1-168.428-35.5000113.6A346P344-A346 PolarHBondContact O-N 3.37Å
345A51.8Low50.5Low104 Ų104141.4 Ų141.486%0.8680%0.796SS**PPolyproline II helixtrans-65.2128-170.400000114.3
346A50.6Low48.9Very low99 Ų99141 Ų14182%0.81881%0.806SS**PPolyproline II helixtrans-79.1151.2165.400000111.6P344P344-A346 PolarHBondContact O-N 3.37Å
347K48.1Very low47.4Very low204 Ų204137.6 Ų137.689%0.88780%0.804SS**PPolyproline II helixtrans-69.4139.8-166.5-61.8168.2-1771740112.7
348R52.8Low47Very low247 Ų247137.8 Ų137.893%0.93281%0.812SS**PPolyproline II helixtrans-60.2148.2176.1-61.9-179.5179.5-171.4-0.4112.7
349P41.8Very low46.1Very low119 Ų119138.3 Ų138.377%0.77383%0.826SS**  trans-121.8122.1147.233.6-22.2000113.6
350R44.5Very low45.1Very low248 Ų248137.3 Ų137.394%0.93683%0.828SS**  trans50.1131.6137.5-151.4170-173.7173.40.8122.4
351L45.3Very low44.4Very low164 Ų164139.1 Ų139.186%0.85983%0.829SS**  trans-57.2147.2173.2-67.9152.5000116.3
352T40Very low43.7Very low148 Ų148140.5 Ų140.591%0.90883%0.829SS**  trans-141.8167.3144.541.50000110.8
353R36.4Very low42.7Very low238 Ų238140.1 Ų140.190%0.89883%0.833SS**  trans-131.6135.7-147.1169.1179.9-178.9155.42.4114.4
354A36.8Very low41.9Very low88 Ų88141 Ų14173%0.72784%0.837SS**  trans53.6141150.200000122.7
355V38Very low41.7Very low146 Ų146140.6 Ų140.689%0.88583%0.834SS**  -152.1150.3120.2109.90000111.2
356S38.3Very low40.9Very low115 Ų115142.4 Ų142.480%0.80483%0.834SS**  trans-87.4141.4-177.5-45.20000111.5
357G35Very low40.3Very low71 Ų71146 Ų14673%0.73283%0.834SS**  103.7170.885.600000111.3
358P53.7Low39.6Very low126 Ų126143.5 Ų143.582%0.81883%0.829SS**  cis-139169.9-4.242.9-25.5000117.7
359A34.9Very low38.3Very low102 Ų102135.6 Ų135.684%0.84382%0.816SS**  trans57.6125.714100000124.7
360A35.3Very low37.9Very low93 Ų93137.8 Ų137.877%0.76982%0.82SS**  -158.3117.6124.900000113.9
361V39.8Very low38Very low130 Ų130131.3 Ų131.379%0.78881%0.81SS**  trans51.6110.1149.7-56.70000124.6
362N34.8Very low37.5Very low155 Ų155131.2 Ų131.283%0.82981%0.81SS**  63.2116122.7-66.211.1000125
363A35.3Very low37.2Very low102 Ų102129.3 Ų129.384%0.84380%0.803SS**  90.1114120.800000121.8
364T36.3Very low37Very low135 Ų135126 Ų12683%0.82880%0.798SS**  trans-83.6-177.2164.151.40000112.7
365P46Very low36.9Very low119 Ų119129.2 Ų129.277%0.77380%0.802SS**  cis-126.7169.9-28.726.9-6.7000113.1
366T34.4Very low36.5Very low141 Ų141127.8 Ų127.887%0.86580%0.798SS**  trans-95.1136.4178.4-35.70000113.2
367Q38.8Very low36.1Very low174 Ų174126 Ų12681%0.81380%0.798SS**  trans-147.5160.1167.2-87.7-70.7-000110
368I33.3Very low35.9Very low153 Ų153130.2 Ų130.279%0.78580%0.802SS**  trans85.2102.6166.2-46.5-175.4000119.6
369A26.3Very low34.7Very low80 Ų80130 Ų13066%0.66180%0.799SS**  41.5130.4128.700000125.5
370L31.7Very low34.4Very low165 Ų165131.3 Ų131.386%0.86480%0.797SS**  37.8159.8120.6-67.2160.3000121.7
371P47.9Very low34.1Very low112 Ų112131.7 Ų131.773%0.72780%0.8SS**  cis-141.1173.96.137.8-16.3000118.6
372L35.3Very low33.6Very low162 Ų162129.1 Ų129.185%0.84880%0.799SS**  trans36.7123.5138.8-163.672.4000123.1
373S32.2Very low33.3Very low108 Ų108126.4 Ų126.476%0.75580%0.798SS**  trans-162.7114.7147.7-80.20000115.2
374Q33.9Very low33.2Very low170 Ų170130.6 Ų130.679%0.79480%0.8SS**  57.4110.4128.3-61.9-171.9-31.900124.7
375L33.4Very low33Very low155 Ų155128.4 Ų128.481%0.81280%0.796SS**  58.8129121.4-78.4162000124.4
376S30Very low32.3Very low116 Ų116126.8 Ų126.881%0.81180%0.801SS**  trans83.1129.1140.7-61.10000121.6
377G30.8Very low31.9Very low77 Ų77124.6 Ų124.679%0.79479%0.792SS**  trans155.456.2157.900000121.8
378L28.8Very low31.5Very low159 Ų159126 Ų12683%0.83279%0.791SS**  trans41.4119.9146.9-69.3160.4000123.6
379T29.3Very low31.4Very low122 Ų122124.3 Ų124.375%0.74879%0.788SS**  trans63.4133.5138.863.40000120.3
380V28.7Very low31.8Very low130 Ų130128 Ų12879%0.78880%0.795SS**  -164.214263.71570000112
381A29.7Very low31.6Very low101 Ų101127.8 Ų127.884%0.83579%0.794SS**  trans31.5129.4156.200000123.5
382G28.4Very low30.8Very low76 Ų76128.2 Ų128.278%0.78480%0.795SS**  trans164.191.1155.600000117.9
383A29.8Very low30.3Very low97 Ų97125.9 Ų125.980%0.80279%0.792SS**  trans42.3122.7147.900000123.7
384Q32.3Very low30.6Very low190 Ų190125.8 Ų125.889%0.88879%0.789SS**  trans71135.8135-67.5-1594.700124.6
385A31.4Very low30.4Very low90 Ų90125.5 Ų125.574%0.74479%0.792SS**  trans65.490.613700000121.2
386G31.5Very low30.2Very low84 Ų84124.2 Ų124.287%0.86680%0.796SS**  50.3114.2118.500000121.2
387S26.1Very low30Very low96 Ų96122 Ų12267%0.67179%0.792SS**  trans-150.4154.9143.7-166.90000111
388Y31Very low30Very low203 Ų203124 Ų12480%0.79679%0.793SS**  trans-79150.4-177.743.3-90.7000112.2
389T31.6Very low29.9Very low118 Ų118124.2 Ų124.272%0.72479%0.79SS**  trans-104.4125.8176.6-44.20000110.6L391T389-L391 HydrophobicContact CG2-CG 4Å
390L35.2Very low29.9Very low157 Ų157126.3 Ų126.382%0.82280%0.796SS**  trans-94.5129.3158.7-70.5174.6000108.5
391L26.9Very low29.8Very low160 Ų160124.1 Ų124.184%0.83880%0.8SS**  trans-123.2113.4166.1-75.6178000111.3T389T389-L391 HydrophobicContact CG2-CG 4Å
392T29.9Very low29.9Very low122 Ų122124 Ų12475%0.74880%0.799SS**  trans-69.9149.1161.3158.90000110.8
393S26.6Very low29.9Very low113 Ų113128.4 Ų128.479%0.7981%0.805SS**  trans-175.1162.2132.9-84.60000113.8
394P37.1Very low29.9Very low106 Ų106127 Ų12769%0.68880%0.799SS**  trans-130.1170.7-147.542.5-27.7000118.7
395L31Very low30.2Very low163 Ų163123.6 Ų123.685%0.85380%0.796SS**  trans18.9138.3152.2-76.290000123.6
396S28.2Very low30.3Very low129 Ų129126.1 Ų126.190%0.90280%0.797SS**  -169.8147.6123.8-74.50000109.2
397G27Very low30.4Very low70 Ų70127.8 Ų127.872%0.72279%0.791SS**  cis165.5132.9-10.100000112.2
398S30.3Very low30.7Very low117 Ų117129 Ų12982%0.81879%0.794SS**  trans62.3137.4173.1-58.60000117.9
399E26.9Very low31Very low165 Ų165124.9 Ų124.977%0.77179%0.79SS**  -157.6140.965.4-82.1-85.681.600113.2
400L29Very low30.7Very low165 Ų165127 Ų12786%0.86480%0.796SS**  trans14130156.5-65.7160.3000122.9
401G26.7Very low30.5Very low84 Ų84124.6 Ų124.687%0.86679%0.792SS**  trans165.7100.2157.600000113.1
402A31.4Very low30.6Very low99 Ų99121.8 Ų121.882%0.81879%0.792SS**  trans-99.7142.5-176.700000112.5
403D27.9Very low30.6Very low169 Ų169120.6 Ų120.690%0.90480%0.795SS**  -166.7158.1126.9-125-34.8000113.7
404G31.2Very low30.9Very low67 Ų67122.3 Ų122.369%0.69180%0.801SS**  trans8197.415100000120.8
405S38.3Very low30.5Very low118 Ų118121 Ų12183%0.82581%0.807SS**  trans-51.2165.9149.6-45.10000111.9
406N32Very low30.6Very low143 Ų143123.3 Ų123.377%0.76581%0.813SS**  cis-161.9157.928.453.1-81000113.5
407V34.1Very low30.6Very low120 Ų120120.7 Ų120.773%0.72781%0.806SS**  trans-85151.7172.8172.20000111.3V409V407-V409 HydrophobicContact CG1-CG2 4.02Å
408T33.8Very low30.7Very low121 Ų121122.3 Ų122.374%0.74281%0.813SS**  trans-139.3120.2145.4-53.60000111.1
409V36.5Very low30.7Very low116 Ų116121.5 Ų121.570%0.70381%0.813SS**  trans-103.1140.7165.4174.10000107.5V407V407-V409 HydrophobicContact CG1-CG2 4.02Å
410L25.4Very low30.8Very low164 Ų164118.9 Ų118.986%0.85982%0.82SS**  trans-148.7123.8161.8-106.5165.8000111.7
411S30.4Very low30.7Very low105 Ų105114.4 Ų114.473%0.73481%0.814SS**  trans-101.4144.1172.7-57.90000110.7
412A28.9Very low30.9Very low101 Ų101116.4 Ų116.484%0.83581%0.814SS**  trans-172156.7156.100000109.4
413A29.9Very low31.5Very low98 Ų98115.8 Ų115.881%0.8182%0.817SS**  cis-164.2156.3-29.800000107.1
414T32.3Very low31.7Very low149 Ų149112.5 Ų112.591%0.91481%0.814SS**  trans-76139.5174.345.50000112.4
415G30.3Very low32.2Very low79 Ų79115.3 Ų115.381%0.81482%0.823SS**  trans-139.5139.4166.700000111.3
416Q33.4Very low32Very low210 Ų210112.8 Ų112.898%0.98182%0.816SS**  trans-111.7147.3179.6-71.2171.4-35.400110.4
417G27.8Very low32.2Very low74 Ų74111.7 Ų111.776%0.76382%0.819SS**  trans148.581.1158.700000118.9
418A29.1Very low32.3Very low105 Ų105114.8 Ų114.887%0.86882%0.823SS**  trans60140.5142.500000123.9
419A28.8Very low32.2Very low99 Ų99115.7 Ų115.782%0.81883%0.828SS**  trans91.4109.3147.900000121.2
420A29.3Very low31.8Very low111 Ų111118.3 Ų118.392%0.91783%0.83SS**  trans66124.1145.900000121.1
421G26.6Very low32.2Very low71 Ų71117 Ų11773%0.73283%0.829SS**  trans128.9101.2156.100000116
422S32.7Very low32.4Very low125 Ų125117 Ų11787%0.87482%0.824SS**  trans35.9123.6149.759.10000121.8
423G42.8Very low32.7Very low86 Ų86114.9 Ų114.989%0.88781%0.812SS**  trans77.191137.100000117.9
424A33.3Very low33.4Very low101 Ų101116.1 Ų116.184%0.83581%0.811SS**  trans-127.4105.2167.100000111G426A424-G426 PolarHBondContact O-N 2.89Å
425S39.7Very low34.1Very low126 Ų126117 Ų11788%0.88181%0.805SS**  trans-64.8124.2167.8-59.70000109.7S427S425-S427 PolarHBondContact O-N 3.32Å
426G34.1Very low34.3Very low65 Ų65123.5 Ų123.567%0.6781%0.811SS**  trans-67.5119.2179.600000112.1A424 F428A424-G426 PolarHBondContact O-N 2.89Å; G426-F428 PolarHBondContact O-N 3.06Å
427S37.4Very low34.3Very low120 Ų120122.4 Ų122.484%0.83981%0.807SS**  trans-74.7112.1173.150.30000110.9S425S425-S427 PolarHBondContact O-N 3.32Å
428F34.9Very low34.4Very low184 Ų184126.2 Ų126.281%0.80781%0.808SS**  trans-92123.7171.845.4-90.1000110.1G426G426-F428 PolarHBondContact O-N 3.06Å
429V32.3Very low34.5Very low140 Ų140126.5 Ų126.585%0.84880%0.799SS**  trans-86.6110.4169.7177.80000108.1
430K28.8Very low34.7Very low172 Ų172127 Ų12775%0.74879%0.792SS**  trans-113.3110.2172.7-166-174.6-179.5-1800109.5V432K430-V432 HydrophobicContact CD-CG2 3.82Å; K430-V432 HydrophobicContact CG-CG2 3.8Å
431V33.1Very low34.9Very low137 Ų137128.5 Ų128.583%0.8378%0.784SS**  trans-76.8125.9167.9176.80000107.9
432V34.7Very low35.4Very low105 Ų105131.1 Ų131.164%0.63679%0.788SS**  trans-133.2127.8176.4-1790000108.2K430K430-V432 HydrophobicContact CD-CG2 3.82Å; K430-V432 HydrophobicContact CG-CG2 3.8Å
433G35.6Very low35.1Very low56 Ų56132.5 Ų132.558%0.57779%0.785SS**  trans-75.3169.7175.400000113Q435G433-Q435 PolarHBondContact O-N 3.14Å
434P43.5Very low34.6Very low123 Ų123132.6 Ų132.680%0.79978%0.777SS**SBendtrans-79.4116.8-167.131.1-33.4000111.7
435Q47.8Very low34.4Very low169 Ų169134 Ų13479%0.7978%0.776SS**  trans163.964.4138.959.4-155.2-21.100114.4G433G433-Q435 PolarHBondContact O-N 3.14Å
436F34.3Very low34.2Very low214 Ų214136.4 Ų136.494%0.93977%0.773SS**  trans-149.8126.9155.3-74.8-68.9000110.1
437Q33.9Very low34Very low188 Ų188140.7 Ų140.788%0.87978%0.781SS**  trans-94108.1175-175.41731.100109.4
438L29Very low34.2Very low153 Ų153140.5 Ų140.580%0.80178%0.776SS**  trans-97.3109.3175.3-172.970.2000109.8T440L438-T440 PolarHBondContact O-N 3.3Å
439V31.5Very low33.8Very low112 Ų112136.5 Ų136.568%0.67978%0.778SS**  trans-80.7109.1168.2177.70000108.3L441V439-L441 HydrophobicContact CG1-CD1 4.06Å
440T33.7Very low33.7Very low108 Ų108136.5 Ų136.566%0.66378%0.778SS**  trans-107.2111.5173.1-55.40000109L438L438-T440 PolarHBondContact O-N 3.3Å
441L33.8Very low33.6Very low144 Ų144137.5 Ų137.575%0.75479%0.785SS**  trans-76.7139.4166-7686.2000109.4V439 L443V439-L441 HydrophobicContact CG1-CD1 4.06Å; L441-L443 PolarHBondContact O-N 3.49Å
442P36.2Very low33.4Very low125 Ų125140.1 Ų140.181%0.81279%0.788SS**  trans-73.7119176.529-32.9000111A444P442-A444 PolarHBondContact O-N 3.41Å
443L27.4Very low33.1Very low155 Ų155144.5 Ų144.581%0.81280%0.802SS**  trans-78.2108.9166.9-18063.6000109.1L441 T445L441-L443 PolarHBondContact O-N 3.49Å; L443-T445 PolarHBondContact O-N 3.46Å
444A31.3Very low32.7Very low88 Ų88147.2 Ų147.273%0.72781%0.806SS**  trans-73.4115.8171.700000110.4P442P442-A444 PolarHBondContact O-N 3.41Å
445T30.3Very low31.8Very low130 Ų130146.7 Ų146.780%0.79881%0.806SS**  trans-101.2108.416532.30000109.6L443L443-T445 PolarHBondContact O-N 3.46Å
446Q33.6Very low30.9Very low176 Ų176144.1 Ų144.182%0.82280%0.802SS**  trans-86.8130.6168.4-61.4-176.826.900109.8
447N30.3Very low30.4Very low156 Ų156140.7 Ų140.783%0.83480%0.798SS**  -169163.1129.1-1070.4000111.4
448P43.1Very low30Very low115 Ų115137.3 Ų137.375%0.74779%0.79SS**  -112157.3-125.339.9-37.4000115.2
449A25.6Very low30Very low101 Ų101136.1 Ų136.184%0.83579%0.789SS**  trans-168.2122.1139.100000112.3
450V29.6Very low29.8Very low140 Ų140136.4 Ų136.485%0.84879%0.791SS**  trans-45.5129.3173.2177.50000115.5
451Q27.9Very low29.4Very low193 Ų193138.8 Ų138.890%0.90280%0.8SS**  -172.5119119.3-108.3-178.7-19.500111.8
452Q28.9Very low29Very low192 Ų192135.1 Ų135.190%0.89779%0.79SS**  trans-134.5131.8168.1-172.8170.93.400109.6
453Q28.6Very low28.7Very low197 Ų197135.1 Ų135.192%0.92179%0.788SS**  trans-100128.8-178.9-139.4171.5-3.300111.2
454V27Very low28.6Very low112 Ų112134 Ų13468%0.67979%0.787SS**  trans-44.5142-176.9178.90000117.2T456V454-T456 HydrophobicContact CG1-CG2 3.58Å
455S24Very low28.4Very low113 Ų113136.7 Ų136.779%0.7980%0.795SS**  trans-173.284.2131.5-75.90000110.3
456T28.2Very low28.3Very low114 Ų114135.5 Ų135.570%0.69980%0.798SS**  57.6118.794.556.90000117.1V454V454-T456 HydrophobicContact CG1-CG2 3.58Å
457V24.6Very low28.1Very low143 Ų143131.5 Ų131.587%0.86780%0.795SS**  -145.6149.6111.2170.30000108.9
458T26.4Very low27.9Very low116 Ų116131 Ų13171%0.71279%0.793SS**  trans-72168.3-174.745.60000114
459V27.2Very low27.2Very low129 Ų129134 Ų13478%0.78280%0.797SS**  -154.211470.5171.20000111.4
460V27.6Very low27.4Very low118 Ų118136.5 Ų136.572%0.71580%0.795SS**  62.7104.2105.7-171.90000115
461D25.2Very low27.3Very low158 Ų158138.2 Ų138.285%0.84579%0.794SS**  81.714879.5-140.2-137.1000112.6
462A26.6Very low27.3Very low67 Ų67138.3 Ų138.355%0.55479%0.794SS**  cis-149.3172.25.700000107.9
463T29.1Very low27.3Very low124 Ų124136.1 Ų136.176%0.76179%0.794SS**  -165.9128.452.1410000110.7
464V25.4Very low27.3Very low132 Ų132132.2 Ų132.280%0.879%0.788SS**  62.9109.9102.8-178.40000117.1
465T28.3Very low27.4Very low145 Ų145135.9 Ų135.989%0.8980%0.798SS**  -157.9135.3117.930.20000109.7
466A27.1Very low27.8Very low104 Ų104137.5 Ų137.586%0.8680%0.803SS**  trans-147.4135.117200000110.7
467A29Very low27.9Very low93 Ų93139.8 Ų139.877%0.76981%0.811SS**  trans-178.7116.5161.100000103.4
468D27.7Very low28.1Very low146 Ų146136.8 Ų136.878%0.78181%0.809SS**  61.3103.555.9-150-58.2000112.3
469E26.9Very low28.3Very low177 Ų177140.2 Ų140.283%0.82782%0.817SS**  trans-160.5119134.2-109.7-166.5135.600111.8
470L29.9Very low28.5Very low153 Ų153142.8 Ų142.880%0.80182%0.82SS**  36.9156.9129.3-80.5160.2000124.8
471Q28.8Very low28.7Very low177 Ų177146.6 Ų146.683%0.82783%0.83SS**  trans-112.9121.2-170.9166.7-169.511.700110
472E26.2Very low28.9Very low194 Ų194143 Ų14391%0.90783%0.831SS**  trans-149.3136.3155.2-90.7-163.9114.700110.2
473V30Very low29.2Very low147 Ų147148.8 Ų148.889%0.89185%0.846SS**  trans-130.1126.9167.2171.30000107.6
474S29.2Very low30.1Very low115 Ų115148 Ų14880%0.80484%0.844SS**  trans-71.2154.5-168.2-46.60000114.9
475Q28.6Very low30.3Very low189 Ų189145.6 Ų145.688%0.88385%0.845SS**  trans-59.9150.1166.6-62.3163.8-66.500112.6
476V31.4Very low30.5Very low146 Ų146147.8 Ų147.889%0.88585%0.845SS**  trans-136.6132147.2175.30000108
477D30.8Very low30.8Very low163 Ų163147.3 Ų147.387%0.87284%0.841SS**  trans-59159.6-179.2-75.9-93.5000116.3
478G29.6Very low31Very low80 Ų80151.2 Ų151.283%0.82585%0.846SS**  trans15866.115800000117.3
479E29.8Very low31.5Very low187 Ų187152.8 Ų152.887%0.87485%0.848SS**  trans-106.1152.6167.5-73.4-172.711500112.6
480E31.3Very low31.9Very low184 Ų184152.6 Ų152.686%0.8685%0.847SS**  trans52.7136.5165.6-63.6-164.694.300119.8
481E32.1Very low32.6Very low197 Ų197154.2 Ų154.292%0.92185%0.851SS**  cis-143.1162.540.5-72.8-172.7107.300113
482G28.4Very low33.1Very low83 Ų83155.3 Ų155.386%0.85686%0.856SS**  trans156.452165.300000119.3
483Q34.1Very low34.1Very low188 Ų188153.4 Ų153.488%0.87985%0.847SS**  trans-82.4174162.9-107.9-173.39.900111.4
484P47.4Very low34.9Very low109 Ų109153.3 Ų153.371%0.70884%0.837SS**  cis-131.8175.8-12.634.7-16.2000114.6
485G30.5Very low35.3Very low80 Ų80160.4 Ų160.483%0.82586%0.857SS**  trans-157.673.4171.400000113.7
486Q32Very low35.7Very low191 Ų191159 Ų15989%0.89386%0.856SS**  trans-68.1157.9164-59.4167.6-15.700109.2
487A32.8Very low35.9Very low95 Ų95159.6 Ų159.679%0.78586%0.855SS**  cis-143.1-177.4-2.100000106.2
488M33.8Very low36.2Very low174 Ų174159.4 Ų159.486%0.85785%0.854SS**  cis-173.513342.3-166.8170.582.200108.3
489E38Very low36.5Very low179 Ų179164.1 Ų164.184%0.83686%0.855SS**  trans-106.5176.4162.4-75-172.1135.400109.4
490E35.5Very low37Very low173 Ų173162.7 Ų162.781%0.80885%0.854SS**  trans74.1111.2174.7-53.9179.5157.500113.3
491E44.1Very low37.3Very low188 Ų188161.3 Ų161.388%0.87985%0.854SS**  49.2109.167.3-69.7-164.3124.400113
492E39.9Very low37.7Very low199 Ų199158.7 Ų158.793%0.9385%0.849SS**  -163.3157.9111-119.9-174145.600113.6
493E46.2Very low38.4Very low154 Ų154164.5 Ų164.572%0.7285%0.848SS**  trans-107.6118.7178.9-177178.4133.100109.2
494Q46.8Very low38.8Very low146 Ų146162.6 Ų162.668%0.68285%0.846SS**  trans48.395.6156.7-59.217460.100119.3
495Q38.7Very low38Very low263 Ų263167.5 Ų167.5100%1.22986%0.859SS**  172.80103.2-94.6169.240.300114.4

Retrieved 495 of 495 residues in 95.5 ms (Link to these results)