A0A5K4F7E8_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F7E8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 279 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
1M38.4Very low37.5Very low239 Ų239163.9 Ų163.9100%1.17783%0.827SS**  0120.50-85.6173.6152.200107.1K3M1-K3 PolarHBondContact O-N 3.38Å
2N36.5Very low37Very low149 Ų149157.2 Ų157.280%0.79781%0.807SS**  trans-62.9127.3-167.6-72.6-16.6000111D4N2-D4 PolarHBondContact O-N 3.17Å
3K37.8Very low37.1Very low188 Ų188152.5 Ų152.582%0.81780%0.796SS**  trans-84.696.5164.5-69-173.8176.3-174.80105.7M1 Y5M1-K3 PolarHBondContact O-N 3.38Å; K3-Y5 WeakPolarHBondContact O-CD2 3.44Å; K3-Y5 PolarHBondContact O-N 2.87Å
4D37.6Very low37.5Very low142 Ų142150 Ų15076%0.75979%0.794SS**  trans-67.6115.6171.4-68.5-34.5000107.3N2 D6N2-D4 PolarHBondContact O-N 3.17Å; D4-D6 PolarHBondContact O-N 2.75Å
5Y35.9Very low37.5Very low219 Ų219151.9 Ų151.986%0.85980%0.797SS**  trans-67.4106.5175-74.1-98.2000106.9K3 C7K3-Y5 WeakPolarHBondContact O-CD2 3.44Å; K3-Y5 PolarHBondContact O-N 2.87Å; Y5-C7 PolarHBondContact O-N 2.85Å
6D39.9Very low37.4Very low148 Ų148149.2 Ų149.279%0.79178%0.782SS**  trans-56.8111.3160.7-79.8-39.1000106.7D4 E8D4-D6 PolarHBondContact O-N 2.75Å; D6-E8 PolarHBondContact O-N 2.89Å
7C36.2Very low37.1Very low132 Ų132152.4 Ų152.489%0.89278%0.781SS**  trans-69.279.2172.4-148.30000105.6Y5 D9Y5-C7 PolarHBondContact O-N 2.85Å; C7-D9 PolarHBondContact O-N 2.93Å
8E40.6Very low37.3Very low161 Ų161156.8 Ų156.875%0.75279%0.786SS**  trans-51.8113.4171.3-78-85.8151.800106.9D6 L10D6-E8 PolarHBondContact O-N 2.89Å; E8-L10 VanDerWaalsContact C-N 3.34Å; E8-L10 PolarHBondContact O-N 2.62Å
9D35.5Very low37.3Very low111 Ų111151.4 Ų151.459%0.59477%0.774SS**  trans-58.194.9-176.9-163.3-10.1000108.4C7 N11 S12C7-D9 PolarHBondContact O-N 2.93Å; D9-N11 PolarHBondContact O-N 3.06Å; D9-N11 PolarHBondContact OD1-N 2.93Å; D9-S12 VanDerWaalsContact O-CB 3.26Å; D9-S12 WeakPolarHBondContact O-CB 3.47Å; D9-S12 PolarHBondContact O-N 2.88Å
10L39.5Very low37Very low171 Ų171146.4 Ų146.490%0.89575%0.749SS**THydrogen-bonded Turntrans-62.7-4.6179.5-73169.9000112.4E8E8-L10 VanDerWaalsContact C-N 3.34Å; E8-L10 PolarHBondContact O-N 2.62Å
11N34.3Very low36.9Very low143 Ų143143.2 Ų143.277%0.76574%0.739SS**THydrogen-bonded Turntrans-101.5-0.5172.5-65.6-32.1000113.7D9 S13D9-N11 PolarHBondContact O-N 3.06Å; D9-N11 PolarHBondContact OD1-N 2.93Å; N11-S13 VanDerWaalsContact C-N 3.35Å; N11-S13 PolarHBondContact O-N 3.08Å
12S31.3Very low36.6Very low83 Ų83138.4 Ų138.458%0.5871%0.711SS**SBendtrans-63.299.6162.4167.40000107.5D9D9-S12 VanDerWaalsContact O-CB 3.26Å; D9-S12 WeakPolarHBondContact O-CB 3.47Å; D9-S12 PolarHBondContact O-N 2.88Å
13S38.9Very low36.6Very low96 Ų96140.7 Ų140.767%0.67171%0.71SS**  trans-42.2127.1168.5-76.20000108.3N11 E15N11-S13 VanDerWaalsContact C-N 3.35Å; N11-S13 PolarHBondContact O-N 3.08Å; S13-E15 PolarHBondContact O-N 2.68Å
14P42.1Very low37.1Very low118 Ų118139.4 Ų139.477%0.76671%0.712SS**  trans-60106.2-178.721.8-30.6000107.5I16P14-I16 PolarHBondContact O-N 3.22Å
15E38Very low37.3Very low179 Ų179139.3 Ų139.384%0.83671%0.712SS**  trans-64.586.3168-83.3-166.8151.300106.5S13 R17S13-E15 PolarHBondContact O-N 2.68Å; E15-R17 VanDerWaalsContact C-N 3.27Å; E15-R17 PolarHBondContact O-N 3.18Å
16I36.2Very low37.4Very low108 Ų108135.8 Ų135.855%0.55471%0.708SS**  trans-62.6102.6161.4-57.9175.1000104.3P14 R18 L20P14-I16 PolarHBondContact O-N 3.22Å; I16-R18 PolarHBondContact O-N 3.44Å; I16-L20 HydrophobicContact CG2-CB 4.44Å; I16-L20 WeakPolarHBondContact CG2-O 3.49Å
17R32.7Very low37.5Very low203 Ų203135 Ų13577%0.76670%0.704SS**  trans-48.7128.2173.9-78.7-173.2173.7176.8-0.5108.3E15 G19 L20E15-R17 VanDerWaalsContact C-N 3.27Å; E15-R17 PolarHBondContact O-N 3.18Å; R17-G19 PolarHBondContact O-N 3.19Å; R17-L20 HydrophobicContact CB-CD1 4.49Å; R17-L20 PolarHBondContact O-N 2.92Å
18R40Very low37.3Very low233 Ų233133.5 Ų133.588%0.87969%0.694SS**THydrogen-bonded Turntrans-51.3131.7-176.5-65.9-176.8175.3-161.62.5110.4I16I16-R18 PolarHBondContact O-N 3.44Å
19G37.5Very low37.2Very low54 Ų54131 Ų13156%0.55769%0.686SS**THydrogen-bonded Turntrans99.211.1178.400000116R17R17-G19 PolarHBondContact O-N 3.19Å
20L32.1Very low37.3Very low50 Ų50132 Ų13226%0.26269%0.69SS.*  trans-119.7103.7174.5-70.1169.4000109.9I16 R17 L29I16-L20 HydrophobicContact CG2-CB 4.44Å; I16-L20 WeakPolarHBondContact CG2-O 3.49Å; R17-L20 HydrophobicContact CB-CD1 4.49Å; R17-L20 PolarHBondContact O-N 2.92Å; L20-L29 HydrophobicContact CB-CD2 3.98Å; L20-L29 HydrophobicContact CD1-CB 4.37Å; L20-L29 HydrophobicContact CD1-CD1 4.15Å; L20-L29 HydrophobicContact CD1-CD2 4.15Å; L20-L29 HydrophobicContact CD1-CG 4.45Å; L20-L29 HydrophobicContact CD2-CB 3.82Å; L20-L29 HydrophobicContact CD2-CD2 4.4Å; L20-L29 HydrophobicContact CG-CD2 4.4Å
21C34.3Very low37Very low80 Ų80134.3 Ų134.354%0.54169%0.686SS.*  trans-78.7119.3171.6-65.50000108.9Y23 D32C21-Y23 PolarHBondContact O-N 3.12Å; C21-D32 PolarHBondContact SG-OD2 2.77Å
22K32.7Very low37.2Very low139 Ų139131.1 Ų131.160%0.60467%0.669SS**  trans-78111.5171.3-152179-173.9-171.90107.8D27K22-D27 WeakPolarHBondContact CE-OD1 3.4Å; K22-D27 IonicContact NZ-OD1 2.86Å; K22-D27 PolarHBondContact NZ-OD1 3.19Å
23Y35.3Very low37.5Very low197 Ų197133.7 Ų133.777%0.77368%0.681SS**  trans-77142.5168.2-106.8-87.7000109.7C21 N25C21-Y23 PolarHBondContact O-N 3.12Å; Y23-N25 PolarHBondContact O-N 3.04Å
24D48.9Very low37.4Very low160 Ų160137.4 Ų137.486%0.85668%0.682SS**SBendtrans-66.8-3.6-172.4-79.4-33.3000115
25N41.3Very low36.9Very low140 Ų140140.4 Ų140.475%0.74969%0.685SS**SBendtrans-139.5110.1175.8-75.5-43.4000110.3Y23Y23-N25 PolarHBondContact O-N 3.04Å
26N37.6Very low36.7Very low145 Ų145139.7 Ų139.778%0.77568%0.68SS**SBendtrans91114.5177.9-53.8-30.5000115.5S28N26-S28 PolarHBondContact O-N 3.38Å
27D43.3Very low36.7Very low133 Ų133139 Ų13971%0.71168%0.682SS**  trans-65.442.6-178.9-73.9-55.2000115K22K22-D27 WeakPolarHBondContact CE-OD1 3.4Å; K22-D27 IonicContact NZ-OD1 2.86Å; K22-D27 PolarHBondContact NZ-OD1 3.19Å
28S32.2Very low37.1Very low99 Ų99137 Ų13769%0.69269%0.686SS**  trans-105116.3171.3-97.30000111N26 I30N26-S28 PolarHBondContact O-N 3.38Å; S28-I30 PolarHBondContact O-N 3.44Å
29L38.1Very low36.9Very low110 Ų110130.1 Ų130.158%0.57667%0.673SS**  trans-79.399.2176.7-65.1167.3000109L20L20-L29 HydrophobicContact CB-CD2 3.98Å; L20-L29 HydrophobicContact CD1-CB 4.37Å; L20-L29 HydrophobicContact CD1-CD1 4.15Å; L20-L29 HydrophobicContact CD1-CD2 4.15Å; L20-L29 HydrophobicContact CD1-CG 4.45Å; L20-L29 HydrophobicContact CD2-CB 3.82Å; L20-L29 HydrophobicContact CD2-CD2 4.4Å; L20-L29 HydrophobicContact CG-CD2 4.4Å
30I36.6Very low37.1Very low132 Ų132130.1 Ų130.168%0.67766%0.664SS**  trans-87.6130.5171-51.1177.6000108.4S28 D32S28-I30 PolarHBondContact O-N 3.44Å; I30-D32 PolarHBondContact O-N 2.73Å
31R34.2Very low37.5Very low218 Ų218131.4 Ų131.482%0.82367%0.671SS**  trans-69.7107175.7-159.4-179.8-167.4-167.92.9107.7V33R31-V33 PolarHBondContact O-N 3.04Å
32D37.3Very low37.9Very low76 Ų76134.1 Ų134.141%0.40668%0.679SS.*  trans-59.5111.5177.4-88.8-37.3000109.4C21 I30 Y34C21-D32 PolarHBondContact SG-OD2 2.77Å; I30-D32 PolarHBondContact O-N 2.73Å; D32-Y34 PolarHBondContact O-N 3.26Å
33V38.5Very low38.5Very low137 Ų137136.2 Ų136.283%0.8369%0.688SS**  trans-72.3-1.6170.5-1790000110.8R31 Q35R31-V33 PolarHBondContact O-N 3.04Å; V33-Q35 PolarHBondContact O-N 2.99Å
34Y37.3Very low38.7Very low174 Ų174132.4 Ų132.468%0.68268%0.681SS**  trans-73.273.8164.2-60-76.3000109.7D32 F36D32-Y34 PolarHBondContact O-N 3.26Å; Y34-F36 HydrophobicContact CD1-CE2 4.39Å; Y34-F36 HydrophobicContact CG-CE2 4.32Å; Y34-F36 PolarHBondContact O-N 3.03Å
35Q31.7Very low38.4Very low181 Ų181127.8 Ų127.885%0.84666%0.661SS**  trans-61.377147.8-83.5-179.41.600107.1V33 P37V33-Q35 PolarHBondContact O-N 2.99Å; Q35-P37 WeakPolarHBondContact O-CD 3.48Å; Q35-P37 VanDerWaalsContact O-N 3.13Å
36F33.5Very low38.7Very low165 Ų165126 Ų12672%0.72466%0.655SS**  trans-55118.2147.8-77.3-82000104.4Y34 L38Y34-F36 HydrophobicContact CD1-CE2 4.39Å; Y34-F36 HydrophobicContact CG-CE2 4.32Å; Y34-F36 PolarHBondContact O-N 3.03Å; F36-L38 PolarHBondContact O-N 3.36Å
37P36.1Very low39.1Very low92 Ų92124.1 Ų124.160%0.59765%0.645SS**  trans-50.8121.3177.120.7-30.7000105.5Q35 S39Q35-P37 WeakPolarHBondContact O-CD 3.48Å; Q35-P37 VanDerWaalsContact O-N 3.13Å; P37-S39 PolarHBondContact O-N 3.46Å
38L40Very low39.1Very low163 Ų163122.3 Ų122.385%0.85364%0.635SS**  trans-35.2108.4-169.1-77101.1000108.3F36 P40F36-L38 PolarHBondContact O-N 3.36Å; L38-P40 WeakPolarHBondContact O-CD 3.49Å
39S36.2Very low39.8Very low87 Ų87119.7 Ų119.761%0.60862%0.619SS**  trans-52.2118.7173.738.20000105P37 D41P37-S39 PolarHBondContact O-N 3.46Å; S39-D41 PolarHBondContact O-N 2.84Å; S39-D41 VanDerWaalsContact O-N 3.09Å
40P40.9Very low39.9Very low54 Ų54116.4 Ų116.435%0.35161%0.612SS.*  trans-54.8127.8-169.219.3-31000106.8L38 I42 I66L38-P40 WeakPolarHBondContact O-CD 3.49Å; P40-I42 VanDerWaalsContact C-N 3.34Å; P40-I42 WeakPolarHBondContact O-CA 3.48Å; P40-I42 PolarHBondContact O-N 3.46Å; P40-I66 HydrophobicContact CB-CB 4.45Å; P40-I66 HydrophobicContact CB-CD1 4.36Å; P40-I66 HydrophobicContact CB-CG1 3.97Å; P40-I66 HydrophobicContact CB-CG2 3.6Å; P40-I66 HydrophobicContact CG-CB 4.4Å; P40-I66 HydrophobicContact CG-CD1 3.54Å; P40-I66 HydrophobicContact CG-CG1 3.71Å; P40-I66 HydrophobicContact CG-CG2 3.82Å
41D40.5Very low40.6Very low78 Ų78118.6 Ų118.642%0.41763%0.625SS.*  trans-43.399-166.3-157.6-4.6000109S39 K43 N44 S45S39-D41 PolarHBondContact O-N 2.84Å; S39-D41 VanDerWaalsContact O-N 3.09Å; D41-K43 PolarHBondContact O-N 3.3Å; D41-N44 HydrophobicContact CB-CB 4.24Å; D41-N44 PolarHBondContact O-N 3Å; D41-N44 PolarHBondContact OD2-ND2 2.98Å; D41-S45 PolarHBondContact O-N 3.33Å
42I43.6Very low41.2Very low136 Ų136112.2 Ų112.270%0.69763%0.627SS**THydrogen-bonded Turntrans-59.9-23.8-173.9-66.4171.1000108.6P40 N44 S45P40-I42 VanDerWaalsContact C-N 3.34Å; P40-I42 WeakPolarHBondContact O-CA 3.48Å; P40-I42 PolarHBondContact O-N 3.46Å; I42-N44 VanDerWaalsContact C-N 3.32Å; I42-N44 PolarHBondContact O-N 3.47Å; I42-S45 PolarHBondContact O-N 3.06Å
43K45.2Very low41.6Very low183 Ų183110.3 Ų110.380%0.79662%0.618SS**THydrogen-bonded Turntrans-68-24.7173.8-62.1-170.3175.5-1710114.3D41D41-K43 PolarHBondContact O-N 3.3Å
44N40.3Very low42Very low117 Ų117107.7 Ų107.763%0.62660%0.6SS**THydrogen-bonded Turntrans-102-5.3177-58.4-24.1000112.8D41 I42 T46D41-N44 HydrophobicContact CB-CB 4.24Å; D41-N44 PolarHBondContact O-N 3Å; D41-N44 PolarHBondContact OD2-ND2 2.98Å; I42-N44 VanDerWaalsContact C-N 3.32Å; I42-N44 PolarHBondContact O-N 3.47Å; N44-T46 VanDerWaalsContact C-N 3.26Å; N44-T46 PolarHBondContact O-N 2.99Å
45S41.5Very low42.7Very low64 Ų64105.5 Ų105.545%0.44860%0.598SS.*  trans-73.885.3169-69.10000108.7D41 I42 L47D41-S45 PolarHBondContact O-N 3.33Å; I42-S45 PolarHBondContact O-N 3.06Å; S45-L47 PolarHBondContact O-N 3.04Å; S45-L47 VanDerWaalsContact O-N 3.1Å
46T47.4Very low44Very low101 Ų101102.1 Ų102.162%0.6259%0.59SS**  trans-62.3113.4170.1-500000108N44 N48N44-T46 VanDerWaalsContact C-N 3.26Å; N44-T46 PolarHBondContact O-N 2.99Å; T46-N48 VanDerWaalsContact C-N 3.28Å; T46-N48 PolarHBondContact O-N 3.32Å
47L46.1Very low45Very low106 Ų10697 Ų9756%0.55557%0.571SS**  trans-63.996.8162.6-83.2164.8000106.8S45 A49 L61 F63S45-L47 PolarHBondContact O-N 3.04Å; S45-L47 VanDerWaalsContact O-N 3.1Å; L47-A49 PolarHBondContact O-N 2.74Å; L47-L61 HydrophobicContact CD2-CB 4.44Å; L47-L61 HydrophobicContact CD2-CD1 4.1Å; L47-L61 HydrophobicContact CD2-CD2 4.23Å; L47-L61 HydrophobicContact CD2-CG 4.5Å; L47-F63 HydrophobicContact CD2-CD1 4.37Å; L47-F63 HydrophobicContact CD2-CE1 3.62Å; L47-F63 HydrophobicContact CD2-CZ 4.13Å
48N44.5Very low45.9Very low96 Ų9697.6 Ų97.651%0.51357%0.572SS.*BIsolated β-bridgetrans-72.676.6166.5-75.3-18.9000107.7T46 G50T46-N48 VanDerWaalsContact C-N 3.28Å; T46-N48 PolarHBondContact O-N 3.32Å; N48-G50 VanDerWaalsContact C-N 3.32Å; N48-G50 PolarHBondContact O-N 3.44Å
49A46Very low46.7Very low44 Ų4494.7 Ų94.736%0.36457%0.566SS.*  trans-64.6103.2157.600000105.2L47 V53L47-A49 PolarHBondContact O-N 2.74Å; A49-V53 HydrophobicContact CB-CB 4.29Å
50G41.5Very low47.1Very low41 Ų4194.3 Ų94.342%0.42355%0.554SS.*  trans-52.7153170.400000109.7N48 G52 V53N48-G50 VanDerWaalsContact C-N 3.32Å; N48-G50 PolarHBondContact O-N 3.44Å; G50-G52 PolarHBondContact O-N 3.39Å; G50-V53 WeakPolarHBondContact O-CB 3.48Å; G50-V53 VanDerWaalsContact O-CG2 3.24Å; G50-V53 WeakPolarHBondContact O-CG2 3.35Å; G50-V53 PolarHBondContact O-N 2.9Å
51D50.4Low47.6Very low178 Ų17893.1 Ų93.195%0.95254%0.544SS*.THydrogen-bonded Turntrans-48.6120.2179.7-69.7-37.2000110.8
52G47.5Very low48Very low84 Ų8497.6 Ų97.687%0.86656%0.56SS**THydrogen-bonded Turntrans83.98.2179.500000116.5G50 N54G50-G52 PolarHBondContact O-N 3.39Å; G52-N54 PolarHBondContact O-N 3.11Å
53V44.2Very low48.4Very low35 Ų3597.8 Ų97.821%0.21256%0.556CS.*  trans-70.8126.1175.1168.90000110.8A49 G50 I55 Q60 L61A49-V53 HydrophobicContact CB-CB 4.29Å; G50-V53 WeakPolarHBondContact O-CB 3.48Å; G50-V53 VanDerWaalsContact O-CG2 3.24Å; G50-V53 WeakPolarHBondContact O-CG2 3.35Å; G50-V53 PolarHBondContact O-N 2.9Å; V53-I55 PolarHBondContact O-N 2.85Å; V53-Q60 HydrophobicContact CB-CB 4.48Å; V53-Q60 HydrophobicContact CG1-CB 3.42Å; V53-Q60 VanDerWaalsContact CG1-CB 3.42Å; V53-Q60 HydrophobicContact CG1-CG 4.48Å; V53-Q60 HydrophobicContact CG2-CB 4.37Å; V53-L61 HydrophobicContact CG1-CD2 4.23Å
54N47.9Very low48Very low83 Ų8393 Ų9344%0.44455%0.546SS..  trans-74.4109.2173.2-174.90.4000109.4G52 T56 D57G52-N54 PolarHBondContact O-N 3.11Å; N54-T56 PolarHBondContact ND2-OG1 3.06Å; N54-T56 PolarHBondContact O-N 3.36Å; N54-T56 PolarHBondContact OD1-N 3.5Å; N54-T56 VanDerWaalsContact OD1-N 3.08Å; N54-T56 PolarHBondContact OD1-OG1 3.19Å; N54-D57 PolarHBondContact O-N 2.98Å
55I52.5Low48.1Very low128 Ų12893.2 Ų93.266%0.65655%0.554SS**THydrogen-bonded Turntrans-60-14.7178.359.4168.9000114.2V53 D57V53-I55 PolarHBondContact O-N 2.85Å; I55-D57 VanDerWaalsContact C-N 3.31Å
56T58.2Low48.2Very low110 Ų11095.4 Ų95.468%0.67556%0.559SS**THydrogen-bonded Turntrans-77.7-1917365.70000112.8N54N54-T56 PolarHBondContact ND2-OG1 3.06Å; N54-T56 PolarHBondContact O-N 3.36Å; N54-T56 PolarHBondContact OD1-N 3.5Å; N54-T56 VanDerWaalsContact OD1-N 3.08Å; N54-T56 PolarHBondContact OD1-OG1 3.19Å
57D54.3Low47.4Very low58 Ų58101.2 Ų101.231%0.3157%0.572SS.*  trans-96.295.1176.7-174-2.9000109.9N54 I55 S59 Q60N54-D57 PolarHBondContact O-N 2.98Å; I55-D57 VanDerWaalsContact C-N 3.31Å; D57-S59 VanDerWaalsContact CG-OG 3.25Å; D57-S59 PolarHBondContact O-N 3.45Å; D57-S59 VanDerWaalsContact O-N 3.1Å; D57-S59 WeakPolarHBondContact OD1-CB 3.3Å; D57-S59 PolarHBondContact OD1-N 3.28Å; D57-S59 VanDerWaalsContact OD1-N 3.13Å; D57-S59 PolarHBondContact OD1-OG 2.83Å; D57-S59 PolarHBondContact OD2-OG 2.79Å; D57-Q60 HydrophobicContact CB-CG 4.13Å; D57-Q60 PolarHBondContact O-N 3.37Å; D57-Q60 WeakPolarHBondContact OD2-CG 3.43Å; D57-Q60 PolarHBondContact OD2-NE2 2.98Å
58V55.9Low46.9Very low104 Ų104101.1 Ų101.163%0.6358%0.579SS**G310 helixtrans-58.4-25.4-178.4-174.90000111.8Q60 L61V58-Q60 PolarHBondContact O-N 2.69Å; V58-L61 PolarHBondContact O-N 3.13Å
59S55.8Low46.3Very low102 Ų102101.3 Ų101.371%0.71359%0.586SS**G310 helixtrans-67.4-21.1179.376.30000113.5D57D57-S59 VanDerWaalsContact CG-OG 3.25Å; D57-S59 PolarHBondContact O-N 3.45Å; D57-S59 VanDerWaalsContact O-N 3.1Å; D57-S59 WeakPolarHBondContact OD1-CB 3.3Å; D57-S59 PolarHBondContact OD1-N 3.28Å; D57-S59 VanDerWaalsContact OD1-N 3.13Å; D57-S59 PolarHBondContact OD1-OG 2.83Å; D57-S59 PolarHBondContact OD2-OG 2.79Å
60Q44.5Very low45.6Very low78 Ų78104.6 Ų104.636%0.36461%0.607SS.*G310 helixtrans-87.9-11.5179-60.4-177.724.200113V53 D57 V58 K62V53-Q60 HydrophobicContact CB-CB 4.48Å; V53-Q60 HydrophobicContact CG1-CB 3.42Å; V53-Q60 VanDerWaalsContact CG1-CB 3.42Å; V53-Q60 HydrophobicContact CG1-CG 4.48Å; V53-Q60 HydrophobicContact CG2-CB 4.37Å; D57-Q60 HydrophobicContact CB-CG 4.13Å; D57-Q60 PolarHBondContact O-N 3.37Å; D57-Q60 WeakPolarHBondContact OD2-CG 3.43Å; D57-Q60 PolarHBondContact OD2-NE2 2.98Å; V58-Q60 PolarHBondContact O-N 2.69Å; Q60-K62 PolarHBondContact O-N 2.82Å
61L51.2Low45.4Very low29 Ų29111.9 Ų111.915%0.15262%0.623CS.*  trans-81.1106.3-180-60178.4000109.8L47 V53 V58 F63L47-L61 HydrophobicContact CD2-CB 4.44Å; L47-L61 HydrophobicContact CD2-CD1 4.1Å; L47-L61 HydrophobicContact CD2-CD2 4.23Å; L47-L61 HydrophobicContact CD2-CG 4.5Å; V53-L61 HydrophobicContact CG1-CD2 4.23Å; V58-L61 PolarHBondContact O-N 3.13Å; L61-F63 HydrophobicContact CB-CE2 4.15Å; L61-F63 HydrophobicContact CB-CZ 4.19Å
62K49.7Very low44.5Very low172 Ų172110.4 Ų110.475%0.74862%0.615SS**BIsolated β-bridgetrans-86.7112.7172.2-68-175.6-179.7179.70109.6Q60Q60-K62 PolarHBondContact O-N 2.82Å
63F51.3Low44.2Very low140 Ų140111.8 Ų111.861%0.61461%0.611SS**PPolyproline II helixtrans-85129.6170.3-58.1-83000109.4L47 L61L47-F63 HydrophobicContact CD2-CD1 4.37Å; L47-F63 HydrophobicContact CD2-CE1 3.62Å; L47-F63 HydrophobicContact CD2-CZ 4.13Å; L61-F63 HydrophobicContact CB-CE2 4.15Å; L61-F63 HydrophobicContact CB-CZ 4.19Å
64S38.4Very low43.7Very low83 Ų83115.3 Ų115.358%0.5864%0.637SS**PPolyproline II helixtrans-62.8138.8170.1-59.90000109.7I66S64-I66 PolarHBondContact O-N 3.21Å
65P40.8Very low43.2Very low122 Ų122119 Ų11979%0.79266%0.656SS**PPolyproline II helixtrans-57.1129.5175.5-21.431.3000110.6Y67P65-Y67 PolarHBondContact O-N 3.39Å
66I44.2Very low42.5Very low110 Ų110117.5 Ų117.556%0.56465%0.653SS**  trans-69.2113.1173.6-63.1143.5000106.8P40 S64 S68P40-I66 HydrophobicContact CB-CB 4.45Å; P40-I66 HydrophobicContact CB-CD1 4.36Å; P40-I66 HydrophobicContact CB-CG1 3.97Å; P40-I66 HydrophobicContact CB-CG2 3.6Å; P40-I66 HydrophobicContact CG-CB 4.4Å; P40-I66 HydrophobicContact CG-CD1 3.54Å; P40-I66 HydrophobicContact CG-CG1 3.71Å; P40-I66 HydrophobicContact CG-CG2 3.82Å; S64-I66 PolarHBondContact O-N 3.21Å; I66-S68 PolarHBondContact O-N 3.16Å
67Y30.5Very low41.2Very low223 Ų223119.6 Ų119.688%0.87566%0.66SS**  trans-59.7107169.6-98.3-91.6000108.7P65 P69P65-Y67 PolarHBondContact O-N 3.39Å; Y67-P69 VanDerWaalsContact O-CD 3.3Å; Y67-P69 WeakPolarHBondContact O-CD 3.26Å
68S35Very low40.2Very low103 Ų103122.1 Ų122.172%0.7267%0.674SS**  trans-78.3112.6168.126.60000108.4I66 S70I66-S68 PolarHBondContact O-N 3.16Å; S68-S70 PolarHBondContact O-N 2.85Å
69P33.2Very low39.2Very low100 Ų100122.6 Ų122.665%0.64968%0.681SS**  trans-64.6136.8178.923.5-30.2000110.8Y67 Y71Y67-P69 VanDerWaalsContact O-CD 3.3Å; Y67-P69 WeakPolarHBondContact O-CD 3.26Å; P69-Y71 PolarHBondContact O-N 2.96Å
70S31.6Very low38Very low114 Ų114120.8 Ų120.880%0.79768%0.679SS**  trans-67.2112.2176.145.60000110.6S68 N72S68-S70 PolarHBondContact O-N 2.85Å; S70-N72 PolarHBondContact O-N 3.21Å
71Y37.3Very low37.4Very low194 Ų194125.7 Ų125.776%0.76170%0.699SS**  trans-68.1117.4178.8-69.4-90.2000111.3P69 S73P69-Y71 PolarHBondContact O-N 2.96Å; Y71-S73 PolarHBondContact O-N 3.33Å
72N30.9Very low36.3Very low146 Ų146131.6 Ų131.678%0.78173%0.731SS**  trans-77.4111161.1-79.4-19.5000108.2S70 S74S70-N72 PolarHBondContact O-N 3.21Å; N72-S74 PolarHBondContact O-N 2.79Å
73S40.1Very low35.7Very low113 Ų113130.6 Ų130.679%0.7973%0.733SS**G310 helixtrans-70.516.5-172.362.90000115.5Y71Y71-S73 PolarHBondContact O-N 3.33Å
74S35.1Very low34.5Very low110 Ų110130.5 Ų130.577%0.76974%0.743SS**G310 helixtrans-85.8-4.1-177.270.70000114.2N72N72-S74 PolarHBondContact O-N 2.79Å
75L35.9Very low34.4Very low160 Ų160132.6 Ų132.684%0.83875%0.748SS**G310 helixtrans-98.23.6-174.6-142.9106.7000114.4
76V38.2Very low34Very low97 Ų97132 Ų13259%0.58875%0.747SS**  trans-115.671.9-176.8-154.40000110N78V76-N78 VanDerWaalsContact C-N 3.25Å; V76-N78 WeakPolarHBondContact CG1-ND2 3.32Å; V76-N78 WeakPolarHBondContact CG1-OD1 3.45Å; V76-N78 PolarHBondContact O-N 3.35Å
77D30.4Very low33.3Very low154 Ų154131.4 Ų131.482%0.82475%0.753SS**  trans-68.685.9163.1-108.1-21.3000108.3S79D77-S79 PolarHBondContact O-N 3.01Å; D77-S79 VanDerWaalsContact O-N 3.12Å
78N35.2Very low33.3Very low111 Ų111127.7 Ų127.759%0.59475%0.748SS**  trans-81.337.6177.7-84.7-25.8000112.5V76 G80V76-N78 VanDerWaalsContact C-N 3.25Å; V76-N78 WeakPolarHBondContact CG1-ND2 3.32Å; V76-N78 WeakPolarHBondContact CG1-OD1 3.45Å; V76-N78 PolarHBondContact O-N 3.35Å; N78-G80 PolarHBondContact O-N 3.1Å
79S33.8Very low33.1Very low114 Ų114128.2 Ų128.280%0.79776%0.759SS**THydrogen-bonded Turntrans-81.710.5-176.969.70000114.6D77D77-S79 PolarHBondContact O-N 3.01Å; D77-S79 VanDerWaalsContact O-N 3.12Å
80G30.4Very low32.8Very low64 Ų64127.3 Ų127.366%0.6676%0.755SS**THydrogen-bonded Turntrans-124.1-0.9-170.500000116.5N78 D82N78-G80 PolarHBondContact O-N 3.1Å; G80-D82 PolarHBondContact O-N 3.45Å; G80-D82 VanDerWaalsContact O-N 3.16Å
81F31.4Very low32.6Very low180 Ų180132.6 Ų132.679%0.78976%0.764SS**  trans-91.177178.4-69.2-76.8000110.3L83F81-L83 PolarHBondContact O-N 3.01Å
82D30Very low32Very low154 Ų154126.6 Ų126.682%0.82476%0.76SS**  trans-69.5106.5163.4-113.1-24.2000108.2G80 V84G80-D82 PolarHBondContact O-N 3.45Å; G80-D82 VanDerWaalsContact O-N 3.16Å; D82-V84 VanDerWaalsContact C-N 3.28Å; D82-V84 PolarHBondContact O-N 2.92Å
83L36.5Very low31.7Very low150 Ų150127.8 Ų127.879%0.78576%0.761SS**  trans-69.383.3174.9-157.4104.1000108.2F81 D85F81-L83 PolarHBondContact O-N 3.01Å; L83-D85 HydrophobicContact CD2-CB 3.88Å; L83-D85 HydrophobicContact CG-CB 4.34Å; L83-D85 PolarHBondContact O-N 2.89Å
84V26Very low31Very low138 Ų138132.9 Ų132.984%0.83676%0.763SS**  trans-77.573166.8-171.30000106.8D82D82-V84 VanDerWaalsContact C-N 3.28Å; D82-V84 PolarHBondContact O-N 2.92Å
85D36.6Very low30.5Very low127 Ų127132.7 Ų132.768%0.67976%0.761SS**  trans-71.9132.9176.8-157.61.7000109.7L83 S87L83-D85 HydrophobicContact CD2-CB 3.88Å; L83-D85 HydrophobicContact CG-CB 4.34Å; L83-D85 PolarHBondContact O-N 2.89Å; D85-S87 PolarHBondContact O-N 2.87Å
86S32.4Very low30Very low110 Ų110130.5 Ų130.577%0.76976%0.76SS**  trans-87.396.5-172.8178.90000108
87S29.1Very low29.4Very low97 Ų97133.1 Ų133.168%0.67877%0.769SS**  trans-172.384.6146.756.90000110.6D85D85-S87 PolarHBondContact O-N 2.87Å
88D29.7Very low29.4Very low146 Ų146133.6 Ų133.678%0.78177%0.771SS**  -161.2118.6128.6-105.2-21.5000111.1S90D88-S90 PolarHBondContact O-N 3.41Å
89A30.8Very low28.8Very low114 Ų114131.8 Ų131.894%0.94278%0.779SS**SBendtrans-70.375149.400000107.8
90S26.7Very low28.4Very low81 Ų81134.5 Ų134.557%0.56679%0.785SS**SBendtrans-176.9113.8162.2145.10000110.3D88 G92D88-S90 PolarHBondContact O-N 3.41Å; S90-G92 PolarHBondContact O-N 3.25Å
91F27.4Very low28.1Very low225 Ų225136.8 Ų136.899%0.98779%0.79SS**  trans-58.8106.1167.4-82.8-98.9000109.7
92G25.8Very low27.8Very low67 Ų67135.7 Ų135.769%0.69179%0.793SS**  trans-139.3104178.300000111.7S90S90-G92 PolarHBondContact O-N 3.25Å
93H25.2Very low27.7Very low171 Ų171137.4 Ų137.479%0.79280%0.796SS**  trans-29135.8173.1-74.3-81.7000119.1
94R23.8Very low27.4Very low220 Ų220136.1 Ų136.183%0.8379%0.794SS**  71119.9127.6-68.4-179.7155-165.3-6.5121.5
95S25.6Very low27.5Very low106 Ų106138.4 Ų138.474%0.74180%0.798SS**  trans54.8116.3133.965.20000121.7
96S24.5Very low27.4Very low114 Ų114142 Ų14280%0.79780%0.804SS**  173.1100.6126.144.70000108.4
97L26.9Very low27.2Very low152 Ų152142.3 Ų142.380%0.79680%0.803SS**  44.9105.793.3-92.5111.6000115.7
98L29.2Very low27.2Very low164 Ų164144.1 Ų144.186%0.85981%0.805SS**  trans59.581.5148-68.599.2000116.8
99G23.4Very low27.4Very low73 Ų73144.1 Ų144.175%0.75380%0.803SS**  trans-133.7114.616400000110.1
100N24.2Very low27.3Very low172 Ų172145.8 Ų145.892%0.9280%0.796SS**  trans-51.8137.4168-58.1-34.2000111.1
101S25.3Very low27.4Very low111 Ų111151.5 Ų151.578%0.77681%0.81SS**  trans-161122.6143.457.30000111
102D24.2Very low27.6Very low158 Ų158148.2 Ų148.285%0.84580%0.802SS**  trans-48.4130.3158.7-55.4-63.2000111.3
103E29.1Very low27.6Very low189 Ų189155 Ų15588%0.88381%0.812SS**  158.7108.9127.6-85.6-161.4161.800109.9M105E103-M105 PolarHBondContact O-N 3.4Å
104T29.4Very low27.8Very low124 Ų124149.9 Ų149.976%0.76181%0.806SS**  trans-60.9104.9172.345.30000111.1
105M28.3Very low28.1Very low185 Ų185147 Ų14791%0.91181%0.806SS**  trans-119.795163.4-153.2176178.700109.3E103E103-M105 PolarHBondContact O-N 3.4Å
106Y33.7Very low28.3Very low204 Ų204147.1 Ų147.180%0.880%0.804SS**  trans-66131.7174-74.4-88.8000110.4
107P30.1Very low28.6Very low116 Ų116150.7 Ų150.775%0.75381%0.808SS**  trans-71136.4174.526.1-30.5000112I109P107-I109 PolarHBondContact O-N 3.04Å
108N27.2Very low28.8Very low134 Ų134150.8 Ų150.872%0.71781%0.808SS**  trans-44.9110-179-127.1-32.2000115.3L110N108-L110 WeakPolarHBondContact OD1-CB 3.25Å; N108-L110 WeakPolarHBondContact OD1-CD1 3.24Å
109I34Very low28.7Very low146 Ų146147.6 Ų147.675%0.74980%0.799SS**  trans-11549.5153.5-45.9177.7000108.7P107 K111P107-I109 PolarHBondContact O-N 3.04Å; I109-K111 PolarHBondContact O-N 3.21Å
110L28.7Very low29Very low149 Ų149151.4 Ų151.478%0.7880%0.801SS**THydrogen-bonded Turntrans-75.773.9149.8-81.7164.1000108.8N108N108-L110 WeakPolarHBondContact OD1-CB 3.25Å; N108-L110 WeakPolarHBondContact OD1-CD1 3.24Å
111K30.1Very low29.1Very low201 Ų201147.7 Ų147.787%0.87479%0.788SS**THydrogen-bonded Turntrans-141.86.4157.7-79.8-162.7-179.31740114.6I109I109-K111 PolarHBondContact O-N 3.21Å
112L30.4Very low29Very low156 Ų156150.4 Ų150.482%0.81779%0.788SS**SBendtrans-100.8103.5165.5-81.9156.7000108.2G114L112-G114 PolarHBondContact O-N 3.07Å
113K26.2Very low29.2Very low209 Ų209150.5 Ų150.591%0.90979%0.787SS**  trans-64.786.2174.3-162.9171.3-177178.90107.8I115K113-I115 PolarHBondContact O-N 2.83Å
114G29.1Very low29.6Very low64 Ų64146.8 Ų146.866%0.6678%0.78SS**PPolyproline II helixtrans-61127.6175.300000110L112L112-G114 PolarHBondContact O-N 3.07Å
115I29.6Very low29.4Very low160 Ų160150 Ų15082%0.82179%0.786SS**PPolyproline II helixtrans-67.1122.2174.7-61.8164.6000106.6K113 E117K113-I115 PolarHBondContact O-N 2.83Å; I115-E117 PolarHBondContact O-N 3.1Å
116P30.5Very low29.4Very low108 Ų108146.6 Ų146.670%0.70178%0.78SS**PPolyproline II helixtrans-67.7125.1-173.923.2-30.2000111.2I118P116-I118 PolarHBondContact O-N 2.64Å
117E30.3Very low29Very low190 Ų190145.9 Ų145.989%0.88878%0.784SS**PPolyproline II helixtrans-60.3118.7168.6-69.3178.6165.100109.3I115 S119I115-E117 PolarHBondContact O-N 3.1Å; E117-S119 PolarHBondContact O-N 3.29Å
118I32.7Very low28.9Very low153 Ų153149.8 Ų149.879%0.78579%0.793SS**  trans-77.395.8179-56.4167.5000107.3P116 I120P116-I118 PolarHBondContact O-N 2.64Å; I118-I120 HydrophobicContact CG2-CG1 4.16Å; I118-I120 PolarHBondContact O-N 2.81Å
119S25.7Very low28.8Very low97 Ų97148.8 Ų148.868%0.67880%0.796SS**  trans-68103.5166.2162.50000109.2E117 S121E117-S119 PolarHBondContact O-N 3.29Å; S119-S121 PolarHBondContact O-N 2.89Å
120I29.3Very low28.5Very low153 Ų153149.8 Ų149.879%0.78580%0.802SS**  trans-83.275170.3-55166.5000107.6I118I118-I120 HydrophobicContact CG2-CG1 4.16Å; I118-I120 PolarHBondContact O-N 2.81Å
121S26.9Very low28.4Very low94 Ų94151.6 Ų151.666%0.65781%0.806SS**  trans-88.9121.2162.954.90000108.5S119S119-S121 PolarHBondContact O-N 2.89Å
122H22.9Very low28.3Very low168 Ų168153 Ų15378%0.77881%0.806SS**  trans-49.7166.2173-77.4-76.5000114.3
123I28.6Very low28.1Very low160 Ų160150 Ų15082%0.82180%0.798SS**  trans119.4138.7147-55.5154000113.2
124P37.8Very low28Very low112 Ų112150.5 Ų150.573%0.72779%0.794SS**  -129.7-176.3-68.941.6-21000111.6S126P124-S126 PolarHBondContact O-N 3.44Å
125E25.1Very low27.8Very low191 Ų191157 Ų15789%0.89380%0.804SS**  trans-57.7126.8170.4-61.5169.3157.400112.5
126S27.7Very low27.7Very low114 Ų114154.4 Ų154.480%0.79780%0.8SS**  trans-141.8109.2149.869.20000110P124P124-S126 PolarHBondContact O-N 3.44Å
127E25.2Very low27.8Very low189 Ų189155.3 Ų155.388%0.88381%0.806SS**  trans-54.2128.6163.2-54.9174.3129.800110.4
128Q28.8Very low27.8Very low198 Ų198152.8 Ų152.893%0.92580%0.804SS**  trans-162.2124.4140.2-115.9172.64400112.3
129S24.5Very low27.4Very low113 Ų113148.7 Ų148.779%0.7980%0.799SS**  trans-63145.3176.6-40.20000112.9
130L28.2Very low27.6Very low166 Ų166154.7 Ų154.787%0.86981%0.814SS**  trans-153.2105.3138.5-143.788.5000111.1
131E26.9Very low27.8Very low187 Ų187151.2 Ų151.287%0.87480%0.803SS**  trans-56.5129.3154.5-72.6179.612200110.3
132R27.3Very low28.4Very low232 Ų232153.9 Ų153.988%0.87581%0.805SS**  trans-169.6106.7139-109.6179.8-178.3176.32.2108.3
133S27.3Very low29.2Very low92 Ų92151.5 Ų151.564%0.64380%0.798SS**  74.8107.288.8174.50000114.5
134R23.9Very low29.4Very low220 Ų220151.2 Ų151.283%0.8380%0.798SS**  trans77109138.2-68.2177.7176.8-177.20.9119.1
135K24.8Very low29.2Very low201 Ų201151.8 Ų151.887%0.87479%0.791SS**  69.4101.1127.8-67.9-176.4175.4-175.20117.7
136S26.6Very low29.8Very low105 Ų105146.9 Ų146.973%0.73477%0.77SS**  trans-141.5134130.560.50000108.9
137P34Very low30.1Very low127 Ų127150 Ų15083%0.82577%0.772SS**SBendtrans-104.663.4177.737.7-28.7000110.5
138T28.7Very low30.6Very low137 Ų137149.7 Ų149.784%0.8477%0.768SS**  trans-169.294.9157.4-13.50000108.2
139G25.8Very low30.7Very low66 Ų66148.9 Ų148.968%0.6876%0.756SS**  trans178.763.1-176.700000108.7S141G139-S141 PolarHBondContact O-N 3.45Å
140F28.3Very low31.1Very low224 Ų224153.4 Ų153.498%0.98276%0.757SS**  trans-61.789.1157.3-74.7-84.4000106.3
141S35.5Very low31.5Very low80 Ų80150.9 Ų150.956%0.55975%0.754SS**  trans-102.4110.1162.4-178.40000105.4G139 N143G139-S141 PolarHBondContact O-N 3.45Å; S141-N143 PolarHBondContact O-N 3.39Å
142E38.1Very low31.8Very low149 Ų149146.5 Ų146.570%0.69674%0.744SS**G310 helixtrans-47.44.2-179.9-156.8171.4178.400115.9E145E142-E145 PolarHBondContact O-N 2.79Å
143N39.1Very low32.2Very low119 Ų119142.7 Ų142.764%0.63674%0.74SS**G310 helixtrans-79.7-18.4-174.7-66.6-13000113.6S141S141-N143 PolarHBondContact O-N 3.39Å
144D33.7Very low32.5Very low154 Ų154144.2 Ų144.282%0.82475%0.746SS**G310 helixtrans-85.1-9.9173.8-79.5-12.4000113.4
145E34Very low33.2Very low124 Ų124140.7 Ų140.758%0.57974%0.739SS**THydrogen-bonded Turntrans-96.3-15.3-178.5-146.9-179.6172.200113.5E142E142-E145 PolarHBondContact O-N 2.79Å
146I36.6Very low33.9Very low87 Ų87140.3 Ų140.345%0.44674%0.737SS.*G310 helixtrans-79.4-25.4-175.9-61.2169.5000111.9K148 R149I146-K148 PolarHBondContact O-N 2.8Å; I146-K148 VanDerWaalsContact O-N 3.1Å; I146-R149 PolarHBondContact O-N 3.28Å
147E35.7Very low34.4Very low181 Ų181141.7 Ų141.785%0.84673%0.732SS**G310 helixtrans-65-14.8177.4-107.8-175174.400113.8
148K34.3Very low34.9Very low181 Ų181139.8 Ų139.879%0.78772%0.718SS**G310 helixtrans-96.4-4.7177.2-75.6-175.1178.4176.50115.5I146I146-K148 PolarHBondContact O-N 2.8Å; I146-K148 VanDerWaalsContact O-N 3.1Å
149R31.9Very low35.5Very low182 Ų182136.9 Ų136.969%0.68770%0.701SS**G310 helixtrans-90.4-1.9-173.4-72-165-179.5-171.74.8115.9I146I146-R149 PolarHBondContact O-N 3.28Å
150Y32.6Very low36.6Very low208 Ų208139.1 Ų139.182%0.81670%0.703SS**G310 helixtrans-90.511.5176.5-74.8-75.9000115.4
151S35.5Very low37.9Very low113 Ų113132.8 Ų132.879%0.7968%0.679SS**G310 helixtrans-110.720.3175.3-60.60000114.8D153S151-D153 PolarHBondContact O-N 2.9Å; S151-D153 VanDerWaalsContact O-N 3.13Å
152S33.2Very low38.9Very low95 Ų95132.8 Ų132.866%0.66467%0.672SS**  trans-8670.4163.3-53.10000108.5T154S152-T154 PolarHBondContact O-N 3.48Å
153D36.3Very low40Very low151 Ų151131.1 Ų131.181%0.80767%0.668SS**  trans-44.9106.4150.6-112.6-26.9000104.7S151 Q155S151-D153 PolarHBondContact O-N 2.9Å; S151-D153 VanDerWaalsContact O-N 3.13Å; D153-Q155 PolarHBondContact O-N 3.38Å
154T33.9Very low41.1Very low125 Ų125130 Ų13077%0.76766%0.661SS**  trans-73.176.7175.824.60000104.8S152 K156S152-T154 PolarHBondContact O-N 3.48Å; T154-K156 PolarHBondContact O-N 2.87Å
155Q39.4Very low42.6Very low145 Ų145130.4 Ų130.468%0.67865%0.651SS**  trans-35.299.1147.9-88.2-178-15.500104.7D153 Q157D153-Q155 PolarHBondContact O-N 3.38Å; Q155-Q157 HydrophobicContact CB-CG 4.27Å; Q155-Q157 PolarHBondContact O-N 2.79Å
156K39Very low43.9Very low193 Ų193128 Ų12884%0.83965%0.645SS**  trans-66.975.8159.7-70.9-178.9-178.5175.50104T154 V158T154-K156 PolarHBondContact O-N 2.87Å; K156-V158 PolarHBondContact O-N 3.15Å
157Q37.4Very low45.1Very low134 Ų134130.5 Ų130.563%0.62665%0.653SS**  trans-48.6113.3161.4-73.7-178.23.900103.5Q155 T159Q155-Q157 HydrophobicContact CB-CG 4.27Å; Q155-Q157 PolarHBondContact O-N 2.79Å; Q157-T159 PolarHBondContact O-N 2.82Å
158V43.7Very low46.4Very low88 Ų88126.2 Ų126.253%0.53364%0.635SS.*  trans-64.884.1168.3177.20000103.5K156 L162 L163K156-V158 PolarHBondContact O-N 3.15Å; V158-L162 HydrophobicContact CB-CD2 4.35Å; V158-L162 HydrophobicContact CG1-CB 4.04Å; V158-L162 HydrophobicContact CG1-CD2 4.06Å; V158-L162 HydrophobicContact CG1-CG 4.39Å; V158-L162 HydrophobicContact CG2-CD2 4.12Å; V158-L163 HydrophobicContact CG1-CB 4.15Å
159T40.7Very low47.8Very low76 Ų76123 Ų12347%0.46662%0.622SS.*  trans-53.2144.417237.40000106Q157 N161 L162Q157-T159 PolarHBondContact O-N 2.82Å; T159-N161 CarbonylContact O-C 3.57Å; T159-N161 PolarHBondContact O-N 3.06Å; T159-L162 WeakPolarHBondContact O-CB 3.41Å; T159-L162 PolarHBondContact O-N 3.3Å
160P49.8Very low49.1Very low112 Ų112118.3 Ų118.373%0.72761%0.608SS**Hα-helixtrans-51.4-23.3178.414.8-27.8000112.4L164P160-L164 WeakPolarHBondContact O-CB 2.82Å; P160-L164 PolarHBondContact O-N 2.97Å
161N55.5Low50.6Low91 Ų91116.1 Ų116.149%0.48760%0.603SS.*Hα-helixtrans-62.6-40.2170.8-146.8-54.1000113.9T159 R165T159-N161 CarbonylContact O-C 3.57Å; T159-N161 PolarHBondContact O-N 3.06Å; N161-R165 WeakPolarHBondContact O-CB 3.5Å; N161-R165 VanDerWaalsContact O-CG 3.23Å; N161-R165 WeakPolarHBondContact O-CG 3.2Å; N161-R165 PolarHBondContact O-N 2.91Å; N161-R165 PolarHBondContact OD1-NE 3.08Å
162L56.6Low51.9Low80 Ų80118.8 Ų118.842%0.41960%0.601SS.*Hα-helixtrans-67.3-44.2176.8-17171.4000111.1V158 T159 L164 R165 T166V158-L162 HydrophobicContact CB-CD2 4.35Å; V158-L162 HydrophobicContact CG1-CB 4.04Å; V158-L162 HydrophobicContact CG1-CD2 4.06Å; V158-L162 HydrophobicContact CG1-CG 4.39Å; V158-L162 HydrophobicContact CG2-CD2 4.12Å; T159-L162 WeakPolarHBondContact O-CB 3.41Å; T159-L162 PolarHBondContact O-N 3.3Å; L162-L164 VanDerWaalsContact C-N 3.33Å; L162-L164 PolarHBondContact O-N 2.82Å; L162-R165 WeakPolarHBondContact O-CB 3.21Å; L162-R165 PolarHBondContact O-N 2.9Å; L162-T166 PolarHBondContact O-N 3.35Å; L162-T166 PolarHBondContact O-OG1 2.92Å
163L62.1Low53Low115 Ų115119.1 Ų119.160%0.60259%0.591SS**Hα-helixtrans-64.2-40.7177.2-167136.9000111.4V158 T166 K167V158-L163 HydrophobicContact CG1-CB 4.15Å; L163-T166 PolarHBondContact O-N 3.04Å; L163-K167 WeakPolarHBondContact O-CB 3.06Å; L163-K167 PolarHBondContact O-N 3.1Å
164L61.7Low54Low94 Ų94114 Ų11449%0.49256%0.563SS.*Hα-helixtrans-64.4-39.9173.2-171.965.8000112.1P160 L162 K167 N168P160-L164 WeakPolarHBondContact O-CB 2.82Å; P160-L164 PolarHBondContact O-N 2.97Å; L162-L164 VanDerWaalsContact C-N 3.33Å; L162-L164 PolarHBondContact O-N 2.82Å; L164-K167 PolarHBondContact O-N 2.83Å; L164-N168 WeakPolarHBondContact O-CB 3.28Å; L164-N168 VanDerWaalsContact O-CG 3.24Å; L164-N168 PolarHBondContact O-N 3.25Å; L164-N168 PolarHBondContact O-ND2 2.86Å
165R64.1Low54.8Low164 Ų164112.6 Ų112.662%0.61956%0.558SS**Hα-helixtrans-63.2-45.4174-79.8176.8-168.7-170.2-1.3111.8N161 L162 K167 N168 F169N161-R165 WeakPolarHBondContact O-CB 3.5Å; N161-R165 VanDerWaalsContact O-CG 3.23Å; N161-R165 WeakPolarHBondContact O-CG 3.2Å; N161-R165 PolarHBondContact O-N 2.91Å; N161-R165 PolarHBondContact OD1-NE 3.08Å; L162-R165 WeakPolarHBondContact O-CB 3.21Å; L162-R165 PolarHBondContact O-N 2.9Å; R165-K167 VanDerWaalsContact C-N 3.33Å; R165-K167 PolarHBondContact O-N 3.22Å; R165-N168 PolarHBondContact O-N 3.03Å; R165-F169 VanDerWaalsContact O-CB 3.26Å; R165-F169 WeakPolarHBondContact O-CB 3.08Å; R165-F169 PolarHBondContact O-N 2.89Å
166T61.8Low55.2Low72 Ų72110.7 Ų110.744%0.44256%0.559SS.*Hα-helixtrans-62.2-43.1175.8-54.80000110.4L162 L163 N168 F169 M170L162-T166 PolarHBondContact O-N 3.35Å; L162-T166 PolarHBondContact O-OG1 2.92Å; L163-T166 PolarHBondContact O-N 3.04Å; T166-N168 PolarHBondContact O-N 3.17Å; T166-F169 PolarHBondContact O-N 2.97Å; T166-M170 HydrophobicContact CG2-CG 4.39Å; T166-M170 HydrophobicContact CG2-SD 4.34Å; T166-M170 WeakPolarHBondContact O-CB 3.5Å; T166-M170 VanDerWaalsContact O-CG 3.27Å; T166-M170 WeakPolarHBondContact O-CG 3.32Å; T166-M170 PolarHBondContact O-N 3.03Å
167K61.3Low55.4Low141 Ų141104.2 Ų104.261%0.61354%0.536SS*.Hα-helixtrans-62.2-43.2175.6-170.8176.8-178.21760112.2L163 L164 R165 M170 K171L163-K167 WeakPolarHBondContact O-CB 3.06Å; L163-K167 PolarHBondContact O-N 3.1Å; L164-K167 PolarHBondContact O-N 2.83Å; R165-K167 VanDerWaalsContact C-N 3.33Å; R165-K167 PolarHBondContact O-N 3.22Å; K167-M170 PolarHBondContact O-N 2.79Å; K167-K171 VanDerWaalsContact O-CB 3.29Å; K167-K171 WeakPolarHBondContact O-CB 3.44Å; K167-K171 PolarHBondContact O-N 2.88Å
168N63.3Low55.9Low90 Ų90106.1 Ų106.148%0.48155%0.55SS.*Hα-helixtrans-67.4-39.3176.8-74.5-17.9000111.9L164 R165 T166 K171 K172L164-N168 WeakPolarHBondContact O-CB 3.28Å; L164-N168 VanDerWaalsContact O-CG 3.24Å; L164-N168 PolarHBondContact O-N 3.25Å; L164-N168 PolarHBondContact O-ND2 2.86Å; R165-N168 PolarHBondContact O-N 3.03Å; T166-N168 PolarHBondContact O-N 3.17Å; N168-K171 PolarHBondContact O-N 3.49Å; N168-K172 VanDerWaalsContact O-CB 3.26Å; N168-K172 WeakPolarHBondContact O-CB 3.49Å; N168-K172 PolarHBondContact O-N 3.3Å
169F64.5Low56.2Low115 Ų115105.5 Ų105.550%0.50456%0.555SS.*Hα-helixtrans-62.2-50.3173.7179.5-92.5000110.3R165 T166 K171 K172 H173R165-F169 VanDerWaalsContact O-CB 3.26Å; R165-F169 WeakPolarHBondContact O-CB 3.08Å; R165-F169 PolarHBondContact O-N 2.89Å; T166-F169 PolarHBondContact O-N 2.97Å; F169-K171 VanDerWaalsContact C-N 3.34Å; F169-K171 PolarHBondContact O-N 3.38Å; F169-K172 PolarHBondContact O-N 2.93Å; F169-H173 AromaticContact CD2-CD2 3.25Å; F169-H173 WeakPolarHBondContact CD2-CD2 3.24Å; F169-H173 AromaticContact CD2-NE2 3.59Å; F169-H173 AromaticContact CE2-CD2 3.24Å; F169-H173 WeakPolarHBondContact CE2-CD2 3.32Å; F169-H173 AromaticContact CE2-CG 3.99Å; F169-H173 AromaticContact CE2-NE2 3.45Å; F169-H173 WeakPolarHBondContact CE2-NE2 3.04Å; F169-H173 AromaticContact CG-CD2 3.76Å; F169-H173 HydrophobicContact CZ-CB 4.5Å; F169-H173 AromaticContact CZ-CD2 3.76Å; F169-H173 WeakPolarHBondContact O-CB 3.15Å; F169-H173 PolarHBondContact O-CD2 3.31Å; F169-H173 PolarHBondContact O-N 3.4Å
170M59.5Low56.7Low82 Ų82103.8 Ų103.840%0.40454%0.544SS..Hα-helixtrans-60.2-43.1176.5-71.1-174.275.800111.7T166 K167 K172 H174T166-M170 HydrophobicContact CG2-CG 4.39Å; T166-M170 HydrophobicContact CG2-SD 4.34Å; T166-M170 WeakPolarHBondContact O-CB 3.5Å; T166-M170 VanDerWaalsContact O-CG 3.27Å; T166-M170 WeakPolarHBondContact O-CG 3.32Å; T166-M170 PolarHBondContact O-N 3.03Å; K167-M170 PolarHBondContact O-N 2.79Å; M170-K172 PolarHBondContact O-N 3.48Å; M170-H174 VanDerWaalsContact O-CA 3.28Å; M170-H174 WeakPolarHBondContact O-CA 3.23Å; M170-H174 WeakPolarHBondContact O-CB 3.37Å; M170-H174 PolarHBondContact O-N 2.78Å
171K62.7Low56.6Low163 Ų163100.9 Ų100.971%0.70953%0.526SS*.Hα-helixtrans-64-38.7176.8-171.7178.7179.4-177.20112.4K167 N168 F169 S175K167-K171 VanDerWaalsContact O-CB 3.29Å; K167-K171 WeakPolarHBondContact O-CB 3.44Å; K167-K171 PolarHBondContact O-N 2.88Å; N168-K171 PolarHBondContact O-N 3.49Å; F169-K171 VanDerWaalsContact C-N 3.34Å; F169-K171 PolarHBondContact O-N 3.38Å; K171-S175 WeakPolarHBondContact O-CB 3.4Å
172K63.1Low56.3Low169 Ų169100.1 Ų100.174%0.73553%0.532SS*.Hα-helixtrans-76.9-34.1-178.8-169.6178.7-179.9-176.10112.9N168 F169 M170N168-K172 VanDerWaalsContact O-CB 3.26Å; N168-K172 WeakPolarHBondContact O-CB 3.49Å; N168-K172 PolarHBondContact O-N 3.3Å; F169-K172 PolarHBondContact O-N 2.93Å; M170-K172 PolarHBondContact O-N 3.48Å
173H57.1Low55.8Low101 Ų101102.3 Ų102.347%0.46854%0.54SS..Hα-helixtrans-104.4-15.7-173.6-67.2-77.2000114.2F169F169-H173 AromaticContact CD2-CD2 3.25Å; F169-H173 WeakPolarHBondContact CD2-CD2 3.24Å; F169-H173 AromaticContact CD2-NE2 3.59Å; F169-H173 AromaticContact CE2-CD2 3.24Å; F169-H173 WeakPolarHBondContact CE2-CD2 3.32Å; F169-H173 AromaticContact CE2-CG 3.99Å; F169-H173 AromaticContact CE2-NE2 3.45Å; F169-H173 WeakPolarHBondContact CE2-NE2 3.04Å; F169-H173 AromaticContact CG-CD2 3.76Å; F169-H173 HydrophobicContact CZ-CB 4.5Å; F169-H173 AromaticContact CZ-CD2 3.76Å; F169-H173 WeakPolarHBondContact O-CB 3.15Å; F169-H173 PolarHBondContact O-CD2 3.31Å; F169-H173 PolarHBondContact O-N 3.4Å
174H56.3Low55Low44 Ų44103.1 Ų103.120%0.20454%0.535CS..SBendtrans-125.218.3-178.3-48.2-49.7000113M170 C176 V177 W184M170-H174 VanDerWaalsContact O-CA 3.28Å; M170-H174 WeakPolarHBondContact O-CA 3.23Å; M170-H174 WeakPolarHBondContact O-CB 3.37Å; M170-H174 PolarHBondContact O-N 2.78Å; H174-C176 PolarHBondContact O-N 2.85Å; H174-V177 HydrophobicContact CB-CB 4.34Å; H174-V177 HydrophobicContact CB-CG2 4.23Å; H174-V177 PolarHBondContact O-N 3.39Å; H174-W184 AromaticContact CE1-CH2 3.68Å; H174-W184 AromaticContact CE1-CZ3 3.3Å; H174-W184 WeakPolarHBondContact CE1-CZ3 3.27Å; H174-W184 AromaticContact ND1-CZ3 3.7Å; H174-W184 AromaticContact NE2-CZ3 3.69Å
175S50.6Low54.1Low95 Ų95104 Ų10466%0.66454%0.539SS*.THydrogen-bonded Turntrans-56.2-21.5171.657.70000113.5K171K171-S175 WeakPolarHBondContact O-CB 3.4Å
176C48.5Very low53Low105 Ų10599.8 Ų99.871%0.70954%0.535SS*.THydrogen-bonded Turntrans-96.74.7178.540.20000113.9H174H174-C176 PolarHBondContact O-N 2.85Å
177V43Very low52.1Low57 Ų5799.5 Ų99.535%0.34554%0.54SS..  trans-115.390.1179.8-162.90000108.4H174 A179H174-V177 HydrophobicContact CB-CB 4.34Å; H174-V177 HydrophobicContact CB-CG2 4.23Å; H174-V177 PolarHBondContact O-N 3.39Å; V177-A179 WeakPolarHBondContact CG1-O 3.13Å; V177-A179 PolarHBondContact O-N 3.44Å
178D47.9Very low51.2Low175 Ų17598 Ų9894%0.93655%0.545SS*.SBendtrans-54.9-21.5176.1-71.9-37.2000112.7
179A50.5Low50.2Low75 Ų7599.1 Ų99.162%0.6256%0.555SS**SBendtrans-144.6106.417300000110.9V177V177-A179 WeakPolarHBondContact CG1-O 3.13Å; V177-A179 PolarHBondContact O-N 3.44Å
180P50Low49Very low39 Ų3997.3 Ų97.325%0.25356%0.561SS.*  trans-57.6146.2175.321.4-29000110.2A182 W184 I185P180-A182 PolarHBondContact O-N 2.84Å; P180-W184 HydrophobicContact CB-CE3 4.04Å; P180-I185 HydrophobicContact CB-CG1 4.41Å; P180-I185 HydrophobicContact CG-CD1 3.85Å; P180-I185 HydrophobicContact CG-CG1 3.9Å
181P48.8Very low47.9Very low52 Ų5299.7 Ų99.734%0.33857%0.574SS.*  trans-50.2135.1175.5-27.534.5000111.3H183 W184P181-H183 WeakPolarHBondContact CB-CE1 3.48Å; P181-H183 WeakPolarHBondContact CB-ND1 3.26Å; P181-H183 PolarHBondContact O-N 3.18Å; P181-W184 HydrophobicContact CG-CD2 4.38Å; P181-W184 HydrophobicContact CG-CE3 4.44Å; P181-W184 WeakPolarHBondContact O-CB 3.25Å; P181-W184 PolarHBondContact O-N 3.21Å
182A49.2Very low46.6Very low75 Ų7597.3 Ų97.362%0.6257%0.574SS**Hα-helixtrans-51.1-34.8-172.600000113.3P180 W184 I185 S186P180-A182 PolarHBondContact O-N 2.84Å; A182-W184 PolarHBondContact O-N 3.45Å; A182-I185 PolarHBondContact O-N 3.47Å; A182-I185 VanDerWaalsContact O-N 3.13Å; A182-S186 WeakPolarHBondContact O-CB 3.44Å; A182-S186 PolarHBondContact O-N 2.92Å; A182-S186 PolarHBondContact O-OG 2.86Å
183H45.9Very low45.4Very low126 Ų12693 Ų9358%0.58356%0.563SS**Hα-helixtrans-64.4-19.1179.269.3-84.7000114.8P181 S186P181-H183 WeakPolarHBondContact CB-CE1 3.48Å; P181-H183 WeakPolarHBondContact CB-ND1 3.26Å; P181-H183 PolarHBondContact O-N 3.18Å; H183-S186 VanDerWaalsContact CA-OG 3.24Å; H183-S186 WeakPolarHBondContact CA-OG 3.43Å; H183-S186 PolarHBondContact O-OG 3.45Å
184W45Very low44.3Very low131 Ų13192.8 Ų92.850%0.49657%0.565SS.*Hα-helixtrans-83.5-30.3174.2-67.6-3.1000112.8H174 P180 P181 A182H174-W184 AromaticContact CE1-CH2 3.68Å; H174-W184 AromaticContact CE1-CZ3 3.3Å; H174-W184 WeakPolarHBondContact CE1-CZ3 3.27Å; H174-W184 AromaticContact ND1-CZ3 3.7Å; H174-W184 AromaticContact NE2-CZ3 3.69Å; P180-W184 HydrophobicContact CB-CE3 4.04Å; P181-W184 HydrophobicContact CG-CD2 4.38Å; P181-W184 HydrophobicContact CG-CE3 4.44Å; P181-W184 WeakPolarHBondContact O-CB 3.25Å; P181-W184 PolarHBondContact O-N 3.21Å; A182-W184 PolarHBondContact O-N 3.45Å
185I44.1Very low43.3Very low112 Ų112100.7 Ų100.757%0.57459%0.593SS**Hα-helixtrans-85.9-27.1176.4-30.8174.8000110.4P180 A182 A187P180-I185 HydrophobicContact CB-CG1 4.41Å; P180-I185 HydrophobicContact CG-CD1 3.85Å; P180-I185 HydrophobicContact CG-CG1 3.9Å; A182-I185 PolarHBondContact O-N 3.47Å; A182-I185 VanDerWaalsContact O-N 3.13Å; I185-A187 VanDerWaalsContact C-N 3.28Å; I185-A187 PolarHBondContact O-N 2.94Å
186S39.2Very low42.9Very low76 Ų76102.5 Ų102.553%0.53160%0.596SS.*  trans-86.813.6-176.677.10000113.9A182 H183 P188A182-S186 WeakPolarHBondContact O-CB 3.44Å; A182-S186 PolarHBondContact O-N 2.92Å; A182-S186 PolarHBondContact O-OG 2.86Å; H183-S186 VanDerWaalsContact CA-OG 3.24Å; H183-S186 WeakPolarHBondContact CA-OG 3.43Å; H183-S186 PolarHBondContact O-OG 3.45Å; S186-P188 VanDerWaalsContact C-CD 3.43Å; S186-P188 VanDerWaalsContact C-N 3.34Å; S186-P188 WeakPolarHBondContact O-CD 3.31Å
187A43.2Very low42.6Very low66 Ų66102.7 Ų102.755%0.54559%0.589SS.*SBendtrans-74.998.6152.800000104.8I185 V189I185-A187 VanDerWaalsContact C-N 3.28Å; I185-A187 PolarHBondContact O-N 2.94Å; A187-V189 VanDerWaalsContact C-N 3.25Å; A187-V189 PolarHBondContact O-N 3.03Å
188P42.1Very low42.3Very low111 Ų111101.3 Ų101.372%0.72158%0.58SS**  trans-56.5108.2161.626.7-32.3000104.1S186 A190S186-P188 VanDerWaalsContact C-CD 3.43Å; S186-P188 VanDerWaalsContact C-N 3.34Å; S186-P188 WeakPolarHBondContact O-CD 3.31Å; P188-A190 PolarHBondContact O-N 2.8Å
189V42.6Very low41.8Very low113 Ų113101.1 Ų101.169%0.68557%0.573SS**  trans-54.9108.3153.4-178.30000101.6A187 L191A187-V189 VanDerWaalsContact C-N 3.25Å; A187-V189 PolarHBondContact O-N 3.03Å; V189-L191 HydrophobicContact CB-CG 4.26Å; V189-L191 HydrophobicContact CG1-CD2 3.81Å; V189-L191 HydrophobicContact CG1-CG 3.81Å; V189-L191 PolarHBondContact O-N 2.81Å
190A38.8Very low41.5Very low77 Ų77101.8 Ų101.864%0.63657%0.574SS**  trans-64.876.3176.700000106.8P188 T192P188-A190 PolarHBondContact O-N 2.8Å; A190-T192 PolarHBondContact O-N 2.95Å; A190-T192 VanDerWaalsContact O-N 3.1Å
191L38.1Very low41Very low131 Ų131102.6 Ų102.669%0.68658%0.58SS**  trans-8042.9162.9-60.9176.4000107.6V189 P193V189-L191 HydrophobicContact CB-CG 4.26Å; V189-L191 HydrophobicContact CG1-CD2 3.81Å; V189-L191 HydrophobicContact CG1-CG 3.81Å; V189-L191 PolarHBondContact O-N 2.81Å; L191-P193 WeakPolarHBondContact O-CD 3.39Å
192T33.9Very low41Very low113 Ų113104.4 Ų104.469%0.69359%0.593SS**  trans-89.191.9151.434.70000104.3A190 N194A190-T192 PolarHBondContact O-N 2.95Å; A190-T192 VanDerWaalsContact O-N 3.1Å; T192-N194 PolarHBondContact O-N 3.17Å; T192-N194 VanDerWaalsContact O-N 3.07Å
193P38.4Very low40.9Very low78 Ų78105.1 Ų105.151%0.50659%0.594SS.*  trans-54.6122.7167.723.8-31.7000106.3L191 R195 V198L191-P193 WeakPolarHBondContact O-CD 3.39Å; P193-R195 PolarHBondContact O-N 3.06Å; P193-V198 HydrophobicContact CB-CG2 3.93Å
194N34.6Very low41.1Very low97 Ų97103.3 Ų103.352%0.51959%0.588SS.*  trans-54.4107.8176-163.2-7.2000106.8T192 D196 L197 V198T192-N194 PolarHBondContact O-N 3.17Å; T192-N194 VanDerWaalsContact O-N 3.07Å; N194-D196 PolarHBondContact O-N 2.59Å; N194-L197 HydrophobicContact CB-CB 4.45Å; N194-L197 HydrophobicContact CB-CD1 4.08Å; N194-L197 HydrophobicContact CB-CG 4.33Å; N194-L197 PolarHBondContact O-N 3.41Å; N194-V198 PolarHBondContact O-N 3.22Å
195R35Very low41.2Very low211 Ų211101.4 Ų101.480%0.79658%0.584SS**Hα-helixtrans-55.2-27.4-173.5-84-176.1167.1174.5-3.5111.5P193 L197 V198P193-R195 PolarHBondContact O-N 3.06Å; R195-L197 VanDerWaalsContact C-N 3.3Å; R195-L197 PolarHBondContact O-N 3.28Å; R195-V198 PolarHBondContact O-N 3.33Å
196D42.3Very low41.5Very low133 Ų133101.3 Ų101.371%0.71159%0.585SS**Hα-helixtrans-68.5-25177.7-61.1-23.1000113.5N194N194-D196 PolarHBondContact O-N 2.59Å
197L41Very low42.2Very low108 Ų108103.4 Ų103.457%0.56559%0.586SS**Hα-helixtrans-91.3-14.7175.1-69.6172.2000113.2N194 R195 H199 S200N194-L197 HydrophobicContact CB-CB 4.45Å; N194-L197 HydrophobicContact CB-CD1 4.08Å; N194-L197 HydrophobicContact CB-CG 4.33Å; N194-L197 PolarHBondContact O-N 3.41Å; R195-L197 VanDerWaalsContact C-N 3.3Å; R195-L197 PolarHBondContact O-N 3.28Å; L197-H199 VanDerWaalsContact C-N 3.34Å; L197-S200 PolarHBondContact O-OG 3.1Å; L197-S200 VanDerWaalsContact O-OG 3.04Å
198V37.7Very low42.6Very low28 Ų28103 Ų10317%0.1758%0.577CS.*Hα-helixtrans-73-30.5-177.7178.30000111.1P193 N194 R195 S200 C201 E205P193-V198 HydrophobicContact CB-CG2 3.93Å; N194-V198 PolarHBondContact O-N 3.22Å; R195-V198 PolarHBondContact O-N 3.33Å; V198-S200 VanDerWaalsContact C-N 3.25Å; V198-S200 PolarHBondContact O-N 3.13Å; V198-C201 PolarHBondContact O-N 3.23Å; V198-E205 HydrophobicContact CG1-CB 3.84Å; V198-E205 HydrophobicContact CG1-CG 3.51Å; V198-E205 WeakPolarHBondContact CG1-OE1 3.25Å; V198-E205 VanDerWaalsContact CG1-OE2 3.23Å; V198-E205 WeakPolarHBondContact CG1-OE2 3.3Å
199H38.2Very low43.1Very low171 Ų171100.7 Ų100.779%0.79256%0.563SS**THydrogen-bonded Turntrans-64.7-25.3178.1-73.6-50.3000114.4L197L197-H199 VanDerWaalsContact C-N 3.34Å
200S43.6Very low43.6Very low90 Ų90100.4 Ų100.463%0.62956%0.557SS**THydrogen-bonded Turntrans-90.1-10.9-178.246.30000114L197 V198L197-S200 PolarHBondContact O-OG 3.1Å; L197-S200 VanDerWaalsContact O-OG 3.04Å; V198-S200 VanDerWaalsContact C-N 3.25Å; V198-S200 PolarHBondContact O-N 3.13Å
201C38.9Very low44.2Very low56 Ų56101 Ų10138%0.37855%0.549SS..  trans-136.467.2-175.8-77.40000111.9V198 S203 I204 E205V198-C201 PolarHBondContact O-N 3.23Å; C201-S203 PolarHBondContact O-N 3.28Å; C201-I204 HydrophobicContact CB-CB 4.04Å; C201-I204 HydrophobicContact CB-CD1 3.89Å; C201-I204 HydrophobicContact CB-CG1 4.08Å; C201-I204 PolarHBondContact O-N 2.92Å; C201-E205 PolarHBondContact O-N 3.42Å; C201-E205 VanDerWaalsContact O-N 3.17Å
202S48.5Very low44.9Very low89 Ų8997.4 Ų97.462%0.62253%0.532SS*.Hα-helixtrans-53.3-25.2176.256.80000114.4
203S48.7Very low45.7Very low90 Ų9095.5 Ų95.563%0.62952%0.523SS*.Hα-helixtrans-75.8-38.1175.2-169.70000113.2C201 E207C201-S203 PolarHBondContact O-N 3.28Å; S203-E207 PolarHBondContact O-N 3.47Å
204I49.8Very low46.2Very low89 Ų8998.2 Ų98.246%0.45653%0.53SS..Hα-helixtrans-74.8-34.9-178.8-63.2175.9000109.9C201 N206 E207 V208C201-I204 HydrophobicContact CB-CB 4.04Å; C201-I204 HydrophobicContact CB-CD1 3.89Å; C201-I204 HydrophobicContact CB-CG1 4.08Å; C201-I204 PolarHBondContact O-N 2.92Å; I204-N206 VanDerWaalsContact C-N 3.34Å; I204-N206 PolarHBondContact O-N 2.93Å; I204-E207 PolarHBondContact O-N 3.2Å; I204-V208 HydrophobicContact CG2-CG2 3.85Å; I204-V208 WeakPolarHBondContact O-CB 3.27Å; I204-V208 VanDerWaalsContact O-CG2 3.31Å; I204-V208 WeakPolarHBondContact O-CG2 3.4Å; I204-V208 PolarHBondContact O-N 2.72Å
205E47.5Very low46.8Very low91 Ų9197.2 Ų97.243%0.42553%0.527SS..Hα-helixtrans-57.9-46.3174.7-168.3178.2-169.900111.6V198 C201 E207 C209V198-E205 HydrophobicContact CG1-CB 3.84Å; V198-E205 HydrophobicContact CG1-CG 3.51Å; V198-E205 WeakPolarHBondContact CG1-OE1 3.25Å; V198-E205 VanDerWaalsContact CG1-OE2 3.23Å; V198-E205 WeakPolarHBondContact CG1-OE2 3.3Å; C201-E205 PolarHBondContact O-N 3.42Å; C201-E205 VanDerWaalsContact O-N 3.17Å; E205-E207 VanDerWaalsContact C-N 3.35Å; E205-E207 PolarHBondContact O-N 2.69Å; E205-C209 WeakPolarHBondContact O-CB 3.36Å; E205-C209 PolarHBondContact O-N 2.83Å; E205-C209 PolarHBondContact O-SG 3.2Å
206N50.3Low47.3Very low109 Ų10993.1 Ų93.158%0.58352%0.517SS*.Hα-helixtrans-63.6-39.5177.1-78.7-27.2000112.3I204 L210I204-N206 VanDerWaalsContact C-N 3.34Å; I204-N206 PolarHBondContact O-N 2.93Å; N206-L210 VanDerWaalsContact O-CB 3.26Å; N206-L210 WeakPolarHBondContact O-CB 3.17Å; N206-L210 WeakPolarHBondContact O-CD1 3.31Å; N206-L210 VanDerWaalsContact O-CG 3.25Å; N206-L210 WeakPolarHBondContact O-CG 3.48Å; N206-L210 PolarHBondContact O-N 2.79Å
207E52.4Low47.1Very low120 Ų12088.5 Ų88.556%0.56150%0.5SS*.Hα-helixtrans-70.7-43.4179.7-166.5175.7179.400112.2S203 I204 E205 L210 L211S203-E207 PolarHBondContact O-N 3.47Å; I204-E207 PolarHBondContact O-N 3.2Å; E205-E207 VanDerWaalsContact C-N 3.35Å; E205-E207 PolarHBondContact O-N 2.69Å; E207-L210 PolarHBondContact O-N 3Å; E207-L211 HydrophobicContact CG-CD1 4.38Å; E207-L211 WeakPolarHBondContact O-CB 3.29Å; E207-L211 PolarHBondContact O-N 2.73Å
208V52.1Low47.3Very low57 Ų5795 Ų9535%0.34552%0.517SS..Hα-helixtrans-66.8-42.9175174.50000110.6I204 L210 L211 V212I204-V208 HydrophobicContact CG2-CG2 3.85Å; I204-V208 WeakPolarHBondContact O-CB 3.27Å; I204-V208 VanDerWaalsContact O-CG2 3.31Å; I204-V208 WeakPolarHBondContact O-CG2 3.4Å; I204-V208 PolarHBondContact O-N 2.72Å; V208-L210 VanDerWaalsContact C-N 3.34Å; V208-L210 PolarHBondContact O-N 3.03Å; V208-L211 PolarHBondContact O-N 2.85Å; V208-V212 HydrophobicContact CG1-CG2 4.26Å; V208-V212 WeakPolarHBondContact O-CB 3.4Å; V208-V212 VanDerWaalsContact O-CG2 3.27Å; V208-V212 WeakPolarHBondContact O-CG2 3.26Å; V208-V212 PolarHBondContact O-N 2.99Å
209C53.4Low47.6Very low64 Ų64100.4 Ų100.443%0.43255%0.545SS..Hα-helixtrans-63.4-38.7174.8-78.40000111.9E205 S213E205-C209 WeakPolarHBondContact O-CB 3.36Å; E205-C209 PolarHBondContact O-N 2.83Å; E205-C209 PolarHBondContact O-SG 3.2Å; C209-S213 WeakPolarHBondContact O-CB 3.45Å; C209-S213 PolarHBondContact O-N 2.83Å; C209-S213 PolarHBondContact O-OG 2.89Å
210L52.7Low47.8Very low107 Ų10798.1 Ų98.156%0.5653%0.533SS*.Hα-helixtrans-64-44.7173.1-84.3165.7000111.5N206 E207 V208 S213 Q214N206-L210 VanDerWaalsContact O-CB 3.26Å; N206-L210 WeakPolarHBondContact O-CB 3.17Å; N206-L210 WeakPolarHBondContact O-CD1 3.31Å; N206-L210 VanDerWaalsContact O-CG 3.25Å; N206-L210 WeakPolarHBondContact O-CG 3.48Å; N206-L210 PolarHBondContact O-N 2.79Å; E207-L210 PolarHBondContact O-N 3Å; V208-L210 VanDerWaalsContact C-N 3.34Å; V208-L210 PolarHBondContact O-N 3.03Å; L210-S213 CarbonylContact O-C 3.58Å; L210-S213 PolarHBondContact O-N 2.83Å; L210-Q214 WeakPolarHBondContact O-CB 3.28Å; L210-Q214 VanDerWaalsContact O-CG 3.31Å; L210-Q214 WeakPolarHBondContact O-CG 3.37Å; L210-Q214 PolarHBondContact O-N 3.47Å
211L52.1Low47.7Very low89 Ų8999 Ų9947%0.46653%0.53SS..Hα-helixtrans-63.9-45.2176.6-85.5157.8000111.9E207 V208 S213 Q214 V215E207-L211 HydrophobicContact CG-CD1 4.38Å; E207-L211 WeakPolarHBondContact O-CB 3.29Å; E207-L211 PolarHBondContact O-N 2.73Å; V208-L211 PolarHBondContact O-N 2.85Å; L211-S213 VanDerWaalsContact C-N 3.3Å; L211-S213 PolarHBondContact O-N 3.44Å; L211-Q214 PolarHBondContact O-N 2.78Å; L211-V215 WeakPolarHBondContact O-CB 3.33Å; L211-V215 VanDerWaalsContact O-CG2 3.25Å; L211-V215 WeakPolarHBondContact O-CG2 3.47Å; L211-V215 PolarHBondContact O-N 3.48Å
212V52.9Low47.9Very low55 Ų5599 Ų9933%0.33353%0.528SS..Hα-helixtrans-62.3-40174.4172.20000110.3V208 V215 Q216V208-V212 HydrophobicContact CG1-CG2 4.26Å; V208-V212 WeakPolarHBondContact O-CB 3.4Å; V208-V212 VanDerWaalsContact O-CG2 3.27Å; V208-V212 WeakPolarHBondContact O-CG2 3.26Å; V208-V212 PolarHBondContact O-N 2.99Å; V212-V215 PolarHBondContact O-N 3.29Å; V212-Q216 HydrophobicContact CG1-CG 4.33Å; V212-Q216 VanDerWaalsContact O-CB 3.32Å; V212-Q216 WeakPolarHBondContact O-CB 3.33Å; V212-Q216 VanDerWaalsContact O-CG 3.26Å; V212-Q216 WeakPolarHBondContact O-CG 3.26Å; V212-Q216 PolarHBondContact O-N 2.78Å
213S49.2Very low47.8Very low73 Ų73100 Ų10051%0.5154%0.535SS..Hα-helixtrans-67.4-34.6175.5-59.60000112.6C209 L210 L211 G217C209-S213 WeakPolarHBondContact O-CB 3.45Å; C209-S213 PolarHBondContact O-N 2.83Å; C209-S213 PolarHBondContact O-OG 2.89Å; L210-S213 CarbonylContact O-C 3.58Å; L210-S213 PolarHBondContact O-N 2.83Å; L211-S213 VanDerWaalsContact C-N 3.3Å; L211-S213 PolarHBondContact O-N 3.44Å; S213-G217 PolarHBondContact O-N 2.68Å
214Q49.5Very low47.6Very low136 Ų136100 Ų10064%0.63654%0.54SS*.Hα-helixtrans-69.6-40.4173.7-77.8177.9600111.6L210 L211 G217L210-Q214 WeakPolarHBondContact O-CB 3.28Å; L210-Q214 VanDerWaalsContact O-CG 3.31Å; L210-Q214 WeakPolarHBondContact O-CG 3.37Å; L210-Q214 PolarHBondContact O-N 3.47Å; L211-Q214 PolarHBondContact O-N 2.78Å; Q214-G217 WeakPolarHBondContact O-CA 3.35Å; Q214-G217 PolarHBondContact O-N 2.82Å; Q214-G217 VanDerWaalsContact O-N 3.16Å
215V47.6Very low47.3Very low76 Ų76101.7 Ų101.746%0.46155%0.546SS..Hα-helixtrans-72.4-34.9176.7177.60000110.9L211 V212 G217 F220L211-V215 WeakPolarHBondContact O-CB 3.33Å; L211-V215 VanDerWaalsContact O-CG2 3.25Å; L211-V215 WeakPolarHBondContact O-CG2 3.47Å; L211-V215 PolarHBondContact O-N 3.48Å; V212-V215 PolarHBondContact O-N 3.29Å; V215-G217 PolarHBondContact O-N 2.99Å; V215-F220 HydrophobicContact CG1-CB 4.4Å; V215-F220 HydrophobicContact CG1-CD2 4.12Å; V215-F220 HydrophobicContact CG1-CG 4.13Å; V215-F220 VanDerWaalsContact O-CB 3.28Å; V215-F220 WeakPolarHBondContact O-CB 3.35Å; V215-F220 WeakPolarHBondContact O-CD2 3.47Å; V215-F220 WeakPolarHBondContact O-CG 3.49Å
216Q44.9Very low46.7Very low125 Ų125104.8 Ų104.858%0.58456%0.555SS**SBendtrans-74.9-10.8169.9-69.4179.26.100112.8V212 R218V212-Q216 HydrophobicContact CG1-CG 4.33Å; V212-Q216 VanDerWaalsContact O-CB 3.32Å; V212-Q216 WeakPolarHBondContact O-CB 3.33Å; V212-Q216 VanDerWaalsContact O-CG 3.26Å; V212-Q216 WeakPolarHBondContact O-CG 3.26Å; V212-Q216 PolarHBondContact O-N 2.78Å; Q216-R218 PolarHBondContact O-N 3.13Å
217G37.5Very low46Very low35 Ų35103 Ų10336%0.36156%0.556SS.*SBendtrans-69.796.817600000111.6S213 Q214 V215 D219S213-G217 PolarHBondContact O-N 2.68Å; Q214-G217 WeakPolarHBondContact O-CA 3.35Å; Q214-G217 PolarHBondContact O-N 2.82Å; Q214-G217 VanDerWaalsContact O-N 3.16Å; V215-G217 PolarHBondContact O-N 2.99Å; G217-D219 PolarHBondContact O-N 3.2Å
218R46.4Very low45.4Very low246 Ų246102.5 Ų102.593%0.92856%0.562SS**SBendtrans55.3-28.4164.2-70-173178.5177.40.5120.1Q216Q216-R218 PolarHBondContact O-N 3.13Å
219D43.8Very low44.6Very low141 Ų141108.2 Ų108.275%0.75458%0.583SS**SBendtrans-102.3-2.7-171.1-67.4-18.1000114G217G217-D219 PolarHBondContact O-N 3.2Å
220F42.6Very low43.6Very low123 Ų123110.9 Ų110.954%0.53960%0.601SS.*  trans-126.8125.9-178.9-57.2-91.7000112.5V215V215-F220 HydrophobicContact CG1-CB 4.4Å; V215-F220 HydrophobicContact CG1-CD2 4.12Å; V215-F220 HydrophobicContact CG1-CG 4.13Å; V215-F220 VanDerWaalsContact O-CB 3.28Å; V215-F220 WeakPolarHBondContact O-CB 3.35Å; V215-F220 WeakPolarHBondContact O-CD2 3.47Å; V215-F220 WeakPolarHBondContact O-CG 3.49Å
221I40.3Very low42.7Very low108 Ų108115.1 Ų115.155%0.55461%0.611SS**  trans-81.9116.3176.7-63.1176.8000107.9Q225 Y226I221-Q225 HydrophobicContact CB-CB 4.48Å; I221-Q225 HydrophobicContact CG2-CB 3.49Å; I221-Q225 VanDerWaalsContact CG2-CB 3.49Å; I221-Y226 HydrophobicContact CG2-CD2 3.95Å; I221-Y226 HydrophobicContact CG2-CE2 3.87Å
222T43.2Very low41.7Very low56 Ų56118.4 Ų118.434%0.34463%0.627SS.*  trans-73.7160.2171.958.40000110.5A224 Q225 Y226T222-A224 PolarHBondContact O-N 3.09Å; T222-Q225 WeakPolarHBondContact O-CB 3.23Å; T222-Q225 PolarHBondContact O-N 3.18Å; T222-Y226 WeakPolarHBondContact O-CD2 3.45Å
223S46.6Very low40.5Very low109 Ų109124.3 Ų124.376%0.76265%0.648SS**G310 helixtrans-51-30.8175.853.30000113.4Q225 Y226S223-Q225 VanDerWaalsContact C-N 3.32Å; S223-Q225 PolarHBondContact O-N 2.75Å; S223-Y226 PolarHBondContact O-N 2.7Å
224A45.8Very low39.8Very low90 Ų90126.5 Ų126.574%0.74466%0.664SS**G310 helixtrans-70.2-22176.100000114.4T222T222-A224 PolarHBondContact O-N 3.09Å
225Q43Very low39.1Very low126 Ų126127 Ų12759%0.58967%0.67SS**G310 helixtrans-90.2-9.4176.6-69.6178.111.300112.9I221 T222 S223 A227I221-Q225 HydrophobicContact CB-CB 4.48Å; I221-Q225 HydrophobicContact CG2-CB 3.49Å; I221-Q225 VanDerWaalsContact CG2-CB 3.49Å; T222-Q225 WeakPolarHBondContact O-CB 3.23Å; T222-Q225 PolarHBondContact O-N 3.18Å; S223-Q225 VanDerWaalsContact C-N 3.32Å; S223-Q225 PolarHBondContact O-N 2.75Å; Q225-A227 PolarHBondContact O-N 3.2Å
226Y34.2Very low38.2Very low156 Ų156130.2 Ų130.261%0.61269%0.685SS**SBendtrans-67.3118.5165.7-75.5-95.8000107.8I221 T222 S223 P228I221-Y226 HydrophobicContact CG2-CD2 3.95Å; I221-Y226 HydrophobicContact CG2-CE2 3.87Å; T222-Y226 WeakPolarHBondContact O-CD2 3.45Å; S223-Y226 PolarHBondContact O-N 2.7Å; Y226-P228 WeakPolarHBondContact O-CD 3.24Å; Y226-P228 VanDerWaalsContact O-N 3.17Å
227A35.2Very low37.6Very low72 Ų72135.3 Ų135.360%0.59570%0.7SS**  trans-53.5126.1166.500000107.3Q225 K229Q225-A227 PolarHBondContact O-N 3.2Å; A227-K229 PolarHBondContact O-N 2.87Å
228P41.8Very low37.2Very low108 Ų108137 Ų13770%0.70171%0.71SS**  trans-71.174.7-177.628.4-33.8000109Y226 Y231Y226-P228 WeakPolarHBondContact O-CD 3.24Å; Y226-P228 VanDerWaalsContact O-N 3.17Å; P228-Y231 HydrophobicContact CB-CD2 4.16Å; P228-Y231 HydrophobicContact CB-CE2 3.84Å
229K35Very low36.6Very low177 Ų177130.6 Ų130.677%0.7770%0.701SS**  trans-100.2121.4168.4-71.3-173.1178.6-179.70106.1A227A227-K229 PolarHBondContact O-N 2.87Å
230C31.8Very low36Very low121 Ų121129 Ų12982%0.81870%0.701SS**  trans81.944.4172.4-37.90000115.8I232C230-I232 VanDerWaalsContact C-N 3.29Å; C230-I232 PolarHBondContact O-N 2.77Å; C230-I232 VanDerWaalsContact O-N 3.08Å
231Y34.6Very low35.4Very low196 Ų196130.1 Ų130.177%0.76971%0.711SS**  trans-63.4108138.2-69.4-77.5000105.3P228 K233P228-Y231 HydrophobicContact CB-CD2 4.16Å; P228-Y231 HydrophobicContact CB-CE2 3.84Å; Y231-K233 PolarHBondContact O-N 3.47Å
232I30.1Very low34.9Very low158 Ų158136.5 Ų136.581%0.8173%0.728SS**  trans-42.4113.8156.2-65.2166.4000103.8C230 S234C230-I232 VanDerWaalsContact C-N 3.29Å; C230-I232 PolarHBondContact O-N 2.77Å; C230-I232 VanDerWaalsContact O-N 3.08Å; I232-S234 PolarHBondContact O-N 3.26Å
233K27.7Very low34.2Very low178 Ų178139 Ų13977%0.77474%0.743SS**  trans-45.5127.1175-79.7-179.3175.9179.90105.4Y231 L235Y231-K233 PolarHBondContact O-N 3.47Å; K233-L235 PolarHBondContact O-N 3.36Å
234S34.6Very low33.5Very low120 Ų120138.5 Ų138.584%0.83974%0.74SS**  trans-57.781169.2-35.10000106.3I232 D236I232-S234 PolarHBondContact O-N 3.26Å; S234-D236 PolarHBondContact O-N 2.83Å
235L34.3Very low32.9Very low147 Ų147143.5 Ų143.577%0.7775%0.745SS**  trans-77.391.9179.3-133.5148.3000102.5K233 Y237K233-L235 PolarHBondContact O-N 3.36Å; L235-Y237 PolarHBondContact O-N 2.96Å
236D29.2Very low32.4Very low143 Ų143144.2 Ų144.277%0.76575%0.753SS**  trans12.675.9164.4-61.5-46.2000113.7S234 A238S234-D236 PolarHBondContact O-N 2.83Å; D236-A238 PolarHBondContact O-N 3.37Å
237Y32.8Very low32.5Very low231 Ų231145.8 Ų145.891%0.90677%0.766SS**  trans-73.862.2153.6-124.9-90.4000106.5L235L235-Y237 PolarHBondContact O-N 2.96Å
238A29.1Very low32.6Very low70 Ų70150.1 Ų150.158%0.57978%0.777SS**  trans-56.3123.5153.700000104.6D236 S240D236-A238 PolarHBondContact O-N 3.37Å; A238-S240 VanDerWaalsContact C-N 3.32Å; A238-S240 PolarHBondContact O-N 3.5Å
239P33.2Very low32.3Very low112 Ų112148.1 Ų148.173%0.72778%0.777SS**  trans-60101.9-178.424-31.9000106.8I241P239-I241 PolarHBondContact O-N 2.86Å
240S30.2Very low32.3Very low107 Ų107147.4 Ų147.475%0.74878%0.781SS**  trans-61.5107.2177.5-174.10000106.2A238 R242A238-S240 VanDerWaalsContact C-N 3.32Å; A238-S240 PolarHBondContact O-N 3.5Å; S240-R242 PolarHBondContact O-N 3.46Å
241I30.7Very low32.9Very low147 Ų147146.8 Ų146.875%0.75478%0.776SS**  trans-46.7128.3170.2-66.3166.9000106.3P239 T243P239-I241 PolarHBondContact O-N 2.86Å; I241-T243 VanDerWaalsContact C-N 3.33Å; I241-T243 PolarHBondContact O-N 3.07Å
242R31.1Very low33.2Very low243 Ų243142.2 Ų142.292%0.91777%0.77SS**  trans-42.392.9174.4-64.9-179.9177.2-155-0.9111S240 S244S240-R242 PolarHBondContact O-N 3.46Å; R242-S244 PolarHBondContact O-N 3.22Å
243T28Very low34Very low107 Ų107143.8 Ų143.866%0.65677%0.771SS**  trans-84.7106.8155.838.20000105.8I241 F245I241-T243 VanDerWaalsContact C-N 3.33Å; I241-T243 PolarHBondContact O-N 3.07Å; T243-F245 PolarHBondContact O-N 3.04Å
244S31.5Very low35Very low100 Ų100139.4 Ų139.470%0.69976%0.761SS**  trans-41.9113.1162.541.10000108.7R242 N246R242-S244 PolarHBondContact O-N 3.22Å; S244-N246 PolarHBondContact O-N 3.21Å
245F33.7Very low35.3Very low195 Ų195137.3 Ų137.386%0.85574%0.744SS**  trans-65.876.9167.4-85.2-94.2000108.6T243T243-F245 PolarHBondContact O-N 3.04Å
246N31.4Very low35.6Very low140 Ų140135.9 Ų135.975%0.74974%0.738SS**  trans-113.4124.7149.4-80.2-19.5000105S244S244-N246 PolarHBondContact O-N 3.21Å
247E36.7Very low36.3Very low190 Ų190134.3 Ų134.389%0.88872%0.724SS**  trans71.668.9169.5-59-173.1143.500118
248I37.8Very low36.8Very low162 Ų162131.5 Ų131.583%0.83172%0.719SS**SBendtrans-129.1129.2132.1-57.2177.4000106.1
249G34.7Very low37.7Very low67 Ų67134.4 Ų134.469%0.69173%0.725SS**  trans-35138.5-158.300000116.7P251G249-P251 WeakPolarHBondContact O-CD 3.25Å
250N34.7Very low37.9Very low161 Ų161134.9 Ų134.986%0.86172%0.722SS**  trans-34114.6170.8-72.9-46.9000110.6
251P44Very low38.4Very low108 Ų108138 Ų13870%0.70173%0.729SS**PPolyproline II helixtrans-55.7141.4166.323.5-31.4000107.4G249 K253G249-P251 WeakPolarHBondContact O-CD 3.25Å; P251-K253 PolarHBondContact O-N 3.1Å
252P41.9Very low39Very low101 Ų101136 Ų13666%0.65672%0.724SS**PPolyproline II helixtrans-53.3121.4-179.520.6-30.5000108.1P254P252-P254 VanDerWaalsContact O-N 3.15Å
253K47.9Very low39.9Very low191 Ų191126.1 Ų126.183%0.8369%0.694SS**PPolyproline II helixtrans-49.3124.4179.9-165.2176.4-175.3179.60107.2P251P251-K253 PolarHBondContact O-N 3.1Å
254P47.6Very low41.6Very low85 Ų85124.5 Ų124.555%0.55268%0.684SS**PPolyproline II helixtrans-55143.1175.522.2-31.1000108.2P252 N256P252-P254 VanDerWaalsContact O-N 3.15Å; P254-N256 PolarHBondContact O-N 3.33Å
255P40.6Very low43.2Very low76 Ų76125.6 Ų125.649%0.49469%0.686SS.*PPolyproline II helixtrans-49.5137.9171.8-21.529.4000109F257P255-F257 HydrophobicContact CB-CD1 4.34Å; P255-F257 HydrophobicContact CB-CD2 4.31Å; P255-F257 HydrophobicContact CB-CE1 3.91Å; P255-F257 HydrophobicContact CB-CE2 3.91Å; P255-F257 HydrophobicContact CB-CZ 3.71Å; P255-F257 HydrophobicContact CG-CE1 4.18Å; P255-F257 HydrophobicContact CG-CE2 3.89Å; P255-F257 HydrophobicContact CG-CZ 3.58Å; P255-F257 WeakPolarHBondContact O-CD2 3.26Å; P255-F257 PolarHBondContact O-N 3.3Å
256N40.2Very low44.8Very low118 Ų118120.1 Ų120.163%0.63167%0.672SS**  trans-68.887.2176.2-151.624.8000107.5P254 E258P254-N256 PolarHBondContact O-N 3.33Å; N256-E258 PolarHBondContact O-N 3.39Å; N256-E258 VanDerWaalsContact O-N 3.15Å
257F44.1Very low46.5Very low110 Ų110118.5 Ų118.548%0.48266%0.66SS.*THydrogen-bonded Turntrans-73.73.2-175.6-70.4-67.8000113.2P255 A263P255-F257 HydrophobicContact CB-CD1 4.34Å; P255-F257 HydrophobicContact CB-CD2 4.31Å; P255-F257 HydrophobicContact CB-CE1 3.91Å; P255-F257 HydrophobicContact CB-CE2 3.91Å; P255-F257 HydrophobicContact CB-CZ 3.71Å; P255-F257 HydrophobicContact CG-CE1 4.18Å; P255-F257 HydrophobicContact CG-CE2 3.89Å; P255-F257 HydrophobicContact CG-CZ 3.58Å; P255-F257 WeakPolarHBondContact O-CD2 3.26Å; P255-F257 PolarHBondContact O-N 3.3Å; F257-A263 HydrophobicContact CD1-CB 3.91Å; F257-A263 HydrophobicContact CE1-CB 3.43Å; F257-A263 VanDerWaalsContact CE1-CB 3.43Å; F257-A263 HydrophobicContact CZ-CB 4.35Å
258E44.6Very low48Very low172 Ų172112.6 Ų112.680%0.80464%0.637SS**THydrogen-bonded Turntrans-74.3-25.4175.3-68.2-165.5156.800113.1N256N256-E258 PolarHBondContact O-N 3.39Å; N256-E258 VanDerWaalsContact O-N 3.15Å
259D46.3Very low49.6Very low131 Ų131113.4 Ų113.470%0.70163%0.63SS**SBendtrans-103.10.6-175-69-31.8000115.2
260N37.4Very low51.4Low122 Ų122115.8 Ų115.865%0.65263%0.625SS**  trans-157.1101166.3-90.7-44.7000110.4T262N260-T262 PolarHBondContact O-N 2.95Å
261L42.5Very low53.2Low173 Ų173114.6 Ų114.691%0.90661%0.609SS**SBendtrans-65.426.1173.4-97.1159.3000114.3
262T42.6Very low54.7Low104 Ų104113.2 Ų113.264%0.63860%0.595SS**  trans-130.449.8-177.738.30000110.5N260 T264N260-T262 PolarHBondContact O-N 2.95Å; T262-T264 PolarHBondContact O-N 2.78Å; T262-T264 VanDerWaalsContact O-N 3.1Å
263A50.4Low56.1Low36 Ų36112.5 Ų112.530%0.29859%0.585SS.*  trans-61.9112.2157.400000107.2F257 E267 V268F257-A263 HydrophobicContact CD1-CB 3.91Å; F257-A263 HydrophobicContact CE1-CB 3.43Å; F257-A263 VanDerWaalsContact CE1-CB 3.43Å; F257-A263 HydrophobicContact CZ-CB 4.35Å; A263-E267 VanDerWaalsContact CA-OE2 3.25Å; A263-E267 WeakPolarHBondContact CA-OE2 3.3Å; A263-V268 HydrophobicContact CB-CG2 4.4Å
264T62.7Low57.4Low73 Ų73109.2 Ų109.245%0.44857%0.571SS.*  trans-67.8150.5179.461.10000109.1T262 S266 E267 V268T262-T264 PolarHBondContact O-N 2.78Å; T262-T264 VanDerWaalsContact O-N 3.1Å; T264-S266 PolarHBondContact O-N 2.85Å; T264-E267 PolarHBondContact N-OE2 2.77Å; T264-E267 PolarHBondContact O-N 3.45Å; T264-V268 PolarHBondContact O-N 3.01Å
265V64.6Low58.6Low123 Ų123109 Ų10975%0.74556%0.564SS**Hα-helixtrans-50.4-31.5175.4175.90000111.2R269V265-R269 WeakPolarHBondContact O-CB 3.45Å; V265-R269 PolarHBondContact O-N 3.46Å; V265-R269 VanDerWaalsContact O-N 3.11Å
266S67.5Low60.1Low80 Ų80110.2 Ų110.256%0.55957%0.566SS**Hα-helixtrans-61.6-42.2174.2-560000113.7T264 R269 I270T264-S266 PolarHBondContact O-N 2.85Å; S266-R269 PolarHBondContact O-N 3.27Å; S266-I270 VanDerWaalsContact O-CG1 3.3Å; S266-I270 WeakPolarHBondContact O-CG1 3.41Å; S266-I270 PolarHBondContact O-N 3.45Å
267E67.1Low61.3Low106 Ų106111 Ų11150%0.49557%0.569SS.*Hα-helixtrans-69.8-40.8-178.4-71167.7158.900111.8A263 T264 R269 I270 W271A263-E267 VanDerWaalsContact CA-OE2 3.25Å; A263-E267 WeakPolarHBondContact CA-OE2 3.3Å; T264-E267 PolarHBondContact N-OE2 2.77Å; T264-E267 PolarHBondContact O-N 3.45Å; E267-R269 VanDerWaalsContact C-N 3.29Å; E267-R269 PolarHBondContact O-N 3.22Å; E267-I270 PolarHBondContact O-N 3.34Å; E267-W271 PolarHBondContact O-N 3Å
268V69.4Low62.3Low66 Ų66112.1 Ų112.140%0.458%0.581SS.*Hα-helixtrans-62.5-39.9173.5-179.80000110.5A263 T264 W271 I272A263-V268 HydrophobicContact CB-CG2 4.4Å; T264-V268 PolarHBondContact O-N 3.01Å; V268-W271 PolarHBondContact O-N 3.33Å; V268-I272 HydrophobicContact CG1-CD1 3.94Å; V268-I272 HydrophobicContact CG1-CG1 4.5Å; V268-I272 WeakPolarHBondContact O-CG1 3.02Å; V268-I272 PolarHBondContact O-N 2.83Å
269R69.9Low63Low179 Ų179111.3 Ų111.368%0.67559%0.594SS**Hα-helixtrans-66.8-41.2179-138.7175.5-167.4-175.33.2112.6V265 S266 E267 W271 I272 N273V265-R269 WeakPolarHBondContact O-CB 3.45Å; V265-R269 PolarHBondContact O-N 3.46Å; V265-R269 VanDerWaalsContact O-N 3.11Å; S266-R269 PolarHBondContact O-N 3.27Å; E267-R269 VanDerWaalsContact C-N 3.29Å; E267-R269 PolarHBondContact O-N 3.22Å; R269-W271 VanDerWaalsContact C-N 3.31Å; R269-I272 PolarHBondContact O-N 2.97Å; R269-N273 WeakPolarHBondContact O-CB 3.37Å; R269-N273 VanDerWaalsContact O-CG 3.29Å; R269-N273 PolarHBondContact O-N 3.12Å
270I74.1Confident63.8Low116 Ų116110.3 Ų110.360%0.59559%0.589SS**Hα-helixtrans-62.3-41.8175-68.9164.6000110.3S266 E267 N273 K274S266-I270 VanDerWaalsContact O-CG1 3.3Å; S266-I270 WeakPolarHBondContact O-CG1 3.41Å; S266-I270 PolarHBondContact O-N 3.45Å; E267-I270 PolarHBondContact O-N 3.34Å; I270-N273 PolarHBondContact O-N 2.85Å; I270-K274 WeakPolarHBondContact O-CB 3.33Å; I270-K274 PolarHBondContact O-N 3.19Å
271W72.4Confident65.2Low137 Ų137109.7 Ų109.752%0.51959%0.585SS.*Hα-helixtrans-65.7-44.4178.7-174.777.6000112.6E267 V268 R269 K274 I275E267-W271 PolarHBondContact O-N 3Å; V268-W271 PolarHBondContact O-N 3.33Å; R269-W271 VanDerWaalsContact C-N 3.31Å; W271-K274 PolarHBondContact O-N 2.77Å; W271-I275 HydrophobicContact CD2-CD1 3.79Å; W271-I275 HydrophobicContact CE3-CD1 3.71Å; W271-I275 HydrophobicContact CH2-CD1 3.48Å; W271-I275 VanDerWaalsContact CH2-CD1 3.48Å; W271-I275 HydrophobicContact CZ2-CD1 3.56Å; W271-I275 HydrophobicContact CZ3-CD1 3.55Å; W271-I275 WeakPolarHBondContact O-CG1 3.39Å; W271-I275 PolarHBondContact O-N 3.25Å
272I75Confident66.4Low79 Ų79106.2 Ų106.241%0.40557%0.567SS.*Hα-helixtrans-61.7-44.9175.6-68.6169.9000111V268 R269 K274 I275 I276V268-I272 HydrophobicContact CG1-CD1 3.94Å; V268-I272 HydrophobicContact CG1-CG1 4.5Å; V268-I272 WeakPolarHBondContact O-CG1 3.02Å; V268-I272 PolarHBondContact O-N 2.83Å; R269-I272 PolarHBondContact O-N 2.97Å; I272-K274 VanDerWaalsContact C-N 3.29Å; I272-K274 PolarHBondContact O-N 3.3Å; I272-I275 PolarHBondContact O-N 3.16Å; I272-I276 HydrophobicContact CG2-CD1 3.87Å; I272-I276 WeakPolarHBondContact O-CG1 3.42Å; I272-I276 PolarHBondContact O-N 3.21Å; I272-I276 VanDerWaalsContact O-N 3.12Å
273N71.9Confident67.8Low86 Ų86106.3 Ų106.346%0.4656%0.563SS.*Hα-helixtrans-62.7-37.5178.9-72.7-10.1000111.9R269 I270 I275 I276 D277R269-N273 WeakPolarHBondContact O-CB 3.37Å; R269-N273 VanDerWaalsContact O-CG 3.29Å; R269-N273 PolarHBondContact O-N 3.12Å; I270-N273 PolarHBondContact O-N 2.85Å; N273-I275 VanDerWaalsContact C-N 3.33Å; N273-I275 PolarHBondContact O-N 3.2Å; N273-I276 PolarHBondContact O-N 2.93Å; N273-D277 PolarHBondContact O-N 2.9Å
274K74Confident68.9Low122 Ų122110.7 Ų110.753%0.5358%0.58SS.*Hα-helixtrans-64.1-36.8176.5-164.7177-179.3-178.30112.7I270 W271 I272 I276 D278I270-K274 WeakPolarHBondContact O-CB 3.33Å; I270-K274 PolarHBondContact O-N 3.19Å; W271-K274 PolarHBondContact O-N 2.77Å; I272-K274 VanDerWaalsContact C-N 3.29Å; I272-K274 PolarHBondContact O-N 3.3Å; K274-I276 VanDerWaalsContact C-N 3.32Å; K274-D278 WeakPolarHBondContact O-CB 3.35Å; K274-D278 PolarHBondContact O-N 3.37Å; K274-D278 VanDerWaalsContact O-N 3.17Å
275I73.1Confident69.3Low80 Ų80113.2 Ų113.241%0.4159%0.589SS.*Hα-helixtrans-66.5-36.9174.6-66.4168.4000111.3W271 I272 N273 S279W271-I275 HydrophobicContact CD2-CD1 3.79Å; W271-I275 HydrophobicContact CE3-CD1 3.71Å; W271-I275 HydrophobicContact CH2-CD1 3.48Å; W271-I275 VanDerWaalsContact CH2-CD1 3.48Å; W271-I275 HydrophobicContact CZ2-CD1 3.56Å; W271-I275 HydrophobicContact CZ3-CD1 3.55Å; W271-I275 WeakPolarHBondContact O-CG1 3.39Å; W271-I275 PolarHBondContact O-N 3.25Å; I272-I275 PolarHBondContact O-N 3.16Å; N273-I275 VanDerWaalsContact C-N 3.33Å; N273-I275 PolarHBondContact O-N 3.2Å; I275-S279 PolarHBondContact O-OG 2.97Å
276I71.5Confident69.7Low102 Ų102112.5 Ų112.552%0.52358%0.577SS.*Hα-helixtrans-71.5-41.4179-65168.6000111I272 N273 K274 S279I272-I276 HydrophobicContact CG2-CD1 3.87Å; I272-I276 WeakPolarHBondContact O-CG1 3.42Å; I272-I276 PolarHBondContact O-N 3.21Å; I272-I276 VanDerWaalsContact O-N 3.12Å; N273-I276 PolarHBondContact O-N 2.93Å; K274-I276 VanDerWaalsContact C-N 3.32Å; I276-S279 PolarHBondContact O-N 3.05Å
277D66.2Low69.9Low133 Ų133115 Ų11571%0.71158%0.579SS**Hα-helixtrans-72.4-27.4-179.1-71.7-21.9000113.3N273 S279N273-D277 PolarHBondContact O-N 2.9Å; D277-S279 VanDerWaalsContact C-N 3.3Å
278D66Low70.1Confident134 Ų134115.8 Ų115.872%0.71759%0.586SS**THydrogen-bonded Turntrans-83.80.7176.6-73.6-21.4000113.2K274K274-D278 WeakPolarHBondContact O-CB 3.35Å; K274-D278 PolarHBondContact O-N 3.37Å; K274-D278 VanDerWaalsContact O-N 3.17Å
279S57.6Low70.1Confident155 Ų155120.3 Ų120.3100%1.08460%0.603SS**  trans-104.70178.7-61.90000113I275 I276 D277I275-S279 PolarHBondContact O-OG 2.97Å; I276-S279 PolarHBondContact O-N 3.05Å; D277-S279 VanDerWaalsContact C-N 3.3Å

Retrieved 279 of 279 residues in 70.4 ms (Link to these results)