A0A096NN39_PAPAN Loading...

Small ribosomal subunit protein uS11m

AlphaFold DB , UniProt , Accession A0A096NN39, Species PAPAN (Papio anubis, Olive baboon), Gene MRPS11, Length 194 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M44.4Very low43.6Very low252 Ų252163.5 Ų163.5100%1.24186%0.857SS**  0119.90-83.2170.2162.200108.3
2Q45.6Very low43.8Very low187 Ų187162.7 Ų162.787%0.87485%0.852SS**  trans-76151.9175.3-72.5167.4-15.500111.5
3A46.8Very low43.6Very low97 Ų97168.2 Ų168.280%0.80286%0.855SS**  trans-175102142.500000105.8
4V49.3Very low43.6Very low118 Ų118163.4 Ų163.472%0.71584%0.844SS**  46.4113.966.9-170.90000113.9
5R48Very low43.1Very low239 Ų239167.2 Ų167.290%0.90284%0.843SS**  trans159.5143139.6-87159.8-175.4-154.11.9108.3
6N42Very low43Very low153 Ų153164.1 Ų164.182%0.81884%0.835SS**  cis-165.5156.1-20.5-158.95.1000105.9
7V45.3Very low42.8Very low140 Ų140169.1 Ų169.185%0.84884%0.842SS**  trans-80.8155.9-177170.90000111.8
8G38.8Very low43.1Very low67 Ų67165.9 Ų165.969%0.69184%0.836SS**  trans160.793.7158.900000112
9S40.9Very low43.4Very low108 Ų108167.2 Ų167.276%0.75584%0.838SS**  79116.583.7-174.50000114.1
10W40.6Very low43.6Very low242 Ų242165.8 Ų165.892%0.91784%0.839SS**  trans-62.5146171.1-70.717.8000112.7
11F37.8Very low43.7Very low196 Ų196164.6 Ų164.686%0.8684%0.84SS**  trans-149.1136.7154-111-79.9000111.7
12L46.2Very low43.6Very low153 Ų153156 Ų15680%0.80182%0.816SS**  trans-58.4154.3178.9-72.275.4000113
13R41.3Very low43.4Very low235 Ų235153.8 Ų153.889%0.88782%0.815SS**  trans-159131.3133.1-108.2161.3-170.3-92.61.1112.1
14S43.1Very low43.4Very low100 Ų100155.5 Ų155.570%0.69982%0.815SS**  trans-61.6165169.3460000112.5
15W37Very low43Very low221 Ų221154.1 Ų154.184%0.83782%0.816SS**  trans-176.2104.3140.5-96.523000108.9
16T41.3Very low43Very low117 Ų117153.9 Ų153.972%0.71882%0.816SS**  58.7110.7105.461.10000115.3
17W39.2Very low43.2Very low249 Ų249152.6 Ų152.694%0.94381%0.813SS**PPolyproline II helixtrans-73.6151.9168-81.453000112
18P48.1Very low43.1Very low113 Ų113151.2 Ų151.273%0.73481%0.807SS**PPolyproline II helixtrans-98.8138.3152.428.3-15.9000111.6
19Q49.8Very low43.6Very low189 Ų189152.8 Ų152.888%0.88381%0.813SS**PPolyproline II helixtrans-76.3143.4168.3-65.5-143.3-18.500111
20T47.8Very low43.6Very low140 Ų140159 Ų15986%0.85982%0.82SS**  trans-127.6143.9154.641.40000110.2
21T44.1Very low43.7Very low140 Ų140152.6 Ų152.686%0.85981%0.808SS**  trans-74.7142.3-161.741.10000114.6
22G42.8Very low44.2Very low71 Ų71150.1 Ų150.173%0.73280%0.802SS**  74.4118.1125.600000118.7
23V40.5Very low44.3Very low141 Ų141150 Ų15086%0.85580%0.797SS**  166.5125.9104.7161.40000107.6A25V23-A25 PolarHBondContact O-N 3.04Å
24V47.7Very low44.9Very low134 Ų134142.6 Ų142.681%0.81278%0.778SS**  trans-75112.4173.5173.10000108.5R26V24-R26 HydrophobicContact CG1-CG 4.45Å
25A40.7Very low45.1Very low89 Ų89142.9 Ų142.974%0.73677%0.772SS**  trans-102.6104157.800000108.2V23V23-A25 PolarHBondContact O-N 3.04Å
26R48.7Very low45.9Very low234 Ų234135.5 Ų135.588%0.88376%0.758SS**  trans-74.5122.8161.1-93-179.7165.4-179.5-3.8107.7V24V24-R26 HydrophobicContact CG1-CG 4.45Å
27T45.9Very low46.5Very low126 Ų126138.5 Ų138.577%0.77376%0.756SS**  trans-162.3159.4157.713.50000109.2
28P42Very low47.2Very low111 Ų111132.8 Ų132.872%0.72174%0.74SS**  -84.6165.2-112.136.6-36.6000113R30P28-R30 PolarHBondContact O-N 3.25Å
29A50Low47.4Very low99 Ų99133.4 Ų133.482%0.81874%0.736SS**  trans-46.8112.7165.400000109.7T31A29-T31 PolarHBondContact O-N 3.44Å
30R40.1Very low47.8Very low239 Ų239130.3 Ų130.390%0.90272%0.722SS**  trans-69.9103.5163.1-84.6-174.6173.5-177.6-1.6106P28 I32P28-R30 PolarHBondContact O-N 3.25Å; R30-I32 PolarHBondContact O-N 3.27Å
31T44Very low48.1Very low107 Ų107128.1 Ų128.166%0.65671%0.705SS**  trans-32.9123.2157.339.30000110.2A29 H33A29-T31 PolarHBondContact O-N 3.44Å; T31-H33 PolarHBondContact O-N 3.42Å
32I48.5Very low48.7Very low144 Ų144123.5 Ų123.574%0.73868%0.681SS**  trans-63.784.4168.4-59167000106.6R30R30-I32 PolarHBondContact O-N 3.27Å
33H47.8Very low49.4Very low150 Ų150122 Ų12269%0.69466%0.662SS**  trans-137.291.6170.3-74.6-46.2000106.2T31T31-H33 PolarHBondContact O-N 3.42Å
34T53.7Low50.1Low80 Ų80117.3 Ų117.349%0.49164%0.638SS.*  15548.4122.453.90000111.5A36 Q38T34-A36 VanDerWaalsContact C-N 3.34Å; T34-Q38 PolarHBondContact O-N 3.16Å
35D46.5Very low50.3Low106 Ų106118 Ų11857%0.56763%0.63SS**Hα-helixtrans-74.5-25.5176-68.3-42.4000112.7L39D35-L39 WeakPolarHBondContact O-CB 3.35Å; D35-L39 WeakPolarHBondContact O-CD1 3.14Å; D35-L39 VanDerWaalsContact O-CG 3.23Å; D35-L39 WeakPolarHBondContact O-CG 3.39Å; D35-L39 PolarHBondContact O-N 3.11Å
36A53.7Low50.7Low66 Ų66119.9 Ų119.955%0.54562%0.623SS.*Hα-helixtrans-75.1-39.4-179.700000113.1T34 Q40T34-A36 VanDerWaalsContact C-N 3.34Å; A36-Q40 WeakPolarHBondContact O-CB 3.37Å; A36-Q40 WeakPolarHBondContact O-CG 3.1Å; A36-Q40 PolarHBondContact O-N 3.07Å; A36-Q40 VanDerWaalsContact O-N 3.16Å
37R54.5Low50.7Low181 Ų181114 Ų11468%0.68361%0.606SS**Hα-helixtrans-78.2-38.2-178.6-84.8-175178.2173.8-0.9112.8L39 Q40 D41R37-L39 VanDerWaalsContact C-N 3.34Å; R37-L39 PolarHBondContact O-N 3.45Å; R37-Q40 CarbonylContact O-C 3.51Å; R37-Q40 PolarHBondContact O-N 3.4Å; R37-D41 WeakPolarHBondContact O-CB 3.33Å; R37-D41 PolarHBondContact O-N 2.76Å
38Q53.3Low50.8Low128 Ų128112.6 Ų112.660%0.59859%0.594SS**Hα-helixtrans-68.2-33.3176.7-83.8-179.5-27.600112.8T34 A42T34-Q38 PolarHBondContact O-N 3.16Å; Q38-A42 WeakPolarHBondContact O-CB 3.31Å; Q38-A42 PolarHBondContact O-N 3.47Å
39L53.6Low51Low126 Ų126114.2 Ų114.266%0.6659%0.592SS**Hα-helixtrans-70.7-34.1171.7-71.4172.8000111.9D35 R37 A43D35-L39 WeakPolarHBondContact O-CB 3.35Å; D35-L39 WeakPolarHBondContact O-CD1 3.14Å; D35-L39 VanDerWaalsContact O-CG 3.23Å; D35-L39 WeakPolarHBondContact O-CG 3.39Å; D35-L39 PolarHBondContact O-N 3.11Å; R37-L39 VanDerWaalsContact C-N 3.34Å; R37-L39 PolarHBondContact O-N 3.45Å; L39-A43 WeakPolarHBondContact O-CB 3.39Å; L39-A43 PolarHBondContact O-N 3.2Å
40Q58.5Low50.7Low124 Ų124116.7 Ų116.758%0.57959%0.586SS**Hα-helixtrans-73.6-37.2174.7-74.7169.8-6.700112.7A36 R37 A44A36-Q40 WeakPolarHBondContact O-CB 3.37Å; A36-Q40 WeakPolarHBondContact O-CG 3.1Å; A36-Q40 PolarHBondContact O-N 3.07Å; A36-Q40 VanDerWaalsContact O-N 3.16Å; R37-Q40 CarbonylContact O-C 3.51Å; R37-Q40 PolarHBondContact O-N 3.4Å; Q40-A44 WeakPolarHBondContact O-CB 3.21Å; Q40-A44 PolarHBondContact O-N 2.76Å
41D54.4Low51Low95 Ų95112.7 Ų112.751%0.50858%0.576SS.*Hα-helixtrans-75.9-29.8176.3-67.3-30.4000111.5R37 K45R37-D41 WeakPolarHBondContact O-CB 3.33Å; R37-D41 PolarHBondContact O-N 2.76Å; D41-K45 VanDerWaalsContact O-CB 3.23Å; D41-K45 WeakPolarHBondContact O-CB 3.34Å; D41-K45 WeakPolarHBondContact O-CG 3.23Å; D41-K45 PolarHBondContact O-N 3.47Å
42A56.3Low51Low43 Ų43116.5 Ų116.536%0.35558%0.583SS.*Hα-helixtrans-75.8-39.4170.900000111.6Q38 K45 Q46Q38-A42 WeakPolarHBondContact O-CB 3.31Å; Q38-A42 PolarHBondContact O-N 3.47Å; A42-K45 PolarHBondContact O-N 2.79Å; A42-Q46 VanDerWaalsContact O-CB 3.28Å; A42-Q46 WeakPolarHBondContact O-CB 3.31Å; A42-Q46 WeakPolarHBondContact O-CG 3.27Å; A42-Q46 PolarHBondContact O-N 3.27Å
43A56.4Low50.5Low40 Ų40113 Ų11333%0.33158%0.575SS.*Hα-helixtrans-66.4-40.8171.600000111.4L39 Q46 E47L39-A43 WeakPolarHBondContact O-CB 3.39Å; L39-A43 PolarHBondContact O-N 3.2Å; A43-Q46 CarbonylContact O-C 3.55Å; A43-Q46 PolarHBondContact O-N 2.88Å; A43-E47 WeakPolarHBondContact O-CB 3.26Å; A43-E47 VanDerWaalsContact O-CG 3.31Å; A43-E47 WeakPolarHBondContact O-CG 3.18Å; A43-E47 PolarHBondContact O-N 2.84Å
44A55.6Low50Low41 Ų41109.3 Ų109.334%0.33957%0.571SS.*Hα-helixtrans-67.1-37.7174.800000111.9Q40 E47 D48Q40-A44 WeakPolarHBondContact O-CB 3.21Å; Q40-A44 PolarHBondContact O-N 2.76Å; A44-E47 PolarHBondContact O-N 3.44Å; A44-D48 WeakPolarHBondContact O-CB 3.27Å; A44-D48 VanDerWaalsContact O-CG 3.3Å; A44-D48 PolarHBondContact O-N 3.42Å
45K51.3Low49.6Very low149 Ų149110.3 Ų110.365%0.64858%0.579SS**Hα-helixtrans-68.1-34.1171-81.4175.5178.2177.30112.9D41 A42 E49D41-K45 VanDerWaalsContact O-CB 3.23Å; D41-K45 WeakPolarHBondContact O-CB 3.34Å; D41-K45 WeakPolarHBondContact O-CG 3.23Å; D41-K45 PolarHBondContact O-N 3.47Å; A42-K45 PolarHBondContact O-N 2.79Å; K45-E49 WeakPolarHBondContact O-CB 3.5Å; K45-E49 WeakPolarHBondContact O-CG 3.47Å; K45-E49 PolarHBondContact O-N 3.48Å
46Q50.5Low49.6Very low129 Ų129109.8 Ų109.860%0.60358%0.583SS**Hα-helixtrans-71.5-36.2174-77.5176.6-17.600111.5A42 A43 E50A42-Q46 VanDerWaalsContact O-CB 3.28Å; A42-Q46 WeakPolarHBondContact O-CB 3.31Å; A42-Q46 WeakPolarHBondContact O-CG 3.27Å; A42-Q46 PolarHBondContact O-N 3.27Å; A43-Q46 CarbonylContact O-C 3.55Å; A43-Q46 PolarHBondContact O-N 2.88Å; Q46-E50 VanDerWaalsContact O-CB 3.28Å; Q46-E50 WeakPolarHBondContact O-CB 3.44Å; Q46-E50 PolarHBondContact O-N 3.18Å
47E48.4Very low49.6Very low109 Ų109114.8 Ų114.851%0.50960%0.595SS.*Hα-helixtrans-69.9-34.8173.1-74.7179.9-16100112.5A43 A44 K51A43-E47 WeakPolarHBondContact O-CB 3.26Å; A43-E47 VanDerWaalsContact O-CG 3.31Å; A43-E47 WeakPolarHBondContact O-CG 3.18Å; A43-E47 PolarHBondContact O-N 2.84Å; A44-E47 PolarHBondContact O-N 3.44Å; E47-K51 VanDerWaalsContact O-CB 3.29Å; E47-K51 WeakPolarHBondContact O-CB 3.15Å; E47-K51 WeakPolarHBondContact O-CG 3.32Å; E47-K51 PolarHBondContact O-N 3.44Å
48D47.5Very low50.3Low98 Ų98111.7 Ų111.752%0.52460%0.597SS.*Hα-helixtrans-75.5-30.9175.5-76.2-24.4000112.7A44 K52A44-D48 WeakPolarHBondContact O-CB 3.27Å; A44-D48 VanDerWaalsContact O-CG 3.3Å; A44-D48 PolarHBondContact O-N 3.42Å; D48-K52 WeakPolarHBondContact O-CG 3.29Å; D48-K52 PolarHBondContact O-N 3.06Å
49E47.3Very low51.9Low145 Ų145116.7 Ų116.768%0.67861%0.61SS**Hα-helixtrans-78.6-35.6171-74.7-165.8169.200112.3K45 K52 A53K45-E49 WeakPolarHBondContact O-CB 3.5Å; K45-E49 WeakPolarHBondContact O-CG 3.47Å; K45-E49 PolarHBondContact O-N 3.48Å; E49-K52 CarbonylContact O-C 3.56Å; E49-K52 WeakPolarHBondContact O-CA 3.31Å; E49-K52 PolarHBondContact O-N 2.98Å; E49-K52 VanDerWaalsContact O-N 3.13Å; E49-A53 WeakPolarHBondContact O-CB 3.21Å; E49-A53 PolarHBondContact O-N 2.84Å
50E43.6Very low53.5Low150 Ų150119.3 Ų119.370%0.70162%0.616SS**Hα-helixtrans-68.9-35172.1-86.7-174144.600112.4Q46 K52 A53Q46-E50 VanDerWaalsContact O-CB 3.28Å; Q46-E50 WeakPolarHBondContact O-CB 3.44Å; Q46-E50 PolarHBondContact O-N 3.18Å; E50-K52 PolarHBondContact O-N 3.3Å; E50-A53 PolarHBondContact O-N 3.19Å
51K46.3Very low55.1Low156 Ų156116.6 Ų116.668%0.67861%0.611SS**THydrogen-bonded Turntrans-68-21.6169.8-76.5171.3-173.3160.80112.9E47E47-K51 VanDerWaalsContact O-CB 3.29Å; E47-K51 WeakPolarHBondContact O-CB 3.15Å; E47-K51 WeakPolarHBondContact O-CG 3.32Å; E47-K51 PolarHBondContact O-N 3.44Å
52K42.5Very low56.9Low187 Ų187119.6 Ų119.681%0.81363%0.625SS**THydrogen-bonded Turntrans-90.8-11.3171.4-81.6178.1177173.30113.9D48 E49 E50D48-K52 WeakPolarHBondContact O-CG 3.29Å; D48-K52 PolarHBondContact O-N 3.06Å; E49-K52 CarbonylContact O-C 3.56Å; E49-K52 WeakPolarHBondContact O-CA 3.31Å; E49-K52 PolarHBondContact O-N 2.98Å; E49-K52 VanDerWaalsContact O-N 3.13Å; E50-K52 PolarHBondContact O-N 3.3Å
53A39Very low58.6Low70 Ų70126.6 Ų126.658%0.57964%0.644SS**  trans-115.829.1-171.800000114.1E49 E50 P55E49-A53 WeakPolarHBondContact O-CB 3.21Å; E49-A53 PolarHBondContact O-N 2.84Å; E50-A53 PolarHBondContact O-N 3.19Å; A53-P55 VanDerWaalsContact O-CD 3.23Å; A53-P55 WeakPolarHBondContact O-CD 3.42Å
54A37.5Very low60.2Low72 Ų72128.6 Ų128.660%0.59565%0.654SS**  trans-75.2116.215400000107.5S56A54-S56 PolarHBondContact O-N 2.88Å
55P44.4Very low62Low102 Ų102128.3 Ų128.366%0.66265%0.648SS**  trans-65.89216229-30.6000105.4A53 H57A53-P55 VanDerWaalsContact O-CD 3.23Å; A53-P55 WeakPolarHBondContact O-CD 3.42Å; P55-H57 PolarHBondContact O-N 3.18Å
56S47.7Very low63.9Low95 Ų95126.5 Ų126.566%0.66465%0.645SS**  trans-71.372.2172.660.60000107.3A54 T58A54-S56 PolarHBondContact O-N 2.88Å; S56-T58 PolarHBondContact O-N 3.15Å
57H52.8Low65.6Low170 Ų170125 Ų12579%0.78765%0.646SS**  trans-6378.9154.8-65.1-63.7000105.5P55 R59P55-H57 PolarHBondContact O-N 3.18Å; H57-R59 VanDerWaalsContact C-N 3.26Å; H57-R59 PolarHBondContact O-N 2.97Å
58T69.8Low67.4Low117 Ų117123.8 Ų123.872%0.71866%0.663SS**  trans-57.2103.3164.5440000104.2S56 F60S56-T58 PolarHBondContact O-N 3.15Å; T58-F60 PolarHBondContact O-N 3.24Å; T58-F60 VanDerWaalsContact O-N 3.15Å
59R86.8Confident69.4Low233 Ų233125.8 Ų125.888%0.87967%0.669SS**PPolyproline II helixtrans-55124.5-178.5-178.8176.9179.8167.40.4106.9H57 S61H57-R59 VanDerWaalsContact C-N 3.26Å; H57-R59 PolarHBondContact O-N 2.97Å; R59-S61 PolarHBondContact O-N 2.69Å; R59-S61 VanDerWaalsContact O-N 3.11Å
60F87.8Confident71.3Confident180 Ų180127.4 Ų127.479%0.78968%0.677SS**PPolyproline II helixtrans-52.4121.6177.3176.4-95.9000109.6T58 I62T58-F60 PolarHBondContact O-N 3.24Å; T58-F60 VanDerWaalsContact O-N 3.15Å; F60-I62 HydrophobicContact CE1-CG1 4.24Å
61S90.4Very high73.4Confident68 Ų68121.9 Ų121.948%0.47666%0.655SS.*PPolyproline II helixtrans-98.1137.6176.2-179.10000109.4R59 Y63R59-S61 PolarHBondContact O-N 2.69Å; R59-S61 VanDerWaalsContact O-N 3.11Å; S61-Y63 VanDerWaalsContact C-N 3.29Å; S61-Y63 PolarHBondContact OG-N 3.5Å
62I92.3Very high75.4Confident157 Ų157119.8 Ų119.881%0.80566%0.66SS**SBendtrans-79.2-19.8175.8-58.8170.7000110.7F60F60-I62 HydrophobicContact CE1-CG1 4.24Å
63Y91.7Very high77.7Confident190 Ų190115.3 Ų115.375%0.74564%0.644SS**SBendtrans-75.2144.3-178.4-61.1-72000111.5S61S61-Y63 VanDerWaalsContact C-N 3.29Å; S61-Y63 PolarHBondContact OG-N 3.5Å
64P91.5Very high80.3Confident83 Ų83118 Ų11854%0.53964%0.639SS.*PPolyproline II helixtrans-66.6152.9176.629.9-35000111I66 F80P64-I66 PolarHBondContact O-N 3.41Å; P64-F80 HydrophobicContact CB-CE1 4.02Å; P64-F80 HydrophobicContact CB-CZ 4.02Å
65P92.1Very high83.1Confident34 Ų34116.8 Ų116.822%0.22162%0.62CS.*PPolyproline II helixtrans-63.2136.9172.427.4-33.1000110.3F80P65-F80 HydrophobicContact CG-CB 3.48Å; P65-F80 VanDerWaalsContact CG-CB 3.48Å; P65-F80 HydrophobicContact CG-CD1 3.85Å; P65-F80 HydrophobicContact CG-CD2 4.17Å; P65-F80 HydrophobicContact CG-CG 3.58Å
66I91.1Very high85.4Confident111 Ų111115.5 Ų115.557%0.56962%0.617SS**PPolyproline II helixtrans-74.6132.6-178-56.4172000108.5P64 G68 E69P64-I66 PolarHBondContact O-N 3.41Å; I66-G68 PolarHBondContact O-N 3.13Å; I66-E69 PolarHBondContact O-N 3.37Å
67P87.8Confident87.6Confident98 Ų98113.9 Ų113.964%0.63662%0.615SS**THydrogen-bonded Turntrans-64.1134.4174.527.4-34.3000110.6E81P67-E81 WeakPolarHBondContact CA-OE1 3.07Å; P67-E81 VanDerWaalsContact CB-OE1 3.31Å; P67-E81 WeakPolarHBondContact CB-OE1 3.19Å
68G85.2Confident89.5Confident84 Ų84110.5 Ų110.587%0.86660%0.598SS**THydrogen-bonded Turntrans94.2-18.8-179.300000115.2I66I66-G68 PolarHBondContact O-N 3.13Å
69E89Confident90.7Very high140 Ų140108.8 Ų108.865%0.65458%0.581SS**SBendtrans-94.7132.5167.9-168.7173.6178.800109.3I66 S71I66-E69 PolarHBondContact O-N 3.37Å; E69-S71 PolarHBondContact O-N 3.31Å; E69-S71 VanDerWaalsContact O-N 3.11Å
70E87.5Confident91.1Very high178 Ų17899 Ų9983%0.83255%0.545SS*.  trans-72.5109.8-177.4-67.5-153.4148.300111.5
71S88.1Confident91.4Very high34 Ų3495.1 Ų95.124%0.23853%0.529CS..  trans-88.3136.6171.670.20000111.9E69 L73E69-S71 PolarHBondContact O-N 3.31Å; E69-S71 VanDerWaalsContact O-N 3.11Å; S71-L73 VanDerWaalsContact C-N 3.26Å; S71-L73 PolarHBondContact O-N 2.93Å
72S89.3Confident91.7Very high113 Ų11396.5 Ų96.579%0.7953%0.528SS*.  trans-73-15.9171.957.90000113.8R74S72-R74 PolarHBondContact O-N 2.91Å
73L91.1Very high91.9Very high92 Ų9289.1 Ų89.148%0.48249%0.49SS..  trans-66.9126.1-179.6-66.4169.7000111.6S71 W75S71-L73 VanDerWaalsContact C-N 3.26Å; S71-L73 PolarHBondContact O-N 2.93Å; L73-W75 HydrophobicContact CB-CH2 3.73Å; L73-W75 HydrophobicContact CB-CZ2 4.2Å; L73-W75 HydrophobicContact CB-CZ3 4.02Å; L73-W75 HydrophobicContact CD1-CH2 4.23Å; L73-W75 HydrophobicContact CD1-CZ2 4.5Å
74R92.9Very high92.2Very high126 Ų12680.7 Ų80.748%0.47546%0.459SS..  trans-135.8140.3178.2-60.1-63.8171.5131.82.4110.4S72 K78S72-R74 PolarHBondContact O-N 2.91Å; R74-K78 WeakPolarHBondContact CA-O 3.34Å
75W95Very high92.5Very high48 Ų4878 Ų7818%0.18244%0.44CS..BIsolated β-bridgetrans-124.4114.6177.1-60.8-90.4000108.8L73 G77 K78 F80 I83 H146 I173L73-W75 HydrophobicContact CB-CH2 3.73Å; L73-W75 HydrophobicContact CB-CZ2 4.2Å; L73-W75 HydrophobicContact CB-CZ3 4.02Å; L73-W75 HydrophobicContact CD1-CH2 4.23Å; L73-W75 HydrophobicContact CD1-CZ2 4.5Å; W75-G77 PolarHBondContact O-N 3.43Å; W75-K78 PolarHBondContact N-O 2.82Å; W75-K78 VanDerWaalsContact N-O 3.15Å; W75-K78 WeakPolarHBondContact O-CB 3.28Å; W75-K78 PolarHBondContact O-N 2.78Å; W75-F80 HydrophobicContact CH2-CB 4.21Å; W75-F80 AromaticContact CH2-CD2 3.73Å; W75-F80 HydrophobicContact CH2-CD2 3.73Å; W75-F80 HydrophobicContact CH2-CG 4.41Å; W75-F80 HydrophobicContact CZ3-CB 3.68Å; W75-F80 AromaticContact CZ3-CD2 3.85Å; W75-F80 HydrophobicContact CZ3-CD2 3.85Å; W75-F80 HydrophobicContact CZ3-CG 4.26Å; W75-I83 HydrophobicContact CB-CD1 3.94Å; W75-I83 HydrophobicContact CD2-CD1 3.75Å; W75-I83 HydrophobicContact CE3-CD1 3.4Å; W75-I83 HydrophobicContact CG-CD1 4.04Å; W75-I83 HydrophobicContact CZ3-CD1 4.09Å; W75-H146 AromaticContact CD1-CD2 3.98Å; W75-I173 HydrophobicContact CB-CD1 3.79Å; W75-I173 HydrophobicContact CD2-CD1 3.66Å; W75-I173 HydrophobicContact CD2-CG1 4.44Å; W75-I173 HydrophobicContact CD2-CG2 4.24Å; W75-I173 VanDerWaalsContact CE2-CG2 3.45Å; W75-I173 HydrophobicContact CE3-CD1 4.47Å; W75-I173 HydrophobicContact CG-CD1 3.33Å; W75-I173 HydrophobicContact CG-CG1 4.14Å; W75-I173 HydrophobicContact CH2-CG2 4.17Å; W75-I173 HydrophobicContact CZ2-CG2 3.4Å
76A93.4Very high92.8Very high74 Ų7476.4 Ų76.461%0.61243%0.43SS*.THydrogen-bonded Turntrans48.140.7-168.500000113.3K78A76-K78 PolarHBondContact O-N 3.24Å
77G93.4Very high93.2Very high61 Ų6174.6 Ų74.663%0.62942%0.418SS*.THydrogen-bonded Turntrans77-7.3-178.400000115.6W75W75-G77 PolarHBondContact O-N 3.43Å
78K94.3Very high93.7Very high99 Ų9970 Ų7043%0.4339%0.388SS..BIsolated β-bridgetrans-88.6148.7-177.7-60.9-178.9-178.8-179.90112.3R74 W75 A76 E82R74-K78 WeakPolarHBondContact CA-O 3.34Å; W75-K78 PolarHBondContact N-O 2.82Å; W75-K78 VanDerWaalsContact N-O 3.15Å; W75-K78 WeakPolarHBondContact O-CB 3.28Å; W75-K78 PolarHBondContact O-N 2.78Å; A76-K78 PolarHBondContact O-N 3.24Å; K78-E82 WeakPolarHBondContact CA-OE2 3.39Å; K78-E82 HydrophobicContact CB-CB 4.29Å
79K94.7Very high94.3Very high81 Ų8171.1 Ų71.135%0.35237%0.37SS..  trans-71.9159.5169.7-66.4-177.5178.1-175.20110.4E81 E82 I83K79-E81 PolarHBondContact O-N 2.95Å; K79-E82 HydrophobicContact CB-CG 4.3Å; K79-E82 PolarHBondContact N-OE2 2.87Å; K79-E82 PolarHBondContact O-N 3.45Å; K79-I83 WeakPolarHBondContact O-CG1 3.23Å
80F95.3Very high94.8Very high28 Ų2864.6 Ų64.612%0.12334%0.339CS..G310 helixtrans-53.9-38.3177.6-175.5-108.3000113.5P64 P65 W75 E82 I83 R148 I173P64-F80 HydrophobicContact CB-CE1 4.02Å; P64-F80 HydrophobicContact CB-CZ 4.02Å; P65-F80 HydrophobicContact CG-CB 3.48Å; P65-F80 VanDerWaalsContact CG-CB 3.48Å; P65-F80 HydrophobicContact CG-CD1 3.85Å; P65-F80 HydrophobicContact CG-CD2 4.17Å; P65-F80 HydrophobicContact CG-CG 3.58Å; W75-F80 HydrophobicContact CH2-CB 4.21Å; W75-F80 AromaticContact CH2-CD2 3.73Å; W75-F80 HydrophobicContact CH2-CD2 3.73Å; W75-F80 HydrophobicContact CH2-CG 4.41Å; W75-F80 HydrophobicContact CZ3-CB 3.68Å; W75-F80 AromaticContact CZ3-CD2 3.85Å; W75-F80 HydrophobicContact CZ3-CD2 3.85Å; W75-F80 HydrophobicContact CZ3-CG 4.26Å; F80-E82 VanDerWaalsContact C-N 3.35Å; F80-E82 PolarHBondContact O-N 2.83Å; F80-I83 PolarHBondContact O-N 3.39Å; F80-R148 HydrophobicContact CE2-CG 3.98Å; F80-R148 VanDerWaalsContact CZ-CD 3.44Å; F80-R148 HydrophobicContact CZ-CG 4.19Å; F80-R148 WeakPolarHBondContact O-CD 3.39Å; F80-R148 VanDerWaalsContact O-CZ 3.24Å; F80-R148 PolarHBondContact O-NE 3.14Å; F80-R148 PolarHBondContact O-NH1 3.02Å; F80-I173 HydrophobicContact CE2-CG2 4.33Å
81E94.4Very high95.2Very high98 Ų9858.8 Ų58.846%0.45832%0.318SS..G310 helixtrans-67.3-34.2-177-65.1166.5178.100112.9P67 K79 I83 A102 R148P67-E81 WeakPolarHBondContact CA-OE1 3.07Å; P67-E81 VanDerWaalsContact CB-OE1 3.31Å; P67-E81 WeakPolarHBondContact CB-OE1 3.19Å; K79-E81 PolarHBondContact O-N 2.95Å; E81-I83 VanDerWaalsContact C-N 3.27Å; E81-I83 PolarHBondContact O-N 2.78Å; E81-A102 VanDerWaalsContact O-CB 3.27Å; E81-A102 WeakPolarHBondContact O-CB 3.47Å; E81-R148 PolarHBondContact O-NH2 3.44Å
82E95.6Very high95.7Very high97 Ų9765 Ų6545%0.45334%0.338SS..G310 helixtrans-78.7-12.5-176.8-64.6166.2-170.700112.7K78 K79 F80K78-E82 WeakPolarHBondContact CA-OE2 3.39Å; K78-E82 HydrophobicContact CB-CB 4.29Å; K79-E82 HydrophobicContact CB-CG 4.3Å; K79-E82 PolarHBondContact N-OE2 2.87Å; K79-E82 PolarHBondContact O-N 3.45Å; F80-E82 VanDerWaalsContact C-N 3.35Å; F80-E82 PolarHBondContact O-N 2.83Å
83I97.1Very high96.1Very high2 Ų265.5 Ų65.51%0.0133%0.332CS..SBendtrans-72.2132.1-176.4-62174.2000109.5W75 K79 F80 E81 H146 R148 I173W75-I83 HydrophobicContact CB-CD1 3.94Å; W75-I83 HydrophobicContact CD2-CD1 3.75Å; W75-I83 HydrophobicContact CE3-CD1 3.4Å; W75-I83 HydrophobicContact CG-CD1 4.04Å; W75-I83 HydrophobicContact CZ3-CD1 4.09Å; K79-I83 WeakPolarHBondContact O-CG1 3.23Å; F80-I83 PolarHBondContact O-N 3.39Å; E81-I83 VanDerWaalsContact C-N 3.27Å; E81-I83 PolarHBondContact O-N 2.78Å; I83-H146 HydrophobicContact CG2-CB 4.29Å; I83-H146 WeakPolarHBondContact CG2-O 3.41Å; I83-R148 HydrophobicContact CB-CG 4.14Å; I83-R148 HydrophobicContact CG2-CG 3.86Å; I83-R148 PolarHBondContact O-NE 3.25Å; I83-R148 PolarHBondContact O-NH2 3.4Å; I83-I173 HydrophobicContact CD1-CD1 3.37Å; I83-I173 HydrophobicContact CG1-CD1 4.48Å; I83-I173 HydrophobicContact CG2-CD1 4.13Å
84P98Very high96.4Very high13 Ų1362.5 Ų62.58%0.08432%0.316CS..  trans-62.6153.7179.524.5-31.8000111.9V100 L107 V144 H146 I147 R148P84-V100 CarbonylContact C-O 3.52Å; P84-V100 VanDerWaalsContact CA-O 3.27Å; P84-V100 WeakPolarHBondContact CA-O 3.48Å; P84-V100 WeakPolarHBondContact CB-O 3.46Å; P84-L107 HydrophobicContact CB-CD1 4.28Å; P84-V144 HydrophobicContact CB-CG1 4.47Å; P84-V144 HydrophobicContact CG-CG1 3.52Å; P84-V144 HydrophobicContact CG-CG2 4.3Å; P84-H146 WeakPolarHBondContact CD-O 3.48Å; P84-H146 VanDerWaalsContact CG-O 3.29Å; P84-H146 WeakPolarHBondContact CG-O 3.41Å; P84-I147 HydrophobicContact CG-CG2 4.32Å; P84-I147 WeakPolarHBondContact O-CA 3.06Å; P84-R148 PolarHBondContact O-N 2.8Å
85I98.3Very high96.7Very high28 Ų2856.5 Ų56.514%0.14429%0.293CS..EExtended strand (participates in β ladder)trans-108.5129-173.5-53.9171.9000109V99 V100 R148 V150I85-V99 CarbonylContact O-C 3.46Å; I85-V99 WeakPolarHBondContact O-CA 3.4Å; I85-V100 PolarHBondContact N-O 2.82Å; I85-V100 PolarHBondContact O-N 2.76Å; I85-R148 CarbonylContact C-O 3.43Å; I85-R148 VanDerWaalsContact CA-O 3.32Å; I85-R148 WeakPolarHBondContact CA-O 3.32Å; I85-V150 HydrophobicContact CG2-CB 4.25Å; I85-V150 HydrophobicContact CG2-CG2 3.58Å
86A98.4Very high96.8Very high0 Ų057.6 Ų57.60%030%0.301CS..EExtended strand (participates in β ladder)trans-100.2101.6171.200000109.6I88 V99 I147 R148 V149 V150 L165A86-I88 PolarHBondContact O-N 3.44Å; A86-V99 HydrophobicContact CB-CG2 4.34Å; A86-I147 HydrophobicContact CB-CB 4.34Å; A86-I147 HydrophobicContact CB-CD1 3.78Å; A86-R148 PolarHBondContact N-O 2.91Å; A86-V149 HydrophobicContact CB-CG2 4.36Å; A86-V150 PolarHBondContact O-N 3.06Å; A86-L165 HydrophobicContact CB-CD1 4.16Å
87H98.6Very high97.1Very high72 Ų7254.2 Ų54.233%0.33327%0.272SS..EExtended strand (participates in β ladder)trans-80.8116.4174-67.2-72.2000110.6I97 Q98 V150H87-I97 WeakPolarHBondContact O-CA 3.45Å; H87-Q98 PolarHBondContact N-O 3.48Å; H87-Q98 PolarHBondContact O-N 3.28Å; H87-V150 WeakPolarHBondContact CA-O 3.44Å
88I98.4Very high97.3Very high2 Ų254.3 Ų54.31%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-110.2114.4177.1-56.2178.2000108.6A86 T95 I97 V149 V150 V151 K152 A161 I162 L165A86-I88 PolarHBondContact O-N 3.44Å; I88-T95 HydrophobicContact CG2-CG2 4.09Å; I88-I97 HydrophobicContact CG1-CG1 4.47Å; I88-I97 HydrophobicContact CG1-CG2 4.48Å; I88-V149 HydrophobicContact CD1-CG1 3.56Å; I88-V149 HydrophobicContact CG1-CG1 4.19Å; I88-V150 PolarHBondContact N-O 3.43Å; I88-V151 CarbonylContact O-C 3.52Å; I88-V151 WeakPolarHBondContact O-CA 3.41Å; I88-K152 PolarHBondContact O-N 2.96Å; I88-A161 HydrophobicContact CD1-CB 4.14Å; I88-A161 HydrophobicContact CG2-CB 3.91Å; I88-I162 HydrophobicContact CD1-CG1 3.7Å; I88-L165 HydrophobicContact CD1-CD1 3.78Å; I88-L165 HydrophobicContact CG1-CD1 4.37Å
89K98.4Very high97.5Very high108 Ų10849.6 Ų49.647%0.4724%0.236SC..EExtended strand (participates in β ladder)trans-98.498.8171.3-174.3-179.7179.2179.90109.5S91 T95 Q96 K152K89-S91 PolarHBondContact O-N 3.15Å; K89-T95 WeakPolarHBondContact O-CA 3.43Å; K89-Q96 HydrophobicContact CB-CB 4.35Å; K89-Q96 PolarHBondContact N-O 3.06Å; K89-Q96 PolarHBondContact O-N 2.95Å; K89-Q96 VanDerWaalsContact O-N 3.07Å; K89-K152 CarbonylContact C-O 3.58Å; K89-K152 WeakPolarHBondContact CA-O 3.47Å
90A97.9Very high97.7Very high2 Ų246.2 Ų46.22%0.01722%0.222CC..EExtended strand (participates in β ladder)trans-91.592.4177.300000110K152 G153 G155 R158A90-K152 PolarHBondContact N-O 3.43Å; A90-G153 CarbonylContact O-C 3.5Å; A90-G153 WeakPolarHBondContact O-CA 3.4Å; A90-G155 WeakPolarHBondContact O-CA 3.49Å; A90-G155 PolarHBondContact O-N 2.84Å; A90-R158 HydrophobicContact CB-CB 3.92Å
91S97.6Very high97.8Very high56 Ų5645.9 Ų45.939%0.39222%0.223SC..  trans-92.7166.3171.1-1680000110.4K89 N93 N94K89-S91 PolarHBondContact O-N 3.15Å; S91-N93 VanDerWaalsContact C-N 3.27Å; S91-N93 PolarHBondContact O-N 3.27Å; S91-N94 CarbonylContact C-O 3.56Å; S91-N94 WeakPolarHBondContact CA-O 3.44Å; S91-N94 WeakPolarHBondContact CB-O 3.39Å; S91-N94 PolarHBondContact N-O 3.21Å; S91-N94 VanDerWaalsContact O-O 3.12Å
92Y97.3Very high97.8Very high166 Ų16643.1 Ų43.165%0.65122%0.217SC*.SBendtrans-61.8-33.7178.4-62-70.2000113.1
93N97.5Very high97.8Very high123 Ų12343 Ų4366%0.65823%0.227SC*.SBendtrans-110.8-1.3-171.4-59.3-17.9000113.8S91 K122S91-N93 VanDerWaalsContact C-N 3.27Å; S91-N93 PolarHBondContact O-N 3.27Å; N93-K122 WeakPolarHBondContact O-CB 3.46Å
94N97.9Very high97.7Very high28 Ų2848.8 Ų48.815%0.1526%0.258CS..  trans-166.4152.1-177.2-161.810000111S91 C112S91-N94 CarbonylContact C-O 3.56Å; S91-N94 WeakPolarHBondContact CA-O 3.44Å; S91-N94 WeakPolarHBondContact CB-O 3.39Å; S91-N94 PolarHBondContact N-O 3.21Å; S91-N94 VanDerWaalsContact O-O 3.12Å; N94-C112 WeakPolarHBondContact OD1-CB 3.36Å
95T98.4Very high97.7Very high0 Ų054 Ų540%028%0.281CS..EExtended strand (participates in β ladder)trans-122.4127.9169.6-50.60000109.2I88 K89 I97 S111 C112 A128 G157 A161I88-T95 HydrophobicContact CG2-CG2 4.09Å; K89-T95 WeakPolarHBondContact O-CA 3.43Å; T95-I97 HydrophobicContact CG2-CG1 4.49Å; T95-S111 WeakPolarHBondContact O-CA 3.46Å; T95-C112 PolarHBondContact O-N 2.82Å; T95-C112 VanDerWaalsContact O-N 3.15Å; T95-A128 HydrophobicContact CG2-CB 4.08Å; T95-G157 WeakPolarHBondContact OG1-CA 3.29Å; T95-A161 HydrophobicContact CG2-CB 4.04Å
96Q98.3Very high97.6Very high72 Ų7257 Ų5734%0.33630%0.302SS..EExtended strand (participates in β ladder)trans-120.2135.5179.3-59.2174.8-0.700108.7K89K89-Q96 HydrophobicContact CB-CB 4.35Å; K89-Q96 PolarHBondContact N-O 3.06Å; K89-Q96 PolarHBondContact O-N 2.95Å; K89-Q96 VanDerWaalsContact O-N 3.07Å
97I98.4Very high97.6Very high2 Ų258.7 Ų58.71%0.0131%0.311CS..EExtended strand (participates in β ladder)trans-126.8128.7-176.9-55.2172.2000107.8H87 I88 T95 R109 A110 A131 G132 A135 A161 L165H87-I97 WeakPolarHBondContact O-CA 3.45Å; I88-I97 HydrophobicContact CG1-CG1 4.47Å; I88-I97 HydrophobicContact CG1-CG2 4.48Å; T95-I97 HydrophobicContact CG2-CG1 4.49Å; I97-R109 WeakPolarHBondContact O-CA 3.44Å; I97-A110 PolarHBondContact N-O 3.1Å; I97-A110 PolarHBondContact O-N 3.24Å; I97-A131 HydrophobicContact CD1-CB 4.31Å; I97-G132 VanDerWaalsContact CD1-CA 3.44Å; I97-A135 HydrophobicContact CB-CB 4.2Å; I97-A135 HydrophobicContact CG2-CB 3.8Å; I97-A161 HydrophobicContact CD1-CB 3.78Å; I97-A161 HydrophobicContact CG1-CB 4.39Å; I97-L165 HydrophobicContact CG2-CD2 4.21Å
98Q98.4Very high97.5Very high64 Ų6455.6 Ų55.630%0.29930%0.298SS..EExtended strand (participates in β ladder)trans-133.8120176.1-173.9174.6-10.100109.2H87 V100 A108 R109H87-Q98 PolarHBondContact N-O 3.48Å; H87-Q98 PolarHBondContact O-N 3.28Å; Q98-V100 HydrophobicContact CG-CG2 3.81Å; Q98-A108 CarbonylContact C-O 3.58Å; Q98-A108 WeakPolarHBondContact CA-O 3.46Å; Q98-R109 VanDerWaalsContact OE1-NH1 3.11Å
99V98.2Very high97.5Very high0 Ų063 Ų630%033%0.325CS..EExtended strand (participates in β ladder)trans-96.5130.5174.5-173.60000108.2I85 A86 L107 A108 A139 I147I85-V99 CarbonylContact O-C 3.46Å; I85-V99 WeakPolarHBondContact O-CA 3.4Å; A86-V99 HydrophobicContact CB-CG2 4.34Å; V99-L107 HydrophobicContact CG1-CB 4.43Å; V99-L107 HydrophobicContact CG1-CD1 4.47Å; V99-L107 PolarHBondContact O-N 3.37Å; V99-A108 HydrophobicContact CB-CB 4.11Å; V99-A108 HydrophobicContact CG2-CB 4.24Å; V99-A108 PolarHBondContact N-O 3.34Å; V99-A108 PolarHBondContact O-N 3.19Å; V99-A108 VanDerWaalsContact O-N 3.15Å; V99-A139 HydrophobicContact CB-CB 4.43Å; V99-A139 HydrophobicContact CG1-CB 4.24Å; V99-A139 HydrophobicContact CG2-CB 4.32Å; V99-I147 HydrophobicContact CG1-CG2 4.5Å
100V98.4Very high97.4Very high10 Ų1057.9 Ų57.96%0.06130%0.303CS..EExtended strand (participates in β ladder)trans-134.2144.4-172.3-171.80000108.9P84 I85 Q98 N104 E105P84-V100 CarbonylContact C-O 3.52Å; P84-V100 VanDerWaalsContact CA-O 3.27Å; P84-V100 WeakPolarHBondContact CA-O 3.48Å; P84-V100 WeakPolarHBondContact CB-O 3.46Å; I85-V100 PolarHBondContact N-O 2.82Å; I85-V100 PolarHBondContact O-N 2.76Å; Q98-V100 HydrophobicContact CG-CG2 3.81Å; V100-N104 HydrophobicContact CG1-CB 4.37Å; V100-E105 CarbonylContact C-O 3.58Å; V100-E105 VanDerWaalsContact CA-O 3.26Å; V100-E105 WeakPolarHBondContact CA-O 3.46Å; V100-E105 VanDerWaalsContact CG1-O 3.31Å; V100-E105 WeakPolarHBondContact CG1-O 3.48Å
101S97.4Very high97.5Very high21 Ų2158.8 Ų58.815%0.14731%0.31CS..  trans-69168.917271.50000111.9S103 N104 E105S101-S103 PolarHBondContact O-N 3.42Å; S101-S103 PolarHBondContact OG-N 2.96Å; S101-N104 PolarHBondContact O-N 3.13Å; S101-E105 PolarHBondContact N-O 2.95Å; S101-E105 WeakPolarHBondContact OG-CB 3.21Å; S101-E105 PolarHBondContact OG-N 3.46Å; S101-E105 VanDerWaalsContact OG-N 3.07Å
102A95.1Very high97.5Very high40 Ų4056.1 Ų56.133%0.33129%0.291SS..THydrogen-bonded Turntrans-59.2-30.5172.800000112.5E81 N104E81-A102 VanDerWaalsContact O-CB 3.27Å; E81-A102 WeakPolarHBondContact O-CB 3.47Å; A102-N104 PolarHBondContact O-N 3.13Å
103S95.4Very high97.5Very high94 Ų9450 Ų5066%0.65728%0.278SS*.THydrogen-bonded Turntrans-79.811.9175.6-48.20000113.8S101 E105S101-S103 PolarHBondContact O-N 3.42Å; S101-S103 PolarHBondContact OG-N 2.96Å; S103-E105 VanDerWaalsContact C-N 3.34Å; S103-E105 PolarHBondContact O-N 3.43Å
104N95.5Very high97.5Very high124 Ų12448.4 Ų48.466%0.66327%0.273SS*.SBendtrans65.524.9-178.1-63.3-62.5000115.9V100 S101 A102V100-N104 HydrophobicContact CG1-CB 4.37Å; S101-N104 PolarHBondContact O-N 3.13Å; A102-N104 PolarHBondContact O-N 3.13Å
105E97.3Very high97.5Very high121 Ų12150.1 Ų50.157%0.56528%0.28SS*.  trans-89.2131.5176.6-57.1174.1167.400111.5V100 S101 S103 L107V100-E105 CarbonylContact C-O 3.58Å; V100-E105 VanDerWaalsContact CA-O 3.26Å; V100-E105 WeakPolarHBondContact CA-O 3.46Å; V100-E105 VanDerWaalsContact CG1-O 3.31Å; V100-E105 WeakPolarHBondContact CG1-O 3.48Å; S101-E105 PolarHBondContact N-O 2.95Å; S101-E105 WeakPolarHBondContact OG-CB 3.21Å; S101-E105 PolarHBondContact OG-N 3.46Å; S101-E105 VanDerWaalsContact OG-N 3.07Å; S103-E105 VanDerWaalsContact C-N 3.34Å; S103-E105 PolarHBondContact O-N 3.43Å; E105-L107 PolarHBondContact O-N 3.4Å
106P97.4Very high97.4Very high91 Ų9152.6 Ų52.659%0.59131%0.306SS*.EExtended strand (participates in β ladder)trans-73.7117.4-176.929.3-34.1000112.1
107L96.7Very high97.4Very high37 Ų3751.8 Ų51.819%0.19430%0.302CS..EExtended strand (participates in β ladder)trans-93.8-51.4178.7-60.4177.6000111.4P84 V99 E105 K142 V144P84-L107 HydrophobicContact CB-CD1 4.28Å; V99-L107 HydrophobicContact CG1-CB 4.43Å; V99-L107 HydrophobicContact CG1-CD1 4.47Å; V99-L107 PolarHBondContact O-N 3.37Å; E105-L107 PolarHBondContact O-N 3.4Å; L107-K142 HydrophobicContact CB-CD 4.11Å; L107-K142 HydrophobicContact CD2-CD 4.19Å; L107-K142 VanDerWaalsContact O-CD 3.32Å; L107-K142 WeakPolarHBondContact O-CD 3.41Å; L107-K142 WeakPolarHBondContact O-CE 3.47Å; L107-K142 PolarHBondContact O-NZ 3.16Å; L107-V144 HydrophobicContact CD1-CG2 3.59Å
108A97.4Very high97.3Very high6 Ų661.1 Ų61.15%0.0534%0.337CS..EExtended strand (participates in β ladder)trans-139.7149.2-178.800000111.3Q98 V99 A135 K138 A139Q98-A108 CarbonylContact C-O 3.58Å; Q98-A108 WeakPolarHBondContact CA-O 3.46Å; V99-A108 HydrophobicContact CB-CB 4.11Å; V99-A108 HydrophobicContact CG2-CB 4.24Å; V99-A108 PolarHBondContact N-O 3.34Å; V99-A108 PolarHBondContact O-N 3.19Å; V99-A108 VanDerWaalsContact O-N 3.15Å; A108-A135 WeakPolarHBondContact CB-O 3.49Å; A108-K138 HydrophobicContact CB-CB 3.75Å; A108-A139 HydrophobicContact CB-CB 4.12Å
109R97.6Very high97.3Very high157 Ų15764.3 Ų64.359%0.59236%0.356SS*.EExtended strand (participates in β ladder)trans-140.4131.9173.5-169.5179.4178.3105.2-4.4109.5I97 Q98 K138I97-R109 WeakPolarHBondContact O-CA 3.44Å; Q98-R109 VanDerWaalsContact OE1-NH1 3.11Å; R109-K138 PolarHBondContact O-NZ 3.06Å
110A98.1Very high97.1Very high1 Ų169.3 Ų69.31%0.00839%0.391CS..EExtended strand (participates in β ladder)trans-147.7159170.900000110I97 A131 A134 A135I97-A110 PolarHBondContact N-O 3.1Å; I97-A110 PolarHBondContact O-N 3.24Å; A110-A131 WeakPolarHBondContact CB-O 3.46Å; A110-A134 HydrophobicContact CB-CB 4.43Å; A110-A135 HydrophobicContact CB-CB 3.86Å
111S98.3Very high97.1Very high21 Ų2175.5 Ų75.515%0.14742%0.417CS..EExtended strand (participates in β ladder)trans-152.8162.6174.466.90000109.9T95 G113 T114 E115T95-S111 WeakPolarHBondContact O-CA 3.46Å; S111-G113 PolarHBondContact O-N 2.75Å; S111-T114 PolarHBondContact N-OG1 2.77Å; S111-T114 PolarHBondContact O-N 3.17Å; S111-T114 PolarHBondContact O-OG1 2.82Å; S111-T114 PolarHBondContact OG-N 2.75Å; S111-E115 PolarHBondContact O-N 2.9Å
112C98.3Very high97.1Very high0 Ų077.3 Ų77.30%042%0.422CS..THydrogen-bonded Turntrans-54.1-33.3176.1-54.20000112.4N94 T95 F117 K122 A127N94-C112 WeakPolarHBondContact OD1-CB 3.36Å; T95-C112 PolarHBondContact O-N 2.82Å; T95-C112 VanDerWaalsContact O-N 3.15Å; C112-F117 VanDerWaalsContact O-CB 3.31Å; C112-F117 WeakPolarHBondContact O-CB 3.33Å; C112-F117 WeakPolarHBondContact O-CD2 3.23Å; C112-F117 PolarHBondContact O-N 2.83Å; C112-F117 VanDerWaalsContact O-N 3.14Å; C112-K122 HydrophobicContact CB-CB 3.87Å; C112-K122 HydrophobicContact CB-CG 4.09Å; C112-K122 PolarHBondContact SG-O 2.81Å; C112-A127 HydrophobicContact CB-CB 3.93Å
113G97.6Very high97.1Very high37 Ų3776.1 Ų76.138%0.38141%0.414SS..THydrogen-bonded Turntrans-71.4-33.9177.700000114.5S111 E115 G116S111-G113 PolarHBondContact O-N 2.75Å; G113-E115 VanDerWaalsContact C-N 3.33Å; G113-G116 PolarHBondContact O-N 3.49Å
114T97.4Very high97.2Very high91 Ų9174.3 Ų74.356%0.55840%0.399SS*.THydrogen-bonded Turntrans-73.3-29.7178.354.30000111.7S111 G116S111-T114 PolarHBondContact N-OG1 2.77Å; S111-T114 PolarHBondContact O-N 3.17Å; S111-T114 PolarHBondContact O-OG1 2.82Å; S111-T114 PolarHBondContact OG-N 2.75Å; T114-G116 PolarHBondContact O-N 2.8Å
115E97.2Very high97.3Very high63 Ų6369.5 Ų69.529%0.29438%0.379SS..THydrogen-bonded Turntrans-799174.4-53-43.9124.200113.2S111 G113 F117 T130 A131 A134S111-E115 PolarHBondContact O-N 2.9Å; G113-E115 VanDerWaalsContact C-N 3.33Å; E115-F117 HydrophobicContact CB-CD2 4.07Å; E115-F117 HydrophobicContact CB-CE2 4.11Å; E115-T130 HydrophobicContact CB-CG2 4.22Å; E115-T130 HydrophobicContact CG-CG2 4.3Å; E115-A131 HydrophobicContact CG-CB 4.11Å; E115-A134 VanDerWaalsContact CD-CB 3.45Å; E115-A134 HydrophobicContact CG-CB 4.35Å; E115-A134 WeakPolarHBondContact OE1-CB 3.28Å; E115-A134 WeakPolarHBondContact OE2-CB 3.44Å
116G97.4Very high97.4Very high53 Ų5369.5 Ų69.555%0.54638%0.381SS..THydrogen-bonded Turntrans90.5-1.7173.100000115.8G113 T114G113-G116 PolarHBondContact O-N 3.49Å; T114-G116 PolarHBondContact O-N 2.8Å
117F97.9Very high97.4Very high54 Ų5465.1 Ų65.124%0.23735%0.353CS..  trans-71135.3175.2-61.5-92.6000110.8C112 E115 K121 K122 A127 T130C112-F117 VanDerWaalsContact O-CB 3.31Å; C112-F117 WeakPolarHBondContact O-CB 3.33Å; C112-F117 WeakPolarHBondContact O-CD2 3.23Å; C112-F117 PolarHBondContact O-N 2.83Å; C112-F117 VanDerWaalsContact O-N 3.14Å; E115-F117 HydrophobicContact CB-CD2 4.07Å; E115-F117 HydrophobicContact CB-CE2 4.11Å; F117-K121 HydrophobicContact CD1-CB 4.25Å; F117-K122 HydrophobicContact CB-CG 3.9Å; F117-K122 VanDerWaalsContact O-CD 3.31Å; F117-K122 WeakPolarHBondContact O-CD 3.4Å; F117-K122 WeakPolarHBondContact O-CG 3.43Å; F117-A127 HydrophobicContact CB-CB 4.23Å; F117-A127 HydrophobicContact CD1-CB 3.76Å; F117-A127 HydrophobicContact CD2-CB 3.67Å; F117-A127 HydrophobicContact CE1-CB 3.96Å; F117-A127 HydrophobicContact CE2-CB 3.88Å; F117-A127 HydrophobicContact CG-CB 3.6Å; F117-A127 HydrophobicContact CZ-CB 4.02Å; F117-T130 HydrophobicContact CE2-CG2 4.15Å
118R97.1Very high97.5Very high199 Ų19963.4 Ų63.475%0.75134%0.344SS*.  trans-114.8149.4-179.4-61.9-174.2-179.1-173.60.2111.5S120 K121R118-S120 PolarHBondContact O-N 3.05Å; R118-K121 WeakPolarHBondContact O-CB 3.41Å; R118-K121 PolarHBondContact O-N 2.87Å; R118-K121 VanDerWaalsContact O-N 3.16Å
119N96.8Very high97.5Very high130 Ų13066.3 Ų66.370%0.69536%0.357SS*.G310 helixtrans50.3-131.3171.7-56.4-21.2000113.3K121 K122N119-K121 PolarHBondContact O-N 2.87Å; N119-K122 WeakPolarHBondContact O-CB 3.35Å; N119-K122 WeakPolarHBondContact O-CE 3.49Å; N119-K122 PolarHBondContact O-N 2.9Å; N119-K122 VanDerWaalsContact O-N 3.12Å
120S95.8Very high97.6Very high105 Ų10561.5 Ų61.573%0.73434%0.344SS*.G310 helixtrans-57-30.3-178.551.20000113.3R118 K122 G123R118-S120 PolarHBondContact O-N 3.05Å; S120-K122 PolarHBondContact O-N 2.87Å; S120-K122 VanDerWaalsContact O-N 3.15Å; S120-G123 PolarHBondContact O-N 2.86Å
121K96.9Very high97.6Very high140 Ų14061.4 Ų61.461%0.60934%0.344SS*.G310 helixtrans-63.2-22.7179.6-58.2-176.1178.1-177.60112.6F117 R118 N119 G123 T124 A127F117-K121 HydrophobicContact CD1-CB 4.25Å; R118-K121 WeakPolarHBondContact O-CB 3.41Å; R118-K121 PolarHBondContact O-N 2.87Å; R118-K121 VanDerWaalsContact O-N 3.16Å; N119-K121 PolarHBondContact O-N 2.87Å; K121-G123 VanDerWaalsContact C-N 3.29Å; K121-G123 PolarHBondContact O-N 3.25Å; K121-T124 PolarHBondContact O-N 2.9Å; K121-T124 PolarHBondContact O-OG1 3.32Å; K121-A127 WeakPolarHBondContact O-CB 3.13Å
122K97.7Very high97.6Very high59 Ų5960.4 Ų60.426%0.25734%0.337SS..G310 helixtrans-68.7-24.8175.2-65.3-174.6-61.5-172.30113.9N93 C112 F117 N119 S120 T124N93-K122 WeakPolarHBondContact O-CB 3.46Å; C112-K122 HydrophobicContact CB-CB 3.87Å; C112-K122 HydrophobicContact CB-CG 4.09Å; C112-K122 PolarHBondContact SG-O 2.81Å; F117-K122 HydrophobicContact CB-CG 3.9Å; F117-K122 VanDerWaalsContact O-CD 3.31Å; F117-K122 WeakPolarHBondContact O-CD 3.4Å; F117-K122 WeakPolarHBondContact O-CG 3.43Å; N119-K122 WeakPolarHBondContact O-CB 3.35Å; N119-K122 WeakPolarHBondContact O-CE 3.49Å; N119-K122 PolarHBondContact O-N 2.9Å; N119-K122 VanDerWaalsContact O-N 3.12Å; S120-K122 PolarHBondContact O-N 2.87Å; S120-K122 VanDerWaalsContact O-N 3.15Å; K122-T124 PolarHBondContact O-N 3Å
123G95.9Very high97.6Very high16 Ų1663 Ų6317%0.16535%0.353CS..G310 helixtrans-86.618.8178.900000113.5S120 K121 P156S120-G123 PolarHBondContact O-N 2.86Å; K121-G123 VanDerWaalsContact C-N 3.29Å; K121-G123 PolarHBondContact O-N 3.25Å; G123-P156 WeakPolarHBondContact O-CG 3.37Å
124T97.8Very high97.6Very high56 Ų5662 Ų6234%0.34434%0.341SS..SBendtrans-102.7153.1-178.264.50000111.4K121 K122 I126 A127 A128K121-T124 PolarHBondContact O-N 2.9Å; K121-T124 PolarHBondContact O-OG1 3.32Å; K122-T124 PolarHBondContact O-N 3Å; T124-I126 VanDerWaalsContact C-N 3.31Å; T124-I126 PolarHBondContact O-N 2.85Å; T124-A127 PolarHBondContact O-N 2.93Å; T124-A127 WeakPolarHBondContact OG1-CB 3.35Å; T124-A127 PolarHBondContact OG1-N 3.28Å; T124-A128 PolarHBondContact O-N 2.81Å
125G97.6Very high97.6Very high23 Ų2357.7 Ų57.724%0.23732%0.315CS..Hα-helixtrans-62.3-36.9176.100000112.8A127 A128 Q129 S160G125-A127 PolarHBondContact O-N 3.26Å; G125-A128 WeakPolarHBondContact O-CB 3.44Å; G125-A128 PolarHBondContact O-N 2.94Å; G125-Q129 WeakPolarHBondContact O-CB 3.32Å; G125-Q129 PolarHBondContact O-N 2.87Å; G125-S160 WeakPolarHBondContact CA-OG 3.38Å; G125-S160 WeakPolarHBondContact O-CB 3.14Å
126I98Very high97.7Very high120 Ų12054.7 Ų54.762%0.61530%0.301SS*.Hα-helixtrans-59.7-48.6177.1-60.5174.1000110.3T124 A128 Q129 T130T124-I126 VanDerWaalsContact C-N 3.31Å; T124-I126 PolarHBondContact O-N 2.85Å; I126-A128 VanDerWaalsContact C-N 3.28Å; I126-A128 PolarHBondContact O-N 2.88Å; I126-Q129 PolarHBondContact O-N 3.36Å; I126-T130 PolarHBondContact O-N 2.91Å; I126-T130 PolarHBondContact O-OG1 3.33Å
127A98.1Very high97.7Very high0 Ų054.3 Ų54.30%029%0.292CS..Hα-helixtrans-61.8-37178.500000112.5C112 F117 K121 T124 G125 A131C112-A127 HydrophobicContact CB-CB 3.93Å; F117-A127 HydrophobicContact CB-CB 4.23Å; F117-A127 HydrophobicContact CD1-CB 3.76Å; F117-A127 HydrophobicContact CD2-CB 3.67Å; F117-A127 HydrophobicContact CE1-CB 3.96Å; F117-A127 HydrophobicContact CE2-CB 3.88Å; F117-A127 HydrophobicContact CG-CB 3.6Å; F117-A127 HydrophobicContact CZ-CB 4.02Å; K121-A127 WeakPolarHBondContact O-CB 3.13Å; T124-A127 PolarHBondContact O-N 2.93Å; T124-A127 WeakPolarHBondContact OG1-CB 3.35Å; T124-A127 PolarHBondContact OG1-N 3.28Å; G125-A127 PolarHBondContact O-N 3.26Å; A127-A131 WeakPolarHBondContact O-CB 3.49Å; A127-A131 PolarHBondContact O-N 3.23Å
128A98.3Very high97.7Very high0 Ų055.8 Ų55.80%030%0.298CS..Hα-helixtrans-68.4-39.2176.700000112.4T95 T124 G125 I126 A131 G132 G157 A161T95-A128 HydrophobicContact CG2-CB 4.08Å; T124-A128 PolarHBondContact O-N 2.81Å; G125-A128 WeakPolarHBondContact O-CB 3.44Å; G125-A128 PolarHBondContact O-N 2.94Å; I126-A128 VanDerWaalsContact C-N 3.28Å; I126-A128 PolarHBondContact O-N 2.88Å; A128-A131 PolarHBondContact O-N 3.38Å; A128-G132 PolarHBondContact O-N 3.43Å; A128-G157 VanDerWaalsContact CB-CA 3.42Å; A128-A161 HydrophobicContact CB-CB 4.41Å
129Q98.4Very high97.7Very high68 Ų6846.3 Ų46.332%0.31826%0.262SS..Hα-helixtrans-64.2-46.5174.8-175.7-176.9-4.700111.1G125 I126 A131 G132 V133 S160 M167G125-Q129 WeakPolarHBondContact O-CB 3.32Å; G125-Q129 PolarHBondContact O-N 2.87Å; I126-Q129 PolarHBondContact O-N 3.36Å; Q129-A131 VanDerWaalsContact C-N 3.33Å; Q129-A131 PolarHBondContact O-N 2.6Å; Q129-G132 WeakPolarHBondContact O-CA 3.35Å; Q129-G132 PolarHBondContact O-N 2.76Å; Q129-V133 WeakPolarHBondContact O-CG2 3.34Å; Q129-V133 PolarHBondContact O-N 3.36Å; Q129-S160 WeakPolarHBondContact CA-O 3.45Å; Q129-M167 HydrophobicContact CG-SD 4.21Å; Q129-M167 PolarHBondContact NE2-SD 3.15Å
130T98.4Very high97.7Very high55 Ų5543.1 Ų43.134%0.33725%0.248SC..Hα-helixtrans-58.7-44.7175.4-51.10000111.5E115 F117 I126 G132 V133 A134E115-T130 HydrophobicContact CB-CG2 4.22Å; E115-T130 HydrophobicContact CG-CG2 4.3Å; F117-T130 HydrophobicContact CE2-CG2 4.15Å; I126-T130 PolarHBondContact O-N 2.91Å; I126-T130 PolarHBondContact O-OG1 3.33Å; T130-G132 VanDerWaalsContact C-N 3.29Å; T130-G132 PolarHBondContact O-N 3.33Å; T130-V133 PolarHBondContact O-N 2.99Å; T130-A134 PolarHBondContact O-N 3.03Å
131A98.3Very high97.7Very high0 Ų046.1 Ų46.10%025%0.25CS..Hα-helixtrans-62.9-35.217500000112.6I97 A110 E115 A127 A128 Q129 A135I97-A131 HydrophobicContact CD1-CB 4.31Å; A110-A131 WeakPolarHBondContact CB-O 3.46Å; E115-A131 HydrophobicContact CG-CB 4.11Å; A127-A131 WeakPolarHBondContact O-CB 3.49Å; A127-A131 PolarHBondContact O-N 3.23Å; A128-A131 PolarHBondContact O-N 3.38Å; Q129-A131 VanDerWaalsContact C-N 3.33Å; Q129-A131 PolarHBondContact O-N 2.6Å; A131-A135 WeakPolarHBondContact O-CB 3.45Å; A131-A135 PolarHBondContact O-N 3.43Å
132G98.2Very high97.7Very high0 Ų045.3 Ų45.30%025%0.247CC..Hα-helixtrans-63-48.8174.300000112.4I97 A128 Q129 T130 A134 A135 A136 G164I97-G132 VanDerWaalsContact CD1-CA 3.44Å; A128-G132 PolarHBondContact O-N 3.43Å; Q129-G132 WeakPolarHBondContact O-CA 3.35Å; Q129-G132 PolarHBondContact O-N 2.76Å; T130-G132 VanDerWaalsContact C-N 3.29Å; T130-G132 PolarHBondContact O-N 3.33Å; G132-A134 VanDerWaalsContact C-N 3.34Å; G132-A134 PolarHBondContact O-N 3.29Å; G132-A135 PolarHBondContact O-N 2.87Å; G132-A136 WeakPolarHBondContact O-CB 3.35Å; G132-A136 PolarHBondContact O-N 3.03Å; G132-G164 CarbonylContact C-O 3.5Å
133V98.4Very high97.6Very high54 Ų5445.1 Ų45.133%0.32726%0.262SS..Hα-helixtrans-60.1-44.9177.21750000110.8Q129 T130 A136 A137 G164 M167Q129-V133 WeakPolarHBondContact O-CG2 3.34Å; Q129-V133 PolarHBondContact O-N 3.36Å; T130-V133 PolarHBondContact O-N 2.99Å; V133-A136 PolarHBondContact O-N 3.11Å; V133-A137 WeakPolarHBondContact O-CB 3.45Å; V133-A137 PolarHBondContact O-N 2.73Å; V133-G164 WeakPolarHBondContact CA-O 3.38Å; V133-G164 WeakPolarHBondContact CG2-O 3.42Å; V133-G164 PolarHBondContact N-O 3.04Å; V133-M167 HydrophobicContact CG2-CB 4.05Å
134A98.2Very high97.6Very high17 Ų1745 Ų4514%0.1426%0.257CS..Hα-helixtrans-65.9-39.4178.400000112.9A110 E115 T130 G132 K138A110-A134 HydrophobicContact CB-CB 4.43Å; E115-A134 VanDerWaalsContact CD-CB 3.45Å; E115-A134 HydrophobicContact CG-CB 4.35Å; E115-A134 WeakPolarHBondContact OE1-CB 3.28Å; E115-A134 WeakPolarHBondContact OE2-CB 3.44Å; T130-A134 PolarHBondContact O-N 3.03Å; G132-A134 VanDerWaalsContact C-N 3.34Å; G132-A134 PolarHBondContact O-N 3.29Å; A134-K138 WeakPolarHBondContact O-CG 3.36Å; A134-K138 PolarHBondContact O-N 2.99Å
135A98.2Very high97.5Very high0 Ų046 Ų460%026%0.264CS..Hα-helixtrans-65.1-43.7174.900000111.7I97 A108 A110 A131 G132 K138 A139 L165I97-A135 HydrophobicContact CB-CB 4.2Å; I97-A135 HydrophobicContact CG2-CB 3.8Å; A108-A135 WeakPolarHBondContact CB-O 3.49Å; A110-A135 HydrophobicContact CB-CB 3.86Å; A131-A135 WeakPolarHBondContact O-CB 3.45Å; A131-A135 PolarHBondContact O-N 3.43Å; G132-A135 PolarHBondContact O-N 2.87Å; A135-K138 PolarHBondContact O-N 2.86Å; A135-A139 PolarHBondContact O-N 3.07Å; A135-L165 HydrophobicContact CB-CD2 4.27Å
136A98.1Very high97.6Very high0 Ų046.3 Ų46.30%026%0.259CS..Hα-helixtrans-62.5-49.1177.600000111.2G132 V133 K138 A139 T140 L165 L170G132-A136 WeakPolarHBondContact O-CB 3.35Å; G132-A136 PolarHBondContact O-N 3.03Å; V133-A136 PolarHBondContact O-N 3.11Å; A136-K138 VanDerWaalsContact C-N 3.29Å; A136-K138 PolarHBondContact O-N 3.15Å; A136-A139 CarbonylContact O-C 3.58Å; A136-A139 WeakPolarHBondContact O-CA 3.43Å; A136-A139 WeakPolarHBondContact O-CB 3.47Å; A136-A139 PolarHBondContact O-N 3.04Å; A136-T140 PolarHBondContact O-N 2.84Å; A136-T140 PolarHBondContact O-OG1 2.7Å; A136-L165 HydrophobicContact CB-CD2 4.17Å; A136-L170 HydrophobicContact CB-CD1 3.78Å; A136-L170 HydrophobicContact CB-CG 3.83Å
137A97.7Very high97.6Very high44 Ų4440.6 Ų40.636%0.36423%0.23SC..Hα-helixtrans-54.2-44.1177.100000112.7V133 A139 T140 Q141V133-A137 WeakPolarHBondContact O-CB 3.45Å; V133-A137 PolarHBondContact O-N 2.73Å; A137-A139 VanDerWaalsContact C-N 3.34Å; A137-A139 PolarHBondContact O-N 3.23Å; A137-T140 PolarHBondContact O-N 3.27Å; A137-Q141 WeakPolarHBondContact O-CG 3.49Å; A137-Q141 PolarHBondContact O-N 3.14Å; A137-Q141 VanDerWaalsContact O-N 3.13Å
138K97.7Very high97.5Very high85 Ų8542.5 Ų42.537%0.3724%0.237SC..Hα-helixtrans-65.9-34176.1-69.8173.5-170.8174.50112.9A108 R109 A134 A135 A136A108-K138 HydrophobicContact CB-CB 3.75Å; R109-K138 PolarHBondContact O-NZ 3.06Å; A134-K138 WeakPolarHBondContact O-CG 3.36Å; A134-K138 PolarHBondContact O-N 2.99Å; A135-K138 PolarHBondContact O-N 2.86Å; A136-K138 VanDerWaalsContact C-N 3.29Å; A136-K138 PolarHBondContact O-N 3.15Å
139A97.6Very high97.5Very high0 Ų042.5 Ų42.50%024%0.237CC..Hα-helixtrans-75.6-39.4177.600000111.7V99 A108 A135 A136 A137 Q141 K142 G143 V144 L170V99-A139 HydrophobicContact CB-CB 4.43Å; V99-A139 HydrophobicContact CG1-CB 4.24Å; V99-A139 HydrophobicContact CG2-CB 4.32Å; A108-A139 HydrophobicContact CB-CB 4.12Å; A135-A139 PolarHBondContact O-N 3.07Å; A136-A139 CarbonylContact O-C 3.58Å; A136-A139 WeakPolarHBondContact O-CA 3.43Å; A136-A139 WeakPolarHBondContact O-CB 3.47Å; A136-A139 PolarHBondContact O-N 3.04Å; A137-A139 VanDerWaalsContact C-N 3.34Å; A137-A139 PolarHBondContact O-N 3.23Å; A139-Q141 VanDerWaalsContact C-N 3.31Å; A139-Q141 PolarHBondContact O-N 3.15Å; A139-K142 CarbonylContact O-C 3.58Å; A139-K142 WeakPolarHBondContact O-CA 3.49Å; A139-K142 WeakPolarHBondContact O-CB 3.31Å; A139-K142 PolarHBondContact O-N 3.24Å; A139-G143 PolarHBondContact O-N 2.97Å; A139-V144 HydrophobicContact CB-CB 4.12Å; A139-V144 HydrophobicContact CB-CG2 4.28Å; A139-V144 WeakPolarHBondContact O-CB 3.38Å; A139-V144 PolarHBondContact O-N 2.98Å; A139-L170 HydrophobicContact CB-CD1 4.15Å
140T96.8Very high97.5Very high64 Ų6440.4 Ų40.439%0.39323%0.229SC..Hα-helixtrans-61.5-39.6176.2-53.60000111.2A136 A137 K142 G143A136-T140 PolarHBondContact O-N 2.84Å; A136-T140 PolarHBondContact O-OG1 2.7Å; A137-T140 PolarHBondContact O-N 3.27Å; T140-K142 PolarHBondContact O-N 3.39Å; T140-K142 VanDerWaalsContact O-N 3.13Å; T140-G143 PolarHBondContact O-N 3.31Å
141Q96.6Very high97.5Very high167 Ų16737.8 Ų37.878%0.7821%0.213SC*.THydrogen-bonded Turntrans-58-25.4172.2-74.1172.7-1.200113.4A137 A139A137-Q141 WeakPolarHBondContact O-CG 3.49Å; A137-Q141 PolarHBondContact O-N 3.14Å; A137-Q141 VanDerWaalsContact O-N 3.13Å; A139-Q141 VanDerWaalsContact C-N 3.31Å; A139-Q141 PolarHBondContact O-N 3.15Å
142K96Very high97.5Very high124 Ų12442.5 Ų42.554%0.53923%0.233SC..THydrogen-bonded Turntrans-95.712.3177.3-62.9-175.9174.7-1680113.1L107 A139 T140L107-K142 HydrophobicContact CB-CD 4.11Å; L107-K142 HydrophobicContact CD2-CD 4.19Å; L107-K142 VanDerWaalsContact O-CD 3.32Å; L107-K142 WeakPolarHBondContact O-CD 3.41Å; L107-K142 WeakPolarHBondContact O-CE 3.47Å; L107-K142 PolarHBondContact O-NZ 3.16Å; A139-K142 CarbonylContact O-C 3.58Å; A139-K142 WeakPolarHBondContact O-CA 3.49Å; A139-K142 WeakPolarHBondContact O-CB 3.31Å; A139-K142 PolarHBondContact O-N 3.24Å; T140-K142 PolarHBondContact O-N 3.39Å; T140-K142 VanDerWaalsContact O-N 3.13Å
143G95Very high97.5Very high55 Ų5543.2 Ų43.257%0.56724%0.241SC*.THydrogen-bonded Turntrans76.723.717700000114.6A139 T140A139-G143 PolarHBondContact O-N 2.97Å; T140-G143 PolarHBondContact O-N 3.31Å
144V96.8Very high97.4Very high12 Ų1246.2 Ų46.27%0.07325%0.254CS..  trans-85.4125.2172.4-177.60000109.6P84 L107 A139 I147 L170P84-V144 HydrophobicContact CB-CG1 4.47Å; P84-V144 HydrophobicContact CG-CG1 3.52Å; P84-V144 HydrophobicContact CG-CG2 4.3Å; L107-V144 HydrophobicContact CD1-CG2 3.59Å; A139-V144 HydrophobicContact CB-CB 4.12Å; A139-V144 HydrophobicContact CB-CG2 4.28Å; A139-V144 WeakPolarHBondContact O-CB 3.38Å; A139-V144 PolarHBondContact O-N 2.98Å; V144-I147 HydrophobicContact CG1-CG2 3.71Å; V144-L170 HydrophobicContact CB-CD2 4.21Å; V144-L170 HydrophobicContact CG1-CD2 3.9Å; V144-L170 WeakPolarHBondContact O-CD2 3.42Å
145T96.3Very high97.4Very high79 Ų7945.7 Ų45.749%0.48525%0.25SS..  trans-109.3-48.2175.4-46.50000111.3L170 E171T145-L170 WeakPolarHBondContact O-CA 3.5Å; T145-E171 PolarHBondContact O-N 3.33Å
146H97.8Very high97.3Very high29 Ų2948.9 Ų48.913%0.13427%0.271CS..EExtended strand (participates in β ladder)trans-113.5146.1-175.6-54.278.5000111W75 I83 P84 E171 I173W75-H146 AromaticContact CD1-CD2 3.98Å; I83-H146 HydrophobicContact CG2-CB 4.29Å; I83-H146 WeakPolarHBondContact CG2-O 3.41Å; P84-H146 WeakPolarHBondContact CD-O 3.48Å; P84-H146 VanDerWaalsContact CG-O 3.29Å; P84-H146 WeakPolarHBondContact CG-O 3.41Å; H146-E171 CarbonylContact C-O 3.56Å; H146-E171 WeakPolarHBondContact CA-O 3.48Å; H146-E171 IonicContact CD2-OE2 3.51Å; H146-E171 IonicContact NE2-OE2 3.36Å; H146-E171 PolarHBondContact NE2-OE2 3.01Å; H146-I173 HydrophobicContact CB-CD1 3.49Å; H146-I173 VanDerWaalsContact CB-CD1 3.49Å; H146-I173 HydrophobicContact CB-CG1 4.23Å
147I98Very high97.2Very high0 Ų048.9 Ų48.90%027%0.271CS..EExtended strand (participates in β ladder)trans-137151.5-179.854.7166.7000112.8P84 A86 V99 V144 V149 L165 L170 E171 V172 I173P84-I147 HydrophobicContact CG-CG2 4.32Å; P84-I147 WeakPolarHBondContact O-CA 3.06Å; A86-I147 HydrophobicContact CB-CB 4.34Å; A86-I147 HydrophobicContact CB-CD1 3.78Å; V99-I147 HydrophobicContact CG1-CG2 4.5Å; V144-I147 HydrophobicContact CG1-CG2 3.71Å; I147-V149 HydrophobicContact CD1-CG2 3.95Å; I147-V149 HydrophobicContact CG1-CG2 4.43Å; I147-L165 HydrophobicContact CD1-CB 4.21Å; I147-L165 HydrophobicContact CD1-CD1 3.92Å; I147-L165 HydrophobicContact CD1-CG 4.47Å; I147-L170 HydrophobicContact CD1-CB 4.04Å; I147-L170 HydrophobicContact CD1-CD1 3.97Å; I147-L170 HydrophobicContact CG1-CB 4.22Å; I147-L170 HydrophobicContact CG2-CD1 4.04Å; I147-E171 WeakPolarHBondContact CG1-O 3.48Å; I147-E171 PolarHBondContact N-O 3.19Å; I147-V172 HydrophobicContact CD1-CG2 4.07Å; I147-V172 HydrophobicContact CG1-CG2 4.19Å; I147-I173 PolarHBondContact O-N 3.37Å
148R97.9Very high97.2Very high39 Ų3949.3 Ų49.315%0.14726%0.264CS..EExtended strand (participates in β ladder)trans-100.8120.5164.5-61.3-178.9-69.6170.1-6.5108.6F80 E81 I83 P84 I85 A86 S174F80-R148 HydrophobicContact CE2-CG 3.98Å; F80-R148 VanDerWaalsContact CZ-CD 3.44Å; F80-R148 HydrophobicContact CZ-CG 4.19Å; F80-R148 WeakPolarHBondContact O-CD 3.39Å; F80-R148 VanDerWaalsContact O-CZ 3.24Å; F80-R148 PolarHBondContact O-NE 3.14Å; F80-R148 PolarHBondContact O-NH1 3.02Å; E81-R148 PolarHBondContact O-NH2 3.44Å; I83-R148 HydrophobicContact CB-CG 4.14Å; I83-R148 HydrophobicContact CG2-CG 3.86Å; I83-R148 PolarHBondContact O-NE 3.25Å; I83-R148 PolarHBondContact O-NH2 3.4Å; P84-R148 PolarHBondContact O-N 2.8Å; I85-R148 CarbonylContact C-O 3.43Å; I85-R148 VanDerWaalsContact CA-O 3.32Å; I85-R148 WeakPolarHBondContact CA-O 3.32Å; A86-R148 PolarHBondContact N-O 2.91Å; R148-S174 WeakPolarHBondContact CB-OG 3.31Å; R148-S174 WeakPolarHBondContact CG-OG 3.43Å
149V98.3Very high97.2Very high0 Ų050.9 Ų50.90%028%0.275CS..EExtended strand (participates in β ladder)trans-90.1127.7-176.8176.10000109.5A86 I88 I147 V151 I162 L165 V172 S174 T176A86-V149 HydrophobicContact CB-CG2 4.36Å; I88-V149 HydrophobicContact CD1-CG1 3.56Å; I88-V149 HydrophobicContact CG1-CG1 4.19Å; I147-V149 HydrophobicContact CD1-CG2 3.95Å; I147-V149 HydrophobicContact CG1-CG2 4.43Å; V149-V151 HydrophobicContact CG1-CG2 3.77Å; V149-I162 HydrophobicContact CG1-CD1 4.28Å; V149-I162 HydrophobicContact CG1-CG1 4.15Å; V149-L165 HydrophobicContact CG2-CD1 4.48Å; V149-V172 HydrophobicContact CB-CG1 4.37Å; V149-V172 HydrophobicContact CG2-CB 4.42Å; V149-V172 HydrophobicContact CG2-CG1 3.68Å; V149-V172 HydrophobicContact CG2-CG2 3.91Å; V149-S174 PolarHBondContact N-O 3.07Å; V149-T176 PolarHBondContact O-N 3.41Å
150V98.4Very high97.3Very high24 Ų2452.5 Ų52.515%0.14529%0.286CS..EExtended strand (participates in β ladder)trans-115.6110.1170.6179.20000108.7I85 A86 H87 I88 T176 N178I85-V150 HydrophobicContact CG2-CB 4.25Å; I85-V150 HydrophobicContact CG2-CG2 3.58Å; A86-V150 PolarHBondContact O-N 3.06Å; H87-V150 WeakPolarHBondContact CA-O 3.44Å; I88-V150 PolarHBondContact N-O 3.43Å; V150-T176 CarbonylContact C-O 3.38Å; V150-T176 WeakPolarHBondContact CA-O 3.45Å; V150-N178 HydrophobicContact CG1-CB 3.76Å
151V98.3Very high97.3Very high1 Ų149.4 Ų49.41%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-92.8139179.6-172.20000110.2I88 V149 R158 I162 I175 T176 N178I88-V151 CarbonylContact O-C 3.52Å; I88-V151 WeakPolarHBondContact O-CA 3.41Å; V149-V151 HydrophobicContact CG1-CG2 3.77Å; V151-R158 HydrophobicContact CG1-CG 3.79Å; V151-I162 HydrophobicContact CG2-CD1 4.03Å; V151-I175 HydrophobicContact CG2-CG2 4.39Å; V151-T176 PolarHBondContact N-O 3.33Å; V151-N178 PolarHBondContact O-N 3.2Å
152K98.4Very high97.4Very high98 Ų9842.2 Ų42.243%0.42623%0.234SC..EExtended strand (participates in β ladder)trans-130.7116.2173.8179.2167.6-175.5166.80110.4I88 K89 A90 N178I88-K152 PolarHBondContact O-N 2.96Å; K89-K152 CarbonylContact C-O 3.58Å; K89-K152 WeakPolarHBondContact CA-O 3.47Å; A90-K152 PolarHBondContact N-O 3.43Å; K152-N178 WeakPolarHBondContact CG-O 3.31Å
153G96.8Very high97.5Very high15 Ų1541.9 Ų41.916%0.15523%0.234CC..SBendtrans98.6163.817700000113.8A90 R158 T179A90-G153 CarbonylContact O-C 3.5Å; A90-G153 WeakPolarHBondContact O-CA 3.4Å; G153-R158 PolarHBondContact O-NH1 3.31Å; G153-T179 PolarHBondContact N-OG1 3.45Å
154L96.9Very high97.6Very high117 Ų11739.2 Ų39.261%0.61321%0.207SC*.  trans-109.931.9-173-62.1167.3000111.8T179L154-T179 HydrophobicContact CG-CG2 4.42Å
155G96.9Very high97.7Very high6 Ų638.7 Ų38.76%0.06220%0.204CC..  trans-73.9165179.100000113.9A90 G157 R158A90-G155 WeakPolarHBondContact O-CA 3.49Å; A90-G155 PolarHBondContact O-N 2.84Å; G155-G157 VanDerWaalsContact C-N 3.25Å; G155-G157 PolarHBondContact O-N 3.45Å; G155-R158 VanDerWaalsContact O-CB 3.27Å; G155-R158 WeakPolarHBondContact O-CB 3.38Å; G155-R158 PolarHBondContact O-N 3.04Å
156P96.8Very high97.8Very high68 Ų6838.7 Ų38.744%0.44220%0.204SC..THydrogen-bonded Turntrans-62.8-28.3-17724.3-33.8000113.7G123 R158G123-P156 WeakPolarHBondContact O-CG 3.37Å; P156-R158 PolarHBondContact O-N 3.22Å
157G96.8Very high97.8Very high0 Ų043.3 Ų43.30%023%0.227CC..Hα-helixtrans-79.66.4178.800000115.4T95 A128 G155 A161T95-G157 WeakPolarHBondContact OG1-CA 3.29Å; A128-G157 VanDerWaalsContact CB-CA 3.42Å; G155-G157 VanDerWaalsContact C-N 3.25Å; G155-G157 PolarHBondContact O-N 3.45Å; G157-A161 WeakPolarHBondContact O-CB 3.27Å; G157-A161 PolarHBondContact O-N 2.94Å
158R98.1Very high97.7Very high53 Ų5344.2 Ų44.220%0.224%0.236CC..Hα-helixtrans-58.3-58.2-175.2173.1156.6-177.6137.4-7.6113.1A90 V151 G153 G155 P156 I162 D177 T179A90-R158 HydrophobicContact CB-CB 3.92Å; V151-R158 HydrophobicContact CG1-CG 3.79Å; G153-R158 PolarHBondContact O-NH1 3.31Å; G155-R158 VanDerWaalsContact O-CB 3.27Å; G155-R158 WeakPolarHBondContact O-CB 3.38Å; G155-R158 PolarHBondContact O-N 3.04Å; P156-R158 PolarHBondContact O-N 3.22Å; R158-I162 WeakPolarHBondContact O-CG1 3.1Å; R158-D177 IonicContact CZ-OD1 3.65Å; R158-D177 IonicContact CZ-OD2 3.5Å; R158-D177 IonicContact NH1-OD1 3.03Å; R158-D177 PolarHBondContact NH1-OD1 3.47Å; R158-D177 IonicContact NH1-OD2 3.33Å; R158-D177 PolarHBondContact NH1-OD2 3.39Å; R158-D177 IonicContact NH2-OD1 3.36Å; R158-D177 PolarHBondContact NH2-OD1 3.46Å; R158-D177 IonicContact NH2-OD2 2.76Å; R158-D177 PolarHBondContact NH2-OD2 2.9Å; R158-T179 PolarHBondContact NH1-OG1 2.94Å
159L97.6Very high97.5Very high118 Ų11844.9 Ų44.962%0.61826%0.255SS*.Hα-helixtrans-79.5-39179.8-68.7173.2000111.8A161 I162 H163L159-A161 VanDerWaalsContact C-N 3.29Å; L159-A161 PolarHBondContact O-N 3.33Å; L159-I162 WeakPolarHBondContact O-CB 3.47Å; L159-I162 PolarHBondContact O-N 3.26Å; L159-H163 PolarHBondContact O-CD2 3.26Å; L159-H163 PolarHBondContact O-N 3.08Å
160S97.9Very high97.5Very high33 Ų3345 Ų4523%0.23126%0.256CS..Hα-helixtrans-61.3-35.5-178.3-50.30000113G125 Q129 H163 G164G125-S160 WeakPolarHBondContact CA-OG 3.38Å; G125-S160 WeakPolarHBondContact O-CB 3.14Å; Q129-S160 WeakPolarHBondContact CA-O 3.45Å; S160-H163 PolarHBondContact O-N 3.44Å; S160-G164 PolarHBondContact O-N 3.29Å
161A98.1Very high97.5Very high0 Ų048.8 Ų48.80%027%0.272CS..Hα-helixtrans-65.9-40.217400000112.5I88 T95 I97 A128 G157 L159 G164 L165I88-A161 HydrophobicContact CD1-CB 4.14Å; I88-A161 HydrophobicContact CG2-CB 3.91Å; T95-A161 HydrophobicContact CG2-CB 4.04Å; I97-A161 HydrophobicContact CD1-CB 3.78Å; I97-A161 HydrophobicContact CG1-CB 4.39Å; A128-A161 HydrophobicContact CB-CB 4.41Å; G157-A161 WeakPolarHBondContact O-CB 3.27Å; G157-A161 PolarHBondContact O-N 2.94Å; L159-A161 VanDerWaalsContact C-N 3.29Å; L159-A161 PolarHBondContact O-N 3.33Å; A161-G164 PolarHBondContact O-N 3.38Å; A161-L165 WeakPolarHBondContact O-CG 3.19Å; A161-L165 PolarHBondContact O-N 3.33Å
162I98.2Very high97.4Very high15 Ų1550.6 Ų50.68%0.07728%0.283CS..Hα-helixtrans-62.3-46.9176.7-61.1174.6000109.7I88 V149 V151 R158 L159 G164 L165 T166 V172 I175I88-I162 HydrophobicContact CD1-CG1 3.7Å; V149-I162 HydrophobicContact CG1-CD1 4.28Å; V149-I162 HydrophobicContact CG1-CG1 4.15Å; V151-I162 HydrophobicContact CG2-CD1 4.03Å; R158-I162 WeakPolarHBondContact O-CG1 3.1Å; L159-I162 WeakPolarHBondContact O-CB 3.47Å; L159-I162 PolarHBondContact O-N 3.26Å; I162-G164 VanDerWaalsContact C-N 3.3Å; I162-G164 PolarHBondContact O-N 3.17Å; I162-L165 WeakPolarHBondContact O-CB 3.46Å; I162-L165 PolarHBondContact O-N 3.23Å; I162-L165 VanDerWaalsContact O-N 3.16Å; I162-T166 PolarHBondContact O-N 3.06Å; I162-T166 VanDerWaalsContact O-N 3.14Å; I162-T166 PolarHBondContact O-OG1 3.16Å; I162-V172 HydrophobicContact CG2-CG2 4.36Å; I162-I175 HydrophobicContact CD1-CG2 4.46Å
163H98.1Very high97.4Very high117 Ų11747.9 Ų47.954%0.54227%0.273SS..Hα-helixtrans-59.9-41.7175.3-72.7-158.1000111.7L159 S160 L165 T166 M167L159-H163 PolarHBondContact O-CD2 3.26Å; L159-H163 PolarHBondContact O-N 3.08Å; S160-H163 PolarHBondContact O-N 3.44Å; H163-L165 VanDerWaalsContact C-N 3.32Å; H163-L165 PolarHBondContact O-N 3.29Å; H163-T166 PolarHBondContact O-N 3.5Å; H163-M167 VanDerWaalsContact O-CG 3.31Å; H163-M167 WeakPolarHBondContact O-CG 3.5Å; H163-M167 PolarHBondContact O-N 3.12Å
164G98Very high97.4Very high0 Ų048.1 Ų48.10%027%0.272CS..Hα-helixtrans-61.3-37.317600000113.4G132 V133 S160 A161 I162 M167 G168G132-G164 CarbonylContact C-O 3.5Å; V133-G164 WeakPolarHBondContact CA-O 3.38Å; V133-G164 WeakPolarHBondContact CG2-O 3.42Å; V133-G164 PolarHBondContact N-O 3.04Å; S160-G164 PolarHBondContact O-N 3.29Å; A161-G164 PolarHBondContact O-N 3.38Å; I162-G164 VanDerWaalsContact C-N 3.3Å; I162-G164 PolarHBondContact O-N 3.17Å; G164-M167 PolarHBondContact O-N 3.01Å; G164-G168 PolarHBondContact O-N 3.06Å
165L97.9Very high97.4Very high0 Ų047.8 Ų47.80%027%0.27CS..Hα-helixtrans-64.8-43.8175.1-70.5168.5000111.5A86 I88 I97 A135 A136 I147 V149 A161 I162 H163 G168 L170A86-L165 HydrophobicContact CB-CD1 4.16Å; I88-L165 HydrophobicContact CD1-CD1 3.78Å; I88-L165 HydrophobicContact CG1-CD1 4.37Å; I97-L165 HydrophobicContact CG2-CD2 4.21Å; A135-L165 HydrophobicContact CB-CD2 4.27Å; A136-L165 HydrophobicContact CB-CD2 4.17Å; I147-L165 HydrophobicContact CD1-CB 4.21Å; I147-L165 HydrophobicContact CD1-CD1 3.92Å; I147-L165 HydrophobicContact CD1-CG 4.47Å; V149-L165 HydrophobicContact CG2-CD1 4.48Å; A161-L165 WeakPolarHBondContact O-CG 3.19Å; A161-L165 PolarHBondContact O-N 3.33Å; I162-L165 WeakPolarHBondContact O-CB 3.46Å; I162-L165 PolarHBondContact O-N 3.23Å; I162-L165 VanDerWaalsContact O-N 3.16Å; H163-L165 VanDerWaalsContact C-N 3.32Å; H163-L165 PolarHBondContact O-N 3.29Å; L165-G168 PolarHBondContact O-N 2.76Å; L165-L170 HydrophobicContact CD2-CD1 4.12Å; L165-L170 PolarHBondContact O-N 3.23Å
166T98Very high97.4Very high80 Ų8050.9 Ų50.949%0.49129%0.288SS..Hα-helixtrans-62.9-43.3175.6-51.30000111.9I162 H163 G168 G169 L170I162-T166 PolarHBondContact O-N 3.06Å; I162-T166 VanDerWaalsContact O-N 3.14Å; I162-T166 PolarHBondContact O-OG1 3.16Å; H163-T166 PolarHBondContact O-N 3.5Å; T166-G168 VanDerWaalsContact C-N 3.26Å; T166-G168 PolarHBondContact O-N 3.47Å; T166-G169 PolarHBondContact O-N 3.45Å; T166-G169 VanDerWaalsContact O-N 3.08Å; T166-L170 WeakPolarHBondContact CA-O 3.44Å
167M97.8Very high97.5Very high125 Ų12551.5 Ų51.562%0.61629%0.288SS*.Hα-helixtrans-63.7-29.7176.5-72.9175.465.500113.5Q129 V133 H163 G164 G169Q129-M167 HydrophobicContact CG-SD 4.21Å; Q129-M167 PolarHBondContact NE2-SD 3.15Å; V133-M167 HydrophobicContact CG2-CB 4.05Å; H163-M167 VanDerWaalsContact O-CG 3.31Å; H163-M167 WeakPolarHBondContact O-CG 3.5Å; H163-M167 PolarHBondContact O-N 3.12Å; G164-M167 PolarHBondContact O-N 3.01Å; M167-G169 PolarHBondContact O-N 3.21Å
168G95.6Very high97.5Very high19 Ų1956.3 Ų56.320%0.19631%0.313CS..THydrogen-bonded Turntrans-80.87.1175.300000114.5G164 L165 T166G164-G168 PolarHBondContact O-N 3.06Å; L165-G168 PolarHBondContact O-N 2.76Å; T166-G168 VanDerWaalsContact C-N 3.26Å; T166-G168 PolarHBondContact O-N 3.47Å
169G95.1Very high97.5Very high53 Ų5355.3 Ų55.355%0.54631%0.313SS..THydrogen-bonded Turntrans9213.6173.100000115.3T166 M167T166-G169 PolarHBondContact O-N 3.45Å; T166-G169 VanDerWaalsContact O-N 3.08Å; M167-G169 PolarHBondContact O-N 3.21Å
170L97.4Very high97.4Very high3 Ų353.9 Ų53.92%0.01631%0.311CS..PPolyproline II helixtrans-94.4136.5172.6-63.8-177.9000111.4A136 A139 V144 T145 I147 L165 T166A136-L170 HydrophobicContact CB-CD1 3.78Å; A136-L170 HydrophobicContact CB-CG 3.83Å; A139-L170 HydrophobicContact CB-CD1 4.15Å; V144-L170 HydrophobicContact CB-CD2 4.21Å; V144-L170 HydrophobicContact CG1-CD2 3.9Å; V144-L170 WeakPolarHBondContact O-CD2 3.42Å; T145-L170 WeakPolarHBondContact O-CA 3.5Å; I147-L170 HydrophobicContact CD1-CB 4.04Å; I147-L170 HydrophobicContact CD1-CD1 3.97Å; I147-L170 HydrophobicContact CG1-CB 4.22Å; I147-L170 HydrophobicContact CG2-CD1 4.04Å; L165-L170 HydrophobicContact CD2-CD1 4.12Å; L165-L170 PolarHBondContact O-N 3.23Å; T166-L170 WeakPolarHBondContact CA-O 3.44Å
171E97.8Very high97.3Very high104 Ų10458.7 Ų58.749%0.48633%0.333SS..EExtended strand (participates in β ladder)trans-92125.7175.6-167175.3167.800111T145 H146 I147T145-E171 PolarHBondContact O-N 3.33Å; H146-E171 CarbonylContact C-O 3.56Å; H146-E171 WeakPolarHBondContact CA-O 3.48Å; H146-E171 IonicContact CD2-OE2 3.51Å; H146-E171 IonicContact NE2-OE2 3.36Å; H146-E171 PolarHBondContact NE2-OE2 3.01Å; I147-E171 WeakPolarHBondContact CG1-O 3.48Å; I147-E171 PolarHBondContact N-O 3.19Å
172V97.8Very high97.2Very high38 Ų3863.4 Ų63.423%0.2336%0.363CS..EExtended strand (participates in β ladder)trans-92.5117.2-179.8177.80000109.3I147 V149 I162 I175I147-V172 HydrophobicContact CD1-CG2 4.07Å; I147-V172 HydrophobicContact CG1-CG2 4.19Å; V149-V172 HydrophobicContact CB-CG1 4.37Å; V149-V172 HydrophobicContact CG2-CB 4.42Å; V149-V172 HydrophobicContact CG2-CG1 3.68Å; V149-V172 HydrophobicContact CG2-CG2 3.91Å; I162-V172 HydrophobicContact CG2-CG2 4.36Å; V172-I175 HydrophobicContact CG1-CG1 3.93Å
173I96.8Very high97.1Very high41 Ų4171 Ų7121%0.2140%0.398CS..EExtended strand (participates in β ladder)trans-92.9-42.3-178.7-64.6166.6000111.8W75 F80 I83 H146 I147W75-I173 HydrophobicContact CB-CD1 3.79Å; W75-I173 HydrophobicContact CD2-CD1 3.66Å; W75-I173 HydrophobicContact CD2-CG1 4.44Å; W75-I173 HydrophobicContact CD2-CG2 4.24Å; W75-I173 VanDerWaalsContact CE2-CG2 3.45Å; W75-I173 HydrophobicContact CE3-CD1 4.47Å; W75-I173 HydrophobicContact CG-CD1 3.33Å; W75-I173 HydrophobicContact CG-CG1 4.14Å; W75-I173 HydrophobicContact CH2-CG2 4.17Å; W75-I173 HydrophobicContact CZ2-CG2 3.4Å; F80-I173 HydrophobicContact CE2-CG2 4.33Å; I83-I173 HydrophobicContact CD1-CD1 3.37Å; I83-I173 HydrophobicContact CG1-CD1 4.48Å; I83-I173 HydrophobicContact CG2-CD1 4.13Å; H146-I173 HydrophobicContact CB-CD1 3.49Å; H146-I173 VanDerWaalsContact CB-CD1 3.49Å; H146-I173 HydrophobicContact CB-CG1 4.23Å; I147-I173 PolarHBondContact O-N 3.37Å
174S97.2Very high96.9Very high21 Ų2173.6 Ų73.615%0.14742%0.416CS..EExtended strand (participates in β ladder)trans-140.5150.1-17659.30000110.5R148 V149R148-S174 WeakPolarHBondContact CB-OG 3.31Å; R148-S174 WeakPolarHBondContact CG-OG 3.43Å; V149-S174 PolarHBondContact N-O 3.07Å
175I97.6Very high96.8Very high109 Ų10976.2 Ų76.256%0.55944%0.443SS*.EExtended strand (participates in β ladder)trans-123.8114.1176.2-56.7174000107.1V151 I162 V172V151-I175 HydrophobicContact CG2-CG2 4.39Å; I162-I175 HydrophobicContact CD1-CG2 4.46Å; V172-I175 HydrophobicContact CG1-CG1 3.93Å
176T97.9Very high96.7Very high72 Ų7282.3 Ų82.344%0.44248%0.484SS..EExtended strand (participates in β ladder)trans-111.7135176.1-52.40000109V149 V150 V151V149-T176 PolarHBondContact O-N 3.41Å; V150-T176 CarbonylContact C-O 3.38Å; V150-T176 WeakPolarHBondContact CA-O 3.45Å; V151-T176 PolarHBondContact N-O 3.33Å
177D97.4Very high96.7Very high81 Ų8189.5 Ų89.543%0.43350%0.502SS..EExtended strand (participates in β ladder)trans-99.3124.4171.7-168.911.9000110.3R158 T179R158-D177 IonicContact CZ-OD1 3.65Å; R158-D177 IonicContact CZ-OD2 3.5Å; R158-D177 IonicContact NH1-OD1 3.03Å; R158-D177 PolarHBondContact NH1-OD1 3.47Å; R158-D177 IonicContact NH1-OD2 3.33Å; R158-D177 PolarHBondContact NH1-OD2 3.39Å; R158-D177 IonicContact NH2-OD1 3.36Å; R158-D177 PolarHBondContact NH2-OD1 3.46Å; R158-D177 IonicContact NH2-OD2 2.76Å; R158-D177 PolarHBondContact NH2-OD2 2.9Å; D177-T179 WeakPolarHBondContact OD1-CB 2.95Å; D177-T179 PolarHBondContact OD1-N 2.92Å; D177-T179 VanDerWaalsContact OD1-N 3.1Å; D177-T179 PolarHBondContact OD1-OG1 3.5Å
178N97.5Very high96.6Very high100 Ų10088.7 Ų88.754%0.53551%0.506SS..  trans-12246.5174.2-170.45.4000109.8V150 V151 K152V150-N178 HydrophobicContact CG1-CB 3.76Å; V151-N178 PolarHBondContact O-N 3.2Å; K152-N178 WeakPolarHBondContact CG-O 3.31Å
179T97.3Very high96.7Very high32 Ų3296.3 Ų96.320%0.19653%0.529CS..  trans-71.8127.9172.2-65.40000109.3G153 L154 R158 D177 I181G153-T179 PolarHBondContact N-OG1 3.45Å; L154-T179 HydrophobicContact CG-CG2 4.42Å; R158-T179 PolarHBondContact NH1-OG1 2.94Å; D177-T179 WeakPolarHBondContact OD1-CB 2.95Å; D177-T179 PolarHBondContact OD1-N 2.92Å; D177-T179 VanDerWaalsContact OD1-N 3.1Å; D177-T179 PolarHBondContact OD1-OG1 3.5Å; T179-I181 PolarHBondContact O-N 3.03Å
180P95.9Very high96.8Very high88 Ų88102.1 Ų102.157%0.57154%0.539SS*.  trans-70118.9-175.627.7-34.4000111.1
181I95.5Very high96.8Very high135 Ų135106.2 Ų106.269%0.69257%0.574SS**  trans-110.6106.5174.5-60.1170.9000107.7T179T179-I181 PolarHBondContact O-N 3.03Å
182P95.9Very high96.7Very high98 Ų98109.2 Ų109.264%0.63658%0.58SS**  trans-80.7129.6179.630.6-32.5000111.5N184P182-N184 VanDerWaalsContact C-N 3.3Å; P182-N184 PolarHBondContact O-N 2.95Å
183H96.1Very high96.6Very high176 Ų176118.9 Ų118.982%0.81561%0.613SS**SBendtrans-82.373.4170.1-59.7-68.5000110.4G185H183-G185 VanDerWaalsContact C-N 3.32Å; H183-G185 PolarHBondContact O-N 3.03Å
184N94.9Very high96Very high170 Ų170127 Ų12791%0.90966%0.655SS**SBendtrans55.540-176.9-62.1-33.8000114.4P182P182-N184 VanDerWaalsContact C-N 3.3Å; P182-N184 PolarHBondContact O-N 2.95Å
185G95.6Very high96Very high55 Ų55132.3 Ų132.357%0.56768%0.681SS**  trans-77.9-133176.700000113.8H183 R187H183-G185 VanDerWaalsContact C-N 3.32Å; H183-G185 PolarHBondContact O-N 3.03Å; G185-R187 PolarHBondContact O-N 2.91Å
186C96.8Very high95.9Very high129 Ų129133.5 Ų133.587%0.87269%0.687SS**SBendtrans-57.3134.4-178.3-61.10000112.7P188C186-P188 WeakPolarHBondContact O-CD 3.41Å
187R97.1Very high95.8Very high231 Ų231136.9 Ų136.987%0.87270%0.701SS**PPolyproline II helixtrans-62122.6177.2-176.2178.7-179.2171.94110.7G185G185-R187 PolarHBondContact O-N 2.91Å
188P96.1Very high95.7Very high107 Ų107140.2 Ų140.270%0.69572%0.716SS**PPolyproline II helixtrans-66.8157.3173.728.2-34000110.9C186C186-P188 WeakPolarHBondContact O-CD 3.41Å
189R96.7Very high95.6Very high180 Ų180142.7 Ų142.768%0.67973%0.728SS**PPolyproline II helixtrans-53.3151.1176.270.3-179-171.7158.54.7111.5
190K97.8Very high95.5Very high174 Ų174150.1 Ų150.176%0.75776%0.763SS**PPolyproline II helixtrans-53.7140.8175.1-172.2178.8178177.10111.3
191A96.9Very high95.4Very high90 Ų90154.5 Ų154.574%0.74478%0.777SS**PPolyproline II helixtrans-56.3139.5172.900000110.9
192R96.3Very high95.4Very high166 Ų166156 Ų15663%0.62678%0.784SS**PPolyproline II helixtrans-86.5155.6178.2-67.1-175.8170.4-171.1-6.3109.9L194R192-L194 HydrophobicContact CB-CD1 4.49Å; R192-L194 HydrophobicContact CB-CG 4.4Å
193R95.9Very high95.4Very high241 Ų241160.8 Ų160.891%0.90980%0.796SS**  trans-100.214.4179.5-60.1-177.8172.8-160.3-3.1113.3
194L84.5Confident95.3Very high211 Ų211159.5 Ų159.5100%1.10579%0.794SS**  trans-65.70-175.5-70.1171.5000111.1R192R192-L194 HydrophobicContact CB-CD1 4.49Å; R192-L194 HydrophobicContact CB-CG 4.4Å

Retrieved 194 of 194 residues in 787.2 ms (Link to these results)