A0A096N3A8_PAPAN Loading...

Sperm microtubule inner protein 2

AlphaFold DB , UniProt , Accession A0A096N3A8, Species PAPAN (Papio anubis, Olive baboon), Gene SPMIP2, Length 186 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
1M32.6Very low43.2Very low243 Ų243140.7 Ų140.7100%1.19778%0.779SS**  0920-70-77.1179.300107.2S3M1-S3 PolarHBondContact O-N 3.39Å
2A35Very low43.9Very low103 Ų103141.5 Ų141.585%0.85179%0.791SS**  trans-85.5101.6175.300000107.8V4A2-V4 PolarHBondContact O-N 3.41Å
3S33.7Very low44.2Very low110 Ų110140.3 Ų140.377%0.76979%0.789SS**  trans-78.3106.8173.752.20000109M1 T5M1-S3 PolarHBondContact O-N 3.39Å; S3-T5 PolarHBondContact O-N 3.21Å
4V47.3Very low44.3Very low140 Ų140138.2 Ų138.285%0.84878%0.781SS**  trans-70.4119.2171.6-175.50000107.9A2 Y6A2-V4 PolarHBondContact O-N 3.41Å; V4-Y6 PolarHBondContact O-N 2.78Å
5T41Very low44.3Very low115 Ų115133.5 Ų133.571%0.70678%0.775SS**  trans-68.3124.2178.7440000109.9S3 Q7S3-T5 PolarHBondContact O-N 3.21Å; T5-Q7 PolarHBondContact O-N 2.92Å
6Y45.2Very low44.9Very low192 Ų192132.7 Ų132.775%0.75376%0.759SS**  trans-69.3103.4179.3-149.3-87.4000109V4 K16V4-Y6 PolarHBondContact O-N 2.78Å; Y6-K16 PolarHBondContact OH-NZ 3.35Å
7Q46.8Very low45.5Very low170 Ų170135.5 Ų135.579%0.79476%0.764SS**PPolyproline II helixtrans-75.7127.7172.5-67.8-150.94.900110T5T5-Q7 PolarHBondContact O-N 2.92Å
8K45.3Very low46.2Very low191 Ų191135.2 Ų135.283%0.8376%0.758SS**PPolyproline II helixtrans-69.2131.1175.2-104.4179.41781760109.3
9P48.2Very low47.3Very low76 Ų76135.1 Ų135.149%0.49475%0.754SS.*PPolyproline II helixtrans-66.7138.6178.826.9-32.4000110.6
10T52.1Low48.4Very low152 Ų152131.6 Ų131.693%0.93373%0.73SS**SBendtrans-83-7.9-177.145.10000113.8
11S47.5Very low49.7Very low56 Ų56129.8 Ų129.839%0.39272%0.723SS.*  trans-157.6147.2-178.8171.50000112.3T13S11-T13 VanDerWaalsContact C-N 3.32Å; S11-T13 PolarHBondContact OG-N 3.46Å
12T52.4Low51.8Low150 Ų150118.6 Ų118.692%0.9267%0.669SS**SBendtrans-77.2-13.5175.746.10000113.9
13T47.2Very low53.6Low126 Ų126118.1 Ų118.177%0.77366%0.658SS**SBendtrans-99.9-13.9-170.3-50.80000113.3S11S11-T13 VanDerWaalsContact C-N 3.32Å; S11-T13 PolarHBondContact OG-N 3.46Å
14V45.8Very low55.6Low111 Ų111118.9 Ų118.967%0.67365%0.653SS**SBendtrans-110.2113.6180-1740000108.4K16V14-K16 PolarHBondContact O-N 3.47Å
15G44.2Very low56.1Low67 Ų67120.7 Ų120.769%0.69165%0.646SS**  trans-56137.5174.800000110.6Q17G15-Q17 PolarHBondContact O-N 3.2Å
16K53.8Low57.8Low121 Ų121120.9 Ų120.953%0.52664%0.642SS.*  trans-52.3125.9176.8-69.1175.6178.6176.30109.2Y6 V14 M18Y6-K16 PolarHBondContact OH-NZ 3.35Å; V14-K16 PolarHBondContact O-N 3.47Å; K16-M18 VanDerWaalsContact C-N 3.33Å; K16-M18 PolarHBondContact O-N 3.12Å
17Q56Low59.3Low181 Ų181119.1 Ų119.185%0.84664%0.638SS**  trans-69.796167.1-164.4174.218.900107.1G15 I19G15-Q17 PolarHBondContact O-N 3.2Å; Q17-I19 PolarHBondContact O-N 3.48Å
18M58.1Low60.7Low130 Ų130115.4 Ų115.464%0.6462%0.624SS**  trans-87.2106.4-178.7-155.9146.388.200107.9K16 F20K16-M18 VanDerWaalsContact C-N 3.33Å; K16-M18 PolarHBondContact O-N 3.12Å; M18-F20 HydrophobicContact CB-CE2 4.3Å; M18-F20 HydrophobicContact CE-CE1 3.65Å; M18-F20 HydrophobicContact CE-CE2 3.98Å; M18-F20 HydrophobicContact CE-CZ 3.14Å; M18-F20 HydrophobicContact CG-CE1 4.3Å; M18-F20 HydrophobicContact CG-CE2 4.27Å; M18-F20 HydrophobicContact CG-CZ 4.08Å; M18-F20 HydrophobicContact SD-CZ 4.43Å
19I66.9Low62.3Low133 Ų133113.3 Ų113.368%0.68261%0.611SS**  trans-85.8116.5176.3-59.2173.2000106.8Q17Q17-I19 PolarHBondContact O-N 3.48Å
20F69.4Low63.5Low65 Ų65116.9 Ų116.929%0.28563%0.626SS.*  trans-95.6131.3173.2-65.8-76.9000110M18 Y25 I26M18-F20 HydrophobicContact CB-CE2 4.3Å; M18-F20 HydrophobicContact CE-CE1 3.65Å; M18-F20 HydrophobicContact CE-CE2 3.98Å; M18-F20 HydrophobicContact CE-CZ 3.14Å; M18-F20 HydrophobicContact CG-CE1 4.3Å; M18-F20 HydrophobicContact CG-CE2 4.27Å; M18-F20 HydrophobicContact CG-CZ 4.08Å; M18-F20 HydrophobicContact SD-CZ 4.43Å; F20-Y25 WeakPolarHBondContact CD2-O 3.37Å; F20-Y25 WeakPolarHBondContact CE2-O 3.32Å; F20-Y25 WeakPolarHBondContact CG-O 3.37Å; F20-I26 WeakPolarHBondContact CD1-O 3.3Å; F20-I26 VanDerWaalsContact CE1-C 3.47Å; F20-I26 WeakPolarHBondContact CE1-O 3.05Å; F20-I26 WeakPolarHBondContact CZ-O 3.27Å
21T75.3Confident64.5Low93 Ų93114 Ų11457%0.57161%0.609SS**  trans-88.1-8.8178.952.40000113.8D28 Y29T21-D28 PolarHBondContact N-OD1 3.39Å; T21-D28 WeakPolarHBondContact OG1-CA 3.48Å; T21-D28 VanDerWaalsContact OG1-CB 3.31Å; T21-D28 WeakPolarHBondContact OG1-CB 3.35Å; T21-D28 PolarHBondContact OG1-OD1 3.39Å; T21-Y29 WeakPolarHBondContact O-CB 3.48Å; T21-Y29 PolarHBondContact OG1-N 2.98Å
22G75.9Confident65.7Low8 Ų8119.6 Ų119.68%0.08263%0.627CS.*SBendtrans-78.5150.3178.900000114D24 Y25 K27G22-D24 PolarHBondContact O-N 3.17Å; G22-Y25 PolarHBondContact O-N 3.47Å; G22-K27 WeakPolarHBondContact CA-O 3.31Å; G22-K27 PolarHBondContact N-O 2.92Å
23P72.6Confident66.6Low94 Ų94119.7 Ų119.761%0.6162%0.62SS**THydrogen-bonded Turntrans-61.4-26.7178.426.3-34.9000113Y25P23-Y25 VanDerWaalsContact C-N 3.33Å; P23-Y25 WeakPolarHBondContact O-CD2 2.99Å; P23-Y25 VanDerWaalsContact O-CE2 3.31Å; P23-Y25 WeakPolarHBondContact O-CE2 3.48Å
24D75.7Confident67.5Low126 Ų126120.5 Ų120.567%0.67462%0.615SS**THydrogen-bonded Turntrans-87.1-1.6-179.8-57.8-28000112.9G22 I26G22-D24 PolarHBondContact O-N 3.17Å; D24-I26 HydrophobicContact CB-CD1 4.27Å; D24-I26 WeakPolarHBondContact O-CG1 3.31Å; D24-I26 PolarHBondContact O-N 3.36Å
25Y59.6Low68.5Low178 Ų178123.3 Ų123.370%0.69862%0.621SS**SBendtrans5513.3-178.4-52.8-84.7000115.7F20 G22 P23F20-Y25 WeakPolarHBondContact CD2-O 3.37Å; F20-Y25 WeakPolarHBondContact CE2-O 3.32Å; F20-Y25 WeakPolarHBondContact CG-O 3.37Å; G22-Y25 PolarHBondContact O-N 3.47Å; P23-Y25 VanDerWaalsContact C-N 3.33Å; P23-Y25 WeakPolarHBondContact O-CD2 2.99Å; P23-Y25 VanDerWaalsContact O-CE2 3.31Å; P23-Y25 WeakPolarHBondContact O-CE2 3.48Å
26I76.1Confident69.5Low118 Ų118126 Ų12661%0.60562%0.615SS**SBendtrans-99.9-29.5179.7-63.2158000111.4F20 D24F20-I26 WeakPolarHBondContact CD1-O 3.3Å; F20-I26 VanDerWaalsContact CE1-C 3.47Å; F20-I26 WeakPolarHBondContact CE1-O 3.05Å; F20-I26 WeakPolarHBondContact CZ-O 3.27Å; D24-I26 HydrophobicContact CB-CD1 4.27Å; D24-I26 WeakPolarHBondContact O-CG1 3.31Å; D24-I26 PolarHBondContact O-N 3.36Å
27K75.4Confident70Confident156 Ų156124.1 Ų124.168%0.67861%0.613SS**SBendtrans-145.9159.3-176.1-61.7-175.5-177.1174.70110.4G22G22-K27 WeakPolarHBondContact CA-O 3.31Å; G22-K27 PolarHBondContact N-O 2.92Å
28D77.3Confident70.3Confident92 Ų92118.6 Ų118.649%0.49259%0.594SS.*  trans-63.5143.3169-74.7-39.6000111.6T21 L30T21-D28 PolarHBondContact N-OD1 3.39Å; T21-D28 WeakPolarHBondContact OG1-CA 3.48Å; T21-D28 VanDerWaalsContact OG1-CB 3.31Å; T21-D28 WeakPolarHBondContact OG1-CB 3.35Å; T21-D28 PolarHBondContact OG1-OD1 3.39Å; D28-L30 PolarHBondContact O-N 3.16Å; D28-L30 VanDerWaalsContact O-N 3.12Å
29Y78.2Confident70.6Confident146 Ų146121.3 Ų121.357%0.57360%0.599SS**  trans-68.7110.4176.1-175.7-113.4000109T21 P31T21-Y29 WeakPolarHBondContact O-CB 3.48Å; T21-Y29 PolarHBondContact OG1-N 2.98Å; Y29-P31 HydrophobicContact CE1-CB 4.01Å; Y29-P31 WeakPolarHBondContact O-CD 3.42Å
30L75Confident70.4Confident152 Ų152120.7 Ų120.780%0.79660%0.601SS**  trans-96.5105.6171.3-66177000108.5D28 K32D28-L30 PolarHBondContact O-N 3.16Å; D28-L30 VanDerWaalsContact O-N 3.12Å; L30-K32 PolarHBondContact O-N 3.38Å
31P71.3Confident70.3Confident91 Ų91119 Ų11959%0.59160%0.602SS**  trans-64.4119.7177.625.4-32.5000109.6Y29 I33Y29-P31 HydrophobicContact CE1-CB 4.01Å; Y29-P31 WeakPolarHBondContact O-CD 3.42Å; P31-I33 PolarHBondContact O-N 3.35Å
32K72.9Confident69.7Low174 Ų174123.8 Ų123.876%0.75762%0.618SS**  trans-85.3110.5173.9-166.3172.9-176.3177.80108.9L30L30-K32 PolarHBondContact O-N 3.38Å
33I71.8Confident69.2Low151 Ų151131.1 Ų131.177%0.77465%0.65SS**  trans-84.8116.3173.4-57.2173.9000107.6P31 Q35P31-I33 PolarHBondContact O-N 3.35Å; I33-Q35 PolarHBondContact O-N 3.25Å
34H65.8Low68.6Low143 Ų143135.4 Ų135.466%0.66266%0.661SS**  trans-74.4122.3173.6-69.2-84.1000109.6H36H34-H36 VanDerWaalsContact C-N 3.29Å; H34-H36 PolarHBondContact O-N 3.34Å
35Q67.4Low67.9Low171 Ų171133.1 Ų133.180%0.79965%0.653SS**SBendtrans-71.7-25.3-179.9-67.3179.6-7.700112.7I33I33-Q35 PolarHBondContact O-N 3.25Å
36H65.5Low68.1Low122 Ų122127.5 Ų127.557%0.56564%0.644SS**  trans-130.5130.7-176.1-52.9-51.5000109.9H34H34-H36 VanDerWaalsContact C-N 3.29Å; H34-H36 PolarHBondContact O-N 3.34Å
37T64.6Low67.5Low82 Ų82130.8 Ų130.850%0.50366%0.661SS.*  trans-96.4-0.9176.5-27.30000111.9L53T37-L53 HydrophobicContact CG2-CB 4.47Å
38C62.3Low67Low65 Ų65132.2 Ų132.244%0.43967%0.67SS.*BIsolated β-bridgetrans-93.9146.6177.353.20000111.2V40C38-V40 PolarHBondContact O-N 3.14Å
39Y62.8Low66.4Low187 Ų187135.3 Ų135.373%0.73368%0.68SS**  trans-66.5112.3171179.3-102.8000109.9G41 G51Y39-G41 PolarHBondContact O-N 2.92Å; Y39-G51 PolarHBondContact N-O 2.86Å
40V62.9Low65.6Low121 Ų121132.3 Ų132.373%0.73368%0.676SS**  trans-94.579.4172.7-174.30000107.7C38C38-V40 PolarHBondContact O-N 3.14Å
41G68.8Low65.1Low29 Ų29126.4 Ų126.430%0.29965%0.653SS.*  trans-97.4162.2167.800000111.2Y39 Q43Y39-G41 PolarHBondContact O-N 2.92Å; G41-Q43 VanDerWaalsContact C-N 3.27Å; G41-Q43 PolarHBondContact O-N 3.22Å
42E61.8Low64.9Low194 Ų194124.2 Ų124.291%0.90764%0.636SS**SBendtrans-67.7-25.8-179-167176.5-167.700113.3
43Q65.4Low64.7Low161 Ų161119.8 Ų119.875%0.75262%0.62SS**SBendtrans-97.8128-179.5-68.2-76.7-26.500110.5G41 P45G41-Q43 VanDerWaalsContact C-N 3.27Å; G41-Q43 PolarHBondContact O-N 3.22Å; Q43-P45 WeakPolarHBondContact O-CD 3.33Å
44H59.2Low64.3Low185 Ų185120.4 Ų120.486%0.85661%0.613SS**PPolyproline II helixtrans-59.2122.3168.7-68.3-66.8000109
45P61.1Low64.1Low77 Ų77119.4 Ų119.450%0.560%0.604SS.*PPolyproline II helixtrans-62.9144.7176.626.4-32.2000109.4Q43 K49Q43-P45 WeakPolarHBondContact O-CD 3.33Å; P45-K49 HydrophobicContact CB-CB 4.22Å; P45-K49 WeakPolarHBondContact CB-O 2.97Å
46A65.3Low64Low61 Ų61116.5 Ų116.550%0.50459%0.593SS.*PPolyproline II helixtrans-49.7150.2175.700000110.7E48 K49A46-E48 PolarHBondContact O-N 3.49Å; A46-K49 PolarHBondContact O-N 3.04Å
47L62Low63.8Low186 Ų186118.8 Ų118.897%0.97460%0.597SS**THydrogen-bonded Turntrans-51-29.7-174.9-154.198.3000113.5
48E66.4Low63.7Low186 Ų186123.3 Ų123.387%0.86961%0.605SS**THydrogen-bonded Turntrans-83.9-17.8179.8-57.8-177.4166.900114A46A46-E48 PolarHBondContact O-N 3.49Å
49K62.9Low63.4Low158 Ų158123.3 Ų123.369%0.68760%0.604SS**  trans-101.4107-177.6-67.8-171.8179.8-179.80109.8P45 A46P45-K49 HydrophobicContact CB-CB 4.22Å; P45-K49 WeakPolarHBondContact CB-O 2.97Å; A46-K49 PolarHBondContact O-N 3.04Å
50T61.7Low63.3Low82 Ų82117.7 Ų117.750%0.50360%0.596SS.*  trans-85.8114.3172.8-680000109.8D52T50-D52 HydrophobicContact CG2-CB 3.49Å; T50-D52 VanDerWaalsContact CG2-CB 3.49Å; T50-D52 PolarHBondContact O-N 2.92Å
51G65.6Low63.3Low29 Ų29117.3 Ų117.330%0.29960%0.599SS.*  trans-77.93.8171.700000114.1Y39 L53Y39-G51 PolarHBondContact N-O 2.86Å; G51-L53 PolarHBondContact O-N 3.06Å
52D66.6Low62.7Low44 Ų44122.6 Ų122.624%0.23562%0.621CS.*BIsolated β-bridgetrans-86.9102.2178.9-178.514.2000110.4T50 R54 Y55T50-D52 HydrophobicContact CG2-CB 3.49Å; T50-D52 VanDerWaalsContact CG2-CB 3.49Å; T50-D52 PolarHBondContact O-N 2.92Å; D52-R54 PolarHBondContact O-N 3.13Å; D52-R54 VanDerWaalsContact OD1-CB 3.27Å; D52-R54 WeakPolarHBondContact OD1-CB 2.94Å; D52-R54 VanDerWaalsContact OD1-CD 3.3Å; D52-R54 WeakPolarHBondContact OD1-CD 3.21Å; D52-R54 WeakPolarHBondContact OD1-CG 3.31Å; D52-R54 PolarHBondContact OD1-N 3.1Å; D52-R54 VanDerWaalsContact OD1-N 3.16Å; D52-R54 IonicContact OD1-NE 3.8Å; D52-R54 WeakPolarHBondContact OD2-CD 3.38Å; D52-Y55 WeakPolarHBondContact O-CD1 3.44Å; D52-Y55 PolarHBondContact O-N 3.09Å
53L68.3Low62.5Low82 Ų82125.1 Ų125.143%0.42962%0.622SS.*G310 helixtrans-61.2-7.1179.5-68.2169.7000113.8T37 G51 Y55 L56T37-L53 HydrophobicContact CG2-CB 4.47Å; G51-L53 PolarHBondContact O-N 3.06Å; L53-Y55 PolarHBondContact O-N 3.35Å; L53-Y55 VanDerWaalsContact O-N 3.13Å; L53-L56 HydrophobicContact CD2-CD1 3.93Å; L53-L56 WeakPolarHBondContact O-CB 3.46Å; L53-L56 PolarHBondContact O-N 3.06Å; L53-L56 VanDerWaalsContact O-N 3.09Å
54R64.2Low62.1Low164 Ų164120.7 Ų120.762%0.61961%0.608SS**G310 helixtrans-57.5-23.7174.3-69.4173.6-171.7177.8-0.1113.2D52 L56 W57 R58D52-R54 PolarHBondContact O-N 3.13Å; D52-R54 VanDerWaalsContact OD1-CB 3.27Å; D52-R54 WeakPolarHBondContact OD1-CB 2.94Å; D52-R54 VanDerWaalsContact OD1-CD 3.3Å; D52-R54 WeakPolarHBondContact OD1-CD 3.21Å; D52-R54 WeakPolarHBondContact OD1-CG 3.31Å; D52-R54 PolarHBondContact OD1-N 3.1Å; D52-R54 VanDerWaalsContact OD1-N 3.16Å; D52-R54 IonicContact OD1-NE 3.8Å; D52-R54 WeakPolarHBondContact OD2-CD 3.38Å; R54-L56 PolarHBondContact O-N 3.2Å; R54-W57 CarbonylContact O-C 3.58Å; R54-W57 PolarHBondContact O-N 3.18Å; R54-W57 VanDerWaalsContact O-N 3.1Å; R54-R58 WeakPolarHBondContact O-CG 3.22Å; R54-R58 PolarHBondContact O-N 3.33Å
55Y61.5Low62.1Low121 Ų121119.1 Ų119.148%0.47561%0.606SS.*G310 helixtrans-62.3-31175.974.4-99000113D52 L53 W57D52-Y55 WeakPolarHBondContact O-CD1 3.44Å; D52-Y55 PolarHBondContact O-N 3.09Å; L53-Y55 PolarHBondContact O-N 3.35Å; L53-Y55 VanDerWaalsContact O-N 3.13Å; Y55-W57 PolarHBondContact O-N 3.49Å
56L65.9Low62.1Low111 Ų111119.2 Ų119.258%0.58161%0.606SS**G310 helixtrans-66.9-24.2176.3-66.4171.6000112.2L53 R54L53-L56 HydrophobicContact CD2-CD1 3.93Å; L53-L56 WeakPolarHBondContact O-CB 3.46Å; L53-L56 PolarHBondContact O-N 3.06Å; L53-L56 VanDerWaalsContact O-N 3.09Å; R54-L56 PolarHBondContact O-N 3.2Å
57W60.2Low61.8Low170 Ų170120.1 Ų120.164%0.64461%0.614SS**G310 helixtrans-113.514.1-173.2-60.876.8000112.7R54 Y55 P59 Y69R54-W57 CarbonylContact O-C 3.58Å; R54-W57 PolarHBondContact O-N 3.18Å; R54-W57 VanDerWaalsContact O-N 3.1Å; Y55-W57 PolarHBondContact O-N 3.49Å; W57-P59 VanDerWaalsContact O-CD 3.27Å; W57-P59 WeakPolarHBondContact O-CD 3.44Å; W57-Y69 HydrophobicContact CH2-CE1 4.45Å; W57-Y69 HydrophobicContact CZ3-CE1 4.28Å
58R62.3Low61.8Low176 Ų176115.7 Ų115.766%0.66459%0.586SS**PPolyproline II helixtrans-68.4119.6177.9-77.2-178.1-167.5-168.75.6109.6R54R54-R58 WeakPolarHBondContact O-CG 3.22Å; R54-R58 PolarHBondContact O-N 3.33Å
59P57.4Low61.4Low66 Ų66112.7 Ų112.743%0.42957%0.568SS.*PPolyproline II helixtrans-63.1140.2166.826.4-30.8000108.6W57 S61W57-P59 VanDerWaalsContact O-CD 3.27Å; W57-P59 WeakPolarHBondContact O-CD 3.44Å; P59-S61 PolarHBondContact O-N 3.2Å
60A60.3Low60.9Low68 Ų68112.9 Ų112.956%0.56257%0.569SS**PPolyproline II helixtrans-54.4127.9170.400000108.5N62 R63A60-N62 PolarHBondContact O-N 3.18Å; A60-R63 PolarHBondContact O-N 3.1Å
61S61.7Low60.7Low113 Ų113114.8 Ų114.879%0.7957%0.572SS**THydrogen-bonded Turntrans-53.2-20.4-166.356.30000114.7P59P59-S61 PolarHBondContact O-N 3.2Å
62N57.9Low60.3Low141 Ų141117.7 Ų117.775%0.75458%0.578SS**THydrogen-bonded Turntrans-123.7-3.7-166.5-51.2-7.6000114.4A60A60-N62 PolarHBondContact O-N 3.18Å
63R56.2Low59.6Low246 Ų246122.3 Ų122.393%0.92859%0.593SS**THydrogen-bonded Turntrans-154.2-6.1-167.6-107.2178.1-163.5-160.52.9119.1A60A60-R63 PolarHBondContact O-N 3.1Å
64S58.3Low58.9Low68 Ų68122 Ų12248%0.47659%0.594SS.*  trans-114.2121.6-176.9-172.50000110.6
65L57.5Low58.5Low153 Ų153117.5 Ų117.580%0.80160%0.598SS**  trans-59.5138.3154.8-65.1173.5000107.1A67L65-A67 PolarHBondContact O-N 3.32Å
66P61Low57.9Low79 Ų79115.7 Ų115.751%0.51359%0.594SS.*  trans-58.3139.3176.124.1-32000109K68P66-K68 PolarHBondContact O-N 3.31Å
67A61Low56.9Low79 Ų79119.1 Ų119.165%0.65361%0.611SS**  trans-57.9109.3171.600000107.8L65L65-A67 PolarHBondContact O-N 3.32Å
68K60.8Low56.5Low93 Ų93113.3 Ų113.340%0.40460%0.604SS.*  trans-73.6140.5-178.6-69.5-160.9171.9-1680109.4P66 E72 Y73P66-K68 PolarHBondContact O-N 3.31Å; K68-E72 HydrophobicContact CB-CB 4.08Å; K68-E72 VanDerWaalsContact CB-OE2 3.23Å; K68-E72 WeakPolarHBondContact CB-OE2 3.45Å; K68-E72 HydrophobicContact CD-CB 4.27Å; K68-E72 VanDerWaalsContact CD-OE2 3.32Å; K68-E72 WeakPolarHBondContact CD-OE2 3.18Å; K68-E72 WeakPolarHBondContact CG-OE2 3.32Å; K68-Y73 HydrophobicContact CB-CE2 4.25Å; K68-Y73 WeakPolarHBondContact O-CE2 3.16Å
69Y58.3Low56Low124 Ų124110.4 Ų110.449%0.48659%0.593SS.*  trans-65.3152.8174.3-69.1-79.7000110.3W57 H71 E72 Y73W57-Y69 HydrophobicContact CH2-CE1 4.45Å; W57-Y69 HydrophobicContact CZ3-CE1 4.28Å; Y69-H71 WeakPolarHBondContact CB-CE1 3.34Å; Y69-H71 WeakPolarHBondContact CB-ND1 3.44Å; Y69-H71 AromaticContact CG-CE1 3.69Å; Y69-H71 PolarHBondContact O-N 3.06Å; Y69-H71 VanDerWaalsContact O-N 3.11Å; Y69-E72 WeakPolarHBondContact O-CB 3.27Å; Y69-E72 PolarHBondContact O-N 3.24Å; Y69-Y73 WeakPolarHBondContact O-CD2 3.2Å
70K53.2Low55.7Low161 Ų161110.6 Ų110.670%0.761%0.607SS**G310 helixtrans-48.5-41.7-179.6-78.2-169176.7-174.20113.1E72 Y73 E76K70-E72 PolarHBondContact O-N 2.94Å; K70-E72 VanDerWaalsContact O-N 3.16Å; K70-Y73 WeakPolarHBondContact O-CB 3.31Å; K70-Y73 WeakPolarHBondContact O-CD2 3.49Å; K70-Y73 PolarHBondContact O-N 3.45Å; K70-E76 WeakPolarHBondContact CB-OE1 3.34Å; K70-E76 VanDerWaalsContact O-OE2 3.1Å
71H56.1Low55.7Low122 Ų122110.3 Ų110.357%0.56560%0.598SS**G310 helixtrans-69.6-10.4179.262.1-98.4000115.1Y69 E76Y69-H71 WeakPolarHBondContact CB-CE1 3.34Å; Y69-H71 WeakPolarHBondContact CB-ND1 3.44Å; Y69-H71 AromaticContact CG-CE1 3.69Å; Y69-H71 PolarHBondContact O-N 3.06Å; Y69-H71 VanDerWaalsContact O-N 3.11Å; H71-E76 WeakPolarHBondContact CA-OE2 3.22Å; H71-E76 PolarHBondContact N-OE2 3.2Å
72E57.1Low55.6Low91 Ų91109.7 Ų109.743%0.42559%0.592SS.*G310 helixtrans-89.2-7.8172.6-62-179.6-170.200112.4K68 Y69 K70K68-E72 HydrophobicContact CB-CB 4.08Å; K68-E72 VanDerWaalsContact CB-OE2 3.23Å; K68-E72 WeakPolarHBondContact CB-OE2 3.45Å; K68-E72 HydrophobicContact CD-CB 4.27Å; K68-E72 VanDerWaalsContact CD-OE2 3.32Å; K68-E72 WeakPolarHBondContact CD-OE2 3.18Å; K68-E72 WeakPolarHBondContact CG-OE2 3.32Å; Y69-E72 WeakPolarHBondContact O-CB 3.27Å; Y69-E72 PolarHBondContact O-N 3.24Å; K70-E72 PolarHBondContact O-N 2.94Å; K70-E72 VanDerWaalsContact O-N 3.16Å
73Y53.6Low55.7Low141 Ų141109.4 Ų109.455%0.55359%0.585SS**SBendtrans-78.6143.2173.2-71.5-91.4000111.1K68 Y69 K70 G75K68-Y73 HydrophobicContact CB-CE2 4.25Å; K68-Y73 WeakPolarHBondContact O-CE2 3.16Å; Y69-Y73 WeakPolarHBondContact O-CD2 3.2Å; K70-Y73 WeakPolarHBondContact O-CB 3.31Å; K70-Y73 WeakPolarHBondContact O-CD2 3.49Å; K70-Y73 PolarHBondContact O-N 3.45Å; Y73-G75 PolarHBondContact O-N 3.43Å
74V53.6Low55.9Low76 Ų76104.9 Ų104.946%0.46157%0.57SS.*THydrogen-bonded Turntrans-63.6118.1177.9171.20000109.3W79V74-W79 HydrophobicContact CB-CZ2 4.16Å; V74-W79 HydrophobicContact CG1-CH2 4.46Å; V74-W79 HydrophobicContact CG1-CZ2 3.6Å; V74-W79 HydrophobicContact CG2-CZ2 4.03Å
75G54.9Low56Low68 Ų68105.8 Ų105.870%0.70157%0.569SS**THydrogen-bonded Turntrans121.7-8.5177.900000115.9Y73Y73-G75 PolarHBondContact O-N 3.43Å
76E49.4Very low56.5Low84 Ų84105.7 Ų105.739%0.39356%0.562SS.*SBendtrans-90.2163.3178.5-63.6-154.417000114.3K70 H71 G78K70-E76 WeakPolarHBondContact CB-OE1 3.34Å; K70-E76 VanDerWaalsContact O-OE2 3.1Å; H71-E76 WeakPolarHBondContact CA-OE2 3.22Å; H71-E76 PolarHBondContact N-OE2 3.2Å; E76-G78 PolarHBondContact O-N 3.16Å
77I45.2Very low56.7Low182 Ų182105.6 Ų105.693%0.93356%0.557SS**THydrogen-bonded Turntrans-63.4103179.8-62.7163.8000109.3
78G50.7Low56.7Low48 Ų48103.9 Ų103.950%0.49554%0.537SS..THydrogen-bonded Turntrans153-1.2-173.600000115.3E76 G80E76-G78 PolarHBondContact O-N 3.16Å; G78-G80 PolarHBondContact O-N 2.86Å
79W51Low57Low116 Ų116105.2 Ų105.244%0.43954%0.543SS..THydrogen-bonded Turntrans-58.9117.2169.4-90.466.8000110.9V74 L92V74-W79 HydrophobicContact CB-CZ2 4.16Å; V74-W79 HydrophobicContact CG1-CH2 4.46Å; V74-W79 HydrophobicContact CG1-CZ2 3.6Å; V74-W79 HydrophobicContact CG2-CZ2 4.03Å; W79-L92 HydrophobicContact CZ3-CD2 3.86Å; W79-L92 HydrophobicContact CZ3-CG 4.15Å
80G51.7Low57.4Low69 Ų69103.2 Ų103.271%0.71155%0.547SS*.THydrogen-bonded Turntrans118.67.8179.100000116.4G78 P82G78-G80 PolarHBondContact O-N 2.86Å; G80-P82 VanDerWaalsContact O-CD 3.31Å; G80-P82 WeakPolarHBondContact O-CD 3.47Å
81V59.8Low57.8Low62 Ų62102.5 Ų102.538%0.37654%0.54SS..  trans-73.2114.2172.4-179.30000109.8Q83 Y84V81-Q83 HydrophobicContact CG1-CB 4.44Å; V81-Q83 PolarHBondContact O-N 3.06Å; V81-Q83 VanDerWaalsContact O-N 3.14Å; V81-Y84 HydrophobicContact CB-CD2 4.27Å; V81-Y84 HydrophobicContact CG1-CD2 3.75Å; V81-Y84 HydrophobicContact CG1-CE2 4.15Å; V81-Y84 PolarHBondContact O-N 3.11Å
82P59.8Low58.3Low101 Ų10199.8 Ų99.866%0.65653%0.529SS*.G310 helixtrans-61.3-29.9-170.7-4.47.3000113.3G80 Y84 N85G80-P82 VanDerWaalsContact O-CD 3.31Å; G80-P82 WeakPolarHBondContact O-CD 3.47Å; P82-Y84 VanDerWaalsContact C-N 3.3Å; P82-Y84 PolarHBondContact O-N 2.94Å; P82-N85 WeakPolarHBondContact O-CB 3.23Å; P82-N85 PolarHBondContact O-N 3.04Å
83Q60.8Low58.9Low134 Ų134102.2 Ų102.263%0.62654%0.54SS*.G310 helixtrans-67.6-24.4-176.6-65.488.8-4.700114.1V81 F86V81-Q83 HydrophobicContact CG1-CB 4.44Å; V81-Q83 PolarHBondContact O-N 3.06Å; V81-Q83 VanDerWaalsContact O-N 3.14Å; Q83-F86 VanDerWaalsContact O-CE1 3.31Å; Q83-F86 WeakPolarHBondContact O-CE1 3.29Å
84Y60.5Low59.7Low152 Ų15298.9 Ų98.960%0.59654%0.538SS*.G310 helixtrans-110.49-176.2-58.6-69000113.4V81 P82 F86 I87V81-Y84 HydrophobicContact CB-CD2 4.27Å; V81-Y84 HydrophobicContact CG1-CD2 3.75Å; V81-Y84 HydrophobicContact CG1-CE2 4.15Å; V81-Y84 PolarHBondContact O-N 3.11Å; P82-Y84 VanDerWaalsContact C-N 3.3Å; P82-Y84 PolarHBondContact O-N 2.94Å; Y84-F86 PolarHBondContact O-N 3.42Å; Y84-I87 HydrophobicContact CD1-CD1 4.37Å; Y84-I87 PolarHBondContact O-N 3.22Å
85N61.2Low60.3Low87 Ų8796.5 Ų96.547%0.46553%0.529SS..Hα-helixtrans-64.8-26.1-172.9-147.78.1000112.8P82 I87 N88 K89P82-N85 WeakPolarHBondContact O-CB 3.23Å; P82-N85 PolarHBondContact O-N 3.04Å; N85-I87 VanDerWaalsContact C-N 3.26Å; N85-I87 PolarHBondContact O-N 3.31Å; N85-N88 PolarHBondContact O-N 2.81Å; N85-K89 PolarHBondContact O-N 2.89Å; N85-K89 VanDerWaalsContact O-N 3.1Å
86F66.8Low60.7Low150 Ų150101.8 Ų101.866%0.65853%0.533SS*.Hα-helixtrans-62.9-30177.768.7-89.2000113.4Q83 Y84 N88Q83-F86 VanDerWaalsContact O-CE1 3.31Å; Q83-F86 WeakPolarHBondContact O-CE1 3.29Å; Y84-F86 PolarHBondContact O-N 3.42Å; F86-N88 VanDerWaalsContact C-N 3.3Å; F86-N88 PolarHBondContact O-N 3.08Å
87I65.9Low61.1Low77 Ų77101.7 Ų101.740%0.39553%0.532SS..Hα-helixtrans-69.8-32-177.6-58.5176.8000110.9Y84 N85Y84-I87 HydrophobicContact CD1-CD1 4.37Å; Y84-I87 PolarHBondContact O-N 3.22Å; N85-I87 VanDerWaalsContact C-N 3.26Å; N85-I87 PolarHBondContact O-N 3.31Å
88N60.8Low61.8Low44 Ų4496.1 Ų96.124%0.23550%0.503CS..Hα-helixtrans-108.51.6-174.9-69.1-33.1000113.4N85 F86 S90 R91 L92N85-N88 PolarHBondContact O-N 2.81Å; F86-N88 VanDerWaalsContact C-N 3.3Å; F86-N88 PolarHBondContact O-N 3.08Å; N88-S90 VanDerWaalsContact C-N 3.33Å; N88-S90 PolarHBondContact O-N 3.3Å; N88-R91 PolarHBondContact O-N 2.89Å; N88-R91 VanDerWaalsContact O-N 3.08Å; N88-L92 HydrophobicContact CB-CD1 4.44Å; N88-L92 WeakPolarHBondContact O-CB 3.39Å; N88-L92 PolarHBondContact O-N 3.38Å
89K67.2Low62.1Low121 Ų121101.3 Ų101.353%0.52651%0.512SS..Hα-helixtrans-55.4-45.2-175.7-160.1-178.8-177.9-167.70112.5N85 R91 L92 E93N85-K89 PolarHBondContact O-N 2.89Å; N85-K89 VanDerWaalsContact O-N 3.1Å; K89-R91 PolarHBondContact O-N 3.01Å; K89-L92 PolarHBondContact O-N 3.42Å; K89-E93 WeakPolarHBondContact CE-OE1 3.37Å; K89-E93 WeakPolarHBondContact O-CB 3.48Å; K89-E93 VanDerWaalsContact O-CG 3.29Å; K89-E93 WeakPolarHBondContact O-CG 3.36Å; K89-E93 PolarHBondContact O-N 3.5Å
90S66.3Low62.3Low82 Ų82104.6 Ų104.657%0.57353%0.526SS*.Hα-helixtrans-68.9-29.2178.860.70000114.2N88 S94N88-S90 VanDerWaalsContact C-N 3.33Å; N88-S90 PolarHBondContact O-N 3.3Å; S90-S94 WeakPolarHBondContact O-CB 3.18Å; S90-S94 PolarHBondContact O-N 3.45Å; S90-S94 VanDerWaalsContact O-N 3.1Å; S90-S94 PolarHBondContact O-OG 3.44Å
91R62.6Low62.3Low145 Ų145110.2 Ų110.255%0.54753%0.534SS..Hα-helixtrans-82.9-28176-74.9-169.9-178.6-176.80.7113N88 K89 S94 H97N88-R91 PolarHBondContact O-N 2.89Å; N88-R91 VanDerWaalsContact O-N 3.08Å; K89-R91 PolarHBondContact O-N 3.01Å; R91-S94 WeakPolarHBondContact CA-OG 3.47Å; R91-S94 PolarHBondContact O-OG 3.23Å; R91-H97 PolarHBondContact O-ND1 2.68Å
92L65.1Low62Low66 Ų66114.6 Ų114.635%0.34655%0.55SS..Hα-helixtrans-69.3-51.1170.1-88.8161.8000110.4W79 N88 K89 S94 G95 H97W79-L92 HydrophobicContact CZ3-CD2 3.86Å; W79-L92 HydrophobicContact CZ3-CG 4.15Å; N88-L92 HydrophobicContact CB-CD1 4.44Å; N88-L92 WeakPolarHBondContact O-CB 3.39Å; N88-L92 PolarHBondContact O-N 3.38Å; K89-L92 PolarHBondContact O-N 3.42Å; L92-S94 VanDerWaalsContact C-N 3.35Å; L92-S94 PolarHBondContact O-N 3.03Å; L92-G95 PolarHBondContact O-N 3.37Å; L92-H97 PolarHBondContact O-CE1 3.1Å
93E71Confident61.7Low141 Ų141116.2 Ų116.266%0.65955%0.553SS**Hα-helixtrans-65.3-35.4179.4-72.7172.4179.600112.7K89 G95K89-E93 WeakPolarHBondContact CE-OE1 3.37Å; K89-E93 WeakPolarHBondContact O-CB 3.48Å; K89-E93 VanDerWaalsContact O-CG 3.29Å; K89-E93 WeakPolarHBondContact O-CG 3.36Å; K89-E93 PolarHBondContact O-N 3.5Å; E93-G95 PolarHBondContact O-N 3.24Å
94S70.1Confident61.5Low72 Ų72112.8 Ų112.850%0.50354%0.543SS..THydrogen-bonded Turntrans-77.5-4.2178.358.60000114.4S90 R91 L92 F96S90-S94 WeakPolarHBondContact O-CB 3.18Å; S90-S94 PolarHBondContact O-N 3.45Å; S90-S94 VanDerWaalsContact O-N 3.1Å; S90-S94 PolarHBondContact O-OG 3.44Å; R91-S94 WeakPolarHBondContact CA-OG 3.47Å; R91-S94 PolarHBondContact O-OG 3.23Å; L92-S94 VanDerWaalsContact C-N 3.35Å; L92-S94 PolarHBondContact O-N 3.03Å; S94-F96 PolarHBondContact O-N 3.45Å
95G65.3Low61.3Low26 Ų26112.7 Ų112.727%0.26855%0.548SS..THydrogen-bonded Turntrans62.710.5-179.300000114.2L92 E93 H97 I98L92-G95 PolarHBondContact O-N 3.37Å; E93-G95 PolarHBondContact O-N 3.24Å; G95-H97 PolarHBondContact O-N 3.34Å; G95-I98 PolarHBondContact O-N 3.22Å
96F64.1Low61.2Low179 Ų179111.6 Ų111.679%0.78555%0.551SS**THydrogen-bonded Turntrans-64.4-13.5-173.8-143.8-91.2000113.7S94S94-F96 PolarHBondContact O-N 3.45Å
97H57.9Low60.7Low81 Ų81106.4 Ų106.438%0.37553%0.534SS..THydrogen-bonded Turntrans-89-11.1176.661.8-79.2000113R91 L92 G95R91-H97 PolarHBondContact O-ND1 2.68Å; L92-H97 PolarHBondContact O-CE1 3.1Å; G95-H97 PolarHBondContact O-N 3.34Å
98I58.5Low60.4Low65 Ų65107.5 Ų107.533%0.33354%0.54SS..  trans-110.4101.9-177.9-39.1176.7000109G95 Y100G95-I98 PolarHBondContact O-N 3.22Å; I98-Y100 HydrophobicContact CB-CD2 3.69Å; I98-Y100 HydrophobicContact CB-CE2 3.32Å; I98-Y100 HydrophobicContact CB-CG 4.47Å; I98-Y100 HydrophobicContact CD1-CE2 3.69Å; I98-Y100 WeakPolarHBondContact CD1-OH 3.12Å; I98-Y100 HydrophobicContact CG1-CE2 4.05Å; I98-Y100 HydrophobicContact CG2-CD1 3.81Å; I98-Y100 HydrophobicContact CG2-CD2 3.48Å; I98-Y100 VanDerWaalsContact CG2-CD2 3.48Å; I98-Y100 HydrophobicContact CG2-CE1 3.52Å; I98-Y100 HydrophobicContact CG2-CE2 3.19Å; I98-Y100 HydrophobicContact CG2-CG 3.79Å; I98-Y100 PolarHBondContact O-N 2.91Å
99K57Low60.4Low158 Ų158109.1 Ų109.169%0.68755%0.548SS*.  trans-78.796.1167.5-69.5-171.4174.5-165.20108E101K99-E101 PolarHBondContact O-N 2.99Å
100Y55.3Low60Low185 Ų185105.7 Ų105.773%0.72554%0.539SS*.  trans-79.4-4.5-172.3-85-71.3000116.1I98I98-Y100 HydrophobicContact CB-CD2 3.69Å; I98-Y100 HydrophobicContact CB-CE2 3.32Å; I98-Y100 HydrophobicContact CB-CG 4.47Å; I98-Y100 HydrophobicContact CD1-CE2 3.69Å; I98-Y100 WeakPolarHBondContact CD1-OH 3.12Å; I98-Y100 HydrophobicContact CG1-CE2 4.05Å; I98-Y100 HydrophobicContact CG2-CD1 3.81Å; I98-Y100 HydrophobicContact CG2-CD2 3.48Å; I98-Y100 VanDerWaalsContact CG2-CD2 3.48Å; I98-Y100 HydrophobicContact CG2-CE1 3.52Å; I98-Y100 HydrophobicContact CG2-CE2 3.19Å; I98-Y100 HydrophobicContact CG2-CG 3.79Å; I98-Y100 PolarHBondContact O-N 2.91Å
101E51.4Low59.4Low187 Ų187106.7 Ų106.787%0.87454%0.538SS*.SBendtrans-132-10.4-172.6-83.4176.7143.100116K99K99-E101 PolarHBondContact O-N 2.99Å
102E53.5Low59.1Low153 Ų153104 Ų10472%0.71554%0.537SS*.  trans-114.719.7-176.3-67.6-17416300114.1S104E102-S104 PolarHBondContact O-N 3.36Å
103L54.5Low58.6Low136 Ų136107 Ų10771%0.71255%0.549SS*.SBendtrans-70.382.2150.5-73.1-179.9000106.1Q105L103-Q105 PolarHBondContact O-N 3Å
104S55.7Low57.5Low61 Ų61108.8 Ų108.843%0.42755%0.55SS..  trans-37.8130.1-172.1-178.10000109.6E102 A106 S107 L108E102-S104 PolarHBondContact O-N 3.36Å; S104-A106 CarbonylContact O-C 3.51Å; S104-A106 PolarHBondContact O-N 3.48Å; S104-A106 WeakPolarHBondContact OG-CB 3.29Å; S104-A106 PolarHBondContact OG-N 3.47Å; S104-A106 VanDerWaalsContact OG-N 3.16Å; S104-S107 WeakPolarHBondContact O-CA 3.43Å; S104-S107 WeakPolarHBondContact O-CB 3.33Å; S104-S107 PolarHBondContact O-N 3.48Å; S104-S107 PolarHBondContact O-OG 3.44Å; S104-L108 PolarHBondContact O-N 2.99Å
105Q57.8Low56.4Low151 Ų151115.7 Ų115.771%0.70657%0.566SS**Hα-helixtrans-41.1-34164.5-144.588.94.800110.8L103 S107 L108 D109L103-Q105 PolarHBondContact O-N 3Å; Q105-S107 PolarHBondContact O-N 3.44Å; Q105-L108 PolarHBondContact O-N 2.98Å; Q105-D109 VanDerWaalsContact O-CB 3.24Å; Q105-D109 WeakPolarHBondContact O-CB 3.26Å; Q105-D109 PolarHBondContact O-N 3.02Å
106A58.1Low55.7Low63 Ų63122.1 Ų122.152%0.52159%0.589SS.*Hα-helixtrans-64.1-35.417500000114.5S104 S110S104-A106 CarbonylContact O-C 3.51Å; S104-A106 PolarHBondContact O-N 3.48Å; S104-A106 WeakPolarHBondContact OG-CB 3.29Å; S104-A106 PolarHBondContact OG-N 3.47Å; S104-A106 VanDerWaalsContact OG-N 3.16Å; A106-S110 WeakPolarHBondContact O-CB 3.44Å; A106-S110 PolarHBondContact O-N 3.27Å
107S56.2Low55Low42 Ų42120.4 Ų120.429%0.29459%0.589SS.*Hα-helixtrans-70.7-43.9174.967.80000111.3S104 Q105 S110 I111S104-S107 WeakPolarHBondContact O-CA 3.43Å; S104-S107 WeakPolarHBondContact O-CB 3.33Å; S104-S107 PolarHBondContact O-N 3.48Å; S104-S107 PolarHBondContact O-OG 3.44Å; Q105-S107 PolarHBondContact O-N 3.44Å; S107-S110 PolarHBondContact O-N 3.42Å; S107-S110 PolarHBondContact O-OG 3.24Å; S107-I111 WeakPolarHBondContact O-CG1 3.43Å; S107-I111 PolarHBondContact O-N 3.36Å; S107-I111 VanDerWaalsContact O-N 3.13Å
108L61Low54.7Low99 Ų99121.8 Ų121.852%0.51860%0.604SS.*Hα-helixtrans-65.5-43.7173.9-75.2172.4000111.1S104 Q105 S110 I111 T112S104-L108 PolarHBondContact O-N 2.99Å; Q105-L108 PolarHBondContact O-N 2.98Å; L108-S110 VanDerWaalsContact C-N 3.33Å; L108-S110 PolarHBondContact O-N 3.36Å; L108-I111 PolarHBondContact O-N 2.8Å; L108-I111 VanDerWaalsContact O-N 3.17Å; L108-T112 VanDerWaalsContact O-CB 3.26Å; L108-T112 WeakPolarHBondContact O-CB 3.4Å; L108-T112 PolarHBondContact O-N 3.49Å; L108-T112 PolarHBondContact O-OG1 2.89Å
109D59.3Low54.4Low78 Ų78126.8 Ų126.842%0.41762%0.619SS.*Hα-helixtrans-60.4-42.1172.7-85.1-8.9000111Q105 I111 T112 H113Q105-D109 VanDerWaalsContact O-CB 3.24Å; Q105-D109 WeakPolarHBondContact O-CB 3.26Å; Q105-D109 PolarHBondContact O-N 3.02Å; D109-I111 PolarHBondContact O-N 3.39Å; D109-T112 PolarHBondContact O-N 3.39Å; D109-H113 VanDerWaalsContact O-CB 3.25Å; D109-H113 WeakPolarHBondContact O-CB 3.49Å; D109-H113 PolarHBondContact O-CD2 3.44Å; D109-H113 PolarHBondContact O-N 3.32Å
110S58.7Low54.4Low49 Ų49125.5 Ų125.534%0.34362%0.616SS.*Hα-helixtrans-62.3-27.6177.681.50000113.4A106 S107 L108 R114A106-S110 WeakPolarHBondContact O-CB 3.44Å; A106-S110 PolarHBondContact O-N 3.27Å; S107-S110 PolarHBondContact O-N 3.42Å; S107-S110 PolarHBondContact O-OG 3.24Å; L108-S110 VanDerWaalsContact C-N 3.33Å; L108-S110 PolarHBondContact O-N 3.36Å; S110-R114 VanDerWaalsContact O-CG 3.29Å; S110-R114 WeakPolarHBondContact O-CG 3.18Å; S110-R114 PolarHBondContact O-NE 3.48Å
111I55.2Low54.7Low104 Ų104117.8 Ų117.853%0.53359%0.588SS.*Hα-helixtrans-91.7-38.6179.1-64.8165.1000110.3S107 L108 D109 R114S107-I111 WeakPolarHBondContact O-CG1 3.43Å; S107-I111 PolarHBondContact O-N 3.36Å; S107-I111 VanDerWaalsContact O-N 3.13Å; L108-I111 PolarHBondContact O-N 2.8Å; L108-I111 VanDerWaalsContact O-N 3.17Å; D109-I111 PolarHBondContact O-N 3.39Å; I111-R114 WeakPolarHBondContact O-CB 3.25Å; I111-R114 PolarHBondContact O-N 3.31Å
112T55.2Low55.2Low87 Ų87115.1 Ų115.153%0.53457%0.574SS.*Hα-helixtrans-73.2-35.6-177.3-45.50000111L108 D109 R114 Y115L108-T112 VanDerWaalsContact O-CB 3.26Å; L108-T112 WeakPolarHBondContact O-CB 3.4Å; L108-T112 PolarHBondContact O-N 3.49Å; L108-T112 PolarHBondContact O-OG1 2.89Å; D109-T112 PolarHBondContact O-N 3.39Å; T112-R114 VanDerWaalsContact C-N 3.31Å; T112-R114 PolarHBondContact O-N 3.24Å; T112-Y115 PolarHBondContact O-N 3.21Å
113H54.5Low55.6Low131 Ų131111.9 Ų111.961%0.60657%0.566SS**G310 helixtrans-71.1-22.3171.3-69.5-56.6000113.5D109 Y115D109-H113 VanDerWaalsContact O-CB 3.25Å; D109-H113 WeakPolarHBondContact O-CB 3.49Å; D109-H113 PolarHBondContact O-CD2 3.44Å; D109-H113 PolarHBondContact O-N 3.32Å; H113-Y115 VanDerWaalsContact C-N 3.26Å; H113-Y115 PolarHBondContact O-N 3.17Å
114R49.3Very low56.1Low178 Ų178109.8 Ų109.867%0.67255%0.552SS**G310 helixtrans-70.3-22.3173-82-177.9-124-159.4-0.8113S110 I111 T112S110-R114 VanDerWaalsContact O-CG 3.29Å; S110-R114 WeakPolarHBondContact O-CG 3.18Å; S110-R114 PolarHBondContact O-NE 3.48Å; I111-R114 WeakPolarHBondContact O-CB 3.25Å; I111-R114 PolarHBondContact O-N 3.31Å; T112-R114 VanDerWaalsContact C-N 3.31Å; T112-R114 PolarHBondContact O-N 3.24Å
115Y45.9Very low56.7Low216 Ų216107.8 Ų107.885%0.84754%0.538SS*.G310 helixtrans-92.9-3-173.9-138.8-93.9000114.3T112 H113 N117T112-Y115 PolarHBondContact O-N 3.21Å; H113-Y115 VanDerWaalsContact C-N 3.26Å; H113-Y115 PolarHBondContact O-N 3.17Å; Y115-N117 PolarHBondContact O-N 3.13Å
116Q50.5Low57Low161 Ų161101.1 Ų101.175%0.75251%0.506SS*.SBendtrans-9585.2176.3-74.6-161.9-24.800111.5
117N49Very low57.5Low144 Ų144102.3 Ų102.377%0.7750%0.504SS*.  trans58.5111.4164-96.2-19.6000116.2Y115 W119Y115-N117 PolarHBondContact O-N 3.13Å; N117-W119 PolarHBondContact O-N 2.69Å
118P52.2Low58.1Low109 Ų109106 Ų10671%0.70852%0.518SS*.  trans-55.5112.2162.423.8-30.8000107.7Q120P118-Q120 PolarHBondContact O-N 2.86Å
119W52.2Low58.2Low171 Ų171105.2 Ų105.265%0.64851%0.512SS*.  trans-58.6108.3-178.817887.6000108.1N117 P121 V158N117-W119 PolarHBondContact O-N 2.69Å; W119-P121 HydrophobicContact CH2-CB 3.86Å; W119-P121 HydrophobicContact CZ3-CB 3.84Å; W119-P121 HydrophobicContact CZ3-CG 4.46Å; W119-V158 HydrophobicContact CH2-CG1 4.29Å
120Q57.4Low58.6Low131 Ų131103.1 Ų103.161%0.61251%0.509SS*.PPolyproline II helixtrans-87.5129.5173.8-66.5-175.6-300108.4P118P118-Q120 PolarHBondContact O-N 2.86Å
121P61.3Low58.7Low22 Ų22111.4 Ų111.414%0.14354%0.539CS..PPolyproline II helixtrans-61.7152.817126.9-33000109.7W119 V125 L126W119-P121 HydrophobicContact CH2-CB 3.86Å; W119-P121 HydrophobicContact CZ3-CB 3.84Å; W119-P121 HydrophobicContact CZ3-CG 4.46Å; P121-V125 HydrophobicContact CB-CB 4.29Å; P121-V125 HydrophobicContact CB-CG1 4.36Å; P121-L126 HydrophobicContact CG-CD1 4.34Å; P121-L126 HydrophobicContact CG-CD2 3.61Å; P121-L126 HydrophobicContact CG-CG 3.89Å
122K62.7Low58.9Low132 Ų132114.2 Ų114.257%0.57455%0.55SS*.PPolyproline II helixtrans-54.1142.3-178.8-68.5178.3177.7178.60110H124 V125K122-H124 VanDerWaalsContact CB-CE1 3.41Å; K122-H124 WeakPolarHBondContact CB-CE1 3.39Å; K122-H124 WeakPolarHBondContact CB-ND1 3.17Å; K122-H124 PolarHBondContact O-N 2.77Å; K122-V125 WeakPolarHBondContact O-CB 3.43Å; K122-V125 PolarHBondContact O-N 2.74Å
123P60.1Low59Low84 Ų84110.4 Ų110.455%0.54553%0.527SS..Hα-helixtrans-52.3-34.1-172.3-28.633.5000115V125 L126 D127P123-V125 VanDerWaalsContact C-N 3.28Å; P123-V125 PolarHBondContact O-N 2.6Å; P123-L126 WeakPolarHBondContact O-CB 3.24Å; P123-L126 PolarHBondContact O-N 3.33Å; P123-D127 VanDerWaalsContact O-CG 3.27Å; P123-D127 PolarHBondContact O-N 3.39Å; P123-D127 VanDerWaalsContact O-N 3.07Å
124H66.3Low59.2Low93 Ų93111 Ų11143%0.43152%0.523SS..Hα-helixtrans-64.8-28.3177.869.8-97.2000113.7K122 M128K122-H124 VanDerWaalsContact CB-CE1 3.41Å; K122-H124 WeakPolarHBondContact CB-CE1 3.39Å; K122-H124 WeakPolarHBondContact CB-ND1 3.17Å; K122-H124 PolarHBondContact O-N 2.77Å; H124-M128 PolarHBondContact O-N 3.49Å
125V67.2Low59.5Low19 Ų19106.2 Ų106.212%0.11552%0.522CS..Hα-helixtrans-73.1-37.7175.9-177.60000110.2P121 K122 P123 D127 M128 Q129 V158P121-V125 HydrophobicContact CB-CB 4.29Å; P121-V125 HydrophobicContact CB-CG1 4.36Å; K122-V125 WeakPolarHBondContact O-CB 3.43Å; K122-V125 PolarHBondContact O-N 2.74Å; P123-V125 VanDerWaalsContact C-N 3.28Å; P123-V125 PolarHBondContact O-N 2.6Å; V125-D127 VanDerWaalsContact C-N 3.33Å; V125-M128 HydrophobicContact CG1-CE 4.49Å; V125-M128 PolarHBondContact O-N 2.91Å; V125-Q129 PolarHBondContact O-N 2.8Å; V125-V158 HydrophobicContact CG1-CG2 4.18Å
126L64Low59.9Low10 Ų1099 Ų995%0.05250%0.504CS..Hα-helixtrans-67.9-34.2176.4-65.2171.5000111.6P121 P123 M128 Q129 S133 R134 L137P121-L126 HydrophobicContact CG-CD1 4.34Å; P121-L126 HydrophobicContact CG-CD2 3.61Å; P121-L126 HydrophobicContact CG-CG 3.89Å; P123-L126 WeakPolarHBondContact O-CB 3.24Å; P123-L126 PolarHBondContact O-N 3.33Å; L126-M128 VanDerWaalsContact C-N 3.29Å; L126-M128 PolarHBondContact O-N 3.44Å; L126-Q129 WeakPolarHBondContact O-CB 3.41Å; L126-Q129 PolarHBondContact O-N 3.3Å; L126-Q129 VanDerWaalsContact O-N 3.08Å; L126-S133 PolarHBondContact O-OG 3.25Å; L126-R134 HydrophobicContact CB-CG 3.85Å; L126-R134 HydrophobicContact CD1-CG 4.19Å; L126-L137 HydrophobicContact CD1-CD1 3.93Å; L126-L137 HydrophobicContact CD2-CD1 4Å
127D69.1Low60.1Low89 Ų8994.8 Ų94.848%0.47649%0.486SS..Hα-helixtrans-65.3-33.2177-64.9-25.3000112.8P123 V125 Q129 R134P123-D127 VanDerWaalsContact O-CG 3.27Å; P123-D127 PolarHBondContact O-N 3.39Å; P123-D127 VanDerWaalsContact O-N 3.07Å; V125-D127 VanDerWaalsContact C-N 3.33Å; D127-Q129 VanDerWaalsContact C-N 3.27Å; D127-Q129 PolarHBondContact O-N 2.7Å; D127-R134 IonicContact OD1-CZ 3.01Å; D127-R134 IonicContact OD1-NE 2.8Å; D127-R134 PolarHBondContact OD1-NE 2.8Å; D127-R134 IonicContact OD1-NH2 2.8Å; D127-R134 PolarHBondContact OD1-NH2 2.68Å; D127-R134 IonicContact OD2-CZ 3.86Å; D127-R134 IonicContact OD2-NH2 2.68Å; D127-R134 PolarHBondContact OD2-NH2 2.71Å
128M69.4Low60Low118 Ų11891 Ų9158%0.58147%0.474SS*.Hα-helixtrans-70.9-22.9173.7-64.3-170.2-62.100112.9H124 V125 L126 G130H124-M128 PolarHBondContact O-N 3.49Å; V125-M128 HydrophobicContact CG1-CE 4.49Å; V125-M128 PolarHBondContact O-N 2.91Å; L126-M128 VanDerWaalsContact C-N 3.29Å; L126-M128 PolarHBondContact O-N 3.44Å; M128-G130 VanDerWaalsContact C-N 3.34Å
129Q63.5Low59.6Low83 Ų8396.5 Ų96.539%0.38848%0.481SS..Hα-helixtrans-81.3-12.7-178.6-167.6179.2-3.500112.8V125 L126 D127 W154V125-Q129 PolarHBondContact O-N 2.8Å; L126-Q129 WeakPolarHBondContact O-CB 3.41Å; L126-Q129 PolarHBondContact O-N 3.3Å; L126-Q129 VanDerWaalsContact O-N 3.08Å; D127-Q129 VanDerWaalsContact C-N 3.27Å; D127-Q129 PolarHBondContact O-N 2.7Å; Q129-W154 HydrophobicContact CG-CH2 4.46Å; Q129-W154 HydrophobicContact CG-CZ3 4.47Å
130G67.7Low59.3Low35 Ų3594 Ų9436%0.36148%0.476SS..  trans114.2177.3172.400000114.9M128 Q132 S133M128-G130 VanDerWaalsContact C-N 3.34Å; G130-Q132 PolarHBondContact O-N 3.41Å; G130-S133 PolarHBondContact O-N 3.36Å; G130-S133 PolarHBondContact O-OG 3.46Å
131K60.4Low58.8Low223 Ų22393.5 Ų93.597%0.9748%0.482SS*.THydrogen-bonded Turntrans-64.8-10.3-163.8-123.3172.3-177.8178.50116.2
132Q58.8Low58.2Low162 Ų16295.8 Ų95.876%0.75751%0.51SS*.THydrogen-bonded Turntrans-129.41-174.7-66.9179.9-17.600114.2G130 R134 A135 S136G130-Q132 PolarHBondContact O-N 3.41Å; Q132-R134 VanDerWaalsContact C-N 3.26Å; Q132-R134 PolarHBondContact O-N 2.63Å; Q132-A135 PolarHBondContact O-N 3.08Å; Q132-S136 PolarHBondContact O-N 3.46Å
133S57.5Low57.4Low8 Ų895.5 Ų95.56%0.05652%0.515CS..THydrogen-bonded Turntrans-59-36-178.957.70000113.1L126 G130 A135 S136L126-S133 PolarHBondContact O-OG 3.25Å; G130-S133 PolarHBondContact O-N 3.36Å; G130-S133 PolarHBondContact O-OG 3.46Å; S133-A135 VanDerWaalsContact C-N 3.26Å; S133-A135 PolarHBondContact O-N 3.07Å; S133-S136 PolarHBondContact O-OG 3.19Å
134R59.5Low56.8Low142 Ų14299.5 Ų99.554%0.53652%0.524SS..THydrogen-bonded Turntrans-68.1-24.9177.8-63.9-179173.5-153.5-1.8112.9L126 D127 Q132L126-R134 HydrophobicContact CB-CG 3.85Å; L126-R134 HydrophobicContact CD1-CG 4.19Å; D127-R134 IonicContact OD1-CZ 3.01Å; D127-R134 IonicContact OD1-NE 2.8Å; D127-R134 PolarHBondContact OD1-NE 2.8Å; D127-R134 IonicContact OD1-NH2 2.8Å; D127-R134 PolarHBondContact OD1-NH2 2.68Å; D127-R134 IonicContact OD2-CZ 3.86Å; D127-R134 IonicContact OD2-NH2 2.68Å; D127-R134 PolarHBondContact OD2-NH2 2.71Å; Q132-R134 VanDerWaalsContact C-N 3.26Å; Q132-R134 PolarHBondContact O-N 2.63Å
135A55.2Low55.8Low78 Ų78102.4 Ų102.465%0.64554%0.538SS*.THydrogen-bonded Turntrans-92.5-23.1-177.900000113Q132 S133 L137Q132-A135 PolarHBondContact O-N 3.08Å; S133-A135 VanDerWaalsContact C-N 3.26Å; S133-A135 PolarHBondContact O-N 3.07Å; A135-L137 VanDerWaalsContact C-N 3.34Å; A135-L137 PolarHBondContact O-N 3.34Å
136S53.1Low54.6Low66 Ų66105.5 Ų105.546%0.46255%0.553SS.*G310 helixtrans-82.8-5.7-176.375.40000114.6Q132 S133 A138Q132-S136 PolarHBondContact O-N 3.46Å; S133-S136 PolarHBondContact O-OG 3.19Å; S136-A138 VanDerWaalsContact C-N 3.31Å; S136-A138 PolarHBondContact O-N 3.32Å
137L54.7Low53.7Low71 Ų71110.8 Ų110.837%0.37259%0.586SS.*G310 helixtrans-75.3-17.2-178.7-69.2170000113.8L126 A135 W139L126-L137 HydrophobicContact CD1-CD1 3.93Å; L126-L137 HydrophobicContact CD2-CD1 4Å; A135-L137 VanDerWaalsContact C-N 3.34Å; A135-L137 PolarHBondContact O-N 3.34Å; L137-W139 PolarHBondContact O-N 2.9Å
138A48Very low52.7Low64 Ų64113.7 Ų113.753%0.52960%0.602SS.*G310 helixtrans-79.6-14.5-166.800000114.6S136S136-A138 VanDerWaalsContact C-N 3.31Å; S136-A138 PolarHBondContact O-N 3.32Å
139W43.7Very low51.7Low225 Ų225115.1 Ų115.185%0.85261%0.607SS**SBendtrans-143.82.5-164-64.8107.2000118.1L137 V141L137-W139 PolarHBondContact O-N 2.9Å; W139-V141 PolarHBondContact O-N 2.87Å
140H45.7Very low50.8Low118 Ų118119.5 Ų119.555%0.54662%0.62SS.*  trans-102.474.7175.9-74.4-77.6000111.3G142 D143H140-G142 VanDerWaalsContact C-N 3.32Å; H140-D143 IonicContact CG-OD2 3.73Å; H140-D143 IonicContact ND1-OD2 3.36Å; H140-D143 PolarHBondContact ND1-OD2 3.01Å
141V47.8Very low49.7Very low121 Ų121125 Ų12573%0.73364%0.641SS**  trans-75.1-24.8174.2-1780000111.4W139 D143W139-V141 PolarHBondContact O-N 2.87Å; V141-D143 PolarHBondContact O-N 2.83Å
142G47.1Very low49.4Very low70 Ų70117.4 Ų117.472%0.72262%0.616SS**THydrogen-bonded Turntrans-75.2-20.2-176.500000115.8H140H140-G142 VanDerWaalsContact C-N 3.32Å
143D47.4Very low49.2Very low127 Ų127118.2 Ų118.268%0.67962%0.617SS**THydrogen-bonded Turntrans-95.62.5-173.9-59.3-34.8000113.3H140 V141H140-D143 IonicContact CG-OD2 3.73Å; H140-D143 IonicContact ND1-OD2 3.36Å; H140-D143 PolarHBondContact ND1-OD2 3.01Å; V141-D143 PolarHBondContact O-N 2.83Å
144F47Very low49Very low167 Ų167124.2 Ų124.273%0.73264%0.639SS**  trans-112.312.4-172.3-90.3-81.3000115.1
145E44.7Very low48.8Very low155 Ų155118.7 Ų118.772%0.72462%0.62SS**  trans-10383.4177.1-69.4-76.716700109.9
146D42Very low49Very low84 Ų84119.6 Ų119.645%0.44961%0.614SS.*  trans-170.397.7139.6-156.1-9.2000109.1D148 Q149D146-D148 PolarHBondContact O-N 3.16Å; D146-Q149 HydrophobicContact CB-CB 4.41Å; D146-Q149 PolarHBondContact O-N 3.49Å; D146-Q149 WeakPolarHBondContact OD2-CG 3.47Å; D146-Q149 PolarHBondContact OD2-NE2 3.37Å
147T45.8Very low49.4Very low120 Ų120119.2 Ų119.274%0.73661%0.606SS**G310 helixtrans-66.7-19.8-178.214.10000113.5
148D46.7Very low49.5Very low151 Ų151117.3 Ų117.381%0.80760%0.597SS**G310 helixtrans-90.2-9.8-175.2-65.2-26.4000112.9D146D146-D148 PolarHBondContact O-N 3.16Å
149Q48.8Very low50.2Low148 Ų148123 Ų12369%0.69261%0.605SS**G310 helixtrans-104.636.3176.8-65-170.734.200113.6D146 N151D146-Q149 HydrophobicContact CB-CB 4.41Å; D146-Q149 PolarHBondContact O-N 3.49Å; D146-Q149 WeakPolarHBondContact OD2-CG 3.47Å; D146-Q149 PolarHBondContact OD2-NE2 3.37Å; Q149-N151 PolarHBondContact O-N 2.83Å
150R45.7Very low51.1Low174 Ų174117.2 Ų117.266%0.65759%0.587SS**  trans-73.241.7-171.4-137.5-168-176.71755.3116.1T155R150-T155 HydrophobicContact CG-CG2 4.04Å; R150-T155 PolarHBondContact O-OG1 2.87Å
151N44.5Very low51.7Low152 Ų152112.9 Ų112.981%0.81357%0.57SS**  trans-104.140.9170.1-72.7-27.3000111.9Q149Q149-N151 PolarHBondContact O-N 2.83Å
152S54.3Low52.1Low63 Ų63114.3 Ų114.344%0.44157%0.567SS.*  trans-67.7141.7168.471.40000109.4W154 T155S152-W154 PolarHBondContact O-N 3.28Å; S152-T155 PolarHBondContact O-N 2.85Å; S152-T155 PolarHBondContact O-OG1 3.47Å
153K54.3Low52.4Low178 Ų178115.7 Ų115.777%0.77457%0.566SS**Hα-helixtrans-51.7-21-178.5-64.8178.5179.6177.70113.5
154W52.2Low52.6Low135 Ų135113.4 Ų113.451%0.51156%0.56SS.*Hα-helixtrans-88.9-19.2-177-54.2107.6000114.6Q129 S152 I156 L157 V158Q129-W154 HydrophobicContact CG-CH2 4.46Å; Q129-W154 HydrophobicContact CG-CZ3 4.47Å; S152-W154 PolarHBondContact O-N 3.28Å; W154-I156 PolarHBondContact O-N 2.99Å; W154-L157 HydrophobicContact CD2-CD1 4.39Å; W154-L157 HydrophobicContact CE3-CD1 3.26Å; W154-L157 HydrophobicContact CZ3-CD1 3.38Å; W154-L157 PolarHBondContact O-N 3.17Å; W154-V158 PolarHBondContact O-N 2.98Å; W154-V158 VanDerWaalsContact O-N 3.14Å
155T55.6Low52.4Low25 Ų25111.6 Ų111.615%0.15356%0.557CS.*Hα-helixtrans-66.5-30.2172.851.30000112R150 S152 V158 R159R150-T155 HydrophobicContact CG-CG2 4.04Å; R150-T155 PolarHBondContact O-OG1 2.87Å; S152-T155 PolarHBondContact O-N 2.85Å; S152-T155 PolarHBondContact O-OG1 3.47Å; T155-V158 PolarHBondContact O-N 2.91Å; T155-R159 WeakPolarHBondContact O-CG 3.46Å; T155-R159 PolarHBondContact O-N 3.26Å
156I60.6Low52.2Low98 Ų98109.6 Ų109.650%0.50356%0.557SS.*Hα-helixtrans-62.8-45.7174.2-59170000110.1W154 V158 R159 Q160W154-I156 PolarHBondContact O-N 2.99Å; I156-V158 PolarHBondContact O-N 3.41Å; I156-R159 PolarHBondContact O-N 3.43Å; I156-Q160 HydrophobicContact CG2-CG 4.43Å; I156-Q160 WeakPolarHBondContact O-CB 3.48Å; I156-Q160 VanDerWaalsContact O-CG 3.28Å; I156-Q160 WeakPolarHBondContact O-CG 3.4Å; I156-Q160 PolarHBondContact O-N 3.14Å
157L60.2Low52.2Low58 Ų58117.8 Ų117.830%0.30458%0.582SS.*Hα-helixtrans-64.5-39.6177.5-81.9160.7000112.6W154 Q160 S161W154-L157 HydrophobicContact CD2-CD1 4.39Å; W154-L157 HydrophobicContact CE3-CD1 3.26Å; W154-L157 HydrophobicContact CZ3-CD1 3.38Å; W154-L157 PolarHBondContact O-N 3.17Å; L157-Q160 PolarHBondContact O-N 3.5Å; L157-S161 WeakPolarHBondContact O-CB 3.28Å; L157-S161 PolarHBondContact O-N 2.84Å
158V57.4Low51.9Low30 Ų30116.1 Ų116.118%0.18258%0.581CS.*Hα-helixtrans-65.7-41.3174.6174.20000111.1W119 V125 W154 T155 I156 S161 K162W119-V158 HydrophobicContact CH2-CG1 4.29Å; V125-V158 HydrophobicContact CG1-CG2 4.18Å; W154-V158 PolarHBondContact O-N 2.98Å; W154-V158 VanDerWaalsContact O-N 3.14Å; T155-V158 PolarHBondContact O-N 2.91Å; I156-V158 PolarHBondContact O-N 3.41Å; V158-S161 PolarHBondContact O-N 2.76Å; V158-S161 PolarHBondContact O-OG 3.22Å; V158-K162 WeakPolarHBondContact O-CG 3.42Å; V158-K162 PolarHBondContact O-N 2.95Å
159R62Low51.7Low184 Ų184114.7 Ų114.769%0.69458%0.582SS**Hα-helixtrans-64.2-42.8174.8-77.1-179.5178.3177.61.1111.7T155 I156 S161 K162 S163T155-R159 WeakPolarHBondContact O-CG 3.46Å; T155-R159 PolarHBondContact O-N 3.26Å; I156-R159 PolarHBondContact O-N 3.43Å; R159-S161 PolarHBondContact O-N 2.71Å; R159-K162 PolarHBondContact O-N 3.24Å; R159-K162 VanDerWaalsContact O-N 3.14Å; R159-S163 PolarHBondContact O-N 3.14Å; R159-S163 PolarHBondContact O-OG 3.47Å
160Q62.3Low51.7Low103 Ų103116.8 Ų116.848%0.48159%0.589SS.*Hα-helixtrans-62.1-41.2176.3-75.4174.9-13.600112.2I156 L157 K162 S163 S164I156-Q160 HydrophobicContact CG2-CG 4.43Å; I156-Q160 WeakPolarHBondContact O-CB 3.48Å; I156-Q160 VanDerWaalsContact O-CG 3.28Å; I156-Q160 WeakPolarHBondContact O-CG 3.4Å; I156-Q160 PolarHBondContact O-N 3.14Å; L157-Q160 PolarHBondContact O-N 3.5Å; Q160-K162 PolarHBondContact O-N 3.49Å; Q160-S163 WeakPolarHBondContact CA-OG 3.43Å; Q160-S163 PolarHBondContact O-N 3.29Å; Q160-S163 PolarHBondContact O-OG 3.41Å; Q160-S164 WeakPolarHBondContact O-CB 3.35Å; Q160-S164 PolarHBondContact O-N 3.36Å; Q160-S164 VanDerWaalsContact O-N 3.07Å; Q160-S164 PolarHBondContact O-OG 3.43Å; Q160-S164 VanDerWaalsContact O-OG 3.14Å
161S58.9Low51.4Low27 Ų27113.6 Ų113.619%0.18959%0.591CS.*Hα-helixtrans-63.9-27.6175.576.30000113.5L157 V158 R159L157-S161 WeakPolarHBondContact O-CB 3.28Å; L157-S161 PolarHBondContact O-N 2.84Å; V158-S161 PolarHBondContact O-N 2.76Å; V158-S161 PolarHBondContact O-OG 3.22Å; R159-S161 PolarHBondContact O-N 2.71Å
162K56.2Low51Low151 Ų151116.3 Ų116.366%0.65760%0.596SS**Hα-helixtrans-80.4-35.2175.9-73-179.5178.2-175.20112V158 R159 Q160 S164V158-K162 WeakPolarHBondContact O-CG 3.42Å; V158-K162 PolarHBondContact O-N 2.95Å; R159-K162 PolarHBondContact O-N 3.24Å; R159-K162 VanDerWaalsContact O-N 3.14Å; Q160-K162 PolarHBondContact O-N 3.49Å; K162-S164 VanDerWaalsContact C-N 3.32Å
163S54.2Low50.3Low100 Ų100121.4 Ų121.470%0.69961%0.614SS**Hα-helixtrans-73.7-22.5176.151.80000113.4R159 Q160R159-S163 PolarHBondContact O-N 3.14Å; R159-S163 PolarHBondContact O-OG 3.47Å; Q160-S163 WeakPolarHBondContact CA-OG 3.43Å; Q160-S163 PolarHBondContact O-N 3.29Å; Q160-S163 PolarHBondContact O-OG 3.41Å
164S51.3Low49.9Very low79 Ų79120.3 Ų120.355%0.55262%0.617SS**THydrogen-bonded Turntrans-101.129-173.472.60000114.4Q160 K162 P166Q160-S164 WeakPolarHBondContact O-CB 3.35Å; Q160-S164 PolarHBondContact O-N 3.36Å; Q160-S164 VanDerWaalsContact O-N 3.07Å; Q160-S164 PolarHBondContact O-OG 3.43Å; Q160-S164 VanDerWaalsContact O-OG 3.14Å; K162-S164 VanDerWaalsContact C-N 3.32Å; S164-P166 WeakPolarHBondContact O-CD 2.89Å
165L42.8Very low49.4Very low129 Ų129119.8 Ų119.868%0.67563%0.63SS**  trans-84.2102.8173.3-78167.5000110.3R167L165-R167 PolarHBondContact O-N 2.83Å
166P40.8Very low49.3Very low113 Ų113128.4 Ų128.473%0.73467%0.666SS**  trans-68.5125.9156.429.3-31.3000107.9S164 A168S164-P166 WeakPolarHBondContact O-CD 2.89Å; P166-A168 VanDerWaalsContact C-N 3.31Å; P166-A168 PolarHBondContact O-N 3.23Å
167R41.4Very low48.5Very low255 Ų255131.3 Ų131.396%0.96268%0.681SS**SBendtrans-58.386.5169.6-176.7-176-168.5178.23.5110.2L165L165-R167 PolarHBondContact O-N 2.83Å
168A38.7Very low47.9Very low86 Ų86134.2 Ų134.271%0.71170%0.704SS**  trans-169.5103.9157.400000110.6P166 K170P166-A168 VanDerWaalsContact C-N 3.31Å; P166-A168 PolarHBondContact O-N 3.23Å; A168-K170 PolarHBondContact O-N 3.3Å
169S43.2Very low47.7Very low121 Ų121142.7 Ų142.785%0.84674%0.738SS**  trans-63.2112.4166.448.50000110.1
170K48.2Very low47Very low192 Ų192143.8 Ų143.884%0.83575%0.748SS**  trans-84.2126.5157.1-85.7-179.4176.4176.70108A168 F172A168-K170 PolarHBondContact O-N 3.3Å; K170-F172 PolarHBondContact O-N 3.07Å
171P39.7Very low46.4Very low106 Ų106147.7 Ų147.769%0.68877%0.766SS**  trans-67.8135.5176.526.7-30.7000109.9M173P171-M173 PolarHBondContact O-N 2.85Å
172F37.6Very low45.9Very low210 Ų210156.1 Ų156.192%0.92180%0.799SS**  trans-62.5112.7172.3-103.5-96000109K170 L174K170-F172 PolarHBondContact O-N 3.07Å; F172-L174 PolarHBondContact O-N 3.05Å
173M39.8Very low45.5Very low169 Ų169158.4 Ų158.483%0.83381%0.81SS**  trans-74.8112.4169.2-73.6-73.617400108.4P171P171-M173 PolarHBondContact O-N 2.85Å
174L45.2Very low45Very low156 Ų156165.3 Ų165.382%0.81782%0.82SS**PPolyproline II helixtrans-61.3140.4170.9-75.8162.1000110.2F172 K176F172-L174 PolarHBondContact O-N 3.05Å; L174-K176 PolarHBondContact O-N 3.14Å
175P41.2Very low44.9Very low123 Ų123171.2 Ų171.280%0.79984%0.836SS**PPolyproline II helixtrans-66.4128.4176.425.8-30.9000110.4
176K53Low45Very low206 Ų206177.7 Ų177.790%0.89686%0.862SS**PPolyproline II helixtrans-72.4129.8-179.9-68.8178.8-179.5174.80110.5L174L174-K176 PolarHBondContact O-N 3.14Å
177L43.8Very low45.2Very low159 Ų159181 Ų18183%0.83287%0.869SS**PPolyproline II helixtrans-60.8142.8171.7-83.2159.5000111.5
178P49.2Very low45.4Very low120 Ų120177.1 Ų177.178%0.77986%0.864SS**PPolyproline II helixtrans-70.4134.5178.127.5-31.9000111.6
179K51.9Low45.8Very low208 Ų208182.1 Ų182.190%0.90487%0.872SS**PPolyproline II helixtrans-74.4127.4177.3-70.5179177179.20110.2E181K179-E181 PolarHBondContact O-N 2.86Å
180K47.4Very low46Very low207 Ų207185.7 Ų185.790%0.987%0.874SS**PPolyproline II helixtrans-64.4122.7170-90.6-178.1172.4176.70110.5
181E49.4Very low45.8Very low184 Ų184185.3 Ų185.386%0.8688%0.876SS**PPolyproline II helixtrans-67.4125.8165.8-74.5-177.1151.300110.5K179 K183K179-E181 PolarHBondContact O-N 2.86Å; E181-K183 PolarHBondContact O-N 3.35Å
182K48.1Very low46.2Very low204 Ų204190.6 Ų190.689%0.88789%0.889SS**  trans-84.5108.1167.1-73.5-176.1176.8-179.30108.3R184K182-R184 PolarHBondContact O-N 3.39Å
183K48.2Very low46.9Very low200 Ų200189.2 Ų189.287%0.8789%0.886SS**PPolyproline II helixtrans-63.4123.1167.2-74.1-175.1175.5-177.10109.4E181E181-K183 PolarHBondContact O-N 3.35Å
184R43.8Very low47.4Very low244 Ų244190.8 Ų190.892%0.92189%0.891SS**PPolyproline II helixtrans-70.6128.2167.5-69.7-178.7173-175.1-2.9108.2K182K182-R184 PolarHBondContact O-N 3.39Å
185K49.9Very low47.6Very low204 Ų204193.7 Ų193.789%0.88790%0.897SS**PPolyproline II helixtrans-86.2133.7165.5-75.5-174.7174.9-175.50107.9
186H45.3Very low48.2Very low265 Ų265200.1 Ų200.1100%1.22791%0.906SS**  trans-63.90165.1-92.4-85.5000110.7

Retrieved 186 of 186 residues in 130.9 ms (Link to these results)