A0A096M8I8_POEFO Loading...

Sperm associated antigen 8

AlphaFold DB , UniProt , Accession A0A096M8I8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 187 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
1M45.4Very low43.3Very low247 Ų247162.4 Ų162.4100%1.21785%0.852SS**  084.30-69.6-82.3-105.100107.3
2A37.9Very low44.3Very low102 Ų102157 Ų15784%0.84383%0.834SS**  trans-163.4137167.500000106.6
3E37.5Very low45.2Very low193 Ų193163.4 Ų163.490%0.90284%0.839SS**PPolyproline II helixtrans-70.3149-159-64.2162.6162.500113.6
4E36Very low46.1Very low184 Ų184157.3 Ų157.386%0.8684%0.837SS**PPolyproline II helixtrans-74.2134.7168.6-64.9-174.6160.500110.2
5P44.8Very low47.5Very low123 Ų123155.6 Ų155.680%0.79983%0.826SS**PPolyproline II helixtrans-78.8122.8162.430.2-28.7000109.6A7P5-A7 PolarHBondContact O-N 3.2Å; P5-A7 VanDerWaalsContact O-N 3.13Å
6V41Very low49Very low134 Ų134153.6 Ų153.681%0.81282%0.815SS**  trans-49.3111.9175.3174.60000110.2E8V6-E8 PolarHBondContact O-N 3.31Å; V6-E8 VanDerWaalsContact O-N 3.15Å
7A42.1Very low50.2Low87 Ų87153.3 Ų153.372%0.71981%0.805SS**  trans-68.9106168.600000108.4P5 E9P5-A7 PolarHBondContact O-N 3.2Å; P5-A7 VanDerWaalsContact O-N 3.13Å; A7-E9 PolarHBondContact O-N 3.43Å
8E47.1Very low51.6Low178 Ų178152.7 Ų152.783%0.83280%0.802SS**  trans-61.7103.8163.8-74.4-174.616100108.1V6 I10V6-E8 PolarHBondContact O-N 3.31Å; V6-E8 VanDerWaalsContact O-N 3.15Å; E8-I10 PolarHBondContact O-N 2.83Å
9E42Very low52.9Low173 Ų173148.9 Ų148.981%0.80878%0.783SS**  trans-60.5106.8173.7-88.6-172.7148.300109.7A7 R11A7-E9 PolarHBondContact O-N 3.43Å; E9-R11 VanDerWaalsContact C-N 3.32Å; E9-R11 PolarHBondContact O-N 2.98Å
10I53.3Low54.2Low146 Ų146146.4 Ų146.475%0.74976%0.762SS**  trans-63.294.7166.2-57.9170.7000106.7E8 P12E8-I10 PolarHBondContact O-N 2.83Å; I10-P12 WeakPolarHBondContact O-CD 3.38Å
11R49.2Very low55.4Low219 Ų219143.6 Ų143.683%0.82675%0.751SS**  trans-67.1115.6177.5-61.3-170.6-151-156.55108.8E9 R13E9-R11 VanDerWaalsContact C-N 3.32Å; E9-R11 PolarHBondContact O-N 2.98Å; R11-R13 PolarHBondContact O-N 2.75Å
12P55.5Low56.8Low98 Ų98137.3 Ų137.364%0.63672%0.719SS**  trans-62.6132.117126.6-31.6000107.9I10 G14I10-P12 WeakPolarHBondContact O-CD 3.38Å; P12-G14 PolarHBondContact O-N 3.25Å
13R56.3Low58.6Low240 Ų240138.2 Ų138.291%0.90671%0.706SS**  trans-56.5105.1173.4-68.5-175.9-176.7-124.21.3107.2R11 I15R11-R13 PolarHBondContact O-N 2.75Å; R13-I15 PolarHBondContact O-N 3.29Å
14G57.7Low60.4Low78 Ų78135.1 Ų135.180%0.80469%0.69SS**  trans-77.644.9-163.500000114.7P12P12-G14 PolarHBondContact O-N 3.25Å
15I67.2Low62.3Low132 Ų132129.7 Ų129.768%0.67768%0.676SS**  trans-134.9116.7-179.7-49.4179.3000108.8R13 K17R13-I15 PolarHBondContact O-N 3.29Å; I15-K17 HydrophobicContact CG2-CB 3.88Å; I15-K17 PolarHBondContact O-N 3.27Å
16L70.2Confident63.6Low123 Ų123125.9 Ų125.964%0.64465%0.651SS**  trans-76.865.3175.1-70.2158.2000109.9W20L16-W20 HydrophobicContact CD2-CD2 3.25Å; L16-W20 HydrophobicContact CD2-CE3 3.34Å; L16-W20 HydrophobicContact CD2-CG 3.92Å; L16-W20 HydrophobicContact CD2-CH2 3.58Å; L16-W20 HydrophobicContact CD2-CZ2 3.51Å; L16-W20 HydrophobicContact CD2-CZ3 3.51Å
17K69.8Low65Low149 Ų149122.4 Ų122.465%0.64864%0.635SS**  trans-130.6142.7179.2-163.1175.2179.4-1750108.9I15I15-K17 HydrophobicContact CG2-CB 3.88Å; I15-K17 PolarHBondContact O-N 3.27Å
18D76.3Confident66.2Low142 Ų142121.6 Ų121.676%0.75963%0.629SS**SBendtrans62.9-142.5-176.4-49.5-38.5000113.6W20D18-W20 PolarHBondContact O-N 3.16Å
19N75.9Confident67.1Low82 Ų82116.1 Ų116.144%0.43961%0.605SS.*SBendtrans-79.543.7-170.9-163.813.3000113.9V21 E22 E23N19-V21 PolarHBondContact O-N 3.38Å; N19-E22 WeakPolarHBondContact ND2-CB 3.37Å; N19-E22 PolarHBondContact ND2-OE2 3.03Å; N19-E22 PolarHBondContact O-N 3.1Å; N19-E22 VanDerWaalsContact OD1-CB 3.24Å; N19-E22 WeakPolarHBondContact OD1-CB 3.38Å; N19-E23 WeakPolarHBondContact O-CB 3.38Å; N19-E23 WeakPolarHBondContact O-CG 3.3Å; N19-E23 PolarHBondContact O-N 3.2Å
20W78.2Confident68.1Low97 Ų97111.7 Ų111.737%0.36759%0.587SS.*Hα-helixtrans-63.6-26.5-171.474.7-89.9000113.6L16 D18 K24L16-W20 HydrophobicContact CD2-CD2 3.25Å; L16-W20 HydrophobicContact CD2-CE3 3.34Å; L16-W20 HydrophobicContact CD2-CG 3.92Å; L16-W20 HydrophobicContact CD2-CH2 3.58Å; L16-W20 HydrophobicContact CD2-CZ2 3.51Å; L16-W20 HydrophobicContact CD2-CZ3 3.51Å; D18-W20 PolarHBondContact O-N 3.16Å; W20-K24 HydrophobicContact CE3-CD 3.85Å; W20-K24 HydrophobicContact CE3-CG 4.4Å; W20-K24 HydrophobicContact CZ3-CD 3.91Å; W20-K24 WeakPolarHBondContact O-CB 3.24Å; W20-K24 WeakPolarHBondContact O-CG 3.46Å; W20-K24 PolarHBondContact O-N 3.26Å
21V78.9Confident68.5Low88 Ų88110 Ų11053%0.53358%0.578SS.*Hα-helixtrans-71.6-48.6-179.4179.10000110.6N19 K24 A25N19-V21 PolarHBondContact O-N 3.38Å; V21-K24 PolarHBondContact O-N 3.4Å; V21-A25 WeakPolarHBondContact O-CB 3.24Å; V21-A25 PolarHBondContact O-N 3.38Å
22E75.8Confident69Low115 Ų115104.9 Ų104.954%0.53757%0.568SS.*Hα-helixtrans-67.8-40.1177-167.8170.8179.500110.7N19 K24 A25 V26N19-E22 WeakPolarHBondContact ND2-CB 3.37Å; N19-E22 PolarHBondContact ND2-OE2 3.03Å; N19-E22 PolarHBondContact O-N 3.1Å; N19-E22 VanDerWaalsContact OD1-CB 3.24Å; N19-E22 WeakPolarHBondContact OD1-CB 3.38Å; E22-K24 VanDerWaalsContact C-N 3.34Å; E22-K24 PolarHBondContact O-N 3.37Å; E22-A25 PolarHBondContact O-N 2.63Å; E22-A25 VanDerWaalsContact O-N 3.15Å; E22-V26 HydrophobicContact CG-CG2 4.31Å; E22-V26 WeakPolarHBondContact O-CB 3.47Å; E22-V26 WeakPolarHBondContact O-CG2 3.44Å; E22-V26 PolarHBondContact O-N 2.93Å
23E74.6Confident69.1Low122 Ų122105.7 Ų105.757%0.5757%0.566SS**Hα-helixtrans-59.4-42.5175.4-74.1-179.3-171.200112.3N19 A27N19-E23 WeakPolarHBondContact O-CB 3.38Å; N19-E23 WeakPolarHBondContact O-CG 3.3Å; N19-E23 PolarHBondContact O-N 3.2Å; E23-A27 VanDerWaalsContact O-CB 3.28Å; E23-A27 WeakPolarHBondContact O-CB 3.39Å; E23-A27 PolarHBondContact O-N 3.42Å
24K76.6Confident69.2Low128 Ų128104 Ų10456%0.55757%0.566SS**Hα-helixtrans-68.3-37.2174.6-82.8-166.7176.4179.10113W20 V21 E22W20-K24 HydrophobicContact CE3-CD 3.85Å; W20-K24 HydrophobicContact CE3-CG 4.4Å; W20-K24 HydrophobicContact CZ3-CD 3.91Å; W20-K24 WeakPolarHBondContact O-CB 3.24Å; W20-K24 WeakPolarHBondContact O-CG 3.46Å; W20-K24 PolarHBondContact O-N 3.26Å; V21-K24 PolarHBondContact O-N 3.4Å; E22-K24 VanDerWaalsContact C-N 3.34Å; E22-K24 PolarHBondContact O-N 3.37Å
25A75.4Confident69.1Low69 Ų69107.5 Ų107.557%0.5756%0.559SS**Hα-helixtrans-66.7-38.4177.300000111.8V21 E22V21-A25 WeakPolarHBondContact O-CB 3.24Å; V21-A25 PolarHBondContact O-N 3.38Å; E22-A25 PolarHBondContact O-N 2.63Å; E22-A25 VanDerWaalsContact O-N 3.15Å
26V71.5Confident68.6Low44 Ų44105 Ų10527%0.26754%0.543SS..Hα-helixtrans-82-22.5179.6177.80000112.4E22 A28 L29 N30 L40E22-V26 HydrophobicContact CG-CG2 4.31Å; E22-V26 WeakPolarHBondContact O-CB 3.47Å; E22-V26 WeakPolarHBondContact O-CG2 3.44Å; E22-V26 PolarHBondContact O-N 2.93Å; V26-A28 VanDerWaalsContact C-N 3.28Å; V26-A28 PolarHBondContact O-N 3.27Å; V26-L29 WeakPolarHBondContact O-CB 3.39Å; V26-L29 PolarHBondContact O-N 3.34Å; V26-N30 PolarHBondContact O-N 3.19Å; V26-L40 HydrophobicContact CG1-CD2 3.71Å
27A71.8Confident68Low60 Ų60103.1 Ų103.150%0.49654%0.54SS..Hα-helixtrans-54.5-41.1-178.500000113.3E23 L29 N30E23-A27 VanDerWaalsContact O-CB 3.28Å; E23-A27 WeakPolarHBondContact O-CB 3.39Å; E23-A27 PolarHBondContact O-N 3.42Å; A27-L29 VanDerWaalsContact C-N 3.28Å; A27-L29 PolarHBondContact O-N 3.15Å; A27-N30 PolarHBondContact O-N 3.01Å
28A67.2Low67.4Low71 Ų71101.3 Ų101.359%0.58754%0.541SS*.THydrogen-bonded Turntrans-69.8-22.9177.900000113.4V26 I31V26-A28 VanDerWaalsContact C-N 3.28Å; V26-A28 PolarHBondContact O-N 3.27Å; A28-I31 VanDerWaalsContact O-CD1 3.24Å; A28-I31 WeakPolarHBondContact O-CD1 3.27Å; A28-I31 WeakPolarHBondContact O-CG1 2.91Å
29L64.9Low66.7Low62 Ų62100 Ų10033%0.32553%0.525SS..THydrogen-bonded Turntrans-85.5-17.9179.5-62.4175.5000112.7V26 A27 I31V26-L29 WeakPolarHBondContact O-CB 3.39Å; V26-L29 PolarHBondContact O-N 3.34Å; A27-L29 VanDerWaalsContact C-N 3.28Å; A27-L29 PolarHBondContact O-N 3.15Å; L29-I31 VanDerWaalsContact C-N 3.35Å; L29-I31 PolarHBondContact O-N 2.84Å
30N63.3Low66Low81 Ų81100.7 Ų100.743%0.43353%0.529SS..  trans-90.816.1-170.7-151.421.7000114.5V26 A27 D32 K36V26-N30 PolarHBondContact O-N 3.19Å; A27-N30 PolarHBondContact O-N 3.01Å; N30-D32 VanDerWaalsContact C-N 3.34Å; N30-D32 PolarHBondContact O-N 2.97Å; N30-K36 VanDerWaalsContact OD1-CE 3.27Å; N30-K36 WeakPolarHBondContact OD1-CE 3.4Å
31I62Low65.3Low110 Ų110102.7 Ų102.756%0.56455%0.547SS*.SBendtrans-74.8-17.9-170.2-61173.1000113.3A28 L29A28-I31 VanDerWaalsContact O-CD1 3.24Å; A28-I31 WeakPolarHBondContact O-CD1 3.27Å; A28-I31 WeakPolarHBondContact O-CG1 2.91Å; L29-I31 VanDerWaalsContact C-N 3.35Å; L29-I31 PolarHBondContact O-N 2.84Å
32D58.9Low64.6Low112 Ų11299.6 Ų99.660%0.59953%0.533SS*.  trans-141.5115.5-178.6-81.8-47.8000113.5N30 K34N30-D32 VanDerWaalsContact C-N 3.34Å; N30-D32 PolarHBondContact O-N 2.97Å; D32-K34 PolarHBondContact O-N 3.3Å
33D57.7Low64.2Low115 Ų115100.1 Ų100.162%0.61554%0.535SS*.THydrogen-bonded Turntrans-64.2-9.3-171.1-8216.6000116.2K36D33-K36 WeakPolarHBondContact OD1-CE 3.18Å; D33-K36 IonicContact OD1-NZ 2.66Å; D33-K36 PolarHBondContact OD1-NZ 3.14Å; D33-K36 IonicContact OD2-NZ 2.97Å; D33-K36 PolarHBondContact OD2-NZ 2.87Å
34K58.6Low63.8Low204 Ų204102 Ų10289%0.88754%0.543SS*.THydrogen-bonded Turntrans-89.4-11.5-174.3-63.8-176.7-178.51770114.7D32D32-K34 PolarHBondContact O-N 3.3Å
35K55.4Low63.2Low152 Ų15298.9 Ų98.966%0.66155%0.548SS*.SBendtrans-134.323.9-175.8-67.9-176.6-179174.80114.6S37K35-S37 VanDerWaalsContact C-N 3.3Å; K35-S37 PolarHBondContact O-N 2.87Å
36K56.8Low62.8Low79 Ų79101.9 Ų101.934%0.34355%0.554SS.*Hα-helixtrans-53.3-41.1-176.3-72.3174.9163.5165.90113.8N30 D33 V38 L40N30-K36 VanDerWaalsContact OD1-CE 3.27Å; N30-K36 WeakPolarHBondContact OD1-CE 3.4Å; D33-K36 WeakPolarHBondContact OD1-CE 3.18Å; D33-K36 IonicContact OD1-NZ 2.66Å; D33-K36 PolarHBondContact OD1-NZ 3.14Å; D33-K36 IonicContact OD2-NZ 2.97Å; D33-K36 PolarHBondContact OD2-NZ 2.87Å; K36-V38 PolarHBondContact O-N 3.39Å; K36-L40 HydrophobicContact CB-CD1 4.44Å; K36-L40 WeakPolarHBondContact O-CD1 3.41Å; K36-L40 VanDerWaalsContact O-CG 3.3Å; K36-L40 WeakPolarHBondContact O-CG 3.45Å; K36-L40 PolarHBondContact O-N 3.48Å
37S57.7Low62.5Low84 Ų84104.2 Ų104.259%0.58756%0.564SS**Hα-helixtrans-67.3-35.2-170.8164.10000115.4K35K35-S37 VanDerWaalsContact C-N 3.3Å; K35-S37 PolarHBondContact O-N 2.87Å
38V58.4Low62.1Low110 Ų110107.6 Ų107.667%0.66758%0.579SS**Hα-helixtrans-82.6-30.9-173.2-179.40000111.8K36K36-V38 PolarHBondContact O-N 3.39Å
39R60.7Low62.1Low114 Ų114110.2 Ų110.243%0.4358%0.581SS.*Hα-helixtrans-80.1-32179.9-67.3-177.8178.1175.2-1.9113
40L61.8Low62Low97 Ų97112 Ų11251%0.50859%0.591SS.*Hα-helixtrans-72.7-32.2177.6-71.2167.8000112.4V26 K36V26-L40 HydrophobicContact CG1-CD2 3.71Å; K36-L40 HydrophobicContact CB-CD1 4.44Å; K36-L40 WeakPolarHBondContact O-CD1 3.41Å; K36-L40 VanDerWaalsContact O-CG 3.3Å; K36-L40 WeakPolarHBondContact O-CG 3.45Å; K36-L40 PolarHBondContact O-N 3.48Å
41N62.7Low62Low140 Ų140119.5 Ų119.575%0.74961%0.613SS**SBendtrans-104.810.5-171.6-63.9-2.6000113.6
42G64.1Low62.1Low23 Ų23117.7 Ų117.724%0.23762%0.622CS.*  trans-136.4136.8-17200000113.9
43H68.9Low62.2Low125 Ų125115.1 Ų115.158%0.57961%0.612SS**  trans-90.2116.9174.8-172-77.5000110.4G45 L46 I47H43-G45 PolarHBondContact ND1-N 2.87Å; H43-G45 VanDerWaalsContact ND1-N 3.19Å; H43-G45 PolarHBondContact O-N 3.04Å; H43-G45 VanDerWaalsContact O-N 3.09Å; H43-L46 HydrophobicContact CB-CB 4.24Å; H43-L46 HydrophobicContact CB-CD1 4.1Å; H43-L46 HydrophobicContact CB-CG 4.37Å; H43-L46 PolarHBondContact O-N 3.43Å; H43-I47 PolarHBondContact O-N 3.03Å
44E65.2Low62.6Low161 Ų161117.1 Ų117.175%0.75262%0.615SS**THydrogen-bonded Turntrans-58.8-27.8-173-63-170.5157.400113.6
45G64.3Low62.7Low63 Ų63116.1 Ų116.165%0.64962%0.616SS**THydrogen-bonded Turntrans-85.6-12177.600000116.2H43H43-G45 PolarHBondContact ND1-N 2.87Å; H43-G45 VanDerWaalsContact ND1-N 3.19Å; H43-G45 PolarHBondContact O-N 3.04Å; H43-G45 VanDerWaalsContact O-N 3.09Å
46L66.2Low63Low133 Ų133117.5 Ų117.570%0.69663%0.625SS**THydrogen-bonded Turntrans-108.4-24.6-176-69.4173000112.8H43 T48H43-L46 HydrophobicContact CB-CB 4.24Å; H43-L46 HydrophobicContact CB-CD1 4.1Å; H43-L46 HydrophobicContact CB-CG 4.37Å; H43-L46 PolarHBondContact O-N 3.43Å; L46-T48 PolarHBondContact O-N 3.2Å
47I65.8Low63.2Low92 Ų92118.6 Ų118.647%0.47264%0.639SS.*  trans-87.192.7178.9-53.2176.8000108.9H43 I49H43-I47 PolarHBondContact O-N 3.03Å; I47-I49 HydrophobicContact CG2-CD1 4.25Å; I47-I49 HydrophobicContact CG2-CG1 3.61Å; I47-I49 PolarHBondContact O-N 3.08Å
48T64.8Low63.5Low132 Ų132119.9 Ų119.981%0.8164%0.638SS**  trans-78.583.1169.942.30000110.1L46 N50L46-T48 PolarHBondContact O-N 3.2Å; T48-N50 PolarHBondContact O-N 3.26Å
49I65.3Low64.3Low125 Ų125118 Ų11864%0.64163%0.63SS**  trans-71.397.3171.7-52.1179.4000108.3I47 R51I47-I49 HydrophobicContact CG2-CD1 4.25Å; I47-I49 HydrophobicContact CG2-CG1 3.61Å; I47-I49 PolarHBondContact O-N 3.08Å; I49-R51 VanDerWaalsContact C-N 3.34Å; I49-R51 HydrophobicContact CG2-CG 4.15Å; I49-R51 PolarHBondContact O-N 2.66Å
50N64.3Low64.8Low100 Ų100120 Ų12054%0.53565%0.648SS.*  trans-76.687.2175.4-155.1-18.5000109.5T48 G52 C53T48-N50 PolarHBondContact O-N 3.26Å; N50-G52 PolarHBondContact O-N 2.95Å; N50-C53 HydrophobicContact CB-CB 4.49Å; N50-C53 PolarHBondContact O-N 2.97Å
51R63.4Low65.3Low238 Ų238122.1 Ų122.190%0.89865%0.654SS**THydrogen-bonded Turntrans-60.1-14.5-172.5-66-177-177.9177.52.2114.6I49I49-R51 VanDerWaalsContact C-N 3.34Å; I49-R51 HydrophobicContact CG2-CG 4.15Å; I49-R51 PolarHBondContact O-N 2.66Å
52G63.1Low65.7Low73 Ų73117.8 Ų117.875%0.75364%0.642SS**THydrogen-bonded Turntrans-92.4-6.5177.900000115.1N50N50-G52 PolarHBondContact O-N 2.95Å
53C61.5Low66Low57 Ų57120.2 Ų120.239%0.38566%0.66SS.*SBendtrans-114.8133.7-176.3-66.50000111N50 M55 L58N50-C53 HydrophobicContact CB-CB 4.49Å; N50-C53 PolarHBondContact O-N 2.97Å; C53-M55 PolarHBondContact O-N 2.98Å; C53-L58 HydrophobicContact CB-CD1 3.64Å; C53-L58 HydrophobicContact CB-CD2 4.39Å; C53-L58 HydrophobicContact CB-CG 4Å
54K65.2Low66.4Low157 Ų157118.4 Ų118.468%0.68366%0.662SS**  trans-67.8130.3167.3-63.6-179.4-179.3-178.30107.8E56 T57K54-E56 PolarHBondContact O-N 2.95Å; K54-E56 VanDerWaalsContact O-N 3.09Å; K54-T57 PolarHBondContact O-N 3.07Å; K54-T57 PolarHBondContact O-OG1 3.15Å
55M61.4Low66.9Low183 Ų183118.5 Ų118.590%0.90166%0.656SS**G310 helixtrans-54.7-32-177.1-155.998-17800112.2C53 T57C53-M55 PolarHBondContact O-N 2.98Å; M55-T57 PolarHBondContact O-N 2.76Å
56E62Low67.5Low181 Ų181121.5 Ų121.585%0.84666%0.656SS**G310 helixtrans-64-21.6178.1-61.9168.2-170.800113.7K54K54-E56 PolarHBondContact O-N 2.95Å; K54-E56 VanDerWaalsContact O-N 3.09Å
57T59.8Low68Low103 Ų103120.5 Ų120.563%0.63266%0.657SS**G310 helixtrans-97.2-12.8-172.2-31.20000113.1K54 M55 S59K54-T57 PolarHBondContact O-N 3.07Å; K54-T57 PolarHBondContact O-OG1 3.15Å; M55-T57 PolarHBondContact O-N 2.76Å; T57-S59 PolarHBondContact O-N 2.74Å
58L65.2Low68.4Low110 Ų110124.5 Ų124.558%0.57668%0.679SS**  trans-97.273.2-178.7-66.8177.7000110.8C53C53-L58 HydrophobicContact CB-CD1 3.64Å; C53-L58 HydrophobicContact CB-CD2 4.39Å; C53-L58 HydrophobicContact CB-CG 4Å
59S74.1Confident68.7Low71 Ų71128 Ų12850%0.49768%0.683SS.*  trans-91.4142.2166.9177.60000110.5T57 F61 G62 A63T57-S59 PolarHBondContact O-N 2.74Å; S59-F61 PolarHBondContact O-N 3.11Å; S59-F61 VanDerWaalsContact O-N 3.11Å; S59-F61 PolarHBondContact OG-N 2.89Å; S59-G62 PolarHBondContact O-N 3.15Å; S59-A63 PolarHBondContact O-N 2.99Å
60L71.3Confident68.9Low155 Ų155124.5 Ų124.581%0.81268%0.678SS**Hα-helixtrans-47.4-38.4170.5-88.1138.4000111.6A63 S64L60-A63 PolarHBondContact O-N 3.34Å; L60-S64 WeakPolarHBondContact O-CB 3.34Å; L60-S64 PolarHBondContact O-N 3.41Å; L60-S64 PolarHBondContact O-OG 2.99Å
61F71.9Confident69.1Low142 Ų142124.7 Ų124.762%0.62369%0.685SS**Hα-helixtrans-63.9-44.2178.4-174-97.1000112.8S59 A63 S64 Y65S59-F61 PolarHBondContact O-N 3.11Å; S59-F61 VanDerWaalsContact O-N 3.11Å; S59-F61 PolarHBondContact OG-N 2.89Å; F61-A63 VanDerWaalsContact C-N 3.29Å; F61-A63 PolarHBondContact O-N 2.85Å; F61-S64 PolarHBondContact O-N 3.42Å; F61-Y65 HydrophobicContact CD1-CD2 4.47Å; F61-Y65 AromaticContact CD2-CD2 3.37Å; F61-Y65 HydrophobicContact CD2-CD2 3.37Å; F61-Y65 AromaticContact CD2-CE2 3.5Å; F61-Y65 HydrophobicContact CD2-CE2 3.5Å; F61-Y65 HydrophobicContact CD2-CG 4.45Å; F61-Y65 HydrophobicContact CE1-CD2 4.45Å; F61-Y65 AromaticContact CE2-CD2 3.34Å; F61-Y65 HydrophobicContact CE2-CD2 3.34Å; F61-Y65 AromaticContact CE2-CE2 3.48Å; F61-Y65 HydrophobicContact CE2-CE2 3.48Å; F61-Y65 VanDerWaalsContact CE2-CE2 3.48Å; F61-Y65 HydrophobicContact CE2-CG 4.09Å; F61-Y65 AromaticContact CG-CD2 3.97Å; F61-Y65 HydrophobicContact CG-CD2 3.97Å; F61-Y65 HydrophobicContact CG-CE2 4.47Å; F61-Y65 AromaticContact CZ-CD2 3.92Å; F61-Y65 HydrophobicContact CZ-CD2 3.92Å; F61-Y65 HydrophobicContact CZ-CE2 4.43Å; F61-Y65 HydrophobicContact CZ-CG 4.29Å; F61-Y65 WeakPolarHBondContact O-CD2 3.36Å; F61-Y65 PolarHBondContact O-N 2.84Å
62G71.8Confident68.9Low49 Ų49121.5 Ų121.551%0.50569%0.685SS.*Hα-helixtrans-68.7-28.6179.500000113.3S59S59-G62 PolarHBondContact O-N 3.15Å
63A70.8Confident68.8Low75 Ų75123.2 Ų123.262%0.6268%0.681SS**Hα-helixtrans-77.4-35.417500000112.6S59 L60 F61S59-A63 PolarHBondContact O-N 2.99Å; L60-A63 PolarHBondContact O-N 3.34Å; F61-A63 VanDerWaalsContact C-N 3.29Å; F61-A63 PolarHBondContact O-N 2.85Å
64S76.5Confident68.6Low87 Ų87128.1 Ų128.161%0.60869%0.691SS**Hα-helixtrans-83.1-31.6-176.9-59.90000113.8L60 F61L60-S64 WeakPolarHBondContact O-CB 3.34Å; L60-S64 PolarHBondContact O-N 3.41Å; L60-S64 PolarHBondContact O-OG 2.99Å; F61-S64 PolarHBondContact O-N 3.42Å
65Y75.5Confident68.2Low162 Ų162127.1 Ų127.164%0.63570%0.698SS**  trans-108.874.7-175.4-64.8-80.5000111.3F61F61-Y65 HydrophobicContact CD1-CD2 4.47Å; F61-Y65 AromaticContact CD2-CD2 3.37Å; F61-Y65 HydrophobicContact CD2-CD2 3.37Å; F61-Y65 AromaticContact CD2-CE2 3.5Å; F61-Y65 HydrophobicContact CD2-CE2 3.5Å; F61-Y65 HydrophobicContact CD2-CG 4.45Å; F61-Y65 HydrophobicContact CE1-CD2 4.45Å; F61-Y65 AromaticContact CE2-CD2 3.34Å; F61-Y65 HydrophobicContact CE2-CD2 3.34Å; F61-Y65 AromaticContact CE2-CE2 3.48Å; F61-Y65 HydrophobicContact CE2-CE2 3.48Å; F61-Y65 VanDerWaalsContact CE2-CE2 3.48Å; F61-Y65 HydrophobicContact CE2-CG 4.09Å; F61-Y65 AromaticContact CG-CD2 3.97Å; F61-Y65 HydrophobicContact CG-CD2 3.97Å; F61-Y65 HydrophobicContact CG-CE2 4.47Å; F61-Y65 AromaticContact CZ-CD2 3.92Å; F61-Y65 HydrophobicContact CZ-CD2 3.92Å; F61-Y65 HydrophobicContact CZ-CE2 4.43Å; F61-Y65 HydrophobicContact CZ-CG 4.29Å; F61-Y65 WeakPolarHBondContact O-CD2 3.36Å; F61-Y65 PolarHBondContact O-N 2.84Å
66I76.8Confident67.9Low126 Ų126123.3 Ų123.365%0.64668%0.677SS**  trans-79.7129.2169-57.1172.8000107.5L68I66-L68 PolarHBondContact O-N 2.99Å; I66-L68 VanDerWaalsContact O-N 3.13Å
67P78.4Confident67.4Low112 Ų112117.6 Ų117.673%0.72767%0.666SS**  trans-57.5124173.823.9-32.4000108.7K69P67-K69 PolarHBondContact O-N 3.42Å
68L73.3Confident67.2Low176 Ų176116.8 Ų116.892%0.92168%0.678SS**  trans-61.398.4178.5-70168.4000108.5I66 G70I66-L68 PolarHBondContact O-N 2.99Å; I66-L68 VanDerWaalsContact O-N 3.13Å; L68-G70 PolarHBondContact O-N 3.39Å; L68-G70 VanDerWaalsContact O-N 3.11Å
69K71.6Confident67.1Low206 Ų206112.3 Ų112.390%0.89666%0.657SS**  trans-67.7108.3163.4-130.9175.7-177.2-1790104.7P67P67-K69 PolarHBondContact O-N 3.42Å
70G68.6Low67.3Low52 Ų52111.2 Ų111.254%0.53666%0.657SS.*  trans-51.6155.8175.900000110.1L68 D72L68-G70 PolarHBondContact O-N 3.39Å; L68-G70 VanDerWaalsContact O-N 3.11Å; G70-D72 PolarHBondContact O-N 2.91Å
71P69.2Low67.9Low104 Ų104109.5 Ų109.568%0.67565%0.653SS**  trans-49.3119.8175.1-20.629.2000108.7V73P71-V73 HydrophobicContact CB-CB 4.2Å; P71-V73 HydrophobicContact CB-CG2 4.37Å; P71-V73 PolarHBondContact O-N 3.43Å
72D59.4Low68.5Low170 Ų170113.3 Ų113.391%0.90966%0.663SS**SBendtrans-66.70.1174.4-161.332.8000111.5G70 R74G70-D72 PolarHBondContact O-N 2.91Å; D72-R74 PolarHBondContact O-N 3.23Å
73V59.6Low69.2Low110 Ų110116.5 Ų116.567%0.66766%0.663SS**SBendtrans-64.3101.3161-173.10000107.3P71 V75P71-V73 HydrophobicContact CB-CB 4.2Å; P71-V73 HydrophobicContact CB-CG2 4.37Å; P71-V73 PolarHBondContact O-N 3.43Å; V73-V75 WeakPolarHBondContact O-CG2 3.46Å; V73-V75 PolarHBondContact O-N 3.05Å
74R58.5Low69.9Low159 Ų159114 Ų11460%0.664%0.638SS**  trans-37.2103.4166.6-158.4-169.8-60.5-144.21.2107.9D72 K76 G77 E84D72-R74 PolarHBondContact O-N 3.23Å; R74-K76 HydrophobicContact CG-CB 4.22Å; R74-K76 PolarHBondContact O-N 3.36Å; R74-K76 VanDerWaalsContact O-N 3.1Å; R74-G77 VanDerWaalsContact O-CA 3.27Å; R74-G77 WeakPolarHBondContact O-CA 3.49Å; R74-G77 PolarHBondContact O-N 3.18Å; R74-E84 IonicContact NH1-OE2 2.74Å; R74-E84 PolarHBondContact NH1-OE2 2.89Å
75V57Low70.5Confident136 Ų136115.8 Ų115.882%0.82464%0.64SS**G310 helixtrans-67-14.1-178.4-175.80000110.6V73 G77V73-V75 WeakPolarHBondContact O-CG2 3.46Å; V73-V75 PolarHBondContact O-N 3.05Å; V75-G77 PolarHBondContact O-N 3.14Å
76K55.3Low71.3Confident104 Ų104112.7 Ų112.745%0.45264%0.635SS.*G310 helixtrans-73.110.9160.8-68-164.3170.8-152.90114.3R74 G78 A79 E87R74-K76 HydrophobicContact CG-CB 4.22Å; R74-K76 PolarHBondContact O-N 3.36Å; R74-K76 VanDerWaalsContact O-N 3.1Å; K76-G78 PolarHBondContact O-N 2.97Å; K76-A79 PolarHBondContact O-N 3.36Å; K76-A79 VanDerWaalsContact O-O 3.1Å; K76-E87 IonicContact NZ-OE2 3.81Å; K76-E87 PolarHBondContact NZ-OE2 2.76Å
77G50.7Low72Confident61 Ų61109.7 Ų109.763%0.62962%0.618SS**G310 helixtrans-70.1-10.3-177.100000114.7R74 V75 A79R74-G77 VanDerWaalsContact O-CA 3.27Å; R74-G77 WeakPolarHBondContact O-CA 3.49Å; R74-G77 PolarHBondContact O-N 3.18Å; V75-G77 PolarHBondContact O-N 3.14Å; G77-A79 VanDerWaalsContact C-N 3.32Å
78G56.3Low72.6Confident85 Ų85111.9 Ų111.988%0.87661%0.612SS**G310 helixtrans-80.6-13.6166.900000113.6K76K76-G78 PolarHBondContact O-N 2.97Å
79A62.1Low73.7Confident16 Ų16108.4 Ų108.413%0.13259%0.59CS.*SBendtrans-108.6103.4179.500000108.5K76 G77 K83K76-A79 PolarHBondContact O-N 3.36Å; K76-A79 VanDerWaalsContact O-O 3.1Å; G77-A79 VanDerWaalsContact C-N 3.32Å; A79-K83 HydrophobicContact CB-CB 4.03Å; A79-K83 HydrophobicContact CB-CD 3.52Å; A79-K83 HydrophobicContact CB-CG 3.83Å
80G79.3Confident74.8Confident49 Ų49102.5 Ų102.551%0.50557%0.568SS.*  trans-54.3162.6178.200000113R82 K83 E84G80-R82 PolarHBondContact O-N 3.39Å; G80-K83 WeakPolarHBondContact O-CB 3.36Å; G80-K83 PolarHBondContact O-N 3.13Å; G80-E84 PolarHBondContact O-N 3.39Å
81V83.4Confident76.1Confident119 Ų119103.3 Ų103.372%0.72157%0.566SS**Hα-helixtrans-46.5-38.1-176.71790000112.8E84 L85V81-E84 PolarHBondContact O-N 2.93Å; V81-L85 WeakPolarHBondContact O-CB 3.3Å; V81-L85 PolarHBondContact O-N 3.22Å
82R85.4Confident77.4Confident221 Ų221103.7 Ų103.783%0.83456%0.558SS**Hα-helixtrans-60-45176-177.7-178.7174.897.10.5113.1G80 L85 L86G80-R82 PolarHBondContact O-N 3.39Å; R82-L85 PolarHBondContact O-N 3.24Å; R82-L86 WeakPolarHBondContact O-CB 3.32Å; R82-L86 PolarHBondContact O-N 3.26Å
83K85.4Confident79.2Confident117 Ų11799.2 Ų99.251%0.50953%0.533SS..Hα-helixtrans-69-39.7-179.7178.6170.7166.2-174.50110.7A79 G80 L86 E87A79-K83 HydrophobicContact CB-CB 4.03Å; A79-K83 HydrophobicContact CB-CD 3.52Å; A79-K83 HydrophobicContact CB-CG 3.83Å; G80-K83 WeakPolarHBondContact O-CB 3.36Å; G80-K83 PolarHBondContact O-N 3.13Å; K83-L86 PolarHBondContact O-N 3Å; K83-E87 WeakPolarHBondContact CE-OE1 3.49Å; K83-E87 WeakPolarHBondContact O-CB 3.24Å; K83-E87 WeakPolarHBondContact O-CG 3.46Å; K83-E87 PolarHBondContact O-N 3.15Å
84E85.6Confident81Confident22 Ų2299.2 Ų99.210%0.10353%0.527CS..Hα-helixtrans-62.2-44.5174.9-173.3178.5176.100111.9R74 G80 V81 L86 E87 R88R74-E84 IonicContact NH1-OE2 2.74Å; R74-E84 PolarHBondContact NH1-OE2 2.89Å; G80-E84 PolarHBondContact O-N 3.39Å; V81-E84 PolarHBondContact O-N 2.93Å; E84-L86 VanDerWaalsContact C-N 3.34Å; E84-L86 PolarHBondContact O-N 2.87Å; E84-E87 PolarHBondContact O-N 3.38Å; E84-R88 WeakPolarHBondContact O-CG 3.28Å; E84-R88 PolarHBondContact O-N 3.09Å; E84-R88 IonicContact OE1-CZ 3.43Å; E84-R88 IonicContact OE1-NE 2.93Å; E84-R88 PolarHBondContact OE1-NE 3.3Å; E84-R88 IonicContact OE1-NH2 3.48Å; E84-R88 PolarHBondContact OE1-NH2 2.96Å
85L89.4Confident82.7Confident124 Ų124100.1 Ų100.165%0.64953%0.53SS*.Hα-helixtrans-63.2-42177.4-167.274.4000111.4V81 R82 R88 H89V81-L85 WeakPolarHBondContact O-CB 3.3Å; V81-L85 PolarHBondContact O-N 3.22Å; R82-L85 PolarHBondContact O-N 3.24Å; L85-R88 PolarHBondContact O-N 3.27Å; L85-H89 WeakPolarHBondContact O-CB 3.2Å; L85-H89 PolarHBondContact O-N 3.19Å
86L92.4Very high84.4Confident98 Ų9898.6 Ų98.651%0.51351%0.514SS..Hα-helixtrans-63.7-45.8177.1-175.266000111.7R82 K83 E84 R88 H89 L90R82-L86 WeakPolarHBondContact O-CB 3.32Å; R82-L86 PolarHBondContact O-N 3.26Å; K83-L86 PolarHBondContact O-N 3Å; E84-L86 VanDerWaalsContact C-N 3.34Å; E84-L86 PolarHBondContact O-N 2.87Å; L86-R88 VanDerWaalsContact C-N 3.32Å; L86-R88 PolarHBondContact O-N 3.47Å; L86-H89 PolarHBondContact O-N 3.06Å; L86-L90 HydrophobicContact CD1-CD1 4.41Å; L86-L90 HydrophobicContact CD1-CG 4.41Å; L86-L90 HydrophobicContact CG-CD1 4.04Å; L86-L90 HydrophobicContact CG-CG 4.44Å; L86-L90 WeakPolarHBondContact O-CB 3.36Å; L86-L90 VanDerWaalsContact O-CG 3.3Å; L86-L90 WeakPolarHBondContact O-CG 3.44Å; L86-L90 PolarHBondContact O-N 3.01Å
87E91Very high86.3Confident62 Ų6299.8 Ų99.829%0.2952%0.519SS..Hα-helixtrans-58.2-43.8176.1-77.5174-167.100111.7K76 K83 E84 S91K76-E87 IonicContact NZ-OE2 3.81Å; K76-E87 PolarHBondContact NZ-OE2 2.76Å; K83-E87 WeakPolarHBondContact CE-OE1 3.49Å; K83-E87 WeakPolarHBondContact O-CB 3.24Å; K83-E87 WeakPolarHBondContact O-CG 3.46Å; K83-E87 PolarHBondContact O-N 3.15Å; E84-E87 PolarHBondContact O-N 3.38Å; E87-S91 WeakPolarHBondContact O-CB 3.24Å; E87-S91 PolarHBondContact O-N 3.09Å; E87-S91 PolarHBondContact O-OG 3.45Å
88R91Very high88.3Confident159 Ų159101 Ų10160%0.651%0.511SS*.Hα-helixtrans-62.9-45.8177-72.2177.1-175.6-155.82.2111.4E84 L85 L86 S91 Q92E84-R88 WeakPolarHBondContact O-CG 3.28Å; E84-R88 PolarHBondContact O-N 3.09Å; E84-R88 IonicContact OE1-CZ 3.43Å; E84-R88 IonicContact OE1-NE 2.93Å; E84-R88 PolarHBondContact OE1-NE 3.3Å; E84-R88 IonicContact OE1-NH2 3.48Å; E84-R88 PolarHBondContact OE1-NH2 2.96Å; L85-R88 PolarHBondContact O-N 3.27Å; L86-R88 VanDerWaalsContact C-N 3.32Å; L86-R88 PolarHBondContact O-N 3.47Å; R88-S91 PolarHBondContact O-N 3.36Å; R88-Q92 PolarHBondContact O-N 2.94Å
89H95.6Very high89.8Confident102 Ų102100.9 Ų100.947%0.47249%0.49SS..Hα-helixtrans-62.9-46.9179.3-17858.9000112L85 L86 S91 Q92 M93L85-H89 WeakPolarHBondContact O-CB 3.2Å; L85-H89 PolarHBondContact O-N 3.19Å; L86-H89 PolarHBondContact O-N 3.06Å; H89-S91 VanDerWaalsContact C-N 3.32Å; H89-S91 PolarHBondContact O-N 2.97Å; H89-Q92 PolarHBondContact O-N 3.34Å; H89-M93 PolarHBondContact NE2-SD 3.06Å; H89-M93 VanDerWaalsContact NE2-SD 3.43Å; H89-M93 WeakPolarHBondContact O-CG 3.48Å; H89-M93 PolarHBondContact O-N 3Å
90L96.3Very high91Very high83 Ų83103.4 Ų103.444%0.43551%0.51SS..Hα-helixtrans-61-41.7176.4-69.6172.8000111.7L86 Q92 M93 M94L86-L90 HydrophobicContact CD1-CD1 4.41Å; L86-L90 HydrophobicContact CD1-CG 4.41Å; L86-L90 HydrophobicContact CG-CD1 4.04Å; L86-L90 HydrophobicContact CG-CG 4.44Å; L86-L90 WeakPolarHBondContact O-CB 3.36Å; L86-L90 VanDerWaalsContact O-CG 3.3Å; L86-L90 WeakPolarHBondContact O-CG 3.44Å; L86-L90 PolarHBondContact O-N 3.01Å; L90-Q92 VanDerWaalsContact C-N 3.33Å; L90-Q92 PolarHBondContact O-N 3.2Å; L90-M93 PolarHBondContact O-N 3.38Å; L90-M94 HydrophobicContact CB-CE 4.36Å; L90-M94 WeakPolarHBondContact O-CE 3.44Å; L90-M94 WeakPolarHBondContact O-CG 3.46Å; L90-M94 PolarHBondContact O-N 3.21Å
91S95.6Very high91.3Very high69 Ų69108.7 Ų108.748%0.48352%0.522SS..Hα-helixtrans-61.4-42176.6-58.40000111.9E87 R88 H89 R95E87-S91 WeakPolarHBondContact O-CB 3.24Å; E87-S91 PolarHBondContact O-N 3.09Å; E87-S91 PolarHBondContact O-OG 3.45Å; R88-S91 PolarHBondContact O-N 3.36Å; H89-S91 VanDerWaalsContact C-N 3.32Å; H89-S91 PolarHBondContact O-N 2.97Å; S91-R95 WeakPolarHBondContact O-CB 3.38Å; S91-R95 PolarHBondContact O-N 3.35Å
92Q96.6Very high91.3Very high112 Ų112110.1 Ų110.152%0.52352%0.523SS..Hα-helixtrans-64.5-47.9176.2-178.5176.6-3.100111.5R88 H89 L90 M94 R95 E96R88-Q92 PolarHBondContact O-N 2.94Å; H89-Q92 PolarHBondContact O-N 3.34Å; L90-Q92 VanDerWaalsContact C-N 3.33Å; L90-Q92 PolarHBondContact O-N 3.2Å; Q92-M94 VanDerWaalsContact C-N 3.33Å; Q92-M94 PolarHBondContact O-N 3.11Å; Q92-R95 WeakPolarHBondContact O-CB 3.48Å; Q92-R95 PolarHBondContact O-N 2.99Å; Q92-E96 VanDerWaalsContact CG-OE1 3.31Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.32Å; Q92-E96 PolarHBondContact NE2-OE1 3.37Å; Q92-E96 WeakPolarHBondContact O-CG 3.41Å; Q92-E96 PolarHBondContact O-N 2.89Å
93M97.1Very high90.8Very high76 Ų76106.2 Ų106.237%0.37451%0.512SS..Hα-helixtrans-58.8-43.5177.7-72.3-173.873.400112.3H89 L90 E96 K97H89-M93 PolarHBondContact NE2-SD 3.06Å; H89-M93 VanDerWaalsContact NE2-SD 3.43Å; H89-M93 WeakPolarHBondContact O-CG 3.48Å; H89-M93 PolarHBondContact O-N 3Å; L90-M93 PolarHBondContact O-N 3.38Å; M93-E96 PolarHBondContact O-N 3.32Å; M93-K97 WeakPolarHBondContact O-CG 3.4Å; M93-K97 PolarHBondContact O-N 3.41Å
94M96.6Very high89.9Confident109 Ų109105.4 Ų105.454%0.53752%0.518SS..Hα-helixtrans-63.4-43.2177-75.1-174.8-74.900111.3L90 Q92 E96 K97 I98L90-M94 HydrophobicContact CB-CE 4.36Å; L90-M94 WeakPolarHBondContact O-CE 3.44Å; L90-M94 WeakPolarHBondContact O-CG 3.46Å; L90-M94 PolarHBondContact O-N 3.21Å; Q92-M94 VanDerWaalsContact C-N 3.33Å; Q92-M94 PolarHBondContact O-N 3.11Å; M94-E96 VanDerWaalsContact C-N 3.35Å; M94-E96 PolarHBondContact O-N 2.88Å; M94-K97 PolarHBondContact O-N 3.16Å; M94-I98 VanDerWaalsContact O-CG1 3.27Å; M94-I98 WeakPolarHBondContact O-CG1 3.48Å; M94-I98 PolarHBondContact O-N 3.04Å
95R94.4Very high88.9Confident178 Ų178111.7 Ų111.767%0.67256%0.558SS**Hα-helixtrans-60-44.9176-178.6179.3178.8170.50.4111.7S91 Q92 I98 L99S91-R95 WeakPolarHBondContact O-CB 3.38Å; S91-R95 PolarHBondContact O-N 3.35Å; Q92-R95 WeakPolarHBondContact O-CB 3.48Å; Q92-R95 PolarHBondContact O-N 2.99Å; R95-I98 PolarHBondContact O-N 3.19Å; R95-L99 HydrophobicContact CG-CD1 3.94Å; R95-L99 HydrophobicContact CG-CG 4.39Å; R95-L99 WeakPolarHBondContact O-CB 3.31Å; R95-L99 VanDerWaalsContact O-CG 3.22Å; R95-L99 WeakPolarHBondContact O-CG 3.13Å; R95-L99 PolarHBondContact O-N 3.01Å
96E93.8Very high87.9Confident105 Ų105113.3 Ų113.349%0.49156%0.562SS.*Hα-helixtrans-63.5-42.3178.9-73.4170.2-171.100111.8Q92 M93 M94 L99 A100Q92-E96 VanDerWaalsContact CG-OE1 3.31Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.32Å; Q92-E96 PolarHBondContact NE2-OE1 3.37Å; Q92-E96 WeakPolarHBondContact O-CG 3.41Å; Q92-E96 PolarHBondContact O-N 2.89Å; M93-E96 PolarHBondContact O-N 3.32Å; M94-E96 VanDerWaalsContact C-N 3.35Å; M94-E96 PolarHBondContact O-N 2.88Å; E96-L99 PolarHBondContact O-N 3.02Å; E96-A100 WeakPolarHBondContact O-CB 3.44Å; E96-A100 PolarHBondContact O-N 3.01Å
97K93.6Very high87Confident128 Ų128113.9 Ų113.956%0.55757%0.572SS**Hα-helixtrans-62-48.5174.6-74.5-177.7178.3-173.80112.4M93 M94 L99 A100 E101M93-K97 WeakPolarHBondContact O-CG 3.4Å; M93-K97 PolarHBondContact O-N 3.41Å; M94-K97 PolarHBondContact O-N 3.16Å; K97-L99 VanDerWaalsContact C-N 3.3Å; K97-L99 PolarHBondContact O-N 3.34Å; K97-A100 PolarHBondContact O-N 3.17Å; K97-A100 VanDerWaalsContact O-N 3.13Å; K97-E101 WeakPolarHBondContact O-CG 3.5Å; K97-E101 PolarHBondContact O-N 3.46Å
98I92.6Very high86.1Confident87 Ų87119.2 Ų119.245%0.44660%0.596SS.*Hα-helixtrans-61-42.4177.7-67.7165.4000110.4M94 R95 A100 E101 M102M94-I98 VanDerWaalsContact O-CG1 3.27Å; M94-I98 WeakPolarHBondContact O-CG1 3.48Å; M94-I98 PolarHBondContact O-N 3.04Å; R95-I98 PolarHBondContact O-N 3.19Å; I98-A100 VanDerWaalsContact C-N 3.32Å; I98-A100 PolarHBondContact O-N 3.08Å; I98-E101 PolarHBondContact O-N 3.45Å; I98-M102 HydrophobicContact CG2-CE 4.42Å; I98-M102 HydrophobicContact CG2-CG 4.22Å; I98-M102 HydrophobicContact CG2-SD 4.21Å; I98-M102 VanDerWaalsContact O-CB 3.25Å; I98-M102 WeakPolarHBondContact O-CB 3.3Å; I98-M102 WeakPolarHBondContact O-CG 3.45Å; I98-M102 PolarHBondContact O-N 3.14Å
99L88.6Confident85.3Confident83 Ų83117.3 Ų117.344%0.43561%0.605SS.*Hα-helixtrans-65.6-35.3176.6-73.8173.1000112.3R95 E96 K97 K103R95-L99 HydrophobicContact CG-CD1 3.94Å; R95-L99 HydrophobicContact CG-CG 4.39Å; R95-L99 WeakPolarHBondContact O-CB 3.31Å; R95-L99 VanDerWaalsContact O-CG 3.22Å; R95-L99 WeakPolarHBondContact O-CG 3.13Å; R95-L99 PolarHBondContact O-N 3.01Å; E96-L99 PolarHBondContact O-N 3.02Å; K97-L99 VanDerWaalsContact C-N 3.3Å; K97-L99 PolarHBondContact O-N 3.34Å; L99-K103 WeakPolarHBondContact O-CB 3.4Å; L99-K103 WeakPolarHBondContact O-CG 3.24Å; L99-K103 PolarHBondContact O-N 3.01Å
100A87.1Confident84.7Confident69 Ų69121.8 Ų121.857%0.5762%0.623SS**Hα-helixtrans-70.5-36.8175.700000112.2E96 K97 I98E96-A100 WeakPolarHBondContact O-CB 3.44Å; E96-A100 PolarHBondContact O-N 3.01Å; K97-A100 PolarHBondContact O-N 3.17Å; K97-A100 VanDerWaalsContact O-N 3.13Å; I98-A100 VanDerWaalsContact C-N 3.32Å; I98-A100 PolarHBondContact O-N 3.08Å
101E86.6Confident84Confident159 Ų159121.7 Ų121.774%0.74363%0.627SS**Hα-helixtrans-72.6-37.1174.7-72171.8-165.700112.4K97 I98K97-E101 WeakPolarHBondContact O-CG 3.5Å; K97-E101 PolarHBondContact O-N 3.46Å; I98-E101 PolarHBondContact O-N 3.45Å
102M81.9Confident83.5Confident150 Ų150123.7 Ų123.774%0.73963%0.633SS**Hα-helixtrans-78.7-25.1178.9-78.7-161.6166.800113.6I98 P104I98-M102 HydrophobicContact CG2-CE 4.42Å; I98-M102 HydrophobicContact CG2-CG 4.22Å; I98-M102 HydrophobicContact CG2-SD 4.21Å; I98-M102 VanDerWaalsContact O-CB 3.25Å; I98-M102 WeakPolarHBondContact O-CB 3.3Å; I98-M102 WeakPolarHBondContact O-CG 3.45Å; I98-M102 PolarHBondContact O-N 3.14Å; M102-P104 WeakPolarHBondContact O-CD 3.41Å
103K76.5Confident83.1Confident139 Ų139128.1 Ų128.160%0.60465%0.646SS**SBendtrans-65.2115.1169.9-82.6174.6-176.6-170.20107.3L99 V105L99-K103 WeakPolarHBondContact O-CB 3.4Å; L99-K103 WeakPolarHBondContact O-CG 3.24Å; L99-K103 PolarHBondContact O-N 3.01Å; K103-V105 PolarHBondContact O-N 3.21Å
104P66.6Low82.6Confident100 Ų100132.2 Ų132.265%0.64966%0.657SS**  trans-54.8133.2172.1-18.531.2000108.2M102 E106M102-P104 WeakPolarHBondContact O-CD 3.41Å; P104-E106 HydrophobicContact CB-CB 4.3Å; P104-E106 PolarHBondContact O-N 3.23Å
105V64.2Low82.1Confident153 Ų153129.9 Ų129.993%0.92765%0.652SS**SBendtrans-61-11.1172.7172.20000111.6K103K103-V105 PolarHBondContact O-N 3.21Å
106E67.6Low81.8Confident158 Ų158126.7 Ų126.774%0.73865%0.652SS**SBendtrans-70.2128.4176.5-150.6163.2-154.300110P104 E108P104-E106 HydrophobicContact CB-CB 4.3Å; P104-E106 PolarHBondContact O-N 3.23Å; E106-E108 PolarHBondContact O-N 3.48Å; E106-E108 VanDerWaalsContact O-N 3.15Å
107P73.8Confident81.3Confident111 Ų111127.1 Ų127.172%0.72165%0.654SS**  trans-55.6126.7177.124-32.9000108.3
108E71.6Confident80.8Confident173 Ų173125.9 Ų125.981%0.80865%0.65SS**  trans-46121.2174.8-70.6-177.4-177.500107.8E106 K110E106-E108 PolarHBondContact O-N 3.48Å; E106-E108 VanDerWaalsContact O-N 3.15Å; E108-K110 PolarHBondContact O-N 3.12Å
109P75.5Confident80.3Confident119 Ų119124.8 Ų124.877%0.77365%0.649SS**PPolyproline II helixtrans-57.7119.7-177.421.9-31.5000106.8P111P109-P111 WeakPolarHBondContact O-CD 3.18Å
110K81.6Confident80Confident197 Ų197127.6 Ų127.686%0.85766%0.66SS**PPolyproline II helixtrans-53.7120.7-178.4-70.9179.5-178.9175.40107.2E108 D112E108-K110 PolarHBondContact O-N 3.12Å; K110-D112 PolarHBondContact O-N 3.29Å
111P83.2Confident79.6Confident81 Ų81131.8 Ų131.853%0.52667%0.666SS.*PPolyproline II helixtrans-60128.7-179.422.4-32000108.5P109 Y113P109-P111 WeakPolarHBondContact O-CD 3.18Å; P111-Y113 HydrophobicContact CG-CE1 4.35Å; P111-Y113 HydrophobicContact CG-CE2 3.9Å; P111-Y113 WeakPolarHBondContact CG-OH 3.43Å; P111-Y113 VanDerWaalsContact O-CD2 3.24Å; P111-Y113 WeakPolarHBondContact O-CD2 3.43Å; P111-Y113 WeakPolarHBondContact O-CE2 3.27Å; P111-Y113 PolarHBondContact O-N 2.81Å
112D85.2Confident79.1Confident111 Ų111127.3 Ų127.359%0.59465%0.651SS**  trans-74.9113.5173.5-167.1-0.3000108.2K110 R114K110-D112 PolarHBondContact O-N 3.29Å; D112-R114 PolarHBondContact O-N 3.13Å; D112-R114 WeakPolarHBondContact OD1-CB 3.22Å; D112-R114 VanDerWaalsContact OD1-CD 3.31Å; D112-R114 WeakPolarHBondContact OD1-CD 3.38Å; D112-R114 WeakPolarHBondContact OD1-CG 3.19Å; D112-R114 PolarHBondContact OD1-N 3.22Å; D112-R114 VanDerWaalsContact OD1-N 3.12Å; D112-R114 IonicContact OD1-NE 3.8Å
113Y87Confident78.7Confident204 Ų204123.1 Ų123.180%0.864%0.64SS**  trans-84.73.4179.5-64.2-78.4000112.7P111P111-Y113 HydrophobicContact CG-CE1 4.35Å; P111-Y113 HydrophobicContact CG-CE2 3.9Å; P111-Y113 WeakPolarHBondContact CG-OH 3.43Å; P111-Y113 VanDerWaalsContact O-CD2 3.24Å; P111-Y113 WeakPolarHBondContact O-CD2 3.43Å; P111-Y113 WeakPolarHBondContact O-CE2 3.27Å; P111-Y113 PolarHBondContact O-N 2.81Å
114R86.8Confident78.9Confident162 Ų162122.9 Ų122.961%0.61165%0.653SS**  trans-72.4136.3179.8-67.1170.1-179.2-170.60.6110.8D112 C119D112-R114 PolarHBondContact O-N 3.13Å; D112-R114 WeakPolarHBondContact OD1-CB 3.22Å; D112-R114 VanDerWaalsContact OD1-CD 3.31Å; D112-R114 WeakPolarHBondContact OD1-CD 3.38Å; D112-R114 WeakPolarHBondContact OD1-CG 3.19Å; D112-R114 PolarHBondContact OD1-N 3.22Å; D112-R114 VanDerWaalsContact OD1-N 3.12Å; D112-R114 IonicContact OD1-NE 3.8Å; R114-C119 WeakPolarHBondContact CB-SG 3.35Å
115S86.9Confident79.6Confident61 Ų61121.7 Ų121.743%0.42766%0.659SS.*  trans-71.3153172.865.70000111H117 Q118 C119S115-H117 PolarHBondContact O-N 2.98Å; S115-Q118 PolarHBondContact O-N 2.98Å; S115-Q118 WeakPolarHBondContact OG-CB 3.36Å; S115-Q118 PolarHBondContact OG-N 2.68Å; S115-Q118 VanDerWaalsContact OG-N 3.16Å; S115-C119 PolarHBondContact O-N 2.79Å
116T86.3Confident80.3Confident111 Ų111122 Ų12268%0.68165%0.648SS**Hα-helixtrans-54.3-34.8171.241.20000111.9H120T116-H120 WeakPolarHBondContact O-CB 3.25Å; T116-H120 PolarHBondContact O-CD2 2.69Å; T116-H120 PolarHBondContact O-N 3.11Å; T116-H120 VanDerWaalsContact O-N 3.08Å
117H84.8Confident80.9Confident114 Ų114119.9 Ų119.953%0.52865%0.646SS.*Hα-helixtrans-62.4-48.2175-17462.8000112.1S115 C119 H120 F121 C122S115-H117 PolarHBondContact O-N 2.98Å; H117-C119 VanDerWaalsContact C-N 3.34Å; H117-C119 PolarHBondContact O-N 2.98Å; H117-H120 PolarHBondContact O-N 3.15Å; H117-F121 AromaticContact ND1-CD2 3.66Å; H117-F121 AromaticContact ND1-CG 3.76Å; H117-F121 WeakPolarHBondContact O-CA 3.33Å; H117-F121 WeakPolarHBondContact O-CB 3.32Å; H117-F121 PolarHBondContact O-N 3.01Å; H117-C122 PolarHBondContact O-N 3.1Å
118Q83.1Confident81.2Confident101 Ų101119.4 Ų119.447%0.47264%0.643SS.*Hα-helixtrans-64.4-38.6-180-171.1177.614.700112.3S115S115-Q118 PolarHBondContact O-N 2.98Å; S115-Q118 WeakPolarHBondContact OG-CB 3.36Å; S115-Q118 PolarHBondContact OG-N 2.68Å; S115-Q118 VanDerWaalsContact OG-N 3.16Å
119C81.3Confident81.7Confident64 Ų64116.2 Ų116.243%0.43264%0.639SS.*Hα-helixtrans-70.9-38.2179.5-69.50000113.4R114 S115 H117R114-C119 WeakPolarHBondContact CB-SG 3.35Å; S115-C119 PolarHBondContact O-N 2.79Å; H117-C119 VanDerWaalsContact C-N 3.34Å; H117-C119 PolarHBondContact O-N 2.98Å
120H82.1Confident82Confident142 Ų142121.9 Ų121.966%0.65765%0.645SS**Hα-helixtrans-104.1-28.8-169.6-65.4-64.8000114.6T116 H117T116-H120 WeakPolarHBondContact O-CB 3.25Å; T116-H120 PolarHBondContact O-CD2 2.69Å; T116-H120 PolarHBondContact O-N 3.11Å; T116-H120 VanDerWaalsContact O-N 3.08Å; H117-H120 PolarHBondContact O-N 3.15Å
121F78.1Confident82.1Confident157 Ų157118.2 Ų118.269%0.68964%0.642SS**THydrogen-bonded Turntrans-116.4-20.9-170.3-58.7-89.3000113.2H117H117-F121 AromaticContact ND1-CD2 3.66Å; H117-F121 AromaticContact ND1-CG 3.76Å; H117-F121 WeakPolarHBondContact O-CA 3.33Å; H117-F121 WeakPolarHBondContact O-CB 3.32Å; H117-F121 PolarHBondContact O-N 3.01Å
122C76.6Confident82.1Confident65 Ų65124 Ų12444%0.43966%0.658SS.*  trans-102.663.2175.7-58.20000110.8H117 P124H117-C122 PolarHBondContact O-N 3.1Å; C122-P124 VanDerWaalsContact O-CD 3.3Å; C122-P124 WeakPolarHBondContact O-CD 3.31Å
123A74.1Confident81.9Confident62 Ų62122.6 Ų122.651%0.51266%0.663SS.*  trans-64.3117.617300000109.6G125 F126A123-G125 PolarHBondContact O-N 2.89Å; A123-F126 HydrophobicContact CB-CB 4.46Å; A123-F126 PolarHBondContact O-N 3.4Å
124P80.4Confident81.6Confident134 Ų134118.9 Ų118.987%0.8767%0.666SS**THydrogen-bonded Turntrans-62.6125175.925.4-31.7000109C122C122-P124 VanDerWaalsContact O-CD 3.3Å; C122-P124 WeakPolarHBondContact O-CD 3.31Å
125G80.6Confident81.1Confident75 Ų75114.9 Ų114.977%0.77366%0.66SS**THydrogen-bonded Turntrans99.3-1.8-178.600000115.5A123 V127A123-G125 PolarHBondContact O-N 2.89Å; G125-V127 PolarHBondContact O-N 3.39Å; G125-V127 VanDerWaalsContact O-N 3.14Å
126F79.1Confident80.8Confident159 Ų159119.6 Ų119.670%0.69768%0.681SS**  trans-73.6104.9167.7-175.5-102.9000110.1A123 P128A123-F126 HydrophobicContact CB-CB 4.46Å; A123-F126 PolarHBondContact O-N 3.4Å; F126-P128 HydrophobicContact CE1-CB 3.9Å; F126-P128 HydrophobicContact CE1-CG 4.44Å; F126-P128 HydrophobicContact CZ-CB 4.44Å; F126-P128 WeakPolarHBondContact O-CD 3.46Å
127V81.4Confident80.5Confident115 Ų115119.6 Ų119.670%0.69767%0.672SS**  trans-99.5109.5169.7-178.10000107.1G125 S129G125-V127 PolarHBondContact O-N 3.39Å; G125-V127 VanDerWaalsContact O-N 3.14Å; V127-S129 PolarHBondContact O-N 3.44Å
128P79.3Confident80.3Confident100 Ų100117 Ų11765%0.64966%0.663SS**  trans-63.3103.1175.423.3-30.3000109.1F126F126-P128 HydrophobicContact CE1-CB 3.9Å; F126-P128 HydrophobicContact CE1-CG 4.44Å; F126-P128 HydrophobicContact CZ-CB 4.44Å; F126-P128 WeakPolarHBondContact O-CD 3.46Å
129S82.3Confident80.1Confident106 Ų106121 Ų12174%0.74168%0.675SS**PPolyproline II helixtrans-94.1125.617263.60000108.7V127V127-S129 PolarHBondContact O-N 3.44Å
130R82.8Confident80.1Confident238 Ų238127 Ų12790%0.89869%0.688SS**PPolyproline II helixtrans-76131.5168.8-65.2-173.2-171-156.12.4107.4K132R130-K132 PolarHBondContact O-N 3.13Å
131P83.7Confident80Confident120 Ų120126.6 Ų126.678%0.77969%0.691SS**PPolyproline II helixtrans-58.8141.817225.6-32.3000108.7A133P131-A133 PolarHBondContact O-N 2.98Å
132K82.3Confident80.2Confident202 Ų202123.3 Ų123.388%0.87868%0.678SS**PPolyproline II helixtrans-63.8130.3172.9-169175.7179.4-178.50107.8R130 S134R130-K132 PolarHBondContact O-N 3.13Å; K132-S134 PolarHBondContact O-N 2.87Å
133A81.9Confident80.2Confident83 Ų83126.8 Ų126.869%0.68669%0.687SS**PPolyproline II helixtrans-55.2131175.100000109.3P131 T135P131-A133 PolarHBondContact O-N 2.98Å; A133-T135 PolarHBondContact O-N 3.47Å
134S79.6Confident80.5Confident125 Ų125127.6 Ų127.687%0.87470%0.695SS**SBendtrans-69.1-22.1-179-174.40000112.5K132K132-S134 PolarHBondContact O-N 2.87Å
135T77.3Confident80.6Confident78 Ų78127.2 Ų127.248%0.47968%0.684SS.*SBendtrans-146.7139.5-171.2-32.30000108.8A133 H137A133-T135 PolarHBondContact O-N 3.47Å; T135-H137 VanDerWaalsContact C-N 3.3Å; T135-H137 VanDerWaalsContact CB-CD2 3.44Å; T135-H137 WeakPolarHBondContact CB-CD2 3.42Å; T135-H137 WeakPolarHBondContact CB-NE2 3.16Å; T135-H137 WeakPolarHBondContact CG2-NE2 3.41Å; T135-H137 PolarHBondContact O-N 3.05Å; T135-H137 VanDerWaalsContact O-N 3.14Å
136D80.1Confident80.9Confident161 Ų161126.7 Ų126.786%0.86167%0.665SS**  trans-8770.4-179.2-164.919.8000109.4
137H79.9Confident81.3Confident110 Ų110125.7 Ų125.751%0.50966%0.661SS.*  trans-89.3121.6178.5-69.9-59.5000110.4T135 E142T135-H137 VanDerWaalsContact C-N 3.3Å; T135-H137 VanDerWaalsContact CB-CD2 3.44Å; T135-H137 WeakPolarHBondContact CB-CD2 3.42Å; T135-H137 WeakPolarHBondContact CB-NE2 3.16Å; T135-H137 WeakPolarHBondContact CG2-NE2 3.41Å; T135-H137 PolarHBondContact O-N 3.05Å; T135-H137 VanDerWaalsContact O-N 3.14Å; H137-E142 WeakPolarHBondContact CA-OE1 3.27Å; H137-E142 IonicContact CE1-OE2 3.95Å; H137-E142 IonicContact CG-OE2 2.68Å; H137-E142 IonicContact ND1-OE1 3.39Å; H137-E142 IonicContact ND1-OE2 3Å; H137-E142 PolarHBondContact ND1-OE2 3.23Å
138D79.9Confident81.5Confident61 Ų61127 Ų12733%0.32665%0.654SS.*  trans-95.5105.7175.3-170.5-3.8000111.2R140 N141 E142D138-R140 PolarHBondContact O-N 3.35Å; D138-R140 PolarHBondContact OD1-N 2.8Å; D138-R140 VanDerWaalsContact OD1-N 3.15Å; D138-N141 HydrophobicContact CB-CB 4.45Å; D138-N141 PolarHBondContact O-N 3Å; D138-N141 VanDerWaalsContact O-N 3.07Å; D138-N141 PolarHBondContact OD2-ND2 3.27Å; D138-E142 PolarHBondContact N-OE1 2.93Å; D138-E142 VanDerWaalsContact N-OE1 3.11Å; D138-E142 WeakPolarHBondContact O-CB 3.39Å; D138-E142 PolarHBondContact O-N 3.43Å
139Y80.1Confident81.8Confident184 Ų184123.8 Ų123.872%0.72263%0.634SS**THydrogen-bonded Turntrans-58.6-17-178.676.2-87.6000114.4
140R80.6Confident82Confident190 Ų190124 Ų12472%0.71763%0.627SS**THydrogen-bonded Turntrans-84.6-29.9178.9-67.8-171.8171-170.5-3.1113.3D138D138-R140 PolarHBondContact O-N 3.35Å; D138-R140 PolarHBondContact OD1-N 2.8Å; D138-R140 VanDerWaalsContact OD1-N 3.15Å
141N81Confident82.3Confident133 Ų133114.7 Ų114.771%0.71159%0.594SS**THydrogen-bonded Turntrans-110.4-25.7-169.4-68.1-41.9000112.1D138D138-N141 HydrophobicContact CB-CB 4.45Å; D138-N141 PolarHBondContact O-N 3Å; D138-N141 VanDerWaalsContact O-N 3.07Å; D138-N141 PolarHBondContact OD2-ND2 3.27Å
142E81.2Confident82.4Confident89 Ų89111.2 Ų111.242%0.41657%0.567SS.*SBendtrans-91.9135.5179.9-66.3175.5-151.200111.3H137 D138H137-E142 WeakPolarHBondContact CA-OE1 3.27Å; H137-E142 IonicContact CE1-OE2 3.95Å; H137-E142 IonicContact CG-OE2 2.68Å; H137-E142 IonicContact ND1-OE1 3.39Å; H137-E142 IonicContact ND1-OE2 3Å; H137-E142 PolarHBondContact ND1-OE2 3.23Å; D138-E142 PolarHBondContact N-OE1 2.93Å; D138-E142 VanDerWaalsContact N-OE1 3.11Å; D138-E142 WeakPolarHBondContact O-CB 3.39Å; D138-E142 PolarHBondContact O-N 3.43Å
143E77.6Confident82.5Confident137 Ų137109.4 Ų109.464%0.6456%0.562SS**PPolyproline II helixtrans-69.4144.4169.7-64.5-168.1167.100110I145E143-I145 PolarHBondContact O-N 2.98Å
144A80.3Confident82.8Confident80 Ų80113.4 Ų113.466%0.66156%0.564SS**PPolyproline II helixtrans-61.9126.8178.100000110.4T146A144-T146 HydrophobicContact CB-CG2 4.34Å; A144-T146 PolarHBondContact O-N 3.26Å; A144-T146 VanDerWaalsContact O-N 3.08Å
145I80.9Confident83.1Confident126 Ų126109.1 Ų109.165%0.64653%0.531SS*.  trans-68.1109.9171.1-56.5174.2000107.3E143 D150E143-I145 PolarHBondContact O-N 2.98Å; I145-D150 WeakPolarHBondContact CG2-OD1 3.39Å
146T87Confident83.4Confident63 Ų63113.4 Ų113.439%0.38755%0.545SS..  trans-118.4163.5177.761.70000109.9A144 W148 S149 D150A144-T146 HydrophobicContact CB-CG2 4.34Å; A144-T146 PolarHBondContact O-N 3.26Å; A144-T146 VanDerWaalsContact O-N 3.08Å; T146-W148 PolarHBondContact O-N 2.93Å; T146-S149 PolarHBondContact N-OG 2.69Å; T146-S149 PolarHBondContact O-N 3.42Å; T146-S149 PolarHBondContact O-OG 2.95Å; T146-S149 PolarHBondContact OG1-N 3.39Å; T146-D150 PolarHBondContact O-N 3.41Å; T146-D150 VanDerWaalsContact O-N 3.14Å
147F88.2Confident83.7Confident139 Ų139117.8 Ų117.861%0.6155%0.55SS*.Hα-helixtrans-48.8-36.6172.5174.3-95000112.9N151F147-N151 WeakPolarHBondContact CE2-ND2 3.41Å; F147-N151 WeakPolarHBondContact O-CB 3.35Å; F147-N151 PolarHBondContact O-N 2.97Å; F147-N151 PolarHBondContact O-ND2 3.21Å
148W86.6Confident83.8Confident142 Ų142115.5 Ų115.554%0.53854%0.543SS..Hα-helixtrans-72-41-179.5-59.2102.2000112.6T146 D150 N151 F152 I155 F168T146-W148 PolarHBondContact O-N 2.93Å; W148-D150 VanDerWaalsContact C-N 3.3Å; W148-D150 PolarHBondContact O-N 3.49Å; W148-N151 PolarHBondContact O-N 3.04Å; W148-F152 PolarHBondContact O-N 3.47Å; W148-F152 VanDerWaalsContact O-N 3.15Å; W148-I155 HydrophobicContact CD2-CD1 4.45Å; W148-I155 HydrophobicContact CE3-CD1 3.46Å; W148-I155 VanDerWaalsContact CE3-CD1 3.46Å; W148-I155 HydrophobicContact CE3-CG1 4.27Å; W148-I155 HydrophobicContact CE3-CG2 4.44Å; W148-I155 HydrophobicContact CZ3-CD1 3.98Å; W148-I155 HydrophobicContact CZ3-CG1 4.31Å; W148-I155 HydrophobicContact CZ3-CG2 4.03Å; W148-F168 HydrophobicContact CB-CD2 4.46Å; W148-F168 HydrophobicContact CB-CE2 3.57Å; W148-F168 HydrophobicContact CB-CZ 3.74Å; W148-F168 HydrophobicContact CE3-CZ 4.49Å; W148-F168 WeakPolarHBondContact O-CE2 3.3Å; W148-F168 WeakPolarHBondContact O-CZ 3.47Å
149S84.3Confident84Confident33 Ų33115 Ų11523%0.23154%0.544CS..Hα-helixtrans-69-28.1177.662.50000112.5T146 F152T146-S149 PolarHBondContact N-OG 2.69Å; T146-S149 PolarHBondContact O-N 3.42Å; T146-S149 PolarHBondContact O-OG 2.95Å; T146-S149 PolarHBondContact OG1-N 3.39Å; S149-F152 VanDerWaalsContact O-CD1 3.24Å; S149-F152 WeakPolarHBondContact O-CD1 3.47Å
150D87.4Confident84Confident110 Ų110111.5 Ų111.559%0.58855%0.545SS*.Hα-helixtrans-79.9-31.7176.2-75.3-7.6000112.8I145 T146 W148I145-D150 WeakPolarHBondContact CG2-OD1 3.39Å; T146-D150 PolarHBondContact O-N 3.41Å; T146-D150 VanDerWaalsContact O-N 3.14Å; W148-D150 VanDerWaalsContact C-N 3.3Å; W148-D150 PolarHBondContact O-N 3.49Å
151N88.8Confident84.1Confident42 Ų42105 Ų10523%0.22552%0.523CS..Hα-helixtrans-106.711.3-171.2-67.7-79.8000114F147 W148 Q153 K154 I155F147-N151 WeakPolarHBondContact CE2-ND2 3.41Å; F147-N151 WeakPolarHBondContact O-CB 3.35Å; F147-N151 PolarHBondContact O-N 2.97Å; F147-N151 PolarHBondContact O-ND2 3.21Å; W148-N151 PolarHBondContact O-N 3.04Å; N151-Q153 PolarHBondContact O-N 3.26Å; N151-K154 PolarHBondContact O-N 2.97Å; N151-I155 HydrophobicContact CB-CD1 3.99Å; N151-I155 HydrophobicContact CB-CG1 4.18Å; N151-I155 WeakPolarHBondContact O-CD1 3.34Å; N151-I155 VanDerWaalsContact O-CG1 3.3Å; N151-I155 WeakPolarHBondContact O-CG1 3.5Å; N151-I155 PolarHBondContact O-N 3.34Å
152F85.8Confident84Confident48 Ų48106.2 Ų106.221%0.21152%0.522CS..THydrogen-bonded Turntrans-52.8-29.3-172.975.3-89.8000114.4W148 S149 I161 P167 F168W148-F152 PolarHBondContact O-N 3.47Å; W148-F152 VanDerWaalsContact O-N 3.15Å; S149-F152 VanDerWaalsContact O-CD1 3.24Å; S149-F152 WeakPolarHBondContact O-CD1 3.47Å; F152-I161 HydrophobicContact CB-CD1 3.69Å; F152-I161 HydrophobicContact CD2-CD1 3.47Å; F152-I161 VanDerWaalsContact CD2-CD1 3.47Å; F152-I161 HydrophobicContact CD2-CG2 4.44Å; F152-I161 HydrophobicContact CG-CD1 4.03Å; F152-I161 WeakPolarHBondContact O-CD1 3.48Å; F152-P167 HydrophobicContact CB-CB 3.88Å; F152-P167 HydrophobicContact CB-CG 4.32Å; F152-P167 HydrophobicContact CD2-CB 4.27Å; F152-P167 HydrophobicContact CG-CB 4.09Å; F152-F168 HydrophobicContact CB-CZ 4.19Å
153Q84.4Confident84Confident163 Ų163105.5 Ų105.576%0.76252%0.522SS*.THydrogen-bonded Turntrans-76.4-24.7177.5-61.8-177.4-3.400114.1N151N151-Q153 PolarHBondContact O-N 3.26Å
154K88.4Confident84Confident168 Ų168103.4 Ų103.473%0.7352%0.52SS*.THydrogen-bonded Turntrans-100.3-15.3-174.9-64.7176.6-176.7170.20113N151N151-K154 PolarHBondContact O-N 2.97Å
155I86Confident84Confident34 Ų34104.5 Ų104.517%0.17452%0.518CS..  trans-75.3131.4-176.7-67.1156.6000110.1W148 N151 V158 F168W148-I155 HydrophobicContact CD2-CD1 4.45Å; W148-I155 HydrophobicContact CE3-CD1 3.46Å; W148-I155 VanDerWaalsContact CE3-CD1 3.46Å; W148-I155 HydrophobicContact CE3-CG1 4.27Å; W148-I155 HydrophobicContact CE3-CG2 4.44Å; W148-I155 HydrophobicContact CZ3-CD1 3.98Å; W148-I155 HydrophobicContact CZ3-CG1 4.31Å; W148-I155 HydrophobicContact CZ3-CG2 4.03Å; N151-I155 HydrophobicContact CB-CD1 3.99Å; N151-I155 HydrophobicContact CB-CG1 4.18Å; N151-I155 WeakPolarHBondContact O-CD1 3.34Å; N151-I155 VanDerWaalsContact O-CG1 3.3Å; N151-I155 WeakPolarHBondContact O-CG1 3.5Å; N151-I155 PolarHBondContact O-N 3.34Å; I155-V158 HydrophobicContact CG2-CG1 3.76Å; I155-V158 HydrophobicContact CG2-CG2 4.14Å; I155-F168 HydrophobicContact CD1-CZ 4.11Å
156Q83.8Confident84Confident169 Ų16999.8 Ų99.879%0.7950%0.498SS*.  trans-98.2164.7176.2-62.2-179.30.600111.1V158Q156-V158 VanDerWaalsContact C-N 3.29Å; Q156-V158 PolarHBondContact O-N 2.94Å
157R85.2Confident83.7Confident253 Ų25397.4 Ų97.496%0.95548%0.484SS*.SBendtrans6523.5177.5-52.7177.9174.2-123.5-0.9115.4
158V83.4Confident83.5Confident61 Ų6195.2 Ų95.237%0.3747%0.474SS..SBendtrans-108.5158.5171.5-67.20000110.4I155 Q156 F168I155-V158 HydrophobicContact CG2-CG1 3.76Å; I155-V158 HydrophobicContact CG2-CG2 4.14Å; Q156-V158 VanDerWaalsContact C-N 3.29Å; Q156-V158 PolarHBondContact O-N 2.94Å; V158-F168 HydrophobicContact CG1-CE1 4.37Å
159S82.7Confident83.4Confident50 Ų5096.2 Ų96.235%0.3548%0.482SS..  trans-61.3143.617252.40000110.3I161S159-I161 PolarHBondContact O-N 3.36Å
160P81.5Confident83.4Confident112 Ų112104.6 Ų104.673%0.72752%0.515SS*.  trans-59134.6179.422.1-31.2000110.9K162P160-K162 PolarHBondContact O-N 2.91Å
161I82.1Confident83.2Confident53 Ų53102.4 Ų102.427%0.27251%0.508SS..  trans-82.5112.8-172.1-62.9172.9000108.4F152 S159 P167F152-I161 HydrophobicContact CB-CD1 3.69Å; F152-I161 HydrophobicContact CD2-CD1 3.47Å; F152-I161 VanDerWaalsContact CD2-CD1 3.47Å; F152-I161 HydrophobicContact CD2-CG2 4.44Å; F152-I161 HydrophobicContact CG-CD1 4.03Å; F152-I161 WeakPolarHBondContact O-CD1 3.48Å; S159-I161 PolarHBondContact O-N 3.36Å; I161-P167 HydrophobicContact CD1-CB 3.84Å; I161-P167 HydrophobicContact CG1-CB 4.32Å; I161-P167 WeakPolarHBondContact CG1-O 3.4Å; I161-P167 HydrophobicContact CG2-CB 3.99Å
162K77.9Confident83.1Confident159 Ų159103.6 Ų103.669%0.69152%0.519SS*.SBendtrans-86.6-31.8177.4-67.4-168.7175.8-164.60113.1P160P160-K162 PolarHBondContact O-N 2.91Å
163N81.5Confident82.9Confident74 Ų74104.2 Ų104.240%0.39652%0.524SS..  trans-126.5119.5-177.5-176.2-9000110T165 A166N163-T165 PolarHBondContact ND2-OG1 3.39Å; N163-T165 PolarHBondContact O-N 3.17Å; N163-T165 PolarHBondContact OD1-N 3.02Å; N163-T165 PolarHBondContact OD1-OG1 2.95Å; N163-A166 CarbonylContact O-C 3.35Å; N163-A166 PolarHBondContact O-N 3.46Å
164P78.7Confident82.8Confident93 Ų93105.8 Ų105.860%0.60453%0.529SS*.THydrogen-bonded Turntrans-67.7-22.5179.728-35.4000113.5A166P164-A166 VanDerWaalsContact C-N 3.31Å
165T80.2Confident82.8Confident103 Ų103102.3 Ų102.363%0.63253%0.526SS*.THydrogen-bonded Turntrans-76.7-18178.159.60000113.3N163N163-T165 PolarHBondContact ND2-OG1 3.39Å; N163-T165 PolarHBondContact O-N 3.17Å; N163-T165 PolarHBondContact OD1-N 3.02Å; N163-T165 PolarHBondContact OD1-OG1 2.95Å
166A80.1Confident82.9Confident27 Ų27102.7 Ų102.722%0.22353%0.53CS..SBendtrans-144.972.917900000109.6N163 P164 F168 K169N163-A166 CarbonylContact O-C 3.35Å; N163-A166 PolarHBondContact O-N 3.46Å; P164-A166 VanDerWaalsContact C-N 3.31Å; A166-F168 VanDerWaalsContact C-N 3.31Å; A166-F168 PolarHBondContact O-N 3.39Å; A166-K169 PolarHBondContact O-N 2.94Å
167P80.6Confident83.1Confident12 Ų12103.7 Ų103.78%0.07853%0.527CS..THydrogen-bonded Turntrans-64.1-32.7-166.620.7-30.5000113.6F152 I161F152-P167 HydrophobicContact CB-CB 3.88Å; F152-P167 HydrophobicContact CB-CG 4.32Å; F152-P167 HydrophobicContact CD2-CB 4.27Å; F152-P167 HydrophobicContact CG-CB 4.09Å; I161-P167 HydrophobicContact CD1-CB 3.84Å; I161-P167 HydrophobicContact CG1-CB 4.32Å; I161-P167 WeakPolarHBondContact CG1-O 3.4Å; I161-P167 HydrophobicContact CG2-CB 3.99Å
168F84.3Confident83Confident94 Ų9498.4 Ų98.441%0.41252%0.516SS..THydrogen-bonded Turntrans-10027.9-175.2-57.8-72.6000114.1W148 F152 I155 V158 A166 K170W148-F168 HydrophobicContact CB-CD2 4.46Å; W148-F168 HydrophobicContact CB-CE2 3.57Å; W148-F168 HydrophobicContact CB-CZ 3.74Å; W148-F168 HydrophobicContact CE3-CZ 4.49Å; W148-F168 WeakPolarHBondContact O-CE2 3.3Å; W148-F168 WeakPolarHBondContact O-CZ 3.47Å; F152-F168 HydrophobicContact CB-CZ 4.19Å; I155-F168 HydrophobicContact CD1-CZ 4.11Å; V158-F168 HydrophobicContact CG1-CE1 4.37Å; A166-F168 VanDerWaalsContact C-N 3.31Å; A166-F168 PolarHBondContact O-N 3.39Å; F168-K170 PolarHBondContact O-N 3.34Å
169K84.6Confident83.1Confident163 Ų163104.4 Ų104.471%0.70954%0.54SS*.  trans-64.8131174.5-167.2172.9-177.5177.70110.2A166 S171A166-K169 PolarHBondContact O-N 2.94Å; K169-S171 PolarHBondContact O-N 3.01Å
170K84.4Confident83.2Confident209 Ų209106.9 Ų106.991%0.90955%0.549SS*.  trans-57126179.8-68.1-178.7-179.2177.80110.5F168F168-K170 PolarHBondContact O-N 3.34Å
171S83.8Confident83.2Confident64 Ų64106.8 Ų106.845%0.44853%0.534SS..  trans-106.7123170.1178.80000109.2K169K169-S171 PolarHBondContact O-N 3.01Å
172S84.9Confident83Confident66 Ų66112.3 Ų112.346%0.46256%0.563SS.*  trans-108.98.5176.554.40000112.9F174 S175 T176S172-F174 VanDerWaalsContact C-N 3.25Å; S172-F174 PolarHBondContact O-N 2.87Å; S172-F174 VanDerWaalsContact O-N 3.16Å; S172-S175 PolarHBondContact O-N 2.96Å; S172-S175 PolarHBondContact O-OG 2.99Å; S172-T176 WeakPolarHBondContact O-CG2 3.44Å; S172-T176 PolarHBondContact O-N 3.42Å; S172-T176 PolarHBondContact O-OG1 3.23Å; S172-T176 VanDerWaalsContact O-OG1 3.1Å
173L82.6Confident82.4Confident61 Ų61110 Ų11032%0.31956%0.559SS.*THydrogen-bonded Turntrans-57.2-36.6-173.3-71.8170.1000114T176 R181 D183L173-T176 PolarHBondContact O-OG1 2.8Å; L173-R181 PolarHBondContact O-NE 2.9Å; L173-R181 PolarHBondContact O-NH2 3.43Å; L173-D183 VanDerWaalsContact CD2-OD2 3.24Å; L173-D183 WeakPolarHBondContact CD2-OD2 3.48Å
174F83.1Confident81.4Confident196 Ų196115 Ų11586%0.8658%0.58SS**THydrogen-bonded Turntrans-74.4-34.7178.4-179.3-101.7000112.7S172S172-F174 VanDerWaalsContact C-N 3.25Å; S172-F174 PolarHBondContact O-N 2.87Å; S172-F174 VanDerWaalsContact O-N 3.16Å
175S87.9Confident80.1Confident95 Ų95120 Ų12066%0.66460%0.595SS**THydrogen-bonded Turntrans-96.4-13.2-173.7550000114.4S172S172-S175 PolarHBondContact O-N 2.96Å; S172-S175 PolarHBondContact O-OG 2.99Å
176T88.3Confident78.6Confident42 Ų42124.2 Ų124.226%0.25861%0.607SS.*SBendtrans-64.9136.5171.542.20000110.2S172 L173S172-T176 WeakPolarHBondContact O-CG2 3.44Å; S172-T176 PolarHBondContact O-N 3.42Å; S172-T176 PolarHBondContact O-OG1 3.23Å; S172-T176 VanDerWaalsContact O-OG1 3.1Å; L173-T176 PolarHBondContact O-OG1 2.8Å
177R88Confident76.5Confident191 Ų191134.8 Ų134.872%0.72166%0.659SS**  trans-62.7148.2174.1-64.3178.5176179.1-0.6108.8Q179 D180R177-Q179 PolarHBondContact O-N 3.48Å; R177-D180 PolarHBondContact O-N 2.9Å
178I82.9Confident76.3Confident142 Ų142141 Ų14173%0.72869%0.688SS**G310 helixtrans-56.5-39-175-61.2168.9000111.4D180 R181I178-D180 VanDerWaalsContact C-N 3.25Å; I178-D180 PolarHBondContact O-N 3.34Å; I178-R181 PolarHBondContact O-N 3.01Å
179Q84.9Confident75.8Confident187 Ų187143.4 Ų143.487%0.87470%0.703SS**G310 helixtrans-67.2-21.8179.8-66.2176.9-18.600114.2R177R177-Q179 PolarHBondContact O-N 3.48Å
180D84Confident75.4Confident102 Ų102142.3 Ų142.355%0.54570%0.702SS.*G310 helixtrans-101.65.7-174.9-57.4-36.4000112.2R177 I178R177-D180 PolarHBondContact O-N 2.9Å; I178-D180 VanDerWaalsContact C-N 3.25Å; I178-D180 PolarHBondContact O-N 3.34Å
181R81.9Confident74.8Confident109 Ų109138.4 Ų138.441%0.41169%0.69SS.*  trans-77.3125.8178.2-74.8-175.3169151.2-1.1109.8L173 I178L173-R181 PolarHBondContact O-NE 2.9Å; L173-R181 PolarHBondContact O-NH2 3.43Å; I178-R181 PolarHBondContact O-N 3.01Å
182L77.9Confident74.3Confident169 Ų169143.1 Ų143.189%0.88571%0.705SS**  trans-93.1-8.5176.6-64.5171.2000112.9E184L182-E184 PolarHBondContact O-N 3.41Å
183D66.6Low73.6Confident112 Ų112148.2 Ų148.260%0.59972%0.722SS**  trans-92.873.6-179.7-64-6.4000109L173L173-D183 VanDerWaalsContact CD2-OD2 3.24Å; L173-D183 WeakPolarHBondContact CD2-OD2 3.48Å
184E59.3Low72.9Confident178 Ų178154.4 Ų154.483%0.83275%0.75SS**  trans-111.698.7161.6-76.4-107.5159.700107.3L182L182-E184 PolarHBondContact O-N 3.41Å
185E52.3Low72.1Confident198 Ų198151.2 Ų151.293%0.92574%0.742SS**  trans-124.2124.1152.7-78.6-167.5170.400108
186E48.1Very low70.8Confident191 Ų191155.9 Ų155.989%0.89375%0.748SS**  trans-7.9131.4176.8-66174.514800120.8
187L35.6Very low69.2Low250 Ų250166.3 Ų166.3100%1.30979%0.793SS**  trans22.40139.8-113.7149000119.5

Retrieved 187 of 187 residues in 355.9 ms (Link to these results)