A0A096MY99_PAPAN Loading...

Transcriptional coactivator YAP1

AlphaFold DB (A0A2K5MF08), UniProt , Accession A0A096MY99, Species PAPAN (Papio anubis, Olive baboon), Gene YAP1, Length 508 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
1M42.2Very low49.9Very low247 Ų247150.1 Ų150.1100%1.21785%0.854SS**  0152.50-81.5169.5166.800107.5
2D43.8Very low49.4Very low157 Ų157145.7 Ų145.784%0.8485%0.849SS**  trans69.3101.3-175.3-140.4-103.3000117.6
3P51.4Low50Low121 Ų121143.3 Ų143.379%0.78684%0.842SS**  trans-107151.4162.136.9-27.5000112
4G46.3Very low49.5Very low77 Ų77147.3 Ų147.379%0.79485%0.848SS**  trans131.934.7149.200000120.9
5Q50Low49Very low204 Ų204142.7 Ų142.795%0.95385%0.845SS**  trans-94.8106.3160.2-78.4-171.436.100111.7
6Q50.2Low48.8Very low188 Ų188146.8 Ų146.888%0.87985%0.853SS**  trans-99.2131.8162.5-73.4-177.3-75.200110
7P60.8Low48.2Very low112 Ų112142.7 Ų142.773%0.72785%0.85SS**  trans-76.5169150.336.3-33000109.2
8P52.6Low48.3Very low118 Ų118145.7 Ų145.777%0.76685%0.854SS**  cis-145.6-135.432.843.1-19000110.9
9P49.2Very low48.4Very low119 Ų119144.2 Ų144.277%0.77385%0.848SS**  cis-126.8-174.9-28.436.1-16.9000114.7
10Q49.7Very low48.7Very low188 Ų188143.7 Ų143.788%0.87985%0.849SS**  trans-94.5176176.6-102-166.720.900113.6
11P52.5Low48.4Very low120 Ų120141.7 Ų141.778%0.77985%0.85SS**  trans-99.2172.5-147.839.8-39.4000117.1
12A44.3Very low48.6Very low97 Ų97139 Ų13980%0.80283%0.834SS**  trans-145.3159.6165.200000111.9
13P57.6Low48.8Very low115 Ų115137.3 Ų137.375%0.74783%0.831SS**  trans-113.1-167.3-160.942.8-34.3000115.5
14Q42.3Very low48.9Very low199 Ų199137.7 Ų137.793%0.9383%0.834SS**  trans101141.1-179-58169.640.600113.3
15G42.8Very low48.9Very low78 Ų78143.5 Ų143.580%0.80484%0.841SS**  cis-164.1-179.80.800000112.4
16Q45.4Very low48.4Very low209 Ų209137.4 Ų137.498%0.97783%0.832SS**  trans-85.5157.2-174.2-59.7168.5-5.800113.4
17G39.3Very low47.9Very low77 Ų77138.1 Ų138.179%0.79484%0.835SS**  trans159.787161.300000119.3
18Q49.6Very low46.8Very low197 Ų197136.1 Ų136.192%0.92184%0.836SS**  trans29.7158.1147-81.9-177.6-21.800125.5
19P50.3Low46.6Very low116 Ų116136.6 Ų136.675%0.75384%0.838SS**  trans-97.8161.3-167.939.5-36.7000115.9
20P54.3Low46.8Very low134 Ų134136.6 Ų136.687%0.8784%0.839SS**  trans-89.7161.7176.235.6-34.7000114.9
21A42.6Very low46.4Very low103 Ų103133.9 Ų133.985%0.85184%0.84SS**  trans-113.6-178.4-164.600000115.9
22Q46.8Very low45.6Very low189 Ų189131.8 Ų131.888%0.88384%0.84SS**  trans-69.8159.6-176.8-60.9172.8-32.800115.4
23P48Very low46.3Very low122 Ų122133.7 Ų133.779%0.79285%0.845SS**  trans-103.7166.1157.236.3-27000113.7
24P53.1Low45.1Very low129 Ų129132 Ų13284%0.83885%0.848SS**  trans-104.9176.1-150.540.2-37.6000117.6
25Q45.2Very low45Very low200 Ų200131.5 Ų131.594%0.93585%0.846SS**  trans-77.6157.5178.6-61.7179.5-5.500114.4
26G40.5Very low45.5Very low75 Ų75133 Ų13377%0.77384%0.842SS**  trans-147.1146.2168.800000112
27Q38.4Very low45.1Very low203 Ų203127.6 Ų127.695%0.94983%0.832SS**  trans-90.4155.2-170.9-61.5168.3500112.6
28G39.3Very low45.4Very low71 Ų71129.7 Ų129.773%0.73283%0.832SS**  trans-97173.3177.600000114.7
29P47.4Very low45.2Very low127 Ų127125.3 Ų125.383%0.82583%0.83SS**  trans-139.3-160.4137.645.8-31.6000111.2
30P53.4Low44.6Very low120 Ų120124.1 Ų124.178%0.77983%0.829SS**  -125.8172.6-110.830.4-6.8000117.7
31S40.5Very low44.4Very low130 Ų130124.8 Ų124.891%0.90983%0.831SS**  trans-9.3137.2166.9-48.10000122.3
32G36.6Very low44.1Very low76 Ų76128.7 Ų128.778%0.78483%0.832SS**  trans-172.4136.516000000113.1
33P58.7Low43.8Very low138 Ų138124.1 Ų124.190%0.89683%0.826SS**  trans-107.4157.5-166.739.4-34.2000115.8
34G33.8Very low43.6Very low79 Ų79122.6 Ų122.681%0.81482%0.824SS**  trans-178.4129.4169.200000114.9
35Q40Very low43.1Very low188 Ų188122.3 Ų122.388%0.87982%0.822SS**  trans-90-170.8174.1-57.5178.9-0.600111.1
36P51.8Low43.3Very low111 Ų111121.9 Ų121.972%0.72182%0.82SS**  -131.7176.3-70.239.3-23.8000114.5
37A38Very low43.7Very low95 Ų95122.7 Ų122.779%0.78582%0.82SS**  trans72.7162.3162.300000118
38P45.4Very low44.3Very low121 Ų121117.6 Ų117.679%0.78680%0.804SS**  cis-125.2167.4-0.440.7-25.9000116.4
39A45.7Very low44.8Very low105 Ų105119 Ų11987%0.86880%0.801SS**  trans14.7109.3157.500000120.4
40A37.3Very low44.9Very low90 Ų90118.3 Ų118.374%0.74481%0.806SS**  trans-122.8121.6149.700000109.3Q42A40-Q42 PolarHBondContact O-N 3.49Å; A40-Q42 VanDerWaalsContact O-N 3.1Å
41T49.4Very low44.8Very low149 Ų149116.2 Ų116.291%0.91481%0.806SS**  trans-56.5108-179.8-57.30000111.6
42Q36.3Very low45.1Very low184 Ų184117 Ų11786%0.8680%0.795SS**PPolyproline II helixtrans-95.8131.1164-70.2-169.917.700109.7A40A40-Q42 PolarHBondContact O-N 3.49Å; A40-Q42 VanDerWaalsContact O-N 3.1Å
43A40.2Very low45.7Very low93 Ų93122 Ų12277%0.76980%0.798SS**PPolyproline II helixtrans-61.3147.8179.800000111.3
44A44.1Very low45.8Very low90 Ų90120.7 Ų120.774%0.74478%0.782SS**PPolyproline II helixtrans-57134.817500000110.6Q46A44-Q46 PolarHBondContact O-N 3.22Å
45P43.4Very low46.9Very low124 Ų124122.3 Ų122.381%0.80578%0.776SS**PPolyproline II helixtrans-64126.9170.927.6-32.5000108.5A47P45-A47 PolarHBondContact O-N 3.14Å
46Q48.8Very low47.6Very low190 Ų190121.1 Ų121.189%0.88877%0.77SS**PPolyproline II helixtrans-58.1131.5176.5-71.9177.7-26.200109.8A44A44-Q46 PolarHBondContact O-N 3.22Å
47A49.6Very low47.9Very low93 Ų93121.6 Ų121.677%0.76977%0.77SS**PPolyproline II helixtrans-62.6127.9172.200000109.3P45P45-A47 PolarHBondContact O-N 3.14Å
48P50.7Low48.8Very low96 Ų96122.5 Ų122.562%0.62375%0.754SS**PPolyproline II helixtrans-69.2149.3177.829-34.2000110.5
49P49.2Very low49.4Very low101 Ų101121.2 Ų121.266%0.65676%0.762SS**PPolyproline II helixtrans-63.2139.5176.726.8-34.2000111.1G51P49-G51 PolarHBondContact O-N 3.21Å
50A51Low49.7Very low112 Ų112119.3 Ų119.393%0.92674%0.737SS**THydrogen-bonded Turntrans-57.4127.4179.800000111.2
51G50.3Low50.6Low76 Ų76117.2 Ų117.278%0.78472%0.717SS**THydrogen-bonded Turntrans143.2-15.2179.300000115.4P49P49-G51 PolarHBondContact O-N 3.21Å
52H47.5Very low51.1Low146 Ų146118.2 Ų118.268%0.67671%0.711SS**  trans-102107.5-176.7-62.287.6000111.9I54H52-I54 PolarHBondContact O-N 3.09Å
53Q49.2Very low52.5Low182 Ų182114.1 Ų114.185%0.8570%0.699SS**  trans-78.795.7172-169.6169.228.100109.7V55Q53-V55 PolarHBondContact O-N 2.72Å; Q53-V55 VanDerWaalsContact O-N 3.1Å
54I61Low53.7Low109 Ų109115.5 Ų115.556%0.55969%0.693SS**  trans-77.497.4177.9-53.1174.8000109.1H52 H56H52-I54 PolarHBondContact O-N 3.09Å; I54-H56 WeakPolarHBondContact CG2-CE1 3.44Å; I54-H56 PolarHBondContact O-N 2.92Å; I54-H56 PolarHBondContact O-ND1 3.34Å
55V55.6Low54.8Low114 Ų114115.7 Ų115.769%0.69168%0.682SS**  trans-72.497173.1-175.80000109Q53 V57Q53-V55 PolarHBondContact O-N 2.72Å; Q53-V55 VanDerWaalsContact O-N 3.1Å; V55-V57 HydrophobicContact CG1-CG2 4.07Å; V55-V57 PolarHBondContact O-N 3.24Å; V55-V57 VanDerWaalsContact O-N 3.07Å
56H54.8Low56Low163 Ų163115.7 Ų115.776%0.75567%0.671SS**  trans-77.787.2169.9-70.991.3000109.5I54 R58I54-H56 WeakPolarHBondContact CG2-CE1 3.44Å; I54-H56 PolarHBondContact O-N 2.92Å; I54-H56 PolarHBondContact O-ND1 3.34Å; H56-R58 PolarHBondContact O-N 3.29Å
57V57.6Low56.9Low120 Ų120108.5 Ų108.573%0.72764%0.644SS**  trans-62.7123.9164.6-177.70000107.6V55V55-V57 HydrophobicContact CG1-CG2 4.07Å; V55-V57 PolarHBondContact O-N 3.24Å; V55-V57 VanDerWaalsContact O-N 3.07Å
58R57.3Low57.9Low115 Ų115109.3 Ų109.343%0.43464%0.635SS.*  trans-87.9135.3-175.9-148.1-177.8133.6144.1-6.1108.4H56 D60 S61H56-R58 PolarHBondContact O-N 3.29Å; R58-D60 VanDerWaalsContact CB-OD1 3.3Å; R58-D60 WeakPolarHBondContact CB-OD1 3.44Å; R58-D60 WeakPolarHBondContact CD-OD1 3.47Å; R58-D60 WeakPolarHBondContact CG-OD1 3.49Å; R58-D60 IonicContact CZ-OD1 2.68Å; R58-D60 IonicContact CZ-OD2 3.76Å; R58-D60 IonicContact NE-OD1 3.45Å; R58-D60 PolarHBondContact NE-OD1 2.86Å; R58-D60 IonicContact NE-OD2 3.71Å; R58-D60 PolarHBondContact NE-OD2 3.09Å; R58-D60 IonicContact NH2-OD2 2.94Å; R58-D60 PolarHBondContact NH2-OD2 2.93Å; R58-D60 PolarHBondContact O-N 2.99Å; R58-S61 VanDerWaalsContact O-CB 3.27Å; R58-S61 WeakPolarHBondContact O-CB 3.44Å; R58-S61 PolarHBondContact O-N 3.2Å; R58-S61 PolarHBondContact O-OG 3.23Å
59G58.5Low58.7Low93 Ų93111.5 Ų111.596%0.95964%0.635SS**THydrogen-bonded Turntrans-65.8-5.6-173.600000115.8
60D51.1Low59.6Low66 Ų66111.1 Ų111.135%0.35363%0.627SS.*THydrogen-bonded Turntrans-103.80.8174.5500.9000113.1R58 E62 T63 D64R58-D60 VanDerWaalsContact CB-OD1 3.3Å; R58-D60 WeakPolarHBondContact CB-OD1 3.44Å; R58-D60 WeakPolarHBondContact CD-OD1 3.47Å; R58-D60 WeakPolarHBondContact CG-OD1 3.49Å; R58-D60 IonicContact CZ-OD1 2.68Å; R58-D60 IonicContact CZ-OD2 3.76Å; R58-D60 IonicContact NE-OD1 3.45Å; R58-D60 PolarHBondContact NE-OD1 2.86Å; R58-D60 IonicContact NE-OD2 3.71Å; R58-D60 PolarHBondContact NE-OD2 3.09Å; R58-D60 IonicContact NH2-OD2 2.94Å; R58-D60 PolarHBondContact NH2-OD2 2.93Å; R58-D60 PolarHBondContact O-N 2.99Å; D60-E62 PolarHBondContact O-N 2.96Å; D60-T63 PolarHBondContact O-N 3.39Å; D60-D64 PolarHBondContact O-N 3.49Å
61S57.3Low60.5Low45 Ų45107.2 Ų107.232%0.31560%0.595SS.*Hα-helixtrans-62.5-35-175.1-67.50000114.3R58 L65R58-S61 VanDerWaalsContact O-CB 3.27Å; R58-S61 WeakPolarHBondContact O-CB 3.44Å; R58-S61 PolarHBondContact O-N 3.2Å; R58-S61 PolarHBondContact O-OG 3.23Å; S61-L65 WeakPolarHBondContact O-CB 3.42Å; S61-L65 VanDerWaalsContact O-CG 3.25Å; S61-L65 WeakPolarHBondContact O-CG 3.33Å; S61-L65 PolarHBondContact O-N 3.13Å; S61-L65 VanDerWaalsContact O-N 3.11Å
62E60.3Low61.5Low171 Ų171108.7 Ų108.780%0.79959%0.588SS**Hα-helixtrans-68.2-42.4177.2-65.1-169.6111.600111.4D60 L65 E66D60-E62 PolarHBondContact O-N 2.96Å; E62-L65 PolarHBondContact O-N 2.75Å; E62-E66 WeakPolarHBondContact O-CB 3.35Å; E62-E66 PolarHBondContact O-N 3.28Å
63T64.1Low62.7Low97 Ų97108.3 Ų108.360%0.59559%0.589SS**Hα-helixtrans-68.2-35.9178.4-45.50000112.6D60 A67D60-T63 PolarHBondContact O-N 3.39Å; T63-A67 VanDerWaalsContact O-CB 3.26Å; T63-A67 WeakPolarHBondContact O-CB 3.13Å; T63-A67 PolarHBondContact O-N 3.27Å
64D66.3Low63.7Low122 Ų122103.9 Ų103.965%0.65257%0.571SS**Hα-helixtrans-68.4-40.3176-164.654000111.5D60 L68D60-D64 PolarHBondContact O-N 3.49Å; D64-L68 WeakPolarHBondContact O-CB 3.4Å; D64-L68 PolarHBondContact O-N 2.75Å
65L67.6Low63.8Low95 Ų95103.4 Ų103.450%0.49758%0.575SS.*Hα-helixtrans-66.6-44.6173.2-71.6171.6000111.9S61 E62 A67 L68 F69S61-L65 WeakPolarHBondContact O-CB 3.42Å; S61-L65 VanDerWaalsContact O-CG 3.25Å; S61-L65 WeakPolarHBondContact O-CG 3.33Å; S61-L65 PolarHBondContact O-N 3.13Å; S61-L65 VanDerWaalsContact O-N 3.11Å; E62-L65 PolarHBondContact O-N 2.75Å; L65-A67 VanDerWaalsContact C-N 3.33Å; L65-A67 PolarHBondContact O-N 2.72Å; L65-L68 WeakPolarHBondContact O-CB 3.3Å; L65-L68 PolarHBondContact O-N 2.92Å; L65-L68 VanDerWaalsContact O-N 3.14Å; L65-F69 WeakPolarHBondContact O-CD2 3.36Å; L65-F69 PolarHBondContact O-N 3.04Å
66E68.4Low64Low123 Ų123108.1 Ų108.158%0.57559%0.586SS**Hα-helixtrans-65.6-35.4178.4-168.4173-152.400112E62 F69 N70E62-E66 WeakPolarHBondContact O-CB 3.35Å; E62-E66 PolarHBondContact O-N 3.28Å; E66-F69 PolarHBondContact O-N 2.86Å; E66-N70 WeakPolarHBondContact O-CB 3.22Å; E66-N70 PolarHBondContact O-N 2.69Å; E66-N70 PolarHBondContact O-ND2 3.29Å
67A66.7Low64.2Low40 Ų40105.8 Ų105.833%0.33158%0.584SS.*Hα-helixtrans-64.9-39.9170.200000112.2T63 L65 N70 A71T63-A67 VanDerWaalsContact O-CB 3.26Å; T63-A67 WeakPolarHBondContact O-CB 3.13Å; T63-A67 PolarHBondContact O-N 3.27Å; L65-A67 VanDerWaalsContact C-N 3.33Å; L65-A67 PolarHBondContact O-N 2.72Å; A67-N70 PolarHBondContact O-N 2.75Å; A67-A71 WeakPolarHBondContact O-CB 3.33Å; A67-A71 PolarHBondContact O-N 3.38Å
68L70.5Confident64.2Low110 Ų110101.8 Ų101.858%0.57656%0.563SS**Hα-helixtrans-65.7-42.6175.3-174.865.2000111.9D64 L65 A71 V72D64-L68 WeakPolarHBondContact O-CB 3.4Å; D64-L68 PolarHBondContact O-N 2.75Å; L65-L68 WeakPolarHBondContact O-CB 3.3Å; L65-L68 PolarHBondContact O-N 2.92Å; L65-L68 VanDerWaalsContact O-N 3.14Å; L68-A71 PolarHBondContact O-N 3.01Å; L68-V72 PolarHBondContact O-N 2.92Å; L68-V72 VanDerWaalsContact O-N 3.13Å
69F69.2Low64.3Low142 Ų142104.1 Ų104.162%0.62358%0.584SS**Hα-helixtrans-62.3-46.4173.7-83.1-68.9000111.7L65 E66 A71 V72 M73L65-F69 WeakPolarHBondContact O-CD2 3.36Å; L65-F69 PolarHBondContact O-N 3.04Å; E66-F69 PolarHBondContact O-N 2.86Å; F69-A71 VanDerWaalsContact C-N 3.31Å; F69-A71 PolarHBondContact O-N 3.04Å; F69-V72 PolarHBondContact O-N 3.48Å; F69-M73 WeakPolarHBondContact O-CG 3.37Å; F69-M73 PolarHBondContact O-N 3.49Å
70N67.6Low64.3Low92 Ų92103.7 Ų103.749%0.49256%0.563SS.*Hα-helixtrans-64.8-32.1176.1-82.6-37.1000112.9E66 A67 N74E66-N70 WeakPolarHBondContact O-CB 3.22Å; E66-N70 PolarHBondContact O-N 2.69Å; E66-N70 PolarHBondContact O-ND2 3.29Å; A67-N70 PolarHBondContact O-N 2.75Å; N70-N74 WeakPolarHBondContact O-CA 3.5Å; N70-N74 WeakPolarHBondContact O-CB 3.31Å; N70-N74 PolarHBondContact O-N 3.11Å
71A70.2Confident64.5Low31 Ų31105.4 Ų105.426%0.25658%0.577SS.*Hα-helixtrans-67.1-35.1174.100000112.8A67 L68 F69 A78A67-A71 WeakPolarHBondContact O-CB 3.33Å; A67-A71 PolarHBondContact O-N 3.38Å; L68-A71 PolarHBondContact O-N 3.01Å; F69-A71 VanDerWaalsContact C-N 3.31Å; F69-A71 PolarHBondContact O-N 3.04Å; A71-A78 HydrophobicContact CB-CB 3.98Å
72V70.9Confident64.6Low106 Ų106112.7 Ų112.764%0.64261%0.606SS**Hα-helixtrans-73.5-44.2175167.80000111.8L68 F69L68-V72 PolarHBondContact O-N 2.92Å; L68-V72 VanDerWaalsContact O-N 3.13Å; F69-V72 PolarHBondContact O-N 3.48Å
73M73.6Confident64.7Low139 Ų139109.1 Ų109.169%0.68560%0.597SS**Hα-helixtrans-77.9-33.9-176.4-62.5-60.9-73.600112.9F69 P75F69-M73 WeakPolarHBondContact O-CG 3.37Å; F69-M73 PolarHBondContact O-N 3.49Å; M73-P75 VanDerWaalsContact C-CD 3.46Å; M73-P75 WeakPolarHBondContact O-CD 3.23Å
74N69.9Low64.9Low89 Ų89108 Ų10848%0.47659%0.589SS.*  trans-128.262.5-173.7-71.464.9000112.3N70 K76 T77N70-N74 WeakPolarHBondContact O-CA 3.5Å; N70-N74 WeakPolarHBondContact O-CB 3.31Å; N70-N74 PolarHBondContact O-N 3.11Å; N74-K76 PolarHBondContact O-N 3.4Å; N74-T77 PolarHBondContact O-N 2.86Å; N74-T77 PolarHBondContact O-OG1 3.33Å
75P62.1Low65.3Low98 Ų98105.9 Ų105.964%0.63658%0.582SS**THydrogen-bonded Turntrans-65.5-10.6-173.427.1-36.8000114.9M73M73-P75 VanDerWaalsContact C-CD 3.46Å; M73-P75 WeakPolarHBondContact O-CD 3.23Å
76K60.4Low65.6Low213 Ų213105 Ų10593%0.92658%0.576SS**THydrogen-bonded Turntrans-87.4-11.4-179.7-68.8173.5179.6171.40114.1N74N74-K76 PolarHBondContact O-N 3.4Å
77T59.4Low65.9Low115 Ų115108.6 Ų108.671%0.70659%0.585SS**THydrogen-bonded Turntrans-119.6-13.6-179.346.80000113.5N74 N79N74-T77 PolarHBondContact O-N 2.86Å; N74-T77 PolarHBondContact O-OG1 3.33Å; T77-N79 PolarHBondContact O-N 2.91Å; T77-N79 VanDerWaalsContact O-N 3.09Å
78A56.4Low66.1Low35 Ų35113 Ų11329%0.28960%0.602SS.*  trans-82.681-177.300000112.4A71 V80A71-A78 HydrophobicContact CB-CB 3.98Å; A78-V80 HydrophobicContact CB-CG2 4.34Å; A78-V80 PolarHBondContact O-N 3.12Å
79N59.7Low66.6Low165 Ų165112.8 Ų112.888%0.88259%0.593SS**  trans-78.564.9163.4-164.7-11.2000110T77T77-N79 PolarHBondContact O-N 2.91Å; T77-N79 VanDerWaalsContact O-N 3.09Å
80V59.1Low66.8Low84 Ų84114.3 Ų114.351%0.50960%0.6SS.*  trans-110.6122178.9-176.80000108A78 Q82A78-V80 HydrophobicContact CB-CG2 4.34Å; A78-V80 PolarHBondContact O-N 3.12Å; V80-Q82 PolarHBondContact O-N 2.91Å; V80-Q82 VanDerWaalsContact O-N 3.12Å
81P56Low67.4Low102 Ų102112.9 Ų112.966%0.66259%0.592SS**  trans-65.3115.4179.425.6-32.8000110.2T83P81-T83 PolarHBondContact O-N 2.92Å
82Q59.1Low67.9Low197 Ų197115.4 Ų115.492%0.92161%0.606SS**SBendtrans-54.7-20.8-170.2-91.1-171.3-28.700115.7V80V80-Q82 PolarHBondContact O-N 2.91Å; V80-Q82 VanDerWaalsContact O-N 3.12Å
83T62.7Low68Low97 Ų97116 Ų11660%0.59561%0.605SS**  trans-142.1129.2169.761.60000111.6P81 P85P81-T83 PolarHBondContact O-N 2.92Å; T83-P85 WeakPolarHBondContact O-CD 3.31Å
84V67.1Low68Low72 Ų72113.7 Ų113.744%0.43660%0.603SS.*  trans-67.5122.8159.51770000107.7M86 L88 R89V84-M86 PolarHBondContact O-N 3.32Å; V84-L88 HydrophobicContact CG1-CB 3.62Å; V84-R89 HydrophobicContact CB-CG 4.35Å; V84-R89 HydrophobicContact CG1-CG 4.1Å; V84-R89 PolarHBondContact O-NE 3.05Å; V84-R89 PolarHBondContact O-NH1 2.78Å; V84-R89 PolarHBondContact O-NH2 3.36Å
85P75.4Confident68.6Low78 Ų78115.2 Ų115.251%0.50661%0.605SS.*  trans-51.5141.3177.5-2934.9000111.8T83 R87 L88 R89T83-P85 WeakPolarHBondContact O-CD 3.31Å; P85-R87 PolarHBondContact O-N 2.88Å; P85-L88 HydrophobicContact CB-CD1 4.45Å; P85-L88 HydrophobicContact CG-CD1 4.21Å; P85-L88 WeakPolarHBondContact O-CA 3.33Å; P85-L88 PolarHBondContact O-N 3.16Å; P85-R89 PolarHBondContact O-N 2.76Å
86M74Confident69.5Low76 Ų76113.3 Ų113.337%0.37459%0.587SS.*G310 helixtrans-50.8-39.2-173.9-70.6-68.1-77.900113.1V84 L88 R89 L91 F95 F96V84-M86 PolarHBondContact O-N 3.32Å; M86-L88 PolarHBondContact O-N 2.84Å; M86-R89 WeakPolarHBondContact O-CB 3.09Å; M86-R89 PolarHBondContact O-N 2.84Å; M86-R89 PolarHBondContact SD-NH1 2.94Å; M86-L91 HydrophobicContact CE-CD1 3.56Å; M86-L91 HydrophobicContact SD-CD1 4.32Å; M86-F95 HydrophobicContact CE-CD1 4.35Å; M86-F95 HydrophobicContact CE-CE1 3.35Å; M86-F95 HydrophobicContact CE-CZ 3.5Å; M86-F95 VanDerWaalsContact CE-CZ 3.5Å; M86-F96 HydrophobicContact CB-CE1 3.75Å; M86-F96 HydrophobicContact CB-CZ 3.94Å; M86-F96 VanDerWaalsContact O-CZ 3.23Å; M86-F96 WeakPolarHBondContact O-CZ 3.39Å
87R73.8Confident70.4Confident200 Ų200109.9 Ų109.976%0.75557%0.572SS**G310 helixtrans-67.1-17.3179.3-55.8178.987.5115.31.2114.7P85 F96P85-R87 PolarHBondContact O-N 2.88Å; R87-F96 HydrophobicContact CB-CZ 4.48Å; R87-F96 HydrophobicContact CG-CD1 3.91Å; R87-F96 HydrophobicContact CG-CE1 3.79Å; R87-F96 HydrophobicContact CG-CG 4.43Å; R87-F96 HydrophobicContact CG-CZ 4.23Å
88L71.1Confident71Confident132 Ų132109.7 Ų109.769%0.69157%0.573SS**G310 helixtrans-98.6-10.1174.8-67.1173.4000112.1V84 P85 M86V84-L88 HydrophobicContact CG1-CB 3.62Å; P85-L88 HydrophobicContact CB-CD1 4.45Å; P85-L88 HydrophobicContact CG-CD1 4.21Å; P85-L88 WeakPolarHBondContact O-CA 3.33Å; P85-L88 PolarHBondContact O-N 3.16Å; M86-L88 PolarHBondContact O-N 2.84Å
89R80.2Confident71.8Confident105 Ų105114 Ų11440%0.39660%0.598SS.*SBendtrans-72.6139.6162.6-58.9179.5165.5136.5-1.8107.2V84 P85 M86 L91V84-R89 HydrophobicContact CB-CG 4.35Å; V84-R89 HydrophobicContact CG1-CG 4.1Å; V84-R89 PolarHBondContact O-NE 3.05Å; V84-R89 PolarHBondContact O-NH1 2.78Å; V84-R89 PolarHBondContact O-NH2 3.36Å; P85-R89 PolarHBondContact O-N 2.76Å; M86-R89 WeakPolarHBondContact O-CB 3.09Å; M86-R89 PolarHBondContact O-N 2.84Å; M86-R89 PolarHBondContact SD-NH1 2.94Å; R89-L91 HydrophobicContact CB-CD1 4.14Å; R89-L91 HydrophobicContact CB-CG 4.05Å; R89-L91 PolarHBondContact O-N 2.92Å
90K74.1Confident72.3Confident174 Ų174113.4 Ų113.476%0.75759%0.59SS**  trans-71.558-179.6-76.8171.947.6-177.90111.8
91L80.4Confident72.1Confident63 Ų63115.5 Ų115.533%0.3361%0.605SS.*  trans-91.9150.7177.5-64.8173.3000109.7M86 R89 F95 F96M86-L91 HydrophobicContact CE-CD1 3.56Å; M86-L91 HydrophobicContact SD-CD1 4.32Å; R89-L91 HydrophobicContact CB-CD1 4.14Å; R89-L91 HydrophobicContact CB-CG 4.05Å; R89-L91 PolarHBondContact O-N 2.92Å; L91-F95 HydrophobicContact CB-CB 4.44Å; L91-F95 HydrophobicContact CD1-CD1 4.05Å; L91-F95 HydrophobicContact CD1-CE1 4.18Å; L91-F95 HydrophobicContact CD1-CG 4.38Å; L91-F96 HydrophobicContact CB-CE2 4Å; L91-F96 HydrophobicContact CB-CZ 4.3Å; L91-F96 HydrophobicContact CD1-CZ 4.05Å
92P80.8Confident71.7Confident84 Ų84118.1 Ų118.155%0.54561%0.606SS.*  trans-61.7146.1177.1-21.533.5000112.1S94 F95P92-S94 PolarHBondContact O-N 3.17Å; P92-F95 VanDerWaalsContact O-CB 3.22Å; P92-F95 WeakPolarHBondContact O-CB 3.37Å; P92-F95 PolarHBondContact O-N 3.4Å
93D72.3Confident71.3Confident118 Ų118114.4 Ų114.463%0.63160%0.602SS**G310 helixtrans-57.8-23.9177.4-74.2-46.4000113.8F95 F96 K97D93-F95 PolarHBondContact O-N 3.48Å; D93-F96 PolarHBondContact O-N 3.41Å; D93-K97 WeakPolarHBondContact O-CG 3.43Å; D93-K97 PolarHBondContact O-N 3.43Å
94S73.3Confident70.4Confident90 Ų90118 Ų11863%0.62961%0.612SS**G310 helixtrans-62.4-24.7173.153.30000113.1P92 F96P92-S94 PolarHBondContact O-N 3.17Å; S94-F96 VanDerWaalsContact C-N 3.29Å; S94-F96 PolarHBondContact O-N 3.29Å
95F82.3Confident69.2Low122 Ų122118.8 Ų118.854%0.53562%0.621SS.*G310 helixtrans-69.7-26.2176.3-167.9-86.3000112.5M86 L91 P92 D93M86-F95 HydrophobicContact CE-CD1 4.35Å; M86-F95 HydrophobicContact CE-CE1 3.35Å; M86-F95 HydrophobicContact CE-CZ 3.5Å; M86-F95 VanDerWaalsContact CE-CZ 3.5Å; L91-F95 HydrophobicContact CB-CB 4.44Å; L91-F95 HydrophobicContact CD1-CD1 4.05Å; L91-F95 HydrophobicContact CD1-CE1 4.18Å; L91-F95 HydrophobicContact CD1-CG 4.38Å; P92-F95 VanDerWaalsContact O-CB 3.22Å; P92-F95 WeakPolarHBondContact O-CB 3.37Å; P92-F95 PolarHBondContact O-N 3.4Å; D93-F95 PolarHBondContact O-N 3.48Å
96F82.9Confident67.7Low58 Ų58126.6 Ų126.625%0.25464%0.64SS.*SBendtrans-102.7-1.7179.7-59-67.4000113.9M86 R87 L91 D93 S94M86-F96 HydrophobicContact CB-CE1 3.75Å; M86-F96 HydrophobicContact CB-CZ 3.94Å; M86-F96 VanDerWaalsContact O-CZ 3.23Å; M86-F96 WeakPolarHBondContact O-CZ 3.39Å; R87-F96 HydrophobicContact CB-CZ 4.48Å; R87-F96 HydrophobicContact CG-CD1 3.91Å; R87-F96 HydrophobicContact CG-CE1 3.79Å; R87-F96 HydrophobicContact CG-CG 4.43Å; R87-F96 HydrophobicContact CG-CZ 4.23Å; L91-F96 HydrophobicContact CB-CE2 4Å; L91-F96 HydrophobicContact CB-CZ 4.3Å; L91-F96 HydrophobicContact CD1-CZ 4.05Å; D93-F96 PolarHBondContact O-N 3.41Å; S94-F96 VanDerWaalsContact C-N 3.29Å; S94-F96 PolarHBondContact O-N 3.29Å
97K79Confident66.2Low141 Ų141131.2 Ų131.261%0.61366%0.66SS**SBendtrans-97.8117.7176-73.8170.6-179.8175.70108.3D93D93-K97 WeakPolarHBondContact O-CG 3.43Å; D93-K97 PolarHBondContact O-N 3.43Å
98P71.8Confident64.7Low111 Ų111125.9 Ų125.972%0.72166%0.659SS**PPolyproline II helixtrans-59.4144.6170.926.8-33.4000109E100P98-E100 PolarHBondContact O-N 3.31Å
99P71.9Confident63.6Low126 Ų126125.4 Ų125.482%0.81867%0.667SS**PPolyproline II helixtrans-58.8131.7177.325-33.4000109.4
100E70.8Confident61.8Low151 Ų151126.8 Ų126.871%0.70669%0.687SS**PPolyproline II helixtrans-55.5137.3176.6-64171.6145.200109.4P98 K102P98-E100 PolarHBondContact O-N 3.31Å; E100-K102 PolarHBondContact O-N 3.23Å
101P56.1Low60.3Low129 Ų129126.1 Ų126.184%0.83869%0.692SS**  trans-70.578.7176.829.9-34.9000109.8S103P101-S103 PolarHBondContact O-N 3.33Å
102K47.5Very low58.3Low156 Ų156127.1 Ų127.168%0.67871%0.71SS**  trans-67.4106.4170.6-94.6173.3176.6159.60108.4E100 H104E100-K102 PolarHBondContact O-N 3.23Å; K102-H104 PolarHBondContact O-CD2 2.97Å; K102-H104 VanDerWaalsContact O-CD2 3.31Å; K102-H104 PolarHBondContact O-N 3.44Å
103S49Very low56.2Low119 Ų119126.9 Ų126.983%0.83272%0.722SS**  trans-51.396.9168.6-62.20000110.4P101 S105P101-S103 PolarHBondContact O-N 3.33Å; S103-S105 PolarHBondContact O-N 2.88Å
104H44.8Very low54.8Low174 Ų174128.3 Ų128.381%0.80674%0.735SS**  trans-71.599.8169.1-78.7-74.1000108.4K102 R106K102-H104 PolarHBondContact O-CD2 2.97Å; K102-H104 VanDerWaalsContact O-CD2 3.31Å; K102-H104 PolarHBondContact O-N 3.44Å; H104-R106 PolarHBondContact O-N 2.9Å
105S41.3Very low53.2Low88 Ų88128.7 Ų128.762%0.61574%0.744SS**  trans-45.1102.8-178.8-1730000112.8S103 Q107S103-S105 PolarHBondContact O-N 2.88Å; S105-Q107 PolarHBondContact O-N 3.05Å; S105-Q107 WeakPolarHBondContact OG-CG 3.39Å
106R43.6Very low51Low242 Ų242126.9 Ų126.991%0.91376%0.76SS**  trans-84.670.1157.2-78.8-174.6169-117.12.4108.8H104 A108H104-R106 PolarHBondContact O-N 2.9Å; R106-A108 PolarHBondContact O-N 3.15Å
107Q44.2Very low48.9Very low172 Ų172128.5 Ų128.580%0.80478%0.784SS**  trans-77.579.7163.9-84.4-179.8-4.300109.3S105S105-Q107 PolarHBondContact O-N 3.05Å; S105-Q107 WeakPolarHBondContact OG-CG 3.39Å
108A40.4Very low47.1Very low88 Ų88129.2 Ų129.273%0.72779%0.793SS**  trans-83.8116.615500000107.1R106 T110R106-A108 PolarHBondContact O-N 3.15Å; A108-T110 PolarHBondContact O-N 3.39Å; A108-T110 VanDerWaalsContact O-N 3.17Å
109S49.3Very low46Very low123 Ų123129.6 Ų129.686%0.8679%0.794SS**  trans-73.8104.4178.2-58.70000110.6
110T42.3Very low44.5Very low133 Ų133130 Ų13082%0.81680%0.797SS**  trans-130.8119.2152.747.60000108.5A108A108-T110 PolarHBondContact O-N 3.39Å; A108-T110 VanDerWaalsContact O-N 3.17Å
111D43.1Very low42.8Very low160 Ų160131.4 Ų131.486%0.85680%0.803SS**  trans-62.8171.7171176.352.3000111.9
112A37.4Very low41.9Very low85 Ų85134 Ų13470%0.70280%0.804SS**  trans81.1110.4171.500000118.1
113G37.7Very low41.5Very low78 Ų78132.7 Ų132.780%0.80481%0.808SS**  93.792.9108.300000117.9A115G113-A115 PolarHBondContact O-N 3.28Å
114T42.7Very low41.3Very low149 Ų149136.9 Ų136.991%0.91481%0.806SS**  trans-44.8121.7158.6-52.70000113.4
115A38.6Very low40.9Very low97 Ų97132.5 Ų132.580%0.80280%0.8SS**  159.2156.3128.400000113.1G113G113-A115 PolarHBondContact O-N 3.28Å
116G35.8Very low40.8Very low85 Ų85135.7 Ų135.788%0.87681%0.805SS**  trans106.8132.7155.600000115.5
117A40.5Very low40.4Very low92 Ų92130.2 Ų130.276%0.7680%0.804SS**  trans-108.6175.5177.700000111.6
118L39.7Very low40.1Very low155 Ų155127.7 Ų127.781%0.81281%0.805SS**  trans94.7107.8160.7-48.7-178.5000118.7
119T49.3Very low40.4Very low119 Ų119129 Ų12973%0.7381%0.806SS**  trans47.9121.6137.2620000121.6
120P41.1Very low39.8Very low136 Ų136128.2 Ų128.288%0.88381%0.807SS**  trans-88.6122.9155.5-4.824.3000111.9
121Q33.8Very low39.7Very low180 Ų180127 Ų12784%0.84180%0.804SS**  trans-75.5144.7163.7-72.7-176.2-43.600110.8V123Q121-V123 PolarHBondContact O-N 3.34Å
122H37.4Very low39.7Very low183 Ų183127.5 Ų127.585%0.84781%0.806SS**  trans-91.697.7178.5-160.9-73.4000111.4R124H122-R124 PolarHBondContact O-N 3.13Å
123V39.5Very low39.9Very low128 Ų128132.2 Ų132.278%0.77681%0.813SS**  trans-76.7116.4173178.30000109.6Q121Q121-V123 PolarHBondContact O-N 3.34Å
124R45.7Very low39.9Very low208 Ų208136.7 Ų136.779%0.78582%0.818SS**  trans-87.4120.6176.9168.5-176.1-73.2-172.6-4.2109.9H122H122-R124 PolarHBondContact O-N 3.13Å
125A34.7Very low39.5Very low81 Ų81133 Ų13367%0.66981%0.808SS**  trans-150.495.7158.200000111.6
126H39.9Very low39.4Very low156 Ų156133.4 Ų133.472%0.72281%0.812SS**  80.388.197.4-48.2-37.1000115.7
127S35.5Very low39.4Very low127 Ų127135.8 Ų135.889%0.88881%0.809SS**  trans-154124.9143.4-77.10000106.7
128S38.2Very low39.2Very low118 Ų118137.1 Ų137.183%0.82581%0.813SS**PPolyproline II helixtrans-88.9147-149.8-58.50000115.7
129P46.1Very low39.5Very low117 Ų117136 Ų13676%0.7682%0.815SS**PPolyproline II helixtrans-76.7150.5162.733.9-33.8000111.1
130A36.1Very low38.6Very low105 Ų105133.6 Ų133.687%0.86881%0.814SS**PPolyproline II helixtrans-71.8133.817300000111.2
131S41.8Very low38.3Very low108 Ų108133.3 Ų133.376%0.75581%0.81SS**PPolyproline II helixtrans-70.1126-169.3-55.20000114.2
132L41.5Very low38.2Very low171 Ų171132.5 Ų132.590%0.89581%0.81SS**  trans-89.3106.5149.2-75.6173.4000108.4L134L132-L134 PolarHBondContact O-N 2.7Å; L132-L134 VanDerWaalsContact O-N 3.11Å
133Q41.7Very low38Very low184 Ų184129.9 Ų129.986%0.8681%0.807SS**  trans-75.792.9171.5-73.2-179.4-29.100109.8
134L38Very low38.5Very low172 Ų172128.7 Ų128.790%0.90180%0.802SS**  trans-93.898.3157.1-12473000107.9L132 A136L132-L134 PolarHBondContact O-N 2.7Å; L132-L134 VanDerWaalsContact O-N 3.11Å; L134-A136 PolarHBondContact O-N 3.21Å
135G34.8Very low37.8Very low70 Ų70125.6 Ų125.672%0.72281%0.806SS**  trans-69.9114.7178.200000111
136A36.2Very low37.6Very low106 Ų106125.6 Ų125.688%0.87681%0.814SS**  trans-69.9128.1164.500000109.2L134L134-A136 PolarHBondContact O-N 3.21Å
137V36.8Very low37.4Very low136 Ų136124.8 Ų124.882%0.82482%0.82SS**  trans-118.7129.8169.7-66.30000110.4
138S35.3Very low37.3Very low120 Ų120124.8 Ų124.884%0.83982%0.815SS**  trans-167.4143.8167-760000107.6
139P45.9Very low37Very low132 Ų132124.3 Ų124.386%0.85781%0.811SS**  cis-123.4164.9-3837.3-25.3000111.7
140G31.4Very low36.3Very low67 Ų67122.1 Ų122.169%0.69181%0.81SS**  trans115.3136.2149.700000119.3
141T32.9Very low37.1Very low131 Ų131123.5 Ų123.580%0.80481%0.81SS**  trans76.1110.4147.324.40000121.8
142L32.1Very low36.5Very low163 Ų163123.5 Ų123.585%0.85382%0.816SS**  trans86.4141.1142.7-50.3-177.9000121.4
143T34.6Very low36.1Very low128 Ų128119.7 Ų119.779%0.78581%0.81SS**  trans-87.4-175.3179.748.90000112.3
144P49.7Very low35.7Very low102 Ų102117 Ų11766%0.66281%0.806SS**  cis-132.1-167.5-35.431.1-10.4000113.2
145T30.1Very low35.7Very low143 Ų143114.9 Ų114.988%0.87780%0.803SS**  trans69.6138155.636.40000120.9
146G31.9Very low35.6Very low81 Ų81117.7 Ų117.784%0.83581%0.806SS**  trans158.2108.7163.100000116.2
147V33.7Very low35.8Very low139 Ų139117.4 Ų117.484%0.84280%0.803SS**  trans-71163.3-177.3-70.10000117.2
148V33.8Very low35.7Very low128 Ų128119.5 Ų119.578%0.77680%0.804SS**  trans113.1137.3130.5102.30000121.5
149S32.5Very low35.8Very low108 Ų108121.3 Ų121.376%0.75580%0.799SS**  trans71.9123.3155.3-620000122.8
150G31.1Very low35.6Very low70 Ų70122 Ų12272%0.72280%0.795SS**  trans-93.2-149150.800000111.1
151P52.2Low36Very low134 Ų134129.2 Ų129.287%0.8780%0.801SS**  cis-130.7165-6.641.3-26.5000114.6
152A29.8Very low36.1Very low108 Ų108131.5 Ų131.589%0.89380%0.802SS**  trans-165.5153.315600000111.6
153A33.1Very low36.4Very low92 Ų92127.6 Ų127.676%0.7679%0.789SS**  trans-95.9150.3-170.300000114.8
154T34.2Very low36.6Very low128 Ų128126.4 Ų126.479%0.78579%0.786SS**  trans-176.6144.5131.126.30000110.2T156T154-T156 PolarHBondContact O-N 3.33Å
155P37.5Very low36.7Very low127 Ų127129 Ų12983%0.82579%0.787SS**  trans-78.4109.8-179.830.8-32.6000110.5A157P155-A157 PolarHBondContact O-N 3.06Å; P155-A157 VanDerWaalsContact O-N 3.09Å
156T33.6Very low37.8Very low129 Ų129129.9 Ų129.979%0.79178%0.781SS**  trans-70.2104.2166.333.40000109.1T154 Q158T154-T156 PolarHBondContact O-N 3.33Å; T156-Q158 PolarHBondContact O-N 3.14Å
157A38.6Very low39.3Very low99 Ų99126.7 Ų126.782%0.81875%0.745SS**  trans-59.1100.2169.200000109.1P155 H159P155-A157 PolarHBondContact O-N 3.06Å; P155-A157 VanDerWaalsContact O-N 3.09Å; A157-H159 PolarHBondContact O-N 3.32Å
158Q36.3Very low40.7Very low181 Ų181124.1 Ų124.185%0.84673%0.731SS**  trans-67.2107.2169-70.1-151-14.900107.8T156 L160T156-Q158 PolarHBondContact O-N 3.14Å; Q158-L160 PolarHBondContact O-N 2.86Å
159H37.1Very low42Very low158 Ų158122.5 Ų122.573%0.73172%0.718SS**  trans-6493.2164.9177.5-97.3000107.5A157 R161A157-H159 PolarHBondContact O-N 3.32Å; H159-R161 VanDerWaalsContact C-N 3.3Å; H159-R161 PolarHBondContact O-N 3.02Å
160L41.4Very low43.4Very low146 Ų146124.6 Ų124.676%0.76472%0.721SS**  trans-54.196.1171.6-178.465.4000107.2Q158 Q162Q158-L160 PolarHBondContact O-N 2.86Å; L160-Q162 PolarHBondContact O-N 2.8Å
161R39.3Very low45.4Very low218 Ų218124.2 Ų124.282%0.82370%0.704SS**  trans-55.8118.3171.2-84.9-173.3118.5-175.70.9105.6H159 S163H159-R161 VanDerWaalsContact C-N 3.3Å; H159-R161 PolarHBondContact O-N 3.02Å; R161-S163 PolarHBondContact O-N 2.84Å
162Q36.5Very low46.7Very low179 Ų179123 Ų12384%0.83670%0.696SS**  trans-49.1106.2177.6-66.3164.29.600107.8L160 S164L160-Q162 PolarHBondContact O-N 2.8Å; Q162-S164 PolarHBondContact O-N 3.03Å; Q162-S164 VanDerWaalsContact O-N 3.14Å
163S37.5Very low49.3Very low82 Ų82120.4 Ų120.457%0.57367%0.667SS**  trans-57.7119.1165.729.70000105.7R161 F165R161-S163 PolarHBondContact O-N 2.84Å; S163-F165 PolarHBondContact O-N 2.88Å
164S39.2Very low51.8Low102 Ų102117.8 Ų117.871%0.71364%0.642SS**  trans-51.9120.2166.2-174.10000106.5Q162 E166Q162-S164 PolarHBondContact O-N 3.03Å; Q162-S164 VanDerWaalsContact O-N 3.14Å; S164-E166 PolarHBondContact O-N 2.74Å
165F50.3Low53.9Low158 Ų158115.9 Ų115.969%0.69364%0.64SS**  trans-70.977.7177.1-88.1-96.7000108.6S163 K204S163-F165 PolarHBondContact O-N 2.88Å; F165-K204 WeakPolarHBondContact O-CE 3.03Å
166E53.3Low56Low161 Ų161111.4 Ų111.475%0.75262%0.616SS**  trans-84.4105.6165.7-168.1168.3167.100106.6S164 P168S164-E166 PolarHBondContact O-N 2.74Å; E166-P168 WeakPolarHBondContact O-CD 3.33Å
167I63.8Low58.5Low13 Ų13108.4 Ų108.47%0.06759%0.59CS.*  trans-67.9126.8175.7-68.277.8000106D169 V171 R203 K204 L207I167-D169 PolarHBondContact O-N 2.88Å; I167-V171 HydrophobicContact CG2-CB 3.91Å; I167-V171 HydrophobicContact CG2-CG2 3.94Å; I167-R203 HydrophobicContact CG1-CB 4.25Å; I167-R203 HydrophobicContact CG2-CB 4.34Å; I167-K204 HydrophobicContact CD1-CB 4.44Å; I167-K204 HydrophobicContact CD1-CD 4.11Å; I167-K204 HydrophobicContact CD1-CG 3.29Å; I167-L207 HydrophobicContact CG1-CD1 4.49Å; I167-L207 HydrophobicContact CG1-CD2 4.13Å
168P63.9Low60.8Low85 Ų85108 Ų10855%0.55257%0.572SS**  trans-50.8134.4173.4-27.135.3000110.6E166 D170 V171 R203E166-P168 WeakPolarHBondContact O-CD 3.33Å; P168-D170 HydrophobicContact CB-CB 4.33Å; P168-D170 PolarHBondContact O-N 3.46Å; P168-V171 PolarHBondContact O-N 3.38Å; P168-V171 VanDerWaalsContact O-N 3.09Å; P168-R203 PolarHBondContact O-NH1 3.09Å
169D61.2Low63.2Low94 Ų94102.1 Ų102.150%0.50355%0.545SS..THydrogen-bonded Turntrans-60.7-8.1176.7-89.3-36.8000113I167 R187I167-D169 PolarHBondContact O-N 2.88Å; D169-R187 VanDerWaalsContact CG-NH1 3.28Å; D169-R187 IonicContact OD1-CZ 3.28Å; D169-R187 IonicContact OD1-NH1 2.71Å; D169-R187 PolarHBondContact OD1-NH1 2.93Å; D169-R187 IonicContact OD1-NH2 3.04Å; D169-R187 IonicContact OD2-CZ 3.39Å; D169-R187 IonicContact OD2-NH1 3.78Å; D169-R187 PolarHBondContact OD2-NH1 2.83Å; D169-R187 IonicContact OD2-NH2 3.95Å; D169-R187 PolarHBondContact OD2-NH2 3.16Å
170D61.4Low65.4Low153 Ų15395.5 Ų95.582%0.81852%0.517SS*.THydrogen-bonded Turntrans-75.2-17.6174.8-158.641.5000114.6P168 P172P168-D170 HydrophobicContact CB-CB 4.33Å; P168-D170 PolarHBondContact O-N 3.46Å; D170-P172 WeakPolarHBondContact O-CD 3.19Å
171V74.1Confident67.3Low62 Ų6294.7 Ų94.738%0.37651%0.508SS..SBendtrans-81.7117.5175.4-178.90000109.6I167 P168 R203I167-V171 HydrophobicContact CG2-CB 3.91Å; I167-V171 HydrophobicContact CG2-CG2 3.94Å; P168-V171 PolarHBondContact O-N 3.38Å; P168-V171 VanDerWaalsContact O-N 3.09Å; V171-R203 WeakPolarHBondContact O-CD 3.26Å; V171-R203 PolarHBondContact O-NH1 3.14Å
172P79.3Confident69.3Low108 Ų10886.1 Ų86.170%0.70148%0.48SS*.PPolyproline II helixtrans-61146-179.925.2-33.9000111.7D170D170-P172 WeakPolarHBondContact O-CD 3.19Å
173L84.2Confident71Confident54 Ų5484.3 Ų84.328%0.28349%0.487SS..PPolyproline II helixtrans-63.8148.9172-74.6135.2000110.2W177 M179 F189 P202L173-W177 HydrophobicContact CB-CB 4.18Å; L173-W177 HydrophobicContact CD2-CB 4.29Å; L173-M179 HydrophobicContact CD1-CB 3.78Å; L173-M179 HydrophobicContact CD2-CB 4.48Å; L173-F189 HydrophobicContact CD2-CD1 3.6Å; L173-F189 HydrophobicContact CD2-CE1 3.86Å; L173-P202 HydrophobicContact CD2-CG 4.17Å
174P84.5Confident73Confident36 Ų3684.4 Ų84.423%0.23449%0.488CS..PPolyproline II helixtrans-57.5155175.5-23.234.4000111.9G176 W177 P202P174-G176 PolarHBondContact O-N 3.01Å; P174-W177 HydrophobicContact CB-CG 4.33Å; P174-W177 WeakPolarHBondContact O-CB 3.42Å; P174-W177 PolarHBondContact O-N 3.24Å; P174-P202 HydrophobicContact CG-CB 4.11Å; P174-P202 HydrophobicContact CG-CG 4.07Å
175A79.4Confident75Confident89 Ų8981.8 Ų81.874%0.73648%0.477SS*.THydrogen-bonded Turntrans-53.6131.5179.800000111.2W177 I193A175-W177 VanDerWaalsContact C-N 3.31Å; A175-W177 PolarHBondContact O-N 3.46Å; A175-I193 VanDerWaalsContact O-CD1 3.3Å; A175-I193 WeakPolarHBondContact O-CD1 3.44Å
176G80.4Confident76.1Confident32 Ų3279.2 Ų79.233%0.3347%0.467SS..THydrogen-bonded Turntrans81.8-3.8-175.800000115.5P174 H192P174-G176 PolarHBondContact O-N 3.01Å; G176-H192 WeakPolarHBondContact O-CB 3.29Å; G176-H192 PolarHBondContact O-CD2 3.28Å; G176-H192 PolarHBondContact O-N 3.07Å
177W86.4Confident77.6Confident66 Ų6676.4 Ų76.425%0.2545%0.449CS..EExtended strand (participates in β ladder)trans-98.2134.6176.3-69.572.8000112.3L173 P174 A175 F189 L190 N191 T198 P202L173-W177 HydrophobicContact CB-CB 4.18Å; L173-W177 HydrophobicContact CD2-CB 4.29Å; P174-W177 HydrophobicContact CB-CG 4.33Å; P174-W177 WeakPolarHBondContact O-CB 3.42Å; P174-W177 PolarHBondContact O-N 3.24Å; A175-W177 VanDerWaalsContact C-N 3.31Å; A175-W177 PolarHBondContact O-N 3.46Å; W177-F189 HydrophobicContact CE3-CB 4.08Å; W177-F189 HydrophobicContact CZ3-CB 4.19Å; W177-L190 CarbonylContact C-O 3.54Å; W177-L190 VanDerWaalsContact CA-O 3.31Å; W177-L190 WeakPolarHBondContact CA-O 3.31Å; W177-N191 HydrophobicContact CD2-CB 3.91Å; W177-N191 HydrophobicContact CE3-CB 4.06Å; W177-N191 HydrophobicContact CH2-CB 4.05Å; W177-N191 HydrophobicContact CZ2-CB 3.85Å; W177-N191 HydrophobicContact CZ3-CB 4.14Å; W177-T198 HydrophobicContact CH2-CG2 4.05Å; W177-T198 HydrophobicContact CZ3-CG2 3.58Å; W177-P202 HydrophobicContact CB-CG 4.28Å; W177-P202 HydrophobicContact CD2-CB 3.76Å; W177-P202 HydrophobicContact CD2-CG 3.6Å; W177-P202 HydrophobicContact CE3-CB 3.77Å; W177-P202 HydrophobicContact CE3-CG 3.45Å; W177-P202 VanDerWaalsContact CE3-CG 3.45Å; W177-P202 HydrophobicContact CG-CB 4.39Å; W177-P202 HydrophobicContact CG-CG 3.99Å; W177-P202 HydrophobicContact CH2-CB 4Å; W177-P202 HydrophobicContact CZ2-CB 4.02Å; W177-P202 HydrophobicContact CZ3-CB 3.87Å; W177-P202 HydrophobicContact CZ3-CG 3.95Å
178E87.8Confident78.4Confident90 Ų9078.8 Ų78.842%0.42146%0.458SS..EExtended strand (participates in β ladder)trans-120.6142.1176.1-179.3178.8160.200110.2F189 L190 H192E178-F189 CarbonylContact O-C 3.57Å; E178-F189 VanDerWaalsContact O-CA 3.23Å; E178-F189 WeakPolarHBondContact O-CA 3.39Å; E178-L190 HydrophobicContact CB-CB 4.49Å; E178-L190 HydrophobicContact CB-CD1 4.43Å; E178-L190 HydrophobicContact CG-CD1 4.46Å; E178-L190 PolarHBondContact N-O 3.46Å; E178-L190 PolarHBondContact O-N 3.36Å; E178-H192 IonicContact OE2-CD2 3.84Å; E178-H192 IonicContact OE2-CE1 3.4Å; E178-H192 PolarHBondContact OE2-CE1 3.5Å; E178-H192 IonicContact OE2-NE2 2.75Å; E178-H192 PolarHBondContact OE2-NE2 3.26Å
179M87.2Confident79.6Confident59 Ų5975.2 Ų75.229%0.29143%0.434SS..EExtended strand (participates in β ladder)trans-100.8118.2168.2177.9-171.461.100109.6L173 R187 F189L173-M179 HydrophobicContact CD1-CB 3.78Å; L173-M179 HydrophobicContact CD2-CB 4.48Å; M179-R187 HydrophobicContact CG-CB 4.48Å; M179-R187 HydrophobicContact SD-CB 4.43Å; M179-R187 HydrophobicContact SD-CG 4.17Å; M179-R187 PolarHBondContact SD-NH1 2.82Å; M179-F189 HydrophobicContact CB-CD1 3.89Å; M179-F189 HydrophobicContact CB-CE1 3.83Å; M179-F189 HydrophobicContact CG-CD1 4.16Å; M179-F189 HydrophobicContact CG-CE1 3.78Å; M179-F189 HydrophobicContact CG-CZ 4.39Å; M179-F189 HydrophobicContact SD-CE1 4.23Å
180A82.1Confident80.6Confident18 Ų1872.4 Ų72.415%0.14942%0.419CS..EExtended strand (participates in β ladder)trans-112.3175.2172.300000111.4R187 Y188 L190A180-R187 WeakPolarHBondContact O-CA 3.15Å; A180-Y188 HydrophobicContact CB-CD1 4.13Å; A180-Y188 HydrophobicContact CB-CD2 4.5Å; A180-Y188 HydrophobicContact CB-CE1 3.54Å; A180-Y188 HydrophobicContact CB-CE2 3.97Å; A180-Y188 VanDerWaalsContact CB-CZ 3.45Å; A180-Y188 PolarHBondContact N-O 3.41Å; A180-Y188 PolarHBondContact O-N 3.36Å; A180-Y188 VanDerWaalsContact O-O 3.09Å; A180-L190 HydrophobicContact CB-CD1 3.43Å; A180-L190 VanDerWaalsContact CB-CD1 3.43Å
181K82.6Confident81.7Confident129 Ų12965.7 Ų65.756%0.56138%0.382SS*.EExtended strand (participates in β ladder)trans-129.9138.6177-64.7175.5-174.8172.40109.7Q186 R187K181-Q186 CarbonylContact C-O 3.5Å; K181-Q186 VanDerWaalsContact CA-O 3.31Å; K181-Q186 WeakPolarHBondContact CA-O 3.23Å; K181-R187 HydrophobicContact CG-CG 4.33Å
182T80.9Confident81.7Confident39 Ų3966.7 Ų66.724%0.23938%0.383CS..  trans-71.1170.3170.660.10000111.2S184 G185 Q186 Y188 W199T182-S184 PolarHBondContact O-N 3.37Å; T182-S184 VanDerWaalsContact O-N 3.16Å; T182-S184 PolarHBondContact OG1-N 2.9Å; T182-S184 PolarHBondContact OG1-OG 2.98Å; T182-G185 WeakPolarHBondContact O-CA 3.45Å; T182-G185 PolarHBondContact O-N 3.26Å; T182-Q186 PolarHBondContact N-O 3.08Å; T182-Q186 PolarHBondContact OG1-N 2.63Å; T182-Q186 PolarHBondContact OG1-O 2.84Å; T182-Y188 HydrophobicContact CG2-CD1 3.83Å; T182-Y188 HydrophobicContact CG2-CE1 4.02Å; T182-W199 HydrophobicContact CG2-CH2 3.57Å; T182-W199 HydrophobicContact CG2-CZ3 3.91Å
183S72.1Confident81.5Confident140 Ų14067.6 Ų67.698%0.97938%0.381SS*.THydrogen-bonded Turntrans-60.2-19170.5520000113.9
184S79.3Confident81.3Confident85 Ų8569.1 Ų69.159%0.59439%0.389SS*.THydrogen-bonded Turntrans-88.63.5171.157.20000113.9T182 Q186T182-S184 PolarHBondContact O-N 3.37Å; T182-S184 VanDerWaalsContact O-N 3.16Å; T182-S184 PolarHBondContact OG1-N 2.9Å; T182-S184 PolarHBondContact OG1-OG 2.98Å; S184-Q186 VanDerWaalsContact C-N 3.28Å; S184-Q186 PolarHBondContact O-N 2.82Å
185G79.9Confident80.9Confident47 Ų4774.4 Ų74.449%0.48541%0.411SS..  trans78.62.1179.600000115.1T182 R187T182-G185 WeakPolarHBondContact O-CA 3.45Å; T182-G185 PolarHBondContact O-N 3.26Å; G185-R187 PolarHBondContact O-N 3.41Å
186Q73.9Confident80.6Confident103 Ų10372.6 Ų72.648%0.48139%0.39SS..  trans-70.3129.6176.6-65.7177.5-21.700109.9K181 T182 S184 W199K181-Q186 CarbonylContact C-O 3.5Å; K181-Q186 VanDerWaalsContact CA-O 3.31Å; K181-Q186 WeakPolarHBondContact CA-O 3.23Å; T182-Q186 PolarHBondContact N-O 3.08Å; T182-Q186 PolarHBondContact OG1-N 2.63Å; T182-Q186 PolarHBondContact OG1-O 2.84Å; S184-Q186 VanDerWaalsContact C-N 3.28Å; S184-Q186 PolarHBondContact O-N 2.82Å; Q186-W199 HydrophobicContact CB-CZ3 3.72Å
187R84.6Confident80.7Confident102 Ų10274.7 Ų74.739%0.38540%0.397SS..EExtended strand (participates in β ladder)trans-74133177.1-61.8176.7-178.6-141.913.9109.6D169 M179 A180 K181 G185D169-R187 VanDerWaalsContact CG-NH1 3.28Å; D169-R187 IonicContact OD1-CZ 3.28Å; D169-R187 IonicContact OD1-NH1 2.71Å; D169-R187 PolarHBondContact OD1-NH1 2.93Å; D169-R187 IonicContact OD1-NH2 3.04Å; D169-R187 IonicContact OD2-CZ 3.39Å; D169-R187 IonicContact OD2-NH1 3.78Å; D169-R187 PolarHBondContact OD2-NH1 2.83Å; D169-R187 IonicContact OD2-NH2 3.95Å; D169-R187 PolarHBondContact OD2-NH2 3.16Å; M179-R187 HydrophobicContact CG-CB 4.48Å; M179-R187 HydrophobicContact SD-CB 4.43Å; M179-R187 HydrophobicContact SD-CG 4.17Å; M179-R187 PolarHBondContact SD-NH1 2.82Å; A180-R187 WeakPolarHBondContact O-CA 3.15Å; K181-R187 HydrophobicContact CG-CG 4.33Å; G185-R187 PolarHBondContact O-N 3.41Å
188Y81.4Confident80.4Confident63 Ų6373.3 Ų73.325%0.24740%0.396CS..EExtended strand (participates in β ladder)trans-134.7160.7169.371.1-80.3000109.4A180 T182 L190 T197A180-Y188 HydrophobicContact CB-CD1 4.13Å; A180-Y188 HydrophobicContact CB-CD2 4.5Å; A180-Y188 HydrophobicContact CB-CE1 3.54Å; A180-Y188 HydrophobicContact CB-CE2 3.97Å; A180-Y188 VanDerWaalsContact CB-CZ 3.45Å; A180-Y188 PolarHBondContact N-O 3.41Å; A180-Y188 PolarHBondContact O-N 3.36Å; A180-Y188 VanDerWaalsContact O-O 3.09Å; T182-Y188 HydrophobicContact CG2-CD1 3.83Å; T182-Y188 HydrophobicContact CG2-CE1 4.02Å; Y188-L190 HydrophobicContact CD2-CD1 3.98Å; Y188-L190 HydrophobicContact CD2-CG 4.21Å; Y188-L190 HydrophobicContact CE2-CD1 3.52Å; Y188-L190 HydrophobicContact CE2-CD2 4.15Å; Y188-L190 HydrophobicContact CE2-CG 3.75Å; Y188-T197 HydrophobicContact CE2-CG2 4.49Å
189F89Confident80.4Confident10 Ų1074.4 Ų74.44%0.04440%0.396CS..EExtended strand (participates in β ladder)trans-118.7130.4-174.4-55.6-86.7000109.4L173 W177 E178 M179 T197 T198 D201L173-F189 HydrophobicContact CD2-CD1 3.6Å; L173-F189 HydrophobicContact CD2-CE1 3.86Å; W177-F189 HydrophobicContact CE3-CB 4.08Å; W177-F189 HydrophobicContact CZ3-CB 4.19Å; E178-F189 CarbonylContact O-C 3.57Å; E178-F189 VanDerWaalsContact O-CA 3.23Å; E178-F189 WeakPolarHBondContact O-CA 3.39Å; M179-F189 HydrophobicContact CB-CD1 3.89Å; M179-F189 HydrophobicContact CB-CE1 3.83Å; M179-F189 HydrophobicContact CG-CD1 4.16Å; M179-F189 HydrophobicContact CG-CE1 3.78Å; M179-F189 HydrophobicContact CG-CZ 4.39Å; M179-F189 HydrophobicContact SD-CE1 4.23Å; F189-T197 CarbonylContact O-C 3.6Å; F189-T197 WeakPolarHBondContact O-CA 3.23Å; F189-T198 HydrophobicContact CB-CG2 4.21Å; F189-T198 PolarHBondContact N-O 3.03Å; F189-T198 PolarHBondContact O-N 3.27Å; F189-D201 HydrophobicContact CD2-CB 4.32Å; F189-D201 HydrophobicContact CE1-CB 4.13Å; F189-D201 VanDerWaalsContact CE2-CA 3.42Å; F189-D201 HydrophobicContact CE2-CB 3.61Å; F189-D201 HydrophobicContact CZ-CB 3.49Å; F189-D201 VanDerWaalsContact CZ-CB 3.49Å
190L82.8Confident80.2Confident36 Ų3676.9 Ų76.919%0.18841%0.407CS..EExtended strand (participates in β ladder)trans-103.7139.3173.7-54.389.5000108.2W177 E178 A180 Y188 T196 T197W177-L190 CarbonylContact C-O 3.54Å; W177-L190 VanDerWaalsContact CA-O 3.31Å; W177-L190 WeakPolarHBondContact CA-O 3.31Å; E178-L190 HydrophobicContact CB-CB 4.49Å; E178-L190 HydrophobicContact CB-CD1 4.43Å; E178-L190 HydrophobicContact CG-CD1 4.46Å; E178-L190 PolarHBondContact N-O 3.46Å; E178-L190 PolarHBondContact O-N 3.36Å; A180-L190 HydrophobicContact CB-CD1 3.43Å; A180-L190 VanDerWaalsContact CB-CD1 3.43Å; Y188-L190 HydrophobicContact CD2-CD1 3.98Å; Y188-L190 HydrophobicContact CD2-CG 4.21Å; Y188-L190 HydrophobicContact CE2-CD1 3.52Å; Y188-L190 HydrophobicContact CE2-CD2 4.15Å; Y188-L190 HydrophobicContact CE2-CG 3.75Å; L190-T196 WeakPolarHBondContact CA-O 3.33Å; L190-T197 HydrophobicContact CB-CG2 4.44Å; L190-T197 HydrophobicContact CD2-CG2 4.1Å; L190-T197 HydrophobicContact CG-CG2 3.94Å
191N83.9Confident80.3Confident11 Ų1176.5 Ų76.56%0.05940%0.403CS..EExtended strand (participates in β ladder)trans-109.1108.4168.9179.79.7000108.7W177 I193 D194 Q195 T196W177-N191 HydrophobicContact CD2-CB 3.91Å; W177-N191 HydrophobicContact CE3-CB 4.06Å; W177-N191 HydrophobicContact CH2-CB 4.05Å; W177-N191 HydrophobicContact CZ2-CB 3.85Å; W177-N191 HydrophobicContact CZ3-CB 4.14Å; N191-I193 PolarHBondContact O-N 2.83Å; N191-I193 WeakPolarHBondContact OD1-CB 3.36Å; N191-I193 PolarHBondContact OD1-N 3.02Å; N191-D194 VanDerWaalsContact CB-OD1 3.23Å; N191-D194 WeakPolarHBondContact CB-OD1 3.47Å; N191-D194 VanDerWaalsContact CG-OD1 3.23Å; N191-D194 PolarHBondContact ND2-OD1 3.33Å; N191-D194 VanDerWaalsContact ND2-OD1 3.08Å; N191-D194 PolarHBondContact ND2-OD2 3.39Å; N191-Q195 WeakPolarHBondContact O-CA 3.48Å; N191-Q195 PolarHBondContact O-N 3.25Å; N191-T196 PolarHBondContact N-O 3.45Å; N191-T196 PolarHBondContact O-N 3.11Å
192H73.7Confident80.2Confident84 Ų8471.2 Ų71.239%0.38938%0.382SS..THydrogen-bonded Turntrans-71.5-13.5179.9-68.1-79.9000113.4G176 E178 Q195G176-H192 WeakPolarHBondContact O-CB 3.29Å; G176-H192 PolarHBondContact O-CD2 3.28Å; G176-H192 PolarHBondContact O-N 3.07Å; E178-H192 IonicContact OE2-CD2 3.84Å; E178-H192 IonicContact OE2-CE1 3.4Å; E178-H192 PolarHBondContact OE2-CE1 3.5Å; E178-H192 IonicContact OE2-NE2 2.75Å; E178-H192 PolarHBondContact OE2-NE2 3.26Å; H192-Q195 PolarHBondContact O-NE2 3.28Å
193I76.2Confident80.2Confident127 Ų12770 Ų7065%0.65137%0.372SS*.THydrogen-bonded Turntrans-76.6-41.8179.5-59.5167000111A175 N191A175-I193 VanDerWaalsContact O-CD1 3.3Å; A175-I193 WeakPolarHBondContact O-CD1 3.44Å; N191-I193 PolarHBondContact O-N 2.83Å; N191-I193 WeakPolarHBondContact OD1-CB 3.36Å; N191-I193 PolarHBondContact OD1-N 3.02Å
194D79.2Confident80.4Confident86 Ų8667 Ų6746%0.4634%0.342SS..THydrogen-bonded Turntrans-110.5-0.917961.118.6000113.4N191 T196N191-D194 VanDerWaalsContact CB-OD1 3.23Å; N191-D194 WeakPolarHBondContact CB-OD1 3.47Å; N191-D194 VanDerWaalsContact CG-OD1 3.23Å; N191-D194 PolarHBondContact ND2-OD1 3.33Å; N191-D194 VanDerWaalsContact ND2-OD1 3.08Å; N191-D194 PolarHBondContact ND2-OD2 3.39Å; D194-T196 HydrophobicContact CB-CG2 4.19Å; D194-T196 VanDerWaalsContact CG-OG1 3.29Å; D194-T196 PolarHBondContact O-N 3.13Å; D194-T196 VanDerWaalsContact OD1-CB 3.29Å; D194-T196 WeakPolarHBondContact OD1-CB 3.25Å; D194-T196 VanDerWaalsContact OD1-CG2 3.31Å; D194-T196 WeakPolarHBondContact OD1-CG2 3.44Å; D194-T196 PolarHBondContact OD1-N 2.79Å; D194-T196 PolarHBondContact OD1-OG1 2.89Å; D194-T196 PolarHBondContact OD2-OG1 3.44Å
195Q76.8Confident80.1Confident147 Ų14766.1 Ų66.169%0.68734%0.34SS*.THydrogen-bonded Turntrans58.132.2-177-60.7-68-29.600113.4N191 H192N191-Q195 WeakPolarHBondContact O-CA 3.48Å; N191-Q195 PolarHBondContact O-N 3.25Å; H192-Q195 PolarHBondContact O-NE2 3.28Å
196T72.8Confident79.5Confident50 Ų5069.5 Ų69.531%0.30734%0.344SS..EExtended strand (participates in β ladder)trans-95.3163.5176.466.40000112.8L190 N191 D194L190-T196 WeakPolarHBondContact CA-O 3.33Å; N191-T196 PolarHBondContact N-O 3.45Å; N191-T196 PolarHBondContact O-N 3.11Å; D194-T196 HydrophobicContact CB-CG2 4.19Å; D194-T196 VanDerWaalsContact CG-OG1 3.29Å; D194-T196 PolarHBondContact O-N 3.13Å; D194-T196 VanDerWaalsContact OD1-CB 3.29Å; D194-T196 WeakPolarHBondContact OD1-CB 3.25Å; D194-T196 VanDerWaalsContact OD1-CG2 3.31Å; D194-T196 WeakPolarHBondContact OD1-CG2 3.44Å; D194-T196 PolarHBondContact OD1-N 2.79Å; D194-T196 PolarHBondContact OD1-OG1 2.89Å; D194-T196 PolarHBondContact OD2-OG1 3.44Å
197T81.4Confident79.1Confident76 Ų7668.3 Ų68.347%0.46634%0.341SS..EExtended strand (participates in β ladder)trans-128.9143.6170.168.40000110.7Y188 F189 L190Y188-T197 HydrophobicContact CE2-CG2 4.49Å; F189-T197 CarbonylContact O-C 3.6Å; F189-T197 WeakPolarHBondContact O-CA 3.23Å; L190-T197 HydrophobicContact CB-CG2 4.44Å; L190-T197 HydrophobicContact CD2-CG2 4.1Å; L190-T197 HydrophobicContact CG-CG2 3.94Å
198T81.5Confident78Confident38 Ų3867.9 Ų67.923%0.23335%0.354CS..EExtended strand (participates in β ladder)trans-147.5153.4-179.3178.20000110.6W177 F189 Q200W177-T198 HydrophobicContact CH2-CG2 4.05Å; W177-T198 HydrophobicContact CZ3-CG2 3.58Å; F189-T198 HydrophobicContact CB-CG2 4.21Å; F189-T198 PolarHBondContact N-O 3.03Å; F189-T198 PolarHBondContact O-N 3.27Å; T198-Q200 WeakPolarHBondContact CG2-O 3.41Å; T198-Q200 PolarHBondContact OG1-N 3.31Å; T198-Q200 VanDerWaalsContact OG1-N 3.16Å
199W87.1Confident76.8Confident113 Ų11372.3 Ų72.343%0.42838%0.377SS..SBendtrans-89.8-9.6173.7-51.486.5000112.5T182 Q186 M240T182-W199 HydrophobicContact CG2-CH2 3.57Å; T182-W199 HydrophobicContact CG2-CZ3 3.91Å; Q186-W199 HydrophobicContact CB-CZ3 3.72Å; W199-M240 HydrophobicContact CB-CE 3.5Å; W199-M240 VanDerWaalsContact CD1-CE 3.46Å; W199-M240 HydrophobicContact CG-CE 3.81Å
200Q82.8Confident75.1Confident110 Ų11079.6 Ų79.651%0.51441%0.413SS..SBendtrans-89.2124.2179.6-158.4682800110.3T198T198-Q200 WeakPolarHBondContact CG2-O 3.41Å; T198-Q200 PolarHBondContact OG1-N 3.31Å; T198-Q200 VanDerWaalsContact OG1-N 3.16Å
201D84.2Confident73.4Confident11 Ų1184.3 Ų84.36%0.05944%0.438CS..  trans-62.9122.8176.8-169.9-35000110.6F189 R203 K204F189-D201 HydrophobicContact CD2-CB 4.32Å; F189-D201 HydrophobicContact CE1-CB 4.13Å; F189-D201 VanDerWaalsContact CE2-CA 3.42Å; F189-D201 HydrophobicContact CE2-CB 3.61Å; F189-D201 HydrophobicContact CZ-CB 3.49Å; F189-D201 VanDerWaalsContact CZ-CB 3.49Å; D201-R203 PolarHBondContact O-N 3.46Å; D201-R203 VanDerWaalsContact O-N 3.15Å; D201-R203 WeakPolarHBondContact OD1-CB 3.5Å; D201-R203 WeakPolarHBondContact OD1-CG 3.28Å; D201-R203 PolarHBondContact OD1-N 3.17Å; D201-R203 IonicContact OD1-NE 3.92Å; D201-R203 PolarHBondContact OD1-NE 3.29Å; D201-R203 IonicContact OD2-CZ 3.36Å; D201-R203 VanDerWaalsContact OD2-CZ 3.27Å; D201-R203 IonicContact OD2-NE 2.72Å; D201-R203 PolarHBondContact OD2-NE 3.38Å; D201-R203 IonicContact OD2-NH2 2.75Å; D201-R203 PolarHBondContact OD2-NH2 2.95Å; D201-K204 HydrophobicContact CB-CD 4.09Å; D201-K204 HydrophobicContact CB-CG 4.11Å; D201-K204 WeakPolarHBondContact O-CB 3.3Å; D201-K204 PolarHBondContact O-N 2.99Å
202P80.8Confident71.5Confident18 Ų1889.5 Ų89.512%0.11747%0.47CS..Hα-helixtrans-60.2-26.9-18029.1-39.9000112.4L173 P174 W177 K204 A205 M206L173-P202 HydrophobicContact CD2-CG 4.17Å; P174-P202 HydrophobicContact CG-CB 4.11Å; P174-P202 HydrophobicContact CG-CG 4.07Å; W177-P202 HydrophobicContact CB-CG 4.28Å; W177-P202 HydrophobicContact CD2-CB 3.76Å; W177-P202 HydrophobicContact CD2-CG 3.6Å; W177-P202 HydrophobicContact CE3-CB 3.77Å; W177-P202 HydrophobicContact CE3-CG 3.45Å; W177-P202 VanDerWaalsContact CE3-CG 3.45Å; W177-P202 HydrophobicContact CG-CB 4.39Å; W177-P202 HydrophobicContact CG-CG 3.99Å; W177-P202 HydrophobicContact CH2-CB 4Å; W177-P202 HydrophobicContact CZ2-CB 4.02Å; W177-P202 HydrophobicContact CZ3-CB 3.87Å; W177-P202 HydrophobicContact CZ3-CG 3.95Å; P202-K204 PolarHBondContact O-N 3.11Å; P202-A205 PolarHBondContact O-N 3.37Å; P202-M206 PolarHBondContact O-N 2.72Å
203R80.1Confident70Confident13 Ų1392 Ų925%0.04949%0.492CS..Hα-helixtrans-62.3-32.8175.8-55.8174.4-65.61706.3110.8I167 P168 V171 D201 A205 M206 L207I167-R203 HydrophobicContact CG1-CB 4.25Å; I167-R203 HydrophobicContact CG2-CB 4.34Å; P168-R203 PolarHBondContact O-NH1 3.09Å; V171-R203 WeakPolarHBondContact O-CD 3.26Å; V171-R203 PolarHBondContact O-NH1 3.14Å; D201-R203 PolarHBondContact O-N 3.46Å; D201-R203 VanDerWaalsContact O-N 3.15Å; D201-R203 WeakPolarHBondContact OD1-CB 3.5Å; D201-R203 WeakPolarHBondContact OD1-CG 3.28Å; D201-R203 PolarHBondContact OD1-N 3.17Å; D201-R203 IonicContact OD1-NE 3.92Å; D201-R203 PolarHBondContact OD1-NE 3.29Å; D201-R203 IonicContact OD2-CZ 3.36Å; D201-R203 VanDerWaalsContact OD2-CZ 3.27Å; D201-R203 IonicContact OD2-NE 2.72Å; D201-R203 PolarHBondContact OD2-NE 3.38Å; D201-R203 IonicContact OD2-NH2 2.75Å; D201-R203 PolarHBondContact OD2-NH2 2.95Å; R203-A205 PolarHBondContact O-N 2.84Å; R203-M206 PolarHBondContact O-N 2.78Å; R203-L207 HydrophobicContact CB-CD1 4.33Å; R203-L207 WeakPolarHBondContact O-CD1 3.34Å; R203-L207 PolarHBondContact O-N 3.35Å
204K77.6Confident68Low76 Ų7690 Ų9033%0.3349%0.494SS..Hα-helixtrans-62-41176.6-73.3176179-170.90112.4F165 I167 D201 P202 S208F165-K204 WeakPolarHBondContact O-CE 3.03Å; I167-K204 HydrophobicContact CD1-CB 4.44Å; I167-K204 HydrophobicContact CD1-CD 4.11Å; I167-K204 HydrophobicContact CD1-CG 3.29Å; D201-K204 HydrophobicContact CB-CD 4.09Å; D201-K204 HydrophobicContact CB-CG 4.11Å; D201-K204 WeakPolarHBondContact O-CB 3.3Å; D201-K204 PolarHBondContact O-N 2.99Å; P202-K204 PolarHBondContact O-N 3.11Å; K204-S208 WeakPolarHBondContact O-CB 3.27Å; K204-S208 PolarHBondContact O-N 2.74Å; K204-S208 VanDerWaalsContact O-N 3.13Å; K204-S208 PolarHBondContact O-OG 2.98Å
205A72.6Confident66.4Low68 Ų6892.3 Ų92.356%0.56251%0.513SS*.Hα-helixtrans-66.3-43.2177.400000111.4P202 R203 Q209P202-A205 PolarHBondContact O-N 3.37Å; R203-A205 PolarHBondContact O-N 2.84Å; A205-Q209 PolarHBondContact O-N 3.46Å
206M67.2Low64.6Low117 Ų11791 Ų9158%0.57652%0.516SS*.Hα-helixtrans-63.8-48.9176.3-107.8-176.9158.300113P202 R203 S208 Q209P202-M206 PolarHBondContact O-N 2.72Å; R203-M206 PolarHBondContact O-N 2.78Å; M206-S208 VanDerWaalsContact C-N 3.28Å; M206-S208 PolarHBondContact O-N 2.86Å; M206-Q209 WeakPolarHBondContact O-CB 3.1Å; M206-Q209 PolarHBondContact O-N 3.2Å
207L66.6Low62.8Low78 Ų7893.9 Ų93.941%0.40854%0.538SS..Hα-helixtrans-62.5-35.8179.6-89.779.2000112.1I167 R203 Q209 M210I167-L207 HydrophobicContact CG1-CD1 4.49Å; I167-L207 HydrophobicContact CG1-CD2 4.13Å; R203-L207 HydrophobicContact CB-CD1 4.33Å; R203-L207 WeakPolarHBondContact O-CD1 3.34Å; R203-L207 PolarHBondContact O-N 3.35Å; L207-Q209 PolarHBondContact O-N 2.73Å; L207-M210 PolarHBondContact O-N 3.22Å
208S60.5Low61Low94 Ų9495.7 Ų95.766%0.65755%0.551SS**Hα-helixtrans-64.2-25.4176.3-58.10000112.8K204 M206K204-S208 WeakPolarHBondContact O-CB 3.27Å; K204-S208 PolarHBondContact O-N 2.74Å; K204-S208 VanDerWaalsContact O-N 3.13Å; K204-S208 PolarHBondContact O-OG 2.98Å; M206-S208 VanDerWaalsContact C-N 3.28Å; M206-S208 PolarHBondContact O-N 2.86Å
209Q56.3Low59.2Low156 Ų156100.1 Ų100.173%0.72958%0.581SS**Hα-helixtrans-84.3-18.8-177.9-156.8169.19300113.2A205 M206 L207A205-Q209 PolarHBondContact O-N 3.46Å; M206-Q209 WeakPolarHBondContact O-CB 3.1Å; M206-Q209 PolarHBondContact O-N 3.2Å; L207-Q209 PolarHBondContact O-N 2.73Å
210M52.8Low57Low162 Ų162100.4 Ų100.480%0.79859%0.594SS**SBendtrans-88.7-7-179.6-75.2-176.4172.800115L207 V212L207-M210 PolarHBondContact O-N 3.22Å; M210-V212 VanDerWaalsContact C-N 3.29Å; M210-V212 PolarHBondContact O-N 2.69Å
211N48.3Very low55.1Low136 Ų136102.9 Ų102.973%0.72761%0.606SS**  trans-88.633.4-175.4-164.162.5000114.5T213N211-T213 PolarHBondContact O-N 3.4Å
212V42.3Very low53.1Low120 Ų120111.3 Ų111.373%0.72765%0.645SS**  trans-95.562-172.7-700000114.1M210M210-V212 VanDerWaalsContact C-N 3.29Å; M210-V212 PolarHBondContact O-N 2.69Å
213T43.6Very low51.1Low137 Ų137116.5 Ų116.584%0.8467%0.672SS**  trans-138.467.7169.931.40000113.4N211N211-T213 PolarHBondContact O-N 3.4Å
214A34.2Very low49.1Very low84 Ų84124 Ų12469%0.69471%0.709SS**  trans-162.9117.5155.700000111.3T216A214-T216 PolarHBondContact O-N 3.08Å
215P44.9Very low47.5Very low134 Ų134126.5 Ų126.587%0.8772%0.724SS**  trans-9671.1-177.637.1-34.2000112.9
216T38.4Very low46.1Very low120 Ų120128.7 Ų128.774%0.73673%0.726SS**  trans-145.7129.6167.351.60000113.2A214A214-T216 PolarHBondContact O-N 3.08Å
217S36.2Very low45.5Very low110 Ų110126.4 Ų126.477%0.76972%0.721SS**  trans81.5134.9171.6-51.20000117.4
218P44Very low44.5Very low115 Ų115124.2 Ų124.275%0.74772%0.715SS**  trans-81.9125.917931.7-33.1000112.3
219P43.8Very low44.1Very low131 Ų131125.7 Ų125.785%0.85173%0.725SS**  trans-75.9132.5170.929.8-32.6000111.3
220V40.3Very low44.1Very low118 Ų118120 Ų12072%0.71571%0.708SS**  trans-89.4113.8-174.7-162.70000110.8Q222V220-Q222 PolarHBondContact O-N 2.89Å
221Q41.9Very low44.9Very low162 Ų162118.2 Ų118.276%0.75771%0.709SS**SBendtrans47.552.9147-56.4179.4-45.500119.5
222Q41.8Very low46.4Very low189 Ų189113.8 Ų113.888%0.88369%0.685SS**SBendtrans-118.3-7.6160.8-79.7-171.7-25.500115.3V220V220-Q222 PolarHBondContact O-N 2.89Å
223N40.6Very low48.2Very low127 Ų127110.7 Ų110.768%0.67967%0.667SS**SBendtrans-92.46.3-176.9-142.669.2000114.8M225 N226N223-M225 VanDerWaalsContact C-N 3.33Å; N223-M225 PolarHBondContact O-N 2.83Å; N223-N226 PolarHBondContact O-N 3.06Å
224M36.8Very low49.7Very low169 Ų169110.7 Ų110.783%0.83366%0.662SS**THydrogen-bonded Turntrans-76.1-14.9-171.7-12583.8169.900114.7
225M45.2Very low51.9Low130 Ų130108.2 Ų108.264%0.6465%0.645SS**THydrogen-bonded Turntrans-100.3-0.9178.7-129.771170.500112.8N223 S227N223-M225 VanDerWaalsContact C-N 3.33Å; N223-M225 PolarHBondContact O-N 2.83Å; M225-S227 VanDerWaalsContact C-N 3.34Å; M225-S227 PolarHBondContact O-N 3.32Å
226N43Very low53.8Low113 Ų113105 Ų10560%0.60462%0.615SS**SBendtrans-81.481.1-172.5-167.679.8000111.3N223N223-N226 PolarHBondContact O-N 3.06Å
227S54.2Low56Low69 Ų69102.1 Ų102.148%0.48359%0.593SS.*  trans63.1114.4171-54.30000114.8M225 S229M225-S227 VanDerWaalsContact C-N 3.34Å; M225-S227 PolarHBondContact O-N 3.32Å; S227-S229 PolarHBondContact O-N 3.23Å
228A44.6Very low58.3Low33 Ų33100.1 Ų100.127%0.27357%0.572SS.*  trans-70.669.6166.100000111.4G230 R262 L263A228-G230 VanDerWaalsContact C-N 3.33Å; A228-G230 PolarHBondContact O-N 3.49Å; A228-R262 HydrophobicContact CB-CB 3.96Å; A228-R262 WeakPolarHBondContact O-CD 3.19Å; A228-L263 HydrophobicContact CB-CD2 4.31Å
229S52.4Low60.1Low125 Ų12595.4 Ų95.487%0.87454%0.543SS*.SBendtrans34.343.8157.167.90000118.8S227S227-S229 PolarHBondContact O-N 3.23Å
230G55.8Low61.8Low36 Ų3692 Ų9237%0.37152%0.516SS..SBendtrans-179.5163.3174.400000112.7A228 R262A228-G230 VanDerWaalsContact C-N 3.33Å; A228-G230 PolarHBondContact O-N 3.49Å; G230-R262 PolarHBondContact O-NH1 2.84Å
231P69.7Low63.6Low124 Ų12488 Ų8881%0.80549%0.492SS*.PPolyproline II helixtrans-56148.1171.226.5-34.5000110.1
232L79.9Confident64.7Low44 Ų4489.4 Ų89.423%0.2350%0.499CS..PPolyproline II helixtrans-63.2145172.3-90.173.6000109.3W236 E237 Q238 Y248L232-W236 HydrophobicContact CB-CB 4.19Å; L232-W236 WeakPolarHBondContact CB-O 3.37Å; L232-W236 HydrophobicContact CD2-CB 4.04Å; L232-W236 WeakPolarHBondContact CD2-O 3.47Å; L232-E237 VanDerWaalsContact CD2-C 3.49Å; L232-Q238 HydrophobicContact CD1-CB 4.48Å; L232-Q238 HydrophobicContact CD2-CB 3.88Å; L232-Y248 HydrophobicContact CD2-CD1 4.02Å; L232-Y248 HydrophobicContact CD2-CE1 4.38Å
233P80.4Confident65.6Low54 Ų5487.1 Ų87.135%0.35149%0.492SS..PPolyproline II helixtrans-59.7148.9177.1-20.932.4000111.4G235 W236 P261 R262P233-G235 PolarHBondContact O-N 2.9Å; P233-W236 WeakPolarHBondContact O-CB 3.3Å; P233-W236 PolarHBondContact O-N 2.82Å; P233-P261 HydrophobicContact CG-CB 4.31Å; P233-P261 HydrophobicContact CG-CG 4.33Å; P233-R262 HydrophobicContact CG-CG 4.49Å
234D75.9Confident67.1Low138 Ų13883.2 Ų83.274%0.73848%0.482SS*.THydrogen-bonded Turntrans-47.7125.1-173.6-70.7-46.8000113.6K252D234-K252 WeakPolarHBondContact O-CD 3.2Å
235G79.9Confident68.8Low32 Ų3280.4 Ų80.433%0.3347%0.467SS..THydrogen-bonded Turntrans76.616.9-178.600000114.7P233 N250 H251P233-G235 PolarHBondContact O-N 2.9Å; G235-N250 CarbonylContact O-C 3.59Å; G235-N250 WeakPolarHBondContact O-CA 3.48Å; G235-H251 WeakPolarHBondContact O-CB 3.44Å; G235-H251 PolarHBondContact O-N 3.35Å
236W84.5Confident70.5Confident66 Ų6677.4 Ų77.425%0.2545%0.453CS..EExtended strand (participates in β ladder)trans-103.8133.8162.5-69.483.5000111L232 P233 I249 N250 P261L232-W236 HydrophobicContact CB-CB 4.19Å; L232-W236 WeakPolarHBondContact CB-O 3.37Å; L232-W236 HydrophobicContact CD2-CB 4.04Å; L232-W236 WeakPolarHBondContact CD2-O 3.47Å; P233-W236 WeakPolarHBondContact O-CB 3.3Å; P233-W236 PolarHBondContact O-N 2.82Å; W236-I249 CarbonylContact C-O 3.53Å; W236-I249 VanDerWaalsContact CA-O 3.31Å; W236-I249 WeakPolarHBondContact CA-O 3.41Å; W236-N250 HydrophobicContact CD2-CB 3.83Å; W236-N250 HydrophobicContact CE3-CB 3.79Å; W236-N250 HydrophobicContact CH2-CB 3.96Å; W236-N250 HydrophobicContact CZ2-CB 3.99Å; W236-N250 WeakPolarHBondContact CZ2-ND2 3.49Å; W236-N250 HydrophobicContact CZ3-CB 3.86Å; W236-N250 PolarHBondContact NE1-ND2 3.19Å; W236-P261 HydrophobicContact CB-CG 4.09Å; W236-P261 HydrophobicContact CD2-CB 3.64Å; W236-P261 HydrophobicContact CD2-CG 3.56Å; W236-P261 HydrophobicContact CE3-CB 3.93Å; W236-P261 HydrophobicContact CE3-CG 3.68Å; W236-P261 HydrophobicContact CG-CB 4.13Å; W236-P261 HydrophobicContact CG-CG 3.78Å; W236-P261 HydrophobicContact CH2-CB 4.05Å; W236-P261 HydrophobicContact CZ2-CB 3.78Å; W236-P261 HydrophobicContact CZ3-CB 4.12Å; W236-P261 HydrophobicContact CZ3-CG 4.24Å
237E85.3Confident72.3Confident60 Ų6075.1 Ų75.128%0.2844%0.436SS..EExtended strand (participates in β ladder)trans-114.9143.5173.6176.2-172.7158.200109.1L232 Y248 I249 H251L232-E237 VanDerWaalsContact CD2-C 3.49Å; E237-Y248 CarbonylContact O-C 3.53Å; E237-Y248 VanDerWaalsContact O-CA 3.31Å; E237-Y248 WeakPolarHBondContact O-CA 3.45Å; E237-I249 HydrophobicContact CB-CB 4.3Å; E237-I249 PolarHBondContact N-O 3.27Å; E237-I249 PolarHBondContact O-N 2.99Å; E237-H251 IonicContact OE2-CD2 3.04Å; E237-H251 IonicContact OE2-CE1 3.04Å; E237-H251 PolarHBondContact OE2-CE1 3.5Å; E237-H251 IonicContact OE2-NE2 3.01Å; E237-H251 PolarHBondContact OE2-NE2 3.4Å
238Q84.7Confident73.8Confident68 Ų6872.6 Ų72.632%0.31842%0.416SS..EExtended strand (participates in β ladder)trans-99.2117.1168.9-172.5-178.8-55.600108.3L232 I246 Y248L232-Q238 HydrophobicContact CD1-CB 4.48Å; L232-Q238 HydrophobicContact CD2-CB 3.88Å; Q238-I246 HydrophobicContact CG-CG2 3.48Å; Q238-I246 VanDerWaalsContact CG-CG2 3.48Å; Q238-Y248 HydrophobicContact CB-CD1 4.17Å; Q238-Y248 HydrophobicContact CB-CE1 4Å; Q238-Y248 HydrophobicContact CG-CD1 4.18Å; Q238-Y248 HydrophobicContact CG-CE1 3.68Å
239A80.8Confident75.7Confident16 Ų1672.5 Ų72.513%0.13241%0.411CS..EExtended strand (participates in β ladder)trans-115.5170.717600000110I246 Y247 I249A239-I246 WeakPolarHBondContact O-CA 3.31Å; A239-Y247 CarbonylContact C-O 3.56Å; A239-Y247 HydrophobicContact CB-CD1 4.23Å; A239-Y247 HydrophobicContact CB-CD2 4.33Å; A239-Y247 HydrophobicContact CB-CE1 3.71Å; A239-Y247 HydrophobicContact CB-CE2 3.83Å; A239-Y247 VanDerWaalsContact CB-CZ 3.48Å; A239-Y247 PolarHBondContact N-O 2.87Å; A239-Y247 PolarHBondContact O-N 3.07Å; A239-I249 HydrophobicContact CB-CD1 3.8Å; A239-I249 HydrophobicContact CB-CG1 4.2Å
240M79.8Confident77.1Confident60 Ų6067.3 Ų67.330%0.29637%0.373SS..EExtended strand (participates in β ladder)trans-136.1147.8170.768.8-178.6-169.300112.3W199 E245 Y247W199-M240 HydrophobicContact CB-CE 3.5Å; W199-M240 VanDerWaalsContact CD1-CE 3.46Å; W199-M240 HydrophobicContact CG-CE 3.81Å; M240-E245 CarbonylContact C-O 3.49Å; M240-E245 VanDerWaalsContact CA-O 3.23Å; M240-E245 WeakPolarHBondContact CA-O 3.46Å; M240-Y247 VanDerWaalsContact C-CE1 3.45Å
241T78Confident78.3Confident33 Ų3369.1 Ų69.120%0.20237%0.372CS..  trans-73168.2176.963.80000110.8D243 G244 E245 Y247 W258T241-D243 PolarHBondContact O-N 3.37Å; T241-D243 PolarHBondContact OG1-N 3.04Å; T241-G244 PolarHBondContact O-N 2.89Å; T241-E245 HydrophobicContact CG2-CB 4.46Å; T241-E245 PolarHBondContact N-O 2.71Å; T241-E245 WeakPolarHBondContact OG1-CB 3.46Å; T241-E245 PolarHBondContact OG1-N 2.75Å; T241-E245 VanDerWaalsContact OG1-N 3.11Å; T241-E245 PolarHBondContact OG1-O 3.49Å; T241-Y247 HydrophobicContact CG2-CD1 3.77Å; T241-Y247 HydrophobicContact CG2-CE1 3.89Å; T241-W258 HydrophobicContact CG2-CH2 3.72Å; T241-W258 HydrophobicContact CG2-CZ3 4.13Å
242Q65.1Low78.4Confident192 Ų19270.9 Ų70.990%0.89737%0.367SS*.THydrogen-bonded Turntrans-60-24.5173.6-173.9174.2-9.400112.5G244Q242-G244 VanDerWaalsContact C-N 3.28Å
243D61.3Low78.6Confident140 Ų14073 Ų7375%0.74938%0.378SS*.THydrogen-bonded Turntrans-84.3-0.3177.3-49.8-69.8000113.1T241T241-D243 PolarHBondContact O-N 3.37Å; T241-D243 PolarHBondContact OG1-N 3.04Å
244G72.2Confident78.6Confident46 Ų4677.8 Ų77.847%0.47439%0.394SS..SBendtrans848.4179.900000114.9T241 Q242T241-G244 PolarHBondContact O-N 2.89Å; Q242-G244 VanDerWaalsContact C-N 3.28Å
245E73.1Confident78.1Confident110 Ų11074.2 Ų74.251%0.51438%0.377SS..  trans-79.8127.6178-57.2-172.8116.400110.9M240 T241 W258M240-E245 CarbonylContact C-O 3.49Å; M240-E245 VanDerWaalsContact CA-O 3.23Å; M240-E245 WeakPolarHBondContact CA-O 3.46Å; T241-E245 HydrophobicContact CG2-CB 4.46Å; T241-E245 PolarHBondContact N-O 2.71Å; T241-E245 WeakPolarHBondContact OG1-CB 3.46Å; T241-E245 PolarHBondContact OG1-N 2.75Å; T241-E245 VanDerWaalsContact OG1-N 3.11Å; T241-E245 PolarHBondContact OG1-O 3.49Å; E245-W258 HydrophobicContact CB-CH2 4.3Å; E245-W258 HydrophobicContact CB-CZ3 3.72Å
246I80.6Confident78.1Confident67 Ų6777.5 Ų77.534%0.34439%0.391SS..EExtended strand (participates in β ladder)trans-78130.6179.7-61.3173.2000110Q238 A239 Y248Q238-I246 HydrophobicContact CG-CG2 3.48Å; Q238-I246 VanDerWaalsContact CG-CG2 3.48Å; A239-I246 WeakPolarHBondContact O-CA 3.31Å; I246-Y248 HydrophobicContact CG2-CE2 3.95Å
247Y80.9Confident77.7Confident64 Ų6476 Ų7625%0.25139%0.391SS..EExtended strand (participates in β ladder)trans-134.7160.3172.270.8-82000111.1A239 M240 T241 I249 T256A239-Y247 CarbonylContact C-O 3.56Å; A239-Y247 HydrophobicContact CB-CD1 4.23Å; A239-Y247 HydrophobicContact CB-CD2 4.33Å; A239-Y247 HydrophobicContact CB-CE1 3.71Å; A239-Y247 HydrophobicContact CB-CE2 3.83Å; A239-Y247 VanDerWaalsContact CB-CZ 3.48Å; A239-Y247 PolarHBondContact N-O 2.87Å; A239-Y247 PolarHBondContact O-N 3.07Å; M240-Y247 VanDerWaalsContact C-CE1 3.45Å; T241-Y247 HydrophobicContact CG2-CD1 3.77Å; T241-Y247 HydrophobicContact CG2-CE1 3.89Å; Y247-I249 HydrophobicContact CD2-CG1 3.96Å; Y247-I249 HydrophobicContact CE2-CD1 3.73Å; Y247-I249 HydrophobicContact CE2-CG1 3.58Å; Y247-T256 HydrophobicContact CD2-CG2 4.37Å; Y247-T256 HydrophobicContact CE2-CG2 4.31Å
248Y85.4Confident77.6Confident16 Ų1678.7 Ų78.76%0.06340%0.398CS..EExtended strand (participates in β ladder)trans-117.2129.7-172.5-60.9-90.9000109.8L232 E237 Q238 I246 T256 S257 L259 D260L232-Y248 HydrophobicContact CD2-CD1 4.02Å; L232-Y248 HydrophobicContact CD2-CE1 4.38Å; E237-Y248 CarbonylContact O-C 3.53Å; E237-Y248 VanDerWaalsContact O-CA 3.31Å; E237-Y248 WeakPolarHBondContact O-CA 3.45Å; Q238-Y248 HydrophobicContact CB-CD1 4.17Å; Q238-Y248 HydrophobicContact CB-CE1 4Å; Q238-Y248 HydrophobicContact CG-CD1 4.18Å; Q238-Y248 HydrophobicContact CG-CE1 3.68Å; I246-Y248 HydrophobicContact CG2-CE2 3.95Å; Y248-T256 CarbonylContact O-C 3.54Å; Y248-T256 VanDerWaalsContact O-CA 3.31Å; Y248-T256 WeakPolarHBondContact O-CA 3.48Å; Y248-S257 PolarHBondContact N-O 3.43Å; Y248-S257 PolarHBondContact O-N 3.11Å; Y248-L259 VanDerWaalsContact CD2-C 3.49Å; Y248-L259 WeakPolarHBondContact CD2-O 3.31Å; Y248-D260 HydrophobicContact CD2-CB 4.27Å; Y248-D260 HydrophobicContact CE1-CB 3.89Å; Y248-D260 VanDerWaalsContact CE2-CA 3.42Å; Y248-D260 HydrophobicContact CE2-CB 3.64Å; Y248-D260 VanDerWaalsContact CZ-CB 3.43Å; Y248-D260 PolarHBondContact OH-OD2 3.43Å
249I83.4Confident77.3Confident32 Ų3277.5 Ų77.516%0.16439%0.394CS..EExtended strand (participates in β ladder)trans-108.1121.9-179-49.7179.2000108.1W236 E237 A239 Y247 T256W236-I249 CarbonylContact C-O 3.53Å; W236-I249 VanDerWaalsContact CA-O 3.31Å; W236-I249 WeakPolarHBondContact CA-O 3.41Å; E237-I249 HydrophobicContact CB-CB 4.3Å; E237-I249 PolarHBondContact N-O 3.27Å; E237-I249 PolarHBondContact O-N 2.99Å; A239-I249 HydrophobicContact CB-CD1 3.8Å; A239-I249 HydrophobicContact CB-CG1 4.2Å; Y247-I249 HydrophobicContact CD2-CG1 3.96Å; Y247-I249 HydrophobicContact CE2-CD1 3.73Å; Y247-I249 HydrophobicContact CE2-CG1 3.58Å; I249-T256 HydrophobicContact CG1-CG2 4.14Å; I249-T256 HydrophobicContact CG2-CG2 4.34Å
250N83.3Confident77.3Confident15 Ų1577 Ų778%0.0839%0.389CS..EExtended strand (participates in β ladder)trans-96107.4171.8-179.4-33.5000109.5G235 W236 K252 N253 K254 T255G235-N250 CarbonylContact O-C 3.59Å; G235-N250 WeakPolarHBondContact O-CA 3.48Å; W236-N250 HydrophobicContact CD2-CB 3.83Å; W236-N250 HydrophobicContact CE3-CB 3.79Å; W236-N250 HydrophobicContact CH2-CB 3.96Å; W236-N250 HydrophobicContact CZ2-CB 3.99Å; W236-N250 WeakPolarHBondContact CZ2-ND2 3.49Å; W236-N250 HydrophobicContact CZ3-CB 3.86Å; W236-N250 PolarHBondContact NE1-ND2 3.19Å; N250-K252 VanDerWaalsContact C-N 3.3Å; N250-K252 PolarHBondContact O-N 3.39Å; N250-K252 WeakPolarHBondContact OD1-CA 3.23Å; N250-K252 WeakPolarHBondContact OD1-CB 3.43Å; N250-K252 PolarHBondContact OD1-N 3.24Å; N250-N253 WeakPolarHBondContact CB-OD1 3.25Å; N250-N253 VanDerWaalsContact CG-CG 3.49Å; N250-N253 PolarHBondContact O-OD1 3.46Å; N250-N253 PolarHBondContact OD1-N 2.94Å; N250-N253 VanDerWaalsContact OD1-N 3.11Å; N250-N253 PolarHBondContact OD1-OD1 3.45Å; N250-N253 VanDerWaalsContact OD1-OD1 3.12Å; N250-K254 WeakPolarHBondContact O-CA 3.47Å; N250-K254 PolarHBondContact O-N 3.07Å; N250-T255 PolarHBondContact N-O 2.92Å; N250-T255 PolarHBondContact O-N 3.32Å
251H79.1Confident76.9Confident75 Ų7576.1 Ų76.135%0.34739%0.388SS..THydrogen-bonded Turntrans-72.1-18.8-179.6-75.8-74.7000114.5G235 E237 K254G235-H251 WeakPolarHBondContact O-CB 3.44Å; G235-H251 PolarHBondContact O-N 3.35Å; E237-H251 IonicContact OE2-CD2 3.04Å; E237-H251 IonicContact OE2-CE1 3.04Å; E237-H251 PolarHBondContact OE2-CE1 3.5Å; E237-H251 IonicContact OE2-NE2 3.01Å; E237-H251 PolarHBondContact OE2-NE2 3.4Å; H251-K254 WeakPolarHBondContact O-CD 3.38Å; H251-K254 WeakPolarHBondContact O-CE 3.22Å; H251-K254 PolarHBondContact O-NZ 2.88Å
252K72.3Confident76.8Confident161 Ų16177.2 Ų77.270%0.739%0.388SS*.THydrogen-bonded Turntrans-80.3-32.4-178.4-61.1174.771162.50111.9D234 N250D234-K252 WeakPolarHBondContact O-CD 3.2Å; N250-K252 VanDerWaalsContact C-N 3.3Å; N250-K252 PolarHBondContact O-N 3.39Å; N250-K252 WeakPolarHBondContact OD1-CA 3.23Å; N250-K252 WeakPolarHBondContact OD1-CB 3.43Å; N250-K252 PolarHBondContact OD1-N 3.24Å
253N84.6Confident76.8Confident87 Ų8771 Ų7147%0.46536%0.36SS..THydrogen-bonded Turntrans-115.8-1.3177.770.14.3000114N250 T255N250-N253 WeakPolarHBondContact CB-OD1 3.25Å; N250-N253 VanDerWaalsContact CG-CG 3.49Å; N250-N253 PolarHBondContact O-OD1 3.46Å; N250-N253 PolarHBondContact OD1-N 2.94Å; N250-N253 VanDerWaalsContact OD1-N 3.11Å; N250-N253 PolarHBondContact OD1-OD1 3.45Å; N250-N253 VanDerWaalsContact OD1-OD1 3.12Å; N253-T255 VanDerWaalsContact C-N 3.33Å; N253-T255 HydrophobicContact CB-CG2 4.4Å; N253-T255 PolarHBondContact ND2-OG1 3.43Å; N253-T255 VanDerWaalsContact ND2-OG1 3.09Å; N253-T255 PolarHBondContact O-N 3.05Å; N253-T255 WeakPolarHBondContact OD1-CB 3.38Å; N253-T255 WeakPolarHBondContact OD1-CG2 3.13Å; N253-T255 PolarHBondContact OD1-N 3.3Å; N253-T255 PolarHBondContact OD1-OG1 3.33Å
254K80.6Confident76.6Confident156 Ų15668.4 Ų68.468%0.67835%0.347SS*.THydrogen-bonded Turntrans5542.3-176.7-55.3-53.3-174.2-161.70113.5N250 H251N250-K254 WeakPolarHBondContact O-CA 3.47Å; N250-K254 PolarHBondContact O-N 3.07Å; H251-K254 WeakPolarHBondContact O-CD 3.38Å; H251-K254 WeakPolarHBondContact O-CE 3.22Å; H251-K254 PolarHBondContact O-NZ 2.88Å
255T65.4Low75.9Confident62 Ų6271.1 Ų71.138%0.3836%0.356SS..EExtended strand (participates in β ladder)trans-110.5156.2173.965.30000111.9N250 N253N250-T255 PolarHBondContact N-O 2.92Å; N250-T255 PolarHBondContact O-N 3.32Å; N253-T255 VanDerWaalsContact C-N 3.33Å; N253-T255 HydrophobicContact CB-CG2 4.4Å; N253-T255 PolarHBondContact ND2-OG1 3.43Å; N253-T255 VanDerWaalsContact ND2-OG1 3.09Å; N253-T255 PolarHBondContact O-N 3.05Å; N253-T255 WeakPolarHBondContact OD1-CB 3.38Å; N253-T255 WeakPolarHBondContact OD1-CG2 3.13Å; N253-T255 PolarHBondContact OD1-N 3.3Å; N253-T255 PolarHBondContact OD1-OG1 3.33Å
256T79.2Confident75Confident102 Ų10275.7 Ų75.763%0.62637%0.369SS*.EExtended strand (participates in β ladder)trans-115.3150.9170.157.10000110.9Y247 Y248 I249Y247-T256 HydrophobicContact CD2-CG2 4.37Å; Y247-T256 HydrophobicContact CE2-CG2 4.31Å; Y248-T256 CarbonylContact O-C 3.54Å; Y248-T256 VanDerWaalsContact O-CA 3.31Å; Y248-T256 WeakPolarHBondContact O-CA 3.48Å; I249-T256 HydrophobicContact CG1-CG2 4.14Å; I249-T256 HydrophobicContact CG2-CG2 4.34Å
257S76Confident73.8Confident35 Ų3578.5 Ų78.525%0.24538%0.379CS..EExtended strand (participates in β ladder)trans-145.3134.3-174.4173.80000110.5Y248 L259Y248-S257 PolarHBondContact N-O 3.43Å; Y248-S257 PolarHBondContact O-N 3.11Å; S257-L259 PolarHBondContact O-N 3.12Å; S257-L259 PolarHBondContact OG-N 3.11Å; S257-L259 PolarHBondContact OG-O 3.42Å
258W83.2Confident72.6Confident115 Ų11577 Ų7744%0.43638%0.38SS..SBendtrans-76.6-9.7168.9-62.6108.6000113.3T241 E245T241-W258 HydrophobicContact CG2-CH2 3.72Å; T241-W258 HydrophobicContact CG2-CZ3 4.13Å; E245-W258 HydrophobicContact CB-CH2 4.3Å; E245-W258 HydrophobicContact CB-CZ3 3.72Å
259L79.1Confident71.1Confident43 Ų4380.1 Ų80.123%0.22540%0.396CS..SBendtrans-98.3130.5177-17475.7000110.3Y248 S257 L263 A268Y248-L259 VanDerWaalsContact CD2-C 3.49Å; Y248-L259 WeakPolarHBondContact CD2-O 3.31Å; S257-L259 PolarHBondContact O-N 3.12Å; S257-L259 PolarHBondContact OG-N 3.11Å; S257-L259 PolarHBondContact OG-O 3.42Å; L259-L263 HydrophobicContact CD1-CB 4.42Å; L259-A268 HydrophobicContact CD1-CB 4.32Å; L259-A268 HydrophobicContact CD2-CB 3.54Å
260D79.9Confident69.7Low7 Ų784.3 Ų84.34%0.03742%0.419CS..  trans-61.1126.8170.9-173-25.8000110.1Y248 R262 L263Y248-D260 HydrophobicContact CD2-CB 4.27Å; Y248-D260 HydrophobicContact CE1-CB 3.89Å; Y248-D260 VanDerWaalsContact CE2-CA 3.42Å; Y248-D260 HydrophobicContact CE2-CB 3.64Å; Y248-D260 VanDerWaalsContact CZ-CB 3.43Å; Y248-D260 PolarHBondContact OH-OD2 3.43Å; D260-R262 PolarHBondContact O-N 2.86Å; D260-R262 VanDerWaalsContact O-N 3.11Å; D260-R262 WeakPolarHBondContact OD1-CB 3.4Å; D260-R262 WeakPolarHBondContact OD1-CG 3.16Å; D260-R262 IonicContact OD1-CZ 3.35Å; D260-R262 PolarHBondContact OD1-N 3.17Å; D260-R262 IonicContact OD1-NE 3.2Å; D260-R262 PolarHBondContact OD1-NE 3.02Å; D260-R262 IonicContact OD1-NH2 3.64Å; D260-R262 IonicContact OD2-CZ 3.27Å; D260-R262 VanDerWaalsContact OD2-CZ 3.28Å; D260-R262 IonicContact OD2-NE 2.69Å; D260-R262 PolarHBondContact OD2-NE 3.3Å; D260-R262 IonicContact OD2-NH2 2.84Å; D260-R262 PolarHBondContact OD2-NH2 2.82Å; D260-L263 HydrophobicContact CB-CB 4.26Å; D260-L263 HydrophobicContact CB-CD1 3.77Å; D260-L263 HydrophobicContact CB-CG 3.8Å; D260-L263 PolarHBondContact O-N 3.26Å
261P72.9Confident68Low41 Ų4187 Ų8727%0.26643%0.431SS..THydrogen-bonded Turntrans-61.6-16.2177.128.9-39.4000114.2P233 W236P233-P261 HydrophobicContact CG-CB 4.31Å; P233-P261 HydrophobicContact CG-CG 4.33Å; W236-P261 HydrophobicContact CB-CG 4.09Å; W236-P261 HydrophobicContact CD2-CB 3.64Å; W236-P261 HydrophobicContact CD2-CG 3.56Å; W236-P261 HydrophobicContact CE3-CB 3.93Å; W236-P261 HydrophobicContact CE3-CG 3.68Å; W236-P261 HydrophobicContact CG-CB 4.13Å; W236-P261 HydrophobicContact CG-CG 3.78Å; W236-P261 HydrophobicContact CH2-CB 4.05Å; W236-P261 HydrophobicContact CZ2-CB 3.78Å; W236-P261 HydrophobicContact CZ3-CB 4.12Å; W236-P261 HydrophobicContact CZ3-CG 4.24Å
262R74.4Confident66.6Low56 Ų5692 Ų9221%0.21145%0.446CS..THydrogen-bonded Turntrans-84.4-15.3175.9-56.4169.3-66.8-168.1-2112.8A228 G230 P233 D260A228-R262 HydrophobicContact CB-CB 3.96Å; A228-R262 WeakPolarHBondContact O-CD 3.19Å; G230-R262 PolarHBondContact O-NH1 2.84Å; P233-R262 HydrophobicContact CG-CG 4.49Å; D260-R262 PolarHBondContact O-N 2.86Å; D260-R262 VanDerWaalsContact O-N 3.11Å; D260-R262 WeakPolarHBondContact OD1-CB 3.4Å; D260-R262 WeakPolarHBondContact OD1-CG 3.16Å; D260-R262 IonicContact OD1-CZ 3.35Å; D260-R262 PolarHBondContact OD1-N 3.17Å; D260-R262 IonicContact OD1-NE 3.2Å; D260-R262 PolarHBondContact OD1-NE 3.02Å; D260-R262 IonicContact OD1-NH2 3.64Å; D260-R262 IonicContact OD2-CZ 3.27Å; D260-R262 VanDerWaalsContact OD2-CZ 3.28Å; D260-R262 IonicContact OD2-NE 2.69Å; D260-R262 PolarHBondContact OD2-NE 3.3Å; D260-R262 IonicContact OD2-NH2 2.84Å; D260-R262 PolarHBondContact OD2-NH2 2.82Å
263L66.1Low65.7Low60 Ų6089.3 Ų89.331%0.31444%0.439SS..SBendtrans-88.2132.8-179.7-69.2176.5000111.4A228 L259 D260A228-L263 HydrophobicContact CB-CD2 4.31Å; L259-L263 HydrophobicContact CD1-CB 4.42Å; D260-L263 HydrophobicContact CB-CB 4.26Å; D260-L263 HydrophobicContact CB-CD1 3.77Å; D260-L263 HydrophobicContact CB-CG 3.8Å; D260-L263 PolarHBondContact O-N 3.26Å
264D56.2Low63.9Low87 Ų8790.2 Ų90.247%0.46545%0.452SS..  trans-54.3136.5-178.8-170.8-58.2000111.6R266 F267D264-R266 PolarHBondContact O-N 2.8Å; D264-R266 WeakPolarHBondContact OD1-CB 3.35Å; D264-R266 VanDerWaalsContact OD1-CG 3.26Å; D264-R266 WeakPolarHBondContact OD1-CG 3.22Å; D264-R266 PolarHBondContact OD1-N 3.11Å; D264-F267 HydrophobicContact CB-CD2 3.96Å; D264-F267 HydrophobicContact CB-CE2 4.06Å; D264-F267 WeakPolarHBondContact O-CD2 3.31Å; D264-F267 PolarHBondContact O-N 2.82Å
265P58.2Low62.1Low103 Ų10388.3 Ų88.367%0.66945%0.445SS*.Hα-helixtrans-49.9-20.2178.3-30.635.9000115.8F267 A268P265-F267 VanDerWaalsContact C-N 3.27Å; P265-F267 PolarHBondContact O-N 2.83Å; P265-A268 VanDerWaalsContact O-CB 3.26Å; P265-A268 WeakPolarHBondContact O-CB 3.49Å; P265-A268 PolarHBondContact O-N 2.76Å
266R53.8Low60.6Low205 Ų20590 Ų9077%0.77446%0.46SS*.Hα-helixtrans-60.2-32.3172.3-66.1-178.473.4121.57.3113.4D264D264-R266 PolarHBondContact O-N 2.8Å; D264-R266 WeakPolarHBondContact OD1-CB 3.35Å; D264-R266 VanDerWaalsContact OD1-CG 3.26Å; D264-R266 WeakPolarHBondContact OD1-CG 3.22Å; D264-R266 PolarHBondContact OD1-N 3.11Å
267F56.1Low58.4Low126 Ų12689.1 Ų89.155%0.55346%0.463SS*.Hα-helixtrans-74.5-28177.1-64-76.3000112.6D264 P265 M269 N270D264-F267 HydrophobicContact CB-CD2 3.96Å; D264-F267 HydrophobicContact CB-CE2 4.06Å; D264-F267 WeakPolarHBondContact O-CD2 3.31Å; D264-F267 PolarHBondContact O-N 2.82Å; P265-F267 VanDerWaalsContact C-N 3.27Å; P265-F267 PolarHBondContact O-N 2.83Å; F267-M269 VanDerWaalsContact C-N 3.3Å; F267-M269 PolarHBondContact O-N 3.06Å; F267-N270 PolarHBondContact O-N 2.94Å
268A56.1Low56.7Low34 Ų3493.5 Ų93.528%0.28149%0.491SS..Hα-helixtrans-60.4-37.4177.700000113.2L259 P265 N270 Q271 R272L259-A268 HydrophobicContact CD1-CB 4.32Å; L259-A268 HydrophobicContact CD2-CB 3.54Å; P265-A268 VanDerWaalsContact O-CB 3.26Å; P265-A268 WeakPolarHBondContact O-CB 3.49Å; P265-A268 PolarHBondContact O-N 2.76Å; A268-N270 VanDerWaalsContact C-N 3.31Å; A268-N270 PolarHBondContact O-N 3.46Å; A268-Q271 PolarHBondContact O-N 3.32Å; A268-R272 PolarHBondContact O-N 3.1Å
269M53.9Low54.5Low81 Ų8194.4 Ų94.440%0.39951%0.509SS..Hα-helixtrans-65.9-34.4-174.9-165.266.8176.200112.2F267 I273F267-M269 VanDerWaalsContact C-N 3.3Å; F267-M269 PolarHBondContact O-N 3.06Å; M269-I273 WeakPolarHBondContact O-CD1 3.35Å
270N52.5Low52.4Low120 Ų120102 Ų10264%0.64254%0.54SS*.Hα-helixtrans-76.1-37.8-179.1-74.96.9000112.6F267 A268F267-N270 PolarHBondContact O-N 2.94Å; A268-N270 VanDerWaalsContact C-N 3.31Å; A268-N270 PolarHBondContact O-N 3.46Å
271Q49.3Very low50.3Low72 Ų72109.7 Ų109.734%0.33658%0.575SS.*Hα-helixtrans-69-36.6177.3-97.8-157.963.700113A268 I273 S274A268-Q271 PolarHBondContact O-N 3.32Å; Q271-I273 PolarHBondContact O-N 3.31Å; Q271-I273 VanDerWaalsContact O-N 3.1Å; Q271-S274 PolarHBondContact O-N 3.18Å
272R49.4Very low48.5Very low178 Ų178113.3 Ų113.367%0.67260%0.599SS**THydrogen-bonded Turntrans-64.9-16.4-177.3-168.5-97.3-74.5-105.6-2.6113.7A268A268-R272 PolarHBondContact O-N 3.1Å
273I52.5Low46.9Very low105 Ų105116.2 Ų116.254%0.53863%0.625SS.*THydrogen-bonded Turntrans-81.8-21.1177.2-68.4164000111.9M269 Q271M269-I273 WeakPolarHBondContact O-CD1 3.35Å; Q271-I273 PolarHBondContact O-N 3.31Å; Q271-I273 VanDerWaalsContact O-N 3.1Å
274S47.6Very low45.7Very low107 Ų107119.5 Ų119.575%0.74865%0.65SS**THydrogen-bonded Turntrans-94.8-17-177.3-56.70000114.5Q271Q271-S274 PolarHBondContact O-N 3.18Å
275Q41.7Very low44.9Very low115 Ų115123.5 Ų123.554%0.53767%0.671SS.*  trans-105.113.1-174.6-64.8-155.650.500115A277Q275-A277 PolarHBondContact O-N 2.67Å
276S35.5Very low43.9Very low97 Ų97123 Ų12368%0.67868%0.675SS**  trans-80.282.717361.30000111.5
277A32Very low43.7Very low84 Ų84118.6 Ų118.669%0.69467%0.673SS**  trans-61.7141.1168.700000111Q275 V279Q275-A277 PolarHBondContact O-N 2.67Å; A277-V279 PolarHBondContact O-N 3.09Å
278P39.5Very low42.7Very low127 Ų127121.3 Ų121.383%0.82569%0.687SS**  trans-75.8114.9-174.929-33.9000111.9K280P278-K280 PolarHBondContact O-N 2.72Å
279V37.6Very low41.8Very low135 Ų135124.2 Ų124.282%0.81871%0.706SS**  trans-66.8113.5165.9171.80000109A277 Q281A277-V279 PolarHBondContact O-N 3.09Å; V279-Q281 PolarHBondContact O-N 3.02Å
280K35.8Very low42Very low203 Ų203125.6 Ų125.688%0.88372%0.721SS**  trans-77.488.4-176-167.1174.9-174.1175.90111.3P278P278-K280 PolarHBondContact O-N 2.72Å
281Q34.4Very low41.2Very low167 Ų167129.4 Ų129.478%0.7874%0.735SS**PPolyproline II helixtrans-73.2145.8164.7-76.8-173.9-24.100111V279V279-Q281 PolarHBondContact O-N 3.02Å
282P36Very low40.8Very low117 Ų117129.9 Ų129.976%0.7676%0.759SS**PPolyproline II helixtrans-75.6141173.731.5-33.6000111.1
283P40.2Very low40.3Very low118 Ų118124.9 Ų124.977%0.76676%0.763SS**PPolyproline II helixtrans-79.2143.8179.731.8-34.5000112.3
284P42.4Very low40.1Very low128 Ų128126.2 Ų126.283%0.83178%0.776SS**PPolyproline II helixtrans-73.1157.2164.132-33.2000111.4
285L38.6Very low40Very low172 Ų172129.5 Ų129.590%0.90178%0.781SS**PPolyproline II helixtrans-92.1154.2-171.3-79.6158.6000114.3
286A37.4Very low40.3Very low93 Ų93128.1 Ų128.177%0.76980%0.798SS**  trans79155.6158.200000119
287P49.1Very low41Very low112 Ų112126.1 Ų126.173%0.72779%0.793SS**  cis-135.3165.2-33.934.4-16.8000115.5
288Q34.5Very low42Very low182 Ų182126.4 Ų126.485%0.8579%0.789SS**  trans14.6141.7142.8-70.8-171.178.100120.7
289S36.8Very low42.9Very low95 Ų95126.5 Ų126.566%0.66478%0.783SS**  cis-160.3-142.32.5-80.70000109.7
290P59.2Low44.2Very low111 Ų111123.5 Ų123.572%0.72177%0.768SS**  -119.7157.5-100.838.7-24.2000115.2
291Q35.8Very low46Very low200 Ų200117.8 Ų117.894%0.93575%0.747SS**  trans-175.1146138.3-102.8157.421.200110.8
292G41Very low48.1Very low82 Ų82116 Ų11685%0.84574%0.739SS**  trans-90.3163.3-17600000113.5
293G39Very low50.2Low73 Ų73117.1 Ų117.175%0.75373%0.734SS**  trans161.990.3176.600000113.7
294V47.4Very low52.3Low133 Ų133117.1 Ų117.181%0.80672%0.724SS**  trans12.6149.8151.5-61.60000122.8
295M45.4Very low54.4Low175 Ų175116.9 Ų116.986%0.86271%0.712SS**  trans79.7118.2161.8-65.8-162.3-70.600119.6
296G48.1Very low56.8Low87 Ų87115 Ų11590%0.89770%0.7SS**  trans-74.7133.6160.900000111.2
297G51.4Low59.2Low54 Ų54118.6 Ų118.656%0.55769%0.693SS**  trans-175-24.2177.600000113.1N299 S300G297-N299 VanDerWaalsContact C-N 3.33Å; G297-N299 PolarHBondContact O-N 3.02Å; G297-S300 PolarHBondContact O-OG 2.84Å
298S53Low61.3Low90 Ų90118 Ų11863%0.62968%0.683SS**Hα-helixtrans-69-19.8-172.6-42.20000115.9S300 N301 Q302S298-S300 PolarHBondContact O-N 3.31Å; S298-N301 PolarHBondContact O-N 3.07Å; S298-Q302 PolarHBondContact O-N 2.85Å; S298-Q302 VanDerWaalsContact O-N 3.08Å
299N58.4Low64.2Low130 Ų130115.6 Ų115.670%0.69567%0.672SS**Hα-helixtrans-68.1-36.5-173.7-70.3-16000113.1G297 Q303G297-N299 VanDerWaalsContact C-N 3.33Å; G297-N299 PolarHBondContact O-N 3.02Å; N299-Q303 WeakPolarHBondContact O-CB 3.48Å; N299-Q303 PolarHBondContact O-N 2.86Å
300S63.5Low66.8Low71 Ų71116.1 Ų116.150%0.49766%0.664SS.*Hα-helixtrans-66.7-42.2178.956.70000111.5G297 S298 Q303 Q304G297-S300 PolarHBondContact O-OG 2.84Å; S298-S300 PolarHBondContact O-N 3.31Å; S300-Q303 PolarHBondContact O-N 2.89Å; S300-Q304 VanDerWaalsContact O-CG 3.27Å; S300-Q304 WeakPolarHBondContact O-CG 3.26Å; S300-Q304 PolarHBondContact O-N 3.24Å
301N74.9Confident68.5Low83 Ų83115.5 Ų115.544%0.44465%0.654SS.*Hα-helixtrans-69.8-39178.3-167.4-89.3000111.9S298 Q303 Q304 Q305S298-N301 PolarHBondContact O-N 3.07Å; N301-Q303 VanDerWaalsContact C-N 3.34Å; N301-Q303 PolarHBondContact O-N 3.36Å; N301-Q304 WeakPolarHBondContact O-CB 3.41Å; N301-Q304 PolarHBondContact O-N 3.4Å; N301-Q305 WeakPolarHBondContact O-CG 3.48Å; N301-Q305 PolarHBondContact O-N 3.29Å; N301-Q305 PolarHBondContact OD1-NE2 3.49Å
302Q78.1Confident71.2Confident131 Ų131111.3 Ų111.361%0.61264%0.635SS**Hα-helixtrans-61.7-41.3172.6-173.3177.59100111.8S298 Q305 M306S298-Q302 PolarHBondContact O-N 2.85Å; S298-Q302 VanDerWaalsContact O-N 3.08Å; Q302-Q305 PolarHBondContact O-N 2.99Å; Q302-M306 WeakPolarHBondContact O-CG 3.41Å; Q302-M306 PolarHBondContact O-N 3.4Å
303Q79.8Confident73.7Confident139 Ų139113.8 Ų113.865%0.6563%0.626SS**Hα-helixtrans-68.7-33.6176.9-165.2171.661.400112.5N299 S300 N301 R307N299-Q303 WeakPolarHBondContact O-CB 3.48Å; N299-Q303 PolarHBondContact O-N 2.86Å; S300-Q303 PolarHBondContact O-N 2.89Å; N301-Q303 VanDerWaalsContact C-N 3.34Å; N301-Q303 PolarHBondContact O-N 3.36Å; Q303-R307 WeakPolarHBondContact O-CB 3.26Å; Q303-R307 PolarHBondContact O-N 3Å
304Q84.5Confident76.3Confident119 Ų119114.7 Ų114.756%0.55661%0.611SS**Hα-helixtrans-64.8-43.4171-741684.500112S300 N301 R307 L308S300-Q304 VanDerWaalsContact O-CG 3.27Å; S300-Q304 WeakPolarHBondContact O-CG 3.26Å; S300-Q304 PolarHBondContact O-N 3.24Å; N301-Q304 WeakPolarHBondContact O-CB 3.41Å; N301-Q304 PolarHBondContact O-N 3.4Å; Q304-R307 PolarHBondContact O-N 2.99Å; Q304-L308 WeakPolarHBondContact O-CB 3.16Å; Q304-L308 PolarHBondContact O-N 3.04Å
305Q87.1Confident78.4Confident123 Ų123115.8 Ų115.858%0.57561%0.605SS**Hα-helixtrans-62.2-44.7176.3-71.6177.963.800111.7N301 Q302 R307 L308 Q309N301-Q305 WeakPolarHBondContact O-CG 3.48Å; N301-Q305 PolarHBondContact O-N 3.29Å; N301-Q305 PolarHBondContact OD1-NE2 3.49Å; Q302-Q305 PolarHBondContact O-N 2.99Å; Q305-R307 PolarHBondContact O-N 3.42Å; Q305-L308 PolarHBondContact O-N 3.1Å; Q305-Q309 PolarHBondContact O-N 3Å
306M88.8Confident80.6Confident132 Ų132113 Ų11365%0.6559%0.59SS**Hα-helixtrans-59.6-43.9174-74.3-71.3-72.300112.3Q302 Q309 Q310Q302-M306 WeakPolarHBondContact O-CG 3.41Å; Q302-M306 PolarHBondContact O-N 3.4Å; M306-Q309 PolarHBondContact O-N 3.04Å; M306-Q310 PolarHBondContact O-N 3.34Å
307R87.8Confident82.9Confident169 Ų169117.1 Ų117.164%0.63858%0.578SS**Hα-helixtrans-63.9-41.5176.4-178.3180-114.6143.5-2.8112Q303 Q304 Q305 Q310 L311Q303-R307 WeakPolarHBondContact O-CB 3.26Å; Q303-R307 PolarHBondContact O-N 3Å; Q304-R307 PolarHBondContact O-N 2.99Å; Q305-R307 PolarHBondContact O-N 3.42Å; R307-Q310 PolarHBondContact O-N 3.35Å; R307-L311 HydrophobicContact CG-CD1 4.18Å; R307-L311 WeakPolarHBondContact O-CG 3.47Å; R307-L311 PolarHBondContact O-N 3.28Å
308L93.6Very high84.8Confident98 Ų98119.7 Ų119.751%0.51358%0.578SS.*Hα-helixtrans-64.5-43178.3-177.661.5000111.5Q304 Q305 L311 Q312Q304-L308 WeakPolarHBondContact O-CB 3.16Å; Q304-L308 PolarHBondContact O-N 3.04Å; Q305-L308 PolarHBondContact O-N 3.1Å; L308-L311 PolarHBondContact O-N 3.19Å; L308-Q312 WeakPolarHBondContact O-CG 3.42Å; L308-Q312 PolarHBondContact O-N 3.28Å
309Q93.7Very high86.8Confident132 Ų132122.4 Ų122.462%0.61758%0.575SS**Hα-helixtrans-65.4-38.7176.9-174.5150.393.600112.2Q305 M306 Q312 M313Q305-Q309 PolarHBondContact O-N 3Å; M306-Q309 PolarHBondContact O-N 3.04Å; Q309-Q312 PolarHBondContact O-N 3.17Å; Q309-M313 PolarHBondContact O-N 3.45Å
310Q91.4Very high88.5Confident107 Ų107120.5 Ų120.550%0.556%0.564SS.*Hα-helixtrans-61.5-45.5171.6-178.2172.58900111.8M306 R307 Q312 M313 E314M306-Q310 PolarHBondContact O-N 3.34Å; R307-Q310 PolarHBondContact O-N 3.35Å; Q310-Q312 VanDerWaalsContact C-N 3.31Å; Q310-Q312 PolarHBondContact O-N 3.34Å; Q310-M313 PolarHBondContact O-N 3.1Å; Q310-E314 WeakPolarHBondContact O-CB 3.36Å; Q310-E314 PolarHBondContact O-N 3.29Å
311L96.5Very high89.8Confident97 Ų97123.6 Ų123.651%0.50857%0.569SS.*Hα-helixtrans-62.7-35.3176.8-78.6164.6000112.8R307 L308 K315R307-L311 HydrophobicContact CG-CD1 4.18Å; R307-L311 WeakPolarHBondContact O-CG 3.47Å; R307-L311 PolarHBondContact O-N 3.28Å; L308-L311 PolarHBondContact O-N 3.19Å; L311-K315 VanDerWaalsContact O-CB 3.23Å; L311-K315 WeakPolarHBondContact O-CB 3.4Å; L311-K315 PolarHBondContact O-N 3.49Å
312Q92Very high90.4Very high112 Ų112125.7 Ų125.752%0.52358%0.575SS.*Hα-helixtrans-69.3-43.4175.8-77.8165.8-28.800112L308 Q309 Q310 K315 E316L308-Q312 WeakPolarHBondContact O-CG 3.42Å; L308-Q312 PolarHBondContact O-N 3.28Å; Q309-Q312 PolarHBondContact O-N 3.17Å; Q310-Q312 VanDerWaalsContact C-N 3.31Å; Q310-Q312 PolarHBondContact O-N 3.34Å; Q312-K315 PolarHBondContact O-N 3.12Å; Q312-E316 PolarHBondContact O-N 2.94Å
313M93.8Very high90.9Very high135 Ų135124.9 Ų124.967%0.66557%0.572SS**Hα-helixtrans-63.8-40.7173.6-171.8-176.1-66.300111.7Q309 Q310 E316 R317Q309-M313 PolarHBondContact O-N 3.45Å; Q310-M313 PolarHBondContact O-N 3.1Å; M313-E316 PolarHBondContact O-N 3.5Å; M313-R317 VanDerWaalsContact O-CB 3.32Å; M313-R317 WeakPolarHBondContact O-CB 3.5Å; M313-R317 PolarHBondContact O-N 3.21Å
314E91.9Very high91.1Very high92 Ų92122 Ų12243%0.4356%0.559SS.*Hα-helixtrans-66.4-41.9176.1-174.1169.7-174.100111.8Q310 E316 R317 L318Q310-E314 WeakPolarHBondContact O-CB 3.36Å; Q310-E314 PolarHBondContact O-N 3.29Å; E314-E316 PolarHBondContact O-N 3.07Å; E314-R317 PolarHBondContact O-N 3.47Å; E314-L318 VanDerWaalsContact O-CB 3.25Å; E314-L318 WeakPolarHBondContact O-CB 3.35Å; E314-L318 PolarHBondContact O-N 3.06Å
315K91.8Very high91.2Very high156 Ų156121 Ų12168%0.67856%0.556SS**Hα-helixtrans-58.2-45.6173.1173.3176.5172.4171.70111.6L311 Q312 L318 R319L311-K315 VanDerWaalsContact O-CB 3.23Å; L311-K315 WeakPolarHBondContact O-CB 3.4Å; L311-K315 PolarHBondContact O-N 3.49Å; Q312-K315 PolarHBondContact O-N 3.12Å; K315-L318 PolarHBondContact O-N 3.19Å; K315-R319 WeakPolarHBondContact O-CB 2.95Å; K315-R319 PolarHBondContact O-N 2.83Å
316E93.4Very high90.9Very high117 Ų117119.4 Ų119.455%0.54755%0.551SS.*Hα-helixtrans-65.5-45.2177.4-177.8170.4-141.700111.8Q312 M313 E314 L318 R319 L320Q312-E316 PolarHBondContact O-N 2.94Å; M313-E316 PolarHBondContact O-N 3.5Å; E314-E316 PolarHBondContact O-N 3.07Å; E316-L318 VanDerWaalsContact C-N 3.29Å; E316-L318 PolarHBondContact O-N 3.31Å; E316-R319 WeakPolarHBondContact O-CB 3.46Å; E316-R319 PolarHBondContact O-N 3.37Å; E316-L320 HydrophobicContact CG-CD1 4.31Å; E316-L320 PolarHBondContact O-N 3.46Å
317R94.8Very high90.6Very high173 Ų173119.9 Ų119.965%0.65355%0.546SS*.Hα-helixtrans-59-40.1174.6-174.3-128.5175.9173.11.4111.7M313 E314 L320 K321M313-R317 VanDerWaalsContact O-CB 3.32Å; M313-R317 WeakPolarHBondContact O-CB 3.5Å; M313-R317 PolarHBondContact O-N 3.21Å; E314-R317 PolarHBondContact O-N 3.47Å; R317-L320 PolarHBondContact O-N 2.94Å; R317-K321 WeakPolarHBondContact O-CB 3.36Å; R317-K321 PolarHBondContact O-N 2.99Å
318L92.4Very high89.9Confident108 Ų108117.3 Ų117.357%0.56554%0.541SS*.Hα-helixtrans-70.8-37.9177.7-166.666.5000111.4E314 K315 E316 K321 Q322E314-L318 VanDerWaalsContact O-CB 3.25Å; E314-L318 WeakPolarHBondContact O-CB 3.35Å; E314-L318 PolarHBondContact O-N 3.06Å; K315-L318 PolarHBondContact O-N 3.19Å; E316-L318 VanDerWaalsContact C-N 3.29Å; E316-L318 PolarHBondContact O-N 3.31Å; L318-K321 PolarHBondContact O-N 2.83Å; L318-Q322 WeakPolarHBondContact O-CB 3.38Å; L318-Q322 PolarHBondContact O-N 3.48Å
319R95Very high88.7Confident147 Ų147116.4 Ų116.456%0.55554%0.539SS*.Hα-helixtrans-61-45.1172.1-166.5-170.985.2108.8-1.1111.7K315 E316 Q322 Q323K315-R319 WeakPolarHBondContact O-CB 2.95Å; K315-R319 PolarHBondContact O-N 2.83Å; E316-R319 WeakPolarHBondContact O-CB 3.46Å; E316-R319 PolarHBondContact O-N 3.37Å; R319-Q322 PolarHBondContact O-N 3.41Å; R319-Q323 WeakPolarHBondContact O-CB 3.3Å; R319-Q323 PolarHBondContact O-N 2.87Å
320L92.7Very high87.2Confident89 Ų89116.2 Ų116.247%0.46653%0.533SS..Hα-helixtrans-63.6-44.1174.5-76.9166.8000111.4E316 R317 Q322 Q323 E324E316-L320 HydrophobicContact CG-CD1 4.31Å; E316-L320 PolarHBondContact O-N 3.46Å; R317-L320 PolarHBondContact O-N 2.94Å; L320-Q322 VanDerWaalsContact C-N 3.34Å; L320-Q322 PolarHBondContact O-N 2.68Å; L320-Q323 PolarHBondContact O-N 3.2Å; L320-E324 WeakPolarHBondContact O-CB 3.41Å; L320-E324 PolarHBondContact O-N 3.45Å
321K92.3Very high85.7Confident137 Ų137114.5 Ų114.560%0.59653%0.531SS*.Hα-helixtrans-61.7-39.8175.1-173.2179.9178.1-174.90112R317 L318 E324 L325R317-K321 WeakPolarHBondContact O-CB 3.36Å; R317-K321 PolarHBondContact O-N 2.99Å; L318-K321 PolarHBondContact O-N 2.83Å; K321-E324 PolarHBondContact O-N 3.3Å; K321-L325 WeakPolarHBondContact O-CB 3.47Å; K321-L325 PolarHBondContact O-N 3.37Å
322Q87Confident83.7Confident126 Ų126115.5 Ų115.559%0.58953%0.533SS*.Hα-helixtrans-66.4-43.2175.7-176.3-172.572.900111.3L318 R319 L320 E324 L325 L326L318-Q322 WeakPolarHBondContact O-CB 3.38Å; L318-Q322 PolarHBondContact O-N 3.48Å; R319-Q322 PolarHBondContact O-N 3.41Å; L320-Q322 VanDerWaalsContact C-N 3.34Å; L320-Q322 PolarHBondContact O-N 2.68Å; Q322-E324 VanDerWaalsContact C-N 3.34Å; Q322-E324 PolarHBondContact O-N 2.86Å; Q322-L325 PolarHBondContact O-N 3.32Å; Q322-L326 HydrophobicContact CG-CD1 4.32Å; Q322-L326 WeakPolarHBondContact O-CD1 3.43Å; Q322-L326 PolarHBondContact O-N 3.5Å
323Q87.8Confident82Confident114 Ų114113.1 Ų113.153%0.53353%0.533SS..Hα-helixtrans-62.3-40.8175.4-177.7173.577.100111.8R319 L320 L326 R327R319-Q323 WeakPolarHBondContact O-CB 3.3Å; R319-Q323 PolarHBondContact O-N 2.87Å; L320-Q323 PolarHBondContact O-N 3.2Å; Q323-L326 PolarHBondContact O-N 2.79Å; Q323-R327 WeakPolarHBondContact O-CB 3.45Å; Q323-R327 PolarHBondContact O-N 3.38Å
324E84.9Confident80Confident80 Ų80113.1 Ų113.137%0.37453%0.533SS..Hα-helixtrans-67.8-40175.1-179.655.3-157.400112L320 K321 Q322 L326 R327 Q328L320-E324 WeakPolarHBondContact O-CB 3.41Å; L320-E324 PolarHBondContact O-N 3.45Å; K321-E324 PolarHBondContact O-N 3.3Å; Q322-E324 VanDerWaalsContact C-N 3.34Å; Q322-E324 PolarHBondContact O-N 2.86Å; E324-L326 VanDerWaalsContact C-N 3.35Å; E324-L326 PolarHBondContact O-N 3.38Å; E324-R327 VanDerWaalsContact CD-NE 3.35Å; E324-R327 CarbonylContact O-C 3.54Å; E324-R327 WeakPolarHBondContact O-CA 3.33Å; E324-R327 WeakPolarHBondContact O-CB 3.35Å; E324-R327 PolarHBondContact O-N 3.1Å; E324-R327 VanDerWaalsContact O-N 3.1Å; E324-R327 IonicContact OE1-CZ 3.6Å; E324-R327 IonicContact OE1-NE 2.74Å; E324-R327 PolarHBondContact OE1-NE 2.81Å; E324-R327 IonicContact OE1-NH2 2.72Å; E324-R327 PolarHBondContact OE1-NH2 3.48Å; E324-R327 WeakPolarHBondContact OE2-CD 3.4Å; E324-R327 IonicContact OE2-CZ 3.84Å; E324-R327 IonicContact OE2-NE 2.69Å; E324-R327 PolarHBondContact OE2-NE 2.85Å; E324-R327 IonicContact OE2-NH2 2.78Å; E324-Q328 WeakPolarHBondContact O-CB 3.32Å; E324-Q328 PolarHBondContact O-N 2.85Å
325L85.9Confident78.2Confident96 Ų96118.4 Ų118.450%0.50355%0.549SS..Hα-helixtrans-61.5-43.8173.1-17169.2000110.8K321 Q322 R327 Q328 V329K321-L325 WeakPolarHBondContact O-CB 3.47Å; K321-L325 PolarHBondContact O-N 3.37Å; Q322-L325 PolarHBondContact O-N 3.32Å; L325-R327 VanDerWaalsContact C-N 3.32Å; L325-R327 PolarHBondContact O-N 2.9Å; L325-Q328 PolarHBondContact O-N 3.26Å; L325-V329 HydrophobicContact CD1-CG2 4.43Å; L325-V329 HydrophobicContact CG-CG2 4.38Å; L325-V329 WeakPolarHBondContact O-CB 3.25Å; L325-V329 VanDerWaalsContact O-CG2 3.3Å; L325-V329 WeakPolarHBondContact O-CG2 3.39Å; L325-V329 PolarHBondContact O-N 3.41Å
326L81.8Confident76.2Confident90 Ų90118 Ų11847%0.47155%0.554SS.*Hα-helixtrans-61.4-39.4171.7-99.566.2000111.8Q322 Q323 E324 Q328 R330Q322-L326 HydrophobicContact CG-CD1 4.32Å; Q322-L326 WeakPolarHBondContact O-CD1 3.43Å; Q322-L326 PolarHBondContact O-N 3.5Å; Q323-L326 PolarHBondContact O-N 2.79Å; E324-L326 VanDerWaalsContact C-N 3.35Å; E324-L326 PolarHBondContact O-N 3.38Å; L326-Q328 VanDerWaalsContact C-N 3.3Å; L326-Q328 PolarHBondContact O-N 2.96Å; L326-R330 WeakPolarHBondContact O-CB 3.45Å; L326-R330 PolarHBondContact O-N 3.4Å
327R81.2Confident74.4Confident143 Ų143115.6 Ų115.654%0.5454%0.544SS..Hα-helixtrans-64-34.2175.1-165.1-169.372.990.62.4112.1Q323 E324 L325 P331Q323-R327 WeakPolarHBondContact O-CB 3.45Å; Q323-R327 PolarHBondContact O-N 3.38Å; E324-R327 VanDerWaalsContact CD-NE 3.35Å; E324-R327 CarbonylContact O-C 3.54Å; E324-R327 WeakPolarHBondContact O-CA 3.33Å; E324-R327 WeakPolarHBondContact O-CB 3.35Å; E324-R327 PolarHBondContact O-N 3.1Å; E324-R327 VanDerWaalsContact O-N 3.1Å; E324-R327 IonicContact OE1-CZ 3.6Å; E324-R327 IonicContact OE1-NE 2.74Å; E324-R327 PolarHBondContact OE1-NE 2.81Å; E324-R327 IonicContact OE1-NH2 2.72Å; E324-R327 PolarHBondContact OE1-NH2 3.48Å; E324-R327 WeakPolarHBondContact OE2-CD 3.4Å; E324-R327 IonicContact OE2-CZ 3.84Å; E324-R327 IonicContact OE2-NE 2.69Å; E324-R327 PolarHBondContact OE2-NE 2.85Å; E324-R327 IonicContact OE2-NH2 2.78Å; L325-R327 VanDerWaalsContact C-N 3.32Å; L325-R327 PolarHBondContact O-N 2.9Å; R327-P331 WeakPolarHBondContact O-CD 3.43Å
328Q74.8Confident72.3Confident114 Ų114113.3 Ų113.353%0.53355%0.545SS..Hα-helixtrans-83.9-33.8-178.8-170.8174.181.500113.1E324 L325 L326 P331E324-Q328 WeakPolarHBondContact O-CB 3.32Å; E324-Q328 PolarHBondContact O-N 2.85Å; L325-Q328 PolarHBondContact O-N 3.26Å; L326-Q328 VanDerWaalsContact C-N 3.3Å; L326-Q328 PolarHBondContact O-N 2.96Å; Q328-P331 WeakPolarHBondContact O-CD 3.38Å; Q328-P331 WeakPolarHBondContact O-CG 3.23Å
329V67.8Low70.5Confident80 Ų80113.4 Ų113.449%0.48555%0.552SS.*Hα-helixtrans-78.1-32.2175.81740000111.9L325 Q332 A333L325-V329 HydrophobicContact CD1-CG2 4.43Å; L325-V329 HydrophobicContact CG-CG2 4.38Å; L325-V329 WeakPolarHBondContact O-CB 3.25Å; L325-V329 VanDerWaalsContact O-CG2 3.3Å; L325-V329 WeakPolarHBondContact O-CG2 3.39Å; L325-V329 PolarHBondContact O-N 3.41Å; V329-Q332 WeakPolarHBondContact O-CB 3.43Å; V329-Q332 PolarHBondContact O-N 3.03Å; V329-A333 PolarHBondContact O-N 3.46Å
330R61.3Low68.4Low127 Ų127112 Ų11248%0.47957%0.565SS.*Hα-helixtrans-51-49.8176.4-174.6-173-57.4135.42114.3L326 A333 M334L326-R330 WeakPolarHBondContact O-CB 3.45Å; L326-R330 PolarHBondContact O-N 3.4Å; R330-A333 PolarHBondContact O-N 2.88Å; R330-M334 WeakPolarHBondContact O-CG 3.27Å; R330-M334 PolarHBondContact O-N 3.29Å
331P61.1Low66.6Low71 Ų71111.1 Ų111.146%0.46156%0.563SS.*Hα-helixtrans-71.4-26.1176.127.9-35.5000113.4R327 Q328 M334 R335R327-P331 WeakPolarHBondContact O-CD 3.43Å; Q328-P331 WeakPolarHBondContact O-CD 3.38Å; Q328-P331 WeakPolarHBondContact O-CG 3.23Å; P331-M334 PolarHBondContact O-N 3.3Å; P331-R335 WeakPolarHBondContact O-CB 3.5Å; P331-R335 PolarHBondContact O-N 3Å
332Q54.3Low64.5Low118 Ų118108.3 Ų108.355%0.55157%0.565SS**Hα-helixtrans-66.7-44.6173-63.1-70.53.300110.7V329 M334 R335 N336V329-Q332 WeakPolarHBondContact O-CB 3.43Å; V329-Q332 PolarHBondContact O-N 3.03Å; Q332-M334 VanDerWaalsContact C-N 3.25Å; Q332-M334 PolarHBondContact O-N 3.47Å; Q332-R335 PolarHBondContact O-N 3.02Å; Q332-R335 VanDerWaalsContact O-N 3.12Å; Q332-N336 PolarHBondContact O-N 3.37Å
333A55.7Low62.8Low62 Ų62110.2 Ų110.251%0.51258%0.58SS.*Hα-helixtrans-62.1-30.2174.700000113.1V329 R330 I337V329-A333 PolarHBondContact O-N 3.46Å; R330-A333 PolarHBondContact O-N 2.88Å; A333-I337 WeakPolarHBondContact O-CD1 3.38Å; A333-I337 WeakPolarHBondContact O-CG1 3.08Å
334M51.6Low61.1Low135 Ų135107.1 Ų107.167%0.66557%0.571SS**Hα-helixtrans-85.9-16.6174.4-61.7-139.9-60.700114.3R330 P331 Q332R330-M334 WeakPolarHBondContact O-CG 3.27Å; R330-M334 PolarHBondContact O-N 3.29Å; P331-M334 PolarHBondContact O-N 3.3Å; Q332-M334 VanDerWaalsContact C-N 3.25Å; Q332-M334 PolarHBondContact O-N 3.47Å
335R54.7Low59.8Low204 Ų204108.2 Ų108.277%0.7758%0.584SS**Hα-helixtrans-77.2-25.2177.9-170.7172.3-175.7153.21.8113.1P331 Q332 I337P331-R335 WeakPolarHBondContact O-CB 3.5Å; P331-R335 PolarHBondContact O-N 3Å; Q332-R335 PolarHBondContact O-N 3.02Å; Q332-R335 VanDerWaalsContact O-N 3.12Å; R335-I337 VanDerWaalsContact C-N 3.29Å; R335-I337 PolarHBondContact O-N 3.46Å
336N48.9Very low58.2Low147 Ų147111 Ų11179%0.78659%0.592SS**THydrogen-bonded Turntrans-87.59.5176.4-77.418.7000113.8Q332Q332-N336 PolarHBondContact O-N 3.37Å
337I56Low56.8Low66 Ų66109.1 Ų109.134%0.33859%0.586SS.*SBendtrans-102.4116.8179.9-60.4179000109.1A333 R335 T341A333-I337 WeakPolarHBondContact O-CD1 3.38Å; A333-I337 WeakPolarHBondContact O-CG1 3.08Å; R335-I337 VanDerWaalsContact C-N 3.29Å; R335-I337 PolarHBondContact O-N 3.46Å; I337-T341 WeakPolarHBondContact CG2-OG1 3.49Å
338N51.2Low55.6Low126 Ų126109 Ų10967%0.67459%0.592SS**  trans-56133.6175.2-118.7-46.2000110.2S340 T341N338-S340 PolarHBondContact O-N 3.33Å; N338-T341 PolarHBondContact O-N 2.93Å; N338-T341 PolarHBondContact O-OG1 3Å
339P54.6Low54.8Low110 Ų110109.1 Ų109.171%0.71459%0.592SS**G310 helixtrans-61.3-16.1-169.221.9-33.3000114.8T341P339-T341 VanDerWaalsContact C-N 3.26Å; P339-T341 PolarHBondContact O-N 3.27Å
340S51.9Low54.4Low117 Ų117111 Ų11182%0.81860%0.599SS**G310 helixtrans-71-10.3174-55.20000115.3N338N338-S340 PolarHBondContact O-N 3.33Å
341T54.2Low54.3Low71 Ų71107.8 Ų107.844%0.43660%0.6SS.*G310 helixtrans-109.66.2-177.457.40000114.7I337 N338 P339 N343 S344I337-T341 WeakPolarHBondContact CG2-OG1 3.49Å; N338-T341 PolarHBondContact O-N 2.93Å; N338-T341 PolarHBondContact O-OG1 3Å; P339-T341 VanDerWaalsContact C-N 3.26Å; P339-T341 PolarHBondContact O-N 3.27Å; T341-N343 PolarHBondContact O-N 3.48Å; T341-S344 WeakPolarHBondContact O-CB 3.33Å; T341-S344 PolarHBondContact O-N 3.47Å
342A47.9Very low54.3Low77 Ų77109.9 Ų109.964%0.63661%0.606SS**THydrogen-bonded Turntrans-62-13-178.500000115.2
343N51Low54.2Low167 Ų167113.7 Ų113.789%0.89362%0.616SS**THydrogen-bonded Turntrans-99.715.2173.5-75.5-60.2000113.7T341T341-N343 PolarHBondContact O-N 3.48Å
344S52Low54.2Low49 Ų49114 Ų11434%0.34362%0.615SS.*  trans-75.7123.7175.5-175.30000111T341 K346 C347T341-S344 WeakPolarHBondContact O-CB 3.33Å; T341-S344 PolarHBondContact O-N 3.47Å; S344-K346 PolarHBondContact O-N 3.28Å; S344-C347 PolarHBondContact O-N 3.08Å
345P57.8Low54Low102 Ų102114.8 Ų114.866%0.66262%0.616SS**Hα-helixtrans-60-24.2-177.723.2-33.4000112.9C347 Q348 E349P345-C347 VanDerWaalsContact C-N 3.28Å; P345-C347 PolarHBondContact O-N 3.22Å; P345-Q348 PolarHBondContact O-N 3.02Å; P345-Q348 VanDerWaalsContact O-N 3.11Å; P345-E349 PolarHBondContact O-N 2.93Å
346K53.3Low53.4Low154 Ų154111.9 Ų111.967%0.6762%0.615SS**Hα-helixtrans-62.5-30.7177.8-154.8170.2-172174.80113.2S344 L350S344-K346 PolarHBondContact O-N 3.28Å; K346-L350 PolarHBondContact O-N 2.96Å
347C52.1Low53Low51 Ų51110.7 Ų110.735%0.34562%0.616SS.*Hα-helixtrans-75.7-34.1174.6-66.10000111.9S344 P345 A351S344-C347 PolarHBondContact O-N 3.08Å; P345-C347 VanDerWaalsContact C-N 3.28Å; P345-C347 PolarHBondContact O-N 3.22Å; C347-A351 PolarHBondContact O-N 3.34Å
348Q56.4Low52.2Low140 Ų140113.8 Ų113.865%0.65464%0.638SS**Hα-helixtrans-74.1-36.6177.6-159.513446.200111.6P345 A351 L352P345-Q348 PolarHBondContact O-N 3.02Å; P345-Q348 VanDerWaalsContact O-N 3.11Å; Q348-A351 PolarHBondContact O-N 2.86Å; Q348-L352 WeakPolarHBondContact O-CG 3.18Å; Q348-L352 PolarHBondContact O-N 3.47Å
349E56.6Low51.9Low117 Ų117115.4 Ų115.455%0.54765%0.645SS.*Hα-helixtrans-59.5-45.3173.5-167.3-170.9132.400112.1P345 A351 L352 R353P345-E349 PolarHBondContact O-N 2.93Å; E349-A351 VanDerWaalsContact C-N 3.29Å; E349-A351 PolarHBondContact O-N 2.88Å; E349-L352 PolarHBondContact O-N 3.48Å; E349-R353 VanDerWaalsContact O-CB 3.25Å; E349-R353 WeakPolarHBondContact O-CB 3.49Å; E349-R353 PolarHBondContact O-N 3.01Å
350L59.5Low51.1Low121 Ų121119.3 Ų119.363%0.63465%0.654SS**Hα-helixtrans-61.1-35.2175.7-78.5162.7000112.8K346 S354K346-L350 PolarHBondContact O-N 2.96Å; L350-S354 PolarHBondContact O-N 2.74Å
351A60.3Low50.2Low59 Ų59122.6 Ų122.649%0.48866%0.657SS.*Hα-helixtrans-72.4-39.6176.300000112.6C347 Q348 E349C347-A351 PolarHBondContact O-N 3.34Å; Q348-A351 PolarHBondContact O-N 2.86Å; E349-A351 VanDerWaalsContact C-N 3.29Å; E349-A351 PolarHBondContact O-N 2.88Å
352L59.6Low49.3Very low114 Ų114126.9 Ų126.960%0.59768%0.677SS**Hα-helixtrans-71.1-39.8177.7-67.5173000111.9Q348 E349 S354 Q355Q348-L352 WeakPolarHBondContact O-CG 3.18Å; Q348-L352 PolarHBondContact O-N 3.47Å; E349-L352 PolarHBondContact O-N 3.48Å; L352-S354 PolarHBondContact O-N 2.9Å; L352-Q355 PolarHBondContact O-N 3.28Å
353R52.7Low48.5Very low198 Ų198126.8 Ų126.875%0.74768%0.683SS**Hα-helixtrans-65.8-20.5177.7-173.3171167.9161-2.6113.5E349 Q355E349-R353 VanDerWaalsContact O-CB 3.25Å; E349-R353 WeakPolarHBondContact O-CB 3.49Å; E349-R353 PolarHBondContact O-N 3.01Å; R353-Q355 VanDerWaalsContact C-N 3.31Å; R353-Q355 PolarHBondContact O-N 3.44Å
354S55.9Low47.5Very low70 Ų70122.2 Ų122.249%0.4968%0.676SS.*THydrogen-bonded Turntrans-79-5.4175.7-1760000114.5L350 L352L350-S354 PolarHBondContact O-N 2.74Å; L352-S354 PolarHBondContact O-N 2.9Å
355Q47.8Very low46.7Very low150 Ų150126 Ų12670%0.70170%0.697SS**THydrogen-bonded Turntrans-105.3-2-173.5-69-17194.900114.9L352 R353L352-Q355 PolarHBondContact O-N 3.28Å; R353-Q355 VanDerWaalsContact C-N 3.31Å; R353-Q355 PolarHBondContact O-N 3.44Å
356L42Very low45.5Very low144 Ų144130.2 Ų130.275%0.75471%0.708SS**SBendtrans-88.5134.5174.8-125.474.7000111.1T358L356-T358 PolarHBondContact O-N 2.89Å
357P39.9Very low44.3Very low122 Ų122130.2 Ų130.279%0.79272%0.715SS**  trans-68.8117.1169.2-13.328.1000109.8L359P357-L359 PolarHBondContact O-N 3.34Å
358T39.2Very low43.7Very low130 Ų130133.2 Ų133.280%0.79873%0.734SS**  trans-73.3109.4170.9-43.30000109L356 E360L356-T358 PolarHBondContact O-N 2.89Å; T358-E360 PolarHBondContact O-N 3.2Å
359L44.5Very low42.4Very low160 Ų160132.5 Ų132.584%0.83874%0.739SS**  trans-71.3120.2161.6-159.985000106.9P357 Q361P357-L359 PolarHBondContact O-N 3.34Å; L359-Q361 PolarHBondContact O-N 2.93Å
360E38Very low41Very low192 Ų192132 Ų13290%0.89775%0.749SS**  trans-68.6115.5177-68-17697.800109.3T358T358-E360 PolarHBondContact O-N 3.2Å
361Q34.5Very low39.4Very low186 Ų186131.8 Ų131.887%0.86976%0.757SS**  trans-110.5132.8173.4-174170.67.500109.2L359L359-Q361 PolarHBondContact O-N 2.93Å
362D33.7Very low38.7Very low161 Ų161134.4 Ų134.486%0.86177%0.769SS**  trans-59.1146.3-174.1-171-127.9000113.8
363G31.5Very low37.2Very low75 Ų75132.8 Ų132.877%0.77378%0.78SS**  trans-99.297.6-171.600000113.6
364G29.9Very low36.2Very low71 Ų71131 Ų13173%0.73278%0.782SS**  trans-120.9115.3169.500000112.2
365T36.4Very low35Very low130 Ų130132.9 Ų132.980%0.79880%0.795SS**  trans-80125174.1460000112
366Q31.6Very low34.2Very low189 Ų189134.1 Ų134.188%0.88380%0.801SS**  174.4141116.8-91.7173.625.700111.7
367N29.1Very low33.5Very low155 Ų155134.7 Ų134.783%0.82980%0.8SS**  trans-77.9152169.2-99.3-35.4000109.3
368P39Very low33.2Very low114 Ų114134.7 Ų134.774%0.7479%0.792SS**  -151.2151.961.439.4-19.3000119.4
369V28.3Very low32.7Very low124 Ų124138.2 Ų138.275%0.75279%0.791SS**  trans52.9138.513897.20000122.7
370S27.7Very low31.9Very low108 Ų108135.7 Ų135.776%0.75578%0.782SS**  trans79.9127.9157.7-64.50000120.8
371S26.2Very low31.5Very low115 Ų115134.9 Ų134.980%0.80478%0.781SS**  trans-88.2-167.7175.7-44.20000112.1
372P45.3Very low31.3Very low115 Ų115132 Ų13275%0.74778%0.776SS**  -120.8154.6-6833.9-18.7000112
373G27.2Very low31.1Very low79 Ų79129.9 Ų129.981%0.81477%0.769SS**  trans-141.4122.9-174.900000114.7
374M32.8Very low31.1Very low162 Ų162133.1 Ų133.180%0.79877%0.769SS**  trans-72.2165.7-172.6-40.1-58.6168.600115.2
375S31.2Very low31Very low109 Ų109135 Ų13576%0.76277%0.77SS**  trans109.1132.5138.375.40000121.3
376Q30.1Very low30.9Very low176 Ų176134 Ų13482%0.82277%0.769SS**  trans45.6126.9150.7-70.3172.2-5.100120.1
377E28.5Very low31Very low156 Ų156132.2 Ų132.273%0.72977%0.765SS**  cis112141.143.3-166.3-170110.300109.6
378L32Very low32Very low121 Ų121129 Ų12963%0.63475%0.753SS**  trans95.5107.4150.7-140.962.4000120.9
379R29.4Very low32Very low204 Ų204133.1 Ų133.177%0.7776%0.76SS**  trans92.5126.2130.9-102.8-161.1-88.9-177.8-6.2125
380T27.6Very low32.8Very low107 Ų107135.2 Ų135.266%0.65677%0.766SS**  trans50.2109.6136.6470000122.6
381M30.5Very low32.9Very low176 Ų176137.9 Ų137.987%0.86777%0.772SS**  52.5138.6118.1-67.2179.9160.900122.4
382T29.8Very low33.2Very low124 Ų124137.4 Ų137.476%0.76177%0.768SS**  trans101.3145.2141.7-2.40000121.1
383T29.1Very low32.6Very low118 Ų118134.8 Ų134.872%0.72476%0.762SS**  trans84.5103.2159.460.40000121.5
384N31.3Very low33.1Very low143 Ų143136.7 Ų136.777%0.76576%0.758SS**  58.6129119.1-71.9-20.4000122.9
385S27.1Very low33.2Very low109 Ų109138.5 Ų138.576%0.76276%0.758SS**  trans66.4144.4134.369.20000118.2
386S34.5Very low33.7Very low110 Ų110142.4 Ų142.477%0.76976%0.763SS**  cis-158.113824.628.40000111.1
387D33.6Very low34.1Very low151 Ų151139.1 Ų139.181%0.80776%0.76SS**  trans-100.3117.4163.8-174.515.6000108.5
388P51.6Low34.4Very low89 Ų89141.6 Ų141.658%0.57876%0.762SS**  trans-80.8142.9177.132.3-31.8000111.3
389F38.2Very low34.5Very low199 Ų199141.7 Ų141.787%0.87376%0.764SS**  trans115.320.4168.9-57.9-61.4000119
390L44.4Very low34.8Very low169 Ų169138.6 Ų138.689%0.88576%0.758SS**  trans-127.989.5163.1-71.9178.8000114.5
391N31.1Very low35.3Very low164 Ų164138 Ų13888%0.87776%0.758SS**  trans-179.3148.2149.3-125.211.4000107.7
392S33.2Very low35.7Very low104 Ų104135.8 Ų135.873%0.72776%0.755SS**  cis-166.7160.31.5-173.20000107.3
393G30.7Very low35.9Very low61 Ų61137.3 Ų137.363%0.62976%0.758SS**  cis154.7147.9-5.900000113.5
394T38.7Very low36.8Very low118 Ų118137 Ų13772%0.72476%0.761SS**  trans71.6138.8160-340000121.3
395Y35.1Very low37Very low201 Ų201134 Ų13479%0.78876%0.764SS**  trans98.7109.9159.8-67-72.8000119.5
396H40.8Very low37.9Very low191 Ų191137.2 Ų137.288%0.88477%0.772SS**  -171.1135.3106.5-97.1-71.3000111.2
397S39.1Very low37.9Very low107 Ų107136.9 Ų136.975%0.74877%0.769SS**  trans-95.4156.5173-49.90000111.4
398R33.8Very low38.1Very low207 Ų207137.5 Ų137.578%0.78177%0.769SS**  trans136.8147.1161.4-82.6173.772108.615.3110.3E400R398-E400 IonicContact NH2-OE1 3.19Å; R398-E400 PolarHBondContact NH2-OE1 3.37Å
399D34.2Very low37.2Very low124 Ų124137.8 Ų137.866%0.66377%0.773SS**  cis-169.4-177.2-27.5-120.9-64000107.1
400E35.7Very low36.9Very low138 Ų138132.8 Ų132.865%0.64576%0.763SS**  trans30.6117148.772.9-154.9114.700119.4R398R398-E400 IonicContact NH2-OE1 3.19Å; R398-E400 PolarHBondContact NH2-OE1 3.37Å
401S39.6Very low36.6Very low94 Ų94135.2 Ų135.266%0.65776%0.762SS**  175.5132.672.8-66.10000108.8
402T38.4Very low36.7Very low131 Ų131133.1 Ų133.180%0.80476%0.76SS**  31.1122.997.966.60000114.3
403D34.8Very low37.4Very low156 Ų156134.6 Ų134.683%0.83476%0.764SS**  -168.5169.167.1-173.424.9000112
404S46.2Very low38Very low112 Ų112137.2 Ų137.278%0.78377%0.771SS**  trans-93.2171.6-174.2-56.20000113.4
405G37.4Very low38.1Very low80 Ų80142.9 Ų142.983%0.82578%0.779SS**  trans-175.151.1177.700000116.4
406L44.7Very low38.6Very low176 Ų176138.4 Ų138.492%0.92177%0.773SS**  trans-72.6149.9171.1-65.5170.7000111.5
407S34Very low38.8Very low103 Ų103134.8 Ų134.872%0.7277%0.766SS**  136.2106.9125.4-1710000116.3
408M37.9Very low39.1Very low164 Ų164136.7 Ų136.781%0.80877%0.768SS**  34.8135.2126.4-47.1-169.171.400122.1
409S33.5Very low39.7Very low94 Ų94133.5 Ų133.566%0.65777%0.766SS**  112.4116.6114.1-104.50000122.1
410S32.3Very low40.5Very low95 Ų95137 Ų13766%0.66478%0.776SS**  trans80.3117.7131.243.10000124.3
411Y37.6Very low41Very low219 Ų219138.2 Ų138.286%0.85979%0.786SS**  trans60120.3137.2-66.7-67.6000122.5
412S32.5Very low41.2Very low120 Ų120141.3 Ų141.384%0.83980%0.795SS**  -163.3154.4126.1-82.80000112.3
413V47.9Very low41.5Very low135 Ų135140.7 Ų140.782%0.81880%0.796SS**  trans-91.1146.2-169.11730000113.3
414P44.3Very low42.3Very low117 Ų117140 Ų14076%0.7680%0.797SS**  trans-125.4122140.933.8-21.6000110.5
415R39.5Very low42.4Very low236 Ų236142.6 Ų142.689%0.89180%0.802SS**  71.9113.872.6-160.2174.2-165.7123.72.7112.8
416T46.3Very low43Very low108 Ų108147.5 Ų147.566%0.66380%0.804SS**  trans-71.5149.5178.844.70000112.6
417P45.5Very low43.1Very low114 Ų114148 Ų14874%0.7480%0.804SS**  trans-93.9109.7164.232.9-27.2000111.4D419P417-D419 PolarHBondContact O-N 2.87Å; P417-D419 VanDerWaalsContact O-N 3.14Å
418D45.4Very low43.5Very low147 Ų147149.9 Ų149.979%0.78681%0.806SS**  trans-80.271.1173.3-76.2-100.8000111.4
419D47.2Very low43.7Very low141 Ų141148 Ų14875%0.75480%0.804SS**  trans-141.225.8-173.9-120.3-41.7000115.2P417P417-D419 PolarHBondContact O-N 2.87Å; P417-D419 VanDerWaalsContact O-N 3.14Å
420F50Low43.8Very low196 Ų196147.2 Ų147.286%0.8681%0.81SS**SBendtrans-122.36.9179.2-88.8-81.8000115.3
421L46.3Very low43.9Very low164 Ų164149.7 Ų149.786%0.85982%0.816SS**  trans-119.855.1-174.5-62.8179.6000112.9
422N42.9Very low43.7Very low159 Ų159144.9 Ų144.985%0.8581%0.81SS**SBendtrans-144.531.3177.1-100.3-44.9000114.1
423S45.2Very low43.9Very low119 Ų119146.3 Ų146.383%0.83281%0.806SS**SBendtrans-152.834.3175.2-69.20000114.7
424V51.5Low43.1Very low141 Ų141146.5 Ų146.586%0.85580%0.803SS**SBendtrans-135.423.7172.1-1710000111.8
425D49.1Very low42.4Very low166 Ų166148.5 Ų148.589%0.88880%0.802SS**SBendtrans-133.285.5172.9-98.7-71.3000109
426E49.3Very low42Very low183 Ų183142.2 Ų142.286%0.85579%0.794SS**  trans160.481.5151.8-174.4168.7-154.900110.6
427M47.7Very low41.1Very low186 Ų186143.6 Ų143.692%0.91680%0.803SS**  -158.4132.1127.1-149.3149.8-67.200111.7
428D42.5Very low40.5Very low143 Ų143145.4 Ų145.477%0.76581%0.805SS**  trans-89.3156.9-173.3-176.327.7000112.7
429T41.3Very low40.4Very low125 Ų125143.9 Ų143.977%0.76780%0.804SS**  trans-6.6127.8163.1-48.40000118.5
430G35Very low39.5Very low77 Ų77141.6 Ų141.679%0.79480%0.799SS**  trans-172.7120.4167.700000116.1
431D35.9Very low38.6Very low148 Ų148139.5 Ų139.579%0.79179%0.792SS**  trans-81.2176.5179-95-77.3000115.1
432T33Very low37.9Very low118 Ų118138 Ų13872%0.72478%0.78SS**  trans82.7106.8146.837.80000123.8
433I35.7Very low37.3Very low149 Ų149136.4 Ų136.476%0.76477%0.771SS**  trans41.9126.913312.4174.6000125.1
434N32.1Very low36.6Very low140 Ų140141 Ų14175%0.74977%0.771SS**  86.3136.6129-123.1-36.9000124.2
435Q29.7Very low36.1Very low159 Ų159144.3 Ų144.374%0.74377%0.774SS**  trans89.6108138.5-155.8160.7110.800123
436S29.6Very low36Very low104 Ų104141.3 Ų141.373%0.72776%0.763SS**  trans39.1139.6134-470000121.6
437T29.1Very low35.5Very low136 Ų136137.9 Ų137.983%0.83475%0.751SS**  -175.8151.971.2-57.30000113
438L32.9Very low35.2Very low152 Ų152139.9 Ų139.980%0.79675%0.75SS**  trans-63165.1174.2-89.3158000115.1
439P42.6Very low35.3Very low116 Ų116141.5 Ų141.575%0.75376%0.757SS**  -145.4-176.257.829.5-4.2000116.1
440S28.6Very low35.4Very low93 Ų93143.6 Ų143.665%0.6576%0.759SS**  cis-173.1-173.7-28.862.50000110.2
441Q31.1Very low35.8Very low152 Ų152143.7 Ų143.771%0.7175%0.752SS**  trans72.8143.7167.9-62.8-75.275.900118.7
442Q31.6Very low36.1Very low133 Ų133144.3 Ų144.362%0.62175%0.754SS**  cis-165.5151.1-28.2-152.7-175.2-14.400110
443N30Very low36.4Very low124 Ų124144.8 Ų144.866%0.66376%0.759SS**  trans75.3135.5156.3-73.6-47.2000122.8
444R31Very low36.6Very low217 Ų217141.2 Ų141.282%0.81976%0.759SS**  trans84.792.4143.4-161.1165.7-68.41740.3119
445F40.5Very low36.8Very low209 Ų209140.7 Ų140.792%0.91776%0.761SS**  trans-54.7137.8146-71.1-87.9000109.9
446P46.5Very low37.1Very low103 Ų103141 Ų14167%0.66977%0.767SS**  -142.9165.6111.837.4-22.9000115
447D38.6Very low37.5Very low111 Ų111142.9 Ų142.959%0.59478%0.775SS**  trans24.1115.4158.2-64.4-57.5000122.6
448Y41.7Very low37.7Very low228 Ų228143.4 Ų143.489%0.89477%0.772SS**SBendtrans-141.724.9139.8-93.4-72.2000112.8
449L44.2Very low38.1Very low177 Ų177144.7 Ų144.793%0.92778%0.779SS**SBendtrans-107.3-4.6172.3-80.8174.9000114.2A451L449-A451 PolarHBondContact O-N 3.41Å
450E43.8Very low37.7Very low169 Ų169141.5 Ų141.579%0.7977%0.767SS**SBendtrans-99.361.8172.3-164178.4-154.300111.4
451A44Very low37.9Very low80 Ų80143.7 Ų143.766%0.66178%0.777SS**  trans-156.93317500000115.6L449L449-A451 PolarHBondContact O-N 3.41Å
452I42Very low38.4Very low161 Ų161143.9 Ų143.983%0.82678%0.782SS**  trans-128.2113.4162-57.5-176.8000109.1
453P39.6Very low38.7Very low127 Ų127146.7 Ų146.783%0.82580%0.795SS**  trans-79.9137.1178.231-32.9000111.9
454G39.3Very low39.2Very low75 Ų75143.8 Ų143.877%0.77379%0.794SS**  trans113.318.2140.100000120.3
455T35.8Very low39.3Very low128 Ų128142 Ų14279%0.78580%0.801SS**  trans-125.969.6168.258.50000112.8V457T455-V457 PolarHBondContact O-N 2.98Å
456N36.6Very low39.3Very low165 Ų165135.4 Ų135.488%0.88279%0.792SS**  trans-71.5106.7162.1-87.718.3000109.1
457V38.3Very low38.8Very low145 Ų145139.7 Ų139.788%0.87981%0.806SS**  trans-91.898.9157.3-81.40000107.7T455T455-V457 PolarHBondContact O-N 2.98Å
458D32.8Very low38.8Very low147 Ų147140 Ų14079%0.78681%0.808SS**  trans-93.5135.1169.9-167.911.8000109.6
459L41.5Very low38.9Very low178 Ų178137.2 Ų137.293%0.93281%0.806SS**  trans-135.472-175.8-159.389.4000108.8
460G34.1Very low38.6Very low49 Ų49136 Ų13651%0.50580%0.796SS.*  trans-144.7105.7-17200000114.7
461T32.4Very low38.3Very low139 Ų139131.3 Ų131.385%0.85379%0.793SS**  trans53.7108.4142.759.40000121.4
462L42.8Very low38.1Very low156 Ų156135.3 Ų135.382%0.81780%0.798SS**  45.9105.7118.7-166.3120.3000119.8
463E38.1Very low38Very low193 Ų193136.8 Ų136.890%0.90280%0.801SS**  trans171.1149.9143.8-94.4156.5-155.900104.7
464G39.3Very low38Very low63 Ų63139.1 Ų139.165%0.64981%0.806SS**  cis138124.921.400000106.2
465D33.3Very low37.9Very low178 Ų178144 Ų14495%0.95281%0.811SS**  trans68.1139177.2-58.9-49000119.3
466G39.9Very low38.2Very low72 Ų72143.6 Ų143.674%0.74281%0.81SS**  trans-115.4161.5173.200000111.4
467M36.9Very low38.2Very low192 Ų192140.7 Ų140.795%0.94680%0.803SS**  trans-132126.6159.6-89.2-168.7-78.600111.2
468N38.5Very low38.7Very low119 Ų119141 Ų14164%0.63680%0.799SS**  trans-61.8134.4167.3-176.729.9000110.2E470N468-E470 PolarHBondContact ND2-OE1 3.31Å
469I43.3Very low39.5Very low168 Ų168140 Ų14086%0.86279%0.79SS**  trans-143.3125.4154.1-104.1157.2000107.9
470E38.6Very low39.9Very low151 Ų151140 Ų14071%0.70679%0.785SS**  trans-91149.6-171.8-64.3149.4-177.900109.7N468N468-E470 PolarHBondContact ND2-OE1 3.31Å
471G36.8Very low40.3Very low71 Ų71140.7 Ų140.773%0.73279%0.786SS**  trans-179.160.8-170.900000114.9
472E39.5Very low40.9Very low165 Ų165139.2 Ų139.277%0.77177%0.772SS**  trans8.2118.7153.4-38.6-55117.100118.7
473E40Very low41.3Very low191 Ų191134.8 Ų134.889%0.89375%0.754SS**  173.196.9118.5-93.2-175.4176.600114
474L39.6Very low41.8Very low176 Ų176129.7 Ų129.792%0.92174%0.74SS**  trans8.8110.4150.8-59.6169.6000120.6
475M37.5Very low42.4Very low179 Ų179132.1 Ų132.188%0.88274%0.738SS**  trans-137.4138.4139.3-74.7-13776.600110.4
476P41.7Very low43.5Very low118 Ų118129.1 Ų129.177%0.76672%0.721SS**  trans-77.3132.6-176.830.2-33.9000112.5
477S36.7Very low44.1Very low105 Ų105131.4 Ų131.473%0.73472%0.716SS**  trans-70.9131.3176.9-179.70000112.1Q479S477-Q479 VanDerWaalsContact C-N 3.34Å; S477-Q479 VanDerWaalsContact OG-CB 3.3Å; S477-Q479 WeakPolarHBondContact OG-CB 3.47Å; S477-Q479 PolarHBondContact OG-N 3.03Å
478L49.8Very low45Very low152 Ų152127.6 Ų127.680%0.79670%0.699SS**  trans-95.821.4175.5-111.6171.2000112.8
479Q49.9Very low45.8Very low125 Ų125127.4 Ų127.458%0.58470%0.698SS**  trans-89.4-16.5-164.2-166.452.671.200115.8S477S477-Q479 VanDerWaalsContact C-N 3.34Å; S477-Q479 VanDerWaalsContact OG-CB 3.3Å; S477-Q479 WeakPolarHBondContact OG-CB 3.47Å; S477-Q479 PolarHBondContact OG-N 3.03Å
480E48.6Very low46.3Very low178 Ų178125.2 Ų125.283%0.83269%0.686SS**SBendtrans-88.6-17.1-177.1-91.4177.9111.600115L482E480-L482 PolarHBondContact O-N 3.36Å
481A43.5Very low47.1Very low64 Ų64124.9 Ų124.953%0.52968%0.684SS.*SBendtrans-78.2-18-177.100000114.3
482L44.5Very low48Very low107 Ų107125.2 Ų125.256%0.5668%0.675SS**SBendtrans-92.7-18.1-175.2-61.3177.7000113.6E480 I486E480-L482 PolarHBondContact O-N 3.36Å; L482-I486 VanDerWaalsContact O-CD1 3.28Å; L482-I486 WeakPolarHBondContact O-CD1 3.44Å; L482-I486 VanDerWaalsContact O-CG1 3.25Å; L482-I486 WeakPolarHBondContact O-CG1 3.36Å
483S50.3Low48.8Very low63 Ų63122 Ų12244%0.44167%0.666SS.*Hα-helixtrans-73-29-174-54.20000113.5L487S483-L487 WeakPolarHBondContact O-CD1 3.39Å; S483-L487 WeakPolarHBondContact O-CG 3.42Å
484S48.9Very low49.5Very low87 Ų87118.2 Ų118.261%0.60865%0.652SS**Hα-helixtrans-81.5-41.4-173.6-59.80000113.4N488S484-N488 PolarHBondContact O-N 2.8Å
485D52.3Low50.1Low113 Ų113113.2 Ų113.260%0.60464%0.636SS**Hα-helixtrans-69-40.7177.7-73.1-79.2000111.9L487 N488 D489D485-L487 VanDerWaalsContact C-N 3.33Å; D485-L487 PolarHBondContact O-N 2.94Å; D485-N488 PolarHBondContact O-N 3.02Å; D485-D489 PolarHBondContact O-N 3.06Å
486I56.7Low50.8Low115 Ų115108.3 Ų108.359%0.5962%0.624SS**Hα-helixtrans-63.4-36.9-179.1-66.3173000111.9L482 M490L482-I486 VanDerWaalsContact O-CD1 3.28Å; L482-I486 WeakPolarHBondContact O-CD1 3.44Å; L482-I486 VanDerWaalsContact O-CG1 3.25Å; L482-I486 WeakPolarHBondContact O-CG1 3.36Å; I486-M490 PolarHBondContact O-N 2.99Å
487L51.9Low51Low121 Ų121107.9 Ų107.963%0.63462%0.619SS**Hα-helixtrans-73.5-36178-69.8174.8000112.5S483 D485 M490 E491S483-L487 WeakPolarHBondContact O-CD1 3.39Å; S483-L487 WeakPolarHBondContact O-CG 3.42Å; D485-L487 VanDerWaalsContact C-N 3.33Å; D485-L487 PolarHBondContact O-N 2.94Å; L487-M490 PolarHBondContact O-N 2.95Å; L487-E491 PolarHBondContact O-N 3.4Å
488N56.4Low51.8Low112 Ų112111.6 Ų111.660%0.59962%0.622SS**Hα-helixtrans-69-40.2179-169.855.3000112.2S484 D485 M490 E491 S492S484-N488 PolarHBondContact O-N 2.8Å; D485-N488 PolarHBondContact O-N 3.02Å; N488-M490 VanDerWaalsContact C-N 3.33Å; N488-M490 PolarHBondContact O-N 3.04Å; N488-E491 PolarHBondContact O-N 2.91Å; N488-S492 PolarHBondContact O-N 3.11Å
489D55.3Low51.9Low114 Ų114111 Ų11161%0.6162%0.619SS**Hα-helixtrans-65.4-35.2173.3-93.9-7.7000112.2D485 S492 V493D485-D489 PolarHBondContact O-N 3.06Å; D489-S492 WeakPolarHBondContact O-CB 3.39Å; D489-S492 PolarHBondContact O-N 3.38Å; D489-V493 WeakPolarHBondContact O-CG2 3.49Å; D489-V493 PolarHBondContact O-N 3.33Å
490M53.5Low51.6Low123 Ų123110.7 Ų110.761%0.60662%0.621SS**Hα-helixtrans-69.8-34.8179.1-156178.2-170.500112.7I486 L487 N488 L494I486-M490 PolarHBondContact O-N 2.99Å; L487-M490 PolarHBondContact O-N 2.95Å; N488-M490 VanDerWaalsContact C-N 3.33Å; N488-M490 PolarHBondContact O-N 3.04Å; M490-L494 WeakPolarHBondContact O-CG 3.25Å; M490-L494 PolarHBondContact O-N 3.36Å; M490-L494 VanDerWaalsContact O-N 3.11Å
491E56Low51.4Low143 Ų143112 Ų11267%0.66862%0.624SS**Hα-helixtrans-66.3-38.9172.5-169.3171.9161.200111.5L487 N488 L494 A495L487-E491 PolarHBondContact O-N 3.4Å; N488-E491 PolarHBondContact O-N 2.91Å; E491-L494 PolarHBondContact O-N 3.42Å; E491-A495 WeakPolarHBondContact O-CB 3.39Å; E491-A495 PolarHBondContact O-N 3.25Å
492S54.9Low51.5Low78 Ų78117.7 Ų117.755%0.54564%0.64SS.*Hα-helixtrans-62.8-43.3176.3-165.40000112.6N488 D489 A495 A496N488-S492 PolarHBondContact O-N 3.11Å; D489-S492 WeakPolarHBondContact O-CB 3.39Å; D489-S492 PolarHBondContact O-N 3.38Å; S492-A495 PolarHBondContact O-N 3.49Å; S492-A496 PolarHBondContact O-N 3.47Å; S492-A496 VanDerWaalsContact O-N 3.08Å
493V57.1Low51.3Low98 Ų98117.8 Ų117.859%0.59465%0.65SS**Hα-helixtrans-64.8-40.91751740000111.5D489 A496D489-V493 WeakPolarHBondContact O-CG2 3.49Å; D489-V493 PolarHBondContact O-N 3.33Å; V493-A496 PolarHBondContact O-N 3.22Å
494L54Low50.9Low111 Ų111123.7 Ų123.758%0.58167%0.668SS**Hα-helixtrans-68.1-39.3178-74.6166.7000112.1M490 E491 A496 T497M490-L494 WeakPolarHBondContact O-CG 3.25Å; M490-L494 PolarHBondContact O-N 3.36Å; M490-L494 VanDerWaalsContact O-N 3.11Å; E491-L494 PolarHBondContact O-N 3.42Å; L494-A496 VanDerWaalsContact C-N 3.32Å; L494-A496 PolarHBondContact O-N 2.87Å; L494-T497 PolarHBondContact O-N 3.2Å; L494-T497 PolarHBondContact O-OG1 3.26Å
495A51.7Low50.6Low71 Ų71127.1 Ų127.159%0.58768%0.678SS**Hα-helixtrans-62.2-37.5174.100000112.5E491 S492 T497 K498E491-A495 WeakPolarHBondContact O-CB 3.39Å; E491-A495 PolarHBondContact O-N 3.25Å; S492-A495 PolarHBondContact O-N 3.49Å; A495-T497 PolarHBondContact O-N 3.01Å; A495-K498 PolarHBondContact O-N 3.19Å
496A52.2Low50.2Low77 Ų77127.1 Ų127.164%0.63668%0.683SS**Hα-helixtrans-66.2-18.2178.700000114.2S492 V493 L494 K498S492-A496 PolarHBondContact O-N 3.47Å; S492-A496 VanDerWaalsContact O-N 3.08Å; V493-A496 PolarHBondContact O-N 3.22Å; L494-A496 VanDerWaalsContact C-N 3.32Å; L494-A496 PolarHBondContact O-N 2.87Å; A496-K498 VanDerWaalsContact C-N 3.27Å; A496-K498 PolarHBondContact O-N 3.28Å
497T47.3Very low49.4Very low108 Ų108133.3 Ų133.366%0.66370%0.699SS**THydrogen-bonded Turntrans-82.12.817864.80000114.7L494 A495L494-T497 PolarHBondContact O-N 3.2Å; L494-T497 PolarHBondContact O-OG1 3.26Å; A495-T497 PolarHBondContact O-N 3.01Å
498K52.1Low48.8Very low183 Ų183138.7 Ų138.780%0.79673%0.727SS**THydrogen-bonded Turntrans-106.618.8-171.1-131.6171.5-173.9-67.50115.7A495 A496A495-K498 PolarHBondContact O-N 3.19Å; A496-K498 VanDerWaalsContact C-N 3.27Å; A496-K498 PolarHBondContact O-N 3.28Å
499L51.8Low48.5Very low140 Ų140140.1 Ų140.173%0.73373%0.733SS**SBendtrans-141.7136.6155.3-77.8117.1000105.3
500D45Very low48.1Very low119 Ų119141.4 Ų141.464%0.63674%0.74SS**  cis-132.2137.715.7-66-78.2000111.3
501K43.6Very low47.8Very low205 Ų205142.4 Ų142.489%0.89175%0.747SS**SBendtrans-107.412.5174.3-99.5-173176.2-174.90114.2
502E45.4Very low47.3Very low184 Ų184142.4 Ų142.486%0.8675%0.752SS**SBendtrans-121.6-2.8-162.9-52.7-165.5178.700115
503S41.8Very low46.9Very low109 Ų109146.4 Ų146.476%0.76277%0.765SS**  trans-97.89.7-179.9-79.10000115.6L505S503-L505 PolarHBondContact O-N 3.22Å
504F40.4Very low46.2Very low186 Ų186149.7 Ų149.782%0.81678%0.776SS**  trans-92.978.9173.1-69.9-80.8000111.1
505L44Very low45.6Very low160 Ų160152.4 Ų152.484%0.83879%0.79SS**  trans-178149.3157.4-101.5156.8000110.5S503S503-L505 PolarHBondContact O-N 3.22Å
506T43.9Very low45.1Very low113 Ų113158.7 Ų158.769%0.69381%0.806SS**  trans72.7122.9-166.9-24.70000110.4
507W38.9Very low44.6Very low244 Ų244165.5 Ų165.592%0.92482%0.82SS**  cis-128.2144.237.5-68.968.7000114.5
508L40.6Very low44.3Very low235 Ų235170.7 Ų170.7100%1.2384%0.835SS**  trans-86.60153.8-103.8160.2000108.7

Retrieved 508 of 508 residues in 57.2 ms (Link to these results)