A0A3Q0KIQ2_SCHMA Loading...

Mediator of RNA polymerase II transcription subunit 13

AlphaFold DB , UniProt , Accession A0A3Q0KIQ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 258 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.6Very low35.2Very low242 Ų242147.8 Ų147.8100%1.19287%0.865SS**  0122.10-68.4172-158.600106.4
2V34.1Very low35.2Very low149 Ų149148.2 Ų148.290%0.90387%0.869SS**  trans-119.9113.6169.7174.80000104.9
3E41.8Very low35.3Very low172 Ų172141.8 Ų141.880%0.80485%0.854SS**  trans-152.8144.1168.3-68.1-176.6174.800103.7
4D38.9Very low35.4Very low149 Ų149147.9 Ų147.980%0.79785%0.854SS**  cis-159.7154.3-12.4-112.9-30.8000107.4
5N31.3Very low35.4Very low150 Ų150148.7 Ų148.780%0.80285%0.847SS**  trans-85.6130.5170.3-80.1-65.1000110.7
6Q38.3Very low35.4Very low205 Ų205152.6 Ų152.696%0.95885%0.846SS**  trans171138.6148.1-100.6164.483.200106.6
7G30.3Very low35.6Very low63 Ų63154.8 Ų154.865%0.64985%0.845SS**  cis155.6123.914.400000105.9
8F30.8Very low35.7Very low221 Ų221149.4 Ų149.497%0.96983%0.832SS**  trans19.5108.6151.6-68.7-92.4000119.2
9G33.6Very low35.9Very low80 Ų80149.8 Ų149.883%0.82583%0.832SS**  trans-121106.2154.900000109.6
10G29.1Very low36.1Very low75 Ų75147.3 Ų147.377%0.77383%0.825SS**  trans-70.1154.1-179.300000114.3
11S39.9Very low36.5Very low120 Ų120145.7 Ų145.784%0.83982%0.819SS**  trans-149.297.8155.1-87.80000109.9G13S11-G13 PolarHBondContact O-N 3.27Å
12V34.7Very low36.8Very low152 Ų152139.5 Ų139.592%0.92179%0.794SS**  trans1785.9143-163.30000116.4
13G36.2Very low37.2Very low65 Ų65139.2 Ų139.267%0.6779%0.788SS**  trans-104.1122.8159.100000109.4S11 Q15S11-G13 PolarHBondContact O-N 3.27Å; G13-Q15 PolarHBondContact O-N 3.09Å
14R37Very low37.5Very low227 Ų227135.1 Ų135.186%0.85778%0.778SS**  trans-51.3117.4179.6-70.9175.3176.6-111.1-0.2110.8Y16R14-Y16 PolarHBondContact O-N 3.17Å; R14-Y16 VanDerWaalsContact O-N 3.09Å
15Q35.6Very low37.8Very low161 Ų161131.1 Ų131.175%0.75276%0.762SS**  trans-68.799.9168.9-70.1176.4-9.800108.3G13 F17G13-Q15 PolarHBondContact O-N 3.09Å; Q15-F17 PolarHBondContact O-N 2.77Å
16Y35.5Very low39Very low210 Ų210131.8 Ų131.882%0.82476%0.758SS**  trans-70.5117.3146.4-68.5-87.7000104.8R14 G18R14-Y16 PolarHBondContact O-N 3.17Å; R14-Y16 VanDerWaalsContact O-N 3.09Å; Y16-G18 PolarHBondContact O-N 3.49Å
17F38.7Very low39.3Very low191 Ų191131.1 Ų131.184%0.83875%0.748SS**  trans-65.285.6164.5-78.2-85.8000106.3Q15 D19Q15-F17 PolarHBondContact O-N 2.77Å; F17-D19 PolarHBondContact O-N 3.12Å
18G37.9Very low40.1Very low58 Ų58132.4 Ų132.460%0.59875%0.747SS**  trans-67.1125.9172.600000108.4Y16 S20Y16-G18 PolarHBondContact O-N 3.49Å; G18-S20 PolarHBondContact O-N 2.79Å
19D38.2Very low40.9Very low156 Ų156127.3 Ų127.383%0.83473%0.73SS**  trans11.179.8140.5-58.4-28.2000113.9F17 V21F17-D19 PolarHBondContact O-N 3.12Å; D19-V21 PolarHBondContact O-N 2.95Å
20S41.2Very low41.4Very low99 Ų99128.7 Ų128.769%0.69272%0.719SS**  trans-71.596.4155.666.70000105.1G18 V22G18-S20 PolarHBondContact O-N 2.79Å; S20-V22 PolarHBondContact O-N 3.46Å
21V43.5Very low42.3Very low115 Ų115132.3 Ų132.370%0.69772%0.718SS**  trans-56.788.8155.7-179.30000104.9D19 D23D19-V21 PolarHBondContact O-N 2.95Å; V21-D23 PolarHBondContact O-N 3.24Å
22V46.7Very low42.9Very low112 Ų112135.9 Ų135.968%0.67972%0.719SS**  trans-67.597.7163.7-177.60000102.5S20 S24S20-V22 PolarHBondContact O-N 3.46Å; V22-S24 PolarHBondContact O-N 2.91Å
23D42.3Very low43.7Very low142 Ų142133 Ų13376%0.75970%0.701SS**  trans-52.991.2163.2-81.3-30.4000106.2V21 S25V21-D23 PolarHBondContact O-N 3.24Å; D23-S25 VanDerWaalsContact C-N 3.33Å; D23-S25 PolarHBondContact O-N 3.18Å
24S48.1Very low43.9Very low87 Ų87135.3 Ų135.361%0.60870%0.699SS**  trans-6697.7-179.1170.20000106.6V22 F26V22-S24 PolarHBondContact O-N 2.91Å; S24-F26 PolarHBondContact O-N 3.38Å; S24-F26 WeakPolarHBondContact OG-CB 3.39Å
25S46Very low44.4Very low65 Ų65129.6 Ų129.646%0.45569%0.689SS.*G310 helixtrans-66.915.7174.963.30000113.1D23 Y27 S28D23-S25 VanDerWaalsContact C-N 3.33Å; D23-S25 PolarHBondContact O-N 3.18Å; S25-Y27 PolarHBondContact O-N 3.02Å; S25-S28 PolarHBondContact O-N 3.12Å
26F54.8Low45Very low163 Ų163130.1 Ų130.172%0.71569%0.689SS**G310 helixtrans-51.6-28177.5-167.2-95.4000112.8S24S24-F26 PolarHBondContact O-N 3.38Å; S24-F26 WeakPolarHBondContact OG-CB 3.39Å
27Y46.2Very low45.3Very low191 Ų191125 Ų12575%0.74968%0.676SS**G310 helixtrans-104.3-10177-68.5-75.6000115.1S25S25-Y27 PolarHBondContact O-N 3.02Å
28S47.1Very low45.8Very low91 Ų91125.3 Ų125.364%0.63668%0.677SS**THydrogen-bonded Turntrans-94.4-23.3-167.2-58.70000114.3S25 N30S25-S28 PolarHBondContact O-N 3.12Å; S28-N30 PolarHBondContact O-N 2.99Å
29D46.6Very low46.1Very low113 Ų113129.4 Ų129.460%0.60468%0.682SS**SBendtrans-97.994.4-176.9-69.4-27.9000111.9
30N43.6Very low46.4Very low110 Ų110125.9 Ų125.959%0.58868%0.683SS**  trans52.274.7154.3-69.9-43.1000116.2S28 K32 T33S28-N30 PolarHBondContact O-N 2.99Å; N30-K32 PolarHBondContact O-N 3.29Å; N30-T33 PolarHBondContact O-N 3.25Å; N30-T33 PolarHBondContact O-OG1 2.96Å
31I49Very low46.4Very low150 Ų150128.6 Ų128.677%0.76969%0.685SS**THydrogen-bonded Turntrans-49-20.7166.6-50.8160.8000112.3
32K52.9Low46.3Very low196 Ų196131.3 Ų131.385%0.85270%0.695SS**THydrogen-bonded Turntrans-75.5-19.2178.5-67.7-177.1-179.91790115.2N30N30-K32 PolarHBondContact O-N 3.29Å
33T51.4Low46.2Very low90 Ų90133.6 Ų133.655%0.55270%0.695SS**THydrogen-bonded Turntrans-105.6-5.4-177.948.40000114.2N30 V35N30-T33 PolarHBondContact O-N 3.25Å; N30-T33 PolarHBondContact O-OG1 2.96Å; T33-V35 PolarHBondContact O-N 2.98Å
34N40.1Very low46.2Very low114 Ų114131.9 Ų131.961%0.6169%0.692SS**  trans-83.761172.3-69.3-9.4000110.1F36N34-F36 VanDerWaalsContact C-N 3.33Å; N34-F36 PolarHBondContact O-N 3.48Å; N34-F36 VanDerWaalsContact O-N 3.09Å
35V46.5Very low45.5Very low108 Ų108134 Ų13466%0.65570%0.697SS**  trans-66.6104.2153.9179.10000104.9T33 N37T33-V35 PolarHBondContact O-N 2.98Å; V35-N37 PolarHBondContact O-N 2.73Å
36F49Very low45.3Very low171 Ų171137.9 Ų137.975%0.7571%0.711SS**  trans-56.2102170.3-102.2-100.6000107.9N34 F38N34-F36 VanDerWaalsContact C-N 3.33Å; N34-F36 PolarHBondContact O-N 3.48Å; N34-F36 VanDerWaalsContact O-N 3.09Å; F36-F38 PolarHBondContact O-N 2.94Å; F36-F38 VanDerWaalsContact O-N 3.15Å
37N42.6Very low44.3Very low104 Ų104137.8 Ų137.856%0.55671%0.712SS**  trans-72.3105.7166.7-85.3-1.1000107.1V35 M39V35-N37 PolarHBondContact O-N 2.73Å; N37-M39 PolarHBondContact O-N 2.91Å
38F48.9Very low43.6Very low196 Ų196131.9 Ų131.986%0.8671%0.709SS**SBendtrans-71-19.3175.1-101.8-90.2000113.1F36F36-F38 PolarHBondContact O-N 2.94Å; F36-F38 VanDerWaalsContact O-N 3.15Å
39M44.6Very low43Very low144 Ų144134.8 Ų134.871%0.70972%0.716SS**SBendtrans-84.2111.4165.7-77.6151.756.900106.9N37 E41N37-M39 PolarHBondContact O-N 2.91Å; M39-E41 PolarHBondContact O-N 2.81Å
40G44.1Very low42.3Very low83 Ų83134.3 Ų134.386%0.85672%0.722SS**  trans-65.445.9179.700000114.3
41E39.7Very low41.7Very low156 Ų156135.5 Ų135.573%0.72973%0.728SS**  trans-82.4116.4170.9-64.7-122.4161.300108.6M39 K43M39-E41 PolarHBondContact O-N 2.81Å; E41-K43 PolarHBondContact O-N 2.91Å
42L43.4Very low41.2Very low172 Ų172134.5 Ų134.590%0.90173%0.731SS**  trans-51.2110.7174-69.9161.1000109.1P44L42-P44 WeakPolarHBondContact O-CD 3.09Å; L42-P44 VanDerWaalsContact O-N 3.15Å
43K44.2Very low40.4Very low159 Ų159131.4 Ų131.469%0.69173%0.728SS**  trans-52.6123.4172.2-95.1-176.8175172.10108.6E41 N45E41-K43 PolarHBondContact O-N 2.91Å; K43-N45 PolarHBondContact O-N 2.92Å
44P41.8Very low39.5Very low107 Ų107135.6 Ų135.670%0.69574%0.739SS**  trans-64.8135.2174.624.4-30.2000109L42 I46L42-P44 WeakPolarHBondContact O-CD 3.09Å; L42-P44 VanDerWaalsContact O-N 3.15Å; P44-I46 PolarHBondContact O-N 2.71Å
45N32.9Very low39.5Very low132 Ų132135.2 Ų135.271%0.70674%0.743SS**  trans-64.588.9178.4-173.71.4000109.8K43 H47K43-N45 PolarHBondContact O-N 2.92Å; N45-H47 PolarHBondContact O-N 2.86Å; N45-H47 PolarHBondContact OD1-ND1 2.87Å
46I41.3Very low39.1Very low145 Ų145135.6 Ų135.674%0.74475%0.748SS**  trans-77.874.8172.3-50.1168.9000107.6P44 G48P44-I46 PolarHBondContact O-N 2.71Å; I46-G48 PolarHBondContact O-N 2.91Å
47H34.5Very low38.5Very low162 Ų162136.1 Ų136.175%0.7575%0.752SS**  trans-65.8105.9155.8-9861.4000107.9N45N45-H47 PolarHBondContact O-N 2.86Å; N45-H47 PolarHBondContact OD1-ND1 2.87Å
48G31.8Very low38.4Very low66 Ų66137 Ų13768%0.6876%0.762SS**  trans77.788.4151.900000116.7I46I46-G48 PolarHBondContact O-N 2.91Å
49I34.5Very low38Very low153 Ų153132.2 Ų132.279%0.78575%0.752SS**  -140.798.8129.8-40.6171.8000107.6N51I49-N51 PolarHBondContact O-N 3.24Å
50S30.9Very low37.9Very low103 Ų103134.1 Ų134.172%0.7276%0.759SS**  trans-54.7114.9160.150.70000109.5
51N31.1Very low37.8Very low134 Ų134138.8 Ų138.872%0.71776%0.756SS**  trans-165.4116.7137.1-90.7-35.9000108.1I49 V53I49-N51 PolarHBondContact O-N 3.24Å; N51-V53 VanDerWaalsContact C-N 3.28Å; N51-V53 PolarHBondContact O-N 3.28Å
52P38.6Very low37.9Very low130 Ų130142.6 Ų142.684%0.84476%0.764SS**  trans-72.587178.130.3-32.5000108.9K54P52-K54 VanDerWaalsContact C-N 3.29Å; P52-K54 PolarHBondContact O-N 2.8Å
53V35.6Very low37.8Very low130 Ų130145.2 Ų145.279%0.78876%0.762SS**  trans-71.596.8163.9-1780000106.1N51 P55N51-V53 VanDerWaalsContact C-N 3.28Å; N51-V53 PolarHBondContact O-N 3.28Å; V53-P55 WeakPolarHBondContact O-CD 2.86Å; V53-P55 VanDerWaalsContact O-N 3.16Å
54K32.5Very low37.9Very low178 Ų178149.2 Ų149.277%0.77477%0.772SS**  trans-45.4118.3172.7-123.9173.2-179.3174.60108.7P52P52-K54 VanDerWaalsContact C-N 3.29Å; P52-K54 PolarHBondContact O-N 2.8Å
55P41.5Very low37.9Very low106 Ų106152.4 Ų152.469%0.68878%0.78SS**  trans-63.1140.4171.9-8.920.1000108.7V53 H57V53-P55 WeakPolarHBondContact O-CD 2.86Å; V53-P55 VanDerWaalsContact O-N 3.16Å; P55-H57 PolarHBondContact O-N 3.49Å
56P37.9Very low38.4Very low117 Ų117150.4 Ų150.476%0.7678%0.776SS**  trans-59.6124.5175.923-30.7000109.6T58P56-T58 VanDerWaalsContact C-N 3.32Å; P56-T58 PolarHBondContact O-N 2.73Å
57H36.3Very low38.8Very low182 Ų182149.2 Ų149.284%0.84378%0.778SS**  trans-6088.4172.9-101.5-79.8000110P55 S59P55-H57 PolarHBondContact O-N 3.49Å; H57-S59 PolarHBondContact O-N 3.11Å
58T39.7Very low39.4Very low123 Ų123146.1 Ų146.176%0.75577%0.77SS**  trans-84.299.8155.851.40000107P56 E60P56-T58 VanDerWaalsContact C-N 3.32Å; P56-T58 PolarHBondContact O-N 2.73Å; T58-E60 PolarHBondContact O-N 3.14Å
59S40.8Very low40.1Very low95 Ų95149.4 Ų149.466%0.66477%0.772SS**  trans-69.185.2167470000108.4H57 K61H57-S59 PolarHBondContact O-N 3.11Å; S59-K61 PolarHBondContact O-N 3.38Å
60E43.3Very low41.1Very low184 Ų184150 Ų15086%0.8678%0.776SS**  trans-6790.7161.4-92.3-169.415000107.8T58 R62T58-E60 PolarHBondContact O-N 3.14Å; E60-R62 VanDerWaalsContact C-N 3.35Å; E60-R62 PolarHBondContact O-N 3.18Å
61K41.2Very low42.3Very low180 Ų180151.5 Ų151.578%0.78378%0.777SS**  trans-53.9105.4162.7-70.2175.8-179.4175.40106.1S59 R63S59-K61 PolarHBondContact O-N 3.38Å; K61-R63 PolarHBondContact O-N 3.14Å
62R42.6Very low43.5Very low236 Ų236148.9 Ų148.989%0.89177%0.765SS**  trans-4792.5167.6-154.1-175.5-52.5124.43.8107.5E60 R64E60-R62 VanDerWaalsContact C-N 3.35Å; E60-R62 PolarHBondContact O-N 3.18Å; R62-R64 PolarHBondContact O-N 2.99Å; R62-R64 VanDerWaalsContact O-N 3.14Å
63R40.8Very low44.5Very low228 Ų228149.4 Ų149.486%0.8676%0.76SS**  trans-59.5122.1169.3-85.3-170.6179.6-177.41.7103.9K61 M65K61-R63 PolarHBondContact O-N 3.14Å; R63-M65 PolarHBondContact O-N 3.11Å
64R45.2Very low45.7Very low242 Ų242148.1 Ų148.191%0.91375%0.754SS**  trans-51110.6169.9-69.8-158.8176.7-167.11106.4R62 S66R62-R64 PolarHBondContact O-N 2.99Å; R62-R64 VanDerWaalsContact O-N 3.14Å; R64-S66 PolarHBondContact O-N 2.6Å
65M43.1Very low47Very low174 Ų174146.2 Ų146.286%0.85775%0.747SS**  trans-62.5112.3168.8-74.6157.58600104.7R63R63-M65 PolarHBondContact O-N 3.11Å
66S43.8Very low48.3Very low90 Ų90149 Ų14963%0.62975%0.749SS**PPolyproline II helixtrans-51.6151.7168.348.10000109.2R64 V68R64-S66 PolarHBondContact O-N 2.6Å; S66-V68 PolarHBondContact O-N 2.81Å
67P49.3Very low49.9Very low120 Ų120152.7 Ų152.778%0.77975%0.749SS**PPolyproline II helixtrans-50.5120.3176.221.1-31.2000108.6L69P67-L69 PolarHBondContact O-N 3.16Å
68V47Very low51.3Low97 Ų97153.4 Ų153.459%0.58875%0.745SS**PPolyproline II helixtrans-58.4121.2-179.4175.80000106.6S66 D70 V72S66-V68 PolarHBondContact O-N 2.81Å; V68-D70 PolarHBondContact O-N 3.02Å; V68-V72 HydrophobicContact CG1-CG2 3.18Å
69L47Very low52.7Low135 Ų135153.5 Ų153.571%0.70774%0.74SS**PPolyproline II helixtrans-58.6138.9174-86.692.4000108.8P67 N71 V72P67-L69 PolarHBondContact O-N 3.16Å; L69-N71 PolarHBondContact O-N 2.88Å; L69-V72 PolarHBondContact O-N 3.25Å
70D55.7Low54.2Low165 Ų165152.6 Ų152.688%0.88273%0.734SS**SBendtrans-609.2179-68.4-38.1000115V68 V72V68-D70 PolarHBondContact O-N 3.02Å; D70-V72 VanDerWaalsContact C-N 3.32Å
71N55.4Low55.6Low136 Ų136151.4 Ų151.473%0.72773%0.728SS**  trans-95.824.6176-64.5-0.2000112.3L69 I73L69-N71 PolarHBondContact O-N 2.88Å; N71-I73 VanDerWaalsContact C-N 3.31Å; N71-I73 PolarHBondContact O-N 3.21Å
72V56.8Low57.2Low79 Ų79147.3 Ų147.348%0.47972%0.718SS.*  trans-68.496.7170.1-174.90000107.6V68 L69 D70 P74V68-V72 HydrophobicContact CG1-CG2 3.18Å; L69-V72 PolarHBondContact O-N 3.25Å; D70-V72 VanDerWaalsContact C-N 3.32Å; V72-P74 WeakPolarHBondContact O-CD 3.43Å; V72-P74 VanDerWaalsContact O-N 3.1Å
73I58.3Low58.7Low141 Ų141138 Ų13872%0.72369%0.692SS**  trans-51.1119.3163.2-59.9169.7000105.3N71 H75N71-I73 VanDerWaalsContact C-N 3.31Å; N71-I73 PolarHBondContact O-N 3.21Å; I73-H75 PolarHBondContact O-N 3.13Å
74P60.8Low60.4Low103 Ų103131.2 Ų131.267%0.66967%0.671SS**  trans-55.3117.2-179.518.3-28.5000107.3V72 K76V72-P74 WeakPolarHBondContact O-CD 3.43Å; V72-P74 VanDerWaalsContact O-N 3.1Å; P74-K76 PolarHBondContact O-N 2.98Å
75H61.2Low61.7Low138 Ų138122.2 Ų122.264%0.63965%0.648SS**  trans-58.1107.2173-75.1-82000105.8I73 Y77I73-H75 PolarHBondContact O-N 3.13Å; H75-Y77 HydrophobicContact CB-CD2 4.29Å; H75-Y77 HydrophobicContact CB-CE2 3.81Å; H75-Y77 WeakPolarHBondContact O-CD2 3.27Å; H75-Y77 PolarHBondContact O-N 2.89Å
76K69Low63.1Low164 Ų164118.2 Ų118.271%0.71363%0.63SS**  trans-67.291.6171.7-66.9-175-173.4-177.10105.6P74 Y78P74-K76 PolarHBondContact O-N 2.98Å; K76-Y78 VanDerWaalsContact C-N 3.32Å; K76-Y78 HydrophobicContact CB-CE2 4.11Å; K76-Y78 WeakPolarHBondContact O-CD2 3.4Å; K76-Y78 PolarHBondContact O-N 2.94Å
77Y70Confident64.6Low194 Ų194119 Ų11976%0.76162%0.624SS**  trans-67.599.7167.4-64.5-81.8000105.9H75 L79H75-Y77 HydrophobicContact CB-CD2 4.29Å; H75-Y77 HydrophobicContact CB-CE2 3.81Å; H75-Y77 WeakPolarHBondContact O-CD2 3.27Å; H75-Y77 PolarHBondContact O-N 2.89Å; Y77-L79 PolarHBondContact O-N 3.18Å
78Y67.3Low65.7Low198 Ų198119.5 Ų119.578%0.77661%0.614SS**  trans-67.9103.6167.5-66.2-83.8000106.4K76 C80K76-Y78 VanDerWaalsContact C-N 3.32Å; K76-Y78 HydrophobicContact CB-CE2 4.11Å; K76-Y78 WeakPolarHBondContact O-CD2 3.4Å; K76-Y78 PolarHBondContact O-N 2.94Å; Y78-C80 PolarHBondContact O-N 3.42Å
79L67.6Low66.8Low124 Ų124118.6 Ų118.665%0.64962%0.616SS**  trans-62.8118.5163.6-79.7137000106.3Y77 M84Y77-L79 PolarHBondContact O-N 3.18Å; L79-M84 HydrophobicContact CB-CG 4.15Å
80C73.8Confident67.9Low77 Ų77119.2 Ų119.252%0.5262%0.616SS.*  trans-61.2142.6174.3610000109Y78 T82 A83 M84Y78-C80 PolarHBondContact O-N 3.42Å; C80-T82 PolarHBondContact O-N 3.16Å; C80-T82 VanDerWaalsContact O-N 3.1Å; C80-A83 WeakPolarHBondContact O-CB 3.42Å; C80-A83 PolarHBondContact O-N 3.04Å; C80-A83 VanDerWaalsContact SG-CB 3.53Å; C80-M84 PolarHBondContact O-N 3.48Å
81E72.6Confident68.5Low158 Ų158114.9 Ų114.974%0.73859%0.591SS**Hα-helixtrans-50.9-38.1180-174.9178.5173.100111.8A83 M84 A85E81-A83 VanDerWaalsContact C-N 3.35Å; E81-A83 PolarHBondContact O-N 3.27Å; E81-M84 WeakPolarHBondContact O-CB 3.48Å; E81-M84 PolarHBondContact O-N 3.24Å; E81-M84 VanDerWaalsContact O-N 3.14Å; E81-A85 WeakPolarHBondContact O-CB 3.15Å; E81-A85 PolarHBondContact O-N 2.91Å
82T73.7Confident68.7Low94 Ų94113.1 Ų113.158%0.57758%0.582SS**Hα-helixtrans-60.5-39.2175.9-42.10000113.2C80 M84 A85 N86C80-T82 PolarHBondContact O-N 3.16Å; C80-T82 VanDerWaalsContact O-N 3.1Å; T82-M84 VanDerWaalsContact C-N 3.33Å; T82-A85 PolarHBondContact O-N 3.37Å; T82-N86 WeakPolarHBondContact O-CB 3.3Å; T82-N86 PolarHBondContact O-N 2.77Å
83A74.3Confident69Low41 Ų41116.1 Ų116.134%0.33959%0.594SS.*Hα-helixtrans-67.2-37.5176.300000111.3C80 E81 H87C80-A83 WeakPolarHBondContact O-CB 3.42Å; C80-A83 PolarHBondContact O-N 3.04Å; C80-A83 VanDerWaalsContact SG-CB 3.53Å; E81-A83 VanDerWaalsContact C-N 3.35Å; E81-A83 PolarHBondContact O-N 3.27Å; A83-H87 WeakPolarHBondContact O-CB 3.48Å; A83-H87 PolarHBondContact O-N 2.83Å
84M76.9Confident69.1Low86 Ų86113.7 Ų113.742%0.42459%0.586SS.*Hα-helixtrans-68-47.1175-64-168-64.700111.4L79 C80 E81 T82 N86 H87 F88L79-M84 HydrophobicContact CB-CG 4.15Å; C80-M84 PolarHBondContact O-N 3.48Å; E81-M84 WeakPolarHBondContact O-CB 3.48Å; E81-M84 PolarHBondContact O-N 3.24Å; E81-M84 VanDerWaalsContact O-N 3.14Å; T82-M84 VanDerWaalsContact C-N 3.33Å; M84-N86 VanDerWaalsContact C-N 3.33Å; M84-N86 PolarHBondContact O-N 3.44Å; M84-H87 WeakPolarHBondContact O-CB 3.17Å; M84-H87 PolarHBondContact O-N 2.71Å; M84-H87 VanDerWaalsContact O-N 3.13Å; M84-F88 HydrophobicContact CB-CE2 4.4Å; M84-F88 WeakPolarHBondContact O-CD2 3.47Å; M84-F88 PolarHBondContact O-N 2.74Å
85A72.5Confident68.8Low53 Ų53116.1 Ų116.144%0.43859%0.593SS.*Hα-helixtrans-59-43.8178.200000111.6E81 T82 F88 A89E81-A85 WeakPolarHBondContact O-CB 3.15Å; E81-A85 PolarHBondContact O-N 2.91Å; T82-A85 PolarHBondContact O-N 3.37Å; A85-F88 PolarHBondContact O-N 3.05Å; A85-A89 VanDerWaalsContact O-CB 3.28Å; A85-A89 WeakPolarHBondContact O-CB 3.33Å; A85-A89 PolarHBondContact O-N 3.03Å
86N72.1Confident68.5Low90 Ų90114.7 Ų114.748%0.48160%0.596SS.*Hα-helixtrans-65-39.1174.9-79.7-15000112.5T82 M84 A89 Q90T82-N86 WeakPolarHBondContact O-CB 3.3Å; T82-N86 PolarHBondContact O-N 2.77Å; M84-N86 VanDerWaalsContact C-N 3.33Å; M84-N86 PolarHBondContact O-N 3.44Å; N86-A89 PolarHBondContact O-N 3.43Å; N86-Q90 WeakPolarHBondContact O-CB 3.45Å; N86-Q90 VanDerWaalsContact O-CG 3.23Å; N86-Q90 WeakPolarHBondContact O-CG 3.39Å; N86-Q90 PolarHBondContact O-N 2.82Å
87H75Confident68Low107 Ų107112.3 Ų112.350%0.49560%0.595SS.*Hα-helixtrans-60.4-47.5175.1-177.366.1000111.1A83 M84 Q90 M91A83-H87 WeakPolarHBondContact O-CB 3.48Å; A83-H87 PolarHBondContact O-N 2.83Å; M84-H87 WeakPolarHBondContact O-CB 3.17Å; M84-H87 PolarHBondContact O-N 2.71Å; M84-H87 VanDerWaalsContact O-N 3.13Å; H87-Q90 PolarHBondContact O-N 3.44Å; H87-M91 WeakPolarHBondContact O-CG 3.23Å; H87-M91 PolarHBondContact O-N 2.94Å
88F72.5Confident67Low130 Ų130108.6 Ų108.657%0.5759%0.588SS**Hα-helixtrans-70.6-33.7178.4-69.2-65000113.6M84 A85 Q90 M91M84-F88 HydrophobicContact CB-CE2 4.4Å; M84-F88 WeakPolarHBondContact O-CD2 3.47Å; M84-F88 PolarHBondContact O-N 2.74Å; A85-F88 PolarHBondContact O-N 3.05Å; F88-Q90 VanDerWaalsContact C-N 3.3Å; F88-Q90 PolarHBondContact O-N 3.16Å; F88-M91 WeakPolarHBondContact O-CB 3.46Å; F88-M91 PolarHBondContact O-N 2.83Å; F88-M91 VanDerWaalsContact O-O 3.07Å
89A70.5Confident66.4Low77 Ų77103.1 Ų103.164%0.63658%0.584SS**Hα-helixtrans-67.7-31.1175.200000112.5A85 N86 M91A85-A89 VanDerWaalsContact O-CB 3.28Å; A85-A89 WeakPolarHBondContact O-CB 3.33Å; A85-A89 PolarHBondContact O-N 3.03Å; N86-A89 PolarHBondContact O-N 3.43Å; A89-M91 VanDerWaalsContact C-N 3.31Å
90Q69.6Low65.7Low148 Ų148101.4 Ų101.469%0.69258%0.582SS**Hα-helixtrans-73.9-24.4172.5-71.7171.322.800112.6N86 H87 F88 N92N86-Q90 WeakPolarHBondContact O-CB 3.45Å; N86-Q90 VanDerWaalsContact O-CG 3.23Å; N86-Q90 WeakPolarHBondContact O-CG 3.39Å; N86-Q90 PolarHBondContact O-N 2.82Å; H87-Q90 PolarHBondContact O-N 3.44Å; F88-Q90 VanDerWaalsContact C-N 3.3Å; F88-Q90 PolarHBondContact O-N 3.16Å; Q90-N92 PolarHBondContact O-N 3.4Å
91M69.5Low64.5Low75 Ų75106.2 Ų106.237%0.36959%0.594SS.*SBendtrans-72.2100.1169.5-61.9-68-7600107.1H87 F88 A89 L93 L196H87-M91 WeakPolarHBondContact O-CG 3.23Å; H87-M91 PolarHBondContact O-N 2.94Å; F88-M91 WeakPolarHBondContact O-CB 3.46Å; F88-M91 PolarHBondContact O-N 2.83Å; F88-M91 VanDerWaalsContact O-O 3.07Å; A89-M91 VanDerWaalsContact C-N 3.31Å; M91-L93 HydrophobicContact CB-CD2 4.4Å; M91-L93 PolarHBondContact O-N 3.44Å; M91-L196 HydrophobicContact CE-CD2 4.14Å
92N59.5Low63.5Low98 Ų98104.7 Ų104.752%0.52459%0.59SS.*  trans-62.787.8169.3-77.2-53.6000108.9Q90 T94 V199Q90-N92 PolarHBondContact O-N 3.4Å; N92-T94 PolarHBondContact O-N 2.95Å; N92-V199 HydrophobicContact CB-CG2 4.32Å
93L62.2Low62Low142 Ų142109 Ų10974%0.74360%0.603SS**  trans-73.671.5172.7-61.8177000108.1M91 L95M91-L93 HydrophobicContact CB-CD2 4.4Å; M91-L93 PolarHBondContact O-N 3.44Å; L93-L95 PolarHBondContact O-N 3.27Å
94T61.3Low60.6Low91 Ų91111 Ų11156%0.55862%0.615SS**PPolyproline II helixtrans-65.5128.6167.451.40000107.9N92N92-T94 PolarHBondContact O-N 2.95Å
95L54.8Low58.9Low153 Ų153114 Ų11480%0.80163%0.633SS**PPolyproline II helixtrans-52.8140.9171.2-68.8167.3000108L93 V97L93-L95 PolarHBondContact O-N 3.27Å; L95-V97 PolarHBondContact O-N 3.04Å
96P54.2Low57.4Low109 Ų109117.4 Ų117.471%0.70865%0.652SS**PPolyproline II helixtrans-50.7120.4178.620.4-31.1000108.4D98P96-D98 PolarHBondContact O-N 3.16Å; P96-D98 VanDerWaalsContact O-N 3.14Å
97V59.1Low55.9Low113 Ų113120.8 Ų120.869%0.68567%0.67SS**PPolyproline II helixtrans-53.3124.1178.51720000107.2L95 A99L95-V97 PolarHBondContact O-N 3.04Å; V97-A99 PolarHBondContact O-N 3.46Å
98D47.2Very low54.1Low116 Ų116120.3 Ų120.362%0.6268%0.679SS**  trans-48.8109.3176.3-106.7-34.2000109.3P96 S100 K101P96-D98 PolarHBondContact O-N 3.16Å; P96-D98 VanDerWaalsContact O-N 3.14Å; D98-S100 PolarHBondContact O-N 3.47Å; D98-K101 PolarHBondContact O-N 2.73Å
99A56.2Low52.6Low83 Ų83118.7 Ų118.769%0.68668%0.681SS**G310 helixtrans-58.1-14.3-178.700000112.6V97 K101V97-A99 PolarHBondContact O-N 3.46Å; A99-K101 VanDerWaalsContact C-N 3.32Å; A99-K101 PolarHBondContact O-N 3.2Å
100S51.9Low51.4Low88 Ų88121.4 Ų121.462%0.61569%0.693SS**G310 helixtrans-70.8-19.4174.964.10000114.4D98D98-S100 PolarHBondContact O-N 3.47Å
101K49Very low49.9Very low179 Ų179123.1 Ų123.178%0.77870%0.698SS**G310 helixtrans-90.6-8.4178.5-82-172.2179.5-1750114.7D98 A99 Q103D98-K101 PolarHBondContact O-N 2.73Å; A99-K101 VanDerWaalsContact C-N 3.32Å; A99-K101 PolarHBondContact O-N 3.2Å; K101-Q103 PolarHBondContact O-N 3.37Å
102I51.2Low48.4Very low126 Ų126124.1 Ų124.165%0.64671%0.712SS**  trans-83.662.8173.2-43.6174.5000108.4
103Q42Very low47.5Very low183 Ų183127.5 Ų127.586%0.85573%0.73SS**  trans-90.792.4156.7-75.3-171700106.4K101K101-Q103 PolarHBondContact O-N 3.37Å
104S45.8Very low46.3Very low84 Ų84126.2 Ų126.259%0.58773%0.733SS**  trans-149.994163.769.60000110.4C106S104-C106 PolarHBondContact O-N 3.15Å
105D41.5Very low45.1Very low149 Ų149127.2 Ų127.280%0.79774%0.744SS**  trans39.179.2135.8-55.2-29.8000116N107D105-N107 PolarHBondContact O-N 3.28Å
106C40.6Very low44.5Very low125 Ų125124.4 Ų124.485%0.84574%0.736SS**SBendtrans-64.770165.1-60.60000111.1S104S104-C106 PolarHBondContact O-N 3.15Å
107N41.1Very low44Very low160 Ų160127.3 Ų127.386%0.85674%0.738SS**  trans-143.232.5172.2-83.3-37.3000113.6D105D105-N107 PolarHBondContact O-N 3.28Å
108S36Very low43.1Very low98 Ų98127.2 Ų127.269%0.68574%0.74SS**SBendtrans-148.2121.6160.547.50000110.3
109P41.4Very low42.9Very low96 Ų96126.7 Ų126.762%0.62374%0.736SS**  trans-65.5134.8176.326.6-30.9000109.1F111P109-F111 HydrophobicContact CG-CD2 4.24Å; P109-F111 HydrophobicContact CG-CE2 4.02Å; P109-F111 PolarHBondContact O-N 3.3Å
110P44.6Very low42.6Very low134 Ų134127 Ų12787%0.8773%0.726SS**  trans-66.3103.6174.727.2-32000108.2
111F38.8Very low42.9Very low184 Ų184127.7 Ų127.781%0.80773%0.731SS**  trans-79.2139.7168.7-93.7-84000110.2P109P109-F111 HydrophobicContact CG-CD2 4.24Å; P109-F111 HydrophobicContact CG-CE2 4.02Å; P109-F111 PolarHBondContact O-N 3.3Å
112S37.7Very low43.1Very low95 Ų95122.8 Ų122.866%0.66472%0.72SS**  trans87.679.2157.2-54.10000117.6S114S112-S114 PolarHBondContact O-N 3.43Å
113D41.3Very low43.2Very low170 Ų170121.3 Ų121.391%0.90971%0.71SS**  27.769.3111.9-58.3-29.4000116.1
114S37.7Very low43.7Very low115 Ų115117.1 Ų117.180%0.80469%0.692SS**  trans-9499.1152.1-175.60000107.7S112 C116S112-S114 PolarHBondContact O-N 3.43Å; S114-C116 PolarHBondContact O-N 3.39Å
115S35.7Very low44Very low111 Ų111115.8 Ų115.878%0.77669%0.686SS**  trans-67.686.3-178.560.60000111.3
116C42.6Very low44.4Very low94 Ų94112.3 Ų112.364%0.63567%0.674SS**SBendtrans-96.8-25.9162.1-157.50000112.1S114S114-C116 PolarHBondContact O-N 3.39Å
117F42Very low44.8Very low170 Ų170108.5 Ų108.575%0.74665%0.651SS**  trans-143.8101.9175.4-66.3-79000110.5L119F117-L119 PolarHBondContact O-N 3.06Å
118P41.3Very low45.2Very low112 Ų112106.9 Ų106.973%0.72764%0.638SS**  trans-79.264.4174.535.6-32.9000108.5N120 Q123P118-N120 PolarHBondContact O-N 2.86Å; P118-Q123 PolarHBondContact O-OE1 3.42Å
119L43.2Very low45.8Very low105 Ų105107.5 Ų107.555%0.5563%0.63SS.*  trans-84.994.9164.5-61.4-179.7000106.4F117 Q123 I124F117-L119 PolarHBondContact O-N 3.06Å; L119-Q123 HydrophobicContact CB-CB 4.48Å; L119-Q123 HydrophobicContact CD2-CB 4.21Å; L119-I124 HydrophobicContact CB-CG1 4.46Å
120N49.9Very low46.2Very low88 Ų88109.3 Ų109.347%0.47163%0.634SS.*  trans-60.5151.7167.858.819.5000109.2P118 S122 Q123P118-N120 PolarHBondContact O-N 2.86Å; N120-S122 PolarHBondContact O-N 3.28Å; N120-S122 PolarHBondContact OD1-OG 3.05Å; N120-Q123 PolarHBondContact O-N 2.96Å; N120-Q123 WeakPolarHBondContact OD1-CG 3.43Å; N120-Q123 PolarHBondContact OD1-N 3.18Å
121S58.3Low46.4Very low103 Ų103111.4 Ų111.472%0.7263%0.626SS**Hα-helixtrans-52.1-23.2-175.631.70000114.4A125S121-A125 PolarHBondContact O-N 2.68Å
122S53.5Low47Very low77 Ų77109.1 Ų109.154%0.53862%0.617SS.*Hα-helixtrans-67-31.9171.139.80000114.9N120 S126N120-S122 PolarHBondContact O-N 3.28Å; N120-S122 PolarHBondContact OD1-OG 3.05Å; S122-S126 PolarHBondContact O-N 3.38Å
123Q52.2Low47.2Very low94 Ų94110.6 Ų110.644%0.43962%0.618SS.*Hα-helixtrans-76.3-33.8177.9-74.8174.7-3.600112.1P118 L119 N120 S126 A127P118-Q123 PolarHBondContact O-OE1 3.42Å; L119-Q123 HydrophobicContact CB-CB 4.48Å; L119-Q123 HydrophobicContact CD2-CB 4.21Å; N120-Q123 PolarHBondContact O-N 2.96Å; N120-Q123 WeakPolarHBondContact OD1-CG 3.43Å; N120-Q123 PolarHBondContact OD1-N 3.18Å; Q123-S126 PolarHBondContact O-N 3.04Å; Q123-A127 PolarHBondContact O-N 3.22Å
124I52.8Low47.2Very low95 Ų95109.1 Ų109.149%0.48761%0.609SS.*Hα-helixtrans-65.6-41172.9-59.4168000110.4L119 S126 A127 H128L119-I124 HydrophobicContact CB-CG1 4.46Å; I124-S126 VanDerWaalsContact C-N 3.3Å; I124-S126 PolarHBondContact O-N 2.9Å; I124-A127 PolarHBondContact O-N 3.48Å; I124-H128 PolarHBondContact O-N 3.02Å; I124-H128 VanDerWaalsContact O-N 3.16Å
125A52Low47.2Very low56 Ų56107.9 Ų107.946%0.46360%0.6SS.*Hα-helixtrans-62.5-36.7174.200000112.4S121 H128 H129S121-A125 PolarHBondContact O-N 2.68Å; A125-H128 PolarHBondContact O-N 3.16Å; A125-H129 PolarHBondContact O-CD2 3.38Å
126S50.5Low47.5Very low77 Ų77110 Ų11054%0.53860%0.602SS.*Hα-helixtrans-67.6-37.3175-160.70000112.6S122 Q123 I124 H128 H129S122-S126 PolarHBondContact O-N 3.38Å; Q123-S126 PolarHBondContact O-N 3.04Å; I124-S126 VanDerWaalsContact C-N 3.3Å; I124-S126 PolarHBondContact O-N 2.9Å; S126-H128 VanDerWaalsContact C-N 3.32Å; S126-H128 PolarHBondContact O-N 3.24Å; S126-H129 WeakPolarHBondContact O-CB 3.39Å; S126-H129 PolarHBondContact O-N 2.97Å; S126-H129 VanDerWaalsContact O-N 3.15Å
127A48.7Very low47.1Very low44 Ų44116.4 Ų116.436%0.36462%0.615SS.*Hα-helixtrans-65-33.9175.200000112.6Q123 I124 H129 L130 Y131Q123-A127 PolarHBondContact O-N 3.22Å; I124-A127 PolarHBondContact O-N 3.48Å; A127-H129 PolarHBondContact O-N 3.16Å; A127-L130 WeakPolarHBondContact O-CB 3.35Å; A127-L130 PolarHBondContact O-N 2.89Å; A127-Y131 WeakPolarHBondContact O-CD2 3.03Å
128H48.6Very low46.9Very low126 Ų126113.2 Ų113.258%0.58361%0.609SS**Hα-helixtrans-61.9-26.7173.5-99.4-82.4000113.6I124 A125 S126 L130 Q132I124-H128 PolarHBondContact O-N 3.02Å; I124-H128 VanDerWaalsContact O-N 3.16Å; A125-H128 PolarHBondContact O-N 3.16Å; S126-H128 VanDerWaalsContact C-N 3.32Å; S126-H128 PolarHBondContact O-N 3.24Å; H128-L130 VanDerWaalsContact C-N 3.35Å; H128-Q132 PolarHBondContact O-N 2.85Å
129H49.2Very low46.6Very low112 Ų112114.4 Ų114.452%0.51961%0.609SS.*Hα-helixtrans-72.1-25.8173.2-75-67.6000113.4A125 S126 A127 Y131 N133A125-H129 PolarHBondContact O-CD2 3.38Å; S126-H129 WeakPolarHBondContact O-CB 3.39Å; S126-H129 PolarHBondContact O-N 2.97Å; S126-H129 VanDerWaalsContact O-N 3.15Å; A127-H129 PolarHBondContact O-N 3.16Å; H129-Y131 VanDerWaalsContact C-N 3.34Å; H129-N133 PolarHBondContact O-N 2.98Å; H129-N133 PolarHBondContact O-ND2 3.46Å
130L50.5Low46.6Very low133 Ų133118.3 Ų118.370%0.69662%0.622SS**Hα-helixtrans-69.3-34.9176.1-67.2174.2000111.5A127 H128A127-L130 WeakPolarHBondContact O-CB 3.35Å; A127-L130 PolarHBondContact O-N 2.89Å; H128-L130 VanDerWaalsContact C-N 3.35Å
131Y48.9Very low46.3Very low178 Ų178123.2 Ų123.270%0.69864%0.642SS**Hα-helixtrans-78.4-29.6177.6-68.5-77.3000113.6A127 H129 N133 L134A127-Y131 WeakPolarHBondContact O-CD2 3.03Å; H129-Y131 VanDerWaalsContact C-N 3.34Å; Y131-N133 VanDerWaalsContact C-N 3.28Å; Y131-N133 PolarHBondContact O-N 3.42Å; Y131-L134 PolarHBondContact O-N 3.48Å
132Q50.9Low45.8Very low136 Ų136123 Ų12364%0.63665%0.647SS**Hα-helixtrans-69.1-24.4175-82.9-174.2-400113.5H128 L134H128-Q132 PolarHBondContact O-N 2.85Å; Q132-L134 VanDerWaalsContact C-N 3.29Å; Q132-L134 PolarHBondContact O-N 3.44Å
133N41.7Very low44.9Very low126 Ų126122.3 Ų122.367%0.67465%0.652SS**THydrogen-bonded Turntrans-83-0.2-179.7-72.6-45.2000114.3H129 Y131 S135H129-N133 PolarHBondContact O-N 2.98Å; H129-N133 PolarHBondContact O-ND2 3.46Å; Y131-N133 VanDerWaalsContact C-N 3.28Å; Y131-N133 PolarHBondContact O-N 3.42Å; N133-S135 PolarHBondContact O-N 3.02Å
134L41.9Very low44.2Very low140 Ų140123.7 Ų123.773%0.73367%0.666SS**  trans-75.852.6158.4-63.6175000109.5Y131 Q132 L136Y131-L134 PolarHBondContact O-N 3.48Å; Q132-L134 VanDerWaalsContact C-N 3.29Å; Q132-L134 PolarHBondContact O-N 3.44Å; L134-L136 VanDerWaalsContact C-N 3.28Å; L134-L136 PolarHBondContact O-N 2.79Å
135S37.4Very low43.6Very low88 Ų88126.1 Ų126.162%0.61568%0.679SS**  trans-65.498.5162.1-69.30000106N133 Y137N133-S135 PolarHBondContact O-N 3.02Å; S135-Y137 PolarHBondContact O-N 3.16Å
136L41.2Very low42.7Very low155 Ų155128 Ų12881%0.81268%0.684SS**  trans-46.5110163.7-69.6166.2000106.1L134 T138L134-L136 VanDerWaalsContact C-N 3.28Å; L134-L136 PolarHBondContact O-N 2.79Å; L136-T138 PolarHBondContact O-N 3.44Å
137Y34.6Very low42.5Very low229 Ų229130 Ų13090%0.89869%0.688SS**  trans-63.382.2172.8-112-96.2000106.9S135 N139S135-Y137 PolarHBondContact O-N 3.16Å; Y137-N139 VanDerWaalsContact C-N 3.3Å; Y137-N139 PolarHBondContact O-N 3.37Å
138T38.7Very low41.8Very low104 Ų104133.3 Ų133.364%0.63870%0.7SS**  trans-75.494.3165.958.80000104.8L136 K140L136-T138 PolarHBondContact O-N 3.44Å; T138-K140 WeakPolarHBondContact O-CG 3.09Å; T138-K140 PolarHBondContact O-N 2.83Å
139N34.9Very low41.9Very low136 Ų136134 Ų13473%0.72771%0.708SS**  trans-59.7110.6173.8-141.5-20000106.8Y137 E141Y137-N139 VanDerWaalsContact C-N 3.3Å; Y137-N139 PolarHBondContact O-N 3.37Å; N139-E141 PolarHBondContact O-N 2.95Å
140K42.3Very low41.8Very low188 Ų188135.1 Ų135.182%0.81772%0.717SS**THydrogen-bonded Turntrans-76.667.3-171.1-63.8-169.2179.5-175.90109.8T138T138-K140 WeakPolarHBondContact O-CG 3.09Å; T138-K140 PolarHBondContact O-N 2.83Å
141E43.4Very low41.5Very low191 Ų191136.3 Ų136.389%0.89372%0.719SS**THydrogen-bonded Turntrans-163.8-16.5162.8-146.5105.8-149.500114N139N139-E141 PolarHBondContact O-N 2.95Å
142A48.4Very low41.3Very low98 Ų98135.4 Ų135.481%0.8173%0.727SS**SBendtrans-155.595174.900000110.2
143G33.3Very low41.1Very low63 Ų63136 Ų13665%0.64973%0.733SS**  trans-166.226.3-175.400000114.3I145G143-I145 VanDerWaalsContact C-N 3.26Å; G143-I145 PolarHBondContact O-N 3.4Å; G143-I145 VanDerWaalsContact O-N 3.16Å
144V38.7Very low41.1Very low122 Ų122136.5 Ų136.574%0.73974%0.735SS**  trans-68.3103.3145.7-177.40000103.2T146V144-T146 HydrophobicContact CG1-CG2 3.76Å; V144-T146 PolarHBondContact O-N 3.13Å; V144-T146 PolarHBondContact O-OG1 2.72Å
145I40.5Very low41.6Very low147 Ų147138.3 Ų138.375%0.75474%0.74SS**  trans-72.672.7165.6-49.5175.9000105.2G143 I147G143-I145 VanDerWaalsContact C-N 3.26Å; G143-I145 PolarHBondContact O-N 3.4Å; G143-I145 VanDerWaalsContact O-N 3.16Å; I145-I147 HydrophobicContact CG2-CD1 4.49Å; I145-I147 HydrophobicContact CG2-CG1 3.65Å; I145-I147 PolarHBondContact O-N 2.95Å
146T32.7Very low41.7Very low94 Ų94140.8 Ų140.858%0.57775%0.746SS**  trans-64.692.8153.1320000104.2V144 N148V144-T146 HydrophobicContact CG1-CG2 3.76Å; V144-T146 PolarHBondContact O-N 3.13Å; V144-T146 PolarHBondContact O-OG1 2.72Å; T146-N148 PolarHBondContact O-N 3.01Å
147I46.5Very low42.1Very low119 Ų119142.2 Ų142.261%0.6175%0.749SS**  trans-69.790.7155-34.6170.8000102I145 D149I145-I147 HydrophobicContact CG2-CD1 4.49Å; I145-I147 HydrophobicContact CG2-CG1 3.65Å; I145-I147 PolarHBondContact O-N 2.95Å; I147-D149 PolarHBondContact O-N 3.15Å
148N34.5Very low42.7Very low115 Ų115140.1 Ų140.162%0.61575%0.747SS**  trans-57.4113.9167.5-74-17.8000104.9T146 D150T146-N148 PolarHBondContact O-N 3.01Å; N148-D150 PolarHBondContact O-N 2.95Å
149D50Low43Very low140 Ų140141 Ų14175%0.74975%0.753SS**SBendtrans-739.1172-76.6-37.3000111.5I147I147-D149 PolarHBondContact O-N 3.15Å
150D47.7Very low43.7Very low136 Ų136143.7 Ų143.773%0.72776%0.761SS**  trans-126.279.6178.9-64.5-39.5000109.1N148N148-D150 PolarHBondContact O-N 2.95Å
151E43.8Very low44Very low157 Ų157145.6 Ų145.673%0.73476%0.763SS**  trans-152107.2143.5-74.6-51.9157.700105.6I153E151-I153 PolarHBondContact O-N 3.09Å
152D44.7Very low44.6Very low159 Ų159141 Ų14185%0.8575%0.752SS**  trans-57.290.9159.7-70.4-49.6000106.7D154D152-D154 PolarHBondContact O-N 2.97Å
153I45.9Very low45.3Very low150 Ų150141.9 Ų141.977%0.76975%0.749SS**  trans-65.8106175.1-63.7172.9000106.1E151 E155E151-I153 PolarHBondContact O-N 3.09Å; I153-E155 PolarHBondContact O-N 2.84Å; I153-E155 VanDerWaalsContact O-N 3.16Å
154D42.6Very low46.8Very low136 Ų136145.2 Ų145.273%0.72775%0.751SS**  trans-46.5118.1172.7-68.9-48.9000109.2D152 D156D152-D154 PolarHBondContact O-N 2.97Å; D154-D156 PolarHBondContact O-N 2.93Å
155E51.4Low48.3Very low177 Ų177149.6 Ų149.683%0.82776%0.755SS**  trans-70.567.5177.7-77-108.1175.200110I153I153-E155 PolarHBondContact O-N 2.84Å; I153-E155 VanDerWaalsContact O-N 3.16Å
156D39Very low50.1Low140 Ų140148.2 Ų148.275%0.74974%0.743SS**  trans-127.6119.3169.1-74.3-42.3000109.9D154D154-D156 PolarHBondContact O-N 2.93Å
157E49.9Very low52.3Low185 Ų185147 Ų14786%0.86474%0.739SS**  trans68.572.3162.9-57.8-171.9149.600118.6
158Q47.3Very low53.9Low186 Ų186147.1 Ų147.187%0.86974%0.741SS**  trans-14597.6137.4-75.5-154.6-15.600112.7
159T44.4Very low56Low122 Ų122147.1 Ų147.175%0.74874%0.741SS**  trans38.4101.9132.434.20000118
160E51Low57.4Low192 Ų192143.8 Ų143.890%0.89772%0.722SS**SBendtrans23.9110.2137.5-56.7-164.7179.900117.7
161R47.2Very low58.9Low229 Ų229141.9 Ų141.986%0.86471%0.708SS**  trans83.862.2154.9-147.4177.7-167.81704.8116.1P163R161-P163 WeakPolarHBondContact O-CD 3.28Å
162S56.5Low60.5Low94 Ų94138.3 Ų138.366%0.65769%0.693SS**  trans-63.9110.5147.9-75.50000108.6L164S162-L164 PolarHBondContact O-N 2.98Å; S162-L164 VanDerWaalsContact O-N 3.14Å
163P62.8Low61.8Low116 Ų116137 Ų13775%0.75368%0.682SS**SBendtrans-72.3-9.8-164.6-18.732.8000115.3R161R161-P163 WeakPolarHBondContact O-CD 3.28Å
164L65.5Low62.9Low133 Ų133135.2 Ų135.270%0.69667%0.674SS**  trans-128.684.5175.3-78.6100.1000108.9S162 F166S162-L164 PolarHBondContact O-N 2.98Å; S162-L164 VanDerWaalsContact O-N 3.14Å; L164-F166 HydrophobicContact CD2-CE1 4.44Å; L164-F166 PolarHBondContact O-N 2.89Å
165R71.4Confident64.4Low215 Ų215135.9 Ų135.981%0.81167%0.666SS**  trans-78.9106.2160.8-79.2-166.7139.2-172.9-4.7107.5
166F76.7Confident64.7Low117 Ų117133.8 Ų133.851%0.51366%0.66SS.*  trans-62.4145.3165.5-62.5-59.5000109L164 L170L164-F166 HydrophobicContact CD2-CE1 4.44Å; L164-F166 PolarHBondContact O-N 2.89Å; F166-L170 HydrophobicContact CB-CB 4.29Å; F166-L170 HydrophobicContact CB-CD2 4Å; F166-L170 HydrophobicContact CB-CG 4.17Å; F166-L170 HydrophobicContact CD1-CD2 3.31Å; F166-L170 HydrophobicContact CD1-CG 4.14Å; F166-L170 HydrophobicContact CE1-CD2 4.06Å; F166-L170 HydrophobicContact CG-CD2 3.96Å; F166-L170 HydrophobicContact CG-CG 4.36Å
167S80.5Confident65.7Low69 Ų69135.5 Ų135.548%0.48366%0.66SS.*  trans-56.9149.4168.558.20000109.4D169 L170 K171S167-D169 PolarHBondContact O-N 2.94Å; S167-L170 PolarHBondContact O-N 2.68Å; S167-L170 WeakPolarHBondContact OG-CB 3.44Å; S167-L170 PolarHBondContact OG-N 2.83Å; S167-L170 VanDerWaalsContact OG-N 3.13Å; S167-K171 PolarHBondContact O-N 3.4Å
168N79.4Confident66.1Low121 Ų121136.4 Ų136.465%0.64766%0.656SS**Hα-helixtrans-54.8-39175-71.1-24.3000110.6L170 K171 D172N168-L170 PolarHBondContact O-N 3.5Å; N168-K171 WeakPolarHBondContact O-CB 3.4Å; N168-K171 PolarHBondContact O-N 2.88Å; N168-D172 WeakPolarHBondContact O-CB 3.46Å; N168-D172 PolarHBondContact O-N 3.1Å
169D79Confident66.9Low116 Ų116134.8 Ų134.862%0.6265%0.65SS**Hα-helixtrans-58.5-46.9174.2-62.1-5.3000112.1S167 K171 D172 H173S167-D169 PolarHBondContact O-N 2.94Å; D169-K171 VanDerWaalsContact C-N 3.35Å; D169-D172 PolarHBondContact O-N 2.94Å; D169-H173 WeakPolarHBondContact O-CB 3.47Å; D169-H173 PolarHBondContact O-N 2.88Å; D169-H173 PolarHBondContact O-ND1 3.27Å
170L78.4Confident67.9Low69 Ų69136 Ų13636%0.36165%0.652SS.*Hα-helixtrans-67.3-38177.8177.858000111.4F166 S167 N168 D172 H173 L174F166-L170 HydrophobicContact CB-CB 4.29Å; F166-L170 HydrophobicContact CB-CD2 4Å; F166-L170 HydrophobicContact CB-CG 4.17Å; F166-L170 HydrophobicContact CD1-CD2 3.31Å; F166-L170 HydrophobicContact CD1-CG 4.14Å; F166-L170 HydrophobicContact CE1-CD2 4.06Å; F166-L170 HydrophobicContact CG-CD2 3.96Å; F166-L170 HydrophobicContact CG-CG 4.36Å; S167-L170 PolarHBondContact O-N 2.68Å; S167-L170 WeakPolarHBondContact OG-CB 3.44Å; S167-L170 PolarHBondContact OG-N 2.83Å; S167-L170 VanDerWaalsContact OG-N 3.13Å; N168-L170 PolarHBondContact O-N 3.5Å; L170-D172 VanDerWaalsContact C-N 3.3Å; L170-D172 PolarHBondContact O-N 3.14Å; L170-H173 PolarHBondContact O-N 3.5Å; L170-L174 HydrophobicContact CD1-CD1 4.05Å; L170-L174 HydrophobicContact CD1-CG 3.97Å; L170-L174 HydrophobicContact CG-CD1 4.03Å; L170-L174 HydrophobicContact CG-CG 4.38Å; L170-L174 WeakPolarHBondContact O-CB 3.36Å; L170-L174 VanDerWaalsContact O-CG 3.24Å; L170-L174 WeakPolarHBondContact O-CG 3.42Å; L170-L174 PolarHBondContact O-N 2.7Å
171K79.5Confident68.8Low97 Ų97129.6 Ų129.642%0.42263%0.627SS.*Hα-helixtrans-59.7-43.8174.3-168.1-177.9-173.9-176.70110.6S167 N168 D169 L174 R175S167-K171 PolarHBondContact O-N 3.4Å; N168-K171 WeakPolarHBondContact O-CB 3.4Å; N168-K171 PolarHBondContact O-N 2.88Å; D169-K171 VanDerWaalsContact C-N 3.35Å; K171-L174 PolarHBondContact O-N 2.91Å; K171-R175 VanDerWaalsContact CE-NH2 3.3Å; K171-R175 WeakPolarHBondContact O-CB 3.49Å; K171-R175 WeakPolarHBondContact O-CD 3.42Å; K171-R175 WeakPolarHBondContact O-CG 3.42Å; K171-R175 PolarHBondContact O-N 3.2Å
172D76.9Confident70.2Confident81 Ų81123.2 Ų123.243%0.43361%0.614SS.*Hα-helixtrans-72.7-35.6179.6-69.5-15.7000112.3N168 D169 L170 R175 L176N168-D172 WeakPolarHBondContact O-CB 3.46Å; N168-D172 PolarHBondContact O-N 3.1Å; D169-D172 PolarHBondContact O-N 2.94Å; L170-D172 VanDerWaalsContact C-N 3.3Å; L170-D172 PolarHBondContact O-N 3.14Å; D172-R175 CarbonylContact O-C 3.6Å; D172-R175 PolarHBondContact O-N 2.96Å; D172-R175 IonicContact OD1-CZ 3.99Å; D172-R175 IonicContact OD1-NH1 2.93Å; D172-R175 PolarHBondContact OD1-NH1 2.92Å; D172-L176 WeakPolarHBondContact O-CB 3.46Å; D172-L176 PolarHBondContact O-N 2.99Å
173H72.2Confident71.2Confident131 Ų131124.8 Ų124.861%0.60662%0.615SS**Hα-helixtrans-65.9-38.7171.5-7977.2000112.5D169 L170 L176D169-H173 WeakPolarHBondContact O-CB 3.47Å; D169-H173 PolarHBondContact O-N 2.88Å; D169-H173 PolarHBondContact O-ND1 3.27Å; L170-H173 PolarHBondContact O-N 3.5Å; H173-L176 WeakPolarHBondContact O-CB 3.41Å; H173-L176 PolarHBondContact O-N 2.74Å
174L70.2Confident72Confident114 Ų114124.4 Ų124.460%0.59761%0.611SS**Hα-helixtrans-73.3-29.9175.6-69.8173.7000112.2L170 K171 L176L170-L174 HydrophobicContact CD1-CD1 4.05Å; L170-L174 HydrophobicContact CD1-CG 3.97Å; L170-L174 HydrophobicContact CG-CD1 4.03Å; L170-L174 HydrophobicContact CG-CG 4.38Å; L170-L174 WeakPolarHBondContact O-CB 3.36Å; L170-L174 VanDerWaalsContact O-CG 3.24Å; L170-L174 WeakPolarHBondContact O-CG 3.42Å; L170-L174 PolarHBondContact O-N 2.7Å; K171-L174 PolarHBondContact O-N 2.91Å; L174-L176 VanDerWaalsContact C-N 3.25Å
175R72.8Confident72.5Confident150 Ų150123.7 Ų123.757%0.56660%0.602SS**Hα-helixtrans-69.3-26.2168.1-74.7164.3167.3174.1-13.5111.8K171 D172 K177K171-R175 VanDerWaalsContact CE-NH2 3.3Å; K171-R175 WeakPolarHBondContact O-CB 3.49Å; K171-R175 WeakPolarHBondContact O-CD 3.42Å; K171-R175 WeakPolarHBondContact O-CG 3.42Å; K171-R175 PolarHBondContact O-N 3.2Å; D172-R175 CarbonylContact O-C 3.6Å; D172-R175 PolarHBondContact O-N 2.96Å; D172-R175 IonicContact OD1-CZ 3.99Å; D172-R175 IonicContact OD1-NH1 2.93Å; D172-R175 PolarHBondContact OD1-NH1 2.92Å; R175-K177 PolarHBondContact O-N 3.17Å
176L58.6Low72.9Confident132 Ų132116.9 Ų116.969%0.69158%0.581SS**THydrogen-bonded Turntrans-63.4101.6-176.3-160.375000110D172 H173 L174D172-L176 WeakPolarHBondContact O-CB 3.46Å; D172-L176 PolarHBondContact O-N 2.99Å; H173-L176 WeakPolarHBondContact O-CB 3.41Å; H173-L176 PolarHBondContact O-N 2.74Å; L174-L176 VanDerWaalsContact C-N 3.25Å
177K59.7Low73Confident176 Ų176119.9 Ų119.977%0.76559%0.589SS**THydrogen-bonded Turntrans55.192.5179.6-67.1-160.9174.8-1740113.7R175 M179R175-K177 PolarHBondContact O-N 3.17Å; K177-M179 PolarHBondContact O-N 2.89Å
178R59.1Low72.8Confident205 Ų205118.3 Ų118.377%0.77458%0.584SS**  trans-53.376.7136.6-67-176.5172.5118.7-3.1108.6N180R178-N180 PolarHBondContact O-N 3.36Å; R178-N180 VanDerWaalsContact O-N 3.16Å
179M63.2Low72.3Confident151 Ų151117.5 Ų117.574%0.74458%0.579SS**  trans-70.1108.8164.6-152.5156.293.700103K177 P181K177-M179 PolarHBondContact O-N 2.89Å; M179-P181 WeakPolarHBondContact O-CD 3.1Å
180N66.5Low72Confident147 Ų147119.3 Ų119.379%0.78659%0.588SS**  trans-54.2108.2168.5-76.4-41.7000105.2R178 T182R178-N180 PolarHBondContact O-N 3.36Å; R178-N180 VanDerWaalsContact O-N 3.16Å; N180-T182 PolarHBondContact O-N 2.9Å
181P68.5Low71.7Confident59 Ų59120.1 Ų120.138%0.38360%0.6SS.*  trans-60.4123.3-17823.8-30.3000106.3M179 F185 L186M179-P181 WeakPolarHBondContact O-CD 3.1Å; P181-F185 HydrophobicContact CB-CD1 3.52Å; P181-F185 HydrophobicContact CB-CE1 4.12Å; P181-F185 HydrophobicContact CB-CG 4.36Å; P181-L186 HydrophobicContact CB-CD2 3.89Å; P181-L186 HydrophobicContact CB-CG 3.92Å; P181-L186 HydrophobicContact CG-CD1 4.08Å; P181-L186 HydrophobicContact CG-CD2 3.65Å; P181-L186 HydrophobicContact CG-CG 3.86Å
182T76.7Confident71.1Confident94 Ų94118.5 Ų118.558%0.57760%0.6SS**  trans-55.1145.1175.622.80000108.9N180 T184 F185 L186N180-T182 PolarHBondContact O-N 2.9Å; T182-T184 WeakPolarHBondContact CB-OG1 3.46Å; T182-T184 PolarHBondContact O-N 3.45Å; T182-F185 WeakPolarHBondContact O-CA 3.4Å; T182-F185 WeakPolarHBondContact O-CB 3.24Å; T182-F185 PolarHBondContact O-N 3.24Å; T182-L186 PolarHBondContact O-N 2.85Å; T182-L186 VanDerWaalsContact O-N 3.16Å
183D78.5Confident70.7Confident128 Ų128123 Ų12368%0.68462%0.619SS**Hα-helixtrans-51.1-34.3179.2-174.856.5000112.1F185 L186 R187D183-F185 PolarHBondContact O-N 2.99Å; D183-L186 PolarHBondContact O-N 3.43Å; D183-R187 WeakPolarHBondContact O-CB 3.19Å; D183-R187 PolarHBondContact O-N 3.36Å
184T78.8Confident70.4Confident108 Ų108122 Ų12266%0.66362%0.624SS**Hα-helixtrans-60.7-38.1172450000114.4T182 G188T182-T184 WeakPolarHBondContact CB-OG1 3.46Å; T182-T184 PolarHBondContact O-N 3.45Å; T184-G188 PolarHBondContact O-N 3.36Å
185F77.1Confident70.2Confident117 Ų117121.6 Ų121.651%0.51363%0.63SS.*Hα-helixtrans-70.6-47.6176.8175.4-92.5000111P181 T182 D183 R187 G188 L189P181-F185 HydrophobicContact CB-CD1 3.52Å; P181-F185 HydrophobicContact CB-CE1 4.12Å; P181-F185 HydrophobicContact CB-CG 4.36Å; T182-F185 WeakPolarHBondContact O-CA 3.4Å; T182-F185 WeakPolarHBondContact O-CB 3.24Å; T182-F185 PolarHBondContact O-N 3.24Å; D183-F185 PolarHBondContact O-N 2.99Å; F185-R187 VanDerWaalsContact C-N 3.31Å; F185-R187 PolarHBondContact O-N 3.06Å; F185-G188 PolarHBondContact O-N 3.14Å; F185-G188 VanDerWaalsContact O-N 3.16Å; F185-L189 HydrophobicContact CD1-CD1 3.95Å; F185-L189 HydrophobicContact CE1-CD1 3.34Å; F185-L189 HydrophobicContact CE1-CG 4.16Å; F185-L189 HydrophobicContact CZ-CD1 3.73Å; F185-L189 HydrophobicContact CZ-CG 4.27Å; F185-L189 PolarHBondContact O-N 3.04Å
186L79.4Confident69.5Low73 Ų73120.6 Ų120.638%0.38264%0.636SS.*Hα-helixtrans-60.3-44.1175.9-68.6178.9000111.2P181 T182 D183 G188 L189 L190P181-L186 HydrophobicContact CB-CD2 3.89Å; P181-L186 HydrophobicContact CB-CG 3.92Å; P181-L186 HydrophobicContact CG-CD1 4.08Å; P181-L186 HydrophobicContact CG-CD2 3.65Å; P181-L186 HydrophobicContact CG-CG 3.86Å; T182-L186 PolarHBondContact O-N 2.85Å; T182-L186 VanDerWaalsContact O-N 3.16Å; D183-L186 PolarHBondContact O-N 3.43Å; L186-G188 VanDerWaalsContact C-N 3.31Å; L186-G188 PolarHBondContact O-N 2.91Å; L186-L189 PolarHBondContact O-N 3.16Å; L186-L190 WeakPolarHBondContact O-CB 3.38Å; L186-L190 VanDerWaalsContact O-CG 3.3Å; L186-L190 WeakPolarHBondContact O-CG 3.12Å; L186-L190 PolarHBondContact O-N 2.85Å
187R77.1Confident70.2Confident180 Ų180117.1 Ų117.168%0.67963%0.626SS**Hα-helixtrans-63.2-38.3176.2-165.3174.4-174.5-114.6-0.1111.4D183 F185 L190 S191D183-R187 WeakPolarHBondContact O-CB 3.19Å; D183-R187 PolarHBondContact O-N 3.36Å; F185-R187 VanDerWaalsContact C-N 3.31Å; F185-R187 PolarHBondContact O-N 3.06Å; R187-L190 PolarHBondContact O-N 2.84Å; R187-S191 WeakPolarHBondContact O-CB 3.45Å; R187-S191 PolarHBondContact O-N 2.92Å; R187-S191 PolarHBondContact O-OG 2.86Å
188G76.4Confident70.6Confident36 Ų36116.4 Ų116.437%0.37163%0.629SS.*Hα-helixtrans-57.4-49.9172.900000112.3T184 F185 L186 L190 S191 S192T184-G188 PolarHBondContact O-N 3.36Å; F185-G188 PolarHBondContact O-N 3.14Å; F185-G188 VanDerWaalsContact O-N 3.16Å; L186-G188 VanDerWaalsContact C-N 3.31Å; L186-G188 PolarHBondContact O-N 2.91Å; G188-L190 PolarHBondContact O-N 2.9Å; G188-S191 PolarHBondContact O-N 2.83Å; G188-S192 PolarHBondContact O-N 3.24Å; G188-S192 VanDerWaalsContact O-N 3.11Å; G188-S192 PolarHBondContact O-OG 3.03Å
189L70.5Confident71.2Confident104 Ų104110.3 Ų110.355%0.54561%0.614SS.*Hα-helixtrans-63.9-37.9178.2-68.3177.2000113.5F185 L186F185-L189 HydrophobicContact CD1-CD1 3.95Å; F185-L189 HydrophobicContact CE1-CD1 3.34Å; F185-L189 HydrophobicContact CE1-CG 4.16Å; F185-L189 HydrophobicContact CZ-CD1 3.73Å; F185-L189 HydrophobicContact CZ-CG 4.27Å; F185-L189 PolarHBondContact O-N 3.04Å; L186-L189 PolarHBondContact O-N 3.16Å
190L72.9Confident71.8Confident153 Ų153108.2 Ų108.280%0.80161%0.612SS**Hα-helixtrans-84.2-22.2-177.8-65.9175000113.5L186 R187 G188L186-L190 WeakPolarHBondContact O-CB 3.38Å; L186-L190 VanDerWaalsContact O-CG 3.3Å; L186-L190 WeakPolarHBondContact O-CG 3.12Å; L186-L190 PolarHBondContact O-N 2.85Å; R187-L190 PolarHBondContact O-N 2.84Å; G188-L190 PolarHBondContact O-N 2.9Å
191S70.2Confident71.8Confident87 Ų87109.8 Ų109.861%0.60861%0.612SS**Hα-helixtrans-94.4-20.9-179.660.80000113.6R187 G188 E193R187-S191 WeakPolarHBondContact O-CB 3.45Å; R187-S191 PolarHBondContact O-N 2.92Å; R187-S191 PolarHBondContact O-OG 2.86Å; G188-S191 PolarHBondContact O-N 2.83Å; S191-E193 PolarHBondContact O-N 3.31Å; S191-E193 VanDerWaalsContact O-N 3.13Å
192S68.3Low71.9Confident63 Ų63112.1 Ų112.144%0.44162%0.622SS.*SBendtrans-76.498167.861.10000108.8G188 P194G188-S192 PolarHBondContact O-N 3.24Å; G188-S192 VanDerWaalsContact O-N 3.11Å; G188-S192 PolarHBondContact O-OG 3.03Å; S192-P194 WeakPolarHBondContact O-CD 3.49Å
193E69.2Low71.6Confident175 Ų175112 Ų11282%0.81862%0.622SS**  trans-53.9124.3162.1-171174.5-172.900107.4S191 S195S191-E193 PolarHBondContact O-N 3.31Å; S191-E193 VanDerWaalsContact O-N 3.13Å; E193-S195 VanDerWaalsContact C-N 3.33Å; E193-S195 PolarHBondContact O-N 2.93Å
194P64.4Low71.2Confident110 Ų110110.7 Ų110.771%0.71462%0.615SS**  trans-64.798.8177.325.9-32.5000108S192 L196S192-P194 WeakPolarHBondContact O-CD 3.49Å; P194-L196 PolarHBondContact O-N 3.21Å
195S66.8Low70.5Confident105 Ų105110 Ų11073%0.73461%0.613SS**  trans-75.397.9176.3-169.50000108.3E193 A197E193-S195 VanDerWaalsContact C-N 3.33Å; E193-S195 PolarHBondContact O-N 2.93Å; S195-A197 PolarHBondContact O-N 2.86Å; S195-A197 VanDerWaalsContact O-N 3.16Å
196L58.8Low69.9Low129 Ų129110.9 Ų110.968%0.67562%0.622SS**  trans-76.495166.7-64.8174.9000107.4M91 P194 I198M91-L196 HydrophobicContact CE-CD2 4.14Å; P194-L196 PolarHBondContact O-N 3.21Å; L196-I198 PolarHBondContact O-N 3.45Å
197A71.7Confident68.8Low60 Ų60115.3 Ų115.350%0.49664%0.638SS.*  trans-67.7116.3166.500000108.1S195 V199S195-A197 PolarHBondContact O-N 2.86Å; S195-A197 VanDerWaalsContact O-N 3.16Å; A197-V199 HydrophobicContact CB-CG2 4.34Å; A197-V199 PolarHBondContact O-N 2.86Å
198I69Low68Low161 Ų161110.2 Ų110.283%0.82664%0.641SS**  trans-6891.9163.6-58171.9000105.6L196 P200L196-I198 PolarHBondContact O-N 3.45Å; I198-P200 VanDerWaalsContact O-CD 3.27Å; I198-P200 WeakPolarHBondContact O-CD 3.46Å
199V70.9Confident66.9Low76 Ų76115.2 Ų115.246%0.46166%0.659SS.*PPolyproline II helixtrans-75.7116.1170.3-179.10000106.5N92 A197 F201N92-V199 HydrophobicContact CB-CG2 4.32Å; A197-V199 HydrophobicContact CB-CG2 4.34Å; A197-V199 PolarHBondContact O-N 2.86Å; V199-F201 PolarHBondContact O-N 3.02Å
200P75.3Confident65.9Low107 Ų107116.2 Ų116.270%0.69566%0.664SS**PPolyproline II helixtrans-57.2129.5174.6-22.234.2000109.4I198 N202I198-P200 VanDerWaalsContact O-CD 3.27Å; I198-P200 WeakPolarHBondContact O-CD 3.46Å; P200-N202 PolarHBondContact O-N 3.13Å; P200-N202 VanDerWaalsContact O-N 3.14Å
201F66.8Low64.4Low181 Ų181113.4 Ų113.479%0.79466%0.655SS**PPolyproline II helixtrans-57.9118.7173.8176.6-105.1000109.2V199 P203V199-F201 PolarHBondContact O-N 3.02Å; F201-P203 HydrophobicContact CD1-CB 4.31Å; F201-P203 HydrophobicContact CE1-CB 3.73Å; F201-P203 HydrophobicContact CZ-CB 4.45Å; F201-P203 WeakPolarHBondContact O-CD 3.18Å
202N72.3Confident63.5Low108 Ų108115.2 Ų115.258%0.57866%0.664SS**  trans-96.7109.8171-170.11.4000108.6P200 D204P200-N202 PolarHBondContact O-N 3.13Å; P200-N202 VanDerWaalsContact O-N 3.14Å; N202-D204 PolarHBondContact O-N 3.04Å; N202-D204 PolarHBondContact OD1-N 3Å
203P68.5Low62Low90 Ų90118.1 Ų118.158%0.58468%0.675SS**  trans-72.91.4-178.530.5-36.2000114.1F201 P205F201-P203 HydrophobicContact CD1-CB 4.31Å; F201-P203 HydrophobicContact CE1-CB 3.73Å; F201-P203 HydrophobicContact CZ-CB 4.45Å; F201-P203 WeakPolarHBondContact O-CD 3.18Å; P203-P205 VanDerWaalsContact C-CD 3.46Å; P203-P205 WeakPolarHBondContact O-CD 3.42Å
204D71.9Confident60.5Low102 Ų102117.5 Ų117.555%0.54567%0.67SS.*  trans-90.889.9173.2-90.1-23.5000111.1N202 L206N202-D204 PolarHBondContact O-N 3.04Å; N202-D204 PolarHBondContact OD1-N 3Å; D204-L206 PolarHBondContact O-N 3.49Å; D204-L206 VanDerWaalsContact O-N 3.11Å
205P63Low59.3Low93 Ų93118 Ų11860%0.60468%0.676SS**THydrogen-bonded Turntrans-63.5-18.8-178.123.1-34.3000113.9P203P203-P205 VanDerWaalsContact C-CD 3.46Å; P203-P205 WeakPolarHBondContact O-CD 3.42Å
206L63.8Low58Low136 Ų136119.1 Ų119.171%0.71267%0.674SS**THydrogen-bonded Turntrans-86.8-13.1-169.2-63.1177.3000114.8D204D204-L206 PolarHBondContact O-N 3.49Å; D204-L206 VanDerWaalsContact O-N 3.11Å
207K57.8Low56.8Low165 Ų165122 Ų12272%0.71768%0.684SS**THydrogen-bonded Turntrans-92.8-20.6179.2-72.6-162.6178.3-172.10114.6
208G59.5Low55.1Low73 Ų73127.7 Ų127.775%0.75370%0.7SS**SBendtrans-82-18.1177.900000114.5
209L53.7Low53.5Low141 Ų141125.8 Ų125.874%0.73870%0.696SS**SBendtrans-96.9-3.2-174.9-69.1174.1000114.3P211L209-P211 WeakPolarHBondContact O-CD 3.39Å
210I48.8Very low51.8Low126 Ų126128 Ų12865%0.64672%0.715SS**SBendtrans-94.5101173.3-52.5176.3000106.7
211P42.7Very low50Low94 Ų94132.6 Ų132.661%0.6172%0.724SS**  trans-54.3137.9168.822.7-31.8000108.6L209 N213L209-P211 WeakPolarHBondContact O-CD 3.39Å; P211-N213 VanDerWaalsContact C-N 3.32Å; P211-N213 PolarHBondContact O-N 2.81Å
212P51Low48.5Very low125 Ų125131.7 Ų131.781%0.81272%0.722SS**SBendtrans-70.193.8-178.528.9-32.7000108.1
213N36.9Very low46.6Very low123 Ų123132.5 Ų132.566%0.65873%0.726SS**  trans-155.5128.7170-105.9-33.3000110.2P211P211-N213 VanDerWaalsContact C-N 3.32Å; P211-N213 PolarHBondContact O-N 2.81Å
214F37.9Very low45.1Very low163 Ų163133.9 Ų133.972%0.71574%0.738SS**  trans76.767.1171.4-45.4-69.7000116.5D216F214-D216 PolarHBondContact O-N 3Å
215S38.5Very low43.4Very low120 Ų120137.3 Ų137.384%0.83976%0.756SS**  trans-73.590.7137.31600000106.5Q217S215-Q217 PolarHBondContact O-N 2.82Å
216D39.6Very low42.4Very low129 Ų129137.8 Ų137.869%0.6976%0.762SS**  trans-54.2119.4166.6-69.8-40.8000109F214 E218F214-D216 PolarHBondContact O-N 3Å; D216-E218 PolarHBondContact O-N 2.86Å; D216-E218 VanDerWaalsContact O-N 3.12Å
217Q33.5Very low40.7Very low190 Ų190139.3 Ų139.389%0.88877%0.771SS**  trans-60.9105.5157.3-78.7-178.9-8.700107.1S215S215-Q217 PolarHBondContact O-N 2.82Å
218E36.7Very low39.7Very low178 Ų178137.4 Ų137.483%0.83277%0.773SS**  trans-148.494.6151-118.3175.1-179.400111.3D216D216-E218 PolarHBondContact O-N 2.86Å; D216-E218 VanDerWaalsContact O-N 3.12Å
219T34Very low38.2Very low121 Ų121139.1 Ų139.174%0.74277%0.773SS**  trans16.7117.5147.153.80000118.3K221T219-K221 PolarHBondContact O-N 2.92Å; T219-K221 VanDerWaalsContact O-N 3.12Å
220S35.8Very low37.4Very low122 Ų122137.3 Ų137.385%0.85377%0.77SS**  trans-32110.414854.60000112.9
221K38.6Very low36.6Very low205 Ų205140 Ų14089%0.89178%0.78SS**  trans-128.495.5151.9-139.6172.5-174.6176.90108.9T219T219-K221 PolarHBondContact O-N 2.92Å; T219-K221 VanDerWaalsContact O-N 3.12Å
222E33.6Very low36.2Very low162 Ų162140.7 Ų140.776%0.75779%0.787SS**  trans-46.7141.7164.3-138.2-173122.900111.3
223N32.3Very low35.4Very low125 Ų125142.3 Ų142.367%0.66878%0.784SS**  trans76101.3157-52.7-32000117.8
224S37.3Very low35.3Very low118 Ų118142.3 Ų142.383%0.82579%0.788SS**  -168.6108.5127.1-74.80000110.5S226S224-S226 PolarHBondContact O-N 3.5Å
225D35.7Very low35.4Very low174 Ų174141.2 Ų141.293%0.9379%0.789SS**  trans-57.7110.6160.1-86-47.2000109.9
226S42Very low35.2Very low104 Ų104142.2 Ų142.273%0.72779%0.785SS**  trans-156.6107.7154.159.40000110.7S224 V228S224-S226 PolarHBondContact O-N 3.5Å; S226-V228 PolarHBondContact O-N 3Å
227N30Very low35.1Very low168 Ų168140.6 Ų140.690%0.89878%0.783SS**  trans-49.1116.6163.2-73.8-55.8000111.4
228V36.2Very low35.3Very low125 Ų125136.5 Ų136.576%0.75878%0.775SS**  trans-149.9104.1147.7178.60000108.4S226S226-V228 PolarHBondContact O-N 3Å
229S27.2Very low35.4Very low108 Ų108133.7 Ų133.776%0.75577%0.771SS**  trans-72135.3149.2-179.90000107.2
230P37.2Very low35.5Very low104 Ų104133.5 Ų133.568%0.67577%0.769SS**  -135.3132.895.836.1-23.2000113.1
231E32Very low35.5Very low181 Ų181134.9 Ų134.985%0.84677%0.766SS**  25.9133.2118.1-122168.9-179.300118.9
232S33.8Very low35.4Very low109 Ų109129.3 Ų129.376%0.76275%0.751SS**  trans89.5106.4174.3-1530000113
233Q35.8Very low35.3Very low160 Ų160126.7 Ų126.775%0.74875%0.746SS**  -142.2124.654.7-60.5-168.8-3.800111.2L235Q233-L235 PolarHBondContact O-N 3.05Å
234V34.6Very low35.9Very low122 Ų122128.7 Ų128.774%0.73975%0.749SS**  trans-56.996.4153178.80000105.6D236V234-D236 PolarHBondContact O-N 2.71Å
235L39.6Very low36Very low141 Ų141129.5 Ų129.574%0.73874%0.744SS**  trans-69.894.6158.9-77171.8000104.9Q233 S237Q233-L235 PolarHBondContact O-N 3.05Å; L235-S237 PolarHBondContact O-N 2.89Å
236D32.9Very low36.2Very low141 Ų141128.1 Ų128.175%0.75474%0.737SS**  trans-52.479.9157.7-80.1-33000107.7V234 S238V234-D236 PolarHBondContact O-N 2.71Å; D236-S238 PolarHBondContact O-N 2.85Å
237S38.6Very low36.1Very low95 Ų95128.5 Ų128.566%0.66473%0.734SS**  trans-72.880.4159.5-66.90000105.2L235 T239L235-S237 PolarHBondContact O-N 2.89Å; S237-T239 PolarHBondContact O-N 3.18Å; S237-T239 PolarHBondContact O-OG1 3.12Å
238S37.5Very low36.7Very low103 Ų103127.5 Ų127.572%0.7273%0.729SS**  trans-5773.9160.6-1760000107.5D236 V240D236-S238 PolarHBondContact O-N 2.85Å; S238-V240 VanDerWaalsContact C-N 3.29Å; S238-V240 PolarHBondContact O-N 3.36Å
239T38Very low36.7Very low120 Ų120126 Ų12674%0.73672%0.722SS**  trans-72.199.9167.3-450000103.2S237 L241S237-T239 PolarHBondContact O-N 3.18Å; S237-T239 PolarHBondContact O-OG1 3.12Å; T239-L241 VanDerWaalsContact C-N 3.32Å; T239-L241 PolarHBondContact O-N 3.14Å
240V37.4Very low37.5Very low117 Ų117129 Ų12971%0.70973%0.726SS**  trans-49.698.9176.9178.70000107.3S238S238-V240 VanDerWaalsContact C-N 3.29Å; S238-V240 PolarHBondContact O-N 3.36Å
241L34.8Very low37.6Very low151 Ų151130.7 Ų130.779%0.79173%0.73SS**  trans-57.7123.3161-83.9156.8000104.9T239 T243T239-L241 VanDerWaalsContact C-N 3.32Å; T239-L241 PolarHBondContact O-N 3.14Å; L241-T243 PolarHBondContact O-N 3.48Å
242P37.7Very low38.3Very low88 Ų88129 Ų12957%0.57173%0.725SS**  trans-58.4114.6176.522.9-30.7000107.3F244P242-F244 HydrophobicContact CG-CE2 4.06Å; P242-F244 HydrophobicContact CG-CZ 4.46Å; P242-F244 WeakPolarHBondContact O-CD2 3.21Å; P242-F244 PolarHBondContact O-N 2.89Å
243T31.3Very low38.7Very low106 Ų106131.3 Ų131.365%0.6573%0.729SS**  trans-60.5103.6169.4-42.50000106.5L241 D245L241-T243 PolarHBondContact O-N 3.48Å; T243-D245 HydrophobicContact CG2-CB 4.46Å; T243-D245 WeakPolarHBondContact CG2-OD1 3.36Å; T243-D245 WeakPolarHBondContact CG2-OD2 3.14Å; T243-D245 PolarHBondContact O-N 2.75Å
244F43.4Very low39.2Very low168 Ų168127.8 Ų127.874%0.73772%0.722SS**  trans-74.276.7165.6-71.1-83000107.4P242 N246P242-F244 HydrophobicContact CG-CE2 4.06Å; P242-F244 HydrophobicContact CG-CZ 4.46Å; P242-F244 WeakPolarHBondContact O-CD2 3.21Å; P242-F244 PolarHBondContact O-N 2.89Å; F244-N246 PolarHBondContact O-N 3.23Å
245D39.9Very low39.6Very low134 Ų134128.8 Ų128.872%0.71772%0.723SS**  trans-71.117.8172-79-31000112.9T243T243-D245 HydrophobicContact CG2-CB 4.46Å; T243-D245 WeakPolarHBondContact CG2-OD1 3.36Å; T243-D245 WeakPolarHBondContact CG2-OD2 3.14Å; T243-D245 PolarHBondContact O-N 2.75Å
246N40.9Very low39.6Very low146 Ų146130.5 Ų130.578%0.78173%0.725SS**  trans-119.750.6170.3-73-14.1000110.5F244 L248F244-N246 PolarHBondContact O-N 3.23Å; N246-L248 PolarHBondContact O-N 3.15Å
247V40Very low40Very low111 Ų111129.6 Ų129.667%0.67372%0.724SS**  trans-74.277.6149.9-175.50000106.3C249V247-C249 HydrophobicContact CG1-CB 4.19Å; V247-C249 WeakPolarHBondContact CG1-SG 3.41Å; V247-C249 PolarHBondContact O-N 3Å
248L40.9Very low40.1Very low148 Ų148132.3 Ų132.378%0.77577%0.767SS**  trans-6980.6150.2-77.4167.3000105.5N246 M250N246-L248 PolarHBondContact O-N 3.15Å; L248-M250 PolarHBondContact O-N 2.84Å
249C37.9Very low40.2Very low93 Ų93133.8 Ų133.863%0.62877%0.77SS**  trans-57.590.5150.4-89.20000105.3V247 D251V247-C249 HydrophobicContact CG1-CB 4.19Å; V247-C249 WeakPolarHBondContact CG1-SG 3.41Å; V247-C249 PolarHBondContact O-N 3Å; C249-D251 VanDerWaalsContact C-N 3.26Å; C249-D251 PolarHBondContact O-N 2.95Å; C249-D251 VanDerWaalsContact O-N 3.12Å
250M43.5Very low40.4Very low170 Ų170134.5 Ų134.584%0.83777%0.772SS**  trans-71.799.7155.4-76.2-173.664.800105.2L248L248-M250 PolarHBondContact O-N 2.84Å
251D39.8Very low40.5Very low141 Ų141135.4 Ų135.475%0.75478%0.775SS**  trans-51.2137.8168.8-79.3-44.2000109.7C249 D253C249-D251 VanDerWaalsContact C-N 3.26Å; C249-D251 PolarHBondContact O-N 2.95Å; C249-D251 VanDerWaalsContact O-N 3.12Å; D251-D253 PolarHBondContact O-N 3.16Å; D251-D253 VanDerWaalsContact O-N 3.15Å
252I45.8Very low40.9Very low146 Ų146134.5 Ų134.575%0.74977%0.774SS**  trans-74.299173.8-60156000106.3S254I252-S254 WeakPolarHBondContact CG2-OG 3.5Å; I252-S254 PolarHBondContact O-N 2.82Å
253D43.2Very low41.1Very low157 Ų157137.4 Ų137.484%0.8479%0.787SS**  trans-74.686.1152.4-73.9-22.3000107D251D251-D253 PolarHBondContact O-N 3.16Å; D251-D253 VanDerWaalsContact O-N 3.15Å
254S45.5Very low41.7Very low85 Ų85139.5 Ų139.559%0.59480%0.796SS**  trans-57.6143.3145.3-68.90000107.4I252I252-S254 WeakPolarHBondContact CG2-OG 3.5Å; I252-S254 PolarHBondContact O-N 2.82Å
255D42Very low41.6Very low143 Ų143137.5 Ų137.577%0.76580%0.8SS**  trans118129.3172.4-60.9-15.8000110.5
256F40.1Very low41.7Very low178 Ų178137.8 Ų137.878%0.78181%0.807SS**  cis-163154.120.1-150.1-115.1000109.6
257T41.2Very low41.8Very low121 Ų121137.1 Ų137.174%0.74281%0.809SS**  trans-39.5136.7170.349.30000115.9
258G41.5Very low42Very low152 Ų152139.5 Ų139.5100%1.56782%0.821SS**  trans-156.20154.800000108.7

Retrieved 258 of 258 residues in 373.3 ms (Link to these results)