A0A096NRI4_PAPAN Loading...

Coiled-coil domain containing 117

AlphaFold DB , UniProt , Accession A0A096NRI4, Species PAPAN (Papio anubis, Olive baboon), Gene CCDC117, Length 279 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
1M41.8Very low51.5Low250 Ų250151.1 Ų151.1100%1.23288%0.875SS**  0136.40-76-160157.800108.4
2A47.1Very low51.5Low99 Ų99148.7 Ų148.782%0.81887%0.869SS**PPolyproline II helixtrans-69.8143.6-155.800000115.1
3T53.5Low51.4Low143 Ų143150.9 Ų150.988%0.87787%0.873SS**PPolyproline II helixtrans-75.8122165.940.90000109.4G5T3-G5 PolarHBondContact O-N 3.44Å
4L56.1Low50.7Low178 Ų178148.4 Ų148.493%0.93287%0.868SS**PPolyproline II helixtrans-69.6116.7-179.5-71.3164.3000110.4
5G52.3Low50.1Low72 Ų72143.4 Ų143.474%0.74286%0.861SS**PPolyproline II helixtrans-70.4135.9169.300000111.3T3T3-G5 PolarHBondContact O-N 3.44Å
6R64.1Low49.5Very low233 Ų233141 Ų14188%0.87985%0.853SS**PPolyproline II helixtrans-67.8135.3169.2-72.6177.9171.1-126.7-0.2109.7
7P58.1Low49.2Very low120 Ų120139.3 Ų139.378%0.77985%0.849SS**PPolyproline II helixtrans-75127168.629.2-30.5000109.9S9P7-S9 PolarHBondContact O-N 3.41Å
8F45.1Very low49Very low213 Ų213140.8 Ų140.893%0.93485%0.852SS**PPolyproline II helixtrans-65128.3167.2-84.8-91.4000109.4
9S55.9Low48.9Very low115 Ų115143.4 Ų143.480%0.80485%0.851SS**PPolyproline II helixtrans-71.2129174.7-43.90000109.7P7P7-S9 PolarHBondContact O-N 3.41Å
10G42Very low49.1Very low75 Ų75143.7 Ų143.777%0.77385%0.847SS**PPolyproline II helixtrans-62146.2178.800000113.2
11L50.9Low49.2Very low164 Ų164145.8 Ų145.886%0.85985%0.849SS**PPolyproline II helixtrans-83.7138.3167.8-66.8169.5000109L13L11-L13 PolarHBondContact O-N 3.36Å
12P51.6Low49.7Very low122 Ų122139.2 Ų139.279%0.79283%0.825SS**PPolyproline II helixtrans-73.9126.9175.428.7-31.4000110.6S14P12-S14 PolarHBondContact O-N 3.34Å
13L49Very low50.5Low178 Ų178139.8 Ų139.893%0.93282%0.82SS**  trans-68.3108.8161.9-64.8168.6000107.6L11L11-L13 PolarHBondContact O-N 3.36Å
14S42.1Very low50.4Low115 Ų115139 Ų13980%0.80482%0.817SS**  trans-101.9107165-167.50000108.5P12P12-S14 PolarHBondContact O-N 3.34Å
15G41.5Very low50.2Low74 Ų74139.1 Ų139.176%0.76381%0.813SS**  trans-101.9126.8165.900000110.4
16S41Very low50.1Low105 Ų105140.8 Ų140.873%0.73481%0.811SS**  trans-175.6110.1149.841.30000104.9
17S44.4Very low48.9Very low112 Ų112134.4 Ų134.478%0.78381%0.808SS**  48.383.285.7-172.50000112.6
18D44.6Very low48.2Very low167 Ų167137.9 Ų137.989%0.89381%0.811SS**  trans-140.9111.2137.1-100.4-40.6000109.1
19F47Very low48.4Very low189 Ų189133.7 Ų133.783%0.82981%0.805SS**  trans-79.9140.1173-140-108.9000106.9
20L53.6Low47.5Very low149 Ų149132 Ų13278%0.7881%0.806SS**  trans82.482.7167.1-46179.2000118.2
21Q50.8Low47.4Very low188 Ų188139.2 Ų139.288%0.87981%0.81SS**  trans-149.8118.4143.1-159.1158-49.400111.5
22P53.7Low46.8Very low112 Ų112136.1 Ų136.173%0.72781%0.808SS**PPolyproline II helixtrans-75.4147.6170.329.7-30.3000110.6
23P62.6Low46.5Very low112 Ų112139.1 Ų139.173%0.72781%0.809SS**PPolyproline II helixtrans-69.4147.3177.728.1-33.1000111.4Q25P23-Q25 PolarHBondContact O-N 3.09Å
24P52.2Low47Very low126 Ų126136.1 Ų136.182%0.81880%0.8SS**PPolyproline II helixtrans-69.4128178.627.9-31.7000110.8
25Q51.5Low47.2Very low180 Ų180137.2 Ų137.284%0.84181%0.805SS**PPolyproline II helixtrans-67.2136.2172.7-63.5-97.9-38.800110P23 A27P23-Q25 PolarHBondContact O-N 3.09Å; Q25-A27 PolarHBondContact O-N 3.27Å
26P49.9Very low46.9Very low108 Ų108137.3 Ų137.370%0.70181%0.805SS**PPolyproline II helixtrans-73.2119.2170.327.5-29.1000109.9F28P26-F28 PolarHBondContact O-N 3.46Å
27A39.4Very low46.6Very low98 Ų98137 Ų13781%0.8181%0.809SS**PPolyproline II helixtrans-64.3121.5174.600000111Q25Q25-A27 PolarHBondContact O-N 3.27Å
28F44.3Very low46.4Very low194 Ų194139.8 Ų139.885%0.85182%0.815SS**PPolyproline II helixtrans-74.7127.3165.4-69.2-85.8000109.3P26 G30P26-F28 PolarHBondContact O-N 3.46Å; F28-G30 PolarHBondContact O-N 3.28Å
29P47.5Very low45.9Very low125 Ų125135.3 Ų135.381%0.81281%0.808SS**PPolyproline II helixtrans-76.8125.117330.5-29.3000108.9
30G37Very low45.4Very low80 Ų80131.1 Ų131.183%0.82581%0.809SS**PPolyproline II helixtrans-58.6143.1-179.900000113.4F28F28-G30 PolarHBondContact O-N 3.28Å
31R41.3Very low44.9Very low225 Ų225131.2 Ų131.285%0.84981%0.81SS**  trans-124.9109157.8-141.7177.7-158.4-100.62.6107.3
32A37.3Very low44.5Very low99 Ų99129.7 Ų129.782%0.81881%0.807SS**PPolyproline II helixtrans-63.4131.317200000109.6
33F45.1Very low43.9Very low186 Ų186128.6 Ų128.682%0.81681%0.808SS**PPolyproline II helixtrans-98.3137165-71.5-84.1000108.7
34P60Low43.1Very low115 Ų115128.6 Ų128.675%0.74781%0.807SS**PPolyproline II helixtrans-79.1148.8169.333.2-31.5000110.3
35P46.9Very low42.6Very low138 Ų138133.8 Ų133.890%0.89681%0.811SS**PPolyproline II helixtrans-88.4134.4168.834-27.4000109.8
36G34.3Very low41.8Very low75 Ų75130.6 Ų130.677%0.77381%0.808SS**  trans-176.1101.2175.200000115.4
37A35.9Very low41.1Very low98 Ų98128.9 Ų128.981%0.8181%0.811SS**  trans62.2119.3142.100000121.9
38D39.4Very low41.4Very low171 Ų171130.7 Ų130.791%0.91481%0.814SS**  trans17.8134137.9-72.8-41.2000121.2
39G34.8Very low41.4Very low73 Ų73133.3 Ų133.375%0.75382%0.818SS**  trans128.1129.9131.400000117.3
40A36.8Very low40.8Very low101 Ų101131.6 Ų131.684%0.83582%0.815SS**  trans79.795.4156.500000118.8
41D42.9Very low41.3Very low152 Ų152134.3 Ų134.381%0.81382%0.815SS**  21.5153.5111.3-139.8-12.2000120
42L42.5Very low41.8Very low155 Ų155129 Ų12981%0.81281%0.81SS**  trans100.289.6171.7-49.5-179.5000117.4
43A39.9Very low42.1Very low90 Ų90129.9 Ų129.974%0.74481%0.81SS**  trans-82.9155.7136.800000107.8
44P47.3Very low42.2Very low111 Ų111126.3 Ų126.372%0.72181%0.808SS**  -158.7173.459.444.6-23.1000118.7
45R41.1Very low41.8Very low236 Ų236126.8 Ų126.889%0.89181%0.811SS**  trans74.6151.3156.4-59.8-160.8168.2-158.7-6118.2
46S35.3Very low41.7Very low112 Ų112125.3 Ų125.378%0.78381%0.811SS**  cis-180141.9-16.247.60000107
47G34.9Very low41.9Very low73 Ų73125.5 Ų125.575%0.75381%0.812SS**  trans170.5139.2166.700000115.7
48P45.9Very low42.3Very low136 Ų136126.7 Ų126.788%0.88382%0.815SS**  trans-93.1147.9-157.336.7-33.3000113.5
49R42.8Very low42.3Very low248 Ų248123 Ų12394%0.93681%0.808SS**  trans-142.4114.9167.9-142.5177.1-166.4-148.62.4113.5
50A36.5Very low43.2Very low90 Ų90124.3 Ų124.374%0.74481%0.812SS**  trans52.8106.8143.100000119.7
51V45.5Very low43.9Very low136 Ų136131.1 Ų131.182%0.82482%0.816SS**  trans-68133.7153.9176.20000109.5
52P53.6Low44Very low115 Ų115127.5 Ų127.575%0.74781%0.814SS**  trans-91.5113.315831-25.8000110.2
53S42.4Very low44.6Very low116 Ų116131.9 Ų131.981%0.81182%0.82SS**  trans-70.5128.4162.150.70000110
54S47Very low45Very low112 Ų112133.7 Ų133.778%0.78382%0.821SS**  trans-118.9152.4169.9-73.50000110.7
55P52.1Low45.3Very low124 Ų124133.6 Ų133.681%0.80582%0.823SS**  trans-86.7152.9-152.833.8-34.8000114.1
56A45.8Very low45.7Very low108 Ų108127.6 Ų127.689%0.89381%0.813SS**  trans-60.7138.9165.600000111.7
57G37.3Very low46.6Very low78 Ų78128.7 Ų128.780%0.80481%0.805SS**  trans-167.693.4176.200000112.3
58S45.2Very low47.3Very low123 Ų123130.2 Ų130.286%0.8680%0.803SS**  trans-50143.9179.7-175.60000116.3
59A39.3Very low47.7Very low95 Ų95130.8 Ų130.879%0.78579%0.792SS**  trans-170.8127131.400000111.8
60A54Low48.9Very low99 Ų99127.5 Ų127.582%0.81878%0.784SS**  trans-54.6132.1178.200000113.7
61R51.4Low50.4Low245 Ų245131.2 Ų131.293%0.92578%0.784SS**  trans-127.8117.5151.6-75.5-171.1176.7-101.1-0.6108.2R63R61-R63 PolarHBondContact O-N 2.69Å
62G43.9Very low51.3Low75 Ų75132.5 Ų132.577%0.77378%0.78SS**  trans-56.1128.1-170.200000112.4V64G62-V64 PolarHBondContact O-N 3.28Å
63R56.3Low51.6Low247 Ų247135.3 Ų135.393%0.93278%0.781SS**  trans-72.9104159.1-63.9-176-164.1-100.42.6106.4R61 S65R61-R63 PolarHBondContact O-N 2.69Å; R63-S65 VanDerWaalsContact C-N 3.3Å; R63-S65 PolarHBondContact O-N 2.74Å
64V47.9Very low52Low128 Ų128141 Ų14178%0.77678%0.784SS**  trans-69.397.5163.1-175.40000105.9G62 V66G62-V64 PolarHBondContact O-N 3.28Å; V64-V66 HydrophobicContact CG1-CG2 3.96Å; V64-V66 PolarHBondContact O-N 2.93Å
65S53Low52.2Low109 Ų109142.9 Ų142.976%0.76278%0.781SS**  trans-76.297.7168.9-167.10000107.2R63 H67R63-S65 VanDerWaalsContact C-N 3.3Å; R63-S65 PolarHBondContact O-N 2.74Å; S65-H67 VanDerWaalsContact C-N 3.26Å; S65-H67 PolarHBondContact O-N 3.06Å
66V50.4Low52Low111 Ų111146 Ų14667%0.67378%0.784SS**  trans-79.484.2173.2-154.40000107.5V64 C68V64-V66 HydrophobicContact CG1-CG2 3.96Å; V64-V66 PolarHBondContact O-N 2.93Å; V66-C68 VanDerWaalsContact C-N 3.34Å; V66-C68 VanDerWaalsContact CG1-SG 3.58Å; V66-C68 PolarHBondContact O-N 2.82Å
67H53.9Low51.9Low135 Ų135149.7 Ų149.763%0.62578%0.784SS**  trans-70.794.6164.714631.8000107.5S65 K69S65-H67 VanDerWaalsContact C-N 3.26Å; S65-H67 PolarHBondContact O-N 3.06Å; H67-K69 VanDerWaalsContact CE1-CB 3.43Å; H67-K69 WeakPolarHBondContact CE1-CB 3.36Å; H67-K69 WeakPolarHBondContact CE1-CG 3.38Å; H67-K69 PolarHBondContact CE1-N 3.22Å; H67-K69 WeakPolarHBondContact ND1-CG 3.26Å; H67-K69 PolarHBondContact ND1-N 3.25Å; H67-K69 PolarHBondContact O-N 3.44Å
68C48.7Very low52.5Low105 Ų105152.9 Ų152.971%0.70978%0.782SS**  trans-92.984.7165.8-70.30000109V66 K70V66-C68 VanDerWaalsContact C-N 3.34Å; V66-C68 VanDerWaalsContact CG1-SG 3.58Å; V66-C68 PolarHBondContact O-N 2.82Å; C68-K70 VanDerWaalsContact C-N 3.35Å; C68-K70 PolarHBondContact O-N 2.81Å
69K54.1Low52.8Low148 Ų148154 Ų15464%0.64378%0.778SS**  trans-8589.1159.4-66.3174.9-177.9-170.30107.8H67 K71H67-K69 VanDerWaalsContact CE1-CB 3.43Å; H67-K69 WeakPolarHBondContact CE1-CB 3.36Å; H67-K69 WeakPolarHBondContact CE1-CG 3.38Å; H67-K69 PolarHBondContact CE1-N 3.22Å; H67-K69 WeakPolarHBondContact ND1-CG 3.26Å; H67-K69 PolarHBondContact ND1-N 3.25Å; H67-K69 PolarHBondContact O-N 3.44Å; K69-K71 PolarHBondContact O-N 3.26Å; K69-K71 VanDerWaalsContact O-N 3.12Å
70K68.2Low53.4Low179 Ų179156.2 Ų156.278%0.77878%0.777SS**  trans-70.799160.1-176.4170.2172.9175.80107.1C68C68-K70 VanDerWaalsContact C-N 3.35Å; C68-K70 PolarHBondContact O-N 2.81Å
71K68.5Low53.1Low168 Ų168155.7 Ų155.773%0.7377%0.767SS**  trans-76.7122168.5-58.5-65.4-173169.40106.9K69 K73K69-K71 PolarHBondContact O-N 3.26Å; K69-K71 VanDerWaalsContact O-N 3.12Å; K71-K73 PolarHBondContact O-N 3.48Å
72H64.6Low52.8Low162 Ų162149.7 Ų149.775%0.7576%0.759SS**  trans-69.2118.1167.9-70.8-176.2000107.8R74H72-R74 PolarHBondContact O-N 2.92Å
73K60.7Low53.3Low174 Ų174152.1 Ų152.176%0.75776%0.759SS**  trans-71.2108.9162.7-177.6175.2178.9-109.80105.4K71 E75K71-K73 PolarHBondContact O-N 3.48Å; K73-E75 PolarHBondContact O-N 3.29Å; K73-E75 VanDerWaalsContact O-N 3.13Å
74R49.7Very low53.5Low235 Ų235151.5 Ų151.589%0.88776%0.756SS**  trans-62.5108.7167.4-174.5177.5-169.3154.61.5105.9H72H72-R74 PolarHBondContact O-N 2.92Å
75E52.2Low53.9Low153 Ų153155.4 Ų155.472%0.71576%0.763SS**  trans-71125.8161.3-74.2-171136.800106.7K73 E77K73-E75 PolarHBondContact O-N 3.29Å; K73-E75 VanDerWaalsContact O-N 3.13Å; E75-E77 PolarHBondContact O-N 3.12Å
76E48Very low54.5Low188 Ų188159 Ų15988%0.87977%0.765SS**  trans-70.498.5167-173.8169.4-176.500105.2D78E76-D78 PolarHBondContact O-N 2.84Å
77E42.7Very low54.8Low187 Ų187165.1 Ų165.187%0.87478%0.776SS**  trans-69.1116.9165.1-85.2-176.5133.700107.2E75E75-E77 PolarHBondContact O-N 3.12Å
78D49Very low54.5Low145 Ų145166.5 Ų166.578%0.77579%0.786SS**  trans-53.3133.2170.9-169.144.9000110.2E76 D80E76-D78 PolarHBondContact O-N 2.84Å; D78-D80 PolarHBondContact O-N 3.17Å; D78-D80 VanDerWaalsContact O-N 3.07Å
79D53.2Low54.5Low145 Ų145167.6 Ų167.678%0.77579%0.79SS**  trans-72.492.5-177-162.7-79.7000109.4
80D50.4Low54Low143 Ų143169.8 Ų169.877%0.76580%0.802SS**  trans-121.484.1165.6-142.2-74.8000109.6D78 P82D78-D80 PolarHBondContact O-N 3.17Å; D78-D80 VanDerWaalsContact O-N 3.07Å; D80-P82 VanDerWaalsContact O-CD 3.28Å; D80-P82 WeakPolarHBondContact O-CD 3.3Å
81C47.7Very low52.9Low88 Ų88165.5 Ų165.560%0.59580%0.8SS**  trans-76.9115.3176.3-175.80000110.2V83C81-V83 PolarHBondContact O-N 3.13Å
82P46.2Very low51.3Low118 Ų118166.5 Ų166.577%0.76681%0.807SS**  trans-74.993169.929-31.1000109.5D80 R84D80-P82 VanDerWaalsContact O-CD 3.28Å; D80-P82 WeakPolarHBondContact O-CD 3.3Å; P82-R84 PolarHBondContact O-N 3.25Å
83V54.2Low50.7Low126 Ų126167 Ų16776%0.76482%0.815SS**  trans-61.688.2171.5175.10000110.1C81C81-V83 PolarHBondContact O-N 3.13Å
84R59.7Low49.6Very low235 Ų235165 Ų16589%0.88782%0.821SS**  trans-155.971.2158-59.9-168.674.7174.6-0.4112.8P82P82-R84 PolarHBondContact O-N 3.25Å
85K56.8Low49.3Very low210 Ų210158.1 Ų158.191%0.91382%0.815SS**  trans-102.2100.3163.3-145.6172.2172.2-179.40110.2
86K64.7Low49.1Very low185 Ų185153.3 Ų153.380%0.80481%0.806SS**  trans-60.8133.3168.552.6-173175.1176.90110.1I88K86-I88 PolarHBondContact O-N 3.14Å
87R57.6Low49.1Very low238 Ų238150.3 Ų150.390%0.89880%0.802SS**  trans-67.7122170.7-63.2-171.5-64.8-159.90.4108.6
88I48.6Very low49Very low165 Ų165148.2 Ų148.285%0.84680%0.797SS**  trans-94.6106.2159.632167.8000106.5K86K86-I88 PolarHBondContact O-N 3.14Å
89T47.2Very low49.2Very low127 Ų127147.8 Ų147.878%0.77980%0.795SS**  trans-68122.1163.9-55.90000107.2A91T89-A91 PolarHBondContact O-N 3.48Å
90E45.1Very low49.1Very low195 Ų195151.2 Ų151.291%0.91180%0.797SS**  trans-64.4119.3173-174.1179.6131.700109.3
91A44Very low49Very low88 Ų88151 Ų15173%0.72779%0.794SS**  trans-140.7120.9168.800000109.1T89T89-A91 PolarHBondContact O-N 3.48Å
92E36Very low48.7Very low189 Ų189154.6 Ų154.688%0.88381%0.807SS**  trans75.5104.7150.5-137.2166.4140.500118.6C94E92-C94 PolarHBondContact O-N 3.16Å
93L50.7Low48.4Very low173 Ų173155.4 Ų155.491%0.90681%0.814SS**  trans-63.4113.7170.3-67.4147.4000110.9
94C38.2Very low47.9Very low131 Ų131154 Ų15489%0.88582%0.816SS**  trans-98.8101.3156.7-89.70000108.3E92 G96E92-C94 PolarHBondContact O-N 3.16Å; C94-G96 PolarHBondContact O-N 2.98Å
95A44Very low46.7Very low92 Ų92151 Ų15176%0.7681%0.811SS**  trans-64.4116.6178.600000111.1
96G47Very low46.1Very low51 Ų51149.4 Ų149.453%0.52681%0.807SS.*  trans-104.2152.7167.900000110.2C94 N98C94-G96 PolarHBondContact O-N 2.98Å; G96-N98 PolarHBondContact O-N 3.12Å
97P48.5Very low44.6Very low125 Ų125147.3 Ų147.381%0.81281%0.805SS**SBendtrans-7187.9-158.628-34.3000112.6
98N39.5Very low43.8Very low143 Ų143140.6 Ų140.677%0.76579%0.79SS**  trans-158.356.8159.1-82-55.3000109.7G96 W100G96-N98 PolarHBondContact O-N 3.12Å; N98-W100 VanDerWaalsContact C-N 3.27Å; N98-W100 PolarHBondContact O-N 3.44Å
99D54.7Low43.3Very low137 Ų137141.6 Ų141.673%0.73379%0.791SS**  trans-7676.8166-67.5-39.3000109.5I101D99-I101 VanDerWaalsContact C-N 3.3Å; D99-I101 WeakPolarHBondContact O-CG1 3.37Å; D99-I101 PolarHBondContact O-N 2.86Å
100W50.5Low42.9Very low217 Ų217138.7 Ų138.782%0.82279%0.787SS**  trans-96.869.8160.871.7-76.1000109.1N98N98-W100 VanDerWaalsContact C-N 3.27Å; N98-W100 PolarHBondContact O-N 3.44Å
101I47.5Very low42.3Very low137 Ų137138.8 Ų138.870%0.70379%0.787SS**  49.582125.9-53.7157.1000113.6D99D99-I101 VanDerWaalsContact C-N 3.3Å; D99-I101 WeakPolarHBondContact O-CG1 3.37Å; D99-I101 PolarHBondContact O-N 2.86Å
102L42.5Very low41.8Very low164 Ų164137.2 Ų137.286%0.85978%0.779SS**  52.487.698.9-64.7171.6000114.8
103C39.8Very low41.9Very low136 Ų136134.8 Ų134.892%0.91978%0.777SS**  trans-82.4110.3149.2-74.80000108.2
104A43.2Very low41.5Very low96 Ų96133.5 Ų133.579%0.79377%0.771SS**  trans-65.8127.1175.900000111.6
105H35.7Very low42.1Very low172 Ų172131.9 Ų131.980%0.79676%0.758SS**  trans-138.187.4141-164.8-81.8000108.1
106Q42.4Very low42Very low177 Ų177133.2 Ų133.283%0.82776%0.761SS**  trans-79.2118.6167.6-169.3170.986.800106.1
107D33.1Very low41.5Very low141 Ų141138.8 Ų138.875%0.75478%0.777SS**  trans-133.6134.9150.5-156.516.8000109.9
108V41.9Very low41.3Very low96 Ų96138.9 Ų138.958%0.58278%0.781SS**  trans-83.2139.8-168.8170.30000107.5
109E38.2Very low41.3Very low186 Ų186135.6 Ų135.687%0.86978%0.78SS**  144.6132.3110.4-153.5133.3179.800104.6
110G38.3Very low41.2Very low67 Ų67137.7 Ų137.769%0.69179%0.79SS**  cis126.961.413.800000111.7
111H32.2Very low40.6Very low197 Ų197133.1 Ų133.191%0.91279%0.792SS**  trans-175.2139.7161.3-13833.6000110.6
112G33.4Very low40.5Very low54 Ų54133 Ų13356%0.55780%0.797SS**  cis155.9127.46.700000108.1
113V39Very low40.9Very low139 Ų139130.8 Ų130.884%0.84279%0.793SS**  trans43.6112.1154.1-80.70000120.4
114N42.4Very low40.9Very low146 Ų146127.7 Ų127.778%0.78178%0.784SS**  125.9-176.175.2-155.2-9.4000109.5
115P50Low41.5Very low96 Ų96131.8 Ų131.862%0.62379%0.79SS**  -103.6167.2-105.234.3-18.6000117.1
116C41.4Very low42.3Very low121 Ų121131 Ų13182%0.81879%0.791SS**  trans15.8119.9146-52.90000119.5
117I37.1Very low42.6Very low168 Ų168129.1 Ų129.186%0.86279%0.787SS**  trans-134.1106.1143.8-63.1-178.7000108.7
118S44.2Very low43.6Very low127 Ų127128.8 Ų128.889%0.88879%0.79SS**  trans-72.1127.3157.4-68.10000108.6
119G40Very low43.6Very low73 Ų73130 Ų13075%0.75379%0.792SS**  trans-15896.317200000110.5
120L53.2Low44.3Very low181 Ų181127.1 Ų127.195%0.94879%0.79SS**  trans-67.4126.8173.4-64.3165.8000110
121S37.7Very low44.8Very low121 Ų121131.4 Ų131.485%0.84679%0.792SS**  trans-164.4114.2144.9-151.60000111.9
122V44.9Very low45.8Very low134 Ų134130.4 Ų130.481%0.81279%0.788SS**  trans-134.8148.6162.1169.20000103.4
123P51.3Low46.7Very low119 Ų119135.5 Ų135.577%0.77380%0.8SS**  cis-134.8152.19.120.63.7000114.9
124G39.4Very low47.8Very low71 Ų71135 Ų13573%0.73279%0.792SS**  trans-137.8110.316300000110.3L126G124-L126 PolarHBondContact O-N 2.91Å
125I56.6Low48.2Very low181 Ų181136.3 Ų136.393%0.92879%0.793SS**  trans-54.499.2169.2-73.9139.8000108.6
126L52.4Low48.1Very low155 Ų155136.9 Ų136.981%0.81280%0.795SS**  trans-125.2127.1164-164.171.3000107G124 V128G124-L126 PolarHBondContact O-N 2.91Å; L126-V128 PolarHBondContact O-N 2.67Å
127D47.3Very low48.7Very low139 Ų139138.3 Ų138.374%0.74380%0.8SS**  trans-29.9118.2175.3-78.8-47.8000112.3I129D127-I129 HydrophobicContact CB-CG1 4.4Å; D127-I129 PolarHBondContact O-N 2.91Å
128V54Low49.6Very low134 Ų134132.7 Ų132.781%0.81278%0.784SS**  trans-67.886.8154.81760000105.2L126 C130L126-V128 PolarHBondContact O-N 2.67Å; V128-C130 VanDerWaalsContact C-N 3.28Å; V128-C130 PolarHBondContact O-N 2.82Å
129I42.7Very low50.1Low122 Ų122133 Ų13363%0.62677%0.772SS**  trans-55.9105.9154.3-63.7173.5000104.1D127 E131D127-I129 HydrophobicContact CB-CG1 4.4Å; D127-I129 PolarHBondContact O-N 2.91Å; I129-E131 HydrophobicContact CG2-CB 4.08Å; I129-E131 HydrophobicContact CG2-CG 3.7Å; I129-E131 PolarHBondContact O-N 2.8Å
130C53.1Low51.6Low124 Ų124134.4 Ų134.484%0.83877%0.768SS**  trans-73.572.8169.3-1590000106.7V128 E132V128-C130 VanDerWaalsContact C-N 3.28Å; V128-C130 PolarHBondContact O-N 2.82Å; C130-E132 PolarHBondContact O-N 2.69Å
131E48.1Very low52.5Low157 Ų157132.6 Ų132.673%0.73475%0.754SS**  trans-79.9100.2166-101.5172.1171.700106.9I129 M133I129-E131 HydrophobicContact CG2-CB 4.08Å; I129-E131 HydrophobicContact CG2-CG 3.7Å; I129-E131 PolarHBondContact O-N 2.8Å; E131-M133 PolarHBondContact O-N 2.95Å; E131-M133 VanDerWaalsContact O-N 3.11Å
132E53.5Low54.3Low176 Ų176130.6 Ų130.682%0.82274%0.739SS**  9.594.5124.2-173.3179.5102.400112.9C130C130-E132 PolarHBondContact O-N 2.69Å
133M51.9Low56.3Low162 Ų162127.9 Ų127.980%0.79872%0.718SS**  trans-118.352167.5-142-179.272.300108.6E131E131-M133 PolarHBondContact O-N 2.95Å; E131-M133 VanDerWaalsContact O-N 3.11Å
134D62Low58.1Low127 Ų127125.7 Ų125.768%0.67970%0.702SS**  trans-77.2136.6154.3-81.9-40.5000108
135Q52.3Low60.6Low174 Ų174124.7 Ų124.781%0.81369%0.687SS**  trans82.366173.1-60.8126.953.500117.7
136T47.2Very low62.3Low109 Ų109122.6 Ų122.667%0.66967%0.667SS**SBendtrans-143.3105.5137.443.10000111.1G138T136-G138 PolarHBondContact O-N 2.7Å
137T54Low64.2Low150 Ų150123 Ų12392%0.9266%0.658SS**  trans3658.4145.8-48.10000116.3E139T137-E139 PolarHBondContact O-N 2.96Å
138G55.9Low66.4Low51 Ų51122.2 Ų122.253%0.52665%0.648SS.*  trans-91.288.4163.400000109T136 C142T136-G138 PolarHBondContact O-N 2.7Å; G138-C142 PolarHBondContact O-SG 3.27Å
139E54.3Low68.3Low133 Ų133121.5 Ų121.562%0.62164%0.639SS**  trans35.3139.9151.7-75.1169143.600122.7T137 Q141 C142T137-E139 PolarHBondContact O-N 2.96Å; E139-Q141 HydrophobicContact CB-CB 4.41Å; E139-Q141 PolarHBondContact O-N 2.86Å; E139-C142 PolarHBondContact O-N 3.49Å; E139-C142 PolarHBondContact O-SG 3.43Å; E139-C142 VanDerWaalsContact O-SG 3.33Å
140P72.7Confident70.7Confident103 Ų103119.2 Ų119.267%0.66963%0.626SS**Hα-helixtrans-56.4-18.8169.426.6-35.2000113.3V144P140-V144 WeakPolarHBondContact O-CB 3.44Å; P140-V144 WeakPolarHBondContact O-CG2 3.42Å; P140-V144 PolarHBondContact O-N 2.81Å
141Q70.3Confident72.6Confident142 Ų142118.5 Ų118.566%0.66461%0.61SS**Hα-helixtrans-70.9-34.7177.7-67.4-163-0.600113.5E139 E143 V144 A145E139-Q141 HydrophobicContact CB-CB 4.41Å; E139-Q141 PolarHBondContact O-N 2.86Å; Q141-E143 VanDerWaalsContact C-N 3.34Å; Q141-V144 PolarHBondContact O-N 2.98Å; Q141-A145 VanDerWaalsContact O-CB 3.3Å; Q141-A145 WeakPolarHBondContact O-CB 3.36Å; Q141-A145 PolarHBondContact O-N 3.39Å
142C77Confident74.6Confident79 Ų79114.3 Ų114.353%0.53459%0.592SS.*Hα-helixtrans-70.9-35177.981.70000111.1G138 E139 A145 R146G138-C142 PolarHBondContact O-SG 3.27Å; E139-C142 PolarHBondContact O-N 3.49Å; E139-C142 PolarHBondContact O-SG 3.43Å; E139-C142 VanDerWaalsContact O-SG 3.33Å; C142-A145 PolarHBondContact O-N 2.86Å; C142-R146 WeakPolarHBondContact O-CB 3.44Å; C142-R146 PolarHBondContact O-N 2.67Å
143E86.7Confident76.4Confident78 Ų78110.8 Ų110.836%0.36458%0.576SS.*Hα-helixtrans-72.3-36.5174.6-174.757.7-157.800112Q141 R146 R147Q141-E143 VanDerWaalsContact C-N 3.34Å; E143-R146 PolarHBondContact O-N 2.88Å; E143-R146 IonicContact OE1-CZ 3.52Å; E143-R146 IonicContact OE1-NE 3.52Å; E143-R146 IonicContact OE1-NH2 2.71Å; E143-R146 PolarHBondContact OE1-NH2 2.76Å; E143-R146 IonicContact OE2-CZ 3.72Å; E143-R146 IonicContact OE2-NE 2.97Å; E143-R146 PolarHBondContact OE2-NE 3.48Å; E143-R146 IonicContact OE2-NH2 3.58Å; E143-R147 WeakPolarHBondContact O-CB 3.48Å; E143-R147 PolarHBondContact O-N 3.35Å
144V89.4Confident78Confident72 Ų72106.7 Ų106.744%0.43656%0.557SS.*Hα-helixtrans-65.5-42.2171.3167.40000111.1P140 Q141 R146 R147 K148P140-V144 WeakPolarHBondContact O-CB 3.44Å; P140-V144 WeakPolarHBondContact O-CG2 3.42Å; P140-V144 PolarHBondContact O-N 2.81Å; Q141-V144 PolarHBondContact O-N 2.98Å; V144-R146 VanDerWaalsContact C-N 3.34Å; V144-R147 PolarHBondContact O-N 3.23Å; V144-K148 HydrophobicContact CG1-CD 4.46Å; V144-K148 WeakPolarHBondContact O-CB 2.89Å; V144-K148 WeakPolarHBondContact O-CG 3.45Å; V144-K148 PolarHBondContact O-N 3.42Å
145A91.1Very high79.2Confident51 Ų51107.2 Ų107.242%0.42155%0.549SS..Hα-helixtrans-62.6-43.3175.500000111Q141 C142 K148 L149Q141-A145 VanDerWaalsContact O-CB 3.3Å; Q141-A145 WeakPolarHBondContact O-CB 3.36Å; Q141-A145 PolarHBondContact O-N 3.39Å; C142-A145 PolarHBondContact O-N 2.86Å; A145-K148 PolarHBondContact O-N 3.18Å; A145-L149 WeakPolarHBondContact O-CG 3.34Å; A145-L149 PolarHBondContact O-N 3.32Å
146R92.1Very high80.6Confident136 Ų136102.7 Ų102.751%0.51353%0.53SS..Hα-helixtrans-62-43.7175.5-162.3-17470.374.21.4112C142 E143 V144 L149 Q150C142-R146 WeakPolarHBondContact O-CB 3.44Å; C142-R146 PolarHBondContact O-N 2.67Å; E143-R146 PolarHBondContact O-N 2.88Å; E143-R146 IonicContact OE1-CZ 3.52Å; E143-R146 IonicContact OE1-NE 3.52Å; E143-R146 IonicContact OE1-NH2 2.71Å; E143-R146 PolarHBondContact OE1-NH2 2.76Å; E143-R146 IonicContact OE2-CZ 3.72Å; E143-R146 IonicContact OE2-NE 2.97Å; E143-R146 PolarHBondContact OE2-NE 3.48Å; E143-R146 IonicContact OE2-NH2 3.58Å; V144-R146 VanDerWaalsContact C-N 3.34Å; R146-L149 PolarHBondContact O-N 3.11Å; R146-Q150 PolarHBondContact O-N 3.28Å
147R92.8Very high82Confident164 Ų164102.2 Ų102.262%0.61952%0.522SS*.Hα-helixtrans-64.8-39175.4-172.7179.6-66.8161.61.2112.4E143 V144 Q150 E151E143-R147 WeakPolarHBondContact O-CB 3.48Å; E143-R147 PolarHBondContact O-N 3.35Å; V144-R147 PolarHBondContact O-N 3.23Å; R147-Q150 WeakPolarHBondContact O-CB 3.28Å; R147-Q150 PolarHBondContact O-N 2.94Å; R147-E151 WeakPolarHBondContact O-CB 3.25Å; R147-E151 PolarHBondContact O-N 3.39Å
148K92.8Very high82.6Confident123 Ų123101.4 Ų101.454%0.53551%0.513SS..Hα-helixtrans-68.1-36.7175.1-78-170.1173.4-170.30112.5V144 A145 Q150 E151 I152V144-K148 HydrophobicContact CG1-CD 4.46Å; V144-K148 WeakPolarHBondContact O-CB 2.89Å; V144-K148 WeakPolarHBondContact O-CG 3.45Å; V144-K148 PolarHBondContact O-N 3.42Å; A145-K148 PolarHBondContact O-N 3.18Å; K148-Q150 VanDerWaalsContact C-N 3.34Å; K148-E151 PolarHBondContact O-N 3.27Å; K148-I152 WeakPolarHBondContact O-CD1 3.25Å; K148-I152 WeakPolarHBondContact O-CG1 3.41Å; K148-I152 PolarHBondContact O-N 3.49Å
149L94.4Very high82.9Confident119 Ų119105.3 Ų105.362%0.62352%0.517SS*.Hα-helixtrans-64-41.9172.2-73.9171.5000111A145 R146 I152 E153A145-L149 WeakPolarHBondContact O-CG 3.34Å; A145-L149 PolarHBondContact O-N 3.32Å; R146-L149 PolarHBondContact O-N 3.11Å; L149-I152 PolarHBondContact O-N 3.37Å; L149-E153 WeakPolarHBondContact O-CB 3.02Å; L149-E153 PolarHBondContact O-N 3.42Å
150Q92.5Very high83.4Confident74 Ų74104.3 Ų104.335%0.34652%0.516SS..Hα-helixtrans-63.3-44.1174-16766.757.600112.1R146 R147 K148 I152 E153 D154R146-Q150 PolarHBondContact O-N 3.28Å; R147-Q150 WeakPolarHBondContact O-CB 3.28Å; R147-Q150 PolarHBondContact O-N 2.94Å; K148-Q150 VanDerWaalsContact C-N 3.34Å; Q150-I152 VanDerWaalsContact C-N 3.26Å; Q150-I152 PolarHBondContact O-N 3.47Å; Q150-E153 PolarHBondContact NE2-OE2 3.15Å; Q150-E153 PolarHBondContact O-N 2.69Å; Q150-E153 VanDerWaalsContact O-N 3.17Å; Q150-D154 PolarHBondContact NE2-OD1 2.76Å; Q150-D154 WeakPolarHBondContact O-CB 3.49Å; Q150-D154 PolarHBondContact O-N 2.97Å
151E93.2Very high82.7Confident109 Ų109108.3 Ų108.351%0.50953%0.526SS..Hα-helixtrans-58.5-39176.7-177.6-164.5160.400111.9R147 K148 R155R147-E151 WeakPolarHBondContact O-CB 3.25Å; R147-E151 PolarHBondContact O-N 3.39Å; K148-E151 PolarHBondContact O-N 3.27Å; E151-R155 VanDerWaalsContact O-CB 3.27Å; E151-R155 WeakPolarHBondContact O-CB 3.27Å; E151-R155 PolarHBondContact O-N 2.94Å
152I91.2Very high82.3Confident69 Ų69107.4 Ų107.435%0.35452%0.521SS..Hα-helixtrans-70.9-42.8176.5-66161.6000110.6K148 L149 Q150 R155 I156K148-I152 WeakPolarHBondContact O-CD1 3.25Å; K148-I152 WeakPolarHBondContact O-CG1 3.41Å; K148-I152 PolarHBondContact O-N 3.49Å; L149-I152 PolarHBondContact O-N 3.37Å; Q150-I152 VanDerWaalsContact C-N 3.26Å; Q150-I152 PolarHBondContact O-N 3.47Å; I152-R155 PolarHBondContact O-N 2.83Å; I152-I156 HydrophobicContact CG2-CD1 3.63Å; I152-I156 HydrophobicContact CG2-CG1 4.34Å; I152-I156 WeakPolarHBondContact O-CB 3.27Å; I152-I156 WeakPolarHBondContact O-CD1 3.38Å; I152-I156 WeakPolarHBondContact O-CG1 3.32Å; I152-I156 PolarHBondContact O-N 2.65Å
153E89.7Confident81.5Confident102 Ų102109.4 Ų109.448%0.47753%0.531SS..Hα-helixtrans-59.6-48.9175.5178.8176.1-150.500111L149 Q150 R155 I156 I157L149-E153 WeakPolarHBondContact O-CB 3.02Å; L149-E153 PolarHBondContact O-N 3.42Å; Q150-E153 PolarHBondContact NE2-OE2 3.15Å; Q150-E153 PolarHBondContact O-N 2.69Å; Q150-E153 VanDerWaalsContact O-N 3.17Å; E153-R155 VanDerWaalsContact C-N 3.34Å; E153-R155 PolarHBondContact O-N 3.41Å; E153-I156 PolarHBondContact O-N 2.96Å; E153-I157 HydrophobicContact CG-CD1 3.64Å; E153-I157 HydrophobicContact CG-CG1 4.46Å; E153-I157 WeakPolarHBondContact O-CB 3.21Å; E153-I157 WeakPolarHBondContact O-CD1 3.48Å; E153-I157 WeakPolarHBondContact O-CG1 2.99Å; E153-I157 PolarHBondContact O-N 3.09Å
154D86.8Confident80.1Confident76 Ų76108.8 Ų108.841%0.40653%0.528SS..Hα-helixtrans-62.1-42.4178.9-63.6-9.1000110.9Q150 I156 I157 D158Q150-D154 PolarHBondContact NE2-OD1 2.76Å; Q150-D154 WeakPolarHBondContact O-CB 3.49Å; Q150-D154 PolarHBondContact O-N 2.97Å; D154-I156 PolarHBondContact O-N 2.65Å; D154-I157 PolarHBondContact O-N 2.71Å; D154-D158 PolarHBondContact O-N 2.88Å
155R87.1Confident78.6Confident137 Ų137109.2 Ų109.252%0.51754%0.54SS..Hα-helixtrans-65.7-37.2176.7-172.117767-151.5-3.4112.9E151 I152 E153 E159E151-R155 VanDerWaalsContact O-CB 3.27Å; E151-R155 WeakPolarHBondContact O-CB 3.27Å; E151-R155 PolarHBondContact O-N 2.94Å; I152-R155 PolarHBondContact O-N 2.83Å; E153-R155 VanDerWaalsContact C-N 3.34Å; E153-R155 PolarHBondContact O-N 3.41Å; R155-E159 VanDerWaalsContact O-CB 3.27Å; R155-E159 WeakPolarHBondContact O-CB 3.15Å; R155-E159 PolarHBondContact O-N 3.16Å; R155-E159 VanDerWaalsContact O-N 3.13Å
156I81.1Confident77Confident80 Ų80111 Ų11141%0.4154%0.542SS..Hα-helixtrans-69.4-41.6176.5-70.1166.4000110.1I152 E153 D154 D158 E159 D160I152-I156 HydrophobicContact CG2-CD1 3.63Å; I152-I156 HydrophobicContact CG2-CG1 4.34Å; I152-I156 WeakPolarHBondContact O-CB 3.27Å; I152-I156 WeakPolarHBondContact O-CD1 3.38Å; I152-I156 WeakPolarHBondContact O-CG1 3.32Å; I152-I156 PolarHBondContact O-N 2.65Å; E153-I156 PolarHBondContact O-N 2.96Å; D154-I156 PolarHBondContact O-N 2.65Å; I156-D158 PolarHBondContact O-N 3.01Å; I156-E159 PolarHBondContact O-N 3.17Å; I156-D160 WeakPolarHBondContact CG2-OD2 3.35Å; I156-D160 WeakPolarHBondContact O-CB 3.33Å; I156-D160 PolarHBondContact O-N 3.21Å
157I78Confident75.5Confident98 Ų98113.1 Ų113.150%0.50355%0.55SS.*Hα-helixtrans-64.2-41.4179.1-67.7164.5000111.4E153 D154E153-I157 HydrophobicContact CG-CD1 3.64Å; E153-I157 HydrophobicContact CG-CG1 4.46Å; E153-I157 WeakPolarHBondContact O-CB 3.21Å; E153-I157 WeakPolarHBondContact O-CD1 3.48Å; E153-I157 WeakPolarHBondContact O-CG1 2.99Å; E153-I157 PolarHBondContact O-N 3.09Å; D154-I157 PolarHBondContact O-N 2.71Å
158D64.6Low74Confident134 Ų134108.3 Ų108.372%0.71754%0.537SS*.Hα-helixtrans-72-27.5177.3-72.4-25.7000113.1D154 I156D154-D158 PolarHBondContact O-N 2.88Å; I156-D158 PolarHBondContact O-N 3.01Å
159E62.2Low72.5Confident133 Ų133108 Ų10862%0.62154%0.544SS*.Hα-helixtrans-81.9-22.4178.4-166.6171.5-16900112.5R155 I156R155-E159 VanDerWaalsContact O-CB 3.27Å; R155-E159 WeakPolarHBondContact O-CB 3.15Å; R155-E159 PolarHBondContact O-N 3.16Å; R155-E159 VanDerWaalsContact O-N 3.13Å; I156-E159 PolarHBondContact O-N 3.17Å
160D64.9Low71.2Confident112 Ų112108.6 Ų108.660%0.59955%0.549SS*.Hα-helixtrans-94.7-10-175.8-69.7-21.5000114.8I156I156-D160 WeakPolarHBondContact CG2-OD2 3.35Å; I156-D160 WeakPolarHBondContact O-CB 3.33Å; I156-D160 PolarHBondContact O-N 3.21Å
161E58.2Low70.3Confident186 Ų186112.2 Ų112.287%0.86957%0.565SS**THydrogen-bonded Turntrans-96.515.3168.8-150.7-176.1178.100113.4
162E62Low69.8Low123 Ų123113.4 Ų113.458%0.57557%0.574SS**  trans-144.168.8158.1-147.1-169.5-165.100108.4E164E162-E164 VanDerWaalsContact CD-CD 3.48Å; E162-E164 VanDerWaalsContact CD-CG 3.42Å; E162-E164 HydrophobicContact CG-CG 3.63Å; E162-E164 PolarHBondContact O-N 3.05Å; E162-E164 VanDerWaalsContact OE1-OE2 3.04Å
163V60.2Low69.5Low122 Ų122116.2 Ų116.274%0.73960%0.597SS**  trans-63.579.6143.6177.10000105A165V163-A165 PolarHBondContact O-N 3.08Å
164E58.7Low69.3Low64 Ų64116.3 Ų116.330%0.29961%0.609SS.*  trans-47.2100.4150.1-76-64.5-89.600103.1E162 D166 R167E162-E164 VanDerWaalsContact CD-CD 3.48Å; E162-E164 VanDerWaalsContact CD-CG 3.42Å; E162-E164 HydrophobicContact CG-CG 3.63Å; E162-E164 PolarHBondContact O-N 3.05Å; E162-E164 VanDerWaalsContact OE1-OE2 3.04Å; E164-D166 WeakPolarHBondContact O-CA 3.26Å; E164-D166 PolarHBondContact O-N 2.98Å; E164-R167 VanDerWaalsContact CD-CZ 3.48Å; E164-R167 WeakPolarHBondContact OE1-CD 3.23Å; E164-R167 WeakPolarHBondContact OE1-CG 3.43Å; E164-R167 IonicContact OE1-CZ 3.48Å; E164-R167 IonicContact OE1-NE 2.67Å; E164-R167 PolarHBondContact OE1-NE 2.77Å; E164-R167 IonicContact OE1-NH1 3.18Å; E164-R167 PolarHBondContact OE1-NH1 2.91Å; E164-R167 IonicContact OE1-NH2 3.13Å; E164-R167 PolarHBondContact OE1-NH2 2.77Å; E164-R167 IonicContact OE2-CZ 2.8Å; E164-R167 IonicContact OE2-NE 3.35Å; E164-R167 PolarHBondContact OE2-NE 2.94Å; E164-R167 IonicContact OE2-NH2 2.95Å; E164-R167 PolarHBondContact OE2-NH2 3.21Å
165A57.2Low69.5Low82 Ų82119.6 Ų119.668%0.67863%0.626SS**  trans-54.896.7165.100000103.5V163 R167V163-A165 PolarHBondContact O-N 3.08Å; A165-R167 VanDerWaalsContact C-N 3.33Å; A165-R167 WeakPolarHBondContact O-CG 3.48Å; A165-R167 PolarHBondContact O-N 3.34Å
166D58.1Low69.7Low89 Ų89119.1 Ų119.148%0.47664%0.638SS.*  trans-1790.4-168.9-177.87.7000111.9E164 N168E164-D166 WeakPolarHBondContact O-CA 3.26Å; E164-D166 PolarHBondContact O-N 2.98Å; D166-N168 PolarHBondContact O-N 2.89Å; D166-N168 WeakPolarHBondContact OD1-CA 3.27Å; D166-N168 WeakPolarHBondContact OD1-CB 3.27Å; D166-N168 PolarHBondContact OD1-N 3Å; D166-N168 PolarHBondContact OD1-ND2 3.38Å; D166-N168 PolarHBondContact OD1-OD1 3.44Å; D166-N168 PolarHBondContact OD2-OD1 3Å
167R60.6Low70.2Confident180 Ų180118.5 Ų118.568%0.67964%0.635SS**THydrogen-bonded Turntrans-69.75.3178.7-55.2-166.2-174.6165.513.4110.7E164 A165E164-R167 VanDerWaalsContact CD-CZ 3.48Å; E164-R167 WeakPolarHBondContact OE1-CD 3.23Å; E164-R167 WeakPolarHBondContact OE1-CG 3.43Å; E164-R167 IonicContact OE1-CZ 3.48Å; E164-R167 IonicContact OE1-NE 2.67Å; E164-R167 PolarHBondContact OE1-NE 2.77Å; E164-R167 IonicContact OE1-NH1 3.18Å; E164-R167 PolarHBondContact OE1-NH1 2.91Å; E164-R167 IonicContact OE1-NH2 3.13Å; E164-R167 PolarHBondContact OE1-NH2 2.77Å; E164-R167 IonicContact OE2-CZ 2.8Å; E164-R167 IonicContact OE2-NE 3.35Å; E164-R167 PolarHBondContact OE2-NE 2.94Å; E164-R167 IonicContact OE2-NH2 2.95Å; E164-R167 PolarHBondContact OE2-NH2 3.21Å; A165-R167 VanDerWaalsContact C-N 3.33Å; A165-R167 WeakPolarHBondContact O-CG 3.48Å; A165-R167 PolarHBondContact O-N 3.34Å
168N60.6Low71Confident63 Ų63116.9 Ų116.934%0.33763%0.632SS.*THydrogen-bonded Turntrans-101.737.3178.583.256.6000114.6D166 N170 H171D166-N168 PolarHBondContact O-N 2.89Å; D166-N168 WeakPolarHBondContact OD1-CA 3.27Å; D166-N168 WeakPolarHBondContact OD1-CB 3.27Å; D166-N168 PolarHBondContact OD1-N 3Å; D166-N168 PolarHBondContact OD1-ND2 3.38Å; D166-N168 PolarHBondContact OD1-OD1 3.44Å; D166-N168 PolarHBondContact OD2-OD1 3Å; N168-N170 PolarHBondContact O-N 3.49Å; N168-H171 HydrophobicContact CB-CB 4.28Å; N168-H171 WeakPolarHBondContact CB-CD2 3.38Å; N168-H171 PolarHBondContact O-N 3.13Å
169V62.3Low72.4Confident115 Ų115115.8 Ų115.870%0.69763%0.626SS**THydrogen-bonded Turntrans-50.6-9.4161.5-59.80000114.3
170N65.7Low73.9Confident133 Ų133115 Ų11571%0.71163%0.631SS**THydrogen-bonded Turntrans-96.1-1.4175.9-54.4-61.9000115.4N168N168-N170 PolarHBondContact O-N 3.49Å
171H73.7Confident75Confident149 Ų149113.7 Ų113.769%0.6962%0.622SS**SBendtrans-86.5-8.2176.3-73.7-15.4000113.7N168N168-H171 HydrophobicContact CB-CB 4.28Å; N168-H171 WeakPolarHBondContact CB-CD2 3.38Å; N168-H171 PolarHBondContact O-N 3.13Å
172L83.2Confident76.6Confident135 Ų135109.9 Ų109.971%0.70760%0.603SS**SBendtrans-88.6141.1173.1-62.7176.7000110.6S174L172-S174 PolarHBondContact O-N 3.36Å; L172-S174 VanDerWaalsContact O-N 3.16Å
173P85.6Confident77.8Confident127 Ų127107.3 Ų107.383%0.82560%0.596SS**PPolyproline II helixtrans-58.7122.5173.223.5-31.7000109.8
174S85.6Confident79Confident105 Ų105102.4 Ų102.473%0.73457%0.57SS**PPolyproline II helixtrans-78.6121.7176.4-170.10000109.8L172 V176L172-S174 PolarHBondContact O-N 3.36Å; L172-S174 VanDerWaalsContact O-N 3.16Å; S174-V176 PolarHBondContact O-N 3.49Å
175L89.1Confident80.1Confident145 Ų145101.8 Ų101.876%0.75957%0.568SS**  trans-76.3108.3172.3-178.765.9000109.4L177L175-L177 HydrophobicContact CD2-CD2 3.78Å; L175-L177 HydrophobicContact CG-CD2 3.89Å
176V91.4Very high81.3Confident126 Ų126106.5 Ų106.576%0.76457%0.573SS**PPolyproline II helixtrans-88.4121173.3-176.90000109.3S174S174-V176 PolarHBondContact O-N 3.49Å
177L92.9Very high82.3Confident67 Ų67112 Ų11235%0.35159%0.587SS.*PPolyproline II helixtrans-92.7143.1177.6-57.8178.8000110.7L175 M181 L185L175-L177 HydrophobicContact CD2-CD2 3.78Å; L175-L177 HydrophobicContact CG-CD2 3.89Å; L177-M181 HydrophobicContact CB-CE 3.79Å; L177-M181 HydrophobicContact CD2-CE 3.34Å; L177-M181 HydrophobicContact CD2-SD 3.92Å; L177-M181 HydrophobicContact CG-CE 4.12Å; L177-L185 HydrophobicContact CD1-CD1 4.26Å
178S94.3Very high82.8Confident65 Ų65107.4 Ų107.446%0.45557%0.574SS.*PPolyproline II helixtrans-64.8153.3172.166.10000111.5T180 M181 K182S178-T180 PolarHBondContact O-N 2.85Å; S178-M181 PolarHBondContact O-N 3.07Å; S178-M181 VanDerWaalsContact OG-CB 3.26Å; S178-M181 WeakPolarHBondContact OG-CB 3.26Å; S178-M181 PolarHBondContact OG-N 3.03Å; S178-K182 WeakPolarHBondContact O-CB 3.42Å; S178-K182 PolarHBondContact O-N 3.3Å
179D94.3Very high83.3Confident110 Ų110110.4 Ų110.459%0.58858%0.584SS**Hα-helixtrans-60.1-36.2179.8-75.5-38.6000112.7K182 T183D179-K182 WeakPolarHBondContact OD1-CE 3.44Å; D179-K182 IonicContact OD1-NZ 2.76Å; D179-K182 PolarHBondContact OD1-NZ 2.91Å; D179-T183 WeakPolarHBondContact O-CB 3.45Å; D179-T183 VanDerWaalsContact O-CG2 3.3Å; D179-T183 WeakPolarHBondContact O-CG2 3.43Å; D179-T183 PolarHBondContact O-N 3.04Å; D179-T183 PolarHBondContact O-OG1 3.38Å
180T92.7Very high83.5Confident117 Ų117111.6 Ų111.672%0.71859%0.587SS**Hα-helixtrans-62.8-44.4173.9-49.40000111.2S178 T183 G184S178-T180 PolarHBondContact O-N 2.85Å; T180-T183 PolarHBondContact O-OG1 2.93Å; T180-G184 WeakPolarHBondContact O-CA 3.46Å; T180-G184 PolarHBondContact O-N 3.41Å
181M89.3Confident83.8Confident84 Ų84113.1 Ų113.141%0.41459%0.589SS.*Hα-helixtrans-70.3-41.6178.7-179.9164.945.500111.9L177 S178 T183 G184 L185L177-M181 HydrophobicContact CB-CE 3.79Å; L177-M181 HydrophobicContact CD2-CE 3.34Å; L177-M181 HydrophobicContact CD2-SD 3.92Å; L177-M181 HydrophobicContact CG-CE 4.12Å; S178-M181 PolarHBondContact O-N 3.07Å; S178-M181 VanDerWaalsContact OG-CB 3.26Å; S178-M181 WeakPolarHBondContact OG-CB 3.26Å; S178-M181 PolarHBondContact OG-N 3.03Å; M181-T183 PolarHBondContact O-N 3.44Å; M181-G184 PolarHBondContact O-N 3.33Å; M181-L185 HydrophobicContact CG-CD1 4.14Å; M181-L185 WeakPolarHBondContact O-CB 3.18Å; M181-L185 WeakPolarHBondContact O-CG 3.43Å; M181-L185 PolarHBondContact O-N 3.07Å
182K90.7Very high84.1Confident107 Ų107110.7 Ų110.747%0.46559%0.585SS.*Hα-helixtrans-60.7-43.6176.2-177.4178.967.2-161.10112S178 D179 K186S178-K182 WeakPolarHBondContact O-CB 3.42Å; S178-K182 PolarHBondContact O-N 3.3Å; D179-K182 WeakPolarHBondContact OD1-CE 3.44Å; D179-K182 IonicContact OD1-NZ 2.76Å; D179-K182 PolarHBondContact OD1-NZ 2.91Å; K182-K186 WeakPolarHBondContact O-CB 3.45Å; K182-K186 PolarHBondContact O-N 2.84Å
183T87.6Confident84.1Confident69 Ų69107.1 Ų107.142%0.42356%0.563SS.*Hα-helixtrans-80.3-31179.456.30000113.1D179 T180 M181 R187D179-T183 WeakPolarHBondContact O-CB 3.45Å; D179-T183 VanDerWaalsContact O-CG2 3.3Å; D179-T183 WeakPolarHBondContact O-CG2 3.43Å; D179-T183 PolarHBondContact O-N 3.04Å; D179-T183 PolarHBondContact O-OG1 3.38Å; T180-T183 PolarHBondContact O-OG1 2.93Å; M181-T183 PolarHBondContact O-N 3.44Å; T183-R187 WeakPolarHBondContact O-CB 3.19Å; T183-R187 PolarHBondContact O-N 3.02Å
184G85.8Confident84.1Confident19 Ų19104.2 Ų104.220%0.19654%0.543CS..Hα-helixtrans-56.3-65.2168.600000109.8T180 M181 K186 R187 E188T180-G184 WeakPolarHBondContact O-CA 3.46Å; T180-G184 PolarHBondContact O-N 3.41Å; M181-G184 PolarHBondContact O-N 3.33Å; G184-K186 VanDerWaalsContact C-N 3.3Å; G184-K186 PolarHBondContact O-N 2.91Å; G184-R187 WeakPolarHBondContact O-CA 3.49Å; G184-R187 WeakPolarHBondContact O-CB 3.39Å; G184-R187 PolarHBondContact O-N 2.81Å; G184-E188 WeakPolarHBondContact O-CG 3.37Å; G184-E188 PolarHBondContact O-N 3.06Å; G184-E188 VanDerWaalsContact O-N 3.14Å
185L82.7Confident84.3Confident50 Ų50106.2 Ų106.226%0.26254%0.539SS..Hα-helixtrans-50.5-48.5179.6-71172.4000112.2L177 M181 R187 E188 F189 F193L177-L185 HydrophobicContact CD1-CD1 4.26Å; M181-L185 HydrophobicContact CG-CD1 4.14Å; M181-L185 WeakPolarHBondContact O-CB 3.18Å; M181-L185 WeakPolarHBondContact O-CG 3.43Å; M181-L185 PolarHBondContact O-N 3.07Å; L185-R187 PolarHBondContact O-N 3.17Å; L185-R187 VanDerWaalsContact O-N 3.12Å; L185-E188 PolarHBondContact O-N 3.32Å; L185-F189 VanDerWaalsContact O-CD2 3.28Å; L185-F189 WeakPolarHBondContact O-CD2 3.27Å; L185-F189 PolarHBondContact O-N 3.03Å; L185-F189 VanDerWaalsContact O-N 3.13Å; L185-F193 HydrophobicContact CD2-CD2 4.45Å; L185-F193 HydrophobicContact CD2-CE2 3.89Å; L185-F193 HydrophobicContact CD2-CZ 4.17Å
186K80.8Confident84.2Confident182 Ų182105.9 Ų105.979%0.79153%0.531SS*.Hα-helixtrans-56.1-31.1177.7-113.6178.2151.5-170.90114.4K182 G184K182-K186 WeakPolarHBondContact O-CB 3.45Å; K182-K186 PolarHBondContact O-N 2.84Å; G184-K186 VanDerWaalsContact C-N 3.3Å; G184-K186 PolarHBondContact O-N 2.91Å
187R79.1Confident84Confident204 Ų204104.1 Ų104.177%0.7752%0.516SS*.Hα-helixtrans-84-34.8-178.2-173.5-168.4-58.5-173.61.3112.7T183 G184 L185T183-R187 WeakPolarHBondContact O-CB 3.19Å; T183-R187 PolarHBondContact O-N 3.02Å; G184-R187 WeakPolarHBondContact O-CA 3.49Å; G184-R187 WeakPolarHBondContact O-CB 3.39Å; G184-R187 PolarHBondContact O-N 2.81Å; L185-R187 PolarHBondContact O-N 3.17Å; L185-R187 VanDerWaalsContact O-N 3.12Å
188E72.6Confident83.9Confident83 Ų83105.8 Ų105.839%0.38852%0.524SS..Hα-helixtrans-94.3-6.9-174.217.3178.1-157.400113.7G184 L185 D190 F193G184-E188 WeakPolarHBondContact O-CG 3.37Å; G184-E188 PolarHBondContact O-N 3.06Å; G184-E188 VanDerWaalsContact O-N 3.14Å; L185-E188 PolarHBondContact O-N 3.32Å; E188-D190 PolarHBondContact O-N 2.91Å; E188-D190 VanDerWaalsContact O-N 3.12Å; E188-F193 HydrophobicContact CB-CB 4.38Å; E188-F193 WeakPolarHBondContact O-CB 3.39Å; E188-F193 PolarHBondContact O-N 3.22Å
189F69.8Low83.7Confident126 Ų126107 Ų10755%0.55352%0.523SS*.THydrogen-bonded Turntrans-61.5-17178-115-91.6000114.4L185 E191 F193L185-F189 VanDerWaalsContact O-CD2 3.28Å; L185-F189 WeakPolarHBondContact O-CD2 3.27Å; L185-F189 PolarHBondContact O-N 3.03Å; L185-F189 VanDerWaalsContact O-N 3.13Å; F189-E191 VanDerWaalsContact C-N 3.3Å; F189-E191 PolarHBondContact O-N 3.23Å; F189-F193 HydrophobicContact CD2-CD1 4.31Å; F189-F193 HydrophobicContact CE2-CD1 4.18Å; F189-F193 HydrophobicContact CE2-CE1 4.09Å; F189-F193 HydrophobicContact CZ-CD1 4.35Å; F189-F193 HydrophobicContact CZ-CE1 4.2Å
190D66.8Low83.2Confident141 Ų141105 Ų10575%0.75452%0.517SS*.THydrogen-bonded Turntrans-71.580.5173.4-94.6-11.9000110.8E188 V192E188-D190 PolarHBondContact O-N 2.91Å; E188-D190 VanDerWaalsContact O-N 3.12Å; D190-V192 PolarHBondContact O-N 3.43Å
191E71.5Confident82.9Confident165 Ų165106.8 Ų106.877%0.77152%0.519SS*.THydrogen-bonded Turntrans61.7-29.7169.6-75.8168.7145.800117.3F189 K195F189-E191 VanDerWaalsContact C-N 3.3Å; F189-E191 PolarHBondContact O-N 3.23Å; E191-K195 WeakPolarHBondContact O-CB 3.35Å; E191-K195 PolarHBondContact O-N 3.42Å
192V79.9Confident82.7Confident98 Ų98106.9 Ų106.959%0.59453%0.528SS*.Hα-helixtrans-67.3-43.7177.7178.70000110.3D190 K195 K196D190-V192 PolarHBondContact O-N 3.43Å; V192-K195 PolarHBondContact O-N 3.25Å; V192-K196 WeakPolarHBondContact O-CB 3.38Å; V192-K196 PolarHBondContact O-N 3.44Å
193F83.4Confident82.4Confident59 Ų59109.2 Ų109.226%0.25953%0.534SS..Hα-helixtrans-63-49.2175.9179.8-105.1000111.9L185 E188 F189 K195 K196 M197L185-F193 HydrophobicContact CD2-CD2 4.45Å; L185-F193 HydrophobicContact CD2-CE2 3.89Å; L185-F193 HydrophobicContact CD2-CZ 4.17Å; E188-F193 HydrophobicContact CB-CB 4.38Å; E188-F193 WeakPolarHBondContact O-CB 3.39Å; E188-F193 PolarHBondContact O-N 3.22Å; F189-F193 HydrophobicContact CD2-CD1 4.31Å; F189-F193 HydrophobicContact CE2-CD1 4.18Å; F189-F193 HydrophobicContact CE2-CE1 4.09Å; F189-F193 HydrophobicContact CZ-CD1 4.35Å; F189-F193 HydrophobicContact CZ-CE1 4.2Å; F193-K195 VanDerWaalsContact C-N 3.33Å; F193-K195 PolarHBondContact O-N 3.5Å; F193-K196 PolarHBondContact O-N 3.32Å; F193-M197 HydrophobicContact CD1-CE 3.87Å; F193-M197 HydrophobicContact CE1-CE 3.25Å; F193-M197 HydrophobicContact CZ-CE 3.79Å; F193-M197 WeakPolarHBondContact O-CB 3.49Å; F193-M197 PolarHBondContact O-N 2.85Å
194T85.7Confident82Confident66 Ų66112.3 Ų112.341%0.40556%0.555SS.*Hα-helixtrans-61.3-41.6177.4-52.50000111.3M197 I198T194-M197 PolarHBondContact O-N 3.43Å; T194-I198 HydrophobicContact CG2-CD1 3.97Å; T194-I198 VanDerWaalsContact O-CG1 3.27Å; T194-I198 WeakPolarHBondContact O-CG1 3.44Å; T194-I198 PolarHBondContact O-N 3.02Å
195K89.3Confident81.2Confident147 Ų147116.9 Ų116.964%0.63958%0.584SS**Hα-helixtrans-62-46174.9-178-177.2176.2-175.40111.7E191 V192 F193 M197 I198 E199E191-K195 WeakPolarHBondContact O-CB 3.35Å; E191-K195 PolarHBondContact O-N 3.42Å; V192-K195 PolarHBondContact O-N 3.25Å; F193-K195 VanDerWaalsContact C-N 3.33Å; F193-K195 PolarHBondContact O-N 3.5Å; K195-M197 VanDerWaalsContact C-N 3.33Å; K195-M197 PolarHBondContact O-N 3.34Å; K195-I198 PolarHBondContact O-N 2.92Å; K195-E199 VanDerWaalsContact O-CB 3.25Å; K195-E199 WeakPolarHBondContact O-CB 3.5Å; K195-E199 PolarHBondContact O-N 2.94Å
196K87.1Confident80.7Confident138 Ų138121.7 Ų121.760%0.661%0.607SS**Hα-helixtrans-66.8-35.6-179.4-166.1172.5177.8-177.40111.7V192 F193 S200V192-K196 WeakPolarHBondContact O-CB 3.38Å; V192-K196 PolarHBondContact O-N 3.44Å; F193-K196 PolarHBondContact O-N 3.32Å; K196-S200 VanDerWaalsContact O-CB 3.27Å; K196-S200 WeakPolarHBondContact O-CB 3.14Å; K196-S200 PolarHBondContact O-N 3.02Å; K196-S200 PolarHBondContact O-OG 3.12Å
197M88.4Confident80.7Confident90 Ų90121.2 Ų121.244%0.44361%0.608SS.*Hα-helixtrans-64.3-52.9172.9-171.2-169-48.500111.1F193 T194 K195 E199 S200 M201F193-M197 HydrophobicContact CD1-CE 3.87Å; F193-M197 HydrophobicContact CE1-CE 3.25Å; F193-M197 HydrophobicContact CZ-CE 3.79Å; F193-M197 WeakPolarHBondContact O-CB 3.49Å; F193-M197 PolarHBondContact O-N 2.85Å; T194-M197 PolarHBondContact O-N 3.43Å; K195-M197 VanDerWaalsContact C-N 3.33Å; K195-M197 PolarHBondContact O-N 3.34Å; M197-E199 VanDerWaalsContact C-N 3.31Å; M197-E199 PolarHBondContact O-N 2.96Å; M197-S200 PolarHBondContact O-N 3.35Å; M197-S200 VanDerWaalsContact O-N 3.15Å; M197-S200 PolarHBondContact O-OG 2.96Å; M197-M201 WeakPolarHBondContact O-CG 3.38Å; M197-M201 PolarHBondContact O-N 2.88Å
198I89.4Confident80.9Confident101 Ų101118.8 Ų118.852%0.51861%0.609SS.*Hα-helixtrans-59.6-44.1178.2-66.2166.1000110.4T194 K195 S200 M201 S202T194-I198 HydrophobicContact CG2-CD1 3.97Å; T194-I198 VanDerWaalsContact O-CG1 3.27Å; T194-I198 WeakPolarHBondContact O-CG1 3.44Å; T194-I198 PolarHBondContact O-N 3.02Å; K195-I198 PolarHBondContact O-N 2.92Å; I198-S200 PolarHBondContact O-N 2.97Å; I198-M201 PolarHBondContact O-N 3.43Å; I198-S202 VanDerWaalsContact O-CB 3.26Å; I198-S202 WeakPolarHBondContact O-CB 3.2Å; I198-S202 PolarHBondContact O-N 3.43Å; I198-S202 PolarHBondContact O-OG 3.29Å
199E90.3Very high81.4Confident92 Ų92119.4 Ų119.443%0.4362%0.618SS.*Hα-helixtrans-60.1-44.5176.2-172.1-172.3159.100111.6K195 M197 M201 S202 R203K195-E199 VanDerWaalsContact O-CB 3.25Å; K195-E199 WeakPolarHBondContact O-CB 3.5Å; K195-E199 PolarHBondContact O-N 2.94Å; M197-E199 VanDerWaalsContact C-N 3.31Å; M197-E199 PolarHBondContact O-N 2.96Å; E199-M201 PolarHBondContact O-N 2.84Å; E199-S202 PolarHBondContact O-N 3.36Å; E199-R203 WeakPolarHBondContact O-CG 3.3Å; E199-R203 PolarHBondContact O-N 2.87Å; E199-R203 IonicContact OE1-CZ 2.69Å; E199-R203 IonicContact OE1-NH2 3.83Å; E199-R203 PolarHBondContact OE1-NH2 2.97Å
200S85.3Confident82.2Confident67 Ų67120 Ų12047%0.46963%0.627SS.*Hα-helixtrans-64.2-39.6179.670.20000112.7K196 M197 I198 S202K196-S200 VanDerWaalsContact O-CB 3.27Å; K196-S200 WeakPolarHBondContact O-CB 3.14Å; K196-S200 PolarHBondContact O-N 3.02Å; K196-S200 PolarHBondContact O-OG 3.12Å; M197-S200 PolarHBondContact O-N 3.35Å; M197-S200 VanDerWaalsContact O-N 3.15Å; M197-S200 PolarHBondContact O-OG 2.96Å; I198-S200 PolarHBondContact O-N 2.97Å; S200-S202 VanDerWaalsContact C-N 3.32Å
201M84.8Confident82.9Confident155 Ų155124.2 Ų124.276%0.76463%0.632SS**Hα-helixtrans-76.9-20.6178.6-65.7-62.7-66.400112.7M197 I198 E199 R203M197-M201 WeakPolarHBondContact O-CG 3.38Å; M197-M201 PolarHBondContact O-N 2.88Å; I198-M201 PolarHBondContact O-N 3.43Å; E199-M201 PolarHBondContact O-N 2.84Å; M201-R203 VanDerWaalsContact C-N 3.34Å
202S85.9Confident83.5Confident85 Ų85124.4 Ų124.459%0.59463%0.63SS**THydrogen-bonded Turntrans-86.3-4.6178.9-57.90000113I198 E199 S200 P204I198-S202 VanDerWaalsContact O-CB 3.26Å; I198-S202 WeakPolarHBondContact O-CB 3.2Å; I198-S202 PolarHBondContact O-N 3.43Å; I198-S202 PolarHBondContact O-OG 3.29Å; E199-S202 PolarHBondContact O-N 3.36Å; S200-S202 VanDerWaalsContact C-N 3.32Å; S202-P204 WeakPolarHBondContact O-CD 3.36Å
203R85.3Confident83.5Confident156 Ų156125.2 Ų125.259%0.58964%0.638SS**SBendtrans-78.5125.8174-58.1-158.2178-143.1-1109.1E199 M201 S205E199-R203 WeakPolarHBondContact O-CG 3.3Å; E199-R203 PolarHBondContact O-N 2.87Å; E199-R203 IonicContact OE1-CZ 2.69Å; E199-R203 IonicContact OE1-NH2 3.83Å; E199-R203 PolarHBondContact OE1-NH2 2.97Å; M201-R203 VanDerWaalsContact C-N 3.34Å; R203-S205 VanDerWaalsContact C-N 3.34Å; R203-S205 PolarHBondContact O-N 2.71Å
204P78.6Confident83.1Confident135 Ų135129.6 Ų129.688%0.87766%0.663SS**  trans-64.997.1167.8-13.428000107.8S202S202-P204 WeakPolarHBondContact O-CD 3.36Å
205S67.8Low82.6Confident114 Ų114131.1 Ų131.180%0.79767%0.674SS**  trans-98.48-165.3570000114.5R203R203-S205 VanDerWaalsContact C-N 3.34Å; R203-S205 PolarHBondContact O-N 2.71Å
206M73.9Confident81.8Confident152 Ų152133 Ų13375%0.74969%0.686SS**  trans-124.278.7-176.2-163.2164.859.900109.9L208M206-L208 HydrophobicContact CG-CD2 3.97Å; M206-L208 PolarHBondContact O-N 2.88Å; M206-L208 HydrophobicContact SD-CD2 4.42Å
207E79.1Confident80.7Confident172 Ų172133.5 Ų133.580%0.80469%0.694SS**  trans-76.1114.9159.861.9-179.2-176.800108.3V209E207-V209 PolarHBondContact O-N 3.43Å; E207-V209 VanDerWaalsContact O-N 3.09Å
208L83.3Confident79.4Confident152 Ų152137.9 Ų137.980%0.79672%0.718SS**  trans-75.399.4174.8-62.9178.7000108.1M206 L210M206-L208 HydrophobicContact CG-CD2 3.97Å; M206-L208 PolarHBondContact O-N 2.88Å; M206-L208 HydrophobicContact SD-CD2 4.42Å; L208-L210 PolarHBondContact O-N 2.9Å
209V84.8Confident77.8Confident96 Ų96138.3 Ų138.358%0.58273%0.73SS**  trans-79.6110165.8179.10000107.3E207 W211E207-V209 PolarHBondContact O-N 3.43Å; E207-V209 VanDerWaalsContact O-N 3.09Å; V209-W211 VanDerWaalsContact O-CD1 3.32Å; V209-W211 PolarHBondContact O-N 3.28Å
210L86.3Confident75.8Confident140 Ų140140.9 Ų140.973%0.73375%0.746SS**  trans-70.3100.6173.2-178.165.2000108.6L208 K212L208-L210 PolarHBondContact O-N 2.9Å; L210-K212 HydrophobicContact CD2-CD 4.26Å; L210-K212 HydrophobicContact CD2-CG 3.77Å; L210-K212 HydrophobicContact CG-CG 3.87Å; L210-K212 PolarHBondContact O-N 3.31Å
211W81.6Confident74.5Confident228 Ų228146.4 Ų146.486%0.86476%0.762SS**  trans-70.388.8166-73.279.3000107.7V209 P213V209-W211 VanDerWaalsContact O-CD1 3.32Å; V209-W211 PolarHBondContact O-N 3.28Å; W211-P213 VanDerWaalsContact O-CD 3.23Å; W211-P213 WeakPolarHBondContact O-CD 3.35Å
212K82.7Confident73.1Confident169 Ų169144.7 Ų144.774%0.73576%0.763SS**PPolyproline II helixtrans-66.4116.8168.8-64.9-175.382.8164.40106.1L210 L214L210-K212 HydrophobicContact CD2-CD 4.26Å; L210-K212 HydrophobicContact CD2-CG 3.77Å; L210-K212 HydrophobicContact CG-CG 3.87Å; L210-K212 PolarHBondContact O-N 3.31Å; K212-L214 PolarHBondContact O-N 3.42Å
213P81.6Confident71.8Confident116 Ų116149.5 Ų149.575%0.75377%0.773SS**PPolyproline II helixtrans-56137.5172.110-10.2000108.1W211W211-P213 VanDerWaalsContact O-CD 3.23Å; W211-P213 WeakPolarHBondContact O-CD 3.35Å
214L74Confident70.1Confident151 Ų151148.1 Ų148.179%0.79178%0.784SS**PPolyproline II helixtrans-54.4125.5176.6-166.471000106.8K212 E216K212-L214 PolarHBondContact O-N 3.42Å; L214-E216 PolarHBondContact O-N 3.07Å; L214-E216 VanDerWaalsContact O-N 3.08Å
215P76.3Confident68.7Low98 Ų98146.9 Ų146.964%0.63678%0.779SS**PPolyproline II helixtrans-52.3125.4177-22.931.4000107.8L217P215-L217 VanDerWaalsContact C-N 3.27Å; P215-L217 PolarHBondContact O-N 2.93Å
216E72.6Confident68Low187 Ų187147.2 Ų147.287%0.87478%0.781SS**  trans-57.799.4171.5-68.4177.8-174.500106.3L214 L218L214-E216 PolarHBondContact O-N 3.07Å; L214-E216 VanDerWaalsContact O-N 3.08Å; E216-L218 PolarHBondContact O-N 3.33Å
217L63.6Low66.4Low147 Ų147146.7 Ų146.777%0.7778%0.781SS**  trans-62.1108.1175-69.5174.5000105.4P215 S219P215-L217 VanDerWaalsContact C-N 3.27Å; P215-L217 PolarHBondContact O-N 2.93Å; L217-S219 VanDerWaalsContact C-N 3.33Å; L217-S219 PolarHBondContact O-N 2.94Å
218L60.8Low64.9Low183 Ų183144.6 Ų144.696%0.95878%0.78SS**  trans-3796.1167.4-63.8168000110.1E216E216-L218 PolarHBondContact O-N 3.33Å
219S55.4Low63.1Low109 Ų109145.8 Ų145.876%0.76278%0.779SS**  trans-136.8100.9159.7570000103.7L217L217-S219 VanDerWaalsContact C-N 3.33Å; L217-S219 PolarHBondContact O-N 2.94Å
220D47.4Very low61.1Low146 Ų146147.5 Ų147.578%0.78179%0.785SS**  -131.9117.780.3-160.215.1000110.8P222D220-P222 VanDerWaalsContact O-CD 3.26Å; D220-P222 WeakPolarHBondContact O-CD 3.28Å; D220-P222 VanDerWaalsContact O-N 3.13Å
221K58.7Low58.5Low183 Ų183151.9 Ų151.980%0.79679%0.793SS**  trans-48.5118.7152.5-93.4171.1164.9170.30106K223K221-K223 PolarHBondContact O-N 3.19Å
222P54.6Low56.4Low120 Ų120147.8 Ų147.878%0.77979%0.794SS**  trans-58.6121.6159.325.5-30.1000106D220D220-P222 VanDerWaalsContact O-CD 3.26Å; D220-P222 WeakPolarHBondContact O-CD 3.28Å; D220-P222 VanDerWaalsContact O-N 3.13Å
223K59.9Low54.1Low186 Ų186142.8 Ų142.881%0.80979%0.79SS**  trans-34.7134.5170-82.4162.4173.5159.30109.3K221 S225K221-K223 PolarHBondContact O-N 3.19Å; K223-S225 PolarHBondContact O-N 3.39Å
224P49.5Very low52Low127 Ų127146.3 Ų146.383%0.82580%0.796SS**  trans-60.4107.816725.6-30.1000106.8S226P224-S226 PolarHBondContact O-N 3.13Å
225S49.7Very low50.3Low109 Ų109144.3 Ų144.376%0.76280%0.795SS**  trans-61.6114.8172.3630000106.3K223 N227K223-S225 PolarHBondContact O-N 3.39Å; S225-N227 PolarHBondContact O-N 2.96Å
226S52.2Low48.9Very low120 Ų120148.5 Ų148.584%0.83981%0.806SS**  trans-59.799.8166.653.10000108.1P224P224-S226 PolarHBondContact O-N 3.13Å
227N41.3Very low47Very low141 Ų141143.9 Ų143.975%0.75480%0.8SS**  trans-121.9101.7160.1-164.3-67.6000108.4S225 K229S225-N227 PolarHBondContact O-N 2.96Å; N227-K229 PolarHBondContact O-N 3.47Å
228T46.7Very low46.1Very low128 Ų128146 Ų14679%0.78580%0.803SS**  trans-48.2119.9161.5-52.10000110
229K44.6Very low45.3Very low178 Ų178146.3 Ų146.377%0.77480%0.799SS**  trans165.4105.8131.8-162.4168.7-170.2177.40111.4N227N227-K229 PolarHBondContact O-N 3.47Å
230N43.3Very low44.2Very low132 Ų132145.3 Ų145.371%0.70680%0.798SS**  trans34.4126.4143.4-50.7-59.4000119.9
231Y31.1Very low43.6Very low232 Ų232143.3 Ų143.391%0.9180%0.801SS**  -175.4143106.6-112.4-92.3000111.6
232T37.8Very low42.8Very low142 Ų142139.6 Ų139.687%0.87181%0.805SS**  trans-74.6148.2-178.8-59.90000113.4
233G35.6Very low42.1Very low63 Ų63137.2 Ų137.265%0.64980%0.802SS**  trans132.899.8156.600000113.5
234E36.8Very low41.2Very low190 Ų190135.1 Ų135.189%0.88881%0.805SS**  64.8116.1101.1-141.6-176.6156.700112.5
235S38.6Very low41Very low110 Ų110133.1 Ų133.177%0.76980%0.799SS**  168.3157.178.833.30000110.4
236Q46.5Very low40.5Very low185 Ų185137.4 Ų137.486%0.86480%0.804SS**  trans-69151.6177.7-59.4-172.7-9.300113.3
237A32.6Very low40.1Very low90 Ų90137.4 Ų137.474%0.74480%0.801SS**  trans-165.2129139.200000112.7
238K46Very low40.1Very low191 Ų191139 Ų13983%0.8380%0.804SS**  trans-66.7137.9169.8-61.5163.8174.8175.40109.8
239H43.6Very low40Very low190 Ų190143.4 Ų143.488%0.8881%0.807SS**  trans-128118.9148.1-80.1-75.9000109.9
240A32.4Very low40.1Very low89 Ų89140 Ų14074%0.73680%0.801SS**  trans-89.7153173.800000110.2
241A34.9Very low40.2Very low104 Ų104140.2 Ų140.286%0.8680%0.798SS**  trans64.2144.3153.900000117.1
242A42Very low40.9Very low105 Ų105136.3 Ų136.387%0.86879%0.792SS**  cis-164.1152.9-4.700000106.2
243G38.2Very low40.8Very low69 Ų69138.3 Ų138.371%0.71179%0.789SS**  trans-168.765.3-179.900000113.6
244T41.2Very low41.3Very low142 Ų142142.7 Ų142.787%0.87180%0.796SS**  trans41.4126.3144.161.80000122.2
245A45.7Very low41.7Very low86 Ų86142.1 Ų142.171%0.71179%0.793SS**  82.377.9127.300000119.9
246F38.7Very low41.8Very low198 Ų198141.6 Ų141.687%0.86879%0.787SS**  trans-152.3130130.7-98.8-81.8000108.3Q248F246-Q248 PolarHBondContact O-N 3.34Å
247P45.1Very low41.6Very low120 Ų120143.9 Ų143.978%0.77979%0.788SS**  trans-71.5101.5170.227.4-27.8000108.1R249P247-R249 PolarHBondContact O-N 3.43Å
248Q41.5Very low42.1Very low175 Ų175147.6 Ų147.682%0.81879%0.79SS**  trans-59.7106.6160.7-77.4178.5-000106.9F246 T250F246-Q248 PolarHBondContact O-N 3.34Å; Q248-T250 PolarHBondContact O-N 2.87Å; Q248-T250 PolarHBondContact O-OG1 2.91Å
249R44.1Very low42Very low221 Ų221143.4 Ų143.483%0.83478%0.783SS**  trans-69.490.3162.3-76.8-179.3110.7133.70.1106.8P247 E251P247-R249 PolarHBondContact O-N 3.43Å; R249-E251 PolarHBondContact O-N 3.07Å
250T47.4Very low41.7Very low106 Ų106137.7 Ų137.765%0.6578%0.775SS**  trans-73.278.2165.6-33.80000107.6Q248 L252Q248-T250 PolarHBondContact O-N 2.87Å; Q248-T250 PolarHBondContact O-OG1 2.91Å; T250-L252 VanDerWaalsContact C-N 3.34Å; T250-L252 HydrophobicContact CG2-CG 4.37Å; T250-L252 PolarHBondContact O-N 3.11Å
251E43.5Very low42.3Very low137 Ų137142 Ų14264%0.6478%0.782SS**  trans-79.993.3161.8-71.3-81.2153.700106.2R249 F253R249-E251 PolarHBondContact O-N 3.07Å; E251-F253 HydrophobicContact CB-CD2 4.43Å; E251-F253 PolarHBondContact O-N 3.31Å
252L47Very low42.4Very low149 Ų149142.3 Ų142.378%0.7878%0.778SS**  trans-6291.6161.3-70.2166.2000107.3T250 L254T250-L252 VanDerWaalsContact C-N 3.34Å; T250-L252 HydrophobicContact CG2-CG 4.37Å; T250-L252 PolarHBondContact O-N 3.11Å; L252-L254 VanDerWaalsContact C-N 3.28Å; L252-L254 PolarHBondContact O-N 2.88Å
253F34.4Very low42.5Very low185 Ų185143.9 Ų143.981%0.81177%0.771SS**  trans-71.694.4164-105.3-91.9000107.8E251 E255E251-F253 HydrophobicContact CB-CD2 4.43Å; E251-F253 PolarHBondContact O-N 3.31Å; F253-E255 PolarHBondContact O-N 2.96Å; F253-E255 VanDerWaalsContact O-N 3.16Å
254L47.9Very low42.9Very low154 Ų154150.8 Ų150.881%0.80678%0.777SS**  trans-61.7107.8158-75.6163.8000107.2L252L252-L254 VanDerWaalsContact C-N 3.28Å; L252-L254 PolarHBondContact O-N 2.88Å
255E44.3Very low43Very low178 Ų178151.7 Ų151.783%0.83278%0.777SS**  trans-61.5128.2170-174.7157.316800109.9F253 R257F253-E255 PolarHBondContact O-N 2.96Å; F253-E255 VanDerWaalsContact O-N 3.16Å; E255-R257 PolarHBondContact O-N 2.85Å; E255-R257 VanDerWaalsContact O-N 3.11Å
256P41.9Very low42.9Very low99 Ų99152.1 Ų152.164%0.64377%0.774SS**  trans-65.2113.9173-2032.2000110.1Q258P256-Q258 PolarHBondContact O-N 3.24Å
257R40.9Very low43.3Very low234 Ų234149.4 Ų149.488%0.88377%0.768SS**  trans-49.1100.9164.1177.4180178147.5-0.7109.8E255E255-R257 PolarHBondContact O-N 2.85Å; E255-R257 VanDerWaalsContact O-N 3.11Å
258Q44.3Very low43.2Very low167 Ų167151.8 Ų151.878%0.7877%0.769SS**  trans-86.4122.6163.1-72.8-63.6-27.400109.2P256P256-Q258 PolarHBondContact O-N 3.24Å
259P43.4Very low43.3Very low104 Ų104150 Ų15068%0.67577%0.77SS**  trans-81.1135.7-178.830.1-29.9000112
260G36Very low43.4Very low69 Ų69143.5 Ų143.571%0.71176%0.763SS**  trans75.594.4135.100000118.7
261M45.1Very low43.1Very low180 Ų180144.9 Ų144.989%0.88777%0.772SS**  41.7122.9126.8-56.4170.972.800120.3
262S37.9Very low42.9Very low111 Ų111144.1 Ų144.178%0.77678%0.782SS**  -166.896.6128.5-168.40000108.7
263L45Very low43.1Very low137 Ų137143.6 Ų143.672%0.71779%0.785SS**  70115.2103.8-95.199.5000115.2
264Y44.8Very low44.2Very low215 Ų215143.5 Ų143.584%0.84379%0.787SS**  trans0.1119.6149.4-83.4-98.7000117.5
265N43.3Very low44.9Very low161 Ų161145.1 Ų145.186%0.86179%0.79SS**  trans-14998.4144.3-86.4-52000103.8
266S43.6Very low45.7Very low94 Ų94143.6 Ų143.666%0.65778%0.783SS**  57.390.559.2-1550000114
267L48.5Very low46.6Very low142 Ų142148 Ų14874%0.74380%0.797SS**  162.5112.3128.7-111.368.6000108.1
268E43.4Very low47.9Very low169 Ų169144.8 Ų144.879%0.7979%0.792SS**  88.7109.180.2-161.8161.7-135.200112.7
269T41.9Very low48.3Very low138 Ų138148.6 Ų148.685%0.84782%0.817SS**  trans-173.291.9154.913.80000106.7
270A46.5Very low48.6Very low84 Ų84150.8 Ų150.869%0.69482%0.824SS**  81.299.292.100000113.4
271T41.8Very low49.2Very low135 Ų135155.1 Ų155.183%0.82883%0.83SS**  trans53.585.7150.365.30000118.6
272S38.5Very low49.5Very low122 Ų122153.7 Ų153.785%0.85383%0.827SS**  trans-94.5105.8145.1-177.50000106.9E274S272-E274 PolarHBondContact O-N 2.98Å; S272-E274 VanDerWaalsContact O-N 3.09Å
273T52.5Low50.1Low137 Ų137156.2 Ų156.284%0.8483%0.83SS**  trans-70101.4174.1-17.70000108
274E56.3Low50.5Low184 Ų184157.4 Ų157.486%0.8684%0.837SS**PPolyproline II helixtrans-65.4116.2164.1177179.7-177.200108.2S272S272-E274 PolarHBondContact O-N 2.98Å; S272-E274 VanDerWaalsContact O-N 3.09Å
275E63.1Low50.9Low187 Ų187153.6 Ų153.687%0.87484%0.836SS**PPolyproline II helixtrans-96.6123.9165.2-174.7177.7166.300107.6
276E60.5Low51.4Low147 Ų147153.1 Ų153.169%0.68784%0.835SS**PPolyproline II helixtrans-65131.2-179.676.7-159.6172.700110.8E278E276-E278 HydrophobicContact CG-CG 4.45Å
277M60.9Low52Low190 Ų190157.6 Ų157.694%0.93685%0.848SS**  trans-94.392158.1-73.8-164.1-77.100106.8
278E67.9Low52.3Low167 Ų167158.9 Ų158.978%0.7886%0.857SS**  trans-67.8139.2163.4-90-170.1155.400109.9E276E276-E278 HydrophobicContact CG-CG 4.45Å
279L54Low53.1Low247 Ų247158 Ų158100%1.29386%0.863SS**  trans-70.30-173.6-70.9162.5000113.8

Retrieved 279 of 279 residues in 50.9 ms (Link to these results)