A0A077Z4Y6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z4Y6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 318 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
1M39.1Very low46.4Very low235 Ų235151.2 Ų151.2100%1.15881%0.811SS**  0139.30-75.6-62.7172.900108.3
2P46.3Very low46.8Very low96 Ų96150.6 Ų150.662%0.62382%0.816SS**  -132.8-173-119.241-25000114.8
3R41.3Very low47.1Very low219 Ų219151.7 Ų151.783%0.82682%0.82SS**  trans78.9147.2153-72.6-178.2-161-144.24.8116.6
4L46.8Very low46.8Very low141 Ų141151.5 Ų151.574%0.73882%0.817SS**  cis-163.1137.77.3-106.1156.4000106.1
5A49.6Very low46.6Very low71 Ų71146.3 Ų146.359%0.58781%0.813SS**  71.3122.1113.200000117.1
6D45.4Very low46.5Very low156 Ų156147.6 Ų147.683%0.83481%0.81SS**  166.1130.7117.5-81-17.7000111.4
7R48.1Very low46.3Very low239 Ų239146.6 Ų146.690%0.90282%0.815SS**  trans16898.3134.8-93.3178.9-174.7-163.81.3112.4
8E47.8Very low46.4Very low193 Ų193143.6 Ų143.690%0.90281%0.812SS**  36.8129.5118.7-65.1-69.2142.100120.1
9G46.5Very low46.5Very low67 Ų67143.3 Ų143.369%0.69181%0.813SS**  trans15593.4146.400000118.6
10S50.1Low46.7Very low121 Ų121145.7 Ų145.785%0.84681%0.814SS**  125.8125129.3-59.50000117
11P49.3Very low46.5Very low125 Ų125149.3 Ų149.381%0.81282%0.815SS**PPolyproline II helixtrans-90.9147.5177.336.5-32.2000112.5
12V51.2Low47.2Very low144 Ų144144 Ų14487%0.87380%0.796SS**PPolyproline II helixtrans-90.9120174-179.30000109.3
13L50.7Low47Very low165 Ų165146.5 Ų146.586%0.86480%0.804SS**PPolyproline II helixtrans-69128.8-179.8-76.6165.1000112.5G15L13-G15 PolarHBondContact O-N 3.32Å
14L43.1Very low47.2Very low149 Ų149141 Ų14178%0.7880%0.799SS**  trans-69.8112.7161.3-112.982.5000109.4
15G43.9Very low47.4Very low74 Ų74139 Ų13976%0.76380%0.797SS**  trans-95.898.7170.300000111.3L13 C17L13-G15 PolarHBondContact O-N 3.32Å; G15-C17 PolarHBondContact O-N 3.27Å
16H44.1Very low47.2Very low166 Ų166142.8 Ų142.877%0.76981%0.807SS**  trans-72.1116.4165.1-72.298.1000109.5A18H16-A18 PolarHBondContact O-N 3.37Å
17C44.1Very low47.4Very low132 Ų132141.1 Ų141.189%0.89281%0.808SS**  trans-85.798.1166.2-79.70000109.3G15G15-C17 PolarHBondContact O-N 3.27Å
18A48.1Very low47Very low91 Ų91138 Ų13875%0.75281%0.809SS**  trans-69.512416700000110.2H16 K20H16-A18 PolarHBondContact O-N 3.37Å; A18-K20 PolarHBondContact O-N 3.27Å
19V48.4Very low46.9Very low138 Ų138133.4 Ų133.484%0.83680%0.804SS**  trans-68.3112.7170.6175.90000108.6
20K49.8Very low46.6Very low191 Ų191136.2 Ų136.283%0.8381%0.813SS**  trans-86.2119.4163.7-78.2-174.8177.5-179.80108.7A18A18-K20 PolarHBondContact O-N 3.27Å
21R41.7Very low46.2Very low223 Ų223139.1 Ų139.184%0.84281%0.814SS**  trans-65131.6162-65.9-176.6-169.498.32.2108
22V55.2Low45.9Very low123 Ų123142.7 Ų142.775%0.74582%0.816SS**  trans-114.5106.7165176.70000105.1
23D41Very low45.1Very low148 Ų148147.2 Ų147.279%0.79182%0.817SS**  trans-80.5122.6163.6-66.8-41.6000107
24S46.3Very low44.7Very low103 Ų103143.3 Ų143.372%0.7280%0.804SS**  trans-151.2110.1167.8-590000108.3
25S50.3Low44.4Very low100 Ų100144 Ų14470%0.69980%0.803SS**  trans-69.8155.8-178.6-390000112.9
26D45.8Very low44.4Very low150 Ų150148.2 Ų148.280%0.80280%0.803SS**  trans69.3107.5152.1-50-28.6000118.6
27S49.1Very low44.4Very low122 Ų122147.1 Ų147.185%0.85380%0.803SS**  -175123.8126.3-73.60000110.7
28D41Very low44.7Very low172 Ų172145.7 Ų145.792%0.9279%0.785SS**  trans-57.1128.1-177.2-58.9-63.5000114.4
29A44.3Very low44.6Very low97 Ų97144.3 Ų144.380%0.80277%0.769SS**  trans-150.196.1157.500000109.3E31A29-E31 PolarHBondContact O-N 3.29Å
30S41.6Very low44.4Very low127 Ų127145.5 Ų145.589%0.88877%0.769SS**  trans-66.1107.2171.854.90000110.9
31E41.8Very low44Very low182 Ų182141.7 Ų141.785%0.8576%0.756SS**  trans-141.299.4163.1-157.5156.4-163.300112.1A29 R33A29-E31 PolarHBondContact O-N 3.29Å; E31-R33 PolarHBondContact O-N 3.42Å
32K42.3Very low44Very low199 Ų199139 Ų13987%0.86575%0.753SS**  trans13.695.6158.8-63.7177.6-177.3175.30116.5S34K32-S34 PolarHBondContact O-N 3.44Å; K32-S34 VanDerWaalsContact O-N 3.08Å
33R33.5Very low43.1Very low239 Ų239140.6 Ų140.690%0.90276%0.757SS**  trans-68.994.6158.5-145.3174.8-158.2-138.24.9108E31 E35E31-R33 PolarHBondContact O-N 3.42Å; R33-E35 PolarHBondContact O-N 3.48Å
34S42.1Very low43.1Very low83 Ų83139.9 Ų139.958%0.5875%0.753SS**  trans-76.4103.8163.356.70000107.5K32 H36K32-S34 PolarHBondContact O-N 3.44Å; K32-S34 VanDerWaalsContact O-N 3.08Å; S34-H36 VanDerWaalsContact C-N 3.34Å; S34-H36 PolarHBondContact O-N 3.1Å
35E38.4Very low42.7Very low164 Ų164140.9 Ų140.977%0.76675%0.749SS**  trans-53.8100.8161.3-84.9168.9149.500108R33 D37R33-E35 PolarHBondContact O-N 3.48Å; E35-D37 VanDerWaalsContact C-N 3.3Å; E35-D37 PolarHBondContact O-N 3.05Å
36H44.2Very low42.1Very low162 Ų162141.6 Ų141.675%0.7574%0.744SS**  trans-81.488.7166-85.6-54.6000106.9S34 I38S34-H36 VanDerWaalsContact C-N 3.34Å; S34-H36 PolarHBondContact O-N 3.1Å; H36-I38 PolarHBondContact O-N 2.88Å; H36-I38 VanDerWaalsContact O-N 3.1Å
37D44.3Very low41.8Very low144 Ų144140.3 Ų140.377%0.7774%0.742SS**  trans-52.6114.2162.8-70.7-34.8000108.3E35 P39E35-D37 VanDerWaalsContact C-N 3.3Å; E35-D37 PolarHBondContact O-N 3.05Å; D37-P39 VanDerWaalsContact O-CD 3.3Å; D37-P39 WeakPolarHBondContact O-CD 3.35Å
38I48.4Very low41.3Very low102 Ų102138.3 Ų138.352%0.52373%0.727SS.*  trans-69.7116168.1-61.1174.8000105.3H36 L40 Y146H36-I38 PolarHBondContact O-N 2.88Å; H36-I38 VanDerWaalsContact O-N 3.1Å; I38-L40 PolarHBondContact O-N 2.98Å; I38-Y146 WeakPolarHBondContact CG2-OH 3.15Å
39P47.2Very low41.2Very low62 Ų62133.7 Ų133.740%0.40372%0.72SS.*  trans-61.9117.2-179.723-30.6000108.8D37 M41D37-P39 VanDerWaalsContact O-CD 3.3Å; D37-P39 WeakPolarHBondContact O-CD 3.35Å; P39-M41 HydrophobicContact CG-CE 4.39Å; P39-M41 PolarHBondContact O-N 3.31Å
40L43.1Very low40.9Very low162 Ų162139.9 Ų139.985%0.84872%0.723SS**  trans-62.387.3166.6-72.2170.5000107.5I38 E42I38-L40 PolarHBondContact O-N 2.98Å; L40-E42 PolarHBondContact O-N 3.43Å; L40-E42 VanDerWaalsContact O-N 3.08Å
41M41.9Very low40.5Very low111 Ų111141.5 Ų141.555%0.54772%0.721SS.*  trans-73.4103.3171.2-65.5-147.6177.600107.6P39 N43P39-M41 HydrophobicContact CG-CE 4.39Å; P39-M41 PolarHBondContact O-N 3.31Å; M41-N43 PolarHBondContact O-N 2.93Å
42E42.6Very low40.4Very low168 Ų168138.4 Ų138.479%0.78572%0.715SS**  trans-50.7134.3175.5-71.5179.5155.200111L40 N44L40-E42 PolarHBondContact O-N 3.43Å; L40-E42 VanDerWaalsContact O-N 3.08Å; E42-N44 PolarHBondContact O-N 3.21Å
43N36.5Very low40.3Very low155 Ų155136.8 Ų136.883%0.82971%0.712SS**  trans-64.774.9-177.4-64.1-56.4000111.8M41 I45M41-N43 PolarHBondContact O-N 2.93Å; N43-I45 PolarHBondContact O-N 2.93Å
44N41.2Very low40.5Very low133 Ų133135.4 Ų135.471%0.71171%0.713SS**  trans-87.7100.6165.4-83.6-32.5000108.6E42 L46E42-N44 PolarHBondContact O-N 3.21Å; N44-L46 PolarHBondContact O-N 3.08Å
45I37.4Very low40.4Very low125 Ų125137.3 Ų137.364%0.64172%0.717SS**  trans-57.883.8167.1-57.6169.1000107.3N43 T47N43-I45 PolarHBondContact O-N 2.93Å; I45-T47 HydrophobicContact CG2-CG2 3.76Å; I45-T47 PolarHBondContact O-N 3.43Å
46L38.5Very low40.7Very low114 Ų114132.5 Ų132.560%0.59771%0.705SS**  trans-7686163.1-76.9165.2000106N44 C48N44-L46 PolarHBondContact O-N 3.08Å; L46-C48 PolarHBondContact O-N 3.16Å
47T39Very low40.6Very low123 Ų123129.9 Ų129.976%0.75571%0.705SS**  trans-60.577.815455.50000107.4I45 G49I45-T47 HydrophobicContact CG2-CG2 3.76Å; I45-T47 PolarHBondContact O-N 3.43Å; T47-G49 PolarHBondContact O-N 3.26Å
48C37.1Very low40.4Very low80 Ų80129.9 Ų129.954%0.54170%0.704SS.*  trans-66.9107.2168.21740000106L46 R50 F105L46-C48 PolarHBondContact O-N 3.16Å; C48-R50 VanDerWaalsContact C-N 3.27Å; C48-R50 PolarHBondContact O-N 3.19Å; C48-F105 HydrophobicContact CB-CZ 4.33Å
49G39.8Very low39.9Very low75 Ų75134 Ų13477%0.77372%0.715SS**  trans-59.683.6-173.800000112.7T47T47-G49 PolarHBondContact O-N 3.26Å
50R37.3Very low39.5Very low228 Ų228138.9 Ų138.986%0.8673%0.732SS**  trans-103.549.1173.6-157.3171.1-168.8170.42110.2C48C48-R50 VanDerWaalsContact C-N 3.27Å; C48-R50 PolarHBondContact O-N 3.19Å
51L33.4Very low39.4Very low161 Ų161140 Ų14084%0.84373%0.733SS**SBendtrans-159.894.8164.5-11080.5000101.4
52T41Very low39.4Very low117 Ų117139 Ų13972%0.71874%0.736SS**SBend-174.740.490.650.40000111.8
53M38.8Very low39.4Very low165 Ų165135.5 Ų135.581%0.81374%0.736SS**SBendtrans-94.4-3.9177.2-73-81-85.400114.1
54F38.5Very low39.8Very low209 Ų209132.2 Ų132.292%0.91773%0.731SS**SBendtrans-95.82.7175.9-112.7-93.6000114.8
55N40.4Very low39.6Very low123 Ų123136.2 Ų136.266%0.65874%0.737SS**SBendtrans-117.623.4172.6-85.9-34000113.2
56A43.9Very low39.8Very low64 Ų64141.4 Ų141.453%0.52975%0.749SS.*SBendtrans-87.2-13.4170.700000113.1
57S41.8Very low39.8Very low107 Ų107144.6 Ų144.675%0.74876%0.758SS**SBendtrans-87.3-5.7179.4179.80000114
58L39.8Very low39.7Very low144 Ų144150.8 Ų150.875%0.75477%0.768SS**SBendtrans-126.314.2-177.9-77.7166.6000113.2
59Y38.5Very low40.3Very low189 Ų189150.8 Ų150.874%0.74177%0.773SS**SBendtrans-124.341.8171.8-123.2-90.2000111.1
60E39.6Very low40.9Very low164 Ų164153.6 Ų153.677%0.76677%0.769SS**SBendtrans-109.88.1167.8-87-172.4159.800112.7
61H41.3Very low41.2Very low186 Ų186150.6 Ų150.686%0.86177%0.771SS**SBendtrans-107.415-175.7-83.674.9000115.9
62S40.9Very low42.3Very low88 Ų88151.2 Ų151.262%0.61577%0.766SS**SBendtrans-123.68.6174.872.40000115.4A64S62-A64 VanDerWaalsContact C-N 3.28Å; S62-A64 PolarHBondContact O-N 3.1Å
63A42.2Very low42.4Very low96 Ų96150 Ų15079%0.79376%0.763SS**  trans-8710.4173.900000113.8Y65A63-Y65 PolarHBondContact O-N 2.76Å
64A45Very low42.6Very low86 Ų86154.4 Ų154.471%0.71177%0.77SS**SBendtrans-86.86.9-178.200000115S62S62-A64 VanDerWaalsContact C-N 3.28Å; S62-A64 PolarHBondContact O-N 3.1Å
65Y37.7Very low43Very low217 Ų217153.2 Ų153.285%0.85177%0.765SS**  trans-134.889.7-179.2-84.8-91000111.9A63A63-Y65 PolarHBondContact O-N 2.76Å
66R42.1Very low43.4Very low234 Ų234158.8 Ų158.888%0.88378%0.776SS**  trans155.4115.5161.4-93.9170.5-172.6163.63.4104.9
67F38Very low44.2Very low180 Ų180162.4 Ų162.479%0.78979%0.787SS**  cis-166.313634.8-149.6-100.7000105A69F67-A69 VanDerWaalsContact C-N 3.27Å; F67-A69 PolarHBondContact O-N 2.84Å
68R37.1Very low45.4Very low253 Ų253166.1 Ų166.196%0.95579%0.79SS**  trans-63.293.7162.8-94.5179.6176.5169.8-1.4107.2
69A50.3Low46.9Very low80 Ų80163 Ų16366%0.66178%0.777SS**  trans-109.889.4169.200000107.9F67F67-A69 VanDerWaalsContact C-N 3.27Å; F67-A69 PolarHBondContact O-N 2.84Å
70I51.9Low48.9Very low134 Ų134156 Ų15669%0.68776%0.756SS**  trans28110.4142.8-54.6168.9000115.3K72I70-K72 HydrophobicContact CG2-CG 4.09Å; I70-K72 PolarHBondContact O-N 3.26Å
71D43.8Very low50.9Low166 Ų166153.8 Ų153.889%0.88875%0.749SS**  trans-4892.6160.8-162.12.5000110.7
72K56.4Low52.8Low174 Ų174151.4 Ų151.476%0.75774%0.736SS**  trans-113.792.9171.7-89.7-177.9-179.9-1800108.6I70I70-K72 HydrophobicContact CG2-CG 4.09Å; I70-K72 PolarHBondContact O-N 3.26Å
73S42.8Very low55Low92 Ų92151.4 Ų151.464%0.64373%0.73SS**  trans41.6102.8145.6670000117.1K75S73-K75 VanDerWaalsContact C-N 3.3Å; S73-K75 PolarHBondContact O-N 2.92Å
74R43.5Very low57.1Low256 Ų256151.6 Ų151.697%0.96672%0.717SS**  trans-1.566.2141.2-66.3177.4172.7-178.3-1.6117.9
75K45.6Very low59Low185 Ų185153.2 Ų153.280%0.80471%0.711SS**  trans-112.192.6148.6-86.2179.7176.1177.10105.2S73 D77S73-K75 VanDerWaalsContact C-N 3.3Å; S73-K75 PolarHBondContact O-N 2.92Å; K75-D77 VanDerWaalsContact C-N 3.31Å; K75-D77 PolarHBondContact O-N 3.31Å
76R50.2Low61.3Low239 Ų239147 Ų14790%0.90269%0.691SS**  trans-60.2104.8161.2-80.8176.3-87.2149.5-5.3104.4F78R76-F78 VanDerWaalsContact C-N 3.32Å; R76-F78 PolarHBondContact O-N 2.74Å
77D60.8Low63.5Low141 Ų141138.7 Ų138.775%0.75467%0.672SS**  trans-51.7107.8166-69.5-33.2000105.5K75 V79K75-D77 VanDerWaalsContact C-N 3.31Å; K75-D77 PolarHBondContact O-N 3.31Å; D77-V79 PolarHBondContact O-N 2.85Å
78F66.2Low66Low184 Ų184137.8 Ų137.881%0.80767%0.668SS**  trans-66.889.4175.1177.1-95.6000105.7R76 S80R76-F78 VanDerWaalsContact C-N 3.32Å; R76-F78 PolarHBondContact O-N 2.74Å; F78-S80 PolarHBondContact O-N 2.79Å
79V71.4Confident68.6Low78 Ų78133.7 Ų133.747%0.47365%0.652SS.*  trans-76.9110.7167.7-176.70000105.2D77 D81 D83 L84D77-V79 PolarHBondContact O-N 2.85Å; V79-D81 PolarHBondContact O-N 3.28Å; V79-D83 HydrophobicContact CG1-CB 3.94Å; V79-L84 HydrophobicContact CB-CD1 4.17Å; V79-L84 HydrophobicContact CG1-CD1 3.88Å; V79-L84 HydrophobicContact CG1-CG 3.77Å
80S80.9Confident70.6Confident43 Ų43137.2 Ų137.230%0.30165%0.653SS.*  trans-54.4136.7175.5-178.30000109F78 F82 D83 L84F78-S80 PolarHBondContact O-N 2.79Å; S80-F82 PolarHBondContact O-N 3.26Å; S80-D83 WeakPolarHBondContact O-CA 3.35Å; S80-D83 WeakPolarHBondContact O-CB 3.49Å; S80-D83 PolarHBondContact O-N 3.08Å; S80-L84 PolarHBondContact O-N 3.06Å
81D80.1Confident72.4Confident118 Ų118133.3 Ų133.363%0.63164%0.64SS**Hα-helixtrans-54.8-27.3176.9-171.130.2000111.4V79 M85V79-D81 PolarHBondContact O-N 3.28Å; D81-M85 VanDerWaalsContact O-CB 3.28Å; D81-M85 WeakPolarHBondContact O-CB 3.27Å; D81-M85 PolarHBondContact O-N 3.36Å
82F82.7Confident74.5Confident135 Ų135129.5 Ų129.559%0.59262%0.617SS**Hα-helixtrans-60.6-45.3169.5-173.4-98.9000113.1S80 M85 M86S80-F82 PolarHBondContact O-N 3.26Å; F82-M85 PolarHBondContact O-N 2.84Å; F82-M86 HydrophobicContact CD1-CG 4.02Å; F82-M86 HydrophobicContact CE1-CG 3.66Å; F82-M86 HydrophobicContact CE2-CG 4.34Å; F82-M86 HydrophobicContact CZ-CG 3.84Å; F82-M86 HydrophobicContact CZ-SD 4.22Å; F82-M86 WeakPolarHBondContact O-CB 3.34Å; F82-M86 VanDerWaalsContact O-CG 3.26Å; F82-M86 WeakPolarHBondContact O-CG 3.24Å; F82-M86 PolarHBondContact O-N 3.5Å
83D87.2Confident76Confident89 Ų89124 Ų12448%0.47660%0.596SS.*Hα-helixtrans-69.2-39.1-179.3-67.1-35.7000111.6V79 S80 M86 A87V79-D83 HydrophobicContact CG1-CB 3.94Å; S80-D83 WeakPolarHBondContact O-CA 3.35Å; S80-D83 WeakPolarHBondContact O-CB 3.49Å; S80-D83 PolarHBondContact O-N 3.08Å; D83-M86 PolarHBondContact O-N 3.16Å; D83-A87 VanDerWaalsContact O-CB 3.24Å; D83-A87 WeakPolarHBondContact O-CB 3.21Å; D83-A87 PolarHBondContact O-N 3.1Å
84L84.9Confident78.2Confident100 Ų100128.2 Ų128.252%0.52460%0.598SS.*Hα-helixtrans-60.5-45.4170.9-89.6149.2000111.4V79 S80 A87 K88V79-L84 HydrophobicContact CB-CD1 4.17Å; V79-L84 HydrophobicContact CG1-CD1 3.88Å; V79-L84 HydrophobicContact CG1-CG 3.77Å; S80-L84 PolarHBondContact O-N 3.06Å; L84-A87 PolarHBondContact O-N 3.44Å; L84-K88 WeakPolarHBondContact O-CB 3Å; L84-K88 PolarHBondContact O-N 2.87Å
85M85.5Confident80.2Confident119 Ų119123 Ų12359%0.58658%0.582SS**Hα-helixtrans-65.1-42.5178-165.2-177.5-55.300111.8D81 F82 K88 R89D81-M85 VanDerWaalsContact O-CB 3.28Å; D81-M85 WeakPolarHBondContact O-CB 3.27Å; D81-M85 PolarHBondContact O-N 3.36Å; F82-M85 PolarHBondContact O-N 2.84Å; M85-K88 PolarHBondContact O-N 3.13Å; M85-R89 WeakPolarHBondContact O-CB 3.43Å; M85-R89 PolarHBondContact O-N 3.05Å
86M86.9Confident82.1Confident87 Ų87118.4 Ų118.443%0.42956%0.56SS.*Hα-helixtrans-66.2-40176.9-75.6-64-77.900112.2F82 D83 R89 K90F82-M86 HydrophobicContact CD1-CG 4.02Å; F82-M86 HydrophobicContact CE1-CG 3.66Å; F82-M86 HydrophobicContact CE2-CG 4.34Å; F82-M86 HydrophobicContact CZ-CG 3.84Å; F82-M86 HydrophobicContact CZ-SD 4.22Å; F82-M86 WeakPolarHBondContact O-CB 3.34Å; F82-M86 VanDerWaalsContact O-CG 3.26Å; F82-M86 WeakPolarHBondContact O-CG 3.24Å; F82-M86 PolarHBondContact O-N 3.5Å; D83-M86 PolarHBondContact O-N 3.16Å; M86-R89 PolarHBondContact O-N 2.88Å; M86-K90 WeakPolarHBondContact O-CB 3.42Å; M86-K90 PolarHBondContact O-N 3.25Å
87A88Confident83.7Confident59 Ų59114.2 Ų114.249%0.48854%0.544SS..Hα-helixtrans-63.3-45.4173.800000111.3D83 L84 R89 K90 A91D83-A87 VanDerWaalsContact O-CB 3.24Å; D83-A87 WeakPolarHBondContact O-CB 3.21Å; D83-A87 PolarHBondContact O-N 3.1Å; L84-A87 PolarHBondContact O-N 3.44Å; A87-R89 PolarHBondContact O-N 2.98Å; A87-K90 PolarHBondContact O-N 3.42Å; A87-A91 WeakPolarHBondContact O-CB 3.13Å; A87-A91 PolarHBondContact O-N 3.36Å
88K90.1Very high84.6Confident161 Ų161114.7 Ų114.770%0.754%0.535SS*.Hα-helixtrans-61-43.7175.8-170.3176.7-179.4179.10111.6L84 M85 A91 E92L84-K88 WeakPolarHBondContact O-CB 3Å; L84-K88 PolarHBondContact O-N 2.87Å; M85-K88 PolarHBondContact O-N 3.13Å; K88-A91 PolarHBondContact O-N 3.17Å; K88-E92 PolarHBondContact O-N 3.11Å
89R92.4Very high85.2Confident167 Ų167112.9 Ų112.963%0.6352%0.523SS*.Hα-helixtrans-66.1-41176.8-171.7168.9179.7154.4-2.1112.4M85 M86 A87 E92 N93M85-R89 WeakPolarHBondContact O-CB 3.43Å; M85-R89 PolarHBondContact O-N 3.05Å; M86-R89 PolarHBondContact O-N 2.88Å; A87-R89 PolarHBondContact O-N 2.98Å; R89-E92 PolarHBondContact O-N 3.4Å; R89-N93 WeakPolarHBondContact O-CB 3.47Å; R89-N93 PolarHBondContact O-N 2.74Å
90K91.2Very high85.5Confident154 Ų154116.8 Ų116.867%0.6753%0.53SS*.Hα-helixtrans-61.6-43.2172.7-91.6179.1176.2172.40111.6M86 A87 R94M86-K90 WeakPolarHBondContact O-CB 3.42Å; M86-K90 PolarHBondContact O-N 3.25Å; A87-K90 PolarHBondContact O-N 3.42Å; K90-R94 PolarHBondContact O-N 3.17Å
91A88.8Confident85.2Confident52 Ų52123.9 Ų123.943%0.4355%0.55SS..Hα-helixtrans-65.3-43.7178.100000112.3A87 K88 R94 K95A87-A91 WeakPolarHBondContact O-CB 3.13Å; A87-A91 PolarHBondContact O-N 3.36Å; K88-A91 PolarHBondContact O-N 3.17Å; A91-R94 WeakPolarHBondContact O-CB 3.45Å; A91-R94 PolarHBondContact O-N 3.42Å; A91-K95 PolarHBondContact O-N 2.97Å; A91-K95 VanDerWaalsContact O-N 3.1Å
92E88.4Confident85.1Confident86 Ų86120.9 Ų120.940%0.40253%0.534SS..Hα-helixtrans-64.5-44176.8-168.4-176.1-176.600112K88 R89 R94 K95 R96K88-E92 PolarHBondContact O-N 3.11Å; R89-E92 PolarHBondContact O-N 3.4Å; E92-R94 VanDerWaalsContact C-N 3.28Å; E92-R94 PolarHBondContact O-N 2.93Å; E92-K95 PolarHBondContact O-N 3.32Å; E92-K95 VanDerWaalsContact O-N 3.16Å; E92-R96 VanDerWaalsContact CD-CZ 3.49Å; E92-R96 WeakPolarHBondContact O-CG 3.43Å; E92-R96 PolarHBondContact O-N 3.21Å; E92-R96 IonicContact OE1-CZ 2.74Å; E92-R96 VanDerWaalsContact OE1-CZ 3.22Å; E92-R96 IonicContact OE1-NE 2.69Å; E92-R96 PolarHBondContact OE1-NE 2.98Å; E92-R96 IonicContact OE1-NH2 3.99Å; E92-R96 PolarHBondContact OE1-NH2 3.03Å; E92-R96 IonicContact OE2-CZ 3.72Å; E92-R96 IonicContact OE2-NH2 3.49Å; E92-R96 PolarHBondContact OE2-NH2 2.95Å
93N88.7Confident84.8Confident59 Ų59122.1 Ų122.132%0.31654%0.535SS..Hα-helixtrans-63.5-32.9176.3-83-9.7000112.6R89 R96 R97R89-N93 WeakPolarHBondContact O-CB 3.47Å; R89-N93 PolarHBondContact O-N 2.74Å; N93-R96 PolarHBondContact O-N 2.94Å; N93-R96 PolarHBondContact OD1-NH1 3.01Å; N93-R97 WeakPolarHBondContact O-CB 3.35Å; N93-R97 WeakPolarHBondContact O-CG 3.48Å; N93-R97 PolarHBondContact O-N 3.46Å
94R88.1Confident84.3Confident180 Ų180122 Ų12268%0.67954%0.535SS*.Hα-helixtrans-64.3-45.9172.1-169.5-174.8-62.1-133.42.4111.2K90 A91 E92 R96 R97 W98K90-R94 PolarHBondContact O-N 3.17Å; A91-R94 WeakPolarHBondContact O-CB 3.45Å; A91-R94 PolarHBondContact O-N 3.42Å; E92-R94 VanDerWaalsContact C-N 3.28Å; E92-R94 PolarHBondContact O-N 2.93Å; R94-R96 VanDerWaalsContact C-N 3.35Å; R94-R96 PolarHBondContact O-N 3.38Å; R94-R97 PolarHBondContact O-N 2.81Å; R94-W98 WeakPolarHBondContact O-CB 3.32Å; R94-W98 PolarHBondContact O-N 3.44Å
95K86Confident83.9Confident146 Ų146121.5 Ų121.564%0.63553%0.529SS*.Hα-helixtrans-62.3-39.4175.2-70-178.5178.5-176.70112.2A91 E92 W98 R99A91-K95 PolarHBondContact O-N 2.97Å; A91-K95 VanDerWaalsContact O-N 3.1Å; E92-K95 PolarHBondContact O-N 3.32Å; E92-K95 VanDerWaalsContact O-N 3.16Å; K95-W98 PolarHBondContact O-N 2.77Å; K95-R99 WeakPolarHBondContact O-CB 3.45Å; K95-R99 WeakPolarHBondContact O-CG 3.36Å; K95-R99 PolarHBondContact O-N 3.16Å
96R85.3Confident83.4Confident90 Ų90120.4 Ų120.434%0.3452%0.524SS..Hα-helixtrans-63.7-44.8174.4-72.5175.4-175.7160.7-5.7111.7E92 N93 R94 R99 R100E92-R96 VanDerWaalsContact CD-CZ 3.49Å; E92-R96 WeakPolarHBondContact O-CG 3.43Å; E92-R96 PolarHBondContact O-N 3.21Å; E92-R96 IonicContact OE1-CZ 2.74Å; E92-R96 VanDerWaalsContact OE1-CZ 3.22Å; E92-R96 IonicContact OE1-NE 2.69Å; E92-R96 PolarHBondContact OE1-NE 2.98Å; E92-R96 IonicContact OE1-NH2 3.99Å; E92-R96 PolarHBondContact OE1-NH2 3.03Å; E92-R96 IonicContact OE2-CZ 3.72Å; E92-R96 IonicContact OE2-NH2 3.49Å; E92-R96 PolarHBondContact OE2-NH2 2.95Å; N93-R96 PolarHBondContact O-N 2.94Å; N93-R96 PolarHBondContact OD1-NH1 3.01Å; R94-R96 VanDerWaalsContact C-N 3.35Å; R94-R96 PolarHBondContact O-N 3.38Å; R96-R99 PolarHBondContact O-N 2.88Å; R96-R100 WeakPolarHBondContact O-CG 3.14Å; R96-R100 PolarHBondContact O-N 3.29Å; R96-R100 VanDerWaalsContact O-N 3.1Å
97R85.1Confident83.1Confident151 Ų151119.1 Ų119.157%0.5752%0.519SS*.Hα-helixtrans-61.1-44.9175.1-80.9-175.8-93.9137.3-12.1112.2N93 R94 R100 R101N93-R97 WeakPolarHBondContact O-CB 3.35Å; N93-R97 WeakPolarHBondContact O-CG 3.48Å; N93-R97 PolarHBondContact O-N 3.46Å; R94-R97 PolarHBondContact O-N 2.81Å; R97-R100 PolarHBondContact O-N 3.45Å; R97-R101 PolarHBondContact O-N 3.08Å; R97-R101 VanDerWaalsContact O-N 3.08Å
98W78Confident82.9Confident150 Ų150120.7 Ų120.757%0.56852%0.519SS*.Hα-helixtrans-61.9-44176179.782.1000112.2R94 K95 R100 R101 N102R94-W98 WeakPolarHBondContact O-CB 3.32Å; R94-W98 PolarHBondContact O-N 3.44Å; K95-W98 PolarHBondContact O-N 2.77Å; W98-R100 VanDerWaalsContact C-N 3.33Å; W98-R100 PolarHBondContact O-N 3.03Å; W98-R101 PolarHBondContact O-N 2.95Å; W98-N102 VanDerWaalsContact CH2-ND2 3.3Å; W98-N102 WeakPolarHBondContact CH2-ND2 3.49Å; W98-N102 WeakPolarHBondContact CZ2-ND2 3.4Å; W98-N102 PolarHBondContact O-N 3.14Å
99R79.8Confident82.5Confident146 Ų146114.9 Ų114.955%0.55150%0.499SS*.Hα-helixtrans-59.9-39.7176-79.5-171.2-74.2139.5-12.4113.1K95 R96 Y103K95-R99 WeakPolarHBondContact O-CB 3.45Å; K95-R99 WeakPolarHBondContact O-CG 3.36Å; K95-R99 PolarHBondContact O-N 3.16Å; R96-R99 PolarHBondContact O-N 2.88Å; R99-Y103 WeakPolarHBondContact O-CB 3.3Å; R99-Y103 PolarHBondContact O-N 2.98Å
100R77.7Confident82.1Confident161 Ų161110 Ų11061%0.60849%0.485SS*.Hα-helixtrans-64.3-50.6175.3-69.8179.7-172.1136.7-1.9111.3R96 R97 W98 N102 Y103 D104R96-R100 WeakPolarHBondContact O-CG 3.14Å; R96-R100 PolarHBondContact O-N 3.29Å; R96-R100 VanDerWaalsContact O-N 3.1Å; R97-R100 PolarHBondContact O-N 3.45Å; W98-R100 VanDerWaalsContact C-N 3.33Å; W98-R100 PolarHBondContact O-N 3.03Å; R100-N102 VanDerWaalsContact C-N 3.34Å; R100-N102 PolarHBondContact O-N 3.27Å; R100-Y103 WeakPolarHBondContact O-CB 3.14Å; R100-Y103 PolarHBondContact O-N 3.06Å; R100-D104 VanDerWaalsContact O-CG 3.24Å; R100-D104 PolarHBondContact O-N 2.73Å
101R75.4Confident81.9Confident191 Ų191106.4 Ų106.472%0.72147%0.474SS*.Hα-helixtrans-59.9-41.5179.3-172.3-175.9-70.2169-7.1113.1R97 W98 Y103 D104 F105R97-R101 PolarHBondContact O-N 3.08Å; R97-R101 VanDerWaalsContact O-N 3.08Å; W98-R101 PolarHBondContact O-N 2.95Å; R101-Y103 VanDerWaalsContact C-N 3.31Å; R101-D104 PolarHBondContact O-N 2.82Å; R101-F105 PolarHBondContact O-N 2.88Å; R101-F105 VanDerWaalsContact O-N 3.07Å
102N77.5Confident81.8Confident55 Ų55109.5 Ų109.529%0.29448%0.478SS..Hα-helixtrans-68.2-33.2176.5-8216.3000112.4W98 R100 I106W98-N102 VanDerWaalsContact CH2-ND2 3.3Å; W98-N102 WeakPolarHBondContact CH2-ND2 3.49Å; W98-N102 WeakPolarHBondContact CZ2-ND2 3.4Å; W98-N102 PolarHBondContact O-N 3.14Å; R100-N102 VanDerWaalsContact C-N 3.34Å; R100-N102 PolarHBondContact O-N 3.27Å; N102-I106 WeakPolarHBondContact O-CB 3.43Å; N102-I106 WeakPolarHBondContact O-CD1 3.17Å; N102-I106 WeakPolarHBondContact O-CG1 3.31Å; N102-I106 PolarHBondContact O-N 2.92Å
103Y75.5Confident81.6Confident161 Ų161106.4 Ų106.463%0.63146%0.463SS*.Hα-helixtrans-64.8-45.7174.8-180-97.2000110.8R99 R100 R101 F105 I106 N107R99-Y103 WeakPolarHBondContact O-CB 3.3Å; R99-Y103 PolarHBondContact O-N 2.98Å; R100-Y103 WeakPolarHBondContact O-CB 3.14Å; R100-Y103 PolarHBondContact O-N 3.06Å; R101-Y103 VanDerWaalsContact C-N 3.31Å; Y103-F105 PolarHBondContact O-N 3.15Å; Y103-I106 PolarHBondContact O-N 3.3Å; Y103-N107 VanDerWaalsContact O-CB 3.3Å; Y103-N107 WeakPolarHBondContact O-CB 3.5Å; Y103-N107 PolarHBondContact O-N 3.17Å
104D77.8Confident81.6Confident87 Ų87107 Ų10747%0.46547%0.467SS..Hα-helixtrans-61.5-45.3177.7-54.1-26.9000111R100 R101 I106 N107 D108R100-D104 VanDerWaalsContact O-CG 3.24Å; R100-D104 PolarHBondContact O-N 2.73Å; R101-D104 PolarHBondContact O-N 2.82Å; D104-I106 PolarHBondContact O-N 3.42Å; D104-N107 PolarHBondContact O-N 3.46Å; D104-D108 WeakPolarHBondContact O-CB 3.46Å; D104-D108 PolarHBondContact O-N 3.11Å
105F74.9Confident81.7Confident89 Ų89102.5 Ų102.539%0.3945%0.453SS..Hα-helixtrans-64.4-40178.5179.2-95.6000114.2C48 R101 Y103 S109C48-F105 HydrophobicContact CB-CZ 4.33Å; R101-F105 PolarHBondContact O-N 2.88Å; R101-F105 VanDerWaalsContact O-N 3.07Å; Y103-F105 PolarHBondContact O-N 3.15Å; F105-S109 PolarHBondContact O-N 2.97Å; F105-S109 PolarHBondContact O-OG 2.8Å
106I75.6Confident81.8Confident96 Ų9696.2 Ų96.249%0.49243%0.426SS..Hα-helixtrans-69.6-43.3177.6-67.7167.6000109.5N102 Y103 D104 S109 D110N102-I106 WeakPolarHBondContact O-CB 3.43Å; N102-I106 WeakPolarHBondContact O-CD1 3.17Å; N102-I106 WeakPolarHBondContact O-CG1 3.31Å; N102-I106 PolarHBondContact O-N 2.92Å; Y103-I106 PolarHBondContact O-N 3.3Å; D104-I106 PolarHBondContact O-N 3.42Å; I106-S109 WeakPolarHBondContact O-CB 3.31Å; I106-S109 PolarHBondContact O-N 3.45Å; I106-D110 PolarHBondContact O-N 3.17Å
107N80.9Confident82Confident61 Ų6192.7 Ų92.733%0.32641%0.414SS..Hα-helixtrans-63.8-45179.9-168.370.4000112.1Y103 D104 S109 D110 D111Y103-N107 VanDerWaalsContact O-CB 3.3Å; Y103-N107 WeakPolarHBondContact O-CB 3.5Å; Y103-N107 PolarHBondContact O-N 3.17Å; D104-N107 PolarHBondContact O-N 3.46Å; N107-S109 PolarHBondContact O-N 3.2Å; N107-D110 PolarHBondContact O-N 2.92Å; N107-D110 VanDerWaalsContact O-N 3.11Å; N107-D111 PolarHBondContact ND2-OD2 3.17Å; N107-D111 WeakPolarHBondContact O-CB 3.45Å; N107-D111 VanDerWaalsContact O-CG 3.29Å; N107-D111 PolarHBondContact O-N 3.4Å
108D83Confident82.3Confident91 Ų9190 Ų9049%0.48741%0.411SS..Hα-helixtrans-59.5-33.7176-68-12000112.2D104 K112D104-D108 WeakPolarHBondContact O-CB 3.46Å; D104-D108 PolarHBondContact O-N 3.11Å; D108-K112 WeakPolarHBondContact O-CG 3.4Å; D108-K112 PolarHBondContact O-N 3.11Å
109S81.8Confident83Confident40 Ų4085.4 Ų85.428%0.2840%0.397SS..Hα-helixtrans-71.7-44.8176.1-57.50000111.1F105 I106 N107 D111 K112 I113F105-S109 PolarHBondContact O-N 2.97Å; F105-S109 PolarHBondContact O-OG 2.8Å; I106-S109 WeakPolarHBondContact O-CB 3.31Å; I106-S109 PolarHBondContact O-N 3.45Å; N107-S109 PolarHBondContact O-N 3.2Å; S109-D111 VanDerWaalsContact C-N 3.33Å; S109-D111 PolarHBondContact O-N 3.23Å; S109-K112 PolarHBondContact O-N 2.73Å; S109-I113 WeakPolarHBondContact O-CD1 3.41Å; S109-I113 VanDerWaalsContact O-CG1 3.27Å; S109-I113 WeakPolarHBondContact O-CG1 3.42Å; S109-I113 PolarHBondContact O-N 2.96Å; S109-I113 VanDerWaalsContact O-N 3.15Å
110D84.6Confident83.5Confident63 Ų6378.7 Ų78.734%0.33737%0.372SS..Hα-helixtrans-64-37.3177.6-72-20.6000111.5I106 N107 I113 N114I106-D110 PolarHBondContact O-N 3.17Å; N107-D110 PolarHBondContact O-N 2.92Å; N107-D110 VanDerWaalsContact O-N 3.11Å; D110-I113 PolarHBondContact O-N 3.44Å; D110-N114 WeakPolarHBondContact O-CB 3.45Å; D110-N114 PolarHBondContact O-N 3.14Å; D110-N114 PolarHBondContact O-ND2 2.92Å
111D87.9Confident84.2Confident80 Ų8073.2 Ų73.243%0.42835%0.354SS..Hα-helixtrans-63-44177.2-72.9-28.7000112N107 S109 I113 N114 E115N107-D111 PolarHBondContact ND2-OD2 3.17Å; N107-D111 WeakPolarHBondContact O-CB 3.45Å; N107-D111 VanDerWaalsContact O-CG 3.29Å; N107-D111 PolarHBondContact O-N 3.4Å; S109-D111 VanDerWaalsContact C-N 3.33Å; S109-D111 PolarHBondContact O-N 3.23Å; D111-I113 VanDerWaalsContact C-N 3.32Å; D111-I113 PolarHBondContact O-N 2.76Å; D111-N114 PolarHBondContact O-N 3.1Å; D111-E115 WeakPolarHBondContact O-CB 3.45Å; D111-E115 PolarHBondContact O-N 2.99Å
112K86Confident85.1Confident117 Ų11771.2 Ų71.251%0.50935%0.351SS..Hα-helixtrans-62.7-39.1174.3-70172.8-175.6179.20112.3D108 S109 E115 L116D108-K112 WeakPolarHBondContact O-CG 3.4Å; D108-K112 PolarHBondContact O-N 3.11Å; S109-K112 PolarHBondContact O-N 2.73Å; K112-E115 PolarHBondContact O-N 3.01Å; K112-L116 WeakPolarHBondContact O-CB 3.44Å; K112-L116 PolarHBondContact O-N 3.5Å
113I84.5Confident85.8Confident20 Ų2068.9 Ų68.910%0.10334%0.34CS..Hα-helixtrans-66.2-41.8176.7-66.2163.9000110.1S109 D110 D111 L116 I117 S151 V153S109-I113 WeakPolarHBondContact O-CD1 3.41Å; S109-I113 VanDerWaalsContact O-CG1 3.27Å; S109-I113 WeakPolarHBondContact O-CG1 3.42Å; S109-I113 PolarHBondContact O-N 2.96Å; S109-I113 VanDerWaalsContact O-N 3.15Å; D110-I113 PolarHBondContact O-N 3.44Å; D111-I113 VanDerWaalsContact C-N 3.32Å; D111-I113 PolarHBondContact O-N 2.76Å; I113-L116 WeakPolarHBondContact O-CB 3.42Å; I113-L116 PolarHBondContact O-N 3.49Å; I113-I117 HydrophobicContact CG2-CD1 3.82Å; I113-I117 HydrophobicContact CG2-CG1 4.47Å; I113-I117 WeakPolarHBondContact O-CB 3.45Å; I113-I117 VanDerWaalsContact O-CG1 3.23Å; I113-I117 WeakPolarHBondContact O-CG1 3.41Å; I113-I117 PolarHBondContact O-N 3.4Å; I113-S151 WeakPolarHBondContact CD1-OG 3.48Å; I113-V153 HydrophobicContact CD1-CG2 3.81Å
114N88.1Confident86.6Confident73 Ų7361.6 Ų61.639%0.3931%0.312SS..Hα-helixtrans-66-40.8177.2-71.4-39.3000112.1D110 D111 I117 N118D110-N114 WeakPolarHBondContact O-CB 3.45Å; D110-N114 PolarHBondContact O-N 3.14Å; D110-N114 PolarHBondContact O-ND2 2.92Å; D111-N114 PolarHBondContact O-N 3.1Å; N114-I117 PolarHBondContact O-N 3.4Å; N114-N118 WeakPolarHBondContact O-CB 3.31Å; N114-N118 PolarHBondContact O-N 2.88Å; N114-N118 PolarHBondContact O-ND2 3.36Å; N114-N118 VanDerWaalsContact O-ND2 3.17Å
115E89.8Confident87.3Confident84 Ų8464.1 Ų64.139%0.39332%0.319SS..Hα-helixtrans-58.8-48.8173.8-173.4-179.2-174.300111.2D111 K112 I117 N118 M119D111-E115 WeakPolarHBondContact O-CB 3.45Å; D111-E115 PolarHBondContact O-N 2.99Å; K112-E115 PolarHBondContact O-N 3.01Å; E115-I117 VanDerWaalsContact C-N 3.34Å; E115-I117 PolarHBondContact O-N 3.24Å; E115-N118 WeakPolarHBondContact O-CB 3.01Å; E115-N118 PolarHBondContact O-N 3.04Å; E115-N118 VanDerWaalsContact O-N 3.17Å; E115-M119 HydrophobicContact CG-CE 4.3Å; E115-M119 WeakPolarHBondContact O-CG 3.37Å; E115-M119 PolarHBondContact O-N 3.19Å
116L88.4Confident88.2Confident14 Ų1461.8 Ų61.87%0.07332%0.316CS..Hα-helixtrans-55.9-48.6173.6174.367.5000111.9K112 I113 N118 M119 M120 L149 Y156K112-L116 WeakPolarHBondContact O-CB 3.44Å; K112-L116 PolarHBondContact O-N 3.5Å; I113-L116 WeakPolarHBondContact O-CB 3.42Å; I113-L116 PolarHBondContact O-N 3.49Å; L116-N118 PolarHBondContact O-N 2.93Å; L116-M119 HydrophobicContact CD1-CE 4.36Å; L116-M119 PolarHBondContact O-N 3.2Å; L116-M119 VanDerWaalsContact O-N 3.15Å; L116-M120 HydrophobicContact CD1-CG 4.04Å; L116-M120 HydrophobicContact CD1-SD 3.96Å; L116-M120 HydrophobicContact CD2-SD 4.38Å; L116-M120 HydrophobicContact CG-CG 4.38Å; L116-M120 HydrophobicContact CG-SD 3.97Å; L116-M120 WeakPolarHBondContact O-CB 3.47Å; L116-M120 WeakPolarHBondContact O-CG 3.47Å; L116-M120 PolarHBondContact O-N 3.39Å; L116-L149 HydrophobicContact CD1-CD1 3.32Å; L116-L149 HydrophobicContact CD2-CB 3.66Å; L116-L149 HydrophobicContact CD2-CD1 3.2Å; L116-L149 HydrophobicContact CD2-CD2 4.19Å; L116-L149 HydrophobicContact CD2-CG 3.82Å; L116-L149 HydrophobicContact CG-CD1 3.79Å; L116-Y156 HydrophobicContact CD2-CD2 4.1Å; L116-Y156 HydrophobicContact CD2-CE2 3.66Å; L116-Y156 HydrophobicContact CG-CE2 4.48Å
117I89Confident89Confident17 Ų1757.3 Ų57.39%0.08729%0.293CS..Hα-helixtrans-58.7-40.4-179.8-73.6165.8000110.5I113 N114 E115 N121 P155 Y156 L159I113-I117 HydrophobicContact CG2-CD1 3.82Å; I113-I117 HydrophobicContact CG2-CG1 4.47Å; I113-I117 WeakPolarHBondContact O-CB 3.45Å; I113-I117 VanDerWaalsContact O-CG1 3.23Å; I113-I117 WeakPolarHBondContact O-CG1 3.41Å; I113-I117 PolarHBondContact O-N 3.4Å; N114-I117 PolarHBondContact O-N 3.4Å; E115-I117 VanDerWaalsContact C-N 3.34Å; E115-I117 PolarHBondContact O-N 3.24Å; I117-N121 VanDerWaalsContact O-CB 3.31Å; I117-N121 WeakPolarHBondContact O-CB 3.43Å; I117-N121 PolarHBondContact O-N 3.02Å; I117-N121 PolarHBondContact O-ND2 3.17Å; I117-N121 VanDerWaalsContact O-ND2 3.11Å; I117-P155 HydrophobicContact CD1-CB 3.95Å; I117-P155 HydrophobicContact CD1-CG 4.01Å; I117-Y156 HydrophobicContact CG1-CD2 4.31Å; I117-L159 HydrophobicContact CB-CD2 4.15Å; I117-L159 HydrophobicContact CG1-CD2 3.96Å; I117-L159 HydrophobicContact CG2-CD2 4.17Å
118N91.7Very high89.6Confident93 Ų9357.9 Ų57.950%0.49729%0.291SS..Hα-helixtrans-65.7-44.3176.8-71.4-30.9000112N114 E115 L116 N121 K122N114-N118 WeakPolarHBondContact O-CB 3.31Å; N114-N118 PolarHBondContact O-N 2.88Å; N114-N118 PolarHBondContact O-ND2 3.36Å; N114-N118 VanDerWaalsContact O-ND2 3.17Å; E115-N118 WeakPolarHBondContact O-CB 3.01Å; E115-N118 PolarHBondContact O-N 3.04Å; E115-N118 VanDerWaalsContact O-N 3.17Å; L116-N118 PolarHBondContact O-N 2.93Å; N118-N121 PolarHBondContact O-N 2.9Å; N118-K122 VanDerWaalsContact O-CG 3.31Å; N118-K122 WeakPolarHBondContact O-CG 3.08Å; N118-K122 PolarHBondContact O-N 3.4Å
119M92.1Very high90.1Very high55 Ų5557.3 Ų57.327%0.27129%0.29SS..Hα-helixtrans-61.1-47.3176.2-69.9-169.8-69.900111.8E115 L116 N121 K122 A123 F143E115-M119 HydrophobicContact CG-CE 4.3Å; E115-M119 WeakPolarHBondContact O-CG 3.37Å; E115-M119 PolarHBondContact O-N 3.19Å; L116-M119 HydrophobicContact CD1-CE 4.36Å; L116-M119 PolarHBondContact O-N 3.2Å; L116-M119 VanDerWaalsContact O-N 3.15Å; M119-N121 PolarHBondContact O-N 3.27Å; M119-K122 WeakPolarHBondContact O-CB 3.5Å; M119-K122 PolarHBondContact O-N 3.32Å; M119-A123 PolarHBondContact O-N 3.19Å; M119-F143 HydrophobicContact CB-CE1 4.06Å; M119-F143 HydrophobicContact CB-CZ 4.21Å
120M91.6Very high90.6Very high4 Ų456.4 Ų56.42%0.0228%0.284CS..Hα-helixtrans-65.9-36.3178.6-73.7-176.669.900112.7L116 A123 A124 F143 Y156 L159 L160 W163L116-M120 HydrophobicContact CD1-CG 4.04Å; L116-M120 HydrophobicContact CD1-SD 3.96Å; L116-M120 HydrophobicContact CD2-SD 4.38Å; L116-M120 HydrophobicContact CG-CG 4.38Å; L116-M120 HydrophobicContact CG-SD 3.97Å; L116-M120 WeakPolarHBondContact O-CB 3.47Å; L116-M120 WeakPolarHBondContact O-CG 3.47Å; L116-M120 PolarHBondContact O-N 3.39Å; M120-A123 PolarHBondContact O-N 3.03Å; M120-A124 PolarHBondContact O-N 3.14Å; M120-F143 HydrophobicContact CG-CD1 3.91Å; M120-F143 HydrophobicContact CG-CE1 4.19Å; M120-F143 HydrophobicContact CG-CG 4.36Å; M120-Y156 HydrophobicContact CE-CE2 4.29Å; M120-Y156 HydrophobicContact SD-CE2 3.66Å; M120-L159 HydrophobicContact CB-CD1 4.15Å; M120-L159 HydrophobicContact CB-CD2 3.51Å; M120-L159 HydrophobicContact CB-CG 4.24Å; M120-L159 HydrophobicContact CE-CD2 3.98Å; M120-L159 HydrophobicContact CE-CG 4.39Å; M120-L159 HydrophobicContact CG-CD2 4.19Å; M120-L159 HydrophobicContact SD-CD2 3.71Å; M120-L160 HydrophobicContact CE-CD2 4.44Å; M120-W163 HydrophobicContact CB-CZ2 3.74Å; M120-W163 HydrophobicContact CE-CD2 4.08Å; M120-W163 HydrophobicContact CE-CE3 4.29Å; M120-W163 HydrophobicContact CE-CH2 4Å; M120-W163 HydrophobicContact CE-CZ2 3.72Å; M120-W163 HydrophobicContact CE-CZ3 4.26Å; M120-W163 HydrophobicContact CG-CZ2 3.97Å; M120-W163 WeakPolarHBondContact O-CZ2 3.11Å; M120-W163 PolarHBondContact O-NE1 3.48Å; M120-W163 VanDerWaalsContact O-NE1 3.11Å
121N92.3Very high90.9Very high46 Ų4655 Ų5525%0.24628%0.277CS..Hα-helixtrans-64.7-41.2172.5-90-48.4000112.1I117 N118 M119 A123 A124 K125 L159I117-N121 VanDerWaalsContact O-CB 3.31Å; I117-N121 WeakPolarHBondContact O-CB 3.43Å; I117-N121 PolarHBondContact O-N 3.02Å; I117-N121 PolarHBondContact O-ND2 3.17Å; I117-N121 VanDerWaalsContact O-ND2 3.11Å; N118-N121 PolarHBondContact O-N 2.9Å; M119-N121 PolarHBondContact O-N 3.27Å; N121-A123 VanDerWaalsContact C-N 3.32Å; N121-A124 PolarHBondContact O-N 3.38Å; N121-K125 WeakPolarHBondContact O-CB 3.24Å; N121-K125 VanDerWaalsContact O-CG 3.31Å; N121-K125 WeakPolarHBondContact O-CG 3.42Å; N121-K125 PolarHBondContact O-N 3.4Å; N121-L159 HydrophobicContact CB-CD1 4.41Å; N121-L159 VanDerWaalsContact OD1-CD1 3.26Å; N121-L159 WeakPolarHBondContact OD1-CD1 3.49Å
122K93.1Very high91.1Very high149 Ų14956 Ų5665%0.64829%0.285SS*.Hα-helixtrans-60.2-44.5174.2-73172-179.4-178.80110.7N118 M119 K125 A126N118-K122 VanDerWaalsContact O-CG 3.31Å; N118-K122 WeakPolarHBondContact O-CG 3.08Å; N118-K122 PolarHBondContact O-N 3.4Å; M119-K122 WeakPolarHBondContact O-CB 3.5Å; M119-K122 PolarHBondContact O-N 3.32Å; K122-K125 PolarHBondContact O-N 3.09Å; K122-A126 WeakPolarHBondContact O-CB 3.49Å; K122-A126 PolarHBondContact O-N 3.14Å
123A93.2Very high91.4Very high7 Ų756.3 Ų56.36%0.05829%0.289CS..Hα-helixtrans-63.3-43.3177.300000113.1M119 M120 N121 K125 A126 D127 F143 W163M119-A123 PolarHBondContact O-N 3.19Å; M120-A123 PolarHBondContact O-N 3.03Å; N121-A123 VanDerWaalsContact C-N 3.32Å; A123-K125 VanDerWaalsContact C-N 3.34Å; A123-K125 PolarHBondContact O-N 3.27Å; A123-A126 PolarHBondContact O-N 3.04Å; A123-D127 PolarHBondContact O-N 3.11Å; A123-F143 HydrophobicContact CB-CD2 3.9Å; A123-F143 HydrophobicContact CB-CE2 3.3Å; A123-F143 HydrophobicContact CB-CZ 4.04Å; A123-W163 HydrophobicContact CB-CZ2 4.26Å
124A92.7Very high91.7Very high7 Ų766.6 Ų66.66%0.05833%0.326CS..Hα-helixtrans-61.9-41.3175.300000112.4M120 N121 R128 K140M120-A124 PolarHBondContact O-N 3.14Å; N121-A124 PolarHBondContact O-N 3.38Å; A124-R128 WeakPolarHBondContact O-CG 3.47Å; A124-R128 PolarHBondContact O-N 3Å; A124-R128 VanDerWaalsContact O-N 3.1Å; A124-K140 HydrophobicContact CB-CD 4.39Å
125K92.3Very high91.9Very high140 Ų14066.1 Ų66.161%0.60933%0.326SS*.Hα-helixtrans-66.2-44.3175.6-72174.2-177.2-1800111.9N121 K122 A123 D127 R128 V129N121-K125 WeakPolarHBondContact O-CB 3.24Å; N121-K125 VanDerWaalsContact O-CG 3.31Å; N121-K125 WeakPolarHBondContact O-CG 3.42Å; N121-K125 PolarHBondContact O-N 3.4Å; K122-K125 PolarHBondContact O-N 3.09Å; A123-K125 VanDerWaalsContact C-N 3.34Å; A123-K125 PolarHBondContact O-N 3.27Å; K125-D127 VanDerWaalsContact C-N 3.32Å; K125-D127 PolarHBondContact O-N 3.47Å; K125-R128 WeakPolarHBondContact O-CB 3.45Å; K125-R128 PolarHBondContact O-N 3.08Å; K125-R128 VanDerWaalsContact O-N 3.16Å; K125-V129 WeakPolarHBondContact O-CG2 3.38Å; K125-V129 PolarHBondContact O-N 2.87Å
126A93.5Very high91.9Very high40 Ų4067.1 Ų67.133%0.33134%0.34SS..Hα-helixtrans-57.3-47176.400000111K122 A123 R128 V129 S130K122-A126 WeakPolarHBondContact O-CB 3.49Å; K122-A126 PolarHBondContact O-N 3.14Å; A123-A126 PolarHBondContact O-N 3.04Å; A126-R128 VanDerWaalsContact C-N 3.32Å; A126-R128 PolarHBondContact O-N 3.46Å; A126-V129 WeakPolarHBondContact O-CB 3.49Å; A126-V129 PolarHBondContact O-N 3.24Å; A126-V129 VanDerWaalsContact O-N 3.08Å; A126-S130 PolarHBondContact O-N 3.4Å; A126-S130 PolarHBondContact O-OG 3.24Å
127D93.5Very high92Very high2 Ų268 Ų681%0.01135%0.349CS..Hα-helixtrans-64.1-34.1177.1-82.26.8000113.5A123 K125 V129 S130 N131 A137 S139 K140A123-D127 PolarHBondContact O-N 3.11Å; K125-D127 VanDerWaalsContact C-N 3.32Å; K125-D127 PolarHBondContact O-N 3.47Å; D127-V129 VanDerWaalsContact C-N 3.32Å; D127-S130 PolarHBondContact O-N 3.5Å; D127-N131 VanDerWaalsContact O-CB 3.24Å; D127-N131 WeakPolarHBondContact O-CB 3.23Å; D127-N131 PolarHBondContact O-N 3.21Å; D127-A137 HydrophobicContact CB-CB 3.88Å; D127-S139 WeakPolarHBondContact OD1-CA 3.47Å; D127-S139 WeakPolarHBondContact OD1-CB 3.46Å; D127-S139 PolarHBondContact OD1-N 3.43Å; D127-S139 PolarHBondContact OD1-OG 3.46Å; D127-K140 HydrophobicContact CB-CG 4.43Å; D127-K140 WeakPolarHBondContact OD2-CB 3.35Å; D127-K140 WeakPolarHBondContact OD2-CG 3.44Å; D127-K140 PolarHBondContact OD2-N 3.37Å; D127-K140 IonicContact OD2-NZ 2.74Å; D127-K140 PolarHBondContact OD2-NZ 2.74Å
128R92Very high92.1Very high74 Ų7472 Ų7228%0.27937%0.37SS..Hα-helixtrans-62.3-42172.3-76.1-178.9174.2167.93.8111.1A124 K125 A126 V132 E162A124-R128 WeakPolarHBondContact O-CG 3.47Å; A124-R128 PolarHBondContact O-N 3Å; A124-R128 VanDerWaalsContact O-N 3.1Å; K125-R128 WeakPolarHBondContact O-CB 3.45Å; K125-R128 PolarHBondContact O-N 3.08Å; K125-R128 VanDerWaalsContact O-N 3.16Å; A126-R128 VanDerWaalsContact C-N 3.32Å; A126-R128 PolarHBondContact O-N 3.46Å; R128-V132 WeakPolarHBondContact O-CG2 3.42Å; R128-V132 PolarHBondContact O-N 3.28Å; R128-V132 VanDerWaalsContact O-N 3.13Å; R128-E162 IonicContact CZ-OE1 3.15Å; R128-E162 IonicContact NH1-OE1 2.77Å; R128-E162 PolarHBondContact NH1-OE1 2.97Å; R128-E162 IonicContact NH2-OE1 2.8Å; R128-E162 PolarHBondContact NH2-OE1 3.05Å
129V93.2Very high92Very high78 Ų7869.4 Ų69.447%0.47336%0.359SS..Hα-helixtrans-65.8-48.5176.6175.20000110.7K125 A126 D127 N131 V132 Q133K125-V129 WeakPolarHBondContact O-CG2 3.38Å; K125-V129 PolarHBondContact O-N 2.87Å; A126-V129 WeakPolarHBondContact O-CB 3.49Å; A126-V129 PolarHBondContact O-N 3.24Å; A126-V129 VanDerWaalsContact O-N 3.08Å; D127-V129 VanDerWaalsContact C-N 3.32Å; V129-N131 VanDerWaalsContact C-N 3.26Å; V129-N131 PolarHBondContact O-N 2.91Å; V129-V132 PolarHBondContact O-N 2.87Å; V129-V132 VanDerWaalsContact O-N 3.16Å; V129-Q133 HydrophobicContact CG1-CG 4.4Å; V129-Q133 WeakPolarHBondContact O-CB 3.37Å; V129-Q133 WeakPolarHBondContact O-CG 3.45Å; V129-Q133 PolarHBondContact O-N 2.84Å
130S92.5Very high92Very high22 Ų2267.4 Ų67.415%0.15435%0.349CS..Hα-helixtrans-56.8-41.3176.7-64.20000111.9A126 D127 Q133 R134 T135A126-S130 PolarHBondContact O-N 3.4Å; A126-S130 PolarHBondContact O-OG 3.24Å; D127-S130 PolarHBondContact O-N 3.5Å; S130-Q133 CarbonylContact O-C 3.6Å; S130-Q133 PolarHBondContact O-N 3.29Å; S130-R134 PolarHBondContact O-N 3.23Å; S130-T135 CarbonylContact C-O 3.58Å; S130-T135 VanDerWaalsContact CA-OG1 3.27Å; S130-T135 WeakPolarHBondContact CA-OG1 3.44Å; S130-T135 WeakPolarHBondContact CB-OG1 3.46Å; S130-T135 PolarHBondContact O-N 2.95Å; S130-T135 PolarHBondContact O-OG1 3.27Å; S130-T135 VanDerWaalsContact O-OG1 3.1Å
131N91.5Very high91.8Very high32 Ų3270.4 Ų70.417%0.17136%0.363CS..Hα-helixtrans-64.3-43.2177.4-171.952.6000113D127 V129 Q133 R134 L167 D169D127-N131 VanDerWaalsContact O-CB 3.24Å; D127-N131 WeakPolarHBondContact O-CB 3.23Å; D127-N131 PolarHBondContact O-N 3.21Å; V129-N131 VanDerWaalsContact C-N 3.26Å; V129-N131 PolarHBondContact O-N 2.91Å; N131-Q133 VanDerWaalsContact C-N 3.27Å; N131-Q133 PolarHBondContact O-N 3.24Å; N131-R134 PolarHBondContact O-N 3.26Å; N131-L167 HydrophobicContact CB-CD2 3.78Å; N131-L167 WeakPolarHBondContact ND2-CB 3.26Å; N131-D169 PolarHBondContact ND2-OD1 2.84Å
132V92.1Very high91.5Very high101 Ų10170.8 Ų70.861%0.61237%0.369SS*.Hα-helixtrans-62.4-38.9174.1172.80000110.9R128 V129 R134 P168R128-V132 WeakPolarHBondContact O-CG2 3.42Å; R128-V132 PolarHBondContact O-N 3.28Å; R128-V132 VanDerWaalsContact O-N 3.13Å; V129-V132 PolarHBondContact O-N 2.87Å; V129-V132 VanDerWaalsContact O-N 3.16Å; V132-R134 PolarHBondContact O-N 3.09Å; V132-P168 HydrophobicContact CG2-CB 4Å; V132-P168 HydrophobicContact CG2-CG 3.93Å
133Q92.3Very high91Very high124 Ų12465.2 Ų65.258%0.57935%0.345SS*.THydrogen-bonded Turntrans-74.7-3.3175.8-68174-11.100113.6V129 S130 N131 T135V129-Q133 HydrophobicContact CG1-CG 4.4Å; V129-Q133 WeakPolarHBondContact O-CB 3.37Å; V129-Q133 WeakPolarHBondContact O-CG 3.45Å; V129-Q133 PolarHBondContact O-N 2.84Å; S130-Q133 CarbonylContact O-C 3.6Å; S130-Q133 PolarHBondContact O-N 3.29Å; N131-Q133 VanDerWaalsContact C-N 3.27Å; N131-Q133 PolarHBondContact O-N 3.24Å; Q133-T135 HydrophobicContact CB-CG2 4.23Å; Q133-T135 PolarHBondContact O-N 3.11Å
134R90.5Very high90.4Very high237 Ų23766.6 Ų66.689%0.89435%0.351SS*.THydrogen-bonded Turntrans55.831.9-174.7-56.5-178.9174176.9-1.8113.5S130 N131 V132S130-R134 PolarHBondContact O-N 3.23Å; N131-R134 PolarHBondContact O-N 3.26Å; V132-R134 PolarHBondContact O-N 3.09Å
135T92Very high89.6Confident63 Ų6373.4 Ų73.439%0.38739%0.387SS..SBendtrans-100.1153.4172.257.90000109.8S130 Q133 A137S130-T135 CarbonylContact C-O 3.58Å; S130-T135 VanDerWaalsContact CA-OG1 3.27Å; S130-T135 WeakPolarHBondContact CA-OG1 3.44Å; S130-T135 WeakPolarHBondContact CB-OG1 3.46Å; S130-T135 PolarHBondContact O-N 2.95Å; S130-T135 PolarHBondContact O-OG1 3.27Å; S130-T135 VanDerWaalsContact O-OG1 3.1Å; Q133-T135 HydrophobicContact CB-CG2 4.23Å; Q133-T135 PolarHBondContact O-N 3.11Å; T135-A137 PolarHBondContact O-N 3.45Å
136P90.3Very high88.6Confident104 Ų10471.3 Ų71.368%0.67538%0.376SS*.  trans-61.6124.5-179.924.8-34.2000111.4L138P136-L138 HydrophobicContact CB-CG 4.43Å; P136-L138 PolarHBondContact O-N 3.28Å
137A90.2Very high86.9Confident32 Ų3272.8 Ų72.826%0.26439%0.388SS..  trans-92.592.5-178.300000110.8D127 T135D127-A137 HydrophobicContact CB-CB 3.88Å; T135-A137 PolarHBondContact O-N 3.45Å
138L90.6Very high85.2Confident102 Ų10282.2 Ų82.253%0.53443%0.425SS..  trans-104.9-6.4-174.5-57.6178.2000113.5P136 K140 Q141 S142P136-L138 HydrophobicContact CB-CG 4.43Å; P136-L138 PolarHBondContact O-N 3.28Å; L138-K140 PolarHBondContact O-N 3.31Å; L138-Q141 VanDerWaalsContact CD2-OE1 3.27Å; L138-Q141 PolarHBondContact O-N 3.44Å; L138-Q141 VanDerWaalsContact O-N 3.11Å; L138-S142 PolarHBondContact O-N 3.32Å
139S90.8Very high83.5Confident39 Ų3982 Ų8227%0.27343%0.429SS..THydrogen-bonded Turntrans-67.6-35.6-171.3-32.40000111.8D127 S142 F143D127-S139 WeakPolarHBondContact OD1-CA 3.47Å; D127-S139 WeakPolarHBondContact OD1-CB 3.46Å; D127-S139 PolarHBondContact OD1-N 3.43Å; D127-S139 PolarHBondContact OD1-OG 3.46Å; S139-S142 PolarHBondContact O-OG 3.43Å; S139-F143 WeakPolarHBondContact O-CD2 3.21Å; S139-F143 WeakPolarHBondContact O-CE2 3.35Å
140K90.9Very high81.8Confident12 Ų1281.8 Ų81.85%0.05243%0.431CS..THydrogen-bonded Turntrans-70.4-34.3173.5-74.4-170.3-57.2-61.70112.3A124 D127 L138 S142 F143 W163 V177A124-K140 HydrophobicContact CB-CD 4.39Å; D127-K140 HydrophobicContact CB-CG 4.43Å; D127-K140 WeakPolarHBondContact OD2-CB 3.35Å; D127-K140 WeakPolarHBondContact OD2-CG 3.44Å; D127-K140 PolarHBondContact OD2-N 3.37Å; D127-K140 IonicContact OD2-NZ 2.74Å; D127-K140 PolarHBondContact OD2-NZ 2.74Å; L138-K140 PolarHBondContact O-N 3.31Å; K140-S142 VanDerWaalsContact C-N 3.31Å; K140-S142 PolarHBondContact O-N 3.01Å; K140-F143 PolarHBondContact O-N 3.43Å; K140-W163 HydrophobicContact CB-CE3 4.08Å; K140-W163 HydrophobicContact CB-CH2 3.68Å; K140-W163 HydrophobicContact CB-CZ2 4.33Å; K140-W163 HydrophobicContact CB-CZ3 3.55Å; K140-W163 HydrophobicContact CD-CD2 3.7Å; K140-W163 HydrophobicContact CD-CE3 3.77Å; K140-W163 HydrophobicContact CD-CG 4.1Å; K140-W163 HydrophobicContact CD-CH2 4.4Å; K140-W163 HydrophobicContact CD-CZ2 4.38Å; K140-W163 HydrophobicContact CD-CZ3 4.13Å; K140-W163 HydrophobicContact CG-CD2 4.03Å; K140-W163 HydrophobicContact CG-CE3 3.95Å; K140-W163 HydrophobicContact CG-CH2 3.68Å; K140-W163 HydrophobicContact CG-CZ2 3.8Å; K140-W163 HydrophobicContact CG-CZ3 3.77Å; K140-W163 WeakPolarHBondContact O-CH2 3.48Å; K140-W163 WeakPolarHBondContact O-CZ3 3.46Å; K140-V177 HydrophobicContact CB-CG2 4.03Å; K140-V177 HydrophobicContact CD-CG1 4.36Å
141Q87.7Confident80.3Confident67 Ų6783.7 Ų83.731%0.31344%0.444SS..G310 helixtrans-67.2-31.2-177.5-71.9-176.9-23.100112.5L138 F143 L144 V177L138-Q141 VanDerWaalsContact CD2-OE1 3.27Å; L138-Q141 PolarHBondContact O-N 3.44Å; L138-Q141 VanDerWaalsContact O-N 3.11Å; Q141-F143 PolarHBondContact O-N 2.9Å; Q141-F143 VanDerWaalsContact O-N 3.17Å; Q141-L144 HydrophobicContact CB-CD1 4.26Å; Q141-L144 HydrophobicContact CG-CD1 4.31Å; Q141-L144 WeakPolarHBondContact O-CB 2.69Å; Q141-L144 VanDerWaalsContact O-CG 3.32Å; Q141-L144 WeakPolarHBondContact O-CG 3.49Å; Q141-L144 PolarHBondContact O-N 2.89Å; Q141-L144 VanDerWaalsContact O-N 3.17Å; Q141-V177 HydrophobicContact CG-CG2 4.19Å
142S86.2Confident78.9Confident55 Ų5583.6 Ų83.639%0.38544%0.444SS..G310 helixtrans-62.4-22.6177.265.80000113.6L138 S139 K140L138-S142 PolarHBondContact O-N 3.32Å; S139-S142 PolarHBondContact O-OG 3.43Å; K140-S142 VanDerWaalsContact C-N 3.31Å; K140-S142 PolarHBondContact O-N 3.01Å
143F83.8Confident78.1Confident31 Ų3181 Ų8114%0.13643%0.428CS..G310 helixtrans-83.9-11.5179.8-70.3-91.7000113.9M119 M120 A123 S139 K140 Q141 N145 Y146 W163M119-F143 HydrophobicContact CB-CE1 4.06Å; M119-F143 HydrophobicContact CB-CZ 4.21Å; M120-F143 HydrophobicContact CG-CD1 3.91Å; M120-F143 HydrophobicContact CG-CE1 4.19Å; M120-F143 HydrophobicContact CG-CG 4.36Å; A123-F143 HydrophobicContact CB-CD2 3.9Å; A123-F143 HydrophobicContact CB-CE2 3.3Å; A123-F143 HydrophobicContact CB-CZ 4.04Å; S139-F143 WeakPolarHBondContact O-CD2 3.21Å; S139-F143 WeakPolarHBondContact O-CE2 3.35Å; K140-F143 PolarHBondContact O-N 3.43Å; Q141-F143 PolarHBondContact O-N 2.9Å; Q141-F143 VanDerWaalsContact O-N 3.17Å; F143-N145 PolarHBondContact O-N 2.94Å; F143-N145 VanDerWaalsContact O-N 3.14Å; F143-Y146 WeakPolarHBondContact O-CB 3.21Å; F143-Y146 PolarHBondContact O-N 3.23Å; F143-W163 HydrophobicContact CB-CH2 3.79Å; F143-W163 HydrophobicContact CB-CZ3 4.43Å; F143-W163 AromaticContact CD2-CH2 3.94Å; F143-W163 HydrophobicContact CD2-CH2 3.94Å; F143-W163 HydrophobicContact CD2-CZ2 4.42Å; F143-W163 HydrophobicContact CG-CH2 4.02Å
144L80.4Confident77.4Confident36 Ų3679.5 Ų79.519%0.18843%0.429CS..THydrogen-bonded Turntrans-64.4-23.8-173.1-61.8174.1000113.3Q141 Y146 E176 V177 F180Q141-L144 HydrophobicContact CB-CD1 4.26Å; Q141-L144 HydrophobicContact CG-CD1 4.31Å; Q141-L144 WeakPolarHBondContact O-CB 2.69Å; Q141-L144 VanDerWaalsContact O-CG 3.32Å; Q141-L144 WeakPolarHBondContact O-CG 3.49Å; Q141-L144 PolarHBondContact O-N 2.89Å; Q141-L144 VanDerWaalsContact O-N 3.17Å; L144-Y146 VanDerWaalsContact C-N 3.29Å; L144-Y146 PolarHBondContact O-N 2.87Å; L144-E176 HydrophobicContact CD1-CB 3.53Å; L144-V177 HydrophobicContact CD1-CG2 4.41Å; L144-V177 HydrophobicContact CD2-CG2 4.3Å; L144-F180 HydrophobicContact CD2-CB 3.51Å; L144-F180 HydrophobicContact CD2-CD1 4.14Å; L144-F180 HydrophobicContact CD2-CD2 4.31Å; L144-F180 HydrophobicContact CD2-CG 3.74Å
145N75.6Confident77Confident151 Ų15171.1 Ų71.181%0.80741%0.405SS*.THydrogen-bonded Turntrans-76.4-15.1176-65.9-28.1000113.1F143 A147F143-N145 PolarHBondContact O-N 2.94Å; F143-N145 VanDerWaalsContact O-N 3.14Å; N145-A147 PolarHBondContact O-N 3.28Å
146Y70.4Confident76.6Confident96 Ų9668.5 Ų68.538%0.37639%0.388SS..  trans-86.451.3-179.8-65.3-90000111.7I38 F143 L144 Y148I38-Y146 WeakPolarHBondContact CG2-OH 3.15Å; F143-Y146 WeakPolarHBondContact O-CB 3.21Å; F143-Y146 PolarHBondContact O-N 3.23Å; L144-Y146 VanDerWaalsContact C-N 3.29Å; L144-Y146 PolarHBondContact O-N 2.87Å; Y146-Y148 PolarHBondContact O-N 3.19Å; Y146-Y148 VanDerWaalsContact O-N 3.14Å
147A58.4Low76.3Confident71 Ų7164.6 Ų64.659%0.58736%0.363SS*.THydrogen-bonded Turntrans-68.2-10.4-174.600000114.6N145 L149N145-A147 PolarHBondContact O-N 3.28Å; A147-L149 PolarHBondContact O-N 3.15Å
148Y58.2Low75.9Confident200 Ų20065.9 Ų65.978%0.78437%0.373SS*.THydrogen-bonded Turntrans-88.34.1-169.5-124.1-91.9000115.7Y146 S150Y146-Y148 PolarHBondContact O-N 3.19Å; Y146-Y148 VanDerWaalsContact O-N 3.14Å; Y148-S150 PolarHBondContact O-N 3.38Å
149L56.4Low75.8Confident68 Ų6861.3 Ų61.336%0.35635%0.349SS..  trans-85.337-173.8-59.1164.8000111.5L116 A147 S151L116-L149 HydrophobicContact CD1-CD1 3.32Å; L116-L149 HydrophobicContact CD2-CB 3.66Å; L116-L149 HydrophobicContact CD2-CD1 3.2Å; L116-L149 HydrophobicContact CD2-CD2 4.19Å; L116-L149 HydrophobicContact CD2-CG 3.82Å; L116-L149 HydrophobicContact CG-CD1 3.79Å; A147-L149 PolarHBondContact O-N 3.15Å; L149-S151 PolarHBondContact O-N 3.25Å
150S56.1Low75.6Confident74 Ų7459.4 Ų59.452%0.51734%0.336SS..  trans-77.738.4-174.3-179.80000113.5Y148Y148-S150 PolarHBondContact O-N 3.38Å
151S61.9Low75.4Confident63 Ų6361 Ų6144%0.44135%0.345SS..  trans-100.879.4150.6560000106.6I113 L149 V153I113-S151 WeakPolarHBondContact CD1-OG 3.48Å; L149-S151 PolarHBondContact O-N 3.25Å; S151-V153 VanDerWaalsContact C-N 3.29Å; S151-V153 WeakPolarHBondContact O-CG2 3.27Å; S151-V153 PolarHBondContact O-N 3.44Å
152L63.1Low75.4Confident29 Ų2960.5 Ų60.515%0.15234%0.342CS..  trans-66.293.4175.1-83.2118000109Y156 V157 L160 F188L152-Y156 HydrophobicContact CD2-CD1 3.8Å; L152-Y156 HydrophobicContact CD2-CE1 4.18Å; L152-Y156 HydrophobicContact CG-CD1 3.95Å; L152-Y156 HydrophobicContact CG-CE1 4.29Å; L152-V157 HydrophobicContact CD2-CG2 3.73Å; L152-L160 HydrophobicContact CD2-CD1 4.06Å; L152-F188 HydrophobicContact CB-CB 4.13Å; L152-F188 HydrophobicContact CB-CD2 3.39Å; L152-F188 HydrophobicContact CB-CE2 4.13Å; L152-F188 HydrophobicContact CB-CG 4.09Å; L152-F188 HydrophobicContact CD1-CB 4.1Å; L152-F188 HydrophobicContact CD2-CB 3.67Å; L152-F188 HydrophobicContact CD2-CD2 4.25Å; L152-F188 HydrophobicContact CD2-CG 4.11Å; L152-F188 HydrophobicContact CG-CB 4.15Å; L152-F188 HydrophobicContact CG-CD2 4.31Å; L152-F188 VanDerWaalsContact O-CE2 3.31Å; L152-F188 WeakPolarHBondContact O-CE2 3.32Å
153V74.4Confident75.6Confident47 Ų4758 Ų5829%0.28532%0.324SS..  trans-84.8149166.5-163.90000106.8I113 S151 P155 Y156 V157I113-V153 HydrophobicContact CD1-CG2 3.81Å; S151-V153 VanDerWaalsContact C-N 3.29Å; S151-V153 WeakPolarHBondContact O-CG2 3.27Å; S151-V153 PolarHBondContact O-N 3.44Å; V153-P155 VanDerWaalsContact C-N 3.34Å; V153-P155 HydrophobicContact CB-CG 4.31Å; V153-P155 HydrophobicContact CG1-CG 4.19Å; V153-P155 WeakPolarHBondContact O-CD 3.44Å; V153-P155 VanDerWaalsContact O-N 3.1Å; V153-Y156 WeakPolarHBondContact O-CB 3.39Å; V153-Y156 PolarHBondContact O-N 3.41Å; V153-V157 PolarHBondContact O-N 3.43Å
154P77.6Confident75.9Confident92 Ų9256.7 Ų56.760%0.59732%0.319SS*.Hα-helixtrans-44.2-38.5178-33.736.4000118.2Y156 V157 A158P154-Y156 VanDerWaalsContact C-N 3.32Å; P154-Y156 PolarHBondContact O-N 3.48Å; P154-V157 WeakPolarHBondContact O-CB 3.43Å; P154-V157 PolarHBondContact O-N 3.28Å; P154-A158 PolarHBondContact O-N 2.96Å
155P81.2Confident76.2Confident61 Ų6158.6 Ų58.640%0.39633%0.327SS..Hα-helixtrans-69.4-28.8178.329.4-34.8000113I117 V153 V157 A158 L159I117-P155 HydrophobicContact CD1-CB 3.95Å; I117-P155 HydrophobicContact CD1-CG 4.01Å; V153-P155 VanDerWaalsContact C-N 3.34Å; V153-P155 HydrophobicContact CB-CG 4.31Å; V153-P155 HydrophobicContact CG1-CG 4.19Å; V153-P155 WeakPolarHBondContact O-CD 3.44Å; V153-P155 VanDerWaalsContact O-N 3.1Å; P155-V157 VanDerWaalsContact C-N 3.34Å; P155-A158 PolarHBondContact O-N 3.45Å; P155-L159 PolarHBondContact O-N 3.37Å; P155-L159 VanDerWaalsContact O-N 3.14Å
156Y84.4Confident76.7Confident8 Ų854.8 Ų54.83%0.03131%0.306CS..Hα-helixtrans-67.7-36.8173.9-173.8-102000111.3L116 I117 M120 L152 V153 P154 L159 L160L116-Y156 HydrophobicContact CD2-CD2 4.1Å; L116-Y156 HydrophobicContact CD2-CE2 3.66Å; L116-Y156 HydrophobicContact CG-CE2 4.48Å; I117-Y156 HydrophobicContact CG1-CD2 4.31Å; M120-Y156 HydrophobicContact CE-CE2 4.29Å; M120-Y156 HydrophobicContact SD-CE2 3.66Å; L152-Y156 HydrophobicContact CD2-CD1 3.8Å; L152-Y156 HydrophobicContact CD2-CE1 4.18Å; L152-Y156 HydrophobicContact CG-CD1 3.95Å; L152-Y156 HydrophobicContact CG-CE1 4.29Å; V153-Y156 WeakPolarHBondContact O-CB 3.39Å; V153-Y156 PolarHBondContact O-N 3.41Å; P154-Y156 VanDerWaalsContact C-N 3.32Å; P154-Y156 PolarHBondContact O-N 3.48Å; Y156-L159 HydrophobicContact CD2-CD2 4.34Å; Y156-L159 WeakPolarHBondContact O-CB 3.49Å; Y156-L159 PolarHBondContact O-N 3.5Å; Y156-L160 HydrophobicContact CD1-CD1 4.08Å; Y156-L160 HydrophobicContact CD1-CG 4.33Å; Y156-L160 HydrophobicContact CE1-CD1 3.79Å; Y156-L160 HydrophobicContact CE1-CD2 4.22Å; Y156-L160 HydrophobicContact CE1-CG 4.05Å; Y156-L160 WeakPolarHBondContact O-CG 3.31Å; Y156-L160 PolarHBondContact O-N 2.99Å
157V83.2Confident77.4Confident23 Ų2351 Ų5114%0.13929%0.292CS..Hα-helixtrans-61.9-44.3173.6173.70000111.1L152 V153 P154 P155 L159 L160 L161 L185 F188L152-V157 HydrophobicContact CD2-CG2 3.73Å; V153-V157 PolarHBondContact O-N 3.43Å; P154-V157 WeakPolarHBondContact O-CB 3.43Å; P154-V157 PolarHBondContact O-N 3.28Å; P155-V157 VanDerWaalsContact C-N 3.34Å; V157-L159 VanDerWaalsContact C-N 3.28Å; V157-L159 PolarHBondContact O-N 3.28Å; V157-L160 PolarHBondContact O-N 2.9Å; V157-L161 WeakPolarHBondContact O-CG 3.45Å; V157-L161 PolarHBondContact O-N 2.93Å; V157-L161 VanDerWaalsContact O-N 3.09Å; V157-L185 HydrophobicContact CB-CD2 4.41Å; V157-L185 HydrophobicContact CG1-CD2 3.67Å; V157-F188 HydrophobicContact CG2-CD1 3.71Å; V157-F188 HydrophobicContact CG2-CD2 4.05Å; V157-F188 HydrophobicContact CG2-CE1 3.77Å; V157-F188 HydrophobicContact CG2-CE2 4.07Å; V157-F188 HydrophobicContact CG2-CG 3.85Å; V157-F188 HydrophobicContact CG2-CZ 3.94Å
158A83.5Confident78.6Confident58 Ų5851.4 Ų51.448%0.47929%0.289SS..Hα-helixtrans-60.7-37.9176.700000112.5P154 P155 L161 E162P154-A158 PolarHBondContact O-N 2.96Å; P155-A158 PolarHBondContact O-N 3.45Å; A158-L161 WeakPolarHBondContact O-CB 3.31Å; A158-L161 PolarHBondContact O-N 2.83Å; A158-E162 PolarHBondContact O-N 3.21Å
159L87.3Confident80Confident6 Ų646 Ų463%0.03127%0.273CS..Hα-helixtrans-65.3-41.1174.2172.868.2000112.9I117 M120 N121 P155 Y156 V157 L161 E162 W163I117-L159 HydrophobicContact CB-CD2 4.15Å; I117-L159 HydrophobicContact CG1-CD2 3.96Å; I117-L159 HydrophobicContact CG2-CD2 4.17Å; M120-L159 HydrophobicContact CB-CD1 4.15Å; M120-L159 HydrophobicContact CB-CD2 3.51Å; M120-L159 HydrophobicContact CB-CG 4.24Å; M120-L159 HydrophobicContact CE-CD2 3.98Å; M120-L159 HydrophobicContact CE-CG 4.39Å; M120-L159 HydrophobicContact CG-CD2 4.19Å; M120-L159 HydrophobicContact SD-CD2 3.71Å; N121-L159 HydrophobicContact CB-CD1 4.41Å; N121-L159 VanDerWaalsContact OD1-CD1 3.26Å; N121-L159 WeakPolarHBondContact OD1-CD1 3.49Å; P155-L159 PolarHBondContact O-N 3.37Å; P155-L159 VanDerWaalsContact O-N 3.14Å; Y156-L159 HydrophobicContact CD2-CD2 4.34Å; Y156-L159 WeakPolarHBondContact O-CB 3.49Å; Y156-L159 PolarHBondContact O-N 3.5Å; V157-L159 VanDerWaalsContact C-N 3.28Å; V157-L159 PolarHBondContact O-N 3.28Å; L159-L161 VanDerWaalsContact C-N 3.26Å; L159-L161 PolarHBondContact O-N 3.11Å; L159-E162 WeakPolarHBondContact O-CB 3.41Å; L159-E162 PolarHBondContact O-N 3.47Å; L159-E162 VanDerWaalsContact O-N 3.14Å; L159-W163 VanDerWaalsContact O-CD1 3.29Å; L159-W163 PolarHBondContact O-N 2.9Å
160L87.8Confident81.3Confident0 Ų051.1 Ų51.10%029%0.293CS..Hα-helixtrans-62.1-35.8174.5-67.3176.8000111.7M120 L152 Y156 V157 W163 L164 F180 C181 L185M120-L160 HydrophobicContact CE-CD2 4.44Å; L152-L160 HydrophobicContact CD2-CD1 4.06Å; Y156-L160 HydrophobicContact CD1-CD1 4.08Å; Y156-L160 HydrophobicContact CD1-CG 4.33Å; Y156-L160 HydrophobicContact CE1-CD1 3.79Å; Y156-L160 HydrophobicContact CE1-CD2 4.22Å; Y156-L160 HydrophobicContact CE1-CG 4.05Å; Y156-L160 WeakPolarHBondContact O-CG 3.31Å; Y156-L160 PolarHBondContact O-N 2.99Å; V157-L160 PolarHBondContact O-N 2.9Å; L160-W163 PolarHBondContact O-N 3.28Å; L160-L164 WeakPolarHBondContact O-CG 3.47Å; L160-L164 PolarHBondContact O-N 3.02Å; L160-F180 HydrophobicContact CD2-CD1 4.48Å; L160-F180 HydrophobicContact CD2-CE1 4.03Å; L160-C181 HydrophobicContact CD2-CB 4.46Å; L160-L185 HydrophobicContact CB-CD1 4.41Å; L160-L185 HydrophobicContact CB-CD2 4.02Å; L160-L185 HydrophobicContact CB-CG 4.18Å; L160-L185 HydrophobicContact CD1-CD2 3.91Å; L160-L185 HydrophobicContact CD1-CG 4.01Å
161L86.1Confident82.9Confident46 Ų4649.7 Ų49.724%0.24128%0.283CS..Hα-helixtrans-65.5-40.3172.9-63174.7000111.6V157 A158 L159 W163 L164 Q165 L185 W200 I204V157-L161 WeakPolarHBondContact O-CG 3.45Å; V157-L161 PolarHBondContact O-N 2.93Å; V157-L161 VanDerWaalsContact O-N 3.09Å; A158-L161 WeakPolarHBondContact O-CB 3.31Å; A158-L161 PolarHBondContact O-N 2.83Å; L159-L161 VanDerWaalsContact C-N 3.26Å; L159-L161 PolarHBondContact O-N 3.11Å; L161-W163 VanDerWaalsContact C-N 3.3Å; L161-W163 PolarHBondContact O-N 3.44Å; L161-L164 PolarHBondContact O-N 3.42Å; L161-Q165 PolarHBondContact O-N 3.05Å; L161-L185 HydrophobicContact CD2-CD1 4.1Å; L161-W200 HydrophobicContact CD2-CE3 4.39Å; L161-I204 HydrophobicContact CD2-CD1 3.59Å; L161-I204 HydrophobicContact CD2-CG1 4.09Å
162E87.4Confident84.1Confident55 Ų5551.2 Ų51.226%0.25729%0.285SS..Hα-helixtrans-61.5-39174.3-17469.2-165.800111.7R128 A158 L159 L164 Q165R128-E162 IonicContact CZ-OE1 3.15Å; R128-E162 IonicContact NH1-OE1 2.77Å; R128-E162 PolarHBondContact NH1-OE1 2.97Å; R128-E162 IonicContact NH2-OE1 2.8Å; R128-E162 PolarHBondContact NH2-OE1 3.05Å; A158-E162 PolarHBondContact O-N 3.21Å; L159-E162 WeakPolarHBondContact O-CB 3.41Å; L159-E162 PolarHBondContact O-N 3.47Å; L159-E162 VanDerWaalsContact O-N 3.14Å; E162-L164 VanDerWaalsContact C-N 3.26Å; E162-L164 PolarHBondContact O-N 3.18Å; E162-Q165 VanDerWaalsContact CD-OE1 3.26Å; E162-Q165 WeakPolarHBondContact O-CB 3.38Å; E162-Q165 PolarHBondContact O-N 3.34Å; E162-Q165 PolarHBondContact OE1-OE1 3.13Å; E162-Q165 PolarHBondContact OE2-NE2 3.01Å; E162-Q165 PolarHBondContact OE2-OE1 3.39Å; E162-Q165 VanDerWaalsContact OE2-OE1 3.1Å
163W91.1Very high85.4Confident3 Ų350 Ų501%0.01128%0.28CS..Hα-helixtrans-66.7-27.2176.9-84.543.4000113.4M120 A123 K140 F143 L159 L160 L161 P173 V177M120-W163 HydrophobicContact CB-CZ2 3.74Å; M120-W163 HydrophobicContact CE-CD2 4.08Å; M120-W163 HydrophobicContact CE-CE3 4.29Å; M120-W163 HydrophobicContact CE-CH2 4Å; M120-W163 HydrophobicContact CE-CZ2 3.72Å; M120-W163 HydrophobicContact CE-CZ3 4.26Å; M120-W163 HydrophobicContact CG-CZ2 3.97Å; M120-W163 WeakPolarHBondContact O-CZ2 3.11Å; M120-W163 PolarHBondContact O-NE1 3.48Å; M120-W163 VanDerWaalsContact O-NE1 3.11Å; A123-W163 HydrophobicContact CB-CZ2 4.26Å; K140-W163 HydrophobicContact CB-CE3 4.08Å; K140-W163 HydrophobicContact CB-CH2 3.68Å; K140-W163 HydrophobicContact CB-CZ2 4.33Å; K140-W163 HydrophobicContact CB-CZ3 3.55Å; K140-W163 HydrophobicContact CD-CD2 3.7Å; K140-W163 HydrophobicContact CD-CE3 3.77Å; K140-W163 HydrophobicContact CD-CG 4.1Å; K140-W163 HydrophobicContact CD-CH2 4.4Å; K140-W163 HydrophobicContact CD-CZ2 4.38Å; K140-W163 HydrophobicContact CD-CZ3 4.13Å; K140-W163 HydrophobicContact CG-CD2 4.03Å; K140-W163 HydrophobicContact CG-CE3 3.95Å; K140-W163 HydrophobicContact CG-CH2 3.68Å; K140-W163 HydrophobicContact CG-CZ2 3.8Å; K140-W163 HydrophobicContact CG-CZ3 3.77Å; K140-W163 WeakPolarHBondContact O-CH2 3.48Å; K140-W163 WeakPolarHBondContact O-CZ3 3.46Å; F143-W163 HydrophobicContact CB-CH2 3.79Å; F143-W163 HydrophobicContact CB-CZ3 4.43Å; F143-W163 AromaticContact CD2-CH2 3.94Å; F143-W163 HydrophobicContact CD2-CH2 3.94Å; F143-W163 HydrophobicContact CD2-CZ2 4.42Å; F143-W163 HydrophobicContact CG-CH2 4.02Å; L159-W163 VanDerWaalsContact O-CD1 3.29Å; L159-W163 PolarHBondContact O-N 2.9Å; L160-W163 PolarHBondContact O-N 3.28Å; L161-W163 VanDerWaalsContact C-N 3.3Å; L161-W163 PolarHBondContact O-N 3.44Å; W163-P173 WeakPolarHBondContact O-CG 3.41Å; W163-V177 HydrophobicContact CE3-CG1 3.64Å; W163-V177 HydrophobicContact CZ3-CG1 4.17Å
164L90.2Very high86.2Confident3 Ų349.8 Ų49.82%0.01628%0.282CS..Hα-helixtrans-85.4-9.8175.7-72.7174.7000113.6L160 L161 E162 Q178 C181 F182 L185 I204L160-L164 WeakPolarHBondContact O-CG 3.47Å; L160-L164 PolarHBondContact O-N 3.02Å; L161-L164 PolarHBondContact O-N 3.42Å; E162-L164 VanDerWaalsContact C-N 3.26Å; E162-L164 PolarHBondContact O-N 3.18Å; L164-Q178 HydrophobicContact CD2-CB 4.4Å; L164-Q178 HydrophobicContact CD2-CG 4.35Å; L164-C181 HydrophobicContact CD1-CB 3.88Å; L164-C181 HydrophobicContact CD2-CB 3.8Å; L164-C181 HydrophobicContact CG-CB 3.73Å; L164-F182 HydrophobicContact CD1-CD1 4.39Å; L164-F182 HydrophobicContact CD1-CE1 4.05Å; L164-F182 HydrophobicContact CD1-CZ 4.24Å; L164-F182 HydrophobicContact CD2-CE2 4.11Å; L164-F182 HydrophobicContact CD2-CZ 4.22Å; L164-L185 HydrophobicContact CD1-CD1 3.79Å; L164-I204 HydrophobicContact CB-CD1 4.47Å; L164-I204 HydrophobicContact CB-CG1 4.29Å; L164-I204 HydrophobicContact CB-CG2 4.36Å; L164-I204 HydrophobicContact CD1-CD1 3.78Å; L164-I204 HydrophobicContact CD1-CG1 4.48Å
165Q85.4Confident86.8Confident77 Ų7752.6 Ų52.636%0.3628%0.282SS..SBendtrans-61.3142.3177.2-72.8177.63.900111L161 E162 L167L161-Q165 PolarHBondContact O-N 3.05Å; E162-Q165 VanDerWaalsContact CD-OE1 3.26Å; E162-Q165 WeakPolarHBondContact O-CB 3.38Å; E162-Q165 PolarHBondContact O-N 3.34Å; E162-Q165 PolarHBondContact OE1-OE1 3.13Å; E162-Q165 PolarHBondContact OE2-NE2 3.01Å; E162-Q165 PolarHBondContact OE2-OE1 3.39Å; E162-Q165 VanDerWaalsContact OE2-OE1 3.1Å; Q165-L167 PolarHBondContact O-N 3.31Å
166L85.5Confident87.2Confident70 Ų7054.3 Ų54.337%0.36629%0.285SS..PPolyproline II helixtrans-54.2135.8174-67164000110.1K170 L172L166-K170 WeakPolarHBondContact CD2-O 3.35Å; L166-L172 HydrophobicContact CD2-CD2 3.54Å; L166-L172 HydrophobicContact CD2-CG 3.93Å; L166-L172 HydrophobicContact CG-CD2 4.46Å
167L86.5Confident87.5Confident17 Ų1754 Ų549%0.08928%0.284CS..PPolyproline II helixtrans-70.4165.2174.5-80.376.9000110.1N131 Q165 D169 K170 S171 P173N131-L167 HydrophobicContact CB-CD2 3.78Å; N131-L167 WeakPolarHBondContact ND2-CB 3.26Å; Q165-L167 PolarHBondContact O-N 3.31Å; L167-D169 WeakPolarHBondContact CB-OD1 3.44Å; L167-D169 PolarHBondContact O-N 3.48Å; L167-K170 WeakPolarHBondContact O-CA 3.17Å; L167-K170 PolarHBondContact O-N 3.03Å; L167-S171 PolarHBondContact N-O 2.93Å; L167-P173 HydrophobicContact CD1-CB 4.33Å; L167-P173 HydrophobicContact CD1-CG 3.9Å
168P84.1Confident87.9Confident80 Ų8055 Ų5552%0.51929%0.287SS..THydrogen-bonded Turntrans-54.8-26.3-177.5-30.336.8000115.7V132 K170V132-P168 HydrophobicContact CG2-CB 4Å; V132-P168 HydrophobicContact CG2-CG 3.93Å; P168-K170 VanDerWaalsContact C-N 3.28Å
169D87.3Confident88.2Confident85 Ų8560.3 Ų60.346%0.45530%0.295SS..THydrogen-bonded Turntrans-84.35.6175.166.5-31.3000113.7N131 L167 S171N131-D169 PolarHBondContact ND2-OD1 2.84Å; L167-D169 WeakPolarHBondContact CB-OD1 3.44Å; L167-D169 PolarHBondContact O-N 3.48Å; D169-S171 PolarHBondContact O-N 3.28Å; D169-S171 PolarHBondContact OD1-N 3.23Å; D169-S171 PolarHBondContact OD1-OG 3.37Å; D169-S171 WeakPolarHBondContact OD2-CB 3.38Å; D169-S171 PolarHBondContact OD2-OG 2.97Å
170K83.7Confident88.2Confident177 Ų17761.4 Ų61.477%0.7730%0.299SS*.SBendtrans6510.6-174-49175.1-177.6176.60114.4L166 L167 P168L166-K170 WeakPolarHBondContact CD2-O 3.35Å; L167-K170 WeakPolarHBondContact O-CA 3.17Å; L167-K170 PolarHBondContact O-N 3.03Å; P168-K170 VanDerWaalsContact C-N 3.28Å
171S88.5Confident88.2Confident44 Ų4461.4 Ų61.431%0.30830%0.299SS..PPolyproline II helixtrans-75150.2170.669.60000110.3L167 D169L167-S171 PolarHBondContact N-O 2.93Å; D169-S171 PolarHBondContact O-N 3.28Å; D169-S171 PolarHBondContact OD1-N 3.23Å; D169-S171 PolarHBondContact OD1-OG 3.37Å; D169-S171 WeakPolarHBondContact OD2-CB 3.38Å; D169-S171 PolarHBondContact OD2-OG 2.97Å
172L88.4Confident88.3Confident94 Ų9463 Ų6349%0.49230%0.304SS..PPolyproline II helixtrans-78.8153.2169.1-71.8166.6000109.3L166L166-L172 HydrophobicContact CD2-CD2 3.54Å; L166-L172 HydrophobicContact CD2-CG 3.93Å; L166-L172 HydrophobicContact CG-CD2 4.46Å
173P90.5Very high88.2Confident5 Ų567.4 Ų67.43%0.03232%0.323CS..PPolyproline II helixtrans-53160.7170.8-20.828.4000112.4W163 L167 V177 Q178W163-P173 WeakPolarHBondContact O-CG 3.41Å; L167-P173 HydrophobicContact CD1-CB 4.33Å; L167-P173 HydrophobicContact CD1-CG 3.9Å; P173-V177 HydrophobicContact CB-CB 4.26Å; P173-V177 HydrophobicContact CB-CG1 4.18Å; P173-Q178 HydrophobicContact CB-CG 4.47Å; P173-Q178 PolarHBondContact O-NE2 3.46Å
174A90.3Very high87.9Confident41 Ų4168 Ų6834%0.33933%0.328SS..PPolyproline II helixtrans-52.2147.2176.700000112.5E176 V177 Q178A174-E176 WeakPolarHBondContact CB-OE2 3.41Å; A174-E176 PolarHBondContact O-N 3Å; A174-E176 VanDerWaalsContact O-N 3.16Å; A174-V177 HydrophobicContact CB-CG2 4.4Å; A174-V177 WeakPolarHBondContact O-CB 3.43Å; A174-V177 PolarHBondContact O-N 3.42Å; A174-Q178 PolarHBondContact O-N 3.25Å
175Y90.8Very high87.5Confident152 Ų15268.1 Ų68.160%0.59633%0.328SS*.Hα-helixtrans-55.3-37.3-173.9171.8-101.2000112.6V177 Q178 R179Y175-V177 VanDerWaalsContact C-N 3.32Å; Y175-V177 PolarHBondContact O-N 2.7Å; Y175-Q178 PolarHBondContact O-N 2.75Å; Y175-R179 WeakPolarHBondContact O-CB 3.45Å; Y175-R179 PolarHBondContact O-N 3.3Å
176E90Very high87.4Confident96 Ų9669.5 Ų69.545%0.44933%0.333SS..Hα-helixtrans-64.1-39.7179.4-56.674.9-163.500111.4L144 A174 F180L144-E176 HydrophobicContact CD1-CB 3.53Å; A174-E176 WeakPolarHBondContact CB-OE2 3.41Å; A174-E176 PolarHBondContact O-N 3Å; A174-E176 VanDerWaalsContact O-N 3.16Å; E176-F180 WeakPolarHBondContact O-CB 3.31Å; E176-F180 PolarHBondContact O-N 2.76Å
177V90.3Very high87.2Confident2 Ų270.5 Ų70.51%0.01234%0.336CS..Hα-helixtrans-67.6-441761800000110.7K140 Q141 L144 W163 P173 A174 Y175 F180 C181K140-V177 HydrophobicContact CB-CG2 4.03Å; K140-V177 HydrophobicContact CD-CG1 4.36Å; Q141-V177 HydrophobicContact CG-CG2 4.19Å; L144-V177 HydrophobicContact CD1-CG2 4.41Å; L144-V177 HydrophobicContact CD2-CG2 4.3Å; W163-V177 HydrophobicContact CE3-CG1 3.64Å; W163-V177 HydrophobicContact CZ3-CG1 4.17Å; P173-V177 HydrophobicContact CB-CB 4.26Å; P173-V177 HydrophobicContact CB-CG1 4.18Å; A174-V177 HydrophobicContact CB-CG2 4.4Å; A174-V177 WeakPolarHBondContact O-CB 3.43Å; A174-V177 PolarHBondContact O-N 3.42Å; Y175-V177 VanDerWaalsContact C-N 3.32Å; Y175-V177 PolarHBondContact O-N 2.7Å; V177-F180 PolarHBondContact O-N 2.96Å; V177-C181 WeakPolarHBondContact O-CB 3.16Å; V177-C181 PolarHBondContact O-N 3.21Å; V177-C181 PolarHBondContact O-SG 3.12Å
178Q90.9Very high86.9Confident45 Ų4570.9 Ų70.921%0.2134%0.337CS..Hα-helixtrans-59.1-50176.1-64-178.338.100110.9L164 P173 A174 Y175 F180 C181 F182L164-Q178 HydrophobicContact CD2-CB 4.4Å; L164-Q178 HydrophobicContact CD2-CG 4.35Å; P173-Q178 HydrophobicContact CB-CG 4.47Å; P173-Q178 PolarHBondContact O-NE2 3.46Å; A174-Q178 PolarHBondContact O-N 3.25Å; Y175-Q178 PolarHBondContact O-N 2.75Å; Q178-F180 VanDerWaalsContact C-N 3.34Å; Q178-F180 PolarHBondContact O-N 3.34Å; Q178-C181 PolarHBondContact O-N 3.03Å; Q178-F182 HydrophobicContact CB-CD2 4.21Å; Q178-F182 HydrophobicContact CB-CE2 4.13Å; Q178-F182 WeakPolarHBondContact O-CD2 3.45Å; Q178-F182 PolarHBondContact O-N 3.48Å
179R89.2Confident86.6Confident169 Ų16968 Ų6864%0.63832%0.317SS*.Hα-helixtrans-57.6-46.2179.4-178.5178.9172.5169.3-2111.6Y175 F183Y175-R179 WeakPolarHBondContact O-CB 3.45Å; Y175-R179 PolarHBondContact O-N 3.3Å; R179-F183 VanDerWaalsContact O-CB 3.24Å; R179-F183 WeakPolarHBondContact O-CB 3.16Å; R179-F183 PolarHBondContact O-N 3.49Å
180F88.6Confident86.2Confident29 Ų2969.1 Ų69.113%0.12732%0.323CS..Hα-helixtrans-60-47.2177.1172.8-96.5000112.4L144 L160 E176 V177 Q178 F183 S184L144-F180 HydrophobicContact CD2-CB 3.51Å; L144-F180 HydrophobicContact CD2-CD1 4.14Å; L144-F180 HydrophobicContact CD2-CD2 4.31Å; L144-F180 HydrophobicContact CD2-CG 3.74Å; L160-F180 HydrophobicContact CD2-CD1 4.48Å; L160-F180 HydrophobicContact CD2-CE1 4.03Å; E176-F180 WeakPolarHBondContact O-CB 3.31Å; E176-F180 PolarHBondContact O-N 2.76Å; V177-F180 PolarHBondContact O-N 2.96Å; Q178-F180 VanDerWaalsContact C-N 3.34Å; Q178-F180 PolarHBondContact O-N 3.34Å; F180-F183 PolarHBondContact O-N 2.94Å; F180-S184 WeakPolarHBondContact O-CB 3.27Å; F180-S184 PolarHBondContact O-N 2.81Å; F180-S184 PolarHBondContact O-OG 2.82Å
181C88.1Confident85.9Confident0 Ų065 Ų650%032%0.316CS..Hα-helixtrans-65.2-48.5-179.6-64.90000111.3L160 L164 V177 Q178 F183 S184 L185L160-C181 HydrophobicContact CD2-CB 4.46Å; L164-C181 HydrophobicContact CD1-CB 3.88Å; L164-C181 HydrophobicContact CD2-CB 3.8Å; L164-C181 HydrophobicContact CG-CB 3.73Å; V177-C181 WeakPolarHBondContact O-CB 3.16Å; V177-C181 PolarHBondContact O-N 3.21Å; V177-C181 PolarHBondContact O-SG 3.12Å; Q178-C181 PolarHBondContact O-N 3.03Å; C181-F183 VanDerWaalsContact C-N 3.35Å; C181-F183 PolarHBondContact O-N 2.99Å; C181-S184 PolarHBondContact O-N 2.97Å; C181-L185 WeakPolarHBondContact O-CB 3.3Å; C181-L185 WeakPolarHBondContact O-CG 3.45Å; C181-L185 PolarHBondContact O-N 3.08Å
182F87.3Confident85.2Confident79 Ų7966.8 Ų66.835%0.34632%0.322SS..Hα-helixtrans-62.4-40.4178.6-74.5-58.1000112.4L164 Q178 F186 W200L164-F182 HydrophobicContact CD1-CD1 4.39Å; L164-F182 HydrophobicContact CD1-CE1 4.05Å; L164-F182 HydrophobicContact CD1-CZ 4.24Å; L164-F182 HydrophobicContact CD2-CE2 4.11Å; L164-F182 HydrophobicContact CD2-CZ 4.22Å; Q178-F182 HydrophobicContact CB-CD2 4.21Å; Q178-F182 HydrophobicContact CB-CE2 4.13Å; Q178-F182 WeakPolarHBondContact O-CD2 3.45Å; Q178-F182 PolarHBondContact O-N 3.48Å; F182-F186 WeakPolarHBondContact O-CB 3.24Å; F182-F186 PolarHBondContact O-N 2.76Å; F182-W200 HydrophobicContact CD1-CH2 4.46Å; F182-W200 HydrophobicContact CE1-CH2 4.47Å
183F86.4Confident84.4Confident147 Ų14770.8 Ų70.865%0.64534%0.34SS*.Hα-helixtrans-62.2-46.4176.7-174-98.4000111.8R179 F180 C181 F186 H187R179-F183 VanDerWaalsContact O-CB 3.24Å; R179-F183 WeakPolarHBondContact O-CB 3.16Å; R179-F183 PolarHBondContact O-N 3.49Å; F180-F183 PolarHBondContact O-N 2.94Å; C181-F183 VanDerWaalsContact C-N 3.35Å; C181-F183 PolarHBondContact O-N 2.99Å; F183-F186 PolarHBondContact O-N 3.46Å; F183-H187 WeakPolarHBondContact O-CB 3.36Å; F183-H187 PolarHBondContact O-N 3.02Å
184S83.7Confident83.1Confident17 Ų1775 Ų7512%0.11936%0.362CS..Hα-helixtrans-65.4-42.8178.9-59.70000112.5F180 C181 H187 F188F180-S184 WeakPolarHBondContact O-CB 3.27Å; F180-S184 PolarHBondContact O-N 2.81Å; F180-S184 PolarHBondContact O-OG 2.82Å; C181-S184 PolarHBondContact O-N 2.97Å; S184-H187 PolarHBondContact O-N 2.69Å; S184-F188 PolarHBondContact O-N 3.39Å; S184-F188 VanDerWaalsContact O-N 3.12Å
185L82.7Confident81.4Confident4 Ų480.4 Ų80.42%0.02138%0.382CS..Hα-helixtrans-65.6-42.9176.5-71174.2000111.7V157 L160 L161 L164 C181 H187 F188 L189 W200V157-L185 HydrophobicContact CB-CD2 4.41Å; V157-L185 HydrophobicContact CG1-CD2 3.67Å; L160-L185 HydrophobicContact CB-CD1 4.41Å; L160-L185 HydrophobicContact CB-CD2 4.02Å; L160-L185 HydrophobicContact CB-CG 4.18Å; L160-L185 HydrophobicContact CD1-CD2 3.91Å; L160-L185 HydrophobicContact CD1-CG 4.01Å; L161-L185 HydrophobicContact CD2-CD1 4.1Å; L164-L185 HydrophobicContact CD1-CD1 3.79Å; C181-L185 WeakPolarHBondContact O-CB 3.3Å; C181-L185 WeakPolarHBondContact O-CG 3.45Å; C181-L185 PolarHBondContact O-N 3.08Å; L185-H187 VanDerWaalsContact C-N 3.35Å; L185-H187 PolarHBondContact O-N 3.27Å; L185-F188 PolarHBondContact O-N 3.15Å; L185-L189 WeakPolarHBondContact O-CG 3.5Å; L185-L189 PolarHBondContact O-N 3.07Å; L185-W200 HydrophobicContact CD1-CZ3 4.03Å
186F83.1Confident79.8Confident107 Ų10777.4 Ų77.447%0.46937%0.373SS..Hα-helixtrans-61.6-44.1177.4-175.8-101.2000111.2F182 F183 F188 L189 L190 F196F182-F186 WeakPolarHBondContact O-CB 3.24Å; F182-F186 PolarHBondContact O-N 2.76Å; F183-F186 PolarHBondContact O-N 3.46Å; F186-F188 VanDerWaalsContact C-N 3.33Å; F186-F188 PolarHBondContact O-N 2.76Å; F186-L189 PolarHBondContact O-N 2.74Å; F186-L190 HydrophobicContact CD1-CD1 3.67Å; F186-L190 HydrophobicContact CD1-CG 4.21Å; F186-L190 HydrophobicContact CE1-CD1 3.17Å; F186-L190 HydrophobicContact CE1-CG 3.92Å; F186-L190 HydrophobicContact CE2-CD1 4.48Å; F186-L190 HydrophobicContact CE2-CG 4.43Å; F186-L190 HydrophobicContact CZ-CD1 3.63Å; F186-L190 HydrophobicContact CZ-CD2 4.2Å; F186-L190 HydrophobicContact CZ-CG 4.01Å; F186-L190 WeakPolarHBondContact O-CB 3.35Å; F186-L190 WeakPolarHBondContact O-CG 3.16Å; F186-L190 PolarHBondContact O-N 2.93Å; F186-F196 HydrophobicContact CD2-CE2 4.11Å; F186-F196 AromaticContact CD2-CZ 3.68Å; F186-F196 HydrophobicContact CD2-CZ 3.68Å; F186-F196 HydrophobicContact CE2-CE2 4.44Å; F186-F196 HydrophobicContact CE2-CZ 4.29Å
187H81.5Confident78.3Confident90 Ų9075.3 Ų75.342%0.41737%0.368SS..Hα-helixtrans-59.3-43.1175.3-175.9-102.3000112.2F183 S184 L185 S191F183-H187 WeakPolarHBondContact O-CB 3.36Å; F183-H187 PolarHBondContact O-N 3.02Å; S184-H187 PolarHBondContact O-N 2.69Å; L185-H187 VanDerWaalsContact C-N 3.35Å; L185-H187 PolarHBondContact O-N 3.27Å; H187-S191 WeakPolarHBondContact O-CB 3.21Å; H187-S191 PolarHBondContact O-N 2.92Å
188F78.7Confident76.9Confident25 Ų2577.1 Ų77.111%0.1139%0.388CS..Hα-helixtrans-65.4-43.8176.9176-99.7000113.7L152 V157 S184 L185 F186 S191 N192 L194L152-F188 HydrophobicContact CB-CB 4.13Å; L152-F188 HydrophobicContact CB-CD2 3.39Å; L152-F188 HydrophobicContact CB-CE2 4.13Å; L152-F188 HydrophobicContact CB-CG 4.09Å; L152-F188 HydrophobicContact CD1-CB 4.1Å; L152-F188 HydrophobicContact CD2-CB 3.67Å; L152-F188 HydrophobicContact CD2-CD2 4.25Å; L152-F188 HydrophobicContact CD2-CG 4.11Å; L152-F188 HydrophobicContact CG-CB 4.15Å; L152-F188 HydrophobicContact CG-CD2 4.31Å; L152-F188 VanDerWaalsContact O-CE2 3.31Å; L152-F188 WeakPolarHBondContact O-CE2 3.32Å; V157-F188 HydrophobicContact CG2-CD1 3.71Å; V157-F188 HydrophobicContact CG2-CD2 4.05Å; V157-F188 HydrophobicContact CG2-CE1 3.77Å; V157-F188 HydrophobicContact CG2-CE2 4.07Å; V157-F188 HydrophobicContact CG2-CG 3.85Å; V157-F188 HydrophobicContact CG2-CZ 3.94Å; S184-F188 PolarHBondContact O-N 3.39Å; S184-F188 VanDerWaalsContact O-N 3.12Å; L185-F188 PolarHBondContact O-N 3.15Å; F186-F188 VanDerWaalsContact C-N 3.33Å; F186-F188 PolarHBondContact O-N 2.76Å; F188-S191 PolarHBondContact O-N 3.46Å; F188-N192 WeakPolarHBondContact CD2-ND2 3.32Å; F188-N192 WeakPolarHBondContact CE2-ND2 3.45Å; F188-N192 PolarHBondContact O-N 3.4Å; F188-N192 VanDerWaalsContact O-N 3.09Å; F188-N192 PolarHBondContact O-ND2 3.06Å; F188-L194 HydrophobicContact CE1-CD1 4.18Å
189L77.8Confident75.7Confident19 Ų1979.1 Ų79.110%0.09940%0.399CS..Hα-helixtrans-65.4-41.8179.5-70.7171.1000111.1L185 F186 M193 L194 F196 W200L185-L189 WeakPolarHBondContact O-CG 3.5Å; L185-L189 PolarHBondContact O-N 3.07Å; F186-L189 PolarHBondContact O-N 2.74Å; L189-M193 PolarHBondContact O-N 3.48Å; L189-L194 HydrophobicContact CD2-CB 4Å; L189-L194 PolarHBondContact O-N 3.45Å; L189-F196 HydrophobicContact CB-CD2 4.01Å; L189-F196 HydrophobicContact CB-CE2 3.47Å; L189-F196 VanDerWaalsContact CB-CE2 3.47Å; L189-F196 HydrophobicContact CB-CZ 4.23Å; L189-F196 HydrophobicContact CD1-CD1 4.31Å; L189-F196 HydrophobicContact CD1-CD2 3.77Å; L189-F196 HydrophobicContact CD1-CE1 3.94Å; L189-F196 HydrophobicContact CD1-CE2 3.32Å; L189-F196 HydrophobicContact CD1-CG 4.21Å; L189-F196 HydrophobicContact CD1-CZ 3.35Å; L189-F196 HydrophobicContact CG-CD2 4.42Å; L189-F196 HydrophobicContact CG-CE2 4Å; L189-F196 HydrophobicContact CG-CZ 4.42Å; L189-W200 HydrophobicContact CD1-CD2 4.09Å; L189-W200 HydrophobicContact CD1-CG 4.46Å; L189-W200 HydrophobicContact CD1-CZ2 4.26Å
190L79Confident74.5Confident110 Ų11073.2 Ų73.258%0.57638%0.377SS*.Hα-helixtrans-62-47.9173.7-74.7-176.3000112.2F186 N192 M193F186-L190 HydrophobicContact CD1-CD1 3.67Å; F186-L190 HydrophobicContact CD1-CG 4.21Å; F186-L190 HydrophobicContact CE1-CD1 3.17Å; F186-L190 HydrophobicContact CE1-CG 3.92Å; F186-L190 HydrophobicContact CE2-CD1 4.48Å; F186-L190 HydrophobicContact CE2-CG 4.43Å; F186-L190 HydrophobicContact CZ-CD1 3.63Å; F186-L190 HydrophobicContact CZ-CD2 4.2Å; F186-L190 HydrophobicContact CZ-CG 4.01Å; F186-L190 WeakPolarHBondContact O-CB 3.35Å; F186-L190 WeakPolarHBondContact O-CG 3.16Å; F186-L190 PolarHBondContact O-N 2.93Å; L190-N192 VanDerWaalsContact C-N 3.3Å; L190-N192 PolarHBondContact O-N 2.98Å; L190-M193 PolarHBondContact O-N 3.35Å
191S78.2Confident73.5Confident90 Ų9074.3 Ų74.363%0.62938%0.384SS*.Hα-helixtrans-65.6-31.6-176.6-178.90000113.3H187 F188 M193H187-S191 WeakPolarHBondContact O-CB 3.21Å; H187-S191 PolarHBondContact O-N 2.92Å; F188-S191 PolarHBondContact O-N 3.46Å; S191-M193 VanDerWaalsContact C-N 3.34Å
192N74.6Confident72.7Confident81 Ų8176.9 Ų76.943%0.43339%0.394SS..THydrogen-bonded Turntrans-92.74.7-178.4-70.7-78.2000113.1F188 L190 L194F188-N192 WeakPolarHBondContact CD2-ND2 3.32Å; F188-N192 WeakPolarHBondContact CE2-ND2 3.45Å; F188-N192 PolarHBondContact O-N 3.4Å; F188-N192 VanDerWaalsContact O-N 3.09Å; F188-N192 PolarHBondContact O-ND2 3.06Å; L190-N192 VanDerWaalsContact C-N 3.3Å; L190-N192 PolarHBondContact O-N 2.98Å; N192-L194 HydrophobicContact CB-CB 4.45Å; N192-L194 HydrophobicContact CB-CD1 3.74Å; N192-L194 HydrophobicContact CB-CG 3.9Å; N192-L194 PolarHBondContact O-N 3.17Å
193M71.7Confident71.6Confident179 Ų17977.2 Ų77.288%0.88240%0.404SS*.THydrogen-bonded Turntrans4829.4-171.9-151.4-161.5165.500112.3L189 L190 S191 M195L189-M193 PolarHBondContact O-N 3.48Å; L190-M193 PolarHBondContact O-N 3.35Å; S191-M193 VanDerWaalsContact C-N 3.34Å; M193-M195 PolarHBondContact O-N 3.3Å
194L62.5Low70.6Confident92 Ų9270.8 Ų70.848%0.48238%0.376SS..  trans-78.5107.5177.3-79.7166.1000105.8F188 L189 N192 F196F188-L194 HydrophobicContact CE1-CD1 4.18Å; L189-L194 HydrophobicContact CD2-CB 4Å; L189-L194 PolarHBondContact O-N 3.45Å; N192-L194 HydrophobicContact CB-CB 4.45Å; N192-L194 HydrophobicContact CB-CD1 3.74Å; N192-L194 HydrophobicContact CB-CG 3.9Å; N192-L194 PolarHBondContact O-N 3.17Å; L194-F196 PolarHBondContact O-N 3.49Å
195M55.4Low69.7Low156 Ų15674.9 Ų74.977%0.76840%0.396SS*.  trans-45.1130.9166.9-171174.975.100107.6M193 S197M193-M195 PolarHBondContact O-N 3.3Å; M195-S197 PolarHBondContact O-N 2.96Å
196F56.2Low68.7Low89 Ų8980.2 Ų80.239%0.3943%0.425SS..  trans-60.377.7171.3-93.8-124.2000108.4F186 L189 L194 G198 W200F186-F196 HydrophobicContact CD2-CE2 4.11Å; F186-F196 AromaticContact CD2-CZ 3.68Å; F186-F196 HydrophobicContact CD2-CZ 3.68Å; F186-F196 HydrophobicContact CE2-CE2 4.44Å; F186-F196 HydrophobicContact CE2-CZ 4.29Å; L189-F196 HydrophobicContact CB-CD2 4.01Å; L189-F196 HydrophobicContact CB-CE2 3.47Å; L189-F196 VanDerWaalsContact CB-CE2 3.47Å; L189-F196 HydrophobicContact CB-CZ 4.23Å; L189-F196 HydrophobicContact CD1-CD1 4.31Å; L189-F196 HydrophobicContact CD1-CD2 3.77Å; L189-F196 HydrophobicContact CD1-CE1 3.94Å; L189-F196 HydrophobicContact CD1-CE2 3.32Å; L189-F196 HydrophobicContact CD1-CG 4.21Å; L189-F196 HydrophobicContact CD1-CZ 3.35Å; L189-F196 HydrophobicContact CG-CD2 4.42Å; L189-F196 HydrophobicContact CG-CE2 4Å; L189-F196 HydrophobicContact CG-CZ 4.42Å; L194-F196 PolarHBondContact O-N 3.49Å; F196-G198 PolarHBondContact O-N 3.31Å; F196-G198 VanDerWaalsContact O-N 3.17Å; F196-W200 AromaticContact CD1-CE2 3.46Å; F196-W200 VanDerWaalsContact CD1-CE2 3.46Å; F196-W200 AromaticContact CD1-CZ2 3.33Å; F196-W200 HydrophobicContact CD1-CZ2 3.33Å; F196-W200 AromaticContact CD1-NE1 3.1Å; F196-W200 AromaticContact CE1-CE2 3.57Å; F196-W200 AromaticContact CE1-CH2 3.93Å; F196-W200 HydrophobicContact CE1-CH2 3.93Å; F196-W200 AromaticContact CE1-CZ2 3.03Å; F196-W200 HydrophobicContact CE1-CZ2 3.03Å; F196-W200 AromaticContact CE1-NE1 3.71Å; F196-W200 HydrophobicContact CG-CZ2 4.45Å; F196-W200 AromaticContact CG-NE1 3.51Å; F196-W200 AromaticContact CZ-CZ2 3.94Å; F196-W200 HydrophobicContact CZ-CZ2 3.94Å
197S57.5Low67.8Low52 Ų5279.1 Ų79.136%0.36442%0.423SS..  trans-64117.2167.1-61.40000105.4M195 D199 W200M195-S197 PolarHBondContact O-N 2.96Å; S197-D199 PolarHBondContact O-N 2.95Å; S197-W200 PolarHBondContact O-N 3.41Å
198G62.8Low66.8Low40 Ų4082.6 Ų82.641%0.41244%0.44SS..G310 helixtrans-49.5-18.5-176.900000114F196 W200 L201 R202F196-G198 PolarHBondContact O-N 3.31Å; F196-G198 VanDerWaalsContact O-N 3.17Å; G198-W200 PolarHBondContact O-N 3.14Å; G198-L201 WeakPolarHBondContact O-CB 3.35Å; G198-L201 PolarHBondContact O-N 3.49Å; G198-R202 WeakPolarHBondContact O-CG 3.47Å; G198-R202 PolarHBondContact O-N 3.39Å
199D64.1Low65.7Low86 Ų8684 Ų8446%0.4645%0.45SS..G310 helixtrans-46.6-35.6169.9-50.7-20.2000114.8S197 L201 R202 P203S197-D199 PolarHBondContact O-N 2.95Å; D199-L201 VanDerWaalsContact C-N 3.32Å; D199-L201 PolarHBondContact O-N 3.48Å; D199-R202 PolarHBondContact O-N 3.31Å; D199-R202 IonicContact OD1-CZ 3.09Å; D199-R202 IonicContact OD1-NE 2.99Å; D199-R202 PolarHBondContact OD1-NE 3.26Å; D199-R202 VanDerWaalsContact OD1-NE 3.08Å; D199-R202 IonicContact OD1-NH2 3.87Å; D199-P203 VanDerWaalsContact O-CD 3.31Å; D199-P203 WeakPolarHBondContact O-CD 3.29Å
200W64.1Low65Low46 Ų4685.6 Ų85.617%0.17446%0.459CS..G310 helixtrans-73.2-24.917877.6-94.2000113L161 F182 L185 L189 F196 S197 G198 I204L161-W200 HydrophobicContact CD2-CE3 4.39Å; F182-W200 HydrophobicContact CD1-CH2 4.46Å; F182-W200 HydrophobicContact CE1-CH2 4.47Å; L185-W200 HydrophobicContact CD1-CZ3 4.03Å; L189-W200 HydrophobicContact CD1-CD2 4.09Å; L189-W200 HydrophobicContact CD1-CG 4.46Å; L189-W200 HydrophobicContact CD1-CZ2 4.26Å; F196-W200 AromaticContact CD1-CE2 3.46Å; F196-W200 VanDerWaalsContact CD1-CE2 3.46Å; F196-W200 AromaticContact CD1-CZ2 3.33Å; F196-W200 HydrophobicContact CD1-CZ2 3.33Å; F196-W200 AromaticContact CD1-NE1 3.1Å; F196-W200 AromaticContact CE1-CE2 3.57Å; F196-W200 AromaticContact CE1-CH2 3.93Å; F196-W200 HydrophobicContact CE1-CH2 3.93Å; F196-W200 AromaticContact CE1-CZ2 3.03Å; F196-W200 HydrophobicContact CE1-CZ2 3.03Å; F196-W200 AromaticContact CE1-NE1 3.71Å; F196-W200 HydrophobicContact CG-CZ2 4.45Å; F196-W200 AromaticContact CG-NE1 3.51Å; F196-W200 AromaticContact CZ-CZ2 3.94Å; F196-W200 HydrophobicContact CZ-CZ2 3.94Å; S197-W200 PolarHBondContact O-N 3.41Å; G198-W200 PolarHBondContact O-N 3.14Å; W200-I204 HydrophobicContact CE3-CD1 4.22Å; W200-I204 HydrophobicContact CZ3-CD1 4.01Å
201L68.3Low64.2Low51 Ų5186.5 Ų86.527%0.26746%0.459SS..THydrogen-bonded Turntrans-86-22.5177.1-76.8168.5000113.2G198 D199 I204 L205G198-L201 WeakPolarHBondContact O-CB 3.35Å; G198-L201 PolarHBondContact O-N 3.49Å; D199-L201 VanDerWaalsContact C-N 3.32Å; D199-L201 PolarHBondContact O-N 3.48Å; L201-I204 HydrophobicContact CD2-CD1 4.29Å; L201-I204 PolarHBondContact O-N 3.04Å; L201-I204 VanDerWaalsContact O-N 3.11Å; L201-L205 HydrophobicContact CB-CD1 4.08Å; L201-L205 HydrophobicContact CD2-CD1 4.44Å; L201-L205 PolarHBondContact O-N 3.41Å
202R70.2Confident63.6Low54 Ų5487.6 Ų87.620%0.20447%0.466CS..Hα-helixtrans-58.6-43.4-173.5-65.1173.7-170-9017.5113.6G198 D199 I204 L205 N206 L207 T209 D210G198-R202 WeakPolarHBondContact O-CG 3.47Å; G198-R202 PolarHBondContact O-N 3.39Å; D199-R202 PolarHBondContact O-N 3.31Å; D199-R202 IonicContact OD1-CZ 3.09Å; D199-R202 IonicContact OD1-NE 2.99Å; D199-R202 PolarHBondContact OD1-NE 3.26Å; D199-R202 VanDerWaalsContact OD1-NE 3.08Å; D199-R202 IonicContact OD1-NH2 3.87Å; R202-I204 VanDerWaalsContact C-N 3.32Å; R202-I204 PolarHBondContact O-N 2.95Å; R202-L205 PolarHBondContact O-N 2.72Å; R202-N206 WeakPolarHBondContact O-CA 3.49Å; R202-N206 PolarHBondContact O-N 3.09Å; R202-L207 PolarHBondContact O-N 3.36Å; R202-T209 PolarHBondContact NH1-O 3.22Å; R202-T209 PolarHBondContact NH1-OG1 2.81Å; R202-D210 VanDerWaalsContact CD-CG 3.4Å; R202-D210 WeakPolarHBondContact CD-OD1 3.35Å; R202-D210 WeakPolarHBondContact CD-OD2 3.49Å; R202-D210 IonicContact CZ-OD1 3.98Å; R202-D210 IonicContact NE-OD1 3.08Å; R202-D210 PolarHBondContact NE-OD1 3.05Å; R202-D210 IonicContact NE-OD2 3.46Å; R202-D210 IonicContact NH1-OD1 3.76Å; R202-D210 PolarHBondContact NH1-OD1 2.82Å; R202-D210 IonicContact NH2-OD1 2.8Å; R202-D210 PolarHBondContact NH2-OD1 2.8Å
203P66.2Low63.3Low86 Ų8688 Ų8856%0.55848%0.476SS*.Hα-helixtrans-66.2-33.2176.6-21.234.4000113D199D199-P203 VanDerWaalsContact O-CD 3.31Å; D199-P203 WeakPolarHBondContact O-CD 3.29Å
204I64.9Low63.2Low12 Ų1280.5 Ų80.56%0.06244%0.439CS..Hα-helixtrans-69.7-43.9178.9-62.6165000110.3L161 L164 W200 L201 R202L161-I204 HydrophobicContact CD2-CD1 3.59Å; L161-I204 HydrophobicContact CD2-CG1 4.09Å; L164-I204 HydrophobicContact CB-CD1 4.47Å; L164-I204 HydrophobicContact CB-CG1 4.29Å; L164-I204 HydrophobicContact CB-CG2 4.36Å; L164-I204 HydrophobicContact CD1-CD1 3.78Å; L164-I204 HydrophobicContact CD1-CG1 4.48Å; W200-I204 HydrophobicContact CE3-CD1 4.22Å; W200-I204 HydrophobicContact CZ3-CD1 4.01Å; L201-I204 HydrophobicContact CD2-CD1 4.29Å; L201-I204 PolarHBondContact O-N 3.04Å; L201-I204 VanDerWaalsContact O-N 3.11Å; R202-I204 VanDerWaalsContact C-N 3.32Å; R202-I204 PolarHBondContact O-N 2.95Å
205L63.6Low63.9Low103 Ų10379.9 Ų79.954%0.53944%0.439SS..Hα-helixtrans-96.52.2-170.5-60175.5000113.5L201 R202 L207L201-L205 HydrophobicContact CB-CD1 4.08Å; L201-L205 HydrophobicContact CD2-CD1 4.44Å; L201-L205 PolarHBondContact O-N 3.41Å; R202-L205 PolarHBondContact O-N 2.72Å; L205-L207 HydrophobicContact CB-CD1 3.12Å; L205-L207 HydrophobicContact CB-CG 4.49Å; L205-L207 HydrophobicContact CD1-CD1 3.81Å; L205-L207 HydrophobicContact CG-CD1 4.1Å; L205-L207 PolarHBondContact O-N 2.84Å; L205-L207 VanDerWaalsContact O-N 3.08Å
206N62.2Low64.7Low117 Ų11776.5 Ų76.563%0.62642%0.418SS*.THydrogen-bonded Turntrans48.832.2-171.7-85.6-25.2000113.2R202 Q208R202-N206 WeakPolarHBondContact O-CA 3.49Å; R202-N206 PolarHBondContact O-N 3.09Å; N206-Q208 PolarHBondContact O-N 3.18Å
207L65.2Low65.7Low83 Ų8377.7 Ų77.744%0.43542%0.424SS..  trans-75.297173.8-88.890.2000109.2R202 L205 T209R202-L207 PolarHBondContact O-N 3.36Å; L205-L207 HydrophobicContact CB-CD1 3.12Å; L205-L207 HydrophobicContact CB-CG 4.49Å; L205-L207 HydrophobicContact CD1-CD1 3.81Å; L205-L207 HydrophobicContact CG-CD1 4.1Å; L205-L207 PolarHBondContact O-N 2.84Å; L205-L207 VanDerWaalsContact O-N 3.08Å; L207-T209 PolarHBondContact O-N 2.66Å
208Q59.9Low66.6Low163 Ų16378.7 Ų78.776%0.76242%0.424SS*.  trans-71.826.1175.9-63.1-160.7-4400114.6N206 D210 R222N206-Q208 PolarHBondContact O-N 3.18Å; Q208-D210 PolarHBondContact O-N 3.26Å; Q208-R222 PolarHBondContact O-NH2 3.17Å
209T56.5Low67.3Low54 Ų5481.8 Ų81.833%0.33142%0.423SS..  trans-100.736.7-16857.30000113.7R202 L207 F211R202-T209 PolarHBondContact NH1-O 3.22Å; R202-T209 PolarHBondContact NH1-OG1 2.81Å; L207-T209 PolarHBondContact O-N 2.66Å; T209-F211 VanDerWaalsContact CB-CE2 3.49Å; T209-F211 HydrophobicContact CG2-CE2 3.91Å; T209-F211 HydrophobicContact CG2-CZ 3.94Å; T209-F211 VanDerWaalsContact O-CD2 3.27Å; T209-F211 WeakPolarHBondContact O-CD2 2.93Å; T209-F211 PolarHBondContact O-N 3.19Å
210D62.6Low67.8Low54 Ų5481.1 Ų81.129%0.28942%0.418SS..  trans-7676.3167.9-82-40000110.4R202 Q208 S212 S213 L214R202-D210 VanDerWaalsContact CD-CG 3.4Å; R202-D210 WeakPolarHBondContact CD-OD1 3.35Å; R202-D210 WeakPolarHBondContact CD-OD2 3.49Å; R202-D210 IonicContact CZ-OD1 3.98Å; R202-D210 IonicContact NE-OD1 3.08Å; R202-D210 PolarHBondContact NE-OD1 3.05Å; R202-D210 IonicContact NE-OD2 3.46Å; R202-D210 IonicContact NH1-OD1 3.76Å; R202-D210 PolarHBondContact NH1-OD1 2.82Å; R202-D210 IonicContact NH2-OD1 2.8Å; R202-D210 PolarHBondContact NH2-OD1 2.8Å; Q208-D210 PolarHBondContact O-N 3.26Å; D210-S212 PolarHBondContact O-N 3.13Å; D210-S212 VanDerWaalsContact O-N 3.17Å; D210-S213 PolarHBondContact O-N 3.25Å; D210-S213 PolarHBondContact O-OG 2.85Å; D210-L214 VanDerWaalsContact O-CD1 3.24Å; D210-L214 WeakPolarHBondContact O-CD1 3.3Å
211F62.2Low68.6Low129 Ų12985.8 Ų85.857%0.56644%0.435SS*.THydrogen-bonded Turntrans-63.3-16177.8-62.8-67.1000114.2T209 L214T209-F211 VanDerWaalsContact CB-CE2 3.49Å; T209-F211 HydrophobicContact CG2-CE2 3.91Å; T209-F211 HydrophobicContact CG2-CZ 3.94Å; T209-F211 VanDerWaalsContact O-CD2 3.27Å; T209-F211 WeakPolarHBondContact O-CD2 2.93Å; T209-F211 PolarHBondContact O-N 3.19Å; F211-L214 HydrophobicContact CD1-CD1 4.1Å
212S65.8Low69Low112 Ų11286.1 Ų86.178%0.78343%0.433SS*.THydrogen-bonded Turntrans-76.6-34.3-178.255.20000113.6D210D210-S212 PolarHBondContact O-N 3.13Å; D210-S212 VanDerWaalsContact O-N 3.17Å
213S68.4Low69.4Low91 Ų9188 Ų8864%0.63645%0.447SS*.THydrogen-bonded Turntrans-89.5-12.8-177.461.60000113.5D210 T215D210-S213 PolarHBondContact O-N 3.25Å; D210-S213 PolarHBondContact O-OG 2.85Å; S213-T215 PolarHBondContact O-N 3.33Å
214L67.9Low69.9Low21 Ų2188.8 Ų88.811%0.1144%0.44CS..  trans-74.3123.2-177.5-75146000112D210 F211 E218 R219 R222D210-L214 VanDerWaalsContact O-CD1 3.24Å; D210-L214 WeakPolarHBondContact O-CD1 3.3Å; F211-L214 HydrophobicContact CD1-CD1 4.1Å; L214-E218 HydrophobicContact CD2-CB 3.73Å; L214-E218 HydrophobicContact CD2-CG 3.27Å; L214-R219 HydrophobicContact CB-CG 3.93Å; L214-R219 PolarHBondContact O-NE 3.1Å; L214-R222 VanDerWaalsContact CD1-NH2 3.34Å
215T78.8Confident70.6Confident79 Ų7993.4 Ų93.449%0.48546%0.461SS..  trans-59161.2169.8620000110.4S213 E217 E218 R219S213-T215 PolarHBondContact O-N 3.33Å; T215-E217 PolarHBondContact O-N 3.19Å; T215-E218 PolarHBondContact O-N 2.94Å; T215-E218 WeakPolarHBondContact OG1-CB 3.36Å; T215-E218 PolarHBondContact OG1-N 3.33Å; T215-R219 PolarHBondContact O-N 3.05Å; T215-R219 VanDerWaalsContact O-N 3.14Å
216R72.4Confident71.2Confident84 Ų8495.8 Ų95.832%0.31747%0.469SS..Hα-helixtrans-57.2-39.1175.7177.5-175.7-178.7167.71.9110.4R219 M220R216-R219 PolarHBondContact O-N 3.07Å; R216-M220 WeakPolarHBondContact O-CG 3.47Å; R216-M220 PolarHBondContact O-N 3.35Å
217E75.3Confident71.7Confident114 Ų11490.8 Ų90.853%0.53344%0.442SS..Hα-helixtrans-66.9-44.1-177.6-66.463.8-13700111.6T215 R219 M220 R221T215-E217 PolarHBondContact O-N 3.19Å; E217-R219 VanDerWaalsContact C-N 3.34Å; E217-R219 PolarHBondContact O-N 3.09Å; E217-M220 HydrophobicContact CG-CE 4.31Å; E217-M220 WeakPolarHBondContact O-CB 3.26Å; E217-M220 PolarHBondContact O-N 3.48Å; E217-R221 PolarHBondContact O-N 3.01Å
218E77.6Confident72.3Confident74 Ų7490.8 Ų90.835%0.34645%0.447SS..Hα-helixtrans-69.7-33.6179.2-164.159.2-154.300111.9L214 T215 R221 R222L214-E218 HydrophobicContact CD2-CB 3.73Å; L214-E218 HydrophobicContact CD2-CG 3.27Å; T215-E218 PolarHBondContact O-N 2.94Å; T215-E218 WeakPolarHBondContact OG1-CB 3.36Å; T215-E218 PolarHBondContact OG1-N 3.33Å; E218-R221 PolarHBondContact O-N 3.31Å; E218-R222 PolarHBondContact O-N 3.08Å; E218-R222 VanDerWaalsContact O-N 3.13Å
219R77.1Confident73Confident105 Ų10586.8 Ų86.840%0.39644%0.442SS..Hα-helixtrans-62.4-47169.8-78-176.6-81.3177.4-11.6112.1L214 T215 R216 E217 R221 R222 D223L214-R219 HydrophobicContact CB-CG 3.93Å; L214-R219 PolarHBondContact O-NE 3.1Å; T215-R219 PolarHBondContact O-N 3.05Å; T215-R219 VanDerWaalsContact O-N 3.14Å; R216-R219 PolarHBondContact O-N 3.07Å; E217-R219 VanDerWaalsContact C-N 3.34Å; E217-R219 PolarHBondContact O-N 3.09Å; R219-R221 VanDerWaalsContact C-N 3.27Å; R219-R221 PolarHBondContact O-N 2.76Å; R219-R222 PolarHBondContact O-N 3.35Å; R219-D223 PolarHBondContact O-N 3.07Å
220M75.1Confident73.7Confident72 Ų7287.5 Ų87.536%0.35545%0.453SS..Hα-helixtrans-58.5-43176.5-71.1-170.4-54.900111.1R216 E217 R222 D223 Y224R216-M220 WeakPolarHBondContact O-CG 3.47Å; R216-M220 PolarHBondContact O-N 3.35Å; E217-M220 HydrophobicContact CG-CE 4.31Å; E217-M220 WeakPolarHBondContact O-CB 3.26Å; E217-M220 PolarHBondContact O-N 3.48Å; M220-R222 PolarHBondContact O-N 2.98Å; M220-D223 PolarHBondContact O-N 2.91Å; M220-Y224 WeakPolarHBondContact O-CD2 3.44Å; M220-Y224 PolarHBondContact O-N 2.84Å
221R79.8Confident73.9Confident143 Ų14387.9 Ų87.954%0.5445%0.452SS..Hα-helixtrans-58.9-47.2178.8-173.9-177.4179.2159.35.1112.1E217 E218 R219 Y224 E225E217-R221 PolarHBondContact O-N 3.01Å; E218-R221 PolarHBondContact O-N 3.31Å; R219-R221 VanDerWaalsContact C-N 3.27Å; R219-R221 PolarHBondContact O-N 2.76Å; R221-Y224 CarbonylContact O-C 3.4Å; R221-Y224 WeakPolarHBondContact O-CB 3.4Å; R221-Y224 PolarHBondContact O-N 3.36Å; R221-E225 IonicContact CZ-OE1 3.45Å; R221-E225 IonicContact NE-OE1 3.22Å; R221-E225 PolarHBondContact NE-OE1 3.4Å; R221-E225 VanDerWaalsContact NE-OE1 3.09Å; R221-E225 WeakPolarHBondContact O-CG 3.48Å; R221-E225 PolarHBondContact O-N 3.26Å
222R76.8Confident74.3Confident58 Ų5886 Ų8622%0.21944%0.444CS..Hα-helixtrans-62.8-43.4176.4-73.1-145.6-151.5116.9-8.7113Q208 L214 E218 R219 M220 Y224 E225 H226Q208-R222 PolarHBondContact O-NH2 3.17Å; L214-R222 VanDerWaalsContact CD1-NH2 3.34Å; E218-R222 PolarHBondContact O-N 3.08Å; E218-R222 VanDerWaalsContact O-N 3.13Å; R219-R222 PolarHBondContact O-N 3.35Å; M220-R222 PolarHBondContact O-N 2.98Å; R222-Y224 PolarHBondContact O-N 3.17Å; R222-E225 PolarHBondContact O-N 3.36Å; R222-H226 PolarHBondContact O-CD2 3.02Å; R222-H226 PolarHBondContact O-N 3.13Å
223D78.6Confident74.3Confident94 Ų9484.2 Ų84.250%0.50343%0.431SS..Hα-helixtrans-59.3-39.4176.8-67.9-19000110.5R219 M220 M227R219-D223 PolarHBondContact O-N 3.07Å; M220-D223 PolarHBondContact O-N 2.91Å; D223-M227 WeakPolarHBondContact O-CB 3.48Å; D223-M227 PolarHBondContact O-N 2.99Å
224Y77Confident74.2Confident103 Ų10390 Ų9040%0.40444%0.439SS..Hα-helixtrans-65.3-44171-83.5-68.5000112.3M220 R221 R222 M227 K232 L235 V269M220-Y224 WeakPolarHBondContact O-CD2 3.44Å; M220-Y224 PolarHBondContact O-N 2.84Å; R221-Y224 CarbonylContact O-C 3.4Å; R221-Y224 WeakPolarHBondContact O-CB 3.4Å; R221-Y224 PolarHBondContact O-N 3.36Å; R222-Y224 PolarHBondContact O-N 3.17Å; Y224-M227 VanDerWaalsContact O-CB 3.31Å; Y224-M227 WeakPolarHBondContact O-CB 3.4Å; Y224-M227 PolarHBondContact O-N 3.29Å; Y224-K232 WeakPolarHBondContact O-CE 3.26Å; Y224-K232 PolarHBondContact O-NZ 3.1Å; Y224-L235 HydrophobicContact CE1-CD1 4.12Å; Y224-V269 HydrophobicContact CD1-CG1 3.98Å; Y224-V269 HydrophobicContact CE1-CG1 3.74Å; Y224-V269 HydrophobicContact CG-CG1 4.49Å
225E80.4Confident74Confident108 Ų10892.3 Ų92.351%0.50545%0.451SS..Hα-helixtrans-61.7-45.7-179.5-76.7173.5-174.100112R221 R222 M227 K232R221-E225 IonicContact CZ-OE1 3.45Å; R221-E225 IonicContact NE-OE1 3.22Å; R221-E225 PolarHBondContact NE-OE1 3.4Å; R221-E225 VanDerWaalsContact NE-OE1 3.09Å; R221-E225 WeakPolarHBondContact O-CG 3.48Å; R221-E225 PolarHBondContact O-N 3.26Å; R222-E225 PolarHBondContact O-N 3.36Å; E225-M227 PolarHBondContact O-N 2.94Å; E225-K232 PolarHBondContact O-NZ 3.5Å
226H75.6Confident73.2Confident154 Ų15495.8 Ų95.871%0.71346%0.46SS*.THydrogen-bonded Turntrans-73.5-7.8177.3-68.1-63.7000114.4R222R222-H226 PolarHBondContact O-CD2 3.02Å; R222-H226 PolarHBondContact O-N 3.13Å
227M72.3Confident72.4Confident11 Ų1198.1 Ų98.15%0.05449%0.485CS..SBendtrans-72.5126.8178.3-167-177.1-16800111.1D223 Y224 E225 A229 K231 K232 L235 V269D223-M227 WeakPolarHBondContact O-CB 3.48Å; D223-M227 PolarHBondContact O-N 2.99Å; Y224-M227 VanDerWaalsContact O-CB 3.31Å; Y224-M227 WeakPolarHBondContact O-CB 3.4Å; Y224-M227 PolarHBondContact O-N 3.29Å; E225-M227 PolarHBondContact O-N 2.94Å; M227-A229 PolarHBondContact O-N 3.48Å; M227-K231 HydrophobicContact CE-CB 3.48Å; M227-K231 VanDerWaalsContact CE-CB 3.48Å; M227-K231 HydrophobicContact CE-CD 3.69Å; M227-K231 HydrophobicContact CE-CG 3.34Å; M227-K231 HydrophobicContact CG-CB 3.98Å; M227-K231 HydrophobicContact CG-CD 4.36Å; M227-K231 HydrophobicContact SD-CB 4.37Å; M227-K232 HydrophobicContact CB-CG 4.29Å; M227-K232 HydrophobicContact CG-CG 4.31Å; M227-K232 WeakPolarHBondContact O-CE 3.45Å; M227-K232 PolarHBondContact O-NZ 3.47Å; M227-K232 HydrophobicContact SD-CG 4.1Å; M227-L235 HydrophobicContact CE-CD1 3.34Å; M227-L235 HydrophobicContact CE-CG 3.85Å; M227-L235 HydrophobicContact SD-CD1 3.64Å; M227-V269 HydrophobicContact CE-CB 4.12Å; M227-V269 HydrophobicContact CE-CG1 4.31Å; M227-V269 HydrophobicContact CE-CG2 3.7Å; M227-V269 HydrophobicContact CG-CG2 4.27Å; M227-V269 HydrophobicContact SD-CB 4.18Å; M227-V269 HydrophobicContact SD-CG1 3.76Å; M227-V269 HydrophobicContact SD-CG2 3.81Å
228P78.1Confident71Confident83 Ų8397.4 Ų97.454%0.53949%0.489SS..  trans-59.4140.417919.2-28.6000111.4A230 K231 K232P228-A230 PolarHBondContact O-N 3.38Å; P228-A230 VanDerWaalsContact O-N 3.11Å; P228-K231 HydrophobicContact CG-CB 4.19Å; P228-K231 HydrophobicContact CG-CD 4.37Å; P228-K231 WeakPolarHBondContact O-CA 3.32Å; P228-K231 WeakPolarHBondContact O-CB 3.43Å; P228-K231 PolarHBondContact O-N 2.94Å; P228-K232 PolarHBondContact O-N 2.87Å
229A73.8Confident69.5Low79 Ų7999.4 Ų99.465%0.65351%0.512SS*.Hα-helixtrans-55.6-34.7-171.800000113.8M227 K231 K232 S233M227-A229 PolarHBondContact O-N 3.48Å; A229-K231 PolarHBondContact O-N 3.35Å; A229-K232 PolarHBondContact O-N 3.05Å; A229-S233 PolarHBondContact O-N 3.36Å
230A72.5Confident68Low69 Ų69103.3 Ų103.357%0.5753%0.526SS*.Hα-helixtrans-63-23.3175.800000113.9P228 S233 R234P228-A230 PolarHBondContact O-N 3.38Å; P228-A230 VanDerWaalsContact O-N 3.11Å; A230-S233 PolarHBondContact O-OG 3.43Å; A230-R234 WeakPolarHBondContact O-CG 3.4Å
231K67.3Low66.6Low63 Ų63107.9 Ų107.927%0.27455%0.551SS.*Hα-helixtrans-91.2-34179.3-142.1175.9171.6172.10110.4M227 P228 A229 S233 R234 L235 D267M227-K231 HydrophobicContact CE-CB 3.48Å; M227-K231 VanDerWaalsContact CE-CB 3.48Å; M227-K231 HydrophobicContact CE-CD 3.69Å; M227-K231 HydrophobicContact CE-CG 3.34Å; M227-K231 HydrophobicContact CG-CB 3.98Å; M227-K231 HydrophobicContact CG-CD 4.36Å; M227-K231 HydrophobicContact SD-CB 4.37Å; P228-K231 HydrophobicContact CG-CB 4.19Å; P228-K231 HydrophobicContact CG-CD 4.37Å; P228-K231 WeakPolarHBondContact O-CA 3.32Å; P228-K231 WeakPolarHBondContact O-CB 3.43Å; P228-K231 PolarHBondContact O-N 2.94Å; A229-K231 PolarHBondContact O-N 3.35Å; K231-S233 VanDerWaalsContact C-N 3.34Å; K231-S233 PolarHBondContact O-N 3.3Å; K231-R234 PolarHBondContact O-N 2.99Å; K231-L235 PolarHBondContact O-N 3.45Å; K231-D267 IonicContact NZ-OD2 2.64Å; K231-D267 PolarHBondContact NZ-OD2 3.45Å
232K69.6Low64.9Low90 Ų90109.1 Ų109.139%0.39156%0.561SS.*Hα-helixtrans-58.2-40.7172.7-73.2175.7176.4163.60112.7Y224 E225 M227 P228 A229 R234 L235Y224-K232 WeakPolarHBondContact O-CE 3.26Å; Y224-K232 PolarHBondContact O-NZ 3.1Å; E225-K232 PolarHBondContact O-NZ 3.5Å; M227-K232 HydrophobicContact CB-CG 4.29Å; M227-K232 HydrophobicContact CG-CG 4.31Å; M227-K232 WeakPolarHBondContact O-CE 3.45Å; M227-K232 PolarHBondContact O-NZ 3.47Å; M227-K232 HydrophobicContact SD-CG 4.1Å; P228-K232 PolarHBondContact O-N 2.87Å; A229-K232 PolarHBondContact O-N 3.05Å; K232-R234 VanDerWaalsContact C-N 3.33Å; K232-R234 PolarHBondContact O-N 3.29Å; K232-L235 PolarHBondContact O-N 3.16Å
233S66.7Low63.1Low74 Ų74110.8 Ų110.852%0.51758%0.58SS.*G310 helixtrans-68.4-30.4-180680000113.5A229 A230 K231A229-S233 PolarHBondContact O-N 3.36Å; A230-S233 PolarHBondContact O-OG 3.43Å; K231-S233 VanDerWaalsContact C-N 3.34Å; K231-S233 PolarHBondContact O-N 3.3Å
234R65.7Low61.9Low212 Ų212114 Ų11480%0.860%0.597SS**G310 helixtrans-78.3-17.8-179.5-65.2179.1-173.9-133.71.7114A230 K231 K232A230-R234 WeakPolarHBondContact O-CG 3.4Å; K231-R234 PolarHBondContact O-N 2.99Å; K232-R234 VanDerWaalsContact C-N 3.33Å; K232-R234 PolarHBondContact O-N 3.29Å
235L63.4Low60.8Low69 Ų69117.5 Ų117.536%0.36161%0.614SS.*G310 helixtrans-82.4-13.4176.2-72.1-178.9000113.2Y224 M227 K231 K232 V269 I270Y224-L235 HydrophobicContact CE1-CD1 4.12Å; M227-L235 HydrophobicContact CE-CD1 3.34Å; M227-L235 HydrophobicContact CE-CG 3.85Å; M227-L235 HydrophobicContact SD-CD1 3.64Å; K231-L235 PolarHBondContact O-N 3.45Å; K232-L235 PolarHBondContact O-N 3.16Å; L235-V269 HydrophobicContact CD1-CB 4.45Å; L235-V269 HydrophobicContact CD1-CG1 4.15Å; L235-I270 HydrophobicContact CD2-CD1 3.95Å; L235-I270 HydrophobicContact CD2-CG1 4.44Å
236K61.9Low59.9Low153 Ų153117.5 Ų117.567%0.66563%0.626SS**SBendtrans-61.5133173.9-76.2-174175.2-1770108.9T238K236-T238 PolarHBondContact O-N 2.64Å
237P54.7Low59.5Low132 Ų132114.8 Ų114.886%0.85761%0.612SS**  trans-75.770.1-177.832.9-33.8000109.1S239P237-S239 PolarHBondContact O-N 3.28Å
238T46.2Very low59.6Low99 Ų99117.8 Ų117.861%0.60763%0.634SS**  trans-69.4116.915525.80000106.3K236 R240K236-T238 PolarHBondContact O-N 2.64Å; T238-R240 PolarHBondContact O-N 3.39Å
239S47.4Very low59.1Low117 Ų117119 Ų11982%0.81864%0.642SS**  trans-4918.2-179.651.20000117.6P237 L241P237-S239 PolarHBondContact O-N 3.28Å; S239-L241 PolarHBondContact O-N 3.11Å
240R45.7Very low59.2Low187 Ų187118.9 Ų118.971%0.70665%0.648SS**  trans-75.971.5170-73.8-171.5-88.8-158.5-6.2109.5T238 F242T238-R240 PolarHBondContact O-N 3.39Å; R240-F242 HydrophobicContact CB-CD2 4.26Å; R240-F242 HydrophobicContact CB-CE2 4.25Å; R240-F242 PolarHBondContact O-N 3.16Å
241L44.9Very low59.7Low168 Ų168119.6 Ų119.688%0.8864%0.643SS**  trans-49.491.7142.8-80.9155.9000106.1S239 C243S239-L241 PolarHBondContact O-N 3.11Å; L241-C243 PolarHBondContact O-N 3.38Å
242F44.3Very low59.8Low168 Ų168125.9 Ų125.974%0.73767%0.67SS**  trans-63.889.3159.3-87.5-88.3000105.1R240 L244R240-F242 HydrophobicContact CB-CD2 4.26Å; R240-F242 HydrophobicContact CB-CE2 4.25Å; R240-F242 PolarHBondContact O-N 3.16Å; F242-L244 PolarHBondContact O-N 3.04Å
243C38.7Very low60Low94 Ų94127.4 Ų127.464%0.63568%0.682SS**  trans-57.695.7156.9-175.30000104.6L241 K245L241-C243 PolarHBondContact O-N 3.38Å; C243-K245 PolarHBondContact O-N 2.9Å
244L53.2Low60.7Low162 Ų162127.7 Ų127.785%0.84867%0.674SS**  trans-64.179164.1-72.2167.7000105.4F242 S246F242-L244 PolarHBondContact O-N 3.04Å; L244-S246 PolarHBondContact O-N 3.08Å
245K55Low61.1Low175 Ų175121.8 Ų121.876%0.76166%0.658SS**  trans-59.1112.5166.4-71.9-174.5176.4-179.30105.3C243 K247C243-K245 PolarHBondContact O-N 2.9Å; K245-K247 PolarHBondContact O-N 3.33Å; K245-K247 VanDerWaalsContact O-N 3.13Å
246S61.6Low61.7Low109 Ų109122.8 Ų122.876%0.76268%0.676SS**  trans-56.5115.4168.8470000107.1L244L244-S246 PolarHBondContact O-N 3.08Å
247K66.7Low62.4Low96 Ų96125.6 Ų125.642%0.41768%0.683SS.*  trans-63.8136.8176.1-68.2-172.3172.9-164.70108.8K245 D251 K252 D253 F254K245-K247 PolarHBondContact O-N 3.33Å; K245-K247 VanDerWaalsContact O-N 3.13Å; K247-D251 HydrophobicContact CB-CB 4.14Å; K247-D251 HydrophobicContact CD-CB 4.48Å; K247-K252 PolarHBondContact NZ-O 2.92Å; K247-D253 HydrophobicContact CD-CB 4.34Å; K247-D253 IonicContact NZ-OD2 3.66Å; K247-D253 PolarHBondContact NZ-OD2 3.43Å; K247-F254 VanDerWaalsContact O-CD2 3.26Å; K247-F254 WeakPolarHBondContact O-CD2 3.47Å
248S73.5Confident63.4Low74 Ų74124.2 Ų124.252%0.51768%0.682SS.*  trans-84.7155.5-177.7-710000110.6G250 D251 F254S248-G250 PolarHBondContact O-N 3.48Å; S248-D251 PolarHBondContact N-OD2 2.89Å; S248-D251 PolarHBondContact O-N 2.9Å; S248-D251 VanDerWaalsContact O-N 3.09Å; S248-F254 VanDerWaalsContact C-CD2 3.45Å; S248-F254 WeakPolarHBondContact O-CD2 3.27Å; S248-F254 WeakPolarHBondContact O-CG 3.41Å
249P68.9Low64.7Low109 Ų109129.3 Ų129.371%0.70869%0.69SS**THydrogen-bonded Turntrans-54.4113.2172.6-19.228.9000110.6F254P249-F254 HydrophobicContact CB-CD1 4.25Å; P249-F254 HydrophobicContact CB-CE1 3.79Å; P249-F254 HydrophobicContact CB-CE2 4.29Å; P249-F254 HydrophobicContact CB-CZ 3.82Å; P249-F254 HydrophobicContact CG-CE1 4.09Å; P249-F254 HydrophobicContact CG-CE2 3.89Å; P249-F254 HydrophobicContact CG-CZ 3.58Å
250G75.4Confident66Low76 Ų76129.9 Ų129.978%0.78469%0.688SS**THydrogen-bonded Turntrans123-20.6-176.300000114.8S248S248-G250 PolarHBondContact O-N 3.48Å
251D83.3Confident67.4Low85 Ų85126.4 Ų126.446%0.45569%0.69SS.*SBendtrans-71.5144.2176.5-72.7-33.7000111.9K247 S248 D253 F254K247-D251 HydrophobicContact CB-CB 4.14Å; K247-D251 HydrophobicContact CD-CB 4.48Å; S248-D251 PolarHBondContact N-OD2 2.89Å; S248-D251 PolarHBondContact O-N 2.9Å; S248-D251 VanDerWaalsContact O-N 3.09Å; D251-D253 PolarHBondContact O-N 3.5Å; D251-F254 VanDerWaalsContact O-CB 3.29Å; D251-F254 WeakPolarHBondContact O-CB 3.35Å; D251-F254 PolarHBondContact O-N 2.89Å
252K68.9Low68.8Low195 Ų195127.6 Ų127.685%0.84869%0.688SS**THydrogen-bonded Turntrans-60.5122.8170.3-147.4172.9-176-179.10108.1K247K247-K252 PolarHBondContact NZ-O 2.92Å
253D74.1Confident70.1Confident121 Ų121125.3 Ų125.365%0.64769%0.69SS**THydrogen-bonded Turntrans80.314.4-167.9-29.6-48.5000117.5K247 D251 I255K247-D253 HydrophobicContact CD-CB 4.34Å; K247-D253 IonicContact NZ-OD2 3.66Å; K247-D253 PolarHBondContact NZ-OD2 3.43Å; D251-D253 PolarHBondContact O-N 3.5Å; D253-I255 PolarHBondContact O-N 3.34Å
254F82.1Confident71.5Confident80 Ų80124.2 Ų124.235%0.35168%0.683SS.*  trans-67.2120.6163.9178.4-100.9000109.9K247 S248 P249 D251 A256K247-F254 VanDerWaalsContact O-CD2 3.26Å; K247-F254 WeakPolarHBondContact O-CD2 3.47Å; S248-F254 VanDerWaalsContact C-CD2 3.45Å; S248-F254 WeakPolarHBondContact O-CD2 3.27Å; S248-F254 WeakPolarHBondContact O-CG 3.41Å; P249-F254 HydrophobicContact CB-CD1 4.25Å; P249-F254 HydrophobicContact CB-CE1 3.79Å; P249-F254 HydrophobicContact CB-CE2 4.29Å; P249-F254 HydrophobicContact CB-CZ 3.82Å; P249-F254 HydrophobicContact CG-CE1 4.09Å; P249-F254 HydrophobicContact CG-CE2 3.89Å; P249-F254 HydrophobicContact CG-CZ 3.58Å; D251-F254 VanDerWaalsContact O-CB 3.29Å; D251-F254 WeakPolarHBondContact O-CB 3.35Å; D251-F254 PolarHBondContact O-N 2.89Å; F254-A256 HydrophobicContact CE1-CB 3.9Å
255I73Confident72.1Confident89 Ų89123 Ų12346%0.45668%0.683SS.*  trans-112.6109.6176.8-59.1170.8000107.1D253 R257 R259D253-I255 PolarHBondContact O-N 3.34Å; I255-R257 HydrophobicContact CG2-CB 4.38Å; I255-R257 PolarHBondContact O-N 3.49Å; I255-R259 VanDerWaalsContact CD1-NH2 3.31Å
256A77.1Confident72.5Confident89 Ų89122.1 Ų122.174%0.73668%0.679SS**SBendtrans-62.6-14.7-177.600000114F254F254-A256 HydrophobicContact CE1-CB 3.9Å
257R76.7Confident72.5Confident213 Ų213122.3 Ų122.380%0.80467%0.672SS**SBendtrans-98.8130.7178.2-62.5-176.2178.4-166.1-0.6110.4I255 R259I255-R257 HydrophobicContact CG2-CB 4.38Å; I255-R257 PolarHBondContact O-N 3.49Å; R257-R259 PolarHBondContact O-N 2.66Å
258A75.1Confident72.4Confident102 Ų102126.7 Ų126.784%0.84369%0.687SS**PPolyproline II helixtrans-55.7130.8174.300000110.7
259R73.5Confident72.1Confident206 Ų206124.3 Ų124.378%0.77767%0.669SS**PPolyproline II helixtrans-76.8128.5172.8-75.6-174.5165.8-178.9-2.6109.3I255 R257I255-R259 VanDerWaalsContact CD1-NH2 3.31Å; R257-R259 PolarHBondContact O-N 2.66Å
260V74.5Confident72Confident129 Ų129124.5 Ų124.578%0.78266%0.663SS**PPolyproline II helixtrans-59.1127.9172.1-178.10000108.8K262V260-K262 PolarHBondContact O-N 3.1Å; V260-K262 VanDerWaalsContact O-N 3.13Å
261P75.2Confident71.9Confident114 Ų114127.9 Ų127.974%0.7465%0.652SS**PPolyproline II helixtrans-57.8119.5176.3-22.432.3000109.6
262K74.9Confident71.4Confident194 Ų194128.8 Ų128.884%0.84366%0.662SS**PPolyproline II helixtrans-70.6134.4169.9-72.6-173.9176.7-179.20108.4V260 S264V260-K262 PolarHBondContact O-N 3.1Å; V260-K262 VanDerWaalsContact O-N 3.13Å; K262-S264 PolarHBondContact O-N 3.19Å
263P70Confident71.3Confident119 Ų119128.2 Ų128.277%0.77366%0.66SS**PPolyproline II helixtrans-56.2129.8174.621.8-30.4000109.1T265P263-T265 PolarHBondContact O-N 3.3Å
264S68.6Low71.2Confident71 Ų71125.8 Ų125.850%0.49765%0.653SS.*  trans-72.7109.5-176.8170.50000109.7K262 K266K262-S264 PolarHBondContact O-N 3.19Å; S264-K266 PolarHBondContact O-N 3.46Å; S264-K266 VanDerWaalsContact O-N 3.15Å; S264-K266 VanDerWaalsContact OG-CB 3.32Å; S264-K266 WeakPolarHBondContact OG-CB 3.43Å; S264-K266 WeakPolarHBondContact OG-CG 3.48Å; S264-K266 PolarHBondContact OG-N 3.01Å
265T65.7Low70.8Confident138 Ų138129.9 Ų129.985%0.84768%0.678SS**  trans-77.920.4169.646.30000113P263 D267P263-T265 PolarHBondContact O-N 3.3Å; T265-D267 PolarHBondContact O-N 2.81Å
266K63.1Low70.6Confident155 Ų155129.8 Ų129.867%0.67468%0.682SS**  trans-77.2109.3177.7-64.8175.2-178.5173.30109.3S264 Y268S264-K266 PolarHBondContact O-N 3.46Å; S264-K266 VanDerWaalsContact O-N 3.15Å; S264-K266 VanDerWaalsContact OG-CB 3.32Å; S264-K266 WeakPolarHBondContact OG-CB 3.43Å; S264-K266 WeakPolarHBondContact OG-CG 3.48Å; S264-K266 PolarHBondContact OG-N 3.01Å; K266-Y268 PolarHBondContact O-N 3.11Å
267D62.9Low69.9Low114 Ų114133.1 Ų133.161%0.6169%0.687SS**  trans-56128.5162.6-63.8-43.6000110.3K231 T265 V269K231-D267 IonicContact NZ-OD2 2.64Å; K231-D267 PolarHBondContact NZ-OD2 3.45Å; T265-D267 PolarHBondContact O-N 2.81Å; D267-V269 VanDerWaalsContact C-N 3.32Å; D267-V269 PolarHBondContact O-N 3.33Å
268Y63.3Low69.3Low188 Ų188126.7 Ų126.774%0.73767%0.671SS**  trans-77.876.8-179.2-67.4-88.3000111.2K266 I270K266-Y268 PolarHBondContact O-N 3.11Å; Y268-I270 VanDerWaalsContact C-N 3.27Å
269V67.3Low68.2Low24 Ų24126.8 Ų126.815%0.14566%0.657CS.*  trans-74.3-24.4170.8-178.50000111.2Y224 M227 L235 D267Y224-V269 HydrophobicContact CD1-CG1 3.98Å; Y224-V269 HydrophobicContact CE1-CG1 3.74Å; Y224-V269 HydrophobicContact CG-CG1 4.49Å; M227-V269 HydrophobicContact CE-CB 4.12Å; M227-V269 HydrophobicContact CE-CG1 4.31Å; M227-V269 HydrophobicContact CE-CG2 3.7Å; M227-V269 HydrophobicContact CG-CG2 4.27Å; M227-V269 HydrophobicContact SD-CB 4.18Å; M227-V269 HydrophobicContact SD-CG1 3.76Å; M227-V269 HydrophobicContact SD-CG2 3.81Å; L235-V269 HydrophobicContact CD1-CB 4.45Å; L235-V269 HydrophobicContact CD1-CG1 4.15Å; D267-V269 VanDerWaalsContact C-N 3.32Å; D267-V269 PolarHBondContact O-N 3.33Å
270I67.2Low67.3Low112 Ų112124.6 Ų124.657%0.57465%0.654SS**SBendtrans-9895.9171.7-57.4174.4000107.9L235 Y268L235-I270 HydrophobicContact CD2-CD1 3.95Å; L235-I270 HydrophobicContact CD2-CG1 4.44Å; Y268-I270 VanDerWaalsContact C-N 3.27Å
271R72.4Confident66.4Low148 Ų148123.9 Ų123.956%0.55866%0.655SS**PPolyproline II helixtrans-70.7128.7172.3-174.4177.2-168.7-163.62109.5K273R271-K273 PolarHBondContact O-N 3.26Å
272P73.4Confident65.3Low103 Ų103126.3 Ų126.367%0.66965%0.654SS**PPolyproline II helixtrans-54.5135.8173.919.7-29.8000110.4S274P272-S274 PolarHBondContact O-N 2.8Å
273K67.8Low64.1Low184 Ų184124.7 Ų124.780%0.865%0.647SS**PPolyproline II helixtrans-69.2129.7173-69.4-176.8179.9-178.80107.8R271 N275R271-K273 PolarHBondContact O-N 3.26Å; K273-N275 PolarHBondContact O-N 2.99Å
274S72.3Confident63.2Low70 Ų70120.8 Ų120.849%0.4962%0.622SS.*PPolyproline II helixtrans-56.6127.8170.4166.90000108.1P272 V276P272-S274 PolarHBondContact O-N 2.8Å; S274-V276 PolarHBondContact O-N 3.22Å; S274-V276 PolarHBondContact OG-N 2.9Å; S274-V276 VanDerWaalsContact OG-N 3.11Å; S274-V276 PolarHBondContact OG-O 2.93Å
275N73.5Confident62.8Low166 Ų166119.7 Ų119.789%0.88861%0.614SS**SBendtrans-805.9171.9-111.715.2000112.6K273K273-N275 PolarHBondContact O-N 2.99Å
276V68.9Low63.1Low87 Ų87117.1 Ų117.153%0.52760%0.602SS.*  trans-103.997.7179.1-175.80000107.7S274 V278S274-V276 PolarHBondContact O-N 3.22Å; S274-V276 PolarHBondContact OG-N 2.9Å; S274-V276 VanDerWaalsContact OG-N 3.11Å; S274-V276 PolarHBondContact OG-O 2.93Å; V276-V278 HydrophobicContact CG1-CB 3.82Å; V276-V278 HydrophobicContact CG1-CG2 3.48Å; V276-V278 VanDerWaalsContact CG1-CG2 3.48Å; V276-V278 PolarHBondContact O-N 3Å; V276-V278 VanDerWaalsContact O-N 3.08Å
277D62.5Low63.6Low158 Ų158115.1 Ų115.185%0.84560%0.598SS**  trans-80.950.9171.2-68-37000110.8
278V62.3Low64.3Low79 Ų79113.1 Ų113.148%0.47959%0.587SS.*  trans-109.8103.3176.1-1700000108.2V276 F280V276-V278 HydrophobicContact CG1-CB 3.82Å; V276-V278 HydrophobicContact CG1-CG2 3.48Å; V276-V278 VanDerWaalsContact CG1-CG2 3.48Å; V276-V278 PolarHBondContact O-N 3Å; V276-V278 VanDerWaalsContact O-N 3.08Å; V278-F280 WeakPolarHBondContact O-CD2 3.39Å; V278-F280 PolarHBondContact O-N 3.3Å
279D52.9Low65Low103 Ų103112.3 Ų112.355%0.55158%0.583SS**  trans-61.794.9169.1-74.8-28.6000109.5S281 K282D279-S281 PolarHBondContact O-N 3.36Å; D279-K282 PolarHBondContact O-N 2.98Å; D279-K282 VanDerWaalsContact O-N 3.16Å; D279-K282 IonicContact OD2-NZ 2.76Å
280F55.5Low65.8Low161 Ų161116.8 Ų116.871%0.70660%0.601SS**G310 helixtrans-60-15.3170.5-71-82.4000112.5V278 K282V278-F280 WeakPolarHBondContact O-CD2 3.39Å; V278-F280 PolarHBondContact O-N 3.3Å; F280-K282 VanDerWaalsContact C-N 3.3Å; F280-K282 PolarHBondContact O-N 3.38Å
281S55.2Low66.6Low114 Ų114116.5 Ų116.580%0.79760%0.599SS**G310 helixtrans-64-25.4175174.90000114D279D279-S281 PolarHBondContact O-N 3.36Å
282K51.8Low67.1Low165 Ų165116.3 Ų116.372%0.71760%0.598SS**G310 helixtrans-96.6-1.3-173.6-78.5176.4-177.4156.90115.8D279 F280 S284D279-K282 PolarHBondContact O-N 2.98Å; D279-K282 VanDerWaalsContact O-N 3.16Å; D279-K282 IonicContact OD2-NZ 2.76Å; F280-K282 VanDerWaalsContact C-N 3.3Å; F280-K282 PolarHBondContact O-N 3.38Å; K282-S284 PolarHBondContact O-N 3.46Å
283K48.8Very low67.8Low160 Ų160117.7 Ų117.770%0.69660%0.596SS**  trans-7978165.6-70.9-176.8-177.3177.60107.9S285K283-S285 PolarHBondContact O-N 3.46Å
284S51.9Low68.7Low36 Ų36113.6 Ų113.625%0.25258%0.582SS.*  trans-46.6113.516161.70000105.9K282K282-S284 PolarHBondContact O-N 3.46Å
285S61.1Low69.4Low48 Ų48116.5 Ų116.534%0.33659%0.586SS.*  trans-53.2149.2-173.364.80000108.1K283 L287 D288 R289K283-S285 PolarHBondContact O-N 3.46Å; S285-L287 CarbonylContact O-C 3.55Å; S285-L287 PolarHBondContact O-N 3.37Å; S285-D288 WeakPolarHBondContact CB-OD2 3.33Å; S285-D288 PolarHBondContact N-OD2 3.28Å; S285-D288 WeakPolarHBondContact O-CB 3.46Å; S285-D288 PolarHBondContact O-N 3.21Å; S285-D288 PolarHBondContact OG-N 2.91Å; S285-D288 VanDerWaalsContact OG-N 3.1Å; S285-D288 PolarHBondContact OG-OD2 3.12Å; S285-R289 PolarHBondContact O-N 3.37Å
286S71Confident69.9Low85 Ų85113 Ų11359%0.59457%0.567SS**Hα-helixtrans-48.3-27.9174.2-177.80000111.7K290S286-K290 PolarHBondContact O-N 3.31Å
287L74.7Confident70.6Confident113 Ų113116.7 Ų116.759%0.59257%0.571SS**Hα-helixtrans-69-44.2172.6-54.8-176.3000113.5S285 R289 K290 I291S285-L287 CarbonylContact O-C 3.55Å; S285-L287 PolarHBondContact O-N 3.37Å; L287-R289 VanDerWaalsContact C-N 3.27Å; L287-R289 PolarHBondContact O-N 3.04Å; L287-K290 CarbonylContact O-C 3.58Å; L287-K290 PolarHBondContact O-N 3.43Å; L287-K290 VanDerWaalsContact O-N 3.11Å; L287-I291 VanDerWaalsContact O-CG1 3.27Å; L287-I291 WeakPolarHBondContact O-CG1 3.47Å; L287-I291 PolarHBondContact O-N 3.02Å
288D76Confident71.4Confident71 Ų71113.8 Ų113.838%0.3856%0.555SS.*Hα-helixtrans-60.8-35.5176.3-68.8-53.3000112.8S285 R292S285-D288 WeakPolarHBondContact CB-OD2 3.33Å; S285-D288 PolarHBondContact N-OD2 3.28Å; S285-D288 WeakPolarHBondContact O-CB 3.46Å; S285-D288 PolarHBondContact O-N 3.21Å; S285-D288 PolarHBondContact OG-N 2.91Å; S285-D288 VanDerWaalsContact OG-N 3.1Å; S285-D288 PolarHBondContact OG-OD2 3.12Å; D288-R292 PolarHBondContact O-N 3.03Å
289R77.9Confident72.1Confident172 Ų172115.5 Ų115.565%0.64956%0.556SS**Hα-helixtrans-65.7-47.6172.1-75.1-174.6-175.5-177.7-0.3111.1S285 L287 I291 R292 E293S285-R289 PolarHBondContact O-N 3.37Å; L287-R289 VanDerWaalsContact C-N 3.27Å; L287-R289 PolarHBondContact O-N 3.04Å; R289-I291 PolarHBondContact O-N 3.41Å; R289-R292 PolarHBondContact O-N 2.92Å; R289-E293 PolarHBondContact O-N 3.44Å
290K84.2Confident72.9Confident118 Ų118114 Ų11451%0.51355%0.554SS.*Hα-helixtrans-61.9-39.3177.3-83.9169.6175.6169.20113S286 L287 E293 I294S286-K290 PolarHBondContact O-N 3.31Å; L287-K290 CarbonylContact O-C 3.58Å; L287-K290 PolarHBondContact O-N 3.43Å; L287-K290 VanDerWaalsContact O-N 3.11Å; K290-E293 PolarHBondContact O-N 3.46Å; K290-I294 VanDerWaalsContact O-CG1 3.29Å; K290-I294 WeakPolarHBondContact O-CG1 3.24Å; K290-I294 PolarHBondContact O-N 3.17Å
291I85Confident73.5Confident106 Ų106112.4 Ų112.454%0.54455%0.547SS..Hα-helixtrans-64.8-42.6177.9-68.9164.8000110.7L287 R289 I294 K295L287-I291 VanDerWaalsContact O-CG1 3.27Å; L287-I291 WeakPolarHBondContact O-CG1 3.47Å; L287-I291 PolarHBondContact O-N 3.02Å; R289-I291 PolarHBondContact O-N 3.41Å; I291-I294 PolarHBondContact O-N 3.47Å; I291-K295 WeakPolarHBondContact O-CB 3.46Å; I291-K295 PolarHBondContact O-N 3.2Å
292R83.5Confident73.9Confident144 Ų144114.9 Ų114.954%0.54354%0.543SS..Hα-helixtrans-60-46.2173.7-99.1178.9-101.9157.3-8.2111.8D288 R289 I294 K295 D296D288-R292 PolarHBondContact O-N 3.03Å; R289-R292 PolarHBondContact O-N 2.92Å; R292-I294 PolarHBondContact O-N 3.37Å; R292-K295 WeakPolarHBondContact O-CB 3.43Å; R292-K295 PolarHBondContact O-N 2.79Å; R292-K295 VanDerWaalsContact O-N 3.12Å; R292-D296 PolarHBondContact O-N 2.82Å
293E87.3Confident74.3Confident131 Ų131113.8 Ų113.861%0.61255%0.545SS*.Hα-helixtrans-62.1-40.9-179.8-151.4171.6-152.500112.5R289 K290 D296 R297R289-E293 PolarHBondContact O-N 3.44Å; K290-E293 PolarHBondContact O-N 3.46Å; E293-D296 PolarHBondContact O-N 3.29Å; E293-R297 WeakPolarHBondContact O-CG 3.35Å; E293-R297 PolarHBondContact O-N 3.18Å
294I87.2Confident74.8Confident99 Ų99112.8 Ų112.851%0.50855%0.547SS..Hα-helixtrans-64.4-43.1173.3-67.3165.6000110.9K290 I291 R292 D296 R297 L298K290-I294 VanDerWaalsContact O-CG1 3.29Å; K290-I294 WeakPolarHBondContact O-CG1 3.24Å; K290-I294 PolarHBondContact O-N 3.17Å; I291-I294 PolarHBondContact O-N 3.47Å; R292-I294 PolarHBondContact O-N 3.37Å; I294-D296 VanDerWaalsContact C-N 3.33Å; I294-D296 PolarHBondContact O-N 3.42Å; I294-R297 PolarHBondContact O-N 2.84Å; I294-L298 HydrophobicContact CG2-CD1 4.05Å; I294-L298 WeakPolarHBondContact O-CG 3.34Å; I294-L298 PolarHBondContact O-N 2.98Å
295K86.9Confident74.9Confident131 Ų131120.3 Ų120.357%0.5758%0.575SS**Hα-helixtrans-63.8-38.3179.1-164.2176.8-174.9176.90111.6I291 R292 L298 K299I291-K295 WeakPolarHBondContact O-CB 3.46Å; I291-K295 PolarHBondContact O-N 3.2Å; R292-K295 WeakPolarHBondContact O-CB 3.43Å; R292-K295 PolarHBondContact O-N 2.79Å; R292-K295 VanDerWaalsContact O-N 3.12Å; K295-L298 PolarHBondContact O-N 3.2Å; K295-K299 WeakPolarHBondContact O-CG 3.46Å; K295-K299 PolarHBondContact O-N 3.01Å
296D83.8Confident74.7Confident92 Ų92122.5 Ų122.549%0.49260%0.596SS.*Hα-helixtrans-72.2-38.2177.4-70.8-21.5000112.1R292 E293 I294 L298 K299 S300R292-D296 PolarHBondContact O-N 2.82Å; E293-D296 PolarHBondContact O-N 3.29Å; I294-D296 VanDerWaalsContact C-N 3.33Å; I294-D296 PolarHBondContact O-N 3.42Å; D296-L298 VanDerWaalsContact C-N 3.29Å; D296-L298 PolarHBondContact O-N 3.34Å; D296-K299 PolarHBondContact O-N 3.2Å; D296-K299 IonicContact OD1-NZ 3.87Å; D296-S300 PolarHBondContact O-N 3.26Å; D296-S300 PolarHBondContact O-OG 2.91Å
297R82.3Confident74.2Confident165 Ų165124.6 Ų124.662%0.62361%0.605SS**Hα-helixtrans-61.8-34.3169.6-75.9-178.577.6-158.77.5113E293 I294 S300 K301E293-R297 WeakPolarHBondContact O-CG 3.35Å; E293-R297 PolarHBondContact O-N 3.18Å; I294-R297 PolarHBondContact O-N 2.84Å; R297-S300 PolarHBondContact O-OG 2.89Å; R297-S300 VanDerWaalsContact O-OG 3.07Å; R297-K301 WeakPolarHBondContact O-CG 3.48Å; R297-K301 PolarHBondContact O-N 3.33Å
298L79.6Confident73.5Confident97 Ų97123.7 Ų123.751%0.50861%0.608SS.*Hα-helixtrans-73.8-34.7176-74.6167.1000111.9I294 K295 D296 K302I294-L298 HydrophobicContact CG2-CD1 4.05Å; I294-L298 WeakPolarHBondContact O-CG 3.34Å; I294-L298 PolarHBondContact O-N 2.98Å; K295-L298 PolarHBondContact O-N 3.2Å; D296-L298 VanDerWaalsContact C-N 3.29Å; D296-L298 PolarHBondContact O-N 3.34Å; L298-K302 WeakPolarHBondContact O-CG 3.29Å; L298-K302 PolarHBondContact O-N 3.07Å
299K77.3Confident72.7Confident115 Ų115126.4 Ų126.450%0.563%0.627SS.*Hα-helixtrans-66.4-43.3174.3-77.3175.11781770112.2K295 D296 K301 K302K295-K299 WeakPolarHBondContact O-CG 3.46Å; K295-K299 PolarHBondContact O-N 3.01Å; D296-K299 PolarHBondContact O-N 3.2Å; D296-K299 IonicContact OD1-NZ 3.87Å; K299-K301 VanDerWaalsContact C-N 3.31Å; K299-K301 PolarHBondContact O-N 3.01Å; K299-K302 WeakPolarHBondContact O-CB 3.28Å; K299-K302 PolarHBondContact O-N 2.75Å; K299-K302 VanDerWaalsContact O-N 3.17Å
300S69.6Low71.8Confident72 Ų72120.7 Ų120.750%0.50361%0.613SS.*Hα-helixtrans-65-34.5178.6620000112.6D296 R297 K302 N303D296-S300 PolarHBondContact O-N 3.26Å; D296-S300 PolarHBondContact O-OG 2.91Å; R297-S300 PolarHBondContact O-OG 2.89Å; R297-S300 VanDerWaalsContact O-OG 3.07Å; S300-K302 VanDerWaalsContact C-N 3.34Å; S300-K302 PolarHBondContact O-N 3.28Å; S300-N303 PolarHBondContact O-N 3.37Å
301K67.7Low70.7Confident127 Ų127123.4 Ų123.455%0.55263%0.631SS**Hα-helixtrans-69.6-25174.2-72.2-179.2179.9-170.10114.2R297 K299 N303 L304R297-K301 WeakPolarHBondContact O-CG 3.48Å; R297-K301 PolarHBondContact O-N 3.33Å; K299-K301 VanDerWaalsContact C-N 3.31Å; K299-K301 PolarHBondContact O-N 3.01Å; K301-N303 PolarHBondContact O-N 3.2Å; K301-L304 PolarHBondContact O-N 3.1Å
302K64.1Low69.8Low166 Ų166124.9 Ų124.972%0.72264%0.636SS**Hα-helixtrans-69.5-18.8175.2-71.2171.5-174.6-169.70112.9L298 K299 S300L298-K302 WeakPolarHBondContact O-CG 3.29Å; L298-K302 PolarHBondContact O-N 3.07Å; K299-K302 WeakPolarHBondContact O-CB 3.28Å; K299-K302 PolarHBondContact O-N 2.75Å; K299-K302 VanDerWaalsContact O-N 3.17Å; S300-K302 VanDerWaalsContact C-N 3.34Å; S300-K302 PolarHBondContact O-N 3.28Å
303N59.9Low68.9Low142 Ų142120 Ų12076%0.75963%0.63SS**THydrogen-bonded Turntrans-84.2-7.4175.7-71.1-11.7000113.6S300 K301 K305S300-N303 PolarHBondContact O-N 3.37Å; K301-N303 PolarHBondContact O-N 3.2Å; N303-K305 VanDerWaalsContact C-N 3.29Å; N303-K305 PolarHBondContact O-N 3.42Å
304L59.5Low67.8Low139 Ų139123.2 Ų123.273%0.72864%0.637SS**SBendtrans-80.982.4167.7-69.4166.3000108.5K301 A306K301-L304 PolarHBondContact O-N 3.1Å; L304-A306 PolarHBondContact O-N 3.04Å
305K54.4Low66.6Low194 Ų194128.2 Ų128.284%0.84365%0.649SS**PPolyproline II helixtrans-59119.6171.1-158.6168.3-177.9176.70107.5N303 V307N303-K305 VanDerWaalsContact C-N 3.29Å; N303-K305 PolarHBondContact O-N 3.42Å; K305-V307 PolarHBondContact O-N 3.41Å; K305-V307 VanDerWaalsContact O-N 3.1Å
306A57.8Low65.3Low94 Ų94129.4 Ų129.478%0.77766%0.661SS**PPolyproline II helixtrans-51.9119-177.700000110L304 S308L304-A306 PolarHBondContact O-N 3.04Å; A306-S308 PolarHBondContact O-N 3.03Å
307V60.2Low63.9Low129 Ų129133.3 Ų133.378%0.78268%0.681SS**PPolyproline II helixtrans-61.8120.3170.7177.60000106.7K305 V309K305-V307 PolarHBondContact O-N 3.41Å; K305-V307 VanDerWaalsContact O-N 3.1Å; V307-V309 PolarHBondContact O-N 2.92Å
308S58.2Low62.3Low94 Ų94137.8 Ų137.866%0.65771%0.708SS**  trans-63.6106.317455.70000108.6A306 S310A306-S308 PolarHBondContact O-N 3.03Å; S308-S310 PolarHBondContact O-N 3.5Å
309V59.7Low61.4Low128 Ų128139.8 Ų139.878%0.77672%0.718SS**  trans-65.1117172.6-166.20000107V307 I311V307-V309 PolarHBondContact O-N 2.92Å; V309-I311 PolarHBondContact O-N 3.47Å
310S58.8Low60.6Low52 Ų52141.1 Ų141.136%0.36473%0.73SS.*  trans-71.1110.9179.5-67.90000109.2S308 E312 G313S308-S310 PolarHBondContact O-N 3.5Å; S310-E312 PolarHBondContact O-N 2.78Å; S310-G313 PolarHBondContact O-N 3.49Å
311I61.4Low60.1Low174 Ų174144.9 Ų144.989%0.89274%0.742SS**THydrogen-bonded Turntrans-66.3-19.5177.4-65.3167.9000111.3V309V309-I311 PolarHBondContact O-N 3.47Å
312E66.5Low59.7Low138 Ų138146 Ų14665%0.64575%0.754SS**THydrogen-bonded Turntrans-906.6179.7-65.1-177.7159.500114.7S310 R314S310-E312 PolarHBondContact O-N 2.78Å; E312-R314 HydrophobicContact CB-CG 4.49Å; E312-R314 PolarHBondContact O-N 2.88Å; E312-R314 IonicContact OE2-CZ 3.08Å; E312-R314 IonicContact OE2-NE 3.86Å; E312-R314 IonicContact OE2-NH1 2.75Å; E312-R314 PolarHBondContact OE2-NH1 3.32Å; E312-R314 IonicContact OE2-NH2 3.26Å; E312-R314 PolarHBondContact OE2-NH2 2.85Å
313G63.9Low59.4Low41 Ų41144.8 Ų144.842%0.42376%0.756SS.*  trans71.3-2.5172.600000117.3S310 R315 L316S310-G313 PolarHBondContact O-N 3.49Å; G313-R315 PolarHBondContact O-N 2.87Å; G313-L316 PolarHBondContact O-N 2.99Å
314R65.9Low59.4Low199 Ų199144.9 Ų144.975%0.75176%0.755SS**THydrogen-bonded Turntrans-65.93.4-172.8-65.1-172.8-174.9131.98.7117.5E312E312-R314 HydrophobicContact CB-CG 4.49Å; E312-R314 PolarHBondContact O-N 2.88Å; E312-R314 IonicContact OE2-CZ 3.08Å; E312-R314 IonicContact OE2-NE 3.86Å; E312-R314 IonicContact OE2-NH1 2.75Å; E312-R314 PolarHBondContact OE2-NH1 3.32Å; E312-R314 IonicContact OE2-NH2 3.26Å; E312-R314 PolarHBondContact OE2-NH2 2.85Å
315R60.2Low59.3Low203 Ų203145.4 Ų145.477%0.76676%0.757SS**THydrogen-bonded Turntrans-129.812.5-178.7-63.5-168-165.9-163.12.9114.7G313 L317G313-R315 PolarHBondContact O-N 2.87Å; R315-L317 PolarHBondContact O-N 2.7Å
316L59.6Low59.7Low156 Ų156141.6 Ų141.682%0.81775%0.751SS**SBendtrans-87.5110169.9-64175000107G313G313-L316 PolarHBondContact O-N 2.99Å
317L55.4Low59.9Low175 Ų175145.6 Ų145.692%0.91675%0.749SS**  trans-61.4149.8-180-71.4165.9000110.8R315R315-L317 PolarHBondContact O-N 2.7Å
318H48.8Very low59.9Low258 Ų258147.1 Ų147.1100%1.19475%0.746SS**  trans-59.60-173.7-150.3-59.7000114.9

Retrieved 318 of 318 residues in 187.1 ms (Link to these results)