A0A087XTQ3_POEFO Loading...

Suppressor of cytokine signaling 4

AlphaFold DB , UniProt , Accession A0A087XTQ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 380 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
1A40.8Very low33.9Very low158 Ų158161.2 Ų161.2100%1.30690%0.902SS**  0104.6000000108.1
2M29.4Very low33.5Very low192 Ų192158.3 Ų158.395%0.94689%0.891SS**  trans-72.6135.7178.1-83.2-82.9-157.400109.7
3S38.6Very low33.8Very low116 Ų116157.8 Ų157.881%0.81187%0.867SS**  trans-91.9111.7176.7-175.70000108.9
4E33.9Very low33.5Very low192 Ų192154.6 Ų154.690%0.89786%0.858SS**  trans-86.5112.8173.7-70.8-158.7129.600110.9
5K37.9Very low33.3Very low204 Ų204158.2 Ų158.289%0.88786%0.861SS**PPolyproline II helixtrans-83.6117.9164.7-95.8176.1173.1172.10109
6K32.6Very low33.3Very low202 Ų202155.1 Ų155.188%0.87885%0.854SS**PPolyproline II helixtrans-86.6127.8172-151.6170.3-173.4175.10110
7P34.8Very low33.1Very low120 Ų120149.8 Ų149.878%0.77984%0.843SS**PPolyproline II helixtrans-80.8143.7-178.330.5-31.3000111.9
8R33.6Very low33.3Very low250 Ų250149.8 Ų149.894%0.94384%0.841SS**PPolyproline II helixtrans-73.9121.4170.3-64.8179.4-138.6-121.60.4108.7A10R8-A10 PolarHBondContact O-N 3.36Å
9G29.3Very low33.9Very low81 Ų81148.1 Ų148.184%0.83582%0.82SS**PPolyproline II helixtrans-71.311816900000110D11G9-D11 PolarHBondContact O-N 3.09Å
10A33.5Very low33.8Very low89 Ų89144.1 Ų144.174%0.73680%0.802SS**  trans-86.594.6169.100000108.2R8 T12R8-A10 PolarHBondContact O-N 3.36Å; A10-T12 PolarHBondContact O-N 3.44Å
11D28.1Very low34.2Very low169 Ų169143.4 Ų143.490%0.90479%0.787SS**  trans-81.895168.1-112.8-29.5000108.7G9 R13G9-D11 PolarHBondContact O-N 3.09Å; D11-R13 PolarHBondContact O-N 3.32Å
12T29.8Very low34Very low126 Ų126140.8 Ų140.877%0.77376%0.759SS**  trans-83.5102.7173.939.40000108.4A10A10-T12 PolarHBondContact O-N 3.44Å
13R37.2Very low34.1Very low152 Ų152135.9 Ų135.957%0.57475%0.75SS**  trans-45.6132.6166.2-176.8177.4-177.3-174.3-1.2109.7D11 K15 E265D11-R13 PolarHBondContact O-N 3.32Å; R13-K15 PolarHBondContact O-N 3.44Å; R13-K15 VanDerWaalsContact O-N 3.09Å; R13-E265 IonicContact CZ-OE1 2.8Å; R13-E265 IonicContact NH1-OE1 2.59Å; R13-E265 PolarHBondContact NH1-OE1 2.7Å
14P29.2Very low33.9Very low114 Ų114135.7 Ų135.774%0.7474%0.739SS**  trans-62.3119172.124.3-29.8000108.1S16P14-S16 VanDerWaalsContact C-N 3.27Å; P14-S16 PolarHBondContact O-N 3.24Å
15K30.6Very low33.8Very low208 Ų208131.1 Ų131.190%0.90473%0.729SS**  trans-6492.1167-81175.2174.7169.40107.4R13 G17R13-K15 PolarHBondContact O-N 3.44Å; R13-K15 VanDerWaalsContact O-N 3.09Å; K15-G17 VanDerWaalsContact C-N 3.31Å; K15-G17 PolarHBondContact O-N 3.36Å
16S33.9Very low33.8Very low108 Ų108129.6 Ų129.676%0.75572%0.719SS**  trans-64.6100.5156.746.70000106.8P14P14-S16 VanDerWaalsContact C-N 3.27Å; P14-S16 PolarHBondContact O-N 3.24Å
17G30.1Very low34Very low65 Ų65125.9 Ų125.967%0.6771%0.707SS**  trans-58.1141.7172.100000110.3K15K15-G17 VanDerWaalsContact C-N 3.31Å; K15-G17 PolarHBondContact O-N 3.36Å
18L36Very low34Very low151 Ų151128.3 Ų128.379%0.79170%0.701SS**  trans74.664.4170.4-89.170.1000117.1S20L18-S20 PolarHBondContact O-N 3.12Å
19R44.1Very low34.1Very low117 Ų117127.2 Ų127.244%0.44270%0.697SS.*  -82.760.4125-101.9-167.4-84.4-98.38.9108.7W21 D264R19-W21 VanDerWaalsContact C-N 3.35Å; R19-W21 PolarHBondContact O-N 3.13Å; R19-D264 WeakPolarHBondContact CB-OD1 3.37Å; R19-D264 WeakPolarHBondContact CD-OD1 3.4Å; R19-D264 IonicContact NE-OD1 3.07Å; R19-D264 PolarHBondContact NE-OD1 2.95Å; R19-D264 PolarHBondContact NH2-O 2.92Å
20S31.9Very low34.4Very low67 Ų67125.5 Ų125.547%0.46968%0.679SS.*  trans-69.7100.8167.155.50000107L18 S22L18-S20 PolarHBondContact O-N 3.12Å; S20-S22 PolarHBondContact O-N 3.04Å
21W43.2Very low34.3Very low130 Ų130130.8 Ų130.849%0.49269%0.686SS.*  trans-63.776.7158.1-79.318.5000107.9R19 V238 S261 A262R19-W21 VanDerWaalsContact C-N 3.35Å; R19-W21 PolarHBondContact O-N 3.13Å; W21-V238 HydrophobicContact CH2-CG1 4.33Å; W21-V238 HydrophobicContact CZ3-CG1 4.41Å; W21-S261 VanDerWaalsContact CZ2-O 3.26Å; W21-S261 WeakPolarHBondContact CZ2-O 3.49Å; W21-A262 VanDerWaalsContact CH2-CA 3.44Å; W21-A262 HydrophobicContact CH2-CB 3.83Å; W21-A262 HydrophobicContact CZ3-CB 3.97Å
22S35.8Very low34.6Very low103 Ų103132.5 Ų132.572%0.7269%0.685SS**  trans-158.281.6174.8-83.60000108.1S20S20-S22 PolarHBondContact O-N 3.04Å
23A31.8Very low34.6Very low90 Ų90137.7 Ų137.774%0.74469%0.69SS**SBendtrans-169.1-22.5152.900000113
24D33.9Very low34.2Very low111 Ų111136 Ų13659%0.59470%0.702SS**  trans-120.654.3179.3-78.4-42.9000111.7Y26D24-Y26 HydrophobicContact CB-CD2 4.11Å; D24-Y26 HydrophobicContact CB-CE2 3.75Å; D24-Y26 PolarHBondContact O-N 3.39Å; D24-Y26 WeakPolarHBondContact OD1-CE2 3.38Å; D24-Y26 PolarHBondContact OD1-OH 3.15Å
25S31.9Very low34.4Very low97 Ų97142 Ų14268%0.67871%0.71SS**  trans-73.283158.149.20000108.2I27S25-I27 PolarHBondContact O-N 2.94Å
26Y38.4Very low34.2Very low171 Ų171137.3 Ų137.367%0.67170%0.703SS**  trans-68.985.8160.5-68.6-79.1000107.2D24 W28D24-Y26 HydrophobicContact CB-CD2 4.11Å; D24-Y26 HydrophobicContact CB-CE2 3.75Å; D24-Y26 PolarHBondContact O-N 3.39Å; D24-Y26 WeakPolarHBondContact OD1-CE2 3.38Å; D24-Y26 PolarHBondContact OD1-OH 3.15Å; Y26-W28 PolarHBondContact O-N 3.42Å
27I36Very low33.9Very low124 Ų124137 Ų13764%0.63670%0.701SS**  trans-60101.8178.6-62.3-169.4000108S25 R29S25-I27 PolarHBondContact O-N 2.94Å; I27-R29 VanDerWaalsContact C-N 3.28Å; I27-R29 HydrophobicContact CG2-CG 3.73Å; I27-R29 PolarHBondContact O-N 3.24Å
28W36.1Very low34Very low172 Ų172145.1 Ų145.165%0.65271%0.711SS**  trans-62.495.1155.8-171.1-80.1000107.3Y26 G30 F333Y26-W28 PolarHBondContact O-N 3.42Å; W28-G30 PolarHBondContact O-N 2.98Å; W28-F333 HydrophobicContact CZ3-CD1 4.44Å
29R35.7Very low33.7Very low226 Ų226145.6 Ų145.685%0.85371%0.714SS**  trans-74.979.7167.1-87.4-148.1-167.4-88.94.3108.8I27 K31I27-R29 VanDerWaalsContact C-N 3.28Å; I27-R29 HydrophobicContact CG2-CG 3.73Å; I27-R29 PolarHBondContact O-N 3.24Å; R29-K31 PolarHBondContact O-N 2.96Å
30G35.4Very low32.9Very low45 Ų45143.4 Ų143.446%0.46473%0.728SS.*  trans-60.2123.5158.200000108.8W28 K32W28-G30 PolarHBondContact O-N 2.98Å; G30-K32 PolarHBondContact O-N 3.3Å
31K31.9Very low32.8Very low201 Ų201146.1 Ų146.187%0.87475%0.748SS**  trans-68.492.4-179.9-168.5165.6-178.7170.20109.1R29 R33R29-K31 PolarHBondContact O-N 2.96Å; K31-R33 PolarHBondContact O-N 3.13Å
32K33.6Very low32.3Very low205 Ų205145.4 Ų145.489%0.89176%0.762SS**  trans-52.9105.1171.8-104176.6178172.60109.5G30 S34G30-K32 PolarHBondContact O-N 3.3Å; K32-S34 PolarHBondContact O-N 2.9Å
33R30.6Very low32.6Very low235 Ų235146 Ų14689%0.88776%0.764SS**  trans-80.694.5158.6-75.2-173175.6-145.31.5106.5K31 R35K31-R33 PolarHBondContact O-N 3.13Å; R33-R35 PolarHBondContact O-N 2.85Å; R33-R35 VanDerWaalsContact O-N 3.13Å
34S28.8Very low32.6Very low116 Ų116147.4 Ų147.481%0.81177%0.768SS**  trans-64.1108167.651.80000108.8K32K32-S34 PolarHBondContact O-N 2.9Å
35R31.7Very low32.3Very low241 Ų241146 Ų14691%0.90978%0.78SS**  trans-90.4108157.1-80.5-178.3169161.9-4.3106.7R33 S37R33-R35 PolarHBondContact O-N 2.85Å; R33-R35 VanDerWaalsContact O-N 3.13Å; R35-S37 PolarHBondContact O-N 3.07Å
36S27.7Very low32.3Very low108 Ų108146.6 Ų146.676%0.75578%0.784SS**  trans-67.5109.517053.10000109R38S36-R38 PolarHBondContact O-N 3.36Å
37S28Very low32Very low103 Ų103147.4 Ų147.472%0.7279%0.794SS**  trans-74.1111.4161.1170.60000107.8R35R35-S37 PolarHBondContact O-N 3.07Å
38R31.5Very low31.8Very low235 Ų235146.1 Ų146.189%0.88780%0.801SS**  trans-86.7110.6164.4-78.6172.592.5174.44.7106.6S36 G40S36-R38 PolarHBondContact O-N 3.36Å; R38-G40 PolarHBondContact O-N 3.08Å
39N28.8Very low31.5Very low160 Ų160145.8 Ų145.886%0.85681%0.812SS**  trans-67.5117.5160.5-79.4-7.1000107.9
40G27.6Very low31.2Very low71 Ų71138.5 Ų138.573%0.73281%0.808SS**  trans-127.8118169.400000108R38R38-G40 PolarHBondContact O-N 3.08Å
41S30.5Very low31Very low125 Ų125140.9 Ų140.987%0.87482%0.818SS**  trans-60.6141.5-179.1-34.90000112.5
42S32Very low31Very low114 Ų114140 Ų14080%0.79782%0.816SS**  trans-64157.4163-45.50000110.8
43P42Very low30.9Very low117 Ų117137.6 Ų137.676%0.7681%0.809SS**  -145.1154.588.637.9-21000116.1
44S31.5Very low30.8Very low118 Ų118133.8 Ų133.883%0.82581%0.805SS**  trans27.7126.6147.560.90000121.4
45G29.1Very low30.8Very low82 Ų82131.7 Ų131.785%0.84580%0.801SS**  trans-175.1127.216000000112
46S32.2Very low30.7Very low109 Ų109128.8 Ų128.876%0.76280%0.8SS**  trans-77.6150.3-167.438.40000117.5
47E30.4Very low30.6Very low189 Ų189134.7 Ų134.788%0.88381%0.806SS**  trans67.7145.5140.4-58.2-74.6113.100122.7
48A32Very low30.6Very low96 Ų96134.2 Ų134.279%0.79380%0.803SS**  trans109.495.1152.700000119.5
49D29.9Very low30.4Very low165 Ų165128.8 Ų128.888%0.88280%0.796SS**  trans16.6146.9130.7-150.915.2000122.8
50G29.8Very low30.4Very low73 Ų73126.7 Ų126.775%0.75379%0.794SS**  trans158.9102.2168.100000115.7
51S31.9Very low30.4Very low96 Ų96129.5 Ų129.567%0.67180%0.801SS**  trans-78163.8-178-62.20000117.1
52E31.5Very low30.3Very low182 Ų182129.2 Ų129.285%0.8580%0.799SS**  trans70.1150.5148.6-72.1167.2173.300118.4
53E30.9Very low30.3Very low155 Ų155135.5 Ų135.572%0.72481%0.805SS**  cis-165.71595.6-130.4-162.314800109
54L29.4Very low29.8Very low155 Ų155141.4 Ų141.481%0.81281%0.812SS**  trans34.4140.3146.5-65.5174.4000124.3
55G27.4Very low29.7Very low71 Ų71146.2 Ų146.273%0.73281%0.812SS**  trans165.88215200000119.8
56M29.7Very low29.8Very low181 Ų181154.3 Ų154.389%0.89282%0.817SS**  trans47.3117.4138.3-67.416888.100123.4
57R27.3Very low29.6Very low231 Ų231155.8 Ų155.887%0.87281%0.812SS**  40127.6122.7-83.1-178.6179.1179.10.9121.6
58S27.5Very low29.7Very low93 Ų93158.2 Ų158.265%0.6581%0.813SS**  113.6129.5115.9-89.90000121.1
59T26.6Very low29.6Very low121 Ų121162.7 Ų162.774%0.74282%0.815SS**  trans78.5116.7134.956.50000121.7
60S28.6Very low29.4Very low117 Ų117160.4 Ų160.482%0.81881%0.81SS**  104.7126.8119.773.40000119.2
61C28.4Very low29.3Very low129 Ų129162.2 Ų162.287%0.87281%0.812SS**  trans-63.5149.9170-58.90000112.3
62S28.7Very low29.1Very low120 Ų120163.7 Ų163.784%0.83982%0.821SS**  trans-139.5117.1143.261.80000111.9
63R31.6Very low29Very low246 Ų246160.8 Ų160.893%0.92882%0.82SS**  trans-71.1123.6162.1-86.4174.7156.4-175.2-4.2108.7
64R31Very low29.1Very low240 Ų240157.7 Ų157.791%0.90682%0.821SS**  trans-150.6107.1146.2-71-164.5-176.8-168.40.6108.1
65R29.2Very low29.2Very low220 Ų220159 Ų15983%0.8383%0.828SS**  48.498.995.2-164.3-179.2-171.5-134.50.2112
66R31.7Very low29.4Very low251 Ų251159.3 Ų159.395%0.94783%0.831SS**  trans-144.3140.4152.3-132.6176-158.3164.25.8112.4
67E28.2Very low29.6Very low140 Ų140158.6 Ų158.665%0.65483%0.831SS**  trans-80.4160.6-162.3-69.3167.7156.600112.8
68R33Very low29.8Very low241 Ų241153.4 Ų153.491%0.90983%0.83SS**  trans-60.5132.6168.1-62.4173.3171113.6-1.3109.7
69K29.3Very low30.2Very low189 Ų189156.7 Ų156.782%0.82284%0.84SS**  trans-141.5111.2151.7-116.7131.5176.61760108.8
70C24.9Very low30.4Very low117 Ų117159.6 Ų159.679%0.79185%0.847SS**  trans-82.1127160-71.70000106.9
71S29.4Very low31.1Very low112 Ų112159.3 Ų159.378%0.78385%0.852SS**  trans-120.8120.9165-50.60000107.4
72C26.1Very low31.6Very low127 Ų127156.5 Ų156.586%0.85885%0.845SS**  trans-88.8138.6169.1-25.30000107.2
73S29.2Very low31.7Very low121 Ų121158.2 Ų158.285%0.84684%0.844SS**  trans-141.9120.3157.744.20000108.1
74A33.1Very low32.4Very low89 Ų89153.9 Ų153.974%0.73685%0.845SS**  trans-84154.7174.300000110.3
75L33.4Very low32.9Very low182 Ų182147.7 Ų147.795%0.95383%0.83SS**  157.2138.7129.6-82.9170000111.1
76G30.7Very low33.4Very low78 Ų78139.8 Ų139.880%0.80482%0.816SS**  trans13389155.200000116
77D33.6Very low33.7Very low166 Ų166133.7 Ų133.789%0.88881%0.807SS**  trans-66.8140.8162.3-92.4-37.3000111.7
78S31.4Very low34.3Very low123 Ų123131.6 Ų131.686%0.8681%0.807SS**  trans-174.1125.6137.6-820000111.2
79L35.8Very low34.9Very low162 Ų162128.6 Ų128.685%0.84880%0.795SS**  trans-62.8138.4177.5-74.5132.2000112.5
80M32Very low35.4Very low182 Ų182128 Ų12890%0.89779%0.793SS**  -165.7148.6126.8-84.8-41.4137.300110.5
81A43.2Very low36.3Very low111 Ų111125.1 Ų125.192%0.91778%0.778SS**  trans-66130.9-16700000114.9
82G37.2Very low37.3Very low70 Ų70124.2 Ų124.272%0.72276%0.763SS**  trans155.7130.9169.200000111.6
83D32.4Very low38.5Very low155 Ų155126 Ų12683%0.82976%0.759SS**  trans74.778.1174.5-78.9-22.9000119.9D85D83-D85 VanDerWaalsContact C-N 3.33Å; D83-D85 PolarHBondContact O-N 3.38Å
84V45.8Very low39.6Very low155 Ų155131 Ų13194%0.93976%0.759SS**THydrogen-bonded Turntrans-89.960.4161.6-176.20000110.8
85D40.9Very low41.1Very low111 Ų111131.9 Ų131.959%0.59474%0.743SS**THydrogen-bonded Turntrans-144.1-4.1165.2-146.79.9000114.7D83D83-D85 VanDerWaalsContact C-N 3.33Å; D83-D85 PolarHBondContact O-N 3.38Å
86G39.9Very low42.9Very low53 Ų53126.3 Ų126.355%0.54672%0.72SS.*SBendtrans-87.9-26.3-179.500000115.7
87V37.2Very low44.4Very low124 Ų124129.7 Ų129.775%0.75272%0.718SS**SBendtrans-90.1-26.9-166.9-178.20000113.1R89V87-R89 PolarHBondContact O-N 3.33Å
88C41.2Very low45.5Very low96 Ų96128.1 Ų128.165%0.64970%0.7SS**Hα-helixtrans-73.2-24-178.9-87.40000114.7
89R45.4Very low47.2Very low178 Ų178127 Ų12767%0.67268%0.681SS**Hα-helixtrans-75.6-26.1-176.5-68.1-171.6-175.6-169.93.5113.9V87 H93V87-R89 PolarHBondContact O-N 3.33Å; R89-H93 PolarHBondContact O-ND1 3.03Å; R89-H93 VanDerWaalsContact O-ND1 3.09Å
90K40.6Very low49Very low176 Ų176124.5 Ų124.577%0.76566%0.663SS**Hα-helixtrans-79.4-25.2179.2-73178.5179.8171.60112.9
91A44Very low50.5Low57 Ų57122.7 Ų122.747%0.47165%0.651SS.*Hα-helixtrans-75.4-22.5178.800000114.2
92L50.4Low51.6Low93 Ų93121.8 Ų121.849%0.48763%0.628SS.*G310 helixtrans-83.8-15.9-179.3-66.4173.5000114.1R94L92-R94 VanDerWaalsContact C-N 3.34Å
93H50.1Low52.8Low165 Ų165122.1 Ų122.176%0.76461%0.613SS**G310 helixtrans-82.4-9179.3-79.282.6000113.8R89R89-H93 PolarHBondContact O-ND1 3.03Å; R89-H93 VanDerWaalsContact O-ND1 3.09Å
94R52.3Low54.1Low224 Ų224117.2 Ų117.285%0.84559%0.594SS**G310 helixtrans-102.50.6178.9-72.7-168.7172.3-124.12114.8L92L92-R94 VanDerWaalsContact C-N 3.34Å
95R65.7Low54.8Low108 Ų108113.9 Ų113.941%0.40857%0.574SS.*SBendtrans-87.3131.8-177.2-61.6-172.3-171.1-178.74.8111.2Q99 K100 D103R95-Q99 HydrophobicContact CB-CB 4.26Å; R95-K100 HydrophobicContact CB-CG 4.28Å; R95-K100 WeakPolarHBondContact O-CE 3.32Å; R95-D103 IonicContact NH1-OD2 3Å; R95-D103 PolarHBondContact NH1-OD2 3.45Å
96S71.3Confident55.5Low65 Ų65111.6 Ų111.646%0.45558%0.577SS.*  trans-62.3152.2174.780.30000110.6R98 Q99 K100S96-R98 PolarHBondContact O-N 3.33Å; S96-R98 VanDerWaalsContact O-N 3.13Å; S96-Q99 WeakPolarHBondContact O-CB 3.31Å; S96-Q99 PolarHBondContact O-N 3.14Å; S96-Q99 PolarHBondContact OG-N 3.21Å; S96-K100 PolarHBondContact O-N 3.43Å; S96-K100 VanDerWaalsContact O-N 3.15Å
97L61.3Low56.3Low149 Ų149117.1 Ų117.178%0.7859%0.588SS**Hα-helixtrans-55.5-32.6179-165.9138.6000111.9K100 F101L97-K100 PolarHBondContact O-N 3.49Å; L97-F101 PolarHBondContact O-N 2.99Å
98R57Low56.8Low134 Ų134115.8 Ų115.851%0.50658%0.583SS.*Hα-helixtrans-65-38.2174.9-165178.9-172.7-65-16.8113S96 Q102 K127S96-R98 PolarHBondContact O-N 3.33Å; S96-R98 VanDerWaalsContact O-N 3.13Å; R98-Q102 VanDerWaalsContact NH1-NE2 3.12Å; R98-Q102 WeakPolarHBondContact O-CG 3.36Å; R98-Q102 PolarHBondContact O-N 3.48Å; R98-Q102 VanDerWaalsContact O-N 3.12Å; R98-K127 VanDerWaalsContact NH2-NZ 3.2Å
99Q66.7Low57Low99 Ų99118.8 Ų118.846%0.46359%0.592SS.*Hα-helixtrans-68.9-42.1177.1-152.995.721.300110.9R95 S96 F101 Q102 D103R95-Q99 HydrophobicContact CB-CB 4.26Å; S96-Q99 WeakPolarHBondContact O-CB 3.31Å; S96-Q99 PolarHBondContact O-N 3.14Å; S96-Q99 PolarHBondContact OG-N 3.21Å; Q99-F101 VanDerWaalsContact C-N 3.3Å; Q99-F101 PolarHBondContact O-N 3.35Å; Q99-Q102 PolarHBondContact O-N 2.91Å; Q99-D103 PolarHBondContact O-N 3.39Å
100K75.1Confident56.8Low109 Ų109115.8 Ų115.847%0.47460%0.596SS.*Hα-helixtrans-62.6-39177.2-65.9-179.1179.5-177.70111.7R95 S96 L97 A104R95-K100 HydrophobicContact CB-CG 4.28Å; R95-K100 WeakPolarHBondContact O-CE 3.32Å; S96-K100 PolarHBondContact O-N 3.43Å; S96-K100 VanDerWaalsContact O-N 3.15Å; L97-K100 PolarHBondContact O-N 3.49Å; K100-A104 WeakPolarHBondContact O-CB 3.2Å; K100-A104 PolarHBondContact O-N 3.07Å
101F63.2Low56.8Low145 Ų145115.9 Ų115.964%0.63660%0.603SS**Hα-helixtrans-66.8-42176-157.1-90.7000111.7L97 Q99 A104 V105L97-F101 PolarHBondContact O-N 2.99Å; Q99-F101 VanDerWaalsContact C-N 3.3Å; Q99-F101 PolarHBondContact O-N 3.35Å; F101-A104 PolarHBondContact O-N 3.09Å; F101-V105 HydrophobicContact CD1-CG2 3.82Å; F101-V105 HydrophobicContact CE1-CG2 3.72Å; F101-V105 WeakPolarHBondContact O-CG2 3.45Å; F101-V105 PolarHBondContact O-N 3.24Å
102Q66.3Low56.7Low92 Ų92120.6 Ų120.643%0.4361%0.609SS.*Hα-helixtrans-65.6-40.4177.2-72.9-179.6-4700112.7R98 Q99 A104 V105 G106R98-Q102 VanDerWaalsContact NH1-NE2 3.12Å; R98-Q102 WeakPolarHBondContact O-CG 3.36Å; R98-Q102 PolarHBondContact O-N 3.48Å; R98-Q102 VanDerWaalsContact O-N 3.12Å; Q99-Q102 PolarHBondContact O-N 2.91Å; Q102-A104 VanDerWaalsContact C-N 3.33Å; Q102-V105 PolarHBondContact O-N 3.32Å; Q102-G106 PolarHBondContact O-N 3.42Å
103D61.2Low56.2Low76 Ų76121.2 Ų121.241%0.40662%0.618SS.*Hα-helixtrans-64.6-37.8175.5-72-10.9000111.4R95 Q99 Q107R95-D103 IonicContact NH1-OD2 3Å; R95-D103 PolarHBondContact NH1-OD2 3.45Å; Q99-D103 PolarHBondContact O-N 3.39Å; D103-Q107 VanDerWaalsContact O-CG 3.31Å; D103-Q107 WeakPolarHBondContact O-CG 3.49Å; D103-Q107 PolarHBondContact O-N 3.42Å
104A60.7Low55.5Low52 Ų52120 Ų12043%0.4363%0.626SS.*Hα-helixtrans-68.6-44.3177.500000112.4K100 F101 Q102 G106 Q107 C108K100-A104 WeakPolarHBondContact O-CB 3.2Å; K100-A104 PolarHBondContact O-N 3.07Å; F101-A104 PolarHBondContact O-N 3.09Å; Q102-A104 VanDerWaalsContact C-N 3.33Å; A104-G106 VanDerWaalsContact C-N 3.25Å; A104-G106 PolarHBondContact O-N 3.35Å; A104-Q107 PolarHBondContact O-N 3.47Å; A104-C108 PolarHBondContact O-N 3.31Å; A104-C108 PolarHBondContact O-SG 2.99Å
105V60.6Low55.2Low86 Ų86113.3 Ų113.352%0.52163%0.626SS.*Hα-helixtrans-63.6-32.8179.1177.60000111.4F101 Q102 Q107 C108F101-V105 HydrophobicContact CD1-CG2 3.82Å; F101-V105 HydrophobicContact CE1-CG2 3.72Å; F101-V105 WeakPolarHBondContact O-CG2 3.45Å; F101-V105 PolarHBondContact O-N 3.24Å; Q102-V105 PolarHBondContact O-N 3.32Å; V105-Q107 VanDerWaalsContact C-N 3.29Å; V105-Q107 PolarHBondContact O-N 3.12Å; V105-C108 PolarHBondContact O-N 3.16Å
106G56.1Low54Low63 Ų63111.7 Ų111.765%0.64963%0.631SS**Hα-helixtrans-70.8-18.217500000115Q102 A104Q102-G106 PolarHBondContact O-N 3.42Å; A104-G106 VanDerWaalsContact C-N 3.25Å; A104-G106 PolarHBondContact O-N 3.35Å
107Q55.3Low52.8Low168 Ų168114.3 Ų114.379%0.78565%0.649SS**Hα-helixtrans-91.8-10.9177.7-66.2-108-24.700112.8D103 A104 V105 L109D103-Q107 VanDerWaalsContact O-CG 3.31Å; D103-Q107 WeakPolarHBondContact O-CG 3.49Å; D103-Q107 PolarHBondContact O-N 3.42Å; A104-Q107 PolarHBondContact O-N 3.47Å; V105-Q107 VanDerWaalsContact C-N 3.29Å; V105-Q107 PolarHBondContact O-N 3.12Å; Q107-L109 VanDerWaalsContact C-N 3.27Å; Q107-L109 PolarHBondContact O-N 3.43Å
108C47.8Very low52.1Low97 Ų97117 Ų11766%0.65565%0.649SS**SBendtrans-82.67.8-177.3-65.30000114.6A104 V105A104-C108 PolarHBondContact O-N 3.31Å; A104-C108 PolarHBondContact O-SG 2.99Å; V105-C108 PolarHBondContact O-N 3.16Å
109L46.4Very low51.2Low158 Ų158116.2 Ų116.283%0.82766%0.662SS**  trans-126.991.3171.8-70.9172.4000110.3Q107 L111Q107-L109 VanDerWaalsContact C-N 3.27Å; Q107-L109 PolarHBondContact O-N 3.43Å; L109-L111 PolarHBondContact O-N 2.92Å
110P40.3Very low49.9Very low116 Ų116120.8 Ų120.875%0.75368%0.68SS**  trans-89.291.8174.433.5-27.6000109.5
111L40.3Very low48.1Very low177 Ų177120.4 Ų120.493%0.92769%0.691SS**  trans-132.690.4154.4-70.1177.9000108.4L109L109-L111 PolarHBondContact O-N 2.92Å
112R42.5Very low47.1Very low157 Ų157119.2 Ų119.259%0.59270%0.695SS**  trans-127.6122.9160.6-154.6-177.1-171.3152.67.9108.6S116 R118R112-S116 VanDerWaalsContact CZ-O 3.23Å; R112-S116 PolarHBondContact NH2-O 2.93Å; R112-S116 PolarHBondContact NH2-OG 2.87Å; R112-R118 PolarHBondContact NH2-O 3.41Å; R112-R118 VanDerWaalsContact NH2-O 3.14Å
113P40.3Very low46Very low105 Ų105121.4 Ų121.468%0.68271%0.71SS**  trans-73.4153.1164.18.84.4000110G115P113-G115 PolarHBondContact O-N 2.87Å
114P36Very low44.9Very low141 Ų141127.1 Ų127.192%0.91673%0.731SS**SBendtrans-69.6125-178.528.3-31.5000110.2
115G45.5Very low44Very low83 Ų83135.3 Ų135.386%0.85675%0.751SS**  trans143.26.717000000118.9P113P113-G115 PolarHBondContact O-N 2.87Å
116S41Very low43.1Very low73 Ų73135.4 Ų135.451%0.5176%0.756SS.*  trans-115.8116.2-177.2172.80000112.7R112R112-S116 VanDerWaalsContact CZ-O 3.23Å; R112-S116 PolarHBondContact NH2-O 2.93Å; R112-S116 PolarHBondContact NH2-OG 2.87Å
117S46.2Very low42.7Very low120 Ų120139.9 Ų139.984%0.83976%0.757SS**  trans-100.457.1178.254.50000112.5
118R46Very low42.7Very low207 Ų207141.6 Ų141.678%0.78176%0.756SS**  trans-136.6141.6167.8-67.2-169.8-179.9-165.60.5112.6R112R112-R118 PolarHBondContact NH2-O 3.41Å; R112-R118 VanDerWaalsContact NH2-O 3.14Å
119P38.8Very low42.9Very low117 Ų117146.9 Ų146.976%0.7677%0.768SS**  trans-76.1139.5178.230.2-32000111.5S121P119-S121 PolarHBondContact O-N 3.1Å
120F38.3Very low43.4Very low194 Ų194143.7 Ų143.785%0.85175%0.751SS**  trans-71.8113.6178.8-149.2-95.2000109.3V122F120-V122 HydrophobicContact CD1-CG2 4.12Å; F120-V122 PolarHBondContact O-N 3.41Å
121S37.6Very low44Very low101 Ų101144.4 Ų144.471%0.70674%0.744SS**  trans-85.2102.5175-68.40000109.4P119 L123P119-S121 PolarHBondContact O-N 3.1Å; S121-L123 VanDerWaalsContact C-N 3.25Å; S121-L123 PolarHBondContact O-N 2.97Å; S121-L123 VanDerWaalsContact O-N 3.08Å
122V42.5Very low44.7Very low120 Ų120141.4 Ų141.473%0.72773%0.733SS**  trans-82.572.6172.2-159.10000108.8F120F120-V122 HydrophobicContact CD1-CG2 4.12Å; F120-V122 PolarHBondContact O-N 3.41Å
123L41.8Very low45.5Very low139 Ų139137.3 Ų137.373%0.72873%0.728SS**  trans-115.9123.9167.2-71.2173.4000108.5S121S121-L123 VanDerWaalsContact C-N 3.25Å; S121-L123 PolarHBondContact O-N 2.97Å; S121-L123 VanDerWaalsContact O-N 3.08Å
124F39.8Very low46.2Very low196 Ų196136 Ų13686%0.8671%0.713SS**  trans85.354.3174.8-50.2-75.3000118.5S126F124-S126 PolarHBondContact O-N 2.85Å
125W41Very low47.1Very low224 Ų224132.7 Ų132.785%0.84869%0.687SS**  trans-78.5100.9144.2-176-77.1000108.2K127W125-K127 PolarHBondContact O-N 2.92Å
126S41Very low47.5Very low88 Ų88135.8 Ų135.862%0.61568%0.681SS**  trans-59.9112.1171.5-1210000108.8F124 R128F124-S126 PolarHBondContact O-N 2.85Å; S126-R128 PolarHBondContact O-N 3.17Å
127K48.8Very low48.5Very low157 Ų157136.4 Ų136.468%0.68368%0.676SS**  trans-71.270.9171.6-71.1179.4178.4171.50110.1R98 W125R98-K127 VanDerWaalsContact NH2-NZ 3.2Å; W125-K127 PolarHBondContact O-N 2.92Å
128R55.1Low49.2Very low203 Ų203137.5 Ų137.577%0.76667%0.673SS**  trans-108.8125162.4-80.5-162.8-103.7-171-4.2109.5S126 I130S126-R128 PolarHBondContact O-N 3.17Å; R128-I130 PolarHBondContact O-N 3.46Å
129K51.9Low50.2Low209 Ų209136 Ų13691%0.90967%0.672SS**  trans-82.4104.8173.6-164.9178.7-177.2-1740105.7H131K129-H131 PolarHBondContact O-N 3.37Å
130I57.3Low51.9Low90 Ų90132.1 Ų132.146%0.46265%0.647SS.*  trans-73.4119.3-179.6-58.8174.2000107.3R128 E134 L135 F142R128-I130 PolarHBondContact O-N 3.46Å; I130-E134 WeakPolarHBondContact CA-OE2 3.4Å; I130-E134 HydrophobicContact CG2-CB 4.1Å; I130-L135 HydrophobicContact CG2-CD1 4.29Å; I130-F142 HydrophobicContact CD1-CE1 4.35Å; I130-F142 HydrophobicContact CD1-CZ 4.42Å
131H52.4Low53.6Low131 Ų131126.3 Ų126.361%0.60663%0.629SS**  trans-80144.4175.1-166.5-107.5000108.9K129 S133 E134K129-H131 PolarHBondContact O-N 3.37Å; H131-S133 PolarHBondContact ND1-OG 3.04Å; H131-S133 PolarHBondContact O-N 2.83Å; H131-E134 WeakPolarHBondContact O-CB 3.37Å; H131-E134 PolarHBondContact O-N 3.35Å
132V54.8Low55.4Low114 Ų114123.9 Ų123.969%0.69161%0.606SS**Hα-helixtrans-57-27-177.8177.60000112E134 L135V132-E134 VanDerWaalsContact C-N 3.3Å; V132-E134 PolarHBondContact O-N 3.36Å; V132-L135 WeakPolarHBondContact O-CB 3.43Å; V132-L135 PolarHBondContact O-N 2.72Å
133S58.7Low56.9Low71 Ų71121.6 Ų121.650%0.49760%0.595SS.*Hα-helixtrans-67.1-22173.366.60000114.7H131 L135 M136H131-S133 PolarHBondContact ND1-OG 3.04Å; H131-S133 PolarHBondContact O-N 2.83Å; S133-L135 VanDerWaalsContact C-N 3.3Å; S133-M136 PolarHBondContact O-N 2.78Å
134E56Low58.2Low79 Ų79121.2 Ų121.237%0.36960%0.6SS.*Hα-helixtrans-73.5-22.9172.8-74-175.6142.100112.3I130 H131 V132 M136 Q137I130-E134 WeakPolarHBondContact CA-OE2 3.4Å; I130-E134 HydrophobicContact CG2-CB 4.1Å; H131-E134 WeakPolarHBondContact O-CB 3.37Å; H131-E134 PolarHBondContact O-N 3.35Å; V132-E134 VanDerWaalsContact C-N 3.3Å; V132-E134 PolarHBondContact O-N 3.36Å; E134-M136 VanDerWaalsContact C-N 3.33Å; E134-Q137 WeakPolarHBondContact O-CG 3.39Å
135L54.3Low59.6Low71 Ų71121.1 Ų121.137%0.37260%0.6SS.*Hα-helixtrans-77.7-18.2174.7-94.5132.7000113.1I130 V132 S133 Q137 W152I130-L135 HydrophobicContact CG2-CD1 4.29Å; V132-L135 WeakPolarHBondContact O-CB 3.43Å; V132-L135 PolarHBondContact O-N 2.72Å; S133-L135 VanDerWaalsContact C-N 3.3Å; L135-Q137 VanDerWaalsContact C-N 3.32Å; L135-W152 PolarHBondContact O-NE1 2.76Å
136M54.1Low61.6Low147 Ų147111.9 Ų111.972%0.72457%0.569SS**THydrogen-bonded Turntrans-89.610.8179.7-68.2-72.7-69.500113.5S133 E134S133-M136 PolarHBondContact O-N 2.78Å; E134-M136 VanDerWaalsContact C-N 3.33Å
137Q61.9Low63.1Low86 Ų86113.6 Ų113.640%0.40257%0.568SS.*  trans-72.2156.9-178.4-67.7178.513.400112.4E134 L135 K139 W152 K156E134-Q137 WeakPolarHBondContact O-CG 3.39Å; L135-Q137 VanDerWaalsContact C-N 3.32Å; Q137-K139 VanDerWaalsContact C-N 3.29Å; Q137-K139 PolarHBondContact O-N 3.37Å; Q137-W152 WeakPolarHBondContact O-CH2 3.43Å; Q137-W152 WeakPolarHBondContact O-CZ2 3.38Å; Q137-K156 PolarHBondContact O-NZ 2.94Å
138D60.5Low64.5Low144 Ų144111.1 Ų111.177%0.7756%0.561SS**SBendtrans-73.7-23.6178.2-79.7-41.7000113.8K156D138-K156 VanDerWaalsContact CA-NZ 3.3Å; D138-K156 PolarHBondContact O-NZ 2.78Å; D138-K156 IonicContact OD1-NZ 2.67Å
139K67.4Low65.7Low176 Ų176101.6 Ų101.677%0.76553%0.526SS*.SBendtrans-118.8134.9-178.3-62.8-177.4-179.4-178.80110.6Q137 P141Q137-K139 VanDerWaalsContact C-N 3.29Å; Q137-K139 PolarHBondContact O-N 3.37Å; K139-P141 WeakPolarHBondContact O-CD 3.47Å
140C74.8Confident66.8Low35 Ų3597.3 Ų97.324%0.23651%0.508CS..  trans-64123-179-178.10000111.1F142 W152C140-F142 PolarHBondContact O-N 2.91Å; C140-W152 HydrophobicContact CB-CD2 4.03Å; C140-W152 HydrophobicContact CB-CE3 3.5Å; C140-W152 HydrophobicContact CB-CH2 4.12Å; C140-W152 HydrophobicContact CB-CZ3 3.57Å
141P73.1Confident67.7Low72 Ų7296.1 Ų96.147%0.46851%0.507SS..  trans-80.3-1.5179.932.2-35000113.5K139K139-P141 WeakPolarHBondContact O-CD 3.47Å
142F76.9Confident69.1Low50 Ų5090.3 Ų90.322%0.21948%0.479CS..SBendtrans-101.4152-177.8-52-69.8000111.7I130 C140 L148 A149 W152I130-F142 HydrophobicContact CD1-CE1 4.35Å; I130-F142 HydrophobicContact CD1-CZ 4.42Å; C140-F142 PolarHBondContact O-N 2.91Å; F142-L148 HydrophobicContact CB-CB 4.29Å; F142-L148 HydrophobicContact CD1-CB 3.88Å; F142-L148 HydrophobicContact CD1-CD1 4.11Å; F142-L148 HydrophobicContact CD2-CB 4.15Å; F142-L148 HydrophobicContact CE1-CB 4.23Å; F142-L148 HydrophobicContact CE1-CD1 4.15Å; F142-L148 HydrophobicContact CE2-CB 4.48Å; F142-L148 HydrophobicContact CG-CB 3.83Å; F142-A149 HydrophobicContact CB-CB 3.93Å; F142-W152 HydrophobicContact CD2-CB 4.04Å; F142-W152 HydrophobicContact CD2-CG 4.29Å; F142-W152 HydrophobicContact CE2-CB 4.11Å; F142-W152 AromaticContact CE2-CD1 3.9Å; F142-W152 HydrophobicContact CE2-CG 4.2Å
143S72.7Confident70.4Confident72 Ų7289 Ų8950%0.50347%0.466SS..  trans-56.4140.6177.558.60000111.7K145 S146 A149S143-K145 PolarHBondContact O-N 2.82Å; S143-S146 PolarHBondContact O-N 2.68Å; S143-S146 PolarHBondContact O-OG 3.47Å; S143-S146 VanDerWaalsContact OG-CB 3.31Å; S143-S146 WeakPolarHBondContact OG-CB 3.4Å; S143-S146 PolarHBondContact OG-OG 3.2Å; S143-A149 VanDerWaalsContact O-CB 3.32Å; S143-A149 WeakPolarHBondContact O-CB 3.39Å
144P70.5Confident71.3Confident130 Ų13090.9 Ų90.984%0.84447%0.469SS*.THydrogen-bonded Turntrans-59.5-12.4-169.6-24.532.2000116.7
145K69.3Low72.3Confident195 Ų19591.4 Ų91.485%0.84847%0.474SS*.THydrogen-bonded Turntrans-115.94.4-178.3-62-175.6179.7178.20114.1S143S143-K145 PolarHBondContact O-N 2.82Å
146S81.4Confident73.3Confident30 Ų3091.3 Ų91.321%0.2147%0.47CS..SBendtrans-82.9149.1178.467.60000111.7S143 L148 A149 K150S143-S146 PolarHBondContact O-N 2.68Å; S143-S146 PolarHBondContact O-OG 3.47Å; S143-S146 VanDerWaalsContact OG-CB 3.31Å; S143-S146 WeakPolarHBondContact OG-CB 3.4Å; S143-S146 PolarHBondContact OG-OG 3.2Å; S146-L148 PolarHBondContact O-N 3.34Å; S146-A149 WeakPolarHBondContact O-CB 3.3Å; S146-A149 PolarHBondContact O-N 2.91Å; S146-A149 PolarHBondContact OG-N 3.15Å; S146-K150 PolarHBondContact O-N 3.37Å
147E72.7Confident74.1Confident123 Ų12389.7 Ų89.758%0.57547%0.465SS*.Hα-helixtrans-56-32.7173.4-66.9-61.8106.400111.7A149 K150 C151E147-A149 PolarHBondContact O-N 3.05Å; E147-K150 WeakPolarHBondContact O-CB 3.31Å; E147-K150 PolarHBondContact O-N 2.82Å; E147-K150 WeakPolarHBondContact OE1-CE 3.47Å; E147-K150 IonicContact OE1-NZ 3.1Å; E147-K150 PolarHBondContact OE1-NZ 2.99Å; E147-C151 PolarHBondContact O-N 3.06Å; E147-C151 PolarHBondContact O-SG 3.31Å; E147-C151 VanDerWaalsContact O-SG 3.34Å
148L79.1Confident74.3Confident105 Ų10592.7 Ų92.755%0.5548%0.479SS..Hα-helixtrans-64.3-37175.2-62.8175.4000112.8F142 S146 K150 W152F142-L148 HydrophobicContact CB-CB 4.29Å; F142-L148 HydrophobicContact CD1-CB 3.88Å; F142-L148 HydrophobicContact CD1-CD1 4.11Å; F142-L148 HydrophobicContact CD2-CB 4.15Å; F142-L148 HydrophobicContact CE1-CB 4.23Å; F142-L148 HydrophobicContact CE1-CD1 4.15Å; F142-L148 HydrophobicContact CE2-CB 4.48Å; F142-L148 HydrophobicContact CG-CB 3.83Å; S146-L148 PolarHBondContact O-N 3.34Å; L148-K150 VanDerWaalsContact C-N 3.35Å; L148-W152 VanDerWaalsContact O-CB 3.32Å; L148-W152 WeakPolarHBondContact O-CB 3.3Å; L148-W152 PolarHBondContact O-N 2.79Å
149A80.6Confident74.4Confident4 Ų490.7 Ų90.73%0.03347%0.471CS..Hα-helixtrans-65.9-38.8173.700000111.3F142 S143 S146 E147 W152 H153F142-A149 HydrophobicContact CB-CB 3.93Å; S143-A149 VanDerWaalsContact O-CB 3.32Å; S143-A149 WeakPolarHBondContact O-CB 3.39Å; S146-A149 WeakPolarHBondContact O-CB 3.3Å; S146-A149 PolarHBondContact O-N 2.91Å; S146-A149 PolarHBondContact OG-N 3.15Å; E147-A149 PolarHBondContact O-N 3.05Å; A149-W152 PolarHBondContact O-N 2.85Å; A149-H153 PolarHBondContact O-N 3.12Å; A149-H153 VanDerWaalsContact O-N 3.13Å; A149-H153 PolarHBondContact O-ND1 3.15Å
150K75.1Confident73.9Confident119 Ų11985.9 Ų85.952%0.51747%0.465SS..Hα-helixtrans-64.4-47.2176.2-64.5178.6-175165.90111.6S146 E147 L148 W152 H153 L154S146-K150 PolarHBondContact O-N 3.37Å; E147-K150 WeakPolarHBondContact O-CB 3.31Å; E147-K150 PolarHBondContact O-N 2.82Å; E147-K150 WeakPolarHBondContact OE1-CE 3.47Å; E147-K150 IonicContact OE1-NZ 3.1Å; E147-K150 PolarHBondContact OE1-NZ 2.99Å; L148-K150 VanDerWaalsContact C-N 3.35Å; K150-W152 VanDerWaalsContact C-N 3.32Å; K150-W152 PolarHBondContact O-N 3Å; K150-H153 PolarHBondContact O-N 3Å; K150-L154 PolarHBondContact O-N 3.16Å
151C76.2Confident72.9Confident65 Ų6589.4 Ų89.444%0.43948%0.481SS..Hα-helixtrans-60.6-41.3176.3-64.90000111.9E147 H153 L154 I155E147-C151 PolarHBondContact O-N 3.06Å; E147-C151 PolarHBondContact O-SG 3.31Å; E147-C151 VanDerWaalsContact O-SG 3.34Å; C151-H153 PolarHBondContact O-N 3.42Å; C151-L154 PolarHBondContact O-N 3.32Å; C151-I155 WeakPolarHBondContact O-CD1 3.42Å; C151-I155 VanDerWaalsContact O-CG1 3.29Å; C151-I155 WeakPolarHBondContact O-CG1 3.24Å; C151-I155 PolarHBondContact O-N 2.88Å
152W82.1Confident71.8Confident8 Ų892.1 Ų92.13%0.0350%0.499CS..Hα-helixtrans-60.8-44.8177.8-173.589000112.6L135 Q137 C140 F142 L148 A149 K150 I155 K156L135-W152 PolarHBondContact O-NE1 2.76Å; Q137-W152 WeakPolarHBondContact O-CH2 3.43Å; Q137-W152 WeakPolarHBondContact O-CZ2 3.38Å; C140-W152 HydrophobicContact CB-CD2 4.03Å; C140-W152 HydrophobicContact CB-CE3 3.5Å; C140-W152 HydrophobicContact CB-CH2 4.12Å; C140-W152 HydrophobicContact CB-CZ3 3.57Å; F142-W152 HydrophobicContact CD2-CB 4.04Å; F142-W152 HydrophobicContact CD2-CG 4.29Å; F142-W152 HydrophobicContact CE2-CB 4.11Å; F142-W152 AromaticContact CE2-CD1 3.9Å; F142-W152 HydrophobicContact CE2-CG 4.2Å; L148-W152 VanDerWaalsContact O-CB 3.32Å; L148-W152 WeakPolarHBondContact O-CB 3.3Å; L148-W152 PolarHBondContact O-N 2.79Å; A149-W152 PolarHBondContact O-N 2.85Å; K150-W152 VanDerWaalsContact C-N 3.32Å; K150-W152 PolarHBondContact O-N 3Å; W152-I155 PolarHBondContact O-N 2.94Å; W152-K156 HydrophobicContact CH2-CD 3.59Å; W152-K156 HydrophobicContact CZ2-CD 4.22Å; W152-K156 HydrophobicContact CZ3-CD 3.78Å; W152-K156 PolarHBondContact O-N 3.1Å
153H80.5Confident70.6Confident88 Ų8892.9 Ų92.941%0.40752%0.52SS..Hα-helixtrans-69.4-35.2177.2-69.994.6000113A149 K150 C151 K156 N157A149-H153 PolarHBondContact O-N 3.12Å; A149-H153 VanDerWaalsContact O-N 3.13Å; A149-H153 PolarHBondContact O-ND1 3.15Å; K150-H153 PolarHBondContact O-N 3Å; C151-H153 PolarHBondContact O-N 3.42Å; H153-K156 PolarHBondContact O-N 2.85Å; H153-N157 WeakPolarHBondContact O-CB 3.33Å; H153-N157 PolarHBondContact O-N 3.29Å
154L78.4Confident69.1Low109 Ų10994.1 Ų94.157%0.57153%0.529SS*.Hα-helixtrans-61.2-45174.4-83.5162.3000111.8K150 C151 N157 Q158K150-L154 PolarHBondContact O-N 3.16Å; C151-L154 PolarHBondContact O-N 3.32Å; L154-N157 PolarHBondContact O-N 3.45Å; L154-Q158 PolarHBondContact O-N 3.02Å
155I76.8Confident67.8Low90 Ų9096 Ų9646%0.46253%0.531SS..Hα-helixtrans-63.8-44.4176.6-65.6164.4000110C151 W152 N157 Q158 V159C151-I155 WeakPolarHBondContact O-CD1 3.42Å; C151-I155 VanDerWaalsContact O-CG1 3.29Å; C151-I155 WeakPolarHBondContact O-CG1 3.24Å; C151-I155 PolarHBondContact O-N 2.88Å; W152-I155 PolarHBondContact O-N 2.94Å; I155-N157 PolarHBondContact O-N 2.92Å; I155-Q158 PolarHBondContact O-N 2.84Å; I155-V159 HydrophobicContact CG2-CG2 4.49Å; I155-V159 VanDerWaalsContact O-CG2 3.32Å; I155-V159 WeakPolarHBondContact O-CG2 3.26Å; I155-V159 PolarHBondContact O-N 3.01Å; I155-V159 VanDerWaalsContact O-N 3.07Å
156K76.1Confident66.2Low70 Ų7096.2 Ų96.230%0.30453%0.532SS..Hα-helixtrans-63.5-38.4178.9-167.9168.1-179.5164.70112.9Q137 D138 W152 H153 V159 A160Q137-K156 PolarHBondContact O-NZ 2.94Å; D138-K156 VanDerWaalsContact CA-NZ 3.3Å; D138-K156 PolarHBondContact O-NZ 2.78Å; D138-K156 IonicContact OD1-NZ 2.67Å; W152-K156 HydrophobicContact CH2-CD 3.59Å; W152-K156 HydrophobicContact CZ2-CD 4.22Å; W152-K156 HydrophobicContact CZ3-CD 3.78Å; W152-K156 PolarHBondContact O-N 3.1Å; H153-K156 PolarHBondContact O-N 2.85Å; K156-V159 PolarHBondContact O-N 3.17Å; K156-A160 VanDerWaalsContact O-CB 3.3Å; K156-A160 WeakPolarHBondContact O-CB 3.24Å; K156-A160 PolarHBondContact O-N 3.32Å
157N71.1Confident63.7Low113 Ų113102.1 Ų102.160%0.60456%0.562SS**Hα-helixtrans-67.2-35.7177-79.8-0000113H153 L154 I155 N161H153-N157 WeakPolarHBondContact O-CB 3.33Å; H153-N157 PolarHBondContact O-N 3.29Å; L154-N157 PolarHBondContact O-N 3.45Å; I155-N157 PolarHBondContact O-N 2.92Å; N157-N161 PolarHBondContact O-N 3.33Å
158Q64.4Low61.9Low149 Ų149105.3 Ų105.370%0.69658%0.579SS**Hα-helixtrans-72.6-33.9176.1-72.1-179.1-9.900112.4L154 I155L154-Q158 PolarHBondContact O-N 3.02Å; I155-Q158 PolarHBondContact O-N 2.84Å
159V62.8Low59.5Low101 Ų101109.6 Ų109.661%0.61260%0.596SS**Hα-helixtrans-74.9-33.3176.9174.20000112I155 K156I155-V159 HydrophobicContact CG2-CG2 4.49Å; I155-V159 VanDerWaalsContact O-CG2 3.32Å; I155-V159 WeakPolarHBondContact O-CG2 3.26Å; I155-V159 PolarHBondContact O-N 3.01Å; I155-V159 VanDerWaalsContact O-N 3.07Å; K156-V159 PolarHBondContact O-N 3.17Å
160A58.5Low57.1Low76 Ų76115.9 Ų115.963%0.62863%0.634SS**Hα-helixtrans-79.8-14.3-179.200000114.4K156K156-A160 VanDerWaalsContact O-CB 3.3Å; K156-A160 WeakPolarHBondContact O-CB 3.24Å; K156-A160 PolarHBondContact O-N 3.32Å
161N52.8Low55.2Low108 Ų108115.6 Ų115.658%0.57864%0.644SS**  trans-143.976.7-174.6-144.40.5000112.4N157 G163N157-N161 PolarHBondContact O-N 3.33Å; N161-G163 PolarHBondContact O-N 3.46Å
162P50Low52.9Low129 Ų129121.2 Ų121.284%0.83867%0.669SS**THydrogen-bonded Turntrans-78.69.7-179.232-33.5000114
163G51.8Low50.4Low66 Ų66130.5 Ų130.568%0.6871%0.71SS**THydrogen-bonded Turntrans-126.93.8-164.300000118.5N161N161-G163 PolarHBondContact O-N 3.46Å
164S40.7Very low48.1Very low98 Ų98131.5 Ų131.569%0.68572%0.724SS**  trans-108.171.9-173.1-173.10000113.5
165L43.4Very low45.5Very low169 Ų169138.2 Ų138.289%0.88574%0.741SS**SBendtrans-159.869.9154.7-121.7165.1000110.5
166K35.4Very low43.1Very low200 Ų200140.2 Ų140.287%0.8776%0.758SS**  trans-16798.7155.9-105.9178.7-172.8-172.20107.9
167D29.3Very low40.8Very low155 Ų155142.4 Ų142.483%0.82978%0.782SS**  trans-152.594.2162.9-97.9-26.2000108.1
168M34.6Very low38.7Very low190 Ų190142.5 Ų142.594%0.93679%0.791SS**  trans-154.8108.1147.5-63.9-65.7155.200105.7
169E28.6Very low36.9Very low195 Ų195140.7 Ų140.791%0.91180%0.795SS**  trans137.7121145.8-149.5168.4138.900114.5
170T30.6Very low35.2Very low136 Ų136142.1 Ų142.183%0.83480%0.804SS**  trans-80.6169.4-170.528.60000114.8
171P36Very low33.9Very low112 Ų112143.6 Ų143.673%0.72781%0.81SS**  trans-111.9153.8-141.939.4-32.2000116.3
172L27.6Very low33.2Very low183 Ų183143.9 Ų143.996%0.95882%0.818SS**  trans-139.2150.3151.3-76.4176.4000111.6
173K28.2Very low32.5Very low204 Ų204144 Ų14489%0.88782%0.819SS**  trans-87.8-178.2-151.2-121.7-173.8179.7171.50114.3
174P33.4Very low31.6Very low108 Ų108149.8 Ų149.870%0.70183%0.828SS**  -116.3168.8-124.638.4-20.7000114.7
175R23.9Very low31.5Very low250 Ų250151.1 Ų151.194%0.94383%0.832SS**  trans-144.3136.6151.9-114.7176.9-178-122.81.9112.3
176V26.2Very low31.3Very low132 Ų132149 Ų14980%0.883%0.828SS**  trans-76.6138.4-173.1174.60000110.6
177S28.2Very low31.1Very low117 Ų117147.2 Ų147.282%0.81883%0.827SS**  trans-171138.8131.9-76.30000111.6
178S26.6Very low31.2Very low114 Ų114142 Ų14280%0.79780%0.803SS**  trans-65.5145.2-174.347.20000116.8
179S26.1Very low31.1Very low112 Ų112142.2 Ų142.278%0.78379%0.793SS**  -173.2126.1116.1580000113.4
180T26.9Very low31.4Very low131 Ų131138 Ų13880%0.80477%0.774SS**  trans13.7131.3145.4-12.40000123
181S30.9Very low31.5Very low106 Ų106136.8 Ų136.874%0.74176%0.762SS**  trans112.4145.8145.2-390000117.8
182P37.8Very low31.7Very low115 Ų115138.7 Ų138.775%0.74776%0.764SS**PPolyproline II helixtrans-92.5158-146.636.7-34.9000115
183P36.1Very low32.2Very low131 Ų131135.1 Ų135.185%0.85175%0.754SS**PPolyproline II helixtrans-80.2149.1174.333.1-31.3000111.9
184Q34Very low32.3Very low188 Ų188130.4 Ų130.488%0.87975%0.745SS**PPolyproline II helixtrans-78.2151-165.1-61.3-173.1-29.200114
185T37.7Very low32.1Very low126 Ų126130.4 Ų130.477%0.77375%0.748SS**  trans-40.7145165.1-19.90000112.8L187T185-L187 PolarHBondContact O-N 2.97Å
186P38.2Very low32.7Very low123 Ų123124.4 Ų124.480%0.79974%0.741SS**PPolyproline II helixtrans-64.2134.9173.125.7-32.8000111.1S188P186-S188 PolarHBondContact O-N 2.99Å
187L32.6Very low33Very low164 Ų164122.1 Ų122.186%0.85974%0.736SS**PPolyproline II helixtrans-46.4127.7-174.1-69163000113.3T185T185-L187 PolarHBondContact O-N 2.97Å
188S30.6Very low33.2Very low44 Ų44121.4 Ų121.431%0.30873%0.729SS.*PPolyproline II helixtrans-81.8145.3175.9-166.30000110.7P186 E190 D191P186-S188 PolarHBondContact O-N 2.99Å; S188-E190 PolarHBondContact O-N 3.2Å; S188-E190 WeakPolarHBondContact OG-CG 3.26Å; S188-E190 PolarHBondContact OG-OE1 3Å; S188-D191 PolarHBondContact O-N 3.14Å
189W32.8Very low34Very low195 Ų195120.9 Ų120.974%0.73972%0.717SS**THydrogen-bonded Turntrans-63.8-6.5179.155.9-86.1000113.9
190E35Very low34.3Very low107 Ų107124.1 Ų124.150%0.572%0.719SS.*THydrogen-bonded Turntrans-96.2-17.2-176.917.7-158156.100112.5S188 I192S188-E190 PolarHBondContact O-N 3.2Å; S188-E190 WeakPolarHBondContact OG-CG 3.26Å; S188-E190 PolarHBondContact OG-OE1 3Å; E190-I192 VanDerWaalsContact C-N 3.34Å; E190-I192 PolarHBondContact O-N 3.34Å
191D32.9Very low34.7Very low111 Ų111125.1 Ų125.159%0.59472%0.72SS**THydrogen-bonded Turntrans-77.9-16.5174.9-67.2-43.9000113.4S188 C193S188-D191 PolarHBondContact O-N 3.14Å; D191-C193 VanDerWaalsContact C-N 3.26Å; D191-C193 PolarHBondContact O-N 3.09Å
192I39.1Very low35.2Very low151 Ų151126.9 Ų126.977%0.77471%0.71SS**THydrogen-bonded Turntrans-73.9-19.9177.1-61.6168.5000111.3E190E190-I192 VanDerWaalsContact C-N 3.34Å; E190-I192 PolarHBondContact O-N 3.34Å
193C38.4Very low35Very low109 Ų109126.7 Ų126.774%0.73670%0.703SS**SBendtrans-101.1-7.8-173.8-75.70000115.1D191D191-C193 VanDerWaalsContact C-N 3.26Å; D191-C193 PolarHBondContact O-N 3.09Å
194C31.1Very low35.3Very low105 Ų105124.9 Ų124.971%0.70969%0.691SS**SBendtrans-137.667.5-173.4-72.70000112.9
195S29.5Very low35.4Very low107 Ų107119.8 Ų119.875%0.74868%0.677SS**  trans-162.7115.9146.7-810000109.4A197S195-A197 PolarHBondContact O-N 3.11Å
196P35.6Very low35.5Very low124 Ų124119.7 Ų119.781%0.80568%0.68SS**  trans-69.9110.5164.328.2-26.9000106.9
197A32.8Very low35.6Very low85 Ų85121.3 Ų121.370%0.70268%0.681SS**  trans-56130.4160.900000107.3S195 L199S195-A197 PolarHBondContact O-N 3.11Å; A197-L199 PolarHBondContact O-N 2.91Å
198P32.1Very low35.9Very low101 Ų101122.7 Ų122.766%0.65668%0.682SS**  trans-53.3125.9174.9-23.332.4000109.4E200P198-E200 PolarHBondContact O-N 3.2Å
199L43.4Very low36.3Very low104 Ų104124.7 Ų124.755%0.54571%0.71SS.*THydrogen-bonded Turntrans-72.334.8-178.6-172.361.4000111.9A197 A303A197-L199 PolarHBondContact O-N 2.91Å; L199-A303 HydrophobicContact CD2-CB 3.73Å; L199-A303 HydrophobicContact CG-CB 4.43Å
200E33.8Very low36.3Very low179 Ų179126.2 Ų126.284%0.83672%0.715SS**THydrogen-bonded Turntrans-108.2-6-173.9-81.8169133.400114P198P198-E200 PolarHBondContact O-N 3.2Å
201D33.7Very low37Very low153 Ų153126.3 Ų126.382%0.81873%0.725SS**  trans-119.230.6-172.9-132.214.2000114.3D203D201-D203 VanDerWaalsContact C-N 3.26Å; D201-D203 PolarHBondContact O-N 3.16Å
202W42.8Very low37.3Very low143 Ų143128.4 Ų128.454%0.54274%0.736SS.*  trans-90.364166.1-170.1-97.3000110.8K288 T350W202-K288 PolarHBondContact O-NZ 2.98Å; W202-T350 HydrophobicContact CH2-CG2 3.58Å; W202-T350 HydrophobicContact CZ2-CG2 3.81Å
203D32.4Very low37.7Very low110 Ų110125.4 Ų125.459%0.58874%0.743SS**  trans-97.1110.3165.4-164.825.9000109.8D201 S205D201-D203 VanDerWaalsContact C-N 3.26Å; D201-D203 PolarHBondContact O-N 3.16Å; D203-S205 PolarHBondContact O-N 3.42Å; D203-S205 PolarHBondContact OD1-OG 3.18Å; D203-S205 VanDerWaalsContact OD1-OG 3.13Å; D203-S205 VanDerWaalsContact OD2-CB 3.3Å; D203-S205 WeakPolarHBondContact OD2-CB 3.41Å; D203-S205 PolarHBondContact OD2-OG 2.92Å
204P42.9Very low37.5Very low94 Ų94124.7 Ų124.761%0.6175%0.745SS**  trans-81.751.3176.736.1-33.7000110.3C206P204-C206 VanDerWaalsContact C-N 3.35Å; P204-C206 PolarHBondContact O-N 2.88Å
205S36.4Very low37.8Very low81 Ų81126.3 Ų126.357%0.56676%0.756SS**  trans-99.651.2175.6-59.40000110.4D203 L207D203-S205 PolarHBondContact O-N 3.42Å; D203-S205 PolarHBondContact OD1-OG 3.18Å; D203-S205 VanDerWaalsContact OD1-OG 3.13Å; D203-S205 VanDerWaalsContact OD2-CB 3.3Å; D203-S205 WeakPolarHBondContact OD2-CB 3.41Å; D203-S205 PolarHBondContact OD2-OG 2.92Å; S205-L207 PolarHBondContact O-N 3.45Å; S205-L207 VanDerWaalsContact O-N 3.13Å
206C38.9Very low38.5Very low124 Ų124124.4 Ų124.484%0.83875%0.753SS**  trans-79.896162.8-77.20000108.4P204P204-C206 VanDerWaalsContact C-N 3.35Å; P204-C206 PolarHBondContact O-N 2.88Å
207L39.8Very low39.3Very low156 Ų156124.6 Ų124.682%0.81775%0.747SS**  trans24.7103.1138.6-69.3158.1000113.5S205S205-L207 PolarHBondContact O-N 3.45Å; S205-L207 VanDerWaalsContact O-N 3.13Å
208H39.7Very low40.6Very low193 Ų193123 Ų12389%0.89473%0.729SS**  trans-163.3104.8135.4-100.852.6000106.3R210H208-R210 PolarHBondContact O-N 2.85Å
209G39.9Very low43.2Very low86 Ų86122 Ų12289%0.88772%0.718SS**  trans-61.5120.5173.400000110.1
210R31.1Very low45.4Very low227 Ų227121 Ų12186%0.85771%0.708SS**  trans-145.7114.6155.3-132.3-176.2-173.2-131.11108.2H208H208-R210 PolarHBondContact O-N 2.85Å
211P50.1Low48.1Very low109 Ų109114 Ų11471%0.70868%0.676SS**  trans-77.7121.9161.532.1-24.9000106
212D40.7Very low51Low155 Ų155107.5 Ų107.583%0.82964%0.641SS**  trans178.6132.3139.7-85.2-21.7000109.7
213G47.2Very low53.5Low88 Ų88100.9 Ų100.991%0.90762%0.616SS**  trans-59.7137.5-163.900000115.8
214A34.5Very low56.3Low95 Ų9599.1 Ų99.179%0.78561%0.61SS**  trans-144.9115.3153.100000109.1
215C36.2Very low58.8Low139 Ų13994.8 Ų94.894%0.93958%0.582SS**  trans-59.7131.7167.1175.20000110.4
216G45.1Very low61.6Low66 Ų6691.1 Ų91.168%0.6856%0.556SS**  trans9028.215200000119.5T218G216-T218 PolarHBondContact O-N 3.02Å; G216-T218 VanDerWaalsContact O-N 3.14Å
217N51.8Low64.4Low129 Ų12987.8 Ų87.869%0.6953%0.53SS*.  trans-74.6108.7174.1-150.432.3000110.2D219N217-D219 PolarHBondContact ND2-OD1 2.92Å; N217-D219 PolarHBondContact O-N 2.85Å; N217-D219 VanDerWaalsContact O-N 3.12Å
218T61Low67.1Low51 Ų5185.7 Ų85.731%0.31352%0.516SS..  trans-72.6103173.555.80000108G216 Y220 K373G216-T218 PolarHBondContact O-N 3.02Å; G216-T218 VanDerWaalsContact O-N 3.14Å; T218-Y220 WeakPolarHBondContact O-CD2 3.43Å; T218-K373 HydrophobicContact CG2-CD 4.46Å
219D85.1Confident69.9Low81 Ų8176.5 Ų76.543%0.43347%0.473SS..EExtended strand (participates in β ladder)trans-79.2127.4-179.6-76.6-23.1000109.6N217 C374N217-D219 PolarHBondContact ND2-OD1 2.92Å; N217-D219 PolarHBondContact O-N 2.85Å; N217-D219 VanDerWaalsContact O-N 3.12Å; D219-C374 HydrophobicContact CB-CB 4.41Å; D219-C374 PolarHBondContact N-O 2.86Å; D219-C374 WeakPolarHBondContact O-CA 3.49Å; D219-C374 WeakPolarHBondContact O-CB 2.92Å; D219-C374 PolarHBondContact O-N 3.02Å
220Y89.6Confident72.6Confident82 Ų8272.7 Ų72.732%0.32243%0.433SS..EExtended strand (participates in β ladder)trans-98135.8174.3-64.9-79.4000109.5T218 Y351 H371 I372 K373T218-Y220 WeakPolarHBondContact O-CD2 3.43Å; Y220-Y351 HydrophobicContact CD2-CE1 4.32Å; Y220-Y351 HydrophobicContact CG-CE1 4.25Å; Y220-Y351 VanDerWaalsContact O-CB 3.27Å; Y220-Y351 WeakPolarHBondContact O-CB 3.29Å; Y220-H371 AromaticContact CD1-CD2 3.36Å; Y220-H371 WeakPolarHBondContact CD1-CD2 3.37Å; Y220-H371 AromaticContact CD1-NE2 3.84Å; Y220-H371 AromaticContact CE1-CD2 3.86Å; Y220-H371 AromaticContact CE1-NE2 3.88Å; Y220-I372 WeakPolarHBondContact CA-O 3.42Å; Y220-K373 HydrophobicContact CD1-CB 4.2Å; Y220-K373 HydrophobicContact CD1-CG 4.46Å; Y220-K373 HydrophobicContact CE1-CB 4.04Å; Y220-K373 HydrophobicContact CE1-CG 4.09Å
221I92.1Very high75.7Confident33 Ų3367.3 Ų67.317%0.16942%0.421CS..EExtended strand (participates in β ladder)trans-123.3150172.466.6172.5000109.7K288 H371 I372 C374I221-K288 HydrophobicContact CD1-CG 4.15Å; I221-H371 CarbonylContact O-C 3.59Å; I221-H371 WeakPolarHBondContact O-CA 3.38Å; I221-H371 WeakPolarHBondContact O-CB 3.37Å; I221-I372 HydrophobicContact CD1-CD1 3.68Å; I221-I372 HydrophobicContact CD1-CG1 3.93Å; I221-I372 HydrophobicContact CG1-CD1 3.7Å; I221-I372 HydrophobicContact CG1-CG1 3.33Å; I221-I372 PolarHBondContact N-O 3.17Å; I221-I372 PolarHBondContact O-N 3.13Å; I221-C374 WeakPolarHBondContact CD1-SG 3.49Å
222L94.4Very high77.8Confident15 Ų1564.2 Ų64.28%0.07940%0.398CS..EExtended strand (participates in β ladder)trans-69.8151.4170.6-64.5172.9000109.1P224 C346 T349 Y351 V354L222-P224 WeakPolarHBondContact O-CD 3.03Å; L222-P224 VanDerWaalsContact O-N 3.14Å; L222-C346 HydrophobicContact CD1-CB 4.08Å; L222-T349 HydrophobicContact CD1-CG2 4.07Å; L222-Y351 HydrophobicContact CD2-CD2 3.9Å; L222-Y351 HydrophobicContact CG-CD2 4.37Å; L222-V354 HydrophobicContact CD1-CG2 4.32Å
223V95Very high80.5Confident4 Ų460.3 Ų60.32%0.02438%0.382CS..  trans-58.1118.3172.2174.80000108.7D225 L226 I229 L267 F268 F290 Y370 I372V223-D225 VanDerWaalsContact C-N 3.33Å; V223-D225 PolarHBondContact O-N 2.85Å; V223-L226 HydrophobicContact CB-CB 4.28Å; V223-L226 HydrophobicContact CG1-CB 4.38Å; V223-L226 WeakPolarHBondContact O-CB 3.45Å; V223-L226 PolarHBondContact O-N 3.29Å; V223-I229 HydrophobicContact CG1-CD1 3.96Å; V223-L267 HydrophobicContact CG2-CD1 3.35Å; V223-F268 HydrophobicContact CG1-CE2 4.16Å; V223-F268 HydrophobicContact CG2-CE2 4.16Å; V223-F290 HydrophobicContact CG1-CZ 4.44Å; V223-Y370 PolarHBondContact N-O 3.42Å; V223-I372 HydrophobicContact CG2-CG2 4.07Å
224P91.1Very high82.8Confident73 Ų7356.1 Ų56.147%0.47434%0.339SS..THydrogen-bonded Turntrans-66.7-33.2-167.424.4-33.9000113L222 F290L222-P224 WeakPolarHBondContact O-CD 3.03Å; L222-P224 VanDerWaalsContact O-N 3.14Å; P224-F290 HydrophobicContact CG-CE2 4.32Å
225D95Very high85.9Confident4 Ų451.6 Ų51.62%0.02130%0.301CS..THydrogen-bonded Turntrans-104.124-177.469.4-37.3000113.5V223 L227 Q228 I229 S304 V305 T306V223-D225 VanDerWaalsContact C-N 3.33Å; V223-D225 PolarHBondContact O-N 2.85Å; D225-L227 VanDerWaalsContact C-N 3.26Å; D225-L227 PolarHBondContact O-N 3.48Å; D225-Q228 HydrophobicContact CB-CB 4.26Å; D225-Q228 HydrophobicContact CB-CG 4.39Å; D225-Q228 WeakPolarHBondContact O-CA 3.48Å; D225-Q228 WeakPolarHBondContact O-CB 3.41Å; D225-Q228 PolarHBondContact O-N 2.88Å; D225-I229 WeakPolarHBondContact O-CG1 3.45Å; D225-I229 PolarHBondContact O-N 3.33Å; D225-S304 WeakPolarHBondContact OD2-CB 3.26Å; D225-V305 PolarHBondContact OD1-N 2.81Å; D225-V305 PolarHBondContact OD2-N 2.92Å; D225-T306 WeakPolarHBondContact OD2-CB 3.44Å; D225-T306 WeakPolarHBondContact OD2-CG2 3.4Å; D225-T306 PolarHBondContact OD2-N 2.72Å; D225-T306 PolarHBondContact OD2-OG1 2.84Å
226L96Very high88.8Confident4 Ų445.5 Ų45.52%0.02126%0.258CS..Hα-helixtrans-55.9-37.5-176.8-173.163.9000113.5V223 N230 F268 C346 Y370V223-L226 HydrophobicContact CB-CB 4.28Å; V223-L226 HydrophobicContact CG1-CB 4.38Å; V223-L226 WeakPolarHBondContact O-CB 3.45Å; V223-L226 PolarHBondContact O-N 3.29Å; L226-N230 WeakPolarHBondContact O-CB 3.43Å; L226-N230 PolarHBondContact O-N 3.1Å; L226-N230 PolarHBondContact O-ND2 3.35Å; L226-F268 HydrophobicContact CD1-CZ 4.31Å; L226-C346 HydrophobicContact CD2-CB 4.04Å; L226-Y370 HydrophobicContact CD1-CD1 3.83Å; L226-Y370 HydrophobicContact CD1-CE1 4.47Å; L226-Y370 HydrophobicContact CD1-CG 3.87Å; L226-Y370 HydrophobicContact CD2-CG 4.26Å
227L96.7Very high91.3Very high54 Ų5442.5 Ų42.528%0.28323%0.227SC..Hα-helixtrans-66.6-41.1175.3-179.161.8000111.7D225 N230 N231 A343 V344D225-L227 VanDerWaalsContact C-N 3.26Å; D225-L227 PolarHBondContact O-N 3.48Å; L227-N230 PolarHBondContact O-N 3.35Å; L227-N231 VanDerWaalsContact O-CG 3.27Å; L227-N231 PolarHBondContact O-N 2.73Å; L227-N231 PolarHBondContact O-ND2 3.5Å; L227-A343 HydrophobicContact CD1-CB 4.13Å; L227-V344 HydrophobicContact CD1-CG2 4.07Å
228Q97.1Very high93.4Very high111 Ų11140.8 Ų40.852%0.51922%0.221SC..Hα-helixtrans-66.9-41.4178.2-56.8-174.531.200111.2D225 N230 N231 N232 T306D225-Q228 HydrophobicContact CB-CB 4.26Å; D225-Q228 HydrophobicContact CB-CG 4.39Å; D225-Q228 WeakPolarHBondContact O-CA 3.48Å; D225-Q228 WeakPolarHBondContact O-CB 3.41Å; D225-Q228 PolarHBondContact O-N 2.88Å; Q228-N230 VanDerWaalsContact C-N 3.29Å; Q228-N230 PolarHBondContact O-N 2.87Å; Q228-N231 PolarHBondContact O-N 3.35Å; Q228-N232 PolarHBondContact O-N 3.03Å; Q228-T306 HydrophobicContact CB-CG2 3.98Å
229I97.4Very high95.1Very high0 Ų039.1 Ų39.10%021%0.21CC..Hα-helixtrans-56.7-46172.6-66.6169.9000110.3V223 D225 N231 N232 Y235 L258 F268 V305 T306V223-I229 HydrophobicContact CG1-CD1 3.96Å; D225-I229 WeakPolarHBondContact O-CG1 3.45Å; D225-I229 PolarHBondContact O-N 3.33Å; I229-N231 PolarHBondContact O-N 3.13Å; I229-N232 WeakPolarHBondContact O-CB 3.44Å; I229-N232 PolarHBondContact O-N 3.33Å; I229-N232 VanDerWaalsContact O-N 3.16Å; I229-Y235 HydrophobicContact CG2-CD1 3.74Å; I229-Y235 HydrophobicContact CG2-CD2 3.82Å; I229-Y235 HydrophobicContact CG2-CE1 4.05Å; I229-Y235 HydrophobicContact CG2-CE2 4.12Å; I229-Y235 HydrophobicContact CG2-CG 3.61Å; I229-Y235 VanDerWaalsContact O-CB 3.25Å; I229-Y235 WeakPolarHBondContact O-CB 3.46Å; I229-L258 HydrophobicContact CG2-CD2 3.69Å; I229-F268 HydrophobicContact CD1-CE2 3.85Å; I229-F268 HydrophobicContact CD1-CZ 3.84Å; I229-F268 HydrophobicContact CG2-CE1 4.48Å; I229-V305 HydrophobicContact CD1-CB 3.76Å; I229-V305 HydrophobicContact CD1-CG1 4.17Å; I229-V305 HydrophobicContact CD1-CG2 3.99Å; I229-V305 HydrophobicContact CG1-CB 4.23Å; I229-V305 HydrophobicContact CG1-CG1 4.45Å; I229-T306 HydrophobicContact CG1-CG2 4Å
230N97Very high95.6Very high6 Ų637.8 Ų37.83%0.03220%0.203CC..Hα-helixtrans-65.2-36.5-179.2-95.4-82.5000114.3L226 L227 Q228 N232 F335 H339 A343L226-N230 WeakPolarHBondContact O-CB 3.43Å; L226-N230 PolarHBondContact O-N 3.1Å; L226-N230 PolarHBondContact O-ND2 3.35Å; L227-N230 PolarHBondContact O-N 3.35Å; Q228-N230 VanDerWaalsContact C-N 3.29Å; Q228-N230 PolarHBondContact O-N 2.87Å; N230-N232 VanDerWaalsContact C-N 3.28Å; N230-F335 WeakPolarHBondContact OD1-CD2 3.24Å; N230-F335 WeakPolarHBondContact OD1-CE2 3.31Å; N230-H339 PolarHBondContact OD1-CD2 3.06Å; N230-H339 PolarHBondContact OD1-NE2 3.46Å; N230-A343 HydrophobicContact CB-CB 3.99Å
231N96Very high95.9Very high114 Ų11440 Ų4061%0.6121%0.211SC*.Hα-helixtrans-77.2-16.9176.5-68.1-18.8000112.3L227 Q228 I229 P233L227-N231 VanDerWaalsContact O-CG 3.27Å; L227-N231 PolarHBondContact O-N 2.73Å; L227-N231 PolarHBondContact O-ND2 3.5Å; Q228-N231 PolarHBondContact O-N 3.35Å; I229-N231 PolarHBondContact O-N 3.13Å; N231-P233 WeakPolarHBondContact O-CD 3.11Å
232N95.8Very high96.1Very high44 Ų4445.4 Ų45.424%0.23523%0.233CC..  trans-74.1121.5177.8-168-29.1000110.4Q228 I229 N230 C234 Y235Q228-N232 PolarHBondContact O-N 3.03Å; I229-N232 WeakPolarHBondContact O-CB 3.44Å; I229-N232 PolarHBondContact O-N 3.33Å; I229-N232 VanDerWaalsContact O-N 3.16Å; N230-N232 VanDerWaalsContact C-N 3.28Å; N232-C234 PolarHBondContact O-N 3.46Å; N232-C234 VanDerWaalsContact O-N 3.11Å; N232-C234 PolarHBondContact OD1-N 3Å; N232-C234 PolarHBondContact OD1-SG 3.5Å; N232-Y235 PolarHBondContact O-N 3.06Å; N232-Y235 VanDerWaalsContact O-N 3.09Å
233P95.8Very high96.3Very high74 Ų7448.1 Ų48.148%0.48125%0.246SC..THydrogen-bonded Turntrans-63.2-19.8-179.626.5-36000113.2N231 Y235 P330 R331N231-P233 WeakPolarHBondContact O-CD 3.11Å; P233-Y235 VanDerWaalsContact C-N 3.25Å; P233-Y235 PolarHBondContact O-N 3.34Å; P233-P330 HydrophobicContact CB-CB 4.23Å; P233-P330 CarbonylContact O-C 3.55Å; P233-P330 WeakPolarHBondContact O-CA 3.34Å; P233-R331 WeakPolarHBondContact O-CB 3.43Å; P233-R331 PolarHBondContact O-N 3.02Å
234C97Very high96.4Very high0 Ų048 Ų480%025%0.245CC..THydrogen-bonded Turntrans-78.9-4.8177.882.30000114.2N232 W236 F256 L258 P328N232-C234 PolarHBondContact O-N 3.46Å; N232-C234 VanDerWaalsContact O-N 3.11Å; N232-C234 PolarHBondContact OD1-N 3Å; N232-C234 PolarHBondContact OD1-SG 3.5Å; C234-W236 VanDerWaalsContact O-CD1 3.3Å; C234-F256 HydrophobicContact CB-CE2 4.31Å; C234-L258 PolarHBondContact O-N 3.03Å; C234-P328 HydrophobicContact CB-CB 3.54Å
235Y98.4Very high96.8Very high0 Ų046.9 Ų46.90%023%0.233CC..BIsolated β-bridgetrans-88.8115.1176.5178.1-123.2000111.4I229 N232 P233 L258 D260 F268 R331 F335I229-Y235 HydrophobicContact CG2-CD1 3.74Å; I229-Y235 HydrophobicContact CG2-CD2 3.82Å; I229-Y235 HydrophobicContact CG2-CE1 4.05Å; I229-Y235 HydrophobicContact CG2-CE2 4.12Å; I229-Y235 HydrophobicContact CG2-CG 3.61Å; I229-Y235 VanDerWaalsContact O-CB 3.25Å; I229-Y235 WeakPolarHBondContact O-CB 3.46Å; N232-Y235 PolarHBondContact O-N 3.06Å; N232-Y235 VanDerWaalsContact O-N 3.09Å; P233-Y235 VanDerWaalsContact C-N 3.25Å; P233-Y235 PolarHBondContact O-N 3.34Å; Y235-L258 WeakPolarHBondContact CA-O 3.49Å; Y235-L258 HydrophobicContact CD2-CB 4.22Å; Y235-L258 HydrophobicContact CD2-CD2 3.77Å; Y235-L258 HydrophobicContact CD2-CG 3.86Å; Y235-L258 HydrophobicContact CG-CD2 4.35Å; Y235-D260 VanDerWaalsContact CE2-OD1 3.32Å; Y235-D260 WeakPolarHBondContact CE2-OD1 3.48Å; Y235-D260 PolarHBondContact OH-OD1 3.13Å; Y235-F268 HydrophobicContact CE2-CD1 4.13Å; Y235-F268 AromaticContact CE2-CE1 3.91Å; Y235-F268 HydrophobicContact CE2-CE1 3.91Å; Y235-R331 WeakPolarHBondContact O-CD 3.22Å; Y235-R331 PolarHBondContact O-NH1 3.17Å; Y235-F335 AromaticContact CD1-CE2 3.56Å; Y235-F335 HydrophobicContact CD1-CE2 3.56Å; Y235-F335 AromaticContact CD1-CZ 3.61Å; Y235-F335 HydrophobicContact CD1-CZ 3.61Å; Y235-F335 AromaticContact CE1-CE2 3.64Å; Y235-F335 HydrophobicContact CE1-CE2 3.64Å; Y235-F335 AromaticContact CE1-CZ 3.63Å; Y235-F335 HydrophobicContact CE1-CZ 3.63Å; Y235-F335 HydrophobicContact CG-CZ 4.49Å
236W98.2Very high96.9Very high11 Ų1153.7 Ų53.74%0.04227%0.265CS..  trans-94.6-6.1-176.7-75.468.9000113.8C234 L239 L247 L257 L258 L329 P330 R331 T332 F333C234-W236 VanDerWaalsContact O-CD1 3.3Å; W236-L239 HydrophobicContact CB-CB 4.31Å; W236-L239 HydrophobicContact CB-CD2 4.02Å; W236-L239 HydrophobicContact CG-CD2 4.3Å; W236-L247 HydrophobicContact CD2-CD1 4.18Å; W236-L247 HydrophobicContact CE3-CD1 3.78Å; W236-L247 HydrophobicContact CH2-CD1 3.75Å; W236-L247 HydrophobicContact CH2-CD2 4.04Å; W236-L247 HydrophobicContact CZ2-CD1 4.14Å; W236-L247 HydrophobicContact CZ3-CD1 3.55Å; W236-L247 HydrophobicContact CZ3-CD2 4.32Å; W236-L257 HydrophobicContact CG-CB 4.46Å; W236-L258 PolarHBondContact N-O 3.38Å; W236-L329 HydrophobicContact CZ2-CD2 4.03Å; W236-L329 HydrophobicContact CZ2-CG 4.11Å; W236-L329 PolarHBondContact NE1-O 2.97Å; W236-P330 VanDerWaalsContact CZ2-O 3.3Å; W236-P330 WeakPolarHBondContact CZ2-O 3.41Å; W236-R331 HydrophobicContact CD2-CB 4.33Å; W236-R331 HydrophobicContact CD2-CG 4.27Å; W236-R331 HydrophobicContact CE3-CG 4.36Å; W236-T332 HydrophobicContact CH2-CG2 4.47Å; W236-F333 AromaticContact CE3-CE1 3.72Å; W236-F333 HydrophobicContact CE3-CE1 3.72Å; W236-F333 HydrophobicContact CE3-CZ 4.42Å; W236-F333 HydrophobicContact CZ3-CD1 4.48Å; W236-F333 AromaticContact CZ3-CE1 3.91Å; W236-F333 HydrophobicContact CZ3-CE1 3.91Å
237G96.7Very high97Very high2 Ų255.9 Ų55.92%0.02128%0.277CS..SBendtrans69.6-139.3-176.200000112.1L239 R259 D260G237-L239 PolarHBondContact O-N 3.43Å; G237-R259 WeakPolarHBondContact O-CA 3.32Å; G237-D260 PolarHBondContact O-N 3.18Å
238V95.7Very high97.1Very high93 Ų9353.3 Ų53.356%0.56426%0.263SS*.SBendtrans-67.9102.8177-175.20000109.3W21W21-V238 HydrophobicContact CH2-CG1 4.33Å; W21-V238 HydrophobicContact CZ3-CG1 4.41Å
239L96.1Very high97.1Very high17 Ų1754.9 Ų54.99%0.08927%0.27CS..  trans-140.8130.2177.3-172.378.3000107.3W236 G237 E243 A244 L247 L257 R259W236-L239 HydrophobicContact CB-CB 4.31Å; W236-L239 HydrophobicContact CB-CD2 4.02Å; W236-L239 HydrophobicContact CG-CD2 4.3Å; G237-L239 PolarHBondContact O-N 3.43Å; L239-E243 HydrophobicContact CD1-CB 3.64Å; L239-E243 HydrophobicContact CD1-CG 4.5Å; L239-E243 HydrophobicContact CG-CB 4.02Å; L239-A244 HydrophobicContact CD2-CB 3.86Å; L239-L247 HydrophobicContact CD1-CD1 4.35Å; L239-L247 HydrophobicContact CD2-CD1 4Å; L239-L257 HydrophobicContact CD2-CD1 3.69Å; L239-L257 HydrophobicContact CD2-CD2 4.17Å; L239-R259 HydrophobicContact CB-CB 3.88Å; L239-R259 HydrophobicContact CD2-CB 4.47Å; L239-R259 WeakPolarHBondContact O-CD 3.32Å; L239-R259 PolarHBondContact O-NH1 3.28Å
240N95.6Very high97Very high52 Ų5258.3 Ų58.328%0.27831%0.305SS..  trans-81170.5179.475.453.8000111.4F242 E243 A244N240-F242 PolarHBondContact O-N 3.43Å; N240-F242 PolarHBondContact OD1-N 2.71Å; N240-E243 VanDerWaalsContact CG-OE2 3.3Å; N240-E243 PolarHBondContact N-OE2 3Å; N240-E243 WeakPolarHBondContact ND2-CG 3.47Å; N240-E243 PolarHBondContact ND2-OE1 2.91Å; N240-E243 PolarHBondContact ND2-OE2 3.46Å; N240-E243 WeakPolarHBondContact OD1-CG 3.49Å; N240-E243 PolarHBondContact OD1-N 3.38Å; N240-A244 PolarHBondContact O-N 3.32Å; N240-A244 VanDerWaalsContact O-N 3.15Å
241R96.6Very high97Very high129 Ų12961.6 Ų61.649%0.48732%0.32SS..Hα-helixtrans-59.9-46.1-178.5-178.3-173.7164.8171.4-2.3112.4A244 E245 H280R241-A244 WeakPolarHBondContact O-CB 3.47Å; R241-A244 PolarHBondContact O-N 3.02Å; R241-E245 IonicContact CZ-OE1 3.89Å; R241-E245 IonicContact NE-OE1 3.52Å; R241-E245 PolarHBondContact NE-OE1 3.39Å; R241-E245 IonicContact NH2-OE1 2.81Å; R241-E245 PolarHBondContact NH2-OE1 3.16Å; R241-E245 VanDerWaalsContact NH2-OE1 3.1Å; R241-E245 WeakPolarHBondContact O-CG 3.4Å; R241-E245 PolarHBondContact O-N 3.42Å; R241-H280 WeakPolarHBondContact CG-NE2 3.49Å; R241-H280 PolarHBondContact NE-CD2 3.41Å; R241-H280 PolarHBondContact NE-NE2 3.46Å
242F97.3Very high97.1Very high146 Ų14659 Ų5964%0.6431%0.31SS*.Hα-helixtrans-69.4-40.2-174.8-57.4-72.3000111.7N240 A244 E245 E246N240-F242 PolarHBondContact O-N 3.43Å; N240-F242 PolarHBondContact OD1-N 2.71Å; F242-A244 VanDerWaalsContact C-N 3.29Å; F242-A244 PolarHBondContact O-N 3.16Å; F242-E245 WeakPolarHBondContact O-CB 2.97Å; F242-E245 PolarHBondContact O-N 2.64Å; F242-E245 VanDerWaalsContact O-N 3.12Å; F242-E246 PolarHBondContact O-N 3.45Å
243E97.4Very high97.1Very high73 Ų7361 Ų6134%0.34132%0.318SS..Hα-helixtrans-61-39.6173.3-70.3168.4161.200111.5L239 N240 E246 L247L239-E243 HydrophobicContact CD1-CB 3.64Å; L239-E243 HydrophobicContact CD1-CG 4.5Å; L239-E243 HydrophobicContact CG-CB 4.02Å; N240-E243 VanDerWaalsContact CG-OE2 3.3Å; N240-E243 PolarHBondContact N-OE2 3Å; N240-E243 WeakPolarHBondContact ND2-CG 3.47Å; N240-E243 PolarHBondContact ND2-OE1 2.91Å; N240-E243 PolarHBondContact ND2-OE2 3.46Å; N240-E243 WeakPolarHBondContact OD1-CG 3.49Å; N240-E243 PolarHBondContact OD1-N 3.38Å; E243-E246 PolarHBondContact O-N 3.47Å; E243-L247 WeakPolarHBondContact O-CG 3.36Å; E243-L247 PolarHBondContact O-N 3.28Å; E243-L247 VanDerWaalsContact O-N 3.1Å
244A98.2Very high97.1Very high0 Ų057.5 Ų57.50%030%0.295CS..Hα-helixtrans-65.3-38.5173.800000112.3L239 N240 R241 F242 L247 L248 L257L239-A244 HydrophobicContact CD2-CB 3.86Å; N240-A244 PolarHBondContact O-N 3.32Å; N240-A244 VanDerWaalsContact O-N 3.15Å; R241-A244 WeakPolarHBondContact O-CB 3.47Å; R241-A244 PolarHBondContact O-N 3.02Å; F242-A244 VanDerWaalsContact C-N 3.29Å; F242-A244 PolarHBondContact O-N 3.16Å; A244-L247 PolarHBondContact O-N 3.31Å; A244-L248 WeakPolarHBondContact O-CB 3.45Å; A244-L248 VanDerWaalsContact O-CG 3.26Å; A244-L248 WeakPolarHBondContact O-CG 3.24Å; A244-L248 PolarHBondContact O-N 3.4Å; A244-L248 VanDerWaalsContact O-N 3.09Å; A244-L257 HydrophobicContact CB-CD1 4.07Å; A244-L257 HydrophobicContact CB-CD2 4.34Å
245E98.2Very high97.2Very high51 Ų5157.7 Ų57.724%0.23830%0.296CS..Hα-helixtrans-62.8-42.5175.3-71.3172.9178.100111.5R241 F242 L248 E249 H280R241-E245 IonicContact CZ-OE1 3.89Å; R241-E245 IonicContact NE-OE1 3.52Å; R241-E245 PolarHBondContact NE-OE1 3.39Å; R241-E245 IonicContact NH2-OE1 2.81Å; R241-E245 PolarHBondContact NH2-OE1 3.16Å; R241-E245 VanDerWaalsContact NH2-OE1 3.1Å; R241-E245 WeakPolarHBondContact O-CG 3.4Å; R241-E245 PolarHBondContact O-N 3.42Å; F242-E245 WeakPolarHBondContact O-CB 2.97Å; F242-E245 PolarHBondContact O-N 2.64Å; F242-E245 VanDerWaalsContact O-N 3.12Å; E245-L248 PolarHBondContact O-N 3.26Å; E245-E249 PolarHBondContact O-N 3.26Å; E245-H280 WeakPolarHBondContact CG-NE2 3.49Å; E245-H280 IonicContact OE1-CD2 3.41Å; E245-H280 IonicContact OE1-NE2 2.98Å; E245-H280 PolarHBondContact OE1-NE2 3.48Å; E245-H280 VanDerWaalsContact OE1-NE2 3.1Å
246E98.1Very high97.2Very high146 Ų14658.3 Ų58.368%0.68230%0.299SS*.Hα-helixtrans-61.7-41.9175.5-71.2-175.5175.900112.3F242 E243 L248 E249F242-E246 PolarHBondContact O-N 3.45Å; E243-E246 PolarHBondContact O-N 3.47Å; E246-L248 VanDerWaalsContact C-N 3.32Å; E246-L248 PolarHBondContact O-N 3.38Å; E246-E249 PolarHBondContact O-N 2.85Å
247L97.9Very high97.2Very high51 Ų5157.8 Ų57.827%0.26730%0.297SS..Hα-helixtrans-67.8-32178.2-71.7173000113W236 L239 E243 A244 Q251 L257 L329W236-L247 HydrophobicContact CD2-CD1 4.18Å; W236-L247 HydrophobicContact CE3-CD1 3.78Å; W236-L247 HydrophobicContact CH2-CD1 3.75Å; W236-L247 HydrophobicContact CH2-CD2 4.04Å; W236-L247 HydrophobicContact CZ2-CD1 4.14Å; W236-L247 HydrophobicContact CZ3-CD1 3.55Å; W236-L247 HydrophobicContact CZ3-CD2 4.32Å; L239-L247 HydrophobicContact CD1-CD1 4.35Å; L239-L247 HydrophobicContact CD2-CD1 4Å; E243-L247 WeakPolarHBondContact O-CG 3.36Å; E243-L247 PolarHBondContact O-N 3.28Å; E243-L247 VanDerWaalsContact O-N 3.1Å; A244-L247 PolarHBondContact O-N 3.31Å; L247-Q251 WeakPolarHBondContact O-CG 3.46Å; L247-L257 HydrophobicContact CB-CD2 4.33Å; L247-L257 HydrophobicContact CD1-CD2 4.18Å; L247-L329 HydrophobicContact CB-CD2 3.93Å
248L98.1Very high97.3Very high0 Ų057.7 Ų57.70%030%0.296CS..Hα-helixtrans-89-9.5-179.4-67.9171.3000113.1A244 E245 E246 G250 Q251 T255 L257 R273 L329A244-L248 WeakPolarHBondContact O-CB 3.45Å; A244-L248 VanDerWaalsContact O-CG 3.26Å; A244-L248 WeakPolarHBondContact O-CG 3.24Å; A244-L248 PolarHBondContact O-N 3.4Å; A244-L248 VanDerWaalsContact O-N 3.09Å; E245-L248 PolarHBondContact O-N 3.26Å; E246-L248 VanDerWaalsContact C-N 3.32Å; E246-L248 PolarHBondContact O-N 3.38Å; L248-G250 PolarHBondContact O-N 3.02Å; L248-Q251 WeakPolarHBondContact O-CB 3.38Å; L248-Q251 PolarHBondContact O-N 3.35Å; L248-Q251 VanDerWaalsContact O-N 3.16Å; L248-T255 HydrophobicContact CD2-CG2 3.86Å; L248-L257 HydrophobicContact CG-CD2 4.31Å; L248-R273 WeakPolarHBondContact O-CD 3.19Å; L248-L329 HydrophobicContact CD2-CD2 4.46Å
249E97.3Very high97.4Very high144 Ų14453.8 Ų53.867%0.67327%0.271SS*.THydrogen-bonded Turntrans-61.4129.7178.2-168.9174.6-16200110.7E245 E246 Q251E245-E249 PolarHBondContact O-N 3.26Å; E246-E249 PolarHBondContact O-N 2.85Å; E249-Q251 PolarHBondContact O-N 3.21Å; E249-Q251 VanDerWaalsContact O-N 3.12Å
250G95.4Very high97.5Very high71 Ų7153.5 Ų53.573%0.73227%0.27SS*.THydrogen-bonded Turntrans70.2-0.2-178.200000115.7L248L248-G250 PolarHBondContact O-N 3.02Å
251Q97.8Very high97.5Very high75 Ų7551.4 Ų51.435%0.3526%0.259SS..PPolyproline II helixtrans-72.3153.4174.9-64-60.1-25.100111.5L247 L248 E249 T255L247-Q251 WeakPolarHBondContact O-CG 3.46Å; L248-Q251 WeakPolarHBondContact O-CB 3.38Å; L248-Q251 PolarHBondContact O-N 3.35Å; L248-Q251 VanDerWaalsContact O-N 3.16Å; E249-Q251 PolarHBondContact O-N 3.21Å; E249-Q251 VanDerWaalsContact O-N 3.12Å; Q251-T255 HydrophobicContact CB-CG2 3.91Å; Q251-T255 HydrophobicContact CG-CG2 4.15Å
252P97.1Very high97.2Very high59 Ų5948.1 Ų48.138%0.38326%0.26SS..PPolyproline II helixtrans-65.8157.2175.927.1-33.1000111.4T255P252-T255 WeakPolarHBondContact CD-OG1 3.36Å; P252-T255 WeakPolarHBondContact CG-OG1 3.42Å; P252-T255 VanDerWaalsContact O-CB 3.26Å; P252-T255 WeakPolarHBondContact O-CB 3.41Å; P252-T255 PolarHBondContact O-N 3.45Å; P252-T255 PolarHBondContact O-OG1 3.26Å
253E95.9Very high96.9Very high87 Ų8744.5 Ų44.541%0.40725%0.245SC..THydrogen-bonded Turntrans-57.1143.7174177.9155.2-150.200112T255 R274 Y275 L324E253-T255 VanDerWaalsContact C-N 3.26Å; E253-T255 PolarHBondContact O-N 2.99Å; E253-R274 HydrophobicContact CG-CG 4.38Å; E253-R274 WeakPolarHBondContact OE1-CG 3.4Å; E253-Y275 PolarHBondContact OE1-N 2.76Å; E253-L324 HydrophobicContact CG-CD2 4.07Å
254G96.2Very high96.4Very high0 Ų044.8 Ų44.80%025%0.248CC..THydrogen-bonded Turntrans82.4-4.2-173.300000114.5F256 R273 L324 S326 R327G254-F256 PolarHBondContact O-N 2.8Å; G254-R273 PolarHBondContact N-O 3.26Å; G254-L324 WeakPolarHBondContact CA-O 3.33Å; G254-S326 WeakPolarHBondContact CA-OG 3.37Å; G254-S326 PolarHBondContact O-N 3.3Å; G254-R327 PolarHBondContact O-N 3.33Å
255T98.3Very high96Very high5 Ų549.9 Ų49.93%0.03127%0.273CS..EExtended strand (participates in β ladder)trans-68.4128.4173.9-52.80000110.6L248 Q251 P252 E253 F272 R273 R327 L329L248-T255 HydrophobicContact CD2-CG2 3.86Å; Q251-T255 HydrophobicContact CB-CG2 3.91Å; Q251-T255 HydrophobicContact CG-CG2 4.15Å; P252-T255 WeakPolarHBondContact CD-OG1 3.36Å; P252-T255 WeakPolarHBondContact CG-OG1 3.42Å; P252-T255 VanDerWaalsContact O-CB 3.26Å; P252-T255 WeakPolarHBondContact O-CB 3.41Å; P252-T255 PolarHBondContact O-N 3.45Å; P252-T255 PolarHBondContact O-OG1 3.26Å; E253-T255 VanDerWaalsContact C-N 3.26Å; E253-T255 PolarHBondContact O-N 2.99Å; T255-F272 CarbonylContact O-C 3.54Å; T255-F272 VanDerWaalsContact O-CA 3.24Å; T255-F272 WeakPolarHBondContact O-CA 3.42Å; T255-R273 PolarHBondContact O-N 3.07Å; T255-R327 CarbonylContact C-O 3.54Å; T255-R327 VanDerWaalsContact CA-O 3.24Å; T255-R327 WeakPolarHBondContact CA-O 3.46Å; T255-L329 HydrophobicContact CG2-CB 4.06Å; T255-L329 HydrophobicContact CG2-CD1 4.32Å
256F98.5Very high95.8Very high12 Ų1249.4 Ų49.45%0.05327%0.27CS..EExtended strand (participates in β ladder)trans-143.9161.8-17680-80.2000113.7C234 G254 V270 S271 F272 L309 L325 R327 P328 L329C234-F256 HydrophobicContact CB-CE2 4.31Å; G254-F256 PolarHBondContact O-N 2.8Å; F256-V270 HydrophobicContact CB-CG1 4.28Å; F256-V270 HydrophobicContact CD2-CG1 4.03Å; F256-S271 CarbonylContact C-O 3.59Å; F256-S271 VanDerWaalsContact CA-O 3.23Å; F256-S271 WeakPolarHBondContact CA-O 3.23Å; F256-F272 HydrophobicContact CB-CB 3.64Å; F256-L309 HydrophobicContact CE2-CD1 4.46Å; F256-L325 HydrophobicContact CB-CD2 3.71Å; F256-L325 VanDerWaalsContact CD1-C 3.42Å; F256-L325 HydrophobicContact CD1-CB 3.8Å; F256-L325 HydrophobicContact CD1-CD2 4.5Å; F256-L325 WeakPolarHBondContact CD1-O 3.44Å; F256-L325 HydrophobicContact CD2-CB 4.18Å; F256-L325 HydrophobicContact CD2-CD2 4.11Å; F256-L325 VanDerWaalsContact CE1-C 3.43Å; F256-L325 HydrophobicContact CE1-CB 3.94Å; F256-L325 WeakPolarHBondContact CE1-O 3.3Å; F256-L325 HydrophobicContact CE2-CB 4.3Å; F256-L325 HydrophobicContact CG-CB 3.92Å; F256-L325 HydrophobicContact CG-CD2 3.86Å; F256-L325 HydrophobicContact CG-CG 4.43Å; F256-L325 HydrophobicContact CZ-CB 4.18Å; F256-R327 VanDerWaalsContact CD1-C 3.49Å; F256-R327 WeakPolarHBondContact CD1-O 3.45Å; F256-R327 PolarHBondContact N-O 3.34Å; F256-P328 VanDerWaalsContact CE1-CA 3.47Å; F256-P328 HydrophobicContact CE1-CB 3.86Å; F256-P328 HydrophobicContact CE1-CG 4.46Å; F256-P328 VanDerWaalsContact CE1-N 3.34Å; F256-P328 HydrophobicContact CZ-CB 3.93Å; F256-L329 WeakPolarHBondContact O-CB 3.5Å; F256-L329 PolarHBondContact O-N 3.4Å
257L98.6Very high95.7Very high0 Ų044.2 Ų44.20%025%0.246CC..EExtended strand (participates in β ladder)trans-142.3148170.461.188.5000110.8W236 L239 A244 L247 L248 R259 V270 S271 L329W236-L257 HydrophobicContact CG-CB 4.46Å; L239-L257 HydrophobicContact CD2-CD1 3.69Å; L239-L257 HydrophobicContact CD2-CD2 4.17Å; A244-L257 HydrophobicContact CB-CD1 4.07Å; A244-L257 HydrophobicContact CB-CD2 4.34Å; L247-L257 HydrophobicContact CB-CD2 4.33Å; L247-L257 HydrophobicContact CD1-CD2 4.18Å; L248-L257 HydrophobicContact CG-CD2 4.31Å; L257-R259 HydrophobicContact CD1-CB 4.07Å; L257-R259 HydrophobicContact CD1-CG 4.06Å; L257-V270 WeakPolarHBondContact O-CA 3.47Å; L257-S271 PolarHBondContact N-O 2.91Å; L257-S271 PolarHBondContact O-N 3.05Å; L257-L329 HydrophobicContact CB-CB 4.42Å; L257-L329 HydrophobicContact CD2-CD2 3.89Å
258L98.6Very high95.7Very high1 Ų142 Ų421%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-95.4136.4170-176.772000108.8I229 C234 Y235 W236 F268 V270 I283 V305 L309I229-L258 HydrophobicContact CG2-CD2 3.69Å; C234-L258 PolarHBondContact O-N 3.03Å; Y235-L258 WeakPolarHBondContact CA-O 3.49Å; Y235-L258 HydrophobicContact CD2-CB 4.22Å; Y235-L258 HydrophobicContact CD2-CD2 3.77Å; Y235-L258 HydrophobicContact CD2-CG 3.86Å; Y235-L258 HydrophobicContact CG-CD2 4.35Å; W236-L258 PolarHBondContact N-O 3.38Å; L258-F268 HydrophobicContact CD1-CB 4.02Å; L258-V270 HydrophobicContact CD1-CG2 3.85Å; L258-I283 HydrophobicContact CD1-CD1 3.61Å; L258-V305 HydrophobicContact CD1-CG1 4.28Å; L258-V305 HydrophobicContact CD2-CG1 4.09Å; L258-L309 HydrophobicContact CB-CD1 4.43Å; L258-L309 HydrophobicContact CD1-CD1 4.46Å; L258-L309 HydrophobicContact CD2-CD1 4.17Å
259R98.3Very high95.6Very high11 Ų1142.1 Ų42.14%0.04224%0.235CC..EExtended strand (participates in β ladder)trans-144.1164.4177.958.9-179.1-171.669.46110.8G237 L239 L257 F268 S269 S271G237-R259 WeakPolarHBondContact O-CA 3.32Å; L239-R259 HydrophobicContact CB-CB 3.88Å; L239-R259 HydrophobicContact CD2-CB 4.47Å; L239-R259 WeakPolarHBondContact O-CD 3.32Å; L239-R259 PolarHBondContact O-NH1 3.28Å; L257-R259 HydrophobicContact CD1-CB 4.07Å; L257-R259 HydrophobicContact CD1-CG 4.06Å; R259-F268 CarbonylContact O-C 3.45Å; R259-F268 WeakPolarHBondContact O-CA 3.45Å; R259-S269 WeakPolarHBondContact CG-O 3.33Å; R259-S269 PolarHBondContact N-O 3.41Å; R259-S269 PolarHBondContact O-N 3.13Å; R259-S269 VanDerWaalsContact O-O 3.11Å; R259-S271 PolarHBondContact NE-OG 2.82Å
260D97.4Very high95.7Very high11 Ų1135.2 Ų35.26%0.05920%0.203CC..EExtended strand (participates in β ladder)trans-65.5140.3169.6-65.5-0.6000109.1Y235 G237 L267 Y370Y235-D260 VanDerWaalsContact CE2-OD1 3.32Å; Y235-D260 WeakPolarHBondContact CE2-OD1 3.48Å; Y235-D260 PolarHBondContact OH-OD1 3.13Å; G237-D260 PolarHBondContact O-N 3.18Å; D260-L267 WeakPolarHBondContact CA-O 3.45Å; D260-Y370 PolarHBondContact OD2-OH 2.93Å
261S96.4Very high95.8Very high8 Ų831.9 Ų31.96%0.05617%0.168CC..  trans-72143174.8-174.60000109.8W21 Q263 F266 L267 S269W21-S261 VanDerWaalsContact CZ2-O 3.26Å; W21-S261 WeakPolarHBondContact CZ2-O 3.49Å; S261-Q263 PolarHBondContact O-N 2.82Å; S261-Q263 PolarHBondContact OG-N 3.46Å; S261-F266 WeakPolarHBondContact CB-O 3.31Å; S261-L267 PolarHBondContact N-O 2.7Å; S261-S269 WeakPolarHBondContact CB-OG 3.33Å; S261-S269 PolarHBondContact OG-OG 2.84Å
262A91.2Very high95.9Very high60 Ų6028.9 Ų28.950%0.49615%0.154SC..SBendtrans-81.5-2.6171.500000113W21W21-A262 VanDerWaalsContact CH2-CA 3.44Å; W21-A262 HydrophobicContact CH2-CB 3.83Å; W21-A262 HydrophobicContact CZ3-CB 3.97Å
263Q90.8Very high95.9Very high69 Ų6928 Ų2832%0.32214%0.144SC..SBendtrans-101.8135.8177.1-66.1-160.6-19.800110.6S261 E265 F266 R282S261-Q263 PolarHBondContact O-N 2.82Å; S261-Q263 PolarHBondContact OG-N 3.46Å; Q263-E265 PolarHBondContact O-N 3.04Å; Q263-F266 HydrophobicContact CB-CD2 4.06Å; Q263-F266 PolarHBondContact O-N 2.59Å; Q263-R282 VanDerWaalsContact CD-NH2 3.31Å
264D86.9Confident95.8Very high79 Ų7924.8 Ų24.842%0.42213%0.127SC..THydrogen-bonded Turntrans-66.6-18.7-175.2-73.1-42.5000114.1R19R19-D264 WeakPolarHBondContact CB-OD1 3.37Å; R19-D264 WeakPolarHBondContact CD-OD1 3.4Å; R19-D264 IonicContact NE-OD1 3.07Å; R19-D264 PolarHBondContact NE-OD1 2.95Å; R19-D264 PolarHBondContact NH2-O 2.92Å
265E89.8Confident95.8Very high108 Ų10830.4 Ų30.451%0.50515%0.15SC..THydrogen-bonded Turntrans-77.4-24.2178.3-67.967.7-138.800113.6R13 Q263R13-E265 IonicContact CZ-OE1 2.8Å; R13-E265 IonicContact NH1-OE1 2.59Å; R13-E265 PolarHBondContact NH1-OE1 2.7Å; Q263-E265 PolarHBondContact O-N 3.04Å
266F93.3Very high95.5Very high41 Ų4134.9 Ų34.918%0.1818%0.181CC..  trans-122.6139.9-172.6-55.1-83.2000109.5S261 Q263 R282 E284S261-F266 WeakPolarHBondContact CB-O 3.31Å; Q263-F266 HydrophobicContact CB-CD2 4.06Å; Q263-F266 PolarHBondContact O-N 2.59Å; F266-R282 HydrophobicContact CD1-CB 4.06Å; F266-R282 HydrophobicContact CD2-CB 4.39Å; F266-R282 HydrophobicContact CD2-CG 4.41Å; F266-R282 HydrophobicContact CE1-CB 4.39Å; F266-R282 HydrophobicContact CG-CB 4.06Å; F266-R282 HydrophobicContact CG-CG 4.48Å; F266-E284 HydrophobicContact CD1-CG 4.24Å; F266-E284 HydrophobicContact CE1-CB 4.26Å; F266-E284 HydrophobicContact CE1-CG 3.65Å
267L95.3Very high95.4Very high37 Ų3742.7 Ų42.719%0.19421%0.21CC..SBendtrans-78.9-43175.5-66.2-180000111.5V223 D260 S261 H371 I372V223-L267 HydrophobicContact CG2-CD1 3.35Å; D260-L267 WeakPolarHBondContact CA-O 3.45Å; S261-L267 PolarHBondContact N-O 2.7Å; L267-H371 WeakPolarHBondContact CD1-O 3.27Å; L267-I372 HydrophobicContact CD1-CG2 3.57Å
268F97.6Very high95.4Very high3 Ų343.9 Ų43.91%0.01322%0.218CC..EExtended strand (participates in β ladder)trans-127.4155.6-169.9-57.5-66.8000112.5V223 L226 I229 Y235 L258 R259 I283 V305 Y370V223-F268 HydrophobicContact CG1-CE2 4.16Å; V223-F268 HydrophobicContact CG2-CE2 4.16Å; L226-F268 HydrophobicContact CD1-CZ 4.31Å; I229-F268 HydrophobicContact CD1-CE2 3.85Å; I229-F268 HydrophobicContact CD1-CZ 3.84Å; I229-F268 HydrophobicContact CG2-CE1 4.48Å; Y235-F268 HydrophobicContact CE2-CD1 4.13Å; Y235-F268 AromaticContact CE2-CE1 3.91Å; Y235-F268 HydrophobicContact CE2-CE1 3.91Å; L258-F268 HydrophobicContact CD1-CB 4.02Å; R259-F268 CarbonylContact O-C 3.45Å; R259-F268 WeakPolarHBondContact O-CA 3.45Å; F268-I283 HydrophobicContact CB-CB 4.4Å; F268-I283 HydrophobicContact CB-CD1 3.85Å; F268-I283 PolarHBondContact O-N 3.19Å; F268-I283 VanDerWaalsContact O-N 3.1Å; F268-V305 HydrophobicContact CD2-CG2 4.02Å; F268-V305 HydrophobicContact CE2-CG2 4.24Å; F268-Y370 AromaticContact CE1-CD1 3.99Å; F268-Y370 HydrophobicContact CE1-CD1 3.99Å; F268-Y370 AromaticContact CE1-CE1 3.78Å; F268-Y370 HydrophobicContact CE1-CE1 3.78Å; F268-Y370 AromaticContact CZ-CD1 3.65Å; F268-Y370 HydrophobicContact CZ-CD1 3.65Å; F268-Y370 AromaticContact CZ-CE1 3.94Å; F268-Y370 HydrophobicContact CZ-CE1 3.94Å
269S97.9Very high95.3Very high3 Ų346.9 Ų46.92%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-141.2144169.6-64.90000109.6R259 S261 A281R259-S269 WeakPolarHBondContact CG-O 3.33Å; R259-S269 PolarHBondContact N-O 3.41Å; R259-S269 PolarHBondContact O-N 3.13Å; R259-S269 VanDerWaalsContact O-O 3.11Å; S261-S269 WeakPolarHBondContact CB-OG 3.33Å; S261-S269 PolarHBondContact OG-OG 2.84Å; S269-A281 CarbonylContact C-O 3.47Å; S269-A281 WeakPolarHBondContact CA-O 3.37Å
270V98.2Very high95.2Very high0 Ų048.9 Ų48.90%024%0.244CC..EExtended strand (participates in β ladder)trans-98.7133.5170.7-175.30000108.2F256 L257 L258 F272 H280 A281 I283 F292 L309 L325F256-V270 HydrophobicContact CB-CG1 4.28Å; F256-V270 HydrophobicContact CD2-CG1 4.03Å; L257-V270 WeakPolarHBondContact O-CA 3.47Å; L258-V270 HydrophobicContact CD1-CG2 3.85Å; V270-F272 HydrophobicContact CG1-CD1 4.38Å; V270-H280 CarbonylContact O-C 3.5Å; V270-H280 VanDerWaalsContact O-CA 3.29Å; V270-H280 WeakPolarHBondContact O-CA 3.37Å; V270-A281 PolarHBondContact N-O 2.94Å; V270-A281 PolarHBondContact O-N 2.91Å; V270-I283 HydrophobicContact CG2-CD1 3.83Å; V270-I283 HydrophobicContact CG2-CG1 4.27Å; V270-F292 HydrophobicContact CB-CE1 4.28Å; V270-F292 HydrophobicContact CG2-CE1 3.86Å; V270-F292 HydrophobicContact CG2-CZ 3.98Å; V270-L309 HydrophobicContact CG2-CD2 3.49Å; V270-L309 VanDerWaalsContact CG2-CD2 3.49Å; V270-L325 HydrophobicContact CG1-CD1 4.11Å; V270-L325 HydrophobicContact CG1-CD2 3.5Å; V270-L325 HydrophobicContact CG1-CG 4.48Å
271S98.4Very high95.2Very high0 Ų049.1 Ų49.10%025%0.247CC..EExtended strand (participates in β ladder)trans-114.1129.4170.1-52.20000107.8F256 L257 R259 L279 H280F256-S271 CarbonylContact C-O 3.59Å; F256-S271 VanDerWaalsContact CA-O 3.23Å; F256-S271 WeakPolarHBondContact CA-O 3.23Å; L257-S271 PolarHBondContact N-O 2.91Å; L257-S271 PolarHBondContact O-N 3.05Å; R259-S271 PolarHBondContact NE-OG 2.82Å; S271-L279 WeakPolarHBondContact CA-O 3.48Å; S271-H280 VanDerWaalsContact CB-ND1 3.33Å; S271-H280 WeakPolarHBondContact CB-ND1 3.38Å; S271-H280 PolarHBondContact OG-ND1 2.59Å
272F98.2Very high95.2Very high12 Ų1254.1 Ų54.15%0.05327%0.265CS..EExtended strand (participates in β ladder)trans-145.4158.9-171.664.5-82.4000112T255 F256 V270 R274 S278 L279 A281 P323 L325T255-F272 CarbonylContact O-C 3.54Å; T255-F272 VanDerWaalsContact O-CA 3.24Å; T255-F272 WeakPolarHBondContact O-CA 3.42Å; F256-F272 HydrophobicContact CB-CB 3.64Å; V270-F272 HydrophobicContact CG1-CD1 4.38Å; F272-R274 HydrophobicContact CD2-CB 4.07Å; F272-R274 HydrophobicContact CE2-CB 3.95Å; F272-S278 WeakPolarHBondContact O-CA 3.03Å; F272-L279 HydrophobicContact CD1-CB 4.35Å; F272-L279 HydrophobicContact CD2-CB 4.31Å; F272-L279 HydrophobicContact CE1-CB 3.84Å; F272-L279 HydrophobicContact CE2-CB 3.8Å; F272-L279 HydrophobicContact CE2-CD1 3.79Å; F272-L279 HydrophobicContact CE2-CG 4.37Å; F272-L279 HydrophobicContact CZ-CB 3.54Å; F272-L279 HydrophobicContact CZ-CD1 3.98Å; F272-L279 HydrophobicContact CZ-CG 4.42Å; F272-L279 PolarHBondContact N-O 3.09Å; F272-L279 PolarHBondContact O-N 2.91Å; F272-A281 HydrophobicContact CE1-CB 4.17Å; F272-P323 HydrophobicContact CD1-CB 4.29Å; F272-P323 HydrophobicContact CE1-CB 3.91Å; F272-P323 HydrophobicContact CE1-CG 4.36Å; F272-P323 HydrophobicContact CE2-CB 4.38Å; F272-P323 HydrophobicContact CZ-CB 3.95Å; F272-P323 HydrophobicContact CZ-CG 4.38Å; F272-L325 HydrophobicContact CB-CD2 3.83Å; F272-L325 HydrophobicContact CD1-CD2 4.3Å; F272-L325 HydrophobicContact CG-CD2 4.07Å
273R97.6Very high95.5Very high42 Ų4251.6 Ų51.616%0.15824%0.243CC..EExtended strand (participates in β ladder)trans-102.3120.9179.5-165.875.5175.8166.40.3109.8L248 G254 T255 S276 R277 S278L248-R273 WeakPolarHBondContact O-CD 3.19Å; G254-R273 PolarHBondContact N-O 3.26Å; T255-R273 PolarHBondContact O-N 3.07Å; R273-S276 VanDerWaalsContact CZ-C 3.42Å; R273-S276 VanDerWaalsContact CZ-O 3.23Å; R273-S276 PolarHBondContact NH2-O 3.41Å; R273-R277 WeakPolarHBondContact CA-O 3.29Å; R273-R277 WeakPolarHBondContact CD-O 3.49Å; R273-S278 VanDerWaalsContact NH1-N 3.17Å; R273-S278 PolarHBondContact NH1-OG 3.42Å
274R95.4Very high95.7Very high18 Ų1850.6 Ų50.67%0.06824%0.238CC..EExtended strand (participates in β ladder)trans-146.7143.2175.5-155.7179.3-175.8168.36.9110.8E253 F272 S276 R277 L279 L319 F320 E322E253-R274 HydrophobicContact CG-CG 4.38Å; E253-R274 WeakPolarHBondContact OE1-CG 3.4Å; F272-R274 HydrophobicContact CD2-CB 4.07Å; F272-R274 HydrophobicContact CE2-CB 3.95Å; R274-S276 PolarHBondContact O-N 2.96Å; R274-S276 VanDerWaalsContact O-N 3.15Å; R274-R277 PolarHBondContact N-O 2.92Å; R274-R277 WeakPolarHBondContact O-CA 3.43Å; R274-R277 PolarHBondContact O-N 3.47Å; R274-L279 HydrophobicContact CB-CD1 4.02Å; R274-L319 PolarHBondContact NH1-O 2.97Å; R274-L319 PolarHBondContact NH2-O 3.18Å; R274-F320 VanDerWaalsContact CZ-O 3.3Å; R274-F320 VanDerWaalsContact NH1-C 3.27Å; R274-F320 PolarHBondContact NH1-O 3.25Å; R274-F320 VanDerWaalsContact NH1-O 3.09Å; R274-E322 PolarHBondContact NH1-O 3.39Å
275Y94.2Very high95.8Very high119 Ų11949.5 Ų49.547%0.46723%0.23SC..THydrogen-bonded Turntrans50.140.2-178.3-49.4-58.9000113.8E253 R277 F320E253-Y275 PolarHBondContact OE1-N 2.76Å; Y275-R277 PolarHBondContact O-N 3.07Å; Y275-R277 VanDerWaalsContact O-N 3.16Å; Y275-F320 WeakPolarHBondContact CE2-O 3.39Å; Y275-F320 VanDerWaalsContact OH-CA 3.27Å; Y275-F320 WeakPolarHBondContact OH-CA 3.38Å; Y275-F320 VanDerWaalsContact OH-CB 3.31Å; Y275-F320 WeakPolarHBondContact OH-CB 3.32Å; Y275-F320 PolarHBondContact OH-O 2.97Å
276S93.2Very high95.7Very high98 Ų9847.9 Ų47.969%0.68523%0.225SC*.THydrogen-bonded Turntrans5725.3-174.9-57.60000114.8R273 R274R273-S276 VanDerWaalsContact CZ-C 3.42Å; R273-S276 VanDerWaalsContact CZ-O 3.23Å; R273-S276 PolarHBondContact NH2-O 3.41Å; R274-S276 PolarHBondContact O-N 2.96Å; R274-S276 VanDerWaalsContact O-N 3.15Å
277R96Very high95.3Very high177 Ų17746.9 Ų46.967%0.66823%0.227SC*.EExtended strand (participates in β ladder)trans-127.3148.6176.4-65.4-178.6-179.2-1200.4110.8R273 R274 Y275 L279R273-R277 WeakPolarHBondContact CA-O 3.29Å; R273-R277 WeakPolarHBondContact CD-O 3.49Å; R274-R277 PolarHBondContact N-O 2.92Å; R274-R277 WeakPolarHBondContact O-CA 3.43Å; R274-R277 PolarHBondContact O-N 3.47Å; Y275-R277 PolarHBondContact O-N 3.07Å; Y275-R277 VanDerWaalsContact O-N 3.16Å; R277-L279 HydrophobicContact CB-CD2 4.41Å
278S97.8Very high94.8Very high24 Ų2449.5 Ų49.517%0.16824%0.237CC..EExtended strand (participates in β ladder)trans-88.1121.6170.2-56.80000107.7F272 R273F272-S278 WeakPolarHBondContact O-CA 3.03Å; R273-S278 VanDerWaalsContact NH1-N 3.17Å; R273-S278 PolarHBondContact NH1-OG 3.42Å
279L97.3Very high94.6Very high64 Ų6456.5 Ų56.534%0.33526%0.263SS..EExtended strand (participates in β ladder)trans-119.4160.5-177.7-60.7178.1000109.6S271 F272 R274 R277S271-L279 WeakPolarHBondContact CA-O 3.48Å; F272-L279 HydrophobicContact CD1-CB 4.35Å; F272-L279 HydrophobicContact CD2-CB 4.31Å; F272-L279 HydrophobicContact CE1-CB 3.84Å; F272-L279 HydrophobicContact CE2-CB 3.8Å; F272-L279 HydrophobicContact CE2-CD1 3.79Å; F272-L279 HydrophobicContact CE2-CG 4.37Å; F272-L279 HydrophobicContact CZ-CB 3.54Å; F272-L279 HydrophobicContact CZ-CD1 3.98Å; F272-L279 HydrophobicContact CZ-CG 4.42Å; F272-L279 PolarHBondContact N-O 3.09Å; F272-L279 PolarHBondContact O-N 2.91Å; R274-L279 HydrophobicContact CB-CD1 4.02Å; R277-L279 HydrophobicContact CB-CD2 4.41Å
280H97.3Very high94.4Very high53 Ų5356.6 Ų56.625%0.24526%0.263CS..EExtended strand (participates in β ladder)trans-137.2134.5-178.9-50.1-81000110.3R241 E245 V270 S271R241-H280 WeakPolarHBondContact CG-NE2 3.49Å; R241-H280 PolarHBondContact NE-CD2 3.41Å; R241-H280 PolarHBondContact NE-NE2 3.46Å; E245-H280 WeakPolarHBondContact CG-NE2 3.49Å; E245-H280 IonicContact OE1-CD2 3.41Å; E245-H280 IonicContact OE1-NE2 2.98Å; E245-H280 PolarHBondContact OE1-NE2 3.48Å; E245-H280 VanDerWaalsContact OE1-NE2 3.1Å; V270-H280 CarbonylContact O-C 3.5Å; V270-H280 VanDerWaalsContact O-CA 3.29Å; V270-H280 WeakPolarHBondContact O-CA 3.37Å; S271-H280 VanDerWaalsContact CB-ND1 3.33Å; S271-H280 WeakPolarHBondContact CB-ND1 3.38Å; S271-H280 PolarHBondContact OG-ND1 2.59Å
281A96.7Very high94.3Very high16 Ų1656.6 Ų56.613%0.13226%0.263CS..EExtended strand (participates in β ladder)trans-123.8131.5173.400000108.9S269 V270 F272 F292 P323S269-A281 CarbonylContact C-O 3.47Å; S269-A281 WeakPolarHBondContact CA-O 3.37Å; V270-A281 PolarHBondContact N-O 2.94Å; V270-A281 PolarHBondContact O-N 2.91Å; F272-A281 HydrophobicContact CE1-CB 4.17Å; A281-F292 HydrophobicContact CB-CD1 3.48Å; A281-F292 VanDerWaalsContact CB-CD1 3.48Å; A281-F292 HydrophobicContact CB-CE1 3.75Å; A281-F292 HydrophobicContact CB-CG 4.24Å; A281-P323 HydrophobicContact CB-CG 4.13Å
282R96.7Very high94.1Very high113 Ų11357.8 Ų57.843%0.42627%0.268SS..EExtended strand (participates in β ladder)trans-84.4140.6174.2-62.3-175.5-168.8131.58.9108.2Q263 F266 E284Q263-R282 VanDerWaalsContact CD-NH2 3.31Å; F266-R282 HydrophobicContact CD1-CB 4.06Å; F266-R282 HydrophobicContact CD2-CB 4.39Å; F266-R282 HydrophobicContact CD2-CG 4.41Å; F266-R282 HydrophobicContact CE1-CB 4.39Å; F266-R282 HydrophobicContact CG-CB 4.06Å; F266-R282 HydrophobicContact CG-CG 4.48Å; R282-E284 PolarHBondContact O-N 3.3Å
283I96.6Very high93.8Very high7 Ų760 Ų604%0.03628%0.28CS..  trans-89.6112174.1-64162.7000106.5L258 F268 V270 F290 F292 V305 L308L258-I283 HydrophobicContact CD1-CD1 3.61Å; F268-I283 HydrophobicContact CB-CB 4.4Å; F268-I283 HydrophobicContact CB-CD1 3.85Å; F268-I283 PolarHBondContact O-N 3.19Å; F268-I283 VanDerWaalsContact O-N 3.1Å; V270-I283 HydrophobicContact CG2-CD1 3.83Å; V270-I283 HydrophobicContact CG2-CG1 4.27Å; I283-F290 HydrophobicContact CG2-CB 3.92Å; I283-F290 HydrophobicContact CG2-CD1 3.89Å; I283-F290 HydrophobicContact CG2-CG 4.31Å; I283-F292 HydrophobicContact CG1-CD1 4.19Å; I283-F292 HydrophobicContact CG1-CE1 3.68Å; I283-F292 HydrophobicContact CG1-CZ 4.45Å; I283-V305 HydrophobicContact CD1-CG1 3.77Å; I283-L308 HydrophobicContact CG1-CD2 4.23Å; I283-L308 HydrophobicContact CG2-CD2 3.92Å
284E94.9Very high93.3Very high49 Ų4959.7 Ų59.723%0.22928%0.283CS..EExtended strand (participates in β ladder)trans-89157.7176.5-48.9-155.414600109.7F266 R282 F290 S291 V294F266-E284 HydrophobicContact CD1-CG 4.24Å; F266-E284 HydrophobicContact CE1-CB 4.26Å; F266-E284 HydrophobicContact CE1-CG 3.65Å; R282-E284 PolarHBondContact O-N 3.3Å; E284-F290 WeakPolarHBondContact O-CA 3.25Å; E284-S291 PolarHBondContact N-O 3.34Å; E284-S291 PolarHBondContact O-N 3.43Å; E284-V294 HydrophobicContact CB-CB 4.33Å; E284-V294 HydrophobicContact CB-CG2 3.49Å; E284-V294 VanDerWaalsContact CB-CG2 3.49Å; E284-V294 WeakPolarHBondContact OE2-CB 3.32Å; E284-V294 PolarHBondContact OE2-N 2.94Å
285Q90.4Very high92.9Very high55 Ų5569.5 Ų69.526%0.25732%0.32SS..EExtended strand (participates in β ladder)trans-132.7133.8-178.1172.5-102-3400109.8G287 R289 F290 I372 K373Q285-G287 PolarHBondContact NE2-O 3.42Å; Q285-R289 WeakPolarHBondContact CA-O 3.41Å; Q285-F290 HydrophobicContact CB-CD1 4.07Å; Q285-F290 HydrophobicContact CB-CE1 4.17Å; Q285-F290 HydrophobicContact CG-CD1 4.37Å; Q285-F290 HydrophobicContact CG-CE1 4.16Å; Q285-I372 HydrophobicContact CG-CB 3.96Å; Q285-I372 HydrophobicContact CG-CD1 3.84Å; Q285-I372 HydrophobicContact CG-CG1 4.46Å; Q285-I372 HydrophobicContact CG-CG2 4.09Å; Q285-K373 PolarHBondContact NE2-O 3.23Å; Q285-K373 PolarHBondContact OE1-O 3.44Å
286N86.9Confident92.6Very high74 Ų7466.7 Ų66.740%0.39631%0.313SS..EExtended strand (participates in β ladder)trans-136.3116.8174.6-175.19.9000109.3K288 R289 V294 R301N286-K288 PolarHBondContact O-N 3.44Å; N286-R289 PolarHBondContact N-O 3.29Å; N286-R289 PolarHBondContact O-N 2.89Å; N286-R289 VanDerWaalsContact O-N 3.09Å; N286-V294 HydrophobicContact CB-CB 4.43Å; N286-V294 HydrophobicContact CB-CG1 3.68Å; N286-V294 HydrophobicContact CB-CG2 3.82Å; N286-R301 PolarHBondContact ND2-NH2 2.91Å
287G84.6Confident92.2Very high20 Ų2067.4 Ų67.421%0.20632%0.316CS..THydrogen-bonded Turntrans59.6-121.7-172.600000111.5Q285Q285-G287 PolarHBondContact NE2-O 3.42Å
288K86Confident91.7Very high93 Ų9364.7 Ų64.740%0.40432%0.323SS..THydrogen-bonded Turntrans-100.418.8177.1-63.5-179.1179.2175.20113.1W202 I221 N286W202-K288 PolarHBondContact O-NZ 2.98Å; I221-K288 HydrophobicContact CD1-CG 4.15Å; N286-K288 PolarHBondContact O-N 3.44Å
289R92Very high91.2Very high150 Ų15064.8 Ų64.857%0.56632%0.32SS*.EExtended strand (participates in β ladder)trans-125.6150.5-175.1-60.7-170.2-176.3176.42.1113.1Q285 N286 R301 D302Q285-R289 WeakPolarHBondContact CA-O 3.41Å; N286-R289 PolarHBondContact N-O 3.29Å; N286-R289 PolarHBondContact O-N 2.89Å; N286-R289 VanDerWaalsContact O-N 3.09Å; R289-R301 HydrophobicContact CB-CB 4.16Å; R289-D302 CarbonylContact C-O 3.51Å; R289-D302 WeakPolarHBondContact CA-O 3.46Å
290F94.9Very high91Very high5 Ų565.7 Ų65.72%0.02232%0.32CS..EExtended strand (participates in β ladder)trans-113.2137.6179.6-59.7-81.5000110.9V223 P224 I283 E284 Q285 R301 D302 A303 V305 L308 I372V223-F290 HydrophobicContact CG1-CZ 4.44Å; P224-F290 HydrophobicContact CG-CE2 4.32Å; I283-F290 HydrophobicContact CG2-CB 3.92Å; I283-F290 HydrophobicContact CG2-CD1 3.89Å; I283-F290 HydrophobicContact CG2-CG 4.31Å; E284-F290 WeakPolarHBondContact O-CA 3.25Å; Q285-F290 HydrophobicContact CB-CD1 4.07Å; Q285-F290 HydrophobicContact CB-CE1 4.17Å; Q285-F290 HydrophobicContact CG-CD1 4.37Å; Q285-F290 HydrophobicContact CG-CE1 4.16Å; F290-R301 VanDerWaalsContact O-CA 3.27Å; F290-R301 WeakPolarHBondContact O-CA 3.4Å; F290-D302 PolarHBondContact N-O 3.48Å; F290-D302 PolarHBondContact O-N 2.8Å; F290-A303 WeakPolarHBondContact CE2-O 3.29Å; F290-V305 HydrophobicContact CD1-CG2 3.93Å; F290-V305 HydrophobicContact CD2-CG2 4.17Å; F290-V305 HydrophobicContact CE1-CG2 3.98Å; F290-V305 HydrophobicContact CE2-CG2 4.22Å; F290-V305 HydrophobicContact CG-CG2 4.02Å; F290-V305 HydrophobicContact CZ-CG2 4.12Å; F290-L308 HydrophobicContact CB-CD2 4.11Å; F290-I372 HydrophobicContact CE1-CD1 4.35Å; F290-I372 HydrophobicContact CE1-CG2 4.14Å; F290-I372 HydrophobicContact CZ-CD1 3.85Å; F290-I372 HydrophobicContact CZ-CG2 4.42Å
291S95.4Very high90.8Very high0 Ų066.4 Ų66.40%032%0.32CS..EExtended strand (participates in β ladder)trans-151.4170.1173.961.70000111.2E284 D293 Y300E284-S291 PolarHBondContact N-O 3.34Å; E284-S291 PolarHBondContact O-N 3.43Å; S291-D293 PolarHBondContact OG-O 3.23Å; S291-Y300 VanDerWaalsContact CB-O 3.24Å; S291-Y300 WeakPolarHBondContact CB-O 3.37Å
292F94.9Very high90.8Very high24 Ų2466.9 Ų66.911%0.10532%0.321CS..SBendtrans-86.2-17175.5-69.8-63.1000113.9V270 A281 I283 M299 L308 Y312 P323 L325V270-F292 HydrophobicContact CB-CE1 4.28Å; V270-F292 HydrophobicContact CG2-CE1 3.86Å; V270-F292 HydrophobicContact CG2-CZ 3.98Å; A281-F292 HydrophobicContact CB-CD1 3.48Å; A281-F292 VanDerWaalsContact CB-CD1 3.48Å; A281-F292 HydrophobicContact CB-CE1 3.75Å; A281-F292 HydrophobicContact CB-CG 4.24Å; I283-F292 HydrophobicContact CG1-CD1 4.19Å; I283-F292 HydrophobicContact CG1-CE1 3.68Å; I283-F292 HydrophobicContact CG1-CZ 4.45Å; F292-M299 HydrophobicContact CB-CE 3.96Å; F292-L308 HydrophobicContact CD2-CD1 4.44Å; F292-L308 HydrophobicContact CD2-CD2 4.49Å; F292-L308 HydrophobicContact CE2-CD1 4.36Å; F292-L308 HydrophobicContact CE2-CD2 4.23Å; F292-L308 HydrophobicContact CE2-CG 4.11Å; F292-L308 HydrophobicContact CZ-CD2 4.25Å; F292-L308 HydrophobicContact CZ-CG 4.42Å; F292-Y312 AromaticContact CD2-CD2 3.93Å; F292-Y312 HydrophobicContact CD2-CD2 3.93Å; F292-Y312 AromaticContact CD2-CE2 3.51Å; F292-Y312 HydrophobicContact CD2-CE2 3.51Å; F292-Y312 AromaticContact CD2-CZ 3.92Å; F292-Y312 AromaticContact CE2-CD2 3.44Å; F292-Y312 HydrophobicContact CE2-CD2 3.44Å; F292-Y312 VanDerWaalsContact CE2-CD2 3.44Å; F292-Y312 AromaticContact CE2-CE2 3.53Å; F292-Y312 HydrophobicContact CE2-CE2 3.53Å; F292-Y312 HydrophobicContact CE2-CG 4.09Å; F292-P323 HydrophobicContact CD1-CG 4.4Å; F292-P323 HydrophobicContact CD2-CG 3.66Å; F292-P323 HydrophobicContact CE1-CG 4.44Å; F292-P323 HydrophobicContact CE2-CB 4.17Å; F292-P323 HydrophobicContact CE2-CG 3.7Å; F292-P323 HydrophobicContact CG-CG 4.03Å; F292-P323 HydrophobicContact CZ-CB 4.38Å; F292-P323 HydrophobicContact CZ-CG 4.11Å; F292-L325 HydrophobicContact CE2-CD1 4.48Å; F292-L325 HydrophobicContact CZ-CD1 4.12Å
293D91.4Very high90.6Very high59 Ų5963.4 Ų63.432%0.31632%0.316SS..  trans-144.6122170-168.2-27.3000107.4S291 R295 D296 M299S291-D293 PolarHBondContact OG-O 3.23Å; D293-R295 WeakPolarHBondContact OD1-CA 3.33Å; D293-R295 VanDerWaalsContact OD1-CB 3.28Å; D293-R295 WeakPolarHBondContact OD1-CB 3.39Å; D293-R295 PolarHBondContact OD1-N 3.34Å; D293-D296 HydrophobicContact CB-CB 4.39Å; D293-D296 PolarHBondContact OD1-N 3.21Å; D293-M299 HydrophobicContact CB-CE 4.4Å; D293-M299 HydrophobicContact CB-CG 4.24Å
294V87.4Confident90.5Very high36 Ų3663.6 Ų63.622%0.21832%0.318CS..SBendtrans-83.8-21.7177.51600000112.2E284 N286 R301E284-V294 HydrophobicContact CB-CB 4.33Å; E284-V294 HydrophobicContact CB-CG2 3.49Å; E284-V294 VanDerWaalsContact CB-CG2 3.49Å; E284-V294 WeakPolarHBondContact OE2-CB 3.32Å; E284-V294 PolarHBondContact OE2-N 2.94Å; N286-V294 HydrophobicContact CB-CB 4.43Å; N286-V294 HydrophobicContact CB-CG1 3.68Å; N286-V294 HydrophobicContact CB-CG2 3.82Å; V294-R301 PolarHBondContact O-NH2 3.46Å
295R86.9Confident90.6Very high224 Ų22461.3 Ų61.385%0.84531%0.307SS*.SBendtrans-81.7-24.5-174.3-52.817572.4-164.51.8111.8D293 P297D293-R295 WeakPolarHBondContact OD1-CA 3.33Å; D293-R295 VanDerWaalsContact OD1-CB 3.28Å; D293-R295 WeakPolarHBondContact OD1-CB 3.39Å; D293-R295 PolarHBondContact OD1-N 3.34Å; R295-P297 WeakPolarHBondContact O-CD 3.39Å
296D87.4Confident90.9Very high60 Ų6059.2 Ų59.232%0.32130%0.298SS..  trans-89.1112.3173.4-171.1-12000111D293 C298 M299D293-D296 HydrophobicContact CB-CB 4.39Å; D293-D296 PolarHBondContact OD1-N 3.21Å; D296-C298 PolarHBondContact O-N 3.26Å; D296-C298 WeakPolarHBondContact OD1-CB 3.32Å; D296-C298 PolarHBondContact OD1-N 3.18Å; D296-M299 HydrophobicContact CB-CB 4.26Å; D296-M299 HydrophobicContact CB-CG 3.64Å; D296-M299 PolarHBondContact O-N 2.91Å
297P84.1Confident91.3Very high113 Ų11356 Ų5673%0.73428%0.283SS*.THydrogen-bonded Turntrans-67.2-21.7177.9-17.632000114R295 M299R295-P297 WeakPolarHBondContact O-CD 3.39Å; P297-M299 VanDerWaalsContact C-N 3.34Å
298C85.2Confident91.8Very high120 Ų12055 Ų5581%0.81127%0.273SS*.THydrogen-bonded Turntrans-82.5-15.2-178.5-64.80000112.5D296D296-C298 PolarHBondContact O-N 3.26Å; D296-C298 WeakPolarHBondContact OD1-CB 3.32Å; D296-C298 PolarHBondContact OD1-N 3.18Å
299M88.7Confident92.3Very high25 Ų2551 Ų5112%0.12326%0.256CS..SBendtrans-69.2139178.9-76.6-72.7-7900111.2F292 D293 D296 P297 R301F292-M299 HydrophobicContact CB-CE 3.96Å; D293-M299 HydrophobicContact CB-CE 4.4Å; D293-M299 HydrophobicContact CB-CG 4.24Å; D296-M299 HydrophobicContact CB-CB 4.26Å; D296-M299 HydrophobicContact CB-CG 3.64Å; D296-M299 PolarHBondContact O-N 2.91Å; P297-M299 VanDerWaalsContact C-N 3.34Å; M299-R301 VanDerWaalsContact O-CG 3.31Å; M299-R301 WeakPolarHBondContact O-CG 3.4Å
300Y91.9Very high92.5Very high84 Ų8451.8 Ų51.833%0.32926%0.259SS..  trans-61.2139.3178.2-177.9-99.8000111.3S291 D302 L308 H311 Y312S291-Y300 VanDerWaalsContact CB-O 3.24Å; S291-Y300 WeakPolarHBondContact CB-O 3.37Å; Y300-D302 HydrophobicContact CE1-CB 3.95Å; Y300-D302 PolarHBondContact OH-OD2 3.05Å; Y300-L308 HydrophobicContact CD1-CD1 3.95Å; Y300-L308 HydrophobicContact CE1-CD1 4.48Å; Y300-H311 HydrophobicContact CD1-CB 3.62Å; Y300-H311 AromaticContact CD1-CD2 3.44Å; Y300-H311 VanDerWaalsContact CD1-CD2 3.44Å; Y300-H311 WeakPolarHBondContact CD1-CD2 3.44Å; Y300-H311 AromaticContact CD1-CG 3.37Å; Y300-H311 AromaticContact CD1-ND1 3.93Å; Y300-H311 AromaticContact CD2-CE1 3.53Å; Y300-H311 AromaticContact CD2-CG 3.95Å; Y300-H311 AromaticContact CD2-ND1 3.64Å; Y300-H311 AromaticContact CD2-NE2 3.77Å; Y300-H311 HydrophobicContact CE1-CB 3.31Å; Y300-H311 AromaticContact CE1-CG 3.45Å; Y300-H311 VanDerWaalsContact CE1-CG 3.45Å; Y300-H311 AromaticContact CE1-ND1 3.86Å; Y300-H311 AromaticContact CE2-CE1 3.89Å; Y300-H311 AromaticContact CE2-ND1 3.57Å; Y300-H311 HydrophobicContact CG-CB 4.36Å; Y300-H311 AromaticContact CG-CD2 3.43Å; Y300-H311 VanDerWaalsContact CG-CD2 3.43Å; Y300-H311 AromaticContact CG-CE1 3.73Å; Y300-H311 AromaticContact CG-CG 3.62Å; Y300-H311 AromaticContact CG-ND1 3.8Å; Y300-H311 AromaticContact CG-NE2 3.5Å; Y300-H311 AromaticContact CZ-CG 3.77Å; Y300-H311 AromaticContact CZ-ND1 3.67Å; Y300-Y312 HydrophobicContact CD1-CE2 4.45Å
301R94.2Very high92.5Very high67 Ų6754.9 Ų54.925%0.25327%0.273SS..  trans-133.3139.4179.5-36.8180102.9156.714.2109.6N286 R289 F290 V294 M299N286-R301 PolarHBondContact ND2-NH2 2.91Å; R289-R301 HydrophobicContact CB-CB 4.16Å; F290-R301 VanDerWaalsContact O-CA 3.27Å; F290-R301 WeakPolarHBondContact O-CA 3.4Å; V294-R301 PolarHBondContact O-NH2 3.46Å; M299-R301 VanDerWaalsContact O-CG 3.31Å; M299-R301 WeakPolarHBondContact O-CG 3.4Å
302D95.2Very high92.4Very high27 Ų2754.9 Ų54.914%0.14427%0.273CS..BIsolated β-bridgetrans-128.1154.9179.4-163-74.7000110.6R289 F290 Y300 S304 G307 L308R289-D302 CarbonylContact C-O 3.51Å; R289-D302 WeakPolarHBondContact CA-O 3.46Å; F290-D302 PolarHBondContact N-O 3.48Å; F290-D302 PolarHBondContact O-N 2.8Å; Y300-D302 HydrophobicContact CE1-CB 3.95Å; Y300-D302 PolarHBondContact OH-OD2 3.05Å; D302-S304 WeakPolarHBondContact CB-O 3.3Å; D302-S304 PolarHBondContact O-N 3.33Å; D302-S304 WeakPolarHBondContact OD1-CA 3.34Å; D302-S304 PolarHBondContact OD1-N 3.08Å; D302-S304 PolarHBondContact OD1-OG 3.11Å; D302-G307 WeakPolarHBondContact OD2-CA 3.44Å; D302-L308 HydrophobicContact CB-CB 4.1Å
303A93.4Very high92.4Very high39 Ų3956 Ų5632%0.32228%0.284SS..SBendtrans-74-11.7174.800000113L199 F290L199-A303 HydrophobicContact CD2-CB 3.73Å; L199-A303 HydrophobicContact CG-CB 4.43Å; F290-A303 WeakPolarHBondContact CE2-O 3.29Å
304S95.2Very high92.5Very high12 Ų1256.8 Ų56.88%0.08429%0.288CS..SBendtrans-131.9147.8-176.168.70000111.2D225 D302 T306 G307 L308D225-S304 WeakPolarHBondContact OD2-CB 3.26Å; D302-S304 WeakPolarHBondContact CB-O 3.3Å; D302-S304 PolarHBondContact O-N 3.33Å; D302-S304 WeakPolarHBondContact OD1-CA 3.34Å; D302-S304 PolarHBondContact OD1-N 3.08Å; D302-S304 PolarHBondContact OD1-OG 3.11Å; S304-T306 VanDerWaalsContact C-N 3.32Å; S304-G307 VanDerWaalsContact OG-CA 3.32Å; S304-G307 WeakPolarHBondContact OG-CA 3.48Å; S304-G307 PolarHBondContact OG-N 3.35Å; S304-L308 PolarHBondContact O-N 2.97Å; S304-L308 VanDerWaalsContact O-N 3.14Å
305V96.4Very high92.6Very high0 Ų058.9 Ų58.90%030%0.303CS..Hα-helixtrans-66.4-41.1173.7173.30000110D225 I229 L258 F268 I283 F290 G307 L308 L309D225-V305 PolarHBondContact OD1-N 2.81Å; D225-V305 PolarHBondContact OD2-N 2.92Å; I229-V305 HydrophobicContact CD1-CB 3.76Å; I229-V305 HydrophobicContact CD1-CG1 4.17Å; I229-V305 HydrophobicContact CD1-CG2 3.99Å; I229-V305 HydrophobicContact CG1-CB 4.23Å; I229-V305 HydrophobicContact CG1-CG1 4.45Å; L258-V305 HydrophobicContact CD1-CG1 4.28Å; L258-V305 HydrophobicContact CD2-CG1 4.09Å; F268-V305 HydrophobicContact CD2-CG2 4.02Å; F268-V305 HydrophobicContact CE2-CG2 4.24Å; I283-V305 HydrophobicContact CD1-CG1 3.77Å; F290-V305 HydrophobicContact CD1-CG2 3.93Å; F290-V305 HydrophobicContact CD2-CG2 4.17Å; F290-V305 HydrophobicContact CE1-CG2 3.98Å; F290-V305 HydrophobicContact CE2-CG2 4.22Å; F290-V305 HydrophobicContact CG-CG2 4.02Å; F290-V305 HydrophobicContact CZ-CG2 4.12Å; V305-G307 PolarHBondContact O-N 2.94Å; V305-L308 WeakPolarHBondContact O-CB 3.32Å; V305-L308 PolarHBondContact O-N 3.37Å; V305-L309 HydrophobicContact CG1-CD1 4.42Å; V305-L309 HydrophobicContact CG1-CG 4.46Å; V305-L309 WeakPolarHBondContact O-CG 3.32Å; V305-L309 PolarHBondContact O-N 3.39Å
306T96.1Very high92.7Very high11 Ų1152.5 Ų52.57%0.06730%0.298CS..Hα-helixtrans-63.1-37.9178.550.20000113D225 Q228 I229 S304 L309 R310D225-T306 WeakPolarHBondContact OD2-CB 3.44Å; D225-T306 WeakPolarHBondContact OD2-CG2 3.4Å; D225-T306 PolarHBondContact OD2-N 2.72Å; D225-T306 PolarHBondContact OD2-OG1 2.84Å; Q228-T306 HydrophobicContact CB-CG2 3.98Å; I229-T306 HydrophobicContact CG1-CG2 4Å; S304-T306 VanDerWaalsContact C-N 3.32Å; T306-L309 PolarHBondContact O-N 3.46Å; T306-R310 PolarHBondContact O-N 3.27Å; T306-R310 VanDerWaalsContact O-N 3.08Å
307G95.6Very high92.6Very high7 Ų753.6 Ų53.67%0.07231%0.307CS..Hα-helixtrans-64.9-44.4172.300000112.3D302 S304 V305 L309 R310 H311D302-G307 WeakPolarHBondContact OD2-CA 3.44Å; S304-G307 VanDerWaalsContact OG-CA 3.32Å; S304-G307 WeakPolarHBondContact OG-CA 3.48Å; S304-G307 PolarHBondContact OG-N 3.35Å; V305-G307 PolarHBondContact O-N 2.94Å; G307-L309 PolarHBondContact O-N 2.81Å; G307-R310 WeakPolarHBondContact O-CB 3.45Å; G307-R310 PolarHBondContact O-N 3.39Å; G307-R310 VanDerWaalsContact O-N 3.11Å; G307-H311 PolarHBondContact O-N 3.1Å
308L96.2Very high92.9Very high0 Ų049 Ų490%028%0.277CS..Hα-helixtrans-55.4-48.8173.2-177.966.4000111.5I283 F290 F292 Y300 D302 S304 V305 R310 H311 Y312I283-L308 HydrophobicContact CG1-CD2 4.23Å; I283-L308 HydrophobicContact CG2-CD2 3.92Å; F290-L308 HydrophobicContact CB-CD2 4.11Å; F292-L308 HydrophobicContact CD2-CD1 4.44Å; F292-L308 HydrophobicContact CD2-CD2 4.49Å; F292-L308 HydrophobicContact CE2-CD1 4.36Å; F292-L308 HydrophobicContact CE2-CD2 4.23Å; F292-L308 HydrophobicContact CE2-CG 4.11Å; F292-L308 HydrophobicContact CZ-CD2 4.25Å; F292-L308 HydrophobicContact CZ-CG 4.42Å; Y300-L308 HydrophobicContact CD1-CD1 3.95Å; Y300-L308 HydrophobicContact CE1-CD1 4.48Å; D302-L308 HydrophobicContact CB-CB 4.1Å; S304-L308 PolarHBondContact O-N 2.97Å; S304-L308 VanDerWaalsContact O-N 3.14Å; V305-L308 WeakPolarHBondContact O-CB 3.32Å; V305-L308 PolarHBondContact O-N 3.37Å; L308-R310 VanDerWaalsContact C-N 3.3Å; L308-R310 PolarHBondContact O-N 3.46Å; L308-H311 PolarHBondContact O-N 3.49Å; L308-Y312 HydrophobicContact CD1-CD2 4.15Å; L308-Y312 HydrophobicContact CD1-CE2 3.7Å; L308-Y312 HydrophobicContact CG-CE2 4.49Å; L308-Y312 WeakPolarHBondContact O-CD2 3.4Å
309L96.6Very high93Very high8 Ų847.6 Ų47.64%0.04226%0.261CS..Hα-helixtrans-61.6-38178-62.5178.7000112.6F256 L258 V270 V305 T306 G307 Y312 S313 L325F256-L309 HydrophobicContact CE2-CD1 4.46Å; L258-L309 HydrophobicContact CB-CD1 4.43Å; L258-L309 HydrophobicContact CD1-CD1 4.46Å; L258-L309 HydrophobicContact CD2-CD1 4.17Å; V270-L309 HydrophobicContact CG2-CD2 3.49Å; V270-L309 VanDerWaalsContact CG2-CD2 3.49Å; V305-L309 HydrophobicContact CG1-CD1 4.42Å; V305-L309 HydrophobicContact CG1-CG 4.46Å; V305-L309 WeakPolarHBondContact O-CG 3.32Å; V305-L309 PolarHBondContact O-N 3.39Å; T306-L309 PolarHBondContact O-N 3.46Å; G307-L309 PolarHBondContact O-N 2.81Å; L309-Y312 PolarHBondContact O-N 3.26Å; L309-S313 PolarHBondContact O-N 3.14Å; L309-L325 HydrophobicContact CD2-CD1 3.59Å
310R95.2Very high92.9Very high167 Ų16753.3 Ų53.363%0.6329%0.286SS*.Hα-helixtrans-65.5-39.8179.7-175.4-178.7-73.4102.8-4.7111.7T306 G307 L308 Y312 S313T306-R310 PolarHBondContact O-N 3.27Å; T306-R310 VanDerWaalsContact O-N 3.08Å; G307-R310 WeakPolarHBondContact O-CB 3.45Å; G307-R310 PolarHBondContact O-N 3.39Å; G307-R310 VanDerWaalsContact O-N 3.11Å; L308-R310 VanDerWaalsContact C-N 3.3Å; L308-R310 PolarHBondContact O-N 3.46Å; R310-Y312 VanDerWaalsContact C-N 3.3Å; R310-Y312 PolarHBondContact O-N 3.43Å; R310-S313 VanDerWaalsContact O-CB 3.32Å; R310-S313 WeakPolarHBondContact O-CB 3.47Å; R310-S313 PolarHBondContact O-N 3.01Å; R310-S313 VanDerWaalsContact O-N 3.16Å; R310-S313 PolarHBondContact O-OG 3.21Å
311H94.3Very high92.5Very high69 Ų6955.2 Ų55.232%0.31930%0.296SS..Hα-helixtrans-58.3-43177.8-179.979.8000112.3Y300 G307 L308 S313Y300-H311 HydrophobicContact CD1-CB 3.62Å; Y300-H311 AromaticContact CD1-CD2 3.44Å; Y300-H311 VanDerWaalsContact CD1-CD2 3.44Å; Y300-H311 WeakPolarHBondContact CD1-CD2 3.44Å; Y300-H311 AromaticContact CD1-CG 3.37Å; Y300-H311 AromaticContact CD1-ND1 3.93Å; Y300-H311 AromaticContact CD2-CE1 3.53Å; Y300-H311 AromaticContact CD2-CG 3.95Å; Y300-H311 AromaticContact CD2-ND1 3.64Å; Y300-H311 AromaticContact CD2-NE2 3.77Å; Y300-H311 HydrophobicContact CE1-CB 3.31Å; Y300-H311 AromaticContact CE1-CG 3.45Å; Y300-H311 VanDerWaalsContact CE1-CG 3.45Å; Y300-H311 AromaticContact CE1-ND1 3.86Å; Y300-H311 AromaticContact CE2-CE1 3.89Å; Y300-H311 AromaticContact CE2-ND1 3.57Å; Y300-H311 HydrophobicContact CG-CB 4.36Å; Y300-H311 AromaticContact CG-CD2 3.43Å; Y300-H311 VanDerWaalsContact CG-CD2 3.43Å; Y300-H311 AromaticContact CG-CE1 3.73Å; Y300-H311 AromaticContact CG-CG 3.62Å; Y300-H311 AromaticContact CG-ND1 3.8Å; Y300-H311 AromaticContact CG-NE2 3.5Å; Y300-H311 AromaticContact CZ-CG 3.77Å; Y300-H311 AromaticContact CZ-ND1 3.67Å; G307-H311 PolarHBondContact O-N 3.1Å; L308-H311 PolarHBondContact O-N 3.49Å; H311-S313 PolarHBondContact O-N 3Å
312Y95.1Very high92.4Very high1 Ų153 Ų530%0.00429%0.288CS..THydrogen-bonded Turntrans-83.310.9-179.3-73.2-74.6000114.3F292 Y300 L308 L309 R310 E322 P323 L325F292-Y312 AromaticContact CD2-CD2 3.93Å; F292-Y312 HydrophobicContact CD2-CD2 3.93Å; F292-Y312 AromaticContact CD2-CE2 3.51Å; F292-Y312 HydrophobicContact CD2-CE2 3.51Å; F292-Y312 AromaticContact CD2-CZ 3.92Å; F292-Y312 AromaticContact CE2-CD2 3.44Å; F292-Y312 HydrophobicContact CE2-CD2 3.44Å; F292-Y312 VanDerWaalsContact CE2-CD2 3.44Å; F292-Y312 AromaticContact CE2-CE2 3.53Å; F292-Y312 HydrophobicContact CE2-CE2 3.53Å; F292-Y312 HydrophobicContact CE2-CG 4.09Å; Y300-Y312 HydrophobicContact CD1-CE2 4.45Å; L308-Y312 HydrophobicContact CD1-CD2 4.15Å; L308-Y312 HydrophobicContact CD1-CE2 3.7Å; L308-Y312 HydrophobicContact CG-CE2 4.49Å; L308-Y312 WeakPolarHBondContact O-CD2 3.4Å; L309-Y312 PolarHBondContact O-N 3.26Å; R310-Y312 VanDerWaalsContact C-N 3.3Å; R310-Y312 PolarHBondContact O-N 3.43Å; Y312-E322 HydrophobicContact CD1-CB 4.06Å; Y312-E322 HydrophobicContact CE1-CB 3.76Å; Y312-E322 HydrophobicContact CE1-CG 3.86Å; Y312-P323 WeakPolarHBondContact CB-O 3.47Å; Y312-P323 WeakPolarHBondContact CD1-O 3.4Å; Y312-L325 PolarHBondContact O-N 3.2Å
313S94.5Very high92.2Very high48 Ų4852.2 Ų52.234%0.33628%0.284SS..THydrogen-bonded Turntrans-84.8-24.8-176.770.30000114.4L309 R310 H311 P315 L325 S326L309-S313 PolarHBondContact O-N 3.14Å; R310-S313 VanDerWaalsContact O-CB 3.32Å; R310-S313 WeakPolarHBondContact O-CB 3.47Å; R310-S313 PolarHBondContact O-N 3.01Å; R310-S313 VanDerWaalsContact O-N 3.16Å; R310-S313 PolarHBondContact O-OG 3.21Å; H311-S313 PolarHBondContact O-N 3Å; S313-P315 WeakPolarHBondContact O-CD 3.25Å; S313-L325 WeakPolarHBondContact CA-O 3.42Å; S313-L325 WeakPolarHBondContact CB-O 3.45Å; S313-S326 VanDerWaalsContact O-CA 3.24Å; S313-S326 WeakPolarHBondContact O-CA 3.18Å; S313-S326 WeakPolarHBondContact O-CB 3.21Å
314D92.4Very high92.3Very high74 Ų7451.1 Ų51.140%0.39627%0.273SS..  trans-87.2117.7-178.1-173.5-1.2000111.2A316 T317 C318D314-A316 PolarHBondContact O-N 3.19Å; D314-A316 WeakPolarHBondContact OD1-CB 3.27Å; D314-A316 PolarHBondContact OD1-N 3.42Å; D314-T317 PolarHBondContact O-N 3.18Å; D314-T317 PolarHBondContact O-OG1 3.18Å; D314-C318 WeakPolarHBondContact O-CB 3.48Å; D314-C318 PolarHBondContact O-N 3.45Å
315P89.6Confident92.4Very high81 Ų8150.6 Ų50.653%0.52627%0.269SS..THydrogen-bonded Turntrans-61.3-25174.8-18.831000114.2S313 L324S313-P315 WeakPolarHBondContact O-CD 3.25Å; P315-L324 HydrophobicContact CB-CD1 4.01Å; P315-L324 HydrophobicContact CG-CD1 4.1Å
316A89.3Confident92.4Very high89 Ų8952.5 Ų52.574%0.73628%0.283SS*.THydrogen-bonded Turntrans-73.8-28.5-17700000112.9D314D314-A316 PolarHBondContact O-N 3.19Å; D314-A316 WeakPolarHBondContact OD1-CB 3.27Å; D314-A316 PolarHBondContact OD1-N 3.42Å
317T85.9Confident92.4Very high84 Ų8458.7 Ų58.752%0.51531%0.305SS..THydrogen-bonded Turntrans-101.2-9.5-17961.30000113D314D314-T317 PolarHBondContact O-N 3.18Å; D314-T317 PolarHBondContact O-OG1 3.18Å
318C88.9Confident92.5Very high16 Ų1661.7 Ų61.711%0.10832%0.323CS..  trans-85.9116.9-174.6-174.30000112.1D314 P323 L324D314-C318 WeakPolarHBondContact O-CB 3.48Å; D314-C318 PolarHBondContact O-N 3.45Å; C318-P323 PolarHBondContact SG-O 2.71Å; C318-P323 VanDerWaalsContact SG-O 3.41Å; C318-L324 HydrophobicContact CB-CD1 3.99Å
319L88.6Confident92.6Very high91 Ų9163 Ų6348%0.47633%0.33SS..  trans-68.1160.1177.3-59.3175000111.3R274 F321 E322R274-L319 PolarHBondContact NH1-O 2.97Å; R274-L319 PolarHBondContact NH2-O 3.18Å; L319-F321 HydrophobicContact CB-CD1 4.11Å; L319-F321 HydrophobicContact CB-CE1 3.73Å; L319-F321 HydrophobicContact CB-CZ 3.98Å; L319-F321 HydrophobicContact CD1-CE1 3.68Å; L319-F321 HydrophobicContact CD1-CE2 4.34Å; L319-F321 HydrophobicContact CD1-CZ 3.4Å; L319-F321 VanDerWaalsContact CD1-CZ 3.4Å; L319-F321 HydrophobicContact CG-CE1 4.32Å; L319-F321 HydrophobicContact CG-CZ 4.34Å; L319-F321 PolarHBondContact O-N 2.63Å; L319-F321 VanDerWaalsContact O-N 3.13Å; L319-E322 HydrophobicContact CB-CG 3.97Å; L319-E322 PolarHBondContact N-OE2 3.45Å; L319-E322 PolarHBondContact O-N 3.07Å; L319-E322 VanDerWaalsContact O-N 3.13Å
320F85.3Confident92.7Very high145 Ų14566.2 Ų66.264%0.63635%0.351SS*.THydrogen-bonded Turntrans-62.2-23.8-173.375.3-92.2000114.6R274 Y275R274-F320 VanDerWaalsContact CZ-O 3.3Å; R274-F320 VanDerWaalsContact NH1-C 3.27Å; R274-F320 PolarHBondContact NH1-O 3.25Å; R274-F320 VanDerWaalsContact NH1-O 3.09Å; Y275-F320 WeakPolarHBondContact CE2-O 3.39Å; Y275-F320 VanDerWaalsContact OH-CA 3.27Å; Y275-F320 WeakPolarHBondContact OH-CA 3.38Å; Y275-F320 VanDerWaalsContact OH-CB 3.31Å; Y275-F320 WeakPolarHBondContact OH-CB 3.32Å; Y275-F320 PolarHBondContact OH-O 2.97Å
321F85Confident92.7Very high123 Ų12360.8 Ų60.854%0.53933%0.331SS..THydrogen-bonded Turntrans-97-10.6-179.659.2-96000113.5L319L319-F321 HydrophobicContact CB-CD1 4.11Å; L319-F321 HydrophobicContact CB-CE1 3.73Å; L319-F321 HydrophobicContact CB-CZ 3.98Å; L319-F321 HydrophobicContact CD1-CE1 3.68Å; L319-F321 HydrophobicContact CD1-CE2 4.34Å; L319-F321 HydrophobicContact CD1-CZ 3.4Å; L319-F321 VanDerWaalsContact CD1-CZ 3.4Å; L319-F321 HydrophobicContact CG-CE1 4.32Å; L319-F321 HydrophobicContact CG-CZ 4.34Å; L319-F321 PolarHBondContact O-N 2.63Å; L319-F321 VanDerWaalsContact O-N 3.13Å
322E91Very high92.9Very high22 Ų2262.2 Ų62.210%0.10335%0.345CS..SBendtrans-80.2166.1-177.1-71.6179.8148.800112.5R274 Y312 L319 L324R274-E322 PolarHBondContact NH1-O 3.39Å; Y312-E322 HydrophobicContact CD1-CB 4.06Å; Y312-E322 HydrophobicContact CE1-CB 3.76Å; Y312-E322 HydrophobicContact CE1-CG 3.86Å; L319-E322 HydrophobicContact CB-CG 3.97Å; L319-E322 PolarHBondContact N-OE2 3.45Å; L319-E322 PolarHBondContact O-N 3.07Å; L319-E322 VanDerWaalsContact O-N 3.13Å; E322-L324 PolarHBondContact O-N 2.77Å
323P92Very high92.9Very high9 Ų965.8 Ų65.86%0.05836%0.36CS..  trans-71.2122.5169.2-20.536.2000110F272 A281 F292 Y312 C318 L325F272-P323 HydrophobicContact CD1-CB 4.29Å; F272-P323 HydrophobicContact CE1-CB 3.91Å; F272-P323 HydrophobicContact CE1-CG 4.36Å; F272-P323 HydrophobicContact CE2-CB 4.38Å; F272-P323 HydrophobicContact CZ-CB 3.95Å; F272-P323 HydrophobicContact CZ-CG 4.38Å; A281-P323 HydrophobicContact CB-CG 4.13Å; F292-P323 HydrophobicContact CD1-CG 4.4Å; F292-P323 HydrophobicContact CD2-CG 3.66Å; F292-P323 HydrophobicContact CE1-CG 4.44Å; F292-P323 HydrophobicContact CE2-CB 4.17Å; F292-P323 HydrophobicContact CE2-CG 3.7Å; F292-P323 HydrophobicContact CG-CG 4.03Å; F292-P323 HydrophobicContact CZ-CB 4.38Å; F292-P323 HydrophobicContact CZ-CG 4.11Å; Y312-P323 WeakPolarHBondContact CB-O 3.47Å; Y312-P323 WeakPolarHBondContact CD1-O 3.4Å; C318-P323 PolarHBondContact SG-O 2.71Å; C318-P323 VanDerWaalsContact SG-O 3.41Å; P323-L325 HydrophobicContact CB-CD1 4.38Å; P323-L325 HydrophobicContact CB-CD2 3.89Å; P323-L325 HydrophobicContact CB-CG 4.05Å
324L95.6Very high93Very high16 Ų1668.8 Ų68.88%0.08438%0.378CS..  trans-92.3109.4171.517862.2000109.2E253 G254 P315 C318 E322E253-L324 HydrophobicContact CG-CD2 4.07Å; G254-L324 WeakPolarHBondContact CA-O 3.33Å; P315-L324 HydrophobicContact CB-CD1 4.01Å; P315-L324 HydrophobicContact CG-CD1 4.1Å; C318-L324 HydrophobicContact CB-CD1 3.99Å; E322-L324 PolarHBondContact O-N 2.77Å
325L96.7Very high93.2Very high1 Ų166.2 Ų66.21%0.00536%0.364CS..  trans-116.948.5-170.1-50.7-174.9000112F256 V270 F272 F292 L309 Y312 S313 P323F256-L325 HydrophobicContact CB-CD2 3.71Å; F256-L325 VanDerWaalsContact CD1-C 3.42Å; F256-L325 HydrophobicContact CD1-CB 3.8Å; F256-L325 HydrophobicContact CD1-CD2 4.5Å; F256-L325 WeakPolarHBondContact CD1-O 3.44Å; F256-L325 HydrophobicContact CD2-CB 4.18Å; F256-L325 HydrophobicContact CD2-CD2 4.11Å; F256-L325 VanDerWaalsContact CE1-C 3.43Å; F256-L325 HydrophobicContact CE1-CB 3.94Å; F256-L325 WeakPolarHBondContact CE1-O 3.3Å; F256-L325 HydrophobicContact CE2-CB 4.3Å; F256-L325 HydrophobicContact CG-CB 3.92Å; F256-L325 HydrophobicContact CG-CD2 3.86Å; F256-L325 HydrophobicContact CG-CG 4.43Å; F256-L325 HydrophobicContact CZ-CB 4.18Å; V270-L325 HydrophobicContact CG1-CD1 4.11Å; V270-L325 HydrophobicContact CG1-CD2 3.5Å; V270-L325 HydrophobicContact CG1-CG 4.48Å; F272-L325 HydrophobicContact CB-CD2 3.83Å; F272-L325 HydrophobicContact CD1-CD2 4.3Å; F272-L325 HydrophobicContact CG-CD2 4.07Å; F292-L325 HydrophobicContact CE2-CD1 4.48Å; F292-L325 HydrophobicContact CZ-CD1 4.12Å; L309-L325 HydrophobicContact CD2-CD1 3.59Å; Y312-L325 PolarHBondContact O-N 3.2Å; S313-L325 WeakPolarHBondContact CA-O 3.42Å; S313-L325 WeakPolarHBondContact CB-O 3.45Å; P323-L325 HydrophobicContact CB-CD1 4.38Å; P323-L325 HydrophobicContact CB-CD2 3.89Å; P323-L325 HydrophobicContact CB-CG 4.05Å
326S96.4Very high93.5Very high40 Ų4065.2 Ų65.228%0.2836%0.357SS..  trans-84.5-23.7-171.261.40000114.5G254 S313G254-S326 WeakPolarHBondContact CA-OG 3.37Å; G254-S326 PolarHBondContact O-N 3.3Å; S313-S326 VanDerWaalsContact O-CA 3.24Å; S313-S326 WeakPolarHBondContact O-CA 3.18Å; S313-S326 WeakPolarHBondContact O-CB 3.21Å
327R97.1Very high93.9Very high141 Ų14167.2 Ų67.253%0.53236%0.355SS..EExtended strand (participates in β ladder)trans-126.996.4-172.9-62.1175.669.187.81.4111.1G254 T255 F256 L329G254-R327 PolarHBondContact O-N 3.33Å; T255-R327 CarbonylContact C-O 3.54Å; T255-R327 VanDerWaalsContact CA-O 3.24Å; T255-R327 WeakPolarHBondContact CA-O 3.46Å; F256-R327 VanDerWaalsContact CD1-C 3.49Å; F256-R327 WeakPolarHBondContact CD1-O 3.45Å; F256-R327 PolarHBondContact N-O 3.34Å; R327-L329 PolarHBondContact O-N 2.75Å
328P97.6Very high94.4Very high71 Ų7168.1 Ų68.146%0.46135%0.353SS..EExtended strand (participates in β ladder)trans-66.3130178.624.9-31.7000110.7C234 F256 P330C234-P328 HydrophobicContact CB-CB 3.54Å; F256-P328 VanDerWaalsContact CE1-CA 3.47Å; F256-P328 HydrophobicContact CE1-CB 3.86Å; F256-P328 HydrophobicContact CE1-CG 4.46Å; F256-P328 VanDerWaalsContact CE1-N 3.34Å; F256-P328 HydrophobicContact CZ-CB 3.93Å; P328-P330 VanDerWaalsContact O-CD 3.3Å; P328-P330 WeakPolarHBondContact O-CD 3.5Å
329L98.1Very high94.8Very high26 Ų2668.1 Ų68.114%0.13635%0.352CS..  trans-85.3109.2172-174.670.2000109.2W236 L247 L248 T255 F256 L257 R327W236-L329 HydrophobicContact CZ2-CD2 4.03Å; W236-L329 HydrophobicContact CZ2-CG 4.11Å; W236-L329 PolarHBondContact NE1-O 2.97Å; L247-L329 HydrophobicContact CB-CD2 3.93Å; L248-L329 HydrophobicContact CD2-CD2 4.46Å; T255-L329 HydrophobicContact CG2-CB 4.06Å; T255-L329 HydrophobicContact CG2-CD1 4.32Å; F256-L329 WeakPolarHBondContact O-CB 3.5Å; F256-L329 PolarHBondContact O-N 3.4Å; L257-L329 HydrophobicContact CB-CB 4.42Å; L257-L329 HydrophobicContact CD2-CD2 3.89Å; R327-L329 PolarHBondContact O-N 2.75Å
330P97.7Very high95.2Very high77 Ų7767 Ų6750%0.535%0.346SS..  trans-71.2135.2-174.429.2-34.9000111.7P233 W236 P328P233-P330 HydrophobicContact CB-CB 4.23Å; P233-P330 CarbonylContact O-C 3.55Å; P233-P330 WeakPolarHBondContact O-CA 3.34Å; W236-P330 VanDerWaalsContact CZ2-O 3.3Å; W236-P330 WeakPolarHBondContact CZ2-O 3.41Å; P328-P330 VanDerWaalsContact O-CD 3.3Å; P328-P330 WeakPolarHBondContact O-CD 3.5Å
331R96.4Very high95.8Very high53 Ų5362.9 Ų62.920%0.233%0.334CS..  trans-61.6139.8171.2-170.9-176.769.3-135.78.3110.3P233 Y235 W236 F333P233-R331 WeakPolarHBondContact O-CB 3.43Å; P233-R331 PolarHBondContact O-N 3.02Å; Y235-R331 WeakPolarHBondContact O-CD 3.22Å; Y235-R331 PolarHBondContact O-NH1 3.17Å; W236-R331 HydrophobicContact CD2-CB 4.33Å; W236-R331 HydrophobicContact CD2-CG 4.27Å; W236-R331 HydrophobicContact CE3-CG 4.36Å; R331-F333 WeakPolarHBondContact CD-O 3.27Å; R331-F333 HydrophobicContact CG-CD1 3.68Å; R331-F333 HydrophobicContact CG-CD2 4.3Å; R331-F333 HydrophobicContact CG-CE1 3.53Å; R331-F333 HydrophobicContact CG-CE2 4.16Å; R331-F333 HydrophobicContact CG-CG 4.08Å; R331-F333 HydrophobicContact CG-CZ 3.78Å; R331-F333 PolarHBondContact NE-O 2.76Å
332T97Very high96.4Very high99 Ų9957.3 Ų57.361%0.60731%0.31SS*.SBendtrans-103.48-174.254.80000114.4W236W236-T332 HydrophobicContact CH2-CG2 4.47Å
333F95.6Very high96.7Very high76 Ų7656.3 Ų56.333%0.33331%0.306SS..SBendtrans-139.4155.3-17860.2-89.3000111.4W28 W236 R331 F335W28-F333 HydrophobicContact CZ3-CD1 4.44Å; W236-F333 AromaticContact CE3-CE1 3.72Å; W236-F333 HydrophobicContact CE3-CE1 3.72Å; W236-F333 HydrophobicContact CE3-CZ 4.42Å; W236-F333 HydrophobicContact CZ3-CD1 4.48Å; W236-F333 AromaticContact CZ3-CE1 3.91Å; W236-F333 HydrophobicContact CZ3-CE1 3.91Å; R331-F333 WeakPolarHBondContact CD-O 3.27Å; R331-F333 HydrophobicContact CG-CD1 3.68Å; R331-F333 HydrophobicContact CG-CD2 4.3Å; R331-F333 HydrophobicContact CG-CE1 3.53Å; R331-F333 HydrophobicContact CG-CE2 4.16Å; R331-F333 HydrophobicContact CG-CG 4.08Å; R331-F333 HydrophobicContact CG-CZ 3.78Å; R331-F333 PolarHBondContact NE-O 2.76Å; F333-F335 HydrophobicContact CE2-CD1 4.05Å; F333-F335 HydrophobicContact CE2-CE1 4.01Å
334P96.1Very high97Very high110 Ų11059.5 Ų59.571%0.71433%0.325SS*.PPolyproline II helixtrans-82.8151.417133.5-33.7000111.6
335F96.9Very high97Very high20 Ų2061.9 Ų61.99%0.08834%0.337CS..PPolyproline II helixtrans-75.8156.4169.8-72.8-35.4000112.1N230 Y235 F333 H339 L340N230-F335 WeakPolarHBondContact OD1-CD2 3.24Å; N230-F335 WeakPolarHBondContact OD1-CE2 3.31Å; Y235-F335 AromaticContact CD1-CE2 3.56Å; Y235-F335 HydrophobicContact CD1-CE2 3.56Å; Y235-F335 AromaticContact CD1-CZ 3.61Å; Y235-F335 HydrophobicContact CD1-CZ 3.61Å; Y235-F335 AromaticContact CE1-CE2 3.64Å; Y235-F335 HydrophobicContact CE1-CE2 3.64Å; Y235-F335 AromaticContact CE1-CZ 3.63Å; Y235-F335 HydrophobicContact CE1-CZ 3.63Å; Y235-F335 HydrophobicContact CG-CZ 4.49Å; F333-F335 HydrophobicContact CE2-CD1 4.05Å; F333-F335 HydrophobicContact CE2-CE1 4.01Å; F335-H339 HydrophobicContact CB-CB 4.39Å; F335-H339 AromaticContact CD2-CD2 3.8Å; F335-L340 HydrophobicContact CB-CD2 3.98Å; F335-L340 HydrophobicContact CB-CG 4.2Å; F335-L340 HydrophobicContact CD2-CD2 4.39Å
336P96.6Very high97Very high60 Ų6062.3 Ų62.339%0.3934%0.34SS..PPolyproline II helixtrans-64.1149.1175.127-34000110.9Q338 H339 L340P336-Q338 PolarHBondContact O-N 2.97Å; P336-Q338 VanDerWaalsContact O-N 3.16Å; P336-H339 HydrophobicContact CG-CB 3.85Å; P336-H339 WeakPolarHBondContact O-CB 3.33Å; P336-H339 PolarHBondContact O-N 3.41Å; P336-L340 PolarHBondContact O-N 3.37Å
337L97.8Very high97Very high131 Ų13163.3 Ų63.369%0.68635%0.347SS*.Hα-helixtrans-53.9-40-178.3-179.861.1000112.2H339 L340 C341L337-H339 VanDerWaalsContact C-N 3.3Å; L337-H339 PolarHBondContact O-N 3.27Å; L337-L340 PolarHBondContact O-N 3.12Å; L337-C341 WeakPolarHBondContact O-CB 3.46Å; L337-C341 PolarHBondContact O-N 2.91Å; L337-C341 PolarHBondContact O-SG 3.38Å
338Q96.8Very high96.9Very high103 Ų10361.6 Ų61.648%0.48136%0.355SS..Hα-helixtrans-58.2-40.9177.8-172.3-178.41.600112.7P336 R342 Y366P336-Q338 PolarHBondContact O-N 2.97Å; P336-Q338 VanDerWaalsContact O-N 3.16Å; Q338-R342 PolarHBondContact O-N 3.21Å; Q338-Y366 HydrophobicContact CG-CD1 4.39Å; Q338-Y366 HydrophobicContact CG-CE1 3.66Å
339H97Very high96.8Very high17 Ų1759.6 Ų59.68%0.07934%0.342CS..Hα-helixtrans-68.2-42.9177.7-173.7113.7000111.2N230 F335 P336 L337 R342 A343 Y366N230-H339 PolarHBondContact OD1-CD2 3.06Å; N230-H339 PolarHBondContact OD1-NE2 3.46Å; F335-H339 HydrophobicContact CB-CB 4.39Å; F335-H339 AromaticContact CD2-CD2 3.8Å; P336-H339 HydrophobicContact CG-CB 3.85Å; P336-H339 WeakPolarHBondContact O-CB 3.33Å; P336-H339 PolarHBondContact O-N 3.41Å; L337-H339 VanDerWaalsContact C-N 3.3Å; L337-H339 PolarHBondContact O-N 3.27Å; H339-R342 PolarHBondContact CE1-NH2 2.97Å; H339-R342 PolarHBondContact ND1-NH2 3.35Å; H339-R342 WeakPolarHBondContact O-CB 3.21Å; H339-R342 PolarHBondContact O-N 3.48Å; H339-A343 PolarHBondContact O-N 3.37Å; H339-Y366 WeakPolarHBondContact CA-OH 3.44Å; H339-Y366 PolarHBondContact N-OH 3.36Å
340L97.1Very high96.7Very high67 Ų6761.3 Ų61.335%0.35135%0.353SS..Hα-helixtrans-62.3-44.1176.6-61.9176.3000111.4F335 P336 L337 R342 A343 V344F335-L340 HydrophobicContact CB-CD2 3.98Å; F335-L340 HydrophobicContact CB-CG 4.2Å; F335-L340 HydrophobicContact CD2-CD2 4.39Å; P336-L340 PolarHBondContact O-N 3.37Å; L337-L340 PolarHBondContact O-N 3.12Å; L340-R342 VanDerWaalsContact C-N 3.34Å; L340-R342 PolarHBondContact O-N 3.2Å; L340-A343 PolarHBondContact O-N 3.02Å; L340-V344 PolarHBondContact O-N 2.92Å
341C97.6Very high96.5Very high58 Ų5859.3 Ų59.339%0.39234%0.336SS..Hα-helixtrans-60.3-42.6174.6-69.30000111.8L337 A343 V344 I345L337-C341 WeakPolarHBondContact O-CB 3.46Å; L337-C341 PolarHBondContact O-N 2.91Å; L337-C341 PolarHBondContact O-SG 3.38Å; C341-A343 PolarHBondContact O-N 2.8Å; C341-V344 PolarHBondContact O-N 3.34Å; C341-I345 WeakPolarHBondContact O-CB 3.33Å; C341-I345 VanDerWaalsContact O-CG1 3.25Å; C341-I345 WeakPolarHBondContact O-CG1 3.28Å; C341-I345 PolarHBondContact O-N 3.37Å
342R97.5Very high96.3Very high6 Ų662.2 Ų62.22%0.02335%0.352CS..Hα-helixtrans-58.5-46.8175.3170.7177.367.8-175.33.7111.8Q338 H339 L340 V344 I345 C346 Y366 L367Q338-R342 PolarHBondContact O-N 3.21Å; H339-R342 PolarHBondContact CE1-NH2 2.97Å; H339-R342 PolarHBondContact ND1-NH2 3.35Å; H339-R342 WeakPolarHBondContact O-CB 3.21Å; H339-R342 PolarHBondContact O-N 3.48Å; L340-R342 VanDerWaalsContact C-N 3.34Å; L340-R342 PolarHBondContact O-N 3.2Å; R342-V344 VanDerWaalsContact C-N 3.27Å; R342-V344 PolarHBondContact O-N 2.74Å; R342-I345 PolarHBondContact O-N 2.82Å; R342-C346 VanDerWaalsContact O-CB 3.27Å; R342-C346 WeakPolarHBondContact O-CB 3.34Å; R342-C346 PolarHBondContact O-N 3.14Å; R342-C346 PolarHBondContact O-SG 3.18Å; R342-Y366 HydrophobicContact CB-CD1 4.36Å; R342-Y366 HydrophobicContact CB-CE1 3.71Å; R342-Y366 VanDerWaalsContact CD-O 3.3Å; R342-Y366 WeakPolarHBondContact CD-O 3.45Å; R342-Y366 HydrophobicContact CG-CE1 4.24Å; R342-Y366 VanDerWaalsContact NH1-CE2 3.28Å; R342-Y366 PolarHBondContact NH1-O 3.37Å; R342-L367 HydrophobicContact CB-CD2 3.85Å; R342-L367 HydrophobicContact CG-CD2 3.74Å
343A96.9Very high96.2Very high2 Ų258.9 Ų58.92%0.01734%0.337CS..Hα-helixtrans-58-42.4-17900000111.7L227 N230 H339 L340 C341 S347L227-A343 HydrophobicContact CD1-CB 4.13Å; N230-A343 HydrophobicContact CB-CB 3.99Å; H339-A343 PolarHBondContact O-N 3.37Å; L340-A343 PolarHBondContact O-N 3.02Å; C341-A343 PolarHBondContact O-N 2.8Å; A343-S347 PolarHBondContact O-N 3.14Å
344V97.6Very high96.1Very high76 Ų7655.2 Ų55.246%0.46132%0.321SS..Hα-helixtrans-68.3-49.4176.4178.30000111.3L227 L340 C341 R342 C346 S347 C348L227-V344 HydrophobicContact CD1-CG2 4.07Å; L340-V344 PolarHBondContact O-N 2.92Å; C341-V344 PolarHBondContact O-N 3.34Å; R342-V344 VanDerWaalsContact C-N 3.27Å; R342-V344 PolarHBondContact O-N 2.74Å; V344-C346 VanDerWaalsContact C-N 3.34Å; V344-C346 PolarHBondContact O-N 2.83Å; V344-S347 WeakPolarHBondContact O-CB 3.48Å; V344-S347 PolarHBondContact O-N 3.01Å; V344-S347 PolarHBondContact O-OG 2.85Å; V344-C348 PolarHBondContact O-N 3.18Å; V344-C348 PolarHBondContact O-SG 3.42Å
345I97.2Very high96Very high65 Ų6554.2 Ų54.233%0.33331%0.306SS..Hα-helixtrans-59.1-47.1-179.8-67.7164.3000110.5C341 R342 S347 C348 T349 L357 L367C341-I345 WeakPolarHBondContact O-CB 3.33Å; C341-I345 VanDerWaalsContact O-CG1 3.25Å; C341-I345 WeakPolarHBondContact O-CG1 3.28Å; C341-I345 PolarHBondContact O-N 3.37Å; R342-I345 PolarHBondContact O-N 2.82Å; I345-S347 PolarHBondContact O-N 2.81Å; I345-C348 PolarHBondContact O-N 3.33Å; I345-T349 HydrophobicContact CG2-CG2 4.39Å; I345-T349 WeakPolarHBondContact O-CG2 3.44Å; I345-T349 PolarHBondContact O-N 3.39Å; I345-L357 HydrophobicContact CG2-CD1 4.04Å; I345-L367 HydrophobicContact CB-CD2 4.18Å; I345-L367 HydrophobicContact CD1-CD2 4.29Å; I345-L367 HydrophobicContact CG2-CD1 3.85Å; I345-L367 HydrophobicContact CG2-CD2 4.05Å
346C96.6Very high95.8Very high10 Ų1056.6 Ų56.67%0.06834%0.337CS..Hα-helixtrans-63.8-23.5178.9-68.50000113.1L222 L226 R342 V344 C348 L367L222-C346 HydrophobicContact CD1-CB 4.08Å; L226-C346 HydrophobicContact CD2-CB 4.04Å; R342-C346 VanDerWaalsContact O-CB 3.27Å; R342-C346 WeakPolarHBondContact O-CB 3.34Å; R342-C346 PolarHBondContact O-N 3.14Å; R342-C346 PolarHBondContact O-SG 3.18Å; V344-C346 VanDerWaalsContact C-N 3.34Å; V344-C346 PolarHBondContact O-N 2.83Å; C346-C348 VanDerWaalsContact C-N 3.27Å; C346-L367 PolarHBondContact SG-O 2.95Å
347S95.8Very high95.7Very high61 Ų6156 Ų5643%0.42733%0.33SS..Hα-helixtrans-75.6-15.2172.976.40000113.8A343 V344 I345A343-S347 PolarHBondContact O-N 3.14Å; V344-S347 WeakPolarHBondContact O-CB 3.48Å; V344-S347 PolarHBondContact O-N 3.01Å; V344-S347 PolarHBondContact O-OG 2.85Å; I345-S347 PolarHBondContact O-N 2.81Å
348C95.9Very high95.7Very high105 Ų10556 Ų5671%0.70934%0.338SS*.THydrogen-bonded Turntrans-111.74.5-177.2-55.80000113.4V344 I345 C346V344-C348 PolarHBondContact O-N 3.18Å; V344-C348 PolarHBondContact O-SG 3.42Å; I345-C348 PolarHBondContact O-N 3.33Å; C346-C348 VanDerWaalsContact C-N 3.27Å
349T95.1Very high95.6Very high30 Ų3053.8 Ų53.818%0.18433%0.329CS..SBendtrans-141164-177.1-170.70000111.6L222 I345 V354L222-T349 HydrophobicContact CD1-CG2 4.07Å; I345-T349 HydrophobicContact CG2-CG2 4.39Å; I345-T349 WeakPolarHBondContact O-CG2 3.44Å; I345-T349 PolarHBondContact O-N 3.39Å; T349-V354 HydrophobicContact CG2-CG2 3.84Å
350T94.8Very high95.7Very high61 Ų6156.4 Ų56.437%0.37435%0.347SS..  trans-95.9167.3168.763.10000110.9W202 Q352 G353 V354W202-T350 HydrophobicContact CH2-CG2 3.58Å; W202-T350 HydrophobicContact CZ2-CG2 3.81Å; T350-Q352 VanDerWaalsContact C-N 3.28Å; T350-Q352 PolarHBondContact O-N 3.25Å; T350-G353 PolarHBondContact O-N 3.07Å; T350-G353 VanDerWaalsContact O-N 3.12Å; T350-G353 PolarHBondContact OG1-N 3.09Å; T350-V354 WeakPolarHBondContact O-CG2 3.45Å; T350-V354 PolarHBondContact O-N 3.34Å; T350-V354 VanDerWaalsContact O-N 3.16Å
351Y94.1Very high95.6Very high35 Ų3557.4 Ų57.414%0.13736%0.358CS..THydrogen-bonded Turntrans-56.1-42.1175.2-173.7-90.1000112.6Y220 L222 R368 H371Y220-Y351 HydrophobicContact CD2-CE1 4.32Å; Y220-Y351 HydrophobicContact CG-CE1 4.25Å; Y220-Y351 VanDerWaalsContact O-CB 3.27Å; Y220-Y351 WeakPolarHBondContact O-CB 3.29Å; L222-Y351 HydrophobicContact CD2-CD2 3.9Å; L222-Y351 HydrophobicContact CG-CD2 4.37Å; Y351-R368 HydrophobicContact CD2-CB 4.43Å; Y351-R368 HydrophobicContact CD2-CG 3.97Å; Y351-R368 HydrophobicContact CE2-CB 3.77Å; Y351-R368 HydrophobicContact CE2-CG 3.61Å; Y351-R368 PolarHBondContact O-NE 3.12Å; Y351-R368 PolarHBondContact O-NH2 3.16Å; Y351-H371 HydrophobicContact CD2-CB 3.64Å; Y351-H371 HydrophobicContact CE2-CB 3.47Å; Y351-H371 VanDerWaalsContact CE2-CB 3.47Å; Y351-H371 AromaticContact CE2-CG 3.68Å; Y351-H371 AromaticContact CE2-ND1 3.9Å
352Q93.3Very high95.5Very high115 Ų11562.3 Ų62.354%0.53738%0.375SS..THydrogen-bonded Turntrans-71.7-39175.8-60.8-58.9-16.300111.6T350 V354 E355T350-Q352 VanDerWaalsContact C-N 3.28Å; T350-Q352 PolarHBondContact O-N 3.25Å; Q352-V354 PolarHBondContact O-N 3.04Å; Q352-V354 VanDerWaalsContact O-N 3.13Å; Q352-E355 PolarHBondContact O-N 3.25Å
353G93.2Very high95.5Very high28 Ų2865.1 Ų65.129%0.28939%0.39SS..G310 helixtrans-58.1-26.6176.800000114T350 E355 G356T350-G353 PolarHBondContact O-N 3.07Å; T350-G353 VanDerWaalsContact O-N 3.12Å; T350-G353 PolarHBondContact OG1-N 3.09Å; G353-E355 PolarHBondContact O-N 3Å; G353-G356 PolarHBondContact O-N 3.36Å; G353-G356 VanDerWaalsContact O-N 3.07Å
354V95.1Very high95.5Very high0 Ų067.7 Ų67.70%040%0.399CS..G310 helixtrans-59.5-30.8175177.60000112.7L222 T349 T350 Q352 G356 L357 R364 L367 R368L222-V354 HydrophobicContact CD1-CG2 4.32Å; T349-V354 HydrophobicContact CG2-CG2 3.84Å; T350-V354 WeakPolarHBondContact O-CG2 3.45Å; T350-V354 PolarHBondContact O-N 3.34Å; T350-V354 VanDerWaalsContact O-N 3.16Å; Q352-V354 PolarHBondContact O-N 3.04Å; Q352-V354 VanDerWaalsContact O-N 3.13Å; V354-G356 VanDerWaalsContact C-N 3.25Å; V354-G356 PolarHBondContact O-N 3.13Å; V354-L357 PolarHBondContact O-N 2.97Å; V354-R364 HydrophobicContact CG1-CB 3.89Å; V354-R364 HydrophobicContact CG1-CG 4.16Å; V354-R364 WeakPolarHBondContact CG1-O 3.47Å; V354-R364 VanDerWaalsContact O-CD 3.29Å; V354-R364 WeakPolarHBondContact O-CD 3.4Å; V354-L367 HydrophobicContact CG1-CB 3.98Å; V354-L367 HydrophobicContact CG1-CD1 4.11Å; V354-L367 HydrophobicContact CG2-CB 4.34Å; V354-R368 HydrophobicContact CB-CG 4.29Å; V354-R368 HydrophobicContact CG1-CG 4.1Å; V354-R368 HydrophobicContact CG2-CG 4.41Å
355E92.8Very high95.4Very high88 Ų8870.9 Ų70.941%0.41141%0.409SS..G310 helixtrans-60.7-37.8175.9-88.2-38.7137.500111.8Q352 G353 L357 R364 R368Q352-E355 PolarHBondContact O-N 3.25Å; G353-E355 PolarHBondContact O-N 3Å; E355-L357 VanDerWaalsContact C-N 3.28Å; E355-L357 PolarHBondContact O-N 2.8Å; E355-R364 PolarHBondContact O-NH1 3.2Å; E355-R364 IonicContact OE2-CZ 2.85Å; E355-R364 IonicContact OE2-NH1 3.1Å; E355-R364 PolarHBondContact OE2-NH1 2.59Å; E355-R368 VanDerWaalsContact CD-NH2 3.28Å; E355-R368 IonicContact OE1-CZ 3.99Å; E355-R368 IonicContact OE1-NH1 2.71Å; E355-R368 PolarHBondContact OE1-NH1 3.26Å; E355-R368 IonicContact OE1-NH2 3.57Å; E355-R368 PolarHBondContact OE1-NH2 3.22Å
356G93.3Very high95.3Very high70 Ų7069.7 Ų69.772%0.72240%0.401SS*.G310 helixtrans-80.1-5.4-173.900000114.4G353 V354G353-G356 PolarHBondContact O-N 3.36Å; G353-G356 VanDerWaalsContact O-N 3.07Å; V354-G356 VanDerWaalsContact C-N 3.25Å; V354-G356 PolarHBondContact O-N 3.13Å
357L95.4Very high95.4Very high49 Ų4969.5 Ų69.526%0.25740%0.399SS..SBendtrans-72.7139.7177.5-63176.8000110.4I345 V354 E355 L359 L367I345-L357 HydrophobicContact CG2-CD1 4.04Å; V354-L357 PolarHBondContact O-N 2.97Å; E355-L357 VanDerWaalsContact C-N 3.28Å; E355-L357 PolarHBondContact O-N 2.8Å; L357-L359 HydrophobicContact CB-CD1 4.01Å; L357-L359 HydrophobicContact CB-CG 4.09Å; L357-L359 HydrophobicContact CD1-CD1 4.08Å; L357-L359 PolarHBondContact O-N 2.75Å; L357-L367 HydrophobicContact CD1-CD1 3.73Å
358P96.6Very high95.3Very high129 Ų12968.4 Ų68.484%0.83839%0.386SS*.SBendtrans-76.260.1178.133.5-36.9000111.2
359L95.8Very high95.2Very high57 Ų5767.7 Ų67.730%0.29837%0.372SS..SBendtrans-124.5146.7-175.7-65.2176.4000111L357 L363 R364 L367L357-L359 HydrophobicContact CB-CD1 4.01Å; L357-L359 HydrophobicContact CB-CG 4.09Å; L357-L359 HydrophobicContact CD1-CD1 4.08Å; L357-L359 PolarHBondContact O-N 2.75Å; L359-L363 HydrophobicContact CB-CB 4.27Å; L359-L363 HydrophobicContact CD2-CD1 4.38Å; L359-R364 HydrophobicContact CB-CG 4Å; L359-R364 PolarHBondContact O-NE 2.7Å; L359-L367 HydrophobicContact CD1-CD1 3.72Å
360P97.3Very high95.2Very high72 Ų7267 Ų6747%0.46837%0.366SS..  trans-52.1147.8170-26.133.6000112.2Q362 L363 R364P360-Q362 PolarHBondContact O-N 3.27Å; P360-Q362 VanDerWaalsContact O-N 3.14Å; P360-L363 PolarHBondContact O-N 3Å; P360-R364 PolarHBondContact O-N 2.67Å
361P95.6Very high95.2Very high88 Ų8866.4 Ų66.457%0.57136%0.359SS*.Hα-helixtrans-52-39.7-178.6-25.632.2000114L363 R364 E365P361-L363 VanDerWaalsContact C-N 3.31Å; P361-L363 PolarHBondContact O-N 3.35Å; P361-R364 PolarHBondContact O-N 2.8Å; P361-R364 VanDerWaalsContact O-N 3.14Å; P361-E365 PolarHBondContact O-N 2.94Å
362Q96.5Very high95Very high161 Ų16165.1 Ų65.175%0.75235%0.354SS*.Hα-helixtrans-60.4-37.6178.3-66.2175.5-20.500113P360 Y366P360-Q362 PolarHBondContact O-N 3.27Å; P360-Q362 VanDerWaalsContact O-N 3.14Å; Q362-Y366 WeakPolarHBondContact O-CB 3.49Å; Q362-Y366 PolarHBondContact O-N 3.28Å
363L96.4Very high94.8Very high66 Ų6663.3 Ų63.335%0.34635%0.345SS..Hα-helixtrans-75.2-34.1176.9-69.9-174.6000111.5L359 P360 P361 E365 Y366 L367L359-L363 HydrophobicContact CB-CB 4.27Å; L359-L363 HydrophobicContact CD2-CD1 4.38Å; P360-L363 PolarHBondContact O-N 3Å; P361-L363 VanDerWaalsContact C-N 3.31Å; P361-L363 PolarHBondContact O-N 3.35Å; L363-E365 VanDerWaalsContact C-N 3.34Å; L363-Y366 WeakPolarHBondContact O-CB 3.27Å; L363-Y366 PolarHBondContact O-N 2.89Å; L363-L367 WeakPolarHBondContact O-CG 3.34Å; L363-L367 PolarHBondContact O-N 3.27Å
364R96.3Very high94.2Very high55 Ų5562.8 Ų62.821%0.20834%0.336CS..Hα-helixtrans-63.7-41.8173.5-67.5-173.4-73.1152.713.5111.2V354 E355 L359 P360 P361 L367 R368V354-R364 HydrophobicContact CG1-CB 3.89Å; V354-R364 HydrophobicContact CG1-CG 4.16Å; V354-R364 WeakPolarHBondContact CG1-O 3.47Å; V354-R364 VanDerWaalsContact O-CD 3.29Å; V354-R364 WeakPolarHBondContact O-CD 3.4Å; E355-R364 PolarHBondContact O-NH1 3.2Å; E355-R364 IonicContact OE2-CZ 2.85Å; E355-R364 IonicContact OE2-NH1 3.1Å; E355-R364 PolarHBondContact OE2-NH1 2.59Å; L359-R364 HydrophobicContact CB-CG 4Å; L359-R364 PolarHBondContact O-NE 2.7Å; P360-R364 PolarHBondContact O-N 2.67Å; P361-R364 PolarHBondContact O-N 2.8Å; P361-R364 VanDerWaalsContact O-N 3.14Å; R364-L367 PolarHBondContact O-N 3.33Å; R364-R368 WeakPolarHBondContact O-CG 3.36Å; R364-R368 PolarHBondContact O-N 3.12Å
365E95.9Very high93Very high143 Ų14367.2 Ų67.267%0.66836%0.36SS*.Hα-helixtrans-63.5-42172.7-173.6168.5-160.800112P361 L363 L367 R368 Q369P361-E365 PolarHBondContact O-N 2.94Å; L363-E365 VanDerWaalsContact C-N 3.34Å; E365-L367 VanDerWaalsContact C-N 3.35Å; E365-L367 PolarHBondContact O-N 2.96Å; E365-R368 PolarHBondContact O-N 3.36Å; E365-R368 VanDerWaalsContact O-N 3.12Å; E365-Q369 PolarHBondContact O-N 3.46Å
366Y96.6Very high91.1Very high41 Ų4165.9 Ų65.916%0.16137%0.37CS..Hα-helixtrans-59.3-41175.3177.9-103.7000113.5Q338 H339 R342 Q362 L363 R368 Q369Q338-Y366 HydrophobicContact CG-CD1 4.39Å; Q338-Y366 HydrophobicContact CG-CE1 3.66Å; H339-Y366 WeakPolarHBondContact CA-OH 3.44Å; H339-Y366 PolarHBondContact N-OH 3.36Å; R342-Y366 HydrophobicContact CB-CD1 4.36Å; R342-Y366 HydrophobicContact CB-CE1 3.71Å; R342-Y366 VanDerWaalsContact CD-O 3.3Å; R342-Y366 WeakPolarHBondContact CD-O 3.45Å; R342-Y366 HydrophobicContact CG-CE1 4.24Å; R342-Y366 VanDerWaalsContact NH1-CE2 3.28Å; R342-Y366 PolarHBondContact NH1-O 3.37Å; Q362-Y366 WeakPolarHBondContact O-CB 3.49Å; Q362-Y366 PolarHBondContact O-N 3.28Å; L363-Y366 WeakPolarHBondContact O-CB 3.27Å; L363-Y366 PolarHBondContact O-N 2.89Å; Y366-R368 VanDerWaalsContact C-N 3.28Å; Y366-R368 PolarHBondContact O-N 2.89Å; Y366-Q369 WeakPolarHBondContact O-CG 3.37Å; Y366-Q369 PolarHBondContact O-N 3.09Å
367L96.9Very high88.7Confident6 Ų667.7 Ų67.73%0.03138%0.378CS..Hα-helixtrans-65.8-31.6176.3-69177.1000112.1R342 I345 C346 V354 L357 L359 L363 R364 E365 Q369R342-L367 HydrophobicContact CB-CD2 3.85Å; R342-L367 HydrophobicContact CG-CD2 3.74Å; I345-L367 HydrophobicContact CB-CD2 4.18Å; I345-L367 HydrophobicContact CD1-CD2 4.29Å; I345-L367 HydrophobicContact CG2-CD1 3.85Å; I345-L367 HydrophobicContact CG2-CD2 4.05Å; C346-L367 PolarHBondContact SG-O 2.95Å; V354-L367 HydrophobicContact CG1-CB 3.98Å; V354-L367 HydrophobicContact CG1-CD1 4.11Å; V354-L367 HydrophobicContact CG2-CB 4.34Å; L357-L367 HydrophobicContact CD1-CD1 3.73Å; L359-L367 HydrophobicContact CD1-CD1 3.72Å; L363-L367 WeakPolarHBondContact O-CG 3.34Å; L363-L367 PolarHBondContact O-N 3.27Å; R364-L367 PolarHBondContact O-N 3.33Å; E365-L367 VanDerWaalsContact C-N 3.35Å; E365-L367 PolarHBondContact O-N 2.96Å; L367-Q369 VanDerWaalsContact C-N 3.34Å; L367-Q369 PolarHBondContact O-N 2.73Å
368R95.3Very high85.9Confident37 Ų3771.4 Ų71.414%0.1441%0.407CS..THydrogen-bonded Turntrans-82.7-2.8-179.6-76.4-180173161.84.6115.4Y351 V354 E355 R364 E365 Y366 Y370 H371Y351-R368 HydrophobicContact CD2-CB 4.43Å; Y351-R368 HydrophobicContact CD2-CG 3.97Å; Y351-R368 HydrophobicContact CE2-CB 3.77Å; Y351-R368 HydrophobicContact CE2-CG 3.61Å; Y351-R368 PolarHBondContact O-NE 3.12Å; Y351-R368 PolarHBondContact O-NH2 3.16Å; V354-R368 HydrophobicContact CB-CG 4.29Å; V354-R368 HydrophobicContact CG1-CG 4.1Å; V354-R368 HydrophobicContact CG2-CG 4.41Å; E355-R368 VanDerWaalsContact CD-NH2 3.28Å; E355-R368 IonicContact OE1-CZ 3.99Å; E355-R368 IonicContact OE1-NH1 2.71Å; E355-R368 PolarHBondContact OE1-NH1 3.26Å; E355-R368 IonicContact OE1-NH2 3.57Å; E355-R368 PolarHBondContact OE1-NH2 3.22Å; R364-R368 WeakPolarHBondContact O-CG 3.36Å; R364-R368 PolarHBondContact O-N 3.12Å; E365-R368 PolarHBondContact O-N 3.36Å; E365-R368 VanDerWaalsContact O-N 3.12Å; Y366-R368 VanDerWaalsContact C-N 3.28Å; Y366-R368 PolarHBondContact O-N 2.89Å; R368-Y370 PolarHBondContact O-N 3.44Å; R368-H371 PolarHBondContact O-ND1 2.67Å
369Q93.9Very high82.8Confident90 Ų9070.1 Ų70.142%0.42141%0.407SS..THydrogen-bonded Turntrans-57.4-35.9-175.8-73.6179.5-7.800113.6E365 Y366 L367 H371E365-Q369 PolarHBondContact O-N 3.46Å; Y366-Q369 WeakPolarHBondContact O-CG 3.37Å; Y366-Q369 PolarHBondContact O-N 3.09Å; L367-Q369 VanDerWaalsContact C-N 3.34Å; L367-Q369 PolarHBondContact O-N 2.73Å; Q369-H371 PolarHBondContact O-N 2.75Å
370Y94.8Very high79.7Confident17 Ų1775.9 Ų75.97%0.06746%0.463CS..SBendtrans-98.671.3-179.7-66.7-99000110.2V223 L226 D260 F268 R368V223-Y370 PolarHBondContact N-O 3.42Å; L226-Y370 HydrophobicContact CD1-CD1 3.83Å; L226-Y370 HydrophobicContact CD1-CE1 4.47Å; L226-Y370 HydrophobicContact CD1-CG 3.87Å; L226-Y370 HydrophobicContact CD2-CG 4.26Å; D260-Y370 PolarHBondContact OD2-OH 2.93Å; F268-Y370 AromaticContact CE1-CD1 3.99Å; F268-Y370 HydrophobicContact CE1-CD1 3.99Å; F268-Y370 AromaticContact CE1-CE1 3.78Å; F268-Y370 HydrophobicContact CE1-CE1 3.78Å; F268-Y370 AromaticContact CZ-CD1 3.65Å; F268-Y370 HydrophobicContact CZ-CD1 3.65Å; F268-Y370 AromaticContact CZ-CE1 3.94Å; F268-Y370 HydrophobicContact CZ-CE1 3.94Å; R368-Y370 PolarHBondContact O-N 3.44Å
371H93.4Very high78.8Confident48 Ų4876.1 Ų76.122%0.22246%0.463CS..EExtended strand (participates in β ladder)trans-118152.3175.369.8-96.3000111.4Y220 I221 L267 Y351 R368 Q369Y220-H371 AromaticContact CD1-CD2 3.36Å; Y220-H371 WeakPolarHBondContact CD1-CD2 3.37Å; Y220-H371 AromaticContact CD1-NE2 3.84Å; Y220-H371 AromaticContact CE1-CD2 3.86Å; Y220-H371 AromaticContact CE1-NE2 3.88Å; I221-H371 CarbonylContact O-C 3.59Å; I221-H371 WeakPolarHBondContact O-CA 3.38Å; I221-H371 WeakPolarHBondContact O-CB 3.37Å; L267-H371 WeakPolarHBondContact CD1-O 3.27Å; Y351-H371 HydrophobicContact CD2-CB 3.64Å; Y351-H371 HydrophobicContact CE2-CB 3.47Å; Y351-H371 VanDerWaalsContact CE2-CB 3.47Å; Y351-H371 AromaticContact CE2-CG 3.68Å; Y351-H371 AromaticContact CE2-ND1 3.9Å; R368-H371 PolarHBondContact O-ND1 2.67Å; Q369-H371 PolarHBondContact O-N 2.75Å
372I91.1Very high77.9Confident7 Ų775.5 Ų75.54%0.03646%0.457CS..EExtended strand (participates in β ladder)trans-120152.8174.458.9167.5000109.5Y220 I221 V223 L267 Q285 F290Y220-I372 WeakPolarHBondContact CA-O 3.42Å; I221-I372 HydrophobicContact CD1-CD1 3.68Å; I221-I372 HydrophobicContact CD1-CG1 3.93Å; I221-I372 HydrophobicContact CG1-CD1 3.7Å; I221-I372 HydrophobicContact CG1-CG1 3.33Å; I221-I372 PolarHBondContact N-O 3.17Å; I221-I372 PolarHBondContact O-N 3.13Å; V223-I372 HydrophobicContact CG2-CG2 4.07Å; L267-I372 HydrophobicContact CD1-CG2 3.57Å; Q285-I372 HydrophobicContact CG-CB 3.96Å; Q285-I372 HydrophobicContact CG-CD1 3.84Å; Q285-I372 HydrophobicContact CG-CG1 4.46Å; Q285-I372 HydrophobicContact CG-CG2 4.09Å; F290-I372 HydrophobicContact CE1-CD1 4.35Å; F290-I372 HydrophobicContact CE1-CG2 4.14Å; F290-I372 HydrophobicContact CZ-CD1 3.85Å; F290-I372 HydrophobicContact CZ-CG2 4.42Å
373K87.8Confident76.9Confident78 Ų7870.7 Ų70.734%0.33944%0.441SS..EExtended strand (participates in β ladder)trans-97.2113.7-176.3-176.3-169.6167-152.90109T218 Y220 Q285 D375T218-K373 HydrophobicContact CG2-CD 4.46Å; Y220-K373 HydrophobicContact CD1-CB 4.2Å; Y220-K373 HydrophobicContact CD1-CG 4.46Å; Y220-K373 HydrophobicContact CE1-CB 4.04Å; Y220-K373 HydrophobicContact CE1-CG 4.09Å; Q285-K373 PolarHBondContact NE2-O 3.23Å; Q285-K373 PolarHBondContact OE1-O 3.44Å; K373-D375 WeakPolarHBondContact CE-OD1 3.3Å; K373-D375 IonicContact NZ-OD1 2.67Å; K373-D375 PolarHBondContact NZ-OD1 3.13Å; K373-D375 IonicContact NZ-OD2 3.57Å; K373-D375 PolarHBondContact O-N 3.14Å
374C81.3Confident75.7Confident16 Ų1671 Ų7111%0.10845%0.447CS..EExtended strand (participates in β ladder)trans-83.5103168.1-66.90000108.6D219 I221 G376D219-C374 HydrophobicContact CB-CB 4.41Å; D219-C374 PolarHBondContact N-O 2.86Å; D219-C374 WeakPolarHBondContact O-CA 3.49Å; D219-C374 WeakPolarHBondContact O-CB 2.92Å; D219-C374 PolarHBondContact O-N 3.02Å; I221-C374 WeakPolarHBondContact CD1-SG 3.49Å; C374-G376 PolarHBondContact O-N 2.76Å
375D69.9Low74.5Confident93 Ų9372 Ų7250%0.49746%0.461SS..  trans-66.1118.8160.2-75-43000107.2K373 A377K373-D375 WeakPolarHBondContact CE-OD1 3.3Å; K373-D375 IonicContact NZ-OD1 2.67Å; K373-D375 PolarHBondContact NZ-OD1 3.13Å; K373-D375 IonicContact NZ-OD2 3.57Å; K373-D375 PolarHBondContact O-N 3.14Å; D375-A377 PolarHBondContact O-N 3.24Å
376G53.6Low73Confident61 Ų6167.3 Ų67.363%0.62945%0.448SS*.  trans-51.1123.817800000109.2C374 C378C374-G376 PolarHBondContact O-N 2.76Å; G376-C378 PolarHBondContact O-N 3.47Å
377A43Very low71.3Confident107 Ų10769.1 Ų69.188%0.88447%0.468SS*.  trans-64.785.5178.200000109.9D375D375-A377 PolarHBondContact O-N 3.24Å
378C36.2Very low69.4Low127 Ų12774 Ų7486%0.85850%0.502SS*.  trans-135.871.1167.3-76.80000108.7G376G376-C378 PolarHBondContact O-N 3.47Å
379A31.5Very low67.2Low103 Ų10377.1 Ų77.185%0.85153%0.532SS*.  trans-172.883.7151.900000108.2
380A30.2Very low64.8Low178 Ų17875.9 Ų75.9100%1.47154%0.542SS*.  trans-93.7015400000107.9

Retrieved 380 of 380 residues in 54.1 ms (Link to these results)