Q99PF1_MOUSE Loading...

Mageb3 protein

AlphaFold DB , UniProt , Accession Q99PF1, Species MOUSE (Mus musculus, Mouse), Gene Mageb3, Length 330 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.3Very low53.7Low227 Ų227148.4 Ų148.4100%1.11875%0.749SS**  0119.40-73.6-171165.200110
2P49.3Very low54.4Low134 Ų134152.3 Ų152.387%0.8775%0.748SS**  trans-111.8108.4167.532.9-18.7000110.3
3R55.3Low54.9Low243 Ų243144.8 Ų144.892%0.91773%0.726SS**  trans-111.5113.3171.2-83.5-179.2173.1169.2-1.9108.2
4G49.8Very low55.4Low52 Ų52146.3 Ų146.354%0.53673%0.725SS.*SBendtrans170.4-20.8167.400000119.1
5Q52.9Low55.7Low181 Ų181150.1 Ų150.185%0.84673%0.728SS**SBendtrans-95.7-17.5-171.3-70.2-152.4-23.600116.1S7Q5-S7 PolarHBondContact O-N 3.49Å
6K54.5Low56Low191 Ų191149.1 Ų149.183%0.8372%0.722SS**Hα-helixtrans-78.1-17.3-176.8-66.7-174.9178-178.10114.7S9K6-S9 PolarHBondContact O-OG 3.42Å
7S57.6Low56Low84 Ų84148.4 Ų148.459%0.58772%0.717SS**Hα-helixtrans-80.4-34.7179.9650000113Q5 S11Q5-S7 PolarHBondContact O-N 3.49Å; S7-S11 PolarHBondContact O-N 3.35Å; S7-S11 PolarHBondContact O-OG 3.07Å
8K57.5Low55.5Low161 Ų161143.6 Ų143.670%0.770%0.701SS**Hα-helixtrans-71.3-33.9-177.6-71.9-178176.9176.50113.3S11 R12K8-S11 WeakPolarHBondContact CA-OG 3.46Å; K8-S11 PolarHBondContact O-OG 3.23Å; K8-R12 PolarHBondContact O-N 3.28Å
9S57.2Low55.2Low78 Ų78146.7 Ų146.755%0.54571%0.705SS.*Hα-helixtrans-69.1-38.9177.6560000112K6 S11 R12 A13K6-S9 PolarHBondContact O-OG 3.42Å; S9-S11 PolarHBondContact O-N 2.86Å; S9-R12 PolarHBondContact O-N 3.48Å; S9-A13 PolarHBondContact O-N 3.33Å; S9-A13 VanDerWaalsContact O-N 3.07Å
10R61.8Low54.8Low209 Ų209149.8 Ų149.879%0.78971%0.709SS**Hα-helixtrans-66.8-37.2-179.7-142.9176.1-171.7-174.21.9112.6K14R10-K14 PolarHBondContact O-N 3.16Å
11S57.8Low54.3Low72 Ų72149.8 Ų149.850%0.50371%0.709SS.*Hα-helixtrans-67.8-33.5173.838.50000113.3S7 K8 S9 R15S7-S11 PolarHBondContact O-N 3.35Å; S7-S11 PolarHBondContact O-OG 3.07Å; K8-S11 WeakPolarHBondContact CA-OG 3.46Å; K8-S11 PolarHBondContact O-OG 3.23Å; S9-S11 PolarHBondContact O-N 2.86Å; S11-R15 PolarHBondContact O-N 3.37Å
12R62Low54.7Low195 Ų195145.2 Ų145.274%0.73669%0.693SS**Hα-helixtrans-76-35.9-179.6-144.9175.8-174.3-172.81111.9K8 S9 R15 Q16K8-R12 PolarHBondContact O-N 3.28Å; S9-R12 PolarHBondContact O-N 3.48Å; R12-R15 PolarHBondContact O-N 3.15Å; R12-Q16 PolarHBondContact O-N 3.24Å
13A61Low54.2Low55 Ų55146.9 Ų146.946%0.45569%0.689SS.*Hα-helixtrans-64.1-42.9172.800000112.2S9 R15 Q16 Q17S9-A13 PolarHBondContact O-N 3.33Å; S9-A13 VanDerWaalsContact O-N 3.07Å; A13-R15 VanDerWaalsContact C-N 3.3Å; A13-R15 PolarHBondContact O-N 3.4Å; A13-Q16 PolarHBondContact O-N 2.97Å; A13-Q16 VanDerWaalsContact O-N 3.15Å; A13-Q17 PolarHBondContact O-N 3.49Å
14K61.1Low53.6Low166 Ų166141.2 Ų141.272%0.72268%0.681SS**Hα-helixtrans-65.3-31-179.9-157.6168.5-176.2178.50113.2R10 S18R10-K14 PolarHBondContact O-N 3.16Å; K14-S18 PolarHBondContact O-N 3.37Å
15R59.6Low52.8Low204 Ų204145.3 Ų145.377%0.7770%0.696SS**Hα-helixtrans-73.4-26.8174.3-106.9-177.4167.9-165.9-3.4114.1S11 R12 A13 S18S11-R15 PolarHBondContact O-N 3.37Å; R12-R15 PolarHBondContact O-N 3.15Å; A13-R15 VanDerWaalsContact C-N 3.3Å; A13-R15 PolarHBondContact O-N 3.4Å; R15-S18 PolarHBondContact O-OG 3.19Å
16Q60.9Low52.2Low134 Ų134145.3 Ų145.363%0.62670%0.695SS**Hα-helixtrans-81.8-30.2176.9-75.1-177.4-15.900112R12 A13 R19 R20R12-Q16 PolarHBondContact O-N 3.24Å; A13-Q16 PolarHBondContact O-N 2.97Å; A13-Q16 VanDerWaalsContact O-N 3.15Å; Q16-R19 PolarHBondContact O-N 3.14Å; Q16-R20 PolarHBondContact O-N 2.97Å
17Q56.5Low51.2Low136 Ų136142.2 Ų142.264%0.63670%0.695SS**Hα-helixtrans-70.5-42177.3-160.4157.2-900111.9A13 R19 R20 E21A13-Q17 PolarHBondContact O-N 3.49Å; Q17-R19 PolarHBondContact O-N 3.18Å; Q17-R20 PolarHBondContact O-N 3.03Å; Q17-R20 VanDerWaalsContact O-N 3.16Å; Q17-E21 PolarHBondContact O-N 3.03Å
18S46.8Very low49.7Very low63 Ų63144.3 Ų144.344%0.44171%0.705SS.*Hα-helixtrans-66.9-21.6174.865.30000113.8K14 R15 V22K14-S18 PolarHBondContact O-N 3.37Å; R15-S18 PolarHBondContact O-OG 3.19Å; S18-V22 WeakPolarHBondContact O-CG2 3.38Å
19R50.1Low48.6Very low202 Ų202141 Ų14176%0.76271%0.707SS**Hα-helixtrans-79.7-23.8175.8-169.2174.3-179.1-166.60.4112.6Q16 Q17Q16-R19 PolarHBondContact O-N 3.14Å; Q17-R19 PolarHBondContact O-N 3.18Å
20R46.8Very low47.5Very low208 Ų208146.5 Ų146.579%0.78572%0.724SS**Hα-helixtrans-82.3-28.5175.8-75.1-175.6174.7174.1-1.9112.6Q16 Q17Q16-R20 PolarHBondContact O-N 2.97Å; Q17-R20 PolarHBondContact O-N 3.03Å; Q17-R20 VanDerWaalsContact O-N 3.16Å
21E44.6Very low46Very low151 Ų151145.7 Ų145.771%0.70673%0.729SS**Hα-helixtrans-76.1-19.8179.2-80.4175.2164.300114.5Q17 Q23Q17-E21 PolarHBondContact O-N 3.03Å; E21-Q23 VanDerWaalsContact C-N 3.33Å
22V44.6Very low44.7Very low130 Ų130147 Ų14779%0.78874%0.744SS**THydrogen-bonded Turntrans-88.2-1.8-179.7-1770000112.5S18S18-V22 WeakPolarHBondContact O-CG2 3.38Å
23Q39.9Very low43Very low170 Ų170141.1 Ų141.179%0.79475%0.745SS**THydrogen-bonded Turntrans-108.119.7-172.8-138.3165.524.700114.7E21E21-Q23 VanDerWaalsContact C-N 3.33Å
24V42.8Very low41.6Very low124 Ų124144.4 Ų144.475%0.75276%0.764SS**  trans-129.876.5173.3-173.20000110.1
25V33.5Very low40.3Very low138 Ų138141.9 Ų141.984%0.83677%0.767SS**  trans-153.4100.1146.7-172.80000107.8
26Q38.7Very low39.9Very low180 Ų180137.3 Ų137.384%0.84176%0.764SS**PPolyproline II helixtrans-84147.9153.8-72.7-179.5-2.600107.9
27P33.5Very low38.5Very low126 Ų126137.1 Ų137.182%0.81877%0.772SS**PPolyproline II helixtrans-102.2121.715529.5-17.1000110.6
28T26.1Very low37.1Very low129 Ų129136.9 Ų136.979%0.79178%0.775SS**PPolyproline II helixtrans-58145.1165.5-49.10000111.2
29A35.9Very low36.4Very low91 Ų91141.2 Ų141.275%0.75279%0.792SS**PPolyproline II helixtrans-82.5135.6168.500000110.5
30E32.4Very low35.5Very low194 Ų194136.8 Ų136.891%0.90779%0.792SS**  trans-153.2134.4153.5-106.7179.8-178.400110.3
31E30.3Very low34.7Very low192 Ų192131.8 Ų131.890%0.89780%0.795SS**  trans-64151.7164.5-80.4-161.9133.400111.5
32A31.3Very low33.8Very low99 Ų99127.9 Ų127.982%0.81880%0.796SS**  168.8125.3115.200000112
33G27.1Very low33.4Very low72 Ų72128 Ų12874%0.74280%0.803SS**  trans45.9116.1136.300000121.4
34S30Very low32.9Very low123 Ų123126.1 Ų126.186%0.8680%0.798SS**  168.1118.6104.3-75.60000111.9
35S35.2Very low32.3Very low113 Ų113128.8 Ų128.879%0.7980%0.8SS**  trans-91.3173.6140-67.10000106.9
36P51Low32.8Very low109 Ų109128.1 Ų128.171%0.70880%0.798SS**  cis-146.4-161.721.729.2-1.1000114.9
37V30.4Very low32.3Very low130 Ų130123.4 Ų123.479%0.78880%0.798SS**  trans88.4140.8156.7-52.90000119.1
38D28.3Very low32Very low131 Ų131121 Ų12170%0.70180%0.796SS**  cis-176.2160.9-27.1-146.6-18.2000107.3
39L30.9Very low32.3Very low153 Ų153120.6 Ų120.680%0.80180%0.798SS**  trans68.2154.5160-51.1171000119.7
40S31.1Very low32.3Very low109 Ų109120.7 Ų120.776%0.76280%0.799SS**  cis176.6167-28.1-170.10000105.8
41A30.3Very low32.6Very low103 Ų103117.6 Ų117.685%0.85180%0.796SS**  trans76.4134.7172.900000116.1
42G26.7Very low32.7Very low69 Ų69117.8 Ų117.871%0.71180%0.797SS**  cis146.9126.48.400000107.7
43S35Very low32.5Very low134 Ų134116.3 Ų116.394%0.93779%0.791SS**  trans-166.7150.3153.6-104.30000112.6
44N30.6Very low32.6Very low129 Ų129119.2 Ų119.269%0.6979%0.794SS**  trans-119.4147.7-150.4-112.8-4.6000110.6
45F30.4Very low32.7Very low180 Ų180122.7 Ų122.779%0.78979%0.793SS**  trans65.6166.8148.9-61.9-55.9000121.6
46P44.4Very low32.6Very low125 Ų125124.5 Ų124.581%0.81279%0.794SS**  cis-121.7178.4-2019.35.3000110.6
47G27Very low31.9Very low81 Ų81125.2 Ų125.284%0.83580%0.799SS**  cis119.2122.126.700000110
48G26.7Very low31.8Very low74 Ų74127.4 Ų127.476%0.76380%0.801SS**  trans111.8138.6168.300000115
49S33.9Very low32Very low122 Ų122126.2 Ų126.285%0.85380%0.802SS**  cis-164.6151.12.8-70.50000109.1
50A35.2Very low31.9Very low92 Ų92129.3 Ų129.376%0.7681%0.81SS**  trans-71.4170.1163.700000111.6
51P39.2Very low31.9Very low129 Ų129127.3 Ų127.384%0.83881%0.806SS**  -140.8152.2116.632.9-17.3000115.3
52Q32.3Very low31.9Very low197 Ų197128 Ų12892%0.92181%0.812SS**  trans-75.4151164.2-70.3176-23.800111.6
53G27Very low31.9Very low67 Ų67127.8 Ų127.869%0.69181%0.81SS**  97.8119.5115.400000121.4
54V29.4Very low31.8Very low133 Ų133128.4 Ų128.481%0.80681%0.808SS**  trans87.9116.2136.1-142.60000119.3
55K32.2Very low31.8Very low196 Ų196127.1 Ų127.185%0.85281%0.809SS**  167.2127.2102.9-84.4179.4-173.7179.20113.8
56N33.3Very low31.9Very low151 Ų151123.8 Ų123.881%0.80781%0.807SS**  trans-62.2169.8159.6-102.51.6000111.9
57P36.1Very low31.2Very low125 Ų125125 Ų12581%0.81281%0.811SS**  -128.2139.7129.730.1-15.7000113.9
58E28.3Very low31.3Very low176 Ų176124.5 Ų124.582%0.82281%0.807SS**  trans-68.4138.5167.5-67.6171.2138.400110.8
59S32.4Very low31.8Very low105 Ų105126.9 Ų126.973%0.73481%0.812SS**  63.2115.292.8-162.10000117.2
60F29.7Very low31.6Very low219 Ų219124.9 Ų124.996%0.96181%0.81SS**  trans-152.7136143.9-75.4-80.8000104.6
61G29.7Very low31.6Very low66 Ų66128.7 Ų128.768%0.6882%0.816SS**  cis146.4122.56.600000108.2
62A30.4Very low31.1Very low117 Ų117126.1 Ų126.197%0.96781%0.813SS**  trans62.3146.8163.300000118.5
63G28Very low30.9Very low65 Ų65120.3 Ų120.367%0.6781%0.806SS**  cis150.5166.512.300000108.5
64V32.7Very low31.2Very low148 Ų148128.1 Ų128.190%0.89781%0.814SS**  trans87.2105.8175.9-1670000114.1
65S30Very low31.2Very low102 Ų102129 Ų12971%0.71381%0.814SS**  cis85102.647.2-154.30000115.5
66C31.4Very low31.2Very low110 Ų110123.8 Ų123.874%0.74381%0.808SS**  trans49.5151.3135.4-58.60000125.1
67T30.5Very low31.2Very low149 Ų149122.9 Ų122.991%0.91481%0.808SS**  trans105.8134.9158.669.10000114.3
68G29.8Very low30.9Very low71 Ų71123.3 Ų123.373%0.73281%0.808SS**  cis173.7145.9-2.400000110.3
69S36.2Very low31.4Very low125 Ų125122.5 Ų122.587%0.87481%0.809SS**  trans58.1133.1140.8-147.30000122.6
70G30Very low31.4Very low79 Ų79123 Ų12381%0.81481%0.809SS**  trans179.5109.7160.300000113.1
71I34.9Very low31.6Very low172 Ų172120.2 Ų120.288%0.88280%0.804SS**  trans-91.2150.1-172-71.8164.8000112.4
72G28.9Very low31.6Very low76 Ų76123.7 Ų123.778%0.78481%0.813SS**  trans139.4129.3155.800000111.4
73G28.1Very low31.9Very low74 Ų74128.1 Ų128.176%0.76381%0.81SS**  cis143110.910.900000108.2
74R33.4Very low32.1Very low232 Ų232130.4 Ų130.488%0.87582%0.816SS**  trans72.7109.7155.4-75.6-177.9172.8179.1-2.9120.9
75N30.3Very low32.8Very low150 Ų150128 Ų12880%0.80281%0.806SS**  159.1130.197.4-82.7-23.8000114.6
76A30.6Very low33.3Very low88 Ų88130.8 Ų130.873%0.72781%0.813SS**  trans40.2117.8140.900000123.3
77T33.9Very low33.8Very low132 Ų132129 Ų12981%0.8181%0.813SS**  trans68.7114.4133.8-38.40000119.5
78V30.6Very low34.6Very low133 Ų133126.7 Ų126.781%0.80680%0.799SS**  166.2134.3123161.60000108
79L37.1Very low35.2Very low160 Ų160131.8 Ų131.884%0.83880%0.803SS**  trans-55152.8177.6-63.7166.2000112.2
80P33.9Very low35.2Very low114 Ų114129.7 Ų129.774%0.7479%0.794SS**  -147.9153.595.334-15.2000116.2
81D32.4Very low35.4Very low161 Ų161127.9 Ų127.986%0.86178%0.775SS**  trans19.1103.2151.7-74.8-34.6000119.2K83D81-K83 PolarHBondContact O-N 3.38Å
82T30.2Very low35.5Very low140 Ų140123.8 Ų123.886%0.85976%0.758SS**  trans-90.395.8155.537.70000110.2S84T82-S84 VanDerWaalsContact C-N 3.31Å; T82-S84 PolarHBondContact O-N 3.04Å
83K37.3Very low36.1Very low210 Ų210124.2 Ų124.291%0.91375%0.75SS**  trans-59.795.6152.2-92.2-179.6174.6172.20108.3D81 S85D81-K83 PolarHBondContact O-N 3.38Å; K83-S85 PolarHBondContact O-N 3.26Å
84S31.7Very low36.8Very low113 Ų113125.5 Ų125.579%0.7974%0.738SS**  trans-85.194.4165-170.20000108.5T82 D86T82-S84 VanDerWaalsContact C-N 3.31Å; T82-S84 PolarHBondContact O-N 3.04Å; S84-D86 PolarHBondContact O-N 3.49Å
85S48.2Very low37Very low98 Ų98120.2 Ų120.269%0.68572%0.723SS**  trans-71103.2165173.20000108.4K83K83-S85 PolarHBondContact O-N 3.26Å
86D40.7Very low37.7Very low160 Ų160120 Ų12086%0.85672%0.717SS**  trans-160.788.9148.3-100.5-22.2000110.2S84S84-D86 PolarHBondContact O-N 3.49Å
87G41.3Very low38.5Very low72 Ų72118.9 Ų118.974%0.74270%0.701SS**  trans-159.433.6178.300000111.8
88T47Very low39.1Very low101 Ų101117.2 Ų117.262%0.6269%0.687SS**  trans-137.643.9-170.8-34.50000112.9T92T88-T92 PolarHBondContact O-OG1 3.15Å
89Q42Very low40.2Very low177 Ų177117.1 Ų117.183%0.82768%0.676SS**SBendtrans-117.3-20.9165.3-71.2-167.4-6.300113.8
90A37.4Very low42.1Very low81 Ų81111.3 Ų111.367%0.66965%0.645SS**Hα-helixtrans-80.4-34.9176.100000113.2
91G33.9Very low44.4Very low42 Ų42109.1 Ų109.143%0.43363%0.631SS.*Hα-helixtrans-74-24.517900000114.4I94 Q95G91-I94 PolarHBondContact O-N 3.44Å; G91-Q95 PolarHBondContact O-N 3.13Å
92T35.7Very low47Very low85 Ų85102.4 Ų102.452%0.52160%0.595SS.*Hα-helixtrans-74.4-30.3-177.1-7.50000112.1T88T88-T92 PolarHBondContact O-OG1 3.15Å
93S41.9Very low49.5Very low86 Ų8698.5 Ų98.560%0.60157%0.567SS**Hα-helixtrans-70.7-37.7174.9-168.40000112H96 T97S93-H96 PolarHBondContact O-N 2.96Å; S93-T97 PolarHBondContact O-OG1 3.08Å
94I43.5Very low51.9Low101 Ų10195 Ų9552%0.51855%0.548SS..Hα-helixtrans-73.8-32.1-175.7-60.3172.7000112.3G91 H96G91-I94 PolarHBondContact O-N 3.44Å; I94-H96 VanDerWaalsContact C-N 3.32Å
95Q36.8Very low54.7Low121 Ų12191.7 Ų91.757%0.56552%0.52SS*.Hα-helixtrans-75.1-19.5176.2-75.5-77.9-3.300113.3G91 K99G91-Q95 PolarHBondContact O-N 3.13Å; Q95-K99 WeakPolarHBondContact O-CG 3.44Å
96H45.1Very low56.7Low144 Ų14487.2 Ų87.267%0.66749%0.489SS*.Hα-helixtrans-80.1-32.7-176.1-147.3-99.2000112.2S93 I94 K99 D100S93-H96 PolarHBondContact O-N 2.96Å; I94-H96 VanDerWaalsContact C-N 3.32Å; H96-K99 PolarHBondContact O-N 2.98Å; H96-D100 PolarHBondContact O-N 2.72Å
97T47.3Very low58.9Low66 Ų6681.4 Ų81.441%0.40546%0.461SS..Hα-helixtrans-68.6-35.7179.5-9.20000112.8S93 K99 D100 M103S93-T97 PolarHBondContact O-OG1 3.08Å; T97-K99 VanDerWaalsContact C-N 3.27Å; T97-K99 PolarHBondContact O-N 3.41Å; T97-D100 PolarHBondContact O-N 3.27Å; T97-M103 HydrophobicContact CG2-SD 4.15Å
98L46.5Very low61.3Low96 Ų9680.8 Ų80.850%0.50344%0.442SS..THydrogen-bonded Turntrans-74.6-15.9174-77.6169.8000113.5R104L98-R104 PolarHBondContact O-NE 3.26Å; L98-R104 VanDerWaalsContact O-NE 3.09Å; L98-R104 PolarHBondContact O-NH2 3.49Å
99K54.2Low63.5Low132 Ų13276 Ų7657%0.57441%0.413SS*.THydrogen-bonded Turntrans-90.6-11.3176.8-77.6-178.6-179.81800113.9Q95 H96 T97 P101Q95-K99 WeakPolarHBondContact O-CG 3.44Å; H96-K99 PolarHBondContact O-N 2.98Å; T97-K99 VanDerWaalsContact C-N 3.27Å; T97-K99 PolarHBondContact O-N 3.41Å; K99-P101 WeakPolarHBondContact O-CD 3.44Å; K99-P101 VanDerWaalsContact O-N 3.17Å
100D76.4Confident65.9Low38 Ų3867.7 Ų67.720%0.20337%0.374CS..  trans-68.3110.7-178-168.2-25.4000111.5H96 T97 I102 M103 R104 R146H96-D100 PolarHBondContact O-N 2.72Å; T97-D100 PolarHBondContact O-N 3.27Å; D100-I102 PolarHBondContact O-N 3.37Å; D100-I102 WeakPolarHBondContact OD1-CA 3.49Å; D100-I102 WeakPolarHBondContact OD1-CB 3.42Å; D100-I102 PolarHBondContact OD1-N 3.19Å; D100-M103 HydrophobicContact CB-CB 3.97Å; D100-M103 PolarHBondContact O-N 3.16Å; D100-M103 VanDerWaalsContact O-N 3.12Å; D100-R104 PolarHBondContact O-N 3.41Å; D100-R146 IonicContact OD1-NH1 3.5Å; D100-R146 IonicContact OD2-CZ 3.53Å; D100-R146 IonicContact OD2-NH1 3.59Å; D100-R146 PolarHBondContact OD2-NH1 2.88Å; D100-R146 IonicContact OD2-NH2 2.78Å; D100-R146 PolarHBondContact OD2-NH2 3.09Å
101P83Confident68.3Low67 Ų6769.2 Ų69.244%0.43537%0.367SS..Hα-helixtrans-59.1-32179-21.735000112.6K99 K105K99-P101 WeakPolarHBondContact O-CD 3.44Å; K99-P101 VanDerWaalsContact O-N 3.17Å; P101-K105 WeakPolarHBondContact O-CG 3.37Å; P101-K105 PolarHBondContact O-N 3.12Å
102I86.6Confident71.1Confident21 Ų2169.4 Ų69.411%0.10836%0.357CS..Hα-helixtrans-66.8-43.5178.2-56.8-55.2000110.1D100 R104 K105 A106 Q139 E142 I143D100-I102 PolarHBondContact O-N 3.37Å; D100-I102 WeakPolarHBondContact OD1-CA 3.49Å; D100-I102 WeakPolarHBondContact OD1-CB 3.42Å; D100-I102 PolarHBondContact OD1-N 3.19Å; I102-R104 PolarHBondContact O-N 3.25Å; I102-K105 PolarHBondContact O-N 3.17Å; I102-A106 PolarHBondContact O-N 3.49Å; I102-Q139 HydrophobicContact CD1-CB 3.82Å; I102-Q139 HydrophobicContact CD1-CG 4.13Å; I102-E142 HydrophobicContact CG2-CG 4.08Å; I102-I143 HydrophobicContact CB-CG1 4.48Å; I102-I143 HydrophobicContact CD1-CD1 4.4Å; I102-I143 HydrophobicContact CD1-CG1 4.19Å; I102-I143 HydrophobicContact CG2-CG1 3.69Å
103M83.8Confident73.9Confident57 Ų5765.4 Ų65.428%0.28133%0.332SS..Hα-helixtrans-71.2-32.6-177-163.2154.2-65.700112.5T97 D100 K105 A106 S107T97-M103 HydrophobicContact CG2-SD 4.15Å; D100-M103 HydrophobicContact CB-CB 3.97Å; D100-M103 PolarHBondContact O-N 3.16Å; D100-M103 VanDerWaalsContact O-N 3.12Å; M103-K105 VanDerWaalsContact C-N 3.31Å; M103-K105 PolarHBondContact O-N 3.17Å; M103-A106 PolarHBondContact O-N 2.84Å; M103-S107 PolarHBondContact O-N 3.22Å; M103-S107 PolarHBondContact O-OG 3.21Å
104R86.1Confident76Confident136 Ų13661.5 Ų61.551%0.51330%0.304SS..Hα-helixtrans-61.2-42.3169.8-66-179.7-168.7156.6-2.8111.2L98 D100 I102 S107 V108L98-R104 PolarHBondContact O-NE 3.26Å; L98-R104 VanDerWaalsContact O-NE 3.09Å; L98-R104 PolarHBondContact O-NH2 3.49Å; D100-R104 PolarHBondContact O-N 3.41Å; I102-R104 PolarHBondContact O-N 3.25Å; R104-S107 WeakPolarHBondContact O-CB 3.46Å; R104-S107 PolarHBondContact O-N 3.11Å; R104-V108 PolarHBondContact O-N 2.89Å
105K91.2Very high78.1Confident45 Ų4560.4 Ų60.420%0.19630%0.299CS..Hα-helixtrans-70.1-37.3177.1-67.6-50.6-177.1161.80113.7P101 I102 M103 S107 V108 L109 V132 Y136 I143P101-K105 WeakPolarHBondContact O-CG 3.37Å; P101-K105 PolarHBondContact O-N 3.12Å; I102-K105 PolarHBondContact O-N 3.17Å; M103-K105 VanDerWaalsContact C-N 3.31Å; M103-K105 PolarHBondContact O-N 3.17Å; K105-S107 VanDerWaalsContact C-N 3.26Å; K105-S107 PolarHBondContact O-N 2.78Å; K105-V108 PolarHBondContact O-N 3.25Å; K105-L109 PolarHBondContact O-N 3.13Å; K105-V132 HydrophobicContact CB-CG1 4.03Å; K105-V132 HydrophobicContact CD-CG1 4.38Å; K105-V132 WeakPolarHBondContact CD-O 3.46Å; K105-V132 WeakPolarHBondContact CE-O 3.24Å; K105-V132 HydrophobicContact CG-CG1 4.23Å; K105-V132 PolarHBondContact NZ-O 3.28Å; K105-Y136 HydrophobicContact CD-CD2 4.48Å; K105-Y136 HydrophobicContact CD-CE2 4.12Å; K105-Y136 HydrophobicContact CG-CD1 4.38Å; K105-Y136 HydrophobicContact CG-CD2 4.28Å; K105-Y136 HydrophobicContact CG-CE1 4.17Å; K105-Y136 HydrophobicContact CG-CE2 4.05Å; K105-Y136 HydrophobicContact CG-CG 4.46Å; K105-I143 HydrophobicContact CB-CD1 3.87Å; K105-I143 HydrophobicContact CB-CG1 4.3Å; K105-I143 HydrophobicContact CB-CG2 4.2Å; K105-I143 HydrophobicContact CG-CD1 4.44Å
106A89.6Confident80.7Confident4 Ų456.1 Ų56.13%0.03328%0.279CS..Hα-helixtrans-60.1-40170.700000111.1I102 M103 L109 I110 I143 R146 T147I102-A106 PolarHBondContact O-N 3.49Å; M103-A106 PolarHBondContact O-N 2.84Å; A106-L109 PolarHBondContact O-N 3.29Å; A106-I110 WeakPolarHBondContact O-CB 3.47Å; A106-I110 WeakPolarHBondContact O-CD1 3.26Å; A106-I110 WeakPolarHBondContact O-CG1 3.11Å; A106-I110 PolarHBondContact O-N 3.4Å; A106-I143 HydrophobicContact CB-CG2 4.38Å; A106-R146 HydrophobicContact CB-CB 4.29Å; A106-T147 WeakPolarHBondContact CA-OG1 3.42Å; A106-T147 WeakPolarHBondContact CB-OG1 3.41Å
107S87.3Confident82.7Confident37 Ų3751.6 Ų51.626%0.25926%0.258SS..Hα-helixtrans-62.8-44.3177.8-57.80000112.5M103 R104 K105 L109 I110 E111M103-S107 PolarHBondContact O-N 3.22Å; M103-S107 PolarHBondContact O-OG 3.21Å; R104-S107 WeakPolarHBondContact O-CB 3.46Å; R104-S107 PolarHBondContact O-N 3.11Å; K105-S107 VanDerWaalsContact C-N 3.26Å; K105-S107 PolarHBondContact O-N 2.78Å; S107-L109 VanDerWaalsContact C-N 3.33Å; S107-L109 PolarHBondContact O-N 3.01Å; S107-I110 PolarHBondContact O-N 3.19Å; S107-E111 PolarHBondContact O-N 3.15Å; S107-E111 VanDerWaalsContact O-N 3.13Å
108V91.3Very high84.3Confident59 Ų5950.7 Ų50.736%0.35825%0.248SC..Hα-helixtrans-61.4-41.8174.4176.50000111.4R104 K105 E111 F112 V131R104-V108 PolarHBondContact O-N 2.89Å; K105-V108 PolarHBondContact O-N 3.25Å; V108-E111 PolarHBondContact O-N 3.48Å; V108-F112 PolarHBondContact O-N 3.36Å; V108-V131 HydrophobicContact CG1-CG1 3.81Å
109L94.4Very high86.2Confident0 Ų052.4 Ų52.40%026%0.255CS..Hα-helixtrans-67.5-37.7178.6-17657.7000112.1K105 A106 S107 F112 L113 M128 V132 F140 I143 L144 T147K105-L109 PolarHBondContact O-N 3.13Å; A106-L109 PolarHBondContact O-N 3.29Å; S107-L109 VanDerWaalsContact C-N 3.33Å; S107-L109 PolarHBondContact O-N 3.01Å; L109-F112 HydrophobicContact CD1-CD1 4.11Å; L109-F112 PolarHBondContact O-N 2.96Å; L109-L113 HydrophobicContact CD1-CD1 4.21Å; L109-L113 HydrophobicContact CD1-CG 4.17Å; L109-L113 HydrophobicContact CG-CD1 3.9Å; L109-L113 HydrophobicContact CG-CG 4.32Å; L109-L113 WeakPolarHBondContact O-CB 3.38Å; L109-L113 VanDerWaalsContact O-CG 3.25Å; L109-L113 WeakPolarHBondContact O-CG 3.43Å; L109-L113 PolarHBondContact O-N 2.76Å; L109-M128 HydrophobicContact CD1-CB 3.72Å; L109-M128 HydrophobicContact CD1-CG 3.83Å; L109-M128 HydrophobicContact CD1-SD 4.32Å; L109-V132 HydrophobicContact CB-CG2 3.96Å; L109-V132 HydrophobicContact CD1-CG2 4.38Å; L109-V132 HydrophobicContact CD2-CG2 4.13Å; L109-V132 HydrophobicContact CG-CG2 4.38Å; L109-F140 HydrophobicContact CD2-CE2 4.39Å; L109-I143 HydrophobicContact CD2-CG2 4.34Å; L109-L144 HydrophobicContact CD2-CD1 4.19Å; L109-T147 HydrophobicContact CB-CG2 4.27Å; L109-T147 HydrophobicContact CD2-CG2 3.98Å; L109-T147 HydrophobicContact CG-CG2 3.91Å
110I91.8Very high87.7Confident4 Ų454.9 Ų54.92%0.02127%0.266CS..Hα-helixtrans-59.2-50.2175.3-73.9163000110.4A106 S107 F112 L113 L114 T147 R150 L151 F155A106-I110 WeakPolarHBondContact O-CB 3.47Å; A106-I110 WeakPolarHBondContact O-CD1 3.26Å; A106-I110 WeakPolarHBondContact O-CG1 3.11Å; A106-I110 PolarHBondContact O-N 3.4Å; S107-I110 PolarHBondContact O-N 3.19Å; I110-F112 VanDerWaalsContact C-N 3.33Å; I110-F112 PolarHBondContact O-N 3.42Å; I110-L113 PolarHBondContact O-N 3.45Å; I110-L114 HydrophobicContact CG2-CD1 3.52Å; I110-L114 HydrophobicContact CG2-CG 4.19Å; I110-L114 WeakPolarHBondContact O-CB 3.47Å; I110-L114 WeakPolarHBondContact O-CD1 3.45Å; I110-L114 WeakPolarHBondContact O-CG 3.46Å; I110-L114 PolarHBondContact O-N 3.43Å; I110-T147 HydrophobicContact CG1-CG2 3.59Å; I110-R150 HydrophobicContact CD1-CB 3.82Å; I110-R150 HydrophobicContact CD1-CG 3.85Å; I110-L151 HydrophobicContact CG1-CG 4.35Å; I110-L151 HydrophobicContact CG2-CD2 4.3Å; I110-F155 HydrophobicContact CG2-CD2 4.33Å; I110-F155 HydrophobicContact CG2-CE2 3.68Å; I110-F155 HydrophobicContact CG2-CZ 4.33Å
111E88.5Confident88.4Confident112 Ų11257.5 Ų57.552%0.52328%0.277SS..Hα-helixtrans-55.6-48.6178.9-71.9173.2-171.200111.5S107 V108 L113 L114 D115S107-E111 PolarHBondContact O-N 3.15Å; S107-E111 VanDerWaalsContact O-N 3.13Å; V108-E111 PolarHBondContact O-N 3.48Å; E111-L113 PolarHBondContact O-N 3.02Å; E111-L114 PolarHBondContact O-N 3.25Å; E111-D115 PolarHBondContact O-N 3.37Å; E111-D115 VanDerWaalsContact O-N 3.1Å
112F92.8Very high88.9Confident47 Ų4756.5 Ų56.521%0.20627%0.274CS..Hα-helixtrans-59.5-44.5176.6171.1-108.2000113.3V108 L109 I110 L114 D115 K116 V123 E127 V131V108-F112 PolarHBondContact O-N 3.36Å; L109-F112 HydrophobicContact CD1-CD1 4.11Å; L109-F112 PolarHBondContact O-N 2.96Å; I110-F112 VanDerWaalsContact C-N 3.33Å; I110-F112 PolarHBondContact O-N 3.42Å; F112-L114 VanDerWaalsContact C-N 3.35Å; F112-D115 PolarHBondContact O-N 3.38Å; F112-K116 HydrophobicContact CE1-CG 4.29Å; F112-K116 HydrophobicContact CE2-CG 4.25Å; F112-K116 HydrophobicContact CZ-CD 4.45Å; F112-K116 HydrophobicContact CZ-CG 4.06Å; F112-K116 PolarHBondContact O-N 3.32Å; F112-V123 HydrophobicContact CE1-CG2 3.54Å; F112-V123 HydrophobicContact CZ-CG2 4.06Å; F112-E127 HydrophobicContact CZ-CB 4.38Å; F112-V131 HydrophobicContact CB-CG1 3.92Å; F112-V131 HydrophobicContact CB-CG2 4.48Å; F112-V131 HydrophobicContact CD1-CB 4.46Å; F112-V131 HydrophobicContact CD1-CG1 4.47Å; F112-V131 HydrophobicContact CD1-CG2 3.95Å; F112-V131 HydrophobicContact CD2-CG2 3.8Å; F112-V131 HydrophobicContact CE1-CG2 4.01Å; F112-V131 HydrophobicContact CE2-CG2 3.9Å; F112-V131 HydrophobicContact CG-CB 4.44Å; F112-V131 HydrophobicContact CG-CG1 4.13Å; F112-V131 HydrophobicContact CG-CG2 3.82Å; F112-V131 HydrophobicContact CZ-CG2 4Å
113L93.1Very high89.3Confident1 Ų155.6 Ų55.61%0.00527%0.27CS..Hα-helixtrans-67.9-35.4-179.8-72.7173.6000112.4L109 I110 E111 D115 K116 F117 V123 M128 T147 L151 L159 L171L109-L113 HydrophobicContact CD1-CD1 4.21Å; L109-L113 HydrophobicContact CD1-CG 4.17Å; L109-L113 HydrophobicContact CG-CD1 3.9Å; L109-L113 HydrophobicContact CG-CG 4.32Å; L109-L113 WeakPolarHBondContact O-CB 3.38Å; L109-L113 VanDerWaalsContact O-CG 3.25Å; L109-L113 WeakPolarHBondContact O-CG 3.43Å; L109-L113 PolarHBondContact O-N 2.76Å; I110-L113 PolarHBondContact O-N 3.45Å; E111-L113 PolarHBondContact O-N 3.02Å; L113-D115 VanDerWaalsContact C-N 3.31Å; L113-K116 PolarHBondContact O-N 3.44Å; L113-F117 PolarHBondContact O-N 3.5Å; L113-V123 HydrophobicContact CD2-CB 4.35Å; L113-V123 HydrophobicContact CD2-CG1 3.61Å; L113-V123 HydrophobicContact CD2-CG2 4.26Å; L113-M128 HydrophobicContact CD1-SD 4.37Å; L113-M128 HydrophobicContact CD2-CG 4.31Å; L113-M128 HydrophobicContact CD2-SD 3.97Å; L113-T147 HydrophobicContact CD1-CG2 3.64Å; L113-L151 HydrophobicContact CB-CD1 4.43Å; L113-L151 HydrophobicContact CD1-CD1 3.68Å; L113-L159 HydrophobicContact CD1-CD1 4.5Å; L113-L159 HydrophobicContact CD1-CD2 4.32Å; L113-L159 HydrophobicContact CD2-CD1 4.19Å; L113-L171 HydrophobicContact CB-CD2 4.34Å
114L87.5Confident89.9Confident4 Ų454.9 Ų54.92%0.02127%0.268CS..Hα-helixtrans-66-36.7175-68.5165.4000111.4I110 E111 F112 F117 K118 L151 F155 L157 L171 I231I110-L114 HydrophobicContact CG2-CD1 3.52Å; I110-L114 HydrophobicContact CG2-CG 4.19Å; I110-L114 WeakPolarHBondContact O-CB 3.47Å; I110-L114 WeakPolarHBondContact O-CD1 3.45Å; I110-L114 WeakPolarHBondContact O-CG 3.46Å; I110-L114 PolarHBondContact O-N 3.43Å; E111-L114 PolarHBondContact O-N 3.25Å; F112-L114 VanDerWaalsContact C-N 3.35Å; L114-F117 WeakPolarHBondContact O-CB 3.3Å; L114-F117 PolarHBondContact O-N 2.95Å; L114-K118 WeakPolarHBondContact O-CG 3.44Å; L114-K118 PolarHBondContact O-N 3.07Å; L114-K118 VanDerWaalsContact O-N 3.12Å; L114-L151 HydrophobicContact CD2-CD2 4.04Å; L114-L151 HydrophobicContact CG-CD2 4.33Å; L114-F155 HydrophobicContact CD1-CE2 4.44Å; L114-F155 HydrophobicContact CD1-CZ 4.36Å; L114-F155 HydrophobicContact CD2-CB 4.49Å; L114-F155 HydrophobicContact CD2-CG 4.26Å; L114-L157 HydrophobicContact CD2-CD1 3.6Å; L114-L171 HydrophobicContact CD2-CD2 4.46Å; L114-I231 HydrophobicContact CD1-CD1 3.28Å; L114-I231 HydrophobicContact CD1-CG1 4.39Å; L114-I231 HydrophobicContact CD2-CD1 3.54Å; L114-I231 HydrophobicContact CG-CD1 3.92Å
115D87.4Confident90.2Very high77 Ų7752.5 Ų52.541%0.41226%0.26SS..Hα-helixtrans-68.1-40.9173.3-71.7-23.2000111.8E111 F112 L113 F117 K118 M119E111-D115 PolarHBondContact O-N 3.37Å; E111-D115 VanDerWaalsContact O-N 3.1Å; F112-D115 PolarHBondContact O-N 3.38Å; L113-D115 VanDerWaalsContact C-N 3.31Å; D115-F117 VanDerWaalsContact C-N 3.29Å; D115-F117 PolarHBondContact O-N 3.42Å; D115-K118 PolarHBondContact O-N 3.43Å; D115-K118 IonicContact OD1-NZ 3.53Å; D115-K118 PolarHBondContact OD1-NZ 3.1Å; D115-M119 WeakPolarHBondContact O-CG 3.46Å; D115-M119 PolarHBondContact O-N 3.21Å; D115-M119 VanDerWaalsContact O-N 3.09Å
116K90.6Very high90.3Very high32 Ų3254.8 Ų54.814%0.13928%0.281CS..Hα-helixtrans-58.8-39.1171.8-73.9-73.1179.6174.70112.6F112 L113 M119 K120 E121F112-K116 HydrophobicContact CE1-CG 4.29Å; F112-K116 HydrophobicContact CE2-CG 4.25Å; F112-K116 HydrophobicContact CZ-CD 4.45Å; F112-K116 HydrophobicContact CZ-CG 4.06Å; F112-K116 PolarHBondContact O-N 3.32Å; L113-K116 PolarHBondContact O-N 3.44Å; K116-M119 CarbonylContact O-C 3.45Å; K116-M119 PolarHBondContact O-N 3.24Å; K116-K120 PolarHBondContact O-N 2.91Å; K116-E121 HydrophobicContact CD-CB 3.87Å; K116-E121 WeakPolarHBondContact CD-OE2 3.46Å; K116-E121 IonicContact NZ-OE2 2.98Å; K116-E121 PolarHBondContact NZ-OE2 3.19Å; K116-E121 PolarHBondContact O-N 2.92Å
117F86.8Confident90.5Very high49 Ų4958.1 Ų58.122%0.21530%0.296CS..Hα-helixtrans-63.1-43.5175.5179.5-91.8000112.9L113 L114 D115 M119 K120 L157 L171 L189L113-F117 PolarHBondContact O-N 3.5Å; L114-F117 WeakPolarHBondContact O-CB 3.3Å; L114-F117 PolarHBondContact O-N 2.95Å; D115-F117 VanDerWaalsContact C-N 3.29Å; D115-F117 PolarHBondContact O-N 3.42Å; F117-M119 VanDerWaalsContact C-N 3.27Å; F117-M119 PolarHBondContact O-N 3.23Å; F117-K120 PolarHBondContact O-N 2.95Å; F117-L157 HydrophobicContact CD2-CD2 4.33Å; F117-L157 HydrophobicContact CE1-CD2 4.42Å; F117-L157 HydrophobicContact CE2-CD2 3.82Å; F117-L157 HydrophobicContact CG-CD1 4.46Å; F117-L157 HydrophobicContact CZ-CD2 3.86Å; F117-L171 HydrophobicContact CB-CB 4.21Å; F117-L171 HydrophobicContact CB-CD2 3.77Å; F117-L171 HydrophobicContact CB-CG 4.35Å; F117-L171 HydrophobicContact CD2-CB 3.89Å; F117-L171 HydrophobicContact CD2-CD2 4.21Å; F117-L171 HydrophobicContact CD2-CG 3.98Å; F117-L171 VanDerWaalsContact CD2-O 3.22Å; F117-L171 WeakPolarHBondContact CD2-O 3.43Å; F117-L171 WeakPolarHBondContact CE2-O 3.16Å; F117-L171 HydrophobicContact CG-CD2 4.22Å; F117-L171 HydrophobicContact CG-CG 4.49Å; F117-L189 HydrophobicContact CD1-CD2 3.33Å; F117-L189 HydrophobicContact CE1-CD2 3.46Å; F117-L189 VanDerWaalsContact CE1-CD2 3.46Å; F117-L189 HydrophobicContact CG-CD2 4.37Å
118K82.4Confident90.9Very high46 Ų4656.4 Ų56.420%0.228%0.284CS..Hα-helixtrans-60.6-40175.8-66.9166.6-170.3169.50111.7L114 D115 K120 W187L114-K118 WeakPolarHBondContact O-CG 3.44Å; L114-K118 PolarHBondContact O-N 3.07Å; L114-K118 VanDerWaalsContact O-N 3.12Å; D115-K118 PolarHBondContact O-N 3.43Å; D115-K118 IonicContact OD1-NZ 3.53Å; D115-K118 PolarHBondContact OD1-NZ 3.1Å; K118-K120 PolarHBondContact O-N 3.1Å; K118-W187 HydrophobicContact CD-CD2 4.47Å; K118-W187 HydrophobicContact CD-CE3 3.43Å; K118-W187 VanDerWaalsContact CD-CE3 3.43Å; K118-W187 HydrophobicContact CD-CZ3 3.59Å; K118-W187 HydrophobicContact CG-CE3 4.36Å
119M85.7Confident91.1Very high132 Ų13255.1 Ų55.165%0.6528%0.275SS*.THydrogen-bonded Turntrans-76.8-6.5176.5-58.9-55.3179.900113.2D115 K116 F117 E121D115-M119 WeakPolarHBondContact O-CG 3.46Å; D115-M119 PolarHBondContact O-N 3.21Å; D115-M119 VanDerWaalsContact O-N 3.09Å; K116-M119 CarbonylContact O-C 3.45Å; K116-M119 PolarHBondContact O-N 3.24Å; F117-M119 VanDerWaalsContact C-N 3.27Å; F117-M119 PolarHBondContact O-N 3.23Å; M119-E121 HydrophobicContact CB-CB 4.47Å; M119-E121 HydrophobicContact CB-CG 3.85Å; M119-E121 PolarHBondContact O-N 3.3Å
120K84.9Confident91Very high184 Ų18458 Ų5880%0.830%0.299SS*.THydrogen-bonded Turntrans55.237.2-174.6-55.9-177.1179.4-176.90112.7K116 F117 K118K116-K120 PolarHBondContact O-N 2.91Å; F117-K120 PolarHBondContact O-N 2.95Å; K118-K120 PolarHBondContact O-N 3.1Å
121E92.1Very high91.1Very high93 Ų9360.3 Ų60.344%0.43531%0.313SS..  trans-99.9145.1-178.3-70.2-178.117800111.8K116 M119K116-E121 HydrophobicContact CD-CB 3.87Å; K116-E121 WeakPolarHBondContact CD-OE2 3.46Å; K116-E121 IonicContact NZ-OE2 2.98Å; K116-E121 PolarHBondContact NZ-OE2 3.19Å; K116-E121 PolarHBondContact O-N 2.92Å; M119-E121 HydrophobicContact CB-CB 4.47Å; M119-E121 HydrophobicContact CB-CG 3.85Å; M119-E121 PolarHBondContact O-N 3.3Å
122A93.5Very high91.2Very high47 Ų4755 Ų5539%0.38829%0.288SS..  trans-73.3158.7164.800000110.7I162 Y169A122-I162 HydrophobicContact CB-CD1 3.86Å; A122-Y169 CarbonylContact C-O 3.13Å; A122-Y169 VanDerWaalsContact CA-O 3.29Å; A122-Y169 WeakPolarHBondContact CA-O 3.25Å
123V95.6Very high91Very high2 Ų256.2 Ų56.21%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-134.9136.3-179.265.30000110.2F112 L113 E127 M128 L159 Y169F112-V123 HydrophobicContact CE1-CG2 3.54Å; F112-V123 HydrophobicContact CZ-CG2 4.06Å; L113-V123 HydrophobicContact CD2-CB 4.35Å; L113-V123 HydrophobicContact CD2-CG1 3.61Å; L113-V123 HydrophobicContact CD2-CG2 4.26Å; V123-E127 HydrophobicContact CG2-CB 4.18Å; V123-M128 HydrophobicContact CG1-CG 4.44Å; V123-M128 HydrophobicContact CG1-SD 4.3Å; V123-M128 HydrophobicContact CG2-CG 3.64Å; V123-L159 HydrophobicContact CG1-CD1 4.43Å; V123-Y169 PolarHBondContact N-O 3.12Å; V123-Y169 PolarHBondContact O-N 3.39Å
124T95.5Very high90.7Very high41 Ų4163.9 Ų63.925%0.25233%0.33SS..EExtended strand (participates in β ladder)trans-91.2155.2177.1650000111.6S126 E127 M128 H167T124-S126 PolarHBondContact O-N 3.32Å; T124-E127 WeakPolarHBondContact CB-OE2 3.38Å; T124-E127 PolarHBondContact N-OE2 2.85Å; T124-E127 PolarHBondContact O-N 3.01Å; T124-E127 VanDerWaalsContact OG1-CG 3.24Å; T124-E127 WeakPolarHBondContact OG1-CG 3.48Å; T124-E127 PolarHBondContact OG1-N 2.91Å; T124-E127 PolarHBondContact OG1-OE2 2.77Å; T124-M128 PolarHBondContact O-N 2.78Å; T124-M128 VanDerWaalsContact O-N 3.1Å; T124-H167 CarbonylContact C-O 3.58Å; T124-H167 WeakPolarHBondContact CA-O 3.43Å
125R92.9Very high90.9Very high87 Ų8770.8 Ų70.833%0.32836%0.36SS..Hα-helixtrans-54.1-38.3172.3-168.2179.1178110.6-3.2112.7M128 L129 F140 H167 Y169R125-M128 PolarHBondContact O-N 2.81Å; R125-L129 WeakPolarHBondContact O-CB 3.48Å; R125-L129 PolarHBondContact O-N 3.28Å; R125-F140 HydrophobicContact CG-CE1 3.73Å; R125-F140 HydrophobicContact CG-CZ 4.32Å; R125-H167 HydrophobicContact CB-CB 3.74Å; R125-H167 PolarHBondContact N-O 3.38Å; R125-Y169 HydrophobicContact CB-CE2 4.13Å
126S92.5Very high90.9Very high93 Ų9368.8 Ų68.865%0.6535%0.347SS*.Hα-helixtrans-65.9-41.8-179.7-64.70000112.4T124 L129 A130T124-S126 PolarHBondContact O-N 3.32Å; S126-L129 PolarHBondContact O-N 2.87Å; S126-A130 WeakPolarHBondContact O-CB 3.44Å; S126-A130 PolarHBondContact O-N 3.39Å
127E95Very high90.9Very high74 Ų7474.4 Ų74.435%0.34637%0.372SS..Hα-helixtrans-63.6-46174.1-72.7167.2119.500111.3F112 V123 T124 L129 A130 V131F112-E127 HydrophobicContact CZ-CB 4.38Å; V123-E127 HydrophobicContact CG2-CB 4.18Å; T124-E127 WeakPolarHBondContact CB-OE2 3.38Å; T124-E127 PolarHBondContact N-OE2 2.85Å; T124-E127 PolarHBondContact O-N 3.01Å; T124-E127 VanDerWaalsContact OG1-CG 3.24Å; T124-E127 WeakPolarHBondContact OG1-CG 3.48Å; T124-E127 PolarHBondContact OG1-N 2.91Å; T124-E127 PolarHBondContact OG1-OE2 2.77Å; E127-L129 VanDerWaalsContact C-N 3.31Å; E127-L129 PolarHBondContact O-N 3.38Å; E127-A130 WeakPolarHBondContact O-CB 3.44Å; E127-A130 PolarHBondContact O-N 3.09Å; E127-A130 VanDerWaalsContact O-N 3.13Å; E127-V131 WeakPolarHBondContact O-CG2 3.29Å; E127-V131 PolarHBondContact O-N 3.31Å; E127-V131 VanDerWaalsContact O-N 3.08Å
128M95.4Very high91.2Very high0 Ų080.8 Ų80.80%040%0.402CS..Hα-helixtrans-58.6-42.9176.5-67.9-167-78.400111.9L109 L113 V123 T124 R125 A130 V131 V132 F140 L144 L159 Y169L109-M128 HydrophobicContact CD1-CB 3.72Å; L109-M128 HydrophobicContact CD1-CG 3.83Å; L109-M128 HydrophobicContact CD1-SD 4.32Å; L113-M128 HydrophobicContact CD1-SD 4.37Å; L113-M128 HydrophobicContact CD2-CG 4.31Å; L113-M128 HydrophobicContact CD2-SD 3.97Å; V123-M128 HydrophobicContact CG1-CG 4.44Å; V123-M128 HydrophobicContact CG1-SD 4.3Å; V123-M128 HydrophobicContact CG2-CG 3.64Å; T124-M128 PolarHBondContact O-N 2.78Å; T124-M128 VanDerWaalsContact O-N 3.1Å; R125-M128 PolarHBondContact O-N 2.81Å; M128-A130 VanDerWaalsContact C-N 3.35Å; M128-V131 PolarHBondContact O-N 3.22Å; M128-V132 WeakPolarHBondContact O-CG2 3.19Å; M128-V132 PolarHBondContact O-N 3.37Å; M128-V132 VanDerWaalsContact O-N 3.15Å; M128-F140 HydrophobicContact CB-CE2 3.94Å; M128-F140 HydrophobicContact CB-CZ 3.65Å; M128-L144 HydrophobicContact CE-CD1 4.13Å; M128-L144 HydrophobicContact SD-CD1 3.85Å; M128-L159 HydrophobicContact SD-CD2 4.16Å; M128-Y169 HydrophobicContact CE-CD2 3.33Å; M128-Y169 HydrophobicContact CE-CE2 3.56Å; M128-Y169 HydrophobicContact CE-CG 4.07Å
129L94.1Very high91.7Very high32 Ų3282.7 Ų82.717%0.16841%0.412CS..Hα-helixtrans-67.5-35177.2-178.861.2000112.3R125 S126 E127 V132 N133 K137 F140R125-L129 WeakPolarHBondContact O-CB 3.48Å; R125-L129 PolarHBondContact O-N 3.28Å; S126-L129 PolarHBondContact O-N 2.87Å; E127-L129 VanDerWaalsContact C-N 3.31Å; E127-L129 PolarHBondContact O-N 3.38Å; L129-V132 PolarHBondContact O-N 2.98Å; L129-N133 CarbonylContact O-C 3.38Å; L129-N133 PolarHBondContact O-N 3.36Å; L129-K137 HydrophobicContact CD1-CB 4.42Å; L129-K137 HydrophobicContact CD2-CB 4.36Å; L129-K137 HydrophobicContact CD2-CG 4.09Å; L129-F140 HydrophobicContact CB-CD2 4.17Å; L129-F140 HydrophobicContact CB-CE2 4.09Å; L129-F140 HydrophobicContact CD1-CB 3.97Å; L129-F140 HydrophobicContact CD1-CD2 3.63Å; L129-F140 HydrophobicContact CD1-CE2 4.38Å; L129-F140 HydrophobicContact CD1-CG 3.9Å
130A94Very high92Very high62 Ų6276.5 Ų76.551%0.51238%0.381SS..Hα-helixtrans-63-43.9176.300000111.5S126 E127 M128 N133S126-A130 WeakPolarHBondContact O-CB 3.44Å; S126-A130 PolarHBondContact O-N 3.39Å; E127-A130 WeakPolarHBondContact O-CB 3.44Å; E127-A130 PolarHBondContact O-N 3.09Å; E127-A130 VanDerWaalsContact O-N 3.13Å; M128-A130 VanDerWaalsContact C-N 3.35Å; A130-N133 PolarHBondContact O-N 3.01Å
131V93.7Very high92.4Very high51 Ų5171 Ų7131%0.30936%0.364SS..Hα-helixtrans-63.8-43.3177.6169.60000112V108 F112 E127 M128 N133V108-V131 HydrophobicContact CG1-CG1 3.81Å; F112-V131 HydrophobicContact CB-CG1 3.92Å; F112-V131 HydrophobicContact CB-CG2 4.48Å; F112-V131 HydrophobicContact CD1-CB 4.46Å; F112-V131 HydrophobicContact CD1-CG1 4.47Å; F112-V131 HydrophobicContact CD1-CG2 3.95Å; F112-V131 HydrophobicContact CD2-CG2 3.8Å; F112-V131 HydrophobicContact CE1-CG2 4.01Å; F112-V131 HydrophobicContact CE2-CG2 3.9Å; F112-V131 HydrophobicContact CG-CB 4.44Å; F112-V131 HydrophobicContact CG-CG1 4.13Å; F112-V131 HydrophobicContact CG-CG2 3.82Å; F112-V131 HydrophobicContact CZ-CG2 4Å; E127-V131 WeakPolarHBondContact O-CG2 3.29Å; E127-V131 PolarHBondContact O-N 3.31Å; E127-V131 VanDerWaalsContact O-N 3.08Å; M128-V131 PolarHBondContact O-N 3.22Å; V131-N133 VanDerWaalsContact C-N 3.25Å; V131-N133 PolarHBondContact O-N 2.99Å
132V90.5Very high92.3Very high0 Ų069.6 Ų69.60%036%0.358CS..Hα-helixtrans-66.1-31.4177.8166.40000112.1K105 L109 M128 L129 Y136 F140 I143K105-V132 HydrophobicContact CB-CG1 4.03Å; K105-V132 HydrophobicContact CD-CG1 4.38Å; K105-V132 WeakPolarHBondContact CD-O 3.46Å; K105-V132 WeakPolarHBondContact CE-O 3.24Å; K105-V132 HydrophobicContact CG-CG1 4.23Å; K105-V132 PolarHBondContact NZ-O 3.28Å; L109-V132 HydrophobicContact CB-CG2 3.96Å; L109-V132 HydrophobicContact CD1-CG2 4.38Å; L109-V132 HydrophobicContact CD2-CG2 4.13Å; L109-V132 HydrophobicContact CG-CG2 4.38Å; M128-V132 WeakPolarHBondContact O-CG2 3.19Å; M128-V132 PolarHBondContact O-N 3.37Å; M128-V132 VanDerWaalsContact O-N 3.15Å; L129-V132 PolarHBondContact O-N 2.98Å; V132-Y136 HydrophobicContact CG1-CD2 4.09Å; V132-Y136 HydrophobicContact CG1-CG 4.1Å; V132-F140 HydrophobicContact CG2-CD2 4.49Å; V132-F140 HydrophobicContact CG2-CE2 4.33Å; V132-I143 HydrophobicContact CG1-CD1 3.67Å; V132-I143 HydrophobicContact CG1-CG2 4.49Å; V132-I143 HydrophobicContact CG2-CG2 4.04Å
133N88.3Confident92.3Very high74 Ų7467.3 Ų67.340%0.39634%0.339SS..  trans97.6130.3-167.9-171.1-42.1000112.6L129 A130 V131 K135 Y136L129-N133 CarbonylContact O-C 3.38Å; L129-N133 PolarHBondContact O-N 3.36Å; A130-N133 PolarHBondContact O-N 3.01Å; V131-N133 VanDerWaalsContact C-N 3.25Å; V131-N133 PolarHBondContact O-N 2.99Å; N133-K135 HydrophobicContact CB-CG 4.41Å; N133-K135 PolarHBondContact O-N 3.38Å; N133-K135 WeakPolarHBondContact OD1-CG 3.14Å; N133-K135 PolarHBondContact OD1-N 3.47Å; N133-Y136 HydrophobicContact CB-CD2 4.18Å; N133-Y136 HydrophobicContact CB-CE2 4.46Å; N133-Y136 PolarHBondContact O-N 3.37Å
134K87.3Confident92.1Very high162 Ų16268.2 Ų68.270%0.70434%0.344SS*.G310 helixtrans-54.8-24.7-179.1-67-175.4178.9179.70114.3Y136 K137K134-Y136 PolarHBondContact O-N 3.18Å; K134-K137 WeakPolarHBondContact O-CB 3.49Å; K134-K137 PolarHBondContact O-N 3.33Å; K134-K137 VanDerWaalsContact O-N 3.14Å
135K90.1Very high91.9Very high149 Ų14972.8 Ų72.865%0.64836%0.356SS*.G310 helixtrans-63.6-18.4176.776.5-176.1-177.3172.20114.1N133N133-K135 HydrophobicContact CB-CG 4.41Å; N133-K135 PolarHBondContact O-N 3.38Å; N133-K135 WeakPolarHBondContact OD1-CG 3.14Å; N133-K135 PolarHBondContact OD1-N 3.47Å
136Y88.6Confident91.6Very high35 Ų3571.5 Ų71.514%0.13735%0.352CS..G310 helixtrans-95.317.8176.9-64.4-87.6000112.9K105 V132 N133 K134 E138 Q139 F140 I143K105-Y136 HydrophobicContact CD-CD2 4.48Å; K105-Y136 HydrophobicContact CD-CE2 4.12Å; K105-Y136 HydrophobicContact CG-CD1 4.38Å; K105-Y136 HydrophobicContact CG-CD2 4.28Å; K105-Y136 HydrophobicContact CG-CE1 4.17Å; K105-Y136 HydrophobicContact CG-CE2 4.05Å; K105-Y136 HydrophobicContact CG-CG 4.46Å; V132-Y136 HydrophobicContact CG1-CD2 4.09Å; V132-Y136 HydrophobicContact CG1-CG 4.1Å; N133-Y136 HydrophobicContact CB-CD2 4.18Å; N133-Y136 HydrophobicContact CB-CE2 4.46Å; N133-Y136 PolarHBondContact O-N 3.37Å; K134-Y136 PolarHBondContact O-N 3.18Å; Y136-E138 VanDerWaalsContact C-N 3.26Å; Y136-E138 PolarHBondContact O-N 3.36Å; Y136-Q139 CarbonylContact O-C 3.35Å; Y136-Q139 PolarHBondContact O-N 3.46Å; Y136-F140 WeakPolarHBondContact O-CB 3.34Å; Y136-F140 PolarHBondContact O-N 3.5Å; Y136-I143 HydrophobicContact CD1-CD1 4.08Å; Y136-I143 HydrophobicContact CG-CD1 4.11Å
137K90.6Very high91.6Very high150 Ų15067.1 Ų67.165%0.65232%0.321SS*.THydrogen-bonded Turntrans-51.9-42.6-176-175.2-179.7178.2-171.50113.3L129 K134 F140L129-K137 HydrophobicContact CD1-CB 4.42Å; L129-K137 HydrophobicContact CD2-CB 4.36Å; L129-K137 HydrophobicContact CD2-CG 4.09Å; K134-K137 WeakPolarHBondContact O-CB 3.49Å; K134-K137 PolarHBondContact O-N 3.33Å; K134-K137 VanDerWaalsContact O-N 3.14Å; K137-F140 WeakPolarHBondContact O-CB 3.44Å
138E92.3Very high91.4Very high182 Ų18264.9 Ų64.985%0.8531%0.313SS*.THydrogen-bonded Turntrans-70.9-34.8179-64.8176.1-177.400112.6Y136 F140 P141Y136-E138 VanDerWaalsContact C-N 3.26Å; Y136-E138 PolarHBondContact O-N 3.36Å; E138-F140 VanDerWaalsContact C-N 3.34Å; E138-P141 WeakPolarHBondContact O-CD 3.35Å
139Q93.3Very high90.9Very high87 Ų8766 Ų6641%0.40732%0.323SS..THydrogen-bonded Turntrans-87.9-8.2-178.9-64.6162.92200112.3I102 Y136 P141 E142 I143I102-Q139 HydrophobicContact CD1-CB 3.82Å; I102-Q139 HydrophobicContact CD1-CG 4.13Å; Y136-Q139 CarbonylContact O-C 3.35Å; Y136-Q139 PolarHBondContact O-N 3.46Å; Q139-P141 VanDerWaalsContact C-CD 3.43Å; Q139-E142 PolarHBondContact O-N 2.61Å; Q139-I143 HydrophobicContact CB-CD1 4.33Å; Q139-I143 WeakPolarHBondContact O-CG1 3.38Å; Q139-I143 PolarHBondContact O-N 3.29Å
140F93.1Very high90.4Very high1 Ų166.7 Ų66.70%0.00432%0.323CS..Hα-helixtrans-56.7-40.3-176.2-176.4-97.2000113.5L109 R125 M128 L129 V132 Y136 K137 E138 E142 I143 L144L109-F140 HydrophobicContact CD2-CE2 4.39Å; R125-F140 HydrophobicContact CG-CE1 3.73Å; R125-F140 HydrophobicContact CG-CZ 4.32Å; M128-F140 HydrophobicContact CB-CE2 3.94Å; M128-F140 HydrophobicContact CB-CZ 3.65Å; L129-F140 HydrophobicContact CB-CD2 4.17Å; L129-F140 HydrophobicContact CB-CE2 4.09Å; L129-F140 HydrophobicContact CD1-CB 3.97Å; L129-F140 HydrophobicContact CD1-CD2 3.63Å; L129-F140 HydrophobicContact CD1-CE2 4.38Å; L129-F140 HydrophobicContact CD1-CG 3.9Å; V132-F140 HydrophobicContact CG2-CD2 4.49Å; V132-F140 HydrophobicContact CG2-CE2 4.33Å; Y136-F140 WeakPolarHBondContact O-CB 3.34Å; Y136-F140 PolarHBondContact O-N 3.5Å; K137-F140 WeakPolarHBondContact O-CB 3.44Å; E138-F140 VanDerWaalsContact C-N 3.34Å; F140-E142 VanDerWaalsContact C-N 3.29Å; F140-E142 PolarHBondContact O-N 3.44Å; F140-I143 PolarHBondContact O-N 2.95Å; F140-L144 HydrophobicContact CE1-CB 4.27Å; F140-L144 HydrophobicContact CE1-CD2 4.06Å; F140-L144 HydrophobicContact CZ-CB 4.46Å; F140-L144 HydrophobicContact CZ-CD1 4.41Å; F140-L144 VanDerWaalsContact O-CB 3.3Å; F140-L144 WeakPolarHBondContact O-CB 3.45Å; F140-L144 PolarHBondContact O-N 3.06Å
141P92.6Very high90.1Very high70 Ų7063.7 Ų63.746%0.45530%0.299SS..Hα-helixtrans-56.8-41.9174.6-2535.7000112.9E138 Q139 L144 R145E138-P141 WeakPolarHBondContact O-CD 3.35Å; Q139-P141 VanDerWaalsContact C-CD 3.43Å; P141-L144 PolarHBondContact O-N 2.83Å; P141-R145 WeakPolarHBondContact O-CB 3.19Å; P141-R145 PolarHBondContact O-N 2.86Å
142E90.3Very high89.6Confident62 Ų6262.7 Ų62.729%0.2929%0.29SS..Hα-helixtrans-72.2-38.7178.5178.357.4-164.300111.8I102 Q139 F140 L144 R145 R146I102-E142 HydrophobicContact CG2-CG 4.08Å; Q139-E142 PolarHBondContact O-N 2.61Å; F140-E142 VanDerWaalsContact C-N 3.29Å; F140-E142 PolarHBondContact O-N 3.44Å; E142-L144 VanDerWaalsContact C-N 3.34Å; E142-R145 PolarHBondContact O-N 2.85Å; E142-R145 IonicContact OE1-CZ 2.7Å; E142-R145 IonicContact OE1-NE 2.73Å; E142-R145 IonicContact OE1-NH2 3.61Å; E142-R145 PolarHBondContact OE1-NH2 2.97Å; E142-R145 IonicContact OE2-CZ 3.63Å; E142-R145 IonicContact OE2-NE 3.71Å; E142-R145 PolarHBondContact OE2-NE 3.1Å; E142-R145 IonicContact OE2-NH2 2.81Å; E142-R146 WeakPolarHBondContact O-CG 3.43Å; E142-R146 PolarHBondContact O-N 3.42Å; E142-R146 IonicContact OE1-CZ 2.72Å; E142-R146 IonicContact OE1-NE 3.45Å; E142-R146 PolarHBondContact OE1-NE 3.43Å; E142-R146 IonicContact OE1-NH2 2.61Å
143I92.4Very high89.1Confident0 Ų064.2 Ų64.20%030%0.298CS..Hα-helixtrans-60-47173.2-65.7168.2000110.2I102 K105 A106 L109 V132 Y136 Q139 F140 R146 T147I102-I143 HydrophobicContact CB-CG1 4.48Å; I102-I143 HydrophobicContact CD1-CD1 4.4Å; I102-I143 HydrophobicContact CD1-CG1 4.19Å; I102-I143 HydrophobicContact CG2-CG1 3.69Å; K105-I143 HydrophobicContact CB-CD1 3.87Å; K105-I143 HydrophobicContact CB-CG1 4.3Å; K105-I143 HydrophobicContact CB-CG2 4.2Å; K105-I143 HydrophobicContact CG-CD1 4.44Å; A106-I143 HydrophobicContact CB-CG2 4.38Å; L109-I143 HydrophobicContact CD2-CG2 4.34Å; V132-I143 HydrophobicContact CG1-CD1 3.67Å; V132-I143 HydrophobicContact CG1-CG2 4.49Å; V132-I143 HydrophobicContact CG2-CG2 4.04Å; Y136-I143 HydrophobicContact CD1-CD1 4.08Å; Y136-I143 HydrophobicContact CG-CD1 4.11Å; Q139-I143 HydrophobicContact CB-CD1 4.33Å; Q139-I143 WeakPolarHBondContact O-CG1 3.38Å; Q139-I143 PolarHBondContact O-N 3.29Å; F140-I143 PolarHBondContact O-N 2.95Å; I143-R146 PolarHBondContact O-N 2.99Å; I143-T147 VanDerWaalsContact O-CB 3.32Å; I143-T147 WeakPolarHBondContact O-CB 3.36Å; I143-T147 PolarHBondContact O-N 3.26Å; I143-T147 PolarHBondContact O-OG1 3.48Å
144L92.5Very high88.8Confident21 Ų2160.7 Ų60.711%0.1128%0.279CS..Hα-helixtrans-63.8-44.9178.8-173.465.2000110.7L109 M128 F140 P141 E142 R146 T147 S148 L159L109-L144 HydrophobicContact CD2-CD1 4.19Å; M128-L144 HydrophobicContact CE-CD1 4.13Å; M128-L144 HydrophobicContact SD-CD1 3.85Å; F140-L144 HydrophobicContact CE1-CB 4.27Å; F140-L144 HydrophobicContact CE1-CD2 4.06Å; F140-L144 HydrophobicContact CZ-CB 4.46Å; F140-L144 HydrophobicContact CZ-CD1 4.41Å; F140-L144 VanDerWaalsContact O-CB 3.3Å; F140-L144 WeakPolarHBondContact O-CB 3.45Å; F140-L144 PolarHBondContact O-N 3.06Å; P141-L144 PolarHBondContact O-N 2.83Å; E142-L144 VanDerWaalsContact C-N 3.34Å; L144-R146 PolarHBondContact O-N 2.9Å; L144-T147 WeakPolarHBondContact O-CB 3.32Å; L144-T147 PolarHBondContact O-N 2.81Å; L144-S148 PolarHBondContact O-N 2.7Å; L144-S148 PolarHBondContact O-OG 2.95Å; L144-S148 VanDerWaalsContact O-OG 3.13Å; L144-L159 HydrophobicContact CD1-CD2 3.69Å
145R90.3Very high88.4Confident137 Ų13753.2 Ų53.252%0.51725%0.247SC..Hα-helixtrans-56.3-48.5176.7-170.2-165.269.278.60.1111.8P141 E142 T147 S148 A149P141-R145 WeakPolarHBondContact O-CB 3.19Å; P141-R145 PolarHBondContact O-N 2.86Å; E142-R145 PolarHBondContact O-N 2.85Å; E142-R145 IonicContact OE1-CZ 2.7Å; E142-R145 IonicContact OE1-NE 2.73Å; E142-R145 IonicContact OE1-NH2 3.61Å; E142-R145 PolarHBondContact OE1-NH2 2.97Å; E142-R145 IonicContact OE2-CZ 3.63Å; E142-R145 IonicContact OE2-NE 3.71Å; E142-R145 PolarHBondContact OE2-NE 3.1Å; E142-R145 IonicContact OE2-NH2 2.81Å; R145-T147 VanDerWaalsContact C-N 3.35Å; R145-S148 PolarHBondContact O-N 2.7Å; R145-A149 WeakPolarHBondContact O-CB 3.47Å; R145-A149 PolarHBondContact O-N 3.42Å
146R88.1Confident88Confident60 Ų6046.1 Ų46.123%0.22622%0.216CC..Hα-helixtrans-67.4-35.9178-68.6-173-173.3-166.35.4112.7D100 A106 E142 I143 L144 R150D100-R146 IonicContact OD1-NH1 3.5Å; D100-R146 IonicContact OD2-CZ 3.53Å; D100-R146 IonicContact OD2-NH1 3.59Å; D100-R146 PolarHBondContact OD2-NH1 2.88Å; D100-R146 IonicContact OD2-NH2 2.78Å; D100-R146 PolarHBondContact OD2-NH2 3.09Å; A106-R146 HydrophobicContact CB-CB 4.29Å; E142-R146 WeakPolarHBondContact O-CG 3.43Å; E142-R146 PolarHBondContact O-N 3.42Å; E142-R146 IonicContact OE1-CZ 2.72Å; E142-R146 IonicContact OE1-NE 3.45Å; E142-R146 PolarHBondContact OE1-NE 3.43Å; E142-R146 IonicContact OE1-NH2 2.61Å; I143-R146 PolarHBondContact O-N 2.99Å; L144-R146 PolarHBondContact O-N 2.9Å; R146-R150 WeakPolarHBondContact O-CB 3.44Å; R146-R150 PolarHBondContact O-N 3Å
147T91.4Very high87.9Confident0 Ų044.4 Ų44.40%021%0.21CC..Hα-helixtrans-62.1-52.9174.6-60.10000110.3A106 L109 I110 L113 I143 L144 R145 A149 R150 L151A106-T147 WeakPolarHBondContact CA-OG1 3.42Å; A106-T147 WeakPolarHBondContact CB-OG1 3.41Å; L109-T147 HydrophobicContact CB-CG2 4.27Å; L109-T147 HydrophobicContact CD2-CG2 3.98Å; L109-T147 HydrophobicContact CG-CG2 3.91Å; I110-T147 HydrophobicContact CG1-CG2 3.59Å; L113-T147 HydrophobicContact CD1-CG2 3.64Å; I143-T147 VanDerWaalsContact O-CB 3.32Å; I143-T147 WeakPolarHBondContact O-CB 3.36Å; I143-T147 PolarHBondContact O-N 3.26Å; I143-T147 PolarHBondContact O-OG1 3.48Å; L144-T147 WeakPolarHBondContact O-CB 3.32Å; L144-T147 PolarHBondContact O-N 2.81Å; R145-T147 VanDerWaalsContact C-N 3.35Å; T147-A149 PolarHBondContact O-N 3.02Å; T147-R150 PolarHBondContact O-N 3.41Å; T147-L151 HydrophobicContact CG2-CD1 3.76Å; T147-L151 HydrophobicContact CG2-CG 4.35Å; T147-L151 WeakPolarHBondContact O-CB 3.49Å; T147-L151 WeakPolarHBondContact O-CG 3.31Å; T147-L151 PolarHBondContact O-N 3.09Å
148S90Very high87.7Confident27 Ų2739.9 Ų39.919%0.18919%0.191CC..Hα-helixtrans-58.8-44.9177.5-60.70000111.9L144 R145 R150 L151 E152L144-S148 PolarHBondContact O-N 2.7Å; L144-S148 PolarHBondContact O-OG 2.95Å; L144-S148 VanDerWaalsContact O-OG 3.13Å; R145-S148 PolarHBondContact O-N 2.7Å; S148-R150 VanDerWaalsContact C-N 3.33Å; S148-R150 PolarHBondContact O-N 3.11Å; S148-L151 PolarHBondContact O-N 3.27Å; S148-E152 WeakPolarHBondContact O-CG 3.3Å; S148-E152 PolarHBondContact O-N 2.77Å
149A85.3Confident87.7Confident25 Ų2532.2 Ų32.221%0.20716%0.155CC..Hα-helixtrans-59.5-42.6177.200000112.3R145 T147 E152 L153R145-A149 WeakPolarHBondContact O-CB 3.47Å; R145-A149 PolarHBondContact O-N 3.42Å; T147-A149 PolarHBondContact O-N 3.02Å; A149-E152 PolarHBondContact O-N 3.35Å; A149-L153 VanDerWaalsContact O-CB 3.26Å; A149-L153 WeakPolarHBondContact O-CB 3.49Å; A149-L153 PolarHBondContact O-N 2.96Å
150R84.1Confident87.6Confident45 Ų4533.9 Ų33.917%0.1716%0.161CC..Hα-helixtrans-74.2-34.2178.6-168.1165.8175.7-121.5-0.8112.4I110 R146 T147 S148 E152 V154 V221I110-R150 HydrophobicContact CD1-CB 3.82Å; I110-R150 HydrophobicContact CD1-CG 3.85Å; R146-R150 WeakPolarHBondContact O-CB 3.44Å; R146-R150 PolarHBondContact O-N 3Å; T147-R150 PolarHBondContact O-N 3.41Å; S148-R150 VanDerWaalsContact C-N 3.33Å; S148-R150 PolarHBondContact O-N 3.11Å; R150-E152 VanDerWaalsContact C-N 3.31Å; R150-V154 HydrophobicContact CG-CB 4.33Å; R150-V154 HydrophobicContact CG-CG2 3.78Å; R150-V154 VanDerWaalsContact O-CB 3.29Å; R150-V154 WeakPolarHBondContact O-CB 3.4Å; R150-V154 PolarHBondContact O-N 2.83Å; R150-V221 VanDerWaalsContact CZ-O 3.22Å; R150-V221 PolarHBondContact NE-O 3.27Å; R150-V221 PolarHBondContact NH2-O 3.45Å
151L87.4Confident87.6Confident0 Ų037.7 Ų37.70%018%0.179CC..Hα-helixtrans-57.8-44.5170.1-76169.1000111.6I110 L113 L114 T147 S148 F155 G156 L157 L171I110-L151 HydrophobicContact CG1-CG 4.35Å; I110-L151 HydrophobicContact CG2-CD2 4.3Å; L113-L151 HydrophobicContact CB-CD1 4.43Å; L113-L151 HydrophobicContact CD1-CD1 3.68Å; L114-L151 HydrophobicContact CD2-CD2 4.04Å; L114-L151 HydrophobicContact CG-CD2 4.33Å; T147-L151 HydrophobicContact CG2-CD1 3.76Å; T147-L151 HydrophobicContact CG2-CG 4.35Å; T147-L151 WeakPolarHBondContact O-CB 3.49Å; T147-L151 WeakPolarHBondContact O-CG 3.31Å; T147-L151 PolarHBondContact O-N 3.09Å; S148-L151 PolarHBondContact O-N 3.27Å; L151-F155 HydrophobicContact CD2-CD2 4.02Å; L151-F155 CarbonylContact O-C 3.54Å; L151-F155 WeakPolarHBondContact O-CA 3.5Å; L151-F155 WeakPolarHBondContact O-CB 3.38Å; L151-F155 PolarHBondContact O-N 3.16Å; L151-F155 VanDerWaalsContact O-N 3.15Å; L151-G156 PolarHBondContact O-N 2.91Å; L151-L157 CarbonylContact C-O 3.59Å; L151-L157 HydrophobicContact CB-CB 4.49Å; L151-L157 PolarHBondContact O-N 2.8Å; L151-L171 HydrophobicContact CD1-CD1 3.85Å; L151-L171 HydrophobicContact CD2-CD1 4.41Å; L151-L171 HydrophobicContact CD2-CD2 4.09Å; L151-L171 HydrophobicContact CG-CD1 4.49Å
152E84.5Confident87.6Confident29 Ų2938.8 Ų38.814%0.13618%0.18CC..Hα-helixtrans-71.9-49.8179.1-70.3-172.8-170.300112.4S148 A149 R150 G156 L157 K174 V285S148-E152 WeakPolarHBondContact O-CG 3.3Å; S148-E152 PolarHBondContact O-N 2.77Å; A149-E152 PolarHBondContact O-N 3.35Å; R150-E152 VanDerWaalsContact C-N 3.31Å; E152-G156 VanDerWaalsContact O-CA 3.27Å; E152-G156 WeakPolarHBondContact O-CA 3.49Å; E152-G156 PolarHBondContact O-N 3.04Å; E152-L157 VanDerWaalsContact CA-O 3.23Å; E152-L157 WeakPolarHBondContact CA-O 3.24Å; E152-L157 WeakPolarHBondContact CG-O 3.33Å; E152-L157 PolarHBondContact N-O 2.88Å; E152-L157 VanDerWaalsContact N-O 3.08Å; E152-K174 HydrophobicContact CG-CD 4.17Å; E152-K174 IonicContact OE1-NZ 3.4Å; E152-K174 PolarHBondContact OE1-NZ 3.43Å; E152-K174 IonicContact OE2-NZ 3.48Å; E152-K174 PolarHBondContact OE2-NZ 3.08Å; E152-V285 HydrophobicContact CB-CG2 4.4Å
153L80.1Confident87.6Confident32 Ų3238.3 Ų38.317%0.16818%0.18CC..Hα-helixtrans-67.2-54-174.9-176.467.9000111.4A149 G193 S197 V221 V285A149-L153 VanDerWaalsContact O-CB 3.26Å; A149-L153 WeakPolarHBondContact O-CB 3.49Å; A149-L153 PolarHBondContact O-N 2.96Å; L153-G193 CarbonylContact O-C 3.47Å; L153-S197 WeakPolarHBondContact CD1-OG 3.45Å; L153-S197 WeakPolarHBondContact CG-OG 3.06Å; L153-S197 PolarHBondContact O-OG 3.15Å; L153-V221 HydrophobicContact CD2-CG1 4.16Å; L153-V285 HydrophobicContact CB-CG1 4.01Å; L153-V285 HydrophobicContact CB-CG2 4.13Å; L153-V285 HydrophobicContact CD1-CG1 4.14Å; L153-V285 HydrophobicContact CD1-CG2 4.1Å; L153-V285 HydrophobicContact CD2-CG1 4.35Å; L153-V285 HydrophobicContact CG-CG1 4.39Å
154V80.9Confident87.5Confident0 Ų042.6 Ų42.60%021%0.208CC..Hα-helixtrans-85-45.2-170.7179.30000110.7R150 G193 L194 V221 F232R150-V154 HydrophobicContact CG-CB 4.33Å; R150-V154 HydrophobicContact CG-CG2 3.78Å; R150-V154 VanDerWaalsContact O-CB 3.29Å; R150-V154 WeakPolarHBondContact O-CB 3.4Å; R150-V154 PolarHBondContact O-N 2.83Å; V154-G193 CarbonylContact O-C 3.59Å; V154-L194 HydrophobicContact CG1-CD1 4.44Å; V154-L194 PolarHBondContact O-N 2.82Å; V154-V221 HydrophobicContact CG2-CB 3.81Å; V154-V221 HydrophobicContact CG2-CG1 4.27Å; V154-V221 HydrophobicContact CG2-CG2 4.22Å; V154-F232 HydrophobicContact CG1-CE2 3.46Å; V154-F232 VanDerWaalsContact CG1-CE2 3.46Å; V154-F232 HydrophobicContact CG1-CZ 3.68Å; V154-F232 VanDerWaalsContact O-CZ 3.31Å; V154-F232 WeakPolarHBondContact O-CZ 3.35Å
155F79.2Confident87.3Confident5 Ų546.4 Ų46.42%0.02224%0.236CC..Hα-helixtrans-99.3-10.1-170.2-56.3-65000113.5I110 L114 L151 L157 H229 I231 F232I110-F155 HydrophobicContact CG2-CD2 4.33Å; I110-F155 HydrophobicContact CG2-CE2 3.68Å; I110-F155 HydrophobicContact CG2-CZ 4.33Å; L114-F155 HydrophobicContact CD1-CE2 4.44Å; L114-F155 HydrophobicContact CD1-CZ 4.36Å; L114-F155 HydrophobicContact CD2-CB 4.49Å; L114-F155 HydrophobicContact CD2-CG 4.26Å; L151-F155 HydrophobicContact CD2-CD2 4.02Å; L151-F155 CarbonylContact O-C 3.54Å; L151-F155 WeakPolarHBondContact O-CA 3.5Å; L151-F155 WeakPolarHBondContact O-CB 3.38Å; L151-F155 PolarHBondContact O-N 3.16Å; L151-F155 VanDerWaalsContact O-N 3.15Å; F155-L157 HydrophobicContact CB-CB 4.42Å; F155-L157 HydrophobicContact CB-CD1 3.94Å; F155-L157 HydrophobicContact CB-CG 3.96Å; F155-L157 PolarHBondContact O-N 3.16Å; F155-H229 AromaticContact CE1-CE1 3.49Å; F155-H229 VanDerWaalsContact CE1-CE1 3.49Å; F155-H229 WeakPolarHBondContact CE1-CE1 3.35Å; F155-H229 AromaticContact CZ-CE1 3.58Å; F155-H229 AromaticContact CZ-NE2 4Å; F155-I231 HydrophobicContact CD1-CB 4.22Å; F155-I231 HydrophobicContact CD1-CD1 3.19Å; F155-I231 HydrophobicContact CD1-CG1 4.2Å; F155-I231 HydrophobicContact CD1-CG2 4.1Å; F155-I231 HydrophobicContact CE1-CB 3.95Å; F155-I231 HydrophobicContact CE1-CD1 3.17Å; F155-I231 HydrophobicContact CE1-CG1 3.93Å; F155-I231 HydrophobicContact CE1-CG2 4.31Å; F155-I231 HydrophobicContact CG-CD1 4.07Å; F155-I231 HydrophobicContact CZ-CD1 4.01Å; F155-F232 AromaticContact CD1-CE2 3.98Å; F155-F232 HydrophobicContact CD1-CE2 3.98Å; F155-F232 AromaticContact CD1-CZ 3.68Å; F155-F232 HydrophobicContact CD1-CZ 3.68Å; F155-F232 AromaticContact CE1-CE2 3.47Å; F155-F232 HydrophobicContact CE1-CE2 3.47Å; F155-F232 VanDerWaalsContact CE1-CE2 3.47Å; F155-F232 AromaticContact CE1-CZ 3.69Å; F155-F232 HydrophobicContact CE1-CZ 3.69Å; F155-F232 HydrophobicContact CZ-CE2 4.34Å
156G81.6Confident87.2Confident0 Ų043.3 Ų43.30%023%0.232CC..  trans64.727.7-17600000113.5L151 E152 K174L151-G156 PolarHBondContact O-N 2.91Å; E152-G156 VanDerWaalsContact O-CA 3.27Å; E152-G156 WeakPolarHBondContact O-CA 3.49Å; E152-G156 PolarHBondContact O-N 3.04Å; G156-K174 PolarHBondContact O-N 3.36Å
157L85.4Confident87.4Confident0 Ų044.7 Ų44.70%024%0.241CC..EExtended strand (participates in β ladder)trans-113.8137-176.5-60177.2000110.8L114 F117 L151 E152 F155 L171 V172 L189 P190L114-L157 HydrophobicContact CD2-CD1 3.6Å; F117-L157 HydrophobicContact CD2-CD2 4.33Å; F117-L157 HydrophobicContact CE1-CD2 4.42Å; F117-L157 HydrophobicContact CE2-CD2 3.82Å; F117-L157 HydrophobicContact CG-CD1 4.46Å; F117-L157 HydrophobicContact CZ-CD2 3.86Å; L151-L157 CarbonylContact C-O 3.59Å; L151-L157 HydrophobicContact CB-CB 4.49Å; L151-L157 PolarHBondContact O-N 2.8Å; E152-L157 VanDerWaalsContact CA-O 3.23Å; E152-L157 WeakPolarHBondContact CA-O 3.24Å; E152-L157 WeakPolarHBondContact CG-O 3.33Å; E152-L157 PolarHBondContact N-O 2.88Å; E152-L157 VanDerWaalsContact N-O 3.08Å; F155-L157 HydrophobicContact CB-CB 4.42Å; F155-L157 HydrophobicContact CB-CD1 3.94Å; F155-L157 HydrophobicContact CB-CG 3.96Å; F155-L157 PolarHBondContact O-N 3.16Å; L157-L171 HydrophobicContact CB-CD1 3.79Å; L157-L171 HydrophobicContact CB-CD2 4.17Å; L157-L171 HydrophobicContact CB-CG 3.87Å; L157-L171 HydrophobicContact CD1-CD2 3.54Å; L157-L171 HydrophobicContact CD1-CG 4.03Å; L157-L171 HydrophobicContact CG-CD2 4.43Å; L157-L171 HydrophobicContact CG-CG 4.44Å; L157-V172 CarbonylContact C-O 3.59Å; L157-V172 VanDerWaalsContact CA-O 3.31Å; L157-V172 WeakPolarHBondContact CA-O 3.07Å; L157-L189 HydrophobicContact CD1-CD2 4.22Å; L157-P190 HydrophobicContact CD2-CG 4.08Å
158E88.2Confident87.5Confident54 Ų5445.5 Ų45.525%0.25225%0.247SC..EExtended strand (participates in β ladder)trans-106.1126.2175.5-176.6162.7-14000109.9K160 L171 V172 K174 K284E158-K160 PolarHBondContact O-N 3.22Å; E158-L171 WeakPolarHBondContact O-CA 3.43Å; E158-V172 HydrophobicContact CB-CG2 3.99Å; E158-V172 PolarHBondContact N-O 3.08Å; E158-V172 WeakPolarHBondContact O-CG2 3.26Å; E158-V172 PolarHBondContact O-N 3.27Å; E158-K174 HydrophobicContact CB-CB 4.08Å; E158-K174 HydrophobicContact CB-CD 3.9Å; E158-K174 HydrophobicContact CB-CG 4.11Å; E158-K174 HydrophobicContact CG-CD 4.39Å; E158-K174 VanDerWaalsContact OE1-CE 3.24Å; E158-K174 WeakPolarHBondContact OE1-CE 3.24Å; E158-K174 IonicContact OE1-NZ 2.91Å; E158-K174 PolarHBondContact OE1-NZ 2.99Å; E158-K174 VanDerWaalsContact OE2-CE 3.27Å; E158-K174 WeakPolarHBondContact OE2-CE 3.43Å; E158-K174 IonicContact OE2-NZ 3.98Å; E158-K284 IonicContact OE1-NZ 2.71Å
159L91.5Very high87.7Confident21 Ų2145.2 Ų45.211%0.1124%0.242CC..EExtended strand (participates in β ladder)trans-82.6101.4170.2-173.767.7000108.3L113 V123 M128 L144 Y169 L171L113-L159 HydrophobicContact CD1-CD1 4.5Å; L113-L159 HydrophobicContact CD1-CD2 4.32Å; L113-L159 HydrophobicContact CD2-CD1 4.19Å; V123-L159 HydrophobicContact CG1-CD1 4.43Å; M128-L159 HydrophobicContact SD-CD2 4.16Å; L144-L159 HydrophobicContact CD1-CD2 3.69Å; L159-Y169 HydrophobicContact CG-CD1 4.3Å; L159-Y169 HydrophobicContact CG-CG 4.38Å; L159-L171 HydrophobicContact CB-CD1 4.1Å; L159-L171 HydrophobicContact CD1-CD1 4.23Å
160K91.1Very high88.1Confident123 Ų12346.7 Ų46.754%0.53525%0.246SC..EExtended strand (participates in β ladder)trans-100.9129.4-175-173.2175.1-179.7-179.90110.8E158 I162 Y169 L170 V172E158-K160 PolarHBondContact O-N 3.22Å; K160-I162 PolarHBondContact O-N 2.63Å; K160-Y169 CarbonylContact O-C 3.53Å; K160-Y169 VanDerWaalsContact O-CA 3.23Å; K160-Y169 WeakPolarHBondContact O-CA 3.36Å; K160-L170 PolarHBondContact N-O 2.74Å; K160-L170 PolarHBondContact O-N 3.1Å; K160-V172 HydrophobicContact CB-CG2 4.26Å
161E92.7Very high88.3Confident81 Ų8145 Ų4538%0.37924%0.24SC..EExtended strand (participates in β ladder)trans-71.5126170.4-164.8163.1-145.100109.4H167 Y169E161-H167 IonicContact OE1-ND1 3.44Å; E161-H167 PolarHBondContact OE1-ND1 3.39Å; E161-Y169 HydrophobicContact CB-CD1 3.77Å; E161-Y169 HydrophobicContact CB-CE1 3.64Å; E161-Y169 HydrophobicContact CG-CD1 4.09Å; E161-Y169 HydrophobicContact CG-CE1 3.7Å; E161-Y169 PolarHBondContact OE1-OH 2.93Å; E161-Y169 VanDerWaalsContact OE1-OH 3.11Å
162I93.4Very high88.2Confident93 Ų9347.1 Ų47.148%0.47725%0.253SS..EExtended strand (participates in β ladder)trans-103.3-26.7179.957.7166.5000111.9A122 K160 S168 L170A122-I162 HydrophobicContact CB-CD1 3.86Å; K160-I162 PolarHBondContact O-N 2.63Å; I162-S168 VanDerWaalsContact CG1-O 3.26Å; I162-S168 WeakPolarHBondContact CG1-O 3.43Å; I162-S168 PolarHBondContact N-O 2.83Å; I162-L170 HydrophobicContact CG2-CB 3.71Å
163D90.4Very high88Confident52 Ų5248.3 Ų48.328%0.27827%0.273SS..EExtended strand (participates in β ladder)trans-147.2108.2178.3176.810.9000110S165 T166 H167 S168D163-S165 VanDerWaalsContact C-N 3.26Å; D163-S165 VanDerWaalsContact CG-OG 3.25Å; D163-S165 PolarHBondContact O-N 2.65Å; D163-S165 WeakPolarHBondContact OD1-CB 3.48Å; D163-S165 PolarHBondContact OD1-N 3.49Å; D163-S165 PolarHBondContact OD1-OG 3.32Å; D163-S165 PolarHBondContact OD2-OG 2.96Å; D163-S165 VanDerWaalsContact OD2-OG 3.1Å; D163-T166 VanDerWaalsContact CG-OG1 3.23Å; D163-T166 WeakPolarHBondContact OD2-CB 3.23Å; D163-T166 VanDerWaalsContact OD2-CG2 3.24Å; D163-T166 WeakPolarHBondContact OD2-CG2 3.3Å; D163-T166 PolarHBondContact OD2-OG1 3.28Å; D163-H167 WeakPolarHBondContact O-CA 3.26Å; D163-H167 PolarHBondContact O-N 3.02Å; D163-H167 VanDerWaalsContact O-N 3.08Å; D163-S168 PolarHBondContact N-O 3.48Å; D163-S168 PolarHBondContact O-N 3.47Å
164P89.8Confident87.4Confident90 Ų9049.1 Ų49.158%0.58428%0.275SS*.THydrogen-bonded Turntrans-65.4-26177.3-21.633.5000113.8H167P164-H167 PolarHBondContact O-CE1 2.93Å; P164-H167 PolarHBondContact O-ND1 3.29Å
165S88.3Confident86.4Confident100 Ų10050.6 Ų50.670%0.69928%0.283SS*.THydrogen-bonded Turntrans-73.3-36.2-175.5720000112.4D163D163-S165 VanDerWaalsContact C-N 3.26Å; D163-S165 VanDerWaalsContact CG-OG 3.25Å; D163-S165 PolarHBondContact O-N 2.65Å; D163-S165 WeakPolarHBondContact OD1-CB 3.48Å; D163-S165 PolarHBondContact OD1-N 3.49Å; D163-S165 PolarHBondContact OD1-OG 3.32Å; D163-S165 PolarHBondContact OD2-OG 2.96Å; D163-S165 VanDerWaalsContact OD2-OG 3.1Å
166T88.3Confident85Confident73 Ų7354.3 Ų54.345%0.44832%0.322SS..THydrogen-bonded Turntrans-98.5-2.9176.859.10000112.9D163 S168D163-T166 VanDerWaalsContact CG-OG1 3.23Å; D163-T166 WeakPolarHBondContact OD2-CB 3.23Å; D163-T166 VanDerWaalsContact OD2-CG2 3.24Å; D163-T166 WeakPolarHBondContact OD2-CG2 3.3Å; D163-T166 PolarHBondContact OD2-OG1 3.28Å; T166-S168 VanDerWaalsContact C-N 3.27Å; T166-S168 PolarHBondContact O-N 3.45Å; T166-S168 WeakPolarHBondContact OG1-CB 3.42Å; T166-S168 PolarHBondContact OG1-OG 2.86Å
167H91.4Very high83.5Confident88 Ų8855.7 Ų55.741%0.40733%0.33SS..THydrogen-bonded Turntrans47.452.7-168.6-61.2-61.3000111.4T124 R125 E161 D163 P164 Y169T124-H167 CarbonylContact C-O 3.58Å; T124-H167 WeakPolarHBondContact CA-O 3.43Å; R125-H167 HydrophobicContact CB-CB 3.74Å; R125-H167 PolarHBondContact N-O 3.38Å; E161-H167 IonicContact OE1-ND1 3.44Å; E161-H167 PolarHBondContact OE1-ND1 3.39Å; D163-H167 WeakPolarHBondContact O-CA 3.26Å; D163-H167 PolarHBondContact O-N 3.02Å; D163-H167 VanDerWaalsContact O-N 3.08Å; P164-H167 PolarHBondContact O-CE1 2.93Å; P164-H167 PolarHBondContact O-ND1 3.29Å; H167-Y169 HydrophobicContact CB-CE2 4.19Å; H167-Y169 VanDerWaalsContact O-CD2 3.3Å; H167-Y169 WeakPolarHBondContact O-CD2 3.47Å; H167-Y169 WeakPolarHBondContact O-CE2 3.22Å
168S93.5Very high81.5Confident17 Ų1760.4 Ų60.412%0.11936%0.363CS..EExtended strand (participates in β ladder)trans-98.4137.7178.3-64.20000110.6I162 D163 T166I162-S168 VanDerWaalsContact CG1-O 3.26Å; I162-S168 WeakPolarHBondContact CG1-O 3.43Å; I162-S168 PolarHBondContact N-O 2.83Å; D163-S168 PolarHBondContact N-O 3.48Å; D163-S168 PolarHBondContact O-N 3.47Å; T166-S168 VanDerWaalsContact C-N 3.27Å; T166-S168 PolarHBondContact O-N 3.45Å; T166-S168 WeakPolarHBondContact OG1-CB 3.42Å; T166-S168 PolarHBondContact OG1-OG 2.86Å
169Y94.4Very high79.5Confident21 Ų2159.5 Ų59.58%0.08236%0.36CS..EExtended strand (participates in β ladder)trans-126.5153.1-175.5-54.9-92.6000110.6A122 V123 R125 M128 L159 K160 E161 H167A122-Y169 CarbonylContact C-O 3.13Å; A122-Y169 VanDerWaalsContact CA-O 3.29Å; A122-Y169 WeakPolarHBondContact CA-O 3.25Å; V123-Y169 PolarHBondContact N-O 3.12Å; V123-Y169 PolarHBondContact O-N 3.39Å; R125-Y169 HydrophobicContact CB-CE2 4.13Å; M128-Y169 HydrophobicContact CE-CD2 3.33Å; M128-Y169 HydrophobicContact CE-CE2 3.56Å; M128-Y169 HydrophobicContact CE-CG 4.07Å; L159-Y169 HydrophobicContact CG-CD1 4.3Å; L159-Y169 HydrophobicContact CG-CG 4.38Å; K160-Y169 CarbonylContact O-C 3.53Å; K160-Y169 VanDerWaalsContact O-CA 3.23Å; K160-Y169 WeakPolarHBondContact O-CA 3.36Å; E161-Y169 HydrophobicContact CB-CD1 3.77Å; E161-Y169 HydrophobicContact CB-CE1 3.64Å; E161-Y169 HydrophobicContact CG-CD1 4.09Å; E161-Y169 HydrophobicContact CG-CE1 3.7Å; E161-Y169 PolarHBondContact OE1-OH 2.93Å; E161-Y169 VanDerWaalsContact OE1-OH 3.11Å; H167-Y169 HydrophobicContact CB-CE2 4.19Å; H167-Y169 VanDerWaalsContact O-CD2 3.3Å; H167-Y169 WeakPolarHBondContact O-CD2 3.47Å; H167-Y169 WeakPolarHBondContact O-CE2 3.22Å
170L93.1Very high76.9Confident56 Ų5667.4 Ų67.429%0.29340%0.397SS..EExtended strand (participates in β ladder)trans-129.2135.4171.2-173.767.4000108.8K160 I162 V172K160-L170 PolarHBondContact N-O 2.74Å; K160-L170 PolarHBondContact O-N 3.1Å; I162-L170 HydrophobicContact CG2-CB 3.71Å; L170-V172 HydrophobicContact CD2-CG1 3.96Å; L170-V172 HydrophobicContact CG-CG1 4.06Å
171L90Very high74.7Confident11 Ų1164.6 Ų64.66%0.05840%0.403CS..EExtended strand (participates in β ladder)trans-84.5125.7172.9-164.564.7000108.7L113 L114 F117 L151 L157 E158 L159L113-L171 HydrophobicContact CB-CD2 4.34Å; L114-L171 HydrophobicContact CD2-CD2 4.46Å; F117-L171 HydrophobicContact CB-CB 4.21Å; F117-L171 HydrophobicContact CB-CD2 3.77Å; F117-L171 HydrophobicContact CB-CG 4.35Å; F117-L171 HydrophobicContact CD2-CB 3.89Å; F117-L171 HydrophobicContact CD2-CD2 4.21Å; F117-L171 HydrophobicContact CD2-CG 3.98Å; F117-L171 VanDerWaalsContact CD2-O 3.22Å; F117-L171 WeakPolarHBondContact CD2-O 3.43Å; F117-L171 WeakPolarHBondContact CE2-O 3.16Å; F117-L171 HydrophobicContact CG-CD2 4.22Å; F117-L171 HydrophobicContact CG-CG 4.49Å; L151-L171 HydrophobicContact CD1-CD1 3.85Å; L151-L171 HydrophobicContact CD2-CD1 4.41Å; L151-L171 HydrophobicContact CD2-CD2 4.09Å; L151-L171 HydrophobicContact CG-CD1 4.49Å; L157-L171 HydrophobicContact CB-CD1 3.79Å; L157-L171 HydrophobicContact CB-CD2 4.17Å; L157-L171 HydrophobicContact CB-CG 3.87Å; L157-L171 HydrophobicContact CD1-CD2 3.54Å; L157-L171 HydrophobicContact CD1-CG 4.03Å; L157-L171 HydrophobicContact CG-CD2 4.43Å; L157-L171 HydrophobicContact CG-CG 4.44Å; E158-L171 WeakPolarHBondContact O-CA 3.43Å; L159-L171 HydrophobicContact CB-CD1 4.1Å; L159-L171 HydrophobicContact CD1-CD1 4.23Å
172V85.3Confident72.6Confident43 Ų4363.2 Ų63.226%0.26140%0.402SS..EExtended strand (participates in β ladder)trans-128.9149.6-176.3-60.60000111.4L157 E158 K160 L170L157-V172 CarbonylContact C-O 3.59Å; L157-V172 VanDerWaalsContact CA-O 3.31Å; L157-V172 WeakPolarHBondContact CA-O 3.07Å; E158-V172 HydrophobicContact CB-CG2 3.99Å; E158-V172 PolarHBondContact N-O 3.08Å; E158-V172 WeakPolarHBondContact O-CG2 3.26Å; E158-V172 PolarHBondContact O-N 3.27Å; K160-V172 HydrophobicContact CB-CG2 4.26Å; L170-V172 HydrophobicContact CD2-CG1 3.96Å; L170-V172 HydrophobicContact CG-CG1 4.06Å
173G78.8Confident70.7Confident54 Ų5458.9 Ų58.956%0.55738%0.38SS*.EExtended strand (participates in β ladder)trans-70128.9174.400000111.5
174K68.6Low68.9Low49 Ų4959.4 Ų59.421%0.21339%0.388CS..  trans-106-28.4-172-162.1-176.2-157.7149.60114.2E152 G156 E158 G176 K284E152-K174 HydrophobicContact CG-CD 4.17Å; E152-K174 IonicContact OE1-NZ 3.4Å; E152-K174 PolarHBondContact OE1-NZ 3.43Å; E152-K174 IonicContact OE2-NZ 3.48Å; E152-K174 PolarHBondContact OE2-NZ 3.08Å; G156-K174 PolarHBondContact O-N 3.36Å; E158-K174 HydrophobicContact CB-CB 4.08Å; E158-K174 HydrophobicContact CB-CD 3.9Å; E158-K174 HydrophobicContact CB-CG 4.11Å; E158-K174 HydrophobicContact CG-CD 4.39Å; E158-K174 VanDerWaalsContact OE1-CE 3.24Å; E158-K174 WeakPolarHBondContact OE1-CE 3.24Å; E158-K174 IonicContact OE1-NZ 2.91Å; E158-K174 PolarHBondContact OE1-NZ 2.99Å; E158-K174 VanDerWaalsContact OE2-CE 3.27Å; E158-K174 WeakPolarHBondContact OE2-CE 3.43Å; E158-K174 IonicContact OE2-NZ 3.98Å; K174-G176 PolarHBondContact O-N 3.03Å; K174-K284 VanDerWaalsContact CE-CE 3.44Å; K174-K284 VanDerWaalsContact NZ-NZ 3.2Å
175L60.5Low67.2Low32 Ų3255.6 Ų55.617%0.16836%0.363CS..  trans-94.698.5-174.9-76.7102.9000111.4L177 T192 M196 V281L175-L177 PolarHBondContact O-N 3.16Å; L175-T192 HydrophobicContact CB-CG2 4.03Å; L175-T192 HydrophobicContact CD2-CG2 4.3Å; L175-M196 HydrophobicContact CD2-CB 3.85Å; L175-M196 HydrophobicContact CD2-CE 4.17Å; L175-M196 HydrophobicContact CD2-CG 3.53Å; L175-V281 HydrophobicContact CD2-CG2 4.38Å
176G48.7Very low65.4Low82 Ų8258.9 Ų58.985%0.84537%0.373SS*.  trans-74.248.9173.100000114.1K174K174-G176 PolarHBondContact O-N 3.03Å
177L49.5Very low63.4Low30 Ų3062.2 Ų62.216%0.15738%0.378CS..  trans-73.2132151.3-62.3-169.8000105.9L175 T179 T192 M196L175-L177 PolarHBondContact O-N 3.16Å; L177-T179 PolarHBondContact O-N 2.97Å; L177-T192 HydrophobicContact CB-CG2 4.01Å; L177-T192 HydrophobicContact CD1-CG2 3.51Å; L177-T192 HydrophobicContact CG-CG2 3.77Å; L177-M196 HydrophobicContact CD1-SD 4.27Å
178S43.4Very low61.7Low99 Ų9960.6 Ų60.669%0.69239%0.385SS*.  trans-68.572.3168.5-170.80000107.8E180S178-E180 PolarHBondContact O-N 3.43Å
179T46.7Very low60.2Low34 Ų3460 Ų6021%0.20938%0.38CS..  trans-88.756.6168.3-45.70000107.4L177 G181 L183L177-T179 PolarHBondContact O-N 2.97Å; T179-G181 PolarHBondContact O-N 3.4Å; T179-L183 HydrophobicContact CG2-CB 3.55Å; T179-L183 HydrophobicContact CG2-CD1 4.46Å; T179-L183 HydrophobicContact CG2-CG 4.15Å; T179-L183 VanDerWaalsContact CG2-N 3.27Å
180E38.1Very low58.9Low187 Ų18760.5 Ų60.587%0.87439%0.386SS*.SBendtrans-73.876167.3-166.1151.9-167.400106.9S178S178-E180 PolarHBondContact O-N 3.43Å
181G43.7Very low57.8Low64 Ų6459.4 Ų59.466%0.6638%0.378SS*.SBendtrans143-41.8162.500000118.5T179T179-G181 PolarHBondContact O-N 3.4Å
182S49.4Very low57.2Low52 Ų5259.1 Ų59.136%0.36438%0.376SS..SBendtrans-98-42.6-161.2-153.40000116R191 E245S182-R191 PolarHBondContact O-NH2 2.96Å; S182-R191 VanDerWaalsContact O-NH2 3.16Å; S182-E245 PolarHBondContact OG-OE1 3.37Å; S182-E245 PolarHBondContact OG-OE2 3.2Å
183L52Low57Low2 Ų257.1 Ų57.11%0.0137%0.365CS..SBendtrans-105.426-171.9-62.1173.8000114.1T179 R191 L195 E245 Y247T179-L183 HydrophobicContact CG2-CB 3.55Å; T179-L183 HydrophobicContact CG2-CD1 4.46Å; T179-L183 HydrophobicContact CG2-CG 4.15Å; T179-L183 VanDerWaalsContact CG2-N 3.27Å; L183-R191 HydrophobicContact CB-CB 4.21Å; L183-R191 WeakPolarHBondContact O-CB 3.35Å; L183-R191 VanDerWaalsContact O-CG 3.26Å; L183-R191 WeakPolarHBondContact O-CG 3.25Å; L183-R191 PolarHBondContact O-N 2.73Å; L183-R191 VanDerWaalsContact O-N 3.09Å; L183-R191 PolarHBondContact O-NE 3.38Å; L183-L195 HydrophobicContact CD1-CD2 3.62Å; L183-E245 VanDerWaalsContact CD2-CD 3.45Å; L183-E245 VanDerWaalsContact CD2-OE1 3.26Å; L183-E245 WeakPolarHBondContact CD2-OE1 3.45Å; L183-E245 WeakPolarHBondContact CD2-OE2 3.4Å; L183-E245 WeakPolarHBondContact CG-OE2 3.44Å; L183-Y247 HydrophobicContact CD1-CD2 4.25Å; L183-Y247 HydrophobicContact CD1-CE2 3.53Å; L183-Y247 HydrophobicContact CG-CE2 4.33Å
184S53.4Low57.3Low64 Ų6454.5 Ų54.545%0.44834%0.338SS..BIsolated β-bridgetrans-77.1135.5166.267.60000108.5R191S184-R191 PolarHBondContact O-NE 3.2Å; S184-R191 VanDerWaalsContact O-NE 3.16Å; S184-R191 PolarHBondContact O-NH2 3.42Å
185S53.2Low58.2Low9 Ų952.2 Ų52.26%0.06333%0.328CS..  trans-69.5165.7168.970.50000109.8W187 G188 L189 I231S185-W187 PolarHBondContact O-N 2.75Å; S185-W187 PolarHBondContact OG-N 2.75Å; S185-G188 PolarHBondContact O-N 3.38Å; S185-L189 PolarHBondContact N-O 2.78Å; S185-L189 VanDerWaalsContact N-O 3.08Å; S185-L189 PolarHBondContact OG-N 3.27Å; S185-I231 WeakPolarHBondContact CB-O 3.38Å
186N50.5Low59.4Low170 Ų17051.2 Ų51.291%0.90932%0.323SS*.THydrogen-bonded Turntrans-56.5-12.1171.8-57.6-4.5000113
187W46.9Very low61.2Low143 Ų14347.7 Ų47.754%0.54229%0.285SS..THydrogen-bonded Turntrans-98.14175.9-71.992.5000114.2K118 S185 L189K118-W187 HydrophobicContact CD-CD2 4.47Å; K118-W187 HydrophobicContact CD-CE3 3.43Å; K118-W187 VanDerWaalsContact CD-CE3 3.43Å; K118-W187 HydrophobicContact CD-CZ3 3.59Å; K118-W187 HydrophobicContact CG-CE3 4.36Å; S185-W187 PolarHBondContact O-N 2.75Å; S185-W187 PolarHBondContact OG-N 2.75Å; W187-L189 HydrophobicContact CB-CD1 4.1Å; W187-L189 HydrophobicContact CB-CG 4.31Å; W187-L189 PolarHBondContact O-N 3Å
188G56.1Low63.2Low54 Ų5446.3 Ų46.356%0.55728%0.278SS*.SBendtrans71.516.2-17800000114.3S185S185-G188 PolarHBondContact O-N 3.38Å
189L62.4Low65.5Low3 Ų341.7 Ų41.72%0.01625%0.245CC..  trans-91.8146.1-178.9-67.2166.6000111.1F117 L157 S185 W187 R191 I231F117-L189 HydrophobicContact CD1-CD2 3.33Å; F117-L189 HydrophobicContact CE1-CD2 3.46Å; F117-L189 VanDerWaalsContact CE1-CD2 3.46Å; F117-L189 HydrophobicContact CG-CD2 4.37Å; L157-L189 HydrophobicContact CD1-CD2 4.22Å; S185-L189 PolarHBondContact N-O 2.78Å; S185-L189 VanDerWaalsContact N-O 3.08Å; S185-L189 PolarHBondContact OG-N 3.27Å; W187-L189 HydrophobicContact CB-CD1 4.1Å; W187-L189 HydrophobicContact CB-CG 4.31Å; W187-L189 PolarHBondContact O-N 3Å; L189-R191 PolarHBondContact O-N 3.35Å; L189-I231 HydrophobicContact CB-CG2 3.85Å; L189-I231 HydrophobicContact CD1-CB 4.22Å; L189-I231 HydrophobicContact CD1-CD1 3.46Å; L189-I231 VanDerWaalsContact CD1-CD1 3.46Å; L189-I231 HydrophobicContact CD1-CG1 3.49Å; L189-I231 VanDerWaalsContact CD1-CG1 3.49Å; L189-I231 HydrophobicContact CD1-CG2 3.89Å
190P65.6Low67.5Low32 Ų3240.2 Ų40.221%0.20824%0.237CC..BIsolated β-bridgetrans-66.9117178.9-14.128000110.6L157 T192L157-P190 HydrophobicContact CD2-CG 4.08Å; P190-T192 PolarHBondContact O-N 3.18Å
191R71.8Confident70Confident33 Ų3331.8 Ų31.813%0.12520%0.199CC..THydrogen-bonded Turntrans-76.5-6.3166.8-59.7-175-97.3167.2-3.4112.3S182 L183 S184 L189 G193 L194 L195 F232 F238 D241S182-R191 PolarHBondContact O-NH2 2.96Å; S182-R191 VanDerWaalsContact O-NH2 3.16Å; L183-R191 HydrophobicContact CB-CB 4.21Å; L183-R191 WeakPolarHBondContact O-CB 3.35Å; L183-R191 VanDerWaalsContact O-CG 3.26Å; L183-R191 WeakPolarHBondContact O-CG 3.25Å; L183-R191 PolarHBondContact O-N 2.73Å; L183-R191 VanDerWaalsContact O-N 3.09Å; L183-R191 PolarHBondContact O-NE 3.38Å; S184-R191 PolarHBondContact O-NE 3.2Å; S184-R191 VanDerWaalsContact O-NE 3.16Å; S184-R191 PolarHBondContact O-NH2 3.42Å; L189-R191 PolarHBondContact O-N 3.35Å; R191-G193 VanDerWaalsContact C-N 3.31Å; R191-G193 PolarHBondContact O-N 2.94Å; R191-L194 PolarHBondContact O-N 2.89Å; R191-L195 PolarHBondContact O-N 3.02Å; R191-F232 HydrophobicContact CB-CD1 4.46Å; R191-F232 HydrophobicContact CG-CD1 4.22Å; R191-F238 HydrophobicContact CB-CE2 4.26Å; R191-D241 IonicContact NH1-OD2 2.7Å; R191-D241 PolarHBondContact NH1-OD2 2.85Å
192T76.7Confident72.4Confident5 Ų528.8 Ų28.83%0.03117%0.167CC..Hα-helixtrans-60.8-32.4-178-43.20000114L175 L177 P190 M196L175-T192 HydrophobicContact CB-CG2 4.03Å; L175-T192 HydrophobicContact CD2-CG2 4.3Å; L177-T192 HydrophobicContact CB-CG2 4.01Å; L177-T192 HydrophobicContact CD1-CG2 3.51Å; L177-T192 HydrophobicContact CG-CG2 3.77Å; P190-T192 PolarHBondContact O-N 3.18Å; T192-M196 HydrophobicContact CG2-CG 4.12Å; T192-M196 VanDerWaalsContact O-CB 3.29Å; T192-M196 WeakPolarHBondContact O-CB 3.34Å; T192-M196 WeakPolarHBondContact O-CG 3.42Å; T192-M196 PolarHBondContact O-N 3.14Å
193G80.9Confident74.4Confident1 Ų126.3 Ų26.31%0.0115%0.15CC..Hα-helixtrans-61.5-54.3179.200000112.2L153 V154 R191 L195 M196 S197L153-G193 CarbonylContact O-C 3.47Å; V154-G193 CarbonylContact O-C 3.59Å; R191-G193 VanDerWaalsContact C-N 3.31Å; R191-G193 PolarHBondContact O-N 2.94Å; G193-L195 PolarHBondContact O-N 3.41Å; G193-M196 PolarHBondContact O-N 3.48Å; G193-S197 PolarHBondContact O-N 3.46Å; G193-S197 PolarHBondContact O-OG 3.13Å
194L84.4Confident76.1Confident0 Ų030.1 Ų30.10%017%0.169CC..Hα-helixtrans-63.7-41.4179.7-172.760.2000111.7V154 R191 S197 V198 F217 L218 V221 V223 F232 F238V154-L194 HydrophobicContact CG1-CD1 4.44Å; V154-L194 PolarHBondContact O-N 2.82Å; R191-L194 PolarHBondContact O-N 2.89Å; L194-S197 WeakPolarHBondContact O-CB 3.17Å; L194-S197 PolarHBondContact O-N 3.39Å; L194-V198 WeakPolarHBondContact O-CG2 3.29Å; L194-V198 PolarHBondContact O-N 2.91Å; L194-F217 HydrophobicContact CD1-CE1 4.43Å; L194-L218 HydrophobicContact CD1-CD2 3.73Å; L194-L218 HydrophobicContact CD2-CD2 4.33Å; L194-L218 HydrophobicContact CG-CD2 4.32Å; L194-V221 HydrophobicContact CD1-CG2 4.47Å; L194-V223 HydrophobicContact CD2-CG2 4.43Å; L194-F232 HydrophobicContact CB-CD1 4.32Å; L194-F232 HydrophobicContact CB-CE1 3.7Å; L194-F232 HydrophobicContact CB-CE2 4.37Å; L194-F232 HydrophobicContact CB-CZ 3.76Å; L194-F232 HydrophobicContact CD2-CD1 3.88Å; L194-F232 HydrophobicContact CD2-CD2 3.71Å; L194-F232 HydrophobicContact CD2-CE1 4Å; L194-F232 HydrophobicContact CD2-CE2 3.85Å; L194-F232 HydrophobicContact CD2-CG 3.76Å; L194-F232 HydrophobicContact CD2-CZ 4.01Å; L194-F232 HydrophobicContact CG-CZ 4.46Å; L194-F238 HydrophobicContact CB-CE1 4.44Å; L194-F238 HydrophobicContact CB-CE2 4.49Å; L194-F238 HydrophobicContact CB-CZ 3.96Å; L194-F238 HydrophobicContact CD2-CD1 3.86Å; L194-F238 HydrophobicContact CD2-CE1 3.59Å; L194-F238 HydrophobicContact CD2-CE2 4.32Å; L194-F238 HydrophobicContact CD2-CG 4.34Å; L194-F238 HydrophobicContact CD2-CZ 3.85Å; L194-F238 HydrophobicContact CG-CE1 3.75Å; L194-F238 HydrophobicContact CG-CZ 3.8Å
195L87.4Confident77.8Confident1 Ų132.6 Ų32.61%0.00517%0.171CC..Hα-helixtrans-57.4-51174.2169.960.8000111.5L183 R191 G193 S197 V198 L199 F238 V242 Y247L183-L195 HydrophobicContact CD1-CD2 3.62Å; R191-L195 PolarHBondContact O-N 3.02Å; G193-L195 PolarHBondContact O-N 3.41Å; L195-S197 PolarHBondContact O-N 3.48Å; L195-V198 PolarHBondContact O-N 3.46Å; L195-V198 VanDerWaalsContact O-N 3.17Å; L195-L199 HydrophobicContact CD1-CD1 4.06Å; L195-L199 HydrophobicContact CD1-CG 4.04Å; L195-L199 HydrophobicContact CG-CD1 4.12Å; L195-L199 HydrophobicContact CG-CG 4.49Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 3.16Å; L195-F238 HydrophobicContact CB-CZ 4.32Å; L195-V242 HydrophobicContact CD1-CB 4.25Å; L195-V242 HydrophobicContact CD1-CG1 4.02Å; L195-Y247 HydrophobicContact CD1-CD1 4.39Å; L195-Y247 HydrophobicContact CD1-CG 4.08Å; L195-Y247 HydrophobicContact CD2-CD1 3.66Å; L195-Y247 HydrophobicContact CD2-CD2 3.88Å; L195-Y247 HydrophobicContact CD2-CE1 3.76Å; L195-Y247 HydrophobicContact CD2-CE2 4Å; L195-Y247 HydrophobicContact CD2-CG 3.69Å
196M86.4Confident79.4Confident10 Ų1034.2 Ų34.25%0.04919%0.19CC..Hα-helixtrans-62.7-32.4179.4-74.3-73.7-7000112.2L175 L177 T192 G193 L199 G200 T273 V278 V281L175-M196 HydrophobicContact CD2-CB 3.85Å; L175-M196 HydrophobicContact CD2-CE 4.17Å; L175-M196 HydrophobicContact CD2-CG 3.53Å; L177-M196 HydrophobicContact CD1-SD 4.27Å; T192-M196 HydrophobicContact CG2-CG 4.12Å; T192-M196 VanDerWaalsContact O-CB 3.29Å; T192-M196 WeakPolarHBondContact O-CB 3.34Å; T192-M196 WeakPolarHBondContact O-CG 3.42Å; T192-M196 PolarHBondContact O-N 3.14Å; G193-M196 PolarHBondContact O-N 3.48Å; M196-L199 HydrophobicContact SD-CD1 4.25Å; M196-G200 PolarHBondContact O-N 2.93Å; M196-T273 HydrophobicContact SD-CG2 4.18Å; M196-V278 HydrophobicContact CE-CG2 3.66Å; M196-V278 HydrophobicContact SD-CG2 4Å; M196-V281 HydrophobicContact CE-CG2 4.14Å
197S87.1Confident81.3Confident9 Ų928.4 Ų28.46%0.06316%0.159CC..Hα-helixtrans-67.5-45.6173.5-61.80000112.5L153 G193 L194 L195 G200 V201L153-S197 WeakPolarHBondContact CD1-OG 3.45Å; L153-S197 WeakPolarHBondContact CG-OG 3.06Å; L153-S197 PolarHBondContact O-OG 3.15Å; G193-S197 PolarHBondContact O-N 3.46Å; G193-S197 PolarHBondContact O-OG 3.13Å; L194-S197 WeakPolarHBondContact O-CB 3.17Å; L194-S197 PolarHBondContact O-N 3.39Å; L195-S197 PolarHBondContact O-N 3.48Å; S197-G200 CarbonylContact O-C 3.28Å; S197-G200 WeakPolarHBondContact O-CA 3.3Å; S197-G200 PolarHBondContact O-N 2.91Å; S197-G200 VanDerWaalsContact O-N 3.11Å; S197-V201 WeakPolarHBondContact O-CG2 3.39Å; S197-V201 PolarHBondContact O-N 2.83Å
198V90.8Very high83.5Confident1 Ų127.7 Ų27.71%0.00616%0.156CC..Hα-helixtrans-62.9-44.4176173.30000110.7L194 L195 G200 V201 I202 V214 F217 L218 L248L194-V198 WeakPolarHBondContact O-CG2 3.29Å; L194-V198 PolarHBondContact O-N 2.91Å; L195-V198 PolarHBondContact O-N 3.46Å; L195-V198 VanDerWaalsContact O-N 3.17Å; V198-G200 PolarHBondContact O-N 2.96Å; V198-V201 PolarHBondContact O-N 2.94Å; V198-V201 VanDerWaalsContact O-N 3.13Å; V198-I202 HydrophobicContact CG1-CD1 4.05Å; V198-I202 WeakPolarHBondContact O-CG1 3.43Å; V198-I202 PolarHBondContact O-N 3.35Å; V198-V214 HydrophobicContact CG1-CG1 4.12Å; V198-F217 HydrophobicContact CG2-CE1 4.4Å; V198-L218 HydrophobicContact CG2-CD2 4.21Å; V198-L248 HydrophobicContact CG1-CD1 3.79Å; V198-L248 HydrophobicContact CG1-CD2 4.47Å
199L91.9Very high85.4Confident1 Ų125.1 Ų25.11%0.00513%0.13CC..Hα-helixtrans-57.6-39.1172.3-69.5175.5000111.5L195 M196 F203 L248 W265 A269 T273 V278L195-L199 HydrophobicContact CD1-CD1 4.06Å; L195-L199 HydrophobicContact CD1-CG 4.04Å; L195-L199 HydrophobicContact CG-CD1 4.12Å; L195-L199 HydrophobicContact CG-CG 4.49Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 3.16Å; M196-L199 HydrophobicContact SD-CD1 4.25Å; L199-F203 WeakPolarHBondContact O-CB 3.26Å; L199-F203 PolarHBondContact O-N 3.5Å; L199-L248 HydrophobicContact CD2-CD2 3.59Å; L199-W265 HydrophobicContact CB-CZ2 3.83Å; L199-W265 HydrophobicContact CD2-CB 4.49Å; L199-W265 HydrophobicContact CD2-CD2 3.87Å; L199-W265 HydrophobicContact CD2-CG 3.74Å; L199-W265 PolarHBondContact O-NE1 3.08Å; L199-A269 HydrophobicContact CD1-CB 4.05Å; L199-A269 HydrophobicContact CD2-CB 3.76Å; L199-T273 HydrophobicContact CD1-CG2 4.02Å; L199-V278 HydrophobicContact CB-CG2 4.4Å
200G89.6Confident86.9Confident4 Ų427.5 Ų27.54%0.04114%0.144CC..Hα-helixtrans-61.6-45173.400000113.4M196 S197 V198 F203 M204M196-G200 PolarHBondContact O-N 2.93Å; S197-G200 CarbonylContact O-C 3.28Å; S197-G200 WeakPolarHBondContact O-CA 3.3Å; S197-G200 PolarHBondContact O-N 2.91Å; S197-G200 VanDerWaalsContact O-N 3.11Å; V198-G200 PolarHBondContact O-N 2.96Å; G200-F203 PolarHBondContact O-N 3.02Å; G200-M204 VanDerWaalsContact O-CG 3.29Å; G200-M204 WeakPolarHBondContact O-CG 3.32Å; G200-M204 PolarHBondContact O-N 3.29Å
201V90.7Very high88.2Confident10 Ų1028.8 Ų28.86%0.06115%0.148CC..Hα-helixtrans-61.2-47.4176.7173.30000111.3S197 V198 F203 M204 K205 F217S197-V201 WeakPolarHBondContact O-CG2 3.39Å; S197-V201 PolarHBondContact O-N 2.83Å; V198-V201 PolarHBondContact O-N 2.94Å; V198-V201 VanDerWaalsContact O-N 3.13Å; V201-F203 VanDerWaalsContact C-N 3.27Å; V201-F203 PolarHBondContact O-N 3.11Å; V201-M204 HydrophobicContact CB-CE 4.42Å; V201-M204 HydrophobicContact CG2-CE 4Å; V201-M204 PolarHBondContact O-N 3.44Å; V201-K205 WeakPolarHBondContact O-CG 3.31Å; V201-K205 PolarHBondContact O-N 3.32Å; V201-F217 HydrophobicContact CG1-CB 4.42Å; V201-F217 HydrophobicContact CG2-CB 4Å; V201-F217 HydrophobicContact CG2-CD1 3.83Å; V201-F217 HydrophobicContact CG2-CD2 3.53Å; V201-F217 HydrophobicContact CG2-CE1 4.21Å; V201-F217 HydrophobicContact CG2-CE2 3.94Å; V201-F217 HydrophobicContact CG2-CG 3.48Å; V201-F217 VanDerWaalsContact CG2-CG 3.48Å; V201-F217 HydrophobicContact CG2-CZ 4.28Å
202I93.8Very high89.1Confident0 Ų033.6 Ų33.60%017%0.172CC..Hα-helixtrans-59.9-41.9176.9-65164.2000110.5V198 K205 G206 N207 R208 A209 L248 F263V198-I202 HydrophobicContact CG1-CD1 4.05Å; V198-I202 WeakPolarHBondContact O-CG1 3.43Å; V198-I202 PolarHBondContact O-N 3.35Å; I202-K205 PolarHBondContact O-N 3.06Å; I202-G206 PolarHBondContact O-N 2.79Å; I202-N207 VanDerWaalsContact CG2-C 3.46Å; I202-N207 VanDerWaalsContact O-CA 3.27Å; I202-N207 WeakPolarHBondContact O-CA 3.38Å; I202-N207 PolarHBondContact O-N 3.36Å; I202-R208 PolarHBondContact O-N 3.41Å; I202-A209 HydrophobicContact CB-CB 4.48Å; I202-A209 HydrophobicContact CG1-CB 3.91Å; I202-L248 HydrophobicContact CD1-CD2 3.44Å; I202-L248 VanDerWaalsContact CD1-CD2 3.44Å; I202-F263 HydrophobicContact CD1-CB 3.77Å; I202-F263 HydrophobicContact CG1-CB 4.28Å
203F91.6Very high89.8Confident1 Ų135.7 Ų35.70%0.00418%0.181CC..Hα-helixtrans-64-44.3177.1178.4-132.6000112.2L199 G200 V201 K205 G206 W265 K275 L279 L296 L299 A300L199-F203 WeakPolarHBondContact O-CB 3.26Å; L199-F203 PolarHBondContact O-N 3.5Å; G200-F203 PolarHBondContact O-N 3.02Å; V201-F203 VanDerWaalsContact C-N 3.27Å; V201-F203 PolarHBondContact O-N 3.11Å; F203-K205 PolarHBondContact O-N 3.36Å; F203-G206 PolarHBondContact O-N 3.22Å; F203-G206 VanDerWaalsContact O-N 3.11Å; F203-W265 HydrophobicContact CB-CZ2 4.23Å; F203-K275 HydrophobicContact CD2-CB 4.24Å; F203-K275 HydrophobicContact CD2-CD 3.85Å; F203-K275 HydrophobicContact CD2-CG 3.93Å; F203-K275 HydrophobicContact CE1-CB 4.14Å; F203-K275 HydrophobicContact CE2-CB 3.9Å; F203-K275 HydrophobicContact CE2-CD 3.61Å; F203-K275 HydrophobicContact CE2-CG 3.92Å; F203-K275 HydrophobicContact CG-CG 4.43Å; F203-K275 HydrophobicContact CZ-CB 3.82Å; F203-K275 HydrophobicContact CZ-CD 4.34Å; F203-K275 HydrophobicContact CZ-CG 4.36Å; F203-L279 HydrophobicContact CE1-CB 4.18Å; F203-L279 HydrophobicContact CE1-CD1 4.42Å; F203-L296 HydrophobicContact CD1-CD2 4.47Å; F203-L296 HydrophobicContact CE1-CB 3.85Å; F203-L296 HydrophobicContact CE1-CD2 4.21Å; F203-L296 HydrophobicContact CE1-CG 4.46Å; F203-L296 HydrophobicContact CE2-CD2 4.37Å; F203-L296 HydrophobicContact CZ-CB 3.99Å; F203-L296 HydrophobicContact CZ-CD2 4.16Å; F203-L296 VanDerWaalsContact CZ-O 3.3Å; F203-L296 WeakPolarHBondContact CZ-O 3.04Å; F203-L299 HydrophobicContact CE2-CB 4Å; F203-L299 HydrophobicContact CZ-CB 4.16Å; F203-A300 HydrophobicContact CE1-CB 4.42Å; F203-A300 HydrophobicContact CZ-CB 3.99Å
204M87.2Confident90.3Very high82 Ų8235.6 Ų35.640%0.40418%0.18SC..Hα-helixtrans-60.4-30.4176.5-73-171.7-71.600113.1G200 V201 G206 L282 L296G200-M204 VanDerWaalsContact O-CG 3.29Å; G200-M204 WeakPolarHBondContact O-CG 3.32Å; G200-M204 PolarHBondContact O-N 3.29Å; V201-M204 HydrophobicContact CB-CE 4.42Å; V201-M204 HydrophobicContact CG2-CE 4Å; V201-M204 PolarHBondContact O-N 3.44Å; M204-G206 VanDerWaalsContact C-N 3.29Å; M204-G206 PolarHBondContact O-N 2.85Å; M204-L282 HydrophobicContact CE-CD1 4.26Å; M204-L282 HydrophobicContact CE-CD2 4.26Å; M204-L282 HydrophobicContact CG-CD2 3.92Å; M204-L282 HydrophobicContact SD-CD1 4.31Å; M204-L282 HydrophobicContact SD-CD2 3.45Å; M204-L282 WeakPolarHBondContact SD-CD2 3.41Å; M204-L296 HydrophobicContact CB-CD1 4.41Å; M204-L296 HydrophobicContact CG-CD1 3.69Å
205K88.5Confident90.7Very high115 Ų11537.6 Ų37.650%0.519%0.188SC..THydrogen-bonded Turntrans-87.19.1179-66.7-69-173.5157.90114.2V201 I202 F203 R208 A209 E213V201-K205 WeakPolarHBondContact O-CG 3.31Å; V201-K205 PolarHBondContact O-N 3.32Å; I202-K205 PolarHBondContact O-N 3.06Å; F203-K205 PolarHBondContact O-N 3.36Å; K205-R208 CarbonylContact C-O 3.59Å; K205-R208 WeakPolarHBondContact CB-O 3.32Å; K205-A209 HydrophobicContact CB-CB 4.2Å; K205-A209 HydrophobicContact CG-CB 4.26Å; K205-E213 WeakPolarHBondContact CD-OE1 3.18Å; K205-E213 WeakPolarHBondContact CE-OE1 3.31Å; K205-E213 IonicContact NZ-OE1 3.27Å; K205-E213 PolarHBondContact NZ-OE1 2.86Å
206G87.1Confident90.8Very high44 Ų4442.3 Ų42.345%0.45421%0.21SC..THydrogen-bonded Turntrans93.130.7177.200000113.9I202 F203 M204 R208I202-G206 PolarHBondContact O-N 2.79Å; F203-G206 PolarHBondContact O-N 3.22Å; F203-G206 VanDerWaalsContact O-N 3.11Å; M204-G206 VanDerWaalsContact C-N 3.29Å; M204-G206 PolarHBondContact O-N 2.85Å; G206-R208 VanDerWaalsContact C-N 3.27Å; G206-R208 PolarHBondContact O-N 3.31Å
207N90.6Very high90.9Very high47 Ų4743.9 Ų43.925%0.25122%0.216SC..SBendtrans73.111-177.3-42.6-79.6000114.9I202 K275I202-N207 VanDerWaalsContact CG2-C 3.46Å; I202-N207 VanDerWaalsContact O-CA 3.27Å; I202-N207 WeakPolarHBondContact O-CA 3.38Å; I202-N207 PolarHBondContact O-N 3.36Å; N207-K275 WeakPolarHBondContact OD1-CE 3.32Å; N207-K275 PolarHBondContact OD1-NZ 3.11Å
208R92.9Very high90.9Very high128 Ų12843.4 Ų43.448%0.48321%0.213SC..  trans-143.5139.7172.3-54.3-171-179.2-167.91.4108.2I202 K205 G206 E262 F263 L264I202-R208 PolarHBondContact O-N 3.41Å; K205-R208 CarbonylContact C-O 3.59Å; K205-R208 WeakPolarHBondContact CB-O 3.32Å; G206-R208 VanDerWaalsContact C-N 3.27Å; G206-R208 PolarHBondContact O-N 3.31Å; R208-E262 WeakPolarHBondContact CD-OE2 3.48Å; R208-E262 IonicContact NH1-OE1 2.76Å; R208-E262 PolarHBondContact NH1-OE1 2.92Å; R208-F263 WeakPolarHBondContact CA-O 3.25Å; R208-L264 HydrophobicContact CG-CD2 3.76Å; R208-L264 HydrophobicContact CG-CG 4.02Å
209A95.4Very high90.6Very high1 Ų147.3 Ų47.31%0.00823%0.231CC..EExtended strand (participates in β ladder)trans-136.6137.9170.600000109.4I202 K205 E213 V214 E262 F263I202-A209 HydrophobicContact CB-CB 4.48Å; I202-A209 HydrophobicContact CG1-CB 3.91Å; K205-A209 HydrophobicContact CB-CB 4.2Å; K205-A209 HydrophobicContact CG-CB 4.26Å; A209-E213 HydrophobicContact CB-CB 4.44Å; A209-V214 HydrophobicContact CB-CG2 3.91Å; A209-E262 CarbonylContact O-C 3.26Å; A209-E262 WeakPolarHBondContact O-CA 3.4Å; A209-F263 PolarHBondContact N-O 2.93Å; A209-F263 PolarHBondContact O-N 3.32Å
210T94.4Very high90Very high53 Ų5349.6 Ų49.633%0.32526%0.255SS..EExtended strand (participates in β ladder)trans-64.2154.8172.959.70000110.4Q212 E213 V214T210-Q212 PolarHBondContact O-N 2.89Å; T210-E213 PolarHBondContact N-OE2 3.39Å; T210-E213 PolarHBondContact O-N 3.31Å; T210-E213 VanDerWaalsContact OG1-CD 3.27Å; T210-E213 WeakPolarHBondContact OG1-CG 3.45Å; T210-E213 PolarHBondContact OG1-N 2.8Å; T210-E213 PolarHBondContact OG1-OE2 2.88Å; T210-V214 PolarHBondContact O-N 3.32Å; T210-V214 VanDerWaalsContact O-N 3.16Å
211E92.9Very high89.4Confident59 Ų5950.2 Ų50.228%0.27626%0.258SS..Hα-helixtrans-54.8-40.4176.5-158.6-166.7148.500111.6E213 V214 W215 Y250 Y261 F263E211-E213 PolarHBondContact O-N 3.47Å; E211-V214 PolarHBondContact O-N 3.38Å; E211-W215 PolarHBondContact O-N 2.67Å; E211-W215 PolarHBondContact OE1-NE1 2.78Å; E211-Y250 HydrophobicContact CB-CE2 4.49Å; E211-Y250 HydrophobicContact CG-CE2 4.1Å; E211-Y250 PolarHBondContact OE2-OH 2.88Å; E211-Y261 PolarHBondContact N-O 3.34Å; E211-F263 HydrophobicContact CB-CE2 4.16Å; E211-F263 HydrophobicContact CG-CE2 3.67Å; E211-F263 HydrophobicContact CG-CZ 4.21Å
212Q91.2Very high88.7Confident134 Ų13450.6 Ų50.663%0.62626%0.264SS*.Hα-helixtrans-59.4-43.6176.8-173.1-178.811.400112.5T210 W215 Q216T210-Q212 PolarHBondContact O-N 2.89Å; Q212-W215 PolarHBondContact O-N 3.09Å; Q212-Q216 HydrophobicContact CG-CG 4.49Å; Q212-Q216 WeakPolarHBondContact O-CB 3.5Å; Q212-Q216 VanDerWaalsContact O-CG 3.23Å; Q212-Q216 WeakPolarHBondContact O-CG 3.26Å; Q212-Q216 PolarHBondContact O-N 2.98Å
213E91.6Very high88.2Confident48 Ų4850.7 Ų50.722%0.22426%0.264CS..Hα-helixtrans-66.5-39179.5-73.7168129.800112K205 A209 T210 E211 Q216 F217K205-E213 WeakPolarHBondContact CD-OE1 3.18Å; K205-E213 WeakPolarHBondContact CE-OE1 3.31Å; K205-E213 IonicContact NZ-OE1 3.27Å; K205-E213 PolarHBondContact NZ-OE1 2.86Å; A209-E213 HydrophobicContact CB-CB 4.44Å; T210-E213 PolarHBondContact N-OE2 3.39Å; T210-E213 PolarHBondContact O-N 3.31Å; T210-E213 VanDerWaalsContact OG1-CD 3.27Å; T210-E213 WeakPolarHBondContact OG1-CG 3.45Å; T210-E213 PolarHBondContact OG1-N 2.8Å; T210-E213 PolarHBondContact OG1-OE2 2.88Å; E211-E213 PolarHBondContact O-N 3.47Å; E213-Q216 PolarHBondContact O-N 2.91Å; E213-F217 PolarHBondContact O-N 3.07Å
214V91.8Very high87.7Confident0 Ų053.5 Ų53.50%028%0.276CS..Hα-helixtrans-65.2-46.3175176.40000110.2V198 A209 T210 E211 Q216 F217 L218 I239 F263V198-V214 HydrophobicContact CG1-CG1 4.12Å; A209-V214 HydrophobicContact CB-CG2 3.91Å; T210-V214 PolarHBondContact O-N 3.32Å; T210-V214 VanDerWaalsContact O-N 3.16Å; E211-V214 PolarHBondContact O-N 3.38Å; V214-Q216 PolarHBondContact O-N 3.43Å; V214-F217 WeakPolarHBondContact O-CB 3.39Å; V214-F217 PolarHBondContact O-N 3.31Å; V214-L218 HydrophobicContact CG1-CD1 4.21Å; V214-L218 HydrophobicContact CG1-CG 4.45Å; V214-L218 WeakPolarHBondContact O-CG 3.42Å; V214-L218 PolarHBondContact O-N 3.23Å; V214-I239 HydrophobicContact CG1-CD1 4.44Å; V214-F263 HydrophobicContact CB-CD2 4.03Å; V214-F263 HydrophobicContact CB-CE2 4.15Å; V214-F263 HydrophobicContact CG1-CD2 4.41Å; V214-F263 HydrophobicContact CG1-CE2 4.33Å; V214-F263 HydrophobicContact CG2-CB 4.46Å; V214-F263 HydrophobicContact CG2-CD2 3.6Å; V214-F263 HydrophobicContact CG2-CE2 4.24Å; V214-F263 HydrophobicContact CG2-CG 4.37Å
215W91.1Very high87.4Confident41 Ų4151.7 Ų51.716%0.15527%0.273CS..Hα-helixtrans-64-37.4176.5-78.4120.6000113.3E211 Q212 F217 L218 H219 A225 P235 E236E211-W215 PolarHBondContact O-N 2.67Å; E211-W215 PolarHBondContact OE1-NE1 2.78Å; Q212-W215 PolarHBondContact O-N 3.09Å; W215-F217 VanDerWaalsContact C-N 3.33Å; W215-F217 PolarHBondContact O-N 2.9Å; W215-L218 HydrophobicContact CD2-CD1 4.33Å; W215-L218 HydrophobicContact CE3-CB 4.29Å; W215-L218 HydrophobicContact CE3-CD1 3.7Å; W215-L218 HydrophobicContact CZ3-CD1 3.81Å; W215-L218 PolarHBondContact O-N 3.29Å; W215-H219 WeakPolarHBondContact O-CB 3.23Å; W215-H219 PolarHBondContact O-N 3.21Å; W215-A225 HydrophobicContact CE3-CB 4.43Å; W215-A225 HydrophobicContact CH2-CB 4.03Å; W215-A225 HydrophobicContact CZ3-CB 3.91Å; W215-P235 HydrophobicContact CH2-CB 4.34Å; W215-P235 HydrophobicContact CZ3-CB 4.19Å; W215-E236 HydrophobicContact CH2-CG 3.8Å; W215-E236 HydrophobicContact CZ2-CG 4.09Å
216Q89.6Confident86.9Confident100 Ų10049.4 Ų49.447%0.46728%0.282SS..Hα-helixtrans-60.8-43.1173.6-79.9175.6-600111.5Q212 E213 V214 G220Q212-Q216 HydrophobicContact CG-CG 4.49Å; Q212-Q216 WeakPolarHBondContact O-CB 3.5Å; Q212-Q216 VanDerWaalsContact O-CG 3.23Å; Q212-Q216 WeakPolarHBondContact O-CG 3.26Å; Q212-Q216 PolarHBondContact O-N 2.98Å; E213-Q216 PolarHBondContact O-N 2.91Å; V214-Q216 PolarHBondContact O-N 3.43Å; Q216-G220 PolarHBondContact O-N 2.91Å
217F88.8Confident86.5Confident43 Ų4353.7 Ų53.719%0.18929%0.289CS..Hα-helixtrans-61.7-49.1173.7166.6-100.9000111.5L194 V198 V201 E213 V214 W215 H219 G220 V221L194-F217 HydrophobicContact CD1-CE1 4.43Å; V198-F217 HydrophobicContact CG2-CE1 4.4Å; V201-F217 HydrophobicContact CG1-CB 4.42Å; V201-F217 HydrophobicContact CG2-CB 4Å; V201-F217 HydrophobicContact CG2-CD1 3.83Å; V201-F217 HydrophobicContact CG2-CD2 3.53Å; V201-F217 HydrophobicContact CG2-CE1 4.21Å; V201-F217 HydrophobicContact CG2-CE2 3.94Å; V201-F217 HydrophobicContact CG2-CG 3.48Å; V201-F217 VanDerWaalsContact CG2-CG 3.48Å; V201-F217 HydrophobicContact CG2-CZ 4.28Å; E213-F217 PolarHBondContact O-N 3.07Å; V214-F217 WeakPolarHBondContact O-CB 3.39Å; V214-F217 PolarHBondContact O-N 3.31Å; W215-F217 VanDerWaalsContact C-N 3.33Å; W215-F217 PolarHBondContact O-N 2.9Å; F217-H219 VanDerWaalsContact C-N 3.33Å; F217-H219 PolarHBondContact O-N 3.16Å; F217-G220 WeakPolarHBondContact O-CA 3.36Å; F217-G220 PolarHBondContact O-N 3.29Å; F217-V221 HydrophobicContact CD2-CG1 4.33Å; F217-V221 HydrophobicContact CE1-CG1 4.44Å; F217-V221 HydrophobicContact CE1-CG2 4.18Å; F217-V221 HydrophobicContact CE2-CG1 3.66Å; F217-V221 HydrophobicContact CZ-CG1 3.7Å; F217-V221 HydrophobicContact CZ-CG2 4.22Å; F217-V221 PolarHBondContact O-N 2.94Å
218L87.4Confident85.8Confident0 Ų059.7 Ų59.70%031%0.313CS..Hα-helixtrans-57.2-46179.2-69.9177.5000111.3L194 V198 V214 W215 G220 V221 G222 V223 I239L194-L218 HydrophobicContact CD1-CD2 3.73Å; L194-L218 HydrophobicContact CD2-CD2 4.33Å; L194-L218 HydrophobicContact CG-CD2 4.32Å; V198-L218 HydrophobicContact CG2-CD2 4.21Å; V214-L218 HydrophobicContact CG1-CD1 4.21Å; V214-L218 HydrophobicContact CG1-CG 4.45Å; V214-L218 WeakPolarHBondContact O-CG 3.42Å; V214-L218 PolarHBondContact O-N 3.23Å; W215-L218 HydrophobicContact CD2-CD1 4.33Å; W215-L218 HydrophobicContact CE3-CB 4.29Å; W215-L218 HydrophobicContact CE3-CD1 3.7Å; W215-L218 HydrophobicContact CZ3-CD1 3.81Å; W215-L218 PolarHBondContact O-N 3.29Å; L218-G220 VanDerWaalsContact C-N 3.34Å; L218-G220 PolarHBondContact O-N 3.22Å; L218-V221 CarbonylContact O-C 3.58Å; L218-V221 VanDerWaalsContact O-CG2 3.25Å; L218-V221 WeakPolarHBondContact O-CG2 3.47Å; L218-V221 PolarHBondContact O-N 2.88Å; L218-V221 VanDerWaalsContact O-N 3.16Å; L218-G222 PolarHBondContact O-N 2.98Å; L218-G222 VanDerWaalsContact O-N 3.1Å; L218-V223 CarbonylContact C-O 3.58Å; L218-V223 HydrophobicContact CB-CB 4.13Å; L218-V223 HydrophobicContact CB-CG1 4.35Å; L218-V223 HydrophobicContact CD2-CB 4.29Å; L218-V223 HydrophobicContact CD2-CG1 4.24Å; L218-V223 PolarHBondContact O-N 3.17Å; L218-V223 VanDerWaalsContact O-O 3.07Å; L218-I239 HydrophobicContact CD1-CD1 4.21Å; L218-I239 HydrophobicContact CD1-CG1 4.4Å
219H84.8Confident84.7Confident82 Ų8255.1 Ų55.138%0.3830%0.297SS..Hα-helixtrans-58.2-44.7172.9-80.6171.1000112.3W215 F217 V221 G222 V223 Y224W215-H219 WeakPolarHBondContact O-CB 3.23Å; W215-H219 PolarHBondContact O-N 3.21Å; F217-H219 VanDerWaalsContact C-N 3.33Å; F217-H219 PolarHBondContact O-N 3.16Å; H219-V221 PolarHBondContact O-N 3.21Å; H219-G222 PolarHBondContact O-N 2.76Å; H219-V223 PolarHBondContact CD2-O 3.17Å; H219-V223 PolarHBondContact N-O 3.06Å; H219-Y224 HydrophobicContact CB-CE1 4.34Å; H219-Y224 AromaticContact CD2-CD1 3.14Å; H219-Y224 WeakPolarHBondContact CD2-CD1 3.44Å; H219-Y224 AromaticContact CD2-CE1 3.75Å; H219-Y224 AromaticContact CD2-CG 3.86Å; H219-Y224 AromaticContact CG-CD1 3.97Å; H219-Y224 AromaticContact NE2-CD1 3.52Å
220G79.4Confident83.2Confident49 Ų4959.1 Ų59.151%0.50532%0.317SS..Hα-helixtrans-59.7-33177.400000113.4Q216 F217 L218 G222Q216-G220 PolarHBondContact O-N 2.91Å; F217-G220 WeakPolarHBondContact O-CA 3.36Å; F217-G220 PolarHBondContact O-N 3.29Å; L218-G220 VanDerWaalsContact C-N 3.34Å; L218-G220 PolarHBondContact O-N 3.22Å; G220-G222 VanDerWaalsContact C-N 3.35Å
221V76.8Confident81.8Confident18 Ų1856.8 Ų56.811%0.10930%0.303CS..THydrogen-bonded Turntrans-92.99.8175.1-58.50000113.6R150 L153 V154 L194 F217 L218 H219 V223R150-V221 VanDerWaalsContact CZ-O 3.22Å; R150-V221 PolarHBondContact NE-O 3.27Å; R150-V221 PolarHBondContact NH2-O 3.45Å; L153-V221 HydrophobicContact CD2-CG1 4.16Å; V154-V221 HydrophobicContact CG2-CB 3.81Å; V154-V221 HydrophobicContact CG2-CG1 4.27Å; V154-V221 HydrophobicContact CG2-CG2 4.22Å; L194-V221 HydrophobicContact CD1-CG2 4.47Å; F217-V221 HydrophobicContact CD2-CG1 4.33Å; F217-V221 HydrophobicContact CE1-CG1 4.44Å; F217-V221 HydrophobicContact CE1-CG2 4.18Å; F217-V221 HydrophobicContact CE2-CG1 3.66Å; F217-V221 HydrophobicContact CZ-CG1 3.7Å; F217-V221 HydrophobicContact CZ-CG2 4.22Å; F217-V221 PolarHBondContact O-N 2.94Å; L218-V221 CarbonylContact O-C 3.58Å; L218-V221 VanDerWaalsContact O-CG2 3.25Å; L218-V221 WeakPolarHBondContact O-CG2 3.47Å; L218-V221 PolarHBondContact O-N 2.88Å; L218-V221 VanDerWaalsContact O-N 3.16Å; H219-V221 PolarHBondContact O-N 3.21Å; V221-V223 HydrophobicContact CG2-CG2 4.16Å
222G76.5Confident80.4Confident18 Ų1854.4 Ų54.419%0.18629%0.292CS..THydrogen-bonded Turntrans78.824.2173.700000115.3L218 H219 G220 Y224L218-G222 PolarHBondContact O-N 2.98Å; L218-G222 VanDerWaalsContact O-N 3.1Å; H219-G222 PolarHBondContact O-N 2.76Å; G220-G222 VanDerWaalsContact C-N 3.35Å; G222-Y224 WeakPolarHBondContact O-CD2 3.3Å; G222-Y224 WeakPolarHBondContact O-CE2 3.46Å
223V82.4Confident79.6Confident1 Ų149 Ų491%0.00627%0.272CS..  trans-106.2117.7174.3177.90000107.9L194 L218 H219 V221 F232 P235L194-V223 HydrophobicContact CD2-CG2 4.43Å; L218-V223 CarbonylContact C-O 3.58Å; L218-V223 HydrophobicContact CB-CB 4.13Å; L218-V223 HydrophobicContact CB-CG1 4.35Å; L218-V223 HydrophobicContact CD2-CB 4.29Å; L218-V223 HydrophobicContact CD2-CG1 4.24Å; L218-V223 PolarHBondContact O-N 3.17Å; L218-V223 VanDerWaalsContact O-O 3.07Å; H219-V223 PolarHBondContact CD2-O 3.17Å; H219-V223 PolarHBondContact N-O 3.06Å; V221-V223 HydrophobicContact CG2-CG2 4.16Å; V223-F232 HydrophobicContact CG2-CD2 4.41Å; V223-P235 HydrophobicContact CG1-CB 3.52Å; V223-P235 HydrophobicContact CG1-CG 3.46Å; V223-P235 VanDerWaalsContact CG1-CG 3.46Å
224Y82Confident79.2Confident61 Ų6150.8 Ų50.824%0.23928%0.28CS..  trans-123.7135.6-170.2-55.9-91.6000111.9H219 G222 K227 P235H219-Y224 HydrophobicContact CB-CE1 4.34Å; H219-Y224 AromaticContact CD2-CD1 3.14Å; H219-Y224 WeakPolarHBondContact CD2-CD1 3.44Å; H219-Y224 AromaticContact CD2-CE1 3.75Å; H219-Y224 AromaticContact CD2-CG 3.86Å; H219-Y224 AromaticContact CG-CD1 3.97Å; H219-Y224 AromaticContact NE2-CD1 3.52Å; G222-Y224 WeakPolarHBondContact O-CD2 3.3Å; G222-Y224 WeakPolarHBondContact O-CE2 3.46Å; Y224-K227 HydrophobicContact CD2-CD 4.47Å; Y224-K227 HydrophobicContact CG-CD 4.41Å; Y224-K227 PolarHBondContact O-N 2.7Å; Y224-P235 VanDerWaalsContact O-CG 3.3Å; Y224-P235 WeakPolarHBondContact O-CG 3.36Å
225A80.9Confident78.8Confident43 Ų4350.9 Ų50.936%0.35528%0.28SS..THydrogen-bonded Turntrans-54.2141.9170.300000111.1W215 K227W215-A225 HydrophobicContact CE3-CB 4.43Å; W215-A225 HydrophobicContact CH2-CB 4.03Å; W215-A225 HydrophobicContact CZ3-CB 3.91Å; A225-K227 PolarHBondContact O-N 2.7Å; A225-K227 VanDerWaalsContact O-N 3.11Å
226G78.1Confident78.5Confident67 Ų6752.9 Ų52.969%0.69129%0.292SS*.THydrogen-bonded Turntrans66.42.3-177.400000116.8
227K77.7Confident78.3Confident135 Ų13552.7 Ų52.759%0.58729%0.291SS*.SBendtrans-115.7116.1174.7-65.5-173.7-178.11750110.7Y224 A225 H229 P235Y224-K227 HydrophobicContact CD2-CD 4.47Å; Y224-K227 HydrophobicContact CG-CD 4.41Å; Y224-K227 PolarHBondContact O-N 2.7Å; A225-K227 PolarHBondContact O-N 2.7Å; A225-K227 VanDerWaalsContact O-N 3.11Å; K227-H229 PolarHBondContact O-N 2.94Å; K227-H229 VanDerWaalsContact O-N 3.15Å; K227-P235 VanDerWaalsContact O-CD 3.26Å; K227-P235 WeakPolarHBondContact O-CD 3.06Å
228K76.1Confident78.1Confident173 Ų17350.8 Ų50.875%0.75228%0.282SS*.  trans-60118.9177.3-165.8169.8-173.2165.60110.8
229H70.3Confident78.1Confident32 Ų3251.6 Ų51.615%0.14829%0.287CS..BIsolated β-bridgetrans-87.9136.8174.5-166.5-81.6000109.7F155 K227 I231 F232 G233F155-H229 AromaticContact CE1-CE1 3.49Å; F155-H229 VanDerWaalsContact CE1-CE1 3.49Å; F155-H229 WeakPolarHBondContact CE1-CE1 3.35Å; F155-H229 AromaticContact CZ-CE1 3.58Å; F155-H229 AromaticContact CZ-NE2 4Å; K227-H229 PolarHBondContact O-N 2.94Å; K227-H229 VanDerWaalsContact O-N 3.15Å; H229-I231 PolarHBondContact ND1-N 2.92Å; H229-I231 PolarHBondContact O-N 3.37Å; H229-F232 HydrophobicContact CB-CB 4.31Å; H229-F232 HydrophobicContact CB-CD2 4.37Å; H229-F232 AromaticContact CE1-CD2 3.72Å; H229-F232 AromaticContact CE1-CE2 3.76Å; H229-F232 AromaticContact CG-CD2 3.73Å; H229-F232 AromaticContact ND1-CD2 3.24Å; H229-F232 WeakPolarHBondContact ND1-CD2 3.39Å; H229-F232 AromaticContact ND1-CE2 3.75Å; H229-F232 PolarHBondContact O-N 3.15Å; H229-G233 PolarHBondContact N-O 2.73Å; H229-G233 PolarHBondContact O-N 2.97Å
230L64.1Low78.2Confident84 Ų8455 Ų5544%0.4430%0.296SS..THydrogen-bonded Turntrans-54-27.9-175.4-166.272.6000113.5
231I63.6Low78.6Confident4 Ų455.5 Ų55.52%0.02129%0.287CS..THydrogen-bonded Turntrans-111.2-38.1-172.3-59.4-176.5000113.2L114 F155 S185 L189 H229L114-I231 HydrophobicContact CD1-CD1 3.28Å; L114-I231 HydrophobicContact CD1-CG1 4.39Å; L114-I231 HydrophobicContact CD2-CD1 3.54Å; L114-I231 HydrophobicContact CG-CD1 3.92Å; F155-I231 HydrophobicContact CD1-CB 4.22Å; F155-I231 HydrophobicContact CD1-CD1 3.19Å; F155-I231 HydrophobicContact CD1-CG1 4.2Å; F155-I231 HydrophobicContact CD1-CG2 4.1Å; F155-I231 HydrophobicContact CE1-CB 3.95Å; F155-I231 HydrophobicContact CE1-CD1 3.17Å; F155-I231 HydrophobicContact CE1-CG1 3.93Å; F155-I231 HydrophobicContact CE1-CG2 4.31Å; F155-I231 HydrophobicContact CG-CD1 4.07Å; F155-I231 HydrophobicContact CZ-CD1 4.01Å; S185-I231 WeakPolarHBondContact CB-O 3.38Å; L189-I231 HydrophobicContact CB-CG2 3.85Å; L189-I231 HydrophobicContact CD1-CB 4.22Å; L189-I231 HydrophobicContact CD1-CD1 3.46Å; L189-I231 VanDerWaalsContact CD1-CD1 3.46Å; L189-I231 HydrophobicContact CD1-CG1 3.49Å; L189-I231 VanDerWaalsContact CD1-CG1 3.49Å; L189-I231 HydrophobicContact CD1-CG2 3.89Å; H229-I231 PolarHBondContact ND1-N 2.92Å; H229-I231 PolarHBondContact O-N 3.37Å
232F63.6Low79.1Confident10 Ų1054.7 Ų54.74%0.04428%0.282CS..THydrogen-bonded Turntrans-100.31.7-172.5-53-65.3000112.6V154 F155 R191 L194 V223 H229 F238V154-F232 HydrophobicContact CG1-CE2 3.46Å; V154-F232 VanDerWaalsContact CG1-CE2 3.46Å; V154-F232 HydrophobicContact CG1-CZ 3.68Å; V154-F232 VanDerWaalsContact O-CZ 3.31Å; V154-F232 WeakPolarHBondContact O-CZ 3.35Å; F155-F232 AromaticContact CD1-CE2 3.98Å; F155-F232 HydrophobicContact CD1-CE2 3.98Å; F155-F232 AromaticContact CD1-CZ 3.68Å; F155-F232 HydrophobicContact CD1-CZ 3.68Å; F155-F232 AromaticContact CE1-CE2 3.47Å; F155-F232 HydrophobicContact CE1-CE2 3.47Å; F155-F232 VanDerWaalsContact CE1-CE2 3.47Å; F155-F232 AromaticContact CE1-CZ 3.69Å; F155-F232 HydrophobicContact CE1-CZ 3.69Å; F155-F232 HydrophobicContact CZ-CE2 4.34Å; R191-F232 HydrophobicContact CB-CD1 4.46Å; R191-F232 HydrophobicContact CG-CD1 4.22Å; L194-F232 HydrophobicContact CB-CD1 4.32Å; L194-F232 HydrophobicContact CB-CE1 3.7Å; L194-F232 HydrophobicContact CB-CE2 4.37Å; L194-F232 HydrophobicContact CB-CZ 3.76Å; L194-F232 HydrophobicContact CD2-CD1 3.88Å; L194-F232 HydrophobicContact CD2-CD2 3.71Å; L194-F232 HydrophobicContact CD2-CE1 4Å; L194-F232 HydrophobicContact CD2-CE2 3.85Å; L194-F232 HydrophobicContact CD2-CG 3.76Å; L194-F232 HydrophobicContact CD2-CZ 4.01Å; L194-F232 HydrophobicContact CG-CZ 4.46Å; V223-F232 HydrophobicContact CG2-CD2 4.41Å; H229-F232 HydrophobicContact CB-CB 4.31Å; H229-F232 HydrophobicContact CB-CD2 4.37Å; H229-F232 AromaticContact CE1-CD2 3.72Å; H229-F232 AromaticContact CE1-CE2 3.76Å; H229-F232 AromaticContact CG-CD2 3.73Å; H229-F232 AromaticContact ND1-CD2 3.24Å; H229-F232 WeakPolarHBondContact ND1-CD2 3.39Å; H229-F232 AromaticContact ND1-CE2 3.75Å; H229-F232 PolarHBondContact O-N 3.15Å; F232-F238 HydrophobicContact CB-CB 4.45Å; F232-F238 HydrophobicContact CD1-CD2 4.37Å
233G75.7Confident79.8Confident20 Ų2055.8 Ų55.821%0.20629%0.285CS..BIsolated β-bridgetrans65.9-138.8-173.100000110.1H229 P235H229-G233 PolarHBondContact N-O 2.73Å; H229-G233 PolarHBondContact O-N 2.97Å; G233-P235 WeakPolarHBondContact O-CD 3.27Å
234E82.7Confident80.1Confident86 Ų8663 Ų6340%0.40232%0.319SS..SBendtrans-77.2125.5171.8-62.6-164171.900110.1E236 E237 F238E234-E236 PolarHBondContact O-N 3.3Å; E234-E236 VanDerWaalsContact O-N 3.11Å; E234-E237 HydrophobicContact CB-CB 4.26Å; E234-E237 HydrophobicContact CB-CG 3.93Å; E234-E237 WeakPolarHBondContact O-CA 3.42Å; E234-E237 WeakPolarHBondContact O-CB 3.4Å; E234-E237 PolarHBondContact O-N 3.41Å; E234-F238 PolarHBondContact O-N 3.42Å
235P82.6Confident80.4Confident1 Ų161.5 Ų61.51%0.00631%0.314CS..Hα-helixtrans-58.5-27.7-177.3-33.643.1000114.9W215 V223 Y224 K227 G233 F238 I239W215-P235 HydrophobicContact CH2-CB 4.34Å; W215-P235 HydrophobicContact CZ3-CB 4.19Å; V223-P235 HydrophobicContact CG1-CB 3.52Å; V223-P235 HydrophobicContact CG1-CG 3.46Å; V223-P235 VanDerWaalsContact CG1-CG 3.46Å; Y224-P235 VanDerWaalsContact O-CG 3.3Å; Y224-P235 WeakPolarHBondContact O-CG 3.36Å; K227-P235 VanDerWaalsContact O-CD 3.26Å; K227-P235 WeakPolarHBondContact O-CD 3.06Å; G233-P235 WeakPolarHBondContact O-CD 3.27Å; P235-F238 WeakPolarHBondContact O-CB 3.19Å; P235-F238 PolarHBondContact O-N 2.95Å; P235-I239 WeakPolarHBondContact O-CG1 3.23Å; P235-I239 PolarHBondContact O-N 3.43Å; P235-I239 VanDerWaalsContact O-N 3.09Å
236E85.8Confident80.8Confident84 Ų8463.8 Ų63.839%0.39332%0.32SS..Hα-helixtrans-70.1-38.4174-67.7175.8-15700112.3W215 E234 F238 I239 R240W215-E236 HydrophobicContact CH2-CG 3.8Å; W215-E236 HydrophobicContact CZ2-CG 4.09Å; E234-E236 PolarHBondContact O-N 3.3Å; E234-E236 VanDerWaalsContact O-N 3.11Å; E236-F238 VanDerWaalsContact C-N 3.34Å; E236-I239 PolarHBondContact O-N 2.81Å; E236-R240 WeakPolarHBondContact O-CB 3.44Å; E236-R240 PolarHBondContact O-N 2.89Å
237E84.4Confident81.5Confident96 Ų9660.7 Ų60.745%0.44929%0.288SS..Hα-helixtrans-63.7-42171.1-67179.315300110.5E234 I239 R240 D241E234-E237 HydrophobicContact CB-CB 4.26Å; E234-E237 HydrophobicContact CB-CG 3.93Å; E234-E237 WeakPolarHBondContact O-CA 3.42Å; E234-E237 WeakPolarHBondContact O-CB 3.4Å; E234-E237 PolarHBondContact O-N 3.41Å; E237-I239 VanDerWaalsContact C-N 3.35Å; E237-I239 PolarHBondContact O-N 3.4Å; E237-R240 WeakPolarHBondContact O-CB 3.46Å; E237-R240 PolarHBondContact O-N 2.73Å; E237-R240 VanDerWaalsContact O-N 3.16Å; E237-D241 WeakPolarHBondContact O-CB 3.29Å; E237-D241 VanDerWaalsContact O-CG 3.32Å; E237-D241 PolarHBondContact O-N 3.18Å
238F84.3Confident82.3Confident3 Ų354.4 Ų54.41%0.01326%0.261CS..Hα-helixtrans-57.4-46175.3170-96.7000112.3R191 L194 L195 F232 E234 P235 E236 R240 D241 V242R191-F238 HydrophobicContact CB-CE2 4.26Å; L194-F238 HydrophobicContact CB-CE1 4.44Å; L194-F238 HydrophobicContact CB-CE2 4.49Å; L194-F238 HydrophobicContact CB-CZ 3.96Å; L194-F238 HydrophobicContact CD2-CD1 3.86Å; L194-F238 HydrophobicContact CD2-CE1 3.59Å; L194-F238 HydrophobicContact CD2-CE2 4.32Å; L194-F238 HydrophobicContact CD2-CG 4.34Å; L194-F238 HydrophobicContact CD2-CZ 3.85Å; L194-F238 HydrophobicContact CG-CE1 3.75Å; L194-F238 HydrophobicContact CG-CZ 3.8Å; L195-F238 HydrophobicContact CB-CZ 4.32Å; F232-F238 HydrophobicContact CB-CB 4.45Å; F232-F238 HydrophobicContact CD1-CD2 4.37Å; E234-F238 PolarHBondContact O-N 3.42Å; P235-F238 WeakPolarHBondContact O-CB 3.19Å; P235-F238 PolarHBondContact O-N 2.95Å; E236-F238 VanDerWaalsContact C-N 3.34Å; F238-R240 VanDerWaalsContact C-N 3.34Å; F238-D241 PolarHBondContact O-N 3.23Å; F238-V242 HydrophobicContact CD2-CG1 4.33Å; F238-V242 HydrophobicContact CE1-CG1 4.24Å; F238-V242 HydrophobicContact CE2-CG1 3.79Å; F238-V242 HydrophobicContact CZ-CG1 3.74Å; F238-V242 WeakPolarHBondContact O-CG2 3.19Å; F238-V242 PolarHBondContact O-N 2.83Å
239I88Confident83.2Confident17 Ų1750.3 Ų50.39%0.08724%0.244CC..Hα-helixtrans-63.2-41.9177-68.9-64.4000111.1V214 L218 P235 E236 E237 V242 V243 F263V214-I239 HydrophobicContact CG1-CD1 4.44Å; L218-I239 HydrophobicContact CD1-CD1 4.21Å; L218-I239 HydrophobicContact CD1-CG1 4.4Å; P235-I239 WeakPolarHBondContact O-CG1 3.23Å; P235-I239 PolarHBondContact O-N 3.43Å; P235-I239 VanDerWaalsContact O-N 3.09Å; E236-I239 PolarHBondContact O-N 2.81Å; E237-I239 VanDerWaalsContact C-N 3.35Å; E237-I239 PolarHBondContact O-N 3.4Å; I239-V242 WeakPolarHBondContact O-CG2 3.27Å; I239-V242 PolarHBondContact O-N 2.71Å; I239-V243 VanDerWaalsContact O-CG2 3.3Å; I239-V243 WeakPolarHBondContact O-CG2 3.24Å; I239-V243 PolarHBondContact O-N 3.18Å; I239-V243 VanDerWaalsContact O-N 3.14Å; I239-F263 HydrophobicContact CG2-CE1 3.8Å; I239-F263 HydrophobicContact CG2-CZ 3.64Å
240R88.1Confident84.4Confident153 Ų15353.2 Ų53.258%0.57726%0.255SS*.Hα-helixtrans-60.7-45.3175.9-164.8-169-41.8-75-6.2111.8E236 E237 F238 V243 Q244E236-R240 WeakPolarHBondContact O-CB 3.44Å; E236-R240 PolarHBondContact O-N 2.89Å; E237-R240 WeakPolarHBondContact O-CB 3.46Å; E237-R240 PolarHBondContact O-N 2.73Å; E237-R240 VanDerWaalsContact O-N 3.16Å; F238-R240 VanDerWaalsContact C-N 3.34Å; R240-V243 PolarHBondContact O-N 2.69Å; R240-Q244 WeakPolarHBondContact O-CB 3.01Å; R240-Q244 PolarHBondContact O-N 3.44Å
241D86.3Confident85.8Confident59 Ų5953.3 Ų53.332%0.31625%0.249SC..Hα-helixtrans-60.6-47.8178.9-76.6-2.2000111.2R191 E237 F238 V243 Q244 E245R191-D241 IonicContact NH1-OD2 2.7Å; R191-D241 PolarHBondContact NH1-OD2 2.85Å; E237-D241 WeakPolarHBondContact O-CB 3.29Å; E237-D241 VanDerWaalsContact O-CG 3.32Å; E237-D241 PolarHBondContact O-N 3.18Å; F238-D241 PolarHBondContact O-N 3.23Å; D241-V243 VanDerWaalsContact C-N 3.28Å; D241-V243 PolarHBondContact O-N 2.8Å; D241-Q244 PolarHBondContact O-N 2.72Å; D241-E245 VanDerWaalsContact O-CB 3.31Å; D241-E245 WeakPolarHBondContact O-CB 3.45Å; D241-E245 WeakPolarHBondContact O-CG 3.17Å; D241-E245 PolarHBondContact O-N 3.32Å
242V88.4Confident87.3Confident1 Ų157.7 Ų57.71%0.00627%0.27CS..Hα-helixtrans-68.9-27.4-178.8-61.90000112.8L195 F238 I239 Y247 L248L195-V242 HydrophobicContact CD1-CB 4.25Å; L195-V242 HydrophobicContact CD1-CG1 4.02Å; F238-V242 HydrophobicContact CD2-CG1 4.33Å; F238-V242 HydrophobicContact CE1-CG1 4.24Å; F238-V242 HydrophobicContact CE2-CG1 3.79Å; F238-V242 HydrophobicContact CZ-CG1 3.74Å; F238-V242 WeakPolarHBondContact O-CG2 3.19Å; F238-V242 PolarHBondContact O-N 2.83Å; I239-V242 WeakPolarHBondContact O-CG2 3.27Å; I239-V242 PolarHBondContact O-N 2.71Å; V242-Y247 WeakPolarHBondContact O-CB 3.41Å; V242-Y247 PolarHBondContact O-N 2.9Å; V242-L248 HydrophobicContact CB-CD1 4.5Å; V242-L248 HydrophobicContact CB-CG 4.48Å; V242-L248 HydrophobicContact CG2-CB 4.49Å; V242-L248 HydrophobicContact CG2-CD1 3.57Å; V242-L248 HydrophobicContact CG2-CG 4.02Å; V242-L248 PolarHBondContact O-N 3.07Å; V242-L248 VanDerWaalsContact O-N 3.15Å
243V91.6Very high88.6Confident42 Ų4259 Ų5926%0.25528%0.278SS..Hα-helixtrans-72.5-46.7170.8173.50000110.3I239 R240 D241 E245 N246 L248 F263I239-V243 VanDerWaalsContact O-CG2 3.3Å; I239-V243 WeakPolarHBondContact O-CG2 3.24Å; I239-V243 PolarHBondContact O-N 3.18Å; I239-V243 VanDerWaalsContact O-N 3.14Å; R240-V243 PolarHBondContact O-N 2.69Å; D241-V243 VanDerWaalsContact C-N 3.28Å; D241-V243 PolarHBondContact O-N 2.8Å; V243-E245 VanDerWaalsContact C-N 3.29Å; V243-E245 PolarHBondContact O-N 3.03Å; V243-N246 WeakPolarHBondContact O-CA 3.18Å; V243-N246 PolarHBondContact O-N 2.76Å; V243-L248 WeakPolarHBondContact CA-O 3.34Å; V243-L248 HydrophobicContact CG2-CB 3.97Å; V243-F263 HydrophobicContact CG2-CE1 4.13Å
244Q89.1Confident89.3Confident152 Ų15263.3 Ų63.371%0.7130%0.303SS*.Hα-helixtrans-62.5-36.2178.5-171.764.231.200112.4R240 D241 N246R240-Q244 WeakPolarHBondContact O-CB 3.01Å; R240-Q244 PolarHBondContact O-N 3.44Å; D241-Q244 PolarHBondContact O-N 2.72Å; Q244-N246 PolarHBondContact O-N 3.02Å; Q244-N246 PolarHBondContact O-ND2 3.13Å
245E87.1Confident89.5Confident29 Ų2963.3 Ų63.314%0.13633%0.325CS..THydrogen-bonded Turntrans-76.72.8174.2-73.5-159.5-160.300113.4S182 L183 D241 V243 Y247 R268S182-E245 PolarHBondContact OG-OE1 3.37Å; S182-E245 PolarHBondContact OG-OE2 3.2Å; L183-E245 VanDerWaalsContact CD2-CD 3.45Å; L183-E245 VanDerWaalsContact CD2-OE1 3.26Å; L183-E245 WeakPolarHBondContact CD2-OE1 3.45Å; L183-E245 WeakPolarHBondContact CD2-OE2 3.4Å; L183-E245 WeakPolarHBondContact CG-OE2 3.44Å; D241-E245 VanDerWaalsContact O-CB 3.31Å; D241-E245 WeakPolarHBondContact O-CB 3.45Å; D241-E245 WeakPolarHBondContact O-CG 3.17Å; D241-E245 PolarHBondContact O-N 3.32Å; V243-E245 VanDerWaalsContact C-N 3.29Å; V243-E245 PolarHBondContact O-N 3.03Å; E245-Y247 HydrophobicContact CB-CD2 3.79Å; E245-Y247 HydrophobicContact CB-CE2 4.14Å; E245-Y247 PolarHBondContact O-N 2.87Å; E245-Y247 WeakPolarHBondContact OE2-CE2 3.36Å; E245-R268 WeakPolarHBondContact O-CD 3.5Å; E245-R268 IonicContact OE2-CZ 2.69Å; E245-R268 IonicContact OE2-NH1 3.54Å; E245-R268 PolarHBondContact OE2-NH1 3.15Å
246N89.9Confident89.8Confident92 Ų9264.3 Ų64.349%0.49233%0.333SS..THydrogen-bonded Turntrans61.823.9178.8-52.5-75.2000114.6V243 Q244 G266 P267 R268V243-N246 WeakPolarHBondContact O-CA 3.18Å; V243-N246 PolarHBondContact O-N 2.76Å; Q244-N246 PolarHBondContact O-N 3.02Å; Q244-N246 PolarHBondContact O-ND2 3.13Å; N246-G266 CarbonylContact O-C 3.07Å; N246-G266 VanDerWaalsContact O-C 3.28Å; N246-G266 WeakPolarHBondContact O-CA 3.33Å; N246-P267 HydrophobicContact CB-CG 3.95Å; N246-P267 WeakPolarHBondContact O-CD 3.4Å; N246-R268 HydrophobicContact CB-CB 4.25Å; N246-R268 VanDerWaalsContact O-CB 3.26Å; N246-R268 WeakPolarHBondContact O-CB 3.41Å; N246-R268 PolarHBondContact O-N 2.92Å
247Y91.3Very high89.9Confident1 Ų167.9 Ų67.90%0.00435%0.354CS..SBendtrans-78.2-33.7168.4-77.7-77.3000111.9L183 L195 V242 E245 G266 R268 A269 E272L183-Y247 HydrophobicContact CD1-CD2 4.25Å; L183-Y247 HydrophobicContact CD1-CE2 3.53Å; L183-Y247 HydrophobicContact CG-CE2 4.33Å; L195-Y247 HydrophobicContact CD1-CD1 4.39Å; L195-Y247 HydrophobicContact CD1-CG 4.08Å; L195-Y247 HydrophobicContact CD2-CD1 3.66Å; L195-Y247 HydrophobicContact CD2-CD2 3.88Å; L195-Y247 HydrophobicContact CD2-CE1 3.76Å; L195-Y247 HydrophobicContact CD2-CE2 4Å; L195-Y247 HydrophobicContact CD2-CG 3.69Å; V242-Y247 WeakPolarHBondContact O-CB 3.41Å; V242-Y247 PolarHBondContact O-N 2.9Å; E245-Y247 HydrophobicContact CB-CD2 3.79Å; E245-Y247 HydrophobicContact CB-CE2 4.14Å; E245-Y247 PolarHBondContact O-N 2.87Å; E245-Y247 WeakPolarHBondContact OE2-CE2 3.36Å; Y247-G266 PolarHBondContact O-N 2.96Å; Y247-R268 HydrophobicContact CD1-CB 4.37Å; Y247-R268 HydrophobicContact CD1-CG 4.3Å; Y247-R268 HydrophobicContact CE1-CG 4.01Å; Y247-R268 HydrophobicContact CE2-CG 4.34Å; Y247-A269 HydrophobicContact CD1-CB 4.08Å; Y247-A269 VanDerWaalsContact O-CB 3.25Å; Y247-A269 WeakPolarHBondContact O-CB 3.17Å; Y247-E272 PolarHBondContact OH-OE1 3.25Å; Y247-E272 PolarHBondContact OH-OE2 3.11Å
248L94.7Very high90Very high3 Ų368.2 Ų68.22%0.01637%0.365CS..EExtended strand (participates in β ladder)trans-120.4143175-61.7-176000110.3V198 L199 I202 V242 V243 F263 L264V198-L248 HydrophobicContact CG1-CD1 3.79Å; V198-L248 HydrophobicContact CG1-CD2 4.47Å; L199-L248 HydrophobicContact CD2-CD2 3.59Å; I202-L248 HydrophobicContact CD1-CD2 3.44Å; I202-L248 VanDerWaalsContact CD1-CD2 3.44Å; V242-L248 HydrophobicContact CB-CD1 4.5Å; V242-L248 HydrophobicContact CB-CG 4.48Å; V242-L248 HydrophobicContact CG2-CB 4.49Å; V242-L248 HydrophobicContact CG2-CD1 3.57Å; V242-L248 HydrophobicContact CG2-CG 4.02Å; V242-L248 PolarHBondContact O-N 3.07Å; V242-L248 VanDerWaalsContact O-N 3.15Å; V243-L248 WeakPolarHBondContact CA-O 3.34Å; V243-L248 HydrophobicContact CG2-CB 3.97Å; L248-F263 HydrophobicContact CB-CD1 4.36Å; L248-F263 HydrophobicContact CD1-CD1 4.12Å; L248-L264 CarbonylContact C-O 3.39Å; L248-L264 VanDerWaalsContact CA-O 3.29Å; L248-L264 WeakPolarHBondContact CA-O 3.26Å
249E95.6Very high90.4Very high88 Ų8871.8 Ų71.841%0.41139%0.388SS..EExtended strand (participates in β ladder)trans-98.8129.8162.6-74.3172.7-156.300108.1F263 L264E249-F263 CarbonylContact O-C 3.59Å; E249-F263 VanDerWaalsContact O-CA 3.28Å; E249-F263 WeakPolarHBondContact O-CA 3.35Å; E249-L264 HydrophobicContact CB-CB 4.3Å; E249-L264 PolarHBondContact N-O 2.82Å; E249-L264 PolarHBondContact O-N 3.14Å
250Y95.1Very high90.5Very high93 Ų9373.4 Ų73.437%0.36540%0.401SS..EExtended strand (participates in β ladder)trans-112.5122.3173.9-179.4-110.8000108.9E211 Y261 F263E211-Y250 HydrophobicContact CB-CE2 4.49Å; E211-Y250 HydrophobicContact CG-CE2 4.1Å; E211-Y250 PolarHBondContact OE2-OH 2.88Å; Y250-Y261 HydrophobicContact CD1-CD1 4.31Å; Y250-Y261 AromaticContact CE1-CD1 3.55Å; Y250-Y261 HydrophobicContact CE1-CD1 3.55Å; Y250-Y261 HydrophobicContact CE1-CE1 4.09Å; Y250-Y261 HydrophobicContact CE1-CG 4Å; Y250-Y261 HydrophobicContact CE2-CD1 4.24Å; Y250-Y261 HydrophobicContact CE2-CG 4.01Å; Y250-Y261 AromaticContact CZ-CD1 3.53Å; Y250-Y261 AromaticContact CZ-CG 3.46Å; Y250-Y261 VanDerWaalsContact CZ-CG 3.46Å; Y250-Y261 VanDerWaalsContact OH-CB 3.3Å; Y250-Y261 WeakPolarHBondContact OH-CB 3.34Å; Y250-Y261 WeakPolarHBondContact OH-CD2 3.29Å; Y250-F263 AromaticContact CD2-CD1 3.72Å; Y250-F263 HydrophobicContact CD2-CD1 3.72Å; Y250-F263 HydrophobicContact CD2-CD2 4.44Å; Y250-F263 AromaticContact CD2-CE1 3.26Å; Y250-F263 HydrophobicContact CD2-CE1 3.26Å; Y250-F263 HydrophobicContact CD2-CE2 4.08Å; Y250-F263 HydrophobicContact CD2-CG 4.29Å; Y250-F263 AromaticContact CD2-CZ 3.46Å; Y250-F263 HydrophobicContact CD2-CZ 3.46Å; Y250-F263 VanDerWaalsContact CD2-CZ 3.46Å; Y250-F263 HydrophobicContact CE2-CE1 4.03Å; Y250-F263 HydrophobicContact CE2-CE2 4.16Å; Y250-F263 AromaticContact CE2-CZ 3.72Å; Y250-F263 HydrophobicContact CE2-CZ 3.72Å; Y250-F263 HydrophobicContact CG-CD1 4.38Å; Y250-F263 AromaticContact CG-CE1 3.92Å; Y250-F263 HydrophobicContact CG-CE1 3.92Å; Y250-F263 HydrophobicContact CG-CZ 4.43Å
251R94.3Very high90.8Very high86 Ų8670.3 Ų70.333%0.32539%0.39SS..EExtended strand (participates in β ladder)trans-145.4155.5-178.370.2179.8-173.3-160.7-2.8112.5Y261 E262 L264R251-Y261 WeakPolarHBondContact O-CA 3.4Å; R251-E262 HydrophobicContact CG-CG 3.97Å; R251-E262 IonicContact CZ-OE1 2.77Å; R251-E262 VanDerWaalsContact CZ-OE1 3.27Å; R251-E262 PolarHBondContact N-O 2.93Å; R251-E262 VanDerWaalsContact N-O 3.07Å; R251-E262 IonicContact NE-OE1 3.36Å; R251-E262 PolarHBondContact NE-OE1 3.46Å; R251-E262 IonicContact NH2-OE1 2.87Å; R251-E262 PolarHBondContact NH2-OE1 2.88Å; R251-E262 PolarHBondContact O-N 3.18Å; R251-L264 HydrophobicContact CG-CD1 3.99Å
252Q94.1Very high91.3Very high96 Ų9668.4 Ų68.445%0.44938%0.379SS..EExtended strand (participates in β ladder)trans-70.6138.2171.4-169-180-3.900110.1P254 S260 Y261Q252-P254 WeakPolarHBondContact O-CD 3.32Å; Q252-S260 CarbonylContact C-O 3.49Å; Q252-S260 WeakPolarHBondContact CA-O 3.28Å; Q252-S260 WeakPolarHBondContact CG-O 3.42Å; Q252-Y261 HydrophobicContact CB-CD1 4.09Å; Q252-Y261 HydrophobicContact CB-CE1 3.92Å; Q252-Y261 HydrophobicContact CG-CE1 4.38Å
253V92.3Very high91.6Very high37 Ų3768.4 Ų68.422%0.22438%0.379CS..PPolyproline II helixtrans-69.8121.3172.8179.50000108.3G255 S256 S260 E262V253-G255 PolarHBondContact O-N 3.28Å; V253-S256 WeakPolarHBondContact O-CB 3.41Å; V253-S256 PolarHBondContact O-N 3.46Å; V253-S256 PolarHBondContact O-OG 3.13Å; V253-S260 WeakPolarHBondContact CB-OG 3.45Å; V253-S260 PolarHBondContact N-O 3.01Å; V253-E262 HydrophobicContact CG2-CB 4.03Å; V253-E262 HydrophobicContact CG2-CG 3.89Å
254P90.1Very high91.9Very high111 Ų11167.4 Ų67.472%0.72137%0.372SS*.THydrogen-bonded Turntrans-58.1129.5-179.3-25.334.7000111.9Q252 S256Q252-P254 WeakPolarHBondContact O-CD 3.32Å; P254-S256 VanDerWaalsContact C-N 3.3Å; P254-S256 PolarHBondContact O-N 2.89Å
255G86.8Confident92.2Very high85 Ų8560.6 Ų60.688%0.87634%0.34SS*.THydrogen-bonded Turntrans73.715.9177.500000115.2V253V253-G255 PolarHBondContact O-N 3.28Å
256S89.1Confident92.5Very high23 Ų2359.2 Ų59.216%0.16133%0.334CS..  trans-73.2127.7173.651.90000112V253 P254 P258 S260V253-S256 WeakPolarHBondContact O-CB 3.41Å; V253-S256 PolarHBondContact O-N 3.46Å; V253-S256 PolarHBondContact O-OG 3.13Å; P254-S256 VanDerWaalsContact C-N 3.3Å; P254-S256 PolarHBondContact O-N 2.89Å; S256-P258 CarbonylContact C-O 3.55Å; S256-P258 CarbonylContact O-C 3.46Å; S256-S260 WeakPolarHBondContact CB-OG 3.29Å; S256-S260 PolarHBondContact OG-N 3.49Å
257D86.4Confident92.6Very high158 Ų15858.5 Ų58.585%0.84533%0.334SS*.SBendtrans-134.4110.3170.5-173.318.3000109.7
258P88.3Confident92.5Very high103 Ų10361.8 Ų61.867%0.66935%0.346SS*.SBendcis-67.8163-0.730.2-36000112.8S256 S260S256-P258 CarbonylContact C-O 3.55Å; S256-P258 CarbonylContact O-C 3.46Å; P258-S260 PolarHBondContact O-N 3.39Å
259P91.2Very high92.2Very high79 Ų7961.7 Ų61.751%0.51335%0.346SS..  trans-49.8123.9176.8-30.436.9000112.6
260S91.9Very high91.9Very high51 Ų5161.9 Ų61.936%0.35735%0.346SS..  trans-122.5153.6174.6680000110.9Q252 V253 S256 P258Q252-S260 CarbonylContact C-O 3.49Å; Q252-S260 WeakPolarHBondContact CA-O 3.28Å; Q252-S260 WeakPolarHBondContact CG-O 3.42Å; V253-S260 WeakPolarHBondContact CB-OG 3.45Å; V253-S260 PolarHBondContact N-O 3.01Å; S256-S260 WeakPolarHBondContact CB-OG 3.29Å; S256-S260 PolarHBondContact OG-N 3.49Å; P258-S260 PolarHBondContact O-N 3.39Å
261Y93.7Very high91.5Very high88 Ų8861.5 Ų61.535%0.34536%0.362SS..EExtended strand (participates in β ladder)trans-123.3148-175.3-62.8-95.9000111.6E211 Y250 R251 Q252E211-Y261 PolarHBondContact N-O 3.34Å; Y250-Y261 HydrophobicContact CD1-CD1 4.31Å; Y250-Y261 AromaticContact CE1-CD1 3.55Å; Y250-Y261 HydrophobicContact CE1-CD1 3.55Å; Y250-Y261 HydrophobicContact CE1-CE1 4.09Å; Y250-Y261 HydrophobicContact CE1-CG 4Å; Y250-Y261 HydrophobicContact CE2-CD1 4.24Å; Y250-Y261 HydrophobicContact CE2-CG 4.01Å; Y250-Y261 AromaticContact CZ-CD1 3.53Å; Y250-Y261 AromaticContact CZ-CG 3.46Å; Y250-Y261 VanDerWaalsContact CZ-CG 3.46Å; Y250-Y261 VanDerWaalsContact OH-CB 3.3Å; Y250-Y261 WeakPolarHBondContact OH-CB 3.34Å; Y250-Y261 WeakPolarHBondContact OH-CD2 3.29Å; R251-Y261 WeakPolarHBondContact O-CA 3.4Å; Q252-Y261 HydrophobicContact CB-CD1 4.09Å; Q252-Y261 HydrophobicContact CB-CE1 3.92Å; Q252-Y261 HydrophobicContact CG-CE1 4.38Å
262E95.6Very high91Very high18 Ų1859.9 Ų59.98%0.08436%0.358CS..EExtended strand (participates in β ladder)trans-130.6152.117862.9172.9-164.200111.8R208 A209 R251 V253 L264R208-E262 WeakPolarHBondContact CD-OE2 3.48Å; R208-E262 IonicContact NH1-OE1 2.76Å; R208-E262 PolarHBondContact NH1-OE1 2.92Å; A209-E262 CarbonylContact O-C 3.26Å; A209-E262 WeakPolarHBondContact O-CA 3.4Å; R251-E262 HydrophobicContact CG-CG 3.97Å; R251-E262 IonicContact CZ-OE1 2.77Å; R251-E262 VanDerWaalsContact CZ-OE1 3.27Å; R251-E262 PolarHBondContact N-O 2.93Å; R251-E262 VanDerWaalsContact N-O 3.07Å; R251-E262 IonicContact NE-OE1 3.36Å; R251-E262 PolarHBondContact NE-OE1 3.46Å; R251-E262 IonicContact NH2-OE1 2.87Å; R251-E262 PolarHBondContact NH2-OE1 2.88Å; R251-E262 PolarHBondContact O-N 3.18Å; V253-E262 HydrophobicContact CG2-CB 4.03Å; V253-E262 HydrophobicContact CG2-CG 3.89Å; E262-L264 HydrophobicContact CG-CD1 4.06Å
263F96.6Very high90.6Very high2 Ų255.5 Ų55.51%0.00934%0.338CS..EExtended strand (participates in β ladder)trans-104.4140172.2-67-77.4000111.3I202 R208 A209 E211 V214 I239 V243 L248 E249 Y250I202-F263 HydrophobicContact CD1-CB 3.77Å; I202-F263 HydrophobicContact CG1-CB 4.28Å; R208-F263 WeakPolarHBondContact CA-O 3.25Å; A209-F263 PolarHBondContact N-O 2.93Å; A209-F263 PolarHBondContact O-N 3.32Å; E211-F263 HydrophobicContact CB-CE2 4.16Å; E211-F263 HydrophobicContact CG-CE2 3.67Å; E211-F263 HydrophobicContact CG-CZ 4.21Å; V214-F263 HydrophobicContact CB-CD2 4.03Å; V214-F263 HydrophobicContact CB-CE2 4.15Å; V214-F263 HydrophobicContact CG1-CD2 4.41Å; V214-F263 HydrophobicContact CG1-CE2 4.33Å; V214-F263 HydrophobicContact CG2-CB 4.46Å; V214-F263 HydrophobicContact CG2-CD2 3.6Å; V214-F263 HydrophobicContact CG2-CE2 4.24Å; V214-F263 HydrophobicContact CG2-CG 4.37Å; I239-F263 HydrophobicContact CG2-CE1 3.8Å; I239-F263 HydrophobicContact CG2-CZ 3.64Å; V243-F263 HydrophobicContact CG2-CE1 4.13Å; L248-F263 HydrophobicContact CB-CD1 4.36Å; L248-F263 HydrophobicContact CD1-CD1 4.12Å; E249-F263 CarbonylContact O-C 3.59Å; E249-F263 VanDerWaalsContact O-CA 3.28Å; E249-F263 WeakPolarHBondContact O-CA 3.35Å; Y250-F263 AromaticContact CD2-CD1 3.72Å; Y250-F263 HydrophobicContact CD2-CD1 3.72Å; Y250-F263 HydrophobicContact CD2-CD2 4.44Å; Y250-F263 AromaticContact CD2-CE1 3.26Å; Y250-F263 HydrophobicContact CD2-CE1 3.26Å; Y250-F263 HydrophobicContact CD2-CE2 4.08Å; Y250-F263 HydrophobicContact CD2-CG 4.29Å; Y250-F263 AromaticContact CD2-CZ 3.46Å; Y250-F263 HydrophobicContact CD2-CZ 3.46Å; Y250-F263 VanDerWaalsContact CD2-CZ 3.46Å; Y250-F263 HydrophobicContact CE2-CE1 4.03Å; Y250-F263 HydrophobicContact CE2-CE2 4.16Å; Y250-F263 AromaticContact CE2-CZ 3.72Å; Y250-F263 HydrophobicContact CE2-CZ 3.72Å; Y250-F263 HydrophobicContact CG-CD1 4.38Å; Y250-F263 AromaticContact CG-CE1 3.92Å; Y250-F263 HydrophobicContact CG-CE1 3.92Å; Y250-F263 HydrophobicContact CG-CZ 4.43Å
264L95.9Very high90.4Very high20 Ų2055.7 Ų55.711%0.10534%0.339CS..EExtended strand (participates in β ladder)trans-128.3165.8171-58.392.8000109.8R208 L248 E249 R251 E262 G266R208-L264 HydrophobicContact CG-CD2 3.76Å; R208-L264 HydrophobicContact CG-CG 4.02Å; L248-L264 CarbonylContact C-O 3.39Å; L248-L264 VanDerWaalsContact CA-O 3.29Å; L248-L264 WeakPolarHBondContact CA-O 3.26Å; E249-L264 HydrophobicContact CB-CB 4.3Å; E249-L264 PolarHBondContact N-O 2.82Å; E249-L264 PolarHBondContact O-N 3.14Å; R251-L264 HydrophobicContact CG-CD1 3.99Å; E262-L264 HydrophobicContact CG-CD1 4.06Å; L264-G266 PolarHBondContact O-N 3.38Å
265W95.7Very high90.4Very high10 Ų1051.6 Ų51.64%0.03831%0.31CS..EExtended strand (participates in β ladder)trans-67.7130167.2-74.430.6000109.2L199 F203 A269 H270 T273 K275 V278L199-W265 HydrophobicContact CB-CZ2 3.83Å; L199-W265 HydrophobicContact CD2-CB 4.49Å; L199-W265 HydrophobicContact CD2-CD2 3.87Å; L199-W265 HydrophobicContact CD2-CG 3.74Å; L199-W265 PolarHBondContact O-NE1 3.08Å; F203-W265 HydrophobicContact CB-CZ2 4.23Å; W265-A269 HydrophobicContact CB-CB 4.26Å; W265-A269 HydrophobicContact CD2-CB 4.33Å; W265-A269 HydrophobicContact CE3-CB 4.07Å; W265-A269 HydrophobicContact CG-CB 4.43Å; W265-H270 WeakPolarHBondContact CB-NE2 3.46Å; W265-H270 AromaticContact CE3-CE1 3.88Å; W265-H270 AromaticContact CE3-ND1 3.93Å; W265-T273 HydrophobicContact CH2-CG2 4.08Å; W265-T273 HydrophobicContact CZ3-CG2 3.84Å; W265-K275 HydrophobicContact CH2-CG 3.96Å; W265-K275 HydrophobicContact CZ2-CG 4.41Å; W265-K275 HydrophobicContact CZ3-CG 4.18Å; W265-V278 HydrophobicContact CH2-CB 4.08Å; W265-V278 HydrophobicContact CH2-CG2 3.47Å; W265-V278 VanDerWaalsContact CH2-CG2 3.47Å; W265-V278 HydrophobicContact CZ2-CB 4.14Å; W265-V278 HydrophobicContact CZ2-CG1 4.26Å; W265-V278 HydrophobicContact CZ2-CG2 3.71Å
266G94.3Very high90.5Very high0 Ų048 Ų480%027%0.271CS..  trans-85.7174.1173.400000112.8N246 Y247 L264 R268 A269 H270N246-G266 CarbonylContact O-C 3.07Å; N246-G266 VanDerWaalsContact O-C 3.28Å; N246-G266 WeakPolarHBondContact O-CA 3.33Å; Y247-G266 PolarHBondContact O-N 2.96Å; L264-G266 PolarHBondContact O-N 3.38Å; G266-R268 PolarHBondContact O-N 3.01Å; G266-A269 PolarHBondContact O-N 3.26Å; G266-A269 VanDerWaalsContact O-N 3.15Å; G266-H270 PolarHBondContact O-CD2 2.87Å; G266-H270 PolarHBondContact O-N 3.03Å
267P91.3Very high90.3Very high76 Ų7652 Ų5249%0.49429%0.285SS..Hα-helixtrans-60.7-33.2-174.523.5-33.9000112.8N246 H270 A271N246-P267 HydrophobicContact CB-CG 3.95Å; N246-P267 WeakPolarHBondContact O-CD 3.4Å; P267-H270 PolarHBondContact O-N 3.49Å; P267-A271 PolarHBondContact O-N 2.82Å
268R88.7Confident90.3Very high71 Ų7144.6 Ų44.627%0.26825%0.246SC..Hα-helixtrans-71.2-38.4178.7-166.6174.5-177.4-171.1-4.3112.3E245 N246 Y247 G266 H270 A271 E272E245-R268 WeakPolarHBondContact O-CD 3.5Å; E245-R268 IonicContact OE2-CZ 2.69Å; E245-R268 IonicContact OE2-NH1 3.54Å; E245-R268 PolarHBondContact OE2-NH1 3.15Å; N246-R268 HydrophobicContact CB-CB 4.25Å; N246-R268 VanDerWaalsContact O-CB 3.26Å; N246-R268 WeakPolarHBondContact O-CB 3.41Å; N246-R268 PolarHBondContact O-N 2.92Å; Y247-R268 HydrophobicContact CD1-CB 4.37Å; Y247-R268 HydrophobicContact CD1-CG 4.3Å; Y247-R268 HydrophobicContact CE1-CG 4.01Å; Y247-R268 HydrophobicContact CE2-CG 4.34Å; G266-R268 PolarHBondContact O-N 3.01Å; R268-H270 VanDerWaalsContact C-N 3.3Å; R268-H270 PolarHBondContact O-N 2.77Å; R268-A271 PolarHBondContact O-N 3.3Å; R268-A271 VanDerWaalsContact O-N 3.15Å; R268-E272 HydrophobicContact CG-CG 4.25Å; R268-E272 WeakPolarHBondContact CG-OE1 3.04Å; R268-E272 IonicContact CZ-OE1 3.52Å; R268-E272 IonicContact NE-OE1 3.57Å; R268-E272 PolarHBondContact NE-OE1 2.95Å; R268-E272 IonicContact NH2-OE1 2.75Å; R268-E272 PolarHBondContact NH2-OE1 3.26Å; R268-E272 PolarHBondContact O-N 3.01Å
269A90.4Very high90.2Very high0 Ų039.7 Ų39.70%021%0.214CC..Hα-helixtrans-61-41.7174.300000111.3L199 Y247 W265 G266 A271 T273L199-A269 HydrophobicContact CD1-CB 4.05Å; L199-A269 HydrophobicContact CD2-CB 3.76Å; Y247-A269 HydrophobicContact CD1-CB 4.08Å; Y247-A269 VanDerWaalsContact O-CB 3.25Å; Y247-A269 WeakPolarHBondContact O-CB 3.17Å; W265-A269 HydrophobicContact CB-CB 4.26Å; W265-A269 HydrophobicContact CD2-CB 4.33Å; W265-A269 HydrophobicContact CE3-CB 4.07Å; W265-A269 HydrophobicContact CG-CB 4.43Å; G266-A269 PolarHBondContact O-N 3.26Å; G266-A269 VanDerWaalsContact O-N 3.15Å; A269-A271 VanDerWaalsContact C-N 3.32Å; A269-A271 PolarHBondContact O-N 3.3Å; A269-T273 CarbonylContact O-C 3.51Å; A269-T273 WeakPolarHBondContact O-CG2 3.48Å; A269-T273 PolarHBondContact O-N 3.05Å; A269-T273 VanDerWaalsContact O-O 3.11Å
270H88.9Confident89.8Confident93 Ų9341.7 Ų41.743%0.43122%0.215SC..Hα-helixtrans-66.1-31.2174.9-75.4-65.3000113.8W265 G266 P267 R268W265-H270 WeakPolarHBondContact CB-NE2 3.46Å; W265-H270 AromaticContact CE3-CE1 3.88Å; W265-H270 AromaticContact CE3-ND1 3.93Å; G266-H270 PolarHBondContact O-CD2 2.87Å; G266-H270 PolarHBondContact O-N 3.03Å; P267-H270 PolarHBondContact O-N 3.49Å; R268-H270 VanDerWaalsContact C-N 3.3Å; R268-H270 PolarHBondContact O-N 2.77Å
271A86Confident89Confident84 Ų8441.3 Ų41.369%0.69421%0.21SC*.Hα-helixtrans-76.5-41.3178.100000112.8P267 R268 A269P267-A271 PolarHBondContact O-N 2.82Å; R268-A271 PolarHBondContact O-N 3.3Å; R268-A271 VanDerWaalsContact O-N 3.15Å; A269-A271 VanDerWaalsContact C-N 3.32Å; A269-A271 PolarHBondContact O-N 3.3Å
272E83.8Confident88.3Confident52 Ų5238.2 Ų38.224%0.24320%0.199CC..Hα-helixtrans-92.8-28.2-171.2-64.7-168.3-156.600113.4Y247 R268Y247-E272 PolarHBondContact OH-OE1 3.25Å; Y247-E272 PolarHBondContact OH-OE2 3.11Å; R268-E272 HydrophobicContact CG-CG 4.25Å; R268-E272 WeakPolarHBondContact CG-OE1 3.04Å; R268-E272 IonicContact CZ-OE1 3.52Å; R268-E272 IonicContact NE-OE1 3.57Å; R268-E272 PolarHBondContact NE-OE1 2.95Å; R268-E272 IonicContact NH2-OE1 2.75Å; R268-E272 PolarHBondContact NH2-OE1 3.26Å; R268-E272 PolarHBondContact O-N 3.01Å
273T86.1Confident87.6Confident4 Ų437.4 Ų37.43%0.02520%0.196CC..  trans-132.6168.4-178.9-164.30000112.3M196 L199 W265 A269 V278M196-T273 HydrophobicContact SD-CG2 4.18Å; L199-T273 HydrophobicContact CD1-CG2 4.02Å; W265-T273 HydrophobicContact CH2-CG2 4.08Å; W265-T273 HydrophobicContact CZ3-CG2 3.84Å; A269-T273 CarbonylContact O-C 3.51Å; A269-T273 WeakPolarHBondContact O-CG2 3.48Å; A269-T273 PolarHBondContact O-N 3.05Å; A269-T273 VanDerWaalsContact O-O 3.11Å; T273-V278 HydrophobicContact CG2-CG2 4.14Å
274T87.9Confident86.5Confident41 Ų4142.7 Ų42.725%0.25222%0.219SC..  trans-127.3155.2176.569.50000109.3M276 K277 V278T274-M276 PolarHBondContact O-N 3.36Å; T274-M276 VanDerWaalsContact O-N 3.11Å; T274-K277 WeakPolarHBondContact O-CB 3.27Å; T274-K277 PolarHBondContact O-N 3.5Å; T274-K277 WeakPolarHBondContact OG1-CG 3.13Å; T274-K277 PolarHBondContact OG1-N 2.96Å; T274-K277 VanDerWaalsContact OG1-N 3.16Å; T274-V278 PolarHBondContact O-N 3.43Å
275K89.9Confident85.1Confident26 Ų2643 Ų4311%0.11322%0.221CC..Hα-helixtrans-54.4-33.4175.6-68.2175.1-168.6159.20111.9F203 N207 W265 L279 A300 D303F203-K275 HydrophobicContact CD2-CB 4.24Å; F203-K275 HydrophobicContact CD2-CD 3.85Å; F203-K275 HydrophobicContact CD2-CG 3.93Å; F203-K275 HydrophobicContact CE1-CB 4.14Å; F203-K275 HydrophobicContact CE2-CB 3.9Å; F203-K275 HydrophobicContact CE2-CD 3.61Å; F203-K275 HydrophobicContact CE2-CG 3.92Å; F203-K275 HydrophobicContact CG-CG 4.43Å; F203-K275 HydrophobicContact CZ-CB 3.82Å; F203-K275 HydrophobicContact CZ-CD 4.34Å; F203-K275 HydrophobicContact CZ-CG 4.36Å; N207-K275 WeakPolarHBondContact OD1-CE 3.32Å; N207-K275 PolarHBondContact OD1-NZ 3.11Å; W265-K275 HydrophobicContact CH2-CG 3.96Å; W265-K275 HydrophobicContact CZ2-CG 4.41Å; W265-K275 HydrophobicContact CZ3-CG 4.18Å; K275-L279 VanDerWaalsContact O-CB 3.27Å; K275-L279 WeakPolarHBondContact O-CB 3.38Å; K275-L279 PolarHBondContact O-N 2.92Å; K275-A300 HydrophobicContact CB-CB 3.94Å; K275-D303 HydrophobicContact CB-CB 4.48Å; K275-D303 HydrophobicContact CD-CB 3.91Å; K275-D303 WeakPolarHBondContact CE-OD1 3.44Å; K275-D303 IonicContact NZ-OD1 2.75Å; K275-D303 PolarHBondContact NZ-OD1 3.48Å
276M89.2Confident83.7Confident8 Ų847.2 Ų47.24%0.03924%0.244CC..Hα-helixtrans-69.3-40.7174.6-17459.669.800113.3T274 V278 L279 K280 Y297 A300 L301 Q304T274-M276 PolarHBondContact O-N 3.36Å; T274-M276 VanDerWaalsContact O-N 3.11Å; M276-V278 VanDerWaalsContact C-N 3.35Å; M276-L279 PolarHBondContact O-N 3.44Å; M276-K280 HydrophobicContact CG-CD 4.38Å; M276-K280 WeakPolarHBondContact O-CB 3.42Å; M276-K280 VanDerWaalsContact O-CG 3.28Å; M276-K280 WeakPolarHBondContact O-CG 3.27Å; M276-K280 PolarHBondContact O-N 2.87Å; M276-Y297 HydrophobicContact CE-CD2 3.77Å; M276-Y297 HydrophobicContact CE-CE2 3.54Å; M276-Y297 HydrophobicContact SD-CD2 4.13Å; M276-Y297 HydrophobicContact SD-CE2 3.88Å; M276-A300 HydrophobicContact CB-CB 4.1Å; M276-A300 HydrophobicContact CE-CB 3.73Å; M276-A300 HydrophobicContact SD-CB 4.39Å; M276-L301 HydrophobicContact CE-CD2 3.76Å; M276-L301 HydrophobicContact CE-CG 3.91Å; M276-Q304 VanDerWaalsContact CG-NE2 3.31Å
277K85.3Confident82.5Confident107 Ų10750.8 Ų50.847%0.46528%0.282SS..Hα-helixtrans-61.6-45.4174.3-74.9176-179.8179.50110.6T274 K280 V281T274-K277 WeakPolarHBondContact O-CB 3.27Å; T274-K277 PolarHBondContact O-N 3.5Å; T274-K277 WeakPolarHBondContact OG1-CG 3.13Å; T274-K277 PolarHBondContact OG1-N 2.96Å; T274-K277 VanDerWaalsContact OG1-N 3.16Å; K277-K280 PolarHBondContact O-N 2.88Å; K277-V281 WeakPolarHBondContact O-CG2 3.45Å; K277-V281 PolarHBondContact O-N 3.12Å; K277-V281 VanDerWaalsContact O-N 3.12Å
278V85.8Confident82Confident3 Ų349.7 Ų49.72%0.01827%0.273CS..Hα-helixtrans-62.7-44176.5172.80000111.5M196 L199 W265 T273 T274 M276 K280 V281 L282M196-V278 HydrophobicContact CE-CG2 3.66Å; M196-V278 HydrophobicContact SD-CG2 4Å; L199-V278 HydrophobicContact CB-CG2 4.4Å; W265-V278 HydrophobicContact CH2-CB 4.08Å; W265-V278 HydrophobicContact CH2-CG2 3.47Å; W265-V278 VanDerWaalsContact CH2-CG2 3.47Å; W265-V278 HydrophobicContact CZ2-CB 4.14Å; W265-V278 HydrophobicContact CZ2-CG1 4.26Å; W265-V278 HydrophobicContact CZ2-CG2 3.71Å; T273-V278 HydrophobicContact CG2-CG2 4.14Å; T274-V278 PolarHBondContact O-N 3.43Å; M276-V278 VanDerWaalsContact C-N 3.35Å; V278-K280 VanDerWaalsContact C-N 3.33Å; V278-K280 PolarHBondContact O-N 3.22Å; V278-V281 PolarHBondContact O-N 3.41Å; V278-L282 PolarHBondContact O-N 3.31Å
279L85.8Confident81.7Confident0 Ų050.3 Ų50.30%029%0.285CS..Hα-helixtrans-62.8-37.9176.9-173.460.4000112.7F203 K275 M276 L282 A283 P290 F293 L296 Y297 A300F203-L279 HydrophobicContact CE1-CB 4.18Å; F203-L279 HydrophobicContact CE1-CD1 4.42Å; K275-L279 VanDerWaalsContact O-CB 3.27Å; K275-L279 WeakPolarHBondContact O-CB 3.38Å; K275-L279 PolarHBondContact O-N 2.92Å; M276-L279 PolarHBondContact O-N 3.44Å; L279-L282 HydrophobicContact CD1-CD2 4.4Å; L279-L282 PolarHBondContact O-N 2.92Å; L279-A283 VanDerWaalsContact O-CB 3.32Å; L279-A283 WeakPolarHBondContact O-CB 3.44Å; L279-A283 PolarHBondContact O-N 3.22Å; L279-P290 HydrophobicContact CD2-CB 4.01Å; L279-P290 HydrophobicContact CG-CB 4Å; L279-F293 HydrophobicContact CD1-CB 4.11Å; L279-F293 HydrophobicContact CD1-CD2 3.94Å; L279-F293 HydrophobicContact CD1-CG 4.19Å; L279-L296 HydrophobicContact CD1-CB 3.89Å; L279-L296 HydrophobicContact CD1-CD1 4.18Å; L279-L296 HydrophobicContact CD2-CB 4.2Å; L279-Y297 HydrophobicContact CD2-CD2 4.01Å; L279-A300 HydrophobicContact CD2-CB 4.28Å
280K82.9Confident81.4Confident122 Ų12251.6 Ų51.653%0.5329%0.293SS..Hα-helixtrans-62.4-43174.4-76.8172.5178.4-177.30112.1M276 K277 V278 K284 P290M276-K280 HydrophobicContact CG-CD 4.38Å; M276-K280 WeakPolarHBondContact O-CB 3.42Å; M276-K280 VanDerWaalsContact O-CG 3.28Å; M276-K280 WeakPolarHBondContact O-CG 3.27Å; M276-K280 PolarHBondContact O-N 2.87Å; K277-K280 PolarHBondContact O-N 2.88Å; V278-K280 VanDerWaalsContact C-N 3.33Å; V278-K280 PolarHBondContact O-N 3.22Å; K280-K284 WeakPolarHBondContact O-CB 3.4Å; K280-K284 PolarHBondContact O-N 3.47Å; K280-P290 HydrophobicContact CB-CG 4.44Å; K280-P290 HydrophobicContact CG-CG 3.72Å
281V76.2Confident81.2Confident43 Ų4350.3 Ų50.326%0.26130%0.295SS..Hα-helixtrans-62.5-47.9175.3174.40000110.2L175 M196 K277 V278 A283 K284 V285L175-V281 HydrophobicContact CD2-CG2 4.38Å; M196-V281 HydrophobicContact CE-CG2 4.14Å; K277-V281 WeakPolarHBondContact O-CG2 3.45Å; K277-V281 PolarHBondContact O-N 3.12Å; K277-V281 VanDerWaalsContact O-N 3.12Å; V278-V281 PolarHBondContact O-N 3.41Å; V281-A283 PolarHBondContact O-N 3.15Å; V281-K284 PolarHBondContact O-N 3Å; V281-V285 WeakPolarHBondContact O-CG2 3.2Å; V281-V285 PolarHBondContact O-N 3.11Å
282L77.4Confident81.1Confident22 Ų2248.9 Ų48.912%0.11528%0.283CS..Hα-helixtrans-59.9-45.4178.9-176.969.2000112.3M204 V278 L279 K284 V285 N286M204-L282 HydrophobicContact CE-CD1 4.26Å; M204-L282 HydrophobicContact CE-CD2 4.26Å; M204-L282 HydrophobicContact CG-CD2 3.92Å; M204-L282 HydrophobicContact SD-CD1 4.31Å; M204-L282 HydrophobicContact SD-CD2 3.45Å; M204-L282 WeakPolarHBondContact SD-CD2 3.41Å; V278-L282 PolarHBondContact O-N 3.31Å; L279-L282 HydrophobicContact CD1-CD2 4.4Å; L279-L282 PolarHBondContact O-N 2.92Å; L282-K284 VanDerWaalsContact C-N 3.34Å; L282-K284 PolarHBondContact O-N 3.4Å; L282-V285 PolarHBondContact O-N 3.32Å; L282-N286 PolarHBondContact O-N 3Å; L282-N286 PolarHBondContact O-ND2 3.32Å
283A81Confident81Confident1 Ų149 Ų491%0.00828%0.283CS..Hα-helixtrans-62.7-43178.500000111.5L279 V281 V285 N286 G287 T288 P290 F293L279-A283 VanDerWaalsContact O-CB 3.32Å; L279-A283 WeakPolarHBondContact O-CB 3.44Å; L279-A283 PolarHBondContact O-N 3.22Å; V281-A283 PolarHBondContact O-N 3.15Å; A283-V285 PolarHBondContact O-N 3.23Å; A283-N286 CarbonylContact O-C 3.43Å; A283-N286 PolarHBondContact O-N 2.93Å; A283-N286 VanDerWaalsContact O-N 3.14Å; A283-G287 PolarHBondContact O-N 3.42Å; A283-G287 VanDerWaalsContact O-N 3.13Å; A283-T288 CarbonylContact C-O 3.57Å; A283-T288 VanDerWaalsContact C-O 3.26Å; A283-T288 HydrophobicContact CB-CG2 4.32Å; A283-T288 WeakPolarHBondContact CB-O 3.28Å; A283-T288 CarbonylContact O-C 3.07Å; A283-T288 WeakPolarHBondContact O-CG2 3.45Å; A283-T288 PolarHBondContact O-N 3.42Å; A283-T288 VanDerWaalsContact O-O 3.06Å; A283-P290 HydrophobicContact CB-CG 4.06Å; A283-F293 HydrophobicContact CB-CE2 4.12Å
284K73.4Confident81Confident113 Ų11352.9 Ų52.949%0.49131%0.308SS..Hα-helixtrans-60.8-44.8177.1-171.2171.6-174.5176.30112.2E158 K174 K280 V281 L282 N286 G287E158-K284 IonicContact OE1-NZ 2.71Å; K174-K284 VanDerWaalsContact CE-CE 3.44Å; K174-K284 VanDerWaalsContact NZ-NZ 3.2Å; K280-K284 WeakPolarHBondContact O-CB 3.4Å; K280-K284 PolarHBondContact O-N 3.47Å; V281-K284 PolarHBondContact O-N 3Å; L282-K284 VanDerWaalsContact C-N 3.34Å; L282-K284 PolarHBondContact O-N 3.4Å; K284-N286 PolarHBondContact O-N 3.16Å; K284-G287 PolarHBondContact O-N 2.85Å
285V67.1Low80.8Confident26 Ų2657.3 Ų57.316%0.15833%0.33CS..Hα-helixtrans-59.6-34.8176.8170.40000111.7E152 L153 V281 L282 A283 G287E152-V285 HydrophobicContact CB-CG2 4.4Å; L153-V285 HydrophobicContact CB-CG1 4.01Å; L153-V285 HydrophobicContact CB-CG2 4.13Å; L153-V285 HydrophobicContact CD1-CG1 4.14Å; L153-V285 HydrophobicContact CD1-CG2 4.1Å; L153-V285 HydrophobicContact CD2-CG1 4.35Å; L153-V285 HydrophobicContact CG-CG1 4.39Å; V281-V285 WeakPolarHBondContact O-CG2 3.2Å; V281-V285 PolarHBondContact O-N 3.11Å; L282-V285 PolarHBondContact O-N 3.32Å; A283-V285 PolarHBondContact O-N 3.23Å; V285-G287 VanDerWaalsContact C-N 3.31Å
286N66.8Low80.6Confident99 Ų9957.1 Ų57.153%0.52933%0.33SS..THydrogen-bonded Turntrans-87.45.6178.5-71.6-71.2000113.5L282 A283 K284 T288L282-N286 PolarHBondContact O-N 3Å; L282-N286 PolarHBondContact O-ND2 3.32Å; A283-N286 CarbonylContact O-C 3.43Å; A283-N286 PolarHBondContact O-N 2.93Å; A283-N286 VanDerWaalsContact O-N 3.14Å; K284-N286 PolarHBondContact O-N 3.16Å; N286-T288 HydrophobicContact CB-CG2 3.54Å; N286-T288 PolarHBondContact O-N 3.06Å
287G69.4Low80.5Confident76 Ų7660.7 Ų60.778%0.78434%0.344SS*.THydrogen-bonded Turntrans63.329.6-178.600000113.6A283 K284 V285A283-G287 PolarHBondContact O-N 3.42Å; A283-G287 VanDerWaalsContact O-N 3.13Å; K284-G287 PolarHBondContact O-N 2.85Å; V285-G287 VanDerWaalsContact C-N 3.31Å
288T80.5Confident80.5Confident52 Ų5260.7 Ų60.732%0.31935%0.346SS..SBendtrans-132.9178.9-173177.90000111A283 N286 A292 F293A283-T288 CarbonylContact C-O 3.57Å; A283-T288 VanDerWaalsContact C-O 3.26Å; A283-T288 HydrophobicContact CB-CG2 4.32Å; A283-T288 WeakPolarHBondContact CB-O 3.28Å; A283-T288 CarbonylContact O-C 3.07Å; A283-T288 WeakPolarHBondContact O-CG2 3.45Å; A283-T288 PolarHBondContact O-N 3.42Å; A283-T288 VanDerWaalsContact O-O 3.06Å; N286-T288 HydrophobicContact CB-CG2 3.54Å; N286-T288 PolarHBondContact O-N 3.06Å; T288-A292 WeakPolarHBondContact OG1-CB 3.26Å; T288-F293 HydrophobicContact CG2-CE2 3.85Å; T288-F293 HydrophobicContact CG2-CZ 4.11Å
289V82.3Confident80.5Confident84 Ų8463.7 Ų63.751%0.50936%0.361SS..  trans-102150.1178.8-67.80000110.9S291 A292V289-S291 WeakPolarHBondContact CG2-OG 3.07Å; V289-S291 PolarHBondContact O-N 3.11Å; V289-S291 VanDerWaalsContact O-N 3.11Å; V289-A292 HydrophobicContact CG2-CB 4.26Å; V289-A292 WeakPolarHBondContact O-CB 3.3Å; V289-A292 PolarHBondContact O-N 2.82Å
290P83.8Confident80.6Confident27 Ų2763.7 Ų63.718%0.17536%0.361CS..G310 helixtrans-53-34.2178.4-3037000114.2L279 K280 A283 A292 F293 Y297L279-P290 HydrophobicContact CD2-CB 4.01Å; L279-P290 HydrophobicContact CG-CB 4Å; K280-P290 HydrophobicContact CB-CG 4.44Å; K280-P290 HydrophobicContact CG-CG 3.72Å; A283-P290 HydrophobicContact CB-CG 4.06Å; P290-A292 PolarHBondContact O-N 3.45Å; P290-F293 PolarHBondContact O-N 3.21Å; P290-F293 VanDerWaalsContact O-N 3.11Å; P290-Y297 HydrophobicContact CB-CD2 3.73Å; P290-Y297 HydrophobicContact CB-CE2 3.98Å
291S84.6Confident80.8Confident67 Ų6761.2 Ų61.247%0.46935%0.353SS..G310 helixtrans-67.3-16.1178.250.20000113.9V289 F293V289-S291 WeakPolarHBondContact CG2-OG 3.07Å; V289-S291 PolarHBondContact O-N 3.11Å; V289-S291 VanDerWaalsContact O-N 3.11Å; S291-F293 PolarHBondContact O-N 3.11Å
292A84.9Confident81.2Confident53 Ų5367.4 Ų67.444%0.43837%0.372SS..G310 helixtrans-70.1-5.6171.300000113T288 V289 P290 P294T288-A292 WeakPolarHBondContact OG1-CB 3.26Å; V289-A292 HydrophobicContact CG2-CB 4.26Å; V289-A292 WeakPolarHBondContact O-CB 3.3Å; V289-A292 PolarHBondContact O-N 2.82Å; P290-A292 PolarHBondContact O-N 3.45Å; A292-P294 WeakPolarHBondContact O-CD 3.21Å
293F81.9Confident81.4Confident55 Ų5568.7 Ų68.724%0.24138%0.379CS..SBendtrans-115.774.5169.8-54.7-84.8000110L279 A283 T288 P290 S291 N295 L296 Y297L279-F293 HydrophobicContact CD1-CB 4.11Å; L279-F293 HydrophobicContact CD1-CD2 3.94Å; L279-F293 HydrophobicContact CD1-CG 4.19Å; A283-F293 HydrophobicContact CB-CE2 4.12Å; T288-F293 HydrophobicContact CG2-CE2 3.85Å; T288-F293 HydrophobicContact CG2-CZ 4.11Å; P290-F293 PolarHBondContact O-N 3.21Å; P290-F293 VanDerWaalsContact O-N 3.11Å; S291-F293 PolarHBondContact O-N 3.11Å; F293-N295 VanDerWaalsContact C-N 3.33Å; F293-N295 PolarHBondContact O-N 3.28Å; F293-L296 HydrophobicContact CB-CB 4.02Å; F293-L296 HydrophobicContact CB-CD1 4.09Å; F293-L296 HydrophobicContact CB-CG 4.34Å; F293-L296 HydrophobicContact CD1-CD1 4.39Å; F293-L296 HydrophobicContact CG-CD1 4.42Å; F293-L296 PolarHBondContact O-N 2.93Å; F293-L296 VanDerWaalsContact O-N 3.11Å; F293-Y297 WeakPolarHBondContact O-CB 3.35Å; F293-Y297 PolarHBondContact O-N 2.76Å
294P84.4Confident81.2Confident86 Ų8673 Ų7356%0.55840%0.399SS*.Hα-helixtrans-55.4-43.3-166.4-26.834.5000114A292 Y297 Q298A292-P294 WeakPolarHBondContact O-CD 3.21Å; P294-Y297 PolarHBondContact O-N 3.47Å; P294-Q298 WeakPolarHBondContact O-CB 3.3Å; P294-Q298 VanDerWaalsContact O-CG 3.3Å; P294-Q298 WeakPolarHBondContact O-CG 3.3Å; P294-Q298 PolarHBondContact O-N 3.29Å
295N85.1Confident80.7Confident133 Ų13371 Ų7171%0.71140%0.404SS*.Hα-helixtrans-65.3-45.6180-66.5-22.8000112F293 L299F293-N295 VanDerWaalsContact C-N 3.33Å; F293-N295 PolarHBondContact O-N 3.28Å; N295-L299 VanDerWaalsContact O-CG 3.3Å; N295-L299 WeakPolarHBondContact O-CG 3.44Å; N295-L299 PolarHBondContact O-N 3.17Å; N295-L299 VanDerWaalsContact O-N 3.08Å
296L85.4Confident80.2Confident23 Ų2373 Ų7312%0.1243%0.43CS..Hα-helixtrans-69.8-37.7178.6-60177.8000111.1F203 M204 L279 F293 L299 A300F203-L296 HydrophobicContact CD1-CD2 4.47Å; F203-L296 HydrophobicContact CE1-CB 3.85Å; F203-L296 HydrophobicContact CE1-CD2 4.21Å; F203-L296 HydrophobicContact CE1-CG 4.46Å; F203-L296 HydrophobicContact CE2-CD2 4.37Å; F203-L296 HydrophobicContact CZ-CB 3.99Å; F203-L296 HydrophobicContact CZ-CD2 4.16Å; F203-L296 VanDerWaalsContact CZ-O 3.3Å; F203-L296 WeakPolarHBondContact CZ-O 3.04Å; M204-L296 HydrophobicContact CB-CD1 4.41Å; M204-L296 HydrophobicContact CG-CD1 3.69Å; L279-L296 HydrophobicContact CD1-CB 3.89Å; L279-L296 HydrophobicContact CD1-CD1 4.18Å; L279-L296 HydrophobicContact CD2-CB 4.2Å; F293-L296 HydrophobicContact CB-CB 4.02Å; F293-L296 HydrophobicContact CB-CD1 4.09Å; F293-L296 HydrophobicContact CB-CG 4.34Å; F293-L296 HydrophobicContact CD1-CD1 4.39Å; F293-L296 HydrophobicContact CG-CD1 4.42Å; F293-L296 PolarHBondContact O-N 2.93Å; F293-L296 VanDerWaalsContact O-N 3.11Å; L296-L299 PolarHBondContact O-N 3.11Å; L296-A300 VanDerWaalsContact O-CB 3.26Å; L296-A300 WeakPolarHBondContact O-CB 3.22Å; L296-A300 PolarHBondContact O-N 3.33Å
297Y86.6Confident79.5Confident82 Ų8271 Ų7132%0.32243%0.432SS..Hα-helixtrans-62.2-46.3177.1-170.3-106.7000111.7M276 L279 P290 F293 P294 L299 A300 L301M276-Y297 HydrophobicContact CE-CD2 3.77Å; M276-Y297 HydrophobicContact CE-CE2 3.54Å; M276-Y297 HydrophobicContact SD-CD2 4.13Å; M276-Y297 HydrophobicContact SD-CE2 3.88Å; L279-Y297 HydrophobicContact CD2-CD2 4.01Å; P290-Y297 HydrophobicContact CB-CD2 3.73Å; P290-Y297 HydrophobicContact CB-CE2 3.98Å; F293-Y297 WeakPolarHBondContact O-CB 3.35Å; F293-Y297 PolarHBondContact O-N 2.76Å; P294-Y297 PolarHBondContact O-N 3.47Å; Y297-L299 PolarHBondContact O-N 3.08Å; Y297-A300 PolarHBondContact O-N 3.49Å; Y297-L301 HydrophobicContact CD1-CD1 3.84Å; Y297-L301 HydrophobicContact CD1-CG 4.42Å; Y297-L301 HydrophobicContact CE1-CD1 3.51Å; Y297-L301 HydrophobicContact CE1-CG 4.17Å; Y297-L301 WeakPolarHBondContact O-CG 3.47Å; Y297-L301 PolarHBondContact O-N 3.4Å
298Q86.1Confident78Confident107 Ų10772.4 Ų72.450%0.543%0.425SS..Hα-helixtrans-58.6-46.5173.7-77.2-83.3-11.700112.1P294 A300 L301 R302P294-Q298 WeakPolarHBondContact O-CB 3.3Å; P294-Q298 VanDerWaalsContact O-CG 3.3Å; P294-Q298 WeakPolarHBondContact O-CG 3.3Å; P294-Q298 PolarHBondContact O-N 3.29Å; Q298-A300 VanDerWaalsContact C-N 3.35Å; Q298-A300 PolarHBondContact O-N 3Å; Q298-L301 PolarHBondContact O-N 3.05Å; Q298-R302 WeakPolarHBondContact O-CG 3.44Å; Q298-R302 PolarHBondContact O-N 3.28Å
299L85.8Confident75.9Confident66 Ų6675.1 Ų75.135%0.34644%0.444SS..Hα-helixtrans-62.4-41.6177.3-71.6171.6000112.1F203 N295 L296 Y297 L301 R302 D303F203-L299 HydrophobicContact CE2-CB 4Å; F203-L299 HydrophobicContact CZ-CB 4.16Å; N295-L299 VanDerWaalsContact O-CG 3.3Å; N295-L299 WeakPolarHBondContact O-CG 3.44Å; N295-L299 PolarHBondContact O-N 3.17Å; N295-L299 VanDerWaalsContact O-N 3.08Å; L296-L299 PolarHBondContact O-N 3.11Å; Y297-L299 PolarHBondContact O-N 3.08Å; L299-L301 VanDerWaalsContact C-N 3.33Å; L299-L301 PolarHBondContact O-N 3.48Å; L299-R302 PolarHBondContact O-N 2.94Å; L299-D303 WeakPolarHBondContact O-CB 3.48Å; L299-D303 PolarHBondContact O-N 2.89Å; L299-D303 VanDerWaalsContact O-N 3.1Å
300A87.6Confident73.8Confident0 Ų082.9 Ų82.90%046%0.464CS..Hα-helixtrans-69.3-27.8177.900000113.4F203 K275 M276 L279 L296 Y297 Q298 Q304F203-A300 HydrophobicContact CE1-CB 4.42Å; F203-A300 HydrophobicContact CZ-CB 3.99Å; K275-A300 HydrophobicContact CB-CB 3.94Å; M276-A300 HydrophobicContact CB-CB 4.1Å; M276-A300 HydrophobicContact CE-CB 3.73Å; M276-A300 HydrophobicContact SD-CB 4.39Å; L279-A300 HydrophobicContact CD2-CB 4.28Å; L296-A300 VanDerWaalsContact O-CB 3.26Å; L296-A300 WeakPolarHBondContact O-CB 3.22Å; L296-A300 PolarHBondContact O-N 3.33Å; Y297-A300 PolarHBondContact O-N 3.49Å; Q298-A300 VanDerWaalsContact C-N 3.35Å; Q298-A300 PolarHBondContact O-N 3Å; A300-Q304 PolarHBondContact O-N 3.39Å; A300-Q304 PolarHBondContact O-NE2 3.1Å
301L87.8Confident71.5Confident70 Ų7086.5 Ų86.537%0.36649%0.49SS..Hα-helixtrans-73.2-43.6172.3-74.7175.3000111.8M276 Y297 Q298 L299 D303 Q304 A305M276-L301 HydrophobicContact CE-CD2 3.76Å; M276-L301 HydrophobicContact CE-CG 3.91Å; Y297-L301 HydrophobicContact CD1-CD1 3.84Å; Y297-L301 HydrophobicContact CD1-CG 4.42Å; Y297-L301 HydrophobicContact CE1-CD1 3.51Å; Y297-L301 HydrophobicContact CE1-CG 4.17Å; Y297-L301 WeakPolarHBondContact O-CG 3.47Å; Y297-L301 PolarHBondContact O-N 3.4Å; Q298-L301 PolarHBondContact O-N 3.05Å; L299-L301 VanDerWaalsContact C-N 3.33Å; L299-L301 PolarHBondContact O-N 3.48Å; L301-D303 VanDerWaalsContact C-N 3.27Å; L301-D303 PolarHBondContact O-N 3.33Å; L301-Q304 PolarHBondContact O-N 2.91Å; L301-A305 WeakPolarHBondContact O-CB 3.35Å; L301-A305 PolarHBondContact O-N 3.2Å
302R83.7Confident69.3Low174 Ų17493.8 Ų93.866%0.65751%0.507SS*.Hα-helixtrans-60.5-39.3176.5-70.9178.9-174.5-167.31112Q298 L299 Q304 A305 G306Q298-R302 WeakPolarHBondContact O-CG 3.44Å; Q298-R302 PolarHBondContact O-N 3.28Å; L299-R302 PolarHBondContact O-N 2.94Å; R302-Q304 VanDerWaalsContact C-N 3.34Å; R302-Q304 PolarHBondContact O-N 3.41Å; R302-A305 PolarHBondContact O-N 3.22Å; R302-G306 PolarHBondContact O-N 3.45Å
303D80.8Confident66.9Low49 Ų4997.9 Ų97.926%0.26253%0.526SS..Hα-helixtrans-61.3-40.7176.3-161.773.5000112.3K275 L299 L301 G307K275-D303 HydrophobicContact CB-CB 4.48Å; K275-D303 HydrophobicContact CD-CB 3.91Å; K275-D303 WeakPolarHBondContact CE-OD1 3.44Å; K275-D303 IonicContact NZ-OD1 2.75Å; K275-D303 PolarHBondContact NZ-OD1 3.48Å; L299-D303 WeakPolarHBondContact O-CB 3.48Å; L299-D303 PolarHBondContact O-N 2.89Å; L299-D303 VanDerWaalsContact O-N 3.1Å; L301-D303 VanDerWaalsContact C-N 3.27Å; L301-D303 PolarHBondContact O-N 3.33Å; D303-G307 PolarHBondContact O-N 3.49Å
304Q77.6Confident64.7Low92 Ų92102.6 Ų102.643%0.4355%0.549SS..Hα-helixtrans-72.4-39.5174.5-79.7174.494.700113M276 A300 L301 R302 G307M276-Q304 VanDerWaalsContact CG-NE2 3.31Å; A300-Q304 PolarHBondContact O-N 3.39Å; A300-Q304 PolarHBondContact O-NE2 3.1Å; L301-Q304 PolarHBondContact O-N 2.91Å; R302-Q304 VanDerWaalsContact C-N 3.34Å; R302-Q304 PolarHBondContact O-N 3.41Å; Q304-G307 PolarHBondContact O-N 3.29Å
305A63.5Low62.4Low71 Ų71101.7 Ų101.759%0.58756%0.555SS**Hα-helixtrans-70-32179.900000112.6L301 R302 G307L301-A305 WeakPolarHBondContact O-CB 3.35Å; L301-A305 PolarHBondContact O-N 3.2Å; R302-A305 PolarHBondContact O-N 3.22Å; A305-G307 VanDerWaalsContact C-N 3.28Å
306G56.2Low60Low68 Ų68104.9 Ų104.970%0.70156%0.563SS**THydrogen-bonded Turntrans-77.1-10.8174.300000114.4R302R302-G306 PolarHBondContact O-N 3.45Å
307G51.4Low57.5Low57 Ų57107 Ų10759%0.58859%0.591SS**THydrogen-bonded Turntrans-88.82.5176.900000114.7D303 Q304 A305 P309D303-G307 PolarHBondContact O-N 3.49Å; Q304-G307 PolarHBondContact O-N 3.29Å; A305-G307 VanDerWaalsContact C-N 3.28Å; G307-P309 WeakPolarHBondContact O-CD 3.41Å
308V37.6Very low55.2Low105 Ų105109.2 Ų109.264%0.63661%0.612SS**SBendtrans-65120.9169-178.10000107.2R310V308-R310 PolarHBondContact O-N 3.03Å
309P37.7Very low52.9Low108 Ų108113 Ų11370%0.70163%0.63SS**  trans-57.7120.5173.8-13.425.5000106.6G307 S311G307-P309 WeakPolarHBondContact O-CD 3.41Å; P309-S311 VanDerWaalsContact C-N 3.25Å; P309-S311 PolarHBondContact O-N 3.13Å
310R37.3Very low50.5Low248 Ų248115 Ų11594%0.93665%0.649SS**  trans-55.4102.6162.6-98.6178.7161.5153.1-5.1105.6V308 R312V308-R310 PolarHBondContact O-N 3.03Å; R310-R312 PolarHBondContact O-N 2.78Å; R310-R312 VanDerWaalsContact O-N 3.13Å
311S35.3Very low48Very low103 Ų103124.9 Ų124.972%0.7269%0.692SS**  trans-46122.9171.116.50000107.1P309 V313P309-S311 VanDerWaalsContact C-N 3.25Å; P309-S311 PolarHBondContact O-N 3.13Å; S311-V313 VanDerWaalsContact C-N 3.35Å; S311-V313 PolarHBondContact O-N 2.81Å
312R39.1Very low45.4Very low220 Ų220125.7 Ų125.783%0.8371%0.709SS**  trans-45.5101.6170.6-175.1176.8-174.2165.10.3107.2R310 Q314R310-R312 PolarHBondContact O-N 2.78Å; R310-R312 VanDerWaalsContact O-N 3.13Å; R312-Q314 PolarHBondContact O-N 2.95Å
313V35Very low43.2Very low139 Ų139123.5 Ų123.584%0.84272%0.717SS**  trans-66.295166176.80000104.2S311 G315S311-V313 VanDerWaalsContact C-N 3.35Å; S311-V313 PolarHBondContact O-N 2.81Å; V313-G315 VanDerWaalsContact C-N 3.31Å; V313-G315 PolarHBondContact O-N 2.83Å
314Q35.4Very low41.1Very low154 Ų154126.9 Ų126.972%0.7275%0.745SS**  trans-65.6100.5172-151.8147.840.400105.1R312 K316R312-Q314 PolarHBondContact O-N 2.95Å; Q314-K316 PolarHBondContact O-N 2.94Å
315G34.8Very low39.3Very low66 Ų66131.2 Ų131.268%0.6877%0.765SS**  trans-53.7111.4172.800000108.1V313 G317V313-G315 VanDerWaalsContact C-N 3.31Å; V313-G315 PolarHBondContact O-N 2.83Å; G315-G317 VanDerWaalsContact C-N 3.31Å; G315-G317 PolarHBondContact O-N 2.99Å
316K35.4Very low38.1Very low200 Ų200137.7 Ų137.787%0.8778%0.78SS**  trans-61.199.2163.3-87.6-178.7170179.90106.7Q314 V318Q314-K316 PolarHBondContact O-N 2.94Å; K316-V318 PolarHBondContact O-N 3.19Å; K316-V318 VanDerWaalsContact O-N 3.14Å
317G33.1Very low37.2Very low69 Ų69140 Ų14071%0.71179%0.786SS**  trans-62.6109.3164.800000108.5G315 H319G315-G317 VanDerWaalsContact C-N 3.31Å; G315-G317 PolarHBondContact O-N 2.99Å; G317-H319 PolarHBondContact O-N 3.39Å
318V37.6Very low36.6Very low128 Ų128142.4 Ų142.478%0.77679%0.793SS**  trans-71.5101.1165.9176.10000106.4K316 S320K316-V318 PolarHBondContact O-N 3.19Å; K316-V318 VanDerWaalsContact O-N 3.14Å; V318-S320 PolarHBondContact O-N 3.14Å
319H38.1Very low36.6Very low187 Ų187144.9 Ų144.987%0.86680%0.803SS**  trans-85.597.3165.8-99.1-62.1000109.1G317 K321G317-H319 PolarHBondContact O-N 3.39Å; H319-K321 PolarHBondContact O-N 3.43Å
320S35.9Very low36.7Very low108 Ų108149.9 Ų149.976%0.75583%0.831SS**  trans-68.7115.4161.4-48.80000108.5V318V318-S320 PolarHBondContact O-N 3.14Å
321K34.2Very low36.7Very low206 Ų206145 Ų14590%0.89683%0.826SS**  trans-103.6110.4172.4-152.2175.1-173.6179.90108.3H319H319-K321 PolarHBondContact O-N 3.43Å
322A34.5Very low36.8Very low87 Ų87147.2 Ų147.272%0.71983%0.831SS**  trans-70.5151.4171.500000110.9
323P37.4Very low36.7Very low128 Ų128143.2 Ų143.283%0.83183%0.831SS**  trans-84.4131.2178.732.8-29.6000110.6
324S35.3Very low36.8Very low121 Ų121143.4 Ų143.485%0.84683%0.831SS**  trans-93.4112.3168.7-159.80000108.6
325Q39.7Very low36.8Very low183 Ų183142.8 Ų142.886%0.85584%0.838SS**  trans-62.3138.9162.1-73.1174.9-56.900109.5
326K39.1Very low37Very low206 Ų206147.9 Ų147.990%0.89685%0.848SS**  trans-142.2118.2149.3-103.1-173.8179.8-175.10109
327S37.7Very low37.1Very low118 Ų118144.1 Ų144.183%0.82585%0.847SS**  trans-64.8154.4171.2-65.30000112.3
328S39.6Very low37.4Very low106 Ų106149.9 Ų149.974%0.74186%0.857SS**  trans-39.8148.5168.7-48.40000115.9
329N36.1Very low37.4Very low157 Ų157151.8 Ų151.884%0.8486%0.864SS**  -170.2138.8117.2-101.8-7.1000113.2
330V41.1Very low37.3Very low214 Ų214148.5 Ų148.5100%1.29786%0.864SS**  trans740169.3-161.10000117.6

Retrieved 330 of 330 residues in 54.5 ms (Link to these results)