A0A5K4F9I5_SCHMA Loading...

Mitochondrial fission regulator 2

AlphaFold DB , UniProt , Accession A0A5K4F9I5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 323 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
1M48.4Very low51.9Low234 Ų234166.1 Ų166.1100%1.15382%0.816SS**  0124.80-83.6-174.9141.700109.6
2K48Very low51.7Low200 Ų200171.2 Ų171.287%0.8782%0.82SS**  trans53.897152.6-59.5-178.6-179.3178.60119.9
3S47.4Very low51.8Low106 Ų106175.4 Ų175.474%0.74183%0.825SS**  trans-52.4160.4154.5-31.90000113.8
4N59.4Low51.8Low166 Ų166177.3 Ų177.389%0.88882%0.82SS**  -164.6126.3124.8-89.3-21.8000112.5
5K48.8Very low52Low185 Ų185171.1 Ų171.180%0.80482%0.823SS**  trans-116.7133.6-179.8-179.9175.7-173.1173.70105.5
6T59.5Low52.6Low125 Ų125169.3 Ų169.377%0.76781%0.811SS**  trans-138.5118.4170.4-39.10000110.3Y8T6-Y8 HydrophobicContact CG2-CD2 4.31Å
7Q50.1Low52.3Low159 Ų159167.8 Ų167.874%0.74381%0.808SS**  trans-90.7151.7166-66.8-156.7-11.100109.9
8Y51.4Low52.7Low215 Ų215170.6 Ų170.684%0.84382%0.816SS**  trans-161.8101.7151.1-98.7-80.7000107.2T6T6-Y8 HydrophobicContact CG2-CD2 4.31Å
9S55.9Low52.7Low81 Ų81175.2 Ų175.257%0.56682%0.824SS**  89.6118.580.493.90000115.2
10N45.9Very low52.9Low145 Ų145170 Ų17078%0.77582%0.819SS**  trans-31.1141.7167.3-61.1-70.5000118.4
11Y55.6Low53.3Low211 Ų211171.9 Ų171.983%0.82782%0.824SS**  trans-130107.9144.6-78.3-80000111
12R49.6Very low53.2Low227 Ų227171.5 Ų171.586%0.85781%0.81SS**  trans-76133.6161.5-74.1178.5178.1174.5-0.5108.3
13Y53.7Low53.8Low226 Ų226169.8 Ų169.889%0.88681%0.809SS**  trans-121.8131.2153.2-98.5-88.9000110.9
14R51.1Low54.1Low202 Ų202172.8 Ų172.876%0.76281%0.809SS**  trans-118.9107.4-164.9-178.5-169.8-173.8-149.47106.4
15G55.3Low54Low84 Ų84173.6 Ų173.687%0.86681%0.808SS**  trans-103.8112.6174.100000110.8
16K61.1Low54.1Low143 Ų143169.5 Ų169.562%0.62280%0.802SS**  trans-85.4141.6-177.2-68-176.2176.3176.60112.2
17N48.2Very low53.7Low144 Ų144168.4 Ų168.477%0.7780%0.795SS**  trans38.9129.3133.5-51-11000120
18K59.5Low54Low217 Ų217169.3 Ų169.394%0.94380%0.797SS**  -155.9118.8128-105166.9-168.7-171.40111.7
19R52.9Low54.2Low258 Ų258165 Ų16597%0.97479%0.789SS**  trans-76.6153170.7-87.2174.1162.1179.1-5.3110.7
20G55.3Low54Low71 Ų71168.6 Ų168.673%0.73280%0.801SS**  trans129.3138.6151.800000112.7
21K61.8Low53.8Low211 Ų211165.3 Ų165.392%0.91780%0.802SS**  cis-155154.6-4-82-168176.5-178.60107.4
22R46.3Very low53.7Low225 Ų225164.7 Ų164.785%0.84980%0.803SS**  trans-70.3142.1169.1-74.7162.6108.4176.75111.2
23L61Low53.7Low165 Ų165159.9 Ų159.986%0.86479%0.794SS**  trans-156.1101.6146.1-131.479.3000104.1
24K54.7Low53.4Low169 Ų169159.8 Ų159.874%0.73579%0.794SS**  44.910478.7-81.4-155.7175.3-170.40114.7
25E57.4Low53.5Low183 Ų183156.8 Ų156.886%0.85579%0.788SS**  trans161.1103.2133.8-89.8147.1-166.500107.9
26S49.8Very low53.6Low98 Ų98160 Ų16069%0.68579%0.785SS**  78.5110.678.8-161.70000114
27T51.5Low53.1Low103 Ų103159.6 Ų159.663%0.63279%0.79SS**  trans79.7128.1138.647.80000121.6
28K55.1Low53.4Low178 Ų178160.3 Ų160.377%0.77479%0.794SS**  trans77138.5148.1-64158.7-174.1179.80113.3
29N55.8Low53.1Low125 Ų125156.2 Ų156.267%0.66879%0.787SS**  cis172.7157.76.341.5-15.8000106.1
30N52.7Low53Low156 Ų156149.5 Ų149.583%0.83478%0.779SS**  trans78.7122.2159-61.6-11.7000118.9
31G41.6Very low52.7Low76 Ų76153.1 Ų153.178%0.78478%0.782SS**  trans-67.8158.1-172.400000115
32K52.7Low52.4Low197 Ų197148.2 Ų148.286%0.85777%0.77SS**  trans-161.9127.4155.5-112.6172.8-178.5-1790108.7
33L51Low52.7Low127 Ų127144 Ų14467%0.66577%0.769SS**  trans43.4112.2148.6-8981.9000118.4H35L33-H35 WeakPolarHBondContact CD2-NE2 3.47Å; L33-H35 PolarHBondContact O-N 3.22Å; L33-H35 VanDerWaalsContact O-N 3.1Å
34Y46.5Very low52.1Low224 Ų224143.9 Ų143.988%0.87877%0.769SS**  trans-59.6105147.7-70-87.3000109.4
35H53.4Low51.8Low139 Ų139141.3 Ų141.364%0.64477%0.773SS**  trans-105.1104.7154.4-82-65000107.6L33 N37L33-H35 WeakPolarHBondContact CD2-NE2 3.47Å; L33-H35 PolarHBondContact O-N 3.22Å; L33-H35 VanDerWaalsContact O-N 3.1Å; H35-N37 PolarHBondContact O-N 2.95Å
36N57.8Low51.9Low151 Ų151137.2 Ų137.281%0.80777%0.765SS**  trans-75.499165.8-86.3-9.7000108N38N36-N38 PolarHBondContact O-N 2.85Å
37N51Low52.3Low134 Ų134139.2 Ų139.272%0.71777%0.768SS**  trans-78.593.3165.8-68.1-24.4000108.3H35 T39H35-N37 PolarHBondContact O-N 2.95Å; N37-T39 VanDerWaalsContact C-N 3.32Å; N37-T39 PolarHBondContact O-N 2.78Å; N37-T39 VanDerWaalsContact O-N 3.14Å
38N53.4Low52.6Low160 Ų160141.8 Ų141.886%0.85677%0.772SS**  trans-69.899.2152.8-91.3-7.5000106.6N36 S40N36-N38 PolarHBondContact O-N 2.85Å; N38-S40 PolarHBondContact O-N 2.73Å; N38-S40 VanDerWaalsContact O-N 3.14Å
39T52.4Low52.7Low131 Ų131140.9 Ų140.980%0.80477%0.771SS**  trans-67.9103.8171.951.50000108.4N37 D41N37-T39 VanDerWaalsContact C-N 3.32Å; N37-T39 PolarHBondContact O-N 2.78Å; N37-T39 VanDerWaalsContact O-N 3.14Å; T39-D41 PolarHBondContact O-N 2.73Å
40S52.3Low52.9Low116 Ų116143.7 Ų143.781%0.81178%0.777SS**  trans-65.1118.2165.245.20000109.8N38N38-S40 PolarHBondContact O-N 2.73Å; N38-S40 VanDerWaalsContact O-N 3.14Å
41D49.1Very low53.6Low148 Ų148142.9 Ų142.979%0.79177%0.768SS**  trans-107.2103164.1-142.7-11.9000108.8T39T39-D41 PolarHBondContact O-N 2.73Å
42T54.2Low55.3Low107 Ų107142.9 Ų142.966%0.65676%0.756SS**  trans17.9141.2149.365.80000122.3
43T53.3Low56.8Low136 Ų136136.7 Ų136.783%0.83474%0.738SS**  trans88.282.8156.172.10000119
44D48Very low58.6Low163 Ų163134.5 Ų134.587%0.87273%0.733SS**  179.3117.5108.2-159.1-2.3000108.3
45S49.8Very low60.8Low115 Ų115132.7 Ų132.780%0.80472%0.724SS**  trans-119.394.5-162.2164.60000109.6
46S58.1Low62.7Low98 Ų98129 Ų12969%0.68571%0.714SS**SBendtrans-164.7-22.8155.8350000116.9
47D58.9Low64.5Low140 Ų140126.6 Ų126.675%0.74970%0.701SS**SBendtrans-103.4-8.4-169-77.4-26.5000117.3H49D47-H49 VanDerWaalsContact C-N 3.34Å; D47-H49 PolarHBondContact O-N 2.94Å
48E57.7Low66.6Low156 Ų156126.3 Ų126.373%0.72969%0.69SS**THydrogen-bonded Turntrans-82.1-1-174.6-74.3-65.513600115.4
49H56.9Low68.7Low160 Ų160122.3 Ų122.374%0.74167%0.668SS**Hα-helixtrans-78.3-25.2-171.2-139.5-73.4000114.1D47D47-H49 VanDerWaalsContact C-N 3.34Å; D47-H49 PolarHBondContact O-N 2.94Å
50F60.2Low70.8Confident183 Ų183119 Ų11980%0.80365%0.65SS**Hα-helixtrans-78.2-38.5-176.6-83.5-81.5000113.5
51H68.3Low72.9Confident139 Ų139117.8 Ų117.864%0.64463%0.632SS**Hα-helixtrans-74.7-30.4179.6-69.2-57.3000112.9S53 S54 R55H51-S53 VanDerWaalsContact C-N 3.35Å; H51-S53 PolarHBondContact O-N 2.85Å; H51-S54 PolarHBondContact O-N 3.04Å; H51-R55 WeakPolarHBondContact O-CB 3.32Å; H51-R55 PolarHBondContact O-N 3.31Å
52S76.9Confident75.3Confident77 Ų77114 Ų11454%0.53861%0.611SS.*Hα-helixtrans-60.3-42177.1-174.50000112.1R55 S56S52-R55 PolarHBondContact O-N 2.94Å; S52-S56 VanDerWaalsContact O-CB 3.24Å; S52-S56 WeakPolarHBondContact O-CB 3.47Å; S52-S56 PolarHBondContact O-N 3.49Å
53S84.3Confident77.3Confident66 Ų66114.4 Ų114.446%0.46261%0.606SS.*Hα-helixtrans-65.1-46178.3-177.60000112.4H51 R55 S56 N57H51-S53 VanDerWaalsContact C-N 3.35Å; H51-S53 PolarHBondContact O-N 2.85Å; S53-R55 VanDerWaalsContact C-N 3.33Å; S53-R55 PolarHBondContact O-N 3.25Å; S53-S56 PolarHBondContact O-N 3.12Å; S53-N57 WeakPolarHBondContact O-CB 3.35Å; S53-N57 VanDerWaalsContact O-CG 3.25Å; S53-N57 PolarHBondContact O-N 3.12Å; S53-N57 PolarHBondContact O-ND2 3.36Å
54S89.2Confident79.4Confident81 Ų81110.9 Ų110.957%0.56659%0.591SS**Hα-helixtrans-62.4-40.5177.5-68.60000112.1H51 R58H51-S54 PolarHBondContact O-N 3.04Å; S54-R58 WeakPolarHBondContact O-CB 3.5Å; S54-R58 PolarHBondContact O-N 3.12Å; S54-R58 VanDerWaalsContact O-N 3.08Å
55R91.5Very high81.8Confident186 Ų186107.3 Ų107.370%0.70257%0.569SS**Hα-helixtrans-67.1-41.8175.2-173.7176.4178.4164.2-0.4111.8H51 S52 S53 R58 I59H51-R55 WeakPolarHBondContact O-CB 3.32Å; H51-R55 PolarHBondContact O-N 3.31Å; S52-R55 PolarHBondContact O-N 2.94Å; S53-R55 VanDerWaalsContact C-N 3.33Å; S53-R55 PolarHBondContact O-N 3.25Å; R55-R58 PolarHBondContact O-N 3.31Å; R55-I59 HydrophobicContact CG-CD1 4.01Å; R55-I59 VanDerWaalsContact O-CG1 3.26Å; R55-I59 WeakPolarHBondContact O-CG1 3.32Å; R55-I59 PolarHBondContact O-N 3.07Å
56S93Very high84.1Confident61 Ų61106 Ų10643%0.42755%0.551SS.*Hα-helixtrans-60.5-48.8176.6-171.10000111.2S52 S53 R58 I59 S60S52-S56 VanDerWaalsContact O-CB 3.24Å; S52-S56 WeakPolarHBondContact O-CB 3.47Å; S52-S56 PolarHBondContact O-N 3.49Å; S53-S56 PolarHBondContact O-N 3.12Å; S56-R58 VanDerWaalsContact C-N 3.29Å; S56-R58 PolarHBondContact O-N 2.84Å; S56-I59 WeakPolarHBondContact O-CB 3.45Å; S56-I59 PolarHBondContact O-N 2.82Å; S56-I59 VanDerWaalsContact O-N 3.08Å; S56-S60 PolarHBondContact O-N 2.92Å; S56-S60 PolarHBondContact O-OG 3.3Å
57N95.4Very high86.1Confident101 Ų101104.6 Ų104.654%0.5454%0.542SS..Hα-helixtrans-58.4-41.5175.9-69.1-25.7000112.1S53 S60 Q61S53-N57 WeakPolarHBondContact O-CB 3.35Å; S53-N57 VanDerWaalsContact O-CG 3.25Å; S53-N57 PolarHBondContact O-N 3.12Å; S53-N57 PolarHBondContact O-ND2 3.36Å; N57-S60 PolarHBondContact O-N 3.01Å; N57-Q61 PolarHBondContact O-N 3.04Å
58R96.6Very high87.9Confident128 Ų128104.5 Ų104.548%0.48353%0.531SS..Hα-helixtrans-65-40.4176.1-176.757.3174.81703112.1S54 R55 S56 Q61 L62S54-R58 WeakPolarHBondContact O-CB 3.5Å; S54-R58 PolarHBondContact O-N 3.12Å; S54-R58 VanDerWaalsContact O-N 3.08Å; R55-R58 PolarHBondContact O-N 3.31Å; S56-R58 VanDerWaalsContact C-N 3.29Å; S56-R58 PolarHBondContact O-N 2.84Å; R58-Q61 PolarHBondContact O-N 3.37Å; R58-L62 HydrophobicContact CG-CD1 4.34Å; R58-L62 VanDerWaalsContact O-CG 3.29Å; R58-L62 WeakPolarHBondContact O-CG 3.44Å; R58-L62 PolarHBondContact O-N 3.46Å; R58-L62 VanDerWaalsContact O-N 3.09Å
59I95.6Very high89.9Confident77 Ų77101.1 Ų101.140%0.39552%0.518SS..Hα-helixtrans-62.4-48.6175.3-68.9162.8000109.9R55 S56 Q61 L62 E63R55-I59 HydrophobicContact CG-CD1 4.01Å; R55-I59 VanDerWaalsContact O-CG1 3.26Å; R55-I59 WeakPolarHBondContact O-CG1 3.32Å; R55-I59 PolarHBondContact O-N 3.07Å; S56-I59 WeakPolarHBondContact O-CB 3.45Å; S56-I59 PolarHBondContact O-N 2.82Å; S56-I59 VanDerWaalsContact O-N 3.08Å; I59-Q61 VanDerWaalsContact C-N 3.31Å; I59-Q61 PolarHBondContact O-N 2.94Å; I59-L62 PolarHBondContact O-N 2.97Å; I59-L62 VanDerWaalsContact O-N 3.1Å; I59-E63 HydrophobicContact CG2-CG 4.29Å; I59-E63 WeakPolarHBondContact O-CG 3.41Å; I59-E63 PolarHBondContact O-N 3.26Å
60S97Very high91.8Very high60 Ų60101.9 Ų101.942%0.4251%0.514SS..Hα-helixtrans-59.5-39177.9-580000113S56 N57 E63 A64S56-S60 PolarHBondContact O-N 2.92Å; S56-S60 PolarHBondContact O-OG 3.3Å; N57-S60 PolarHBondContact O-N 3.01Å; S60-E63 PolarHBondContact O-N 2.76Å; S60-A64 PolarHBondContact O-N 2.84Å
61Q97.8Very high93.6Very high92 Ų9296.9 Ų96.943%0.4350%0.502SS..Hα-helixtrans-61.3-47173.7-176.9-173.22.200111.7N57 R58 I59 E63 A64 E65N57-Q61 PolarHBondContact O-N 3.04Å; R58-Q61 PolarHBondContact O-N 3.37Å; I59-Q61 VanDerWaalsContact C-N 3.31Å; I59-Q61 PolarHBondContact O-N 2.94Å; Q61-E63 VanDerWaalsContact C-N 3.33Å; Q61-E63 PolarHBondContact O-N 3.4Å; Q61-A64 PolarHBondContact O-N 3.35Å; Q61-E65 PolarHBondContact NE2-OE1 2.94Å; Q61-E65 PolarHBondContact O-N 3.48Å
62L98.4Very high95.1Very high69 Ų6994.7 Ų94.736%0.36149%0.492SS..Hα-helixtrans-65.3-37.1179.3-68.5171.9000111.7R58 I59 E65 I66R58-L62 HydrophobicContact CG-CD1 4.34Å; R58-L62 VanDerWaalsContact O-CG 3.29Å; R58-L62 WeakPolarHBondContact O-CG 3.44Å; R58-L62 PolarHBondContact O-N 3.46Å; R58-L62 VanDerWaalsContact O-N 3.09Å; I59-L62 PolarHBondContact O-N 2.97Å; I59-L62 VanDerWaalsContact O-N 3.1Å; L62-E65 PolarHBondContact O-N 3.08Å; L62-I66 WeakPolarHBondContact O-CB 3.43Å; L62-I66 VanDerWaalsContact O-CG1 3.24Å; L62-I66 WeakPolarHBondContact O-CG1 3.35Å; L62-I66 PolarHBondContact O-N 3.05Å
63E96.9Very high96.1Very high114 Ų11496 Ų9653%0.53349%0.492SS..Hα-helixtrans-63-40.2174.7-72.7174.8168.400112.1I59 S60 Q61 S67I59-E63 HydrophobicContact CG2-CG 4.29Å; I59-E63 WeakPolarHBondContact O-CG 3.41Å; I59-E63 PolarHBondContact O-N 3.26Å; S60-E63 PolarHBondContact O-N 2.76Å; Q61-E63 VanDerWaalsContact C-N 3.33Å; Q61-E63 PolarHBondContact O-N 3.4Å; E63-S67 WeakPolarHBondContact O-CB 3.37Å; E63-S67 PolarHBondContact O-N 3.37Å; E63-S67 PolarHBondContact O-OG 2.95Å
64A97.7Very high96.7Very high63 Ų6395.3 Ų95.352%0.52149%0.49SS..Hα-helixtrans-65.1-44.3174.400000112S60 Q61 S67 R68S60-A64 PolarHBondContact O-N 2.84Å; Q61-A64 PolarHBondContact O-N 3.35Å; A64-S67 PolarHBondContact O-N 3.37Å; A64-R68 PolarHBondContact O-N 3.2Å
65E98.2Very high97Very high88 Ų8898.1 Ų98.141%0.41149%0.494SS..Hα-helixtrans-63.9-43.5176.5-73.6179.4-154.300112.2Q61 L62 S67 R68 L69Q61-E65 PolarHBondContact NE2-OE1 2.94Å; Q61-E65 PolarHBondContact O-N 3.48Å; L62-E65 PolarHBondContact O-N 3.08Å; E65-S67 VanDerWaalsContact C-N 3.33Å; E65-S67 PolarHBondContact O-N 2.89Å; E65-R68 WeakPolarHBondContact O-CB 3.43Å; E65-R68 PolarHBondContact O-N 2.86Å; E65-L69 WeakPolarHBondContact O-CG 3.37Å; E65-L69 PolarHBondContact O-N 2.89Å
66I98.3Very high97.3Very high86 Ų8694.3 Ų94.344%0.44149%0.487SS..Hα-helixtrans-62.4-41.3175.6-71.3167.4000110.7L62 L69 R70L62-I66 WeakPolarHBondContact O-CB 3.43Å; L62-I66 VanDerWaalsContact O-CG1 3.24Å; L62-I66 WeakPolarHBondContact O-CG1 3.35Å; L62-I66 PolarHBondContact O-N 3.05Å; I66-L69 PolarHBondContact O-N 3.27Å; I66-R70 HydrophobicContact CG2-CG 4.39Å; I66-R70 WeakPolarHBondContact O-CB 3.24Å; I66-R70 VanDerWaalsContact O-CG 3.29Å; I66-R70 WeakPolarHBondContact O-CG 3.29Å; I66-R70 PolarHBondContact O-N 3.46Å
67S98.3Very high97.4Very high70 Ų7095.1 Ų95.149%0.4949%0.486SS..Hα-helixtrans-63.5-41.4176.8-61.20000111.7E63 A64 E65 R70 S71E63-S67 WeakPolarHBondContact O-CB 3.37Å; E63-S67 PolarHBondContact O-N 3.37Å; E63-S67 PolarHBondContact O-OG 2.95Å; A64-S67 PolarHBondContact O-N 3.37Å; E65-S67 VanDerWaalsContact C-N 3.33Å; E65-S67 PolarHBondContact O-N 2.89Å; S67-R70 PolarHBondContact O-N 2.95Å; S67-S71 PolarHBondContact O-N 3.33Å
68R98.3Very high97.2Very high138 Ų13893.7 Ų93.752%0.52148%0.484SS..Hα-helixtrans-59.5-48.4173.7-167.5-173.477.875.54.5111.6A64 E65 S71 Q72A64-R68 PolarHBondContact O-N 3.2Å; E65-R68 WeakPolarHBondContact O-CB 3.43Å; E65-R68 PolarHBondContact O-N 2.86Å; R68-S71 PolarHBondContact O-N 3.03Å; R68-Q72 VanDerWaalsContact NH1-CD 3.26Å; R68-Q72 VanDerWaalsContact NH1-NE2 3.12Å; R68-Q72 VanDerWaalsContact NH1-OE1 3.11Å; R68-Q72 WeakPolarHBondContact O-CG 3.36Å; R68-Q72 PolarHBondContact O-N 2.96Å
69L98.7Very high96.9Very high85 Ų8590.6 Ų90.645%0.44549%0.485SS..Hα-helixtrans-64-40.8178.7-69.7174.9000112.1E65 I66 S71 Q72 I73E65-L69 WeakPolarHBondContact O-CG 3.37Å; E65-L69 PolarHBondContact O-N 2.89Å; I66-L69 PolarHBondContact O-N 3.27Å; L69-S71 VanDerWaalsContact C-N 3.33Å; L69-S71 PolarHBondContact O-N 3Å; L69-Q72 PolarHBondContact O-N 3.46Å; L69-I73 WeakPolarHBondContact O-CG1 3.35Å; L69-I73 PolarHBondContact O-N 2.9Å
70R98Very high96.6Very high176 Ų17692.2 Ų92.266%0.66449%0.491SS*.Hα-helixtrans-60.6-42175.2-76.8175.7174.2-178.8-0.7111.9I66 S67 I73 A74I66-R70 HydrophobicContact CG2-CG 4.39Å; I66-R70 WeakPolarHBondContact O-CB 3.24Å; I66-R70 VanDerWaalsContact O-CG 3.29Å; I66-R70 WeakPolarHBondContact O-CG 3.29Å; I66-R70 PolarHBondContact O-N 3.46Å; S67-R70 PolarHBondContact O-N 2.95Å; R70-I73 PolarHBondContact O-N 3.35Å; R70-A74 WeakPolarHBondContact O-CB 3.41Å; R70-A74 PolarHBondContact O-N 2.95Å
71S98Very high95.9Very high78 Ų7896.3 Ų96.355%0.54550%0.504SS..Hα-helixtrans-63.8-42.4175.3177.60000112.2S67 R68 L69 A74 Q75S67-S71 PolarHBondContact O-N 3.33Å; R68-S71 PolarHBondContact O-N 3.03Å; L69-S71 VanDerWaalsContact C-N 3.33Å; L69-S71 PolarHBondContact O-N 3Å; S71-A74 PolarHBondContact O-N 2.82Å; S71-Q75 WeakPolarHBondContact O-CB 3.3Å; S71-Q75 PolarHBondContact O-N 3.03Å
72Q98.3Very high94.6Very high93 Ų9399 Ų9944%0.43552%0.52SS..Hα-helixtrans-62.7-43.2176.2-70.3-174.2-55.200112.5R68 L69 Q75 L76R68-Q72 VanDerWaalsContact NH1-CD 3.26Å; R68-Q72 VanDerWaalsContact NH1-NE2 3.12Å; R68-Q72 VanDerWaalsContact NH1-OE1 3.11Å; R68-Q72 WeakPolarHBondContact O-CG 3.36Å; R68-Q72 PolarHBondContact O-N 2.96Å; L69-Q72 PolarHBondContact O-N 3.46Å; Q72-Q75 PolarHBondContact O-N 3.25Å; Q72-L76 PolarHBondContact O-N 3.39Å
73I97.8Very high92.8Very high104 Ų10498.3 Ų98.353%0.53353%0.53SS..Hα-helixtrans-64.5-44.7176.6-67.7167.2000110.3L69 R70 Q75 L76 I77L69-I73 WeakPolarHBondContact O-CG1 3.35Å; L69-I73 PolarHBondContact O-N 2.9Å; R70-I73 PolarHBondContact O-N 3.35Å; I73-Q75 VanDerWaalsContact C-N 3.3Å; I73-Q75 PolarHBondContact O-N 3.13Å; I73-L76 PolarHBondContact O-N 3.09Å; I73-I77 HydrophobicContact CG2-CD1 3.73Å; I73-I77 HydrophobicContact CG2-CG1 4.35Å; I73-I77 WeakPolarHBondContact O-CG1 3.19Å; I73-I77 PolarHBondContact O-N 3.33Å
74A97.6Very high90.6Very high51 Ų51101.2 Ų101.242%0.42154%0.544SS..Hα-helixtrans-59-42.3176.600000111.6R70 S71 L76 I77 S78R70-A74 WeakPolarHBondContact O-CB 3.41Å; R70-A74 PolarHBondContact O-N 2.95Å; S71-A74 PolarHBondContact O-N 2.82Å; A74-L76 PolarHBondContact O-N 3.1Å; A74-I77 PolarHBondContact O-N 3.41Å; A74-S78 WeakPolarHBondContact O-CB 3.3Å; A74-S78 PolarHBondContact O-N 2.89Å; A74-S78 PolarHBondContact O-OG 3.48Å; A74-S78 VanDerWaalsContact O-OG 3.08Å
75Q96.3Very high88.2Confident141 Ų141103 Ų10366%0.65955%0.553SS**Hα-helixtrans-62.5-41.5176-171.8177.520.900112.5S71 Q72 I73 S78 A79S71-Q75 WeakPolarHBondContact O-CB 3.3Å; S71-Q75 PolarHBondContact O-N 3.03Å; Q72-Q75 PolarHBondContact O-N 3.25Å; I73-Q75 VanDerWaalsContact C-N 3.3Å; I73-Q75 PolarHBondContact O-N 3.13Å; Q75-S78 PolarHBondContact O-N 2.94Å; Q75-A79 WeakPolarHBondContact O-CB 3.28Å; Q75-A79 PolarHBondContact O-N 2.7Å
76L96.2Very high85.6Confident106 Ų106104 Ų10456%0.55557%0.569SS**Hα-helixtrans-65.9-43.1177.4-171.571.9000111.6Q72 I73 A74 A79 Q80Q72-L76 PolarHBondContact O-N 3.39Å; I73-L76 PolarHBondContact O-N 3.09Å; A74-L76 PolarHBondContact O-N 3.1Å; L76-A79 PolarHBondContact O-N 2.98Å; L76-Q80 WeakPolarHBondContact O-CG 3.4Å; L76-Q80 PolarHBondContact O-N 3.45Å
77I95.9Very high83.1Confident77 Ų77106.2 Ų106.240%0.39559%0.587SS.*Hα-helixtrans-62.5-47.6176.3-67.4169.3000109.9I73 A74 A79 Q80 E81I73-I77 HydrophobicContact CG2-CD1 3.73Å; I73-I77 HydrophobicContact CG2-CG1 4.35Å; I73-I77 WeakPolarHBondContact O-CG1 3.19Å; I73-I77 PolarHBondContact O-N 3.33Å; A74-I77 PolarHBondContact O-N 3.41Å; I77-A79 VanDerWaalsContact C-N 3.3Å; I77-A79 PolarHBondContact O-N 3Å; I77-Q80 PolarHBondContact O-N 3.06Å; I77-Q80 VanDerWaalsContact O-N 3.12Å; I77-E81 HydrophobicContact CG2-CG 4.31Å; I77-E81 WeakPolarHBondContact O-CG 3.46Å; I77-E81 PolarHBondContact O-N 2.78Å
78S92.2Very high80.5Confident71 Ų71107.7 Ų107.750%0.49760%0.596SS.*Hα-helixtrans-62-36.3176.7-620000112.7A74 Q75 L82A74-S78 WeakPolarHBondContact O-CB 3.3Å; A74-S78 PolarHBondContact O-N 2.89Å; A74-S78 PolarHBondContact O-OG 3.48Å; A74-S78 VanDerWaalsContact O-OG 3.08Å; Q75-S78 PolarHBondContact O-N 2.94Å; S78-L82 PolarHBondContact O-N 3.28Å; S78-L82 VanDerWaalsContact O-N 3.12Å
79A88.7Confident77.8Confident63 Ų63108.7 Ų108.752%0.52161%0.611SS.*Hα-helixtrans-68.7-33.517500000112.6Q75 L76 I77 G83Q75-A79 WeakPolarHBondContact O-CB 3.28Å; Q75-A79 PolarHBondContact O-N 2.7Å; L76-A79 PolarHBondContact O-N 2.98Å; I77-A79 VanDerWaalsContact C-N 3.3Å; I77-A79 PolarHBondContact O-N 3Å; A79-G83 PolarHBondContact O-N 3.21Å
80Q89.7Confident75.6Confident111 Ų111111.8 Ų111.852%0.51963%0.628SS.*Hα-helixtrans-72.5-43.8174.4-73.6175-17.500111.6L76 I77 L82 G83 E84L76-Q80 WeakPolarHBondContact O-CG 3.4Å; L76-Q80 PolarHBondContact O-N 3.45Å; I77-Q80 PolarHBondContact O-N 3.06Å; I77-Q80 VanDerWaalsContact O-N 3.12Å; Q80-L82 VanDerWaalsContact C-N 3.25Å; Q80-L82 PolarHBondContact O-N 2.88Å; Q80-G83 PolarHBondContact O-N 3.44Å; Q80-G83 VanDerWaalsContact O-N 3.12Å; Q80-E84 PolarHBondContact O-N 3.43Å
81E81.7Confident72.8Confident146 Ų146106.9 Ų106.968%0.68263%0.632SS**Hα-helixtrans-62.6-30.6177.1-73.3179.4176.100112.6I77I77-E81 HydrophobicContact CG2-CG 4.31Å; I77-E81 WeakPolarHBondContact O-CG 3.46Å; I77-E81 PolarHBondContact O-N 2.78Å
82L71Confident70.5Confident149 Ų149115 Ų11578%0.7865%0.65SS**Hα-helixtrans-85.4-25.8173.5-124.474.9000113.5S78 Q80S78-L82 PolarHBondContact O-N 3.28Å; S78-L82 VanDerWaalsContact O-N 3.12Å; Q80-L82 VanDerWaalsContact C-N 3.25Å; Q80-L82 PolarHBondContact O-N 2.88Å
83G61.2Low68.1Low55 Ų55118.2 Ų118.257%0.56767%0.671SS**Hα-helixtrans-87.3-19.1-174.800000115.2A79 Q80 S85A79-G83 PolarHBondContact O-N 3.21Å; Q80-G83 PolarHBondContact O-N 3.44Å; Q80-G83 VanDerWaalsContact O-N 3.12Å; G83-S85 VanDerWaalsContact C-N 3.31Å; G83-S85 PolarHBondContact O-N 3.22Å
84E51.5Low65.6Low174 Ų174123.5 Ų123.581%0.81368%0.684SS**SBendtrans-92.659.7174.1-61.9-153.5169.800111.5Q80Q80-E84 PolarHBondContact O-N 3.43Å
85S46.6Very low63.4Low102 Ų102129.7 Ų129.771%0.71370%0.702SS**  trans-150.138167.459.70000112.8G83G83-S85 VanDerWaalsContact C-N 3.31Å; G83-S85 PolarHBondContact O-N 3.22Å
86S44.2Very low61.3Low107 Ų107128.2 Ų128.275%0.74870%0.704SS**  trans-144.460.7169.5-155.20000112.2
87T44Very low59.1Low134 Ų134132.1 Ų132.182%0.82272%0.719SS**  trans-96.298.8141.855.20000105.8D89T87-D89 PolarHBondContact O-N 2.91Å
88C45.4Very low56.8Low100 Ų100139.9 Ų139.968%0.67674%0.744SS**  trans-56.593.7163.146.20000108.6L90C88-L90 HydrophobicContact CB-CD1 4.27Å; C88-L90 HydrophobicContact CB-CG 4.31Å; C88-L90 PolarHBondContact O-N 3.34Å
89D41.6Very low55.1Low159 Ų159141.6 Ų141.685%0.8575%0.753SS**  trans-7470.3162.3-162.25.4000107.5T87T87-D89 PolarHBondContact O-N 2.91Å
90L52.2Low53.1Low151 Ų151146.1 Ų146.179%0.79177%0.768SS**  trans-95.2102.3170.2-77.9171.7000107.6C88C88-L90 HydrophobicContact CB-CD1 4.27Å; C88-L90 HydrophobicContact CB-CG 4.31Å; C88-L90 PolarHBondContact O-N 3.34Å
91G39.2Very low51.7Low72 Ų72145.6 Ų145.674%0.74278%0.783SS**  trans55.688.2142.500000116.5
92R48.2Very low50.5Low248 Ų248146.1 Ų146.194%0.93679%0.791SS**  trans-128.943.1159.1-153.4171.6-176.8174.40.4112.8
93D48Very low50.1Low162 Ų162142.7 Ų142.787%0.86679%0.792SS**  trans-83.5119146-85.7-30.7000107.1
94R45.2Very low49.7Very low214 Ų214149.2 Ų149.281%0.80881%0.807SS**  trans150.290.1151.3-168.3168.9-73.8-128.91.5113.7
95F52.1Low49.9Very low182 Ų182147 Ų14780%0.79881%0.811SS**  trans69.6156.5147.3-58.4-58.7000121.2
96P52.2Low50Low109 Ų109149.2 Ų149.271%0.70882%0.815SS**  -136.9169.1-55.537.1-19.8000113.1
97H49.3Very low50.3Low188 Ų188150.1 Ų150.187%0.8782%0.816SS**  trans7.1126.9155.2-91.8-73.5000119.2
98R48.6Very low50.5Low241 Ų241148.1 Ų148.191%0.90981%0.813SS**  trans-128.2130.2149.9-149170.5-173.4-168.80.9109.5
99P55.7Low50.6Low107 Ų107151.1 Ų151.170%0.69582%0.821SS**  trans-84.9170.7-16736.1-35.8000112.4
100D47.3Very low50.8Low157 Ų157148 Ų14884%0.8482%0.817SS**  trans-43.9141.2-179.1-50.6-69.9000114.7
101A59.7Low50.6Low101 Ų101144.7 Ų144.784%0.83581%0.811SS**  trans-136.992.4165.500000108.6
102D57.3Low51Low156 Ų156148.2 Ų148.283%0.83482%0.819SS**  trans-65.7145.915451.5-20000110.8
103G61.9Low50.8Low78 Ų78140 Ų14080%0.80481%0.812SS**  trans168.976.9178.500000113.9
104E52.7Low50.7Low191 Ų191138 Ų13889%0.89381%0.81SS**  trans-58.2149.3162.9-61.4170.6130.200111
105S57Low51.1Low128 Ų128133.7 Ų133.790%0.89581%0.81SS**  trans-177.2135.8136.1-78.70000112
106D48.8Very low50.6Low149 Ų149130.1 Ų130.180%0.79781%0.807SS**  trans-76174-172.1-76.9-51.9000116.7
107T50.3Low50.1Low126 Ų126132 Ų13277%0.77381%0.811SS**  trans90.3112.9141.660.30000121.2
108A47.4Very low50.3Low92 Ų92131.8 Ų131.876%0.7681%0.813SS**  trans64.3150.5130.500000117.2
109I47.7Very low49.9Very low163 Ų163128.3 Ų128.384%0.83681%0.806SS**  cis-164.7144.535.8-22.5-177.6000107.9
110A46.4Very low49.7Very low92 Ų92131 Ų13176%0.7681%0.81SS**  trans13.6154.6149.400000125
111A48.1Very low49.8Very low82 Ų82129.8 Ų129.868%0.67880%0.803SS**  trans96.596.5136.500000117.4
112T47.6Very low49.2Very low146 Ų146132.6 Ų132.690%0.89680%0.799SS**  77.9121.496.452.50000116.1
113G44Very low48.9Very low77 Ų77131.8 Ų131.879%0.79480%0.8SS**  trans139.9104.8152.400000116.5
114S45.5Very low48.1Very low119 Ų119137.1 Ų137.183%0.83280%0.801SS**  trans-116.5-178.8151.1-50.40000107
115P54Low47.9Very low123 Ų123137.5 Ų137.580%0.79980%0.8SS**  cis-140.7-159.5-3.536.1-12.8000113.2
116S42.2Very low47.4Very low107 Ų107138.6 Ų138.675%0.74880%0.795SS**  trans111.2108148.5-156.50000116.4
117L40.7Very low47.7Very low150 Ų150139.3 Ų139.379%0.78580%0.8SS**  83.2113.575-136.1-178.8000113.4
118M53Low47.5Very low183 Ų183140.8 Ų140.890%0.90180%0.802SS**  trans-154.8128.4156-140.8149.984.300111.8
119E39.9Very low47.6Very low167 Ų167144 Ų14478%0.7881%0.806SS**  trans-84.1164.1177.1-68.5-173.3134.200112.9
120H53.4Low47.6Very low165 Ų165141.5 Ų141.576%0.76480%0.803SS**  trans-169121.4139.4-98.6-64.8000112.6
121D48.4Very low47.4Very low131 Ų131146 Ų14670%0.70181%0.808SS**  29.3156.1125.7-61.5-32.5000121.5
122E47.9Very low47.1Very low160 Ų160146.9 Ų146.975%0.74881%0.81SS**  cis-176.9171-10.3-96.1-119.5135.600105.4
123T50Low47.1Very low138 Ų138147.2 Ų147.285%0.84780%0.804SS**  trans119.1125.3149.471.30000120.7
124K45Very low47.2Very low190 Ų190148.6 Ų148.683%0.82680%0.799SS**  trans-63.3161.7177.6-79.3165.2163.6171.80115
125F49.4Very low46.9Very low200 Ų200148.8 Ų148.888%0.87780%0.801SS**  -175.6126.9117.3-101.3-76.1000111.9
126N44.8Very low46.3Very low150 Ų150147 Ų14780%0.80280%0.796SS**  trans-88.6148.9170.1-84.1-23.3000110
127N56.8Low46.3Very low165 Ų165146.3 Ų146.388%0.88279%0.791SS**  trans-153.2125153.9-83.1-40.7000111.2
128N44.6Very low46.3Very low156 Ų156147.7 Ų147.783%0.83480%0.798SS**  trans-107.7133.8165.8-83.1-56000107.9
129L51.3Low45.9Very low161 Ų161145.7 Ų145.784%0.84379%0.79SS**  trans176.2106.7148.8-121.579.9000105.5
130S47.3Very low46.3Very low109 Ų109142.8 Ų142.876%0.76279%0.788SS**  62.2132.389.2-51.10000113.5
131E42.1Very low45.9Very low187 Ų187140.3 Ų140.387%0.87479%0.785SS**  trans108.394.8169.5-141.9150.4-14900113.1
132S42.3Very low46.1Very low101 Ų101138.8 Ų138.871%0.70678%0.784SS**  71.4116.290-153.60000109.5
133I46.2Very low46.2Very low153 Ų153138 Ų13879%0.78579%0.785SS**  cis-145.4-11927.1-51159.3000107.9
134P46.5Very low46.4Very low105 Ų105138.9 Ų138.968%0.68278%0.782SS**SBendtrans-71.4172-166.140-37.7000113.6
135S39.2Very low47Very low124 Ų124136.3 Ų136.387%0.86778%0.777SS**  trans56.474.7159.2-57.90000116
136A41.4Very low48.2Very low86 Ų86131.9 Ų131.971%0.71177%0.768SS**  trans-131.3110.3161.400000108
137S42.8Very low49.7Very low91 Ų91129.9 Ų129.964%0.63676%0.764SS**  67.995.2107-53.10000110.1I139S137-I139 VanDerWaalsContact C-N 3.34Å; S137-I139 WeakPolarHBondContact O-CG1 3.43Å; S137-I139 PolarHBondContact O-N 3.34Å
138L41.2Very low50.7Low179 Ų179127.4 Ų127.494%0.93776%0.757SS**  28.876.689.2-66174.9000110.9
139I43.8Very low52.3Low141 Ų141125.4 Ų125.472%0.72375%0.752SS**  trans-121.494.7158-34.1177.7000105.7S137 T141S137-I139 VanDerWaalsContact C-N 3.34Å; S137-I139 WeakPolarHBondContact O-CG1 3.43Å; S137-I139 PolarHBondContact O-N 3.34Å; I139-T141 PolarHBondContact O-N 3.21Å
140S47.1Very low53.7Low106 Ų106123.1 Ų123.174%0.74175%0.747SS**  trans-50.192.9155.8-62.60000107.8S142S140-S142 PolarHBondContact O-N 3.03Å
141T46.1Very low55.2Low114 Ų114123.3 Ų123.370%0.69975%0.746SS**  trans-7094152.549.40000104.5I139 L143I139-T141 PolarHBondContact O-N 3.21Å; T141-L143 PolarHBondContact O-N 3.22Å
142S51.7Low56.8Low98 Ų98119.7 Ų119.769%0.68574%0.738SS**  trans-4592.9152.6-52.20000105.9S140 I144S140-S142 PolarHBondContact O-N 3.03Å; S142-I144 PolarHBondContact O-N 3Å
143L51.9Low58.3Low144 Ų144120.3 Ų120.375%0.75474%0.74SS**  trans-60.593.6156.3-68.8177.8000102.1T141 L145T141-L143 PolarHBondContact O-N 3.22Å; L143-L145 PolarHBondContact O-N 3.3Å
144I54.2Low59.4Low156 Ų156119.4 Ų119.480%0.874%0.741SS**  trans-57.691.2162.6-64.1168.3000102.1S142S142-I144 PolarHBondContact O-N 3Å
145L57.1Low60.1Low136 Ų136121.4 Ų121.471%0.71275%0.745SS**PPolyproline II helixtrans-51.2133.7166.4-96.479.3000104.6L143L143-L145 PolarHBondContact O-N 3.3Å
146P73.9Confident60.9Low107 Ų107120.6 Ų120.670%0.69574%0.739SS**PPolyproline II helixtrans-51.5141167.425.4-33000107.1
147P77Confident61.5Low109 Ų109121.2 Ų121.271%0.70874%0.738SS**PPolyproline II helixtrans-49.4139.7176.721.4-32.4000108.7
148P77.4Confident62.2Low113 Ų113122.2 Ų122.273%0.73474%0.742SS**PPolyproline II helixtrans-51.4137.3177.422.2-32.5000108.4
149P78.5Confident62.3Low113 Ų113117.7 Ų117.773%0.73473%0.73SS**PPolyproline II helixtrans-52.7140.1175.722.4-32.1000108.5
150P79.7Confident62.6Low113 Ų113118.9 Ų118.973%0.73474%0.737SS**PPolyproline II helixtrans-52.1137.417820.6-31.4000108.8
151P78.5Confident62.4Low114 Ų114123.1 Ų123.174%0.7475%0.746SS**PPolyproline II helixtrans-52135175.220.8-30.7000108.1
152P77.1Confident62.1Low111 Ų111121.1 Ų121.172%0.72175%0.748SS**PPolyproline II helixtrans-52.8136.4177.121.7-31.5000108V154P152-V154 PolarHBondContact O-N 2.89Å
153P73.8Confident61.4Low113 Ų113120 Ų12073%0.73475%0.751SS**PPolyproline II helixtrans-50.6124.4174.320.2-30.6000107.2I155P153-I155 PolarHBondContact O-N 2.74Å
154V69.5Low61Low135 Ų135117.5 Ų117.582%0.81875%0.752SS**  trans-58.597.9171.1-77.30000106.2P152 S156P152-V154 PolarHBondContact O-N 2.89Å; V154-S156 PolarHBondContact O-N 2.87Å
155I59.8Low60.4Low147 Ų147118.1 Ų118.175%0.75476%0.757SS**  trans-68.794.8168.6-50.5176.8000103P153 S157P153-I155 PolarHBondContact O-N 2.74Å; I155-S157 PolarHBondContact O-N 3.37Å
156S57.2Low60Low106 Ų106114.3 Ų114.374%0.74175%0.75SS**  trans-54.2100.4165.2-64.50000105.9V154V154-S156 PolarHBondContact O-N 2.87Å
157S53.9Low58.9Low100 Ų100115.9 Ų115.970%0.69976%0.764SS**  trans-46.2130173.9-59.50000107.7I155 A159I155-S157 PolarHBondContact O-N 3.37Å; S157-A159 PolarHBondContact O-N 3.46Å
158P56.5Low58Low112 Ų112114.4 Ų114.473%0.72776%0.756SS**  trans-58.7112.5173.323.8-30.1000106.6L160P158-L160 VanDerWaalsContact C-N 3.32Å; P158-L160 PolarHBondContact O-N 3.4Å
159A44.1Very low57.6Low83 Ų83113.4 Ų113.469%0.68675%0.745SS**  trans-56.6102170.600000106.6S157 Q161S157-A159 PolarHBondContact O-N 3.46Å; A159-Q161 PolarHBondContact O-N 3.2Å
160L48.8Very low57.9Low166 Ų166116.8 Ų116.887%0.86974%0.743SS**  trans-67.286.9163.4-69.6175.6000105.9P158 G162P158-L160 VanDerWaalsContact C-N 3.32Å; P158-L160 PolarHBondContact O-N 3.4Å; L160-G162 PolarHBondContact O-N 3.41Å
161Q43Very low58Low195 Ų195119.5 Ų119.591%0.91174%0.738SS**  trans-55.4107.2162.6-69.5-178.838.500106.8A159A159-Q161 PolarHBondContact O-N 3.2Å
162G40.1Very low58.3Low73 Ų73119.6 Ų119.675%0.75373%0.729SS**  trans-175.454.1-170.300000112.6L160L160-G162 PolarHBondContact O-N 3.41Å
163G36.8Very low58.6Low73 Ų73120.1 Ų120.175%0.75372%0.722SS**  trans77.9110145.700000118
164A44Very low59Low92 Ų92118.6 Ų118.676%0.7671%0.707SS**  trans63111.4140.700000118.8
165N42.4Very low59.8Low170 Ų170116.4 Ų116.491%0.90969%0.688SS**  trans42.6107.4135.2-63.4-7000117.7
166G48.2Very low61Low56 Ų56111.7 Ų111.758%0.57767%0.67SS**  trans151.5102.714800000113.4S168G166-S168 PolarHBondContact O-N 2.83Å; G166-S168 PolarHBondContact O-OG 2.98Å
167S51.6Low62.1Low140 Ų140115 Ų11598%0.97967%0.667SS**  trans-47.982.1142.5164.50000108.5
168S57.6Low63.4Low77 Ų77116.1 Ų116.154%0.53866%0.664SS.*  trans-128.4115.4-171.155.60000108G166 W170G166-S168 PolarHBondContact O-N 2.83Å; G166-S168 PolarHBondContact O-OG 2.98Å; S168-W170 PolarHBondContact O-N 3.41Å; S168-W170 VanDerWaalsContact O-N 3.13Å
169N69Low64.4Low93 Ų93119.1 Ų119.150%0.49766%0.661SS.*  trans-44.7116.2-177.2-82.1-61.3000111.1R171 E172 Q173N169-R171 HydrophobicContact CB-CB 4.36Å; N169-R171 PolarHBondContact O-N 3.16Å; N169-E172 HydrophobicContact CB-CB 4.14Å; N169-E172 HydrophobicContact CB-CG 3.94Å; N169-E172 PolarHBondContact ND2-OE1 2.93Å; N169-E172 WeakPolarHBondContact O-CA 3.47Å; N169-E172 WeakPolarHBondContact O-CB 3.5Å; N169-E172 PolarHBondContact O-N 2.96Å; N169-Q173 PolarHBondContact O-N 3.13Å; N169-Q173 VanDerWaalsContact O-N 3.16Å
170W84.1Confident65.5Low184 Ų184118.3 Ų118.370%0.69765%0.65SS**Hα-helixtrans-49.6-27.2168.368.4-88.3000112S168 Q173 L174S168-W170 PolarHBondContact O-N 3.41Å; S168-W170 VanDerWaalsContact O-N 3.13Å; W170-Q173 PolarHBondContact O-N 2.92Å; W170-L174 HydrophobicContact CE3-CD1 3.44Å; W170-L174 VanDerWaalsContact CE3-CD1 3.44Å; W170-L174 HydrophobicContact CE3-CG 4.46Å; W170-L174 HydrophobicContact CZ3-CD1 3.29Å; W170-L174 PolarHBondContact O-N 3.4Å
171R81.2Confident66.1Low170 Ų170118.6 Ų118.664%0.64265%0.645SS**Hα-helixtrans-65.5-39.7173.8-165.4174.6-178.5167.4-0.8113.4N169 Q175N169-R171 HydrophobicContact CB-CB 4.36Å; N169-R171 PolarHBondContact O-N 3.16Å; R171-Q175 PolarHBondContact O-N 3.3Å
172E85.3Confident66.9Low116 Ų116118.1 Ų118.154%0.54264%0.639SS.*Hα-helixtrans-70.1-39.3172.9-74.5168-141.200110.7N169 L174 Q175 A176N169-E172 HydrophobicContact CB-CB 4.14Å; N169-E172 HydrophobicContact CB-CG 3.94Å; N169-E172 PolarHBondContact ND2-OE1 2.93Å; N169-E172 WeakPolarHBondContact O-CA 3.47Å; N169-E172 WeakPolarHBondContact O-CB 3.5Å; N169-E172 PolarHBondContact O-N 2.96Å; E172-L174 VanDerWaalsContact C-N 3.32Å; E172-L174 PolarHBondContact O-N 3.28Å; E172-Q175 PolarHBondContact O-N 2.89Å; E172-A176 VanDerWaalsContact O-CB 3.32Å; E172-A176 WeakPolarHBondContact O-CB 3.48Å; E172-A176 PolarHBondContact O-N 3.24Å
173Q83.3Confident67.8Low121 Ų121120.8 Ų120.857%0.56564%0.637SS**Hα-helixtrans-64.8-35.8176.3-158.5174.365.200112.4N169 W170 R177N169-Q173 PolarHBondContact O-N 3.13Å; N169-Q173 VanDerWaalsContact O-N 3.16Å; W170-Q173 PolarHBondContact O-N 2.92Å; Q173-R177 WeakPolarHBondContact O-CB 3.26Å; Q173-R177 PolarHBondContact O-N 2.8Å
174L81.8Confident68.4Low81 Ų81123.2 Ų123.242%0.42463%0.632SS.*Hα-helixtrans-68.1-44.9170.8-94.8170.3000112.7W170 E172 A176 R177 L178W170-L174 HydrophobicContact CE3-CD1 3.44Å; W170-L174 VanDerWaalsContact CE3-CD1 3.44Å; W170-L174 HydrophobicContact CE3-CG 4.46Å; W170-L174 HydrophobicContact CZ3-CD1 3.29Å; W170-L174 PolarHBondContact O-N 3.4Å; E172-L174 VanDerWaalsContact C-N 3.32Å; E172-L174 PolarHBondContact O-N 3.28Å; L174-A176 VanDerWaalsContact C-N 3.32Å; L174-A176 PolarHBondContact O-N 3.42Å; L174-R177 PolarHBondContact O-N 3.08Å; L174-L178 WeakPolarHBondContact O-CB 3.24Å; L174-L178 VanDerWaalsContact O-CG 3.31Å; L174-L178 WeakPolarHBondContact O-CG 3.37Å; L174-L178 PolarHBondContact O-N 3.32Å
175Q87.9Confident68.3Low90 Ų90124.9 Ų124.942%0.42164%0.637SS.*Hα-helixtrans-62.4-40.7175.3-82.5-168.732.200111.7R171 E172 L178 R179R171-Q175 PolarHBondContact O-N 3.3Å; E172-Q175 PolarHBondContact O-N 2.89Å; Q175-L178 PolarHBondContact O-N 3.43Å; Q175-R179 WeakPolarHBondContact O-CB 3.32Å; Q175-R179 VanDerWaalsContact O-CG 3.24Å; Q175-R179 WeakPolarHBondContact O-CG 3.46Å; Q175-R179 PolarHBondContact O-N 2.88Å
176A84.3Confident68.6Low47 Ų47121.7 Ų121.739%0.38862%0.624SS.*Hα-helixtrans-59.5-50.2173.600000110.4E172 L174 L178 R179 S180E172-A176 VanDerWaalsContact O-CB 3.32Å; E172-A176 WeakPolarHBondContact O-CB 3.48Å; E172-A176 PolarHBondContact O-N 3.24Å; L174-A176 VanDerWaalsContact C-N 3.32Å; L174-A176 PolarHBondContact O-N 3.42Å; A176-L178 VanDerWaalsContact C-N 3.33Å; A176-L178 PolarHBondContact O-N 3.39Å; A176-R179 CarbonylContact O-C 3.6Å; A176-R179 PolarHBondContact O-N 2.96Å; A176-R179 VanDerWaalsContact O-N 3.11Å; A176-S180 WeakPolarHBondContact O-CB 3.29Å; A176-S180 PolarHBondContact O-N 2.92Å; A176-S180 PolarHBondContact O-OG 3.08Å
177R80.7Confident68.4Low176 Ų176125.3 Ų125.366%0.66463%0.63SS**Hα-helixtrans-57.1-41.6175.3-86.3-178.9170.4163.3-0.5113.2Q173 L174 K181Q173-R177 WeakPolarHBondContact O-CB 3.26Å; Q173-R177 PolarHBondContact O-N 2.8Å; L174-R177 PolarHBondContact O-N 3.08Å; R177-K181 VanDerWaalsContact O-CB 3.26Å; R177-K181 WeakPolarHBondContact O-CB 3.48Å; R177-K181 PolarHBondContact O-N 2.89Å
178L80.1Confident68.2Low123 Ų123127.2 Ų127.264%0.64462%0.621SS**Hα-helixtrans-66.1-38177.2-72.1167.6000112L174 Q175 A176L174-L178 WeakPolarHBondContact O-CB 3.24Å; L174-L178 VanDerWaalsContact O-CG 3.31Å; L174-L178 WeakPolarHBondContact O-CG 3.37Å; L174-L178 PolarHBondContact O-N 3.32Å; Q175-L178 PolarHBondContact O-N 3.43Å; A176-L178 VanDerWaalsContact C-N 3.33Å; A176-L178 PolarHBondContact O-N 3.39Å
179R79.2Confident67.7Low175 Ų175130.1 Ų130.166%0.6664%0.635SS**Hα-helixtrans-71.7-41.1175.7-68.7173.6-170.8-1637111.9Q175 A176 K181 K182Q175-R179 WeakPolarHBondContact O-CB 3.32Å; Q175-R179 VanDerWaalsContact O-CG 3.24Å; Q175-R179 WeakPolarHBondContact O-CG 3.46Å; Q175-R179 PolarHBondContact O-N 2.88Å; A176-R179 CarbonylContact O-C 3.6Å; A176-R179 PolarHBondContact O-N 2.96Å; A176-R179 VanDerWaalsContact O-N 3.11Å; R179-K181 VanDerWaalsContact C-N 3.35Å; R179-K181 PolarHBondContact O-N 2.94Å; R179-K182 PolarHBondContact O-N 3.01Å
180S66.7Low66.3Low66 Ų66130.7 Ų130.746%0.46265%0.646SS.*Hα-helixtrans-68.7-31178.2-52.60000112.9A176 K182 N183 N184A176-S180 WeakPolarHBondContact O-CB 3.29Å; A176-S180 PolarHBondContact O-N 2.92Å; A176-S180 PolarHBondContact O-OG 3.08Å; S180-K182 PolarHBondContact O-N 3.22Å; S180-N183 PolarHBondContact O-N 3.2Å; S180-N183 VanDerWaalsContact O-N 3.17Å; S180-N184 PolarHBondContact O-N 3.31Å
181K61.1Low64.3Low173 Ų173128 Ų12875%0.75265%0.651SS**THydrogen-bonded Turntrans-71.8-14.2178.3-166.6162.6178.1174.50113.5R177 R179 N183R177-K181 VanDerWaalsContact O-CB 3.26Å; R177-K181 WeakPolarHBondContact O-CB 3.48Å; R177-K181 PolarHBondContact O-N 2.89Å; R179-K181 VanDerWaalsContact C-N 3.35Å; R179-K181 PolarHBondContact O-N 2.94Å; K181-N183 VanDerWaalsContact C-N 3.3Å
182K59.4Low62.3Low184 Ų184125.9 Ų125.980%0.866%0.659SS**THydrogen-bonded Turntrans-77-17.7172.3-165.8166.1173.51770112.7R179 S180R179-K182 PolarHBondContact O-N 3.01Å; S180-K182 PolarHBondContact O-N 3.22Å
183N58.7Low60.7Low130 Ų130127.7 Ų127.770%0.69567%0.671SS**THydrogen-bonded Turntrans-122.7-6.8-170-58.7-3.5000114.5S180 K181S180-N183 PolarHBondContact O-N 3.2Å; S180-N183 VanDerWaalsContact O-N 3.17Å; K181-N183 VanDerWaalsContact C-N 3.3Å
184N49.4Very low58.7Low123 Ų123131.6 Ų131.666%0.65869%0.686SS**  trans-125.378.1178.1-84.5-39.7000110.5S180S180-N184 PolarHBondContact O-N 3.31Å
185C43.4Very low57.1Low127 Ų127131.9 Ų131.986%0.85869%0.694SS**  trans-105.858.1165-1750000109
186T47.6Very low54.7Low103 Ų103135.6 Ų135.663%0.63272%0.717SS**  trans-147.497.9171.250.50000106.3
187D44.8Very low53.3Low133 Ų133139.4 Ų139.471%0.71173%0.73SS**  167.2133.5129.5-88.9-6.6000114.5
188K45.9Very low51.9Low180 Ų180136.1 Ų136.178%0.78374%0.735SS**  trans81.582.9149.9-62.5158.3-167.2-175.20117.2
189T48Very low50.4Low137 Ų137137.1 Ų137.184%0.8474%0.739SS**  -172.9109.711333.20000110.9
190S38.5Very low48.9Very low105 Ų105132.8 Ų132.873%0.73474%0.735SS**  trans40.5102.1149.662.80000120.8
191T43.2Very low48.3Very low129 Ų129138.1 Ų138.179%0.79175%0.753SS**  156.5125.3121.243.30000109.8
192P40Very low48.1Very low124 Ų124135.2 Ų135.281%0.80575%0.746SS**  trans-93.5110.7-174.334.3-27.4000110.4
193I50.4Low48Very low155 Ų155133 Ų13380%0.79575%0.751SS**  trans-115.5103.7162.4-55.8-179.6000107.6S195I193-S195 PolarHBondContact O-N 3.33Å
194K41.3Very low48.3Very low202 Ų202130.7 Ų130.788%0.87875%0.749SS**  trans-64.2118171.9-64.4171177.2177.70109.2
195S48Very low49.9Very low87 Ų87129 Ų12961%0.60874%0.74SS**  trans-175.5104.6143.553.60000111.2I193 L197I193-S195 PolarHBondContact O-N 3.33Å; S195-L197 PolarHBondContact O-N 3.29Å
196N39.2Very low52Low168 Ų168128.9 Ų128.990%0.89873%0.729SS**  trans20.592.5143.9-57.3-28.4000117.4
197L54.3Low54.1Low127 Ų127126.4 Ų126.467%0.66572%0.715SS**  trans-125.788.5157.6-88.7127000108.5S195 I199S195-L197 PolarHBondContact O-N 3.29Å; L197-I199 PolarHBondContact O-N 3.28Å; L197-I199 VanDerWaalsContact O-N 3.11Å
198S51.6Low56Low108 Ų108123.4 Ų123.476%0.75570%0.697SS**  trans-61.9104.7164.250.60000109.1S200S198-S200 PolarHBondContact O-N 3.48Å
199I47.5Very low58.1Low143 Ų143117.8 Ų117.873%0.73368%0.678SS**  36.483128.3-49.8168.1000113.6L197 Q201L197-I199 PolarHBondContact O-N 3.28Å; L197-I199 VanDerWaalsContact O-N 3.11Å; I199-Q201 HydrophobicContact CG2-CB 4.47Å; I199-Q201 HydrophobicContact CG2-CG 3.77Å
200S49.1Very low60Low84 Ų84115.7 Ų115.759%0.58766%0.661SS**  trans-98.189151.4175.40000107.6S198 N202S198-S200 PolarHBondContact O-N 3.48Å; S200-N202 PolarHBondContact O-N 3.29Å
201Q53.7Low62.5Low179 Ų179116.4 Ų116.484%0.83665%0.651SS**  trans-75.468.2166.9-77.6-170.7-17.800109.6I199I199-Q201 HydrophobicContact CG2-CB 4.47Å; I199-Q201 HydrophobicContact CG2-CG 3.77Å
202N55.9Low64.6Low111 Ų111112.1 Ų112.159%0.59462%0.622SS**  trans-159.8100.4152.6-141.8-36.6000109.8S200 A204S200-N202 PolarHBondContact O-N 3.29Å; N202-A204 PolarHBondContact O-N 2.89Å
203P57.5Low67Low139 Ų139109.7 Ų109.790%0.90360%0.602SS**THydrogen-bonded Turntrans-72.916.2-173.530.2-35.1000114.5
204A65.3Low68.7Low81 Ų81110.3 Ų110.367%0.66960%0.601SS**THydrogen-bonded Turntrans-117.1-3.9-165.900000115.8N202 M206N202-A204 PolarHBondContact O-N 2.89Å; A204-M206 PolarHBondContact O-N 3.31Å
205D82.9Confident70.9Confident86 Ų86104.9 Ų104.946%0.4659%0.589SS.*  trans-95.995.8177.6-169-2.9000111.8S207 Q208 V209D205-S207 PolarHBondContact O-N 3.39Å; D205-S207 VanDerWaalsContact O-N 3.16Å; D205-S207 VanDerWaalsContact OD1-CB 3.25Å; D205-S207 WeakPolarHBondContact OD1-CB 3.2Å; D205-S207 PolarHBondContact OD1-N 3.19Å; D205-S207 PolarHBondContact OD1-OG 2.88Å; D205-S207 PolarHBondContact OD2-OG 3.14Å; D205-S207 VanDerWaalsContact OD2-OG 3.07Å; D205-Q208 HydrophobicContact CB-CB 4.36Å; D205-Q208 WeakPolarHBondContact O-CB 3.29Å; D205-Q208 PolarHBondContact O-N 3.39Å; D205-Q208 VanDerWaalsContact O-N 3.09Å; D205-V209 PolarHBondContact O-N 3.26Å
206M88.6Confident72.6Confident126 Ų126102.9 Ų102.962%0.62158%0.581SS**Hα-helixtrans-57.5-26.1175.6-78.5-60.5-56.300113.2A204 Q208 V209 L210A204-M206 PolarHBondContact O-N 3.31Å; M206-Q208 VanDerWaalsContact C-N 3.29Å; M206-Q208 PolarHBondContact O-N 2.95Å; M206-V209 PolarHBondContact O-N 3.15Å; M206-L210 VanDerWaalsContact O-CG 3.31Å; M206-L210 WeakPolarHBondContact O-CG 3.42Å; M206-L210 PolarHBondContact O-N 3.25Å; M206-L210 VanDerWaalsContact O-N 3.08Å
207S89.7Confident74.7Confident51 Ų5197.5 Ų97.536%0.35756%0.557SS.*Hα-helixtrans-67.8-33.6178.580.50000111.9D205 K211D205-S207 PolarHBondContact O-N 3.39Å; D205-S207 VanDerWaalsContact O-N 3.16Å; D205-S207 VanDerWaalsContact OD1-CB 3.25Å; D205-S207 WeakPolarHBondContact OD1-CB 3.2Å; D205-S207 PolarHBondContact OD1-N 3.19Å; D205-S207 PolarHBondContact OD1-OG 2.88Å; D205-S207 PolarHBondContact OD2-OG 3.14Å; D205-S207 VanDerWaalsContact OD2-OG 3.07Å; S207-K211 WeakPolarHBondContact O-CG 3.23Å; S207-K211 PolarHBondContact O-N 3.28Å; S207-K211 VanDerWaalsContact O-N 3.08Å
208Q86.6Confident76.1Confident70 Ų7094.5 Ų94.533%0.32754%0.541SS..Hα-helixtrans-71-44.7176.9-177.358.821.100110.9D205 M206 L210 K211 E212D205-Q208 HydrophobicContact CB-CB 4.36Å; D205-Q208 WeakPolarHBondContact O-CB 3.29Å; D205-Q208 PolarHBondContact O-N 3.39Å; D205-Q208 VanDerWaalsContact O-N 3.09Å; M206-Q208 VanDerWaalsContact C-N 3.29Å; M206-Q208 PolarHBondContact O-N 2.95Å; Q208-L210 VanDerWaalsContact C-N 3.29Å; Q208-L210 PolarHBondContact O-N 3.32Å; Q208-K211 PolarHBondContact O-N 3.39Å; Q208-K211 VanDerWaalsContact O-N 3.15Å; Q208-E212 WeakPolarHBondContact CG-OE1 3.32Å; Q208-E212 PolarHBondContact NE2-OE1 3.01Å; Q208-E212 WeakPolarHBondContact O-CG 3.26Å; Q208-E212 PolarHBondContact O-N 3.29Å
209V88.3Confident77.8Confident61 Ų6198.6 Ų98.637%0.3755%0.545SS..Hα-helixtrans-57.3-43.9175.51790000110.9D205 M206 E212 L213D205-V209 PolarHBondContact O-N 3.26Å; M206-V209 PolarHBondContact O-N 3.15Å; V209-E212 PolarHBondContact O-N 3.08Å; V209-L213 HydrophobicContact CG1-CD1 4.26Å; V209-L213 VanDerWaalsContact O-CG 3.31Å; V209-L213 WeakPolarHBondContact O-CG 3.4Å; V209-L213 PolarHBondContact O-N 2.9Å
210L89.4Confident79.7Confident93 Ų9398.2 Ų98.249%0.48754%0.544SS..Hα-helixtrans-64.8-41.2177.6-69.5173.4000112.5M206 Q208 E212 L213 Q214M206-L210 VanDerWaalsContact O-CG 3.31Å; M206-L210 WeakPolarHBondContact O-CG 3.42Å; M206-L210 PolarHBondContact O-N 3.25Å; M206-L210 VanDerWaalsContact O-N 3.08Å; Q208-L210 VanDerWaalsContact C-N 3.29Å; Q208-L210 PolarHBondContact O-N 3.32Å; L210-E212 VanDerWaalsContact C-N 3.31Å; L210-E212 PolarHBondContact O-N 3.21Å; L210-L213 PolarHBondContact O-N 3.23Å; L210-Q214 WeakPolarHBondContact O-CB 3.45Å; L210-Q214 WeakPolarHBondContact O-CG 3.4Å; L210-Q214 PolarHBondContact O-N 2.78Å
211K90.4Very high81.6Confident121 Ų121104.5 Ų104.553%0.52656%0.555SS.*Hα-helixtrans-63.2-38174.6-75170.8-176.5170.20112S207 Q208 Q214 S215S207-K211 WeakPolarHBondContact O-CG 3.23Å; S207-K211 PolarHBondContact O-N 3.28Å; S207-K211 VanDerWaalsContact O-N 3.08Å; Q208-K211 PolarHBondContact O-N 3.39Å; Q208-K211 VanDerWaalsContact O-N 3.15Å; K211-Q214 PolarHBondContact O-N 3.48Å; K211-S215 WeakPolarHBondContact O-CB 3.32Å; K211-S215 PolarHBondContact O-N 3.06Å; K211-S215 PolarHBondContact O-OG 3.01Å
212E88.2Confident83.1Confident39 Ų39101.8 Ų101.818%0.18256%0.556CS.*Hα-helixtrans-68.6-38.5177.5-74.6174.2-167.600112Q208 V209 L210 S215 G216 S217 I218Q208-E212 WeakPolarHBondContact CG-OE1 3.32Å; Q208-E212 PolarHBondContact NE2-OE1 3.01Å; Q208-E212 WeakPolarHBondContact O-CG 3.26Å; Q208-E212 PolarHBondContact O-N 3.29Å; V209-E212 PolarHBondContact O-N 3.08Å; L210-E212 VanDerWaalsContact C-N 3.31Å; L210-E212 PolarHBondContact O-N 3.21Å; E212-S215 WeakPolarHBondContact CA-OG 3.49Å; E212-S215 PolarHBondContact O-OG 3.42Å; E212-G216 PolarHBondContact O-N 2.95Å; E212-S217 VanDerWaalsContact CA-OG 3.26Å; E212-S217 WeakPolarHBondContact CA-OG 3.47Å; E212-S217 VanDerWaalsContact CB-OG 3.24Å; E212-S217 WeakPolarHBondContact CB-OG 3.45Å; E212-S217 WeakPolarHBondContact CG-OG 3.43Å; E212-S217 PolarHBondContact O-N 3.44Å; E212-S217 PolarHBondContact O-OG 3Å; E212-I218 HydrophobicContact CB-CD1 3.61Å; E212-I218 HydrophobicContact CB-CG1 4.01Å; E212-I218 WeakPolarHBondContact OE2-CD1 3.31Å
213L88.6Confident84.7Confident73 Ų73100.3 Ų100.338%0.38255%0.547SS..Hα-helixtrans-65.3-38.3172.2-70173.9000112.1V209 L210 I218 L220V209-L213 HydrophobicContact CG1-CD1 4.26Å; V209-L213 VanDerWaalsContact O-CG 3.31Å; V209-L213 WeakPolarHBondContact O-CG 3.4Å; V209-L213 PolarHBondContact O-N 2.9Å; L210-L213 PolarHBondContact O-N 3.23Å; L213-I218 HydrophobicContact CD2-CB 4.24Å; L213-I218 HydrophobicContact CD2-CG2 4.15Å; L213-L220 HydrophobicContact CD2-CD1 3.93Å; L213-L220 HydrophobicContact CD2-CD2 4.14Å; L213-L220 HydrophobicContact CD2-CG 4.05Å
214Q87Confident86.2Confident168 Ų16897.2 Ų97.279%0.78553%0.527SS*.Hα-helixtrans-77.5-35.6178.4-72.9178.8-28.400113.6L210 K211 G216L210-Q214 WeakPolarHBondContact O-CB 3.45Å; L210-Q214 WeakPolarHBondContact O-CG 3.4Å; L210-Q214 PolarHBondContact O-N 2.78Å; K211-Q214 PolarHBondContact O-N 3.48Å; Q214-G216 PolarHBondContact O-N 3.39Å
215S86.6Confident87.4Confident88 Ų88100.8 Ų100.862%0.61552%0.523SS*.Hα-helixtrans-78.8-5.5178.7570000113.1K211 E212 S217K211-S215 WeakPolarHBondContact O-CB 3.32Å; K211-S215 PolarHBondContact O-N 3.06Å; K211-S215 PolarHBondContact O-OG 3.01Å; E212-S215 WeakPolarHBondContact CA-OG 3.49Å; E212-S215 PolarHBondContact O-OG 3.42Å; S215-S217 PolarHBondContact O-N 2.81Å
216G84.1Confident87.6Confident44 Ų4498.8 Ų98.845%0.45452%0.516SS..THydrogen-bonded Turntrans71.714.4178.600000113.8E212 Q214 I218E212-G216 PolarHBondContact O-N 2.95Å; Q214-G216 PolarHBondContact O-N 3.39Å; G216-I218 PolarHBondContact O-N 3.41Å
217S84.3Confident87.6Confident55 Ų5599.8 Ų99.839%0.38553%0.532SS..SBendtrans-68.3-28.2173.863.10000111.5E212 S215E212-S217 VanDerWaalsContact CA-OG 3.26Å; E212-S217 WeakPolarHBondContact CA-OG 3.47Å; E212-S217 VanDerWaalsContact CB-OG 3.24Å; E212-S217 WeakPolarHBondContact CB-OG 3.45Å; E212-S217 WeakPolarHBondContact CG-OG 3.43Å; E212-S217 PolarHBondContact O-N 3.44Å; E212-S217 PolarHBondContact O-OG 3Å; S215-S217 PolarHBondContact O-N 2.81Å
218I83.2Confident87.8Confident64 Ų64100.6 Ų100.633%0.32855%0.548SS..SBendtrans-103.9112.8172.5-60.2170000109.4E212 L213 G216 L220E212-I218 HydrophobicContact CB-CD1 3.61Å; E212-I218 HydrophobicContact CB-CG1 4.01Å; E212-I218 WeakPolarHBondContact OE2-CD1 3.31Å; L213-I218 HydrophobicContact CD2-CB 4.24Å; L213-I218 HydrophobicContact CD2-CG2 4.15Å; G216-I218 PolarHBondContact O-N 3.41Å; I218-L220 HydrophobicContact CG2-CD2 3.99Å; I218-L220 PolarHBondContact O-N 2.73Å
219K86.9Confident88Confident194 Ų19498.9 Ų98.984%0.84355%0.549SS*.  trans-86.2107.9171.2-69.4-178.6179.8176.30110.2
220L86.7Confident88Confident136 Ų136100.2 Ų100.271%0.71256%0.558SS**PPolyproline II helixtrans-76.1140169.8-59.7-177.5000110.2L213 I218L213-L220 HydrophobicContact CD2-CD1 3.93Å; L213-L220 HydrophobicContact CD2-CD2 4.14Å; L213-L220 HydrophobicContact CD2-CG 4.05Å; I218-L220 HydrophobicContact CG2-CD2 3.99Å; I218-L220 PolarHBondContact O-N 2.73Å
221R89.3Confident87.9Confident215 Ų21598.5 Ų98.581%0.81155%0.552SS**PPolyproline II helixtrans-75.6135.7172.8-67.7-173.4-66.5121.8-1.4109.7I223R221-I223 PolarHBondContact O-N 3.16Å
222S86.7Confident87.7Confident123 Ų12396.9 Ų96.986%0.8655%0.548SS*.PPolyproline II helixtrans-71.3125.1167.8-172.20000109.3
223I88Confident87.3Confident79 Ų79104.1 Ų104.141%0.40558%0.579SS.*  trans-109.6131.2174.8-59.5176.4000106.5R221 R225 P231R221-I223 PolarHBondContact O-N 3.16Å; I223-R225 WeakPolarHBondContact O-CG 3.49Å; I223-R225 PolarHBondContact O-N 2.95Å; I223-P231 HydrophobicContact CG2-CB 4.02Å
224P89.3Confident86.7Confident75 Ų75106.7 Ų106.749%0.48759%0.589SS.*  trans-58134.5175.525.3-34.7000110I232P224-I232 HydrophobicContact CB-CD1 4.38Å; P224-I232 PolarHBondContact O-N 3.32Å
225R90.3Very high85.7Confident156 Ų156108.5 Ų108.559%0.58959%0.594SS**BIsolated β-bridgetrans-125.7148.2-177.9-47-175.787.4131.9-5.6109.5I223 G229 T230I223-R225 WeakPolarHBondContact O-CG 3.49Å; I223-R225 PolarHBondContact O-N 2.95Å; R225-G229 VanDerWaalsContact CZ-O 3.28Å; R225-G229 PolarHBondContact NE-O 2.89Å; R225-G229 PolarHBondContact NH2-O 3.29Å; R225-T230 VanDerWaalsContact CA-O 3.29Å; R225-T230 WeakPolarHBondContact CA-O 3.26Å
226S88.3Confident84.6Confident43 Ų43113.6 Ų113.630%0.30160%0.6SS.*  trans-68.6164.9167.163.90000109.9G228 G229 T230S226-G228 PolarHBondContact O-N 3.48Å; S226-G229 PolarHBondContact O-N 3.03Å; S226-T230 PolarHBondContact N-O 2.92Å; S226-T230 PolarHBondContact OG-O 3.32Å
227P88.7Confident83.6Confident148 Ų148116 Ų11696%0.96161%0.61SS**THydrogen-bonded Turntrans-52.6-27.3175-28.235.8000114.3G229P227-G229 VanDerWaalsContact C-N 3.29Å; P227-G229 PolarHBondContact O-N 3.5Å
228G92.5Very high82.7Confident68 Ų68118.2 Ų118.270%0.70162%0.623SS**THydrogen-bonded Turntrans-81.46.9175.500000115.5S226 T230S226-G228 PolarHBondContact O-N 3.48Å; G228-T230 VanDerWaalsContact C-N 3.29Å; G228-T230 PolarHBondContact O-N 3.11Å
229G90.5Very high81.7Confident34 Ų34122.2 Ų122.235%0.35165%0.651SS.*SBendtrans79.53.7176.600000115.2R225 S226 P227R225-G229 VanDerWaalsContact CZ-O 3.28Å; R225-G229 PolarHBondContact NE-O 2.89Å; R225-G229 PolarHBondContact NH2-O 3.29Å; S226-G229 PolarHBondContact O-N 3.03Å; P227-G229 VanDerWaalsContact C-N 3.29Å; P227-G229 PolarHBondContact O-N 3.5Å
230T89.5Confident80.6Confident89 Ų89116.3 Ų116.355%0.54663%0.628SS.*  trans-76.2127.2174.6-43.10000110R225 S226 G228 I232R225-T230 VanDerWaalsContact CA-O 3.29Å; R225-T230 WeakPolarHBondContact CA-O 3.26Å; S226-T230 PolarHBondContact N-O 2.92Å; S226-T230 PolarHBondContact OG-O 3.32Å; G228-T230 VanDerWaalsContact C-N 3.29Å; G228-T230 PolarHBondContact O-N 3.11Å; T230-I232 PolarHBondContact O-N 2.98Å
231P87.3Confident79.7Confident57 Ų57113.1 Ų113.137%0.3762%0.617SS.*BIsolated β-bridgetrans-57.4125.9172-23.734.4000110.9I223 K233I223-P231 HydrophobicContact CG2-CB 4.02Å; P231-K233 PolarHBondContact O-N 2.79Å; P231-K233 VanDerWaalsContact O-N 3.16Å
232I84.9Confident79.2Confident86 Ų86105.4 Ų105.444%0.44160%0.604SS.*  trans-73.9109.8178.4-61.6171.5000107.7P224 T230 Q234P224-I232 HydrophobicContact CB-CD1 4.38Å; P224-I232 PolarHBondContact O-N 3.32Å; T230-I232 PolarHBondContact O-N 2.98Å; I232-Q234 PolarHBondContact O-N 2.88Å
233K81.6Confident79.1Confident191 Ų191104 Ų10483%0.8359%0.594SS**  trans-76.7104.8169.9-64-177.6-179.6-179.30107.7P231 K235P231-K233 PolarHBondContact O-N 2.79Å; P231-K233 VanDerWaalsContact O-N 3.16Å; K233-K235 PolarHBondContact O-N 3.32Å; K233-K235 VanDerWaalsContact O-N 3.09Å
234Q75.5Confident79.3Confident127 Ų127103.6 Ų103.659%0.59359%0.593SS**  trans-60117165.9-69.9-176.8-33.800107.2I232 R236I232-Q234 PolarHBondContact O-N 2.88Å; Q234-R236 PolarHBondContact O-N 3.36Å
235K66.1Low79.5Confident207 Ų207104.1 Ų104.190%0.960%0.596SS**  trans-68.770.6171.4-68.1-175.2179.3-178.40108.6K233 S237K233-K235 PolarHBondContact O-N 3.32Å; K233-K235 VanDerWaalsContact O-N 3.09Å; K235-S237 VanDerWaalsContact C-N 3.28Å; K235-S237 PolarHBondContact O-N 3.15Å; K235-S237 VanDerWaalsContact O-N 3.15Å
236R63.6Low79.6Confident195 Ų195100.9 Ų100.974%0.73660%0.597SS**  trans-76.794.3158.5-68-173.5-179.4146.61.4104.5Q234 P238Q234-R236 PolarHBondContact O-N 3.36Å; R236-P238 WeakPolarHBondContact O-CD 3.43Å
237S61.8Low79.7Confident95 Ų9599.3 Ų99.366%0.66459%0.586SS**  trans-50.6124.3153.851.70000104.9K235 T239K235-S237 VanDerWaalsContact C-N 3.28Å; K235-S237 PolarHBondContact O-N 3.15Å; K235-S237 VanDerWaalsContact O-N 3.15Å; S237-T239 PolarHBondContact O-N 3.35Å
238P65.5Low79.9Confident100 Ų10096 Ų9665%0.64956%0.56SS**  trans-50126.1173.1-2130.8000106.3R236 I240R236-P238 WeakPolarHBondContact O-CD 3.43Å; P238-I240 HydrophobicContact CB-CG1 3.97Å; P238-I240 WeakPolarHBondContact O-CG1 3.24Å; P238-I240 PolarHBondContact O-N 3.04Å
239T62.8Low80Confident149 Ų14997.7 Ų97.791%0.91455%0.551SS**  trans-67.182.2169.916.70000105.6S237 S241S237-T239 PolarHBondContact O-N 3.35Å; T239-S241 PolarHBondContact O-N 3.36Å; T239-S241 VanDerWaalsContact O-N 3.16Å
240I63.5Low80.1Confident70 Ų7098 Ų9836%0.35955%0.55SS.*  trans-70.1109.2-178.8-71.7174.2000105.4P238 G242 A247 R251P238-I240 HydrophobicContact CB-CG1 3.97Å; P238-I240 WeakPolarHBondContact O-CG1 3.24Å; P238-I240 PolarHBondContact O-N 3.04Å; I240-G242 PolarHBondContact O-N 3.15Å; I240-A247 HydrophobicContact CG2-CB 3.16Å; I240-R251 HydrophobicContact CD1-CG 4Å; I240-R251 HydrophobicContact CG2-CG 4.14Å
241S67.5Low80.2Confident69 Ų6999.1 Ų99.148%0.48355%0.545SS..  trans-53.6124.7176.8-172.30000108.9T239 S243 D244T239-S241 PolarHBondContact O-N 3.36Å; T239-S241 VanDerWaalsContact O-N 3.16Å; S241-S243 PolarHBondContact O-N 3.46Å; S241-S243 PolarHBondContact OG-OG 3.32Å; S241-D244 PolarHBondContact O-N 3.35Å
242G78.5Confident80.5Confident53 Ų5399.2 Ų99.255%0.54655%0.551SS.*THydrogen-bonded Turntrans-60.7-10.3-179.900000114.1I240I240-G242 PolarHBondContact O-N 3.15Å
243S86.3Confident81Confident94 Ų9499.3 Ų99.366%0.65755%0.551SS**THydrogen-bonded Turntrans-99.8-13.4-176.659.70000115.7S241S241-S243 PolarHBondContact O-N 3.46Å; S241-S243 PolarHBondContact OG-OG 3.32Å
244D90.8Very high81.4Confident69 Ų6997.1 Ų97.137%0.36954%0.544SS..  trans-82123.9-179.4162.932.3000110.4S241 C246 A247 I248S241-D244 PolarHBondContact O-N 3.35Å; D244-C246 VanDerWaalsContact C-N 3.27Å; D244-C246 PolarHBondContact O-N 3.49Å; D244-C246 WeakPolarHBondContact OD1-CB 3.45Å; D244-C246 PolarHBondContact OD1-N 3.25Å; D244-A247 HydrophobicContact CB-CB 3.63Å; D244-A247 WeakPolarHBondContact O-CB 3.42Å; D244-A247 PolarHBondContact O-N 3.17Å; D244-A247 VanDerWaalsContact OD2-CB 3.29Å; D244-A247 WeakPolarHBondContact OD2-CB 3.21Å; D244-A247 PolarHBondContact OD2-N 3.22Å; D244-A247 VanDerWaalsContact OD2-N 3.14Å; D244-I248 WeakPolarHBondContact O-CG1 3.29Å; D244-I248 PolarHBondContact O-N 2.74Å
245P94.5Very high82.2Confident86 Ų8695.1 Ų95.156%0.55854%0.544SS*.Hα-helixtrans-58.9-37.7178.724.1-35000112.2I248 I249P245-I248 PolarHBondContact O-N 3.09Å; P245-I249 VanDerWaalsContact O-CG1 3.28Å; P245-I249 WeakPolarHBondContact O-CG1 3.31Å; P245-I249 PolarHBondContact O-N 3.2Å
246C92.5Very high83.5Confident89 Ų8992.5 Ų92.560%0.60153%0.533SS*.Hα-helixtrans-65-44.5178-65.80000110.9D244 I249 A250D244-C246 VanDerWaalsContact C-N 3.27Å; D244-C246 PolarHBondContact O-N 3.49Å; D244-C246 WeakPolarHBondContact OD1-CB 3.45Å; D244-C246 PolarHBondContact OD1-N 3.25Å; C246-I249 PolarHBondContact O-N 3.32Å; C246-A250 VanDerWaalsContact O-CB 3.23Å; C246-A250 WeakPolarHBondContact O-CB 3.45Å; C246-A250 PolarHBondContact O-N 3.24Å
247A90.4Very high85Confident10 Ų1087.8 Ų87.88%0.08352%0.517CS..Hα-helixtrans-56.2-43.9172.300000113.9I240 D244 R251I240-A247 HydrophobicContact CG2-CB 3.16Å; D244-A247 HydrophobicContact CB-CB 3.63Å; D244-A247 WeakPolarHBondContact O-CB 3.42Å; D244-A247 PolarHBondContact O-N 3.17Å; D244-A247 VanDerWaalsContact OD2-CB 3.29Å; D244-A247 WeakPolarHBondContact OD2-CB 3.21Å; D244-A247 PolarHBondContact OD2-N 3.22Å; D244-A247 VanDerWaalsContact OD2-N 3.14Å; A247-R251 WeakPolarHBondContact O-CB 3.46Å; A247-R251 VanDerWaalsContact O-CG 3.32Å; A247-R251 WeakPolarHBondContact O-CG 3.37Å; A247-R251 PolarHBondContact O-N 3.1Å
248I92.7Very high86.3Confident79 Ų7986.8 Ų86.841%0.40551%0.51SS..Hα-helixtrans-65.3-49.8177-65.7161.9000110.3D244 P245 A250 R251 A252D244-I248 WeakPolarHBondContact O-CG1 3.29Å; D244-I248 PolarHBondContact O-N 2.74Å; P245-I248 PolarHBondContact O-N 3.09Å; I248-A250 VanDerWaalsContact C-N 3.34Å; I248-A250 PolarHBondContact O-N 3.14Å; I248-R251 PolarHBondContact O-N 3.47Å; I248-A252 PolarHBondContact O-N 3.14Å
249I94.2Very high87.4Confident102 Ų10287.9 Ų87.952%0.52351%0.507SS..Hα-helixtrans-60.5-45.4178.8-65.9165.1000110.3P245 C246 R251 A252 L253P245-I249 VanDerWaalsContact O-CG1 3.28Å; P245-I249 WeakPolarHBondContact O-CG1 3.31Å; P245-I249 PolarHBondContact O-N 3.2Å; C246-I249 PolarHBondContact O-N 3.32Å; I249-R251 VanDerWaalsContact C-N 3.34Å; I249-R251 PolarHBondContact O-N 3Å; I249-A252 PolarHBondContact O-N 3.16Å; I249-L253 HydrophobicContact CG2-CD1 3.87Å; I249-L253 HydrophobicContact CG2-CG 4.24Å; I249-L253 VanDerWaalsContact O-CG 3.3Å; I249-L253 WeakPolarHBondContact O-CG 3.19Å; I249-L253 PolarHBondContact O-N 3.26Å
250A92.8Very high88.6Confident40 Ų4085.5 Ų85.533%0.33149%0.488SS..Hα-helixtrans-59.8-43.2177.400000111.8C246 I248 L253 H254C246-A250 VanDerWaalsContact O-CB 3.23Å; C246-A250 WeakPolarHBondContact O-CB 3.45Å; C246-A250 PolarHBondContact O-N 3.24Å; I248-A250 VanDerWaalsContact C-N 3.34Å; I248-A250 PolarHBondContact O-N 3.14Å; A250-L253 PolarHBondContact O-N 3.44Å; A250-H254 WeakPolarHBondContact O-CB 3.31Å; A250-H254 PolarHBondContact O-CD2 3.04Å; A250-H254 VanDerWaalsContact O-CD2 3.31Å; A250-H254 PolarHBondContact O-N 3Å
251R91.3Very high89.4Confident114 Ų11490 Ų9043%0.4350%0.5SS..Hα-helixtrans-62.1-44.7174.4-77.3-174.6-63.8164.80.9112I240 A247 I248 I249 H254 S255I240-R251 HydrophobicContact CD1-CG 4Å; I240-R251 HydrophobicContact CG2-CG 4.14Å; A247-R251 WeakPolarHBondContact O-CB 3.46Å; A247-R251 VanDerWaalsContact O-CG 3.32Å; A247-R251 WeakPolarHBondContact O-CG 3.37Å; A247-R251 PolarHBondContact O-N 3.1Å; I248-R251 PolarHBondContact O-N 3.47Å; I249-R251 VanDerWaalsContact C-N 3.34Å; I249-R251 PolarHBondContact O-N 3Å; R251-H254 PolarHBondContact O-N 3.27Å; R251-S255 WeakPolarHBondContact O-CB 3.47Å; R251-S255 PolarHBondContact O-N 3.49Å
252A93.7Very high90Very high59 Ų5988.8 Ų88.849%0.48849%0.492SS..Hα-helixtrans-62.2-44.3178.400000111.7I248 I249 S255 K256I248-A252 PolarHBondContact O-N 3.14Å; I249-A252 PolarHBondContact O-N 3.16Å; A252-S255 PolarHBondContact O-N 2.84Å; A252-K256 VanDerWaalsContact O-CB 3.3Å; A252-K256 WeakPolarHBondContact O-CB 3.25Å; A252-K256 PolarHBondContact O-N 3.34Å
253L95.8Very high90.1Very high87 Ų8791.4 Ų91.446%0.45549%0.491SS..Hα-helixtrans-64.7-46.5175.8-67.5173.1000111.7I249 A250 S255 K256 F257I249-L253 HydrophobicContact CG2-CD1 3.87Å; I249-L253 HydrophobicContact CG2-CG 4.24Å; I249-L253 VanDerWaalsContact O-CG 3.3Å; I249-L253 WeakPolarHBondContact O-CG 3.19Å; I249-L253 PolarHBondContact O-N 3.26Å; A250-L253 PolarHBondContact O-N 3.44Å; L253-S255 VanDerWaalsContact C-N 3.28Å; L253-S255 PolarHBondContact O-N 2.85Å; L253-K256 PolarHBondContact O-N 2.9Å; L253-F257 HydrophobicContact CB-CD2 4.46Å; L253-F257 HydrophobicContact CD2-CE2 3.9Å; L253-F257 WeakPolarHBondContact O-CD2 3.24Å; L253-F257 PolarHBondContact O-N 3.41Å
254H90.6Very high89.7Confident145 Ų14593.4 Ų93.467%0.67149%0.491SS*.Hα-helixtrans-58.1-42.1176.2-96.4-92.5000111.9A250 R251 S258A250-H254 WeakPolarHBondContact O-CB 3.31Å; A250-H254 PolarHBondContact O-CD2 3.04Å; A250-H254 VanDerWaalsContact O-CD2 3.31Å; A250-H254 PolarHBondContact O-N 3Å; R251-H254 PolarHBondContact O-N 3.27Å; H254-S258 WeakPolarHBondContact O-CB 3.47Å; H254-S258 PolarHBondContact O-N 3.45Å
255S91.3Very high88.8Confident85 Ų8594.1 Ų94.159%0.59450%0.495SS*.Hα-helixtrans-64.9-50.8176.1-179.70000111.4R251 A252 L253 F257 S258R251-S255 WeakPolarHBondContact O-CB 3.47Å; R251-S255 PolarHBondContact O-N 3.49Å; A252-S255 PolarHBondContact O-N 2.84Å; L253-S255 VanDerWaalsContact C-N 3.28Å; L253-S255 PolarHBondContact O-N 2.85Å; S255-F257 VanDerWaalsContact C-N 3.25Å; S255-F257 PolarHBondContact O-N 3.39Å; S255-S258 WeakPolarHBondContact O-CB 3.36Å; S255-S258 PolarHBondContact O-N 2.91Å; S255-S258 PolarHBondContact O-OG 3.01Å
256K94.2Very high87.2Confident153 Ų15394.3 Ų94.367%0.66549%0.492SS*.Hα-helixtrans-58.8-34.1-178.6-171.2175-169.3-68.30113.4A252 L253A252-K256 VanDerWaalsContact O-CB 3.3Å; A252-K256 WeakPolarHBondContact O-CB 3.25Å; A252-K256 PolarHBondContact O-N 3.34Å; L253-K256 PolarHBondContact O-N 2.9Å
257F94.2Very high85.5Confident95 Ų9594.9 Ų94.942%0.41750%0.497SS..THydrogen-bonded Turntrans-106.26.8-177.2-60.5-61.2000114.1L253 S255 H259 L260 R261L253-F257 HydrophobicContact CB-CD2 4.46Å; L253-F257 HydrophobicContact CD2-CE2 3.9Å; L253-F257 WeakPolarHBondContact O-CD2 3.24Å; L253-F257 PolarHBondContact O-N 3.41Å; S255-F257 VanDerWaalsContact C-N 3.25Å; S255-F257 PolarHBondContact O-N 3.39Å; F257-H259 VanDerWaalsContact C-N 3.29Å; F257-H259 PolarHBondContact O-N 2.92Å; F257-L260 HydrophobicContact CB-CD1 4.48Å; F257-L260 HydrophobicContact CD1-CD1 3.43Å; F257-L260 VanDerWaalsContact CD1-CD1 3.43Å; F257-L260 HydrophobicContact CD1-CG 4.18Å; F257-L260 HydrophobicContact CE1-CD1 4.05Å; F257-L260 HydrophobicContact CG-CD1 4.36Å; F257-L260 PolarHBondContact O-N 3.48Å; F257-L260 VanDerWaalsContact O-N 3.13Å; F257-R261 PolarHBondContact O-N 3.41Å
258S88.3Confident83.7Confident74 Ų74100.3 Ų100.352%0.51753%0.529SS..Hα-helixtrans-56.3-42.7177.759.90000112.2H254 S255 L260 R261 S262H254-S258 WeakPolarHBondContact O-CB 3.47Å; H254-S258 PolarHBondContact O-N 3.45Å; S255-S258 WeakPolarHBondContact O-CB 3.36Å; S255-S258 PolarHBondContact O-N 2.91Å; S255-S258 PolarHBondContact O-OG 3.01Å; S258-L260 PolarHBondContact O-N 2.8Å; S258-R261 PolarHBondContact O-N 3Å; S258-S262 PolarHBondContact O-N 3.47Å
259H89.5Confident81.4Confident123 Ų123100.3 Ų100.357%0.56954%0.536SS*.Hα-helixtrans-64.3-38.4176.9-175.567.6000112.8F257 R261 S262 M263F257-H259 VanDerWaalsContact C-N 3.29Å; F257-H259 PolarHBondContact O-N 2.92Å; H259-R261 VanDerWaalsContact C-N 3.26Å; H259-R261 PolarHBondContact O-N 3.44Å; H259-S262 WeakPolarHBondContact O-CB 3.21Å; H259-S262 PolarHBondContact O-N 3.11Å; H259-S262 VanDerWaalsContact O-N 3.08Å; H259-M263 VanDerWaalsContact CD2-SD 3.59Å; H259-M263 PolarHBondContact NE2-SD 3.45Å; H259-M263 WeakPolarHBondContact O-CG 3.46Å; H259-M263 PolarHBondContact O-N 3.45Å
260L88.6Confident79.2Confident99 Ų9999.4 Ų99.452%0.51855%0.552SS.*Hα-helixtrans-62.4-35177.7-63.6-170.3000112F257 S258 M263 M264F257-L260 HydrophobicContact CB-CD1 4.48Å; F257-L260 HydrophobicContact CD1-CD1 3.43Å; F257-L260 VanDerWaalsContact CD1-CD1 3.43Å; F257-L260 HydrophobicContact CD1-CG 4.18Å; F257-L260 HydrophobicContact CE1-CD1 4.05Å; F257-L260 HydrophobicContact CG-CD1 4.36Å; F257-L260 PolarHBondContact O-N 3.48Å; F257-L260 VanDerWaalsContact O-N 3.13Å; S258-L260 PolarHBondContact O-N 2.8Å; L260-M263 PolarHBondContact O-N 3.44Å; L260-M264 PolarHBondContact O-N 3.43Å
261R80.4Confident77.2Confident166 Ų166105 Ų10563%0.62657%0.571SS**Hα-helixtrans-65.4-43.4174-164.27673.9-153.91.1110.9F257 S258 H259 M263 M264 D265F257-R261 PolarHBondContact O-N 3.41Å; S258-R261 PolarHBondContact O-N 3Å; H259-R261 VanDerWaalsContact C-N 3.26Å; H259-R261 PolarHBondContact O-N 3.44Å; R261-M263 VanDerWaalsContact C-N 3.3Å; R261-M263 PolarHBondContact O-N 3.15Å; R261-M264 PolarHBondContact O-N 2.96Å; R261-D265 WeakPolarHBondContact CG-OD2 3.26Å; R261-D265 WeakPolarHBondContact O-CB 3.33Å; R261-D265 VanDerWaalsContact O-CG 3.23Å; R261-D265 PolarHBondContact O-N 3.3Å
262S79.4Confident75.3Confident43 Ų43107.9 Ų107.930%0.30159%0.589SS.*Hα-helixtrans-61.8-37.5175.7-173.30000112.6S258 H259 N266S258-S262 PolarHBondContact O-N 3.47Å; H259-S262 WeakPolarHBondContact O-CB 3.21Å; H259-S262 PolarHBondContact O-N 3.11Å; H259-S262 VanDerWaalsContact O-N 3.08Å; S262-N266 VanDerWaalsContact O-CB 3.26Å; S262-N266 WeakPolarHBondContact O-CB 3.39Å; S262-N266 PolarHBondContact O-N 3.34Å; S262-N266 VanDerWaalsContact O-N 3.15Å; S262-N266 PolarHBondContact O-ND2 3.09Å; S262-N266 PolarHBondContact O-OD1 3.08Å
263M80.8Confident73Confident108 Ų108112.7 Ų112.753%0.53260%0.599SS.*Hα-helixtrans-68.7-38.1177.4-66.4-176.178.100112.2H259 L260 R261 S267H259-M263 VanDerWaalsContact CD2-SD 3.59Å; H259-M263 PolarHBondContact NE2-SD 3.45Å; H259-M263 WeakPolarHBondContact O-CG 3.46Å; H259-M263 PolarHBondContact O-N 3.45Å; L260-M263 PolarHBondContact O-N 3.44Å; R261-M263 VanDerWaalsContact C-N 3.3Å; R261-M263 PolarHBondContact O-N 3.15Å; M263-S267 PolarHBondContact O-OG 3.32Å
264M77.9Confident70.6Confident135 Ų135113.7 Ų113.767%0.66561%0.614SS**Hα-helixtrans-69.4-46.1177.5-165.982.176.600111.7L260 R261 N266 S267L260-M264 PolarHBondContact O-N 3.43Å; R261-M264 PolarHBondContact O-N 2.96Å; M264-N266 PolarHBondContact O-N 3.46Å; M264-S267 PolarHBondContact O-N 3.16Å
265D72.3Confident68.6Low84 Ų84115.1 Ų115.145%0.44962%0.621SS.*Hα-helixtrans-71.5-31.7-175.2-65.2-12.8000111.9R261 S267 T268R261-D265 WeakPolarHBondContact CG-OD2 3.26Å; R261-D265 WeakPolarHBondContact O-CB 3.33Å; R261-D265 VanDerWaalsContact O-CG 3.23Å; R261-D265 PolarHBondContact O-N 3.3Å; D265-S267 PolarHBondContact O-N 2.79Å; D265-T268 PolarHBondContact O-N 2.95Å
266N60.3Low66.6Low90 Ų90115.9 Ų115.948%0.48163%0.626SS.*THydrogen-bonded Turntrans-72-11.4176.2-66.6-6.3000113S262 M264 K273S262-N266 VanDerWaalsContact O-CB 3.26Å; S262-N266 WeakPolarHBondContact O-CB 3.39Å; S262-N266 PolarHBondContact O-N 3.34Å; S262-N266 VanDerWaalsContact O-N 3.15Å; S262-N266 PolarHBondContact O-ND2 3.09Å; S262-N266 PolarHBondContact O-OD1 3.08Å; M264-N266 PolarHBondContact O-N 3.46Å; N266-K273 PolarHBondContact OD1-NZ 2.69Å
267S56.1Low64.2Low101 Ų101115 Ų11571%0.70663%0.628SS**THydrogen-bonded Turntrans-87.9-7.6-179.7-60.80000113.6M263 M264 D265M263-S267 PolarHBondContact O-OG 3.32Å; M264-S267 PolarHBondContact O-N 3.16Å; D265-S267 PolarHBondContact O-N 2.79Å
268T53.1Low62.1Low125 Ų125117.8 Ų117.877%0.76765%0.648SS**SBendtrans-1267.1-176.159.40000115.4D265D265-T268 PolarHBondContact O-N 2.95Å
269S45.2Very low59.8Low78 Ų78121.8 Ų121.855%0.54566%0.658SS.*  trans-140.495174.163.50000110.1E271S269-E271 PolarHBondContact O-N 3.07Å
270G47.3Very low57.8Low83 Ų83123.8 Ų123.886%0.85667%0.672SS**  trans-75.639.7173.400000113.2
271E52.2Low55.5Low157 Ų157125.9 Ų125.973%0.73468%0.683SS**SBendtrans-148.2110.1-178.1-56.7-177.5-155.700110.5S269S269-E271 PolarHBondContact O-N 3.07Å
272E49.5Very low53.9Low175 Ų175123.6 Ų123.682%0.81869%0.693SS**  trans63.375.8148.32.3-167.4176.900119.2S274E272-S274 PolarHBondContact O-N 3.14Å
273K46.8Very low52Low161 Ų161124.8 Ų124.870%0.771%0.712SS**  trans-9480.2162.1-143.1174.1-163.2170.60109.7N266 Q275N266-K273 PolarHBondContact OD1-NZ 2.69Å; K273-Q275 PolarHBondContact O-N 3.48Å
274S45.9Very low50.3Low108 Ų108128.4 Ų128.476%0.75573%0.732SS**  trans-73.4114.8164.3-72.80000109.3E272 S276E272-S274 PolarHBondContact O-N 3.14Å; S274-S276 PolarHBondContact O-N 3.34Å
275Q47.3Very low48.6Very low175 Ų175125.6 Ų125.682%0.81874%0.738SS**  trans-46.8124.1167-74.8165.6-92.400110.5K273K273-Q275 PolarHBondContact O-N 3.48Å
276S49.3Very low47.5Very low100 Ų100127.6 Ų127.670%0.69976%0.756SS**  trans-119.987.7151.742.10000107.1S274 N278S274-S276 PolarHBondContact O-N 3.34Å; S276-N278 VanDerWaalsContact C-N 3.34Å; S276-N278 PolarHBondContact O-N 3.21Å; S276-N278 VanDerWaalsContact O-N 3.15Å
277D44.1Very low46.6Very low135 Ų135125.9 Ų125.972%0.72276%0.759SS**  trans-62.699.4153.3-89.4-45.9000107.2H279D277-H279 PolarHBondContact O-N 3.22Å
278N49.1Very low46.4Very low153 Ų153132 Ų13282%0.81877%0.767SS**  trans-90.276.7157.5-72.3-36.7000107.1S276S276-N278 VanDerWaalsContact C-N 3.34Å; S276-N278 PolarHBondContact O-N 3.21Å; S276-N278 VanDerWaalsContact O-N 3.15Å
279H41.1Very low46.2Very low159 Ų159133.7 Ų133.774%0.73677%0.766SS**  trans-84.299.7158.9174.3-80.7000107.3D277D277-H279 PolarHBondContact O-N 3.22Å
280L47.8Very low46.5Very low165 Ų165137.1 Ų137.186%0.86478%0.779SS**  trans-136.2117.5153.7-73.1179.8000108.9
281D39.7Very low46.8Very low142 Ų142140.2 Ų140.276%0.75977%0.774SS**  trans84.882.9139.7-15531000117.3
282S46.9Very low46.7Very low119 Ų119143.8 Ų143.883%0.83278%0.781SS**  trans-171.894.1136.7-77.30000110.7
283G39.8Very low46.8Very low67 Ų67141.1 Ų141.169%0.69178%0.781SS**  trans66.9113.2136.700000121
284L45.7Very low47.6Very low184 Ų184138.4 Ų138.496%0.96378%0.78SS**  trans82.3117.6137.4-52.6170.9000119.3
285G40.5Very low47.6Very low76 Ų76143.2 Ų143.278%0.78479%0.788SS**  trans127.2119143.600000116.1
286P49.6Very low48Very low127 Ų127146.4 Ų146.483%0.82579%0.792SS**  trans-99.1169.6-155.539.5-36.4000115.4
287G40.9Very low48.5Very low54 Ų54150.4 Ų150.456%0.55780%0.797SS**  trans92.698.4134.300000117
288R53.5Low49.1Very low229 Ų229150.1 Ų150.186%0.86480%0.802SS**  trans-175.3101.6139.443.8-164166.7-82.92.1108.8
289E47.5Very low49.2Very low161 Ų161149.3 Ų149.375%0.75280%0.798SS**  trans-76.3131.2168.339.1-87142.300110.4
290D52.4Low49.7Very low150 Ų150147 Ų14780%0.80280%0.8SS**  trans-15990.6157.8-85.1-39.3000106.6
291I52.9Low49.8Very low147 Ų147143.6 Ų143.675%0.75479%0.79SS**  58.571.193.5-51.3163.2000112.5
292W51.5Low50.3Low232 Ų232142.7 Ų142.788%0.87979%0.792SS**  trans-162.1104.1142.6-135.9-56000110.8
293S49.9Very low50.8Low119 Ų119145 Ų14583%0.83279%0.789SS**  trans-137.2107168.6-79.70000109.5K295S293-K295 PolarHBondContact O-N 3.36Å
294P63.5Low51.7Low104 Ų104146.5 Ų146.568%0.67579%0.789SS**  trans-76.5116.2168.1-17.733.4000110.7R296P294-R296 PolarHBondContact O-N 3.41Å
295K47Very low52.2Low210 Ų210146 Ų14691%0.91379%0.786SS**  trans-47127.2170.3-74.1-171.2174.8-178.60111.8S293S293-K295 PolarHBondContact O-N 3.36Å
296R55.7Low53.1Low241 Ų241147.3 Ų147.391%0.90977%0.774SS**  trans-128.5132.6152-63.2-166-146.3170.88.3109.7P294P294-R296 PolarHBondContact O-N 3.41Å
297K60Low53.7Low184 Ų184150.8 Ų150.880%0.878%0.777SS**  trans-70.1149.6-174.4-62-175176.6-178.20111.6
298P56Low54.7Low129 Ų129149.4 Ų149.484%0.83876%0.763SS**  trans-86.1110.817033-27.3000109.6
299N51.4Low55.1Low137 Ų137145.5 Ų145.573%0.73375%0.754SS**  trans-102.7109.2167.6-70.88.3000109.1
300S52.1Low55.8Low111 Ų111144.8 Ų144.878%0.77675%0.751SS**  trans39.3125.2144.267.60000121.6
301S50.2Low56.4Low92 Ų92143.5 Ų143.564%0.64374%0.742SS**  trans98.5110.3143-155.10000117.3H303S301-H303 PolarHBondContact O-N 2.94Å
302P50Low57Low124 Ų124143.3 Ų143.381%0.80574%0.742SS**  trans-87.392.9171.434.8-25.9000108.6S304P302-S304 PolarHBondContact O-N 3.35Å
303H56.2Low57.8Low168 Ų168143 Ų14378%0.77874%0.741SS**  trans-86.197.4151.3-86-74.8000107S301 L305S301-H303 PolarHBondContact O-N 2.94Å; H303-L305 PolarHBondContact O-N 3.47Å
304S58.6Low58.8Low98 Ų98143 Ų14369%0.68574%0.738SS**  trans-55.8108.6163.346.40000107.9P302 I306P302-S304 PolarHBondContact O-N 3.35Å; S304-I306 PolarHBondContact O-N 2.9Å
305L57.1Low59.2Low174 Ų174144.1 Ų144.191%0.91174%0.743SS**  trans-6691.2169.3-74.9164.2000107.4H303 F307H303-L305 PolarHBondContact O-N 3.47Å; L305-F307 VanDerWaalsContact C-N 3.35Å; L305-F307 PolarHBondContact O-N 2.7Å
306I59Low60.1Low102 Ų102141.5 Ų141.552%0.52374%0.739SS.*  trans-65.4100.3165-74.1166.9000106.5S304 G308 Q309S304-I306 PolarHBondContact O-N 2.9Å; I306-G308 PolarHBondContact O-N 2.77Å; I306-Q309 HydrophobicContact CG2-CB 4.23Å; I306-Q309 HydrophobicContact CG2-CG 4.05Å
307F61.8Low60.5Low200 Ų200141 Ų14188%0.87774%0.737SS**THydrogen-bonded Turntrans-55.7123.4172.2-161.5-92.3000109.1L305L305-F307 VanDerWaalsContact C-N 3.35Å; L305-F307 PolarHBondContact O-N 2.7Å
308G61.7Low60.8Low26 Ų26142.8 Ų142.827%0.26874%0.739SS.*THydrogen-bonded Turntrans103.4-7172.400000117.7I306 H310 I311I306-G308 PolarHBondContact O-N 2.77Å; G308-H310 VanDerWaalsContact C-N 3.34Å; G308-H310 PolarHBondContact O-N 3.39Å; G308-I311 PolarHBondContact O-N 3.14Å
309Q63Low61.5Low146 Ų146142.3 Ų142.368%0.68274%0.735SS**THydrogen-bonded Turntrans-73.8-20.1179-108.7177.50.700114.5I306I306-Q309 HydrophobicContact CG2-CB 4.23Å; I306-Q309 HydrophobicContact CG2-CG 4.05Å
310H62Low62.3Low147 Ų147143.3 Ų143.368%0.68174%0.741SS**THydrogen-bonded Turntrans-83.7-11.9177.259.3-91.9000113.8G308G308-H310 VanDerWaalsContact C-N 3.34Å; G308-H310 PolarHBondContact O-N 3.39Å
311I65.4Low63Low122 Ų122148 Ų14863%0.62675%0.747SS**THydrogen-bonded Turntrans-83.6-21.9-176.2-53.6-179.8000111.5G308G308-I311 PolarHBondContact O-N 3.14Å
312L65.2Low63.7Low144 Ų144148.6 Ų148.675%0.75476%0.758SS**  trans-11282.1-180-67.1169.3000109.9P314L312-P314 WeakPolarHBondContact O-CD 3.33Å
313R69Low64.1Low225 Ų225154 Ų15485%0.84978%0.78SS**  trans-66.4128.3164.9-72.1-176177.1166.2-0.3108.8V315R313-V315 PolarHBondContact O-N 3.08Å; R313-V315 VanDerWaalsContact O-N 3.14Å
314P69.5Low64.5Low120 Ų120153.3 Ų153.378%0.77978%0.78SS**  trans-59.4117.5169.6-20.131.2000109.8L312 N316L312-P314 WeakPolarHBondContact O-CD 3.33Å; P314-N316 PolarHBondContact O-N 3.17Å
315V72.8Confident64.8Low126 Ų126156.2 Ų156.276%0.76479%0.785SS**  trans-71.2106.8167.2171.50000107.1R313 R317R313-V315 PolarHBondContact O-N 3.08Å; R313-V315 VanDerWaalsContact O-N 3.14Å; V315-R317 PolarHBondContact O-N 2.95Å
316N64.6Low65.2Low155 Ų155155.2 Ų155.283%0.82978%0.778SS**  trans-54.2102.7170.9-86.9-28.9000110.1P314P314-N316 PolarHBondContact O-N 3.17Å
317R64.8Low65.6Low231 Ų231158.4 Ų158.487%0.87279%0.793SS**  trans-85.5112.7162.4-67.1-172-175.9172.72.1107.5V315V315-R317 PolarHBondContact O-N 2.95Å
318R67.1Low65.8Low222 Ų222155.8 Ų155.884%0.83879%0.788SS**  trans-61.4140.9171.5-69.7179.9178.2163.5-0.9109.6
319P69.9Low66.1Low119 Ų119164.4 Ų164.477%0.77382%0.822SS**  trans-80.8113.9164.730.7-28.1000108.8K321P319-K321 PolarHBondContact O-N 3.41Å
320D68Low66.3Low157 Ų157165.7 Ų165.784%0.8483%0.832SS**PPolyproline II helixtrans-70.8122.4164.6-72.2-31.9000108.4
321K66.5Low66.7Low209 Ų209167.2 Ų167.291%0.90984%0.844SS**PPolyproline II helixtrans-70125.5177.9-69.1176.3176.2178.70109.1P319P319-K321 PolarHBondContact O-N 3.41Å
322A66.5Low66.8Low105 Ų105170.9 Ų170.987%0.86886%0.862SS**PPolyproline II helixtrans-73.6133.5159.900000109.4
323N57.7Low66.9Low238 Ų238173.4 Ų173.4100%1.27387%0.872SS**  trans-135.30152.1-153.631.5000106.6

Retrieved 323 of 323 residues in 134.3 ms (Link to these results)