A0A087Y8U6_POEFO Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A087Y8U6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 346 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.7Very low40.4Very low241 Ų241149.3 Ų149.3100%1.18780%0.803SS**  0128.40-69.9161.381.500107.3
2V34Very low40.3Very low131 Ų131147.7 Ų147.779%0.79481%0.807SS**  trans-81.7126.7179.8-172.10000108V4V2-V4 HydrophobicContact CG1-CG2 3.63Å
3L40.4Very low40.3Very low161 Ų161144 Ų14484%0.84379%0.791SS**  trans-109.390.2166.5-93.7165.5000108.9
4V39.5Very low39.7Very low102 Ų102147.6 Ų147.662%0.61880%0.795SS**  trans-74124.5167.1-176.90000107.5V2 V6V2-V4 HydrophobicContact CG1-CG2 3.63Å; V4-V6 HydrophobicContact CG1-CB 4.5Å; V4-V6 HydrophobicContact CG1-CG2 3.71Å
5H46.3Very low39Very low177 Ų177142.9 Ų142.982%0.81980%0.796SS**  trans-116.5102.2158.6-105.3-81.2000109.4
6V45.8Very low38.6Very low128 Ų128140.9 Ų140.978%0.77679%0.794SS**  trans-98.1138.3167.9164.70000107.7V4V4-V6 HydrophobicContact CG1-CB 4.5Å; V4-V6 HydrophobicContact CG1-CG2 3.71Å
7G37.6Very low38.5Very low60 Ų60140.5 Ų140.562%0.61980%0.795SS**  trans118.214317200000113.7
8Y43.1Very low38.4Very low221 Ų221144.6 Ų144.687%0.86780%0.796SS**  cis-153.4144.9-6.5-130.3-91.8000109
9L39.8Very low38.1Very low152 Ų152145.2 Ų145.280%0.79680%0.798SS**  trans-66.6130.3169.3-81.2157.6000109.8
10V43.7Very low37.9Very low132 Ų132149 Ų14980%0.880%0.8SS**  trans-133.894.2160.5-174.60000109.2
11L36.6Very low37.5Very low137 Ų137145.8 Ų145.872%0.71780%0.802SS**  trans-87.2133.4160.6-71165.7000108.3V13L11-V13 HydrophobicContact CB-CG2 4.29Å; L11-V13 PolarHBondContact O-N 3.36Å
12P39.4Very low37.2Very low130 Ų130139.1 Ų139.184%0.84479%0.785SS**  trans-77.3115162.730.2-29.7000109.5
13V39.9Very low37.4Very low100 Ų100141.5 Ų141.561%0.60679%0.787SS**  trans-117.4152.2169.5-170.40000108.6L11L11-V13 HydrophobicContact CB-CG2 4.29Å; L11-V13 PolarHBondContact O-N 3.36Å
14F32.6Very low36.9Very low194 Ų194143.5 Ų143.585%0.85179%0.789SS**  trans91.2103.8170-56.7-71.1000118.2
15G28.6Very low36.4Very low78 Ų78143.4 Ų143.480%0.80479%0.793SS**  trans-137.647.7159.300000110.7V17G15-V17 PolarHBondContact O-N 2.6Å
16S32.9Very low35.6Very low110 Ų110144.1 Ų144.177%0.76979%0.789SS**  trans-82.494.3-179.1-177.70000110.9
17V36.3Very low34.9Very low134 Ų134146.3 Ų146.381%0.81279%0.79SS**  trans-99.4100.3171.2-179.30000109.9G15 N19G15-V17 PolarHBondContact O-N 2.6Å; V17-N19 PolarHBondContact O-N 3.11Å
18R36.7Very low34.9Very low215 Ų215149.5 Ų149.581%0.81179%0.789SS**  trans-82.6106.7173.2-175.6164.376.9-167.88109.1
19N32.8Very low34.3Very low156 Ų156147.5 Ų147.583%0.83479%0.787SS**  trans-101113.4175.2-145.8-6.6000111.3V17V17-N19 PolarHBondContact O-N 3.11Å
20R34.1Very low34Very low221 Ų221144 Ų14483%0.83478%0.776SS**  trans-101.5120.8175.3-90.9-174.2170-172.7-3109.2
21G30.4Very low33.5Very low81 Ų81146 Ų14684%0.83578%0.776SS**  trans67.7111141.300000119.1
22A31.2Very low33.2Very low101 Ų101143.4 Ų143.484%0.83577%0.774SS**  trans-134.4126.4139.700000108.5
23H37.3Very low33.1Very low181 Ų181143.5 Ų143.584%0.83877%0.773SS**  trans-69.6151.5168.3-88.4-129.1000109.9
24F29.5Very low32.8Very low203 Ų203143.8 Ų143.889%0.8978%0.779SS**  -163.9145.5121.1-108.2-71.4000113.4
25S30.2Very low33Very low100 Ų100140.1 Ų140.170%0.69978%0.776SS**  trans5.9112177.8-63.70000122.5
26R29.3Very low33.2Very low193 Ų193147.7 Ų147.773%0.72878%0.78SS**  trans-51.4134.2141.3162-173.3-79.6-161.80.7111.4Q28R26-Q28 HydrophobicContact CG-CG 3.91Å
27H30.9Very low33.2Very low173 Ų173151 Ų15180%0.80178%0.783SS**  trans-121.9117.6142.6-110.5-80.7000108.8
28Q36.5Very low32.9Very low128 Ų128154.5 Ų154.560%0.59879%0.788SS**  trans-85.2131.7167.8-69.5166-63.400107.9R26R26-Q28 HydrophobicContact CG-CG 3.91Å
29H32.3Very low32.7Very low178 Ų178153 Ų15382%0.82479%0.79SS**  trans-144.6154.4143.2-79.1-58.7000109.6
30S32.4Very low32.7Very low80 Ų80154 Ų15456%0.55980%0.795SS**  trans-119.8-175.8-154.934.40000112.3
31H33.8Very low32.3Very low172 Ų172147.3 Ų147.380%0.79679%0.794SS**  trans76.7125.9171.2-33.8-69.9000113.8
32A31Very low32.6Very low83 Ų83147.9 Ų147.969%0.68679%0.791SS**  cis119.3121.116.100000111.3
33T36.2Very low33.5Very low133 Ų133148.7 Ų148.782%0.81679%0.787SS**  trans52.6112.2147.753.90000122
34S34.3Very low33.2Very low106 Ų106148.8 Ų148.874%0.74179%0.788SS**  57.9124.5109-156.60000122.2
35C35.4Very low33.3Very low116 Ų116143.2 Ų143.278%0.78478%0.78SS**  trans54.5117.9147.2-690000122.2
36R33.9Very low33.9Very low237 Ų237143.7 Ų143.789%0.89478%0.78SS**  trans-143.2119.6140.3-64-168175.1-169.4-3.5108.2
37H31.7Very low33.9Very low180 Ų180141.9 Ų141.983%0.83378%0.784SS**  52.4113.880.2-92.3-59.3000115
38F29.9Very low33.6Very low207 Ų207139.2 Ų139.291%0.90878%0.784SS**  trans-119.4145.9158.9-94.4-87.9000109.6
39H33.1Very low33.5Very low183 Ų183137.4 Ų137.485%0.84779%0.791SS**  trans-127.2155.8-179.1-131.1-125.4000110.1
40L34.1Very low33.2Very low179 Ų179138.2 Ų138.294%0.93780%0.795SS**  trans-75.9158-170.6-68.6156.9000113.8
41G25.1Very low33.2Very low79 Ų79143.6 Ų143.681%0.81481%0.809SS**  trans-150.6111.8164.700000112.1
42A35.8Very low33.6Very low94 Ų94141.1 Ų141.178%0.77781%0.808SS**  trans-111.3176.4160.400000107.5
43P50.5Low33.8Very low117 Ų117144.6 Ų144.676%0.7681%0.814SS**  -138.8-159.152.833.1-7.2000111.3
44Q31.3Very low33.4Very low184 Ų184141.9 Ų141.986%0.8681%0.813SS**  cis-136.9-162.910.5-63.2-176.3-9.800111.8
45A31Very low33.3Very low86 Ų86145.8 Ų145.871%0.71182%0.819SS**  trans-143.2-160.5173.300000107
46P43Very low33.2Very low109 Ų109145.4 Ų145.471%0.70882%0.824SS**  cis-139.2-157.9-7.334.9-10000114.4
47I28.6Very low32.7Very low156 Ų156137.4 Ų137.480%0.882%0.815SS**  trans75.8143.3168.890.6172.7000117.3
48S25.4Very low32.7Very low117 Ų117138.4 Ų138.482%0.81882%0.82SS**  cis-150.3173.5-1.7-130.10000110.9
49A34.1Very low32.6Very low89 Ų89135.9 Ų135.974%0.73682%0.815SS**  trans-96.7152.9-175.100000114.4
50E26.1Very low33.2Very low196 Ų196132.6 Ų132.692%0.91681%0.81SS**  trans-177.2154.8134.9-104.8179.9128.300113
51F32.8Very low33Very low193 Ų193133.1 Ų133.185%0.84681%0.808SS**  trans-87.9160.2170.3-106.8-90.3000110.2
52P41.7Very low33.4Very low120 Ų120134.3 Ų134.378%0.77981%0.81SS**  -148.2168.8110.633.7-15.8000116.5
53L35.2Very low33.1Very low155 Ų155133.2 Ų133.281%0.81281%0.808SS**  trans-73.2161.2171.4-76.378.4000112.8
54G27.7Very low32.3Very low76 Ų76135.8 Ų135.878%0.78481%0.814SS**  trans-151.5142.1165.500000112.2
55H32.9Very low32.3Very low188 Ų188131.7 Ų131.787%0.8781%0.812SS**  trans-98.7179.4-170-75.8-82.5000114.9
56A32.6Very low32.3Very low109 Ų109131.2 Ų131.290%0.90181%0.808SS**  trans-72.4163.4-167.700000118.1
57G24.8Very low31.9Very low68 Ų68133.9 Ų133.970%0.70181%0.811SS**  trans157.8144.1171.800000108.8
58Q30.1Very low32.2Very low202 Ų202134 Ų13494%0.94481%0.813SS**  cis-151.9164.916.5-86.2164.8-3400112.8
59L29Very low33.1Very low153 Ų153133.6 Ų133.680%0.80181%0.807SS**  trans-64.1176162.7-93.5145.4000111.8
60P45.7Very low33.8Very low114 Ų114134.2 Ų134.274%0.7480%0.803SS**  cis-147.3162.230.941.4-20.8000120
61Q30.8Very low33.9Very low190 Ų190129.8 Ų129.889%0.88879%0.79SS**  trans-142.3152.9131.2-102.6-169.911.800109.8
62A32.2Very low34.1Very low105 Ų105129.2 Ų129.287%0.86879%0.789SS**  trans-123.4154.8-172.700000111.3
63G30.2Very low33.5Very low71 Ų71132.1 Ų132.173%0.73279%0.792SS**  trans146.372164.500000118.1
64L34.2Very low33.9Very low170 Ų170129.7 Ų129.789%0.8979%0.786SS**  trans38.9109138.8-51.3177.3000118.9
65A30.8Very low33.9Very low99 Ų99132 Ų13282%0.81879%0.785SS**  84.2141.591.500000115.1
66A31.3Very low33.9Very low75 Ų75130.4 Ų130.462%0.6278%0.782SS**  cis-169.5175.9-11.300000111.8
67H33.9Very low33.9Very low165 Ų165131.4 Ų131.476%0.76478%0.777SS**  trans87.199.8156.5-55.4-67.1000123.7
68L35.2Very low34.1Very low160 Ų160133 Ų13384%0.83878%0.783SS**  76.7159.2121-69166.1000122.3
69P43.5Very low34.6Very low107 Ų107131.7 Ų131.770%0.69578%0.782SS**  trans-112.4-157.4-153.646.8-35.7000112.5
70P48.4Very low34.9Very low102 Ų102130.3 Ų130.366%0.66278%0.782SS**  cis-148.4-1718.439.7-14.8000120.1
71T28.7Very low34.5Very low104 Ų104129.2 Ų129.264%0.63878%0.783SS**  trans67.4119.2144.852.40000122.9
72H37.1Very low35.1Very low180 Ų180125.8 Ų125.883%0.83378%0.777SS**  159151.3112.3-82.3-66.3000113.7
73H29.8Very low35.5Very low181 Ų181126.5 Ų126.584%0.83877%0.773SS**  trans-92.3-178.9-176.6-70.6-95.1000112.3
74P42.3Very low35.9Very low104 Ų104132 Ų13268%0.67578%0.78SS**  -138.6176.3-53.742.3-26.6000114.5
75T29.2Very low36Very low124 Ų124133.7 Ų133.776%0.76178%0.78SS**  trans59.9113.4151.7-43.20000121.1
76L31.1Very low36.4Very low155 Ų155137.6 Ų137.681%0.81278%0.782SS**  -168.8122.5115.5-100.1173.7000112.8
77T32.8Very low36.7Very low130 Ų130141.7 Ų141.780%0.79879%0.793SS**  trans21.4111157.245.60000122.2
78A30.4Very low37.3Very low101 Ų101140.2 Ų140.284%0.83580%0.795SS**  -168149.6122.700000111
79L39.8Very low37.8Very low175 Ų175138.4 Ų138.492%0.91679%0.793SS**  trans-79.2150.7-173.4-69.1161.7000113.9
80P36.3Very low38Very low124 Ų124136.1 Ų136.181%0.80579%0.789SS**  -130.5169.9125.634.5-23.5000113.7
81A37.5Very low38Very low92 Ų92136.8 Ų136.876%0.7679%0.793SS**PPolyproline II helixtrans-66.5154.6-166.700000115.6
82P41.8Very low39.1Very low118 Ų118137 Ų13777%0.76680%0.799SS**PPolyproline II helixtrans-76.7148.2-179.931.9-35.7000113
83P40.8Very low40Very low119 Ų119136.5 Ų136.577%0.77380%0.795SS**PPolyproline II helixtrans-73.1156.3167.732.8-34.3000111.1
84Q39.8Very low41.1Very low187 Ų187134.4 Ų134.487%0.87479%0.789SS**PPolyproline II helixtrans-67.2136.4-177.5-64.8-171.8-12.300112.3
85F34.9Very low41.8Very low205 Ų205133.8 Ų133.890%0.89979%0.785SS**PPolyproline II helixtrans-68.6127.7163.3-96.4-101.9000109.1
86Q39.4Very low43.2Very low182 Ų182134.7 Ų134.785%0.8578%0.78SS**PPolyproline II helixtrans-79.8122.1168.3-73.3176.3-19.500109V88Q86-V88 PolarHBondContact O-N 3.19Å
87D37.1Very low44.6Very low160 Ų160129.9 Ų129.986%0.85676%0.763SS**PPolyproline II helixtrans-62.4118.2172.2-75.2-67000110.8P89D87-P89 WeakPolarHBondContact O-CD 3.27Å
88V47.3Very low46Very low134 Ų134129.3 Ų129.381%0.81276%0.755SS**PPolyproline II helixtrans-82119.4167.7179.50000107.8Q86 G90Q86-V88 PolarHBondContact O-N 3.19Å; V88-G90 PolarHBondContact O-N 3.45Å; V88-G90 VanDerWaalsContact O-N 3.11Å
89P46.2Very low48.2Very low122 Ų122130.1 Ų130.179%0.79274%0.741SS**  trans-70.6110.6179.427.5-33000110.6D87D87-P89 WeakPolarHBondContact O-CD 3.27Å
90G47.4Very low50Low59 Ų59128.1 Ų128.161%0.60873%0.727SS**  trans-65.8152.9169.300000112V88 S92V88-G90 PolarHBondContact O-N 3.45Å; V88-G90 VanDerWaalsContact O-N 3.11Å; G90-S92 PolarHBondContact O-N 3.01Å
91P47.6Very low51.9Low117 Ų117128.4 Ų128.476%0.7672%0.718SS**  trans-68.9126.2-172.627.4-34.4000112.3F93P91-F93 PolarHBondContact O-N 3.03Å
92S53.2Low53.8Low109 Ų109130.3 Ų130.376%0.76271%0.706SS**THydrogen-bonded Turntrans-75.835.6-174.650.10000115.1G90G90-S92 PolarHBondContact O-N 3.01Å
93F54.7Low55.8Low169 Ų169128.3 Ų128.374%0.74169%0.688SS**THydrogen-bonded Turntrans-107.3-4.9-170.9-116.6-90000115.8P91P91-F93 PolarHBondContact O-N 3.03Å
94L54.3Low57.9Low136 Ų136127.4 Ų127.471%0.71268%0.676SS**Hα-helixtrans-78.9-34.3-178.2-65.4174.9000115.8Q96L94-Q96 PolarHBondContact O-N 3.14Å
95P56.7Low60.1Low91 Ų91124.4 Ų124.459%0.59166%0.662SS**Hα-helixtrans-65.2-37179.9-23.434.6000113.6H99P95-H99 WeakPolarHBondContact O-CB 3.13Å; P95-H99 PolarHBondContact O-N 2.74Å; P95-H99 VanDerWaalsContact O-N 3.12Å
96Q59.1Low62.4Low143 Ų143118.4 Ų118.467%0.66864%0.637SS**Hα-helixtrans-65-43.1-175.9-13992.2300112.1L94 H99 Q100L94-Q96 PolarHBondContact O-N 3.14Å; Q96-H99 PolarHBondContact O-N 3.25Å; Q96-Q100 WeakPolarHBondContact O-CB 3.49Å; Q96-Q100 PolarHBondContact O-N 3.45Å
97A60.2Low64.5Low54 Ų54116.6 Ų116.645%0.44663%0.628SS.*Hα-helixtrans-67.4-44.3-17700000112Q100 Q101A97-Q100 PolarHBondContact O-N 3.18Å; A97-Q101 WeakPolarHBondContact O-CB 3.32Å; A97-Q101 PolarHBondContact O-N 2.84Å
98L61.8Low66.8Low119 Ų119113.5 Ų113.562%0.62361%0.611SS**Hα-helixtrans-65.1-39.1176-71.7173.2000111.9Q101 Y102L98-Q101 PolarHBondContact O-N 3.39Å; L98-Y102 WeakPolarHBondContact O-CB 3.36Å; L98-Y102 PolarHBondContact O-N 2.97Å
99H77.1Confident68.3Low117 Ų117112 Ų11254%0.54260%0.597SS.*Hα-helixtrans-64.1-43.5174.9-173.468.4000112P95 Q96 Q101 Y102 L103P95-H99 WeakPolarHBondContact O-CB 3.13Å; P95-H99 PolarHBondContact O-N 2.74Å; P95-H99 VanDerWaalsContact O-N 3.12Å; Q96-H99 PolarHBondContact O-N 3.25Å; H99-Q101 PolarHBondContact O-N 3.45Å; H99-Y102 PolarHBondContact O-N 3.33Å; H99-L103 WeakPolarHBondContact O-CG 3.34Å; H99-L103 PolarHBondContact O-N 2.87Å
100Q77.1Confident69.7Low133 Ų133111.5 Ų111.562%0.62159%0.585SS**Hα-helixtrans-64.6-39.4176.6-172.1161.749.600112.1Q96 A97 L103 I104Q96-Q100 WeakPolarHBondContact O-CB 3.49Å; Q96-Q100 PolarHBondContact O-N 3.45Å; A97-Q100 PolarHBondContact O-N 3.18Å; Q100-L103 PolarHBondContact O-N 3.4Å; Q100-I104 HydrophobicContact CG-CD1 4.11Å; Q100-I104 WeakPolarHBondContact O-CD1 3.17Å; Q100-I104 VanDerWaalsContact O-CG1 3.29Å; Q100-I104 WeakPolarHBondContact O-CG1 3.5Å; Q100-I104 PolarHBondContact O-N 3.32Å; Q100-I104 VanDerWaalsContact O-N 3.07Å
101Q76.1Confident70.9Confident131 Ų131110.7 Ų110.761%0.61257%0.572SS**Hα-helixtrans-65.9-39.2176.1-165.8171.69.200112.2A97 L98 H99 I104 Q105A97-Q101 WeakPolarHBondContact O-CB 3.32Å; A97-Q101 PolarHBondContact O-N 2.84Å; L98-Q101 PolarHBondContact O-N 3.39Å; H99-Q101 PolarHBondContact O-N 3.45Å; Q101-I104 PolarHBondContact O-N 3.33Å; Q101-Q105 WeakPolarHBondContact O-CB 3.35Å; Q101-Q105 PolarHBondContact O-N 3.15Å
102Y77.9Confident72.1Confident131 Ų131110 Ų11051%0.51456%0.559SS.*Hα-helixtrans-61.6-46.9173.2176.5-93000112.1L98 H99 I104 Q105 Q106L98-Y102 WeakPolarHBondContact O-CB 3.36Å; L98-Y102 PolarHBondContact O-N 2.97Å; H99-Y102 PolarHBondContact O-N 3.33Å; Y102-I104 PolarHBondContact O-N 3.12Å; Y102-Q105 PolarHBondContact O-N 3.46Å; Y102-Q106 VanDerWaalsContact CE1-OE1 3.24Å; Y102-Q106 WeakPolarHBondContact O-CB 3.38Å; Y102-Q106 PolarHBondContact O-N 2.99Å
103L83.8Confident72.6Confident76 Ų76110.3 Ų110.340%0.39855%0.548SS..Hα-helixtrans-62-41.2177.9-69.8174000112.5H99 Q100 Q106 Q107H99-L103 WeakPolarHBondContact O-CG 3.34Å; H99-L103 PolarHBondContact O-N 2.87Å; Q100-L103 PolarHBondContact O-N 3.4Å; L103-Q106 PolarHBondContact O-N 3.27Å; L103-Q107 PolarHBondContact O-N 2.79Å; L103-Q107 VanDerWaalsContact O-N 3.07Å
104I84.9Confident73Confident101 Ų101111.4 Ų111.452%0.51855%0.547SS..Hα-helixtrans-63.7-42.6175.7-69.3165.3000110.7Q100 Q101 Y102 Q107 L108Q100-I104 HydrophobicContact CG-CD1 4.11Å; Q100-I104 WeakPolarHBondContact O-CD1 3.17Å; Q100-I104 VanDerWaalsContact O-CG1 3.29Å; Q100-I104 WeakPolarHBondContact O-CG1 3.5Å; Q100-I104 PolarHBondContact O-N 3.32Å; Q100-I104 VanDerWaalsContact O-N 3.07Å; Q101-I104 PolarHBondContact O-N 3.33Å; Y102-I104 PolarHBondContact O-N 3.12Å; I104-Q107 PolarHBondContact O-N 3.24Å; I104-L108 HydrophobicContact CG2-CD1 4.41Å; I104-L108 PolarHBondContact O-N 3.11Å; I104-L108 VanDerWaalsContact O-N 3.11Å
105Q85.6Confident73.5Confident124 Ų124114 Ų11458%0.57955%0.548SS*.Hα-helixtrans-64.3-39.6176.9-175.5162.153.800112Q101 Y102 L108 I109Q101-Q105 WeakPolarHBondContact O-CB 3.35Å; Q101-Q105 PolarHBondContact O-N 3.15Å; Y102-Q105 PolarHBondContact O-N 3.46Å; Q105-L108 WeakPolarHBondContact O-CB 3.39Å; Q105-L108 PolarHBondContact O-N 3.12Å; Q105-I109 HydrophobicContact CG-CD1 4.14Å; Q105-I109 WeakPolarHBondContact O-CG1 3.42Å; Q105-I109 PolarHBondContact O-N 3.35Å; Q105-I109 VanDerWaalsContact O-N 3.1Å
106Q82.9Confident73.6Confident79 Ų79115.9 Ų115.937%0.36955%0.551SS.*Hα-helixtrans-65.2-44.2178.1-166.1162.820.600112Y102 L103 L108 I109 E110Y102-Q106 VanDerWaalsContact CE1-OE1 3.24Å; Y102-Q106 WeakPolarHBondContact O-CB 3.38Å; Y102-Q106 PolarHBondContact O-N 2.99Å; L103-Q106 PolarHBondContact O-N 3.27Å; Q106-L108 VanDerWaalsContact C-N 3.32Å; Q106-L108 PolarHBondContact O-N 3.06Å; Q106-I109 PolarHBondContact O-N 2.79Å; Q106-E110 PolarHBondContact O-N 3.06Å
107Q83.8Confident73.2Confident144 Ų144113.9 Ų113.967%0.67355%0.545SS*.Hα-helixtrans-63.1-35.7174.5-71.6-168.26.800113.1L103 I104 E110 A111L103-Q107 PolarHBondContact O-N 2.79Å; L103-Q107 VanDerWaalsContact O-N 3.07Å; I104-Q107 PolarHBondContact O-N 3.24Å; Q107-E110 PolarHBondContact O-N 3.49Å; Q107-A111 VanDerWaalsContact O-CB 3.26Å; Q107-A111 WeakPolarHBondContact O-CB 3.28Å; Q107-A111 PolarHBondContact O-N 2.86Å
108L86.1Confident72.5Confident95 Ų95116.7 Ų116.750%0.49756%0.558SS.*Hα-helixtrans-63-43.5174.9-100159.2000112.1I104 Q105 Q106 A111 Q112I104-L108 HydrophobicContact CG2-CD1 4.41Å; I104-L108 PolarHBondContact O-N 3.11Å; I104-L108 VanDerWaalsContact O-N 3.11Å; Q105-L108 WeakPolarHBondContact O-CB 3.39Å; Q105-L108 PolarHBondContact O-N 3.12Å; Q106-L108 VanDerWaalsContact C-N 3.32Å; Q106-L108 PolarHBondContact O-N 3.06Å; L108-A111 PolarHBondContact O-N 3.04Å; L108-Q112 WeakPolarHBondContact O-CG 3.38Å; L108-Q112 PolarHBondContact O-N 2.76Å
109I77.2Confident71.5Confident101 Ų101118.7 Ų118.752%0.51856%0.564SS.*Hα-helixtrans-64.6-44.6177-67.1164.4000110.6Q105 Q106 A111 Q112 H113Q105-I109 HydrophobicContact CG-CD1 4.14Å; Q105-I109 WeakPolarHBondContact O-CG1 3.42Å; Q105-I109 PolarHBondContact O-N 3.35Å; Q105-I109 VanDerWaalsContact O-N 3.1Å; Q106-I109 PolarHBondContact O-N 2.79Å; I109-A111 PolarHBondContact O-N 3.1Å; I109-Q112 PolarHBondContact O-N 3.24Å; I109-H113 PolarHBondContact O-N 2.92Å
110E76.4Confident69.6Low113 Ų113118.8 Ų118.853%0.52858%0.578SS.*Hα-helixtrans-63.7-39.3176.4-71.5-179.5-174.100112.6Q106 Q107 Q112 H113 R114Q106-E110 PolarHBondContact O-N 3.06Å; Q107-E110 PolarHBondContact O-N 3.49Å; E110-Q112 VanDerWaalsContact C-N 3.32Å; E110-Q112 PolarHBondContact O-N 3.43Å; E110-H113 PolarHBondContact O-N 3.24Å; E110-R114 PolarHBondContact O-N 2.87Å
111A72.4Confident67.8Low41 Ų41117.9 Ų117.934%0.33959%0.586SS.*Hα-helixtrans-70.9-24.1175.800000113.4Q107 L108 I109 R115Q107-A111 VanDerWaalsContact O-CB 3.26Å; Q107-A111 WeakPolarHBondContact O-CB 3.28Å; Q107-A111 PolarHBondContact O-N 2.86Å; L108-A111 PolarHBondContact O-N 3.04Å; I109-A111 PolarHBondContact O-N 3.1Å; A111-R115 PolarHBondContact O-NE 2.91Å; A111-R115 VanDerWaalsContact O-NE 3.15Å
112Q71.8Confident66.1Low104 Ų104123.2 Ų123.249%0.48660%0.601SS.*Hα-helixtrans-75.4-44.1167.2-74.6176.5-45.300110.7L108 I109 E110 R114 R115 I116L108-Q112 WeakPolarHBondContact O-CG 3.38Å; L108-Q112 PolarHBondContact O-N 2.76Å; I109-Q112 PolarHBondContact O-N 3.24Å; E110-Q112 VanDerWaalsContact C-N 3.32Å; E110-Q112 PolarHBondContact O-N 3.43Å; Q112-R114 VanDerWaalsContact C-N 3.35Å; Q112-R114 PolarHBondContact O-N 3.34Å; Q112-R115 WeakPolarHBondContact O-CA 3.37Å; Q112-R115 PolarHBondContact O-N 2.95Å; Q112-I116 WeakPolarHBondContact O-CG1 3.48Å; Q112-I116 PolarHBondContact O-N 2.85Å
113H64.2Low64.1Low115 Ų115127.6 Ų127.653%0.53262%0.617SS.*Hα-helixtrans-61.2-40.4178.8-161.1-116.7000112.4I109 E110 R115 I116 L117I109-H113 PolarHBondContact O-N 2.92Å; E110-H113 PolarHBondContact O-N 3.24Å; H113-R115 PolarHBondContact O-N 2.93Å; H113-I116 PolarHBondContact O-N 3.45Å; H113-L117 WeakPolarHBondContact CE1-CD1 3.46Å; H113-L117 PolarHBondContact O-N 3.23Å
114R63.6Low61.6Low192 Ų192130.9 Ų130.973%0.72564%0.64SS**Hα-helixtrans-65-17.2171.2-75.9-167.7-174.2-113.95.1115E110 Q112E110-R114 PolarHBondContact O-N 2.87Å; Q112-R114 VanDerWaalsContact C-N 3.35Å; Q112-R114 PolarHBondContact O-N 3.34Å
115R64.3Low59.3Low191 Ų191133.5 Ų133.572%0.72165%0.65SS**Hα-helixtrans-94.6-22174.4-78.1-173.1-82.5-167.7-2.1113.2A111 Q112 H113A111-R115 PolarHBondContact O-NE 2.91Å; A111-R115 VanDerWaalsContact O-NE 3.15Å; Q112-R115 WeakPolarHBondContact O-CA 3.37Å; Q112-R115 PolarHBondContact O-N 2.95Å; H113-R115 PolarHBondContact O-N 2.93Å
116I60Low57.1Low130 Ų130136 Ų13667%0.66766%0.661SS**Hα-helixtrans-89.2-32.2-179.4-66.1163.9000111.4Q112 H113 P118Q112-I116 WeakPolarHBondContact O-CG1 3.48Å; Q112-I116 PolarHBondContact O-N 2.85Å; H113-I116 PolarHBondContact O-N 3.45Å; I116-P118 WeakPolarHBondContact O-CD 3.3Å
117L49.8Very low54.6Low101 Ų101143.6 Ų143.653%0.52969%0.687SS.*SBendtrans-89.3104.8168.2-77.4162.3000110H113 H119H113-L117 WeakPolarHBondContact CE1-CD1 3.46Å; H113-L117 PolarHBondContact O-N 3.23Å; L117-H119 PolarHBondContact O-N 2.82Å
118P44.6Very low52.4Low113 Ų113143.8 Ų143.873%0.73469%0.691SS**  trans-60.9138.6164.228.4-33.6000108.3I116 S120I116-P118 WeakPolarHBondContact O-CD 3.3Å; P118-S120 PolarHBondContact O-N 3.25Å
119H42Very low49.8Very low160 Ų160145 Ų14574%0.74171%0.705SS**  trans-53.1112.9179-72-78000110.7L117 S121L117-H119 PolarHBondContact O-N 2.82Å; H119-S121 VanDerWaalsContact C-N 3.26Å; H119-S121 PolarHBondContact O-N 2.91Å
120S37.5Very low47.7Very low120 Ų120147.7 Ų147.784%0.83972%0.719SS**  trans-65.492.8165.246.90000107.9P118 R122P118-S120 PolarHBondContact O-N 3.25Å; S120-R122 PolarHBondContact O-N 3.47Å; S120-R122 VanDerWaalsContact O-N 3.09Å
121S38.1Very low45.7Very low114 Ų114149.7 Ų149.780%0.79773%0.734SS**  trans-59.8110.4-166.452.40000112.2H119H119-S121 VanDerWaalsContact C-N 3.26Å; H119-S121 PolarHBondContact O-N 2.91Å
122R42.1Very low44.4Very low242 Ų242151.7 Ų151.791%0.91374%0.743SS**  trans-120.6130.3161.1-127.4-178.3-173.4-142.40.4108.8S120S120-R122 PolarHBondContact O-N 3.47Å; S120-R122 VanDerWaalsContact O-N 3.09Å
123R35.9Very low42.5Very low224 Ų224155.1 Ų155.185%0.84576%0.759SS**  trans71.785.2-170.3-69-175.1162.4-177.3-4.6116.5
124T31.3Very low41Very low145 Ų145161.1 Ų161.189%0.8978%0.776SS**  -118.3115.9122.3-47.60000107
125Q36.4Very low39.8Very low155 Ų155160 Ų16072%0.72478%0.784SS**  trans-96.9140.7175.2-158169.4-16.700107.1
126E38.1Very low38.2Very low176 Ų176162.6 Ų162.682%0.82279%0.794SS**  trans60.1105.8175.5-54.8-157.9125.900119
127R30.6Very low37Very low240 Ų240161 Ų16191%0.90679%0.794SS**  -155.1118.3117.9-111179.4-162.2176.76.4110.5P129R127-P129 WeakPolarHBondContact O-CD 3.39Å
128I38.3Very low35.9Very low148 Ų148159.7 Ų159.776%0.75981%0.805SS**PPolyproline II helixtrans-87.3124.3164.3-66.2161.2000107.4L130I128-L130 HydrophobicContact CG2-CG 4.41Å
129P31.8Very low35.6Very low121 Ų121164.6 Ų164.679%0.78681%0.811SS**PPolyproline II helixtrans-94.1123.1155.9-2.423.1000108.8R127R127-P129 WeakPolarHBondContact O-CD 3.39Å
130L31.7Very low34.9Very low157 Ų157166.3 Ų166.382%0.82282%0.819SS**PPolyproline II helixtrans-76.6163.1170.9-73163.3000111.4I128I128-L130 HydrophobicContact CG2-CG 4.41Å
131N34.6Very low34.8Very low155 Ų155171.2 Ų171.283%0.82982%0.821SS**  trans89.6151.5159.1-94.3-2.5000120
132P45.6Very low34.6Very low82 Ų82171 Ų17153%0.53282%0.819SS.*  -136.9-159.4-12538-14.9000113.9
133H32.4Very low34.4Very low177 Ų177164.9 Ų164.982%0.81981%0.811SS**  trans76.8139.4-176.9-40.5-65.9000113
134R33.3Very low34.5Very low240 Ų240160.3 Ų160.391%0.90681%0.81SS**  cis-149147.725-141.8179.3-148.3-172.45.8111.3
135L38.5Very low34.7Very low170 Ų170161 Ų16189%0.8981%0.807SS**  trans-66.2145173.1-72.1155.6000112.7
136R30.3Very low34.5Very low244 Ų244161.2 Ų161.292%0.92181%0.807SS**  trans-151.1123.7134.9-117.1-168.1-170.7-95.33.9111.2
137S33.5Very low34.5Very low96 Ų96158.4 Ų158.467%0.67180%0.802SS**  trans-82.8150.2161.9179.50000109.4
138G27.6Very low34.7Very low74 Ų74152 Ų15276%0.76379%0.791SS**  trans-168.6102.817900000110.2
139Y38Very low34.5Very low216 Ų216153.4 Ų153.485%0.84780%0.795SS**  trans-75136.4172.6-62.6-103.5000109.7
140E27.9Very low34.8Very low196 Ų196153 Ų15392%0.91679%0.792SS**  trans-155.4159.5143.5-125.8176.2152.300113
141Y34Very low34.8Very low224 Ų224153.4 Ų153.488%0.87879%0.794SS**  trans-68.9159.9-165.6-113.1-119.4000114.8
142S34Very low34.8Very low109 Ų109152 Ų15276%0.76279%0.791SS**  trans-142.8146.5157.9-75.10000110.7
143P38.7Very low34.1Very low114 Ų114157.1 Ų157.174%0.7481%0.807SS**PPolyproline II helixtrans-82.6163.5-165.7-8.828000113.6
144P38.7Very low33.9Very low128 Ų128157.7 Ų157.783%0.83181%0.81SS**PPolyproline II helixtrans-75.7136-174.130.8-35000113
145I34.8Very low34.3Very low159 Ų159151.2 Ų151.282%0.81580%0.8SS**PPolyproline II helixtrans-85.5125167.4-65.9178.2000109.1
146H33.3Very low34Very low160 Ų160154.9 Ų154.974%0.74180%0.802SS**PPolyproline II helixtrans-76.5123.2178.7175.2-75.5000111.4
147V37.7Very low34.1Very low116 Ų116153.8 Ų153.870%0.70380%0.799SS**  trans-105.4115.8177.5-178.30000110.3
148P34.2Very low34.1Very low106 Ų106157.2 Ų157.269%0.68881%0.809SS**PPolyproline II helixtrans-79128.9165.5-7.425.4000110.5
149Q34.2Very low34.3Very low178 Ų178157.4 Ų157.483%0.83280%0.804SS**PPolyproline II helixtrans-86.3164171.9-89.8-147.47.800112.4
150P38.1Very low34.3Very low112 Ų112156.7 Ų156.773%0.72781%0.808SS**PPolyproline II helixtrans-86152.8-158.733.7-36.2000114.3
151I31.4Very low34.4Very low166 Ų166150.9 Ų150.985%0.85180%0.8SS**  trans-108.3126.9165.3-65.6177.6000109.3
152T34.5Very low34.5Very low126 Ų126146.1 Ų146.177%0.77380%0.795SS**  trans-83.3129.6-179.446.80000112.7
153Q31.4Very low34.4Very low188 Ų188147.6 Ų147.688%0.87979%0.794SS**  trans-149.3131.4146-66.6-162.10.300110.7
154Q27.9Very low34.1Very low189 Ų189152.6 Ų152.688%0.88380%0.799SS**  trans-100.3-167.1165.1-58.3-174.2-47.800109.7
155P42.4Very low33.7Very low105 Ų105151.7 Ų151.768%0.68279%0.787SS**  -118.5171.9-99.836.3-18.9000112.7
156R32.3Very low33.6Very low247 Ų247151.7 Ų151.793%0.93279%0.788SS**  trans-137.1124.4156.6-77.1-160.2171167.40.1112.8
157Y32Very low33.6Very low221 Ų221148.7 Ų148.787%0.86778%0.784SS**  trans-79.7145159.7-92.8-104.1000109.8
158L32.8Very low33.9Very low167 Ų167149.8 Ų149.887%0.87479%0.791SS**  trans163.2106.1149.2-88.9166.7000103.9
159A33.1Very low33.8Very low79 Ų79152.5 Ų152.565%0.65380%0.8SS**  81.613574.600000112.9
160E36.1Very low34.1Very low200 Ų200148.3 Ų148.394%0.93580%0.796SS**  trans77.7129.2166.7-60.5173.3-167.100119.3
161G31.9Very low34Very low74 Ų74146.4 Ų146.476%0.76380%0.796SS**  trans71.690.514900000119.1D163G161-D163 PolarHBondContact O-N 2.99Å
162T35.1Very low34.1Very low125 Ų125146.5 Ų146.577%0.76780%0.798SS**  trans-76.179.5151.954.60000109.4
163D31.1Very low34.5Very low139 Ų139145.7 Ų145.774%0.74380%0.795SS**  trans-71.4124.9167.5-17225000109.4G161G161-D163 PolarHBondContact O-N 2.99Å
164W32.5Very low34.7Very low220 Ų220144.4 Ų144.483%0.83379%0.788SS**  trans-10849.2179.7-76.8104.9000110.4L166W164-L166 PolarHBondContact O-N 2.81Å
165D31.2Very low35.4Very low109 Ų109145 Ų14558%0.58379%0.791SS**  trans-89101.7170.6-165.649000111.8S167D165-S167 PolarHBondContact O-N 2.91Å; D165-S167 VanDerWaalsContact OD2-CB 3.27Å; D165-S167 WeakPolarHBondContact OD2-CB 3.3Å; D165-S167 PolarHBondContact OD2-OG 3.15Å
166L32.1Very low35Very low159 Ų159149.5 Ų149.583%0.83280%0.796SS**  trans-85.464166.2-81.6167.6000109.9W164 V168W164-L166 PolarHBondContact O-N 2.81Å; L166-V168 PolarHBondContact O-N 3.33Å; L166-V168 VanDerWaalsContact O-N 3.11Å
167S33.1Very low35.1Very low96 Ų96147 Ų14767%0.67180%0.795SS**  trans-66.7106.4163.5-84.40000109.7D165 D169D165-S167 PolarHBondContact O-N 2.91Å; D165-S167 VanDerWaalsContact OD2-CB 3.27Å; D165-S167 WeakPolarHBondContact OD2-CB 3.3Å; D165-S167 PolarHBondContact OD2-OG 3.15Å; S167-D169 PolarHBondContact O-N 3.14Å
168V44.1Very low35.3Very low139 Ų139144.1 Ų144.184%0.84279%0.794SS**  trans-68.9117.4165.3165.20000108.2L166L166-V168 PolarHBondContact O-N 3.33Å; L166-V168 VanDerWaalsContact O-N 3.11Å
169D33.2Very low35.7Very low163 Ų163145.1 Ų145.187%0.87279%0.794SS**  trans-133.9147.6151.9-151.2-9.5000110.7S167S167-D169 PolarHBondContact O-N 3.14Å
170A39.3Very low36.3Very low91 Ų91150.3 Ų150.375%0.75281%0.805SS**  trans-115.7117-161.600000112.2
171G37.5Very low36.5Very low71 Ų71146.2 Ų146.273%0.73279%0.789SS**  trans135.3111.9156.600000115.3
172L32.8Very low37.2Very low168 Ų168146.5 Ų146.588%0.8878%0.777SS**  -178.1152.6122.5-93.4169.9000109
173P43.5Very low38Very low110 Ų110148.2 Ų148.271%0.71478%0.776SS**  trans-94.5115.7-171.434.3-30.8000112.6
174H34.6Very low38.7Very low161 Ų161147.9 Ų147.975%0.74577%0.77SS**  trans-123.5124165.3-80.6-14000111.9Y176H174-Y176 HydrophobicContact CB-CD2 4.39Å; H174-Y176 HydrophobicContact CB-CE2 3.95Å; H174-Y176 PolarHBondContact O-N 2.82Å; H174-Y176 VanDerWaalsContact O-N 3.14Å
175Q42.8Very low39.2Very low202 Ų202143.9 Ų143.994%0.94476%0.756SS**  trans-75.497.1-178.7-65.6174.2-79.100110.3
176Y34.4Very low39.9Very low198 Ų198144.7 Ų144.778%0.77676%0.756SS**  trans-97104.6162.1-69.3-83.2000108.9H174 L178H174-Y176 HydrophobicContact CB-CD2 4.39Å; H174-Y176 HydrophobicContact CB-CE2 3.95Å; H174-Y176 PolarHBondContact O-N 2.82Å; H174-Y176 VanDerWaalsContact O-N 3.14Å; Y176-L178 VanDerWaalsContact C-N 3.33Å; Y176-L178 PolarHBondContact O-N 2.8Å
177Q34.4Very low40.6Very low195 Ų195145 Ų14591%0.91175%0.753SS**  trans-77.485.4178.5-168.2166.9-12.400109.6Q179Q177-Q179 PolarHBondContact O-N 3.18Å; Q177-Q179 VanDerWaalsContact O-N 3.15Å
178L35.4Very low41.1Very low161 Ų161150 Ų15084%0.84376%0.758SS**  trans-58.6114.8174-95.3163.6000110.3Y176 Q180Y176-L178 VanDerWaalsContact C-N 3.33Å; Y176-L178 PolarHBondContact O-N 2.8Å; L178-Q180 PolarHBondContact O-N 2.62Å
179Q42.2Very low41.1Very low187 Ų187150.3 Ų150.387%0.87475%0.754SS**PPolyproline II helixtrans-65.5123.1173.5-169.7146.7-2300109.2Q177 L181Q177-Q179 PolarHBondContact O-N 3.18Å; Q177-Q179 VanDerWaalsContact O-N 3.15Å; Q179-L181 PolarHBondContact O-N 3.32Å
180Q44.6Very low41.5Very low189 Ų189146.2 Ų146.288%0.88374%0.743SS**PPolyproline II helixtrans-65.3124.7-174-70.2-160.9-6.300111.4L178L178-Q180 PolarHBondContact O-N 2.62Å
181L41.5Very low41.7Very low114 Ų114146.7 Ų146.760%0.59774%0.741SS**PPolyproline II helixtrans-76.6136.4179.1-139.9139.7000109.4Q179 Q183 Y185Q179-L181 PolarHBondContact O-N 3.32Å; L181-Q183 PolarHBondContact O-N 3.47Å; L181-Y185 HydrophobicContact CD2-CG 4.31Å
182P45.8Very low41.9Very low79 Ų79148.7 Ų148.751%0.51374%0.741SS.*PPolyproline II helixtrans-54.9136.9-178.1-2936.2000113.4H184 Y185P182-H184 PolarHBondContact O-N 3.32Å; P182-Y185 PolarHBondContact O-N 3.13Å
183Q51.8Low42.6Very low161 Ų161151.3 Ų151.375%0.75274%0.739SS**G310 helixtrans-55.2-25.7-166.6-70.6-174.4-20.700115.5L181 Y185 Q186L181-Q183 PolarHBondContact O-N 3.47Å; Q183-Y185 PolarHBondContact O-N 3.47Å; Q183-Q186 PolarHBondContact O-N 3.44Å
184H45.7Very low42.4Very low132 Ų132153.9 Ų153.961%0.61174%0.744SS**G310 helixtrans-67.4-15.2-17865.2-88.9000114.7P182P182-H184 PolarHBondContact O-N 3.32Å
185Y43.1Very low42.9Very low137 Ų137152.9 Ų152.954%0.53774%0.739SS.*G310 helixtrans-93.9-9.7176.3-91.8-84000114.9L181 P182 Q183 H187 Y188L181-Y185 HydrophobicContact CD2-CG 4.31Å; P182-Y185 PolarHBondContact O-N 3.13Å; Q183-Y185 PolarHBondContact O-N 3.47Å; Y185-H187 VanDerWaalsContact C-N 3.31Å; Y185-H187 PolarHBondContact O-N 2.92Å; Y185-Y188 PolarHBondContact O-N 2.77Å
186Q45.8Very low42.8Very low125 Ų125152.5 Ų152.558%0.58474%0.737SS**G310 helixtrans-69.9-25.4-175.2-68.8-164.6-42.800113.9Q183 Y188 A190Q183-Q186 PolarHBondContact O-N 3.44Å; Q186-Y188 VanDerWaalsContact C-N 3.29Å; Q186-Y188 PolarHBondContact O-N 3.31Å; Q186-A190 PolarHBondContact O-N 3.23Å
187H46.9Very low42.9Very low167 Ų167151.6 Ų151.677%0.77374%0.737SS**G310 helixtrans-73.6-15.1-178.1-63.5-67.5000114.7Y185Y185-H187 VanDerWaalsContact C-N 3.31Å; Y185-H187 PolarHBondContact O-N 2.92Å
188Y44.7Very low43.1Very low201 Ų201147.4 Ų147.479%0.78873%0.727SS**G310 helixtrans-99-10.6-179-74.1-78.4000114.5Y185 Q186Y185-Y188 PolarHBondContact O-N 2.77Å; Q186-Y188 VanDerWaalsContact C-N 3.29Å; Q186-Y188 PolarHBondContact O-N 3.31Å
189L43.4Very low43.5Very low144 Ų144151.8 Ų151.875%0.75473%0.733SS**THydrogen-bonded Turntrans-120-0.4-177.7-65.5177.6000114S191L189-S191 VanDerWaalsContact C-N 3.31Å; L189-S191 PolarHBondContact O-N 2.94Å
190A41.2Very low43.4Very low78 Ų78148.8 Ų148.865%0.64572%0.723SS**  trans-73.384.8171.200000110.4Q186Q186-A190 PolarHBondContact O-N 3.23Å
191S44.5Very low43.5Very low100 Ų100146.5 Ų146.570%0.69972%0.721SS**  trans-54.2134.5157.938.20000108.4L189 R193L189-S191 VanDerWaalsContact C-N 3.31Å; L189-S191 PolarHBondContact O-N 2.94Å; S191-R193 PolarHBondContact O-N 3.38Å
192P40.5Very low43.7Very low114 Ų114145.8 Ų145.874%0.7473%0.726SS**  trans-56.2118.7-178.9-25.634.2000109.4M194P192-M194 VanDerWaalsContact C-N 3.29Å; P192-M194 PolarHBondContact O-N 3.14Å
193R47Very low43.7Very low222 Ų222145.5 Ų145.584%0.83873%0.726SS**  trans-67.893.4179.7-168.8174.2-174.4147.31107.6S191 H195S191-R193 PolarHBondContact O-N 3.38Å; R193-H195 VanDerWaalsContact C-N 3.34Å; R193-H195 PolarHBondContact O-CD2 2.82Å; R193-H195 PolarHBondContact O-N 3.39Å
194M39.5Very low43.4Very low165 Ų165141.4 Ų141.481%0.81372%0.72SS**  trans-60.497178.7-74.9-68.6-73.900108.7P192 H196P192-M194 VanDerWaalsContact C-N 3.29Å; P192-M194 PolarHBondContact O-N 3.14Å; M194-H196 PolarHBondContact O-N 3.21Å
195H45.3Very low43.3Very low140 Ų140143.4 Ų143.465%0.64873%0.729SS**  trans-59.1129.7172.5-72-93.4000107.9R193 F197R193-H195 VanDerWaalsContact C-N 3.34Å; R193-H195 PolarHBondContact O-CD2 2.82Å; R193-H195 PolarHBondContact O-N 3.39Å; H195-F197 VanDerWaalsContact C-N 3.35Å; H195-F197 HydrophobicContact CB-CD2 4.32Å; H195-F197 HydrophobicContact CB-CE2 4.06Å; H195-F197 WeakPolarHBondContact O-CD2 3.35Å; H195-F197 PolarHBondContact O-N 2.78Å
196H41.4Very low43.3Very low194 Ų194142.2 Ų142.290%0.89874%0.736SS**  trans-61.998.6170.4-91.757.8000108.4M194M194-H196 PolarHBondContact O-N 3.21Å
197F36.1Very low43.5Very low178 Ų178140.6 Ų140.678%0.78174%0.735SS**  trans-80.5124.9173.2-87.3-82.6000109.3H195 R199H195-F197 VanDerWaalsContact C-N 3.35Å; H195-F197 HydrophobicContact CB-CD2 4.32Å; H195-F197 HydrophobicContact CB-CE2 4.06Å; H195-F197 WeakPolarHBondContact O-CD2 3.35Å; H195-F197 PolarHBondContact O-N 2.78Å; F197-R199 PolarHBondContact O-N 3.15Å
198P38.4Very low43.6Very low108 Ų108137.5 Ų137.570%0.70173%0.727SS**  trans-63.2137.117227.6-33.2000109.2N200P198-N200 VanDerWaalsContact C-N 3.35Å; P198-N200 PolarHBondContact O-N 2.88Å
199R45Very low43.4Very low253 Ų253134.6 Ų134.696%0.95572%0.72SS**  trans-66.886-175.9-172.4-172.9-169.8-153.95.4111F197F197-R199 PolarHBondContact O-N 3.15Å
200N40.3Very low43.6Very low124 Ų124134.3 Ų134.366%0.66372%0.715SS**  trans-129.2135.5173.6-1353.7000111.1P198 S202P198-N200 VanDerWaalsContact C-N 3.35Å; P198-N200 PolarHBondContact O-N 2.88Å; N200-S202 PolarHBondContact O-N 3.06Å
201T45.8Very low44.1Very low140 Ų140133.1 Ų133.186%0.85970%0.698SS**THydrogen-bonded Turntrans-79.827.6-156.6450000115.7
202S45.5Very low44.3Very low100 Ų100138.9 Ų138.970%0.69970%0.704SS**THydrogen-bonded Turntrans-114.6-8.2-172.4-44.60000114.6N200 A204N200-S202 PolarHBondContact O-N 3.06Å; S202-A204 VanDerWaalsContact C-N 3.31Å; S202-A204 PolarHBondContact O-N 2.89Å
203S46.6Very low44.6Very low73 Ų73139.5 Ų139.551%0.5170%0.701SS.*G310 helixtrans-78.4-5.1-171.8540000115.6Q205 V206S203-Q205 PolarHBondContact O-N 3.14Å; S203-V206 PolarHBondContact O-N 3.12Å; S203-V206 VanDerWaalsContact O-N 3.11Å
204A45.8Very low44.8Very low75 Ų75135.8 Ų135.862%0.6269%0.688SS**G310 helixtrans-59.4-22.2-17600000114.5S202S202-A204 VanDerWaalsContact C-N 3.31Å; S202-A204 PolarHBondContact O-N 2.89Å
205Q42.9Very low45.3Very low174 Ų174132.9 Ų132.981%0.81368%0.682SS**G310 helixtrans-82.3-21.7178.4-63.9-140.6-14.300114.5S203S203-Q205 PolarHBondContact O-N 3.14Å
206V43.6Very low45.7Very low112 Ų112133.3 Ų133.368%0.67968%0.679SS**THydrogen-bonded Turntrans-79.9-35.7-178.7-174.90000111.1S203 V208 H209S203-V206 PolarHBondContact O-N 3.12Å; S203-V206 VanDerWaalsContact O-N 3.11Å; V206-V208 PolarHBondContact O-N 3.02Å; V206-H209 PolarHBondContact O-N 2.81Å
207V50Low46.3Very low91 Ų91129.2 Ų129.255%0.55267%0.669SS**Hα-helixtrans-65.7-24.8-178.2-175.40000112.5I211V207-I211 HydrophobicContact CG1-CD1 4.05Å; V207-I211 VanDerWaalsContact O-CD1 3.28Å; V207-I211 WeakPolarHBondContact O-CD1 3.15Å; V207-I211 WeakPolarHBondContact O-CG1 3.21Å
208V48.4Very low47.1Very low101 Ų101128.4 Ų128.461%0.61267%0.668SS**Hα-helixtrans-76.4-25.3-176.6179.90000113V206V206-V208 PolarHBondContact O-N 3.02Å
209H41.1Very low47.8Very low140 Ų140127.1 Ų127.165%0.64866%0.655SS**Hα-helixtrans-74.9-42.3-174.5-158.477.4000112.7V206 I211V206-H209 PolarHBondContact O-N 2.81Å; H209-I211 PolarHBondContact O-N 3.1Å
210E47.7Very low48.1Very low138 Ų138118.8 Ų118.865%0.64563%0.626SS**Hα-helixtrans-72.8-26.1-176.8-69.2-62.4120.600113.7R212 N213E210-R212 PolarHBondContact O-N 3.41Å; E210-N213 PolarHBondContact O-N 3.24Å
211I50.4Low48.7Very low54 Ų54118.2 Ų118.228%0.27762%0.623SS.*G310 helixtrans-69.8-20-178.3-64.2170.9000112.1V207 H209 N213 H220V207-I211 HydrophobicContact CG1-CD1 4.05Å; V207-I211 VanDerWaalsContact O-CD1 3.28Å; V207-I211 WeakPolarHBondContact O-CD1 3.15Å; V207-I211 WeakPolarHBondContact O-CG1 3.21Å; H209-I211 PolarHBondContact O-N 3.1Å; I211-N213 VanDerWaalsContact C-N 3.34Å; I211-N213 PolarHBondContact O-N 2.9Å; I211-H220 WeakPolarHBondContact CG2-ND1 3.12Å
212R48Very low49.1Very low221 Ų221116.7 Ų116.783%0.83461%0.609SS**G310 helixtrans-73.5-20.1-179.2-108.7-174.6-179.1-167.51.1114.8E210E210-R212 PolarHBondContact O-N 3.41Å
213N48Very low49.4Very low127 Ų127113.7 Ų113.768%0.67959%0.59SS**G310 helixtrans-1049.8-175.3-64.9-29.4000113.4E210 I211E210-N213 PolarHBondContact O-N 3.24Å; I211-N213 VanDerWaalsContact C-N 3.34Å; I211-N213 PolarHBondContact O-N 2.9Å
214Y50.5Low49.7Very low143 Ų143114.8 Ų114.856%0.56159%0.59SS**  trans-72.7127.8-176.5-155.4-101.6000111.8Y216 L219Y214-Y216 PolarHBondContact O-N 3.43Å; Y214-L219 HydrophobicContact CE1-CB 4.23Å; Y214-L219 HydrophobicContact CE1-CD1 3.92Å
215P51Low50Low105 Ų105117.2 Ų117.268%0.68259%0.588SS**SBendtrans-73.7-1.3-167.827-34.5000115.5
216Y53.2Low50.3Low149 Ų149112.6 Ų112.658%0.58458%0.575SS**  trans-126.3100.2-179.8-74.8-83.8000111.3Y214 Q218 L219Y214-Y216 PolarHBondContact O-N 3.43Å; Y216-Q218 PolarHBondContact O-N 3.15Å; Y216-L219 PolarHBondContact O-N 3.39Å
217P54.9Low50.8Low108 Ų108114.3 Ų114.370%0.70158%0.58SS**THydrogen-bonded Turntrans-67-20.5-175.626.3-34.6000113.6L219 H220P217-L219 VanDerWaalsContact C-N 3.3Å; P217-L219 PolarHBondContact O-N 3.33Å; P217-H220 VanDerWaalsContact O-CB 3.25Å; P217-H220 WeakPolarHBondContact O-CB 3.34Å; P217-H220 PolarHBondContact O-N 3.06Å
218Q51.8Low50.9Low161 Ų161113.9 Ų113.975%0.75257%0.574SS**Hα-helixtrans-65.5-31176.1-71174.2-25.900112.9Y216 H220Y216-Q218 PolarHBondContact O-N 3.15Å; Q218-H220 VanDerWaalsContact C-N 3.33Å
219L52.3Low51.1Low81 Ų81113.9 Ų113.942%0.42458%0.576SS.*Hα-helixtrans-82.6-11.4179.7-65.9172.7000113Y214 Y216 P217 L221 L222 A223Y214-L219 HydrophobicContact CE1-CB 4.23Å; Y214-L219 HydrophobicContact CE1-CD1 3.92Å; Y216-L219 PolarHBondContact O-N 3.39Å; P217-L219 VanDerWaalsContact C-N 3.3Å; P217-L219 PolarHBondContact O-N 3.33Å; L219-L221 VanDerWaalsContact C-N 3.27Å; L219-L221 PolarHBondContact O-N 3.26Å; L219-L222 HydrophobicContact CD2-CD2 4.39Å; L219-L222 PolarHBondContact O-N 3.11Å; L219-A223 PolarHBondContact O-N 3.47Å
220H51.7Low51.5Low77 Ų77111.7 Ų111.736%0.35658%0.577SS.*Hα-helixtrans-63.2-33.5175.4-165.690.7000112.2I211 P217 Q218 A223 L224I211-H220 WeakPolarHBondContact CG2-ND1 3.12Å; P217-H220 VanDerWaalsContact O-CB 3.25Å; P217-H220 WeakPolarHBondContact O-CB 3.34Å; P217-H220 PolarHBondContact O-N 3.06Å; Q218-H220 VanDerWaalsContact C-N 3.33Å; H220-A223 PolarHBondContact O-N 3.02Å; H220-L224 WeakPolarHBondContact O-CG 3.33Å; H220-L224 PolarHBondContact O-N 3.42Å; H220-L224 VanDerWaalsContact O-N 3.12Å
221L53.1Low51.6Low113 Ų113114.1 Ų114.159%0.59258%0.58SS**Hα-helixtrans-68.1-40.3175.4-86.9160000112.5L219 A223 L224 Q225L219-L221 VanDerWaalsContact C-N 3.27Å; L219-L221 PolarHBondContact O-N 3.26Å; L221-A223 VanDerWaalsContact C-N 3.35Å; L221-L224 PolarHBondContact O-N 3.12Å; L221-Q225 VanDerWaalsContact O-CG 3.28Å; L221-Q225 WeakPolarHBondContact O-CG 3.07Å; L221-Q225 PolarHBondContact O-N 3.42Å; L221-Q225 VanDerWaalsContact O-N 3.14Å
222L54.3Low51.5Low107 Ų107116.9 Ų116.956%0.5659%0.592SS**Hα-helixtrans-64.6-40.5173.7-8375.8000111.1L219 L224 Q225 S226L219-L222 HydrophobicContact CD2-CD2 4.39Å; L219-L222 PolarHBondContact O-N 3.11Å; L222-L224 VanDerWaalsContact C-N 3.35Å; L222-L224 PolarHBondContact O-N 3.4Å; L222-Q225 PolarHBondContact O-N 2.94Å; L222-S226 PolarHBondContact O-N 3.07Å
223A52.1Low51.5Low37 Ų37109.6 Ų109.631%0.30658%0.578SS.*Hα-helixtrans-61.2-40.4177.200000112.4L219 H220 L221 S226L219-A223 PolarHBondContact O-N 3.47Å; H220-A223 PolarHBondContact O-N 3.02Å; L221-A223 VanDerWaalsContact C-N 3.35Å; A223-S226 WeakPolarHBondContact O-CB 3.47Å; A223-S226 PolarHBondContact O-N 3.22Å; A223-S226 PolarHBondContact O-OG 3.38Å
224L52.7Low51.8Low96 Ų96106.8 Ų106.850%0.50357%0.566SS.*Hα-helixtrans-73.7-24.9177.4-66.4169.4000113.3H220 L221 L222 S226H220-L224 WeakPolarHBondContact O-CG 3.33Å; H220-L224 PolarHBondContact O-N 3.42Å; H220-L224 VanDerWaalsContact O-N 3.12Å; L221-L224 PolarHBondContact O-N 3.12Å; L222-L224 VanDerWaalsContact C-N 3.35Å; L222-L224 PolarHBondContact O-N 3.4Å; L224-S226 VanDerWaalsContact C-N 3.27Å; L224-S226 PolarHBondContact O-N 3.14Å
225Q52.5Low52Low126 Ų126102.4 Ų102.459%0.58956%0.559SS**Hα-helixtrans-72.6-17.5172.9-71.9167.9-300113.1L221 L222 L227L221-Q225 VanDerWaalsContact O-CG 3.28Å; L221-Q225 WeakPolarHBondContact O-CG 3.07Å; L221-Q225 PolarHBondContact O-N 3.42Å; L221-Q225 VanDerWaalsContact O-N 3.14Å; L222-Q225 PolarHBondContact O-N 2.94Å; Q225-L227 PolarHBondContact O-N 3.23Å; Q225-L227 VanDerWaalsContact O-N 3.13Å
226S49.9Very low52.1Low78 Ų78101 Ų10155%0.54555%0.548SS..THydrogen-bonded Turntrans-65.8-11.8-179.473.80000115.3L222 A223 L224 N228L222-S226 PolarHBondContact O-N 3.07Å; A223-S226 WeakPolarHBondContact O-CB 3.47Å; A223-S226 PolarHBondContact O-N 3.22Å; A223-S226 PolarHBondContact O-OG 3.38Å; L224-S226 VanDerWaalsContact C-N 3.27Å; L224-S226 PolarHBondContact O-N 3.14Å; S226-N228 PolarHBondContact O-N 3.34Å
227L53.5Low52.4Low147 Ų147101.6 Ų101.677%0.7755%0.55SS*.THydrogen-bonded Turntrans-73.80.8-179.7-66173.2000114.4Q225Q225-L227 PolarHBondContact O-N 3.23Å; Q225-L227 VanDerWaalsContact O-N 3.13Å
228N51.6Low52.5Low82 Ų82102.2 Ų102.244%0.43954%0.543SS..  trans-136.792.7179.2-152-51.6000112.3S226 S230 R231S226-N228 PolarHBondContact O-N 3.34Å; N228-S230 PolarHBondContact O-N 3.47Å; N228-S230 VanDerWaalsContact O-N 3.12Å; N228-R231 PolarHBondContact O-N 3.23Å; N228-R231 VanDerWaalsContact O-N 3.15Å
229P51.9Low53.5Low101 Ų10197.1 Ų97.166%0.65653%0.526SS*.Hα-helixtrans-54.6-35.8-173.8-27.634.9000114.1R231 H232 A233P229-R231 VanDerWaalsContact C-N 3.29Å; P229-R231 PolarHBondContact O-N 3.42Å; P229-H232 PolarHBondContact O-N 2.93Å; P229-A233 PolarHBondContact O-N 3.39Å
230S50.8Low54.6Low94 Ų94100.1 Ų100.166%0.65753%0.532SS*.Hα-helixtrans-70-21.1-175.4-46.40000114.2N228 T234N228-S230 PolarHBondContact O-N 3.47Å; N228-S230 VanDerWaalsContact O-N 3.12Å; S230-T234 PolarHBondContact O-OG1 2.84Å
231R49.7Very low56Low189 Ų18999.9 Ų99.971%0.71353%0.531SS*.Hα-helixtrans-92.4-24.1175.9-68.6-171.1174.7-159.2-2.6113N228 P229 T234 A235N228-R231 PolarHBondContact O-N 3.23Å; N228-R231 VanDerWaalsContact O-N 3.15Å; P229-R231 VanDerWaalsContact C-N 3.29Å; P229-R231 PolarHBondContact O-N 3.42Å; R231-T234 PolarHBondContact O-OG1 3.13Å; R231-A235 WeakPolarHBondContact O-CB 3.34Å; R231-A235 PolarHBondContact O-N 3.29Å
232H47.4Very low57.2Low113 Ų113100.3 Ų100.352%0.52353%0.531SS..Hα-helixtrans-71.6-40.5177.9-169.5-86.9000111.4P229 T234 V236P229-H232 PolarHBondContact O-N 2.93Å; H232-T234 PolarHBondContact O-N 2.92Å; H232-V236 WeakPolarHBondContact O-CB 3.47Å; H232-V236 WeakPolarHBondContact O-CG2 3.39Å; H232-V236 PolarHBondContact O-N 2.82Å
233A49.4Very low58.3Low67 Ų67100.5 Ų100.555%0.55453%0.531SS*.Hα-helixtrans-62-40.6177.800000112.8P229 R237P229-A233 PolarHBondContact O-N 3.39Å; A233-R237 WeakPolarHBondContact O-CB 3.37Å; A233-R237 PolarHBondContact O-N 3.1Å
234T53.8Low59.3Low68 Ų68102.2 Ų102.242%0.41754%0.535SS..Hα-helixtrans-73-47.8174.934.20000112.5S230 R231 H232 V236 R237 E238S230-T234 PolarHBondContact O-OG1 2.84Å; R231-T234 PolarHBondContact O-OG1 3.13Å; H232-T234 PolarHBondContact O-N 2.92Å; T234-V236 PolarHBondContact O-N 2.74Å; T234-R237 CarbonylContact O-C 3.57Å; T234-R237 WeakPolarHBondContact O-CB 3.34Å; T234-R237 PolarHBondContact O-N 2.62Å; T234-R237 VanDerWaalsContact O-N 3.11Å; T234-E238 WeakPolarHBondContact O-CB 3.35Å; T234-E238 VanDerWaalsContact O-CG 3.28Å; T234-E238 WeakPolarHBondContact O-CG 3.47Å; T234-E238 PolarHBondContact O-N 3.39Å
235A54.3Low60.6Low51 Ų51103.1 Ų103.142%0.42154%0.537SS..Hα-helixtrans-63.4-37.3-178.700000113.4R231 S239R231-A235 WeakPolarHBondContact O-CB 3.34Å; R231-A235 PolarHBondContact O-N 3.29Å; A235-S239 PolarHBondContact O-N 2.88Å; A235-S239 VanDerWaalsContact O-N 3.1Å; A235-S239 PolarHBondContact O-OG 2.95Å
236V53.8Low61.5Low75 Ų75100.6 Ų100.646%0.45553%0.527SS..Hα-helixtrans-71.2-35.3174.21750000111.4H232 T234 S239 Y240H232-V236 WeakPolarHBondContact O-CB 3.47Å; H232-V236 WeakPolarHBondContact O-CG2 3.39Å; H232-V236 PolarHBondContact O-N 2.82Å; T234-V236 PolarHBondContact O-N 2.74Å; V236-S239 WeakPolarHBondContact CA-OG 3.46Å; V236-S239 PolarHBondContact O-OG 2.82Å; V236-S239 VanDerWaalsContact O-OG 3.12Å; V236-Y240 WeakPolarHBondContact O-CB 3.34Å; V236-Y240 PolarHBondContact O-N 3.25Å
237R58.3Low62.5Low162 Ų162103.4 Ų103.461%0.61153%0.531SS*.Hα-helixtrans-67.9-44.5174179.8175176.513910.2112.4A233 T234 Y240 E241A233-R237 WeakPolarHBondContact O-CB 3.37Å; A233-R237 PolarHBondContact O-N 3.1Å; T234-R237 CarbonylContact O-C 3.57Å; T234-R237 WeakPolarHBondContact O-CB 3.34Å; T234-R237 PolarHBondContact O-N 2.62Å; T234-R237 VanDerWaalsContact O-N 3.11Å; R237-Y240 PolarHBondContact O-N 3.01Å; R237-E241 HydrophobicContact CG-CG 4.34Å; R237-E241 WeakPolarHBondContact CG-OE1 3.45Å; R237-E241 IonicContact CZ-OE1 3.34Å; R237-E241 IonicContact NE-OE1 2.74Å; R237-E241 PolarHBondContact NE-OE1 2.59Å; R237-E241 IonicContact NH2-OE1 3.03Å; R237-E241 PolarHBondContact NH2-OE1 3.15Å; R237-E241 WeakPolarHBondContact O-CB 3.46Å; R237-E241 WeakPolarHBondContact O-CG 3.18Å; R237-E241 PolarHBondContact O-N 2.83Å
238E57.5Low63.3Low121 Ų121103.2 Ų103.257%0.56553%0.531SS*.Hα-helixtrans-61.6-43.7178.2-74.8162.8-170.900111.1T234 E241 E242T234-E238 WeakPolarHBondContact O-CB 3.35Å; T234-E238 VanDerWaalsContact O-CG 3.28Å; T234-E238 WeakPolarHBondContact O-CG 3.47Å; T234-E238 PolarHBondContact O-N 3.39Å; E238-E241 PolarHBondContact O-N 3.46Å; E238-E242 WeakPolarHBondContact O-CB 3.44Å; E238-E242 PolarHBondContact O-N 3.4Å
239S73.7Confident64.2Low55 Ų55109 Ų10939%0.38555%0.547SS..Hα-helixtrans-69.5-30.5174.8500000113.9A235 V236 L243A235-S239 PolarHBondContact O-N 2.88Å; A235-S239 VanDerWaalsContact O-N 3.1Å; A235-S239 PolarHBondContact O-OG 2.95Å; V236-S239 WeakPolarHBondContact CA-OG 3.46Å; V236-S239 PolarHBondContact O-OG 2.82Å; V236-S239 VanDerWaalsContact O-OG 3.12Å; S239-L243 VanDerWaalsContact O-CG 3.3Å; S239-L243 WeakPolarHBondContact O-CG 3.35Å; S239-L243 PolarHBondContact O-N 3.17Å
240Y75.4Confident64.9Low143 Ų143109.4 Ų109.456%0.56154%0.543SS*.Hα-helixtrans-73.9-40171.6-178.3-111.7000112.5V236 R237 E242 L243 L244V236-Y240 WeakPolarHBondContact O-CB 3.34Å; V236-Y240 PolarHBondContact O-N 3.25Å; R237-Y240 PolarHBondContact O-N 3.01Å; Y240-E242 VanDerWaalsContact C-N 3.31Å; Y240-E242 PolarHBondContact O-N 3.25Å; Y240-L243 PolarHBondContact O-N 3.19Å; Y240-L244 HydrophobicContact CD1-CD1 3.86Å; Y240-L244 HydrophobicContact CE1-CD1 3.42Å; Y240-L244 VanDerWaalsContact CE1-CD1 3.42Å; Y240-L244 HydrophobicContact CE1-CG 4.2Å; Y240-L244 HydrophobicContact CE2-CG 4.45Å; Y240-L244 PolarHBondContact O-N 3.07Å
241E79.6Confident65.2Low72 Ų72106.9 Ų106.934%0.33653%0.532SS..Hα-helixtrans-64.5-35172.7-74.5178.6-17200111.1R237 E238 Q245R237-E241 HydrophobicContact CG-CG 4.34Å; R237-E241 WeakPolarHBondContact CG-OE1 3.45Å; R237-E241 IonicContact CZ-OE1 3.34Å; R237-E241 IonicContact NE-OE1 2.74Å; R237-E241 PolarHBondContact NE-OE1 2.59Å; R237-E241 IonicContact NH2-OE1 3.03Å; R237-E241 PolarHBondContact NH2-OE1 3.15Å; R237-E241 WeakPolarHBondContact O-CB 3.46Å; R237-E241 WeakPolarHBondContact O-CG 3.18Å; R237-E241 PolarHBondContact O-N 2.83Å; E238-E241 PolarHBondContact O-N 3.46Å; E241-Q245 WeakPolarHBondContact O-CB 3.24Å; E241-Q245 WeakPolarHBondContact O-CG 3.42Å; E241-Q245 PolarHBondContact O-N 3.34Å; E241-Q245 PolarHBondContact O-NE2 3.27Å
242E78.8Confident65.3Low123 Ų123103.2 Ų103.258%0.57554%0.535SS*.Hα-helixtrans-66.6-41171.3-171.7173.9-160.200112E238 Y240 Q245 L246E238-E242 WeakPolarHBondContact O-CB 3.44Å; E238-E242 PolarHBondContact O-N 3.4Å; Y240-E242 VanDerWaalsContact C-N 3.31Å; Y240-E242 PolarHBondContact O-N 3.25Å; E242-Q245 PolarHBondContact O-N 3.36Å; E242-L246 VanDerWaalsContact O-CG 3.3Å; E242-L246 WeakPolarHBondContact O-CG 3.46Å; E242-L246 PolarHBondContact O-N 3.48Å
243L76.8Confident65.9Low110 Ų110101 Ų10158%0.57653%0.529SS*.Hα-helixtrans-64.7-41.2174.8-75.9167.9000112.7S239 Y240 L246 E247S239-L243 VanDerWaalsContact O-CG 3.3Å; S239-L243 WeakPolarHBondContact O-CG 3.35Å; S239-L243 PolarHBondContact O-N 3.17Å; Y240-L243 PolarHBondContact O-N 3.19Å; L243-L246 HydrophobicContact CD2-CD1 4.46Å; L243-L246 WeakPolarHBondContact O-CB 3.24Å; L243-L246 PolarHBondContact O-N 3.48Å; L243-E247 PolarHBondContact O-N 3.39Å
244L74.2Confident66.2Low73 Ų73102.5 Ų102.538%0.38254%0.536SS..Hα-helixtrans-64.1-41173-78.3168000111.9Y240 L246 E247 D248Y240-L244 HydrophobicContact CD1-CD1 3.86Å; Y240-L244 HydrophobicContact CE1-CD1 3.42Å; Y240-L244 VanDerWaalsContact CE1-CD1 3.42Å; Y240-L244 HydrophobicContact CE1-CG 4.2Å; Y240-L244 HydrophobicContact CE2-CG 4.45Å; Y240-L244 PolarHBondContact O-N 3.07Å; L244-L246 VanDerWaalsContact C-N 3.29Å; L244-L246 PolarHBondContact O-N 3.31Å; L244-E247 PolarHBondContact O-N 3.27Å; L244-D248 WeakPolarHBondContact O-CB 3.28Å; L244-D248 PolarHBondContact O-N 2.94Å
245Q79.6Confident67.3Low116 Ų116107.2 Ų107.254%0.54255%0.546SS..Hα-helixtrans-65.4-32.3173.6-73.6167.547.700112.2E241 E242 R249E241-Q245 WeakPolarHBondContact O-CB 3.24Å; E241-Q245 WeakPolarHBondContact O-CG 3.42Å; E241-Q245 PolarHBondContact O-N 3.34Å; E241-Q245 PolarHBondContact O-NE2 3.27Å; E242-Q245 PolarHBondContact O-N 3.36Å; Q245-R249 WeakPolarHBondContact O-CB 3.41Å; Q245-R249 WeakPolarHBondContact O-CD 3.37Å; Q245-R249 WeakPolarHBondContact O-CG 3.33Å; Q245-R249 PolarHBondContact O-N 3.05Å
246L71.3Confident68.9Low72 Ų72105.2 Ų105.238%0.37753%0.531SS..Hα-helixtrans-68.8-40.8172-73.5168.6000111.4E242 L243 L244 L250E242-L246 VanDerWaalsContact O-CG 3.3Å; E242-L246 WeakPolarHBondContact O-CG 3.46Å; E242-L246 PolarHBondContact O-N 3.48Å; L243-L246 HydrophobicContact CD2-CD1 4.46Å; L243-L246 WeakPolarHBondContact O-CB 3.24Å; L243-L246 PolarHBondContact O-N 3.48Å; L244-L246 VanDerWaalsContact C-N 3.29Å; L244-L246 PolarHBondContact O-N 3.31Å; L246-L250 WeakPolarHBondContact O-CB 3.13Å; L246-L250 WeakPolarHBondContact O-CD1 3.46Å; L246-L250 WeakPolarHBondContact O-CG 3.43Å; L246-L250 PolarHBondContact O-N 3.25Å
247E71.7Confident70.7Confident138 Ų138102 Ų10265%0.64551%0.512SS*.Hα-helixtrans-61.7-49.6174.7-175169.6-161.200111.7L243 L244 R249 L250 G251L243-E247 PolarHBondContact O-N 3.39Å; L244-E247 PolarHBondContact O-N 3.27Å; E247-R249 PolarHBondContact O-N 3.43Å; E247-L250 PolarHBondContact O-N 3.23Å; E247-G251 PolarHBondContact O-N 3.22Å
248D69.6Low72.3Confident143 Ų14398.7 Ų98.777%0.76551%0.509SS*.Hα-helixtrans-65.3-38.2179.2-165.851.8000112.3L244 G251L244-D248 WeakPolarHBondContact O-CB 3.28Å; L244-D248 PolarHBondContact O-N 2.94Å; D248-G251 PolarHBondContact O-N 3.31Å
249R69.9Low74Confident203 Ų20396.7 Ų96.777%0.76650%0.5SS*.Hα-helixtrans-73-26.4174.8-72.7171.864.2-157.7-1.1114.2Q245 E247Q245-R249 WeakPolarHBondContact O-CB 3.41Å; Q245-R249 WeakPolarHBondContact O-CD 3.37Å; Q245-R249 WeakPolarHBondContact O-CG 3.33Å; Q245-R249 PolarHBondContact O-N 3.05Å; E247-R249 PolarHBondContact O-N 3.43Å
250L66.7Low75Confident109 Ų10998.9 Ų98.957%0.57151%0.511SS*.Hα-helixtrans-82.1-33173.7-74.2167.1000110.8L246 E247 V253L246-L250 WeakPolarHBondContact O-CB 3.13Å; L246-L250 WeakPolarHBondContact O-CD1 3.46Å; L246-L250 WeakPolarHBondContact O-CG 3.43Å; L246-L250 PolarHBondContact O-N 3.25Å; E247-L250 PolarHBondContact O-N 3.23Å; L250-V253 HydrophobicContact CB-CG2 3.94Å; L250-V253 WeakPolarHBondContact O-CG2 3.33Å
251G56.9Low75.8Confident42 Ų4293.5 Ų93.543%0.43349%0.493SS..  trans62-171.8-173.400000112.3E247 D248 V253E247-G251 PolarHBondContact O-N 3.22Å; D248-G251 PolarHBondContact O-N 3.31Å; G251-V253 WeakPolarHBondContact O-CG2 3.24Å; G251-V253 PolarHBondContact O-N 2.74Å
252S52.7Low76.5Confident111 Ų11190.1 Ų90.178%0.77648%0.477SS*.SBendtrans-66.994.217060.80000109.8S254S252-S254 PolarHBondContact O-N 2.79Å
253V59Low77.3Confident66 Ų6689 Ų8940%0.447%0.472SS..  trans-76.275.2-176.7-151.40000110.8L250 G251 R255L250-V253 HydrophobicContact CB-CG2 3.94Å; L250-V253 WeakPolarHBondContact O-CG2 3.33Å; G251-V253 WeakPolarHBondContact O-CG2 3.24Å; G251-V253 PolarHBondContact O-N 2.74Å; V253-R255 HydrophobicContact CB-CG 4.28Å; V253-R255 HydrophobicContact CG1-CG 3.58Å; V253-R255 PolarHBondContact O-N 3.46Å
254S57Low78.1Confident100 Ų10093.4 Ų93.470%0.69948%0.481SS*.  trans-66.477.1168.5-66.20000109.8S252 G256S252-S254 PolarHBondContact O-N 2.79Å; S254-G256 PolarHBondContact O-N 2.83Å
255R75.6Confident79.1Confident167 Ų16792.5 Ų92.563%0.6347%0.474SS*.  trans-71.1-1.9178.9-68.8-170.2166.898.8-1.3113.4V253 T327 S328 R329V253-R255 HydrophobicContact CB-CG 4.28Å; V253-R255 HydrophobicContact CG1-CG 3.58Å; V253-R255 PolarHBondContact O-N 3.46Å; R255-T327 CarbonylContact C-O 3.49Å; R255-S328 WeakPolarHBondContact O-CA 3.48Å; R255-R329 WeakPolarHBondContact O-CG 3.49Å; R255-R329 PolarHBondContact O-N 3.46Å; R255-R329 VanDerWaalsContact O-N 3.13Å
256G88.9Confident79.8Confident9 Ų987.1 Ų87.19%0.09345%0.45CS..SBendtrans-83.7170.2176.900000114.2S254 L325 A326 T327 R329S254-G256 PolarHBondContact O-N 2.83Å; G256-L325 CarbonylContact C-O 3.6Å; G256-L325 WeakPolarHBondContact CA-O 3.38Å; G256-A326 WeakPolarHBondContact CA-O 3.49Å; G256-T327 VanDerWaalsContact CA-C 3.45Å; G256-T327 PolarHBondContact N-O 3.25Å; G256-T327 VanDerWaalsContact N-O 3.14Å; G256-R329 PolarHBondContact O-NE 3.01Å; G256-R329 PolarHBondContact O-NH2 3.38Å; G256-R329 VanDerWaalsContact O-NH2 3.12Å
257A90.6Very high81Confident7 Ų789.8 Ų89.86%0.05846%0.458CS..PPolyproline II helixtrans-94146.817000000109.9T261 I262 L325 R329 I338A257-T261 HydrophobicContact CB-CG2 3.93Å; A257-I262 HydrophobicContact CB-CD1 4.33Å; A257-I262 HydrophobicContact CB-CG1 3.66Å; A257-L325 PolarHBondContact N-O 2.96Å; A257-R329 HydrophobicContact CB-CG 3.83Å; A257-I338 HydrophobicContact CB-CD1 3.94Å
258V92.5Very high82.1Confident92 Ų9286.3 Ų86.356%0.55845%0.447SS*.PPolyproline II helixtrans-71.4152.9164.3-67.20000109.9T260 T261 I262V258-T260 WeakPolarHBondContact CG2-OG1 3.32Å; V258-T260 PolarHBondContact O-N 2.86Å; V258-T260 VanDerWaalsContact O-N 3.14Å; V258-T261 WeakPolarHBondContact CG2-OG1 3.28Å; V258-T261 WeakPolarHBondContact O-CA 3.11Å; V258-T261 WeakPolarHBondContact O-CB 3.29Å; V258-T261 PolarHBondContact O-N 2.8Å; V258-I262 PolarHBondContact O-N 2.96Å
259Q93.4Very high83.4Confident80 Ų8083.4 Ų83.437%0.37443%0.429SS..Hα-helixtrans-52.6-39.9-175.8-173.862.920.200113.2T261 I262 E263 D322Q259-T261 VanDerWaalsContact C-N 3.32Å; Q259-T261 PolarHBondContact O-N 3.39Å; Q259-I262 WeakPolarHBondContact O-CB 3.46Å; Q259-I262 PolarHBondContact O-N 2.96Å; Q259-I262 VanDerWaalsContact O-N 3.15Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.48Å; Q259-E263 PolarHBondContact NE2-OE1 2.87Å; Q259-E263 WeakPolarHBondContact O-CG 3.35Å; Q259-E263 PolarHBondContact O-N 2.84Å; Q259-D322 PolarHBondContact NE2-OD2 3.03Å; Q259-D322 VanDerWaalsContact NE2-OD2 3.15Å
260T93.8Very high84.6Confident101 Ų10179.1 Ų79.162%0.6242%0.416SS*.Hα-helixtrans-64.7-31.9177.253.20000113.4V258 R264V258-T260 WeakPolarHBondContact CG2-OG1 3.32Å; V258-T260 PolarHBondContact O-N 2.86Å; V258-T260 VanDerWaalsContact O-N 3.14Å; T260-R264 VanDerWaalsContact O-CB 3.24Å; T260-R264 WeakPolarHBondContact O-CB 3.41Å; T260-R264 PolarHBondContact O-N 2.93Å; T260-R264 VanDerWaalsContact O-N 3.1Å
261T93.2Very high85.9Confident30 Ų3074.6 Ų74.618%0.18439%0.392CS..Hα-helixtrans-71.1-44171.4-63.70000110.2A257 V258 Q259 E263 R264 F265 I338 E339A257-T261 HydrophobicContact CB-CG2 3.93Å; V258-T261 WeakPolarHBondContact CG2-OG1 3.28Å; V258-T261 WeakPolarHBondContact O-CA 3.11Å; V258-T261 WeakPolarHBondContact O-CB 3.29Å; V258-T261 PolarHBondContact O-N 2.8Å; Q259-T261 VanDerWaalsContact C-N 3.32Å; Q259-T261 PolarHBondContact O-N 3.39Å; T261-E263 VanDerWaalsContact C-N 3.35Å; T261-E263 PolarHBondContact O-N 2.98Å; T261-R264 PolarHBondContact O-N 3.28Å; T261-F265 HydrophobicContact CG2-CD2 3.71Å; T261-F265 HydrophobicContact CG2-CE2 4.07Å; T261-F265 WeakPolarHBondContact O-CD2 3.42Å; T261-F265 PolarHBondContact O-N 2.75Å; T261-F265 VanDerWaalsContact O-N 3.07Å; T261-I338 HydrophobicContact CG2-CD1 4.45Å; T261-E339 HydrophobicContact CG2-CG 4.2Å
262I94.8Very high87.5Confident0 Ų080.7 Ų80.70%041%0.406CS..Hα-helixtrans-56.7-51177-61.1170.4000109.8A257 V258 Q259 R264 F265 T266 D322 L325 I338A257-I262 HydrophobicContact CB-CD1 4.33Å; A257-I262 HydrophobicContact CB-CG1 3.66Å; V258-I262 PolarHBondContact O-N 2.96Å; Q259-I262 WeakPolarHBondContact O-CB 3.46Å; Q259-I262 PolarHBondContact O-N 2.96Å; Q259-I262 VanDerWaalsContact O-N 3.15Å; I262-R264 VanDerWaalsContact C-N 3.34Å; I262-R264 PolarHBondContact O-N 2.86Å; I262-F265 PolarHBondContact O-N 2.91Å; I262-T266 WeakPolarHBondContact O-CB 3.28Å; I262-T266 WeakPolarHBondContact O-CG2 3.25Å; I262-T266 PolarHBondContact O-N 3.19Å; I262-T266 VanDerWaalsContact O-N 3.15Å; I262-T266 PolarHBondContact O-OG1 3.32Å; I262-D322 WeakPolarHBondContact CG2-OD1 3.38Å; I262-L325 HydrophobicContact CD1-CB 3.57Å; I262-L325 HydrophobicContact CG1-CB 3.84Å; I262-L325 HydrophobicContact CG1-CD1 4.29Å; I262-L325 HydrophobicContact CG2-CD1 3.78Å; I262-I338 HydrophobicContact CG1-CD1 4.35Å
263E94.8Very high89Confident101 Ų10178.8 Ų78.847%0.47238%0.384SS..Hα-helixtrans-63.9-34.2179.4-72.6167.7-171.600113.7Q259 T261Q259-E263 WeakPolarHBondContact CG-OE1 3.48Å; Q259-E263 PolarHBondContact NE2-OE1 2.87Å; Q259-E263 WeakPolarHBondContact O-CG 3.35Å; Q259-E263 PolarHBondContact O-N 2.84Å; T261-E263 VanDerWaalsContact C-N 3.35Å; T261-E263 PolarHBondContact O-N 2.98Å
264R94.7Very high90.1Very high201 Ų20186.1 Ų86.176%0.75840%0.404SS*.Hα-helixtrans-72-34.5178.6-179.5175.7-179.5175.80.8113.6T260 T261 I262T260-R264 VanDerWaalsContact O-CB 3.24Å; T260-R264 WeakPolarHBondContact O-CB 3.41Å; T260-R264 PolarHBondContact O-N 2.93Å; T260-R264 VanDerWaalsContact O-N 3.1Å; T261-R264 PolarHBondContact O-N 3.28Å; I262-R264 VanDerWaalsContact C-N 3.34Å; I262-R264 PolarHBondContact O-N 2.86Å
265F94.4Very high90.8Very high54 Ų5490 Ų9024%0.23741%0.408CS..Hα-helixtrans-108.25.2-170.1-72.2-75.8000114.3T261 I262 P311 I338 E339T261-F265 HydrophobicContact CG2-CD2 3.71Å; T261-F265 HydrophobicContact CG2-CE2 4.07Å; T261-F265 WeakPolarHBondContact O-CD2 3.42Å; T261-F265 PolarHBondContact O-N 2.75Å; T261-F265 VanDerWaalsContact O-N 3.07Å; I262-F265 PolarHBondContact O-N 2.91Å; F265-P311 WeakPolarHBondContact O-CD 3.25Å; F265-I338 HydrophobicContact CB-CB 4.37Å; F265-I338 HydrophobicContact CB-CG1 4.45Å; F265-I338 WeakPolarHBondContact CB-O 3.46Å; F265-E339 HydrophobicContact CD2-CG 4.11Å; F265-E339 HydrophobicContact CE2-CG 4.09Å; F265-E339 HydrophobicContact CG-CG 4.46Å; F265-E339 HydrophobicContact CZ-CG 4.42Å
266T94.5Very high90.3Very high4 Ų487 Ų873%0.02541%0.411CS..SBendtrans-139165.2179.7690000111.3I262 P268 R308 L310 L325 I338I262-T266 WeakPolarHBondContact O-CB 3.28Å; I262-T266 WeakPolarHBondContact O-CG2 3.25Å; I262-T266 PolarHBondContact O-N 3.19Å; I262-T266 VanDerWaalsContact O-N 3.15Å; I262-T266 PolarHBondContact O-OG1 3.32Å; T266-P268 VanDerWaalsContact O-CD 3.28Å; T266-P268 WeakPolarHBondContact O-CD 3.23Å; T266-R308 WeakPolarHBondContact OG1-CD 3.45Å; T266-R308 WeakPolarHBondContact OG1-CG 3.45Å; T266-R308 PolarHBondContact OG1-NH1 2.68Å; T266-L310 HydrophobicContact CG2-CD1 4.19Å; T266-L310 HydrophobicContact CG2-CG 4.12Å; T266-L325 HydrophobicContact CG2-CD1 4.36Å; T266-I338 HydrophobicContact CG2-CB 4.29Å; T266-I338 HydrophobicContact CG2-CG2 4.05Å
267F95.4Very high89.1Confident127 Ų12794.6 Ų94.656%0.55745%0.448SS*.EExtended strand (participates in β ladder)trans-116.791.9-169.9-55-79.7000111.4H269 R309F267-H269 PolarHBondContact O-ND1 3.38Å; F267-R309 HydrophobicContact CB-CB 4.37Å; F267-R309 PolarHBondContact N-O 3.1Å; F267-R309 PolarHBondContact O-N 3.04Å
268P96Very high87.6Confident65 Ų65101.7 Ų101.742%0.42248%0.48SS..EExtended strand (participates in β ladder)trans-72.3136.9171.731.4-32.6000110.3T266 V307T266-P268 VanDerWaalsContact O-CD 3.28Å; T266-P268 WeakPolarHBondContact O-CD 3.23Å; P268-V307 CarbonylContact C-O 3.58Å; P268-V307 WeakPolarHBondContact CA-O 3.08Å
269H95.6Very high85.9Confident83 Ų83105.1 Ų105.138%0.38450%0.495SS..EExtended strand (participates in β ladder)trans-159.3170.1176.563.8-67.8000111F267 V307F267-H269 PolarHBondContact O-ND1 3.38Å; H269-V307 PolarHBondContact N-O 2.89Å; H269-V307 VanDerWaalsContact O-CG2 3.3Å; H269-V307 WeakPolarHBondContact O-CG2 3.16Å; H269-V307 PolarHBondContact O-N 3.43Å
270K95.1Very high84.2Confident112 Ų112111 Ų11149%0.48752%0.519SS..EExtended strand (participates in β ladder)trans-79.6131.9169.7-67.9-51.6-154.4165.10110.7G304 E305 D306K270-G304 WeakPolarHBondContact CD-O 3.42Å; K270-G304 WeakPolarHBondContact CE-O 3.48Å; K270-G304 PolarHBondContact NZ-O 3.26Å; K270-E305 CarbonylContact C-O 3.5Å; K270-E305 WeakPolarHBondContact CA-O 3.39Å; K270-D306 VanDerWaalsContact CD-OD1 3.24Å; K270-D306 WeakPolarHBondContact CD-OD1 3.3Å; K270-D306 WeakPolarHBondContact CE-OD1 3.46Å; K270-D306 IonicContact NZ-OD1 3.02Å; K270-D306 PolarHBondContact NZ-OD1 3.47Å; K270-D306 IonicContact NZ-OD2 3.76Å; K270-D306 PolarHBondContact NZ-OD2 3.27Å
271Y94.1Very high82.2Confident15 Ų15113.8 Ų113.86%0.05953%0.529CS..  trans-64.3145.7176-172.5-114.2000110.7K273 E292 L301 E302 G304 E305 V307 L315Y271-K273 HydrophobicContact CE1-CB 4.14Å; Y271-E292 HydrophobicContact CE2-CB 4.4Å; Y271-E292 WeakPolarHBondContact CE2-OE2 3.43Å; Y271-L301 HydrophobicContact CD1-CB 3.84Å; Y271-L301 HydrophobicContact CD2-CB 4.29Å; Y271-L301 HydrophobicContact CD2-CD1 4.27Å; Y271-L301 HydrophobicContact CE1-CB 3.87Å; Y271-L301 VanDerWaalsContact CE1-O 3.3Å; Y271-L301 WeakPolarHBondContact CE1-O 3.4Å; Y271-L301 HydrophobicContact CE2-CB 4.32Å; Y271-L301 HydrophobicContact CE2-CD1 4.21Å; Y271-L301 HydrophobicContact CG-CB 4.05Å; Y271-E302 WeakPolarHBondContact CD1-O 3.5Å; Y271-G304 PolarHBondContact O-N 3.34Å; Y271-E305 PolarHBondContact N-O 2.93Å; Y271-V307 HydrophobicContact CD2-CG2 4.29Å; Y271-V307 HydrophobicContact CG-CG1 4.48Å; Y271-L315 HydrophobicContact CD2-CD2 3.76Å; Y271-L315 HydrophobicContact CE2-CD2 3.77Å
272K90.7Very high80.5Confident170 Ų170115.4 Ų115.474%0.73955%0.551SS**  trans-147.1109.9173-170.5171.2-176.11730110.6R274 D303K272-R274 PolarHBondContact O-N 3.2Å; K272-D303 VanDerWaalsContact CA-OD1 3.25Å; K272-D303 WeakPolarHBondContact CA-OD1 3.5Å
273K85.2Confident78.3Confident71 Ų71124.4 Ų124.431%0.30959%0.593SS.*  trans-57.2129.3177.8-171.8161178.1163.40110.1Y271 K275 D289 D291 D303Y271-K273 HydrophobicContact CE1-CB 4.14Å; K273-K275 PolarHBondContact O-N 3.46Å; K273-K275 VanDerWaalsContact O-N 3.11Å; K273-D289 WeakPolarHBondContact CE-OD1 3.41Å; K273-D289 IonicContact NZ-OD1 3.29Å; K273-D289 PolarHBondContact NZ-OD1 3.21Å; K273-D289 IonicContact NZ-OD2 2.66Å; K273-D289 PolarHBondContact NZ-OD2 3.18Å; K273-D291 WeakPolarHBondContact CE-OD1 3.37Å; K273-D291 IonicContact NZ-OD1 2.8Å; K273-D291 PolarHBondContact NZ-OD1 2.73Å; K273-D291 IonicContact NZ-OD2 2.68Å; K273-D303 PolarHBondContact N-OD1 3.42Å
274R80.9Confident76.5Confident219 Ų219129.1 Ų129.183%0.82662%0.615SS**  trans-79.597.7-178.3-62.5-173.272.1162.72.6109K272 P276K272-R274 PolarHBondContact O-N 3.2Å; R274-P276 WeakPolarHBondContact O-CD 3.38Å
275K73.3Confident74.3Confident181 Ų181127.5 Ų127.579%0.78762%0.616SS**  trans-57122.4169.9-63.3-170.3177.6-169.80109.3K273 L277K273-K275 PolarHBondContact O-N 3.46Å; K273-K275 VanDerWaalsContact O-N 3.11Å; K275-L277 PolarHBondContact O-N 3.05Å
276P63.6Low72.4Confident104 Ų104132.9 Ų132.968%0.67564%0.642SS**  trans-57.4136.7173.1-22.933.5000109.7R274 Q278R274-P276 WeakPolarHBondContact O-CD 3.38Å; P276-Q278 VanDerWaalsContact C-N 3.3Å; P276-Q278 PolarHBondContact O-N 3.36Å
277L65.3Low70.3Confident169 Ų169140.5 Ų140.589%0.88568%0.678SS**  trans-73.492.6169.4-76168.4000107.5K275 L279K275-L277 PolarHBondContact O-N 3.05Å; L277-L279 VanDerWaalsContact C-N 3.31Å; L277-L279 PolarHBondContact O-N 2.86Å
278Q57.8Low67.9Low156 Ų156139.5 Ų139.573%0.72968%0.682SS**  trans-59.988.7179.6-73.7167-27.100111.2P276 K280P276-Q278 VanDerWaalsContact C-N 3.3Å; P276-Q278 PolarHBondContact O-N 3.36Å; Q278-K280 PolarHBondContact O-N 3.11Å; Q278-K280 VanDerWaalsContact O-N 3.09Å
279L57.8Low65.8Low164 Ų164139.7 Ų139.786%0.85968%0.679SS**  trans-70.895.9161.5-74.8172.1000107.1L277 I281L277-L279 VanDerWaalsContact C-N 3.31Å; L277-L279 PolarHBondContact O-N 2.86Å; L279-I281 PolarHBondContact O-N 2.88Å
280K58.3Low63.9Low203 Ų203141.8 Ų141.888%0.88370%0.698SS**  trans-53.797.3-178-64.8-175.1178.3-174.50112.6Q278Q278-K280 PolarHBondContact O-N 3.11Å; Q278-K280 VanDerWaalsContact O-N 3.09Å
281I50.6Low62.5Low161 Ų161138.2 Ų138.283%0.82668%0.684SS**  trans-132.6130150.8-56.9-177.4000104.5L279L279-I281 PolarHBondContact O-N 2.88Å
282G57Low62Low64 Ų64141.9 Ų141.966%0.6670%0.702SS**  trans-80.1-170.9-168.900000114
283E50.1Low62Low188 Ų188140 Ų14088%0.87969%0.694SS**SBendtrans87.196.9-178.8-56.6175.4-178.200113.9E285E283-E285 PolarHBondContact O-N 3.23Å
284E55.8Low62.4Low200 Ų200136.7 Ų136.794%0.93568%0.679SS**  trans44.262.3150.8-60.2178.3-170.700116.3E286E284-E286 PolarHBondContact O-N 3.1Å
285E49.3Very low63.1Low168 Ų168129.2 Ų129.279%0.78566%0.658SS**  trans-62.1103.2163.7-77.9-175.2136.600109.6E283 E287E283-E285 PolarHBondContact O-N 3.23Å; E285-E287 VanDerWaalsContact C-N 3.29Å; E285-E287 PolarHBondContact O-N 3.18Å
286E54.8Low64.1Low167 Ų167123.6 Ų123.678%0.7864%0.636SS**  trans-56.5100.9151.1-175.7177.4-177.500106.3E284 T288E284-E286 PolarHBondContact O-N 3.1Å; E286-T288 HydrophobicContact CG-CG2 4.28Å; E286-T288 PolarHBondContact O-N 3.3Å
287E49.2Very low65.6Low164 Ų164121.1 Ų121.177%0.76662%0.621SS**  trans-6381.2176.1-172.8170.8-152.200108E285 D289E285-E287 VanDerWaalsContact C-N 3.29Å; E285-E287 PolarHBondContact O-N 3.18Å; E287-D289 HydrophobicContact CG-CB 4.28Å; E287-D289 PolarHBondContact O-N 3.02Å
288T45.8Very low66.9Low105 Ų105119.5 Ų119.564%0.64461%0.612SS**  trans-71.770.9167.244.70000106.8E286 V290E286-T288 HydrophobicContact CG-CG2 4.28Å; E286-T288 PolarHBondContact O-N 3.3Å; T288-V290 WeakPolarHBondContact O-CG2 3.22Å; T288-V290 PolarHBondContact O-N 2.93Å
289D50.9Low68.6Low69 Ų69115.1 Ų115.137%0.36960%0.598SS.*  trans-58.1106-178.7-154.7-12.6000107.5K273 E287 D291K273-D289 WeakPolarHBondContact CE-OD1 3.41Å; K273-D289 IonicContact NZ-OD1 3.29Å; K273-D289 PolarHBondContact NZ-OD1 3.21Å; K273-D289 IonicContact NZ-OD2 2.66Å; K273-D289 PolarHBondContact NZ-OD2 3.18Å; E287-D289 HydrophobicContact CG-CB 4.28Å; E287-D289 PolarHBondContact O-N 3.02Å; D289-D291 PolarHBondContact O-N 3.45Å
290V56.2Low70.2Confident127 Ų127112.6 Ų112.677%0.7758%0.584SS**  trans-80.953.7-178-160.10000108T288 E292T288-V290 WeakPolarHBondContact O-CG2 3.22Å; T288-V290 PolarHBondContact O-N 2.93Å; V290-E292 PolarHBondContact O-N 2.83Å
291D66.4Low71.8Confident38 Ų38103.1 Ų103.120%0.20354%0.543CS..  trans-59.7109.8177.9-84.5-39.8000108.7K273 D289 K293 M300K273-D291 WeakPolarHBondContact CE-OD1 3.37Å; K273-D291 IonicContact NZ-OD1 2.8Å; K273-D291 PolarHBondContact NZ-OD1 2.73Å; K273-D291 IonicContact NZ-OD2 2.68Å; D289-D291 PolarHBondContact O-N 3.45Å; D291-K293 PolarHBondContact O-N 3.02Å; D291-K293 VanDerWaalsContact O-N 3.1Å; D291-M300 HydrophobicContact CB-CE 4.23Å; D291-M300 HydrophobicContact CB-CG 4.25Å; D291-M300 WeakPolarHBondContact OD2-CE 3.36Å
292E82.3Confident73.7Confident91 Ų91101.9 Ų101.943%0.42553%0.533SS..  trans-65.5113.6170.4-63.6-177.817200106.5Y271 V290 L301 L315Y271-E292 HydrophobicContact CE2-CB 4.4Å; Y271-E292 WeakPolarHBondContact CE2-OE2 3.43Å; V290-E292 PolarHBondContact O-N 2.83Å; E292-L301 HydrophobicContact CB-CD1 4.01Å; E292-L301 WeakPolarHBondContact O-CB 3.39Å; E292-L301 WeakPolarHBondContact O-CD1 3.44Å; E292-L301 WeakPolarHBondContact O-CG 3.44Å; E292-L301 PolarHBondContact O-N 3.18Å; E292-L315 WeakPolarHBondContact OE2-CD2 3.24Å
293K91.4Very high75.3Confident132 Ų132103.7 Ų103.757%0.57453%0.528SS*.BIsolated β-bridgetrans-104141.3178.469.2-169174.3-161.20110.7D291 T295 S299D291-K293 PolarHBondContact O-N 3.02Å; D291-K293 VanDerWaalsContact O-N 3.1Å; K293-T295 PolarHBondContact O-N 3.46Å; K293-S299 CarbonylContact C-O 3.6Å; K293-S299 WeakPolarHBondContact CA-O 3.32Å; K293-S299 WeakPolarHBondContact CB-O 3.3Å
294C94.9Very high77.2Confident0 Ų096.7 Ų96.70%051%0.506CS..  trans-72.2115.8173.3-179.10000109.6I296 C297 L298 S299 L301 H317C294-I296 PolarHBondContact O-N 2.86Å; C294-C297 VanDerWaalsContact CB-SG 3.58Å; C294-L298 WeakPolarHBondContact O-CA 3.43Å; C294-L298 PolarHBondContact O-N 2.93Å; C294-S299 PolarHBondContact N-O 2.89Å; C294-L301 HydrophobicContact CB-CD2 3.98Å; C294-H317 WeakPolarHBondContact CB-ND1 3.36Å
295T94.2Very high79.1Confident63 Ų6390.1 Ų90.139%0.38748%0.475SS..THydrogen-bonded Turntrans-74.54.9-177.775.70000114.3K293 I333K293-T295 PolarHBondContact O-N 3.46Å; T295-I333 HydrophobicContact CG2-CD1 3.98Å
296I94.5Very high81.3Confident63 Ų6386 Ų8632%0.32346%0.459SS..THydrogen-bonded Turntrans-95.3-51.7178.9-57.2172.5000109.9C294 F316 C320 V321 W324 P332C294-I296 PolarHBondContact O-N 2.86Å; I296-F316 HydrophobicContact CD1-CB 4.3Å; I296-F316 HydrophobicContact CD1-CD1 3.77Å; I296-F316 HydrophobicContact CD1-CE1 4.37Å; I296-F316 HydrophobicContact CD1-CG 4.12Å; I296-F316 HydrophobicContact CG1-CD1 3.88Å; I296-F316 HydrophobicContact CG1-CE1 4.29Å; I296-C320 HydrophobicContact CB-CB 3.96Å; I296-C320 HydrophobicContact CD1-CB 4.03Å; I296-C320 HydrophobicContact CG2-CB 3.92Å; I296-V321 HydrophobicContact CD1-CB 3.93Å; I296-V321 HydrophobicContact CD1-CG2 4.28Å; I296-W324 HydrophobicContact CD1-CB 4.43Å; I296-P332 HydrophobicContact CD1-CG 4.12Å; I296-P332 HydrophobicContact CG1-CG 4.3Å
297C95.3Very high83.3Confident52 Ų5278 Ų7835%0.35142%0.422SS..THydrogen-bonded Turntrans-91.5-10174.761.90000113.7C294 S299 H317C294-C297 VanDerWaalsContact CB-SG 3.58Å; C297-S299 PolarHBondContact O-N 3.37Å; C297-H317 PolarHBondContact SG-ND1 2.96Å
298L92.8Very high85.6Confident134 Ų13470.3 Ų70.370%0.70239%0.385SS*.  trans64.98.2-176.3-51178000115.3C294C294-L298 WeakPolarHBondContact O-CA 3.43Å; C294-L298 PolarHBondContact O-N 2.93Å
299S92.9Very high87.9Confident64 Ų6470.3 Ų70.345%0.44837%0.374SS..PPolyproline II helixtrans-84.1153.4175.5-51.90000112.4K293 C294 C297K293-S299 CarbonylContact C-O 3.6Å; K293-S299 WeakPolarHBondContact CA-O 3.32Å; K293-S299 WeakPolarHBondContact CB-O 3.3Å; C294-S299 PolarHBondContact N-O 2.89Å; C297-S299 PolarHBondContact O-N 3.37Å
300M91.8Very high90.1Very high112 Ų11267 Ų6755%0.55236%0.356SS*.BIsolated β-bridgetrans-63.7154.7169.5-70.916516000110.7D291D291-M300 HydrophobicContact CB-CE 4.23Å; D291-M300 HydrophobicContact CB-CG 4.25Å; D291-M300 WeakPolarHBondContact OD2-CE 3.36Å
301L91.8Very high91.9Very high4 Ų462 Ų622%0.02133%0.326CS..PPolyproline II helixtrans-92.6125.5171-61.4175.1000109.6Y271 E292 C294 E305 V307 L315 H317Y271-L301 HydrophobicContact CD1-CB 3.84Å; Y271-L301 HydrophobicContact CD2-CB 4.29Å; Y271-L301 HydrophobicContact CD2-CD1 4.27Å; Y271-L301 HydrophobicContact CE1-CB 3.87Å; Y271-L301 VanDerWaalsContact CE1-O 3.3Å; Y271-L301 WeakPolarHBondContact CE1-O 3.4Å; Y271-L301 HydrophobicContact CE2-CB 4.32Å; Y271-L301 HydrophobicContact CE2-CD1 4.21Å; Y271-L301 HydrophobicContact CG-CB 4.05Å; E292-L301 HydrophobicContact CB-CD1 4.01Å; E292-L301 WeakPolarHBondContact O-CB 3.39Å; E292-L301 WeakPolarHBondContact O-CD1 3.44Å; E292-L301 WeakPolarHBondContact O-CG 3.44Å; E292-L301 PolarHBondContact O-N 3.18Å; C294-L301 HydrophobicContact CB-CD2 3.98Å; L301-E305 WeakPolarHBondContact CA-OE2 3.42Å; L301-V307 HydrophobicContact CD1-CG1 4.15Å; L301-V307 HydrophobicContact CD2-CG1 3.71Å; L301-V307 HydrophobicContact CG-CG1 4.4Å; L301-L315 HydrophobicContact CD1-CD2 3.6Å; L301-L315 HydrophobicContact CD1-CG 3.94Å; L301-H317 WeakPolarHBondContact CD2-NE2 3.41Å
302E90.3Very high93.2Very high135 Ų13561 Ų6163%0.63132%0.322SS*.PPolyproline II helixtrans-101.8152-178.1-64.7-174-169.800112.9Y271 G304 E305Y271-E302 WeakPolarHBondContact CD1-O 3.5Å; E302-G304 PolarHBondContact O-N 3.02Å; E302-E305 HydrophobicContact CB-CG 3.96Å; E302-E305 PolarHBondContact N-OE2 3.12Å; E302-E305 WeakPolarHBondContact O-CB 3.2Å; E302-E305 WeakPolarHBondContact O-CG 3.36Å; E302-E305 PolarHBondContact O-N 3.3Å; E302-E305 VanDerWaalsContact O-N 3.1Å
303D90.6Very high93.7Very high101 Ų10161.2 Ų61.254%0.5432%0.324SS..THydrogen-bonded Turntrans-56.2119.1-179.8-95.5-22.5000111.5K272 K273K272-D303 VanDerWaalsContact CA-OD1 3.25Å; K272-D303 WeakPolarHBondContact CA-OD1 3.5Å; K273-D303 PolarHBondContact N-OD1 3.42Å
304G90.8Very high93.8Very high41 Ų4157.7 Ų57.742%0.42331%0.309SS..THydrogen-bonded Turntrans91.10.5-179.900000116K270 Y271 E302K270-G304 WeakPolarHBondContact CD-O 3.42Å; K270-G304 WeakPolarHBondContact CE-O 3.48Å; K270-G304 PolarHBondContact NZ-O 3.26Å; Y271-G304 PolarHBondContact O-N 3.34Å; E302-G304 PolarHBondContact O-N 3.02Å
305E94.4Very high93.8Very high62 Ų6258.9 Ų58.929%0.2932%0.316SS..  trans-66.6152.5169.8-70.8-168124.100112.6K270 Y271 L301 E302 V307 H317K270-E305 CarbonylContact C-O 3.5Å; K270-E305 WeakPolarHBondContact CA-O 3.39Å; Y271-E305 PolarHBondContact N-O 2.93Å; L301-E305 WeakPolarHBondContact CA-OE2 3.42Å; E302-E305 HydrophobicContact CB-CG 3.96Å; E302-E305 PolarHBondContact N-OE2 3.12Å; E302-E305 WeakPolarHBondContact O-CB 3.2Å; E302-E305 WeakPolarHBondContact O-CG 3.36Å; E302-E305 PolarHBondContact O-N 3.3Å; E302-E305 VanDerWaalsContact O-N 3.1Å; E305-V307 PolarHBondContact O-N 3.44Å; E305-H317 VanDerWaalsContact CD-NE2 3.25Å; E305-H317 IonicContact OE1-CD2 3.7Å; E305-H317 IonicContact OE1-NE2 3.46Å; E305-H317 PolarHBondContact OE1-NE2 3.4Å; E305-H317 IonicContact OE2-CD2 3.25Å; E305-H317 PolarHBondContact OE2-CD2 3.1Å; E305-H317 IonicContact OE2-CE1 2.74Å; E305-H317 IonicContact OE2-NE2 2.82Å; E305-H317 PolarHBondContact OE2-NE2 3.4Å
306D96.9Very high94Very high82 Ų8255.9 Ų55.944%0.43930%0.297SS..EExtended strand (participates in β ladder)trans-79.1111.9173.7-68-63.2000110.5K270 Q318K270-D306 VanDerWaalsContact CD-OD1 3.24Å; K270-D306 WeakPolarHBondContact CD-OD1 3.3Å; K270-D306 WeakPolarHBondContact CE-OD1 3.46Å; K270-D306 IonicContact NZ-OD1 3.02Å; K270-D306 PolarHBondContact NZ-OD1 3.47Å; K270-D306 IonicContact NZ-OD2 3.76Å; K270-D306 PolarHBondContact NZ-OD2 3.27Å; D306-Q318 HydrophobicContact CB-CB 4.12Å; D306-Q318 PolarHBondContact O-N 3.02Å
307V96.3Very high94.1Very high0 Ų054 Ų540%029%0.287CS..EExtended strand (participates in β ladder)trans-122.6148.7-179.4-66.60000110.9P268 H269 Y271 L301 E305 L315 F316P268-V307 CarbonylContact C-O 3.58Å; P268-V307 WeakPolarHBondContact CA-O 3.08Å; H269-V307 PolarHBondContact N-O 2.89Å; H269-V307 VanDerWaalsContact O-CG2 3.3Å; H269-V307 WeakPolarHBondContact O-CG2 3.16Å; H269-V307 PolarHBondContact O-N 3.43Å; Y271-V307 HydrophobicContact CD2-CG2 4.29Å; Y271-V307 HydrophobicContact CG-CG1 4.48Å; L301-V307 HydrophobicContact CD1-CG1 4.15Å; L301-V307 HydrophobicContact CD2-CG1 3.71Å; L301-V307 HydrophobicContact CG-CG1 4.4Å; E305-V307 PolarHBondContact O-N 3.44Å; V307-L315 HydrophobicContact CB-CD1 3.86Å; V307-L315 HydrophobicContact CB-CG 4.21Å; V307-L315 HydrophobicContact CG2-CD1 3.9Å; V307-L315 HydrophobicContact CG2-CD2 4.42Å; V307-L315 HydrophobicContact CG2-CG 4.47Å; V307-F316 CarbonylContact C-O 3.34Å; V307-F316 WeakPolarHBondContact CA-O 3.18Å; V307-F316 WeakPolarHBondContact CB-O 3.47Å
308R96.6Very high94.2Very high1 Ų154 Ų540%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-123.5124.8178.1-177.9-173-68.6-80.912.8109.7T266 F316 Q318 V321 D322T266-R308 WeakPolarHBondContact OG1-CD 3.45Å; T266-R308 WeakPolarHBondContact OG1-CG 3.45Å; T266-R308 PolarHBondContact OG1-NH1 2.68Å; R308-F316 PolarHBondContact N-O 3.26Å; R308-F316 PolarHBondContact O-N 3.46Å; R308-Q318 HydrophobicContact CB-CB 4.31Å; R308-Q318 HydrophobicContact CB-CG 4.43Å; R308-V321 HydrophobicContact CB-CG1 3.83Å; R308-V321 HydrophobicContact CG-CG1 4.25Å; R308-D322 WeakPolarHBondContact CD-OD1 3.36Å; R308-D322 IonicContact CZ-OD1 3.88Å; R308-D322 VanDerWaalsContact CZ-OD1 3.29Å; R308-D322 IonicContact CZ-OD2 3.84Å; R308-D322 IonicContact NE-OD1 2.74Å; R308-D322 PolarHBondContact NE-OD1 3.42Å; R308-D322 IonicContact NE-OD2 3.22Å; R308-D322 IonicContact NH2-OD1 3.78Å; R308-D322 PolarHBondContact NH2-OD1 2.8Å; R308-D322 IonicContact NH2-OD2 2.62Å; R308-D322 PolarHBondContact NH2-OD2 2.93Å
309R95.7Very high94.3Very high105 Ų10550.2 Ų50.240%0.39628%0.275SS..EExtended strand (participates in β ladder)trans-94.4127.3175.1-156.7176.4-168.5-166.81.7109.9F267 M313 H314 L315F267-R309 HydrophobicContact CB-CB 4.37Å; F267-R309 PolarHBondContact N-O 3.1Å; F267-R309 PolarHBondContact O-N 3.04Å; R309-M313 PolarHBondContact NE-O 3.05Å; R309-M313 PolarHBondContact NH2-O 3.24Å; R309-H314 WeakPolarHBondContact CA-O 3.22Å; R309-L315 HydrophobicContact CB-CD1 3.91Å; R309-L315 HydrophobicContact CG-CD1 4.25Å
310L95.8Very high94.5Very high1 Ų148.7 Ų48.71%0.00526%0.264CS..  trans-80162.1174.4-89.662000110.2T266 C312 M313 H314 F316 V321 L325 C331 I338T266-L310 HydrophobicContact CG2-CD1 4.19Å; T266-L310 HydrophobicContact CG2-CG 4.12Å; L310-C312 VanDerWaalsContact CB-SG 3.56Å; L310-C312 PolarHBondContact O-N 3.11Å; L310-M313 WeakPolarHBondContact O-CA 3.4Å; L310-M313 PolarHBondContact O-N 3.13Å; L310-H314 PolarHBondContact N-O 3.41Å; L310-F316 HydrophobicContact CD1-CD2 4.12Å; L310-F316 HydrophobicContact CD1-CE2 4.27Å; L310-F316 HydrophobicContact CD2-CE2 4.31Å; L310-V321 HydrophobicContact CD1-CG1 4.47Å; L310-V321 HydrophobicContact CD1-CG2 3.79Å; L310-L325 HydrophobicContact CD1-CD1 4.39Å; L310-C331 HydrophobicContact CD2-CB 3.74Å; L310-I338 HydrophobicContact CD2-CG2 3.88Å; L310-I338 HydrophobicContact CG-CG2 3.93Å
311P94.2Very high94.8Very high21 Ų2143.3 Ų43.314%0.13624%0.238CC..THydrogen-bonded Turntrans-60.4-28.6177.823.7-33.4000111.9F265 M313 I338F265-P311 WeakPolarHBondContact O-CD 3.25Å; P311-M313 WeakPolarHBondContact O-CE 3.21Å; P311-M313 PolarHBondContact O-N 3.27Å; P311-I338 WeakPolarHBondContact CG-O 3.47Å
312C93.9Very high95Very high16 Ų1644 Ų4411%0.10824%0.242CC..THydrogen-bonded Turntrans-71.419.7168.663.50000115.4L310 H314 C331 C334 V336 L342L310-C312 VanDerWaalsContact CB-SG 3.56Å; L310-C312 PolarHBondContact O-N 3.11Å; C312-H314 PolarHBondContact O-N 3.27Å; C312-H314 PolarHBondContact O-ND1 2.87Å; C312-H314 PolarHBondContact SG-ND1 3.21Å; C312-H314 VanDerWaalsContact SG-ND1 3.37Å; C312-C331 VanDerWaalsContact SG-CB 3.6Å; C312-C334 VanDerWaalsContact CB-SG 3.55Å; C312-V336 HydrophobicContact CB-CB 4.37Å; C312-L342 HydrophobicContact CB-CD1 3.8Å
313M92.7Very high95.2Very high96 Ų9644.8 Ų44.847%0.47325%0.245SC..SBendtrans61.2-9.2175.8-62.9-63103.800117.6R309 L310 P311R309-M313 PolarHBondContact NE-O 3.05Å; R309-M313 PolarHBondContact NH2-O 3.24Å; L310-M313 WeakPolarHBondContact O-CA 3.4Å; L310-M313 PolarHBondContact O-N 3.13Å; P311-M313 WeakPolarHBondContact O-CE 3.21Å; P311-M313 PolarHBondContact O-N 3.27Å
314H94.4Very high95.4Very high58 Ų5845.1 Ų45.127%0.26924%0.239SC..  trans-62.5144.2171-63.597.4000112.3R309 L310 C312 F316 I333R309-H314 WeakPolarHBondContact CA-O 3.22Å; L310-H314 PolarHBondContact N-O 3.41Å; C312-H314 PolarHBondContact O-N 3.27Å; C312-H314 PolarHBondContact O-ND1 2.87Å; C312-H314 PolarHBondContact SG-ND1 3.21Å; C312-H314 VanDerWaalsContact SG-ND1 3.37Å; H314-F316 HydrophobicContact CB-CE2 3.74Å; H314-F316 HydrophobicContact CB-CZ 3.96Å; H314-I333 HydrophobicContact CB-CD1 4.27Å; H314-I333 VanDerWaalsContact CD2-CD1 3.45Å; H314-I333 WeakPolarHBondContact CD2-CD1 3.35Å; H314-I333 WeakPolarHBondContact NE2-CG2 3.39Å
315L94.9Very high95.7Very high25 Ų2543.2 Ų43.213%0.13122%0.219CC..EExtended strand (participates in β ladder)trans-121.5141.7-174.1-169.968.1000111.3Y271 E292 L301 V307 R309Y271-L315 HydrophobicContact CD2-CD2 3.76Å; Y271-L315 HydrophobicContact CE2-CD2 3.77Å; E292-L315 WeakPolarHBondContact OE2-CD2 3.24Å; L301-L315 HydrophobicContact CD1-CD2 3.6Å; L301-L315 HydrophobicContact CD1-CG 3.94Å; V307-L315 HydrophobicContact CB-CD1 3.86Å; V307-L315 HydrophobicContact CB-CG 4.21Å; V307-L315 HydrophobicContact CG2-CD1 3.9Å; V307-L315 HydrophobicContact CG2-CD2 4.42Å; V307-L315 HydrophobicContact CG2-CG 4.47Å; R309-L315 HydrophobicContact CB-CD1 3.91Å; R309-L315 HydrophobicContact CG-CD1 4.25Å
316F97Very high95.6Very high0 Ų043.1 Ų43.10%023%0.229CC..EExtended strand (participates in β ladder)trans-149.8161.6179.5-51-87.8000109.7I296 V307 R308 L310 H314 Q318 V321 P332 I333I296-F316 HydrophobicContact CD1-CB 4.3Å; I296-F316 HydrophobicContact CD1-CD1 3.77Å; I296-F316 HydrophobicContact CD1-CE1 4.37Å; I296-F316 HydrophobicContact CD1-CG 4.12Å; I296-F316 HydrophobicContact CG1-CD1 3.88Å; I296-F316 HydrophobicContact CG1-CE1 4.29Å; V307-F316 CarbonylContact C-O 3.34Å; V307-F316 WeakPolarHBondContact CA-O 3.18Å; V307-F316 WeakPolarHBondContact CB-O 3.47Å; R308-F316 PolarHBondContact N-O 3.26Å; R308-F316 PolarHBondContact O-N 3.46Å; L310-F316 HydrophobicContact CD1-CD2 4.12Å; L310-F316 HydrophobicContact CD1-CE2 4.27Å; L310-F316 HydrophobicContact CD2-CE2 4.31Å; H314-F316 HydrophobicContact CB-CE2 3.74Å; H314-F316 HydrophobicContact CB-CZ 3.96Å; F316-Q318 PolarHBondContact O-N 3.47Å; F316-V321 HydrophobicContact CB-CB 3.77Å; F316-V321 HydrophobicContact CB-CG1 4.1Å; F316-V321 HydrophobicContact CB-CG2 4.36Å; F316-V321 HydrophobicContact CD2-CB 4.15Å; F316-V321 HydrophobicContact CD2-CG2 3.8Å; F316-V321 HydrophobicContact CE2-CG2 4.35Å; F316-V321 HydrophobicContact CG-CB 4.09Å; F316-V321 HydrophobicContact CG-CG2 4.16Å; F316-P332 HydrophobicContact CE1-CB 4.36Å; F316-P332 HydrophobicContact CE1-CG 4.09Å; F316-P332 HydrophobicContact CZ-CB 4.39Å; F316-P332 HydrophobicContact CZ-CG 4.02Å; F316-I333 HydrophobicContact CE1-CD1 3.73Å; F316-I333 HydrophobicContact CE1-CG1 4.09Å; F316-I333 HydrophobicContact CZ-CD1 3.63Å; F316-I333 HydrophobicContact CZ-CG1 3.93Å
317H97.4Very high95.3Very high24 Ų2444.1 Ų44.111%0.11124%0.238CC..EExtended strand (participates in β ladder)trans-55.4136.5162.2-68.1114.7000110.6C294 C297 L301 E305 G319 C320 V321C294-H317 WeakPolarHBondContact CB-ND1 3.36Å; C297-H317 PolarHBondContact SG-ND1 2.96Å; L301-H317 WeakPolarHBondContact CD2-NE2 3.41Å; E305-H317 VanDerWaalsContact CD-NE2 3.25Å; E305-H317 IonicContact OE1-CD2 3.7Å; E305-H317 IonicContact OE1-NE2 3.46Å; E305-H317 PolarHBondContact OE1-NE2 3.4Å; E305-H317 IonicContact OE2-CD2 3.25Å; E305-H317 PolarHBondContact OE2-CD2 3.1Å; E305-H317 IonicContact OE2-CE1 2.74Å; E305-H317 IonicContact OE2-NE2 2.82Å; E305-H317 PolarHBondContact OE2-NE2 3.4Å; H317-G319 PolarHBondContact O-N 3.11Å; H317-C320 HydrophobicContact CB-CB 4.04Å; H317-C320 PolarHBondContact O-N 3.07Å; H317-V321 PolarHBondContact O-N 3.22Å; H317-V321 VanDerWaalsContact O-N 3.1Å
318Q96.5Very high95.1Very high52 Ų5245.7 Ų45.724%0.24325%0.249CC..Hα-helixtrans-56.5-50.9-176.4179.9176.2-23.300111.6D306 R308 F316 C320 V321 D322D306-Q318 HydrophobicContact CB-CB 4.12Å; D306-Q318 PolarHBondContact O-N 3.02Å; R308-Q318 HydrophobicContact CB-CB 4.31Å; R308-Q318 HydrophobicContact CB-CG 4.43Å; F316-Q318 PolarHBondContact O-N 3.47Å; Q318-C320 VanDerWaalsContact C-N 3.34Å; Q318-C320 PolarHBondContact O-N 3.36Å; Q318-V321 PolarHBondContact O-N 3.4Å; Q318-D322 WeakPolarHBondContact O-CB 3.39Å; Q318-D322 PolarHBondContact O-N 3.32Å
319G96.1Very high94.9Very high55 Ų5549.9 Ų49.957%0.56727%0.265SS*.Hα-helixtrans-61.5-39.2179.700000113.7H317 Q323H317-G319 PolarHBondContact O-N 3.11Å; G319-Q323 PolarHBondContact O-N 3.49Å
320C97.2Very high94.8Very high31 Ų3150 Ų5021%0.20927%0.268CS..Hα-helixtrans-65.8-43.6-179.9-68.50000112.1I296 H317 Q318 W324I296-C320 HydrophobicContact CB-CB 3.96Å; I296-C320 HydrophobicContact CD1-CB 4.03Å; I296-C320 HydrophobicContact CG2-CB 3.92Å; H317-C320 HydrophobicContact CB-CB 4.04Å; H317-C320 PolarHBondContact O-N 3.07Å; Q318-C320 VanDerWaalsContact C-N 3.34Å; Q318-C320 PolarHBondContact O-N 3.36Å; C320-W324 PolarHBondContact O-N 2.89Å
321V96.6Very high94.8Very high0 Ų050 Ų500%027%0.268CS..Hα-helixtrans-81.7-28-178.273.90000112.7I296 R308 L310 F316 H317 Q318 W324 L325I296-V321 HydrophobicContact CD1-CB 3.93Å; I296-V321 HydrophobicContact CD1-CG2 4.28Å; R308-V321 HydrophobicContact CB-CG1 3.83Å; R308-V321 HydrophobicContact CG-CG1 4.25Å; L310-V321 HydrophobicContact CD1-CG1 4.47Å; L310-V321 HydrophobicContact CD1-CG2 3.79Å; F316-V321 HydrophobicContact CB-CB 3.77Å; F316-V321 HydrophobicContact CB-CG1 4.1Å; F316-V321 HydrophobicContact CB-CG2 4.36Å; F316-V321 HydrophobicContact CD2-CB 4.15Å; F316-V321 HydrophobicContact CD2-CG2 3.8Å; F316-V321 HydrophobicContact CE2-CG2 4.35Å; F316-V321 HydrophobicContact CG-CB 4.09Å; F316-V321 HydrophobicContact CG-CG2 4.16Å; H317-V321 PolarHBondContact O-N 3.22Å; H317-V321 VanDerWaalsContact O-N 3.1Å; Q318-V321 PolarHBondContact O-N 3.4Å; V321-W324 PolarHBondContact O-N 3.49Å; V321-L325 HydrophobicContact CG2-CD1 4Å; V321-L325 HydrophobicContact CG2-CG 4.08Å; V321-L325 WeakPolarHBondContact O-CB 3.44Å; V321-L325 VanDerWaalsContact O-CG 3.24Å; V321-L325 WeakPolarHBondContact O-CG 3.45Å; V321-L325 PolarHBondContact O-N 3Å
322D95.9Very high94.8Very high19 Ų1950.7 Ų50.710%0.10227%0.273CS..Hα-helixtrans-64.7-42.8174-73.18.9000110.6Q259 I262 R308 Q318 W324 L325 A326Q259-D322 PolarHBondContact NE2-OD2 3.03Å; Q259-D322 VanDerWaalsContact NE2-OD2 3.15Å; I262-D322 WeakPolarHBondContact CG2-OD1 3.38Å; R308-D322 WeakPolarHBondContact CD-OD1 3.36Å; R308-D322 IonicContact CZ-OD1 3.88Å; R308-D322 VanDerWaalsContact CZ-OD1 3.29Å; R308-D322 IonicContact CZ-OD2 3.84Å; R308-D322 IonicContact NE-OD1 2.74Å; R308-D322 PolarHBondContact NE-OD1 3.42Å; R308-D322 IonicContact NE-OD2 3.22Å; R308-D322 IonicContact NH2-OD1 3.78Å; R308-D322 PolarHBondContact NH2-OD1 2.8Å; R308-D322 IonicContact NH2-OD2 2.62Å; R308-D322 PolarHBondContact NH2-OD2 2.93Å; Q318-D322 WeakPolarHBondContact O-CB 3.39Å; Q318-D322 PolarHBondContact O-N 3.32Å; D322-W324 VanDerWaalsContact C-N 3.34Å; D322-W324 PolarHBondContact O-N 3.44Å; D322-L325 PolarHBondContact O-N 3.47Å; D322-A326 WeakPolarHBondContact O-CB 3Å; D322-A326 PolarHBondContact O-N 3.07Å
323Q95.4Very high94.7Very high151 Ų15153.7 Ų53.771%0.70629%0.287SS*.Hα-helixtrans-62.4-39.4174.1-172.117711.500112.6G319 T327G319-Q323 PolarHBondContact O-N 3.49Å; Q323-T327 PolarHBondContact O-OG1 3.15Å
324W95.4Very high94.8Very high108 Ų10851.5 Ų51.541%0.40928%0.281SS..Hα-helixtrans-65.5-47.9174.2175.6-89.9000111.9I296 C320 V321 D322 A326 T327 S328 K330 P332I296-W324 HydrophobicContact CD1-CB 4.43Å; C320-W324 PolarHBondContact O-N 2.89Å; V321-W324 PolarHBondContact O-N 3.49Å; D322-W324 VanDerWaalsContact C-N 3.34Å; D322-W324 PolarHBondContact O-N 3.44Å; W324-A326 VanDerWaalsContact C-N 3.29Å; W324-A326 PolarHBondContact O-N 2.82Å; W324-T327 WeakPolarHBondContact O-CA 3.42Å; W324-T327 WeakPolarHBondContact O-CB 3.34Å; W324-T327 PolarHBondContact O-N 2.91Å; W324-S328 PolarHBondContact O-N 3.35Å; W324-K330 PolarHBondContact NE1-O 2.93Å; W324-P332 HydrophobicContact CD2-CG 4.06Å; W324-P332 HydrophobicContact CG-CG 3.96Å
325L95.4Very high94.6Very high0 Ų058.3 Ų58.30%030%0.304CS..Hα-helixtrans-67.5-29.3-177.1-70.7174.5000112.5G256 A257 I262 T266 L310 V321 D322 T327 S328 I338G256-L325 CarbonylContact C-O 3.6Å; G256-L325 WeakPolarHBondContact CA-O 3.38Å; A257-L325 PolarHBondContact N-O 2.96Å; I262-L325 HydrophobicContact CD1-CB 3.57Å; I262-L325 HydrophobicContact CG1-CB 3.84Å; I262-L325 HydrophobicContact CG1-CD1 4.29Å; I262-L325 HydrophobicContact CG2-CD1 3.78Å; T266-L325 HydrophobicContact CG2-CD1 4.36Å; L310-L325 HydrophobicContact CD1-CD1 4.39Å; V321-L325 HydrophobicContact CG2-CD1 4Å; V321-L325 HydrophobicContact CG2-CG 4.08Å; V321-L325 WeakPolarHBondContact O-CB 3.44Å; V321-L325 VanDerWaalsContact O-CG 3.24Å; V321-L325 WeakPolarHBondContact O-CG 3.45Å; V321-L325 PolarHBondContact O-N 3Å; D322-L325 PolarHBondContact O-N 3.47Å; L325-T327 PolarHBondContact O-N 3.44Å; L325-S328 WeakPolarHBondContact CA-O 3.21Å; L325-S328 WeakPolarHBondContact CD2-O 3.48Å; L325-S328 CarbonylContact O-C 3.57Å; L325-S328 PolarHBondContact O-N 2.66Å; L325-I338 HydrophobicContact CD1-CD1 4.32Å; L325-I338 HydrophobicContact CD1-CG2 4.15Å; L325-I338 HydrophobicContact CD2-CD1 4.33Å; L325-I338 HydrophobicContact CD2-CG2 3.7Å
326A92.8Very high94.5Very high61 Ų6159.2 Ų59.250%0.50431%0.311SS..THydrogen-bonded Turntrans-61.4-19.9168.800000113.5G256 D322 W324G256-A326 WeakPolarHBondContact CA-O 3.49Å; D322-A326 WeakPolarHBondContact O-CB 3Å; D322-A326 PolarHBondContact O-N 3.07Å; W324-A326 VanDerWaalsContact C-N 3.29Å; W324-A326 PolarHBondContact O-N 2.82Å
327T91.2Very high94.3Very high102 Ų10261.1 Ų61.163%0.62632%0.321SS*.THydrogen-bonded Turntrans-102.4-33.3175.4-500000112.6R255 G256 Q323 W324 L325R255-T327 CarbonylContact C-O 3.49Å; G256-T327 VanDerWaalsContact CA-C 3.45Å; G256-T327 PolarHBondContact N-O 3.25Å; G256-T327 VanDerWaalsContact N-O 3.14Å; Q323-T327 PolarHBondContact O-OG1 3.15Å; W324-T327 WeakPolarHBondContact O-CA 3.42Å; W324-T327 WeakPolarHBondContact O-CB 3.34Å; W324-T327 PolarHBondContact O-N 2.91Å; L325-T327 PolarHBondContact O-N 3.44Å
328S92.1Very high94.1Very high33 Ų3360.1 Ų60.123%0.23132%0.316CS..  trans-151.8121-175.3173.80000112.1R255 W324 L325 K330R255-S328 WeakPolarHBondContact O-CA 3.48Å; W324-S328 PolarHBondContact O-N 3.35Å; L325-S328 WeakPolarHBondContact CA-O 3.21Å; L325-S328 WeakPolarHBondContact CD2-O 3.48Å; L325-S328 CarbonylContact O-C 3.57Å; L325-S328 PolarHBondContact O-N 2.66Å; S328-K330 PolarHBondContact O-N 2.98Å
329R92.9Very high93.8Very high90 Ų9061.3 Ų61.334%0.3432%0.322SS..SBendtrans-64.42.7179.1-55.8-168.3-164.9158.414.6115.9R255 G256 A257 D337 I338 E339R255-R329 WeakPolarHBondContact O-CG 3.49Å; R255-R329 PolarHBondContact O-N 3.46Å; R255-R329 VanDerWaalsContact O-N 3.13Å; G256-R329 PolarHBondContact O-NE 3.01Å; G256-R329 PolarHBondContact O-NH2 3.38Å; G256-R329 VanDerWaalsContact O-NH2 3.12Å; A257-R329 HydrophobicContact CB-CG 3.83Å; R329-D337 WeakPolarHBondContact O-CA 3.2Å; R329-I338 HydrophobicContact CB-CG1 4.38Å; R329-I338 PolarHBondContact O-N 2.8Å; R329-E339 VanDerWaalsContact CD-OE1 3.29Å; R329-E339 WeakPolarHBondContact CD-OE1 3.29Å; R329-E339 IonicContact CZ-OE1 2.78Å; R329-E339 IonicContact NE-OE1 3.63Å; R329-E339 IonicContact NH1-OE1 3.63Å; R329-E339 PolarHBondContact NH1-OE1 2.93Å
330K93.3Very high93.1Very high106 Ų10661.9 Ų61.946%0.46132%0.315SS..BIsolated β-bridgetrans-105.8137.8-170.9-64.9-177.9176.2-168.10111.7W324 S328 R335 V336W324-K330 PolarHBondContact NE1-O 2.93Å; S328-K330 PolarHBondContact O-N 2.98Å; K330-R335 WeakPolarHBondContact CD-O 3.45Å; K330-V336 CarbonylContact C-O 3.54Å; K330-V336 WeakPolarHBondContact CA-O 3.37Å
331C95Very high91.4Very high1 Ų168.4 Ų68.41%0.00734%0.342CS..  trans-53.5132.2175.3178.10000111.8L310 C312 I333 C334 R335 V336L310-C331 HydrophobicContact CD2-CB 3.74Å; C312-C331 VanDerWaalsContact SG-CB 3.6Å; C331-I333 PolarHBondContact O-N 2.93Å; C331-I333 PolarHBondContact SG-N 2.69Å; C331-I333 VanDerWaalsContact SG-N 3.45Å; C331-C334 VanDerWaalsContact CB-SG 3.58Å; C331-C334 VanDerWaalsContact SG-SG 3.66Å; C331-R335 WeakPolarHBondContact O-CA 3.45Å; C331-R335 PolarHBondContact O-N 2.95Å; C331-V336 PolarHBondContact N-O 3.49Å
332P94.1Very high89.6Confident37 Ų3772.7 Ų72.724%0.2436%0.364CS..THydrogen-bonded Turntrans-55-33.5176.4-24.530.6000114.1I296 F316 W324I296-P332 HydrophobicContact CD1-CG 4.12Å; I296-P332 HydrophobicContact CG1-CG 4.3Å; F316-P332 HydrophobicContact CE1-CB 4.36Å; F316-P332 HydrophobicContact CE1-CG 4.09Å; F316-P332 HydrophobicContact CZ-CB 4.39Å; F316-P332 HydrophobicContact CZ-CG 4.02Å; W324-P332 HydrophobicContact CD2-CG 4.06Å; W324-P332 HydrophobicContact CG-CG 3.96Å
333I92.9Very high87.5Confident79 Ų7977.6 Ų77.641%0.40539%0.39SS..THydrogen-bonded Turntrans-87.5-60.8-172.8-60.5170.4000111T295 H314 F316 C331T295-I333 HydrophobicContact CG2-CD1 3.98Å; H314-I333 HydrophobicContact CB-CD1 4.27Å; H314-I333 VanDerWaalsContact CD2-CD1 3.45Å; H314-I333 WeakPolarHBondContact CD2-CD1 3.35Å; H314-I333 WeakPolarHBondContact NE2-CG2 3.39Å; F316-I333 HydrophobicContact CE1-CD1 3.73Å; F316-I333 HydrophobicContact CE1-CG1 4.09Å; F316-I333 HydrophobicContact CZ-CD1 3.63Å; F316-I333 HydrophobicContact CZ-CG1 3.93Å; C331-I333 PolarHBondContact O-N 2.93Å; C331-I333 PolarHBondContact SG-N 2.69Å; C331-I333 VanDerWaalsContact SG-N 3.45Å
334C93.3Very high85.5Confident50 Ų5076.1 Ų76.134%0.33839%0.394SS..THydrogen-bonded Turntrans-98.9-5.2-173.464.60000115.2C312 C331 V336C312-C334 VanDerWaalsContact CB-SG 3.55Å; C331-C334 VanDerWaalsContact CB-SG 3.58Å; C331-C334 VanDerWaalsContact SG-SG 3.66Å; C334-V336 HydrophobicContact CB-CG2 4.2Å; C334-V336 PolarHBondContact O-N 2.78Å
335R92Very high83.1Confident200 Ų20077.8 Ų77.876%0.75541%0.411SS*.  trans58.810.7-178.6-52.5-179.1179.3-164.8-2.1115.9K330 C331K330-R335 WeakPolarHBondContact CD-O 3.45Å; C331-R335 WeakPolarHBondContact O-CA 3.45Å; C331-R335 PolarHBondContact O-N 2.95Å
336V92.1Very high80.4Confident45 Ų4586.4 Ų86.427%0.27347%0.471SS..  trans-67.2142.3168.6178.60000109C312 K330 C331 C334 T340 L342C312-V336 HydrophobicContact CB-CB 4.37Å; K330-V336 CarbonylContact C-O 3.54Å; K330-V336 WeakPolarHBondContact CA-O 3.37Å; C331-V336 PolarHBondContact N-O 3.49Å; C334-V336 HydrophobicContact CB-CG2 4.2Å; C334-V336 PolarHBondContact O-N 2.78Å; V336-T340 VanDerWaalsContact CG1-OG1 3.24Å; V336-T340 WeakPolarHBondContact CG1-OG1 3.26Å; V336-L342 HydrophobicContact CG1-CD1 4.38Å; V336-L342 HydrophobicContact CG1-CD2 4.19Å; V336-L342 HydrophobicContact CG1-CG 4.46Å
337D92.7Very high79.8Confident40 Ų4087.7 Ų87.721%0.21447%0.47CS..BIsolated β-bridgetrans-77145.1-179.9-154.9-66.4000111R329 E339 T340R329-D337 WeakPolarHBondContact O-CA 3.2Å; D337-E339 PolarHBondContact O-N 3.47Å; D337-E339 PolarHBondContact OD1-N 2.95Å; D337-T340 HydrophobicContact CB-CG2 4.08Å; D337-T340 PolarHBondContact O-N 2.85Å; D337-T340 PolarHBondContact O-OG1 2.97Å
338I93.1Very high79.2Confident3 Ų386.9 Ų86.92%0.01546%0.462CS..THydrogen-bonded Turntrans-66.5-25.7175.263.9174.6000112.4A257 T261 I262 F265 T266 L310 P311 L325 R329 T340A257-I338 HydrophobicContact CB-CD1 3.94Å; T261-I338 HydrophobicContact CG2-CD1 4.45Å; I262-I338 HydrophobicContact CG1-CD1 4.35Å; F265-I338 HydrophobicContact CB-CB 4.37Å; F265-I338 HydrophobicContact CB-CG1 4.45Å; F265-I338 WeakPolarHBondContact CB-O 3.46Å; T266-I338 HydrophobicContact CG2-CB 4.29Å; T266-I338 HydrophobicContact CG2-CG2 4.05Å; L310-I338 HydrophobicContact CD2-CG2 3.88Å; L310-I338 HydrophobicContact CG-CG2 3.93Å; P311-I338 WeakPolarHBondContact CG-O 3.47Å; L325-I338 HydrophobicContact CD1-CD1 4.32Å; L325-I338 HydrophobicContact CD1-CG2 4.15Å; L325-I338 HydrophobicContact CD2-CD1 4.33Å; L325-I338 HydrophobicContact CD2-CG2 3.7Å; R329-I338 HydrophobicContact CB-CG1 4.38Å; R329-I338 PolarHBondContact O-N 2.8Å; I338-T340 VanDerWaalsContact C-N 3.34Å
339E89.5Confident78.5Confident77 Ų7789.9 Ų89.936%0.3647%0.474SS..THydrogen-bonded Turntrans-80.1-16.8179.2-63.4-178.1-145.200112.5T261 F265 R329 D337 Q341T261-E339 HydrophobicContact CG2-CG 4.2Å; F265-E339 HydrophobicContact CD2-CG 4.11Å; F265-E339 HydrophobicContact CE2-CG 4.09Å; F265-E339 HydrophobicContact CG-CG 4.46Å; F265-E339 HydrophobicContact CZ-CG 4.42Å; R329-E339 VanDerWaalsContact CD-OE1 3.29Å; R329-E339 WeakPolarHBondContact CD-OE1 3.29Å; R329-E339 IonicContact CZ-OE1 2.78Å; R329-E339 IonicContact NE-OE1 3.63Å; R329-E339 IonicContact NH1-OE1 3.63Å; R329-E339 PolarHBondContact NH1-OE1 2.93Å; D337-E339 PolarHBondContact O-N 3.47Å; D337-E339 PolarHBondContact OD1-N 2.95Å; E339-Q341 PolarHBondContact O-N 3.29Å
340T81.8Confident77.7Confident67 Ų6789.9 Ų89.941%0.41148%0.482SS..SBendtrans-75.8110.7176.151.60000111.3V336 D337 I338 L342V336-T340 VanDerWaalsContact CG1-OG1 3.24Å; V336-T340 WeakPolarHBondContact CG1-OG1 3.26Å; D337-T340 HydrophobicContact CB-CG2 4.08Å; D337-T340 PolarHBondContact O-N 2.85Å; D337-T340 PolarHBondContact O-OG1 2.97Å; I338-T340 VanDerWaalsContact C-N 3.34Å; T340-L342 PolarHBondContact O-N 3.09Å
341Q62.4Low76.7Confident167 Ų16788.9 Ų88.978%0.7848%0.484SS*.  trans-65.5115.1170.6-63.1-163.842.500109.6E339 N343E339-Q341 PolarHBondContact O-N 3.29Å; Q341-N343 PolarHBondContact O-N 3.09Å
342L58.1Low75.5Confident91 Ų9194.8 Ų94.848%0.47652%0.515SS..  trans-82.2102.4170.7-67.1175.4000108.4C312 V336 T340C312-L342 HydrophobicContact CB-CD1 3.8Å; V336-L342 HydrophobicContact CG1-CD1 4.38Å; V336-L342 HydrophobicContact CG1-CD2 4.19Å; V336-L342 HydrophobicContact CG1-CG 4.46Å; T340-L342 PolarHBondContact O-N 3.09Å
343N52.8Low74.1Confident121 Ų12198.9 Ų98.965%0.64754%0.535SS*.  trans-60.2128165.9-67.6-14.4000108.1Q341 D345Q341-N343 PolarHBondContact O-N 3.09Å; N343-D345 PolarHBondContact O-N 2.85Å; N343-D345 VanDerWaalsContact O-N 3.13Å
344P52.7Low72.7Confident120 Ų120100.5 Ų100.578%0.77955%0.545SS*.SBendtrans-73.92.5-17730-35.6000114.5
345D45.2Very low71Confident143 Ų143104.7 Ų104.777%0.76556%0.562SS**  trans-118.257-168.4-56.9-51.1000112.6N343N343-D345 PolarHBondContact O-N 2.85Å; N343-D345 VanDerWaalsContact O-N 3.13Å
346S39.4Very low69.1Low182 Ų18296 Ų96100%1.27355%0.545SS*.  trans-1430176.2-67.10000113.3

Retrieved 346 of 346 residues in 100.1 ms (Link to these results)