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Isoform 2 of Autism susceptibility gene 2 protein homolog AlphaSync

Canonical isoform description: Component of a Polycomb group (PcG) multiprotein PRC1-like complex, a complex class required to maintain the transcriptionally repressive state of many genes, including Hox genes, throughout development. PcG PRC1 complex acts via chromatin remodeling and modification of histones; it mediates monoubiquitination of histone H2A 'Lys-119', rendering chromatin heritably changed in its expressibility. The PRC1-like complex that contains PCGF5, RNF2, CSNK2B, RYBP and AUTS2 has decreased histone H2A ubiquitination activity, due to the phosphorylation of RNF2 by CSNK2B. As a consequence, the complex mediates transcriptional activation (By similarity). In the cytoplasm, plays a role in axon and dendrite elongation and in neuronal migration during embryonic brain development. Promotes reorganization of the actin cytoskeleton, lamellipodia formation and neurite elongation via its interaction with RAC guanine nucleotide exchange factors, which then leads to the activation of RAC11.

AlphaFold DB , UniProt , Accession A0A087WPF7-2 (canonical: A0A087WPF7), Species MOUSE (Mus musculus, Mouse), Gene Auts2, Length 258 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
1M55.3Low56.3Low234 Ų234152.2 Ų152.2100%1.15384%0.837SS**  087.30-88.5-79.5105.700106.8G3M1-G3 PolarHBondContact O-N 3.4Å
2D62.9Low57.2Low170 Ų170156.6 Ų156.691%0.90984%0.842SS**PPolyproline II helixtrans-70.4117.9-177.1-60-80.2000110.4
3G62.6Low58.4Low61 Ų61160.3 Ų160.363%0.62985%0.846SS**PPolyproline II helixtrans-92154.2178.900000112.4M1 T5M1-G3 PolarHBondContact O-N 3.4Å; G3-T5 PolarHBondContact O-N 3.47Å
4P61.6Low59.7Low117 Ų117164.7 Ų164.776%0.7685%0.845SS**PPolyproline II helixtrans-70120.4-150.8-18.631.6000115.2R6P4-R6 VanDerWaalsContact C-N 3.32Å; P4-R6 HydrophobicContact CB-CB 4.47Å; P4-R6 HydrophobicContact CB-CG 4.15Å; P4-R6 PolarHBondContact O-N 3.27Å
5T51.8Low61.1Low147 Ų147163.5 Ų163.590%0.90283%0.826SS**  trans-69.384.7156.849.50000109.1G3G3-T5 PolarHBondContact O-N 3.47Å
6R60.1Low62.4Low230 Ų230156.9 Ų156.987%0.86880%0.799SS**  trans-140.6116177.9-70.8-167.9175.8-170.7-0.5112.8P4P4-R6 VanDerWaalsContact C-N 3.32Å; P4-R6 HydrophobicContact CB-CB 4.47Å; P4-R6 HydrophobicContact CB-CG 4.15Å; P4-R6 PolarHBondContact O-N 3.27Å
7G51Low63.6Low71 Ų71159.2 Ų159.273%0.73280%0.796SS**  trans106.893.5143.700000114.1G9G7-G9 PolarHBondContact O-N 2.72Å
8H48.2Very low64.7Low184 Ų184154.7 Ų154.785%0.85278%0.782SS**  trans-3697.6155.3-157.6-84.5000109.7L10H8-L10 VanDerWaalsContact C-N 3.28Å; H8-L10 PolarHBondContact O-N 3.42Å
9G50.3Low65.7Low68 Ų68151.9 Ų151.970%0.70177%0.766SS**  trans-72.285.1-170.700000110G7 R11G7-G9 PolarHBondContact O-N 2.72Å; G9-R11 PolarHBondContact O-N 3.38Å
10L59.9Low66.8Low155 Ų155150.2 Ų150.281%0.81275%0.75SS**  trans-42.9106.2168-62.6173.3000107.2H8 K12H8-L10 VanDerWaalsContact C-N 3.28Å; H8-L10 PolarHBondContact O-N 3.42Å; L10-K12 PolarHBondContact O-N 2.78Å
11R55.5Low67.7Low237 Ų237146.5 Ų146.589%0.89473%0.732SS**  trans-44.6114.7178.5-79.1168.867.1169.90.8106.6G9 K13G9-R11 PolarHBondContact O-N 3.38Å; R11-K13 PolarHBondContact O-N 3.21Å
12K67.4Low69.1Low205 Ų205144.7 Ų144.789%0.89171%0.713SS**  trans-47.4104.8-179-79176.5176.6172.40107.9L10 R14L10-K12 PolarHBondContact O-N 2.78Å; K12-R14 PolarHBondContact O-N 3.41Å
13K72.5Confident70.2Confident205 Ų205140.1 Ų140.189%0.89169%0.686SS**PPolyproline II helixtrans-60.2117.7-180-168.3172.3-176.9176.40105.8R11 R15R11-K13 PolarHBondContact O-N 3.21Å; K13-R15 PolarHBondContact O-N 3.33Å
14R76.7Confident71Confident222 Ų222146 Ų14684%0.83869%0.689SS**PPolyproline II helixtrans-52.8130.9177.7-71.2173.464.9118.9-3.2107.6K12 S16K12-R14 PolarHBondContact O-N 3.41Å; R14-S16 PolarHBondContact O-N 3.43Å
15R81.4Confident71.7Confident147 Ų147148.9 Ų148.956%0.55569%0.685SS**PPolyproline II helixtrans-50134176.5-69.4-173178.6149.44.4109.6K13 R20 E23K13-R15 PolarHBondContact O-N 3.33Å; R15-R20 HydrophobicContact CB-CG 4.1Å; R15-E23 IonicContact NH1-OE2 2.76Å; R15-E23 PolarHBondContact NH1-OE2 2.9Å
16S80.7Confident72.8Confident57 Ų57145.5 Ų145.540%0.39967%0.667SS.*PPolyproline II helixtrans-59.6157.9179.883.20000110.2R14 S18 Q19 R20R14-S16 PolarHBondContact O-N 3.43Å; S16-S18 PolarHBondContact O-N 2.92Å; S16-S18 PolarHBondContact OG-N 3.33Å; S16-S18 PolarHBondContact OG-OG 3.49Å; S16-Q19 PolarHBondContact O-N 3.01Å; S16-Q19 PolarHBondContact OG-N 3.35Å; S16-R20 PolarHBondContact O-N 3.5Å
17R83.1Confident73.4Confident197 Ų197143.3 Ų143.374%0.74366%0.659SS**Hα-helixtrans-57.2-39.3173.3-76.1179.8175.2176.6-1.6111.3R20 D21R17-R20 PolarHBondContact O-N 3.41Å; R17-D21 PolarHBondContact O-N 2.86Å
18S84.2Confident73.9Confident78 Ų78143.4 Ų143.455%0.54565%0.653SS.*Hα-helixtrans-66.8-37.4178.860.80000113.9S16 R20 D21 R22S16-S18 PolarHBondContact O-N 2.92Å; S16-S18 PolarHBondContact OG-N 3.33Å; S16-S18 PolarHBondContact OG-OG 3.49Å; S18-R20 VanDerWaalsContact C-N 3.35Å; S18-D21 PolarHBondContact O-N 3.09Å; S18-R22 PolarHBondContact O-N 3.44Å
19Q83.9Confident74.4Confident102 Ų102137.8 Ų137.848%0.47765%0.645SS.*Hα-helixtrans-66.8-39.8176.2-165.2-17820.300111.1S16 E23S16-Q19 PolarHBondContact O-N 3.01Å; S16-Q19 PolarHBondContact OG-N 3.35Å; Q19-E23 PolarHBondContact O-N 3.1Å; Q19-E23 VanDerWaalsContact O-N 3.11Å
20R87.4Confident74.7Confident117 Ų117141.8 Ų141.844%0.44265%0.65SS.*Hα-helixtrans-66.8-36.4174.7-71.6-172.1-73.3149.2-1112.3R15 S16 R17 S18 R24R15-R20 HydrophobicContact CB-CG 4.1Å; S16-R20 PolarHBondContact O-N 3.5Å; R17-R20 PolarHBondContact O-N 3.41Å; S18-R20 VanDerWaalsContact C-N 3.35Å; R20-R24 WeakPolarHBondContact O-CG 3.46Å; R20-R24 PolarHBondContact O-N 3.17Å
21D85.6Confident73.9Confident73 Ų73137 Ų13739%0.3964%0.638SS.*Hα-helixtrans-69.5-41.3177.2-161.255.4000112.1R17 S18 E23 R24 R25R17-D21 PolarHBondContact O-N 2.86Å; S18-D21 PolarHBondContact O-N 3.09Å; D21-E23 PolarHBondContact O-N 3.06Å; D21-R24 PolarHBondContact O-N 3.4Å; D21-R25 WeakPolarHBondContact O-CG 3.48Å; D21-R25 PolarHBondContact O-N 3.33Å; D21-R25 IonicContact OD2-CZ 2.63Å; D21-R25 IonicContact OD2-NE 2.8Å; D21-R25 PolarHBondContact OD2-NE 3.09Å; D21-R25 IonicContact OD2-NH2 3.92Å; D21-R25 PolarHBondContact OD2-NH2 3.22Å
22R84.8Confident73.4Confident195 Ų195133 Ų13374%0.73664%0.64SS**Hα-helixtrans-59-45.6171.4-86.8-172.7-174.2136.51.7112.4S18 R24 R25 S26S18-R22 PolarHBondContact O-N 3.44Å; R22-R24 VanDerWaalsContact C-N 3.29Å; R22-R24 PolarHBondContact O-N 3.42Å; R22-R25 PolarHBondContact O-N 2.95Å; R22-S26 WeakPolarHBondContact O-CB 3.4Å; R22-S26 PolarHBondContact O-N 3.49Å; R22-S26 PolarHBondContact O-OG 2.63Å
23E84.4Confident72.1Confident75 Ų75126.6 Ų126.635%0.3563%0.633SS.*Hα-helixtrans-64-34.9178.3-172.4172.7-172.200111.8R15 Q19 D21 S26 R27R15-E23 IonicContact NH1-OE2 2.76Å; R15-E23 PolarHBondContact NH1-OE2 2.9Å; Q19-E23 PolarHBondContact O-N 3.1Å; Q19-E23 VanDerWaalsContact O-N 3.11Å; D21-E23 PolarHBondContact O-N 3.06Å; E23-S26 WeakPolarHBondContact CA-OG 3.39Å; E23-S26 PolarHBondContact O-OG 3.32Å; E23-R27 WeakPolarHBondContact O-CB 3.3Å; E23-R27 VanDerWaalsContact O-CG 3.29Å; E23-R27 WeakPolarHBondContact O-CG 3.3Å; E23-R27 PolarHBondContact O-N 3.35Å; E23-R27 VanDerWaalsContact O-N 3.15Å
24R80.3Confident70.6Confident185 Ų185121.7 Ų121.770%0.69863%0.63SS**Hα-helixtrans-68.3-45.8171.9-79.6-177.4178.3-85.2-0.4112R20 D21 R22 R27 A28R20-R24 WeakPolarHBondContact O-CG 3.46Å; R20-R24 PolarHBondContact O-N 3.17Å; D21-R24 PolarHBondContact O-N 3.4Å; R22-R24 VanDerWaalsContact C-N 3.29Å; R22-R24 PolarHBondContact O-N 3.42Å; R24-R27 CarbonylContact O-C 3.46Å; R24-R27 PolarHBondContact O-N 2.95Å; R24-A28 WeakPolarHBondContact O-CB 3.3Å; R24-A28 PolarHBondContact O-N 3.09Å
25R77.1Confident68.8Low176 Ų176116 Ų11666%0.66463%0.631SS**Hα-helixtrans-65.2-40.4178.1-70.8177-172-123.11.8112.3D21 R22 R27 A28 G29D21-R25 WeakPolarHBondContact O-CG 3.48Å; D21-R25 PolarHBondContact O-N 3.33Å; D21-R25 IonicContact OD2-CZ 2.63Å; D21-R25 IonicContact OD2-NE 2.8Å; D21-R25 PolarHBondContact OD2-NE 3.09Å; D21-R25 IonicContact OD2-NH2 3.92Å; D21-R25 PolarHBondContact OD2-NH2 3.22Å; R22-R25 PolarHBondContact O-N 2.95Å; R25-R27 PolarHBondContact O-N 2.8Å; R25-A28 PolarHBondContact O-N 2.8Å; R25-G29 PolarHBondContact O-N 2.76Å
26S75.3Confident66.9Low77 Ų77112.8 Ų112.854%0.53864%0.643SS.*Hα-helixtrans-66-27.1175.466.40000112.3R22 E23R22-S26 WeakPolarHBondContact O-CB 3.4Å; R22-S26 PolarHBondContact O-N 3.49Å; R22-S26 PolarHBondContact O-OG 2.63Å; E23-S26 WeakPolarHBondContact CA-OG 3.39Å; E23-S26 PolarHBondContact O-OG 3.32Å
27R71.2Confident64.8Low183 Ų183113.4 Ų113.469%0.69166%0.658SS**Hα-helixtrans-87.7-28172.3-70.3-170.4-179.4-84.30.4113.4E23 R24 R25 L30E23-R27 WeakPolarHBondContact O-CB 3.3Å; E23-R27 VanDerWaalsContact O-CG 3.29Å; E23-R27 WeakPolarHBondContact O-CG 3.3Å; E23-R27 PolarHBondContact O-N 3.35Å; E23-R27 VanDerWaalsContact O-N 3.15Å; R24-R27 CarbonylContact O-C 3.46Å; R24-R27 PolarHBondContact O-N 2.95Å; R25-R27 PolarHBondContact O-N 2.8Å; R27-L30 PolarHBondContact O-N 2.77Å
28A62.4Low62.6Low73 Ų73112.7 Ų112.760%0.60367%0.667SS**Hα-helixtrans-83.4-22.3-179.700000113R24 R25 L30R24-A28 WeakPolarHBondContact O-CB 3.3Å; R24-A28 PolarHBondContact O-N 3.09Å; R25-A28 PolarHBondContact O-N 2.8Å; A28-L30 PolarHBondContact O-N 2.99Å
29G58.4Low60.4Low67 Ų67112.7 Ų112.769%0.69168%0.679SS**THydrogen-bonded Turntrans-73.21.2168.200000114.1R25R25-G29 PolarHBondContact O-N 2.76Å
30L55.8Low58.2Low152 Ų152113 Ų11380%0.79670%0.7SS**SBendtrans-125.953.3176.9-62.6171.9000108.5R27 A28R27-L30 PolarHBondContact O-N 2.77Å; A28-L30 PolarHBondContact O-N 2.99Å
31G43.7Very low55.7Low55 Ų55110.5 Ų110.557%0.56771%0.71SS**  trans-16627.7-163.900000119.4
32T45Very low53.6Low151 Ų151118 Ų11893%0.92673%0.733SS**  trans-137.657.3153550000109
33G39.7Very low51.5Low72 Ų72115.1 Ų115.174%0.74274%0.737SS**  trans-10891.7161.200000107.5
34A40.6Very low49.4Very low102 Ų102122.7 Ų122.784%0.84376%0.763SS**  trans-75.3117.715700000106.5
35A40.9Very low47.6Very low103 Ų103118.2 Ų118.285%0.85177%0.765SS**SBendtrans80.7122.7174.400000118.4
36G39.6Very low46.2Very low79 Ų79115.6 Ų115.681%0.81477%0.771SS**  trans90.3108162.400000114.1
37G38.2Very low44.7Very low69 Ų69116.9 Ų116.971%0.71178%0.78SS**  87.790.97100000108.7
38I35.9Very low43.4Very low183 Ų183116.4 Ų116.494%0.93879%0.79SS**  27.5110.4106.2-40.4179.5000112.3
39G38.2Very low42.8Very low77 Ų77117.3 Ų117.379%0.79480%0.798SS**  trans151.3117.6161.300000115.5
40A37.2Very low42Very low110 Ų110119.6 Ų119.691%0.90980%0.803SS**  trans-71159.8169.600000112.2
41G36.6Very low41.4Very low64 Ų64117.5 Ų117.566%0.6680%0.801SS**  trans121.591.9166.700000112.3
42R40.4Very low41.5Very low229 Ų229120.9 Ų120.986%0.86482%0.816SS**  79.1124.289.2-78.4-178.9151.6-117.2-5113.5
43T39.9Very low41.5Very low136 Ų136117.1 Ų117.183%0.83481%0.808SS**  trans77.3139163.775.10000116
44R40.5Very low42.3Very low233 Ų233119.4 Ų119.488%0.87981%0.812SS**  cis-176.9106.4-7.3170.5177.5-175.5-178.20.9103.6
45A42.5Very low42.8Very low91 Ų91122.4 Ų122.475%0.75281%0.814SS**  76.9152.2113.600000116.9
46P48.4Very low43.7Very low121 Ų121127.1 Ų127.179%0.78682%0.815SS**  trans-111.9157.1-147.239.9-29.6000114.5
47S43.2Very low44.2Very low104 Ų104132.3 Ų132.373%0.72782%0.819SS**  trans-169118165.429.10000111.5
48L44.9Very low45Very low173 Ų173136.1 Ų136.191%0.90682%0.822SS**  92.8136.888.7-71.7169.3000113.1
49A49.3Very low45.4Very low92 Ų92135.1 Ų135.176%0.7682%0.819SS**  trans95.498.9159.600000119.5
50S41.5Very low45.7Very low116 Ų116134 Ų13481%0.81181%0.807SS**  18.1145.9115.5-48.40000118
51S42.9Very low46.9Very low107 Ų107138 Ų13875%0.74880%0.804SS**  cis-179143.810.442.10000108.4
52S47.2Very low48Very low127 Ų127139.7 Ų139.789%0.88880%0.803SS**  trans177.6120.8153.9-890000106.4
53G44.1Very low48.5Very low72 Ų72135.4 Ų135.474%0.74281%0.806SS**  cis105.291.335.600000107.9
54S55.5Low49.1Very low120 Ų120133.1 Ų133.184%0.83980%0.795SS**  trans172.1115.9142.540.60000110.9
55D51.7Low49.5Very low164 Ų164127.1 Ų127.188%0.87779%0.789SS**  trans-61.6127.4167.4-59.7-86.7000111
56K61.1Low50.3Low203 Ų203126.8 Ų126.888%0.88379%0.786SS**  trans-149.2113.3151.2-109177.6-179.6177.80108.6D58K56-D58 PolarHBondContact O-N 3.02Å
57E49Very low50.8Low188 Ų188127.3 Ų127.388%0.87979%0.789SS**  trans-57.6117.7166.6-61.6179.296.800109
58D54.6Low51.6Low148 Ų148127.5 Ų127.579%0.79179%0.791SS**  trans-139.9111.6155.1-172.448.5000108.9K56 G60K56-D58 PolarHBondContact O-N 3.02Å; D58-G60 PolarHBondContact O-N 3.4Å
59N43.9Very low52.7Low162 Ų162129.9 Ų129.987%0.86679%0.788SS**  trans-71.171.5175.7-84-80.8000109.5
60G46.1Very low53.7Low53 Ų53131.3 Ų131.355%0.54679%0.79SS.*  trans-106.396.1179.600000112.1D58D58-G60 PolarHBondContact O-N 3.4Å
61K61.5Low55.1Low194 Ų194136.7 Ų136.784%0.84379%0.792SS**  trans-43.8134.7171.4-154.3176.6-170.6-169.90110.8
62P59Low56.7Low100 Ų100136.8 Ų136.865%0.64979%0.79SS**  trans-61.5149.2-178.326.6-34.3000110.3S64P62-S64 PolarHBondContact O-N 3.44Å
63P51.2Low58.1Low140 Ų140136.9 Ų136.991%0.90979%0.788SS**  trans-70.578.5176.330.3-33.6000109.1
64S52.3Low59.4Low87 Ų87144.8 Ų144.861%0.60880%0.795SS**  trans-82.5125.2175.178.60000109.6P62P62-S64 PolarHBondContact O-N 3.44Å
65S49.4Very low60.3Low108 Ų108150.3 Ų150.376%0.75580%0.797SS**  trans76.3122.7144.965.40000118.1
66A59.9Low61.2Low84 Ų84152.1 Ų152.169%0.69480%0.797SS**SBendtrans-32.1152.1165.300000115S68A66-S68 PolarHBondContact O-N 3.07Å
67P59.5Low61.6Low131 Ų131152.8 Ų152.885%0.85180%0.795SS**  trans-60.9104.8-177.625.6-33.3000110.3R69P67-R69 PolarHBondContact O-N 3.25Å
68S59Low62.6Low109 Ų109151.5 Ų151.576%0.76278%0.782SS**  trans-60.4111.1168.31720000107.7A66A66-S68 PolarHBondContact O-N 3.07Å
69R68.9Low62.7Low222 Ų222153 Ų15384%0.83878%0.784SS**PPolyproline II helixtrans-47.8137.3168.9-91.6-179.3172.4-119.70.7109.5P67 R71P67-R69 PolarHBondContact O-N 3.25Å; R69-R71 PolarHBondContact O-N 3.41Å; R69-R71 VanDerWaalsContact O-N 3.14Å
70P69.3Low63.3Low123 Ų123149.2 Ų149.280%0.79977%0.77SS**PPolyproline II helixtrans-61.1122177.124.7-30.7000108.4
71R72.3Confident63.9Low228 Ų228149.9 Ų149.986%0.8676%0.764SS**PPolyproline II helixtrans-62.1133.4172.3-80-177.7179.7-116.42.7107.8R69R69-R71 PolarHBondContact O-N 3.41Å; R69-R71 VanDerWaalsContact O-N 3.14Å
72P75.7Confident64Low110 Ų110143.4 Ų143.471%0.71474%0.743SS**PPolyproline II helixtrans-52143.1175.6-2431.8000110.3R74P72-R74 PolarHBondContact O-N 3.21Å
73P76Confident64.6Low128 Ų128140.4 Ų140.483%0.83173%0.727SS**  trans-52.6106.2177.3-24.633.1000109.5R75P73-R75 PolarHBondContact O-N 2.84Å
74R72.2Confident65.8Low238 Ų238136.3 Ų136.390%0.89870%0.695SS**  trans-64107.9176.4-171.1176.2176.7124.2-0.7105.6P72 K76P72-R74 PolarHBondContact O-N 3.21Å; R74-K76 PolarHBondContact O-N 3.45Å; R74-K76 VanDerWaalsContact O-N 3.16Å
75R73.4Confident67.3Low236 Ų236136.9 Ų136.989%0.89169%0.689SS**  trans-43.5126.2173-79.5173.963.5-169.8-1107.6P73 R77P73-R75 PolarHBondContact O-N 2.84Å; R75-R77 PolarHBondContact O-N 3.24Å; R75-R77 VanDerWaalsContact O-N 3.1Å
76K71Confident69.1Low202 Ų202135.4 Ų135.488%0.87867%0.672SS**PPolyproline II helixtrans-52.9122.3174.2-68.4-75.5-176.2171.20106.6R74 R78R74-K76 PolarHBondContact O-N 3.45Å; R74-K76 VanDerWaalsContact O-N 3.16Å; K76-R78 PolarHBondContact O-N 2.84Å; K76-R78 VanDerWaalsContact O-N 3.12Å
77R70.3Confident70.6Confident218 Ų218136.8 Ų136.882%0.82367%0.666SS**PPolyproline II helixtrans-55.9119.7177177.9176.1147.9-172.5-6.9106.7R75 E79R75-R77 PolarHBondContact O-N 3.24Å; R75-R77 VanDerWaalsContact O-N 3.1Å; R77-E79 PolarHBondContact O-N 2.85Å
78R69Low71.9Confident161 Ų161134.5 Ų134.561%0.60865%0.646SS**PPolyproline II helixtrans-52.8134.1174.7-177.1172.8173.1-118.6-7.2107.6K76 S80 T81 E84K76-R78 PolarHBondContact O-N 2.84Å; K76-R78 VanDerWaalsContact O-N 3.12Å; R78-S80 PolarHBondContact O-N 3.08Å; R78-S80 VanDerWaalsContact O-N 3.12Å; R78-T81 PolarHBondContact NH2-OG1 2.73Å; R78-T81 VanDerWaalsContact NH2-OG1 3.14Å; R78-E84 IonicContact CZ-OE2 3.48Å; R78-E84 VanDerWaalsContact NH1-CD 3.34Å; R78-E84 IonicContact NH1-OE1 2.83Å; R78-E84 PolarHBondContact NH1-OE1 3.44Å; R78-E84 VanDerWaalsContact NH1-OE1 3.13Å; R78-E84 IonicContact NH1-OE2 3.25Å; R78-E84 PolarHBondContact NH1-OE2 2.87Å
79E56.2Low73.4Confident178 Ų178136.6 Ų136.683%0.83265%0.649SS**PPolyproline II helixtrans-56.5119.2171.7-67.1174.6-178.800107.3R77 T81R77-E79 PolarHBondContact O-N 2.85Å; E79-T81 PolarHBondContact O-N 2.8Å
80S57.2Low74.5Confident83 Ų83126.9 Ų126.958%0.5862%0.618SS**  trans-61.6107.9-173.8260000108.8R78R78-S80 PolarHBondContact O-N 3.08Å; R78-S80 VanDerWaalsContact O-N 3.12Å
81T59.7Low75.6Confident67 Ų67125.3 Ų125.341%0.41160%0.599SS.*  trans-80.9131.4178.313.60000107.5R78 E79 A83 E84R78-T81 PolarHBondContact NH2-OG1 2.73Å; R78-T81 VanDerWaalsContact NH2-OG1 3.14Å; E79-T81 PolarHBondContact O-N 2.8Å; T81-A83 PolarHBondContact O-N 2.81Å; T81-E84 PolarHBondContact O-N 2.75Å
82S63.6Low76.5Confident58 Ų58114.7 Ų114.741%0.40656%0.56SS.*SBendtrans-59.1122.5176.8-1700000108.7V97S82-V97 PolarHBondContact OG-N 2.99Å
83A70.3Confident77.1Confident38 Ų38112.4 Ų112.431%0.31454%0.54SS..SBendtrans86.447.6-167.100000116.2T81 S95 F96T81-A83 PolarHBondContact O-N 2.81Å; A83-S95 WeakPolarHBondContact CA-O 3.49Å; A83-S95 PolarHBondContact N-O 2.82Å; A83-F96 HydrophobicContact CB-CE1 4.25Å
84E75.8Confident77.8Confident54 Ų54107.1 Ų107.125%0.25251%0.506SS..EExtended strand (participates in β ladder)trans-89.2126.8163-167.377.3167.100109.4R78 T81 T94 S95R78-E84 IonicContact CZ-OE2 3.48Å; R78-E84 VanDerWaalsContact NH1-CD 3.34Å; R78-E84 IonicContact NH1-OE1 2.83Å; R78-E84 PolarHBondContact NH1-OE1 3.44Å; R78-E84 VanDerWaalsContact NH1-OE1 3.13Å; R78-E84 IonicContact NH1-OE2 3.25Å; R78-E84 PolarHBondContact NH1-OE2 2.87Å; T81-E84 PolarHBondContact O-N 2.75Å; E84-T94 CarbonylContact O-C 3.59Å; E84-T94 VanDerWaalsContact O-CA 3.27Å; E84-T94 WeakPolarHBondContact O-CA 3.29Å; E84-S95 PolarHBondContact O-N 3.28Å; E84-S95 PolarHBondContact O-OG 2.81Å
85E85.3Confident78.6Confident99 Ų9997.1 Ų97.146%0.46347%0.472SS..EExtended strand (participates in β ladder)trans-111121.1177.3-177.5-176.517100109.5A92 M93E85-A92 HydrophobicContact CG-CB 4.14Å; E85-A92 WeakPolarHBondContact OE1-CB 3.36Å; E85-M93 CarbonylContact C-O 3.53Å; E85-M93 VanDerWaalsContact CA-O 3.29Å; E85-M93 WeakPolarHBondContact CA-O 3.42Å
86D87.4Confident79.3Confident76 Ų7686 Ų8641%0.40643%0.43SS..EExtended strand (participates in β ladder)trans-115.9130.9179.1-73.5-35.6000110.2I88 A92 M93D86-I88 HydrophobicContact CB-CG1 4.49Å; D86-A92 CarbonylContact O-C 3.51Å; D86-M93 HydrophobicContact CB-CE 4.26Å; D86-M93 PolarHBondContact N-O 3.14Å; D86-M93 PolarHBondContact O-N 3.13Å
87I89.9Confident80Confident113 Ų11380 Ų8058%0.57941%0.41SS*.EExtended strand (participates in β ladder)trans-95.3119.7174.5-57.9174.5000109.9F91 A92I87-F91 CarbonylContact C-O 3.55Å; I87-F91 VanDerWaalsContact CA-O 3.25Å; I87-F91 WeakPolarHBondContact CA-O 3.36Å; I87-A92 HydrophobicContact CG1-CB 4.39Å
88I86.9Confident80.6Confident83 Ų8373 Ų7343%0.42639%0.392SS..EExtended strand (participates in β ladder)trans-134.2126.1-178.4-51.8177.5000108.3D86 G90 F91 M93D86-I88 HydrophobicContact CB-CG1 4.49Å; I88-G90 PolarHBondContact O-N 3.21Å; I88-G90 VanDerWaalsContact O-N 3.08Å; I88-F91 PolarHBondContact N-O 3.35Å; I88-F91 WeakPolarHBondContact O-CB 3Å; I88-F91 PolarHBondContact O-N 2.8Å; I88-M93 HydrophobicContact CD1-CE 3.62Å
89D92.1Very high81.4Confident153 Ų15371.2 Ų71.282%0.81839%0.389SS*.THydrogen-bonded Turntrans51.135.7173.8-59.4-22.9000115F91D89-F91 VanDerWaalsContact O-CD2 3.28Å; D89-F91 WeakPolarHBondContact O-CD2 3.49Å
90G91.9Very high82.7Confident19 Ų1967.9 Ų67.920%0.19637%0.373CS..THydrogen-bonded Turntrans81.614.5-177.900000114.3I88 V256I88-G90 PolarHBondContact O-N 3.21Å; I88-G90 VanDerWaalsContact O-N 3.08Å; G90-V256 PolarHBondContact O-N 3.27Å
91F91.4Very high84Confident90 Ų9065.2 Ų65.240%0.39536%0.356SS..EExtended strand (participates in β ladder)trans-123136.8174.9-61.3-91.6000111.2I87 I88 D89 L253 V254 P255I87-F91 CarbonylContact C-O 3.55Å; I87-F91 VanDerWaalsContact CA-O 3.25Å; I87-F91 WeakPolarHBondContact CA-O 3.36Å; I88-F91 PolarHBondContact N-O 3.35Å; I88-F91 WeakPolarHBondContact O-CB 3Å; I88-F91 PolarHBondContact O-N 2.8Å; D89-F91 VanDerWaalsContact O-CD2 3.28Å; D89-F91 WeakPolarHBondContact O-CD2 3.49Å; F91-L253 HydrophobicContact CB-CD1 3.5Å; F91-L253 HydrophobicContact CB-CD2 4.35Å; F91-L253 HydrophobicContact CB-CG 3.86Å; F91-L253 HydrophobicContact CD1-CD2 4.2Å; F91-L253 HydrophobicContact CD1-CG 4.06Å; F91-L253 HydrophobicContact CG-CD1 4.32Å; F91-L253 HydrophobicContact CG-CD2 4.3Å; F91-L253 HydrophobicContact CG-CG 4.21Å; F91-V254 CarbonylContact C-O 3.49Å; F91-V254 VanDerWaalsContact CA-O 3.3Å; F91-V254 WeakPolarHBondContact CA-O 3.4Å; F91-P255 HydrophobicContact CD1-CB 4.08Å; F91-P255 HydrophobicContact CE1-CB 3.97Å
92A90.3Very high85.2Confident4 Ų463.2 Ų63.23%0.03334%0.343CS..EExtended strand (participates in β ladder)trans-87.7121.6167.900000109.7E85 D86 I87 L253 V254 V256E85-A92 HydrophobicContact CG-CB 4.14Å; E85-A92 WeakPolarHBondContact OE1-CB 3.36Å; D86-A92 CarbonylContact O-C 3.51Å; I87-A92 HydrophobicContact CG1-CB 4.39Å; A92-L253 CarbonylContact O-C 3.55Å; A92-L253 WeakPolarHBondContact O-CA 3.38Å; A92-V254 PolarHBondContact N-O 3.49Å; A92-V254 PolarHBondContact O-N 3.24Å; A92-V256 HydrophobicContact CB-CG2 3.67Å
93M89Confident86.4Confident63 Ų6365.6 Ų65.631%0.3135%0.347SS..EExtended strand (participates in β ladder)trans-108.4111.6177.9-177.7174.35800109.3E85 D86 I88 L252 L253E85-M93 CarbonylContact C-O 3.53Å; E85-M93 VanDerWaalsContact CA-O 3.29Å; E85-M93 WeakPolarHBondContact CA-O 3.42Å; D86-M93 HydrophobicContact CB-CE 4.26Å; D86-M93 PolarHBondContact N-O 3.14Å; D86-M93 PolarHBondContact O-N 3.13Å; I88-M93 HydrophobicContact CD1-CE 3.62Å; M93-L252 CarbonylContact C-O 3.56Å; M93-L252 WeakPolarHBondContact CA-O 3.12Å; M93-L253 HydrophobicContact CB-CD1 3.76Å; M93-L253 HydrophobicContact CG-CD1 4.33Å
94T90.2Very high86.9Confident16 Ų1669.5 Ų69.510%0.09836%0.358CS..EExtended strand (participates in β ladder)trans-103.7133.7176.8-50.50000110.7E84 F96 C251 L252E84-T94 CarbonylContact O-C 3.59Å; E84-T94 VanDerWaalsContact O-CA 3.27Å; E84-T94 WeakPolarHBondContact O-CA 3.29Å; T94-F96 HydrophobicContact CG2-CD2 4.41Å; T94-F96 HydrophobicContact CG2-CE1 4.2Å; T94-F96 HydrophobicContact CG2-CE2 3.56Å; T94-F96 HydrophobicContact CG2-CZ 3.43Å; T94-F96 VanDerWaalsContact CG2-CZ 3.43Å; T94-C251 CarbonylContact O-C 3.52Å; T94-C251 WeakPolarHBondContact O-CA 3.4Å; T94-L252 PolarHBondContact N-O 2.86Å; T94-L252 PolarHBondContact O-N 3.35Å
95S89.1Confident87Confident28 Ų2868.2 Ų68.220%0.19635%0.352CS..EExtended strand (participates in β ladder)trans-112137.6179.962.70000113.2A83 E84 T250A83-S95 WeakPolarHBondContact CA-O 3.49Å; A83-S95 PolarHBondContact N-O 2.82Å; E84-S95 PolarHBondContact O-N 3.28Å; E84-S95 PolarHBondContact O-OG 2.81Å; S95-T250 CarbonylContact C-O 3.49Å; S95-T250 WeakPolarHBondContact CA-O 3.46Å
96F88.8Confident86.7Confident3 Ų367.8 Ų67.81%0.01336%0.356CS..EExtended strand (participates in β ladder)trans-129.9137.4-178.3-56.8-89.4000111A83 T94 T98 A101 L102 D105 V249 T250 L252A83-F96 HydrophobicContact CB-CE1 4.25Å; T94-F96 HydrophobicContact CG2-CD2 4.41Å; T94-F96 HydrophobicContact CG2-CE1 4.2Å; T94-F96 HydrophobicContact CG2-CE2 3.56Å; T94-F96 HydrophobicContact CG2-CZ 3.43Å; T94-F96 VanDerWaalsContact CG2-CZ 3.43Å; F96-T98 VanDerWaalsContact C-N 3.34Å; F96-A101 HydrophobicContact CB-CB 4.29Å; F96-A101 HydrophobicContact CD1-CB 3.82Å; F96-A101 HydrophobicContact CG-CB 4.45Å; F96-L102 HydrophobicContact CB-CB 4.38Å; F96-L102 HydrophobicContact CD2-CB 3.88Å; F96-L102 HydrophobicContact CD2-CD1 3.59Å; F96-L102 HydrophobicContact CD2-CG 4.35Å; F96-L102 HydrophobicContact CE2-CB 4.34Å; F96-L102 HydrophobicContact CE2-CD1 3.47Å; F96-L102 VanDerWaalsContact CE2-CD1 3.47Å; F96-L102 HydrophobicContact CG-CB 4.08Å; F96-L102 HydrophobicContact CZ-CD1 4.38Å; F96-D105 HydrophobicContact CE1-CB 3.64Å; F96-D105 HydrophobicContact CE2-CB 4.45Å; F96-D105 HydrophobicContact CZ-CB 3.44Å; F96-D105 VanDerWaalsContact CZ-CB 3.44Å; F96-D105 VanDerWaalsContact CZ-CG 3.47Å; F96-V249 CarbonylContact O-C 3.51Å; F96-V249 WeakPolarHBondContact O-CA 3.4Å; F96-T250 WeakPolarHBondContact CB-OG1 3.29Å; F96-T250 PolarHBondContact N-O 3.25Å; F96-T250 PolarHBondContact O-N 2.82Å; F96-T250 PolarHBondContact O-OG1 3.43Å; F96-L252 HydrophobicContact CE2-CB 4.4Å
97V85.1Confident86Confident76 Ų7668.1 Ų68.146%0.46137%0.369SS..SBendtrans-76.3-24.9179.1177.70000111.8S82S82-V97 PolarHBondContact OG-N 2.99Å
98T84.3Confident84.7Confident72 Ų7265.2 Ų65.244%0.44236%0.357SS..SBendtrans-131.4147.7179.2640000110.7F96 E100 A101 L102F96-T98 VanDerWaalsContact C-N 3.34Å; T98-E100 VanDerWaalsContact C-N 3.29Å; T98-E100 PolarHBondContact O-N 2.83Å; T98-A101 WeakPolarHBondContact O-CB 3.34Å; T98-A101 PolarHBondContact O-N 3.34Å; T98-A101 WeakPolarHBondContact OG1-CB 3.45Å; T98-A101 PolarHBondContact OG1-N 3.12Å; T98-L102 PolarHBondContact O-N 3.42Å
99F84.4Confident83.3Confident123 Ų12369 Ų6954%0.53937%0.371SS..Hα-helixtrans-63.6-36.1176.4-178.2-108.3000112.1A101 L102 E103F99-A101 PolarHBondContact O-N 3.12Å; F99-L102 HydrophobicContact CD2-CD2 4.11Å; F99-L102 HydrophobicContact CE2-CD2 4.16Å; F99-L102 WeakPolarHBondContact O-CB 3.28Å; F99-L102 PolarHBondContact O-N 3Å; F99-L102 VanDerWaalsContact O-N 3.07Å; F99-E103 HydrophobicContact CD1-CG 4.05Å; F99-E103 HydrophobicContact CE1-CG 3.67Å; F99-E103 WeakPolarHBondContact CE1-OE1 3.25Å; F99-E103 HydrophobicContact CE2-CG 4.46Å; F99-E103 HydrophobicContact CZ-CG 3.88Å; F99-E103 PolarHBondContact O-N 3.16Å
100E85Confident81.7Confident108 Ų10866.4 Ų66.451%0.50536%0.362SS..Hα-helixtrans-58.6-35175.5-170.2-169.9165.800112.2T98 K104T98-E100 VanDerWaalsContact C-N 3.29Å; T98-E100 PolarHBondContact O-N 2.83Å; E100-K104 HydrophobicContact CG-CD 4.49Å; E100-K104 VanDerWaalsContact O-CG 3.3Å; E100-K104 WeakPolarHBondContact O-CG 3.35Å; E100-K104 PolarHBondContact O-N 3.1Å; E100-K104 VanDerWaalsContact OE1-CE 3.3Å; E100-K104 WeakPolarHBondContact OE1-CE 3.27Å; E100-K104 IonicContact OE1-NZ 3.59Å; E100-K104 PolarHBondContact OE1-NZ 3.23Å
101A83.8Confident79.9Confident26 Ų2673.6 Ų73.622%0.21539%0.39CS..Hα-helixtrans-69.7-38.6176.500000111.8F96 T98 F99 D105F96-A101 HydrophobicContact CB-CB 4.29Å; F96-A101 HydrophobicContact CD1-CB 3.82Å; F96-A101 HydrophobicContact CG-CB 4.45Å; T98-A101 WeakPolarHBondContact O-CB 3.34Å; T98-A101 PolarHBondContact O-N 3.34Å; T98-A101 WeakPolarHBondContact OG1-CB 3.45Å; T98-A101 PolarHBondContact OG1-N 3.12Å; F99-A101 PolarHBondContact O-N 3.12Å; A101-D105 WeakPolarHBondContact O-CB 3.16Å; A101-D105 PolarHBondContact O-N 3.21Å; A101-D105 VanDerWaalsContact O-N 3.09Å
102L85.6Confident78Confident26 Ų2674.2 Ų74.214%0.13639%0.394CS..Hα-helixtrans-62.2-47.7173.9174.172.9000111.3F96 T98 F99 K104 D105 V106 L252F96-L102 HydrophobicContact CB-CB 4.38Å; F96-L102 HydrophobicContact CD2-CB 3.88Å; F96-L102 HydrophobicContact CD2-CD1 3.59Å; F96-L102 HydrophobicContact CD2-CG 4.35Å; F96-L102 HydrophobicContact CE2-CB 4.34Å; F96-L102 HydrophobicContact CE2-CD1 3.47Å; F96-L102 VanDerWaalsContact CE2-CD1 3.47Å; F96-L102 HydrophobicContact CG-CB 4.08Å; F96-L102 HydrophobicContact CZ-CD1 4.38Å; T98-L102 PolarHBondContact O-N 3.42Å; F99-L102 HydrophobicContact CD2-CD2 4.11Å; F99-L102 HydrophobicContact CE2-CD2 4.16Å; F99-L102 WeakPolarHBondContact O-CB 3.28Å; F99-L102 PolarHBondContact O-N 3Å; F99-L102 VanDerWaalsContact O-N 3.07Å; L102-K104 VanDerWaalsContact C-N 3.33Å; L102-K104 PolarHBondContact O-N 3.29Å; L102-D105 WeakPolarHBondContact O-CA 3.48Å; L102-D105 WeakPolarHBondContact O-CB 3.35Å; L102-D105 PolarHBondContact O-N 2.94Å; L102-V106 HydrophobicContact CD1-CG2 4.16Å; L102-V106 HydrophobicContact CG-CG2 4.4Å; L102-V106 WeakPolarHBondContact O-CG2 3.48Å; L102-V106 PolarHBondContact O-N 2.78Å; L102-L252 HydrophobicContact CD1-CB 3.8Å; L102-L252 HydrophobicContact CD1-CD2 4.34Å; L102-L252 HydrophobicContact CD1-CG 4.47Å
103E86.9Confident76.3Confident107 Ų10778 Ų7850%0.541%0.408SS..Hα-helixtrans-59.9-43.4-178.9-71.4-174.413700112.1F99 D105 V106 A107F99-E103 HydrophobicContact CD1-CG 4.05Å; F99-E103 HydrophobicContact CE1-CG 3.67Å; F99-E103 WeakPolarHBondContact CE1-OE1 3.25Å; F99-E103 HydrophobicContact CE2-CG 4.46Å; F99-E103 HydrophobicContact CZ-CG 3.88Å; F99-E103 PolarHBondContact O-N 3.16Å; E103-D105 PolarHBondContact O-N 2.83Å; E103-V106 PolarHBondContact O-N 2.92Å; E103-A107 WeakPolarHBondContact O-CB 3.45Å; E103-A107 PolarHBondContact O-N 3.15Å
104K82.4Confident74.6Confident121 Ų12178.6 Ų78.653%0.52642%0.423SS..Hα-helixtrans-64-32.1174.7-69.9172.1-175.31730112.1E100 L102 V108E100-K104 HydrophobicContact CG-CD 4.49Å; E100-K104 VanDerWaalsContact O-CG 3.3Å; E100-K104 WeakPolarHBondContact O-CG 3.35Å; E100-K104 PolarHBondContact O-N 3.1Å; E100-K104 VanDerWaalsContact OE1-CE 3.3Å; E100-K104 WeakPolarHBondContact OE1-CE 3.27Å; E100-K104 IonicContact OE1-NZ 3.59Å; E100-K104 PolarHBondContact OE1-NZ 3.23Å; L102-K104 VanDerWaalsContact C-N 3.33Å; L102-K104 PolarHBondContact O-N 3.29Å; K104-V108 WeakPolarHBondContact O-CG2 3.5Å
105D77.6Confident72.8Confident27 Ų2784.5 Ų84.514%0.14445%0.45CS..Hα-helixtrans-71.5-48.7178.8-150.882.8000111.7F96 A101 L102 E103 A107 V108 R113F96-D105 HydrophobicContact CE1-CB 3.64Å; F96-D105 HydrophobicContact CE2-CB 4.45Å; F96-D105 HydrophobicContact CZ-CB 3.44Å; F96-D105 VanDerWaalsContact CZ-CB 3.44Å; F96-D105 VanDerWaalsContact CZ-CG 3.47Å; A101-D105 WeakPolarHBondContact O-CB 3.16Å; A101-D105 PolarHBondContact O-N 3.21Å; A101-D105 VanDerWaalsContact O-N 3.09Å; L102-D105 WeakPolarHBondContact O-CA 3.48Å; L102-D105 WeakPolarHBondContact O-CB 3.35Å; L102-D105 PolarHBondContact O-N 2.94Å; E103-D105 PolarHBondContact O-N 2.83Å; D105-A107 VanDerWaalsContact C-N 3.28Å; D105-A107 PolarHBondContact O-N 2.91Å; D105-V108 PolarHBondContact O-N 2.93Å; D105-V108 VanDerWaalsContact O-N 3.1Å; D105-R113 VanDerWaalsContact CG-NH1 3.26Å; D105-R113 PolarHBondContact O-NH1 2.83Å; D105-R113 IonicContact OD1-CZ 3.86Å; D105-R113 IonicContact OD1-NE 3.33Å; D105-R113 PolarHBondContact OD1-NE 2.87Å; D105-R113 IonicContact OD1-NH1 2.95Å; D105-R113 PolarHBondContact OD1-NH1 2.79Å; D105-R113 IonicContact OD1-NH2 3.39Å; D105-R113 PolarHBondContact OD1-NH2 2.92Å; D105-R113 IonicContact OD2-CZ 2.78Å; D105-R113 IonicContact OD2-NE 3.09Å; D105-R113 IonicContact OD2-NH1 2.75Å; D105-R113 PolarHBondContact OD2-NH1 2.85Å; D105-R113 VanDerWaalsContact OD2-NH1 3.09Å
106V77.8Confident70.9Confident89 Ų8991 Ų9154%0.53947%0.474SS..Hα-helixtrans-62.6-33.8178.2175.60000112.1L102 E103 V108 L252L102-V106 HydrophobicContact CD1-CG2 4.16Å; L102-V106 HydrophobicContact CG-CG2 4.4Å; L102-V106 WeakPolarHBondContact O-CG2 3.48Å; L102-V106 PolarHBondContact O-N 2.78Å; E103-V106 PolarHBondContact O-N 2.92Å; V106-V108 VanDerWaalsContact C-N 3.27Å; V106-V108 PolarHBondContact O-N 2.68Å; V106-L252 HydrophobicContact CG2-CD2 3.93Å
107A73.4Confident69.1Low83 Ų8399.7 Ų99.769%0.68651%0.507SS*.Hα-helixtrans-66.5-27.3176.500000113.4E103 D105E103-A107 WeakPolarHBondContact O-CB 3.45Å; E103-A107 PolarHBondContact O-N 3.15Å; D105-A107 VanDerWaalsContact C-N 3.28Å; D105-A107 PolarHBondContact O-N 2.91Å
108V63.6Low67.3Low53 Ų53103.5 Ų103.532%0.32152%0.52SS..SBendtrans-90.2124175.3175.50000107.9K104 D105 V106 E112 R113K104-V108 WeakPolarHBondContact O-CG2 3.5Å; D105-V108 PolarHBondContact O-N 2.93Å; D105-V108 VanDerWaalsContact O-N 3.1Å; V106-V108 VanDerWaalsContact C-N 3.27Å; V106-V108 PolarHBondContact O-N 2.68Å; V108-E112 HydrophobicContact CG1-CB 4.41Å; V108-R113 PolarHBondContact O-NH1 2.79Å
109K56.5Low65.3Low163 Ų163105.9 Ų105.971%0.70953%0.534SS*.  trans-50.9130.8-176.5-76.2-77.3159.7-178.40110.3Q111 E112K109-Q111 PolarHBondContact O-N 3.13Å; K109-E112 PolarHBondContact O-N 3.32Å
110P59.3Low63.7Low98 Ų98105.2 Ų105.264%0.63654%0.542SS*.G310 helixtrans-51.4-29.9-176.3-26.331.3000113.4E112 R113P110-E112 VanDerWaalsContact C-N 3.31Å; P110-E112 PolarHBondContact O-N 3.14Å; P110-R113 PolarHBondContact O-N 3.06Å
111Q53.2Low62.3Low170 Ų170108.7 Ų108.779%0.79456%0.563SS**G310 helixtrans-65-23.7-178.4-169.7172.7-20.400114.7K109K109-Q111 PolarHBondContact O-N 3.13Å
112E51.5Low60.5Low102 Ų102112.7 Ų112.748%0.47759%0.585SS.*G310 helixtrans-84.7-8.6-175.8-154.2-171.6138.900113.5V108 K109 P110 K116V108-E112 HydrophobicContact CG1-CB 4.41Å; K109-E112 PolarHBondContact O-N 3.32Å; P110-E112 VanDerWaalsContact C-N 3.31Å; P110-E112 PolarHBondContact O-N 3.14Å; E112-K116 IonicContact OE1-NZ 3.13Å
113R54Low58.9Low83 Ų83121.8 Ų121.831%0.31362%0.624SS.*SBendtrans-87.1-24.5-173.6-70.8-158.7161.274.612.4115D105 V108 P110 E115D105-R113 VanDerWaalsContact CG-NH1 3.26Å; D105-R113 PolarHBondContact O-NH1 2.83Å; D105-R113 IonicContact OD1-CZ 3.86Å; D105-R113 IonicContact OD1-NE 3.33Å; D105-R113 PolarHBondContact OD1-NE 2.87Å; D105-R113 IonicContact OD1-NH1 2.95Å; D105-R113 PolarHBondContact OD1-NH1 2.79Å; D105-R113 IonicContact OD1-NH2 3.39Å; D105-R113 PolarHBondContact OD1-NH2 2.92Å; D105-R113 IonicContact OD2-CZ 2.78Å; D105-R113 IonicContact OD2-NE 3.09Å; D105-R113 IonicContact OD2-NH1 2.75Å; D105-R113 PolarHBondContact OD2-NH1 2.85Å; D105-R113 VanDerWaalsContact OD2-NH1 3.09Å; V108-R113 PolarHBondContact O-NH1 2.79Å; P110-R113 PolarHBondContact O-N 3.06Å; R113-E115 VanDerWaalsContact C-N 3.29Å; R113-E115 PolarHBondContact O-N 3.35Å
114A53.8Low57.6Low76 Ų76126.2 Ų126.263%0.62864%0.641SS**G310 helixtrans-68.3-28.7179.100000112.9K116 R117A114-K116 VanDerWaalsContact C-N 3.3Å; A114-K116 PolarHBondContact O-N 2.78Å; A114-R117 PolarHBondContact O-N 3.06Å
115E52.2Low56.4Low141 Ų141128 Ų12866%0.65965%0.649SS**G310 helixtrans-72.9-21.2-174.1-62.5179.6-178.300113R113R113-E115 VanDerWaalsContact C-N 3.29Å; R113-E115 PolarHBondContact O-N 3.35Å
116K49.9Very low55.2Low165 Ų165138.5 Ų138.572%0.71769%0.687SS**G310 helixtrans-90.3-3.9-177.7-58.3-176.9-170.8177.60114.1E112 A114E112-K116 IonicContact OE1-NZ 3.13Å; A114-K116 VanDerWaalsContact C-N 3.3Å; A114-K116 PolarHBondContact O-N 2.78Å
117R51.5Low53.9Low185 Ų185141.1 Ų141.170%0.69869%0.693SS**G310 helixtrans-98.7-4.8177.4-63.4-118.6176.21761.3112.8A114 T119A114-R117 PolarHBondContact O-N 3.06Å; R117-T119 PolarHBondContact O-N 3.41Å
118Q46.6Very low52.7Low155 Ų155140.8 Ų140.872%0.72469%0.69SS**SBendtrans-76.699.6170.2-67.5-169.4-5.800110
119T41.7Very low52.2Low123 Ų123146 Ų14676%0.75572%0.716SS**  trans61.7120.5155.759.70000117.2R117R117-T119 PolarHBondContact O-N 3.41Å
120P51.8Low52Low108 Ų108143.6 Ų143.670%0.70172%0.715SS**  -144.296.292.229.8-10.3000112.1T122P120-T122 HydrophobicContact CB-CG2 4.24Å; P120-T122 PolarHBondContact O-N 3.35Å
121L54.3Low51Low181 Ų181146.4 Ų146.495%0.94872%0.724SS**  trans-70.158.5152.5-70.3175.6000109
122T47.7Very low50.5Low111 Ų111141.6 Ų141.668%0.68172%0.721SS**  trans-105.699.5170.957.40000107.8P120 K124P120-T122 HydrophobicContact CB-CG2 4.24Å; P120-T122 PolarHBondContact O-N 3.35Å; T122-K124 PolarHBondContact O-N 3.01Å; T122-K124 VanDerWaalsContact O-N 3.09Å
123K52.4Low50.6Low217 Ų217144.4 Ų144.494%0.94374%0.738SS**  trans-58.2107.4168.1-64174.4176.5174.40108.5
124K58.5Low49.9Very low199 Ų199145.7 Ų145.787%0.86576%0.76SS**  trans-147.8129.3161.3-157.2177.1175.5-176.80112.2T122T122-K124 PolarHBondContact O-N 3.01Å; T122-K124 VanDerWaalsContact O-N 3.09Å
125K57.1Low49.6Very low159 Ų159151.2 Ų151.269%0.69177%0.77SS**  trans-35.5127175.4-170.4-174.5-180-136.10113.8E127K125-E127 IonicContact NZ-OE1 3.98Å; K125-E127 IonicContact NZ-OE2 3.39Å; K125-E127 PolarHBondContact NZ-OE2 3.06Å; K125-E127 PolarHBondContact O-N 3.26Å
126R52.1Low49.5Very low248 Ų248152.3 Ų152.394%0.93678%0.775SS**  trans-67115.8169.9179178.7-177.1156.3-0.1108.9
127E50.1Low49.6Very low143 Ų143150.5 Ų150.567%0.66878%0.783SS**  trans-139.8122.6169.4-155.9141.5-161.700109.2K125K125-E127 IonicContact NZ-OE1 3.98Å; K125-E127 IonicContact NZ-OE2 3.39Å; K125-E127 PolarHBondContact NZ-OE2 3.06Å; K125-E127 PolarHBondContact O-N 3.26Å
128A48.2Very low49.9Very low76 Ų76151.1 Ų151.163%0.62879%0.791SS**  trans48106.7155.200000121.4
129L53.8Low49.9Very low164 Ų164153.6 Ų153.686%0.85980%0.799SS**  66141.9122.8-57.1171000121.1
130T51.3Low50.1Low112 Ų112152.6 Ų152.669%0.68780%0.797SS**  trans74.7102.2148.2178.40000120.8
131N38.3Very low49.7Very low156 Ų156158.9 Ų158.983%0.83481%0.807SS**  55119128.1-54.1-43.3000121
132G43.1Very low49.6Very low70 Ų70157.6 Ų157.672%0.72280%0.8SS**  trans104.4134.313900000117
133L53.8Low49.3Very low160 Ų160157.6 Ų157.684%0.83880%0.804SS**  trans98.3106.3156.8-46.8-177.7000117.9
134S38.9Very low49Very low111 Ų111156.5 Ų156.578%0.77680%0.802SS**  trans-79.4144.1166.557.30000111.9
135F49.1Very low48.3Very low192 Ų192150.8 Ų150.884%0.84279%0.788SS**  trans-120.4124.6168.5-78.8-84.6000112.7
136H48.5Very low47.9Very low164 Ų164151.6 Ų151.676%0.75979%0.793SS**  trans-65.7146.2166.2-94.3-82.3000111.2
137S53.3Low47.8Very low127 Ų127148.8 Ų148.889%0.88879%0.791SS**  trans-146.1121.4152.9-87.70000111.4
138K57.6Low47.7Very low197 Ų197151.9 Ų151.986%0.85780%0.798SS**  trans-96.3144.3179.5-69.9-177.4176.9176.90109.9
139K46.8Very low47.4Very low208 Ų208153.6 Ų153.690%0.90481%0.805SS**  trans-33129.3176.6-71.9162.9165.7175.50116.2
140S45.1Very low47.4Very low102 Ų102150.5 Ų150.571%0.71380%0.797SS**  trans-104.4122.9159.5-178.30000110L142S140-L142 PolarHBondContact O-N 2.82Å
141R43.7Very low47.7Very low240 Ų240152.1 Ų152.191%0.90680%0.802SS**  trans-83.798.6175.9-68.8174.5-73.6-141.1-3.1108.8
142L52.8Low48.9Very low154 Ų154154.9 Ų154.981%0.80680%0.8SS**  trans-114.6104.1166.7-71.4170.9000109.4S140 H144S140-L142 PolarHBondContact O-N 2.82Å; L142-H144 PolarHBondContact O-N 3.33Å
143S40.1Very low50Low110 Ų110160.1 Ų160.177%0.76981%0.806SS**  trans-53.1122.6157.956.50000109.6
144H46.8Very low50.4Low194 Ų194159.3 Ų159.390%0.89880%0.802SS**  trans-126.5107.2150.3-121.249.4000109.2L142L142-H144 PolarHBondContact O-N 3.33Å
145S44.4Very low51.5Low80 Ų80158.5 Ų158.556%0.55979%0.789SS**  trans-73.1151.6172.7-158.10000109.8
146H48.7Very low52.4Low175 Ų175159.9 Ų159.981%0.8179%0.789SS**  trans66.593.4161.2-52.8-62.2000118.1
147H50.2Low53Low190 Ų190157.4 Ų157.488%0.8878%0.781SS**  trans-134.4130.5134.4-157-86.3000110.9
148Y46.2Very low53.2Low208 Ų208158.1 Ų158.182%0.81678%0.775SS**  trans-50.7145.6-173.9-110.3-116.8000115.4
149S42.5Very low52.8Low111 Ų111154.8 Ų154.878%0.77677%0.774SS**  trans-20.4121.8153.2-172.80000115.4
150S53.5Low53.5Low99 Ų99151.8 Ų151.869%0.69276%0.764SS**  trans-144.853159174.70000109R152S150-R152 PolarHBondContact O-N 3.33Å
151D59.4Low53.7Low147 Ų147155.3 Ų155.379%0.78677%0.768SS**  trans-91.149.8174.8-156-2000110.4
152R63.1Low54.3Low213 Ų213151.6 Ų151.680%0.80477%0.766SS**  trans-1109.7-174-97.9-161.3174.7144.31.8115.1S150 N154S150-R152 PolarHBondContact O-N 3.33Å; R152-N154 VanDerWaalsContact C-N 3.31Å; R152-N154 PolarHBondContact O-N 3.19Å
153E65.1Low54.4Low181 Ų181147.8 Ų147.885%0.84676%0.763SS**THydrogen-bonded Turntrans-84.84.2-17544.9-175.99200115.1
154N63.7Low55.3Low142 Ų142152.6 Ų152.676%0.75977%0.771SS**THydrogen-bonded Turntrans-105.525174.3-162.47.8000114.2R152 R156R152-N154 VanDerWaalsContact C-N 3.31Å; R152-N154 PolarHBondContact O-N 3.19Å; N154-R156 PolarHBondContact O-N 3.37Å
155D61.3Low55.8Low94 Ų94153.7 Ų153.750%0.50377%0.767SS.*  trans-85.990.6176.9-140.5-28.6000110.6N157 L158D155-N157 PolarHBondContact O-N 3.34Å; D155-N157 WeakPolarHBondContact OD1-CB 3.43Å; D155-N157 PolarHBondContact OD1-ND2 2.94Å; D155-L158 PolarHBondContact O-N 3.33Å
156R67.4Low56.7Low221 Ų221160 Ų16083%0.83478%0.784SS**G310 helixtrans-60.30.6174-82.2-177.9175.9-171.5-1.1114N154N154-R156 PolarHBondContact O-N 3.37Å
157N60.8Low57.3Low112 Ų112159.5 Ų159.560%0.59978%0.779SS**G310 helixtrans-89.1-2.1-178.5-58.6-58.8000114.3D155 C159D155-N157 PolarHBondContact O-N 3.34Å; D155-N157 WeakPolarHBondContact OD1-CB 3.43Å; D155-N157 PolarHBondContact OD1-ND2 2.94Å; N157-C159 VanDerWaalsContact C-N 3.3Å; N157-C159 PolarHBondContact O-N 2.72Å
158L57.6Low57.9Low143 Ų143159.1 Ų159.175%0.74978%0.78SS**G310 helixtrans-76-12.6177.8-17054.5000114.2D155 Q160D155-L158 PolarHBondContact O-N 3.33Å; L158-Q160 VanDerWaalsContact C-N 3.32Å; L158-Q160 PolarHBondContact O-N 3.39Å
159C50.2Low58.5Low126 Ų126153.6 Ų153.685%0.85177%0.77SS**G310 helixtrans-80.61.6-176.7-77.70000115.7N157N157-C159 VanDerWaalsContact C-N 3.3Å; N157-C159 PolarHBondContact O-N 2.72Å
160Q60.3Low59Low146 Ų146157.6 Ų157.668%0.68277%0.773SS**G310 helixtrans-98.8-6.4-171.9-71-170.363.500116.1L158L158-Q160 VanDerWaalsContact C-N 3.32Å; L158-Q160 PolarHBondContact O-N 3.39Å
161H49.8Very low58.9Low175 Ų175156.8 Ų156.881%0.8178%0.781SS**SBendtrans-145.560.3-175.1-80.4-73.2000114.5
162L57.2Low58.6Low163 Ų163157.5 Ų157.585%0.85378%0.784SS**  trans-137.8126.8160.6-68.5174.5000110.3
163G53.3Low58.1Low73 Ų73158 Ų15875%0.75379%0.786SS**  trans-52.3166-167.900000115.8
164K59.8Low57.7Low212 Ų212156.2 Ų156.292%0.92278%0.777SS**  -149.8142.660.9-63.7-173.8-178174.60112.3
165R57.7Low57.3Low217 Ų217155.5 Ų155.582%0.81977%0.773SS**  trans-61.8135175.6-6216153.6-168.8-5.3111.7
166K62.5Low57.2Low212 Ų212159.9 Ų159.992%0.92279%0.787SS**  trans-141.5121.6142-167.8172.3177.7179.30108.8
167K62.4Low56.3Low164 Ų164155.6 Ų155.671%0.71379%0.788SS**  trans-83.7140-176.6-64.4-168.1172.6-173.90110.4
168M61.5Low56.2Low183 Ų183153.4 Ų153.490%0.90179%0.793SS**  trans-135.4113151.2-100.7-74.5-79.500106.9
169P58.6Low56.1Low91 Ų91155.1 Ų155.159%0.59180%0.797SS**  trans-102.7151.9-177.836.3-28.3000112.9
170K54.2Low56.5Low195 Ų195156.4 Ų156.485%0.84880%0.795SS**  trans70.9120.9146.3-93.592.9176.3-169.90119.7
171G50.9Low56Low83 Ų83154.1 Ų154.186%0.85680%0.795SS**  trans-16554.915700000111.8
172L53Low56.1Low162 Ų162151.5 Ų151.585%0.84880%0.795SS**  trans-78.6118.5169.6-93133.7000109.7
173R53.7Low56.2Low224 Ų224154 Ų15485%0.84579%0.793SS**  trans-157.6143.9147.2-62.9-168-176.9-92.20108.4
174Q55Low56.3Low142 Ų142156.8 Ų156.866%0.66479%0.791SS**  cis-173133.6-20.7-91-133.183.800105.2
175L55.7Low56.7Low128 Ų128152.7 Ų152.767%0.6779%0.789SS**  trans51.2133.1141.2-45.4176.7000119.2
176K59.6Low56.7Low185 Ų185149.9 Ų149.980%0.80479%0.79SS**  -165149.550.3-74.7-82179.2163.80111
177P49.5Very low56.5Low131 Ų131145.3 Ų145.385%0.85179%0.785SS**  trans-107.9147.2164.418.40.6000113.5
178G57.1Low56.2Low67 Ų67145.1 Ų145.169%0.69179%0.787SS**  trans176.298.5168.100000110.3
179Q56.3Low55.9Low179 Ų179141.6 Ų141.684%0.83678%0.78SS**  71116.593.3-74.5-173.6-36.300115.1
180N58.2Low55.7Low152 Ų152141.5 Ų141.581%0.81379%0.787SS**  trans64.3155.1157.274.458.3000117.9
181S49.6Very low55.6Low98 Ų98138.1 Ų138.169%0.68579%0.788SS**  cis-169.9134.3-29.649.80000106.7
182C51.5Low55.9Low121 Ų121138 Ų13882%0.81879%0.786SS**  trans63.8154.1154.3-690000121.8
183R60.3Low55.8Low214 Ų214138.9 Ų138.981%0.80879%0.786SS**  trans97.491.7170.9-54.6-66.8173.8177.9-0113.7
184D56Low56.1Low133 Ų133133.6 Ų133.671%0.71178%0.783SS**  66.311285.9-76.1-42000112.2
185S66.9Low55.9Low125 Ų125136.1 Ų136.187%0.87479%0.792SS**  trans163107.3136.4-870000110.7
186D58.7Low55.7Low159 Ų159133.8 Ų133.885%0.8580%0.799SS**  trans-66.3146165.1-67.2-61.1000111.1
187S57.2Low55.3Low115 Ų115133.8 Ų133.880%0.80480%0.799SS**  trans-154.2133.2154.2-76.20000110.8
188E56.7Low55.7Low161 Ų161136.7 Ų136.775%0.75280%0.801SS**  trans-73.7168.3-169.253.9-110.54700117.9
189S55.2Low55.5Low108 Ų108144.8 Ų144.876%0.75581%0.811SS**  trans94.9115.2140.4-64.60000122
190A54.8Low55.4Low89 Ų89141.6 Ų141.674%0.73681%0.809SS**  94.8124.9116.300000121.9
191S52.6Low54.7Low124 Ų124140.2 Ų140.287%0.86781%0.81SS**  trans83.8130.4137.376.40000119.2
192G57Low54.9Low80 Ų80141 Ų14183%0.82582%0.816SS**  trans167.752.1175.700000114.1
193E50.6Low54.9Low182 Ų182146.1 Ų146.185%0.8582%0.818SS**  trans-74.7140.7167.752.9-176.19400111.4
194S60.4Low54.9Low112 Ų112145.2 Ų145.278%0.78382%0.823SS**  162.9120.5129.250.40000115.5
195K50.8Low54.8Low196 Ų196149.1 Ų149.185%0.85283%0.828SS**  trans23.1129.2138.3-69.4168.7176.7167.70121.5
196G50.7Low54.2Low78 Ų78149.7 Ų149.780%0.80482%0.82SS**  trans-159.9114.8151.400000112
197F51.1Low54Low185 Ų185147.6 Ų147.681%0.81182%0.818SS**  trans-72154.9-174-69.7-102.7000113.8
198Q57.4Low53.7Low193 Ų193149.4 Ų149.490%0.90282%0.819SS**  -174.6127.1123.7-80.7-133.14.100111.1
199R54.4Low53.3Low237 Ų237146.7 Ų146.789%0.89482%0.817SS**  trans-105137.3174.1-65.7171.172.3-161.93.8109
200S52.6Low53.1Low112 Ų112147.5 Ų147.578%0.78382%0.823SS**  trans-170.7103.9154.9-73.90000107.5
201S44.8Very low53.2Low122 Ų122147.8 Ų147.885%0.85383%0.826SS**  54.5107.289-178.50000112.9
202S52.5Low53.5Low114 Ų114148.1 Ų148.180%0.79783%0.825SS**  -156.3155.382.553.80000114.6
203R53.3Low53.3Low230 Ų230150.6 Ų150.687%0.86883%0.829SS**  trans-61.8154.1171.9-64.4161.6159.7-166.5-6110
204E58.4Low53.5Low195 Ų195146.8 Ų146.891%0.91182%0.823SS**  -174.2163.277.9-81.9176.3165.300111.8
205R55.1Low53.2Low214 Ų214149.4 Ų149.481%0.80883%0.828SS**  trans-111.8140.6-162.6-98.1-175.179.8179.75.4111.3
206L54Low53.4Low138 Ų138143.8 Ų143.872%0.72383%0.825SS**  trans81.8154.2146.2-57.2163.6000119.7
207S55Low53.7Low115 Ų115146.6 Ų146.680%0.80483%0.827SS**  trans96.6131.9178.1-54.10000113.6
208D51Low54.2Low152 Ų152140.8 Ų140.881%0.81382%0.819SS**  cis-161.6167.414.8-141.6-23.9000112.7
209S47.2Very low54.8Low104 Ų104142.6 Ų142.673%0.72782%0.819SS**  trans-88.1161.2-170.4-54.60000115.1
210S51.6Low54.9Low125 Ų125140.1 Ų140.187%0.87482%0.815SS**  trans175.8136.414228.80000110
211A56.8Low55.5Low96 Ų96141 Ų14179%0.79382%0.82SS**  cis-167.8156.2-5.900000107.5
212P59.2Low56.2Low131 Ų131142.6 Ų142.685%0.85182%0.819SS**  trans-117.9135.4155.633.7-23.3000112.5
213S52.8Low56.7Low131 Ų131142.5 Ų142.592%0.91682%0.818SS**  trans-53.2148.4-177.9-70.20000115.3
214S54.2Low56.8Low103 Ų103138.8 Ų138.872%0.7282%0.815SS**  trans-74.4169.6178.663.20000113.7
215L55.2Low56.9Low167 Ų167135.4 Ų135.487%0.87481%0.813SS**  trans103.261.9165.7-54163.9000115.7
216G53.8Low57.2Low77 Ų77131.9 Ų131.979%0.79481%0.811SS**  trans-118.993.8160.600000110.8
217T56.7Low57.4Low137 Ų137133.3 Ų133.384%0.8481%0.814SS**  trans-130.388.8166.251.40000108
218G63.4Low57.7Low63 Ų63135.5 Ų135.565%0.64981%0.811SS**  trans-106.6137.717100000110.1
219Y68.1Low58.1Low231 Ų231137.6 Ų137.691%0.90682%0.816SS**  trans-58.4147-170-61.2-96.6000114.8
220F57Low58.6Low185 Ų185141.2 Ų141.281%0.81182%0.819SS**  trans-96.5123.6165.6-67-92000108.5
221C65.9Low58.4Low132 Ų132141.9 Ų141.989%0.89282%0.817SS**  trans-108.5107.2161.8-81.10000108.2
222D59.3Low58.2Low155 Ų155147.4 Ų147.483%0.82982%0.818SS**  trans-70.5132.8161.6-107-33.2000108.8
223S63Low57.5Low111 Ų111152.8 Ų152.878%0.77682%0.821SS**  159.491127.7-69.10000110.5
224D54.6Low57.5Low152 Ų152154.4 Ų154.481%0.81381%0.814SS**  trans-57.7129.4148.2-93.6-92.5000108.9
225S61.9Low57.8Low124 Ų124154.6 Ų154.687%0.86781%0.812SS**  trans-144.489.2156-81.60000107.5
226D61.1Low57.8Low141 Ų141154.6 Ų154.675%0.75481%0.812SS**  trans-105.893.6179.5-170.48.9000106.8
227Q57.5Low57.7Low167 Ų167158.7 Ų158.778%0.7881%0.81SS**  trans-147116.3160.7-62.5-1677.200110.3
228E62.2Low57.5Low162 Ų162157.2 Ų157.276%0.75781%0.805SS**  trans70.4115.1141.873.1-164.288.900122.2K230E228-K230 PolarHBondContact O-N 3.11Å; E228-K230 VanDerWaalsContact O-N 3.15Å
229E58.4Low56.7Low196 Ų196163.6 Ų163.692%0.91682%0.815SS**  trans-40.5103154.1-177.3-170.114500113.2
230K57.1Low56Low179 Ų179161 Ų16178%0.77881%0.811SS**  trans-154.9112.8146.4-144.6161.6-173.2166.10112.5E228 R232E228-K230 PolarHBondContact O-N 3.11Å; E228-K230 VanDerWaalsContact O-N 3.15Å; K230-R232 PolarHBondContact O-N 3.48Å
231V48.1Very low55.6Low140 Ų140157.9 Ų157.985%0.84880%0.802SS**  trans-41.796.2163.9179.20000111.2
232R53.8Low54.9Low212 Ų212157.5 Ų157.580%0.880%0.798SS**  trans-148.8112.7153.8-68.9-162.7175.2167.8-2.1110K230 H234K230-R232 PolarHBondContact O-N 3.48Å; R232-H234 PolarHBondContact O-N 2.99Å
233R43.7Very low54.3Low244 Ų244158.7 Ų158.792%0.92180%0.798SS**  trans-58.2115.6169.4-56.2-164.8-169-177.94.9109.1
234H51.8Low53.5Low165 Ų165156.1 Ų156.176%0.76479%0.789SS**  trans-143.7114.5159.2-93.7-83.1000108R232 L236R232-H234 PolarHBondContact O-N 2.99Å; H234-L236 PolarHBondContact O-N 3.15Å
235P62.1Low53.5Low106 Ų106154.9 Ų154.969%0.68879%0.793SS**  trans-62.9122.9168.126.1-29000107H237P235-H237 PolarHBondContact O-N 3.02Å
236L53.7Low53.3Low167 Ų167151.9 Ų151.987%0.87478%0.782SS**  trans-6092.1169.5-70.8171000107.8H234 C238H234-L236 PolarHBondContact O-N 3.15Å; L236-C238 PolarHBondContact O-N 2.85Å
237H51.8Low53.6Low163 Ų163150.7 Ų150.776%0.75578%0.783SS**  trans-67.686.7162.1-98.4-129.1000107P235 K239P235-H237 PolarHBondContact O-N 3.02Å; H237-K239 VanDerWaalsContact C-N 3.26Å; H237-K239 PolarHBondContact O-N 3.21Å
238C52.5Low54.3Low106 Ų106148.1 Ų148.172%0.71678%0.779SS**  trans-60.299.1154.1-76.40000106.6L236 H240L236-C238 PolarHBondContact O-N 2.85Å; C238-H240 PolarHBondContact O-N 2.71Å
239K48.2Very low55.2Low198 Ų198144.3 Ų144.386%0.86177%0.767SS**  trans-66.476.3167.3-69.3-166.8175.7-175.80108.4H237H237-K239 VanDerWaalsContact C-N 3.26Å; H237-K239 PolarHBondContact O-N 3.21Å
240H53.2Low56.5Low177 Ų177136.6 Ų136.682%0.81973%0.733SS**  trans-78.4122.2163.3-108.176.5000108C238C238-H240 PolarHBondContact O-N 2.71Å
241N47.4Very low58Low118 Ų118131.8 Ų131.863%0.63172%0.721SS**  trans-41.5125.4175.5-178.5-0.5000112.2Q243N241-Q243 PolarHBondContact O-N 3.24Å; N241-Q243 VanDerWaalsContact O-N 3.13Å; N241-Q243 PolarHBondContact OD1-N 3.25Å
242P52.3Low59.9Low125 Ų125127.7 Ų127.781%0.81269%0.694SS**THydrogen-bonded Turntrans-78.911.6-17533.7-35000114
243Q46.8Very low61.7Low179 Ų179122.5 Ų122.584%0.83668%0.682SS**THydrogen-bonded Turntrans-102.926.2-177.1-66.2-169.644.500114.7N241N241-Q243 PolarHBondContact O-N 3.24Å; N241-Q243 VanDerWaalsContact O-N 3.13Å; N241-Q243 PolarHBondContact OD1-N 3.25Å
244G45.4Very low63.9Low57 Ų57113.6 Ų113.659%0.58865%0.654SS**SBendtrans-109.5130.6161.300000108.3G246G244-G246 PolarHBondContact O-N 2.83Å
245S53.9Low65.6Low126 Ų126110.2 Ų110.288%0.88165%0.647SS**  trans-64.874.3168.460.20000109.3C247S245-C247 PolarHBondContact O-N 2.86Å
246G58.4Low66.7Low62 Ų62107.4 Ų107.464%0.63963%0.628SS**  trans-73.3111.5175.200000107.9G244 T248G244-G246 PolarHBondContact O-N 2.83Å; G246-T248 PolarHBondContact O-N 3.17Å
247C66.9Low67.9Low116 Ų116105.4 Ų105.478%0.78462%0.624SS**  trans-63.7104.3164.7-60.60000107.4S245 V249S245-C247 PolarHBondContact O-N 2.86Å; C247-V249 PolarHBondContact O-N 3Å
248T72.2Confident68.6Low113 Ų113107.8 Ų107.869%0.69364%0.642SS**  trans-72.8116.2169.645.70000107.7G246G246-T248 PolarHBondContact O-N 3.17Å
249V82.3Confident69.4Low82 Ų82107.9 Ų107.950%0.49764%0.638SS.*  trans-105.3127.4172-178.90000107F96 C247F96-V249 CarbonylContact O-C 3.51Å; F96-V249 WeakPolarHBondContact O-CA 3.4Å; C247-V249 PolarHBondContact O-N 3Å
250T84.8Confident70.6Confident34 Ų34103.2 Ų103.221%0.20963%0.626CS.*EExtended strand (participates in β ladder)trans-97.7133.5175.953.70000108.8S95 F96S95-T250 CarbonylContact C-O 3.49Å; S95-T250 WeakPolarHBondContact CA-O 3.46Å; F96-T250 WeakPolarHBondContact CB-OG1 3.29Å; F96-T250 PolarHBondContact N-O 3.25Å; F96-T250 PolarHBondContact O-N 2.82Å; F96-T250 PolarHBondContact O-OG1 3.43Å
251C88.8Confident71.5Confident77 Ų7799.1 Ų99.152%0.5262%0.616SS.*EExtended strand (participates in β ladder)trans-121.8141.7-178.2-61.50000111.2T94T94-C251 CarbonylContact O-C 3.52Å; T94-C251 WeakPolarHBondContact O-CA 3.4Å
252L88.9Confident73Confident55 Ų5597.9 Ų97.929%0.28862%0.615SS.*EExtended strand (participates in β ladder)trans-114.6129.2173.6-176.364.9000109.4M93 T94 F96 L102 V106 V254M93-L252 CarbonylContact C-O 3.56Å; M93-L252 WeakPolarHBondContact CA-O 3.12Å; T94-L252 PolarHBondContact N-O 2.86Å; T94-L252 PolarHBondContact O-N 3.35Å; F96-L252 HydrophobicContact CE2-CB 4.4Å; L102-L252 HydrophobicContact CD1-CB 3.8Å; L102-L252 HydrophobicContact CD1-CD2 4.34Å; L102-L252 HydrophobicContact CD1-CG 4.47Å; V106-L252 HydrophobicContact CG2-CD2 3.93Å; L252-V254 HydrophobicContact CD2-CG2 4.27Å; L252-V254 HydrophobicContact CG-CG2 4.12Å
253L90.9Very high74.2Confident103 Ų10396.3 Ų96.354%0.53960%0.603SS.*EExtended strand (participates in β ladder)trans-112.8125.3178.4-165.967.7000110.1F91 A92 M93F91-L253 HydrophobicContact CB-CD1 3.5Å; F91-L253 HydrophobicContact CB-CD2 4.35Å; F91-L253 HydrophobicContact CB-CG 3.86Å; F91-L253 HydrophobicContact CD1-CD2 4.2Å; F91-L253 HydrophobicContact CD1-CG 4.06Å; F91-L253 HydrophobicContact CG-CD1 4.32Å; F91-L253 HydrophobicContact CG-CD2 4.3Å; F91-L253 HydrophobicContact CG-CG 4.21Å; A92-L253 CarbonylContact O-C 3.55Å; A92-L253 WeakPolarHBondContact O-CA 3.38Å; M93-L253 HydrophobicContact CB-CD1 3.76Å; M93-L253 HydrophobicContact CG-CD1 4.33Å
254V89.6Confident76.1Confident56 Ų5690.7 Ų90.734%0.33959%0.587SS.*EExtended strand (participates in β ladder)trans-126.7128.8-177.3-176.30000109.6F91 A92 L252F91-V254 CarbonylContact C-O 3.49Å; F91-V254 VanDerWaalsContact CA-O 3.3Å; F91-V254 WeakPolarHBondContact CA-O 3.4Å; A92-V254 PolarHBondContact N-O 3.49Å; A92-V254 PolarHBondContact O-N 3.24Å; L252-V254 HydrophobicContact CD2-CG2 4.27Å; L252-V254 HydrophobicContact CG-CG2 4.12Å
255P88.3Confident78.3Confident94 Ų9493.1 Ų93.161%0.6159%0.587SS**EExtended strand (participates in β ladder)trans-66.7134.3174.327.4-32.9000110.8F91F91-P255 HydrophobicContact CD1-CB 4.08Å; F91-P255 HydrophobicContact CE1-CB 3.97Å
256V84.6Confident80.1Confident48 Ų4890.6 Ų90.629%0.29156%0.564SS.*  trans-108.2121.2178-179.20000108.3G90 A92 L258G90-V256 PolarHBondContact O-N 3.27Å; A92-V256 HydrophobicContact CB-CG2 3.67Å; V256-L258 PolarHBondContact O-N 3.3Å
257P78.6Confident82Confident124 Ų12493 Ų9381%0.80556%0.558SS**  trans-67.2122.2168.628.2-30.9000108.9
258L67.7Low83.3Confident214 Ų21490.9 Ų90.9100%1.1254%0.538SS*.  trans-88.40170.6-69.7175.6000111.2V256V256-L258 PolarHBondContact O-N 3.3Å

Retrieved 258 of 258 residues in 267 ms (Link to these results)