A0A061IPN2_CRIGR Loading...

SH3 and cysteine-rich domain-containing protein 3

Required for normal excitation-contraction coupling in skeletal muscle and for normal muscle contraction in response to membrane depolarization. Required for normal Ca(2+) release from the sarcplasmic reticulum, which ultimately leads to muscle contraction. Probably functions via its effects on muscle calcium channels. Increases CACNA1S channel activity, in addition to its role in enhancing the expression of CACNA1S at the cell membrane. Has a redundant role in promoting the expression of the calcium channel CACNA1S at the cell membrane. Slows down the inactivation rate of the calcium channel CACNA1C.

AlphaFold DB , UniProt , Accession A0A061IPN2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 364 aa.

Structure Viewer
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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.1Very low34.5Very low232 Ų232159.8 Ų159.8100%1.14383%0.825SS**  0142.50-80.2175.5152.700107.3
2T36.3Very low35.7Very low129 Ų129155.3 Ų155.379%0.79181%0.814SS**  trans56.4147.7175.155.90000117.4
3E32.1Very low36.1Very low162 Ų162152.4 Ų152.476%0.75781%0.81SS**  cis-175.9152.1-36-121-177.1153.200106.8
4K37.1Very low36.1Very low174 Ų174155.4 Ų155.476%0.75781%0.813SS**  trans67.9149.1173.3-58.3-179.8177.7-169.70116
5E36.6Very low36.3Very low161 Ų161153.3 Ų153.375%0.75281%0.812SS**  cis-157.7-174.3-2.4-128177111.800111.3
6V34.3Very low35.9Very low133 Ų133149.1 Ų149.181%0.80681%0.806SS**  trans111.8135.4158.4-173.30000117.4
7L35Very low35.6Very low146 Ų146152.2 Ų152.276%0.76481%0.814SS**  trans-58.2157.3176.9-72.466.8000112.1
8E29.9Very low35.8Very low184 Ų184150.1 Ų150.186%0.8681%0.808SS**  -170.4166.258.7-159.8162.6127.800111.8
9S35.1Very low35.9Very low109 Ų109149.1 Ų149.176%0.76281%0.81SS**  trans-65.6156-168.3-48.70000116.2
10P41.1Very low35.9Very low120 Ų120150.3 Ų150.378%0.77981%0.81SS**  -159.2168.287.740.9-20.8000120.3
11K28.8Very low36.1Very low208 Ų208147.2 Ų147.290%0.90480%0.8SS**  trans83.8153.1153.2-90.2-162161.6172.50122.4
12P49.7Very low36.6Very low106 Ų106140.2 Ų140.269%0.68879%0.787SS**  trans-116.3-169-163.544.5-31.8000114.5
13P40.2Very low37.2Very low117 Ų117141.1 Ų141.176%0.7679%0.786SS**  -147.1-168.8103.539.4-21.4000116.9
14F36.6Very low37.7Very low194 Ų194142 Ų14285%0.85179%0.79SS**  trans-59.5166.3-179.2-54.9-86.4000117.6
15P38.9Very low38Very low125 Ų125145.1 Ų145.181%0.81280%0.798SS**  -138.717287.534.2-18.5000112.9
16A30.4Very low38.3Very low86 Ų86144.8 Ų144.871%0.71180%0.8SS**  cis166.6122.3-23.900000104.5
17E30.5Very low38.7Very low201 Ų201147.8 Ų147.894%0.93980%0.802SS**  trans-143.9164.5166.8-78.2-149.5136.800112.5
18T39.8Very low39.1Very low114 Ų114149.7 Ų149.770%0.69981%0.807SS**  trans-75158.8-155.446.50000117.2
19P36.1Very low39.7Very low131 Ų131147.9 Ų147.985%0.85180%0.802SS**  trans-80.1120.6175.432.6-32.9000112.2
20Q36.8Very low39.8Very low173 Ų173152.1 Ų152.181%0.80881%0.807SS**  trans-121.6129.5167.3-74.2-165.9-10.500112.9
21S40.2Very low39.8Very low87 Ų87156 Ų15661%0.60881%0.811SS**  trans11.4125.5159.354.40000120.2L23S21-L23 PolarHBondContact O-N 2.8Å
22G42.8Very low40.1Very low84 Ų84156.4 Ų156.487%0.86681%0.813SS**SBendtrans-70.448.717000000115.7
23L48.9Very low39.1Very low149 Ų149155 Ų15578%0.7882%0.818SS**  trans-105.88.2174.9-76.1176.6000114S21S21-L23 PolarHBondContact O-N 2.8Å
24Q42.7Very low38.9Very low179 Ų179154.9 Ų154.984%0.83682%0.82SS**SBendtrans-107.8-0.3179.6-72.6178.1-7.700114.9L26Q24-L26 VanDerWaalsContact C-N 3.35Å; Q24-L26 PolarHBondContact O-N 3.45Å
25R43.7Very low39Very low241 Ų241151.7 Ų151.791%0.90982%0.819SS**THydrogen-bonded Turntrans-88.110.7175.7-111.7-178.7179.6-177.6-0.7115.6
26L42.6Very low38.7Very low154 Ų154154.6 Ų154.681%0.80682%0.822SS**THydrogen-bonded Turntrans-112.65.7176.7-115.784000115.2Q24Q24-L26 VanDerWaalsContact C-N 3.35Å; Q24-L26 PolarHBondContact O-N 3.45Å
27K43.8Very low39.1Very low195 Ų195156.9 Ų156.985%0.84883%0.827SS**SBendtrans-104.115.7-179.6-76.9-167.5174.1-175.80115.2
28Q43.1Very low39.1Very low186 Ų186153.9 Ų153.987%0.86982%0.822SS**SBendtrans-117.122.8-178.9-151173.22.800114.1
29I41.2Very low38.9Very low147 Ų147157.6 Ų157.675%0.75483%0.832SS**SBendtrans-122.1-26.5175.6-57.2179.8000112K31I29-K31 PolarHBondContact O-N 3.21Å
30F38.2Very low38.8Very low197 Ų197160.2 Ų160.286%0.86484%0.835SS**SBendtrans-96.169.3176.9-82.3-86.6000113.1
31K41.4Very low39.1Very low201 Ų201160.8 Ų160.887%0.87484%0.838SS**  trans-15662.1167.4-132.5-178.4-174.2-170.60116.1I29I29-K31 PolarHBondContact O-N 3.21Å
32K35.5Very low39.5Very low218 Ų218161.6 Ų161.695%0.94884%0.84SS**SBendtrans-178.2131.2158.6-106.7-177.7174.8-1710106.2
33G28.6Very low39.6Very low76 Ų76163.2 Ų163.278%0.78484%0.836SS**  cis-158155.9-16.100000107.4
34S35.6Very low39.4Very low115 Ų115162.1 Ų162.180%0.80484%0.838SS**PPolyproline II helixtrans-96.7135.1-17848.20000111.6
35P37.8Very low39.5Very low127 Ų127162.1 Ų162.183%0.82584%0.838SS**PPolyproline II helixtrans-75.9148.7160.732.2-31.2000110.5
36E33.6Very low39.4Very low186 Ų186156.8 Ų156.887%0.86984%0.835SS**PPolyproline II helixtrans-94.3158.7-173.5-162.4164115.200111.6
37T37.6Very low39.1Very low133 Ų133158.2 Ų158.282%0.81684%0.837SS**PPolyproline II helixtrans-85.2126.1-179.148.50000112
38T31.5Very low39.1Very low138 Ų138154 Ų15485%0.84784%0.838SS**  trans-127.9137.1161.9-58.50000109.4
39E35.9Very low39Very low193 Ų193152 Ų15290%0.90283%0.834SS**  trans-80.5160.6-170.8-58.7-178.6134.100112.8
40M33.8Very low39.5Very low185 Ų185148.8 Ų148.891%0.91184%0.837SS**  trans-107111-172.9-172.7170.675.300110.3
41E43.1Very low40Very low186 Ų186148 Ų14887%0.86984%0.836SS**PPolyproline II helixtrans-90149.4164.7-92.4-147.8115.400111.4
42P48.8Very low40Very low103 Ų103142.9 Ų142.967%0.66983%0.831SS**PPolyproline II helixtrans-81155.1-174.933.3-35.8000113.4
43P45.4Very low40.9Very low118 Ų118137.3 Ų137.377%0.76682%0.815SS**PPolyproline II helixtrans-75.7146.9178.531.8-35.3000112.4
44P43.3Very low42.2Very low127 Ų127134.5 Ų134.583%0.82579%0.786SS**PPolyproline II helixtrans-75.3139172.430.5-33.6000112
45E45.3Very low43.3Very low178 Ų178135 Ų13583%0.83280%0.797SS**PPolyproline II helixtrans-69.7146.4174.4-67.7-177.2134.200112.5
46P41Very low44.3Very low130 Ų130132.8 Ų132.884%0.84480%0.798SS**PPolyproline II helixtrans-78126.3177.131.3-33.2000111.4
47Q36.2Very low45.1Very low183 Ų183127 Ų12786%0.85579%0.787SS**PPolyproline II helixtrans-99.9147.8168.8-71.5-164.4-2000112.4N49Q47-N49 PolarHBondContact O-N 3.48Å
48A44.7Very low45.6Very low106 Ų106122.3 Ų122.388%0.87677%0.766SS**SBendtrans-92.685.9-15900000114.2
49N40.9Very low46.3Very low145 Ų145120.6 Ų120.678%0.77576%0.757SS**  trans-158.5111.6152.153.2-65.2000109.2Q47 E51Q47-N49 PolarHBondContact O-N 3.48Å; N49-E51 PolarHBondContact O-N 2.89Å
50G52.2Low47Very low79 Ų79116 Ų11681%0.81474%0.738SS**  trans-73.4110.6-173.100000112.8
51E48.1Very low47.8Very low181 Ų181116.5 Ų116.585%0.84673%0.731SS**  trans-174.8103.4132.1-103.8175.996.700108.9N49 V53N49-E51 PolarHBondContact O-N 2.89Å; E51-V53 PolarHBondContact O-N 3.34Å
52A42.3Very low47.8Very low94 Ų94116.3 Ų116.378%0.77772%0.724SS**  trans-86.2103.3174.200000109.5
53V52.9Low48.1Very low100 Ų100118.2 Ų118.261%0.60673%0.727SS**  trans-89.5121.3-179.6-175.10000109.7E51E51-V53 PolarHBondContact O-N 3.34Å
54G55.5Low48.4Very low17 Ų17122.5 Ų122.518%0.17573%0.729CS.*  trans-66.6160.2172.800000112.1G56 G57G54-G56 PolarHBondContact O-N 3.2Å; G54-G57 PolarHBondContact O-N 3.48Å
55A59.2Low48.9Very low126 Ų126124.6 Ų124.6100%1.04173%0.728SS**THydrogen-bonded Turntrans-62.14.5-170.500000116.9
56G58.4Low48.9Very low81 Ų81125 Ų12584%0.83573%0.73SS**THydrogen-bonded Turntrans-120.79.4172.700000115.2G54G54-G56 PolarHBondContact O-N 3.2Å
57G52Low49.2Very low63 Ų63127.7 Ų127.765%0.64973%0.731SS**SBendtrans79.224172.900000116.3G54G54-G57 PolarHBondContact O-N 3.48Å
58G47.7Very low49.8Very low36 Ų36127.7 Ų127.737%0.37173%0.731SS.*SBendtrans-131.6157.6176.500000112.7
59P46.5Very low50Low101 Ų101131.5 Ų131.566%0.65673%0.73SS**  trans-69.6139.8179.528.9-34.5000111.7Y61P59-Y61 HydrophobicContact CG-CE2 4.44Å
60I49.7Very low50.6Low98 Ų98133.6 Ų133.650%0.50374%0.736SS.*  trans-85.6123.2176.9-63.1170000108.6Y62I60-Y62 HydrophobicContact CG2-CE1 4.39Å; I60-Y62 HydrophobicContact CG2-CE2 4.25Å
61Y49.8Very low50.7Low195 Ų195138.8 Ų138.877%0.76574%0.739SS**  trans-91.5115.8169.2-67.4-86000109.2P59 I63P59-Y61 HydrophobicContact CG-CE2 4.44Å; Y61-I63 PolarHBondContact O-N 2.72Å
62Y44.2Very low51.2Low182 Ų182139.1 Ų139.171%0.71474%0.74SS**  trans-78.9109.4167.5-62.7-83.6000108.6I60I60-Y62 HydrophobicContact CG2-CE1 4.39Å; I60-Y62 HydrophobicContact CG2-CE2 4.25Å
63I56Low51.9Low143 Ų143143.2 Ų143.273%0.73374%0.743SS**  trans-83.1115.5165.2-59.2173.3000105.6Y61 E65Y61-I63 PolarHBondContact O-N 2.72Å; I63-E65 HydrophobicContact CG2-CG 4.32Å; I63-E65 PolarHBondContact O-N 2.86Å
64Y50.3Low52.1Low207 Ų207147.3 Ų147.381%0.81276%0.756SS**  trans-79.4102.7167.7-69.8-96000106.9E66Y64-E66 PolarHBondContact O-N 2.88Å
65E53.4Low52.6Low172 Ų172155 Ų15580%0.80479%0.787SS**  trans-75.7112.3159.3-68.2-179.3165.700105.8I63 E67I63-E65 HydrophobicContact CG2-CG 4.32Å; I63-E65 PolarHBondContact O-N 2.86Å; E65-E67 PolarHBondContact O-N 2.91Å
66E46.4Very low52.9Low187 Ų187154.5 Ų154.587%0.87477%0.773SS**  trans-68.899.8171.3-73.7176.4143.200107.4Y64 E68Y64-E66 PolarHBondContact O-N 2.88Å; E66-E68 PolarHBondContact O-N 3.27Å
67E47.6Very low53.4Low186 Ų186156.2 Ų156.287%0.86977%0.77SS**  trans-66.290161.8-73.4-175148.300107.5E65 E69E65-E67 PolarHBondContact O-N 2.91Å; E67-E69 VanDerWaalsContact C-N 3.32Å; E67-E69 PolarHBondContact O-N 3Å
68E48.3Very low54Low183 Ų183159.1 Ų159.186%0.85578%0.777SS**  trans-66.593.5167.3-165.9167.5-144.700107E66 E70E66-E68 PolarHBondContact O-N 3.27Å; E68-E70 PolarHBondContact O-N 2.86Å
69E48.6Very low55Low185 Ų185164.3 Ų164.386%0.86479%0.792SS**  trans-59.3100.5171.4-74.3-174138.700108.3E67 E71E67-E69 VanDerWaalsContact C-N 3.32Å; E67-E69 PolarHBondContact O-N 3Å; E69-E71 PolarHBondContact O-N 3Å
70E52.8Low55.7Low189 Ų189164.7 Ų164.788%0.88379%0.794SS**  trans-60.8100.1167.3-77.6-171.5141.900108.2E68 E72E68-E70 PolarHBondContact O-N 2.86Å; E70-E72 PolarHBondContact O-N 3.44Å
71E55.6Low56.1Low189 Ų189166.1 Ų166.188%0.88381%0.81SS**  trans-65.495.9175.2-158174.2-153.800108.3E69 E73E69-E71 PolarHBondContact O-N 3Å; E71-E73 PolarHBondContact O-N 3.32Å
72E58.1Low56.4Low187 Ų187163.7 Ų163.787%0.87481%0.806SS**  trans-63.9100.7-179.4-170.1175.3-164.600109.5E70 E74E70-E72 PolarHBondContact O-N 3.44Å; E72-E74 PolarHBondContact O-N 2.86Å
73E57.3Low56.9Low181 Ų181163 Ų16385%0.84681%0.813SS**  trans-63.496.8-179.1-171177.8-172.600110.2E71 E75E71-E73 PolarHBondContact O-N 3.32Å; E73-E75 PolarHBondContact O-N 3.42Å
74E57.4Low56.9Low186 Ų186161.5 Ų161.587%0.86981%0.811SS**  trans-56.2111.5173.8-87-162137.300109.9E72E72-E74 PolarHBondContact O-N 2.86Å
75E64.6Low57.4Low179 Ų179153 Ų15384%0.83678%0.779SS**PPolyproline II helixtrans-54.5132.9175.4-75.7-163.6154.200110.5E73E73-E75 PolarHBondContact O-N 3.42Å
76P66.4Low58.1Low114 Ų114150.8 Ų150.874%0.7477%0.773SS**PPolyproline II helixtrans-61139.1-177.724.4-33.9000110.8
77P69.8Low59.5Low117 Ų117147.5 Ų147.576%0.7676%0.756SS**PPolyproline II helixtrans-58134.4-174.422.5-33.6000110.8E79P77-E79 PolarHBondContact O-N 3.4Å
78P64.7Low61.1Low124 Ų124141.9 Ų141.981%0.80574%0.735SS**PPolyproline II helixtrans-58.8129.3-169.621.7-33.6000111.2
79E67.6Low62.8Low145 Ų145134.1 Ų134.168%0.67870%0.699SS**PPolyproline II helixtrans-51.9135.9-179.5-73.9-164.5173.900110.8P77 Q82P77-E79 PolarHBondContact O-N 3.4Å; E79-Q82 PolarHBondContact OE2-NE2 3.01Å
80P61.8Low64.5Low110 Ų110131.8 Ų131.871%0.71469%0.686SS**PPolyproline II helixtrans-58.3133.4176.525.4-33.7000108.8Q82P80-Q82 PolarHBondContact O-N 3.42Å
81P58Low66.3Low128 Ų128124.4 Ų124.483%0.83165%0.651SS**  trans-56.3109.6-169.920.2-32.8000110.1L83P81-L83 PolarHBondContact O-N 3.2Å
82Q54.8Low67.9Low144 Ų144121.7 Ų121.767%0.67364%0.636SS**  trans-56.5126179.1-60.5-173.213.400107.3E79 P80 V84E79-Q82 PolarHBondContact OE2-NE2 3.01Å; P80-Q82 PolarHBondContact O-N 3.42Å; Q82-V84 VanDerWaalsContact O-CG2 3.3Å; Q82-V84 WeakPolarHBondContact O-CG2 3.43Å; Q82-V84 PolarHBondContact O-N 3.34Å
83L55.9Low69.4Low167 Ų167117.5 Ų117.587%0.87462%0.62SS**  trans-78.173.6-172.9-143.2169.6000108.8P81 N85P81-L83 PolarHBondContact O-N 3.2Å; L83-N85 PolarHBondContact O-N 2.96Å; L83-N85 VanDerWaalsContact O-N 3.1Å
84V55.1Low70.7Confident112 Ų112111.8 Ų111.868%0.67959%0.593SS**  trans-61.1116-171.5-167.20000108.7Q82 D86Q82-V84 VanDerWaalsContact O-CG2 3.3Å; Q82-V84 WeakPolarHBondContact O-CG2 3.43Å; Q82-V84 PolarHBondContact O-N 3.34Å; V84-D86 PolarHBondContact O-N 3.15Å
85N62.2Low72.1Confident28 Ų28108.5 Ų108.515%0.1558%0.576CS.*  trans-72100.4178.2179.10.4000109.3L83 K87 P88 E135 Q137 R138L83-N85 PolarHBondContact O-N 2.96Å; L83-N85 VanDerWaalsContact O-N 3.1Å; N85-K87 PolarHBondContact O-N 3.36Å; N85-K87 PolarHBondContact OD1-N 3.1Å; N85-K87 PolarHBondContact OD1-O 3.33Å; N85-P88 WeakPolarHBondContact O-CD 3.41Å; N85-E135 PolarHBondContact ND2-O 3.47Å; N85-Q137 VanDerWaalsContact ND2-C 3.25Å; N85-Q137 PolarHBondContact ND2-O 3.35Å; N85-R138 WeakPolarHBondContact OD1-CA 3.35Å
86D67.8Low72.9Confident125 Ų125100.1 Ų100.167%0.66854%0.537SS*.SBendtrans-48.3-25.9-178.9-52.8-43.8000114.6V84 R138V84-D86 PolarHBondContact O-N 3.15Å; D86-R138 IonicContact OD2-CZ 3.94Å; D86-R138 IonicContact OD2-NH1 2.7Å; D86-R138 PolarHBondContact OD2-NH1 3.14Å
87K75.5Confident73.5Confident118 Ų118103.4 Ų103.451%0.51354%0.54SS..SBendtrans-139.878.3-176.6-65.4-171.4178.9-178.60110.2N85 R138 C139N85-K87 PolarHBondContact O-N 3.36Å; N85-K87 PolarHBondContact OD1-N 3.1Å; N85-K87 PolarHBondContact OD1-O 3.33Å; K87-R138 HydrophobicContact CB-CG 4.21Å; K87-C139 WeakPolarHBondContact O-CB 3.41Å; K87-C139 PolarHBondContact O-N 2.98Å
88P80.4Confident74Confident69 Ų69105.5 Ų105.545%0.44854%0.537SS..  trans-69.4154.3-179.430.2-33.5000111.8N85 K90N85-P88 WeakPolarHBondContact O-CD 3.41Å; P88-K90 PolarHBondContact O-N 3.05Å
89H83.8Confident74.7Confident19 Ų19103.6 Ų103.69%0.08852%0.524CS..  trans-73.6114174.9-78.7-102.3000111F91 C119 C122 V134 Q137 C139H89-F91 HydrophobicContact CB-CD2 3.81Å; H89-F91 HydrophobicContact CB-CE1 4.44Å; H89-F91 HydrophobicContact CB-CE2 3.26Å; H89-F91 HydrophobicContact CB-CZ 3.61Å; H89-F91 AromaticContact CG-CZ 3.97Å; H89-F91 WeakPolarHBondContact O-CD2 3.39Å; H89-F91 PolarHBondContact O-N 3.34Å; H89-C119 PolarHBondContact ND1-SG 3.12Å; H89-C122 PolarHBondContact CE1-SG 3.02Å; H89-C122 PolarHBondContact ND1-SG 3.31Å; H89-V134 HydrophobicContact CB-CG1 4.5Å; H89-Q137 PolarHBondContact CD2-O 3.01Å; H89-C139 HydrophobicContact CB-CB 4.46Å; H89-C139 WeakPolarHBondContact NE2-CA 3.48Å
90K86.1Confident75.5Confident136 Ų136101.2 Ų101.259%0.59151%0.512SS*.  trans-78.286.5171.4-63.2-168.5178.5-171.30110.5P88 C119 K120P88-K90 PolarHBondContact O-N 3.05Å; K90-C119 WeakPolarHBondContact O-CA 3.25Å; K90-K120 PolarHBondContact O-N 3.02Å
91F89.9Confident76.6Confident35 Ų35101.8 Ų101.815%0.15450%0.503CS..EExtended strand (participates in β ladder)trans-72154.5174.3-70.1-71000112.3H89 L117 C119 I126 Q131 V134H89-F91 HydrophobicContact CB-CD2 3.81Å; H89-F91 HydrophobicContact CB-CE1 4.44Å; H89-F91 HydrophobicContact CB-CE2 3.26Å; H89-F91 HydrophobicContact CB-CZ 3.61Å; H89-F91 AromaticContact CG-CZ 3.97Å; H89-F91 WeakPolarHBondContact O-CD2 3.39Å; H89-F91 PolarHBondContact O-N 3.34Å; F91-L117 HydrophobicContact CB-CB 4.22Å; F91-L117 HydrophobicContact CB-CD2 4.42Å; F91-L117 HydrophobicContact CD1-CB 3.91Å; F91-L117 HydrophobicContact CG-CB 4.27Å; F91-C119 HydrophobicContact CD1-CB 3.89Å; F91-C119 HydrophobicContact CE1-CB 3.71Å; F91-C119 HydrophobicContact CZ-CB 4.38Å; F91-I126 HydrophobicContact CD1-CD1 4.07Å; F91-I126 HydrophobicContact CD1-CG1 4.23Å; F91-I126 HydrophobicContact CD2-CD1 4.4Å; F91-I126 HydrophobicContact CE1-CD1 3.49Å; F91-I126 VanDerWaalsContact CE1-CD1 3.49Å; F91-I126 HydrophobicContact CE1-CG1 3.78Å; F91-I126 HydrophobicContact CE2-CD1 3.83Å; F91-I126 HydrophobicContact CZ-CD1 3.36Å; F91-I126 HydrophobicContact CZ-CG1 4.17Å; F91-Q131 HydrophobicContact CD2-CG 4.21Å; F91-V134 HydrophobicContact CE2-CB 4.19Å; F91-V134 HydrophobicContact CE2-CG1 4.1Å; F91-V134 HydrophobicContact CZ-CB 4.13Å; F91-V134 HydrophobicContact CZ-CG1 3.79Å
92K89.4Confident78Confident131 Ų13195.8 Ų95.857%0.5746%0.464SS*.EExtended strand (participates in β ladder)trans-150.8143.9165.4-178.2173.4176173.50108.8R118K92-R118 PolarHBondContact N-O 2.71Å; K92-R118 PolarHBondContact O-N 2.77Å
93D89.9Confident79.4Confident99 Ų9992.1 Ų92.153%0.52945%0.449SS..EExtended strand (participates in β ladder)trans-49.1133.5172.6-51.4-8.8000112.1F115 L117D93-F115 HydrophobicContact CB-CE2 3.71Å; D93-F115 HydrophobicContact CB-CZ 3.65Å; D93-L117 WeakPolarHBondContact OD1-CD2 3.46Å
94H84.3Confident80.8Confident62 Ų6287.1 Ų87.129%0.28743%0.426SS..  trans-148.4112.4-177.8-178.9-70.5000111.6F96 G116 R118H94-F96 HydrophobicContact CB-CE1 4.36Å; H94-F96 HydrophobicContact CB-CZ 4.21Å; H94-F96 AromaticContact CE1-CD1 3.73Å; H94-F96 AromaticContact CE1-CE1 3.92Å; H94-F96 AromaticContact CG-CE1 3.94Å; H94-F96 AromaticContact ND1-CD1 3.25Å; H94-F96 VanDerWaalsContact ND1-CD1 3.25Å; H94-F96 WeakPolarHBondContact ND1-CD1 3.34Å; H94-F96 AromaticContact ND1-CE1 3.18Å; H94-F96 WeakPolarHBondContact ND1-CE1 3.37Å; H94-F96 AromaticContact ND1-CG 3.91Å; H94-F96 AromaticContact ND1-CZ 3.79Å; H94-F96 VanDerWaalsContact O-CD2 3.3Å; H94-F96 WeakPolarHBondContact O-CD2 3.43Å; H94-F96 VanDerWaalsContact O-CE2 3.24Å; H94-F96 WeakPolarHBondContact O-CE2 3.36Å; H94-F96 PolarHBondContact O-N 2.96Å; H94-G116 PolarHBondContact N-O 3.01Å; H94-R118 HydrophobicContact CB-CB 3.88Å; H94-R118 PolarHBondContact CD2-NH1 3.4Å; H94-R118 PolarHBondContact CE1-NH1 3.36Å; H94-R118 PolarHBondContact NE2-NH1 3.47Å
95F85.5Confident82.1Confident117 Ų11783.9 Ų83.951%0.51341%0.407SS..  trans-68.5119.1172.8-176-88.2000112.2K97 N113F95-K97 HydrophobicContact CD1-CG 4.34Å; F95-K97 HydrophobicContact CE1-CG 4.41Å; F95-K97 PolarHBondContact O-N 3.27Å; F95-N113 WeakPolarHBondContact CD2-O 3.23Å; F95-N113 HydrophobicContact CE2-CB 4.41Å; F95-N113 WeakPolarHBondContact CE2-O 3.36Å
96F81.6Confident83.2Confident3 Ų386.2 Ų86.21%0.01343%0.431CS..  trans-90.699.5-176.8-61-70.9000112.4H94 K98 K100 I109 K114 N125H94-F96 HydrophobicContact CB-CE1 4.36Å; H94-F96 HydrophobicContact CB-CZ 4.21Å; H94-F96 AromaticContact CE1-CD1 3.73Å; H94-F96 AromaticContact CE1-CE1 3.92Å; H94-F96 AromaticContact CG-CE1 3.94Å; H94-F96 AromaticContact ND1-CD1 3.25Å; H94-F96 VanDerWaalsContact ND1-CD1 3.25Å; H94-F96 WeakPolarHBondContact ND1-CD1 3.34Å; H94-F96 AromaticContact ND1-CE1 3.18Å; H94-F96 WeakPolarHBondContact ND1-CE1 3.37Å; H94-F96 AromaticContact ND1-CG 3.91Å; H94-F96 AromaticContact ND1-CZ 3.79Å; H94-F96 VanDerWaalsContact O-CD2 3.3Å; H94-F96 WeakPolarHBondContact O-CD2 3.43Å; H94-F96 VanDerWaalsContact O-CE2 3.24Å; H94-F96 WeakPolarHBondContact O-CE2 3.36Å; H94-F96 PolarHBondContact O-N 2.96Å; F96-K98 PolarHBondContact O-N 3.47Å; F96-K100 HydrophobicContact CD1-CB 4.34Å; F96-K100 HydrophobicContact CD1-CG 3.82Å; F96-K100 HydrophobicContact CE1-CG 4.38Å; F96-K100 HydrophobicContact CG-CB 4.48Å; F96-K100 HydrophobicContact CG-CG 4.27Å; F96-I109 HydrophobicContact CD2-CB 4.4Å; F96-I109 HydrophobicContact CD2-CD1 4.4Å; F96-I109 HydrophobicContact CD2-CG2 3.8Å; F96-I109 HydrophobicContact CE2-CD1 3.89Å; F96-I109 HydrophobicContact CE2-CG2 3.95Å; F96-I109 HydrophobicContact CZ-CD1 4.31Å; F96-K114 WeakPolarHBondContact CD2-O 3.39Å; F96-K114 PolarHBondContact N-O 2.9Å; F96-K114 WeakPolarHBondContact O-CB 3.48Å; F96-K114 VanDerWaalsContact O-CD 3.25Å; F96-K114 WeakPolarHBondContact O-CD 3.4Å; F96-N125 HydrophobicContact CE1-CB 4.09Å; F96-N125 VanDerWaalsContact CE1-OD1 3.26Å; F96-N125 WeakPolarHBondContact CE1-OD1 3.5Å; F96-N125 HydrophobicContact CZ-CB 3.87Å
97K80.4Confident83.9Confident182 Ų18288.8 Ų88.879%0.79143%0.431SS*.SBendtrans-55.1-36.6175.9-63.8-170.9179.1-172.60113.5F95F95-K97 HydrophobicContact CD1-CG 4.34Å; F95-K97 HydrophobicContact CE1-CG 4.41Å; F95-K97 PolarHBondContact O-N 3.27Å
98K78.6Confident84.4Confident162 Ų16286.9 Ų86.970%0.70443%0.425SS*.SBendtrans-112.4144.9174.1-65-172.9177.8-172.70109.4F96 K100F96-K98 PolarHBondContact O-N 3.47Å; K98-K100 PolarHBondContact O-N 3.11Å
99P80.3Confident84.6Confident83 Ų8383.7 Ų83.754%0.53940%0.404SS..  trans-55.6137.8177.223.3-33.3000111.2M108P99-M108 HydrophobicContact CB-CG 4.05Å; P99-M108 HydrophobicContact CB-SD 3.52Å; P99-M108 VanDerWaalsContact CB-SD 3.52Å
100K83.6Confident84.2Confident95 Ų9587.4 Ų87.441%0.41343%0.428SS..  trans-128.1149.9174.9-68.8-60.3-178.6-176.60108.8F96 K98 I109F96-K100 HydrophobicContact CD1-CB 4.34Å; F96-K100 HydrophobicContact CD1-CG 3.82Å; F96-K100 HydrophobicContact CE1-CG 4.38Å; F96-K100 HydrophobicContact CG-CB 4.48Å; F96-K100 HydrophobicContact CG-CG 4.27Å; K98-K100 PolarHBondContact O-N 3.11Å; K100-I109 HydrophobicContact CB-CD1 4.4Å; K100-I109 WeakPolarHBondContact O-CB 3.4Å; K100-I109 PolarHBondContact O-N 3Å
101F85.6Confident82.9Confident122 Ų12286.6 Ų86.654%0.53543%0.429SS..BIsolated β-bridgetrans-90.1147.7170.3-64.6-86.7000109.1A106 R107 M108F101-A106 WeakPolarHBondContact CD1-O 3.45Å; F101-R107 CarbonylContact C-O 3.5Å; F101-R107 WeakPolarHBondContact CA-O 3.36Å; F101-M108 HydrophobicContact CD1-CB 4.13Å; F101-M108 HydrophobicContact CD1-CG 4.43Å; F101-M108 HydrophobicContact CE1-CB 4Å; F101-M108 HydrophobicContact CE1-CE 4.01Å; F101-M108 HydrophobicContact CE1-CG 4.22Å; F101-M108 HydrophobicContact CZ-CE 3.8Å
102C87.2Confident81.3Confident2 Ų292.1 Ų92.11%0.01446%0.461CS..  trans-76.3129171.7167.30000109.5V104 A106 R107 I109 N125 H127C102-V104 PolarHBondContact O-N 3.42Å; C102-V104 VanDerWaalsContact O-N 3.14Å; C102-V104 PolarHBondContact SG-N 2.92Å; C102-A106 VanDerWaalsContact O-CA 3.24Å; C102-A106 WeakPolarHBondContact O-CA 3.12Å; C102-A106 PolarHBondContact O-N 3.3Å; C102-R107 PolarHBondContact N-O 3.45Å; C102-I109 HydrophobicContact CB-CD1 4.32Å; C102-I109 HydrophobicContact CB-CG1 4.05Å; C102-N125 WeakPolarHBondContact CA-O 3.41Å; C102-H127 VanDerWaalsContact CB-CE1 3.42Å; C102-H127 WeakPolarHBondContact CB-CE1 3.37Å; C102-H127 WeakPolarHBondContact CB-ND1 3.31Å
103D84.6Confident80.1Confident68 Ų6892.2 Ų92.236%0.36447%0.467SS..THydrogen-bonded Turntrans-69.7-5.1-179.1-64.9-56.6000113.8T124 N125D103-T124 HydrophobicContact CB-CG2 3.61Å; D103-T124 VanDerWaalsContact OD2-CA 3.24Å; D103-T124 WeakPolarHBondContact OD2-CA 3.38Å; D103-T124 WeakPolarHBondContact OD2-CG2 3.43Å; D103-N125 PolarHBondContact N-O 2.9Å; D103-N125 PolarHBondContact OD2-N 3.23Å
104V84.4Confident79.2Confident62 Ų6292.2 Ų92.238%0.37646%0.463SS..THydrogen-bonded Turntrans-101.4-60.8178.6-179.50000111.5C102 I126 C130 Y133 V134C102-V104 PolarHBondContact O-N 3.42Å; C102-V104 VanDerWaalsContact O-N 3.14Å; C102-V104 PolarHBondContact SG-N 2.92Å; V104-I126 HydrophobicContact CG2-CB 4.5Å; V104-I126 HydrophobicContact CG2-CG2 3.69Å; V104-C130 HydrophobicContact CB-CB 4.15Å; V104-C130 HydrophobicContact CG1-CB 4.42Å; V104-C130 HydrophobicContact CG2-CB 4.29Å; V104-Y133 HydrophobicContact CG1-CG 4.4Å; V104-V134 HydrophobicContact CG2-CG2 3.21Å
105C84.1Confident79Confident43 Ų4392.6 Ų92.629%0.29146%0.463SS..THydrogen-bonded Turntrans-92.4-2.3-174.572.20000113.8R107 H127C105-R107 PolarHBondContact O-N 3.25Å; C105-H127 PolarHBondContact SG-CE1 3Å; C105-H127 PolarHBondContact SG-ND1 3.45Å; C105-H127 VanDerWaalsContact SG-ND1 3.36Å
106A84.3Confident79.1Confident78 Ų7887 Ų8765%0.64544%0.439SS*.  trans57.34.3-174.600000116F101 C102F101-A106 WeakPolarHBondContact CD1-O 3.45Å; C102-A106 VanDerWaalsContact O-CA 3.24Å; C102-A106 WeakPolarHBondContact O-CA 3.12Å; C102-A106 PolarHBondContact O-N 3.3Å
107R82.8Confident79.5Confident179 Ų17987.2 Ų87.268%0.67544%0.44SS*.  trans-83.3159.3176.4-58.3178.5-169.31504.4111.3F101 C102 C105F101-R107 CarbonylContact C-O 3.5Å; F101-R107 WeakPolarHBondContact CA-O 3.36Å; C102-R107 PolarHBondContact N-O 3.45Å; C105-R107 PolarHBondContact O-N 3.25Å
108M86.1Confident79.9Confident78 Ų7882.2 Ų82.238%0.38442%0.416SS..BIsolated β-bridgetrans-70.5140.6177.8-152.6-176.9-65.100111.3P99 F101 V110 H127P99-M108 HydrophobicContact CB-CG 4.05Å; P99-M108 HydrophobicContact CB-SD 3.52Å; P99-M108 VanDerWaalsContact CB-SD 3.52Å; F101-M108 HydrophobicContact CD1-CB 4.13Å; F101-M108 HydrophobicContact CD1-CG 4.43Å; F101-M108 HydrophobicContact CE1-CB 4Å; F101-M108 HydrophobicContact CE1-CE 4.01Å; F101-M108 HydrophobicContact CE1-CG 4.22Å; F101-M108 HydrophobicContact CZ-CE 3.8Å; M108-V110 HydrophobicContact CB-CG1 3.88Å; M108-V110 HydrophobicContact CG-CG1 3.66Å; M108-V110 PolarHBondContact O-N 2.97Å; M108-V110 HydrophobicContact SD-CG1 3.55Å; M108-V110 VanDerWaalsContact SD-CG1 3.55Å; M108-H127 PolarHBondContact O-NE2 3.06Å
109I84.7Confident80.4Confident2 Ų274.5 Ų74.51%0.0138%0.383CS..  trans-82.890.1173-55.6174.7000107.3F96 K100 C102 F115 N125F96-I109 HydrophobicContact CD2-CB 4.4Å; F96-I109 HydrophobicContact CD2-CD1 4.4Å; F96-I109 HydrophobicContact CD2-CG2 3.8Å; F96-I109 HydrophobicContact CE2-CD1 3.89Å; F96-I109 HydrophobicContact CE2-CG2 3.95Å; F96-I109 HydrophobicContact CZ-CD1 4.31Å; K100-I109 HydrophobicContact CB-CD1 4.4Å; K100-I109 WeakPolarHBondContact O-CB 3.4Å; K100-I109 PolarHBondContact O-N 3Å; C102-I109 HydrophobicContact CB-CD1 4.32Å; C102-I109 HydrophobicContact CB-CG1 4.05Å; I109-F115 WeakPolarHBondContact CG2-O 3.42Å; I109-N125 HydrophobicContact CD1-CB 4.08Å
110V74.9Confident80.7Confident97 Ų9777.4 Ų77.459%0.58839%0.387SS*.  trans-128.25.8-175.5-66.20000113.5M108M108-V110 HydrophobicContact CB-CG1 3.88Å; M108-V110 HydrophobicContact CG-CG1 3.66Å; M108-V110 PolarHBondContact O-N 2.97Å; M108-V110 HydrophobicContact SD-CG1 3.55Å; M108-V110 VanDerWaalsContact SD-CG1 3.55Å
111L59Low80.7Confident118 Ų11876.1 Ų76.162%0.61839%0.385SS*.SBendtrans-56.5151.3177.7-138.274.9000110.8N113 K114L111-N113 CarbonylContact O-C 3.59Å; L111-N113 PolarHBondContact O-N 3.5Å; L111-N113 VanDerWaalsContact O-N 3.08Å; L111-K114 PolarHBondContact O-N 3.44Å
112N56.9Low80.6Confident152 Ų15271 Ų7181%0.81336%0.364SS*.THydrogen-bonded Turntrans-35.2113.4-172.1-76.8-6.9000112.3
113N63.7Low80.5Confident132 Ų13278 Ų7871%0.70639%0.394SS*.THydrogen-bonded Turntrans77.427.6-174.4-51.8-38.3000118F95 L111 F115F95-N113 WeakPolarHBondContact CD2-O 3.23Å; F95-N113 HydrophobicContact CE2-CB 4.41Å; F95-N113 WeakPolarHBondContact CE2-O 3.36Å; L111-N113 CarbonylContact O-C 3.59Å; L111-N113 PolarHBondContact O-N 3.5Å; L111-N113 VanDerWaalsContact O-N 3.08Å; N113-F115 PolarHBondContact O-N 3.12Å
114K70.3Confident80.5Confident100 Ų10075.2 Ų75.244%0.43538%0.379SS..THydrogen-bonded Turntrans51.833.4174.3-54.2180-175.8172.70112.6F96 L111F96-K114 WeakPolarHBondContact CD2-O 3.39Å; F96-K114 PolarHBondContact N-O 2.9Å; F96-K114 WeakPolarHBondContact O-CB 3.48Å; F96-K114 VanDerWaalsContact O-CD 3.25Å; F96-K114 WeakPolarHBondContact O-CD 3.4Å; L111-K114 PolarHBondContact O-N 3.44Å
115F80.9Confident80.7Confident70 Ų7073.3 Ų73.331%0.30737%0.367SS..  trans-89.6150.1-173.1-174.4-97000110.7D93 I109 N113D93-F115 HydrophobicContact CB-CE2 3.71Å; D93-F115 HydrophobicContact CB-CZ 3.65Å; I109-F115 WeakPolarHBondContact CG2-O 3.42Å; N113-F115 PolarHBondContact O-N 3.12Å
116G87.7Confident81Confident0 Ų071.3 Ų71.30%035%0.353CS..  trans171.8179.2174.500000111.1H94H94-G116 PolarHBondContact N-O 3.01Å
117L89.3Confident81.2Confident7 Ų768.9 Ų68.94%0.03733%0.329CS..EExtended strand (participates in β ladder)trans-98.4140.4-170.2-62.1168.4000111F91 D93 N125 I126 Q131F91-L117 HydrophobicContact CB-CB 4.22Å; F91-L117 HydrophobicContact CB-CD2 4.42Å; F91-L117 HydrophobicContact CD1-CB 3.91Å; F91-L117 HydrophobicContact CG-CB 4.27Å; D93-L117 WeakPolarHBondContact OD1-CD2 3.46Å; L117-N125 CarbonylContact O-C 3.59Å; L117-N125 WeakPolarHBondContact O-CA 3.27Å; L117-I126 HydrophobicContact CB-CG1 3.82Å; L117-I126 HydrophobicContact CD1-CD1 4.34Å; L117-I126 HydrophobicContact CD1-CG1 4.32Å; L117-I126 PolarHBondContact N-O 3.5Å; L117-I126 PolarHBondContact O-N 2.59Å; L117-Q131 HydrophobicContact CD1-CB 3.84Å; L117-Q131 HydrophobicContact CD1-CG 4.26Å
118R88.6Confident81.4Confident76 Ų7665.9 Ų65.929%0.28732%0.322SS..EExtended strand (participates in β ladder)trans-121.8130.5168.2177.5177.8-74.2156.34.8110.8K92 H94 K120 T124 N125K92-R118 PolarHBondContact N-O 2.71Å; K92-R118 PolarHBondContact O-N 2.77Å; H94-R118 HydrophobicContact CB-CB 3.88Å; H94-R118 PolarHBondContact CD2-NH1 3.4Å; H94-R118 PolarHBondContact CE1-NH1 3.36Å; H94-R118 PolarHBondContact NE2-NH1 3.47Å; R118-K120 PolarHBondContact O-N 2.92Å; R118-T124 WeakPolarHBondContact CA-O 3.34Å; R118-N125 PolarHBondContact NE-OD1 3.27Å; R118-N125 PolarHBondContact NH2-OD1 3.04Å
119C88.6Confident81.4Confident0 Ų068.1 Ų68.10%033%0.332CS..EExtended strand (participates in β ladder)trans-72.6126.3172-173.70000111H89 K90 F91 N121 C122 K123 T124H89-C119 PolarHBondContact ND1-SG 3.12Å; K90-C119 WeakPolarHBondContact O-CA 3.25Å; F91-C119 HydrophobicContact CD1-CB 3.89Å; F91-C119 HydrophobicContact CE1-CB 3.71Å; F91-C119 HydrophobicContact CZ-CB 4.38Å; C119-N121 PolarHBondContact O-N 2.87Å; C119-C122 WeakPolarHBondContact CB-SG 3.49Å; C119-K123 VanDerWaalsContact O-CA 3.26Å; C119-K123 WeakPolarHBondContact O-CA 3.33Å; C119-K123 PolarHBondContact O-N 2.7Å; C119-T124 PolarHBondContact N-O 2.78Å
120K86.9Confident81.5Confident144 Ų14468.5 Ų68.563%0.62634%0.335SS*.THydrogen-bonded Turntrans-60.2-33.4177.3-66.2-179.8-176.2172.60112.7K90 R118K90-K120 PolarHBondContact O-N 3.02Å; R118-K120 PolarHBondContact O-N 2.92Å
121N83.8Confident82.1Confident69 Ų6967.4 Ų67.437%0.36932%0.323SS..THydrogen-bonded Turntrans-83.3-51-172.3-65.8-11.3000112.4C119 C139 G141 K142C119-N121 PolarHBondContact O-N 2.87Å; N121-C139 VanDerWaalsContact CB-SG 3.53Å; N121-G141 CarbonylContact O-C 3.53Å; N121-G141 WeakPolarHBondContact O-CA 3.15Å; N121-K142 PolarHBondContact O-N 3.38Å
122C83.4Confident83.2Confident14 Ų1465 Ų6510%0.09532%0.316CS..THydrogen-bonded Turntrans-108.4-2.8-173.862.40000115.5H89 C119 T124 G141H89-C122 PolarHBondContact CE1-SG 3.02Å; H89-C122 PolarHBondContact ND1-SG 3.31Å; C119-C122 WeakPolarHBondContact CB-SG 3.49Å; C122-T124 PolarHBondContact O-N 3.05Å; C122-T124 PolarHBondContact SG-OG1 3.13Å; C122-G141 WeakPolarHBondContact CA-O 3.47Å; C122-G141 WeakPolarHBondContact CB-O 3.3Å
123K84.9Confident84.3Confident149 Ų14964.6 Ų64.665%0.64830%0.304SS*.  trans60.29.3-179.7-55.2-178.7178.5179.70115.9C119 N125C119-K123 VanDerWaalsContact O-CA 3.26Å; C119-K123 WeakPolarHBondContact O-CA 3.33Å; C119-K123 PolarHBondContact O-N 2.7Å; K123-N125 PolarHBondContact O-ND2 2.84Å
124T85.6Confident84.9Confident10 Ų1058.7 Ų58.76%0.06127%0.273CS..  trans-51.7138.4165.6-57.30000110.1D103 R118 C119 C122 I126D103-T124 HydrophobicContact CB-CG2 3.61Å; D103-T124 VanDerWaalsContact OD2-CA 3.24Å; D103-T124 WeakPolarHBondContact OD2-CA 3.38Å; D103-T124 WeakPolarHBondContact OD2-CG2 3.43Å; R118-T124 WeakPolarHBondContact CA-O 3.34Å; C119-T124 PolarHBondContact N-O 2.78Å; C122-T124 PolarHBondContact O-N 3.05Å; C122-T124 PolarHBondContact SG-OG1 3.13Å; T124-I126 HydrophobicContact CG2-CG2 4.05Å
125N87.9Confident85.2Confident22 Ų2259.6 Ų59.612%0.11828%0.279CS..EExtended strand (participates in β ladder)trans-121.1128.1-175.9-44.7-97000108F96 C102 D103 I109 L117 R118 K123F96-N125 HydrophobicContact CE1-CB 4.09Å; F96-N125 VanDerWaalsContact CE1-OD1 3.26Å; F96-N125 WeakPolarHBondContact CE1-OD1 3.5Å; F96-N125 HydrophobicContact CZ-CB 3.87Å; C102-N125 WeakPolarHBondContact CA-O 3.41Å; D103-N125 PolarHBondContact N-O 2.9Å; D103-N125 PolarHBondContact OD2-N 3.23Å; I109-N125 HydrophobicContact CD1-CB 4.08Å; L117-N125 CarbonylContact O-C 3.59Å; L117-N125 WeakPolarHBondContact O-CA 3.27Å; R118-N125 PolarHBondContact NE-OD1 3.27Å; R118-N125 PolarHBondContact NH2-OD1 3.04Å; K123-N125 PolarHBondContact O-ND2 2.84Å
126I89.9Confident84.6Confident0 Ų063.9 Ų63.90%030%0.302CS..EExtended strand (participates in β ladder)trans-139.9160.9-176.264.9173.6000111.5F91 V104 L117 T124 C130 Q131 V134F91-I126 HydrophobicContact CD1-CD1 4.07Å; F91-I126 HydrophobicContact CD1-CG1 4.23Å; F91-I126 HydrophobicContact CD2-CD1 4.4Å; F91-I126 HydrophobicContact CE1-CD1 3.49Å; F91-I126 VanDerWaalsContact CE1-CD1 3.49Å; F91-I126 HydrophobicContact CE1-CG1 3.78Å; F91-I126 HydrophobicContact CE2-CD1 3.83Å; F91-I126 HydrophobicContact CZ-CD1 3.36Å; F91-I126 HydrophobicContact CZ-CG1 4.17Å; V104-I126 HydrophobicContact CG2-CB 4.5Å; V104-I126 HydrophobicContact CG2-CG2 3.69Å; L117-I126 HydrophobicContact CB-CG1 3.82Å; L117-I126 HydrophobicContact CD1-CD1 4.34Å; L117-I126 HydrophobicContact CD1-CG1 4.32Å; L117-I126 PolarHBondContact N-O 3.5Å; L117-I126 PolarHBondContact O-N 2.59Å; T124-I126 HydrophobicContact CG2-CG2 4.05Å; I126-C130 HydrophobicContact CB-CB 4.07Å; I126-Q131 HydrophobicContact CD1-CB 4.32Å; I126-V134 HydrophobicContact CD1-CG2 4.27Å
127H89.2Confident84Confident27 Ų2769.1 Ų69.113%0.12533%0.326CS..  trans-68.9159.8163.7-56.595.8000110.4C102 C105 M108 C130C102-H127 VanDerWaalsContact CB-CE1 3.42Å; C102-H127 WeakPolarHBondContact CB-CE1 3.37Å; C102-H127 WeakPolarHBondContact CB-ND1 3.31Å; C105-H127 PolarHBondContact SG-CE1 3Å; C105-H127 PolarHBondContact SG-ND1 3.45Å; C105-H127 VanDerWaalsContact SG-ND1 3.36Å; M108-H127 PolarHBondContact O-NE2 3.06Å; H127-C130 HydrophobicContact CB-CB 4.17Å; H127-C130 WeakPolarHBondContact O-CA 3.42Å; H127-C130 WeakPolarHBondContact O-CB 3.26Å; H127-C130 PolarHBondContact O-N 2.79Å
128E86.9Confident83.5Confident117 Ų11774 Ų7455%0.54734%0.344SS..G310 helixtrans-58.4-54.6176.1-170171171.800112.2C130 Q131E128-C130 PolarHBondContact O-N 3.5Å; E128-Q131 VanDerWaalsContact O-CB 3.25Å; E128-Q131 WeakPolarHBondContact O-CB 3.44Å; E128-Q131 PolarHBondContact O-N 2.8Å
129H86Confident83.3Confident124 Ų12470.8 Ų70.857%0.57433%0.333SS*.G310 helixtrans-59.4-15.1172.3-175.895.3000113.9Q131H129-Q131 VanDerWaalsContact C-N 3.34Å
130C87.4Confident82.6Confident11 Ų1175.6 Ų75.67%0.07435%0.354CS..G310 helixtrans-85.5-0.9174-710000113.6V104 I126 H127 E128V104-C130 HydrophobicContact CB-CB 4.15Å; V104-C130 HydrophobicContact CG1-CB 4.42Å; V104-C130 HydrophobicContact CG2-CB 4.29Å; I126-C130 HydrophobicContact CB-CB 4.07Å; H127-C130 HydrophobicContact CB-CB 4.17Å; H127-C130 WeakPolarHBondContact O-CA 3.42Å; H127-C130 WeakPolarHBondContact O-CB 3.26Å; H127-C130 PolarHBondContact O-N 2.79Å; E128-C130 PolarHBondContact O-N 3.5Å
131Q86.6Confident82.4Confident74 Ų7469.6 Ų69.635%0.34633%0.333SS..SBendtrans-64.3-48-178.1-178.6173.2-48.800113F91 L117 I126 E128 H129 Y133 V134 E135F91-Q131 HydrophobicContact CD2-CG 4.21Å; L117-Q131 HydrophobicContact CD1-CB 3.84Å; L117-Q131 HydrophobicContact CD1-CG 4.26Å; I126-Q131 HydrophobicContact CD1-CB 4.32Å; E128-Q131 VanDerWaalsContact O-CB 3.25Å; E128-Q131 WeakPolarHBondContact O-CB 3.44Å; E128-Q131 PolarHBondContact O-N 2.8Å; H129-Q131 VanDerWaalsContact C-N 3.34Å; Q131-Y133 VanDerWaalsContact C-N 3.27Å; Q131-Y133 PolarHBondContact O-N 2.87Å; Q131-V134 PolarHBondContact O-N 3.39Å; Q131-E135 PolarHBondContact O-N 2.9Å
132S82.1Confident81.9Confident68 Ų6875.5 Ų75.548%0.47636%0.355SS..Hα-helixtrans-54.7-41.1-177.951.80000112.7V134 E135S132-V134 PolarHBondContact O-N 2.77Å; S132-V134 VanDerWaalsContact O-N 3.16Å; S132-E135 PolarHBondContact O-N 2.96Å
133Y81Confident81Confident143 Ų14377.4 Ų77.456%0.56136%0.364SS*.Hα-helixtrans-63.2-18.3176.2-60.8-89.6000114.5V104 Q131V104-Y133 HydrophobicContact CG1-CG 4.4Å; Q131-Y133 VanDerWaalsContact C-N 3.27Å; Q131-Y133 PolarHBondContact O-N 2.87Å
134V76.7Confident80Confident8 Ų874.7 Ų74.75%0.04836%0.362CS..Hα-helixtrans-111.6-12.2-177.5-168.30000112.3H89 F91 V104 I126 Q131 S132 M136 Q137H89-V134 HydrophobicContact CB-CG1 4.5Å; F91-V134 HydrophobicContact CE2-CB 4.19Å; F91-V134 HydrophobicContact CE2-CG1 4.1Å; F91-V134 HydrophobicContact CZ-CB 4.13Å; F91-V134 HydrophobicContact CZ-CG1 3.79Å; V104-V134 HydrophobicContact CG2-CG2 3.21Å; I126-V134 HydrophobicContact CD1-CG2 4.27Å; Q131-V134 PolarHBondContact O-N 3.39Å; S132-V134 PolarHBondContact O-N 2.77Å; S132-V134 VanDerWaalsContact O-N 3.16Å; V134-M136 VanDerWaalsContact C-N 3.3Å; V134-M136 PolarHBondContact O-N 2.87Å; V134-Q137 HydrophobicContact CG1-CB 4.17Å; V134-Q137 WeakPolarHBondContact O-CB 3.21Å; V134-Q137 PolarHBondContact O-N 2.87Å
135E75.1Confident78.3Confident118 Ų11880.9 Ų80.955%0.55140%0.402SS*.Hα-helixtrans-59.4-41178-173.9153.2-139.700112.3N85 Q131 S132 Q137N85-E135 PolarHBondContact ND2-O 3.47Å; Q131-E135 PolarHBondContact O-N 2.9Å; S132-E135 PolarHBondContact O-N 2.96Å; E135-Q137 VanDerWaalsContact C-N 3.29Å; E135-Q137 PolarHBondContact O-N 2.79Å
136M68.4Low77Confident161 Ų16183.7 Ų83.779%0.79344%0.436SS*.THydrogen-bonded Turntrans-80.9-2.4175.1-58.7176.5-177.700113.7V134V134-M136 VanDerWaalsContact C-N 3.3Å; V134-M136 PolarHBondContact O-N 2.87Å
137Q76.3Confident75.5Confident110 Ų11090.8 Ų90.851%0.51447%0.467SS..SBendtrans-96.1133.1-176.8-64-66-35.600111.7N85 H89 V134 E135 C139N85-Q137 VanDerWaalsContact ND2-C 3.25Å; N85-Q137 PolarHBondContact ND2-O 3.35Å; H89-Q137 PolarHBondContact CD2-O 3.01Å; V134-Q137 HydrophobicContact CG1-CB 4.17Å; V134-Q137 WeakPolarHBondContact O-CB 3.21Å; V134-Q137 PolarHBondContact O-N 2.87Å; E135-Q137 VanDerWaalsContact C-N 3.29Å; E135-Q137 PolarHBondContact O-N 2.79Å; Q137-C139 PolarHBondContact O-N 3.02Å
138R78.9Confident74Confident109 Ų109100.5 Ų100.541%0.41150%0.503SS..PPolyproline II helixtrans-65.3128.3-179.2-168.8-177.7-178.3100.8-12.3111.5N85 D86 K87 F140N85-R138 WeakPolarHBondContact OD1-CA 3.35Å; D86-R138 IonicContact OD2-CZ 3.94Å; D86-R138 IonicContact OD2-NH1 2.7Å; D86-R138 PolarHBondContact OD2-NH1 3.14Å; K87-R138 HydrophobicContact CB-CG 4.21Å; R138-F140 HydrophobicContact CB-CE2 4.24Å; R138-F140 WeakPolarHBondContact O-CD2 2.87Å; R138-F140 WeakPolarHBondContact O-CE2 3.48Å; R138-F140 PolarHBondContact O-N 2.93Å
139C83.2Confident72.6Confident8 Ų898.9 Ų98.95%0.05449%0.492CS..PPolyproline II helixtrans-80.1118.1173.8-171.40000111.5K87 H89 N121 Q137K87-C139 WeakPolarHBondContact O-CB 3.41Å; K87-C139 PolarHBondContact O-N 2.98Å; H89-C139 HydrophobicContact CB-CB 4.46Å; H89-C139 WeakPolarHBondContact NE2-CA 3.48Å; N121-C139 VanDerWaalsContact CB-SG 3.53Å; Q137-C139 PolarHBondContact O-N 3.02Å
140F75.4Confident70.6Confident102 Ų10296.1 Ų96.145%0.44749%0.491SS..  trans-914.1-177.4-66.2-104.7000114.6R138 R149 L155R138-F140 HydrophobicContact CB-CE2 4.24Å; R138-F140 WeakPolarHBondContact O-CD2 2.87Å; R138-F140 WeakPolarHBondContact O-CE2 3.48Å; R138-F140 PolarHBondContact O-N 2.93Å; F140-R149 VanDerWaalsContact CB-NH2 3.27Å; F140-R149 VanDerWaalsContact CD2-CZ 3.47Å; F140-L155 HydrophobicContact CE1-CD1 4.42Å; F140-L155 HydrophobicContact CZ-CD1 4.06Å
141G81.3Confident69.1Low18 Ų18102.1 Ų102.119%0.18651%0.513CS..  trans66.7-153.4178.100000114.6N121 C122 I143N121-G141 CarbonylContact O-C 3.53Å; N121-G141 WeakPolarHBondContact O-CA 3.15Å; C122-G141 WeakPolarHBondContact CA-O 3.47Å; C122-G141 WeakPolarHBondContact CB-O 3.3Å; G141-I143 PolarHBondContact O-N 2.95Å
142K73.5Confident66.9Low192 Ų192103.5 Ų103.584%0.83553%0.53SS*.SBendtrans-65.8103.1-176.5-67.5176.3-174.6173.30110.3N121N121-K142 PolarHBondContact O-N 3.38Å
143I65.1Low64.8Low55 Ų55104.5 Ų104.528%0.28254%0.537SS..PPolyproline II helixtrans-70.7134.6175.2-50.3167.1000109.1G141 F147 R149G141-I143 PolarHBondContact O-N 2.95Å; I143-F147 HydrophobicContact CG2-CB 3.84Å; I143-F147 HydrophobicContact CG2-CD1 4.17Å; I143-F147 HydrophobicContact CG2-CG 4.49Å; I143-F147 WeakPolarHBondContact CG2-O 3.43Å; I143-R149 HydrophobicContact CD1-CG 4.08Å
144P63.6Low62.9Low92 Ų92103.3 Ų103.360%0.59755%0.548SS*.PPolyproline II helixtrans-56.4143.6176.7-26.835.5000112.8G146 F147P144-G146 PolarHBondContact O-N 3.06Å; P144-F147 PolarHBondContact O-N 3.29Å; P144-F147 VanDerWaalsContact O-N 3.17Å
145P50.8Low61.2Low139 Ų139109.7 Ų109.790%0.90358%0.58SS**THydrogen-bonded Turntrans-60.8122.5178.726.1-33.6000110.4
146G58.8Low59.1Low81 Ų81114.5 Ų114.584%0.83560%0.595SS**THydrogen-bonded Turntrans116.6-33.1-175.800000113.4P144 R148P144-G146 PolarHBondContact O-N 3.06Å; G146-R148 PolarHBondContact O-N 3.08Å
147F58.5Low57.6Low150 Ų150111.6 Ų111.666%0.65859%0.591SS**  trans-86.275.3-177.9-153.8-95.6000111.4I143 P144I143-F147 HydrophobicContact CG2-CB 3.84Å; I143-F147 HydrophobicContact CG2-CD1 4.17Å; I143-F147 HydrophobicContact CG2-CG 4.49Å; I143-F147 WeakPolarHBondContact CG2-O 3.43Å; P144-F147 PolarHBondContact O-N 3.29Å; P144-F147 VanDerWaalsContact O-N 3.17Å
148R58.6Low55.6Low231 Ų231111.3 Ų111.387%0.87259%0.593SS**  trans-71.5130.2170.4-73.1-127.8-73.5-942.6109.6G146 A150G146-R148 PolarHBondContact O-N 3.08Å; R148-A150 PolarHBondContact O-N 3.29Å
149R56.8Low53.8Low82 Ų82114.8 Ų114.831%0.30961%0.614SS.*  trans-69.498.9173.9-72.6176.2174.1-121.1-26.5110.2F140 I143 Y151F140-R149 VanDerWaalsContact CB-NH2 3.27Å; F140-R149 VanDerWaalsContact CD2-CZ 3.47Å; I143-R149 HydrophobicContact CD1-CG 4.08Å; R149-Y151 HydrophobicContact CB-CD2 3.93Å; R149-Y151 HydrophobicContact CB-CE2 3.69Å; R149-Y151 HydrophobicContact CG-CE2 4.48Å; R149-Y151 PolarHBondContact O-N 2.76Å
150A44.6Very low51.9Low67 Ų67122 Ų12255%0.55465%0.646SS**  trans-74.4111.2152.400000107.1R148 S152R148-A150 PolarHBondContact O-N 3.29Å; A150-S152 PolarHBondContact O-N 2.95Å
151Y55.2Low50.3Low136 Ų136126.6 Ų126.653%0.53366%0.662SS.*THydrogen-bonded Turntrans-73.318.6179.5-85.3-93.5000113.5R149R149-Y151 HydrophobicContact CB-CD2 3.93Å; R149-Y151 HydrophobicContact CB-CE2 3.69Å; R149-Y151 HydrophobicContact CG-CE2 4.48Å; R149-Y151 PolarHBondContact O-N 2.76Å
152S40.3Very low48.2Very low103 Ų103131 Ų13172%0.7270%0.697SS**THydrogen-bonded Turntrans-105.71.7-178.359.20000114.4A150A150-S152 PolarHBondContact O-N 2.95Å
153S38.2Very low46.7Very low89 Ų89126.8 Ų126.862%0.62269%0.69SS**SBendtrans-112.1120.9177.7-61.50000110.8L155S153-L155 PolarHBondContact O-N 3.36Å
154P42.1Very low45.4Very low119 Ų119130.7 Ų130.777%0.77372%0.717SS**  trans-57.5135.8167.5-20.232.1000109.6Y156P154-Y156 PolarHBondContact O-N 2.92Å
155L39.7Very low44.2Very low141 Ų141135.1 Ų135.174%0.73873%0.727SS**  trans-69.4101.3170.5-69177.9000108.2F140 S153 S157F140-L155 HydrophobicContact CE1-CD1 4.42Å; F140-L155 HydrophobicContact CZ-CD1 4.06Å; S153-L155 PolarHBondContact O-N 3.36Å; L155-S157 PolarHBondContact O-N 2.81Å; L155-S157 VanDerWaalsContact O-N 3.09Å
156Y31.5Very low43.5Very low219 Ų219135.1 Ų135.186%0.85972%0.719SS**  trans-57.7115168.1-143.4-92.7000107.5P154 N158P154-Y156 PolarHBondContact O-N 2.92Å; Y156-N158 PolarHBondContact O-N 2.83Å
157S37.6Very low42.3Very low101 Ų101139.2 Ų139.271%0.70672%0.721SS**  trans-64.5111.6174.5-176.10000107.5L155L155-S157 PolarHBondContact O-N 2.81Å; L155-S157 VanDerWaalsContact O-N 3.09Å
158N35Very low41.2Very low103 Ų103138.2 Ų138.255%0.55173%0.732SS**  trans-110.385.6172.7-160.4-2.3000110.3Y156 Q160Y156-N158 PolarHBondContact O-N 2.83Å; N158-Q160 PolarHBondContact ND2-O 3.31Å; N158-Q160 PolarHBondContact O-N 2.84Å; N158-Q160 VanDerWaalsContact OD1-C 3.28Å; N158-Q160 WeakPolarHBondContact OD1-CA 3.28Å; N158-Q160 WeakPolarHBondContact OD1-CB 3.37Å; N158-Q160 PolarHBondContact OD1-N 2.85Å; N158-Q160 PolarHBondContact OD1-O 2.96Å
159Q39.2Very low40.1Very low183 Ų183131 Ų13186%0.85572%0.723SS**  trans-78.410.9169.6-163.6157.48.100112.3
160Q44.8Very low39.7Very low158 Ų158132.2 Ų132.274%0.73875%0.75SS**  trans-126.378.1176.7-64.9-179.9-2200110.3N158N158-Q160 PolarHBondContact ND2-O 3.31Å; N158-Q160 PolarHBondContact O-N 2.84Å; N158-Q160 VanDerWaalsContact OD1-C 3.28Å; N158-Q160 WeakPolarHBondContact OD1-CA 3.28Å; N158-Q160 WeakPolarHBondContact OD1-CB 3.37Å; N158-Q160 PolarHBondContact OD1-N 2.85Å; N158-Q160 PolarHBondContact OD1-O 2.96Å
161Y40.9Very low39.6Very low199 Ų199135.9 Ų135.978%0.7876%0.76SS**  trans-171.652.3143.5-93.6-59.6000110.4C163Y161-C163 PolarHBondContact O-N 3.09Å
162A37.7Very low39.6Very low111 Ų111140.3 Ų140.392%0.91778%0.776SS**  trans-88.139.1166.900000111.6
163C41.4Very low40.1Very low103 Ų103141.3 Ų141.370%0.69677%0.773SS**  trans-15987.5173.9-171.60000110.5Y161Y161-C163 PolarHBondContact O-N 3.09Å
164V37.8Very low41.7Very low137 Ų137141 Ų14183%0.8376%0.764SS**  trans-173.583.2138.6-93.60000106.9
165K38.4Very low43.1Very low186 Ų186139.9 Ų139.981%0.80976%0.757SS**  trans-94.3151.9154.1-162.4174.3176.8-174.10106.8
166D36.8Very low44.7Very low138 Ų138137.5 Ų137.574%0.73875%0.748SS**  trans74.291.8178.8-49.2-40.8000115.5
167L32.4Very low46.6Very low168 Ų168133 Ų13388%0.8873%0.733SS**  trans-166.990.8130.6-103.1162.6000110A169L167-A169 PolarHBondContact O-N 3.45Å
168S35.8Very low48.2Very low128 Ų128131.3 Ų131.390%0.89571%0.714SS**  trans-84.288.9165.359.30000110
169A36.9Very low50.2Low81 Ų81131.2 Ų131.267%0.66972%0.718SS**  trans-152.6145.1164.100000109.8L167 N171L167-A169 PolarHBondContact O-N 3.45Å; A169-N171 PolarHBondContact O-N 2.98Å
170A47.8Very low52Low106 Ų106127.9 Ų127.988%0.87671%0.705SS**  trans-60127.4-174.800000112.6
171N41.7Very low53.8Low144 Ų144124.6 Ų124.677%0.7769%0.686SS**  trans-145.5141.7153.1-144.9-35.6000112.1A169A169-N171 PolarHBondContact O-N 2.98Å
172R55.1Low55.7Low230 Ų230118.4 Ų118.487%0.86867%0.669SS**  trans-100.429.4-163.2-94.1-142174.8-162.60.6114.2
173N51.5Low57.8Low123 Ų123114.9 Ų114.966%0.65864%0.643SS**  trans-135.971.8-173.4-68.7-61.8000112.7
174D70.9Confident59.5Low83 Ų83114.1 Ų114.144%0.44464%0.635SS.*  trans-85.9118.6158.9167.68.1000108.1V176 F177 E178D174-V176 PolarHBondContact O-N 3.15Å; D174-V176 WeakPolarHBondContact OD1-CB 3.34Å; D174-V176 PolarHBondContact OD1-N 3.09Å; D174-F177 HydrophobicContact CB-CB 3.8Å; D174-F177 PolarHBondContact O-N 3.32Å; D174-F177 VanDerWaalsContact O-N 3.13Å; D174-E178 PolarHBondContact O-N 2.7Å
175P72.1Confident61.4Low95 Ų95112.5 Ų112.562%0.61762%0.621SS**Hα-helixtrans-62.9-27-178.726.1-34.6000113.2T179P175-T179 WeakPolarHBondContact O-CB 3.35Å; P175-T179 PolarHBondContact O-N 2.79Å; P175-T179 PolarHBondContact O-OG1 2.85Å
176V73.9Confident62.9Low91 Ų91109.3 Ų109.355%0.55261%0.61SS**Hα-helixtrans-71.4-45.3174.2-175.60000109.8D174 E178 T179 L180D174-V176 PolarHBondContact O-N 3.15Å; D174-V176 WeakPolarHBondContact OD1-CB 3.34Å; D174-V176 PolarHBondContact OD1-N 3.09Å; V176-E178 VanDerWaalsContact C-N 3.33Å; V176-E178 PolarHBondContact O-N 3.06Å; V176-T179 PolarHBondContact O-N 3.32Å; V176-L180 HydrophobicContact CG1-CD1 4.06Å; V176-L180 WeakPolarHBondContact O-CB 3.41Å; V176-L180 VanDerWaalsContact O-CG 3.27Å; V176-L180 WeakPolarHBondContact O-CG 3.38Å; V176-L180 PolarHBondContact O-N 2.88Å
177F70.6Confident64.4Low126 Ų126104.4 Ų104.455%0.55359%0.588SS**Hα-helixtrans-65.8-33.9176.2-168.1-105.5000112.9D174 R181D174-F177 HydrophobicContact CB-CB 3.8Å; D174-F177 PolarHBondContact O-N 3.32Å; D174-F177 VanDerWaalsContact O-N 3.13Å; F177-R181 VanDerWaalsContact CD1-NH2 3.32Å; F177-R181 WeakPolarHBondContact O-CB 3.45Å; F177-R181 PolarHBondContact O-N 2.71Å
178E70.7Confident66.1Low65 Ų65100.1 Ų100.130%0.30457%0.567SS.*Hα-helixtrans-65.8-49.4172.7-16059.9-136.200111.2D174 V176 L180 R181 V182D174-E178 PolarHBondContact O-N 2.7Å; V176-E178 VanDerWaalsContact C-N 3.33Å; V176-E178 PolarHBondContact O-N 3.06Å; E178-L180 VanDerWaalsContact C-N 3.35Å; E178-L180 PolarHBondContact O-N 2.65Å; E178-R181 PolarHBondContact O-N 3.28Å; E178-R181 VanDerWaalsContact O-N 3.12Å; E178-R181 IonicContact OE1-CZ 2.88Å; E178-R181 IonicContact OE1-NH1 3.06Å; E178-R181 PolarHBondContact OE1-NH1 2.94Å; E178-R181 IonicContact OE1-NH2 3.05Å; E178-R181 IonicContact OE2-CZ 3.56Å; E178-R181 IonicContact OE2-NH1 2.77Å; E178-R181 PolarHBondContact OE2-NH1 2.98Å; E178-R181 IonicContact OE2-NH2 2.71Å; E178-R181 PolarHBondContact OE2-NH2 3.46Å; E178-V182 WeakPolarHBondContact O-CG2 3.27Å; E178-V182 PolarHBondContact O-N 2.84Å
179T78Confident67.7Low101 Ų101101.7 Ų101.762%0.6256%0.557SS**Hα-helixtrans-58.9-44.5177.6-56.50000111.7P175 V176 R181 V182 G183P175-T179 WeakPolarHBondContact O-CB 3.35Å; P175-T179 PolarHBondContact O-N 2.79Å; P175-T179 PolarHBondContact O-OG1 2.85Å; V176-T179 PolarHBondContact O-N 3.32Å; T179-R181 PolarHBondContact O-N 2.94Å; T179-V182 PolarHBondContact O-N 3.06Å; T179-G183 PolarHBondContact O-N 3.12Å
180L77.6Confident68.7Low112 Ų112104.9 Ų104.959%0.58656%0.558SS**Hα-helixtrans-63.2-40.6175.6-72.6169.6000112V176 E178 G183 V184V176-L180 HydrophobicContact CG1-CD1 4.06Å; V176-L180 WeakPolarHBondContact O-CB 3.41Å; V176-L180 VanDerWaalsContact O-CG 3.27Å; V176-L180 WeakPolarHBondContact O-CG 3.38Å; V176-L180 PolarHBondContact O-N 2.88Å; E178-L180 VanDerWaalsContact C-N 3.35Å; E178-L180 PolarHBondContact O-N 2.65Å; L180-G183 PolarHBondContact O-N 2.78Å; L180-V184 WeakPolarHBondContact O-CG2 3.18Å; L180-V184 PolarHBondContact O-N 2.87Å
181R82.3Confident69.2Low90 Ų90108.2 Ų108.234%0.3455%0.548SS..Hα-helixtrans-65.6-44.8177.6-162.4-168.1-45.9128.818.7111.7F177 E178 T179 V184 I185F177-R181 VanDerWaalsContact CD1-NH2 3.32Å; F177-R181 WeakPolarHBondContact O-CB 3.45Å; F177-R181 PolarHBondContact O-N 2.71Å; E178-R181 PolarHBondContact O-N 3.28Å; E178-R181 VanDerWaalsContact O-N 3.12Å; E178-R181 IonicContact OE1-CZ 2.88Å; E178-R181 IonicContact OE1-NH1 3.06Å; E178-R181 PolarHBondContact OE1-NH1 2.94Å; E178-R181 IonicContact OE1-NH2 3.05Å; E178-R181 IonicContact OE2-CZ 3.56Å; E178-R181 IonicContact OE2-NH1 2.77Å; E178-R181 PolarHBondContact OE2-NH1 2.98Å; E178-R181 IonicContact OE2-NH2 2.71Å; E178-R181 PolarHBondContact OE2-NH2 3.46Å; T179-R181 PolarHBondContact O-N 2.94Å; R181-V184 PolarHBondContact O-N 3.13Å; R181-I185 HydrophobicContact CG-CD1 4Å; R181-I185 WeakPolarHBondContact O-CB 3.41Å; R181-I185 VanDerWaalsContact O-CG1 3.25Å; R181-I185 WeakPolarHBondContact O-CG1 3.41Å; R181-I185 PolarHBondContact O-N 3Å
182V80.7Confident69.8Low69 Ų69109.6 Ų109.642%0.41855%0.547SS..Hα-helixtrans-60-45.5176172.30000110.6E178 T179 V184 I185 M186E178-V182 WeakPolarHBondContact O-CG2 3.27Å; E178-V182 PolarHBondContact O-N 2.84Å; T179-V182 PolarHBondContact O-N 3.06Å; V182-V184 PolarHBondContact O-N 2.79Å; V182-I185 PolarHBondContact O-N 3.45Å; V182-M186 HydrophobicContact CG1-SD 4.05Å; V182-M186 WeakPolarHBondContact O-CG 3.49Å; V182-M186 PolarHBondContact O-N 2.96Å
183G80.9Confident69.7Low37 Ų37107.4 Ų107.438%0.38154%0.544SS..Hα-helixtrans-59.7-43.1175.600000113.5T179 L180 M186 A187T179-G183 PolarHBondContact O-N 3.12Å; L180-G183 PolarHBondContact O-N 2.78Å; G183-M186 PolarHBondContact O-N 3.06Å; G183-A187 WeakPolarHBondContact O-CB 3.43Å; G183-A187 PolarHBondContact O-N 3.04Å
184V77.3Confident69.6Low87 Ų87104.9 Ų104.953%0.52755%0.547SS..Hα-helixtrans-66-39175.7169.80000112L180 R181 V182 N188L180-V184 WeakPolarHBondContact O-CG2 3.18Å; L180-V184 PolarHBondContact O-N 2.87Å; R181-V184 PolarHBondContact O-N 3.13Å; V182-V184 PolarHBondContact O-N 2.79Å; V184-N188 WeakPolarHBondContact O-CB 3.39Å; V184-N188 PolarHBondContact O-N 3.32Å; V184-N188 VanDerWaalsContact O-N 3.11Å; V184-N188 PolarHBondContact O-ND2 3.37Å
185I77.3Confident68.5Low103 Ų103109 Ų10953%0.52856%0.564SS.*Hα-helixtrans-65-44.2176-70.6165.4000110.6R181 V182 N188 K189R181-I185 HydrophobicContact CG-CD1 4Å; R181-I185 WeakPolarHBondContact O-CB 3.41Å; R181-I185 VanDerWaalsContact O-CG1 3.25Å; R181-I185 WeakPolarHBondContact O-CG1 3.41Å; R181-I185 PolarHBondContact O-N 3Å; V182-I185 PolarHBondContact O-N 3.45Å; I185-N188 PolarHBondContact O-N 2.83Å; I185-K189 WeakPolarHBondContact O-CB 3.42Å; I185-K189 PolarHBondContact O-N 3.02Å
186M71.6Confident67.2Low118 Ų118107.9 Ų107.958%0.58156%0.562SS**Hα-helixtrans-61.3-51.5176.5-75.4175.75500111.9V182 G183 N188 K189 E190V182-M186 HydrophobicContact CG1-SD 4.05Å; V182-M186 WeakPolarHBondContact O-CG 3.49Å; V182-M186 PolarHBondContact O-N 2.96Å; G183-M186 PolarHBondContact O-N 3.06Å; M186-N188 VanDerWaalsContact C-N 3.28Å; M186-N188 PolarHBondContact O-N 3.02Å; M186-K189 WeakPolarHBondContact O-CB 3.48Å; M186-K189 PolarHBondContact O-N 3.17Å; M186-E190 PolarHBondContact O-N 3.2Å
187A67.5Low66Low35 Ų35110.6 Ų110.629%0.28957%0.574SS.*Hα-helixtrans-61.2-34.1-179.500000113.1G183 R191G183-A187 WeakPolarHBondContact O-CB 3.43Å; G183-A187 PolarHBondContact O-N 3.04Å; A187-R191 WeakPolarHBondContact O-CG 3.44Å; A187-R191 PolarHBondContact O-N 2.95Å
188N67.2Low65Low79 Ų79114.2 Ų114.242%0.42259%0.589SS.*Hα-helixtrans-79.3-26.5175.8-70.8-26000113V184 I185 M186 R191 K192V184-N188 WeakPolarHBondContact O-CB 3.39Å; V184-N188 PolarHBondContact O-N 3.32Å; V184-N188 VanDerWaalsContact O-N 3.11Å; V184-N188 PolarHBondContact O-ND2 3.37Å; I185-N188 PolarHBondContact O-N 2.83Å; M186-N188 VanDerWaalsContact C-N 3.28Å; M186-N188 PolarHBondContact O-N 3.02Å; N188-R191 PolarHBondContact OD1-NH1 3.45Å; N188-R191 VanDerWaalsContact OD1-NH1 3.08Å; N188-K192 PolarHBondContact O-N 3.38Å; N188-K192 VanDerWaalsContact O-N 3.12Å
189K69.9Low63.4Low160 Ų160120.6 Ų120.670%0.69662%0.616SS**Hα-helixtrans-67.8-39.3171.3-174.3175.9178.4179.40111.5I185 M186 K192 K193I185-K189 WeakPolarHBondContact O-CB 3.42Å; I185-K189 PolarHBondContact O-N 3.02Å; M186-K189 WeakPolarHBondContact O-CB 3.48Å; M186-K189 PolarHBondContact O-N 3.17Å; K189-K192 PolarHBondContact O-N 3.02Å; K189-K193 PolarHBondContact O-N 2.84Å; K189-K193 VanDerWaalsContact O-N 3.15Å
190E58.7Low61.5Low149 Ų149122.6 Ų122.670%0.69662%0.623SS**Hα-helixtrans-63-44.8173.2-69-174.1136.700111.8M186 K192 K193M186-E190 PolarHBondContact O-N 3.2Å; E190-K192 VanDerWaalsContact C-N 3.3Å; E190-K192 PolarHBondContact O-N 3.45Å; E190-K193 PolarHBondContact O-N 2.82Å; E190-K193 VanDerWaalsContact O-N 3.1Å
191R58Low59.5Low175 Ų175122.8 Ų122.866%0.6663%0.631SS**Hα-helixtrans-60.5-35175.3-70.9173.8-178.41371.8113.5A187 N188A187-R191 WeakPolarHBondContact O-CG 3.44Å; A187-R191 PolarHBondContact O-N 2.95Å; N188-R191 PolarHBondContact OD1-NH1 3.45Å; N188-R191 VanDerWaalsContact OD1-NH1 3.08Å
192K54.6Low57.2Low174 Ų174126 Ų12676%0.75765%0.654SS**Hα-helixtrans-75.9-21.8175-88.9-164.7170.4-171.50114.4N188 K189 E190 G194N188-K192 PolarHBondContact O-N 3.38Å; N188-K192 VanDerWaalsContact O-N 3.12Å; K189-K192 PolarHBondContact O-N 3.02Å; E190-K192 VanDerWaalsContact C-N 3.3Å; E190-K192 PolarHBondContact O-N 3.45Å; K192-G194 VanDerWaalsContact C-N 3.32Å
193K52.6Low54.8Low184 Ų184127.8 Ų127.880%0.868%0.676SS**Hα-helixtrans-74.3-22.8176.9-160.8178.2179.3-1720112.7K189 E190K189-K193 PolarHBondContact O-N 2.84Å; K189-K193 VanDerWaalsContact O-N 3.15Å; E190-K193 PolarHBondContact O-N 2.82Å; E190-K193 VanDerWaalsContact O-N 3.1Å
194G49.5Very low52.7Low70 Ų70130.4 Ų130.472%0.72269%0.694SS**THydrogen-bonded Turntrans-95.17.9-179.500000116.6K192K192-G194 VanDerWaalsContact C-N 3.32Å
195Q48.5Very low50.4Low170 Ų170134 Ų13479%0.79471%0.707SS**SBendtrans-123.516.9-174.4-153.1173.16000113.7
196A43.2Very low48.3Very low70 Ų70137 Ų13758%0.57972%0.721SS**SBendtrans-86.7-23.1-178.400000114.4
197D50.3Low46.4Very low148 Ų148140 Ų14079%0.79173%0.733SS**SBendtrans-95.910.2-164.5-61.7-64.3000116
198K47.7Very low44.6Very low203 Ų203147.3 Ų147.388%0.88376%0.761SS**  trans-137.376.8174.1-70.2-170.8178.4179.10112.5
199K37.9Very low42.9Very low198 Ų198152.1 Ų152.186%0.86178%0.782SS**  trans-80.2122.6160.1-72.3-177.1177.71790109.5
200N37.3Very low41.5Very low144 Ų144149.7 Ų149.777%0.7778%0.782SS**  trans-78.6125.1165.1-179.130.3000109.3
201P36.8Very low39.9Very low116 Ų116151.1 Ų151.175%0.75379%0.789SS**  trans-103.170.5-174.738.9-32.7000112.9
202L33Very low38.2Very low156 Ų156147.7 Ų147.782%0.81779%0.792SS**  trans-15887.5164.4-161.967.2000112.7
203A31.6Very low36.9Very low108 Ų108144 Ų14489%0.89379%0.794SS**  trans-161.864.3169.600000111.6
204A36.1Very low35.8Very low91 Ų91146.5 Ų146.575%0.75280%0.798SS**  trans-161.999.1162.700000108.8
205M28.9Very low35.2Very low164 Ų164148.6 Ų148.681%0.80880%0.799SS**  trans-178.4141.1144.5-61.3-148.3169.200108.4
206M33.4Very low34.1Very low165 Ų165148 Ų14881%0.81380%0.796SS**  trans60.6111.2160-10.2-174.1-167.500117.1
207E30.7Very low33.2Very low181 Ų181153.2 Ų153.285%0.84681%0.809SS**  83.8128.561-70.7-88.5117.400114.9
208E31.3Very low31.9Very low188 Ų188150 Ų15088%0.87981%0.811SS**  trans69.9139.9166.3-58.3-165.811000123.4
209E30.3Very low31Very low181 Ų181150.1 Ų150.185%0.84681%0.811SS**  trans-89.8-171.2163.3-60.5-159.1109.100109.9
210P41.4Very low31.1Very low108 Ų108145.7 Ų145.770%0.70180%0.802SS**  cis-140.4-179.5-244.2-25.2000117.6
211E23.7Very low30.6Very low179 Ų179146.7 Ų146.784%0.83680%0.803SS**  trans67.7133.7145.3-128.6176.9123.800125.2
212S24.2Very low30.1Very low104 Ų104148.1 Ų148.173%0.72780%0.804SS**  trans108.3142.3133.582.60000122.1
213A26Very low29.8Very low97 Ų97144 Ų14480%0.80280%0.799SS**  trans72133.7151.600000123.4
214R29.5Very low29.6Very low236 Ų236145.7 Ų145.789%0.89179%0.793SS**  trans-88.5179156.7-48.2177.9-173.8176.71.6107.6
215P37Very low29.1Very low114 Ų114147.5 Ų147.574%0.7479%0.79SS**  cis-152.1-174.821.844.7-22.1000118.6
216E24.7Very low29.2Very low157 Ų157143.4 Ų143.473%0.73478%0.782SS**  trans51.7136.5139.1-72.5-77.584.700126.2
217E24.8Very low28.9Very low180 Ų180142.2 Ų142.284%0.84178%0.775SS**  trans52.1141.2144.9-67.9-16413900125
218G24Very low29Very low81 Ų81142.4 Ų142.484%0.83577%0.768SS**  trans162.986.2167.100000116.8
219K28.2Very low29.2Very low204 Ų204138.3 Ų138.389%0.88775%0.752SS**  trans-87.4-176157.5-111.2177.8174.2176.40109.2
220P39.7Very low29.4Very low105 Ų105137.6 Ų137.668%0.68275%0.746SS**  cis-128.2-172.22.323.54.2000112.4
221Q27.2Very low28.9Very low166 Ų166141.4 Ų141.478%0.77675%0.752SS**  172.2164.881.4-84.9172.9-22.200106.3
222D26Very low29.2Very low146 Ų146137.8 Ų137.878%0.78175%0.752SS**  cis-132.5157.45.4-95.5-53.3000108.1
223G26.3Very low29.7Very low68 Ų68141 Ų14170%0.70176%0.756SS**  92.2130.667.400000109.7
224N27.6Very low30.1Very low144 Ų144145.7 Ų145.777%0.7776%0.758SS**  cis-163.814916-155.35.5000112.2
225N26.3Very low30.1Very low129 Ų129143 Ų14369%0.6975%0.753SS**  trans43.6154.6148.2-91.5-61000123.2
226A31Very low29.9Very low79 Ų79143.8 Ų143.865%0.65376%0.755SS**  cis-150143.13.400000109.3
227E28.1Very low30.8Very low139 Ų139141.9 Ų141.965%0.6576%0.756SS**  54.8135.796.6-88.4-157.694.600116.5
228R32.8Very low31.4Very low185 Ų185139.7 Ų139.770%0.69875%0.751SS**  cis-166.2146.46.3-149.8-162.1177.5110.18.5114.6
229D34.6Very low32.1Very low103 Ų103142.5 Ų142.555%0.55175%0.747SS**  trans72.4136136-96.5-11.4000127.7
230K34.4Very low32.9Very low166 Ų166141.5 Ų141.572%0.72274%0.742SS**  trans96.483.4135.7-75.7161.7-172.9154.90123.5
231K30.1Very low33.1Very low188 Ų188144.9 Ų144.982%0.81775%0.748SS**  46.4116.2109.7-168.5-167.5-178.4-168.80120.4
232A30.2Very low33.6Very low102 Ų102146.2 Ų146.284%0.84375%0.752SS**  trans-161.7155133.900000112
233E35.4Very low34.5Very low173 Ų173145.2 Ų145.281%0.80874%0.742SS**  trans-96.5147.3-170-61.115370.900114.7
234K33.8Very low35Very low195 Ų195147 Ų14785%0.84874%0.742SS**  trans-164.7106.2136.3-139.8170.3179.3178.70116.2
235K30.1Very low35.4Very low180 Ų180143.8 Ų143.878%0.78374%0.743SS**  trans35.7118.8141.7-57.2-168.3176.9-170.80123.4
236T33.4Very low36.1Very low129 Ų129145.4 Ų145.479%0.79174%0.744SS**  64.9158.1129.5610000122.1
237P43.3Very low36.6Very low117 Ų117149.6 Ų149.676%0.7675%0.75SS**  cis-134.6-175.3-44.840.1-23.1000113.2
238D36.6Very low37.6Very low134 Ų134150.3 Ų150.372%0.71775%0.753SS**  trans-0.4127.7166.3-111.6-84.2000121.9K240D238-K240 PolarHBondContact OD1-N 3.06Å
239D38.3Very low39Very low141 Ų141144.7 Ų144.775%0.75474%0.742SS**  -148.5100.1115.9-158.5-49.1000110.5H241D239-H241 PolarHBondContact OD1-N 2.75Å
240K46.4Very low41.1Very low183 Ų183141.9 Ų141.980%0.79673%0.726SS**  trans-99.364173-80.7-175.5178.3170.40112D238 K242D238-K240 PolarHBondContact OD1-N 3.06Å; K240-K242 PolarHBondContact O-N 2.85Å
241H42.9Very low43.7Very low175 Ų175137.9 Ų137.981%0.8171%0.707SS**  trans-74.754.3166.5-131.562.5000114.2D239 Q243D239-H241 PolarHBondContact OD1-N 2.75Å; H241-Q243 PolarHBondContact NE2-NE2 3.16Å; H241-Q243 PolarHBondContact O-N 3.27Å
242K38.8Very low46.7Very low195 Ų195130.3 Ų130.385%0.84867%0.674SS**  trans-78.572.4165.3-166.5178.9-175.2178.80109.1K240K240-K242 PolarHBondContact O-N 2.85Å
243Q44.5Very low49.8Very low124 Ų124125.5 Ų125.558%0.57963%0.634SS**  trans-52.4123.4166.3-78.5-80.9-26.700108.9H241 G245H241-Q243 PolarHBondContact NE2-NE2 3.16Å; H241-Q243 PolarHBondContact O-N 3.27Å; Q243-G245 PolarHBondContact O-N 2.77Å
244P37.5Very low52.6Low106 Ų106117.2 Ų117.269%0.68860%0.595SS**  trans-67.4122.9168.328.7-30.7000107.1F246P244-F246 PolarHBondContact O-N 3Å
245G35.3Very low55.4Low77 Ų77108.6 Ų108.679%0.79456%0.558SS**  trans-64.780.6175.500000111.2Q243 Q247Q243-G245 PolarHBondContact O-N 2.77Å; G245-Q247 PolarHBondContact O-N 2.98Å
246F39.9Very low58.4Low163 Ų163104 Ų10472%0.71554%0.537SS*.  trans-68114.9167.2-157.1-85.1000106.4P244 Q248P244-F246 PolarHBondContact O-N 3Å; F246-Q248 PolarHBondContact O-N 3.14Å
247Q43.3Very low61.2Low166 Ų166102.9 Ų102.978%0.77652%0.518SS*.  trans-57.2106177.9-67.4170-19.400108.1G245 S249G245-Q247 PolarHBondContact O-N 2.98Å; Q247-S249 PolarHBondContact O-N 3.31Å
248Q49Very low63.6Low154 Ų15498.2 Ų98.272%0.7249%0.486SS*.  trans-74.362176.6-72.7-175.6-17.500109.7F246 H250F246-Q248 PolarHBondContact O-N 3.14Å; Q248-H250 PolarHBondContact O-N 3.19Å
249S61.3Low66.2Low67 Ų6798.7 Ų98.747%0.46948%0.482SS..  trans-74.323.5172.262.20000112.4Q247 R305 A306Q247-S249 PolarHBondContact O-N 3.31Å; S249-R305 CarbonylContact O-C 3.57Å; S249-A306 PolarHBondContact O-N 2.77Å
250H78.1Confident68.8Low45 Ų4594 Ų9421%0.20846%0.463CS..EExtended strand (participates in β ladder)trans-149.6135.8176.856.4-80000109.9Q248 R303 V304Q248-H250 PolarHBondContact O-N 3.19Å; H250-R303 HydrophobicContact CB-CG 4.42Å; H250-R303 PolarHBondContact CD2-NE 2.87Å; H250-R303 PolarHBondContact CD2-NH2 3.29Å; H250-R303 PolarHBondContact CE1-NH2 2.75Å; H250-R303 VanDerWaalsContact CE1-NH2 3.25Å; H250-R303 PolarHBondContact ND1-NH2 2.92Å; H250-R303 PolarHBondContact NE2-NH2 3.22Å; H250-V304 CarbonylContact C-O 3.59Å; H250-V304 WeakPolarHBondContact CA-O 3.48Å; H250-V304 VanDerWaalsContact CB-O 3.29Å; H250-V304 WeakPolarHBondContact CB-O 3.32Å
251Y89.4Confident70.8Confident82 Ų8292.8 Ų92.832%0.32246%0.464SS..EExtended strand (participates in β ladder)trans-126.5171174.462.1-81.6000108.4V253 K273 V304Y251-V253 HydrophobicContact CD2-CG2 3.79Å; Y251-V253 HydrophobicContact CE2-CG2 3.48Å; Y251-V253 VanDerWaalsContact CE2-CG2 3.48Å; Y251-K273 HydrophobicContact CD2-CG 4.12Å; Y251-K273 HydrophobicContact CE2-CD 4.3Å; Y251-K273 HydrophobicContact CE2-CG 4.04Å; Y251-V304 HydrophobicContact CD1-CB 4.28Å; Y251-V304 HydrophobicContact CD2-CB 4.28Å; Y251-V304 HydrophobicContact CD2-CG2 4.4Å; Y251-V304 HydrophobicContact CE1-CB 3.95Å; Y251-V304 HydrophobicContact CE1-CG1 3.84Å; Y251-V304 HydrophobicContact CE2-CB 3.97Å; Y251-V304 HydrophobicContact CE2-CG1 4.24Å; Y251-V304 HydrophobicContact CE2-CG2 4.03Å; Y251-V304 HydrophobicContact CG-CB 4.43Å; Y251-V304 PolarHBondContact N-O 2.71Å; Y251-V304 PolarHBondContact O-N 3.28Å
252F93.5Very high73Confident29 Ų2991.2 Ų91.213%0.12746%0.457CS..EExtended strand (participates in β ladder)trans-115.3151176.5-60.6-97.1000110.3I274 V276 W285 I301 I302 R303F252-I274 PolarHBondContact N-O 3.39Å; F252-I274 PolarHBondContact O-N 3Å; F252-V276 HydrophobicContact CD2-CB 4.23Å; F252-V276 HydrophobicContact CD2-CG2 3.51Å; F252-V276 HydrophobicContact CE2-CB 4.06Å; F252-V276 HydrophobicContact CE2-CG2 3.64Å; F252-V276 HydrophobicContact CG-CG2 3.98Å; F252-V276 HydrophobicContact CZ-CG2 4.2Å; F252-W285 HydrophobicContact CE1-CZ3 4.08Å; F252-W285 HydrophobicContact CZ-CZ3 4.25Å; F252-I301 HydrophobicContact CB-CB 4.4Å; F252-I301 HydrophobicContact CB-CD1 3.9Å; F252-I301 HydrophobicContact CD1-CD1 3.6Å; F252-I301 HydrophobicContact CD1-CG1 4.37Å; F252-I301 HydrophobicContact CE1-CD1 4.24Å; F252-I301 HydrophobicContact CG-CD1 3.86Å; F252-I302 CarbonylContact C-O 3.38Å; F252-I302 VanDerWaalsContact CA-O 3.27Å; F252-I302 WeakPolarHBondContact CA-O 3.34Å; F252-R303 HydrophobicContact CD1-CB 3.78Å; F252-R303 HydrophobicContact CD1-CG 4.16Å; F252-R303 HydrophobicContact CE1-CB 3.58Å; F252-R303 HydrophobicContact CE1-CG 3.75Å; F252-R303 HydrophobicContact CZ-CB 4.43Å; F252-R303 HydrophobicContact CZ-CG 4.11Å
253V94.6Very high75.3Confident0 Ų091.9 Ų91.90%046%0.459CS..EExtended strand (participates in β ladder)trans-128.9140.3176.1177.40000110Y251 L255 G271 E272 K273 I301 I302 V304 V310 I333Y251-V253 HydrophobicContact CD2-CG2 3.79Å; Y251-V253 HydrophobicContact CE2-CG2 3.48Å; Y251-V253 VanDerWaalsContact CE2-CG2 3.48Å; V253-L255 PolarHBondContact O-N 3.25Å; V253-G271 WeakPolarHBondContact CG1-O 3.2Å; V253-E272 CarbonylContact C-O 3.57Å; V253-E272 VanDerWaalsContact CA-O 3.29Å; V253-E272 WeakPolarHBondContact CA-O 3.12Å; V253-K273 HydrophobicContact CG2-CG 4.02Å; V253-I301 CarbonylContact O-C 3.56Å; V253-I301 VanDerWaalsContact O-CA 3.28Å; V253-I301 WeakPolarHBondContact O-CA 3.23Å; V253-I302 HydrophobicContact CB-CG2 4.2Å; V253-I302 PolarHBondContact N-O 2.95Å; V253-I302 WeakPolarHBondContact O-CG2 3.2Å; V253-I302 PolarHBondContact O-N 2.92Å; V253-V304 HydrophobicContact CB-CG2 4.29Å; V253-V304 HydrophobicContact CG2-CG2 3.84Å; V253-V310 HydrophobicContact CG1-CG1 4.17Å; V253-V310 HydrophobicContact CG2-CG2 4.2Å; V253-I333 HydrophobicContact CG1-CG2 4.15Å
254A95.3Very high77.5Confident0 Ų090.7 Ų90.70%046%0.457CS..EExtended strand (participates in β ladder)trans-64.9125.6173.900000112.1F268 P269 G271 E272 I274A254-F268 HydrophobicContact CB-CD2 3.36Å; A254-F268 HydrophobicContact CB-CE2 3.57Å; A254-F268 HydrophobicContact CB-CG 4.36Å; A254-P269 WeakPolarHBondContact CB-O 3.49Å; A254-G271 PolarHBondContact O-N 3.34Å; A254-E272 HydrophobicContact CB-CB 4.38Å; A254-E272 PolarHBondContact N-O 3.43Å; A254-I274 HydrophobicContact CB-CD1 4.15Å
255L92.6Very high80.2Confident13 Ų1386.6 Ų86.67%0.06843%0.43CS..SBendtrans-83.2-29.8171.5-70.5178.1000112.8V253 F300 I302 I333V253-L255 PolarHBondContact O-N 3.25Å; L255-F300 PolarHBondContact N-O 2.82Å; L255-I302 HydrophobicContact CD1-CB 4.05Å; L255-I302 HydrophobicContact CD2-CB 3.79Å; L255-I302 HydrophobicContact CD2-CD1 4.19Å; L255-I302 HydrophobicContact CD2-CG2 3.6Å; L255-I302 HydrophobicContact CG-CB 3.85Å; L255-I302 HydrophobicContact CG-CG2 3.99Å; L255-I333 HydrophobicContact CD2-CB 4.16Å; L255-I333 HydrophobicContact CD2-CG2 4.37Å; L255-I333 WeakPolarHBondContact CD2-O 3.5Å
256Y92Very high82.9Confident84 Ų8483 Ų8333%0.32939%0.392SS..SBendtrans-135.8158.2-173.8-54.8-72.6000110.6F258 F300Y256-F258 PolarHBondContact O-N 3.45Å; Y256-F300 HydrophobicContact CD2-CD1 4.49Å
257R92.6Very high85.5Confident106 Ų10677.7 Ų77.740%0.437%0.371SS..PPolyproline II helixtrans-65.6119.7167.7-17780179.2102.9-4.8108.2K259 D267 F268R257-K259 HydrophobicContact CG-CG 4.23Å; R257-D267 IonicContact CZ-OD1 2.75Å; R257-D267 VanDerWaalsContact CZ-OD1 3.28Å; R257-D267 IonicContact CZ-OD2 3.14Å; R257-D267 IonicContact NH1-OD1 2.98Å; R257-D267 PolarHBondContact NH1-OD1 2.97Å; R257-D267 IonicContact NH1-OD2 2.77Å; R257-D267 PolarHBondContact NH1-OD2 2.91Å; R257-D267 VanDerWaalsContact NH1-OD2 3.14Å; R257-D267 VanDerWaalsContact NH2-CG 3.33Å; R257-D267 IonicContact NH2-OD1 3.41Å; R257-D267 PolarHBondContact NH2-OD1 3.11Å; R257-D267 IonicContact NH2-OD2 3.95Å; R257-D267 PolarHBondContact NH2-OD2 3.07Å; R257-F268 WeakPolarHBondContact CA-O 3.34Å; R257-F268 PolarHBondContact NH1-O 3.24Å
258F93.4Very high87.9Confident18 Ų1869.8 Ų69.88%0.07933%0.334CS..BIsolated β-bridgetrans-102.7127.3161-173-127.9000107.9Y256 D265 L266 F268 W284 F296 F300Y256-F258 PolarHBondContact O-N 3.45Å; F258-D265 HydrophobicContact CE1-CB 4.04Å; F258-D265 HydrophobicContact CZ-CB 4.36Å; F258-L266 VanDerWaalsContact CD1-O 3.29Å; F258-L266 WeakPolarHBondContact CD1-O 3.34Å; F258-F268 HydrophobicContact CB-CD1 4.4Å; F258-F268 HydrophobicContact CB-CD2 4.09Å; F258-F268 HydrophobicContact CB-CE1 3.97Å; F258-F268 HydrophobicContact CB-CE2 3.63Å; F258-F268 HydrophobicContact CB-CG 4.45Å; F258-F268 HydrophobicContact CB-CZ 3.57Å; F258-F268 HydrophobicContact CD1-CE1 4.04Å; F258-F268 HydrophobicContact CD1-CZ 4.3Å; F258-F268 HydrophobicContact CG-CE1 4.46Å; F258-F268 HydrophobicContact CG-CZ 4.31Å; F258-F268 PolarHBondContact N-O 3.38Å; F258-F268 PolarHBondContact O-N 3.32Å; F258-W284 HydrophobicContact CE1-CZ3 4.49Å; F258-W284 HydrophobicContact CZ-CH2 4.25Å; F258-W284 AromaticContact CZ-CZ3 3.94Å; F258-W284 HydrophobicContact CZ-CZ3 3.94Å; F258-F296 HydrophobicContact CD1-CB 3.7Å; F258-F296 HydrophobicContact CE1-CB 3.82Å; F258-F300 HydrophobicContact CB-CD1 3.92Å; F258-F300 HydrophobicContact CB-CE1 4.31Å; F258-F300 HydrophobicContact CD2-CD1 4.41Å; F258-F300 HydrophobicContact CD2-CE1 4.23Å; F258-F300 HydrophobicContact CG-CD1 4.49Å
259K91.8Very high90.1Very high145 Ų14565.1 Ų65.163%0.6332%0.317SS*.PPolyproline II helixtrans-102.1127.1173.2-71-176.1178.7-1790107.2R257 L261 D267R257-K259 HydrophobicContact CG-CG 4.23Å; K259-L261 PolarHBondContact O-N 3.36Å; K259-D267 WeakPolarHBondContact CA-OD2 3.45Å
260A91.7Very high91.7Very high43 Ų4364.2 Ų64.236%0.35531%0.31SS..PPolyproline II helixtrans-60.7129.517500000110.5D265 D267A260-D265 HydrophobicContact CB-CB 3.58Å; A260-D267 HydrophobicContact CB-CB 3.91Å
261L88.3Confident92.3Very high157 Ų15762.7 Ų62.782%0.82231%0.306SS*.  trans-102.2-44.3172.9-62.9176.2000109.5K259 D265K259-L261 PolarHBondContact O-N 3.36Å; L261-D265 PolarHBondContact N-OD2 3.11Å
262E89.8Confident92.6Very high141 Ų14162.3 Ų62.366%0.65931%0.308SS*.SBendtrans-93.7165.4173.4-61.5-165.8-17900112.2D264 D265E262-D264 PolarHBondContact O-N 2.96Å; E262-D265 PolarHBondContact N-OD2 3.33Å; E262-D265 PolarHBondContact O-N 3.14Å
263K87.8Confident92.6Very high209 Ų20965.6 Ų65.691%0.90932%0.322SS*.THydrogen-bonded Turntrans-69.1-24.2178.2-64.7177.2-177.31740112.8
264D90.9Very high92.5Very high100 Ų10065.7 Ų65.754%0.53532%0.322SS..THydrogen-bonded Turntrans-963.2179.6-63-35.3000112.5E262 G294 F295E262-D264 PolarHBondContact O-N 2.96Å; D264-G294 CarbonylContact O-C 3.59Å; D264-G294 WeakPolarHBondContact O-CA 2.84Å; D264-F295 HydrophobicContact CB-CD2 4.14Å; D264-F295 HydrophobicContact CB-CE2 4.4Å; D264-F295 PolarHBondContact O-N 3.01Å
265D93.4Very high92.4Very high20 Ų2069.3 Ų69.311%0.10734%0.344CS..BIsolated β-bridgetrans-80.3147.1174.1-79.9-27.8000112.4F258 A260 L261 E262 W284F258-D265 HydrophobicContact CE1-CB 4.04Å; F258-D265 HydrophobicContact CZ-CB 4.36Å; A260-D265 HydrophobicContact CB-CB 3.58Å; L261-D265 PolarHBondContact N-OD2 3.11Å; E262-D265 PolarHBondContact N-OD2 3.33Å; E262-D265 PolarHBondContact O-N 3.14Å; D265-W284 WeakPolarHBondContact OD1-CZ3 2.99Å
266L93.2Very high92.4Very high2 Ų270 Ų701%0.0135%0.349CS..  trans-95.794.7179.6-169.766.1000112.1F258 F268 I274 I289 K292 F295 F296F258-L266 VanDerWaalsContact CD1-O 3.29Å; F258-L266 WeakPolarHBondContact CD1-O 3.34Å; L266-F268 HydrophobicContact CB-CD1 4.39Å; L266-F268 HydrophobicContact CD2-CD1 4.21Å; L266-F268 HydrophobicContact CD2-CE1 4.44Å; L266-F268 HydrophobicContact CG-CD1 4.05Å; L266-F268 WeakPolarHBondContact O-CD1 3.48Å; L266-F268 WeakPolarHBondContact O-CE1 3.29Å; L266-F268 PolarHBondContact O-N 3.03Å; L266-I274 HydrophobicContact CD2-CG2 4.31Å; L266-I289 HydrophobicContact CD1-CD1 4.22Å; L266-I289 HydrophobicContact CD1-CG1 4.44Å; L266-I289 HydrophobicContact CD2-CD1 3.72Å; L266-I289 HydrophobicContact CD2-CG1 3.99Å; L266-I289 HydrophobicContact CG-CD1 3.83Å; L266-I289 HydrophobicContact CG-CG1 4.4Å; L266-K292 HydrophobicContact CD1-CB 3.85Å; L266-F295 PolarHBondContact N-O 2.78Å; L266-F296 HydrophobicContact CB-CD1 4.15Å; L266-F296 HydrophobicContact CD2-CD1 3.67Å; L266-F296 HydrophobicContact CD2-CE1 3.84Å
267D93.3Very high92.4Very high50 Ų5070.8 Ų70.827%0.26736%0.358SS..  trans-64.3126173.6-177.3-81.5000112.3R257 K259 A260R257-D267 IonicContact CZ-OD1 2.75Å; R257-D267 VanDerWaalsContact CZ-OD1 3.28Å; R257-D267 IonicContact CZ-OD2 3.14Å; R257-D267 IonicContact NH1-OD1 2.98Å; R257-D267 PolarHBondContact NH1-OD1 2.97Å; R257-D267 IonicContact NH1-OD2 2.77Å; R257-D267 PolarHBondContact NH1-OD2 2.91Å; R257-D267 VanDerWaalsContact NH1-OD2 3.14Å; R257-D267 VanDerWaalsContact NH2-CG 3.33Å; R257-D267 IonicContact NH2-OD1 3.41Å; R257-D267 PolarHBondContact NH2-OD1 3.11Å; R257-D267 IonicContact NH2-OD2 3.95Å; R257-D267 PolarHBondContact NH2-OD2 3.07Å; K259-D267 WeakPolarHBondContact CA-OD2 3.45Å; A260-D267 HydrophobicContact CB-CB 3.91Å
268F94.8Very high92.2Very high0 Ų069 Ų690%036%0.356CS..BIsolated β-bridgetrans-150.3146.817554.4-105.5000115.7A254 R257 F258 L266 E272 I274 I289 F296 F300 I301A254-F268 HydrophobicContact CB-CD2 3.36Å; A254-F268 HydrophobicContact CB-CE2 3.57Å; A254-F268 HydrophobicContact CB-CG 4.36Å; R257-F268 WeakPolarHBondContact CA-O 3.34Å; R257-F268 PolarHBondContact NH1-O 3.24Å; F258-F268 HydrophobicContact CB-CD1 4.4Å; F258-F268 HydrophobicContact CB-CD2 4.09Å; F258-F268 HydrophobicContact CB-CE1 3.97Å; F258-F268 HydrophobicContact CB-CE2 3.63Å; F258-F268 HydrophobicContact CB-CG 4.45Å; F258-F268 HydrophobicContact CB-CZ 3.57Å; F258-F268 HydrophobicContact CD1-CE1 4.04Å; F258-F268 HydrophobicContact CD1-CZ 4.3Å; F258-F268 HydrophobicContact CG-CE1 4.46Å; F258-F268 HydrophobicContact CG-CZ 4.31Å; F258-F268 PolarHBondContact N-O 3.38Å; F258-F268 PolarHBondContact O-N 3.32Å; L266-F268 HydrophobicContact CB-CD1 4.39Å; L266-F268 HydrophobicContact CD2-CD1 4.21Å; L266-F268 HydrophobicContact CD2-CE1 4.44Å; L266-F268 HydrophobicContact CG-CD1 4.05Å; L266-F268 WeakPolarHBondContact O-CD1 3.48Å; L266-F268 WeakPolarHBondContact O-CE1 3.29Å; L266-F268 PolarHBondContact O-N 3.03Å; F268-E272 HydrophobicContact CB-CB 4.19Å; F268-E272 HydrophobicContact CB-CG 4.34Å; F268-I274 HydrophobicContact CB-CD1 4.49Å; F268-I274 HydrophobicContact CD1-CD1 3.57Å; F268-I274 HydrophobicContact CD2-CD1 3.95Å; F268-I274 HydrophobicContact CE1-CD1 3.59Å; F268-I274 HydrophobicContact CE2-CD1 3.97Å; F268-I274 HydrophobicContact CG-CD1 3.76Å; F268-I274 HydrophobicContact CZ-CD1 3.79Å; F268-I289 HydrophobicContact CB-CD1 3.5Å; F268-I289 VanDerWaalsContact CB-CD1 3.5Å; F268-I289 HydrophobicContact CD1-CD1 3.79Å; F268-I289 HydrophobicContact CG-CD1 3.99Å; F268-F296 HydrophobicContact CE1-CB 3.66Å; F268-F296 AromaticContact CE1-CD1 3.98Å; F268-F296 HydrophobicContact CE1-CD1 3.98Å; F268-F296 HydrophobicContact CE1-CD2 4.16Å; F268-F296 AromaticContact CE1-CG 3.65Å; F268-F296 HydrophobicContact CE1-CG 3.65Å; F268-F296 HydrophobicContact CZ-CB 4.02Å; F268-F296 HydrophobicContact CZ-CD2 4.12Å; F268-F296 HydrophobicContact CZ-CG 4.03Å; F268-F300 HydrophobicContact CE2-CB 4.36Å; F268-F300 HydrophobicContact CZ-CB 4.2Å; F268-I301 HydrophobicContact CZ-CG2 4.38Å
269P94.5Very high92.1Very high56 Ų5673.2 Ų73.236%0.36438%0.38SS..  trans-79.4158.4171.332.9-33.5000112.6A254 G271 E272A254-P269 WeakPolarHBondContact CB-O 3.49Å; P269-G271 PolarHBondContact O-N 3.26Å; P269-E272 HydrophobicContact CG-CB 4.12Å; P269-E272 WeakPolarHBondContact O-CB 3.29Å; P269-E272 PolarHBondContact O-N 3.16Å
270P94.1Very high92Very high48 Ų4871.3 Ų71.331%0.31239%0.385SS..THydrogen-bonded Turntrans-62.3134.1169.828.5-33.9000110I333P270-I333 HydrophobicContact CB-CD1 4.3Å; P270-I333 HydrophobicContact CB-CG1 3.8Å
271G92.5Very high91.7Very high13 Ų1372.8 Ų72.813%0.13439%0.386CS..THydrogen-bonded Turntrans97.3-10.7-175.300000114.8V253 A254 P269 I364V253-G271 WeakPolarHBondContact CG1-O 3.2Å; A254-G271 PolarHBondContact O-N 3.34Å; P269-G271 PolarHBondContact O-N 3.26Å; G271-I364 VanDerWaalsContact CA-CD1 3.45Å
272E94.6Very high91.6Very high75 Ų7572.3 Ų72.335%0.3538%0.38SS..  trans-67.6140.4179.3-161.361.7-160.600112V253 A254 F268 P269 I289V253-E272 CarbonylContact C-O 3.57Å; V253-E272 VanDerWaalsContact CA-O 3.29Å; V253-E272 WeakPolarHBondContact CA-O 3.12Å; A254-E272 HydrophobicContact CB-CB 4.38Å; A254-E272 PolarHBondContact N-O 3.43Å; F268-E272 HydrophobicContact CB-CB 4.19Å; F268-E272 HydrophobicContact CB-CG 4.34Å; P269-E272 HydrophobicContact CG-CB 4.12Å; P269-E272 WeakPolarHBondContact O-CB 3.29Å; P269-E272 PolarHBondContact O-N 3.16Å; E272-I289 HydrophobicContact CG-CD1 4.06Å; E272-I289 HydrophobicContact CG-CG1 4.46Å; E272-I289 HydrophobicContact CG-CG2 3.73Å; E272-I289 WeakPolarHBondContact OE1-CG2 3.27Å
273K92.9Very high91.5Very high98 Ų9871.5 Ų71.543%0.42638%0.377SS..EExtended strand (participates in β ladder)trans-88.4119.4-179.2-73.9162.8-179.8154.90109.8Y251 V253 I364Y251-K273 HydrophobicContact CD2-CG 4.12Å; Y251-K273 HydrophobicContact CE2-CD 4.3Å; Y251-K273 HydrophobicContact CE2-CG 4.04Å; V253-K273 HydrophobicContact CG2-CG 4.02Å; K273-I364 VanDerWaalsContact NZ-C 3.27Å; K273-I364 PolarHBondContact NZ-O 3.34Å; K273-I364 PolarHBondContact NZ-OXT 2.85Å
274I93.2Very high91.7Very high1 Ų166.8 Ų66.81%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-116.4128.9-170.8-52.3-173.3000110.2F252 A254 L266 F268 I289 F296 I301F252-I274 PolarHBondContact N-O 3.39Å; F252-I274 PolarHBondContact O-N 3Å; A254-I274 HydrophobicContact CB-CD1 4.15Å; L266-I274 HydrophobicContact CD2-CG2 4.31Å; F268-I274 HydrophobicContact CB-CD1 4.49Å; F268-I274 HydrophobicContact CD1-CD1 3.57Å; F268-I274 HydrophobicContact CD2-CD1 3.95Å; F268-I274 HydrophobicContact CE1-CD1 3.59Å; F268-I274 HydrophobicContact CE2-CD1 3.97Å; F268-I274 HydrophobicContact CG-CD1 3.76Å; F268-I274 HydrophobicContact CZ-CD1 3.79Å; I274-I289 HydrophobicContact CB-CG1 4.34Å; I274-I289 HydrophobicContact CD1-CD1 3.92Å; I274-I289 HydrophobicContact CG1-CD1 3.73Å; I274-I289 HydrophobicContact CG1-CG1 3.87Å; I274-I289 HydrophobicContact CG2-CG1 4.29Å; I274-F296 HydrophobicContact CG2-CE1 3.83Å; I274-F296 HydrophobicContact CG2-CZ 3.85Å; I274-I301 HydrophobicContact CD1-CG2 3.76Å
275T92.6Very high91.9Very high76 Ų7664.3 Ų64.347%0.46634%0.336SS..EExtended strand (participates in β ladder)trans-95.3111.2170.6-57.70000108.9G287 K288T275-G287 CarbonylContact O-C 3.58Å; T275-G287 WeakPolarHBondContact O-CA 3.28Å; T275-K288 PolarHBondContact N-O 2.91Å; T275-K288 PolarHBondContact O-N 2.99Å
276V92.6Very high91.8Very high28 Ų2868 Ų6817%0.1735%0.349CS..EExtended strand (participates in β ladder)trans-71.1130.6172.8179.90000108.7F252 D279 W285 F296 I301F252-V276 HydrophobicContact CD2-CB 4.23Å; F252-V276 HydrophobicContact CD2-CG2 3.51Å; F252-V276 HydrophobicContact CE2-CB 4.06Å; F252-V276 HydrophobicContact CE2-CG2 3.64Å; F252-V276 HydrophobicContact CG-CG2 3.98Å; F252-V276 HydrophobicContact CZ-CG2 4.2Å; V276-D279 HydrophobicContact CG1-CB 4.19Å; V276-W285 HydrophobicContact CG1-CD2 4.47Å; V276-W285 HydrophobicContact CG1-CE3 3.93Å; V276-W285 HydrophobicContact CG2-CE3 3.87Å; V276-W285 HydrophobicContact CG2-CZ3 4.24Å; V276-F296 HydrophobicContact CG2-CZ 4.34Å; V276-I301 HydrophobicContact CG2-CD1 3.97Å
277I91.7Very high91.9Very high100 Ų10067.9 Ų67.951%0.51335%0.348SS..EExtended strand (participates in β ladder)trans-104.5-40.8177.9-64.7174.8000110.3R286 K288 V293I277-R286 PolarHBondContact N-O 3.16Å; I277-K288 HydrophobicContact CD1-CB 3.61Å; I277-K288 HydrophobicContact CD1-CD 4.23Å; I277-K288 HydrophobicContact CG1-CB 4.3Å; I277-V293 HydrophobicContact CD1-CG1 4.27Å
278D89.8Confident91.9Very high68 Ų6869.7 Ų69.736%0.36435%0.354SS..EExtended strand (participates in β ladder)trans-138.4118.9-177-164.6-8.8000110.2S280 W285 R286D278-S280 WeakPolarHBondContact OD1-CB 3.21Å; D278-S280 PolarHBondContact OD1-N 3.37Å; D278-S280 PolarHBondContact OD1-OG 3.49Å; D278-W285 WeakPolarHBondContact O-CA 3.49Å; D278-R286 HydrophobicContact CB-CB 3.9Å; D278-R286 PolarHBondContact N-O 2.78Å; D278-R286 PolarHBondContact O-N 3.1Å
279D90.9Very high91.8Very high107 Ų10770.7 Ų70.757%0.57236%0.359SS*.  trans-112.917.8175.362.4-18.8000112.6V276 N281 W285V276-D279 HydrophobicContact CG1-CB 4.19Å; D279-N281 PolarHBondContact O-N 2.78Å; D279-W285 HydrophobicContact CB-CD2 3.93Å; D279-W285 HydrophobicContact CB-CE3 4.37Å; D279-W285 HydrophobicContact CB-CG 4.38Å; D279-W285 HydrophobicContact CB-CH2 4.4Å; D279-W285 HydrophobicContact CB-CZ2 3.95Å
280S89.2Confident91.5Very high106 Ų10671.2 Ų71.274%0.74137%0.374SS*.  trans-68.8-15.7-176.5-54.70000115.2D278D278-S280 WeakPolarHBondContact OD1-CB 3.21Å; D278-S280 PolarHBondContact OD1-N 3.37Å; D278-S280 PolarHBondContact OD1-OG 3.49Å
281N86.9Confident91.3Very high73 Ų7377.8 Ų77.839%0.3940%0.401SS..SBendtrans-113.9137.3-178.6174.5-42.4000108.7D279 E283 W284 W285D279-N281 PolarHBondContact O-N 2.78Å; N281-E283 PolarHBondContact OD1-N 2.8Å; N281-E283 PolarHBondContact OD1-OE2 3.28Å; N281-W284 WeakPolarHBondContact CB-O 3.14Å; N281-W284 PolarHBondContact OD1-N 3.27Å; N281-W285 PolarHBondContact O-NE1 2.75Å
282E85.6Confident91.3Very high147 Ų14783.5 Ų83.569%0.68742%0.422SS*.SBendtrans-83-25.9-174.1-61.7-163.7169.600112.9P298E282-P298 VanDerWaalsContact O-CG 3.32Å; E282-P298 WeakPolarHBondContact O-CG 3.24Å
283E88.3Confident91.2Very high125 Ų12583.2 Ų83.258%0.58443%0.425SS*.SBendtrans-86.4-37.5178.7-66.670.1-149.700113.2N281 P298N281-E283 PolarHBondContact OD1-N 2.8Å; N281-E283 PolarHBondContact OD1-OE2 3.28Å; E283-P298 WeakPolarHBondContact O-CD 3.1Å
284W91.2Very high91.3Very high109 Ų10978.7 Ų78.741%0.41341%0.406SS..  trans-136.8113.3-170.3-69.895.3000112.5F258 D265 N281 F295 P297F258-W284 HydrophobicContact CE1-CZ3 4.49Å; F258-W284 HydrophobicContact CZ-CH2 4.25Å; F258-W284 AromaticContact CZ-CZ3 3.94Å; F258-W284 HydrophobicContact CZ-CZ3 3.94Å; D265-W284 WeakPolarHBondContact OD1-CZ3 2.99Å; N281-W284 WeakPolarHBondContact CB-O 3.14Å; N281-W284 PolarHBondContact OD1-N 3.27Å; W284-F295 HydrophobicContact CE3-CB 3.91Å; W284-P297 HydrophobicContact CH2-CG 4.49Å; W284-P297 HydrophobicContact CZ3-CG 4.29Å
285W94.3Very high91.3Very high49 Ų4981.6 Ų81.619%0.18642%0.419CS..EExtended strand (participates in β ladder)trans-95.6143.5175-73.79.4000110.6F252 V276 D278 D279 N281 F295 F296 P298 I301F252-W285 HydrophobicContact CE1-CZ3 4.08Å; F252-W285 HydrophobicContact CZ-CZ3 4.25Å; V276-W285 HydrophobicContact CG1-CD2 4.47Å; V276-W285 HydrophobicContact CG1-CE3 3.93Å; V276-W285 HydrophobicContact CG2-CE3 3.87Å; V276-W285 HydrophobicContact CG2-CZ3 4.24Å; D278-W285 WeakPolarHBondContact O-CA 3.49Å; D279-W285 HydrophobicContact CB-CD2 3.93Å; D279-W285 HydrophobicContact CB-CE3 4.37Å; D279-W285 HydrophobicContact CB-CG 4.38Å; D279-W285 HydrophobicContact CB-CH2 4.4Å; D279-W285 HydrophobicContact CB-CZ2 3.95Å; N281-W285 PolarHBondContact O-NE1 2.75Å; W285-F295 CarbonylContact O-C 3.58Å; W285-F295 VanDerWaalsContact O-CA 3.29Å; W285-F295 WeakPolarHBondContact O-CA 3.45Å; W285-F296 HydrophobicContact CB-CE2 4.24Å; W285-F296 HydrophobicContact CB-CZ 4.21Å; W285-F296 PolarHBondContact N-O 2.98Å; W285-F296 PolarHBondContact O-N 2.86Å; W285-P298 HydrophobicContact CD2-CB 3.68Å; W285-P298 HydrophobicContact CD2-CG 4.43Å; W285-P298 HydrophobicContact CE3-CB 4.05Å; W285-P298 HydrophobicContact CG-CB 4.04Å; W285-P298 HydrophobicContact CG-CG 4.41Å; W285-P298 HydrophobicContact CH2-CB 4.36Å; W285-P298 HydrophobicContact CZ2-CB 4.02Å; W285-P298 HydrophobicContact CZ3-CB 4.38Å; W285-I301 HydrophobicContact CE3-CD1 3.85Å; W285-I301 HydrophobicContact CZ3-CD1 3.94Å
286R92.5Very high91.4Very high97 Ų9778 Ų7837%0.36640%0.396SS..EExtended strand (participates in β ladder)trans-94.3130.5170-173.6176.2-89.8-162.3-12.2109.5I277 D278 V293 G294 F295I277-R286 PolarHBondContact N-O 3.16Å; D278-R286 HydrophobicContact CB-CB 3.9Å; D278-R286 PolarHBondContact N-O 2.78Å; D278-R286 PolarHBondContact O-N 3.1Å; R286-V293 HydrophobicContact CG-CG1 3.98Å; R286-G294 WeakPolarHBondContact CA-O 3.38Å; R286-F295 HydrophobicContact CB-CD1 3.9Å; R286-F295 HydrophobicContact CB-CE1 3.84Å; R286-F295 HydrophobicContact CG-CE1 4.37Å; R286-F295 VanDerWaalsContact NE-CZ 3.32Å; R286-F295 VanDerWaalsContact NH2-CE2 3.31Å; R286-F295 VanDerWaalsContact NH2-CZ 3.26Å
287G93.7Very high91.4Very high0 Ų077.9 Ų77.90%040%0.396CS..EExtended strand (participates in β ladder)trans-143.6-178.4172.100000113.3T275 V293 G294T275-G287 CarbonylContact O-C 3.58Å; T275-G287 WeakPolarHBondContact O-CA 3.28Å; G287-V293 WeakPolarHBondContact O-CA 3.4Å; G287-G294 PolarHBondContact N-O 2.94Å; G287-G294 PolarHBondContact O-N 3.02Å; G287-G294 VanDerWaalsContact O-N 3.11Å
288K93.5Very high91.3Very high88 Ų8874.2 Ų74.238%0.38338%0.379SS..EExtended strand (participates in β ladder)trans-137137.5-172.2177.9169.7-178.6171.10111.5T275 I277 G290 K292 V293T275-K288 PolarHBondContact N-O 2.91Å; T275-K288 PolarHBondContact O-N 2.99Å; I277-K288 HydrophobicContact CD1-CB 3.61Å; I277-K288 HydrophobicContact CD1-CD 4.23Å; I277-K288 HydrophobicContact CG1-CB 4.3Å; K288-G290 WeakPolarHBondContact CE-O 3.14Å; K288-K292 CarbonylContact C-O 3.59Å; K288-K292 VanDerWaalsContact CA-O 3.24Å; K288-K292 WeakPolarHBondContact CA-O 2.95Å; K288-V293 HydrophobicContact CB-CG2 4.05Å; K288-V293 HydrophobicContact CD-CG2 3.88Å; K288-V293 HydrophobicContact CG-CG2 3.89Å
289I93.3Very high91.4Very high21 Ų2176.9 Ų76.911%0.10839%0.393CS..EExtended strand (participates in β ladder)trans-133.2110176.9-61.2167.1000107L266 F268 E272 I274 E291 K292L266-I289 HydrophobicContact CD1-CD1 4.22Å; L266-I289 HydrophobicContact CD1-CG1 4.44Å; L266-I289 HydrophobicContact CD2-CD1 3.72Å; L266-I289 HydrophobicContact CD2-CG1 3.99Å; L266-I289 HydrophobicContact CG-CD1 3.83Å; L266-I289 HydrophobicContact CG-CG1 4.4Å; F268-I289 HydrophobicContact CB-CD1 3.5Å; F268-I289 VanDerWaalsContact CB-CD1 3.5Å; F268-I289 HydrophobicContact CD1-CD1 3.79Å; F268-I289 HydrophobicContact CG-CD1 3.99Å; E272-I289 HydrophobicContact CG-CD1 4.06Å; E272-I289 HydrophobicContact CG-CG1 4.46Å; E272-I289 HydrophobicContact CG-CG2 3.73Å; E272-I289 WeakPolarHBondContact OE1-CG2 3.27Å; I274-I289 HydrophobicContact CB-CG1 4.34Å; I274-I289 HydrophobicContact CD1-CD1 3.92Å; I274-I289 HydrophobicContact CG1-CD1 3.73Å; I274-I289 HydrophobicContact CG1-CG1 3.87Å; I274-I289 HydrophobicContact CG2-CG1 4.29Å; I289-E291 PolarHBondContact O-N 3.02Å; I289-K292 PolarHBondContact N-O 2.93Å; I289-K292 PolarHBondContact O-N 2.92Å
290G88.8Confident91.5Very high67 Ų6774.6 Ų74.669%0.69138%0.379SS*.THydrogen-bonded Turntrans57.3-112.6-170.300000110.9K288K288-G290 WeakPolarHBondContact CE-O 3.14Å
291E89.6Confident91.7Very high186 Ų18670.3 Ų70.387%0.86935%0.347SS*.THydrogen-bonded Turntrans-96.8-18.9175.8-61.6-174.6152.700113.7I289I289-E291 PolarHBondContact O-N 3.02Å
292K92.3Very high92Very high132 Ų13267.1 Ų67.157%0.57433%0.33SS*.EExtended strand (participates in β ladder)trans-72.4133.4-179.1-62.2-177.7-179.1-179.90110.2L266 K288 I289L266-K292 HydrophobicContact CD1-CB 3.85Å; K288-K292 CarbonylContact C-O 3.59Å; K288-K292 VanDerWaalsContact CA-O 3.24Å; K288-K292 WeakPolarHBondContact CA-O 2.95Å; I289-K292 PolarHBondContact N-O 2.93Å; I289-K292 PolarHBondContact O-N 2.92Å
293V92.9Very high92.2Very high70 Ų7065.6 Ų65.642%0.42432%0.318SS..EExtended strand (participates in β ladder)trans-127.4137.3174.4-177.60000107.7I277 R286 G287 K288I277-V293 HydrophobicContact CD1-CG1 4.27Å; R286-V293 HydrophobicContact CG-CG1 3.98Å; G287-V293 WeakPolarHBondContact O-CA 3.4Å; K288-V293 HydrophobicContact CB-CG2 4.05Å; K288-V293 HydrophobicContact CD-CG2 3.88Å; K288-V293 HydrophobicContact CG-CG2 3.89Å
294G93.9Very high92.4Very high2 Ų259.7 Ų59.72%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-175.1179.6178.100000112.7D264 R286 G287D264-G294 CarbonylContact O-C 3.59Å; D264-G294 WeakPolarHBondContact O-CA 2.84Å; R286-G294 WeakPolarHBondContact CA-O 3.38Å; G287-G294 PolarHBondContact N-O 2.94Å; G287-G294 PolarHBondContact O-N 3.02Å; G287-G294 VanDerWaalsContact O-N 3.11Å
295F93.8Very high92.3Very high62 Ų6261.9 Ų61.927%0.27230%0.299SS..EExtended strand (participates in β ladder)trans-91.1152177.9-61.7-78.8000111.8D264 L266 W284 W285 R286D264-F295 HydrophobicContact CB-CD2 4.14Å; D264-F295 HydrophobicContact CB-CE2 4.4Å; D264-F295 PolarHBondContact O-N 3.01Å; L266-F295 PolarHBondContact N-O 2.78Å; W284-F295 HydrophobicContact CE3-CB 3.91Å; W285-F295 CarbonylContact O-C 3.58Å; W285-F295 VanDerWaalsContact O-CA 3.29Å; W285-F295 WeakPolarHBondContact O-CA 3.45Å; R286-F295 HydrophobicContact CB-CD1 3.9Å; R286-F295 HydrophobicContact CB-CE1 3.84Å; R286-F295 HydrophobicContact CG-CE1 4.37Å; R286-F295 VanDerWaalsContact NE-CZ 3.32Å; R286-F295 VanDerWaalsContact NH2-CE2 3.31Å; R286-F295 VanDerWaalsContact NH2-CZ 3.26Å
296F94.6Very high91.8Very high0 Ų063 Ų630%032%0.318CS..EExtended strand (participates in β ladder)trans-160159.9171.161.3-90.7000111.1F258 L266 F268 I274 V276 W285 I301F258-F296 HydrophobicContact CD1-CB 3.7Å; F258-F296 HydrophobicContact CE1-CB 3.82Å; L266-F296 HydrophobicContact CB-CD1 4.15Å; L266-F296 HydrophobicContact CD2-CD1 3.67Å; L266-F296 HydrophobicContact CD2-CE1 3.84Å; F268-F296 HydrophobicContact CE1-CB 3.66Å; F268-F296 AromaticContact CE1-CD1 3.98Å; F268-F296 HydrophobicContact CE1-CD1 3.98Å; F268-F296 HydrophobicContact CE1-CD2 4.16Å; F268-F296 AromaticContact CE1-CG 3.65Å; F268-F296 HydrophobicContact CE1-CG 3.65Å; F268-F296 HydrophobicContact CZ-CB 4.02Å; F268-F296 HydrophobicContact CZ-CD2 4.12Å; F268-F296 HydrophobicContact CZ-CG 4.03Å; I274-F296 HydrophobicContact CG2-CE1 3.83Å; I274-F296 HydrophobicContact CG2-CZ 3.85Å; V276-F296 HydrophobicContact CG2-CZ 4.34Å; W285-F296 HydrophobicContact CB-CE2 4.24Å; W285-F296 HydrophobicContact CB-CZ 4.21Å; W285-F296 PolarHBondContact N-O 2.98Å; W285-F296 PolarHBondContact O-N 2.86Å; F296-I301 HydrophobicContact CD2-CG2 4.13Å; F296-I301 HydrophobicContact CE2-CB 4.45Å; F296-I301 HydrophobicContact CE2-CD1 3.62Å; F296-I301 HydrophobicContact CE2-CG1 3.95Å; F296-I301 HydrophobicContact CE2-CG2 3.64Å; F296-I301 HydrophobicContact CZ-CD1 4Å; F296-I301 HydrophobicContact CZ-CG2 4.32Å
297P92.3Very high91.4Very high26 Ų2662.3 Ų62.317%0.16934%0.341CS..  trans-74.3133.6178.5-16.731.4000112.4W284 N299 F300W284-P297 HydrophobicContact CH2-CG 4.49Å; W284-P297 HydrophobicContact CZ3-CG 4.29Å; P297-N299 PolarHBondContact O-N 2.9Å; P297-N299 VanDerWaalsContact O-N 3.07Å; P297-F300 HydrophobicContact CB-CD2 4Å; P297-F300 HydrophobicContact CB-CE2 4.47Å; P297-F300 HydrophobicContact CG-CD2 4.19Å; P297-F300 HydrophobicContact CG-CE2 4.37Å; P297-F300 WeakPolarHBondContact O-CB 3.24Å; P297-F300 PolarHBondContact O-N 2.92Å
298P90.9Very high91.2Very high24 Ų2464 Ų6416%0.15635%0.349CS..G310 helixtrans-61.2-24.7-177.521.2-30.9000113.9E282 E283 W285 F300 I301E282-P298 VanDerWaalsContact O-CG 3.32Å; E282-P298 WeakPolarHBondContact O-CG 3.24Å; E283-P298 WeakPolarHBondContact O-CD 3.1Å; W285-P298 HydrophobicContact CD2-CB 3.68Å; W285-P298 HydrophobicContact CD2-CG 4.43Å; W285-P298 HydrophobicContact CE3-CB 4.05Å; W285-P298 HydrophobicContact CG-CB 4.04Å; W285-P298 HydrophobicContact CG-CG 4.41Å; W285-P298 HydrophobicContact CH2-CB 4.36Å; W285-P298 HydrophobicContact CZ2-CB 4.02Å; W285-P298 HydrophobicContact CZ3-CB 4.38Å; P298-F300 PolarHBondContact O-N 3.27Å; P298-F300 VanDerWaalsContact O-N 3.16Å; P298-I301 WeakPolarHBondContact O-CG1 3.38Å; P298-I301 PolarHBondContact O-N 3.41Å
299N91.8Very high91.1Very high123 Ų12364.3 Ų64.366%0.65835%0.348SS*.G310 helixtrans-65.5-11.7175.7-71.2-52.4000114.4P297P297-N299 PolarHBondContact O-N 2.9Å; P297-N299 VanDerWaalsContact O-N 3.07Å
300F91.8Very high91.2Very high60 Ų6063.4 Ų63.426%0.26334%0.343SS..G310 helixtrans-88.8-6.6179-83.2-120.1000113.5L255 Y256 F258 F268 P297 P298L255-F300 PolarHBondContact N-O 2.82Å; Y256-F300 HydrophobicContact CD2-CD1 4.49Å; F258-F300 HydrophobicContact CB-CD1 3.92Å; F258-F300 HydrophobicContact CB-CE1 4.31Å; F258-F300 HydrophobicContact CD2-CD1 4.41Å; F258-F300 HydrophobicContact CD2-CE1 4.23Å; F258-F300 HydrophobicContact CG-CD1 4.49Å; F268-F300 HydrophobicContact CE2-CB 4.36Å; F268-F300 HydrophobicContact CZ-CB 4.2Å; P297-F300 HydrophobicContact CB-CD2 4Å; P297-F300 HydrophobicContact CB-CE2 4.47Å; P297-F300 HydrophobicContact CG-CD2 4.19Å; P297-F300 HydrophobicContact CG-CE2 4.37Å; P297-F300 WeakPolarHBondContact O-CB 3.24Å; P297-F300 PolarHBondContact O-N 2.92Å; P298-F300 PolarHBondContact O-N 3.27Å; P298-F300 VanDerWaalsContact O-N 3.16Å
301I93.2Very high91.5Very high15 Ų1561.2 Ų61.28%0.07732%0.315CS..EExtended strand (participates in β ladder)trans-121.6158.5-176.960.5164000112.5F252 V253 F268 I274 V276 W285 F296 P298F252-I301 HydrophobicContact CB-CB 4.4Å; F252-I301 HydrophobicContact CB-CD1 3.9Å; F252-I301 HydrophobicContact CD1-CD1 3.6Å; F252-I301 HydrophobicContact CD1-CG1 4.37Å; F252-I301 HydrophobicContact CE1-CD1 4.24Å; F252-I301 HydrophobicContact CG-CD1 3.86Å; V253-I301 CarbonylContact O-C 3.56Å; V253-I301 VanDerWaalsContact O-CA 3.28Å; V253-I301 WeakPolarHBondContact O-CA 3.23Å; F268-I301 HydrophobicContact CZ-CG2 4.38Å; I274-I301 HydrophobicContact CD1-CG2 3.76Å; V276-I301 HydrophobicContact CG2-CD1 3.97Å; W285-I301 HydrophobicContact CE3-CD1 3.85Å; W285-I301 HydrophobicContact CZ3-CD1 3.94Å; F296-I301 HydrophobicContact CD2-CG2 4.13Å; F296-I301 HydrophobicContact CE2-CB 4.45Å; F296-I301 HydrophobicContact CE2-CD1 3.62Å; F296-I301 HydrophobicContact CE2-CG1 3.95Å; F296-I301 HydrophobicContact CE2-CG2 3.64Å; F296-I301 HydrophobicContact CZ-CD1 4Å; F296-I301 HydrophobicContact CZ-CG2 4.32Å; P298-I301 WeakPolarHBondContact O-CG1 3.38Å; P298-I301 PolarHBondContact O-N 3.41Å
302I93Very high91.8Very high6 Ų656 Ų563%0.03129%0.288CS..EExtended strand (participates in β ladder)trans-123.1137172.2-170.3157.8000110.6F252 V253 L255 V304 V335 Y348F252-I302 CarbonylContact C-O 3.38Å; F252-I302 VanDerWaalsContact CA-O 3.27Å; F252-I302 WeakPolarHBondContact CA-O 3.34Å; V253-I302 HydrophobicContact CB-CG2 4.2Å; V253-I302 PolarHBondContact N-O 2.95Å; V253-I302 WeakPolarHBondContact O-CG2 3.2Å; V253-I302 PolarHBondContact O-N 2.92Å; L255-I302 HydrophobicContact CD1-CB 4.05Å; L255-I302 HydrophobicContact CD2-CB 3.79Å; L255-I302 HydrophobicContact CD2-CD1 4.19Å; L255-I302 HydrophobicContact CD2-CG2 3.6Å; L255-I302 HydrophobicContact CG-CB 3.85Å; L255-I302 HydrophobicContact CG-CG2 3.99Å; I302-V304 HydrophobicContact CG2-CG2 4.5Å; I302-V335 HydrophobicContact CB-CG2 4.47Å; I302-V335 HydrophobicContact CD1-CB 4.16Å; I302-V335 HydrophobicContact CD1-CG2 3.62Å; I302-V335 HydrophobicContact CG1-CG2 3.86Å; I302-V335 HydrophobicContact CG2-CG2 3.76Å; I302-Y348 HydrophobicContact CD1-CD1 3.73Å; I302-Y348 HydrophobicContact CD1-CE1 3.98Å; I302-Y348 HydrophobicContact CG1-CE1 4.49Å
303R91.5Very high91.9Very high116 Ų11649.8 Ų49.844%0.43826%0.26SS..EExtended strand (participates in β ladder)trans-79.9124.1174.4-170.2175.9179.3168.15.3110.5H250 F252H250-R303 HydrophobicContact CB-CG 4.42Å; H250-R303 PolarHBondContact CD2-NE 2.87Å; H250-R303 PolarHBondContact CD2-NH2 3.29Å; H250-R303 PolarHBondContact CE1-NH2 2.75Å; H250-R303 VanDerWaalsContact CE1-NH2 3.25Å; H250-R303 PolarHBondContact ND1-NH2 2.92Å; H250-R303 PolarHBondContact NE2-NH2 3.22Å; F252-R303 HydrophobicContact CD1-CB 3.78Å; F252-R303 HydrophobicContact CD1-CG 4.16Å; F252-R303 HydrophobicContact CE1-CB 3.58Å; F252-R303 HydrophobicContact CE1-CG 3.75Å; F252-R303 HydrophobicContact CZ-CB 4.43Å; F252-R303 HydrophobicContact CZ-CG 4.11Å
304V91.9Very high92.1Very high0 Ų049 Ų490%026%0.256CS..EExtended strand (participates in β ladder)trans-109.4131.9176.9-166.20000108.4H250 Y251 V253 I302 E308 V310 V335H250-V304 CarbonylContact C-O 3.59Å; H250-V304 WeakPolarHBondContact CA-O 3.48Å; H250-V304 VanDerWaalsContact CB-O 3.29Å; H250-V304 WeakPolarHBondContact CB-O 3.32Å; Y251-V304 HydrophobicContact CD1-CB 4.28Å; Y251-V304 HydrophobicContact CD2-CB 4.28Å; Y251-V304 HydrophobicContact CD2-CG2 4.4Å; Y251-V304 HydrophobicContact CE1-CB 3.95Å; Y251-V304 HydrophobicContact CE1-CG1 3.84Å; Y251-V304 HydrophobicContact CE2-CB 3.97Å; Y251-V304 HydrophobicContact CE2-CG1 4.24Å; Y251-V304 HydrophobicContact CE2-CG2 4.03Å; Y251-V304 HydrophobicContact CG-CB 4.43Å; Y251-V304 PolarHBondContact N-O 2.71Å; Y251-V304 PolarHBondContact O-N 3.28Å; V253-V304 HydrophobicContact CB-CG2 4.29Å; V253-V304 HydrophobicContact CG2-CG2 3.84Å; I302-V304 HydrophobicContact CG2-CG2 4.5Å; V304-E308 HydrophobicContact CG1-CB 3.88Å; V304-E308 WeakPolarHBondContact CG1-O 3.38Å; V304-V310 HydrophobicContact CB-CG2 4.33Å; V304-V310 HydrophobicContact CG1-CG2 3.73Å; V304-V310 HydrophobicContact CG2-CG2 3.66Å; V304-V335 HydrophobicContact CG1-CG1 4.37Å; V304-V335 HydrophobicContact CG2-CG2 3.94Å
305R89.1Confident92.2Very high156 Ų15656.3 Ų56.359%0.58928%0.283SS*.EExtended strand (participates in β ladder)trans-97.4159.2174.6-59.9176174.3154.2-1.6110.9S249 G307 E308S249-R305 CarbonylContact O-C 3.57Å; R305-G307 PolarHBondContact O-N 3.06Å; R305-E308 HydrophobicContact CB-CG 4.04Å; R305-E308 PolarHBondContact N-OE2 2.97Å; R305-E308 WeakPolarHBondContact O-CB 3.24Å; R305-E308 PolarHBondContact O-N 2.75Å
306A82.7Confident92.2Very high72 Ų7256.9 Ų56.960%0.59529%0.294SS*.THydrogen-bonded Turntrans-53.8127.8169.800000110.7S249S249-A306 PolarHBondContact O-N 2.77Å
307G84.1Confident92.3Very high83 Ų8358.9 Ų58.986%0.85630%0.303SS*.THydrogen-bonded Turntrans88.6-7.7-17400000115.3R305R305-G307 PolarHBondContact O-N 3.06Å
308E90.5Very high92.4Very high34 Ų3463.2 Ų63.216%0.15933%0.329CS..  trans-90.9129.5171.3-58.5178.4160.700109.8V304 R305 V335 K337V304-E308 HydrophobicContact CG1-CB 3.88Å; V304-E308 WeakPolarHBondContact CG1-O 3.38Å; R305-E308 HydrophobicContact CB-CG 4.04Å; R305-E308 PolarHBondContact N-OE2 2.97Å; R305-E308 WeakPolarHBondContact O-CB 3.24Å; R305-E308 PolarHBondContact O-N 2.75Å; E308-V335 HydrophobicContact CB-CG1 3.86Å; E308-K337 HydrophobicContact CG-CD 4.5Å; E308-K337 IonicContact OE1-NZ 2.84Å; E308-K337 PolarHBondContact OE1-NZ 2.84Å; E308-K337 IonicContact OE2-NZ 3.28Å; E308-K337 PolarHBondContact OE2-NZ 2.84Å
309R91.6Very high92.5Very high96 Ų9662.5 Ų62.536%0.36233%0.326SS..  trans-93.4150.4177.6-59.5-171.3-61.6-11421.6110.7V335 Q336 E363R309-V335 WeakPolarHBondContact O-CA 3.35Å; R309-Q336 HydrophobicContact CB-CB 4.25Å; R309-Q336 PolarHBondContact O-N 2.89Å; R309-E363 VanDerWaalsContact CD-OE1 3.31Å; R309-E363 WeakPolarHBondContact CD-OE1 2.94Å; R309-E363 WeakPolarHBondContact CD-OE2 3.11Å; R309-E363 IonicContact NE-OE2 3.26Å
310V94.2Very high92.6Very high1 Ų160 Ų601%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-115.1134.2179.9-166.30000108.3V253 V304 I333 V335 E363 I364V253-V310 HydrophobicContact CG1-CG1 4.17Å; V253-V310 HydrophobicContact CG2-CG2 4.2Å; V304-V310 HydrophobicContact CB-CG2 4.33Å; V304-V310 HydrophobicContact CG1-CG2 3.73Å; V304-V310 HydrophobicContact CG2-CG2 3.66Å; V310-I333 HydrophobicContact CG1-CG2 3.64Å; V310-V335 HydrophobicContact CG1-CG2 4.43Å; V310-V335 HydrophobicContact CG2-CG2 4.35Å; V310-E363 WeakPolarHBondContact O-CA 3.25Å; V310-I364 HydrophobicContact CB-CG1 4.02Å; V310-I364 HydrophobicContact CG1-CD1 3.95Å; V310-I364 HydrophobicContact CG1-CG1 3.96Å; V310-I364 PolarHBondContact O-N 2.99Å
311H95.3Very high92.5Very high21 Ų2168 Ų6810%0.09734%0.341CS..EExtended strand (participates in β ladder)trans-128.7144.4-177.6-59.7-83.8000111.7I333 V334 L361 E362 E363H311-I333 WeakPolarHBondContact O-CA 3.29Å; H311-V334 HydrophobicContact CB-CG2 4.16Å; H311-V334 PolarHBondContact N-O 2.86Å; H311-V334 PolarHBondContact O-N 3.3Å; H311-L361 HydrophobicContact CB-CB 3.95Å; H311-L361 HydrophobicContact CB-CD1 4.47Å; H311-L361 HydrophobicContact CB-CD2 3.94Å; H311-L361 HydrophobicContact CB-CG 4.34Å; H311-E362 CarbonylContact C-O 3.46Å; H311-E362 WeakPolarHBondContact CA-O 3.41Å; H311-E362 PolarHBondContact CE1-N 3Å; H311-E362 PolarHBondContact CE1-O 2.88Å; H311-E363 WeakPolarHBondContact CE1-CA 3.43Å; H311-E363 WeakPolarHBondContact CE1-CB 3.25Å; H311-E363 PolarHBondContact CE1-N 2.83Å; H311-E363 WeakPolarHBondContact ND1-CA 3.37Å; H311-E363 PolarHBondContact ND1-N 3.08Å; H311-E363 WeakPolarHBondContact NE2-CB 3.49Å; H311-E363 IonicContact NE2-OE2 2.77Å; H311-E363 PolarHBondContact NE2-OE2 3.02Å
312R95.7Very high92.4Very high78 Ų7875.8 Ų75.829%0.29438%0.377SS..EExtended strand (participates in β ladder)trans-94.2134.4163.8175.6172.855.1-125.63.5108.8T314 I333 E362 I364R312-T314 PolarHBondContact O-N 2.94Å; R312-I333 HydrophobicContact CB-CD1 3.95Å; R312-I333 HydrophobicContact CG-CD1 4.2Å; R312-E362 IonicContact CZ-OE2 2.96Å; R312-E362 VanDerWaalsContact CZ-OE2 3.26Å; R312-E362 PolarHBondContact N-O 3.19Å; R312-E362 IonicContact NE-OE2 2.71Å; R312-E362 PolarHBondContact NE-OE2 3.21Å; R312-E362 IonicContact NH2-OE1 3.94Å; R312-E362 PolarHBondContact NH2-OE1 3.29Å; R312-E362 IonicContact NH2-OE2 2.65Å; R312-E362 PolarHBondContact NH2-OE2 3.4Å; R312-E362 PolarHBondContact O-N 3.45Å; R312-I364 HydrophobicContact CB-CG2 4.11Å
313V96.2Very high92.3Very high0 Ų080.4 Ų80.40%040%0.401CS..EExtended strand (participates in β ladder)trans-75.8116176.9176.60000109.7R315 L328 K329 K330 D331 Q332 V334 F356 F360 L361V313-R315 WeakPolarHBondContact CG1-O 3.48Å; V313-L328 HydrophobicContact CG1-CB 4.38Å; V313-L328 HydrophobicContact CG2-CB 4.03Å; V313-L328 HydrophobicContact CG2-CD1 3.7Å; V313-K329 WeakPolarHBondContact CB-O 3.42Å; V313-K329 VanDerWaalsContact CG1-O 3.28Å; V313-K329 WeakPolarHBondContact CG1-O 3.17Å; V313-K330 CarbonylContact O-C 3.18Å; V313-K330 WeakPolarHBondContact O-CA 3.42Å; V313-D331 PolarHBondContact O-N 3.49Å; V313-Q332 HydrophobicContact CG2-CB 4.25Å; V313-Q332 WeakPolarHBondContact CG2-O 2.98Å; V313-Q332 PolarHBondContact N-O 2.92Å; V313-V334 HydrophobicContact CG2-CG1 4.49Å; V313-F356 HydrophobicContact CG1-CE1 3.96Å; V313-F356 HydrophobicContact CG1-CZ 3.68Å; V313-F356 HydrophobicContact CG2-CE1 4.23Å; V313-F356 HydrophobicContact CG2-CZ 4.36Å; V313-F360 CarbonylContact C-O 3.55Å; V313-F360 WeakPolarHBondContact CA-O 3.3Å; V313-L361 HydrophobicContact CG2-CD2 3.78Å
314T96.2Very high92.3Very high53 Ų5376.7 Ų76.733%0.32540%0.398SS..SBendtrans-80.5-25.7-178.762.40000112.8R312 K330 F360 E362R312-T314 PolarHBondContact O-N 2.94Å; T314-K330 WeakPolarHBondContact O-CD 3.2Å; T314-K330 WeakPolarHBondContact O-CG 3.29Å; T314-F360 PolarHBondContact N-O 2.9Å; T314-F360 VanDerWaalsContact OG1-C 3.26Å; T314-F360 WeakPolarHBondContact OG1-CA 3.19Å; T314-F360 PolarHBondContact OG1-O 2.99Å; T314-E362 HydrophobicContact CG2-CB 3.48Å; T314-E362 VanDerWaalsContact CG2-CB 3.48Å
315R94.9Very high92.4Very high157 Ų15778 Ų7859%0.59241%0.405SS*.SBendtrans-141.9133.8-178-169-178.5-63.5-154.41111.4V313 F317 F360V313-R315 WeakPolarHBondContact CG1-O 3.48Å; R315-F317 PolarHBondContact O-N 3.27Å; R315-F360 HydrophobicContact CB-CB 4.2Å; R315-F360 HydrophobicContact CB-CD1 3.9Å; R315-F360 HydrophobicContact CB-CG 3.99Å
316S95.4Very high92.7Very high73 Ų7371.1 Ų71.151%0.5138%0.38SS..  trans-61.1131170.5-58.50000110.6L328 K330S316-L328 WeakPolarHBondContact CA-O 3.44Å; S316-K330 PolarHBondContact OG-N 3.26Å
317F95.5Very high93.3Very high42 Ų4270.7 Ų70.718%0.18437%0.37CS..BIsolated β-bridgetrans-138.8140.4178.5168.1-97.8000110.2R315 G319 T327 L328 Y344 F356 P357 F360R315-F317 PolarHBondContact O-N 3.27Å; F317-G319 VanDerWaalsContact CE1-CA 3.47Å; F317-T327 VanDerWaalsContact O-CA 3.27Å; F317-T327 WeakPolarHBondContact O-CA 3.48Å; F317-L328 PolarHBondContact N-O 3.05Å; F317-L328 PolarHBondContact O-N 3Å; F317-Y344 HydrophobicContact CE1-CE1 4.48Å; F317-Y344 HydrophobicContact CZ-CE1 4.4Å; F317-F356 HydrophobicContact CB-CE2 3.67Å; F317-F356 HydrophobicContact CB-CZ 3.84Å; F317-F356 AromaticContact CD1-CD2 3.9Å; F317-F356 HydrophobicContact CD1-CD2 3.9Å; F317-F356 AromaticContact CD1-CE2 3.71Å; F317-F356 HydrophobicContact CD1-CE2 3.71Å; F317-F356 HydrophobicContact CG-CE2 4.15Å; F317-P357 HydrophobicContact CD1-CG 3.94Å; F317-P357 HydrophobicContact CD2-CG 4.22Å; F317-P357 HydrophobicContact CE1-CG 3.86Å; F317-P357 HydrophobicContact CE2-CG 4.15Å; F317-P357 HydrophobicContact CG-CG 4.12Å; F317-P357 HydrophobicContact CZ-CG 3.97Å; F317-F360 HydrophobicContact CB-CD2 3.79Å; F317-F360 HydrophobicContact CB-CE2 4.12Å; F317-F360 HydrophobicContact CD2-CD2 4.23Å; F317-F360 AromaticContact CD2-CE2 3.82Å; F317-F360 HydrophobicContact CD2-CE2 3.82Å; F317-F360 HydrophobicContact CG-CD2 4.12Å; F317-F360 HydrophobicContact CG-CE2 4.18Å
318V95.4Very high93.8Very high117 Ų11766.9 Ų66.971%0.70933%0.33SS*.  trans-104107.2179-177.40000108.2T327V318-T327 WeakPolarHBondContact CA-OG1 3.42Å; V318-T327 HydrophobicContact CB-CG2 4.4Å; V318-T327 HydrophobicContact CG1-CG2 4.45Å; V318-T327 HydrophobicContact CG2-CG2 4.12Å
319G92.7Very high94Very high10 Ų1072.1 Ų72.110%0.10335%0.352CS..  trans-87.8143.6-177.500000112.7F317 R321 T327F317-G319 VanDerWaalsContact CE1-CA 3.47Å; G319-R321 PolarHBondContact O-N 2.97Å; G319-T327 PolarHBondContact N-OG1 2.92Å
320N93.2Very high94.2Very high71 Ų7172.7 Ų72.738%0.3836%0.357SS..  trans-73.5113.3170.5-179.2-1.9000110.9E322 I323 Q325N320-E322 VanDerWaalsContact C-N 3.29Å; N320-E322 PolarHBondContact O-N 3.06Å; N320-E322 WeakPolarHBondContact OD1-CB 3.46Å; N320-E322 PolarHBondContact OD1-N 3.32Å; N320-I323 HydrophobicContact CB-CD1 4.06Å; N320-I323 HydrophobicContact CB-CG1 3.84Å; N320-I323 VanDerWaalsContact O-CG1 3.23Å; N320-I323 WeakPolarHBondContact O-CG1 3.17Å; N320-I323 PolarHBondContact O-N 2.8Å; N320-Q325 WeakPolarHBondContact O-CB 3.32Å; N320-Q325 PolarHBondContact O-N 2.91Å
321R91.1Very high94.2Very high226 Ų22676.8 Ų76.885%0.85338%0.379SS*.G310 helixtrans-66-25.8-177.5-169.9175.3176.2-172.4-2.5113.7G319 I323 G324G319-R321 PolarHBondContact O-N 2.97Å; R321-I323 VanDerWaalsContact C-N 3.35Å; R321-G324 PolarHBondContact O-N 2.9Å; R321-G324 VanDerWaalsContact O-N 3.14Å
322E90.8Very high94.1Very high179 Ų17978.5 Ų78.584%0.83639%0.387SS*.G310 helixtrans-66.2-37.9-180-61-179.9157.100112.1N320 G324N320-E322 VanDerWaalsContact C-N 3.29Å; N320-E322 PolarHBondContact O-N 3.06Å; N320-E322 WeakPolarHBondContact OD1-CB 3.46Å; N320-E322 PolarHBondContact OD1-N 3.32Å; E322-G324 VanDerWaalsContact C-N 3.27Å
323I90.7Very high94.1Very high104 Ų10475 Ų7553%0.53337%0.374SS..G310 helixtrans-90.713.6174.759.1172.6000112.6N320 R321 Q325N320-I323 HydrophobicContact CB-CD1 4.06Å; N320-I323 HydrophobicContact CB-CG1 3.84Å; N320-I323 VanDerWaalsContact O-CG1 3.23Å; N320-I323 WeakPolarHBondContact O-CG1 3.17Å; N320-I323 PolarHBondContact O-N 2.8Å; R321-I323 VanDerWaalsContact C-N 3.35Å; I323-Q325 VanDerWaalsContact C-N 3.32Å; I323-Q325 HydrophobicContact CD1-CG 4.04Å; I323-Q325 HydrophobicContact CG1-CG 4.01Å; I323-Q325 PolarHBondContact O-N 3.38Å
324G90.9Very high94.1Very high37 Ų3775.1 Ų75.138%0.38137%0.374SS..THydrogen-bonded Turntrans73.914.217700000115.4R321 E322 G354 L355R321-G324 PolarHBondContact O-N 2.9Å; R321-G324 VanDerWaalsContact O-N 3.14Å; E322-G324 VanDerWaalsContact C-N 3.27Å; G324-G354 CarbonylContact O-C 3.45Å; G324-G354 VanDerWaalsContact O-CA 3.3Å; G324-G354 WeakPolarHBondContact O-CA 3.08Å; G324-L355 PolarHBondContact O-N 3.04Å
325Q94.6Very high94Very high28 Ų2872.6 Ų72.613%0.13136%0.359CS..BIsolated β-bridgetrans-75.5161171.1-65.7173.5-5.400111.7N320 I323 Y344 L355N320-Q325 WeakPolarHBondContact O-CB 3.32Å; N320-Q325 PolarHBondContact O-N 2.91Å; I323-Q325 VanDerWaalsContact C-N 3.32Å; I323-Q325 HydrophobicContact CD1-CG 4.04Å; I323-Q325 HydrophobicContact CG1-CG 4.01Å; I323-Q325 PolarHBondContact O-N 3.38Å; Q325-Y344 HydrophobicContact CG-CD1 4.31Å; Q325-Y344 HydrophobicContact CG-CE1 4.04Å; Q325-Y344 PolarHBondContact NE2-OH 3.38Å; Q325-L355 CarbonylContact C-O 3.57Å; Q325-L355 WeakPolarHBondContact CA-O 3.24Å; Q325-L355 WeakPolarHBondContact CB-O 3.3Å; Q325-L355 HydrophobicContact CG-CB 4.12Å
326I94.9Very high94Very high12 Ų1265.6 Ų65.66%0.06233%0.333CS..  trans-126.1135.3-174-170163.4000111.9L328 V347 T349 K352 L355 F356I326-L328 HydrophobicContact CD1-CD2 4.21Å; I326-L328 HydrophobicContact CG1-CD2 4.04Å; I326-L328 HydrophobicContact CG2-CD1 4.35Å; I326-L328 HydrophobicContact CG2-CD2 4.44Å; I326-L328 HydrophobicContact CG2-CG 4.17Å; I326-V347 HydrophobicContact CG2-CG2 4.02Å; I326-T349 HydrophobicContact CD1-CG2 4.04Å; I326-K352 HydrophobicContact CD1-CB 3.93Å; I326-K352 HydrophobicContact CD1-CD 3.51Å; I326-K352 HydrophobicContact CD1-CG 3.6Å; I326-K352 HydrophobicContact CG1-CD 3.92Å; I326-L355 PolarHBondContact N-O 2.84Å; I326-F356 HydrophobicContact CG2-CB 4.02Å; I326-F356 HydrophobicContact CG2-CD2 4.07Å; I326-F356 WeakPolarHBondContact O-CD2 3.26Å
327T95.2Very high93.8Very high63 Ų6364.9 Ų64.939%0.38732%0.321SS..  trans-80.2121.9171.2-59.10000110.4F317 V318 G319 K352F317-T327 VanDerWaalsContact O-CA 3.27Å; F317-T327 WeakPolarHBondContact O-CA 3.48Å; V318-T327 WeakPolarHBondContact CA-OG1 3.42Å; V318-T327 HydrophobicContact CB-CG2 4.4Å; V318-T327 HydrophobicContact CG1-CG2 4.45Å; V318-T327 HydrophobicContact CG2-CG2 4.12Å; G319-T327 PolarHBondContact N-OG1 2.92Å; T327-K352 PolarHBondContact O-NZ 2.97Å
328L95.5Very high93.4Very high3 Ų365 Ų652%0.01633%0.334CS..BIsolated β-bridgetrans-127.1152.1174.1-53.9177.1000110.4V313 S316 F317 I326 V334 V347 T349 F356V313-L328 HydrophobicContact CG1-CB 4.38Å; V313-L328 HydrophobicContact CG2-CB 4.03Å; V313-L328 HydrophobicContact CG2-CD1 3.7Å; S316-L328 WeakPolarHBondContact CA-O 3.44Å; F317-L328 PolarHBondContact N-O 3.05Å; F317-L328 PolarHBondContact O-N 3Å; I326-L328 HydrophobicContact CD1-CD2 4.21Å; I326-L328 HydrophobicContact CG1-CD2 4.04Å; I326-L328 HydrophobicContact CG2-CD1 4.35Å; I326-L328 HydrophobicContact CG2-CD2 4.44Å; I326-L328 HydrophobicContact CG2-CG 4.17Å; L328-V334 HydrophobicContact CD1-CG1 3.74Å; L328-V334 HydrophobicContact CD2-CG1 4.38Å; L328-V347 HydrophobicContact CD1-CG2 4.04Å; L328-T349 HydrophobicContact CD2-CG2 3.5Å; L328-F356 HydrophobicContact CB-CD2 4.14Å; L328-F356 HydrophobicContact CB-CE2 3.53Å; L328-F356 HydrophobicContact CB-CZ 3.94Å; L328-F356 HydrophobicContact CD1-CB 4.38Å; L328-F356 HydrophobicContact CD1-CD1 4.14Å; L328-F356 HydrophobicContact CD1-CD2 3.53Å; L328-F356 HydrophobicContact CD1-CE1 4.27Å; L328-F356 HydrophobicContact CD1-CE2 3.7Å; L328-F356 HydrophobicContact CD1-CG 3.75Å; L328-F356 HydrophobicContact CD1-CZ 4.07Å; L328-F356 HydrophobicContact CG-CD2 3.73Å; L328-F356 HydrophobicContact CG-CE2 3.67Å; L328-F356 HydrophobicContact CG-CG 4.45Å; L328-F356 HydrophobicContact CG-CZ 4.35Å
329K95.1Very high93.1Very high143 Ų14366 Ų6662%0.62234%0.335SS*.  trans-96.2154.3173.2-63.1-174.3178.5-174.40110V313 Q332V313-K329 WeakPolarHBondContact CB-O 3.42Å; V313-K329 VanDerWaalsContact CG1-O 3.28Å; V313-K329 WeakPolarHBondContact CG1-O 3.17Å; K329-Q332 HydrophobicContact CB-CG 4.12Å; K329-Q332 WeakPolarHBondContact O-CB 3.4Å; K329-Q332 WeakPolarHBondContact O-CG 3.35Å; K329-Q332 PolarHBondContact O-N 2.92Å
330K94.9Very high93Very high108 Ų10870.6 Ų70.647%0.4735%0.354SS..THydrogen-bonded Turntrans-49.1147.6166.3-172.8178.2174-75.50111V313 T314 S316 Q332V313-K330 CarbonylContact O-C 3.18Å; V313-K330 WeakPolarHBondContact O-CA 3.42Å; T314-K330 WeakPolarHBondContact O-CD 3.2Å; T314-K330 WeakPolarHBondContact O-CG 3.29Å; S316-K330 PolarHBondContact OG-N 3.26Å; K330-Q332 PolarHBondContact O-N 2.95Å; K330-Q332 VanDerWaalsContact O-N 3.15Å
331D93.5Very high92.8Very high87 Ų8770.8 Ų70.847%0.46537%0.366SS..THydrogen-bonded Turntrans64.47.6179.5-49.2-46.9000114.9V313V313-D331 PolarHBondContact O-N 3.49Å
332Q94.4Very high92.6Very high58 Ų5863.9 Ų63.927%0.27137%0.365SS..  trans-74.2140.5168.4-68.9-167.9-41.700111.4V313 K329 K330V313-Q332 HydrophobicContact CG2-CB 4.25Å; V313-Q332 WeakPolarHBondContact CG2-O 2.98Å; V313-Q332 PolarHBondContact N-O 2.92Å; K329-Q332 HydrophobicContact CB-CG 4.12Å; K329-Q332 WeakPolarHBondContact O-CB 3.4Å; K329-Q332 WeakPolarHBondContact O-CG 3.35Å; K329-Q332 PolarHBondContact O-N 2.92Å; K330-Q332 PolarHBondContact O-N 2.95Å; K330-Q332 VanDerWaalsContact O-N 3.15Å
333I95.1Very high92.6Very high5 Ų556.7 Ų56.73%0.02634%0.339CS..EExtended strand (participates in β ladder)trans-94.5135.6175.5-51.1-55.7000109.9V253 L255 P270 V310 H311 R312 I364V253-I333 HydrophobicContact CG1-CG2 4.15Å; L255-I333 HydrophobicContact CD2-CB 4.16Å; L255-I333 HydrophobicContact CD2-CG2 4.37Å; L255-I333 WeakPolarHBondContact CD2-O 3.5Å; P270-I333 HydrophobicContact CB-CD1 4.3Å; P270-I333 HydrophobicContact CB-CG1 3.8Å; V310-I333 HydrophobicContact CG1-CG2 3.64Å; H311-I333 WeakPolarHBondContact O-CA 3.29Å; R312-I333 HydrophobicContact CB-CD1 3.95Å; R312-I333 HydrophobicContact CG-CD1 4.2Å; I333-I364 HydrophobicContact CD1-CD1 4.03Å; I333-I364 HydrophobicContact CG2-CD1 4.26Å
334V95.3Very high92.8Very high1 Ų155.1 Ų55.11%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-140.3151.7178.8-60.40000111.7H311 V313 L328 V347 T349 L361H311-V334 HydrophobicContact CB-CG2 4.16Å; H311-V334 PolarHBondContact N-O 2.86Å; H311-V334 PolarHBondContact O-N 3.3Å; V313-V334 HydrophobicContact CG2-CG1 4.49Å; L328-V334 HydrophobicContact CD1-CG1 3.74Å; L328-V334 HydrophobicContact CD2-CG1 4.38Å; V334-V347 HydrophobicContact CB-CB 4.02Å; V334-V347 HydrophobicContact CG2-CB 3.86Å; V334-V347 HydrophobicContact CG2-CG1 3.9Å; V334-V347 HydrophobicContact CG2-CG2 4.36Å; V334-T349 HydrophobicContact CG1-CG2 3.81Å; V334-L361 HydrophobicContact CG2-CD2 3.86Å
335V95Very high93Very high0 Ų053.6 Ų53.60%031%0.31CS..EExtended strand (participates in β ladder)trans-104.5126.1175.81780000109.4I302 V304 E308 R309 V310 K337 V347 Y348I302-V335 HydrophobicContact CB-CG2 4.47Å; I302-V335 HydrophobicContact CD1-CB 4.16Å; I302-V335 HydrophobicContact CD1-CG2 3.62Å; I302-V335 HydrophobicContact CG1-CG2 3.86Å; I302-V335 HydrophobicContact CG2-CG2 3.76Å; V304-V335 HydrophobicContact CG1-CG1 4.37Å; V304-V335 HydrophobicContact CG2-CG2 3.94Å; E308-V335 HydrophobicContact CB-CG1 3.86Å; R309-V335 WeakPolarHBondContact O-CA 3.35Å; V310-V335 HydrophobicContact CG1-CG2 4.43Å; V310-V335 HydrophobicContact CG2-CG2 4.35Å; V335-K337 HydrophobicContact CG1-CD 4.22Å; V335-V347 CarbonylContact O-C 3.56Å; V335-V347 WeakPolarHBondContact O-CA 3.49Å; V335-Y348 PolarHBondContact N-O 2.87Å; V335-Y348 PolarHBondContact O-N 3.03Å
336Q94.7Very high93Very high10 Ų1057.2 Ų57.25%0.04733%0.325CS..EExtended strand (participates in β ladder)trans-67.5133.3173.1171.7167.94.800110.6R309 G338 V345R309-Q336 HydrophobicContact CB-CB 4.25Å; R309-Q336 PolarHBondContact O-N 2.89Å; Q336-G338 WeakPolarHBondContact CG-O 3.33Å; Q336-G338 PolarHBondContact NE2-O 3.02Å; Q336-V345 HydrophobicContact CB-CG2 4.27Å; Q336-V345 HydrophobicContact CG-CG2 3.49Å; Q336-V345 VanDerWaalsContact CG-CG2 3.49Å; Q336-V345 VanDerWaalsContact NE2-CG2 3.33Å
337K91.3Very high93Very high58 Ų5856.6 Ų56.625%0.25232%0.322SS..EExtended strand (participates in β ladder)trans-128.476.9-177.6-62-61.1-170.9-175.70110.6E308 V335 K346E308-K337 HydrophobicContact CG-CD 4.5Å; E308-K337 IonicContact OE1-NZ 2.84Å; E308-K337 PolarHBondContact OE1-NZ 2.84Å; E308-K337 IonicContact OE2-NZ 3.28Å; E308-K337 PolarHBondContact OE2-NZ 2.84Å; V335-K337 HydrophobicContact CG1-CD 4.22Å; K337-K346 PolarHBondContact N-O 3.21Å
338G87.4Confident93Very high46 Ų4657.4 Ų57.447%0.47432%0.319SS..EExtended strand (participates in β ladder)trans106.7174.3-176.900000112.3Q336Q336-G338 WeakPolarHBondContact CG-O 3.33Å; Q336-G338 PolarHBondContact NE2-O 3.02Å
339D88.6Confident92.8Very high136 Ų13658 Ų5873%0.72732%0.322SS*.EExtended strand (participates in β ladder)trans-74.4166.2-173.2-55.5-68.6000113.5
340E91.1Very high92.4Very high107 Ų10752.4 Ų52.450%0.531%0.305SS..EExtended strand (participates in β ladder)trans-78.1136.4174.5-169-171.2142.900110.5G343 V345 A358E340-G343 WeakPolarHBondContact OE1-CA 3.35Å; E340-V345 HydrophobicContact CB-CB 4.49Å; E340-V345 HydrophobicContact CG-CB 4.42Å; E340-A358 VanDerWaalsContact CD-CB 3.48Å; E340-A358 HydrophobicContact CG-CB 4.1Å
341A88.4Confident92.1Very high75 Ų7556.2 Ų56.262%0.6232%0.317SS*.EExtended strand (participates in β ladder)trans-137.1117.517700000110.2G343 Y344A341-G343 PolarHBondContact O-N 2.92Å; A341-Y344 PolarHBondContact N-O 3.45Å; A341-Y344 PolarHBondContact O-N 3.31Å
342G86.9Confident92Very high81 Ų8156.2 Ų56.284%0.83531%0.313SS*.THydrogen-bonded Turntrans63.336.8176.300000114.6Y344G342-Y344 WeakPolarHBondContact O-CD2 3.42Å; G342-Y344 PolarHBondContact O-N 3.3Å
343G90.9Very high91.9Very high28 Ų2857.5 Ų57.529%0.28932%0.324SS..THydrogen-bonded Turntrans77.60.4-177.300000114.6E340 A341 P357 A358E340-G343 WeakPolarHBondContact OE1-CA 3.35Å; A341-G343 PolarHBondContact O-N 2.92Å; G343-P357 WeakPolarHBondContact O-CA 3.26Å; G343-A358 PolarHBondContact O-N 3.05Å
344Y94.4Very high91.9Very high72 Ų7257.6 Ų57.628%0.28233%0.326SS..EExtended strand (participates in β ladder)trans-113.4139.6174.7-72-96.7000110.9F317 Q325 A341 G342 L355 F356 P357F317-Y344 HydrophobicContact CE1-CE1 4.48Å; F317-Y344 HydrophobicContact CZ-CE1 4.4Å; Q325-Y344 HydrophobicContact CG-CD1 4.31Å; Q325-Y344 HydrophobicContact CG-CE1 4.04Å; Q325-Y344 PolarHBondContact NE2-OH 3.38Å; A341-Y344 PolarHBondContact N-O 3.45Å; A341-Y344 PolarHBondContact O-N 3.31Å; G342-Y344 WeakPolarHBondContact O-CD2 3.42Å; G342-Y344 PolarHBondContact O-N 3.3Å; Y344-L355 HydrophobicContact CD1-CB 4.26Å; Y344-F356 WeakPolarHBondContact CA-O 3.18Å; Y344-P357 HydrophobicContact CD1-CG 4.21Å; Y344-P357 HydrophobicContact CE1-CB 4.43Å; Y344-P357 HydrophobicContact CE1-CG 3.65Å
345V95.3Very high91.9Very high4 Ų460.6 Ų60.62%0.02434%0.342CS..EExtended strand (participates in β ladder)trans-119.5142.7174.954.90000109.8Q336 E340 V347 F356 A358 L361Q336-V345 HydrophobicContact CB-CG2 4.27Å; Q336-V345 HydrophobicContact CG-CG2 3.49Å; Q336-V345 VanDerWaalsContact CG-CG2 3.49Å; Q336-V345 VanDerWaalsContact NE2-CG2 3.33Å; E340-V345 HydrophobicContact CB-CB 4.49Å; E340-V345 HydrophobicContact CG-CB 4.42Å; V345-V347 HydrophobicContact CG1-CG1 4.07Å; V345-V347 HydrophobicContact CG2-CG1 4.43Å; V345-V347 PolarHBondContact O-N 2.98Å; V345-F356 WeakPolarHBondContact CG1-O 3.22Å; V345-F356 PolarHBondContact N-O 3.46Å; V345-F356 PolarHBondContact O-N 2.86Å; V345-A358 HydrophobicContact CG1-CB 4.31Å; V345-L361 HydrophobicContact CG1-CD1 3.31Å
346K95.1Very high91.9Very high104 Ų10460.6 Ų60.645%0.45234%0.342SS..EExtended strand (participates in β ladder)trans-80.8118.1177.3-170.2174.6-171.4172.40109.6K337 V353 G354 L355K337-K346 PolarHBondContact N-O 3.21Å; K346-V353 HydrophobicContact CD-CG2 4.45Å; K346-V353 HydrophobicContact CG-CG2 4.03Å; K346-G354 WeakPolarHBondContact CA-O 3.32Å; K346-L355 HydrophobicContact CB-CD2 4.1Å
347V95.4Very high92Very high0 Ų060.5 Ų60.50%034%0.342CS..EExtended strand (participates in β ladder)trans-121.8153.2-175.9-62.90000111.9I326 L328 V334 V335 V345 V353 G354 F356 L361I326-V347 HydrophobicContact CG2-CG2 4.02Å; L328-V347 HydrophobicContact CD1-CG2 4.04Å; V334-V347 HydrophobicContact CB-CB 4.02Å; V334-V347 HydrophobicContact CG2-CB 3.86Å; V334-V347 HydrophobicContact CG2-CG1 3.9Å; V334-V347 HydrophobicContact CG2-CG2 4.36Å; V335-V347 CarbonylContact O-C 3.56Å; V335-V347 WeakPolarHBondContact O-CA 3.49Å; V345-V347 HydrophobicContact CG1-CG1 4.07Å; V345-V347 HydrophobicContact CG2-CG1 4.43Å; V345-V347 PolarHBondContact O-N 2.98Å; V347-V353 WeakPolarHBondContact O-CA 3.48Å; V347-V353 WeakPolarHBondContact O-CG2 3.12Å; V347-G354 PolarHBondContact N-O 2.79Å; V347-G354 PolarHBondContact O-N 2.59Å; V347-G354 VanDerWaalsContact O-N 3.09Å; V347-F356 HydrophobicContact CG2-CB 3.61Å; V347-F356 HydrophobicContact CG2-CG 4.45Å; V347-L361 HydrophobicContact CG1-CD1 3.86Å
348Y94.4Very high92.1Very high80 Ų8058.7 Ų58.731%0.31434%0.338SS..EExtended strand (participates in β ladder)trans-129.4127.8-179175.1-123000111I302 V335 G350 K352 V353I302-Y348 HydrophobicContact CD1-CD1 3.73Å; I302-Y348 HydrophobicContact CD1-CE1 3.98Å; I302-Y348 HydrophobicContact CG1-CE1 4.49Å; V335-Y348 PolarHBondContact N-O 2.87Å; V335-Y348 PolarHBondContact O-N 3.03Å; Y348-G350 VanDerWaalsContact CZ-C 3.48Å; Y348-G350 VanDerWaalsContact CZ-CA 3.43Å; Y348-G350 PolarHBondContact OH-O 3.45Å; Y348-K352 WeakPolarHBondContact CA-O 3.25Å; Y348-K352 WeakPolarHBondContact CD2-O 3.45Å; Y348-V353 HydrophobicContact CD2-CB 4.16Å
349T92Very high92.5Very high14 Ų1463 Ų639%0.08635%0.35CS..  trans-100.916.1-17485.60000113.3I326 L328 V334 R351 K352I326-T349 HydrophobicContact CD1-CG2 4.04Å; L328-T349 HydrophobicContact CD2-CG2 3.5Å; V334-T349 HydrophobicContact CG1-CG2 3.81Å; T349-R351 PolarHBondContact O-N 3.18Å; T349-R351 VanDerWaalsContact O-N 3.12Å; T349-K352 HydrophobicContact CG2-CG 3.96Å; T349-K352 PolarHBondContact N-O 2.97Å; T349-K352 VanDerWaalsContact OG1-CG 3.23Å; T349-K352 WeakPolarHBondContact OG1-CG 3.49Å
350G86.8Confident92.9Very high26 Ų2658.6 Ų58.627%0.26833%0.325SS..SBendtrans81.2-28.6-169.300000114.1Y348Y348-G350 VanDerWaalsContact CZ-C 3.48Å; Y348-G350 VanDerWaalsContact CZ-CA 3.43Å; Y348-G350 PolarHBondContact OH-O 3.45Å
351R87.9Confident93.1Very high188 Ų18854.7 Ų54.771%0.70931%0.307SS*.SBendtrans-114.2-36.9179.7-54.2-174.4-165.3-172.23.5113.9T349T349-R351 PolarHBondContact O-N 3.18Å; T349-R351 VanDerWaalsContact O-N 3.12Å
352K90.8Very high93.4Very high88 Ų8855.2 Ų55.238%0.38330%0.296SS..  trans-134.2149.5-173.946.8170.3-167.3176.80110.6I326 T327 Y348 T349I326-K352 HydrophobicContact CD1-CB 3.93Å; I326-K352 HydrophobicContact CD1-CD 3.51Å; I326-K352 HydrophobicContact CD1-CG 3.6Å; I326-K352 HydrophobicContact CG1-CD 3.92Å; T327-K352 PolarHBondContact O-NZ 2.97Å; Y348-K352 WeakPolarHBondContact CA-O 3.25Å; Y348-K352 WeakPolarHBondContact CD2-O 3.45Å; T349-K352 HydrophobicContact CG2-CG 3.96Å; T349-K352 PolarHBondContact N-O 2.97Å; T349-K352 VanDerWaalsContact OG1-CG 3.23Å; T349-K352 WeakPolarHBondContact OG1-CG 3.49Å
353V93.2Very high93.7Very high85 Ų8556.8 Ų56.852%0.51528%0.282SS..EExtended strand (participates in β ladder)trans-124.1142177.962.90000109.3K346 V347 Y348K346-V353 HydrophobicContact CD-CG2 4.45Å; K346-V353 HydrophobicContact CG-CG2 4.03Å; V347-V353 WeakPolarHBondContact O-CA 3.48Å; V347-V353 WeakPolarHBondContact O-CG2 3.12Å; Y348-V353 HydrophobicContact CD2-CB 4.16Å
354G94.4Very high93.7Very high6 Ų658.4 Ų58.46%0.06228%0.284CS..EExtended strand (participates in β ladder)trans-178.4-180175.700000112.7G324 K346 V347G324-G354 CarbonylContact O-C 3.45Å; G324-G354 VanDerWaalsContact O-CA 3.3Å; G324-G354 WeakPolarHBondContact O-CA 3.08Å; K346-G354 WeakPolarHBondContact CA-O 3.32Å; V347-G354 PolarHBondContact N-O 2.79Å; V347-G354 PolarHBondContact O-N 2.59Å; V347-G354 VanDerWaalsContact O-N 3.09Å
355L95.1Very high93.7Very high65 Ų6557.8 Ų57.834%0.3428%0.284SS..EExtended strand (participates in β ladder)trans-85.1133.3178.5-64173.2000111.1G324 Q325 I326 Y344 K346G324-L355 PolarHBondContact O-N 3.04Å; Q325-L355 CarbonylContact C-O 3.57Å; Q325-L355 WeakPolarHBondContact CA-O 3.24Å; Q325-L355 WeakPolarHBondContact CB-O 3.3Å; Q325-L355 HydrophobicContact CG-CB 4.12Å; I326-L355 PolarHBondContact N-O 2.84Å; Y344-L355 HydrophobicContact CD1-CB 4.26Å; K346-L355 HydrophobicContact CB-CD2 4.1Å
356F96.4Very high93.6Very high0 Ų060.6 Ų60.60%030%0.297CS..EExtended strand (participates in β ladder)trans-136.2143.9179-165-100.5000110.2V313 F317 I326 L328 Y344 V345 V347 A358 F360 L361V313-F356 HydrophobicContact CG1-CE1 3.96Å; V313-F356 HydrophobicContact CG1-CZ 3.68Å; V313-F356 HydrophobicContact CG2-CE1 4.23Å; V313-F356 HydrophobicContact CG2-CZ 4.36Å; F317-F356 HydrophobicContact CB-CE2 3.67Å; F317-F356 HydrophobicContact CB-CZ 3.84Å; F317-F356 AromaticContact CD1-CD2 3.9Å; F317-F356 HydrophobicContact CD1-CD2 3.9Å; F317-F356 AromaticContact CD1-CE2 3.71Å; F317-F356 HydrophobicContact CD1-CE2 3.71Å; F317-F356 HydrophobicContact CG-CE2 4.15Å; I326-F356 HydrophobicContact CG2-CB 4.02Å; I326-F356 HydrophobicContact CG2-CD2 4.07Å; I326-F356 WeakPolarHBondContact O-CD2 3.26Å; L328-F356 HydrophobicContact CB-CD2 4.14Å; L328-F356 HydrophobicContact CB-CE2 3.53Å; L328-F356 HydrophobicContact CB-CZ 3.94Å; L328-F356 HydrophobicContact CD1-CB 4.38Å; L328-F356 HydrophobicContact CD1-CD1 4.14Å; L328-F356 HydrophobicContact CD1-CD2 3.53Å; L328-F356 HydrophobicContact CD1-CE1 4.27Å; L328-F356 HydrophobicContact CD1-CE2 3.7Å; L328-F356 HydrophobicContact CD1-CG 3.75Å; L328-F356 HydrophobicContact CD1-CZ 4.07Å; L328-F356 HydrophobicContact CG-CD2 3.73Å; L328-F356 HydrophobicContact CG-CE2 3.67Å; L328-F356 HydrophobicContact CG-CG 4.45Å; L328-F356 HydrophobicContact CG-CZ 4.35Å; Y344-F356 WeakPolarHBondContact CA-O 3.18Å; V345-F356 WeakPolarHBondContact CG1-O 3.22Å; V345-F356 PolarHBondContact N-O 3.46Å; V345-F356 PolarHBondContact O-N 2.86Å; V347-F356 HydrophobicContact CG2-CB 3.61Å; V347-F356 HydrophobicContact CG2-CG 4.45Å; F356-A358 PolarHBondContact O-N 3.23Å; F356-F360 HydrophobicContact CE1-CB 3.61Å; F356-F360 HydrophobicContact CZ-CB 4.09Å; F356-L361 HydrophobicContact CD1-CD1 3.98Å; F356-L361 HydrophobicContact CD1-CD2 3.67Å; F356-L361 HydrophobicContact CD1-CG 3.7Å; F356-L361 HydrophobicContact CE1-CD2 3.79Å; F356-L361 HydrophobicContact CE1-CG 4.02Å
357P95.5Very high93.5Very high7 Ų758.2 Ų58.25%0.04529%0.289CS..EExtended strand (participates in β ladder)trans-60.1133.1179.2-22.533.1000111.9F317 G343 Y344 D359 F360F317-P357 HydrophobicContact CD1-CG 3.94Å; F317-P357 HydrophobicContact CD2-CG 4.22Å; F317-P357 HydrophobicContact CE1-CG 3.86Å; F317-P357 HydrophobicContact CE2-CG 4.15Å; F317-P357 HydrophobicContact CG-CG 4.12Å; F317-P357 HydrophobicContact CZ-CG 3.97Å; G343-P357 WeakPolarHBondContact O-CA 3.26Å; Y344-P357 HydrophobicContact CD1-CG 4.21Å; Y344-P357 HydrophobicContact CE1-CB 4.43Å; Y344-P357 HydrophobicContact CE1-CG 3.65Å; P357-D359 VanDerWaalsContact C-N 3.31Å; P357-D359 PolarHBondContact O-N 2.86Å; P357-F360 HydrophobicContact CB-CD2 3.78Å; P357-F360 HydrophobicContact CB-CE2 4.16Å; P357-F360 HydrophobicContact CB-CG 4.3Å; P357-F360 HydrophobicContact CG-CD2 3.76Å; P357-F360 HydrophobicContact CG-CE2 4Å; P357-F360 PolarHBondContact O-N 2.88Å
358A94.8Very high93.4Very high21 Ų2161.6 Ų61.617%0.17431%0.306CS..G310 helixtrans-64.6-36.1176.800000111.7E340 G343 V345 F356 F360 L361E340-A358 VanDerWaalsContact CD-CB 3.48Å; E340-A358 HydrophobicContact CG-CB 4.1Å; G343-A358 PolarHBondContact O-N 3.05Å; V345-A358 HydrophobicContact CG1-CB 4.31Å; F356-A358 PolarHBondContact O-N 3.23Å; A358-F360 PolarHBondContact O-N 3.28Å; A358-L361 PolarHBondContact O-N 2.95Å
359D95Very high93.3Very high136 Ų13660.4 Ų60.473%0.72731%0.305SS*.G310 helixtrans-55.6-21.6176.4-59.4-30.3000114.5P357P357-D359 VanDerWaalsContact C-N 3.31Å; P357-D359 PolarHBondContact O-N 2.86Å
360F96Very high93.4Very high44 Ų4463.5 Ų63.519%0.19332%0.32CS..G310 helixtrans-104.417.3-178.4-57.2-25.8000112.8V313 T314 R315 F317 F356 P357 A358V313-F360 CarbonylContact C-O 3.55Å; V313-F360 WeakPolarHBondContact CA-O 3.3Å; T314-F360 PolarHBondContact N-O 2.9Å; T314-F360 VanDerWaalsContact OG1-C 3.26Å; T314-F360 WeakPolarHBondContact OG1-CA 3.19Å; T314-F360 PolarHBondContact OG1-O 2.99Å; R315-F360 HydrophobicContact CB-CB 4.2Å; R315-F360 HydrophobicContact CB-CD1 3.9Å; R315-F360 HydrophobicContact CB-CG 3.99Å; F317-F360 HydrophobicContact CB-CD2 3.79Å; F317-F360 HydrophobicContact CB-CE2 4.12Å; F317-F360 HydrophobicContact CD2-CD2 4.23Å; F317-F360 AromaticContact CD2-CE2 3.82Å; F317-F360 HydrophobicContact CD2-CE2 3.82Å; F317-F360 HydrophobicContact CG-CD2 4.12Å; F317-F360 HydrophobicContact CG-CE2 4.18Å; F356-F360 HydrophobicContact CE1-CB 3.61Å; F356-F360 HydrophobicContact CZ-CB 4.09Å; P357-F360 HydrophobicContact CB-CD2 3.78Å; P357-F360 HydrophobicContact CB-CE2 4.16Å; P357-F360 HydrophobicContact CB-CG 4.3Å; P357-F360 HydrophobicContact CG-CD2 3.76Å; P357-F360 HydrophobicContact CG-CE2 4Å; P357-F360 PolarHBondContact O-N 2.88Å; A358-F360 PolarHBondContact O-N 3.28Å
361L95.6Very high93.9Very high24 Ų2466.2 Ų66.213%0.12632%0.324CS..EExtended strand (participates in β ladder)trans-124.5143179.2-64.8174.1000111.2H311 V313 V334 V345 V347 F356 A358H311-L361 HydrophobicContact CB-CB 3.95Å; H311-L361 HydrophobicContact CB-CD1 4.47Å; H311-L361 HydrophobicContact CB-CD2 3.94Å; H311-L361 HydrophobicContact CB-CG 4.34Å; V313-L361 HydrophobicContact CG2-CD2 3.78Å; V334-L361 HydrophobicContact CG2-CD2 3.86Å; V345-L361 HydrophobicContact CG1-CD1 3.31Å; V347-L361 HydrophobicContact CG1-CD1 3.86Å; F356-L361 HydrophobicContact CD1-CD1 3.98Å; F356-L361 HydrophobicContact CD1-CD2 3.67Å; F356-L361 HydrophobicContact CD1-CG 3.7Å; F356-L361 HydrophobicContact CE1-CD2 3.79Å; F356-L361 HydrophobicContact CE1-CG 4.02Å; A358-L361 PolarHBondContact O-N 2.95Å
362E95.6Very high94.4Very high86 Ų8656.8 Ų56.840%0.40229%0.294SS..EExtended strand (participates in β ladder)trans-128.4125.6177.2177.2-170-170.500107.9H311 R312 T314H311-E362 CarbonylContact C-O 3.46Å; H311-E362 WeakPolarHBondContact CA-O 3.41Å; H311-E362 PolarHBondContact CE1-N 3Å; H311-E362 PolarHBondContact CE1-O 2.88Å; R312-E362 IonicContact CZ-OE2 2.96Å; R312-E362 VanDerWaalsContact CZ-OE2 3.26Å; R312-E362 PolarHBondContact N-O 3.19Å; R312-E362 IonicContact NE-OE2 2.71Å; R312-E362 PolarHBondContact NE-OE2 3.21Å; R312-E362 IonicContact NH2-OE1 3.94Å; R312-E362 PolarHBondContact NH2-OE1 3.29Å; R312-E362 IonicContact NH2-OE2 2.65Å; R312-E362 PolarHBondContact NH2-OE2 3.4Å; R312-E362 PolarHBondContact O-N 3.45Å; T314-E362 HydrophobicContact CG2-CB 3.48Å; T314-E362 VanDerWaalsContact CG2-CB 3.48Å
363E93.8Very high94.7Very high115 Ų11554.3 Ų54.354%0.53729%0.287SS..EExtended strand (participates in β ladder)trans-75145.6-178.5-168168.516700112.6R309 V310 H311R309-E363 VanDerWaalsContact CD-OE1 3.31Å; R309-E363 WeakPolarHBondContact CD-OE1 2.94Å; R309-E363 WeakPolarHBondContact CD-OE2 3.11Å; R309-E363 IonicContact NE-OE2 3.26Å; V310-E363 WeakPolarHBondContact O-CA 3.25Å; H311-E363 WeakPolarHBondContact CE1-CA 3.43Å; H311-E363 WeakPolarHBondContact CE1-CB 3.25Å; H311-E363 PolarHBondContact CE1-N 2.83Å; H311-E363 WeakPolarHBondContact ND1-CA 3.37Å; H311-E363 PolarHBondContact ND1-N 3.08Å; H311-E363 WeakPolarHBondContact NE2-CB 3.49Å; H311-E363 IonicContact NE2-OE2 2.77Å; H311-E363 PolarHBondContact NE2-OE2 3.02Å
364I90.6Very high94.8Very high62 Ų6251.5 Ų51.532%0.31827%0.266SS..  trans-135.80-172.460.3162000116.3G271 K273 V310 R312 I333G271-I364 VanDerWaalsContact CA-CD1 3.45Å; K273-I364 VanDerWaalsContact NZ-C 3.27Å; K273-I364 PolarHBondContact NZ-O 3.34Å; K273-I364 PolarHBondContact NZ-OXT 2.85Å; V310-I364 HydrophobicContact CB-CG1 4.02Å; V310-I364 HydrophobicContact CG1-CD1 3.95Å; V310-I364 HydrophobicContact CG1-CG1 3.96Å; V310-I364 PolarHBondContact O-N 2.99Å; R312-I364 HydrophobicContact CB-CG2 4.11Å; I333-I364 HydrophobicContact CD1-CD1 4.03Å; I333-I364 HydrophobicContact CG2-CD1 4.26Å

Retrieved 364 of 364 residues in 226.4 ms (Link to these results)