A0A096LUP8_POEFO Loading...

Growth factor independent 1A transcription repressor b

AlphaFold DB , UniProt , Accession A0A096LUP8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 391 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
1M29.2Very low35.6Very low238 Ų238177.1 Ų177.1100%1.17288%0.882SS**  0142.20-73.2-57.8176.800109
2P42.5Very low35.1Very low116 Ų116170.8 Ų170.875%0.75388%0.878SS**  trans-100.5158.1-146.436.8-35.5000115.1
3R34.6Very low35Very low239 Ų239171.8 Ų171.890%0.90288%0.876SS**  trans-110.8113.4157.5-89.9-177.8166.5159.7-3109.2
4S34Very low34.7Very low118 Ų118167.6 Ų167.683%0.82587%0.87SS**  trans-75.1132.917437.30000110.8
5F34.2Very low34.2Very low199 Ų199171.4 Ų171.487%0.87387%0.871SS**  trans-88.4118.8173.1-83.1-93.5000110.6V7F5-V7 PolarHBondContact O-N 2.91Å
6L37.2Very low34.3Very low170 Ų170172.1 Ų172.189%0.8987%0.869SS**  trans-74.8107168-90.1159.7000110
7V37.9Very low34.2Very low129 Ų129172.5 Ų172.578%0.78287%0.867SS**  trans-80.9117.2170.9177.70000109.5F5 S9F5-V7 PolarHBondContact O-N 2.91Å; V7-S9 PolarHBondContact O-N 3Å
8K34Very low34.2Very low204 Ų204169.7 Ų169.789%0.88786%0.863SS**  trans-84.1106.9173.3-72.8177.1176.21760110.4
9S36.1Very low34.3Very low110 Ų110172.4 Ų172.477%0.76986%0.861SS**  trans-73.9126.4165.4-69.10000111.1V7V7-S9 PolarHBondContact O-N 3Å
10K36.9Very low34.3Very low212 Ų212168.2 Ų168.292%0.92285%0.845SS**  trans165.6107.7142.5-92.5161.1-174.3-1770110.9
11K34.8Very low34.5Very low213 Ų213166.6 Ų166.693%0.92684%0.839SS**  trans-147.3129147.9-143170.1-172.8178.30108.4
12A29.9Very low34.8Very low101 Ų101162.2 Ų162.284%0.83582%0.815SS**PPolyproline II helixtrans-78.2140.7-170.400000111.5
13H34.1Very low34.5Very low185 Ų185161 Ų16186%0.85680%0.803SS**PPolyproline II helixtrans-75.7129.7161.8-94.3-92000109.3
14S31Very low34.5Very low112 Ų112155.2 Ų155.278%0.78379%0.789SS**PPolyproline II helixtrans-64.9132.2172.1-167.30000110.1H16S14-H16 PolarHBondContact O-N 3.3Å
15Y26.4Very low34.7Very low225 Ų225156.8 Ų156.888%0.88278%0.778SS**PPolyproline II helixtrans-66.1120.6169.3-93-109.7000109.4
16H36Very low34.8Very low183 Ų183151.3 Ų151.385%0.84777%0.765SS**PPolyproline II helixtrans-85129.9154-92.7-72.2000108.4S14S14-H16 PolarHBondContact O-N 3.3Å
17Q32.8Very low34.9Very low178 Ų178151.6 Ų151.683%0.83275%0.754SS**PPolyproline II helixtrans-61147176.6-73.3169.2-62.200111.3R19Q17-R19 PolarHBondContact O-N 3.04Å
18P33.4Very low35Very low122 Ų122150 Ų15079%0.79274%0.74SS**PPolyproline II helixtrans-65.4129.8170.728.4-33.3000109.9
19R36Very low35Very low222 Ų222144.6 Ų144.684%0.83872%0.721SS**PPolyproline II helixtrans-69.7137.4168.7-66.9-174.9-179.8-176.5-1.6109.1Q17Q17-R19 PolarHBondContact O-N 3.04Å
20T34.1Very low35.1Very low87 Ų87143.9 Ų143.953%0.53471%0.712SS.*PPolyproline II helixtrans-74.3154.2178.445.10000111E22T20-E22 PolarHBondContact O-N 3.25Å
21L38.7Very low35.2Very low136 Ų136139 Ų13971%0.71270%0.695SS**THydrogen-bonded Turntrans-67.3-5.8-175.2-15590.4000113.8Y25L21-Y25 HydrophobicContact CD2-CE2 4.32Å; L21-Y25 WeakPolarHBondContact O-CD2 3.34Å
22E37.2Very low35.3Very low145 Ų145133.6 Ų133.668%0.67868%0.676SS**THydrogen-bonded Turntrans-87.5-25-170.3-63173.4140.700112.5T20 D24 Y25T20-E22 PolarHBondContact O-N 3.25Å; E22-D24 VanDerWaalsContact C-N 3.33Å; E22-D24 PolarHBondContact O-N 3.28Å; E22-Y25 PolarHBondContact O-N 2.84Å
23D34.2Very low35.7Very low92 Ų92131.8 Ų131.849%0.49266%0.661SS.*THydrogen-bonded Turntrans-68-29.2-179.6-75.9-17.9000113.3
24D36.4Very low35.8Very low116 Ų116130.5 Ų130.562%0.6266%0.655SS**THydrogen-bonded Turntrans-78.4-26.4-178.7-77.9-25.4000112.7E22E22-D24 VanDerWaalsContact C-N 3.33Å; E22-D24 PolarHBondContact O-N 3.28Å
25Y36.8Very low36.3Very low152 Ų152130.9 Ų130.960%0.59665%0.647SS**THydrogen-bonded Turntrans-73.3-36.5176.5-77.4-83.8000112.1L21 E22 R27 L28L21-Y25 HydrophobicContact CD2-CE2 4.32Å; L21-Y25 WeakPolarHBondContact O-CD2 3.34Å; E22-Y25 PolarHBondContact O-N 2.84Å; Y25-R27 PolarHBondContact O-N 2.8Å; Y25-R27 VanDerWaalsContact O-N 3.13Å; Y25-L28 PolarHBondContact O-N 2.96Å
26S37.3Very low36.7Very low84 Ų84125.3 Ų125.359%0.58764%0.64SS**Hα-helixtrans-61.3-22.3177.7-60.80000113.8T30S26-T30 PolarHBondContact O-OG1 3.28Å
27R39.7Very low36.6Very low176 Ų176120.9 Ų120.966%0.66463%0.629SS**Hα-helixtrans-84-19.3174.2-83.3-174.9155.2110.91114.5Y25 I31Y25-R27 PolarHBondContact O-N 2.8Å; Y25-R27 VanDerWaalsContact O-N 3.13Å; R27-I31 WeakPolarHBondContact O-CG1 3.37Å
28L39.7Very low36.8Very low95 Ų95119.5 Ų119.550%0.49763%0.628SS.*Hα-helixtrans-79.9-35.7-179.4-77171.3000112.3Y25 T30 I31 L32Y25-L28 PolarHBondContact O-N 2.96Å; L28-T30 VanDerWaalsContact C-N 3.34Å; L28-T30 PolarHBondContact O-N 3.44Å; L28-I31 PolarHBondContact O-N 3.2Å; L28-L32 PolarHBondContact O-N 3.26Å; L28-L32 VanDerWaalsContact O-N 3.1Å
29D32.8Very low37.2Very low90 Ų90119.2 Ų119.248%0.48162%0.624SS.*Hα-helixtrans-68.5-31.9177.4-76.9-31.4000112.3I31 L32 A33 R210D29-I31 VanDerWaalsContact C-N 3.31Å; D29-I31 PolarHBondContact O-N 3.41Å; D29-L32 PolarHBondContact O-N 3.17Å; D29-A33 WeakPolarHBondContact O-CB 3.15Å; D29-A33 PolarHBondContact O-N 3.25Å; D29-R210 IonicContact OD1-NH2 2.78Å; D29-R210 PolarHBondContact OD1-NH2 2.91Å; D29-R210 VanDerWaalsContact OD1-NH2 3.15Å
30T39.8Very low37.3Very low95 Ų95116.3 Ų116.358%0.58363%0.625SS**Hα-helixtrans-64.7-34.6173.2-33.80000112.5S26 L28S26-T30 PolarHBondContact O-OG1 3.28Å; L28-T30 VanDerWaalsContact C-N 3.34Å; L28-T30 PolarHBondContact O-N 3.44Å
31I37.5Very low37.1Very low110 Ų110122 Ų12256%0.56464%0.642SS**Hα-helixtrans-78.1-34-179.4-64.7170.6000111R27 L28 D29R27-I31 WeakPolarHBondContact O-CG1 3.37Å; L28-I31 PolarHBondContact O-N 3.2Å; D29-I31 VanDerWaalsContact C-N 3.31Å; D29-I31 PolarHBondContact O-N 3.41Å
32L38.3Very low36.8Very low99 Ų99123.5 Ų123.552%0.51865%0.65SS.*Hα-helixtrans-73-34.9175.1-75.1164.7000112.4L28 D29 H34 I35L28-L32 PolarHBondContact O-N 3.26Å; L28-L32 VanDerWaalsContact O-N 3.1Å; D29-L32 PolarHBondContact O-N 3.17Å; L32-H34 VanDerWaalsContact C-N 3.29Å; L32-H34 PolarHBondContact O-N 3.12Å; L32-I35 PolarHBondContact O-N 3.02Å
33A37.1Very low36.5Very low63 Ų63121.3 Ų121.352%0.52165%0.649SS.*Hα-helixtrans-63-31.5177.800000113.7D29 I35D29-A33 WeakPolarHBondContact O-CB 3.15Å; D29-A33 PolarHBondContact O-N 3.25Å; A33-I35 VanDerWaalsContact C-N 3.3Å; A33-I35 PolarHBondContact O-N 3.14Å
34H36.6Very low36.7Very low159 Ų159125.9 Ų125.974%0.73667%0.667SS**THydrogen-bonded Turntrans-77.4-6.3179.1-99.79.4000115.1L32L32-H34 VanDerWaalsContact C-N 3.29Å; L32-H34 PolarHBondContact O-N 3.12Å
35I41.3Very low36.6Very low120 Ų120128.7 Ų128.762%0.61568%0.676SS**THydrogen-bonded Turntrans-94.3-17.7-178.5-61.3173.7000111.8L32 A33L32-I35 PolarHBondContact O-N 3.02Å; A33-I35 VanDerWaalsContact C-N 3.3Å; A33-I35 PolarHBondContact O-N 3.14Å
36C35.2Very low36.4Very low108 Ų108129.2 Ų129.273%0.7369%0.689SS**SBendtrans-101.919.7-176-65.20000114.5
37S33.8Very low36.2Very low89 Ų89130 Ų13062%0.62270%0.701SS**SBendtrans-105-12-179.9-58.20000115.1
38D37.8Very low35.7Very low150 Ų150129 Ų12980%0.80271%0.709SS**SBendtrans-107.614.2-170.9-74.1-30.9000114.5
39T40.4Very low35.3Very low116 Ų116131.7 Ų131.771%0.71272%0.723SS**  trans-123.952.2179.162.20000113.5
40D39.3Very low35.1Very low160 Ų160132.9 Ų132.986%0.85674%0.739SS**  trans-143.577.1162.2-91.9-43.1000110.9
41K29.9Very low34.6Very low207 Ų207132.5 Ų132.590%0.975%0.745SS**  trans-146.292.8157.4-79.4-157.7176.4-1700109.9
42L31.3Very low34.2Very low167 Ų167135.2 Ų135.287%0.87476%0.76SS**PPolyproline II helixtrans-81.3134.7156.3-65.9171.6000108.2
43P31.1Very low33.7Very low100 Ų100134.2 Ų134.265%0.64976%0.762SS**PPolyproline II helixtrans-81137.3151151000109.5
44E39.2Very low33.3Very low187 Ų187142.1 Ų142.187%0.87478%0.78SS**PPolyproline II helixtrans-74.9137.5161.8-61.7174.3139.100108.3
45E33.1Very low32.8Very low176 Ų176137.7 Ų137.782%0.82278%0.777SS**  trans-135.399.1172.1-67.4-171-160.200109.1
46D34Very low32Very low162 Ų162142.1 Ų142.187%0.86679%0.792SS**  trans-70.1136.2171.3-63-61.3000111
47A32.3Very low31.8Very low101 Ų101142 Ų14284%0.83579%0.793SS**  trans-150.799.3169.600000111.7
48D28.6Very low32.2Very low154 Ų154143.4 Ų143.482%0.82480%0.799SS**  trans-76.4123177.3-90.7-45.8000113.7
49L32.5Very low31.7Very low152 Ų152140.4 Ų140.480%0.79680%0.796SS**  trans40.9113.3131-57.4176.8000121.8
50S28.4Very low31.1Very low116 Ų116140.8 Ų140.881%0.81180%0.803SS**  -178.1121.9120.131.10000108.3
51A29.8Very low30.5Very low86 Ų86142 Ų14271%0.71180%0.803SS**  70.390.852.200000113.7
52D27.4Very low31.2Very low167 Ų167137.8 Ų137.889%0.89380%0.797SS**  -173.7-176.6106.2-100.4-30.2000114.1
53S28.7Very low30.9Very low78 Ų78133.3 Ų133.355%0.54579%0.791SS.*  trans-106.5-175-144.553.60000117.6
54Y28.9Very low30.7Very low229 Ų229138.6 Ų138.690%0.89881%0.807SS**  trans77142.2177.4-47.9-79.3000116.5
55G25.5Very low30.2Very low66 Ų66134.5 Ų134.568%0.6881%0.805SS**  cis165.3148.7-7.800000112.4
56F25.9Very low29.9Very low214 Ų214130.7 Ų130.794%0.93980%0.804SS**  trans65.7125.6164.2-87-106.6000122.6
57S29.9Very low29.5Very low105 Ų105129.9 Ų129.973%0.73480%0.8SS**  trans-90173.4140.9-61.70000108.7
58P42.4Very low29.2Very low118 Ų118134.9 Ų134.977%0.76680%0.803SS**  cis-146.2-178.115.343.8-23.6000118.1
59A26.7Very low29.2Very low88 Ų88132.7 Ų132.773%0.72780%0.8SS**  trans60.5129.3145.200000123.2
60S27.8Very low29.7Very low123 Ų123130.9 Ų130.986%0.8680%0.797SS**  152.3148.3122.9-66.80000115.4
61H26.9Very low29.7Very low186 Ų186137.3 Ų137.386%0.86180%0.803SS**  trans-73-171.3177.8-73.3-83.5000114.6
62P44.1Very low29.8Very low119 Ų119138.5 Ų138.577%0.77381%0.807SS**  cis-135.1170.7-32.728.5-8.4000115.4
63G25.6Very low30.5Very low73 Ų73136 Ų13675%0.75380%0.8SS**  trans76.1130.4130.200000122.1
64E27.4Very low30.5Very low210 Ų210139.9 Ų139.998%0.98181%0.813SS**  trans-167.6164.8130.7-111.1-173.7135.700111.1
65A27.4Very low30.4Very low101 Ų101133.7 Ų133.784%0.83580%0.804SS**  trans-141.5139.6-171.800000113.6
66A28Very low30.3Very low96 Ų96136.8 Ų136.879%0.79381%0.814SS**  trans-162.5110.1158.800000105.7
67D25.3Very low30.3Very low146 Ų146130.5 Ų130.578%0.78180%0.801SS**  66.198.561.5-156.50.6000113.4
68F26.5Very low30.2Very low206 Ų206132.8 Ų132.890%0.90481%0.805SS**  trans-158.4124.4153.5-112.3-72.7000111.3
69S28.6Very low29.7Very low108 Ų108132.4 Ų132.476%0.75581%0.805SS**  trans-158.3169.3166.2-88.90000107.2
70P43.3Very low29.8Very low114 Ų114135.9 Ų135.974%0.7481%0.811SS**  cis-126.4176.1-3.639.2-24.9000113.4
71R28.1Very low29.9Very low250 Ų250136.6 Ų136.694%0.94381%0.814SS**  trans-155.4121.3147.5-111.5173.5-163.8-121.13.7112.4
72S30.6Very low29.9Very low112 Ų112131.9 Ų131.978%0.78381%0.807SS**  trans-123.9176.9164.3-580000106.5
73P43.5Very low29.3Very low115 Ų115137.8 Ų137.875%0.74781%0.814SS**  cis-137.5-167.77.642.8-23.6000114.6
74L28Very low29.5Very low158 Ų158139.8 Ų139.883%0.82782%0.817SS**  trans147.492.9151.6-81.5172.3000107.6
75S26.9Very low29.7Very low99 Ų99133.2 Ų133.269%0.69280%0.798SS**  81.699.65879.40000115.8
76C24.5Very low30Very low132 Ų132135.6 Ų135.689%0.89280%0.797SS**  trans-177106.3143.3-97.80000106.1
77A24.9Very low30Very low82 Ų82140.7 Ų140.768%0.67880%0.797SS**  82.9120.966.500000113.4
78D27.1Very low30.4Very low152 Ų152142.2 Ų142.281%0.81380%0.799SS**  trans59.8103.6156.5-51.3-33.6000121.3
79S31.9Very low30.7Very low111 Ų111138.2 Ų138.278%0.77679%0.788SS**  174.6126.799.2-790000115
80L30.3Very low30.8Very low161 Ų161141.6 Ų141.684%0.84379%0.789SS**  trans63.465.3152.2-55.3176.9000119.4A82L80-A82 PolarHBondContact O-N 3.39Å
81C28.5Very low30.3Very low138 Ų138147.7 Ų147.793%0.93280%0.797SS**  trans-7072.6147.2-87.80000111R83C81-R83 PolarHBondContact O-N 3.1Å
82A26.6Very low30.5Very low86 Ų86146.1 Ų146.171%0.71179%0.791SS**  trans-68.5118.317200000110.5L80 S84L80-A82 PolarHBondContact O-N 3.39Å; A82-S84 PolarHBondContact O-N 3.5Å
83R32.4Very low30.6Very low243 Ų243145.9 Ų145.992%0.91779%0.787SS**  trans-59.4103.8169.9-72.5160.355.7163.5-3109.6C81 A85C81-R83 PolarHBondContact O-N 3.1Å; R83-A85 PolarHBondContact O-N 3.4Å
84S29.3Very low30Very low116 Ų116146.5 Ų146.581%0.81179%0.792SS**  trans-84.789.916370.60000109.4A82A82-S84 PolarHBondContact O-N 3.5Å
85A33Very low30.2Very low71 Ų71144.4 Ų144.459%0.58779%0.79SS**  trans-66-156.4146.500000109R83R83-A85 PolarHBondContact O-N 3.4Å
86D32.1Very low30.4Very low151 Ų151145.6 Ų145.681%0.80780%0.795SS**  trans74.269.2167.2-40.3-27.7000115.7
87Y28.6Very low30.6Very low203 Ų203145.1 Ų145.180%0.79679%0.793SS**SBendtrans-135.644139.6-159.3-98.9000111.7
88E34.3Very low30.7Very low178 Ų178149.9 Ų149.983%0.83280%0.804SS**SBendtrans-135.852.5172.7-72.2-61.1154.600109.9
89D31.7Very low30.7Very low123 Ų123148 Ų14866%0.65880%0.802SS**  trans-154.182.6168.8-110.3-32.1000111.5
90F31.9Very low30.8Very low179 Ų179148 Ų14879%0.78580%0.8SS**SBendtrans-136.29.4168.3-119.8-84.1000113.4
91W32.8Very low30.9Very low241 Ų241147.3 Ų147.391%0.91380%0.802SS**  trans-145.260.2178.6-70.5107.4000112.2
92R31.3Very low30.7Very low217 Ų217147.8 Ų147.882%0.81980%0.795SS**  trans-129.7113.8161.2-172.3179.3-82.9-1272.1108.5
93P32.1Very low30.8Very low108 Ų108148.3 Ų148.370%0.70179%0.794SS**PPolyproline II helixtrans-72.9149.2172.930.7-33000110.1
94P32.5Very low30.6Very low128 Ų128145.5 Ų145.583%0.83179%0.791SS**PPolyproline II helixtrans-76.4132.6177.730.7-33.3000111.3
95S30.6Very low30.6Very low113 Ų113150 Ų15079%0.7980%0.796SS**PPolyproline II helixtrans-82141.6167.8-56.10000110.3
96P31.9Very low30.3Very low125 Ų125151.3 Ų151.381%0.81280%0.801SS**PPolyproline II helixtrans-80.2132.3178.731.8-33.2000111.7
97S28.2Very low30.1Very low121 Ų121152.4 Ų152.485%0.84681%0.806SS**PPolyproline II helixtrans-98.6120.8164.7560000109.7
98M26.5Very low30.1Very low182 Ų182147.8 Ų147.890%0.89780%0.803SS**  trans-109.1135.4167.8-71.2-151.476.700110.8
99S27.3Very low30.3Very low112 Ų112144.8 Ų144.878%0.78380%0.799SS**  trans-161167.615281.20000107.3
100P35.7Very low30.1Very low111 Ų111146.2 Ų146.272%0.72181%0.806SS**  -114.2169.5-119.534.3-19.4000114.6
101V30.7Very low29.9Very low148 Ų148144 Ų14490%0.89781%0.807SS**  trans-143.1138.1164.2-134.10000110.5
102D25.6Very low29.7Very low147 Ų147136 Ų13679%0.78680%0.799SS**  trans-86.1152-166.9-68.6-73.9000115.9
103S29.3Very low29.6Very low97 Ų97134.3 Ų134.368%0.67880%0.8SS**  trans51.3111.5137-57.90000122.8
104E28.2Very low29.5Very low184 Ų184136.2 Ų136.286%0.8681%0.81SS**  54.4118.7125-53.1-156.4118.100121.7
105K28.6Very low29.4Very low211 Ų211139.2 Ų139.292%0.91781%0.813SS**  -157135.7116.4-146.7165.2-175.11730113.7
106S25.9Very low29.1Very low99 Ų99138.7 Ų138.769%0.69281%0.81SS**  trans-72.2153.4179.4-44.80000114.1
107L29.1Very low28.9Very low173 Ų173142.8 Ų142.891%0.90682%0.815SS**  175.8115.1120.6-92.7156.4000112.4
108S28.5Very low28.9Very low106 Ų106143.3 Ų143.374%0.74181%0.813SS**  trans-86.9173.3155.7-34.60000108.7
109P37.8Very low29.1Very low115 Ų115140.9 Ų140.975%0.74781%0.808SS**  cis-131-161.228.728.8-1000112.3
110L27.3Very low29.3Very low153 Ų153141 Ų14180%0.80181%0.807SS**  cis-143.2155.318.3-79.8165.3000113.7
111V28.6Very low28.9Very low132 Ų132145.5 Ų145.580%0.882%0.815SS**  trans18.9129.6143.1-166.20000120.8
112G28Very low28.9Very low73 Ų73149.3 Ų149.375%0.75381%0.814SS**  trans-177.690159.900000111.6
113E29.2Very low29.2Very low182 Ų182147.8 Ų147.885%0.8581%0.812SS**  trans-73.2136.8179.4-66.8172.6103.100112.4
114T30.1Very low29.2Very low148 Ų148154.2 Ų154.291%0.90882%0.823SS**  trans-168.7153.3140.611.30000110.3
115Q31.3Very low29.2Very low191 Ų191150 Ų15089%0.89382%0.819SS**  trans-83.7152.5-158.2-67.1171.3-4.200114.7
116S23.8Very low29Very low103 Ų103150 Ų15072%0.7281%0.813SS**  trans-89.6142-176.549.30000113.6
117F27.6Very low29.3Very low210 Ų210150.3 Ų150.392%0.92182%0.815SS**  trans-13998.3156.5-96.5-83.4000109.4
118T27.1Very low29.3Very low132 Ų132146.3 Ų146.381%0.8180%0.802SS**  trans-127.2120.2173-49.10000109.4
119V30.8Very low29.5Very low131 Ų131151.6 Ų151.679%0.79481%0.807SS**  trans-73.2133-178-175.60000110F121V119-F121 PolarHBondContact O-N 2.9Å
120P31.9Very low29.3Very low115 Ų115151.9 Ų151.975%0.74781%0.809SS**  trans-76.4111.2-173.328.6-34.3000112.9R122P120-R122 PolarHBondContact O-N 2.89Å
121F27.3Very low29.4Very low205 Ų205148 Ų14890%0.89981%0.806SS**  trans-65.3117.4158.9-124.5-102.4000108.7V119 P123V119-F121 PolarHBondContact O-N 2.9Å; F121-P123 WeakPolarHBondContact O-CD 3.28Å
122R30Very low29.9Very low229 Ų229148.4 Ų148.486%0.86481%0.812SS**  trans-92.9113.3172.7-99.6-173.5166.8-158.9-3110.6P120P120-R122 PolarHBondContact O-N 2.89Å
123P32.3Very low29.9Very low115 Ų115148.4 Ų148.475%0.74781%0.812SS**PPolyproline II helixtrans-76.8151.9171.730.3-32000111.7F121 A125F121-P123 WeakPolarHBondContact O-CD 3.28Å; P123-A125 PolarHBondContact O-N 3.16Å
124Y29.2Very low30.4Very low232 Ų232145.9 Ų145.991%0.9181%0.811SS**PPolyproline II helixtrans-67.2116.9176.7-82.7-106.5000111.1
125A28.1Very low30.3Very low94 Ų94147.6 Ų147.678%0.77781%0.809SS**PPolyproline II helixtrans-82.7125.4170.600000110.6P123P123-A125 PolarHBondContact O-N 3.16Å
126W25.6Very low30.1Very low212 Ų212146.8 Ų146.880%0.80381%0.809SS**  trans-98.398.9171.753-77.7000108.3S128W126-S128 WeakPolarHBondContact CZ3-OG 3.36Å; W126-S128 PolarHBondContact O-N 2.9Å
127S32.3Very low30.2Very low105 Ų105150 Ų15073%0.73481%0.813SS**  trans-71.3115179.6-58.60000110.9
128S28.6Very low30.2Very low89 Ų89145.6 Ų145.662%0.62280%0.803SS**PPolyproline II helixtrans-80.2135.4167.2-66.60000110.1W126W126-S128 WeakPolarHBondContact CZ3-OG 3.36Å; W126-S128 PolarHBondContact O-N 2.9Å
129Y32.3Very low30.2Very low218 Ų218147.9 Ų147.986%0.85581%0.805SS**PPolyproline II helixtrans-97.2135.6168.4-81-86.6000110.2
130P34.4Very low30.1Very low120 Ų120153.1 Ų153.178%0.77981%0.81SS**PPolyproline II helixtrans-71.8153.6164.4-11.127.5000111.5
131G28.2Very low30Very low72 Ų72153.4 Ų153.474%0.74281%0.812SS**PPolyproline II helixtrans-79.5168.317200000113.4
132P40.7Very low30Very low141 Ų141150.3 Ų150.392%0.91681%0.809SS**PPolyproline II helixtrans-99.7156.2-168.437.8-34.9000115
133G26.3Very low29.9Very low73 Ų73143.6 Ų143.675%0.75380%0.803SS**  trans150.2148.7158.400000113.5
134P41.4Very low29.7Very low129 Ų129148 Ų14884%0.83881%0.814SS**  cis-120.9163.1-24.637.6-23.1000114.2
135E28.2Very low29.7Very low184 Ų184147.4 Ų147.486%0.8681%0.81SS**  trans-11.8133.2157.5-166.7164.5-16200120.3
136L26.8Very low29.7Very low173 Ų173148.8 Ų148.891%0.90681%0.814SS**  trans-156.4140.1146.3-111.7167.9000110.5
137E26.1Very low29.7Very low172 Ų172144.5 Ų144.580%0.80481%0.806SS**  trans-68.4158.9179.5-77.8175.185.600113.7
138V26.8Very low29.4Very low116 Ų116147.5 Ų147.570%0.70381%0.808SS**  166.2119117.9156.30000112.1
139Q27Very low29.7Very low181 Ų181149 Ų14985%0.84682%0.816SS**  trans59.3135.4149.5-64.1169.530.500123
140R28.5Very low29.4Very low240 Ų240142.2 Ų142.291%0.90681%0.812SS**  trans-80161.4164.6-65174168.1-178.5-4.3110.6
141P30.2Very low29Very low122 Ų122144.7 Ų144.779%0.79282%0.818SS**  -140.8149.4110.334.7-21000116.9
142V27.5Very low29.1Very low139 Ų139150.6 Ų150.684%0.84283%0.826SS**  trans26.8134.3144.7-1690000121.6
143A27.4Very low28.6Very low89 Ų89149.8 Ų149.874%0.73682%0.819SS**  trans-50.4153.4174.500000117.7
144Q28.4Very low28.8Very low206 Ų206154.4 Ų154.496%0.96383%0.826SS**  trans-138.6156.6141.3-114.4175.5-0.600111.6
145R28.3Very low28.2Very low221 Ų221154.5 Ų154.583%0.83482%0.824SS**  trans-123.4124.2-160.8177-173.4-176.3-172.72.1108.8
146S27.9Very low28.3Very low122 Ų122150.5 Ų150.585%0.85382%0.816SS**  trans-144.3119.8170.9-60.80000111.3
147L25.5Very low28.6Very low123 Ų123148.2 Ų148.264%0.64481%0.812SS**  trans-82.3164.8157.4-48.183.9000106.4
148H26.5Very low29Very low167 Ų167143.9 Ų143.977%0.77381%0.806SS**  cis-162.8-166.123.9-98.5-65.5000105.8
149P35.4Very low29.5Very low121 Ų121144.6 Ų144.679%0.78681%0.81SS**  cis-119.7-176-16.422.71000112.2
150G25Very low29.9Very low76 Ų76145 Ų14578%0.78481%0.814SS**  trans-81.1162-178.100000115.4
151L27.8Very low30.1Very low171 Ų171137.8 Ų137.890%0.89581%0.806SS**  trans-131.3116.1156.4-105.3161.6000106.4
152E29.5Very low30.5Very low196 Ų196139.4 Ų139.492%0.91681%0.807SS**  trans-73.4132.2179.9-61.2-178.513900109.7
153V31Very low30.8Very low125 Ų125143 Ų14376%0.75881%0.807SS**  trans-135.3113.4167.3-178.20000107.6T155V153-T155 PolarHBondContact O-N 3.23Å
154D28.7Very low31Very low169 Ų169144 Ų14490%0.90481%0.814SS**  trans-53.7118.1179.6-77.8-58.8000112
155T30.8Very low31.1Very low131 Ų131141.2 Ų141.280%0.80481%0.806SS**  trans-105.398.9169.541.80000109.7V153V153-T155 PolarHBondContact O-N 3.23Å
156S29.9Very low31.2Very low100 Ų100140.8 Ų140.870%0.69981%0.805SS**  trans-59.6126.7174.3-178.10000110.7A158S156-A158 PolarHBondContact O-N 3.09Å
157P33.2Very low31.3Very low125 Ų125140.9 Ų140.981%0.81281%0.805SS**SBendtrans-77.426.8-16830.9-36.8000115V159P157-V159 PolarHBondContact O-N 3.16Å
158A32.9Very low31.3Very low81 Ų81139.5 Ų139.567%0.66981%0.805SS**THydrogen-bonded Turntrans-85.2-0.3-162.500000117S156S156-A158 PolarHBondContact O-N 3.09Å
159V38Very low31.3Very low132 Ų132140.4 Ų140.480%0.881%0.809SS**THydrogen-bonded Turntrans-130.42.9-167.5-162.10000115.6P157P157-V159 PolarHBondContact O-N 3.16Å
160M36.1Very low31.2Very low190 Ų190139.6 Ų139.694%0.93680%0.804SS**SBendtrans-124.651178.5-74.1-67.9-80.200113.7
161A33.2Very low31.3Very low87 Ų87140.4 Ų140.472%0.71980%0.803SS**  trans-12720.3179.700000114.7
162L36.8Very low31.2Very low156 Ų156139 Ų13982%0.81780%0.801SS**SBendtrans-142.858.6-179-71.4177.7000113.6
163Y33.9Very low31.1Very low216 Ų216139.5 Ų139.585%0.84780%0.801SS**  trans-166.963.6152.9-88-60.2000111.3
164A31.6Very low30.9Very low108 Ų108138.4 Ų138.489%0.89381%0.805SS**  trans-96.489.5161.300000108
165D30.6Very low30.8Very low148 Ų148138.4 Ų138.479%0.79180%0.8SS**  trans-84141.9-178.7-152.3-7.8000111.7S167D165-S167 PolarHBondContact O-N 3.24Å
166R30.8Very low30.7Very low212 Ų212142.6 Ų142.680%0.880%0.8SS**  trans-96.190.8-161.7171.1174.1153.7-172.9-3.2109.7C168R166-C168 PolarHBondContact O-N 2.79Å
167S29.3Very low30.6Very low124 Ų124141.8 Ų141.887%0.86780%0.8SS**  trans-76.599.6174.9-650000111.4D165D165-S167 PolarHBondContact O-N 3.24Å
168C26.3Very low30.2Very low95 Ų95144 Ų14464%0.64280%0.804SS**  trans-94.8120.1165.2-65.70000110.2R166R166-C168 PolarHBondContact O-N 2.79Å
169H26.9Very low29.9Very low186 Ų186143.7 Ų143.786%0.86180%0.802SS**  trans-161168.7151.3-123.9-107.4000108.6
170P33.6Very low29.4Very low104 Ų104146.1 Ų146.168%0.67581%0.805SS**  -117.4-177.5-106.639-23.4000113.9
171A25.7Very low29Very low92 Ų92145 Ų14576%0.7680%0.797SS**  trans-58.6150.6-173.900000115.7
172V26.6Very low29.5Very low142 Ų142145.8 Ų145.886%0.86180%0.795SS**  trans-127.6130.8153.8-178.40000107.4
173F28.1Very low29Very low207 Ų207149.1 Ų149.191%0.90880%0.798SS**  trans-80.1138.7175.3-102.3-102.5000110.9
174A26.2Very low28.8Very low101 Ų101142.5 Ų142.584%0.83580%0.795SS**  trans-156.5143.7150.700000110.9
175E27.3Very low28.6Very low170 Ų170144 Ų14479%0.79479%0.788SS**  trans-70.8175.5177.7-72.6-168.2103.400113.7
176R29Very low28.5Very low218 Ų218148.2 Ų148.282%0.82380%0.795SS**  cis-179.1156.7-27177.5176.8-179.9173.20.3106.6
177A26Very low28.5Very low84 Ų84149.3 Ų149.369%0.69480%0.799SS**  trans75.9151.8169.800000115.4
178L26.3Very low28.8Very low170 Ų170154.1 Ų154.189%0.8980%0.798SS**  cis-130.3-179.412.5-83.7167.1000113.2
179A25.6Very low29Very low76 Ų76157.2 Ų157.263%0.62880%0.803SS**  trans-54.7165.1175.900000114
180E28.4Very low29.2Very low183 Ų183153.2 Ų153.286%0.85580%0.802SS**  cis-147.415749.9-70-85.1109.700114.2
181E27.1Very low28.9Very low165 Ų165152.5 Ų152.577%0.77181%0.805SS**  trans-85.5166.3164-88.7-76144.100109.3
182P42.8Very low29.1Very low105 Ų105153 Ų15368%0.68281%0.808SS**  -158.9173.450.744.8-22.6000121.8
183Y27.6Very low29.1Very low226 Ų226152.8 Ų152.889%0.88680%0.802SS**  trans78.3122.6155.6-92.6-79000119.5
184G28.4Very low29.2Very low76 Ų76151 Ų15178%0.78480%0.801SS**  trans169.521.5170.400000119.7
185D28.7Very low29.3Very low139 Ų139154.7 Ų154.774%0.74380%0.799SS**  trans10.2122.4165.2-155.6-0.5000121.3
186Y28.1Very low29.7Very low237 Ų237152.2 Ų152.293%0.92980%0.797SS**  trans-167.693137.3-104.3-68.7000110.6
187R31.8Very low29.9Very low235 Ų235151.2 Ų151.289%0.88780%0.802SS**  trans-143.9105.6175.3-135-173.5-167.7-171.85.9113.6
188R34.5Very low30Very low226 Ų226152.1 Ų152.185%0.85381%0.809SS**  trans-155141.3166.1-72.3-168.7179.4142.74.6108.5
189H30.6Very low30.2Very low160 Ų160147.4 Ų147.474%0.74180%0.802SS**  cis-148.1139.5-16.7-107.3-72.7000107.1
190A31.4Very low30.3Very low102 Ų102151.2 Ų151.284%0.84381%0.811SS**  trans-83.6119.2154.600000107.2
191A26.8Very low30.3Very low89 Ų89151.3 Ų151.374%0.73681%0.811SS**  trans-106.2101.1178.100000109.6
192A30.6Very low30.3Very low101 Ų101147 Ų14784%0.83581%0.811SS**  trans-82.2122.5154.400000107.3
193L27Very low29.7Very low138 Ų138152.4 Ų152.472%0.72382%0.824SS**  trans-119.8115.8165.4-73.8179.6000109.1F195L193-F195 HydrophobicContact CB-CD2 4.32Å; L193-F195 HydrophobicContact CB-CE2 3.93Å; L193-F195 HydrophobicContact CD1-CE2 4.25Å
194L29.5Very low30Very low170 Ų170146.6 Ų146.689%0.8982%0.822SS**  trans-63.1140.5163.3-65.1156.9000108.8
195F28.6Very low30.1Very low179 Ų179147.4 Ų147.479%0.78582%0.821SS**  trans-136.7152.1161-82.7-76000110.3L193L193-F195 HydrophobicContact CB-CD2 4.32Å; L193-F195 HydrophobicContact CB-CE2 3.93Å; L193-F195 HydrophobicContact CD1-CE2 4.25Å
196P35.4Very low30.1Very low118 Ų118148.3 Ų148.377%0.76683%0.826SS**  trans-100.7175.1-148.839.4-38.7000115.2
197E34Very low30.2Very low197 Ų197140.8 Ų140.892%0.92182%0.821SS**  trans-66.2132.7167.9-60.6-174.8119.300112.6
198A27.8Very low30.1Very low102 Ų102139 Ų13984%0.84382%0.82SS**  trans-168.8123139.200000108.4
199G29.2Very low29.8Very low72 Ų72132.6 Ų132.674%0.74282%0.815SS**  trans-86.3162.3177.400000113.1
200L28Very low29.8Very low156 Ų156133.8 Ų133.882%0.81781%0.813SS**  177.5127.4129.7-90.6164.4000110.4
201H29.6Very low30.2Very low185 Ų185133.5 Ų133.586%0.85680%0.802SS**  trans32.1121.5158.7-59.1100.6000121.7
202G26.6Very low30.6Very low75 Ų75136 Ų13677%0.77380%0.803SS**  trans-167.719174.400000122.5
203K29.4Very low31.3Very low218 Ų218138.8 Ų138.895%0.94880%0.803SS**  trans61.9151.8171.5-64.4-172.8175.8-1770118.3
204A34.9Very low32Very low103 Ų103139.4 Ų139.485%0.85181%0.806SS**  trans-83.9150.5-173.300000114.1
205A28.9Very low32.5Very low93 Ų93136.6 Ų136.677%0.76980%0.8SS**  trans-149.9138.7155.500000109G207A205-G207 PolarHBondContact O-N 3.39Å; A205-G207 VanDerWaalsContact O-N 3.14Å
206D30.5Very low33.3Very low158 Ų158130.2 Ų130.285%0.84578%0.777SS**  trans-75.399.5-158-59.7-92.4000116K208D206-K208 PolarHBondContact O-N 3.09Å; D206-K208 VanDerWaalsContact O-N 3.15Å
207G29.2Very low33.9Very low79 Ų79128 Ų12881%0.81477%0.765SS**  trans-80.874.9165.200000112.7A205 A209A205-G207 PolarHBondContact O-N 3.39Å; A205-G207 VanDerWaalsContact O-N 3.14Å; G207-A209 PolarHBondContact O-N 3.2Å
208K29.8Very low34.8Very low199 Ų199123.9 Ų123.987%0.86575%0.749SS**  trans-62.9102172.3-93.8-175.5176.4178.10111D206 R210D206-K208 PolarHBondContact O-N 3.09Å; D206-K208 VanDerWaalsContact O-N 3.15Å; K208-R210 PolarHBondContact O-N 2.88Å
209A27.5Very low36Very low91 Ų91124.8 Ų124.875%0.75274%0.738SS**  trans-59.4122.1161.700000109.2G207 P211G207-A209 PolarHBondContact O-N 3.2Å; A209-P211 WeakPolarHBondContact O-CD 3.49Å
210R31.6Very low37Very low185 Ų185127.4 Ų127.470%0.69873%0.734SS**  trans-72.2117.1172.4-82.9-176.4164.1-176-4.2109.3D29 K208D29-R210 IonicContact OD1-NH2 2.78Å; D29-R210 PolarHBondContact OD1-NH2 2.91Å; D29-R210 VanDerWaalsContact OD1-NH2 3.15Å; K208-R210 PolarHBondContact O-N 2.88Å
211P40.3Very low38.2Very low96 Ų96127.6 Ų127.662%0.62374%0.736SS**  trans-88.8-1.8-173.333.8-32.3000115.1A209A209-P211 WeakPolarHBondContact O-CD 3.49Å
212D34Very low39.8Very low141 Ų141121.5 Ų121.575%0.75472%0.724SS**THydrogen-bonded Turntrans-103.313.8-159.2-54-62.1000117.3
213L45.5Very low41.8Very low159 Ų159119.3 Ų119.383%0.83270%0.698SS**THydrogen-bonded Turntrans-118.7-0.8175.6-78.3166.5000114.4C215L213-C215 PolarHBondContact O-N 2.89Å
214L41.4Very low44.1Very low151 Ų151112 Ų11279%0.79167%0.665SS**  trans-89.448.2-174.8-69.1176.3000114.4
215C39.7Very low46.1Very low112 Ų112111.7 Ų111.776%0.75764%0.644SS**SBendtrans-154.464.2167.3-159.90000115.5L213L213-C215 PolarHBondContact O-N 2.89Å
216S46.1Very low48.7Very low44 Ų44107.3 Ų107.331%0.30861%0.608SS.*SBendtrans-153.81.1163-81.40000116K225 L239S216-K225 VanDerWaalsContact O-O 3.09Å; S216-L239 WeakPolarHBondContact O-CD2 3.41Å
217S49.1Very low50.9Low73 Ų73104.3 Ų104.351%0.5160%0.596SS.*  trans-107.684.1-173.454.60000113.3I219S217-I219 PolarHBondContact O-N 3.45Å
218L52.6Low53.2Low109 Ų109107.6 Ų107.657%0.57159%0.587SS**EExtended strand (participates in β ladder)trans-76.397154.9-76.9168.3000108L220L218-L220 PolarHBondContact O-N 3.06Å; L218-L220 VanDerWaalsContact O-N 3.14Å
219I53Low55.7Low121 Ų121100.8 Ų100.862%0.62156%0.564SS**EExtended strand (participates in β ladder)trans-77.196.6175.7-56179.8000108.3S217S217-I219 PolarHBondContact O-N 3.45Å
220L49.8Very low58.2Low127 Ų12798.1 Ų98.167%0.66555%0.546SS*.EExtended strand (participates in β ladder)trans-102.8117.1157.1-106.376.3000107.7L218 G222 A223L218-L220 PolarHBondContact O-N 3.06Å; L218-L220 VanDerWaalsContact O-N 3.14Å; L220-G222 PolarHBondContact O-N 2.84Å; L220-A223 PolarHBondContact O-N 3.25Å; L220-A223 VanDerWaalsContact O-N 3.1Å
221N52.7Low60.5Low161 Ų16195.1 Ų95.186%0.86154%0.538SS*.THydrogen-bonded Turntrans50.648.1165.3-55-33.8000114.9A223N221-A223 VanDerWaalsContact C-N 3.29Å; N221-A223 PolarHBondContact O-N 2.88Å
222G62.4Low62.5Low57 Ų5794.9 Ų94.959%0.58854%0.535SS*.THydrogen-bonded Turntrans74.510.9175.300000115.5L220L220-G222 PolarHBondContact O-N 2.84Å
223A69.8Low64.9Low29 Ų2990.5 Ų90.524%0.2451%0.509CS..EExtended strand (participates in β ladder)trans-117.2137.7-178.400000112.6L220 N221 V232L220-A223 PolarHBondContact O-N 3.25Å; L220-A223 VanDerWaalsContact O-N 3.1Å; N221-A223 VanDerWaalsContact C-N 3.29Å; N221-A223 PolarHBondContact O-N 2.88Å; A223-V232 HydrophobicContact CB-CG1 3.44Å; A223-V232 VanDerWaalsContact CB-CG1 3.44Å
224Y77.8Confident66.6Low65 Ų6588 Ų8826%0.25551%0.505SS..EExtended strand (participates in β ladder)trans-98.8108.5-171.7-62.6-92.4000110.5V232 F233 T235 P236Y224-V232 CarbonylContact O-C 3.58Å; Y224-V232 WeakPolarHBondContact O-CA 3.5Å; Y224-F233 PolarHBondContact N-O 3.33Å; Y224-F233 PolarHBondContact O-N 3.15Å; Y224-T235 VanDerWaalsContact CD2-C 3.44Å; Y224-P236 HydrophobicContact CD1-CB 4Å; Y224-P236 HydrophobicContact CE1-CB 3.61Å; Y224-P236 HydrophobicContact CE1-CG 4.22Å; Y224-P236 HydrophobicContact CE2-CB 4.47Å; Y224-P236 HydrophobicContact CE2-CG 4.46Å
225K77.6Confident68.5Low95 Ų9584 Ų8441%0.41349%0.486SS..EExtended strand (participates in β ladder)trans-95.8125.3-176.5-173.4179178.2-176.30112.7S216 V227 K231 V232S216-K225 VanDerWaalsContact O-O 3.09Å; K225-V227 PolarHBondContact O-N 2.78Å; K225-K231 CarbonylContact C-O 3.55Å; K225-K231 WeakPolarHBondContact CA-O 3.28Å; K225-V232 HydrophobicContact CB-CG2 4.3Å; K225-V232 HydrophobicContact CG-CG2 4.16Å
226C81.6Confident70.3Confident1 Ų182 Ų821%0.00747%0.472CS..  trans-68120.6169.8-179.70000111.1K228 G230 K231 F233 L239 H242C226-K228 VanDerWaalsContact C-N 3.34Å; C226-K228 PolarHBondContact O-N 2.97Å; C226-G230 WeakPolarHBondContact O-CA 3.48Å; C226-G230 PolarHBondContact O-N 2.78Å; C226-K231 PolarHBondContact N-O 2.72Å; C226-F233 HydrophobicContact CB-CE2 4.24Å; C226-L239 VanDerWaalsContact CA-CD1 3.48Å; C226-L239 HydrophobicContact CB-CD1 3.54Å; C226-H242 WeakPolarHBondContact CB-NE2 3.39Å; C226-H242 PolarHBondContact SG-NE2 3.12Å
227V77.4Confident71.9Confident96 Ų9685.8 Ų85.858%0.58249%0.485SS*.THydrogen-bonded Turntrans-63.5-38.5178.5-175.80000111.6K225K225-V227 PolarHBondContact O-N 2.78Å
228K77.9Confident73.4Confident147 Ų14783.3 Ų83.364%0.63947%0.471SS*.THydrogen-bonded Turntrans-77.4-20.1-174.2-69.4-175.6176.2-176.40115.4C226 H247C226-K228 VanDerWaalsContact C-N 3.34Å; C226-K228 PolarHBondContact O-N 2.97Å; K228-H247 HydrophobicContact CD-CB 3.7Å
229C81.3Confident74.8Confident56 Ų5678.6 Ų78.638%0.37845%0.446SS..THydrogen-bonded Turntrans-143.911.517981.40000115.3K231 H242C229-K231 PolarHBondContact O-N 2.82Å; C229-K231 VanDerWaalsContact SG-CG 3.55Å; C229-H242 PolarHBondContact SG-CE1 3.48Å; C229-H242 PolarHBondContact SG-NE2 3.37Å
230G79.7Confident76Confident36 Ų3677.4 Ų77.437%0.37144%0.438SS..  trans67.7-2.5176.100000116.7C226C226-G230 WeakPolarHBondContact O-CA 3.48Å; C226-G230 PolarHBondContact O-N 2.78Å
231K81.1Confident77.3Confident121 Ų12172.4 Ų72.453%0.52641%0.413SS..  trans-66.7136.7-177.7-75179.3-175.2176.60111.2K225 C226 C229 F233K225-K231 CarbonylContact C-O 3.55Å; K225-K231 WeakPolarHBondContact CA-O 3.28Å; C226-K231 PolarHBondContact N-O 2.72Å; C229-K231 PolarHBondContact O-N 2.82Å; C229-K231 VanDerWaalsContact SG-CG 3.55Å; K231-F233 HydrophobicContact CB-CE2 3.63Å; K231-F233 HydrophobicContact CB-CZ 3.85Å; K231-F233 HydrophobicContact CD-CZ 4.44Å; K231-F233 WeakPolarHBondContact O-CE2 3.23Å
232V82.8Confident78.7Confident92 Ų9265.5 Ų65.556%0.55838%0.375SS*.EExtended strand (participates in β ladder)trans-103.9136.2-178.7-177.90000109.9A223 Y224 K225A223-V232 HydrophobicContact CB-CG1 3.44Å; A223-V232 VanDerWaalsContact CB-CG1 3.44Å; Y224-V232 CarbonylContact O-C 3.58Å; Y224-V232 WeakPolarHBondContact O-CA 3.5Å; K225-V232 HydrophobicContact CB-CG2 4.3Å; K225-V232 HydrophobicContact CG-CG2 4.16Å
233F82.8Confident79.5Confident49 Ų4964.1 Ų64.122%0.21536%0.355CS..EExtended strand (participates in β ladder)trans-123.3146.7-178.6-61.5-88.1000110Y224 C226 K231 T235 L239 H242Y224-F233 PolarHBondContact N-O 3.33Å; Y224-F233 PolarHBondContact O-N 3.15Å; C226-F233 HydrophobicContact CB-CE2 4.24Å; K231-F233 HydrophobicContact CB-CE2 3.63Å; K231-F233 HydrophobicContact CB-CZ 3.85Å; K231-F233 HydrophobicContact CD-CZ 4.44Å; K231-F233 WeakPolarHBondContact O-CE2 3.23Å; F233-T235 VanDerWaalsContact C-N 3.33Å; F233-L239 HydrophobicContact CB-CB 4.24Å; F233-L239 HydrophobicContact CD2-CB 3.98Å; F233-L239 HydrophobicContact CD2-CD1 3.88Å; F233-L239 HydrophobicContact CE2-CD1 4.11Å; F233-L239 HydrophobicContact CG-CB 4.24Å; F233-H242 HydrophobicContact CE1-CB 3.7Å; F233-H242 HydrophobicContact CE2-CB 3.88Å; F233-H242 AromaticContact CE2-CD2 3.31Å; F233-H242 WeakPolarHBondContact CE2-CD2 3.26Å; F233-H242 AromaticContact CE2-CG 3.58Å; F233-H242 HydrophobicContact CZ-CB 3.35Å; F233-H242 AromaticContact CZ-CD2 3.42Å; F233-H242 VanDerWaalsContact CZ-CD2 3.42Å; F233-H242 WeakPolarHBondContact CZ-CD2 3.48Å; F233-H242 AromaticContact CZ-CG 3.15Å; F233-H242 AromaticContact CZ-ND1 3.75Å
234S82.1Confident79.7Confident106 Ų10668.6 Ų68.674%0.74137%0.366SS*.SBendtrans-80.7-11.8176.750.40000113.9
235T81.8Confident79.5Confident66 Ų6669.6 Ų69.641%0.40537%0.369SS..SBendtrans-136.2149.2-177.163.40000111.6Y224 F233 G238 L239Y224-T235 VanDerWaalsContact CD2-C 3.44Å; F233-T235 VanDerWaalsContact C-N 3.33Å; T235-G238 PolarHBondContact O-N 3.3Å; T235-G238 PolarHBondContact OG1-N 3.23Å; T235-G238 VanDerWaalsContact OG1-N 3.12Å; T235-L239 PolarHBondContact O-N 2.91Å
236P77.8Confident79.3Confident72 Ų7268.3 Ų68.347%0.46837%0.372SS..Hα-helixtrans-65.6-42179.524.1-29.7000110.8Y224 G238 L239 E240Y224-P236 HydrophobicContact CD1-CB 4Å; Y224-P236 HydrophobicContact CE1-CB 3.61Å; Y224-P236 HydrophobicContact CE1-CG 4.22Å; Y224-P236 HydrophobicContact CE2-CB 4.47Å; Y224-P236 HydrophobicContact CE2-CG 4.46Å; P236-G238 VanDerWaalsContact C-N 3.27Å; P236-G238 PolarHBondContact O-N 2.64Å; P236-L239 WeakPolarHBondContact O-CB 3.23Å; P236-L239 PolarHBondContact O-N 3.05Å; P236-L239 VanDerWaalsContact O-N 3.1Å; P236-E240 WeakPolarHBondContact O-CB 3.4Å; P236-E240 PolarHBondContact O-N 3.09Å
237H79.4Confident79.1Confident123 Ų12371.2 Ų71.257%0.56939%0.385SS*.Hα-helixtrans-59.4-37.7174.1-173.960.2000112L239 E240 V241H237-L239 VanDerWaalsContact C-N 3.33Å; H237-L239 PolarHBondContact O-N 3.46Å; H237-E240 IonicContact CE1-OE2 3.73Å; H237-E240 IonicContact ND1-OE2 3.93Å; H237-E240 PolarHBondContact ND1-OE2 2.86Å; H237-E240 VanDerWaalsContact ND1-OE2 3.07Å; H237-E240 PolarHBondContact O-N 3.26Å; H237-V241 WeakPolarHBondContact CE1-CG2 3.3Å; H237-V241 WeakPolarHBondContact O-CB 3.22Å; H237-V241 WeakPolarHBondContact O-CG2 3.39Å; H237-V241 PolarHBondContact O-N 3.04Å
238G80.5Confident78.6Confident21 Ų2169.7 Ų69.722%0.21638%0.379CS..Hα-helixtrans-60.9-40.3174.500000113T235 P236 H242T235-G238 PolarHBondContact O-N 3.3Å; T235-G238 PolarHBondContact OG1-N 3.23Å; T235-G238 VanDerWaalsContact OG1-N 3.12Å; P236-G238 VanDerWaalsContact C-N 3.27Å; P236-G238 PolarHBondContact O-N 2.64Å; G238-H242 VanDerWaalsContact O-CB 3.24Å; G238-H242 WeakPolarHBondContact O-CB 3.42Å; G238-H242 PolarHBondContact O-N 2.89Å
239L81.2Confident77.9Confident9 Ų965.5 Ų65.55%0.04738%0.377CS..Hα-helixtrans-69.5-51.5174.7171.359.7000112.1S216 C226 F233 T235 P236 H237 V241 H242 V243S216-L239 WeakPolarHBondContact O-CD2 3.41Å; C226-L239 VanDerWaalsContact CA-CD1 3.48Å; C226-L239 HydrophobicContact CB-CD1 3.54Å; F233-L239 HydrophobicContact CB-CB 4.24Å; F233-L239 HydrophobicContact CD2-CB 3.98Å; F233-L239 HydrophobicContact CD2-CD1 3.88Å; F233-L239 HydrophobicContact CE2-CD1 4.11Å; F233-L239 HydrophobicContact CG-CB 4.24Å; T235-L239 PolarHBondContact O-N 2.91Å; P236-L239 WeakPolarHBondContact O-CB 3.23Å; P236-L239 PolarHBondContact O-N 3.05Å; P236-L239 VanDerWaalsContact O-N 3.1Å; H237-L239 VanDerWaalsContact C-N 3.33Å; H237-L239 PolarHBondContact O-N 3.46Å; L239-V241 VanDerWaalsContact C-N 3.32Å; L239-V241 PolarHBondContact O-N 3.46Å; L239-H242 CarbonylContact O-C 3.57Å; L239-H242 WeakPolarHBondContact O-CA 3.46Å; L239-H242 WeakPolarHBondContact O-CB 3.38Å; L239-H242 PolarHBondContact O-N 3.45Å; L239-V243 HydrophobicContact CD1-CG2 3.86Å; L239-V243 HydrophobicContact CG-CG2 4.48Å; L239-V243 WeakPolarHBondContact O-CG2 3.37Å; L239-V243 PolarHBondContact O-N 2.87Å
240E78.1Confident77.2Confident97 Ų9766 Ų6645%0.45338%0.379SS..Hα-helixtrans-51.5-52.5178.2-178.2-137.9147.300110.8P236 H237 H242 V243 R244P236-E240 WeakPolarHBondContact O-CB 3.4Å; P236-E240 PolarHBondContact O-N 3.09Å; H237-E240 IonicContact CE1-OE2 3.73Å; H237-E240 IonicContact ND1-OE2 3.93Å; H237-E240 PolarHBondContact ND1-OE2 2.86Å; H237-E240 VanDerWaalsContact ND1-OE2 3.07Å; H237-E240 PolarHBondContact O-N 3.26Å; E240-H242 VanDerWaalsContact C-N 3.33Å; E240-H242 PolarHBondContact O-N 3.27Å; E240-V243 PolarHBondContact O-N 2.96Å; E240-R244 WeakPolarHBondContact O-CB 3.49Å; E240-R244 PolarHBondContact O-N 3.21Å
241V78.4Confident76.9Confident22 Ų2269.5 Ų69.513%0.13338%0.381CS..Hα-helixtrans-62.9-38.3177.8167.50000112.1H237 L239 R245H237-V241 WeakPolarHBondContact CE1-CG2 3.3Å; H237-V241 WeakPolarHBondContact O-CB 3.22Å; H237-V241 WeakPolarHBondContact O-CG2 3.39Å; H237-V241 PolarHBondContact O-N 3.04Å; L239-V241 VanDerWaalsContact C-N 3.32Å; L239-V241 PolarHBondContact O-N 3.46Å; V241-R245 HydrophobicContact CG1-CG 4.47Å; V241-R245 VanDerWaalsContact O-CB 3.27Å; V241-R245 WeakPolarHBondContact O-CB 3.18Å; V241-R245 WeakPolarHBondContact O-CD 3.35Å; V241-R245 WeakPolarHBondContact O-CG 3.4Å; V241-R245 PolarHBondContact O-N 2.87Å
242H81.1Confident76.6Confident16 Ų1667 Ų677%0.07438%0.377CS..Hα-helixtrans-63.9-46.9173.7158.365.2000111.9C226 C229 F233 G238 L239 E240 R245 S246 H247C226-H242 WeakPolarHBondContact CB-NE2 3.39Å; C226-H242 PolarHBondContact SG-NE2 3.12Å; C229-H242 PolarHBondContact SG-CE1 3.48Å; C229-H242 PolarHBondContact SG-NE2 3.37Å; F233-H242 HydrophobicContact CE1-CB 3.7Å; F233-H242 HydrophobicContact CE2-CB 3.88Å; F233-H242 AromaticContact CE2-CD2 3.31Å; F233-H242 WeakPolarHBondContact CE2-CD2 3.26Å; F233-H242 AromaticContact CE2-CG 3.58Å; F233-H242 HydrophobicContact CZ-CB 3.35Å; F233-H242 AromaticContact CZ-CD2 3.42Å; F233-H242 VanDerWaalsContact CZ-CD2 3.42Å; F233-H242 WeakPolarHBondContact CZ-CD2 3.48Å; F233-H242 AromaticContact CZ-CG 3.15Å; F233-H242 AromaticContact CZ-ND1 3.75Å; G238-H242 VanDerWaalsContact O-CB 3.24Å; G238-H242 WeakPolarHBondContact O-CB 3.42Å; G238-H242 PolarHBondContact O-N 2.89Å; L239-H242 CarbonylContact O-C 3.57Å; L239-H242 WeakPolarHBondContact O-CA 3.46Å; L239-H242 WeakPolarHBondContact O-CB 3.38Å; L239-H242 PolarHBondContact O-N 3.45Å; E240-H242 VanDerWaalsContact C-N 3.33Å; E240-H242 PolarHBondContact O-N 3.27Å; H242-R245 PolarHBondContact O-N 2.96Å; H242-S246 PolarHBondContact CE1-OG 3.21Å; H242-S246 PolarHBondContact ND1-OG 3.32Å; H242-S246 WeakPolarHBondContact O-CB 3.35Å; H242-S246 PolarHBondContact O-N 2.95Å; H242-S246 PolarHBondContact O-OG 2.67Å; H242-H247 AromaticContact CE1-NE2 3.78Å; H242-H247 AromaticContact NE2-CD2 3.88Å; H242-H247 AromaticContact NE2-NE2 3.54Å
243V78.6Confident76.5Confident27 Ų2766 Ų6616%0.16437%0.365CS..Hα-helixtrans-60.9-50.3178.6173.70000109.9L239 E240 R245 S246 H247 S248L239-V243 HydrophobicContact CD1-CG2 3.86Å; L239-V243 HydrophobicContact CG-CG2 4.48Å; L239-V243 WeakPolarHBondContact O-CG2 3.37Å; L239-V243 PolarHBondContact O-N 2.87Å; E240-V243 PolarHBondContact O-N 2.96Å; V243-R245 VanDerWaalsContact C-N 3.3Å; V243-R245 PolarHBondContact O-N 3.22Å; V243-S246 PolarHBondContact O-N 3.22Å; V243-H247 HydrophobicContact CG1-CB 4.42Å; V243-H247 WeakPolarHBondContact O-CA 3.49Å; V243-H247 WeakPolarHBondContact O-CB 3.24Å; V243-H247 PolarHBondContact O-N 3.39Å; V243-S248 PolarHBondContact O-N 3.41Å; V243-S248 VanDerWaalsContact O-N 3.12Å; V243-S248 PolarHBondContact O-OG 3.46Å
244R74.4Confident76.5Confident124 Ų12465.9 Ų65.947%0.46837%0.373SS..Hα-helixtrans-55.9-40.8178.3-168.1174.8-179.1175.91113.1E240 T250E240-R244 WeakPolarHBondContact O-CB 3.49Å; E240-R244 PolarHBondContact O-N 3.21Å; R244-T250 WeakPolarHBondContact CG-OG1 3.3Å; R244-T250 PolarHBondContact O-OG1 3.45Å; R244-T250 VanDerWaalsContact O-OG1 3.05Å
245R74.8Confident76.7Confident86 Ų8660.9 Ų60.933%0.32534%0.339SS..Hα-helixtrans-83.5-28.8-178.9-70.9173.6178152.411.8115V241 H242 V243 G263 H264V241-R245 HydrophobicContact CG1-CG 4.47Å; V241-R245 VanDerWaalsContact O-CB 3.27Å; V241-R245 WeakPolarHBondContact O-CB 3.18Å; V241-R245 WeakPolarHBondContact O-CD 3.35Å; V241-R245 WeakPolarHBondContact O-CG 3.4Å; V241-R245 PolarHBondContact O-N 2.87Å; H242-R245 PolarHBondContact O-N 2.96Å; V243-R245 VanDerWaalsContact C-N 3.3Å; V243-R245 PolarHBondContact O-N 3.22Å; R245-G263 PolarHBondContact NE-O 3.13Å; R245-G263 PolarHBondContact NH2-O 3.05Å; R245-H264 VanDerWaalsContact CZ-CE1 3.49Å; R245-H264 PolarHBondContact NH1-CE1 2.83Å; R245-H264 PolarHBondContact NH1-ND1 2.95Å; R245-H264 PolarHBondContact NH1-NE2 3.15Å; R245-H264 VanDerWaalsContact NH1-NE2 3.17Å
246S73.1Confident76.8Confident67 Ų6763.9 Ų63.947%0.46935%0.352SS..Hα-helixtrans-111-21.3-167.1-380000113.8H242 V243H242-S246 PolarHBondContact CE1-OG 3.21Å; H242-S246 PolarHBondContact ND1-OG 3.32Å; H242-S246 WeakPolarHBondContact O-CB 3.35Å; H242-S246 PolarHBondContact O-N 2.95Å; H242-S246 PolarHBondContact O-OG 2.67Å; V243-S246 PolarHBondContact O-N 3.22Å
247H76.9Confident77.1Confident62 Ų6265.8 Ų65.829%0.28736%0.357SS..THydrogen-bonded Turntrans-127.7-29.8-173.8-63.2-54.6000113.5K228 H242 V243K228-H247 HydrophobicContact CD-CB 3.7Å; H242-H247 AromaticContact CE1-NE2 3.78Å; H242-H247 AromaticContact NE2-CD2 3.88Å; H242-H247 AromaticContact NE2-NE2 3.54Å; V243-H247 HydrophobicContact CG1-CB 4.42Å; V243-H247 WeakPolarHBondContact O-CA 3.49Å; V243-H247 WeakPolarHBondContact O-CB 3.24Å; V243-H247 PolarHBondContact O-N 3.39Å
248S66.8Low77.4Confident65 Ų6562 Ų6246%0.45534%0.344SS..SBendtrans-91.2-3.2-176.9-460000114.5V243 T250V243-S248 PolarHBondContact O-N 3.41Å; V243-S248 VanDerWaalsContact O-N 3.12Å; V243-S248 PolarHBondContact O-OG 3.46Å; S248-T250 PolarHBondContact O-N 3.17Å
249G64.1Low77.3Confident58 Ų5863.8 Ų63.860%0.59836%0.362SS*.  trans68.6-22.8-178.100000115.5R251G249-R251 PolarHBondContact O-N 3.27Å
250T66.2Low77.3Confident68 Ų6869.3 Ų69.342%0.41739%0.386SS..  trans-61.798.2178.754.80000111.4R244 S248 P252R244-T250 WeakPolarHBondContact CG-OG1 3.3Å; R244-T250 PolarHBondContact O-OG1 3.45Å; R244-T250 VanDerWaalsContact O-OG1 3.05Å; S248-T250 PolarHBondContact O-N 3.17Å; T250-P252 WeakPolarHBondContact O-CD 3.47Å
251R72.1Confident77.5Confident109 Ų10967.6 Ų67.641%0.41138%0.382SS..  trans-105.594.2175.5-74168.469.5100.1-4107G249 F253 T261 F262G249-R251 PolarHBondContact O-N 3.27Å; R251-F253 PolarHBondContact O-N 3.33Å; R251-F253 VanDerWaalsContact O-N 3.07Å; R251-T261 WeakPolarHBondContact CB-OG1 3.35Å; R251-T261 VanDerWaalsContact CZ-O 3.23Å; R251-T261 PolarHBondContact NE-O 2.94Å; R251-T261 PolarHBondContact NH2-O 3.05Å; R251-T261 WeakPolarHBondContact O-CB 3.46Å; R251-F262 CarbonylContact C-O 3.28Å; R251-F262 VanDerWaalsContact C-O 3.23Å
252P76.2Confident77.6Confident68 Ų6868.2 Ų68.244%0.44238%0.383SS..  trans-67.3-17.9-160.2-22.134.5000114.8T250T250-P252 WeakPolarHBondContact O-CD 3.47Å
253F80.4Confident77.4Confident70 Ų7067.8 Ų67.831%0.30738%0.384SS..EExtended strand (participates in β ladder)trans-101.888.9-170.9-56.3-78.3000109.7R251 T261 F262 A265 L268R251-F253 PolarHBondContact O-N 3.33Å; R251-F253 VanDerWaalsContact O-N 3.07Å; F253-T261 CarbonylContact O-C 3.59Å; F253-T261 WeakPolarHBondContact O-CA 3.44Å; F253-F262 HydrophobicContact CB-CB 4.23Å; F253-F262 WeakPolarHBondContact CD2-O 3.33Å; F253-F262 PolarHBondContact N-O 2.78Å; F253-F262 WeakPolarHBondContact O-CD2 3.14Å; F253-F262 PolarHBondContact O-N 2.81Å; F253-A265 HydrophobicContact CD1-CB 3.9Å; F253-A265 HydrophobicContact CE1-CB 3.7Å; F253-A265 HydrophobicContact CG-CB 4.46Å; F253-A265 HydrophobicContact CZ-CB 4.1Å; F253-L268 HydrophobicContact CB-CB 3.91Å; F253-L268 HydrophobicContact CB-CD2 3.82Å; F253-L268 HydrophobicContact CB-CG 4.48Å
254A82.8Confident77.4Confident47 Ų4770.8 Ų70.839%0.38840%0.396SS..EExtended strand (participates in β ladder)trans-78.5149176.100000112.2K260 T261 L268A254-K260 CarbonylContact C-O 3.59Å; A254-T261 HydrophobicContact CB-CG2 4.2Å; A254-L268 WeakPolarHBondContact O-CD1 3.37Å; A254-L268 WeakPolarHBondContact O-CD2 3.36Å
255C85.6Confident77.8Confident2 Ų267.3 Ų67.31%0.01439%0.393CS..  trans-93.6114.2171.3-176.20000110.9I257 C258 G259 K260 F262 L268 H271 H275C255-I257 PolarHBondContact O-N 3.41Å; C255-C258 PolarHBondContact O-N 3.28Å; C255-C258 VanDerWaalsContact O-N 3.16Å; C255-G259 WeakPolarHBondContact O-CA 3.35Å; C255-G259 PolarHBondContact O-N 3.16Å; C255-K260 WeakPolarHBondContact CB-O 3.32Å; C255-K260 PolarHBondContact N-O 3.11Å; C255-F262 HydrophobicContact CB-CE2 4.29Å; C255-L268 HydrophobicContact CB-CD1 3.64Å; C255-H271 VanDerWaalsContact SG-CD2 3.57Å; C255-H275 PolarHBondContact SG-NE2 3.45Å
256D84.1Confident78.1Confident128 Ų12868 Ų6868%0.68441%0.406SS*.THydrogen-bonded Turntrans-55.1-25.2-177.9-36.2-59.2000113.6K272D256-K272 VanDerWaalsContact OD2-CE 3.24Å; D256-K272 WeakPolarHBondContact OD2-CE 3.42Å; D256-K272 IonicContact OD2-NZ 3.07Å; D256-K272 PolarHBondContact OD2-NZ 3.17Å
257I83.9Confident78.6Confident112 Ų11267 Ų6757%0.57440%0.4SS*.THydrogen-bonded Turntrans-91.3-27.6-175.5-58.7169.6000112.7C255 H275C255-I257 PolarHBondContact O-N 3.41Å; I257-H275 HydrophobicContact CD1-CB 3.65Å; I257-H275 HydrophobicContact CG2-CB 4.38Å
258C85.2Confident79Confident43 Ų4365.1 Ų65.129%0.29139%0.392SS..THydrogen-bonded Turntrans-142.711.7-172.772.90000115.7C255 K260 H271 H275C255-C258 PolarHBondContact O-N 3.28Å; C255-C258 VanDerWaalsContact O-N 3.16Å; C258-K260 PolarHBondContact O-N 3.35Å; C258-H271 PolarHBondContact SG-NE2 3.3Å; C258-H275 WeakPolarHBondContact CB-CE1 3.48Å; C258-H275 WeakPolarHBondContact CB-NE2 3.48Å; C258-H275 PolarHBondContact SG-CE1 2.8Å; C258-H275 PolarHBondContact SG-NE2 3.04Å
259G79.9Confident79.7Confident59 Ų5968.6 Ų68.661%0.60840%0.401SS*.  trans66.7-4.8178.300000115.8C255 T261C255-G259 WeakPolarHBondContact O-CA 3.35Å; C255-G259 PolarHBondContact O-N 3.16Å; G259-T261 PolarHBondContact O-N 3.02Å
260K81.1Confident80.5Confident125 Ų12570.3 Ų70.354%0.54339%0.393SS..  trans-66.2125.3-176.7-71.5178.2-175.5171.70110.9A254 C255 C258 F262A254-K260 CarbonylContact C-O 3.59Å; C255-K260 WeakPolarHBondContact CB-O 3.32Å; C255-K260 PolarHBondContact N-O 3.11Å; C258-K260 PolarHBondContact O-N 3.35Å; K260-F262 HydrophobicContact CB-CE2 3.83Å; K260-F262 HydrophobicContact CB-CZ 4.03Å; K260-F262 WeakPolarHBondContact O-CD2 3.49Å; K260-F262 WeakPolarHBondContact O-CE2 3.39Å
261T81.6Confident81.4Confident62 Ų6268.1 Ų68.138%0.3838%0.378SS..EExtended strand (participates in β ladder)trans-93.7148.2-179.859.80000112R251 F253 A254 G259R251-T261 WeakPolarHBondContact CB-OG1 3.35Å; R251-T261 VanDerWaalsContact CZ-O 3.23Å; R251-T261 PolarHBondContact NE-O 2.94Å; R251-T261 PolarHBondContact NH2-O 3.05Å; R251-T261 WeakPolarHBondContact O-CB 3.46Å; F253-T261 CarbonylContact O-C 3.59Å; F253-T261 WeakPolarHBondContact O-CA 3.44Å; A254-T261 HydrophobicContact CB-CG2 4.2Å; G259-T261 PolarHBondContact O-N 3.02Å
262F81.1Confident81.9Confident34 Ų3467 Ų6715%0.14938%0.377CS..EExtended strand (participates in β ladder)trans-130.8149-178.1-62.8-87.1000111.3R251 F253 C255 K260 H264 L268 H271R251-F262 CarbonylContact C-O 3.28Å; R251-F262 VanDerWaalsContact C-O 3.23Å; F253-F262 HydrophobicContact CB-CB 4.23Å; F253-F262 WeakPolarHBondContact CD2-O 3.33Å; F253-F262 PolarHBondContact N-O 2.78Å; F253-F262 WeakPolarHBondContact O-CD2 3.14Å; F253-F262 PolarHBondContact O-N 2.81Å; C255-F262 HydrophobicContact CB-CE2 4.29Å; K260-F262 HydrophobicContact CB-CE2 3.83Å; K260-F262 HydrophobicContact CB-CZ 4.03Å; K260-F262 WeakPolarHBondContact O-CD2 3.49Å; K260-F262 WeakPolarHBondContact O-CE2 3.39Å; F262-H264 VanDerWaalsContact C-N 3.32Å; F262-L268 HydrophobicContact CB-CB 4.22Å; F262-L268 HydrophobicContact CD2-CB 3.99Å; F262-L268 HydrophobicContact CD2-CD1 3.94Å; F262-L268 HydrophobicContact CE2-CD1 4.23Å; F262-L268 HydrophobicContact CG-CB 4.28Å; F262-H271 HydrophobicContact CE1-CB 3.95Å; F262-H271 HydrophobicContact CE2-CB 3.79Å; F262-H271 AromaticContact CE2-CD2 3.33Å; F262-H271 WeakPolarHBondContact CE2-CD2 3.29Å; F262-H271 AromaticContact CE2-CG 3.56Å; F262-H271 HydrophobicContact CZ-CB 3.46Å; F262-H271 VanDerWaalsContact CZ-CB 3.46Å; F262-H271 AromaticContact CZ-CD2 3.4Å; F262-H271 VanDerWaalsContact CZ-CD2 3.4Å; F262-H271 WeakPolarHBondContact CZ-CD2 3.13Å; F262-H271 AromaticContact CZ-CG 3.19Å; F262-H271 AromaticContact CZ-ND1 3.73Å
263G77.7Confident82Confident8 Ų865.2 Ų65.28%0.08237%0.367CS..SBendtrans-76.1-19.1176.800000113.9R245R245-G263 PolarHBondContact NE-O 3.13Å; R245-G263 PolarHBondContact NH2-O 3.05Å
264H78.4Confident81.9Confident90 Ų9065.8 Ų65.842%0.41738%0.376SS..SBendtrans-135.3143.5-175.8-59.6-119.6000110.8R245 F262 V266 S267 L268R245-H264 VanDerWaalsContact CZ-CE1 3.49Å; R245-H264 PolarHBondContact NH1-CE1 2.83Å; R245-H264 PolarHBondContact NH1-ND1 2.95Å; R245-H264 PolarHBondContact NH1-NE2 3.15Å; R245-H264 VanDerWaalsContact NH1-NE2 3.17Å; F262-H264 VanDerWaalsContact C-N 3.32Å; H264-V266 PolarHBondContact O-N 2.83Å; H264-S267 WeakPolarHBondContact O-CB 3.43Å; H264-S267 PolarHBondContact O-N 2.5Å; H264-S267 VanDerWaalsContact O-N 3.11Å; H264-L268 PolarHBondContact O-N 3.22Å; H264-L268 VanDerWaalsContact O-N 3.16Å
265A81.1Confident81.8Confident50 Ų5067.5 Ų67.541%0.41338%0.376SS..Hα-helixtrans-54.6-48.5172.200000112.2F253 S267 L268 E269F253-A265 HydrophobicContact CD1-CB 3.9Å; F253-A265 HydrophobicContact CE1-CB 3.7Å; F253-A265 HydrophobicContact CG-CB 4.46Å; F253-A265 HydrophobicContact CZ-CB 4.1Å; A265-S267 PolarHBondContact O-N 2.7Å; A265-S267 VanDerWaalsContact O-N 3.17Å; A265-L268 CarbonylContact O-C 3.51Å; A265-L268 WeakPolarHBondContact O-CA 3.43Å; A265-L268 WeakPolarHBondContact O-CB 3.47Å; A265-L268 PolarHBondContact O-N 3.36Å; A265-E269 PolarHBondContact O-N 3.48Å
266V82.9Confident81.2Confident100 Ų10069.4 Ų69.461%0.60639%0.389SS*.Hα-helixtrans-57.9-32.3177.9-175.50000112.6H264 Q270H264-V266 PolarHBondContact O-N 2.83Å; V266-Q270 VanDerWaalsContact O-CB 3.25Å; V266-Q270 WeakPolarHBondContact O-CB 3.44Å; V266-Q270 PolarHBondContact O-N 3.12Å
267S83.7Confident80.3Confident48 Ų4870.4 Ų70.434%0.33639%0.39SS..Hα-helixtrans-74.3-34.9175.2-58.10000112.5H264 A265 H271H264-S267 WeakPolarHBondContact O-CB 3.43Å; H264-S267 PolarHBondContact O-N 2.5Å; H264-S267 VanDerWaalsContact O-N 3.11Å; A265-S267 PolarHBondContact O-N 2.7Å; A265-S267 VanDerWaalsContact O-N 3.17Å; S267-H271 VanDerWaalsContact O-CB 3.24Å; S267-H271 WeakPolarHBondContact O-CB 3.41Å; S267-H271 PolarHBondContact O-N 3.45Å
268L84.1Confident79.3Confident22 Ų2272 Ų7212%0.11540%0.395CS..Hα-helixtrans-67.6-45.1171.7168.462.3000110.9F253 A254 C255 F262 H264 A265 H271 K272F253-L268 HydrophobicContact CB-CB 3.91Å; F253-L268 HydrophobicContact CB-CD2 3.82Å; F253-L268 HydrophobicContact CB-CG 4.48Å; A254-L268 WeakPolarHBondContact O-CD1 3.37Å; A254-L268 WeakPolarHBondContact O-CD2 3.36Å; C255-L268 HydrophobicContact CB-CD1 3.64Å; F262-L268 HydrophobicContact CB-CB 4.22Å; F262-L268 HydrophobicContact CD2-CB 3.99Å; F262-L268 HydrophobicContact CD2-CD1 3.94Å; F262-L268 HydrophobicContact CE2-CD1 4.23Å; F262-L268 HydrophobicContact CG-CB 4.28Å; H264-L268 PolarHBondContact O-N 3.22Å; H264-L268 VanDerWaalsContact O-N 3.16Å; A265-L268 CarbonylContact O-C 3.51Å; A265-L268 WeakPolarHBondContact O-CA 3.43Å; A265-L268 WeakPolarHBondContact O-CB 3.47Å; A265-L268 PolarHBondContact O-N 3.36Å; L268-H271 CarbonylContact O-C 3.38Å; L268-H271 WeakPolarHBondContact O-CA 3.38Å; L268-H271 WeakPolarHBondContact O-CB 3.38Å; L268-H271 PolarHBondContact O-N 2.68Å; L268-K272 HydrophobicContact CD1-CG 4.33Å; L268-K272 PolarHBondContact O-N 3.41Å
269E82.5Confident78.4Confident137 Ų13775.3 Ų75.364%0.6440%0.401SS*.Hα-helixtrans-59.9-50.3177.5-174.6-177.3-171.200111.4A265 H271 K272 A273A265-E269 PolarHBondContact O-N 3.48Å; E269-H271 PolarHBondContact O-N 3.25Å; E269-K272 WeakPolarHBondContact O-CB 3.45Å; E269-K272 PolarHBondContact O-N 2.86Å; E269-A273 PolarHBondContact O-N 3.38Å
270Q81.1Confident78.1Confident95 Ų9576.5 Ų76.544%0.44440%0.4SS..Hα-helixtrans-58.3-29171-179.9167.6118.300112.6V266 R292V266-Q270 VanDerWaalsContact O-CB 3.25Å; V266-Q270 WeakPolarHBondContact O-CB 3.44Å; V266-Q270 PolarHBondContact O-N 3.12Å; Q270-R292 HydrophobicContact CG-CG 4.35Å
271H83.3Confident78.1Confident21 Ų2174 Ų7410%0.09739%0.39CS..Hα-helixtrans-78.6-31.3174.2179.562.6000113.4C255 C258 F262 S267 L268 E269 A273 V274 H275C255-H271 VanDerWaalsContact SG-CD2 3.57Å; C258-H271 PolarHBondContact SG-NE2 3.3Å; F262-H271 HydrophobicContact CE1-CB 3.95Å; F262-H271 HydrophobicContact CE2-CB 3.79Å; F262-H271 AromaticContact CE2-CD2 3.33Å; F262-H271 WeakPolarHBondContact CE2-CD2 3.29Å; F262-H271 AromaticContact CE2-CG 3.56Å; F262-H271 HydrophobicContact CZ-CB 3.46Å; F262-H271 VanDerWaalsContact CZ-CB 3.46Å; F262-H271 AromaticContact CZ-CD2 3.4Å; F262-H271 VanDerWaalsContact CZ-CD2 3.4Å; F262-H271 WeakPolarHBondContact CZ-CD2 3.13Å; F262-H271 AromaticContact CZ-CG 3.19Å; F262-H271 AromaticContact CZ-ND1 3.73Å; S267-H271 VanDerWaalsContact O-CB 3.24Å; S267-H271 WeakPolarHBondContact O-CB 3.41Å; S267-H271 PolarHBondContact O-N 3.45Å; L268-H271 CarbonylContact O-C 3.38Å; L268-H271 WeakPolarHBondContact O-CA 3.38Å; L268-H271 WeakPolarHBondContact O-CB 3.38Å; L268-H271 PolarHBondContact O-N 2.68Å; E269-H271 PolarHBondContact O-N 3.25Å; H271-A273 PolarHBondContact O-N 3.04Å; H271-V274 WeakPolarHBondContact O-CA 3.17Å; H271-V274 WeakPolarHBondContact O-CB 3.36Å; H271-V274 WeakPolarHBondContact O-CG2 3Å; H271-V274 PolarHBondContact O-N 3.17Å; H271-H275 AromaticContact CD2-NE2 3.48Å; H271-H275 PolarHBondContact CD2-NE2 3.36Å; H271-H275 AromaticContact CE1-NE2 3.56Å; H271-H275 AromaticContact NE2-NE2 2.7Å; H271-H275 PolarHBondContact NE2-NE2 3.01Å
272K82.6Confident78.3Confident87 Ų8774.2 Ų74.238%0.37839%0.388SS..Hα-helixtrans-60.6-33.1172.7-70.9-171.8174.8-164.90111D256 L268 E269 V274 H275 S276D256-K272 VanDerWaalsContact OD2-CE 3.24Å; D256-K272 WeakPolarHBondContact OD2-CE 3.42Å; D256-K272 IonicContact OD2-NZ 3.07Å; D256-K272 PolarHBondContact OD2-NZ 3.17Å; L268-K272 HydrophobicContact CD1-CG 4.33Å; L268-K272 PolarHBondContact O-N 3.41Å; E269-K272 WeakPolarHBondContact O-CB 3.45Å; E269-K272 PolarHBondContact O-N 2.86Å; K272-V274 PolarHBondContact O-N 2.99Å; K272-V274 VanDerWaalsContact O-N 3.11Å; K272-H275 PolarHBondContact O-N 2.99Å; K272-S276 PolarHBondContact O-N 2.95Å
273A78.8Confident78.7Confident29 Ų2972.6 Ų72.624%0.2438%0.381CS..Hα-helixtrans-63.6-8.6168.800000114.7E269 H271 S276 K291E269-A273 PolarHBondContact O-N 3.38Å; H271-A273 PolarHBondContact O-N 3.04Å; A273-S276 VanDerWaalsContact O-O 3.06Å; A273-K291 VanDerWaalsContact O-CD 3.28Å; A273-K291 WeakPolarHBondContact O-CD 3.43Å; A273-K291 WeakPolarHBondContact O-CE 3.46Å; A273-K291 PolarHBondContact O-NZ 2.78Å
274V79.3Confident79.1Confident83 Ų8381 Ų8150%0.50342%0.416SS..Hα-helixtrans-73.9-40.5167.8179.80000110.6H271 K272 K291H271-V274 WeakPolarHBondContact O-CA 3.17Å; H271-V274 WeakPolarHBondContact O-CB 3.36Å; H271-V274 WeakPolarHBondContact O-CG2 3Å; H271-V274 PolarHBondContact O-N 3.17Å; K272-V274 PolarHBondContact O-N 2.99Å; K272-V274 VanDerWaalsContact O-N 3.11Å; V274-K291 PolarHBondContact O-NZ 3.01Å
275H80.1Confident79.5Confident83 Ų8382.3 Ų82.338%0.38442%0.424SS..Hα-helixtrans-80.9-37.7-179.9-59.8-65.2000112.8C255 I257 C258 H271 K272C255-H275 PolarHBondContact SG-NE2 3.45Å; I257-H275 HydrophobicContact CD1-CB 3.65Å; I257-H275 HydrophobicContact CG2-CB 4.38Å; C258-H275 WeakPolarHBondContact CB-CE1 3.48Å; C258-H275 WeakPolarHBondContact CB-NE2 3.48Å; C258-H275 PolarHBondContact SG-CE1 2.8Å; C258-H275 PolarHBondContact SG-NE2 3.04Å; H271-H275 AromaticContact CD2-NE2 3.48Å; H271-H275 PolarHBondContact CD2-NE2 3.36Å; H271-H275 AromaticContact CE1-NE2 3.56Å; H271-H275 AromaticContact NE2-NE2 2.7Å; H271-H275 PolarHBondContact NE2-NE2 3.01Å; K272-H275 PolarHBondContact O-N 2.99Å
276S72.4Confident79.9Confident41 Ų4182.1 Ų82.129%0.28742%0.419SS..SBendtrans-64.9138.9164.8-175.60000109.6K272 A273 E278 K291K272-S276 PolarHBondContact O-N 2.95Å; A273-S276 VanDerWaalsContact O-O 3.06Å; S276-E278 WeakPolarHBondContact OG-CB 3.32Å; S276-E278 WeakPolarHBondContact OG-CG 3.33Å; S276-E278 PolarHBondContact OG-N 3.13Å; S276-E278 VanDerWaalsContact OG-N 3.14Å; S276-E278 PolarHBondContact OG-OE2 3.35Å; S276-K291 PolarHBondContact O-NZ 2.82Å
277Q64.9Low80Confident150 Ų15080.2 Ų80.270%0.70142%0.42SS*.  trans-78.2-8.4170.8-169.767.5-54.700111.7R279Q277-R279 PolarHBondContact O-N 3.49Å
278E64.6Low80.1Confident145 Ų14583.7 Ų83.768%0.67843%0.429SS*.  trans-51.8124.1173.4-75.8172.7109.900111.7S276S276-E278 WeakPolarHBondContact OG-CB 3.32Å; S276-E278 WeakPolarHBondContact OG-CG 3.33Å; S276-E278 PolarHBondContact OG-N 3.13Å; S276-E278 VanDerWaalsContact OG-N 3.14Å; S276-E278 PolarHBondContact OG-OE2 3.35Å
279R64.7Low80.1Confident112 Ų11284.7 Ų84.742%0.42344%0.438SS..  trans-123.299.7167.4-73.8168.6150.786.1-6.7105.3Q277 F281 S289 F290 K291Q277-R279 PolarHBondContact O-N 3.49Å; R279-F281 VanDerWaalsContact C-N 3.34Å; R279-S289 VanDerWaalsContact CB-CB 3.41Å; R279-S289 VanDerWaalsContact CD-O 3.23Å; R279-S289 WeakPolarHBondContact CD-O 3.47Å; R279-S289 PolarHBondContact NE-O 2.83Å; R279-F290 CarbonylContact C-O 3.52Å; R279-F290 WeakPolarHBondContact CA-O 3.39Å; R279-K291 HydrophobicContact CG-CG 3.85Å
280S74.6Confident80.2Confident84 Ų8480.3 Ų80.359%0.58742%0.417SS*.  trans-84.8-5.5-171.9440000114.3F290S280-F290 PolarHBondContact N-O 3.2Å
281F81.1Confident80.3Confident73 Ų7378.5 Ų78.532%0.3241%0.408SS..EExtended strand (participates in β ladder)trans-118.990.9-173.8-60-74.9000111.3R279 F290 S293 L296R279-F281 VanDerWaalsContact C-N 3.34Å; F281-F290 HydrophobicContact CB-CB 4.28Å; F281-F290 PolarHBondContact N-O 3.07Å; F281-F290 PolarHBondContact O-N 2.99Å; F281-S293 VanDerWaalsContact CD2-N 3.26Å; F281-L296 HydrophobicContact CB-CB 4.07Å; F281-L296 HydrophobicContact CB-CD2 3.87Å
282D85.2Confident80.3Confident66 Ų6682.2 Ų82.235%0.35342%0.421SS..EExtended strand (participates in β ladder)trans-86.6134.4-179.1-53.9-56.6000113.5K284 S289D282-K284 PolarHBondContact O-N 3.44Å; D282-S289 WeakPolarHBondContact OD1-CB 3.45Å; D282-S289 PolarHBondContact OD1-OG 2.8Å
283C88.9Confident80.4Confident1 Ų181 Ų811%0.00742%0.423CS..  trans-75.3113.9163.3-177.10000110.2I285 G287 K288 F290 L296 H303C283-I285 PolarHBondContact O-N 2.99Å; C283-G287 VanDerWaalsContact O-CA 3.29Å; C283-G287 WeakPolarHBondContact O-CA 3.36Å; C283-G287 PolarHBondContact O-N 3.42Å; C283-K288 WeakPolarHBondContact CB-O 3.49Å; C283-K288 PolarHBondContact N-O 3.1Å; C283-F290 HydrophobicContact CB-CE2 4.37Å; C283-L296 HydrophobicContact CB-CD1 3.78Å; C283-H303 VanDerWaalsContact SG-CD2 3.59Å
284K86.4Confident80.8Confident184 Ų18482.9 Ų82.980%0.844%0.435SS*.THydrogen-bonded Turntrans-67.6-13.9177.7-57.2-56.2-177.3-1730114.4D282D282-K284 PolarHBondContact O-N 3.44Å
285I88Confident81.2Confident117 Ų11780.7 Ų80.760%0.642%0.421SS*.THydrogen-bonded Turntrans-90.1-36.8-177.3-55.2172.7000112C283 H303C283-I285 PolarHBondContact O-N 2.99Å; I285-H303 HydrophobicContact CD1-CB 3.56Å; I285-H303 HydrophobicContact CG2-CB 4.44Å; I285-H303 WeakPolarHBondContact CG2-ND1 3.5Å
286C89.1Confident81.5Confident46 Ų4677.8 Ų77.831%0.31141%0.409SS..THydrogen-bonded Turntrans-128.410.3-178.870.30000115.3K288 H299 H303C286-K288 PolarHBondContact O-N 3.26Å; C286-K288 VanDerWaalsContact O-N 3.09Å; C286-K288 VanDerWaalsContact SG-CD 3.56Å; C286-K288 VanDerWaalsContact SG-CG 3.57Å; C286-H299 PolarHBondContact SG-NE2 2.86Å; C286-H303 PolarHBondContact SG-NE2 3.12Å
287G84.1Confident82.3Confident60 Ų6078.8 Ų78.862%0.61942%0.416SS*.  trans67.26.4177.700000115.4C283 S289C283-G287 VanDerWaalsContact O-CA 3.29Å; C283-G287 WeakPolarHBondContact O-CA 3.36Å; C283-G287 PolarHBondContact O-N 3.42Å; G287-S289 PolarHBondContact O-N 2.66Å
288K85.9Confident83.4Confident122 Ų12274.2 Ų74.253%0.5340%0.398SS..  trans-77.9124.6-178-69.6176.5-169.3166.20111.2C283 C286 F290C283-K288 WeakPolarHBondContact CB-O 3.49Å; C283-K288 PolarHBondContact N-O 3.1Å; C286-K288 PolarHBondContact O-N 3.26Å; C286-K288 VanDerWaalsContact O-N 3.09Å; C286-K288 VanDerWaalsContact SG-CD 3.56Å; C286-K288 VanDerWaalsContact SG-CG 3.57Å; K288-F290 HydrophobicContact CB-CE2 3.79Å; K288-F290 HydrophobicContact CB-CZ 4.13Å; K288-F290 VanDerWaalsContact O-CD2 3.3Å; K288-F290 WeakPolarHBondContact O-CD2 3.24Å; K288-F290 WeakPolarHBondContact O-CE2 3.33Å
289S85.3Confident84.5Confident43 Ų4368.1 Ų68.130%0.30137%0.37SS..EExtended strand (participates in β ladder)trans-96.9136.3-179.8-42.20000112.5R279 D282 G287R279-S289 VanDerWaalsContact CB-CB 3.41Å; R279-S289 VanDerWaalsContact CD-O 3.23Å; R279-S289 WeakPolarHBondContact CD-O 3.47Å; R279-S289 PolarHBondContact NE-O 2.83Å; D282-S289 WeakPolarHBondContact OD1-CB 3.45Å; D282-S289 PolarHBondContact OD1-OG 2.8Å; G287-S289 PolarHBondContact O-N 2.66Å
290F84.6Confident85.7Confident44 Ų4466.1 Ų66.119%0.19337%0.367CS..EExtended strand (participates in β ladder)trans-118.1150.8-175.9-64.8-93.4000112R279 S280 F281 C283 K288 R292 L296 H299R279-F290 CarbonylContact C-O 3.52Å; R279-F290 WeakPolarHBondContact CA-O 3.39Å; S280-F290 PolarHBondContact N-O 3.2Å; F281-F290 HydrophobicContact CB-CB 4.28Å; F281-F290 PolarHBondContact N-O 3.07Å; F281-F290 PolarHBondContact O-N 2.99Å; C283-F290 HydrophobicContact CB-CE2 4.37Å; K288-F290 HydrophobicContact CB-CE2 3.79Å; K288-F290 HydrophobicContact CB-CZ 4.13Å; K288-F290 VanDerWaalsContact O-CD2 3.3Å; K288-F290 WeakPolarHBondContact O-CD2 3.24Å; K288-F290 WeakPolarHBondContact O-CE2 3.33Å; F290-R292 VanDerWaalsContact C-N 3.33Å; F290-L296 HydrophobicContact CB-CB 4.29Å; F290-L296 HydrophobicContact CD2-CB 4.14Å; F290-L296 HydrophobicContact CD2-CD1 3.86Å; F290-L296 HydrophobicContact CE2-CD1 4.11Å; F290-L296 HydrophobicContact CG-CB 4.31Å; F290-H299 HydrophobicContact CE1-CB 3.94Å; F290-H299 HydrophobicContact CE2-CB 4.09Å; F290-H299 AromaticContact CE2-CD2 3.15Å; F290-H299 WeakPolarHBondContact CE2-CD2 3.36Å; F290-H299 AromaticContact CE2-CG 3.68Å; F290-H299 AromaticContact CE2-NE2 3.81Å; F290-H299 HydrophobicContact CZ-CB 3.58Å; F290-H299 AromaticContact CZ-CD2 3.22Å; F290-H299 WeakPolarHBondContact CZ-CD2 3.18Å; F290-H299 AromaticContact CZ-CG 3.24Å; F290-H299 AromaticContact CZ-ND1 3.88Å; F290-H299 AromaticContact CZ-NE2 3.82Å
291K83Confident86.4Confident57 Ų5764 Ų6425%0.24835%0.349CS..SBendtrans-81.3-7.8177.9-65.6-176.1174.2-120.30113.6A273 V274 S276 R279A273-K291 VanDerWaalsContact O-CD 3.28Å; A273-K291 WeakPolarHBondContact O-CD 3.43Å; A273-K291 WeakPolarHBondContact O-CE 3.46Å; A273-K291 PolarHBondContact O-NZ 2.78Å; V274-K291 PolarHBondContact O-NZ 3.01Å; S276-K291 PolarHBondContact O-NZ 2.82Å; R279-K291 HydrophobicContact CG-CG 3.85Å
292R82.9Confident86.6Confident99 Ų9965.5 Ų65.537%0.37436%0.359SS..SBendtrans-147.2140-179.7-50.7-174.2-62173.73.1111.6Q270 F290 S294 T295 L296Q270-R292 HydrophobicContact CG-CG 4.35Å; F290-R292 VanDerWaalsContact C-N 3.33Å; R292-S294 PolarHBondContact O-N 2.97Å; R292-T295 HydrophobicContact CB-CG2 4.47Å; R292-T295 PolarHBondContact O-N 2.67Å; R292-T295 VanDerWaalsContact O-N 3.12Å; R292-T295 PolarHBondContact O-OG1 2.9Å; R292-L296 PolarHBondContact O-N 3.31Å; R292-L296 VanDerWaalsContact O-N 3.16Å
293S85.3Confident86.7Confident62 Ų6265.9 Ų65.943%0.43436%0.359SS..Hα-helixtrans-53.6-49.4173.7179.20000112F281 T295 L296 S297F281-S293 VanDerWaalsContact CD2-N 3.26Å; S293-T295 PolarHBondContact O-N 3.19Å; S293-T295 VanDerWaalsContact O-N 3.14Å; S293-L296 CarbonylContact O-C 3.41Å; S293-L296 WeakPolarHBondContact O-CA 3.5Å; S293-L296 WeakPolarHBondContact O-CB 3.33Å; S293-L296 PolarHBondContact O-N 2.88Å; S293-S297 PolarHBondContact O-N 3.11Å; S293-S297 PolarHBondContact O-OG 3.31Å
294S86.1Confident86.4Confident69 Ų6967.7 Ų67.748%0.48337%0.371SS..Hα-helixtrans-57.9-33.2179570000114R292 T298R292-S294 PolarHBondContact O-N 2.97Å; S294-T298 WeakPolarHBondContact O-CG2 3.32Å; S294-T298 PolarHBondContact O-N 2.77Å; S294-T298 VanDerWaalsContact O-N 3.07Å; S294-T298 PolarHBondContact O-OG1 3.25Å
295T87.1Confident86Confident36 Ų3666.4 Ų66.422%0.22137%0.373CS..Hα-helixtrans-73.1-35.5174.147.70000112.6R292 S293 T298 H299R292-T295 HydrophobicContact CB-CG2 4.47Å; R292-T295 PolarHBondContact O-N 2.67Å; R292-T295 VanDerWaalsContact O-N 3.12Å; R292-T295 PolarHBondContact O-OG1 2.9Å; S293-T295 PolarHBondContact O-N 3.19Å; S293-T295 VanDerWaalsContact O-N 3.14Å; T295-T298 WeakPolarHBondContact CA-OG1 3.39Å; T295-T298 PolarHBondContact O-OG1 3.23Å; T295-H299 WeakPolarHBondContact O-CB 3.4Å; T295-H299 PolarHBondContact O-N 3.48Å
296L88.3Confident85.8Confident22 Ų2264.5 Ų64.512%0.11537%0.367CS..Hα-helixtrans-63.1-47.1169.9173.761.8000110.3F281 C283 F290 R292 S293 T298 H299 L300F281-L296 HydrophobicContact CB-CB 4.07Å; F281-L296 HydrophobicContact CB-CD2 3.87Å; C283-L296 HydrophobicContact CB-CD1 3.78Å; F290-L296 HydrophobicContact CB-CB 4.29Å; F290-L296 HydrophobicContact CD2-CB 4.14Å; F290-L296 HydrophobicContact CD2-CD1 3.86Å; F290-L296 HydrophobicContact CE2-CD1 4.11Å; F290-L296 HydrophobicContact CG-CB 4.31Å; R292-L296 PolarHBondContact O-N 3.31Å; R292-L296 VanDerWaalsContact O-N 3.16Å; S293-L296 CarbonylContact O-C 3.41Å; S293-L296 WeakPolarHBondContact O-CA 3.5Å; S293-L296 WeakPolarHBondContact O-CB 3.33Å; S293-L296 PolarHBondContact O-N 2.88Å; L296-T298 PolarHBondContact O-N 2.85Å; L296-H299 CarbonylContact O-C 3.6Å; L296-H299 WeakPolarHBondContact O-CA 3.24Å; L296-H299 WeakPolarHBondContact O-CB 3.5Å; L296-H299 PolarHBondContact O-N 3.34Å; L296-L300 HydrophobicContact CD1-CD1 4.43Å; L296-L300 HydrophobicContact CD1-CD2 4.21Å; L296-L300 HydrophobicContact CD1-CG 4.04Å; L296-L300 HydrophobicContact CG-CD1 4.23Å; L296-L300 HydrophobicContact CG-CG 4.29Å; L296-L300 WeakPolarHBondContact O-CG 3.4Å; L296-L300 PolarHBondContact O-N 3.27Å
297S87.6Confident85.7Confident63 Ų6368 Ų6844%0.44137%0.374SS..Hα-helixtrans-55.7-47.2177.1-48.50000112S293 H299 L300 L301S293-S297 PolarHBondContact O-N 3.11Å; S293-S297 PolarHBondContact O-OG 3.31Å; S297-H299 PolarHBondContact O-N 2.94Å; S297-L300 PolarHBondContact O-N 3.03Å; S297-L301 PolarHBondContact O-N 3.36Å
298T88.1Confident86Confident53 Ų5368 Ų6833%0.32536%0.363SS..Hα-helixtrans-67.5-22.5175.455.80000114S294 T295 L296S294-T298 WeakPolarHBondContact O-CG2 3.32Å; S294-T298 PolarHBondContact O-N 2.77Å; S294-T298 VanDerWaalsContact O-N 3.07Å; S294-T298 PolarHBondContact O-OG1 3.25Å; T295-T298 WeakPolarHBondContact CA-OG1 3.39Å; T295-T298 PolarHBondContact O-OG1 3.23Å; L296-T298 PolarHBondContact O-N 2.85Å
299H89Confident86.4Confident18 Ų1865.3 Ų65.38%0.08335%0.35CS..Hα-helixtrans-82.1-35.7175.5166.957.3000112.1C286 F290 T295 L296 S297 L301 I302 H303C286-H299 PolarHBondContact SG-NE2 2.86Å; F290-H299 HydrophobicContact CE1-CB 3.94Å; F290-H299 HydrophobicContact CE2-CB 4.09Å; F290-H299 AromaticContact CE2-CD2 3.15Å; F290-H299 WeakPolarHBondContact CE2-CD2 3.36Å; F290-H299 AromaticContact CE2-CG 3.68Å; F290-H299 AromaticContact CE2-NE2 3.81Å; F290-H299 HydrophobicContact CZ-CB 3.58Å; F290-H299 AromaticContact CZ-CD2 3.22Å; F290-H299 WeakPolarHBondContact CZ-CD2 3.18Å; F290-H299 AromaticContact CZ-CG 3.24Å; F290-H299 AromaticContact CZ-ND1 3.88Å; F290-H299 AromaticContact CZ-NE2 3.82Å; T295-H299 WeakPolarHBondContact O-CB 3.4Å; T295-H299 PolarHBondContact O-N 3.48Å; L296-H299 CarbonylContact O-C 3.6Å; L296-H299 WeakPolarHBondContact O-CA 3.24Å; L296-H299 WeakPolarHBondContact O-CB 3.5Å; L296-H299 PolarHBondContact O-N 3.34Å; S297-H299 PolarHBondContact O-N 2.94Å; H299-L301 PolarHBondContact O-N 2.83Å; H299-I302 VanDerWaalsContact O-CB 3.25Å; H299-I302 WeakPolarHBondContact O-CB 3.47Å; H299-I302 WeakPolarHBondContact O-CG1 3.41Å; H299-I302 PolarHBondContact O-N 3.49Å; H299-H303 AromaticContact CE1-CD2 3.91Å; H299-H303 AromaticContact CE1-NE2 3.5Å; H299-H303 PolarHBondContact CE1-NE2 2.68Å; H299-H303 AromaticContact NE2-CD2 3.81Å; H299-H303 AromaticContact NE2-NE2 3.45Å; H299-H303 PolarHBondContact NE2-NE2 3.34Å
300L88.8Confident86.7Confident70 Ų7066 Ų6637%0.36635%0.353SS..Hα-helixtrans-59.7-28.2173.6-68.5173.9000111.7L296 S297 I302 H303 S304L296-L300 HydrophobicContact CD1-CD1 4.43Å; L296-L300 HydrophobicContact CD1-CD2 4.21Å; L296-L300 HydrophobicContact CD1-CG 4.04Å; L296-L300 HydrophobicContact CG-CD1 4.23Å; L296-L300 HydrophobicContact CG-CG 4.29Å; L296-L300 WeakPolarHBondContact O-CG 3.4Å; L296-L300 PolarHBondContact O-N 3.27Å; S297-L300 PolarHBondContact O-N 3.03Å; L300-I302 PolarHBondContact O-N 3.49Å; L300-I302 VanDerWaalsContact O-N 3.11Å; L300-H303 PolarHBondContact O-N 2.95Å; L300-S304 PolarHBondContact O-N 2.95Å; L300-S304 VanDerWaalsContact O-N 3.11Å
301L88.9Confident87.2Confident40 Ų4064 Ų6421%0.20934%0.344CS..Hα-helixtrans-56-24.5169.9-61.9177.6000113.5S297 H299 S304 T306 P308 H319S297-L301 PolarHBondContact O-N 3.36Å; H299-L301 PolarHBondContact O-N 2.83Å; L301-S304 WeakPolarHBondContact CA-OG 3.34Å; L301-S304 PolarHBondContact O-OG 2.79Å; L301-T306 WeakPolarHBondContact CD2-OG1 3.17Å; L301-P308 HydrophobicContact CD1-CG 4.29Å; L301-H319 HydrophobicContact CB-CB 4.11Å; L301-H319 WeakPolarHBondContact CD1-O 3.15Å; L301-H319 PolarHBondContact O-CE1 3.2Å; L301-H319 PolarHBondContact O-ND1 2.99Å
302I87.1Confident87.6Confident104 Ų10470 Ų7053%0.53337%0.373SS..Hα-helixtrans-77.6-27176.7-54.4177.6000111.4H299 L300H299-I302 VanDerWaalsContact O-CB 3.25Å; H299-I302 WeakPolarHBondContact O-CB 3.47Å; H299-I302 WeakPolarHBondContact O-CG1 3.41Å; H299-I302 PolarHBondContact O-N 3.49Å; L300-I302 PolarHBondContact O-N 3.49Å; L300-I302 VanDerWaalsContact O-N 3.11Å
303H86.2Confident88Confident74 Ų7471.8 Ų71.834%0.34338%0.381SS..Hα-helixtrans-86.7-18.2176.5-71.3-64.4000113.1C283 I285 C286 H299 L300C283-H303 VanDerWaalsContact SG-CD2 3.59Å; I285-H303 HydrophobicContact CD1-CB 3.56Å; I285-H303 HydrophobicContact CG2-CB 4.44Å; I285-H303 WeakPolarHBondContact CG2-ND1 3.5Å; C286-H303 PolarHBondContact SG-NE2 3.12Å; H299-H303 AromaticContact CE1-CD2 3.91Å; H299-H303 AromaticContact CE1-NE2 3.5Å; H299-H303 PolarHBondContact CE1-NE2 2.68Å; H299-H303 AromaticContact NE2-CD2 3.81Å; H299-H303 AromaticContact NE2-NE2 3.45Å; H299-H303 PolarHBondContact NE2-NE2 3.34Å; L300-H303 PolarHBondContact O-N 2.95Å
304S82.1Confident88.4Confident38 Ų3871.3 Ų71.327%0.26638%0.377SS..SBendtrans-91.7154.4165.673.20000110.6L300 L301 T306L300-S304 PolarHBondContact O-N 2.95Å; L300-S304 VanDerWaalsContact O-N 3.11Å; L301-S304 WeakPolarHBondContact CA-OG 3.34Å; L301-S304 PolarHBondContact O-OG 2.79Å; S304-T306 PolarHBondContact O-N 3.2Å; S304-T306 VanDerWaalsContact O-N 3.12Å; S304-T306 WeakPolarHBondContact OG-CB 3.36Å; S304-T306 PolarHBondContact OG-N 3.36Å; S304-T306 PolarHBondContact OG-OG1 3.35Å
305D78.6Confident88.5Confident158 Ų15870.3 Ų70.385%0.84538%0.378SS*.SBendtrans-73.23.6165.9-66.1-57.8000113.3R307D305-R307 PolarHBondContact O-N 3.29Å
306T83.3Confident88.8Confident77 Ų7774.3 Ų74.347%0.47239%0.392SS..  trans-72.5116.1179.776.90000111.9L301 S304 H319L301-T306 WeakPolarHBondContact CD2-OG1 3.17Å; S304-T306 PolarHBondContact O-N 3.2Å; S304-T306 VanDerWaalsContact O-N 3.12Å; S304-T306 WeakPolarHBondContact OG-CB 3.36Å; S304-T306 PolarHBondContact OG-N 3.36Å; S304-T306 PolarHBondContact OG-OG1 3.35Å; T306-H319 PolarHBondContact O-ND1 3.04Å
307R88.4Confident89Confident120 Ų12079.3 Ų79.345%0.45341%0.41SS..  trans-121.484.9174.9-69.9165.5177.4-117.63.1108.1D305 Y309 R317 F318 H319D305-R307 PolarHBondContact O-N 3.29Å; R307-Y309 PolarHBondContact O-N 3.13Å; R307-R317 HydrophobicContact CB-CB 3.44Å; R307-R317 VanDerWaalsContact CB-CB 3.44Å; R307-R317 WeakPolarHBondContact CD-O 3.48Å; R307-R317 HydrophobicContact CG-CB 4.4Å; R307-R317 PolarHBondContact NH1-O 2.89Å; R307-R317 PolarHBondContact O-NE 3.14Å; R307-R317 PolarHBondContact O-NH2 2.95Å; R307-F318 CarbonylContact C-O 3.23Å; R307-H319 WeakPolarHBondContact CG-CE1 3.36Å; R307-H319 PolarHBondContact NE-NE2 3.17Å
308P89.3Confident89.1Confident59 Ų5978.5 Ų78.538%0.38340%0.398SS..  trans-67.8-16.8-168.621.8-31.3000114.5L301 P310L301-P308 HydrophobicContact CD1-CG 4.29Å; P308-P310 WeakPolarHBondContact O-CD 3.49Å
309Y93.5Very high89.2Confident66 Ų6677.5 Ų77.526%0.25939%0.39SS..EExtended strand (participates in β ladder)trans-108.493.9-174.4-52.9-70.2000112.3R307 R317 F318 H319 K321R307-Y309 PolarHBondContact O-N 3.13Å; Y309-R317 WeakPolarHBondContact O-CA 3.48Å; Y309-F318 PolarHBondContact N-O 3.16Å; Y309-F318 VanDerWaalsContact N-O 3.15Å; Y309-F318 PolarHBondContact O-N 3.14Å; Y309-H319 WeakPolarHBondContact CE2-O 3.21Å; Y309-K321 HydrophobicContact CD1-CB 3.82Å; Y309-K321 HydrophobicContact CD1-CG 4.3Å; Y309-K321 HydrophobicContact CD2-CB 4.36Å; Y309-K321 HydrophobicContact CE1-CB 3.78Å; Y309-K321 HydrophobicContact CE1-CD 4.4Å; Y309-K321 HydrophobicContact CE1-CG 4.41Å; Y309-K321 HydrophobicContact CE2-CB 4.3Å; Y309-K321 HydrophobicContact CG-CB 4.11Å
310P93Very high89.3Confident56 Ų5680.3 Ų80.336%0.36440%0.403SS..EExtended strand (participates in β ladder)trans-74.1147.7171.531.9-35.1000111.9P308 R317P308-P310 WeakPolarHBondContact O-CD 3.49Å; P310-R317 HydrophobicContact CB-CG 4.26Å
311C94.3Very high89.4Confident2 Ų283.7 Ų83.71%0.01442%0.415CS..  trans-79.7127.8164.3-178.50000109.8Y313 C314 G315 K316 F318 H327C311-Y313 VanDerWaalsContact C-N 3.3Å; C311-Y313 PolarHBondContact O-N 3.15Å; C311-C314 VanDerWaalsContact SG-SG 3.68Å; C311-G315 WeakPolarHBondContact O-CA 3.27Å; C311-G315 PolarHBondContact O-N 2.99Å; C311-K316 WeakPolarHBondContact CB-O 3.18Å; C311-K316 PolarHBondContact N-O 3.15Å; C311-F318 HydrophobicContact CB-CE2 4.25Å; C311-H327 VanDerWaalsContact SG-CD2 3.53Å
312Q92.6Very high89.5Confident184 Ų18484.3 Ų84.386%0.8642%0.423SS*.THydrogen-bonded Turntrans-66.8-28.2-179.6-70.4177-33.700113.4
313Y91.3Very high89.8Confident137 Ų13782.1 Ų82.154%0.53741%0.412SS..THydrogen-bonded Turntrans-82.8-24.9-176.6-58.9-78.2000114.6C311 T328 H331 T332C311-Y313 VanDerWaalsContact C-N 3.3Å; C311-Y313 PolarHBondContact O-N 3.15Å; Y313-T328 HydrophobicContact CD2-CG2 4.2Å; Y313-T328 HydrophobicContact CE2-CG2 4.09Å; Y313-H331 VanDerWaalsContact CB-CG 3.45Å; Y313-H331 HydrophobicContact CD1-CB 4.13Å; Y313-H331 HydrophobicContact CD2-CB 3.69Å; Y313-H331 AromaticContact CD2-CD2 3.88Å; Y313-H331 AromaticContact CD2-CG 3.86Å; Y313-H331 HydrophobicContact CE2-CB 4.23Å; Y313-H331 HydrophobicContact CG-CB 3.64Å; Y313-H331 AromaticContact CG-CG 3.73Å; Y313-T332 HydrophobicContact CE2-CG2 4.34Å
314C92.8Very high90.2Very high51 Ų5180.3 Ų80.335%0.34540%0.404SS..THydrogen-bonded Turntrans-147.611.3-170.969.40000115.3C311 K316 H327 H331C311-C314 VanDerWaalsContact SG-SG 3.68Å; C314-K316 PolarHBondContact O-N 2.97Å; C314-H327 PolarHBondContact SG-NE2 3.22Å; C314-H331 PolarHBondContact SG-NE2 2.95Å; C314-H331 VanDerWaalsContact SG-NE2 3.35Å
315G88.6Confident90.7Very high49 Ų4985.1 Ų85.151%0.50542%0.42SS..  trans68.2-15.6178.600000116.3C311 R317C311-G315 WeakPolarHBondContact O-CA 3.27Å; C311-G315 PolarHBondContact O-N 2.99Å; G315-R317 WeakPolarHBondContact O-CG 3.44Å; G315-R317 PolarHBondContact O-N 3.29Å
316K92.6Very high91.3Very high120 Ų12081.7 Ų81.752%0.52240%0.398SS..  trans-53.5127.8-177.9-70.3-176-179.9-177.20111.1C311 C314 F318C311-K316 WeakPolarHBondContact CB-O 3.18Å; C311-K316 PolarHBondContact N-O 3.15Å; C314-K316 PolarHBondContact O-N 2.97Å; K316-F318 HydrophobicContact CB-CE2 4.13Å; K316-F318 HydrophobicContact CB-CZ 4.4Å; K316-F318 WeakPolarHBondContact O-CD2 3.42Å; K316-F318 VanDerWaalsContact O-CE2 3.27Å; K316-F318 WeakPolarHBondContact O-CE2 3.31Å
317R92.1Very high91.8Very high126 Ų12679.3 Ų79.348%0.47538%0.381SS..EExtended strand (participates in β ladder)trans-105.4139.5-171.9-50.3-171.965.2113.32.6112.8R307 Y309 P310 G315R307-R317 HydrophobicContact CB-CB 3.44Å; R307-R317 VanDerWaalsContact CB-CB 3.44Å; R307-R317 WeakPolarHBondContact CD-O 3.48Å; R307-R317 HydrophobicContact CG-CB 4.4Å; R307-R317 PolarHBondContact NH1-O 2.89Å; R307-R317 PolarHBondContact O-NE 3.14Å; R307-R317 PolarHBondContact O-NH2 2.95Å; Y309-R317 WeakPolarHBondContact O-CA 3.48Å; P310-R317 HydrophobicContact CB-CG 4.26Å; G315-R317 WeakPolarHBondContact O-CG 3.44Å; G315-R317 PolarHBondContact O-N 3.29Å
318F91.6Very high92Very high46 Ų4674.9 Ų74.920%0.20237%0.367CS..EExtended strand (participates in β ladder)trans-123.1152.9-175.6-60.1-93.4000111.8R307 Y309 C311 K316 D323 M324 H327R307-F318 CarbonylContact C-O 3.23Å; Y309-F318 PolarHBondContact N-O 3.16Å; Y309-F318 VanDerWaalsContact N-O 3.15Å; Y309-F318 PolarHBondContact O-N 3.14Å; C311-F318 HydrophobicContact CB-CE2 4.25Å; K316-F318 HydrophobicContact CB-CE2 4.13Å; K316-F318 HydrophobicContact CB-CZ 4.4Å; K316-F318 WeakPolarHBondContact O-CD2 3.42Å; K316-F318 VanDerWaalsContact O-CE2 3.27Å; K316-F318 WeakPolarHBondContact O-CE2 3.31Å; F318-D323 HydrophobicContact CD1-CB 4.29Å; F318-M324 HydrophobicContact CB-CB 4.07Å; F318-M324 HydrophobicContact CD2-CB 3.68Å; F318-M324 HydrophobicContact CD2-CG 3.88Å; F318-M324 HydrophobicContact CE2-CB 4.44Å; F318-M324 HydrophobicContact CE2-CG 4.41Å; F318-M324 HydrophobicContact CG-CB 3.97Å; F318-H327 HydrophobicContact CE1-CB 4.01Å; F318-H327 HydrophobicContact CE2-CB 4.05Å; F318-H327 AromaticContact CE2-CD2 3.59Å; F318-H327 AromaticContact CE2-CG 3.86Å; F318-H327 HydrophobicContact CZ-CB 3.5Å; F318-H327 AromaticContact CZ-CD2 3.51Å; F318-H327 AromaticContact CZ-CG 3.33Å; F318-H327 AromaticContact CZ-ND1 3.92Å
319H90.3Very high92.1Very high33 Ų3373.7 Ų73.715%0.15336%0.356CS..SBendtrans-80.6-16.8174.3-53.9-79.1000113.1L301 T306 R307 Y309L301-H319 HydrophobicContact CB-CB 4.11Å; L301-H319 WeakPolarHBondContact CD1-O 3.15Å; L301-H319 PolarHBondContact O-CE1 3.2Å; L301-H319 PolarHBondContact O-ND1 2.99Å; T306-H319 PolarHBondContact O-ND1 3.04Å; R307-H319 WeakPolarHBondContact CG-CE1 3.36Å; R307-H319 PolarHBondContact NE-NE2 3.17Å; Y309-H319 WeakPolarHBondContact CE2-O 3.21Å
320Q90.8Very high92Very high77 Ų7776.2 Ų76.236%0.3637%0.373SS..  trans-132.4139.1176.9-56.3-171.417.900112.7S322 D323 M324Q320-S322 VanDerWaalsContact C-N 3.26Å; Q320-S322 WeakPolarHBondContact CB-OG 3.42Å; Q320-S322 PolarHBondContact O-N 2.84Å; Q320-S322 PolarHBondContact OE1-OG 3.44Å; Q320-D323 PolarHBondContact O-N 3.11Å; Q320-M324 PolarHBondContact O-N 2.79Å; Q320-M324 VanDerWaalsContact O-N 3.12Å
321K91.2Very high91.9Very high141 Ų14177.2 Ų77.261%0.61337%0.372SS*.Hα-helixtrans-61.1-33.8175.9-173170.6-179.6171.40112.6Y309 M324 K325Y309-K321 HydrophobicContact CD1-CB 3.82Å; Y309-K321 HydrophobicContact CD1-CG 4.3Å; Y309-K321 HydrophobicContact CD2-CB 4.36Å; Y309-K321 HydrophobicContact CE1-CB 3.78Å; Y309-K321 HydrophobicContact CE1-CD 4.4Å; Y309-K321 HydrophobicContact CE1-CG 4.41Å; Y309-K321 HydrophobicContact CE2-CB 4.3Å; Y309-K321 HydrophobicContact CG-CB 4.11Å; K321-M324 HydrophobicContact CG-CE 4.38Å; K321-K325 WeakPolarHBondContact O-CB 3.35Å; K321-K325 PolarHBondContact O-N 3.18Å
322S90.9Very high91.7Very high53 Ų5379.8 Ų79.837%0.37139%0.388SS..Hα-helixtrans-60.8-42.6174.846.40000112.4Q320 K325 K326Q320-S322 VanDerWaalsContact C-N 3.26Å; Q320-S322 WeakPolarHBondContact CB-OG 3.42Å; Q320-S322 PolarHBondContact O-N 2.84Å; Q320-S322 PolarHBondContact OE1-OG 3.44Å; S322-K325 PolarHBondContact O-N 2.99Å; S322-K326 WeakPolarHBondContact O-CG 3.27Å; S322-K326 PolarHBondContact O-N 3.34Å
323D91.8Very high91.6Very high58 Ų5873.2 Ų73.231%0.3137%0.37SS..Hα-helixtrans-78.7-36.4-178.2-62.9-34.4000111.7F318 Q320 K325 K326 H327F318-D323 HydrophobicContact CD1-CB 4.29Å; Q320-D323 PolarHBondContact O-N 3.11Å; D323-K325 VanDerWaalsContact C-N 3.34Å; D323-K325 PolarHBondContact O-N 3.02Å; D323-K326 PolarHBondContact O-N 3.19Å; D323-K326 IonicContact OD1-NZ 2.72Å; D323-K326 PolarHBondContact OD1-NZ 3.38Å; D323-H327 WeakPolarHBondContact O-CB 3.45Å; D323-H327 PolarHBondContact O-N 3.02Å
324M94.6Very high91.5Very high36 Ų3672 Ų7218%0.17737%0.369CS..Hα-helixtrans-56.7-47.1167-175.9-79.5-70.300111.1F318 Q320 K321 K326 H327 T328F318-M324 HydrophobicContact CB-CB 4.07Å; F318-M324 HydrophobicContact CD2-CB 3.68Å; F318-M324 HydrophobicContact CD2-CG 3.88Å; F318-M324 HydrophobicContact CE2-CB 4.44Å; F318-M324 HydrophobicContact CE2-CG 4.41Å; F318-M324 HydrophobicContact CG-CB 3.97Å; Q320-M324 PolarHBondContact O-N 2.79Å; Q320-M324 VanDerWaalsContact O-N 3.12Å; K321-M324 HydrophobicContact CG-CE 4.38Å; M324-K326 PolarHBondContact O-N 2.93Å; M324-H327 WeakPolarHBondContact O-CA 3.39Å; M324-H327 WeakPolarHBondContact O-CB 3.5Å; M324-H327 PolarHBondContact O-N 3.07Å; M324-T328 PolarHBondContact O-N 3.48Å; M324-T328 HydrophobicContact SD-CG2 3.85Å
325K92.5Very high91.5Very high138 Ų13875.2 Ų75.260%0.638%0.377SS*.Hα-helixtrans-65.3-32.5176.9-176.2171-178.7174.30113.7K321 S322 D323 H327 T328K321-K325 WeakPolarHBondContact O-CB 3.35Å; K321-K325 PolarHBondContact O-N 3.18Å; S322-K325 PolarHBondContact O-N 2.99Å; D323-K325 VanDerWaalsContact C-N 3.34Å; D323-K325 PolarHBondContact O-N 3.02Å; K325-H327 VanDerWaalsContact C-N 3.3Å; K325-T328 PolarHBondContact O-OG1 2.99Å
326K91.8Very high91.6Very high87 Ų8776.6 Ų76.638%0.37838%0.377SS..Hα-helixtrans-68.8-32.2171-68165.8-155.1161.50111.7S322 D323 M324 F329S322-K326 WeakPolarHBondContact O-CG 3.27Å; S322-K326 PolarHBondContact O-N 3.34Å; D323-K326 PolarHBondContact O-N 3.19Å; D323-K326 IonicContact OD1-NZ 2.72Å; D323-K326 PolarHBondContact OD1-NZ 3.38Å; M324-K326 PolarHBondContact O-N 2.93Å; K326-F329 WeakPolarHBondContact O-CD2 3.38Å
327H93.1Very high91.6Very high27 Ų2773.9 Ų73.913%0.12537%0.366CS..Hα-helixtrans-73.1-33.2177.8172.170000112.6C311 C314 F318 D323 M324 K325 F329 I330 H331C311-H327 VanDerWaalsContact SG-CD2 3.53Å; C314-H327 PolarHBondContact SG-NE2 3.22Å; F318-H327 HydrophobicContact CE1-CB 4.01Å; F318-H327 HydrophobicContact CE2-CB 4.05Å; F318-H327 AromaticContact CE2-CD2 3.59Å; F318-H327 AromaticContact CE2-CG 3.86Å; F318-H327 HydrophobicContact CZ-CB 3.5Å; F318-H327 AromaticContact CZ-CD2 3.51Å; F318-H327 AromaticContact CZ-CG 3.33Å; F318-H327 AromaticContact CZ-ND1 3.92Å; D323-H327 WeakPolarHBondContact O-CB 3.45Å; D323-H327 PolarHBondContact O-N 3.02Å; M324-H327 WeakPolarHBondContact O-CA 3.39Å; M324-H327 WeakPolarHBondContact O-CB 3.5Å; M324-H327 PolarHBondContact O-N 3.07Å; K325-H327 VanDerWaalsContact C-N 3.3Å; H327-F329 PolarHBondContact O-N 2.88Å; H327-I330 WeakPolarHBondContact O-CB 3.38Å; H327-I330 WeakPolarHBondContact O-CG1 3.33Å; H327-I330 PolarHBondContact O-N 3.42Å; H327-H331 AromaticContact CD2-NE2 3.87Å; H327-H331 AromaticContact CE1-NE2 3.56Å; H327-H331 AromaticContact NE2-CD2 3.82Å; H327-H331 AromaticContact NE2-NE2 3.04Å; H327-H331 PolarHBondContact NE2-NE2 3.5Å
328T92.6Very high91.7Very high26 Ų2674.7 Ų74.716%0.1637%0.373CS..Hα-helixtrans-60.2-27177.452.70000113.3Y313 M324 K325 I330 H331 T332Y313-T328 HydrophobicContact CD2-CG2 4.2Å; Y313-T328 HydrophobicContact CE2-CG2 4.09Å; M324-T328 PolarHBondContact O-N 3.48Å; M324-T328 HydrophobicContact SD-CG2 3.85Å; K325-T328 PolarHBondContact O-OG1 2.99Å; T328-I330 PolarHBondContact O-N 3.32Å; T328-I330 VanDerWaalsContact O-N 3.13Å; T328-H331 PolarHBondContact O-N 3.17Å; T328-T332 PolarHBondContact O-N 2.73Å; T328-T332 PolarHBondContact O-OG1 3.24Å
329F92.8Very high91.8Very high35 Ų3572.7 Ų72.715%0.15437%0.365CS..Hα-helixtrans-60.6-17.9173.1-59.4-36.4000114.6K326 H327 G333 E334 S347K326-F329 WeakPolarHBondContact O-CD2 3.38Å; H327-F329 PolarHBondContact O-N 2.88Å; F329-G333 WeakPolarHBondContact O-CA 3.43Å; F329-G333 PolarHBondContact O-N 3.23Å; F329-E334 HydrophobicContact CD1-CB 3.83Å; F329-E334 WeakPolarHBondContact CD1-OE2 3.46Å; F329-E334 HydrophobicContact CE1-CB 4.4Å; F329-E334 WeakPolarHBondContact CE1-OE2 3.13Å; F329-S347 WeakPolarHBondContact CD2-O 3.4Å
330I91.8Very high91.9Very high119 Ų11979.8 Ų79.861%0.6140%0.398SS*.Hα-helixtrans-73.1-36.3172.5-57.9179.9000110.3H327 T328H327-I330 WeakPolarHBondContact O-CB 3.38Å; H327-I330 WeakPolarHBondContact O-CG1 3.33Å; H327-I330 PolarHBondContact O-N 3.42Å; T328-I330 PolarHBondContact O-N 3.32Å; T328-I330 VanDerWaalsContact O-N 3.13Å
331H91.1Very high91.9Very high76 Ų7681.3 Ų81.335%0.35241%0.412SS..Hα-helixtrans-83.2-40.2-179.6-58.6-74.4000112.4Y313 C314 H327 T328 G333Y313-H331 VanDerWaalsContact CB-CG 3.45Å; Y313-H331 HydrophobicContact CD1-CB 4.13Å; Y313-H331 HydrophobicContact CD2-CB 3.69Å; Y313-H331 AromaticContact CD2-CD2 3.88Å; Y313-H331 AromaticContact CD2-CG 3.86Å; Y313-H331 HydrophobicContact CE2-CB 4.23Å; Y313-H331 HydrophobicContact CG-CB 3.64Å; Y313-H331 AromaticContact CG-CG 3.73Å; C314-H331 PolarHBondContact SG-NE2 2.95Å; C314-H331 VanDerWaalsContact SG-NE2 3.35Å; H327-H331 AromaticContact CD2-NE2 3.87Å; H327-H331 AromaticContact CE1-NE2 3.56Å; H327-H331 AromaticContact NE2-CD2 3.82Å; H327-H331 AromaticContact NE2-NE2 3.04Å; H327-H331 PolarHBondContact NE2-NE2 3.5Å; T328-H331 PolarHBondContact O-N 3.17Å; H331-G333 VanDerWaalsContact C-N 3.31Å
332T89.6Confident92Very high57 Ų5777 Ų7735%0.3540%0.4SS..Hα-helixtrans-80.4-12.3178.662.20000113.3Y313 T328 E334Y313-T332 HydrophobicContact CE2-CG2 4.34Å; T328-T332 PolarHBondContact O-N 2.73Å; T328-T332 PolarHBondContact O-OG1 3.24Å; T332-E334 PolarHBondContact O-N 3.07Å; T332-E334 VanDerWaalsContact O-N 3.11Å; T332-E334 WeakPolarHBondContact OG1-CB 3.45Å; T332-E334 WeakPolarHBondContact OG1-CG 3.28Å; T332-E334 PolarHBondContact OG1-N 3.06Å
333G89.6Confident92Very high45 Ų4577.2 Ų77.246%0.46441%0.41SS..  trans66.73.7-173.300000114.5F329 H331 K335F329-G333 WeakPolarHBondContact O-CA 3.43Å; F329-G333 PolarHBondContact O-N 3.23Å; H331-G333 VanDerWaalsContact C-N 3.31Å; G333-K335 PolarHBondContact O-N 3.21Å
334E90.4Very high92Very high111 Ų11180.7 Ų80.752%0.51942%0.422SS..  trans-61.6124.9-175.8-77178.7166.400112F329 T332 P336F329-E334 HydrophobicContact CD1-CB 3.83Å; F329-E334 WeakPolarHBondContact CD1-OE2 3.46Å; F329-E334 HydrophobicContact CE1-CB 4.4Å; F329-E334 WeakPolarHBondContact CE1-OE2 3.13Å; T332-E334 PolarHBondContact O-N 3.07Å; T332-E334 VanDerWaalsContact O-N 3.11Å; T332-E334 WeakPolarHBondContact OG1-CB 3.45Å; T332-E334 WeakPolarHBondContact OG1-CG 3.28Å; T332-E334 PolarHBondContact OG1-N 3.06Å; E334-P336 WeakPolarHBondContact O-CD 3.47Å
335K91.6Very high91.9Very high120 Ų12080.6 Ų80.652%0.52243%0.427SS..  trans-125.872.8-179.8-71.2167.1-175.4175.90109.9G333 H337 A345 F346G333-K335 PolarHBondContact O-N 3.21Å; K335-H337 PolarHBondContact O-N 2.7Å; K335-H337 VanDerWaalsContact O-N 3.15Å; K335-A345 HydrophobicContact CB-CB 3.54Å; K335-A345 HydrophobicContact CD-CB 4.29Å; K335-A345 HydrophobicContact CG-CB 4.47Å; K335-F346 CarbonylContact C-O 3.35Å; K335-F346 VanDerWaalsContact C-O 3.28Å; K335-F346 WeakPolarHBondContact CA-O 3.23Å
336P90.6Very high91.9Very high78 Ų7876.2 Ų76.251%0.50641%0.408SS..  trans-65.7-15.7-173.425.5-35000114.2E334E334-P336 WeakPolarHBondContact O-CD 3.47Å
337H93.2Very high91.9Very high63 Ų6373.6 Ų73.629%0.29240%0.401SS..EExtended strand (participates in β ladder)trans-103.691.1-176-57.6-63.6000111.2K335 F346 S349 L352K335-H337 PolarHBondContact O-N 2.7Å; K335-H337 VanDerWaalsContact O-N 3.15Å; H337-F346 HydrophobicContact CB-CB 4.4Å; H337-F346 WeakPolarHBondContact CB-O 3.48Å; H337-F346 PolarHBondContact N-O 3.14Å; H337-F346 PolarHBondContact O-N 2.81Å; H337-S349 PolarHBondContact CD2-N 3.22Å; H337-S349 PolarHBondContact NE2-N 3.31Å; H337-L352 HydrophobicContact CB-CB 4.06Å; H337-L352 HydrophobicContact CB-CD2 3.86Å
338K93.5Very high91.8Very high142 Ų14275.6 Ų75.662%0.61741%0.411SS*.EExtended strand (participates in β ladder)trans-87.3138.9178.1-61.9-175.7179.9-1800112.2A345K338-A345 HydrophobicContact CG-CB 3.92Å
339C94.1Very high91.8Very high5 Ų577.4 Ų77.43%0.03442%0.424CS..  trans-83.4121.9171.1-173.30000110.2V341 G343 K344 F346 L352 H359C339-V341 VanDerWaalsContact C-N 3.28Å; C339-V341 PolarHBondContact O-N 3.26Å; C339-G343 VanDerWaalsContact O-CA 3.23Å; C339-G343 WeakPolarHBondContact O-CA 3.09Å; C339-G343 PolarHBondContact O-N 3.15Å; C339-K344 WeakPolarHBondContact CB-O 3.25Å; C339-K344 PolarHBondContact N-O 2.92Å; C339-F346 HydrophobicContact CB-CE2 4.45Å; C339-L352 HydrophobicContact CB-CD1 3.56Å; C339-H359 PolarHBondContact SG-NE2 2.92Å
340Q92.3Very high91.7Very high182 Ų18278.3 Ų78.385%0.8544%0.435SS*.THydrogen-bonded Turntrans-70.8-22.6-178.4-55.5-58.2-1200113.5
341V91.5Very high91.8Very high108 Ų10875.9 Ų75.966%0.65542%0.423SS*.THydrogen-bonded Turntrans-79.3-32.7-177.9-177.70000112.5C339 H359C339-V341 VanDerWaalsContact C-N 3.28Å; C339-V341 PolarHBondContact O-N 3.26Å; V341-H359 HydrophobicContact CG1-CB 4.24Å
342C92.7Very high91.9Very high52 Ų5274 Ų7435%0.35142%0.415SS..THydrogen-bonded Turntrans-138.712-171.669.70000114.5K344 H355 H359C342-K344 PolarHBondContact O-N 2.85Å; C342-H355 PolarHBondContact SG-NE2 2.56Å; C342-H359 PolarHBondContact SG-NE2 3.16Å; C342-H359 VanDerWaalsContact SG-NE2 3.4Å
343G90.2Very high92Very high56 Ų5675.6 Ų75.658%0.57742%0.421SS*.  trans68.2-15.4-178.800000116.3C339 A345C339-G343 VanDerWaalsContact O-CA 3.23Å; C339-G343 WeakPolarHBondContact O-CA 3.09Å; C339-G343 PolarHBondContact O-N 3.15Å; G343-A345 PolarHBondContact O-N 3.48Å
344K92.6Very high92.1Very high131 Ų13175.3 Ų75.357%0.5741%0.41SS*.  trans-60.2127.9-172-68-172.9178.6-1730112.1C339 C342 F346C339-K344 WeakPolarHBondContact CB-O 3.25Å; C339-K344 PolarHBondContact N-O 2.92Å; C342-K344 PolarHBondContact O-N 2.85Å; K344-F346 HydrophobicContact CB-CE2 4.07Å; K344-F346 HydrophobicContact CB-CZ 4.16Å; K344-F346 WeakPolarHBondContact O-CE2 3.49Å
345A93.4Very high92.2Very high35 Ų3571.2 Ų71.229%0.28939%0.391SS..EExtended strand (participates in β ladder)trans-102.5143.2-17500000112.3K335 K338 G343K335-A345 HydrophobicContact CB-CB 3.54Å; K335-A345 HydrophobicContact CD-CB 4.29Å; K335-A345 HydrophobicContact CG-CB 4.47Å; K338-A345 HydrophobicContact CG-CB 3.92Å; G343-A345 PolarHBondContact O-N 3.48Å
346F91.3Very high92.2Very high45 Ų4567.6 Ų67.620%0.19738%0.381CS..EExtended strand (participates in β ladder)trans-130.4147.4-177.9-58.4-86000111.7K335 H337 C339 K344 Q348 N351 L352 H355K335-F346 CarbonylContact C-O 3.35Å; K335-F346 VanDerWaalsContact C-O 3.28Å; K335-F346 WeakPolarHBondContact CA-O 3.23Å; H337-F346 HydrophobicContact CB-CB 4.4Å; H337-F346 WeakPolarHBondContact CB-O 3.48Å; H337-F346 PolarHBondContact N-O 3.14Å; H337-F346 PolarHBondContact O-N 2.81Å; C339-F346 HydrophobicContact CB-CE2 4.45Å; K344-F346 HydrophobicContact CB-CE2 4.07Å; K344-F346 HydrophobicContact CB-CZ 4.16Å; K344-F346 WeakPolarHBondContact O-CE2 3.49Å; F346-Q348 VanDerWaalsContact C-N 3.32Å; F346-N351 HydrophobicContact CB-CB 4.21Å; F346-N351 HydrophobicContact CD1-CB 3.94Å; F346-N351 HydrophobicContact CG-CB 4.28Å; F346-L352 HydrophobicContact CB-CB 4.48Å; F346-L352 HydrophobicContact CD2-CB 3.97Å; F346-L352 HydrophobicContact CD2-CD1 3.96Å; F346-L352 HydrophobicContact CE2-CD1 4.13Å; F346-L352 HydrophobicContact CG-CB 4.45Å; F346-H355 HydrophobicContact CE1-CB 4.19Å; F346-H355 HydrophobicContact CE2-CB 3.86Å; F346-H355 AromaticContact CE2-CD2 3.64Å; F346-H355 AromaticContact CE2-CG 3.66Å; F346-H355 HydrophobicContact CZ-CB 3.54Å; F346-H355 AromaticContact CZ-CD2 3.73Å; F346-H355 AromaticContact CZ-CG 3.32Å; F346-H355 AromaticContact CZ-ND1 3.66Å
347S91.8Very high92.3Very high33 Ų3366.5 Ų66.523%0.23137%0.367CS..SBendtrans-77.5-13.3174.853.90000113.9F329F329-S347 WeakPolarHBondContact CD2-O 3.4Å
348Q92.3Very high92.1Very high69 Ų6970.1 Ų70.132%0.32238%0.381SS..SBendtrans-137139.4179.9-58.9-174.14.200111.8F346 S350 N351 L352F346-Q348 VanDerWaalsContact C-N 3.32Å; Q348-S350 VanDerWaalsContact C-N 3.32Å; Q348-S350 PolarHBondContact O-N 2.94Å; Q348-S350 PolarHBondContact OE1-OG 2.81Å; Q348-N351 HydrophobicContact CB-CB 4.47Å; Q348-N351 WeakPolarHBondContact O-CB 3.24Å; Q348-N351 PolarHBondContact O-N 2.85Å; Q348-N351 VanDerWaalsContact O-N 3.13Å; Q348-L352 PolarHBondContact O-N 3.22Å
349S92.7Very high91.9Very high63 Ų6367 Ų6744%0.44137%0.369SS..Hα-helixtrans-64.7-33.3179.456.70000113.1H337 N351 L352 I353H337-S349 PolarHBondContact CD2-N 3.22Å; H337-S349 PolarHBondContact NE2-N 3.31Å; S349-N351 VanDerWaalsContact C-N 3.28Å; S349-N351 PolarHBondContact O-N 3.39Å; S349-L352 PolarHBondContact O-N 3.44Å; S349-I353 VanDerWaalsContact O-CG1 3.3Å; S349-I353 WeakPolarHBondContact O-CG1 3.22Å; S349-I353 PolarHBondContact O-N 3.1Å
350S90.7Very high91.6Very high54 Ų5471.7 Ų71.738%0.37840%0.398SS..Hα-helixtrans-56.8-39.3171.1450000112.8Q348 T354Q348-S350 VanDerWaalsContact C-N 3.32Å; Q348-S350 PolarHBondContact O-N 2.94Å; Q348-S350 PolarHBondContact OE1-OG 2.81Å; S350-T354 WeakPolarHBondContact O-CG2 3.48Å; S350-T354 PolarHBondContact O-N 3.44Å; S350-T354 PolarHBondContact O-OG1 3.25Å
351N92.1Very high91.4Very high68 Ų6865 Ų6536%0.36438%0.377SS..Hα-helixtrans-72.7-38.2178.2-65.5-9.1000110.7F346 Q348 S349 T354 H355F346-N351 HydrophobicContact CB-CB 4.21Å; F346-N351 HydrophobicContact CD1-CB 3.94Å; F346-N351 HydrophobicContact CG-CB 4.28Å; Q348-N351 HydrophobicContact CB-CB 4.47Å; Q348-N351 WeakPolarHBondContact O-CB 3.24Å; Q348-N351 PolarHBondContact O-N 2.85Å; Q348-N351 VanDerWaalsContact O-N 3.13Å; S349-N351 VanDerWaalsContact C-N 3.28Å; S349-N351 PolarHBondContact O-N 3.39Å; N351-T354 WeakPolarHBondContact CA-OG1 3.48Å; N351-T354 PolarHBondContact O-OG1 3.44Å; N351-H355 WeakPolarHBondContact O-CB 3.43Å; N351-H355 PolarHBondContact O-N 2.82Å
352L94Very high91.4Very high37 Ų3766.6 Ų66.619%0.19437%0.373CS..Hα-helixtrans-62.8-44.9171.2174.760.2000112.1H337 C339 F346 Q348 S349 H355 S356H337-L352 HydrophobicContact CB-CB 4.06Å; H337-L352 HydrophobicContact CB-CD2 3.86Å; C339-L352 HydrophobicContact CB-CD1 3.56Å; F346-L352 HydrophobicContact CB-CB 4.48Å; F346-L352 HydrophobicContact CD2-CB 3.97Å; F346-L352 HydrophobicContact CD2-CD1 3.96Å; F346-L352 HydrophobicContact CE2-CD1 4.13Å; F346-L352 HydrophobicContact CG-CB 4.45Å; Q348-L352 PolarHBondContact O-N 3.22Å; S349-L352 PolarHBondContact O-N 3.44Å; L352-H355 WeakPolarHBondContact O-CB 3.48Å; L352-H355 PolarHBondContact O-N 3.4Å; L352-S356 PolarHBondContact O-N 3.34Å
353I92.3Very high91.4Very high90 Ų9070 Ų7046%0.46238%0.381SS..Hα-helixtrans-66.3-37.4179.3-68.1162.4000111.9S349 S356 R357S349-I353 VanDerWaalsContact O-CG1 3.3Å; S349-I353 WeakPolarHBondContact O-CG1 3.22Å; S349-I353 PolarHBondContact O-N 3.1Å; I353-S356 PolarHBondContact O-OG 3.19Å; I353-S356 VanDerWaalsContact O-OG 3.09Å; I353-R357 WeakPolarHBondContact O-CG 3.44Å
354T91Very high91.4Very high40 Ų4069.6 Ų69.625%0.24537%0.368CS..Hα-helixtrans-75.5-28.717549.30000112.1S350 N351 R376S350-T354 WeakPolarHBondContact O-CG2 3.48Å; S350-T354 PolarHBondContact O-N 3.44Å; S350-T354 PolarHBondContact O-OG1 3.25Å; N351-T354 WeakPolarHBondContact CA-OG1 3.48Å; N351-T354 PolarHBondContact O-OG1 3.44Å; T354-R376 HydrophobicContact CG2-CG 4.37Å
355H92.5Very high91.4Very high24 Ų2466.4 Ų66.411%0.11136%0.355CS..Hα-helixtrans-68.8-44.1170.8174.974.5000112.7C342 F346 N351 L352 R357 K358 H359C342-H355 PolarHBondContact SG-NE2 2.56Å; F346-H355 HydrophobicContact CE1-CB 4.19Å; F346-H355 HydrophobicContact CE2-CB 3.86Å; F346-H355 AromaticContact CE2-CD2 3.64Å; F346-H355 AromaticContact CE2-CG 3.66Å; F346-H355 HydrophobicContact CZ-CB 3.54Å; F346-H355 AromaticContact CZ-CD2 3.73Å; F346-H355 AromaticContact CZ-CG 3.32Å; F346-H355 AromaticContact CZ-ND1 3.66Å; N351-H355 WeakPolarHBondContact O-CB 3.43Å; N351-H355 PolarHBondContact O-N 2.82Å; L352-H355 WeakPolarHBondContact O-CB 3.48Å; L352-H355 PolarHBondContact O-N 3.4Å; H355-R357 PolarHBondContact O-N 3.14Å; H355-K358 VanDerWaalsContact O-CB 3.23Å; H355-K358 WeakPolarHBondContact O-CB 3.5Å; H355-K358 WeakPolarHBondContact O-CG 3.44Å; H355-K358 PolarHBondContact O-N 3.4Å; H355-H359 AromaticContact CD2-NE2 3.79Å; H355-H359 AromaticContact CE1-NE2 3.89Å; H355-H359 AromaticContact NE2-CE1 3.79Å; H355-H359 AromaticContact NE2-NE2 3.1Å; H355-H359 PolarHBondContact NE2-NE2 2.85Å
356S91.6Very high91.3Very high45 Ų4566.5 Ų66.532%0.31536%0.359SS..Hα-helixtrans-62.9-27.2-177.164.30000113.4L352 I353 K358 H359 T360L352-S356 PolarHBondContact O-N 3.34Å; I353-S356 PolarHBondContact O-OG 3.19Å; I353-S356 VanDerWaalsContact O-OG 3.09Å; S356-K358 PolarHBondContact O-N 3.5Å; S356-K358 VanDerWaalsContact O-N 3.14Å; S356-H359 PolarHBondContact O-N 3.12Å; S356-T360 PolarHBondContact O-N 3.14Å
357R92.6Very high91.4Very high55 Ų5564.5 Ų64.521%0.20835%0.351CS..Hα-helixtrans-59.3-17.6169.6-66.2174.8-166176.1-0.2114.4I353 H355 G361 Y362 Q375I353-R357 WeakPolarHBondContact O-CG 3.44Å; H355-R357 PolarHBondContact O-N 3.14Å; R357-G361 CarbonylContact O-C 3.51Å; R357-G361 WeakPolarHBondContact O-CA 3.48Å; R357-G361 PolarHBondContact O-N 3.09Å; R357-Y362 HydrophobicContact CG-CD1 4.28Å; R357-Y362 PolarHBondContact O-N 2.87Å; R357-Q375 HydrophobicContact CB-CB 4.42Å; R357-Q375 HydrophobicContact CB-CG 4.18Å; R357-Q375 PolarHBondContact NH1-O 3.23Å; R357-Q375 PolarHBondContact O-NE2 3.12Å; R357-Q375 VanDerWaalsContact O-NE2 3.12Å
358K89.5Confident91.4Very high138 Ų13869.3 Ų69.360%0.637%0.374SS*.Hα-helixtrans-72.2-38.8171.9-63.9-171.5178.3-161.70111.8H355 S356H355-K358 VanDerWaalsContact O-CB 3.23Å; H355-K358 WeakPolarHBondContact O-CB 3.5Å; H355-K358 WeakPolarHBondContact O-CG 3.44Å; H355-K358 PolarHBondContact O-N 3.4Å; S356-K358 PolarHBondContact O-N 3.5Å; S356-K358 VanDerWaalsContact O-N 3.14Å
359H89.8Confident91.3Very high78 Ų7871 Ų7136%0.36139%0.385SS..Hα-helixtrans-73.6-39.9178.8-56.4-49.5000112C339 V341 C342 H355 S356 G361C339-H359 PolarHBondContact SG-NE2 2.92Å; V341-H359 HydrophobicContact CG1-CB 4.24Å; C342-H359 PolarHBondContact SG-NE2 3.16Å; C342-H359 VanDerWaalsContact SG-NE2 3.4Å; H355-H359 AromaticContact CD2-NE2 3.79Å; H355-H359 AromaticContact CE1-NE2 3.89Å; H355-H359 AromaticContact NE2-CE1 3.79Å; H355-H359 AromaticContact NE2-NE2 3.1Å; H355-H359 PolarHBondContact NE2-NE2 2.85Å; S356-H359 PolarHBondContact O-N 3.12Å; H359-G361 VanDerWaalsContact C-N 3.34Å
360T88.1Confident91.3Very high103 Ų10370.5 Ų70.563%0.63238%0.381SS*.SBendtrans-85.4-4.1-179.863.40000114.2S356 Y362S356-T360 PolarHBondContact O-N 3.14Å; T360-Y362 PolarHBondContact O-N 2.85Å; T360-Y362 WeakPolarHBondContact OG1-CB 3.36Å; T360-Y362 PolarHBondContact OG1-N 3.21Å
361G87.8Confident91.2Very high41 Ų4171.1 Ų71.142%0.42340%0.395SS..  trans640.4-171.600000115.3R357 H359 K363R357-G361 CarbonylContact O-C 3.51Å; R357-G361 WeakPolarHBondContact O-CA 3.48Å; R357-G361 PolarHBondContact O-N 3.09Å; H359-G361 VanDerWaalsContact C-N 3.34Å; G361-K363 WeakPolarHBondContact O-CG 3.13Å; G361-K363 PolarHBondContact O-N 2.79Å
362Y91.2Very high91.1Very high142 Ų14273.6 Ų73.656%0.55740%0.403SS*.  trans-65.3118-168.4-177.9-113.7000113R357 T360 P364R357-Y362 HydrophobicContact CG-CD1 4.28Å; R357-Y362 PolarHBondContact O-N 2.87Å; T360-Y362 PolarHBondContact O-N 2.85Å; T360-Y362 WeakPolarHBondContact OG1-CB 3.36Å; T360-Y362 PolarHBondContact OG1-N 3.21Å; Y362-P364 HydrophobicContact CD1-CB 4.45Å; Y362-P364 HydrophobicContact CD1-CG 4.16Å; Y362-P364 HydrophobicContact CE1-CB 3.67Å; Y362-P364 HydrophobicContact CE1-CG 3.78Å; Y362-P364 VanDerWaalsContact O-CD 3.3Å; Y362-P364 WeakPolarHBondContact O-CD 3.33Å
363K91.3Very high91Very high123 Ų12373.1 Ų73.154%0.53541%0.407SS..  trans-118.881.1-174.1-76.5159.4171.9-174.10110.7G361 F365 G373 F374 Q375G361-K363 WeakPolarHBondContact O-CG 3.13Å; G361-K363 PolarHBondContact O-N 2.79Å; K363-F365 PolarHBondContact O-N 3.34Å; K363-F365 VanDerWaalsContact O-N 3.16Å; K363-G373 VanDerWaalsContact CD-O 3.28Å; K363-G373 WeakPolarHBondContact CD-O 3.35Å; K363-G373 WeakPolarHBondContact CE-O 3.39Å; K363-F374 CarbonylContact C-O 3.57Å; K363-F374 WeakPolarHBondContact CA-O 3.21Å; K363-Q375 HydrophobicContact CG-CG 4.1Å
364P90.3Very high90.9Very high47 Ų4770.8 Ų70.831%0.30539%0.394SS..  trans-71.8-3.6-175.527-33.5000114.9Y362Y362-P364 HydrophobicContact CD1-CB 4.45Å; Y362-P364 HydrophobicContact CD1-CG 4.16Å; Y362-P364 HydrophobicContact CE1-CB 3.67Å; Y362-P364 HydrophobicContact CE1-CG 3.78Å; Y362-P364 VanDerWaalsContact O-CD 3.3Å; Y362-P364 WeakPolarHBondContact O-CD 3.33Å
365F92.8Very high90.9Very high65 Ų6571 Ų7129%0.28539%0.392SS..EExtended strand (participates in β ladder)trans-120.695.6-175.6-55.9-66.6000110.5K363 F374 R376 K377 L380K363-F365 PolarHBondContact O-N 3.34Å; K363-F365 VanDerWaalsContact O-N 3.16Å; F365-F374 HydrophobicContact CB-CB 4.4Å; F365-F374 PolarHBondContact N-O 3.1Å; F365-F374 PolarHBondContact O-N 3.07Å; F365-R376 VanDerWaalsContact CD2-C 3.44Å; F365-K377 HydrophobicContact CD1-CB 4.33Å; F365-K377 HydrophobicContact CE1-CB 4.16Å; F365-K377 HydrophobicContact CE2-CB 4.33Å; F365-K377 HydrophobicContact CZ-CB 4.16Å; F365-L380 HydrophobicContact CB-CB 4.24Å; F365-L380 HydrophobicContact CB-CD2 3.89Å
366G92.1Very high90.8Very high37 Ų3775.3 Ų75.338%0.38141%0.407SS..EExtended strand (participates in β ladder)trans-78.1152.4172.400000112.7K372 L380G366-K372 CarbonylContact C-O 3.56Å; G366-L380 WeakPolarHBondContact O-CD1 3.15Å; G366-L380 VanDerWaalsContact O-CD2 3.22Å; G366-L380 WeakPolarHBondContact O-CD2 3.34Å
367C93.6Very high90.9Very high2 Ų280.4 Ų80.41%0.01442%0.424CS..  trans-91.2114.9164-171.90000109.9L369 C370 G371 K372 F374 L380 H383C367-L369 PolarHBondContact O-N 3.03Å; C367-L369 VanDerWaalsContact O-N 3.09Å; C367-C370 PolarHBondContact O-N 3.36Å; C367-G371 WeakPolarHBondContact O-CA 3.5Å; C367-G371 PolarHBondContact O-N 2.82Å; C367-K372 PolarHBondContact N-O 3.31Å; C367-F374 HydrophobicContact CB-CE2 4.26Å; C367-L380 HydrophobicContact CB-CD1 3.62Å; C367-H383 VanDerWaalsContact SG-CD2 3.6Å; C367-H383 PolarHBondContact SG-NE2 3.32Å; C367-H383 VanDerWaalsContact SG-NE2 3.39Å
368D91.7Very high90.8Very high134 Ų13481.7 Ų81.772%0.71744%0.437SS*.THydrogen-bonded Turntrans-64.7-16.4-175.7-36.8-68.2000113.3K384D368-K384 IonicContact OD2-NZ 2.68Å; D368-K384 PolarHBondContact OD2-NZ 2.94Å
369L90.2Very high91Very high106 Ų10676.3 Ų76.356%0.55542%0.415SS*.THydrogen-bonded Turntrans-93.2-22.6-179.8-63.6-179.3000114.6C367 H388 L390C367-L369 PolarHBondContact O-N 3.03Å; C367-L369 VanDerWaalsContact O-N 3.09Å; L369-H388 HydrophobicContact CD1-CB 3.53Å; L369-H388 VanDerWaalsContact CD1-CG 3.48Å; L369-L390 HydrophobicContact CD1-CD1 3.63Å; L369-L390 HydrophobicContact CD1-CG 4.43Å
370C92.6Very high91.2Very high52 Ų5273.6 Ų73.635%0.35140%0.403SS..THydrogen-bonded Turntrans-144.711-175.770.50000114.9C367 K372 H383 H388C367-C370 PolarHBondContact O-N 3.36Å; C370-K372 PolarHBondContact O-N 3.45Å; C370-H383 PolarHBondContact SG-NE2 3.45Å; C370-H388 PolarHBondContact SG-NE2 3.34Å; C370-H388 VanDerWaalsContact SG-NE2 3.41Å
371G87.5Confident91.4Very high67 Ų6774.7 Ų74.769%0.69140%0.396SS*.  trans68.7-9177.900000116.2C367 G373C367-G371 WeakPolarHBondContact O-CA 3.5Å; C367-G371 PolarHBondContact O-N 2.82Å; G371-G373 PolarHBondContact O-N 3.5Å
372K91.4Very high91.7Very high119 Ų11979.3 Ų79.352%0.51740%0.4SS..  trans-63124.5-174.9-70.7-179.1-179.1176.10111.7G366 C367 C370 F374G366-K372 CarbonylContact C-O 3.56Å; C367-K372 PolarHBondContact N-O 3.31Å; C370-K372 PolarHBondContact O-N 3.45Å; K372-F374 HydrophobicContact CB-CE2 3.85Å; K372-F374 HydrophobicContact CB-CZ 4.06Å; K372-F374 VanDerWaalsContact O-CD2 3.28Å; K372-F374 WeakPolarHBondContact O-CD2 3.49Å; K372-F374 WeakPolarHBondContact O-CE2 3.1Å
373G91.7Very high91.7Very high27 Ų2773.4 Ų73.428%0.27838%0.378SS..EExtended strand (participates in β ladder)trans-93.6137.6-179.400000114.4K363 G371K363-G373 VanDerWaalsContact CD-O 3.28Å; K363-G373 WeakPolarHBondContact CD-O 3.35Å; K363-G373 WeakPolarHBondContact CE-O 3.39Å; G371-G373 PolarHBondContact O-N 3.5Å
374F90.9Very high91.8Very high42 Ų4269.6 Ų69.618%0.18436%0.361CS..EExtended strand (participates in β ladder)trans-125.3150.6-176.9-60.6-88.7000112.7K363 F365 C367 K372 D379 L380 H383K363-F374 CarbonylContact C-O 3.57Å; K363-F374 WeakPolarHBondContact CA-O 3.21Å; F365-F374 HydrophobicContact CB-CB 4.4Å; F365-F374 PolarHBondContact N-O 3.1Å; F365-F374 PolarHBondContact O-N 3.07Å; C367-F374 HydrophobicContact CB-CE2 4.26Å; K372-F374 HydrophobicContact CB-CE2 3.85Å; K372-F374 HydrophobicContact CB-CZ 4.06Å; K372-F374 VanDerWaalsContact O-CD2 3.28Å; K372-F374 WeakPolarHBondContact O-CD2 3.49Å; K372-F374 WeakPolarHBondContact O-CE2 3.1Å; F374-D379 HydrophobicContact CB-CB 4.31Å; F374-D379 HydrophobicContact CD1-CB 3.84Å; F374-D379 HydrophobicContact CG-CB 4.39Å; F374-L380 HydrophobicContact CB-CB 4.19Å; F374-L380 HydrophobicContact CD2-CB 3.94Å; F374-L380 HydrophobicContact CD2-CD1 3.76Å; F374-L380 HydrophobicContact CD2-CG 4.46Å; F374-L380 HydrophobicContact CE2-CD1 3.98Å; F374-L380 HydrophobicContact CG-CB 4.16Å; F374-H383 HydrophobicContact CE1-CB 3.91Å; F374-H383 HydrophobicContact CE2-CB 4.06Å; F374-H383 AromaticContact CE2-CD2 3.38Å; F374-H383 WeakPolarHBondContact CE2-CD2 3.33Å; F374-H383 AromaticContact CE2-CG 3.72Å; F374-H383 HydrophobicContact CZ-CB 3.49Å; F374-H383 VanDerWaalsContact CZ-CB 3.49Å; F374-H383 AromaticContact CZ-CD2 3.42Å; F374-H383 VanDerWaalsContact CZ-CD2 3.42Å; F374-H383 WeakPolarHBondContact CZ-CD2 3.35Å; F374-H383 AromaticContact CZ-CG 3.24Å; F374-H383 AromaticContact CZ-ND1 3.79Å
375Q89.9Confident91.9Very high44 Ų4470.4 Ų70.421%0.20636%0.361CS..SBendtrans-82.9-24.5-179.5-69.8168.8-9.900113.7R357 K363R357-Q375 HydrophobicContact CB-CB 4.42Å; R357-Q375 HydrophobicContact CB-CG 4.18Å; R357-Q375 PolarHBondContact NH1-O 3.23Å; R357-Q375 PolarHBondContact O-NE2 3.12Å; R357-Q375 VanDerWaalsContact O-NE2 3.12Å; K363-Q375 HydrophobicContact CG-CG 4.1Å
376R91.4Very high91.9Very high115 Ų11571.9 Ų71.943%0.43438%0.375SS..SBendtrans-131.6143179.9-48.4-179.1-62.3168.14.4110.6T354 F365 V378 D379 L380T354-R376 HydrophobicContact CG2-CG 4.37Å; F365-R376 VanDerWaalsContact CD2-C 3.44Å; R376-V378 PolarHBondContact O-N 2.89Å; R376-D379 WeakPolarHBondContact CB-OD2 3.2Å; R376-D379 IonicContact CZ-OD1 3.91Å; R376-D379 IonicContact CZ-OD2 3.83Å; R376-D379 IonicContact NE-OD1 3.66Å; R376-D379 IonicContact NE-OD2 2.78Å; R376-D379 PolarHBondContact NE-OD2 2.88Å; R376-D379 VanDerWaalsContact NH2-CG 3.34Å; R376-D379 IonicContact NH2-OD1 2.64Å; R376-D379 PolarHBondContact NH2-OD1 2.99Å; R376-D379 IonicContact NH2-OD2 3.85Å; R376-D379 PolarHBondContact NH2-OD2 3.24Å; R376-D379 VanDerWaalsContact NH2-OD2 3.15Å; R376-D379 PolarHBondContact O-N 3.22Å; R376-D379 VanDerWaalsContact O-N 3.09Å; R376-L380 PolarHBondContact O-N 3.02Å
377K92.1Very high91.7Very high152 Ų15276 Ų7666%0.66138%0.384SS*.Hα-helixtrans-59.6-30.6177.3-172.5174.3-178.7177.20113.3F365 L380 R381F365-K377 HydrophobicContact CD1-CB 4.33Å; F365-K377 HydrophobicContact CE1-CB 4.16Å; F365-K377 HydrophobicContact CE2-CB 4.33Å; F365-K377 HydrophobicContact CZ-CB 4.16Å; K377-L380 PolarHBondContact O-N 3.12Å; K377-R381 WeakPolarHBondContact O-CB 3.46Å; K377-R381 PolarHBondContact O-N 2.95Å
378V91.6Very high91.5Very high81 Ų8178.9 Ų78.949%0.49140%0.398SS..Hα-helixtrans-67.2-36.5177.2-176.60000111.6R376 R381 R382R376-V378 PolarHBondContact O-N 2.89Å; V378-R381 PolarHBondContact O-N 2.95Å; V378-R382 WeakPolarHBondContact O-CB 3.41Å; V378-R382 PolarHBondContact O-N 3.05Å
379D92.5Very high91Very high26 Ų2675.3 Ų75.314%0.13939%0.393CS..Hα-helixtrans-70.3-41.1176.9-60.9-48.9000111.1F374 R376 R382 H383F374-D379 HydrophobicContact CB-CB 4.31Å; F374-D379 HydrophobicContact CD1-CB 3.84Å; F374-D379 HydrophobicContact CG-CB 4.39Å; R376-D379 WeakPolarHBondContact CB-OD2 3.2Å; R376-D379 IonicContact CZ-OD1 3.91Å; R376-D379 IonicContact CZ-OD2 3.83Å; R376-D379 IonicContact NE-OD1 3.66Å; R376-D379 IonicContact NE-OD2 2.78Å; R376-D379 PolarHBondContact NE-OD2 2.88Å; R376-D379 VanDerWaalsContact NH2-CG 3.34Å; R376-D379 IonicContact NH2-OD1 2.64Å; R376-D379 PolarHBondContact NH2-OD1 2.99Å; R376-D379 IonicContact NH2-OD2 3.85Å; R376-D379 PolarHBondContact NH2-OD2 3.24Å; R376-D379 VanDerWaalsContact NH2-OD2 3.15Å; R376-D379 PolarHBondContact O-N 3.22Å; R376-D379 VanDerWaalsContact O-N 3.09Å; D379-R382 IonicContact OD1-CZ 2.67Å; D379-R382 IonicContact OD1-NH2 3.27Å; D379-R382 PolarHBondContact OD1-NH2 3.01Å; D379-H383 VanDerWaalsContact O-CB 3.26Å; D379-H383 WeakPolarHBondContact O-CB 3.42Å; D379-H383 PolarHBondContact O-N 3.11Å
380L93.8Very high89.9Confident21 Ų2174.3 Ų74.311%0.1139%0.388CS..Hα-helixtrans-59.6-47.1171.8172.562000111.8F365 G366 C367 F374 R376 K377 H383 K384F365-L380 HydrophobicContact CB-CB 4.24Å; F365-L380 HydrophobicContact CB-CD2 3.89Å; G366-L380 WeakPolarHBondContact O-CD1 3.15Å; G366-L380 VanDerWaalsContact O-CD2 3.22Å; G366-L380 WeakPolarHBondContact O-CD2 3.34Å; C367-L380 HydrophobicContact CB-CD1 3.62Å; F374-L380 HydrophobicContact CB-CB 4.19Å; F374-L380 HydrophobicContact CD2-CB 3.94Å; F374-L380 HydrophobicContact CD2-CD1 3.76Å; F374-L380 HydrophobicContact CD2-CG 4.46Å; F374-L380 HydrophobicContact CE2-CD1 3.98Å; F374-L380 HydrophobicContact CG-CB 4.16Å; R376-L380 PolarHBondContact O-N 3.02Å; K377-L380 PolarHBondContact O-N 3.12Å; L380-H383 WeakPolarHBondContact O-CB 3.39Å; L380-H383 PolarHBondContact O-N 3.38Å; L380-K384 HydrophobicContact CD1-CD 4.44Å; L380-K384 HydrophobicContact CD1-CG 4.19Å; L380-K384 PolarHBondContact O-N 3.2Å
381R93.1Very high88.3Confident126 Ų12684 Ų8448%0.47542%0.424SS..Hα-helixtrans-60-52.5178.8175.9174.260.278-2.5110.8K377 V378 H383 K384 E385K377-R381 WeakPolarHBondContact O-CB 3.46Å; K377-R381 PolarHBondContact O-N 2.95Å; V378-R381 PolarHBondContact O-N 2.95Å; R381-H383 PolarHBondContact O-N 3.22Å; R381-K384 PolarHBondContact O-N 2.82Å; R381-E385 WeakPolarHBondContact CD-OE1 3.29Å; R381-E385 HydrophobicContact CG-CG 4.29Å; R381-E385 WeakPolarHBondContact CG-OE1 3.45Å; R381-E385 IonicContact CZ-OE1 2.66Å; R381-E385 IonicContact NE-OE1 3.15Å; R381-E385 IonicContact NH1-OE1 3.15Å; R381-E385 PolarHBondContact NH1-OE1 3.36Å; R381-E385 IonicContact NH1-OE2 3.36Å; R381-E385 PolarHBondContact NH1-OE2 3.43Å; R381-E385 WeakPolarHBondContact O-CG 3.3Å; R381-E385 PolarHBondContact O-N 3.31Å
382R93.3Very high88.4Confident137 Ų13784.9 Ų84.952%0.51741%0.41SS..Hα-helixtrans-55.5-39.7176174.4171.155.6161-2.7112.2V378 D379 E385 T386V378-R382 WeakPolarHBondContact O-CB 3.41Å; V378-R382 PolarHBondContact O-N 3.05Å; D379-R382 IonicContact OD1-CZ 2.67Å; D379-R382 IonicContact OD1-NH2 3.27Å; D379-R382 PolarHBondContact OD1-NH2 3.01Å; R382-E385 WeakPolarHBondContact CA-OE2 3.48Å; R382-E385 PolarHBondContact O-N 2.72Å; R382-T386 HydrophobicContact CG-CG2 4.48Å; R382-T386 WeakPolarHBondContact O-CG2 3.42Å; R382-T386 PolarHBondContact O-N 3.22Å; R382-T386 PolarHBondContact O-OG1 3.35Å
383H92.7Very high88.2Confident18 Ų1883.1 Ų83.18%0.08341%0.405CS..Hα-helixtrans-65.4-43.5175.1164.368.4000112.6C367 C370 F374 D379 L380 R381 T386 Q387 H388C367-H383 VanDerWaalsContact SG-CD2 3.6Å; C367-H383 PolarHBondContact SG-NE2 3.32Å; C367-H383 VanDerWaalsContact SG-NE2 3.39Å; C370-H383 PolarHBondContact SG-NE2 3.45Å; F374-H383 HydrophobicContact CE1-CB 3.91Å; F374-H383 HydrophobicContact CE2-CB 4.06Å; F374-H383 AromaticContact CE2-CD2 3.38Å; F374-H383 WeakPolarHBondContact CE2-CD2 3.33Å; F374-H383 AromaticContact CE2-CG 3.72Å; F374-H383 HydrophobicContact CZ-CB 3.49Å; F374-H383 VanDerWaalsContact CZ-CB 3.49Å; F374-H383 AromaticContact CZ-CD2 3.42Å; F374-H383 VanDerWaalsContact CZ-CD2 3.42Å; F374-H383 WeakPolarHBondContact CZ-CD2 3.35Å; F374-H383 AromaticContact CZ-CG 3.24Å; F374-H383 AromaticContact CZ-ND1 3.79Å; D379-H383 VanDerWaalsContact O-CB 3.26Å; D379-H383 WeakPolarHBondContact O-CB 3.42Å; D379-H383 PolarHBondContact O-N 3.11Å; L380-H383 WeakPolarHBondContact O-CB 3.39Å; L380-H383 PolarHBondContact O-N 3.38Å; R381-H383 PolarHBondContact O-N 3.22Å; H383-T386 PolarHBondContact O-N 3.11Å; H383-Q387 WeakPolarHBondContact ND1-CG 3.14Å; H383-Q387 VanDerWaalsContact O-CB 3.24Å; H383-Q387 WeakPolarHBondContact O-CB 3.25Å; H383-Q387 WeakPolarHBondContact O-CG 3.36Å; H383-Q387 PolarHBondContact O-N 3.4Å; H383-H388 AromaticContact CE1-NE2 3.89Å; H383-H388 AromaticContact NE2-CD2 3.95Å; H383-H388 AromaticContact NE2-NE2 3.54Å
384K92.7Very high88Confident43 Ų4386.2 Ų86.219%0.18741%0.412CS..Hα-helixtrans-62.8-41.4174-74.2-169.1175.4-164.60112.1D368 L380 R381 H388 G389 L390D368-K384 IonicContact OD2-NZ 2.68Å; D368-K384 PolarHBondContact OD2-NZ 2.94Å; L380-K384 HydrophobicContact CD1-CD 4.44Å; L380-K384 HydrophobicContact CD1-CG 4.19Å; L380-K384 PolarHBondContact O-N 3.2Å; R381-K384 PolarHBondContact O-N 2.82Å; K384-H388 CarbonylContact O-C 3.41Å; K384-H388 WeakPolarHBondContact O-CA 3.37Å; K384-H388 WeakPolarHBondContact O-CB 3.39Å; K384-H388 PolarHBondContact O-N 3.47Å; K384-G389 PolarHBondContact O-N 3.2Å; K384-G389 VanDerWaalsContact O-N 3.12Å; K384-L390 HydrophobicContact CB-CB 4.26Å; K384-L390 HydrophobicContact CD-CD1 4.25Å; K384-L390 PolarHBondContact O-N 3.38Å
385E92Very high87.9Confident64 Ų6488.8 Ų88.830%0.29943%0.425SS..Hα-helixtrans-61.2-47.9175.5-71.4163.9177.200111.7R381 R382 G389 L390R381-E385 WeakPolarHBondContact CD-OE1 3.29Å; R381-E385 HydrophobicContact CG-CG 4.29Å; R381-E385 WeakPolarHBondContact CG-OE1 3.45Å; R381-E385 IonicContact CZ-OE1 2.66Å; R381-E385 IonicContact NE-OE1 3.15Å; R381-E385 IonicContact NH1-OE1 3.15Å; R381-E385 PolarHBondContact NH1-OE1 3.36Å; R381-E385 IonicContact NH1-OE2 3.36Å; R381-E385 PolarHBondContact NH1-OE2 3.43Å; R381-E385 WeakPolarHBondContact O-CG 3.3Å; R381-E385 PolarHBondContact O-N 3.31Å; R382-E385 WeakPolarHBondContact CA-OE2 3.48Å; R382-E385 PolarHBondContact O-N 2.72Å; E385-G389 WeakPolarHBondContact O-CA 3.36Å; E385-G389 PolarHBondContact O-N 3.35Å; E385-L390 WeakPolarHBondContact CA-O 3.45Å; E385-L390 VanDerWaalsContact CG-O 3.29Å; E385-L390 WeakPolarHBondContact CG-O 3.49Å; E385-L390 PolarHBondContact N-O 3.19Å
386T92.8Very high87.7Confident96 Ų9691.6 Ų91.659%0.58944%0.439SS*.Hα-helixtrans-90.2-20.2-172.8620000115.8R382 H383R382-T386 HydrophobicContact CG-CG2 4.48Å; R382-T386 WeakPolarHBondContact O-CG2 3.42Å; R382-T386 PolarHBondContact O-N 3.22Å; R382-T386 PolarHBondContact O-OG1 3.35Å; H383-T386 PolarHBondContact O-N 3.11Å
387Q87.8Confident87.5Confident123 Ų12390 Ų9058%0.57544%0.439SS*.Hα-helixtrans-112.3-17.7-177.5-56.9-69.1-91.700113.2H383H383-Q387 WeakPolarHBondContact ND1-CG 3.14Å; H383-Q387 VanDerWaalsContact O-CB 3.24Å; H383-Q387 WeakPolarHBondContact O-CB 3.25Å; H383-Q387 WeakPolarHBondContact O-CG 3.36Å; H383-Q387 PolarHBondContact O-N 3.4Å
388H88.9Confident87.1Confident63 Ų6385.6 Ų85.629%0.29242%0.424SS..Hα-helixtrans-130.12-177.9-56.3-56.7000113.1L369 C370 H383 K384 L390L369-H388 HydrophobicContact CD1-CB 3.53Å; L369-H388 VanDerWaalsContact CD1-CG 3.48Å; C370-H388 PolarHBondContact SG-NE2 3.34Å; C370-H388 VanDerWaalsContact SG-NE2 3.41Å; H383-H388 AromaticContact CE1-NE2 3.89Å; H383-H388 AromaticContact NE2-CD2 3.95Å; H383-H388 AromaticContact NE2-NE2 3.54Å; K384-H388 CarbonylContact O-C 3.41Å; K384-H388 WeakPolarHBondContact O-CA 3.37Å; K384-H388 WeakPolarHBondContact O-CB 3.39Å; K384-H388 PolarHBondContact O-N 3.47Å; H388-L390 HydrophobicContact CB-CD1 4.47Å; H388-L390 HydrophobicContact CB-CG 4.29Å; H388-L390 PolarHBondContact O-N 2.88Å
389G81.4Confident86.8Confident60 Ų6085.9 Ų85.962%0.61942%0.418SS*.  trans65.65.9178.600000115.2K384 E385 K391K384-G389 PolarHBondContact O-N 3.2Å; K384-G389 VanDerWaalsContact O-N 3.12Å; E385-G389 WeakPolarHBondContact O-CA 3.36Å; E385-G389 PolarHBondContact O-N 3.35Å; G389-K391 PolarHBondContact O-N 3.19Å
390L68.8Low86.3Confident85 Ų8590.9 Ų90.945%0.44544%0.442SS..  trans-77.5111.8-177.7-68.2178.9000110.2L369 K384 E385 H388L369-L390 HydrophobicContact CD1-CD1 3.63Å; L369-L390 HydrophobicContact CD1-CG 4.43Å; K384-L390 HydrophobicContact CB-CB 4.26Å; K384-L390 HydrophobicContact CD-CD1 4.25Å; K384-L390 PolarHBondContact O-N 3.38Å; E385-L390 WeakPolarHBondContact CA-O 3.45Å; E385-L390 VanDerWaalsContact CG-O 3.29Å; E385-L390 WeakPolarHBondContact CG-O 3.49Å; E385-L390 PolarHBondContact N-O 3.19Å; H388-L390 HydrophobicContact CB-CD1 4.47Å; H388-L390 HydrophobicContact CB-CG 4.29Å; H388-L390 PolarHBondContact O-N 2.88Å
391K58.7Low85.7Confident255 Ų25597.3 Ų97.3100%1.10947%0.472SS*.  trans-900170.9-69.6-178.9177.3175.40111.3G389G389-K391 PolarHBondContact O-N 3.19Å

Retrieved 391 of 391 residues in 605.3 ms (Link to these results)