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Sclerostin

Negative regulator of bone growth that acts through inhibition of Wnt signaling and bone formation.

AlphaFold DB , UniProt , Accession Q99P67, Species RAT (Rattus norvegicus, Rat), Gene Sost, Length 213 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.7Very low73.3Confident230 Ų230117.3 Ų117.3100%1.13368%0.675SS**  074.50-69.8-72.8160.500108.7
2Q60.4Low74.4Confident200 Ų200117.9 Ų117.994%0.93567%0.673SS**  trans-97.192.7171.9-82177.3-25.700106.9S4Q2-S4 PolarHBondContact O-N 3.24Å
3L62.9Low75.3Confident160 Ų160117.8 Ų117.884%0.83867%0.668SS**  trans-65.5123.7168.3-81.5106.9000107.8L5L3-L5 PolarHBondContact O-N 3.2Å
4S69.4Low75.9Confident80 Ų80115.2 Ų115.256%0.55966%0.656SS**  trans-60.4129.1-179.445.50000110.2Q2 A6 P7Q2-S4 PolarHBondContact O-N 3.24Å; S4-A6 PolarHBondContact O-N 3.15Å; S4-P7 WeakPolarHBondContact O-CD 3.06Å; S4-P7 WeakPolarHBondContact O-CG 3.06Å
5L74.4Confident76.2Confident151 Ų151116.3 Ų116.379%0.79165%0.653SS**Hα-helixtrans-68.5-16.7176.8-82.5154.9000113.3L3 C8 L9L3-L5 PolarHBondContact O-N 3.2Å; L5-C8 PolarHBondContact O-N 2.92Å; L5-L9 PolarHBondContact O-N 3.35Å
6A76.6Confident76.4Confident73 Ų73112.8 Ų112.860%0.60364%0.643SS**Hα-helixtrans-60.3-49.5-178.100000114.8S4 C8 L9 A10S4-A6 PolarHBondContact O-N 3.15Å; A6-C8 VanDerWaalsContact C-N 3.33Å; A6-C8 PolarHBondContact O-N 2.74Å; A6-L9 PolarHBondContact O-N 3.07Å; A6-A10 PolarHBondContact O-N 3.46Å; A6-A10 VanDerWaalsContact O-N 3.14Å
7P79.6Confident76.5Confident69 Ų69109.5 Ų109.545%0.44863%0.633SS.*Hα-helixtrans-61.5-36.3177.621.2-35.5000113.6S4 A10 C11S4-P7 WeakPolarHBondContact O-CD 3.06Å; S4-P7 WeakPolarHBondContact O-CG 3.06Å; P7-A10 PolarHBondContact O-N 3.13Å; P7-C11 PolarHBondContact O-N 3.48Å; P7-C11 VanDerWaalsContact O-N 3.08Å
8C82Confident76.3Confident84 Ų84111.3 Ų111.357%0.56863%0.632SS**Hα-helixtrans-66.2-41.3178.3-73.90000112.2L5 A6 A10 C11 L12L5-C8 PolarHBondContact O-N 2.92Å; A6-C8 VanDerWaalsContact C-N 3.33Å; A6-C8 PolarHBondContact O-N 2.74Å; C8-A10 VanDerWaalsContact C-N 3.34Å; C8-C11 PolarHBondContact O-N 3.39Å; C8-L12 WeakPolarHBondContact O-CG 3.49Å; C8-L12 PolarHBondContact O-N 2.74Å; C8-L12 VanDerWaalsContact O-N 3.13Å
9L84.6Confident76.1Confident112 Ų112110.6 Ų110.659%0.58663%0.63SS**Hα-helixtrans-68.9-35.7179.9-147.9139.2000111.4L5 A6 L12 L13L5-L9 PolarHBondContact O-N 3.35Å; A6-L9 PolarHBondContact O-N 3.07Å; L9-L12 PolarHBondContact O-N 2.98Å; L9-L13 HydrophobicContact CD2-CD1 4.11Å; L9-L13 WeakPolarHBondContact O-CG 3.25Å; L9-L13 PolarHBondContact O-N 2.03Å; L9-L13 VanDerWaalsContact O-N 3.16Å
10A83.2Confident75.7Confident53 Ų53107.7 Ų107.744%0.43862%0.62SS.*Hα-helixtrans-63.6-42.8172.500000112.4A6 P7 C8 L12 L13 V14A6-A10 PolarHBondContact O-N 3.46Å; A6-A10 VanDerWaalsContact O-N 3.14Å; P7-A10 PolarHBondContact O-N 3.13Å; C8-A10 VanDerWaalsContact C-N 3.34Å; A10-L12 PolarHBondContact O-N 3.33Å; A10-L13 PolarHBondContact O-N 2.91Å; A10-V14 WeakPolarHBondContact O-CG2 3.47Å; A10-V14 PolarHBondContact O-N 2.76Å; A10-V14 VanDerWaalsContact O-N 3.1Å
11C84.5Confident75.1Confident78 Ų78107.9 Ų107.953%0.52762%0.623SS.*Hα-helixtrans-61.7-42176.2-76.50000112.4P7 C8 L13 V14 H15P7-C11 PolarHBondContact O-N 3.48Å; P7-C11 VanDerWaalsContact O-N 3.08Å; C8-C11 PolarHBondContact O-N 3.39Å; C11-L13 PolarHBondContact O-N 2.91Å; C11-V14 PolarHBondContact O-N 2.89Å; C11-H15 PolarHBondContact O-CD2 3.35Å; C11-H15 VanDerWaalsContact O-CD2 3.27Å; C11-H15 PolarHBondContact O-N 2.89Å
12L85.9Confident75.6Confident125 Ų125104.9 Ų104.965%0.65461%0.606SS**Hα-helixtrans-64.3-39.7178.3-70.3174.5000112.3C8 L9 A10 H15 A16C8-L12 WeakPolarHBondContact O-CG 3.49Å; C8-L12 PolarHBondContact O-N 2.74Å; C8-L12 VanDerWaalsContact O-N 3.13Å; L9-L12 PolarHBondContact O-N 2.98Å; A10-L12 PolarHBondContact O-N 3.33Å; L12-H15 PolarHBondContact O-N 3.04Å; L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 2.75Å
13L86.5Confident75.4Confident116 Ų116100 Ų10061%0.60759%0.594SS**Hα-helixtrans-65.6-38.9176.3-71.5173.2000112.4L9 A10 C11 A16 A17L9-L13 HydrophobicContact CD2-CD1 4.11Å; L9-L13 WeakPolarHBondContact O-CG 3.25Å; L9-L13 PolarHBondContact O-N 2.03Å; L9-L13 VanDerWaalsContact O-N 3.16Å; A10-L13 PolarHBondContact O-N 2.91Å; C11-L13 PolarHBondContact O-N 2.91Å; L13-A16 PolarHBondContact O-N 2.87Å; L13-A17 WeakPolarHBondContact O-CB 3.34Å; L13-A17 PolarHBondContact O-N 3.41Å
14V83.4Confident75Confident82 Ų8299.7 Ų99.750%0.49759%0.588SS.*Hα-helixtrans-65.2-44175.81740000110.8A10 C11 A16 A17 F18A10-V14 WeakPolarHBondContact O-CG2 3.47Å; A10-V14 PolarHBondContact O-N 2.76Å; A10-V14 VanDerWaalsContact O-N 3.1Å; C11-V14 PolarHBondContact O-N 2.89Å; V14-A16 PolarHBondContact O-N 2.84Å; V14-A17 PolarHBondContact O-N 2.8Å; V14-F18 HydrophobicContact CG1-CD2 3.89Å; V14-F18 HydrophobicContact CG1-CE2 4.01Å; V14-F18 WeakPolarHBondContact O-CD2 3.39Å; V14-F18 PolarHBondContact O-N 3.25Å
15H81Confident74.2Confident132 Ų13298.9 Ų98.961%0.61159%0.593SS**Hα-helixtrans-63.2-41.9176.3-84.1-72.9000112.5C11 L12 A17 F18 V19C11-H15 PolarHBondContact O-CD2 3.35Å; C11-H15 VanDerWaalsContact O-CD2 3.27Å; C11-H15 PolarHBondContact O-N 2.89Å; L12-H15 PolarHBondContact O-N 3.04Å; H15-A17 VanDerWaalsContact C-N 3.32Å; H15-A17 PolarHBondContact O-N 2.89Å; H15-F18 PolarHBondContact O-N 2.83Å; H15-V19 WeakPolarHBondContact O-CG2 3.09Å; H15-V19 PolarHBondContact O-N 3.25Å
16A79.3Confident73.4Confident60 Ų60103.9 Ų103.950%0.49660%0.601SS.*Hα-helixtrans-62.7-38.5176.100000112.3L12 L13 V14 A20L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 2.75Å; L13-A16 PolarHBondContact O-N 2.87Å; V14-A16 PolarHBondContact O-N 2.84Å; A16-A20 WeakPolarHBondContact O-CB 3.25Å; A16-A20 PolarHBondContact O-N 2.81Å
17A77.7Confident72.5Confident56 Ų56108.8 Ų108.846%0.46361%0.611SS.*Hα-helixtrans-67.4-38.7176.600000112.7L13 V14 H15 V21L13-A17 WeakPolarHBondContact O-CB 3.34Å; L13-A17 PolarHBondContact O-N 3.41Å; V14-A17 PolarHBondContact O-N 2.8Å; H15-A17 VanDerWaalsContact C-N 3.32Å; H15-A17 PolarHBondContact O-N 2.89Å; A17-V21 WeakPolarHBondContact O-CG2 3.41Å; A17-V21 PolarHBondContact O-N 2.83Å
18F73.1Confident71.4Confident142 Ų142110 Ų11062%0.62363%0.627SS**Hα-helixtrans-67.4-42.4176.7-94-86.8000112.3V14 H15 A20 V21 E22V14-F18 HydrophobicContact CG1-CD2 3.89Å; V14-F18 HydrophobicContact CG1-CE2 4.01Å; V14-F18 WeakPolarHBondContact O-CD2 3.39Å; V14-F18 PolarHBondContact O-N 3.25Å; H15-F18 PolarHBondContact O-N 2.83Å; F18-A20 VanDerWaalsContact C-N 3.35Å; F18-A20 PolarHBondContact O-N 2.75Å; F18-V21 PolarHBondContact O-N 2.86Å; F18-E22 PolarHBondContact O-N 2.79Å; F18-E22 VanDerWaalsContact O-N 3.15Å
19V72.7Confident70.1Confident99 Ų99114.9 Ų114.960%0.664%0.639SS**Hα-helixtrans-66.9-36177.8175.70000111.7H15 S23H15-V19 WeakPolarHBondContact O-CG2 3.09Å; H15-V19 PolarHBondContact O-N 3.25Å; V19-S23 PolarHBondContact O-N 3.38Å
20A67.1Low68.6Low51 Ų51118.2 Ų118.242%0.42165%0.649SS.*Hα-helixtrans-63.4-40.9175.600000112.2A16 F18 S23A16-A20 WeakPolarHBondContact O-CB 3.25Å; A16-A20 PolarHBondContact O-N 2.81Å; F18-A20 VanDerWaalsContact C-N 3.35Å; F18-A20 PolarHBondContact O-N 2.75Å; A20-S23 PolarHBondContact O-N 3.29Å; A20-S23 PolarHBondContact O-OG 3.36Å
21V63.6Low67.7Low112 Ų112122.2 Ų122.268%0.67966%0.663SS**Hα-helixtrans-71.3-35.8-179.6171.50000112.3A17 F18 S23 Q24A17-V21 WeakPolarHBondContact O-CG2 3.41Å; A17-V21 PolarHBondContact O-N 2.83Å; F18-V21 PolarHBondContact O-N 2.86Å; V21-S23 VanDerWaalsContact C-N 3.29Å; V21-S23 PolarHBondContact O-N 3.47Å; V21-Q24 PolarHBondContact O-N 3.02Å
22E60.2Low66.5Low168 Ų168125 Ų12579%0.78567%0.672SS**Hα-helixtrans-70.8-24176.9-107.8170.9170.100113.4F18 Q24F18-E22 PolarHBondContact O-N 2.79Å; F18-E22 VanDerWaalsContact O-N 3.15Å; E22-Q24 VanDerWaalsContact C-N 3.29Å; E22-Q24 PolarHBondContact O-N 2.76Å
23S56.2Low64.9Low96 Ų96123.9 Ų123.967%0.67168%0.681SS**THydrogen-bonded Turntrans-77.1-12.4177.373.50000114.3V19 A20 V21 G25V19-S23 PolarHBondContact O-N 3.38Å; A20-S23 PolarHBondContact O-N 3.29Å; A20-S23 PolarHBondContact O-OG 3.36Å; V21-S23 VanDerWaalsContact C-N 3.29Å; V21-S23 PolarHBondContact O-N 3.47Å; S23-G25 PolarHBondContact O-N 3.43Å
24Q54.9Low63.6Low155 Ų155124.2 Ų124.272%0.72469%0.688SS**  trans-100.968.4179.4-117.7149.9-300110.7V21 E22 W26V21-Q24 PolarHBondContact O-N 3.02Å; E22-Q24 VanDerWaalsContact C-N 3.29Å; E22-Q24 PolarHBondContact O-N 2.76Å; Q24-W26 PolarHBondContact O-N 2.91Å
25G52.6Low62.5Low63 Ų63128.9 Ų128.965%0.64971%0.705SS**  trans-53.6132.7169.100000111S23 Q27S23-G25 PolarHBondContact O-N 3.43Å; G25-Q27 PolarHBondContact O-N 2.8Å; G25-Q27 VanDerWaalsContact O-N 3.11Å
26W56.3Low61.5Low256 Ų256129.8 Ų129.897%0.9771%0.713SS**  trans-64.8113.3-176.5-64.75.1000109.9Q24 A28Q24-W26 PolarHBondContact O-N 2.91Å; W26-A28 PolarHBondContact O-N 3.43Å
27Q58.2Low60.5Low175 Ų175133.8 Ų133.882%0.81872%0.724SS**  trans-61.3125.7171.9-78.2-92.8-26.700109.1G25 F29G25-Q27 PolarHBondContact O-N 2.8Å; G25-Q27 VanDerWaalsContact O-N 3.11Å; Q27-F29 PolarHBondContact O-N 2.81Å
28A56Low59.5Low94 Ų94136.4 Ų136.478%0.77774%0.736SS**  trans-65.8113.4176.800000109.8W26 K30W26-A28 PolarHBondContact O-N 3.43Å; A28-K30 PolarHBondContact O-N 2.8Å
29F56.2Low58.5Low187 Ų187133.1 Ų133.182%0.8274%0.742SS**  trans-72114.7170.4-95.9-93.9000109.5Q27Q27-F29 PolarHBondContact O-N 2.81Å
30K52.1Low57.3Low182 Ų182136.5 Ų136.579%0.79176%0.756SS**  trans-93.2115163.3-80.2-178.2175.1-177.70107.9A28A28-K30 PolarHBondContact O-N 2.8Å
31N64Low56.4Low138 Ų138144.6 Ų144.674%0.73878%0.776SS**  trans-9995171.3-61.1-17.3000107A33N31-A33 PolarHBondContact O-N 3.28Å
32D58.8Low55.7Low135 Ų135148.4 Ų148.472%0.72279%0.786SS**  trans-76.6112.7168.3-68-24.8000107.1T34D32-T34 PolarHBondContact O-N 2.86Å
33A52.4Low55.5Low102 Ų102150.2 Ų150.284%0.84379%0.788SS**  trans-67.4101.517700000109N31N31-A33 PolarHBondContact O-N 3.28Å
34T60.4Low55.3Low123 Ų123151.5 Ų151.576%0.75579%0.793SS**  trans-88.1107.1172.837.10000109.8D32 I36D32-T34 PolarHBondContact O-N 2.86Å; T34-I36 PolarHBondContact O-N 2.77Å
35E59.8Low55Low180 Ų180152.1 Ų152.184%0.84180%0.796SS**  trans-74.6116.9165-65.7-173176.300109I37E35-I37 PolarHBondContact O-N 3.1Å
36I60.2Low55.1Low152 Ų152154.1 Ų154.178%0.77980%0.798SS**  trans-87.3101.4173.7-56.8172.5000107.3T34 P38T34-I36 PolarHBondContact O-N 2.77Å; I36-P38 WeakPolarHBondContact O-CD 3.49Å
37I57.1Low54.8Low144 Ų144148.2 Ų148.274%0.73879%0.792SS**PPolyproline II helixtrans-82117.1169.5-60.7165.4000107.5E35 G39E35-I37 PolarHBondContact O-N 3.1Å; I37-G39 PolarHBondContact O-N 2.75Å
38P57.9Low54.2Low110 Ų110148.3 Ų148.371%0.71479%0.793SS**PPolyproline II helixtrans-68.9118.5177.1-9.124.5000109I36 L40I36-P38 WeakPolarHBondContact O-CD 3.49Å; P38-L40 PolarHBondContact O-N 3.04Å
39G51.4Low53.8Low73 Ų73153.2 Ų153.275%0.75380%0.8SS**PPolyproline II helixtrans-59.8120.3170.400000109.8I37 R41I37-G39 PolarHBondContact O-N 2.75Å; G39-R41 PolarHBondContact O-N 2.94Å
40L48Very low53.5Low171 Ų171152.1 Ų152.190%0.89580%0.801SS**PPolyproline II helixtrans-57.1120.7176.2-128.891.9000108.7P38 E42P38-L40 PolarHBondContact O-N 3.04Å; L40-E42 PolarHBondContact O-N 3.35Å
41R48.3Very low53.1Low221 Ų221151.8 Ų151.883%0.83480%0.803SS**PPolyproline II helixtrans-65.7123.5177.1-147.3177.9-171.3-169.41.6108.6G39 Y43G39-R41 PolarHBondContact O-N 2.94Å; R41-Y43 WeakPolarHBondContact O-CD2 3.4Å; R41-Y43 PolarHBondContact O-N 3.28Å
42E49.4Very low52.5Low191 Ų191151.6 Ų151.689%0.89380%0.802SS**PPolyproline II helixtrans-59.4118.2174.9-148.7153.2-158.300109.1L40L40-E42 PolarHBondContact O-N 3.35Å
43Y54.5Low52.6Low207 Ų207151 Ų15181%0.81280%0.798SS**PPolyproline II helixtrans-90.3138.4174.3-80.7-91.2000109.2R41R41-Y43 WeakPolarHBondContact O-CD2 3.4Å; R41-Y43 PolarHBondContact O-N 3.28Å
44P51.9Low52.7Low122 Ų122155.5 Ų155.579%0.79280%0.802SS**PPolyproline II helixtrans-71.4135.1178-7.723.9000111
45E49.7Very low52.8Low169 Ų169154.9 Ų154.979%0.7980%0.798SS**PPolyproline II helixtrans-68133180-150.8-168.6169.400112
46P54.3Low53Low105 Ų105155.3 Ų155.368%0.68280%0.803SS**PPolyproline II helixtrans-87.5149168.432.7-29.5000111.7
47P50.7Low53.2Low131 Ų131155 Ų15585%0.85180%0.802SS**PPolyproline II helixtrans-72.3151.6-175.2-11.627.6000113.7
48Q45.2Very low53.8Low177 Ų177159.6 Ų159.683%0.82781%0.81SS**PPolyproline II helixtrans-73.7135.7-170.6-61.1173.8-29.900114.1
49E48.3Very low54.1Low197 Ų197158.3 Ų158.392%0.92181%0.81SS**  trans-126.9111.7160.5-75-166148.900111.8
50L48.2Very low54.6Low164 Ų164164 Ų16486%0.85982%0.816SS**  trans16.2118.3151.5-13380.4000121.8
51E45Very low55.3Low176 Ų176163.3 Ų163.382%0.82281%0.814SS**  trans32.6113140.5-109.5-174.9141.100121
52N51.9Low55.8Low134 Ų134156.5 Ų156.572%0.71781%0.812SS**  -171.9126.9120.9-124.5-9.1000113.8
53N59.4Low56.2Low121 Ų121150.9 Ų150.965%0.64781%0.805SS**  trans69.8103.5140.3-56.8-21.8000122.2
54Q54.9Low56.5Low197 Ų197151.2 Ų151.292%0.92181%0.805SS**  trans32.991.2136.2-62.1-17815.900117
55T62.5Low57.1Low110 Ų110150.2 Ų150.268%0.67580%0.798SS**  trans-114.2116.1162.3151.70000109.2N57T55-N57 PolarHBondContact O-N 3.29Å; T55-N57 PolarHBondContact OG1-OD1 3.09Å; T55-N57 VanDerWaalsContact OG1-OD1 3.05Å
56M63.3Low57.6Low190 Ų190146.9 Ų146.994%0.93679%0.791SS**  trans-74.3104.3171.9-81.4-117.9-69.100109.6R58M56-R58 PolarHBondContact O-N 2.92Å
57N64.3Low57.5Low145 Ų145149 Ų14978%0.77579%0.792SS**  trans-80.6105.5174.9-56-25000108.8T55T55-N57 PolarHBondContact O-N 3.29Å; T55-N57 PolarHBondContact OG1-OD1 3.09Å; T55-N57 VanDerWaalsContact OG1-OD1 3.05Å
58R71.4Confident57.8Low240 Ų240149.9 Ų149.991%0.90679%0.785SS**  trans-86.6118.7171.3-171.4176.3-179.3115.4-1.6108.9M56 E60M56-R58 PolarHBondContact O-N 2.92Å; R58-E60 PolarHBondContact O-N 3Å
59A63.9Low58.2Low84 Ų84146 Ų14669%0.69478%0.775SS**  trans-65.8124.4173.300000110N61A59-N61 PolarHBondContact O-N 2.65Å
60E61Low58.2Low192 Ų192146.7 Ų146.790%0.89777%0.77SS**  trans-81.3114.5172.4-157.9175.2-164.300108.2R58 G62R58-E60 PolarHBondContact O-N 3Å; E60-G62 PolarHBondContact O-N 3.45Å
61N63.3Low58.3Low157 Ų157145 Ų14584%0.8476%0.762SS**  trans-69.1100.2174.4-80.6-2.3000108.7A59 G63A59-N61 PolarHBondContact O-N 2.65Å; N61-G63 PolarHBondContact O-N 2.83Å
62G59.3Low58.7Low77 Ų77142.2 Ų142.279%0.79476%0.757SS**  trans-63.496168.800000110.3E60 R64E60-G62 PolarHBondContact O-N 3.45Å; G62-R64 PolarHBondContact O-N 3.45Å
63G56.5Low58.7Low73 Ų73143.5 Ų143.575%0.75376%0.757SS**  trans-64.4101.8170.800000109.7N61 P65N61-G63 PolarHBondContact O-N 2.83Å; G63-P65 WeakPolarHBondContact O-CD 3.45Å
64R61.5Low58.2Low214 Ų214145.4 Ų145.481%0.80877%0.767SS**PPolyproline II helixtrans-67.1119.2171.9-164.7179.4-151.2-171.55.9108G62G62-R64 PolarHBondContact O-N 3.45Å
65P64.9Low58.2Low101 Ų101139.1 Ų139.166%0.65674%0.742SS**PPolyproline II helixtrans-61.1149.2173.524.7-30.4000109.2G63 H67G63-P65 WeakPolarHBondContact O-CD 3.45Å; P65-H67 PolarHBondContact O-N 2.86Å
66P60.7Low58.2Low99 Ų99137.3 Ų137.364%0.64373%0.733SS**PPolyproline II helixtrans-56.8118.7-178.222.4-31.1000109.1H68P66-H68 VanDerWaalsContact C-N 3.29Å; P66-H68 PolarHBondContact O-N 3.43Å
67H52.1Low58.2Low151 Ų151135.1 Ų135.170%0.69972%0.721SS**  trans-70.291.4173.8-165.8-73.8000106.9P65 P69P65-H67 PolarHBondContact O-N 2.86Å; H67-P69 WeakPolarHBondContact O-CD 3.35Å
68H56.8Low58.7Low149 Ų149135.6 Ų135.669%0.6971%0.713SS**  trans-66.5111.4166.4-71.7-63.2000106.8P66 Y70P66-H68 VanDerWaalsContact C-N 3.29Å; P66-H68 PolarHBondContact O-N 3.43Å; H68-Y70 PolarHBondContact O-N 2.92Å
69P52.3Low59.1Low96 Ų96125.5 Ų125.562%0.62368%0.679SS**  trans-65107.9169.95.310000105.1H67 D71H67-P69 WeakPolarHBondContact O-CD 3.35Å; P69-D71 PolarHBondContact O-N 2.88Å
70Y48.5Very low60.2Low210 Ų210122.9 Ų122.982%0.82466%0.655SS**  trans-6398.6154.4-113.6-92.2000104.1H68 T72H68-Y70 PolarHBondContact O-N 2.92Å; Y70-T72 PolarHBondContact O-N 3.39Å
71D50.5Low61.6Low129 Ų129118.4 Ų118.469%0.6963%0.63SS**  trans-61.784.5162.4-93.8-15000105.8P69 K73P69-D71 PolarHBondContact O-N 2.88Å; D71-K73 HydrophobicContact CB-CG 4.47Å; D71-K73 PolarHBondContact O-N 2.02Å
72T53.1Low63Low117 Ų117114.8 Ų114.872%0.71861%0.608SS**  trans-63.870.4148.534.40000105.9Y70 D74Y70-T72 PolarHBondContact O-N 3.39Å; T72-D74 PolarHBondContact O-N 2.8Å
73K53.1Low64.5Low162 Ų162115.6 Ų115.670%0.70459%0.594SS**  trans-50.7115.2156.3-87.1-179.3178.4176.20103.9D71 V75D71-K73 HydrophobicContact CB-CG 4.47Å; D71-K73 PolarHBondContact O-N 2.02Å; K73-V75 WeakPolarHBondContact O-CG2 3.36Å; K73-V75 PolarHBondContact O-N 2.74Å
74D49.6Very low66.3Low161 Ų161118.1 Ų118.186%0.86159%0.586SS**  trans-49.388.5-177.8-65.7-59.3000110T72 S76T72-D74 PolarHBondContact O-N 2.8Å; D74-S76 PolarHBondContact O-N 3.42Å
75V54.7Low67.7Low64 Ų64114.5 Ų114.539%0.38857%0.573SS.*  trans-8687-177.8-158.30000105.1K73 E77 R81K73-V75 WeakPolarHBondContact O-CG2 3.36Å; K73-V75 PolarHBondContact O-N 2.74Å; V75-E77 PolarHBondContact O-N 2.91Å; V75-E77 VanDerWaalsContact O-N 3.11Å; V75-R81 HydrophobicContact CG1-CG 3.97Å; V75-R81 PolarHBondContact O-NH2 2.03Å
76S60.8Low69.2Low72 Ų72113.9 Ų113.950%0.50357%0.568SS.*  trans-29.4120.1168.551.70000109.7D74 Y78 S79D74-S76 PolarHBondContact O-N 3.42Å; S76-Y78 PolarHBondContact O-N 3.46Å; S76-S79 PolarHBondContact O-N 3.07Å; S76-S79 PolarHBondContact O-OG 2.91Å; S76-S79 WeakPolarHBondContact OG-CB 3.32Å; S76-S79 PolarHBondContact OG-OG 2.79Å
77E64.8Low70.8Confident145 Ų145114.6 Ų114.668%0.67856%0.557SS**THydrogen-bonded Turntrans-52.6-29.3-175.5-65.8179.6164.800110.9V75 Q108V75-E77 PolarHBondContact O-N 2.91Å; V75-E77 VanDerWaalsContact O-N 3.11Å; E77-Q108 WeakPolarHBondContact O-CB 2.97Å
78Y73.4Confident72.8Confident155 Ų155111.3 Ų111.361%0.60854%0.541SS*.THydrogen-bonded Turntrans-100.755.9178.5-59.6-81.5000113.9S76 Q108S76-Y78 PolarHBondContact O-N 3.46Å; Y78-Q108 CarbonylContact C-O 3.58Å; Y78-Q108 VanDerWaalsContact CA-O 3.32Å; Y78-Q108 WeakPolarHBondContact CA-O 3.26Å; Y78-Q108 HydrophobicContact CD1-CB 4.45Å
79S79.8Confident74.6Confident28 Ų28104.6 Ų104.620%0.19651%0.511CS..  trans-131.5144.5168.658.50000112.6S76 R81 G107 Q108S76-S79 PolarHBondContact O-N 3.07Å; S76-S79 PolarHBondContact O-OG 2.91Å; S76-S79 WeakPolarHBondContact OG-CB 3.32Å; S76-S79 PolarHBondContact OG-OG 2.79Å; S79-R81 PolarHBondContact O-N 2.04Å; S79-G107 WeakPolarHBondContact O-CA 3.39Å; S79-Q108 CarbonylContact C-O 3.58Å; S79-Q108 PolarHBondContact N-O 3.11Å; S79-Q108 PolarHBondContact O-N 2.98Å
80C88.1Confident76.6Confident28 Ų28104.1 Ų104.119%0.18951%0.507CS..EExtended strand (participates in β ladder)trans-83.3107.9171.2-179.20000108.5C134 C165 C167C80-C134 VanDerWaalsContact CA-SG 3.57Å; C80-C134 HydrophobicContact CB-CB 3.75Å; C80-C134 WeakPolarHBondContact CB-SG 3.5Å; C80-C134 VanDerWaalsContact SG-CA 3.54Å; C80-C134 WeakPolarHBondContact SG-CB 3.42Å; C80-C134 CovalentContact SG-SG 2.03Å; C80-C134 PolarHBondContact SG-SG 2.85Å; C80-C165 VanDerWaalsContact SG-CB 3.58Å; C80-C167 VanDerWaalsContact CB-SG 3.54Å
81R89.3Confident78.7Confident98 Ų9897.3 Ų97.337%0.3748%0.484SS..EExtended strand (participates in β ladder)trans-91.8147-176.4-53.7179.1-164.7-162.1-4.2111V75 S79 S106V75-R81 HydrophobicContact CG1-CG 3.97Å; V75-R81 PolarHBondContact O-NH2 2.03Å; S79-R81 PolarHBondContact O-N 2.04Å; R81-S106 WeakPolarHBondContact CA-O 3.29Å; R81-S106 WeakPolarHBondContact CB-O 3.47Å; R81-S106 PolarHBondContact N-O 3.17Å; R81-S106 PolarHBondContact O-N 3.27Å; R81-S106 VanDerWaalsContact O-N 3.07Å; R81-S106 VanDerWaalsContact O-O 3.08Å
82E92.5Very high80.6Confident82 Ų8294.6 Ų94.638%0.38349%0.486SS..EExtended strand (participates in β ladder)trans-102.3101.6176-62.2-171.616300109.5H84 L103 S164 C165E82-H84 PolarHBondContact O-ND1 3.27Å; E82-L103 HydrophobicContact CB-CD1 4.02Å; E82-L103 HydrophobicContact CB-CD2 3.96Å; E82-L103 HydrophobicContact CB-CG 4.12Å; E82-L103 HydrophobicContact CG-CD1 4.31Å; E82-L103 HydrophobicContact CG-CD2 4.09Å; E82-S164 WeakPolarHBondContact OE1-CA 3.49Å; E82-C165 HydrophobicContact CG-CB 3.97Å; E82-C165 PolarHBondContact OE1-N 2.96Å
83L92.2Very high82.5Confident93 Ų9393.8 Ų93.849%0.48748%0.483SS..EExtended strand (participates in β ladder)trans-88.3121177-63.8-179.8000109.8L103 V104 S106L83-L103 CarbonylContact O-C 3.41Å; L83-L103 WeakPolarHBondContact O-CA 3.11Å; L83-V104 HydrophobicContact CB-CB 4.41Å; L83-V104 PolarHBondContact N-O 2.7Å; L83-V104 PolarHBondContact O-N 3.01Å; L83-S106 WeakPolarHBondContact CD1-OG 3.5Å; L83-S106 WeakPolarHBondContact CG-OG 3.21Å
84H93Very high84.4Confident126 Ų12686.2 Ų86.258%0.58345%0.451SS*.EExtended strand (participates in β ladder)trans-93.2124.4179.3-68.873.5000109.9E82E82-H84 PolarHBondContact O-ND1 3.27Å
85Y92.5Very high86.6Confident138 Ų13885 Ų8554%0.54143%0.434SS..EExtended strand (participates in β ladder)trans-123.8127.4178.9178.5-111.2000110.5R87 E102Y85-R87 HydrophobicContact CD1-CB 4.16Å; Y85-R87 HydrophobicContact CD1-CG 4.33Å; Y85-R87 HydrophobicContact CE1-CB 3.55Å; Y85-R87 HydrophobicContact CE1-CG 4.04Å; Y85-E102 PolarHBondContact N-O 3.26Å; Y85-E102 PolarHBondContact O-N 3.01Å
86T94.8Very high88.5Confident89 Ų8982.2 Ų82.255%0.54642%0.417SS..EExtended strand (participates in β ladder)trans-99.2124.1178.149.70000110.8V100 T101T86-V100 WeakPolarHBondContact CA-O 3.41Å; T86-T101 HydrophobicContact CG2-CG2 3.62Å
87R94.5Very high90Very high113 Ų11381.4 Ų81.443%0.42642%0.415SS..EExtended strand (participates in β ladder)trans-139.8154.6175.269.1-174.6-138.3107.44.3113.3Y85 V100 E102Y85-R87 HydrophobicContact CD1-CB 4.16Å; Y85-R87 HydrophobicContact CD1-CG 4.33Å; Y85-R87 HydrophobicContact CE1-CB 3.55Å; Y85-R87 HydrophobicContact CE1-CG 4.04Å; R87-V100 PolarHBondContact N-O 3.21Å; R87-V100 PolarHBondContact O-N 3.18Å; R87-E102 WeakPolarHBondContact CD-OE2 3.4Å; R87-E102 IonicContact NE-OE2 2.65Å; R87-E102 PolarHBondContact NE-OE2 2.91Å
88F94.9Very high91.4Very high82 Ų8282.4 Ų82.436%0.3642%0.417SS..  trans-79.3141.1169.2-69.6-90.8000110R95 S96 P99F88-R95 HydrophobicContact CB-CG 4.46Å; F88-S96 WeakPolarHBondContact CD1-O 3.37Å; F88-P99 HydrophobicContact CD1-CB 4.48Å; F88-P99 HydrophobicContact CD2-CB 4.43Å; F88-P99 HydrophobicContact CE1-CB 4.25Å; F88-P99 HydrophobicContact CE2-CB 4.19Å; F88-P99 HydrophobicContact CZ-CB 4.09Å; F88-P99 HydrophobicContact CZ-CG 4.3Å
89V94.4Very high92.4Very high9 Ų978.3 Ų78.36%0.05541%0.41CS..  trans-95.1124.9176.21790000108.1S96 V100 L146 V159V89-S96 PolarHBondContact N-OG 3.45Å; V89-S96 WeakPolarHBondContact O-CB 3.44Å; V89-S96 PolarHBondContact O-N 2.69Å; V89-V100 HydrophobicContact CG2-CB 4.11Å; V89-V100 HydrophobicContact CG2-CG2 3.72Å; V89-L146 HydrophobicContact CG1-CD2 4.48Å; V89-V159 HydrophobicContact CG1-CG2 4.18Å; V89-V159 HydrophobicContact CG2-CG2 4.47Å
90T94Very high93.1Very high86 Ų8677.1 Ų77.153%0.52840%0.401SS..EExtended strand (participates in β ladder)trans-110.9146.7175.752.10000110.5C94 R95 R157T90-C94 WeakPolarHBondContact CA-O 3.33Å; T90-R95 HydrophobicContact CG2-CB 4.32Å; T90-R95 HydrophobicContact CG2-CG 4.16Å; T90-R157 PolarHBondContact O-NH1 3.13Å
91D92.5Very high93.4Very high67 Ų6778.8 Ų78.836%0.35841%0.411SS..EExtended strand (participates in β ladder)trans-143.996.1176.6-162.516.7000109C94 L146 R157D91-C94 PolarHBondContact N-O 3.46Å; D91-C94 WeakPolarHBondContact O-CB 3.44Å; D91-C94 PolarHBondContact O-N 3.45Å; D91-L146 HydrophobicContact CB-CD1 3.63Å; D91-R157 IonicContact OD1-CZ 3.96Å; D91-R157 IonicContact OD1-NH1 3.41Å; D91-R157 PolarHBondContact OD1-NH1 3.47Å; D91-R157 IonicContact OD2-NE 3.98Å; D91-R157 IonicContact OD2-NH1 3.84Å
92G91.4Very high93.6Very high71 Ų7177.1 Ų77.173%0.73241%0.407SS*.THydrogen-bonded Turntrans56.1-124.4-170.400000111.7C94G92-C94 PolarHBondContact O-N 3.35Å
93P92.1Very high93.6Very high101 Ų10173.3 Ų73.366%0.65639%0.389SS*.THydrogen-bonded Turntrans-75.3-9179.332.9-35.7000113.4P149P93-P149 HydrophobicContact CB-CG 3.91Å; P93-P149 WeakPolarHBondContact O-CD 3.31Å
94C93.7Very high93.7Very high3 Ų372.3 Ų72.32%0.0239%0.387CS..EExtended strand (participates in β ladder)trans-95.4144.8-174-46.70000112.1T90 D91 G92 L146 L147 C148T90-C94 WeakPolarHBondContact CA-O 3.33Å; D91-C94 PolarHBondContact N-O 3.46Å; D91-C94 WeakPolarHBondContact O-CB 3.44Å; D91-C94 PolarHBondContact O-N 3.45Å; G92-C94 PolarHBondContact O-N 3.35Å; C94-L146 HydrophobicContact CB-CB 4.07Å; C94-L147 CarbonylContact C-O 3.6Å; C94-L147 VanDerWaalsContact CA-O 3.25Å; C94-L147 WeakPolarHBondContact CA-O 3.4Å; C94-C148 HydrophobicContact CB-CB 4.01Å; C94-C148 WeakPolarHBondContact CB-SG 3.45Å; C94-C148 WeakPolarHBondContact SG-CB 3.06Å; C94-C148 CovalentContact SG-SG 2.03Å; C94-C148 PolarHBondContact SG-SG 3.32Å
95R95Very high93.8Very high135 Ų13567.7 Ų67.751%0.50937%0.368SS..EExtended strand (participates in β ladder)trans-128.1144.6178.4-179175173.3169.4-1.3111.2F88 T90 L147F88-R95 HydrophobicContact CB-CG 4.46Å; T90-R95 HydrophobicContact CG2-CB 4.32Å; T90-R95 HydrophobicContact CG2-CG 4.16Å; R95-L147 PolarHBondContact N-O 3.08Å; R95-L147 PolarHBondContact O-N 3.08Å
96S95.1Very high93.7Very high5 Ų563 Ų634%0.03536%0.355CS..EExtended strand (participates in β ladder)trans-63.7138.5176.868.10000112.3F88 V89 K98 V144 Q145F88-S96 WeakPolarHBondContact CD1-O 3.37Å; V89-S96 PolarHBondContact N-OG 3.45Å; V89-S96 WeakPolarHBondContact O-CB 3.44Å; V89-S96 PolarHBondContact O-N 2.69Å; S96-K98 VanDerWaalsContact C-N 3.28Å; S96-K98 WeakPolarHBondContact CB-O 3.37Å; S96-K98 PolarHBondContact O-N 3.17Å; S96-K98 PolarHBondContact OG-O 3.04Å; S96-V144 VanDerWaalsContact CB-CG1 3.49Å; S96-Q145 WeakPolarHBondContact CA-O 3.11Å
97A91.3Very high93.3Very high56 Ų5660.5 Ų60.546%0.46335%0.348SS..SBendtrans-66.5-33175.200000112.1Q145 L147A97-Q145 PolarHBondContact N-O 3.14Å; A97-L147 HydrophobicContact CB-CD1 3.73Å; A97-L147 HydrophobicContact CB-CG 4.05Å
98K94.2Very high92.8Very high166 Ų16660.8 Ų60.872%0.72235%0.354SS*.SBendtrans-119.3146.7179.8-64.5-175.7-179.9-177.40110.6S96S96-K98 VanDerWaalsContact C-N 3.28Å; S96-K98 WeakPolarHBondContact CB-O 3.37Å; S96-K98 PolarHBondContact O-N 3.17Å; S96-K98 PolarHBondContact OG-O 3.04Å
99P95.1Very high92.3Very high69 Ų6957.7 Ų57.745%0.44834%0.343SS..  trans-68152.2169.130.7-34.3000110F88F88-P99 HydrophobicContact CD1-CB 4.48Å; F88-P99 HydrophobicContact CD2-CB 4.43Å; F88-P99 HydrophobicContact CE1-CB 4.25Å; F88-P99 HydrophobicContact CE2-CB 4.19Å; F88-P99 HydrophobicContact CZ-CB 4.09Å; F88-P99 HydrophobicContact CZ-CG 4.3Å
100V94.1Very high91.5Very high3 Ų358.4 Ų58.42%0.01835%0.351CS..EExtended strand (participates in β ladder)trans-112.4133.8179.21780000108.3T86 R87 V89 V144 L161T86-V100 WeakPolarHBondContact CA-O 3.41Å; R87-V100 PolarHBondContact N-O 3.21Å; R87-V100 PolarHBondContact O-N 3.18Å; V89-V100 HydrophobicContact CG2-CB 4.11Å; V89-V100 HydrophobicContact CG2-CG2 3.72Å; V100-V144 HydrophobicContact CG2-CG1 4.04Å; V100-V144 HydrophobicContact CG2-CG2 3.64Å; V100-L161 HydrophobicContact CG1-CD1 3.32Å; V100-L161 HydrophobicContact CG1-CD2 4.13Å; V100-L161 HydrophobicContact CG1-CG 4.34Å
101T94.7Very high90.3Very high62 Ų6257 Ų5738%0.3834%0.344SS..EExtended strand (participates in β ladder)trans-83.5112173.748.50000109.5T86 R140T86-T101 HydrophobicContact CG2-CG2 3.62Å; T101-R140 PolarHBondContact O-NH2 3.45Å; T101-R140 PolarHBondContact OG1-NH2 3.35Å
102E92.8Very high88.9Confident63 Ų6358.8 Ų58.829%0.29437%0.368SS..EExtended strand (participates in β ladder)trans-96.6149.8170.3-171.1162.6-17300109.6Y85 R87 L161Y85-E102 PolarHBondContact N-O 3.26Å; Y85-E102 PolarHBondContact O-N 3.01Å; R87-E102 WeakPolarHBondContact CD-OE2 3.4Å; R87-E102 IonicContact NE-OE2 2.65Å; R87-E102 PolarHBondContact NE-OE2 2.91Å; E102-L161 HydrophobicContact CB-CD2 4.24Å; E102-L161 HydrophobicContact CG-CD2 4.15Å
103L94.2Very high87.3Confident3 Ų365.8 Ų65.82%0.01637%0.372CS..EExtended strand (participates in β ladder)trans-117.3130.7178.5-166.9159000108.2E82 L83 V162 C165E82-L103 HydrophobicContact CB-CD1 4.02Å; E82-L103 HydrophobicContact CB-CD2 3.96Å; E82-L103 HydrophobicContact CB-CG 4.12Å; E82-L103 HydrophobicContact CG-CD1 4.31Å; E82-L103 HydrophobicContact CG-CD2 4.09Å; L83-L103 CarbonylContact O-C 3.41Å; L83-L103 WeakPolarHBondContact O-CA 3.11Å; L103-V162 HydrophobicContact CB-CB 4.22Å; L103-V162 WeakPolarHBondContact CB-O 3.32Å; L103-V162 HydrophobicContact CD2-CB 4.42Å; L103-V162 HydrophobicContact CD2-CG1 3.92Å; L103-V162 WeakPolarHBondContact O-CB 3.39Å; L103-C165 WeakPolarHBondContact CD2-SG 3.19Å
104V94.5Very high85.5Confident71 Ų7167 Ų6743%0.4337%0.372SS..EExtended strand (participates in β ladder)trans-116.4126177.8-178.40000108.6L83L83-V104 HydrophobicContact CB-CB 4.41Å; L83-V104 PolarHBondContact N-O 2.7Å; L83-V104 PolarHBondContact O-N 3.01Å
105C93.3Very high83.6Confident29 Ų2972.7 Ų72.720%0.19640%0.402CS..EExtended strand (participates in β ladder)trans-81.2119.6176.5-56.10000109.7C165C105-C165 WeakPolarHBondContact CA-SG 3.38Å; C105-C165 HydrophobicContact CB-CB 3.72Å; C105-C165 WeakPolarHBondContact CB-SG 3.4Å; C105-C165 WeakPolarHBondContact SG-CB 3.33Å; C105-C165 CovalentContact SG-SG 2.02Å; C105-C165 PolarHBondContact SG-SG 3.33Å
106S90.8Very high81.6Confident39 Ų3972.6 Ų72.627%0.27342%0.419SS..EExtended strand (participates in β ladder)trans-140.7157.5175.773.40000110.7R81 L83R81-S106 WeakPolarHBondContact CA-O 3.29Å; R81-S106 WeakPolarHBondContact CB-O 3.47Å; R81-S106 PolarHBondContact N-O 3.17Å; R81-S106 PolarHBondContact O-N 3.27Å; R81-S106 VanDerWaalsContact O-N 3.07Å; R81-S106 VanDerWaalsContact O-O 3.08Å; L83-S106 WeakPolarHBondContact CD1-OG 3.5Å; L83-S106 WeakPolarHBondContact CG-OG 3.21Å
107G86.8Confident79.5Confident38 Ų3879.4 Ų79.439%0.39246%0.455SS..EExtended strand (participates in β ladder)trans122.4171.1179.400000112.9S79S79-G107 WeakPolarHBondContact O-CA 3.39Å
108Q83.7Confident77.9Confident119 Ų11979.3 Ų79.356%0.55645%0.454SS*.  trans-102137.4-175.1-55.2-178.88.900109.6E77 Y78 S79E77-Q108 WeakPolarHBondContact O-CB 2.97Å; Y78-Q108 CarbonylContact C-O 3.58Å; Y78-Q108 VanDerWaalsContact CA-O 3.32Å; Y78-Q108 WeakPolarHBondContact CA-O 3.26Å; Y78-Q108 HydrophobicContact CD1-CB 4.45Å; S79-Q108 CarbonylContact C-O 3.58Å; S79-Q108 PolarHBondContact N-O 3.11Å; S79-Q108 PolarHBondContact O-N 2.98Å
109C85.6Confident76.1Confident17 Ų1778.9 Ų78.912%0.11546%0.458CS..  trans-114.9130.2174.9-66.50000108.4F132 C134 C167C109-F132 HydrophobicContact CB-CB 3.53Å; C109-C134 PolarHBondContact SG-N 2.94Å; C109-C167 HydrophobicContact CB-CB 3.65Å; C109-C167 WeakPolarHBondContact CB-SG 3.45Å; C109-C167 WeakPolarHBondContact SG-CA 3.36Å; C109-C167 WeakPolarHBondContact SG-CB 3.49Å; C109-C167 CovalentContact SG-SG 2.04Å; C109-C167 PolarHBondContact SG-SG 3.04Å
110G76.3Confident74.2Confident23 Ų2379.2 Ų79.224%0.23747%0.474CS..  trans-11616617300000111.7A112G110-A112 PolarHBondContact O-N 2.9Å
111P70.1Confident72.3Confident57 Ų5789.5 Ų89.537%0.3751%0.513SS..  trans-56.5121.2161.324.2-31.1000108.5R113 L114 F132P111-R113 PolarHBondContact O-N 2.64Å; P111-L114 HydrophobicContact CG-CB 4.47Å; P111-L114 HydrophobicContact CG-CD1 3.68Å; P111-L114 HydrophobicContact CG-CG 3.85Å; P111-L114 PolarHBondContact O-N 2.92Å; P111-F132 VanDerWaalsContact CA-CE2 3.43Å; P111-F132 HydrophobicContact CB-CD2 4.28Å; P111-F132 HydrophobicContact CB-CE2 3.73Å
112A61.6Low70.4Confident104 Ų10491.7 Ų91.786%0.8653%0.526SS*.THydrogen-bonded Turntrans-60.311.6-174.100000115.9G110G110-A112 PolarHBondContact O-N 2.9Å
113R58.9Low68.7Low219 Ų21995 Ų9583%0.82654%0.539SS*.THydrogen-bonded Turntrans-138.78.8-173.9-62.8-168.7-178.3-153.20.2115.1P111 L115P111-R113 PolarHBondContact O-N 2.64Å; R113-L115 WeakPolarHBondContact O-CD1 3.16Å; R113-L115 PolarHBondContact O-N 2.78Å; R113-L115 VanDerWaalsContact O-N 3.17Å
114L54.2Low67.2Low125 Ų125105.2 Ų105.265%0.65458%0.578SS**  trans-88.478.8164.1-61.9-177.2000107.7P111 A118P111-L114 HydrophobicContact CG-CB 4.47Å; P111-L114 HydrophobicContact CG-CD1 3.68Å; P111-L114 HydrophobicContact CG-CG 3.85Å; P111-L114 PolarHBondContact O-N 2.92Å; L114-A118 HydrophobicContact CB-CB 3.88Å; L114-A118 HydrophobicContact CD2-CB 3.74Å; L114-A118 HydrophobicContact CG-CB 4.24Å
115L53.7Low65.7Low124 Ų124108.6 Ų108.665%0.64958%0.583SS**  trans-53.2158.6169-78.969.6000109.6R113 N117 A118R113-L115 WeakPolarHBondContact O-CD1 3.16Å; R113-L115 PolarHBondContact O-N 2.78Å; R113-L115 VanDerWaalsContact O-N 3.17Å; L115-N117 PolarHBondContact O-N 3.02Å; L115-A118 PolarHBondContact O-N 2.67Å
116P52.4Low63.9Low132 Ų132115.7 Ų115.786%0.85761%0.605SS**THydrogen-bonded Turntrans-53.52.2-175.710.5-23.9000117.8
117N52Low62.3Low149 Ų149119.6 Ų119.680%0.79763%0.63SS**THydrogen-bonded Turntrans-123.126.3177.1-65.9-30.1000113.8L115 I119L115-N117 PolarHBondContact O-N 3.02Å; N117-I119 PolarHBondContact O-N 2.99Å
118A56.8Low60.9Low53 Ų53124.8 Ų124.844%0.43865%0.648SS.*  trans-66104.3175.300000110.9L114 L115 G120L114-A118 HydrophobicContact CB-CB 3.88Å; L114-A118 HydrophobicContact CD2-CB 3.74Å; L114-A118 HydrophobicContact CG-CB 4.24Å; L115-A118 PolarHBondContact O-N 2.67Å; A118-G120 PolarHBondContact O-N 2.92Å
119I55.9Low59.6Low157 Ų157121.7 Ų121.781%0.80565%0.649SS**  trans-66.384.5168-58.7172.4000107.6N117 R121N117-I119 PolarHBondContact O-N 2.99Å; I119-R121 HydrophobicContact CG2-CB 4.25Å; I119-R121 HydrophobicContact CG2-CG 4.46Å; I119-R121 PolarHBondContact O-N 2.75Å
120G55.6Low58.5Low77 Ų77123 Ų12379%0.79466%0.657SS**  trans-75.638-179.200000113.7A118A118-G120 PolarHBondContact O-N 2.92Å
121R55Low58.6Low218 Ų218126.6 Ų126.682%0.82367%0.671SS**  trans-98.3109.5-179.4-70.9-141.6-165.7-128.64.5111.6I119I119-R121 HydrophobicContact CG2-CB 4.25Å; I119-R121 HydrophobicContact CG2-CG 4.46Å; I119-R121 PolarHBondContact O-N 2.75Å
122V54.2Low59.3Low108 Ų108126.7 Ų126.766%0.65567%0.666SS**  trans77.971.4133.5-165.90000116.5
123K57Low60.5Low134 Ų134126 Ų12658%0.58364%0.641SS**  trans-124.279.8141.1-72-170171.9178.70108.8W125 R126K123-W125 HydrophobicContact CB-CD2 4.1Å; K123-W125 HydrophobicContact CB-CE3 4.35Å; K123-W125 HydrophobicContact CB-CH2 4.16Å; K123-W125 HydrophobicContact CB-CZ2 3.88Å; K123-W125 HydrophobicContact CB-CZ3 4.37Å; K123-W125 HydrophobicContact CD-CH2 4.01Å; K123-W125 HydrophobicContact CD-CZ2 3.36Å; K123-W125 HydrophobicContact CG-CH2 3.61Å; K123-W125 HydrophobicContact CG-CZ2 3.42Å; K123-W125 VanDerWaalsContact CG-CZ2 3.42Å; K123-W125 HydrophobicContact CG-CZ3 4.23Å; K123-W125 PolarHBondContact O-N 2.9Å; K123-R126 HydrophobicContact CB-CG 4.4Å; K123-R126 PolarHBondContact O-N 3.03Å; K123-R126 VanDerWaalsContact O-N 3.08Å
124W63.2Low62.1Low217 Ų217117 Ų11782%0.82261%0.611SS**THydrogen-bonded Turntrans-56.5-15.8-177.962.6-86000114.6
125W62.2Low63.9Low142 Ų142112.4 Ų112.454%0.53859%0.587SS.*THydrogen-bonded Turntrans-87.3-7.8178.461.986.1000114.6K123K123-W125 HydrophobicContact CB-CD2 4.1Å; K123-W125 HydrophobicContact CB-CE3 4.35Å; K123-W125 HydrophobicContact CB-CH2 4.16Å; K123-W125 HydrophobicContact CB-CZ2 3.88Å; K123-W125 HydrophobicContact CB-CZ3 4.37Å; K123-W125 HydrophobicContact CD-CH2 4.01Å; K123-W125 HydrophobicContact CD-CZ2 3.36Å; K123-W125 HydrophobicContact CG-CH2 3.61Å; K123-W125 HydrophobicContact CG-CZ2 3.42Å; K123-W125 VanDerWaalsContact CG-CZ2 3.42Å; K123-W125 HydrophobicContact CG-CZ3 4.23Å; K123-W125 PolarHBondContact O-N 2.9Å
126R56.1Low65.8Low177 Ų177108.7 Ų108.767%0.66857%0.57SS**SBendtrans-93124174.7-71.1-92.9-168.1-117.51.2107.5K123 N128K123-R126 HydrophobicContact CB-CG 4.4Å; K123-R126 PolarHBondContact O-N 3.03Å; K123-R126 VanDerWaalsContact O-N 3.08Å; R126-N128 PolarHBondContact O-N 2.78Å
127P57.7Low67.8Low121 Ų121105 Ų10579%0.78654%0.543SS*.  trans-55.8138.516926.1-31.8000107.5G129P127-G129 PolarHBondContact O-N 2.93Å
128N56.7Low69.8Low147 Ų147106 Ų10679%0.78654%0.536SS*.SBendtrans-34.1135.2-175.9-68.7-22.9000111.6R126R126-N128 PolarHBondContact O-N 2.78Å
129G56.3Low71.7Confident54 Ų54110.7 Ų110.756%0.55754%0.543SS*.SBendtrans-45.5152.4-17800000111.3P127 D131P127-G129 PolarHBondContact O-N 2.93Å; G129-D131 PolarHBondContact O-N 3.02Å
130P63.4Low73.5Confident46 Ų46107 Ų10730%0.29952%0.519SS..PPolyproline II helixtrans-52.1116.1-167.623.3-34.8000112F132 R169P130-F132 HydrophobicContact CB-CE2 4.35Å; P130-F132 HydrophobicContact CG-CE2 3.96Å; P130-F132 WeakPolarHBondContact O-CD2 3.04Å; P130-F132 WeakPolarHBondContact O-CE2 3.39Å; P130-F132 PolarHBondContact O-N 2.97Å; P130-R169 HydrophobicContact CB-CG 3.79Å
131D77.7Confident75.4Confident98 Ų98106.2 Ų106.252%0.52451%0.505SS..PPolyproline II helixtrans-63120.6179.2-59.9-38.3000108.2G129 L170G129-D131 PolarHBondContact O-N 3.02Å; D131-L170 HydrophobicContact CB-CB 4.03Å; D131-L170 HydrophobicContact CB-CD2 3.88Å; D131-L170 WeakPolarHBondContact O-CA 3.41Å; D131-L170 WeakPolarHBondContact O-CB 3.43Å; D131-L170 PolarHBondContact O-N 3.32Å
132F84.5Confident77.2Confident59 Ų5999 Ų9926%0.25948%0.48SS..EExtended strand (participates in β ladder)trans-93.5141.9171.6-72-101.1000108.6C109 P111 P130 R169C109-F132 HydrophobicContact CB-CB 3.53Å; P111-F132 VanDerWaalsContact CA-CE2 3.43Å; P111-F132 HydrophobicContact CB-CD2 4.28Å; P111-F132 HydrophobicContact CB-CE2 3.73Å; P130-F132 HydrophobicContact CB-CE2 4.35Å; P130-F132 HydrophobicContact CG-CE2 3.96Å; P130-F132 WeakPolarHBondContact O-CD2 3.04Å; P130-F132 WeakPolarHBondContact O-CE2 3.39Å; P130-F132 PolarHBondContact O-N 2.97Å; F132-R169 HydrophobicContact CD1-CB 4.1Å; F132-R169 HydrophobicContact CE1-CB 3.83Å; F132-R169 HydrophobicContact CE1-CG 4.48Å; F132-R169 HydrophobicContact CZ-CB 4.27Å; F132-R169 HydrophobicContact CZ-CG 4.45Å
133R88Confident79.2Confident89 Ų89102.5 Ų102.534%0.33648%0.482SS..EExtended strand (participates in β ladder)trans-133.2144.5177.257.7175.6-168.5-164.913.6111.8I135 K168 L170 H174R133-I135 HydrophobicContact CG-CG2 3.88Å; R133-K168 PolarHBondContact N-O 3.3Å; R133-K168 PolarHBondContact O-N 3.06Å; R133-L170 VanDerWaalsContact CZ-CD1 3.47Å; R133-H174 PolarHBondContact NH2-CD2 3Å; R133-H174 VanDerWaalsContact NH2-CG 3.31Å
134C90.8Very high81Confident29 Ų2996.5 Ų96.520%0.19646%0.456CS..EExtended strand (participates in β ladder)trans-77.6121.3173.8-177.40000108.6C80 C109C80-C134 VanDerWaalsContact CA-SG 3.57Å; C80-C134 HydrophobicContact CB-CB 3.75Å; C80-C134 WeakPolarHBondContact CB-SG 3.5Å; C80-C134 VanDerWaalsContact SG-CA 3.54Å; C80-C134 WeakPolarHBondContact SG-CB 3.42Å; C80-C134 CovalentContact SG-SG 2.03Å; C80-C134 PolarHBondContact SG-SG 2.85Å; C109-C134 PolarHBondContact SG-N 2.94Å
135I92.3Very high82.5Confident30 Ų3092.8 Ų92.815%0.15445%0.448CS..EExtended strand (participates in β ladder)trans-135.7159.1-177.860.4156.2000111.5R133 D137 C165 K166 K168R133-I135 HydrophobicContact CG-CG2 3.88Å; I135-D137 PolarHBondContact O-N 3.27Å; I135-C165 WeakPolarHBondContact O-CA 2.96Å; I135-K166 HydrophobicContact CG1-CG 4.26Å; I135-K166 WeakPolarHBondContact CG1-O 3.13Å; I135-K166 PolarHBondContact N-O 3.06Å; I135-K166 PolarHBondContact O-N 3.49Å; I135-K168 HydrophobicContact CD1-CB 3.47Å; I135-K168 VanDerWaalsContact CD1-CB 3.47Å; I135-K168 HydrophobicContact CD1-CD 3.36Å; I135-K168 HydrophobicContact CD1-CG 4.01Å; I135-K168 HydrophobicContact CG1-CB 3.69Å; I135-K168 HydrophobicContact CG1-CD 4.48Å
136P95Very high84.1Confident45 Ų4586.1 Ų86.129%0.29242%0.423SS..EExtended strand (participates in β ladder)trans-58.2128.6166.5-25.236.4000111.5Y139 V162P136-Y139 HydrophobicContact CB-CE1 4.24Å; P136-Y139 HydrophobicContact CB-CE2 3.95Å; P136-Y139 WeakPolarHBondContact CB-OH 3.01Å; P136-V162 HydrophobicContact CB-CG1 3.85Å; P136-V162 HydrophobicContact CB-CG2 4.11Å; P136-V162 HydrophobicContact CG-CG1 4.38Å; P136-V162 HydrophobicContact CG-CG2 4.09Å
137D93.6Very high85.9Confident55 Ų5582.6 Ų82.629%0.29442%0.417SS..EExtended strand (participates in β ladder)trans-92-57.8174.6177.939.9000110.8I135 S164 K166I135-D137 PolarHBondContact O-N 3.27Å; D137-S164 PolarHBondContact N-O 3.03Å; D137-S164 PolarHBondContact OD2-OG 3.36Å; D137-K166 HydrophobicContact CB-CB 4.1Å; D137-K166 HydrophobicContact CB-CD 3.78Å; D137-K166 HydrophobicContact CB-CG 3.8Å; D137-K166 VanDerWaalsContact OD1-CD 3.29Å; D137-K166 WeakPolarHBondContact OD1-CD 3.2Å; D137-K166 WeakPolarHBondContact OD1-CE 3.39Å; D137-K166 IonicContact OD1-NZ 3.36Å; D137-K166 PolarHBondContact OD1-NZ 3.31Å
138R94.3Very high87.6Confident171 Ų17177.8 Ų77.865%0.64539%0.386SS*.EExtended strand (participates in β ladder)trans-121.5148.1-178-61.8176.9-173.1-163.8-2.3110.5A163 S164R138-A163 HydrophobicContact CB-CB 4.24Å; R138-A163 PolarHBondContact O-N 3.34Å; R138-S164 WeakPolarHBondContact CB-OG 3.42Å; R138-S164 PolarHBondContact N-OG 3.41Å; R138-S164 PolarHBondContact O-N 3.4Å
139Y95.8Very high89.3Confident150 Ų15075 Ų7559%0.58838%0.376SS*.EExtended strand (participates in β ladder)trans-114.2138.1171.9-66.7-93000109.2P136 L161 V162P136-Y139 HydrophobicContact CB-CE1 4.24Å; P136-Y139 HydrophobicContact CB-CE2 3.95Å; P136-Y139 WeakPolarHBondContact CB-OH 3.01Å; Y139-L161 CarbonylContact C-O 3.1Å; Y139-L161 VanDerWaalsContact CA-O 3.31Å; Y139-L161 WeakPolarHBondContact CA-O 3.02Å; Y139-V162 HydrophobicContact CD1-CG2 4.16Å; Y139-V162 HydrophobicContact CE1-CG2 3.76Å
140R94.6Very high90.8Very high81 Ų8176.5 Ų76.531%0.30639%0.391SS..EExtended strand (participates in β ladder)trans-106.1143.5168.265.1178-177.8-120.40.6109.4T101 L161 A163T101-R140 PolarHBondContact O-NH2 3.45Å; T101-R140 PolarHBondContact OG1-NH2 3.35Å; R140-L161 HydrophobicContact CG-CB 4.1Å; R140-L161 PolarHBondContact N-O 3.39Å; R140-L161 PolarHBondContact O-N 3.5Å; R140-L161 VanDerWaalsContact O-O 3.12Å; R140-A163 HydrophobicContact CB-CB 3.97Å; R140-A163 HydrophobicContact CG-CB 4.03Å
141A94.8Very high91.6Very high59 Ų5978.2 Ų78.249%0.48842%0.417SS..EExtended strand (participates in β ladder)trans-104.3128.5171.100000109.6K158 V159A141-K158 HydrophobicContact CB-CD 4.4Å; A141-K158 HydrophobicContact CB-CG 4.23Å; A141-V159 CarbonylContact C-O 3.56Å; A141-V159 WeakPolarHBondContact CA-O 3.4Å
142Q93.9Very high91.9Very high66 Ų6675.8 Ų75.831%0.30841%0.411SS..EExtended strand (participates in β ladder)trans-120.5131.7-179.3-174.4170.3-20.600109.7V144 K158 V159 L161Q142-V144 HydrophobicContact CG-CG2 4.38Å; Q142-K158 WeakPolarHBondContact O-CA 3.33Å; Q142-V159 PolarHBondContact N-O 3.44Å; Q142-V159 PolarHBondContact O-N 2.95Å; Q142-L161 HydrophobicContact CB-CD1 4.09Å
143R94.9Very high92.1Very high182 Ų18276.6 Ų76.669%0.68743%0.429SS*.EExtended strand (participates in β ladder)trans-88.5125.6170.7-70.2-17676.7169.61.6108.9S156 R157 K158R143-S156 PolarHBondContact NH2-OG 3.49Å; R143-R157 CarbonylContact C-O 3.54Å; R143-R157 WeakPolarHBondContact CA-O 3.11Å; R143-K158 HydrophobicContact CG-CB 4.36Å; R143-K158 HydrophobicContact CG-CG 4.44Å
144V95.1Very high92.2Very high9 Ų976.7 Ų76.76%0.05544%0.44CS..EExtended strand (participates in β ladder)trans-115.6133.1-176.7-173.80000108.4S96 V100 Q142 L146 S156 R157 V159S96-V144 VanDerWaalsContact CB-CG1 3.49Å; V100-V144 HydrophobicContact CG2-CG1 4.04Å; V100-V144 HydrophobicContact CG2-CG2 3.64Å; Q142-V144 HydrophobicContact CG-CG2 4.38Å; V144-L146 HydrophobicContact CG1-CD2 4.46Å; V144-S156 WeakPolarHBondContact O-CA 3.03Å; V144-R157 PolarHBondContact N-O 3.43Å; V144-R157 PolarHBondContact O-N 3.45Å; V144-V159 HydrophobicContact CG2-CG2 4.2Å
145Q95Very high92.3Very high139 Ų13982.5 Ų82.565%0.6546%0.458SS*.EExtended strand (participates in β ladder)trans-86.6129.4173.6-62.3-178.914.300109.6S96 A97S96-Q145 WeakPolarHBondContact CA-O 3.11Å; A97-Q145 PolarHBondContact N-O 3.14Å
146L95.5Very high92.3Very high1 Ų184.3 Ų84.31%0.00547%0.474CS..EExtended strand (participates in β ladder)trans-110132.4-178.5-57.1175.3000109.1V89 D91 C94 V144 P154 R155 R157V89-L146 HydrophobicContact CG1-CD2 4.48Å; D91-L146 HydrophobicContact CB-CD1 3.63Å; C94-L146 HydrophobicContact CB-CB 4.07Å; V144-L146 HydrophobicContact CG1-CD2 4.46Å; L146-P154 CarbonylContact O-C 3.52Å; L146-P154 WeakPolarHBondContact O-CA 3.37Å; L146-R155 HydrophobicContact CB-CB 4.34Å; L146-R155 WeakPolarHBondContact CB-O 3.43Å; L146-R155 PolarHBondContact N-O 2.98Å; L146-R155 PolarHBondContact O-N 3.36Å; L146-R157 HydrophobicContact CD1-CB 3.85Å; L146-R157 HydrophobicContact CG-CB 4.45Å
147L95Very high92.2Very high103 Ų10387.1 Ų87.154%0.53948%0.479SS..EExtended strand (participates in β ladder)trans-97.6126.4172.9-59.9174.9000108.1C94 R95 A97C94-L147 CarbonylContact C-O 3.6Å; C94-L147 VanDerWaalsContact CA-O 3.25Å; C94-L147 WeakPolarHBondContact CA-O 3.4Å; R95-L147 PolarHBondContact N-O 3.08Å; R95-L147 PolarHBondContact O-N 3.08Å; A97-L147 HydrophobicContact CB-CD1 3.73Å; A97-L147 HydrophobicContact CB-CG 4.05Å
148C93.3Very high92.2Very high21 Ų2191.7 Ų91.714%0.14250%0.496CS..  trans-107.8144.7-179.9-58.50000109.6C94 A152C94-C148 HydrophobicContact CB-CB 4.01Å; C94-C148 WeakPolarHBondContact CB-SG 3.45Å; C94-C148 WeakPolarHBondContact SG-CB 3.06Å; C94-C148 CovalentContact SG-SG 2.03Å; C94-C148 PolarHBondContact SG-SG 3.32Å; C148-A152 HydrophobicContact CB-CB 3.96Å
149P92.6Very high92.2Very high89 Ų8984.9 Ų84.958%0.57847%0.473SS*.SBendtrans-66.6158.5174.128.3-34.4000111.2P93P93-P149 HydrophobicContact CB-CG 3.91Å; P93-P149 WeakPolarHBondContact O-CD 3.31Å
150G87.4Confident92.2Very high84 Ų8487.8 Ų87.887%0.86648%0.483SS*.THydrogen-bonded Turntrans84.525.8172.100000116A152G150-A152 PolarHBondContact O-N 3.44Å; G150-A152 VanDerWaalsContact O-N 3.13Å
151G80.1Confident92.2Very high83 Ų8384.2 Ų84.286%0.85647%0.47SS*.THydrogen-bonded Turntrans69.87.4178.900000114.3
152A84Confident92.2Very high47 Ų4782.2 Ų82.239%0.38845%0.452SS..PPolyproline II helixtrans-62.9139.8176.100000110.9C148 G150C148-A152 HydrophobicContact CB-CB 3.96Å; G150-A152 PolarHBondContact O-N 3.44Å; G150-A152 VanDerWaalsContact O-N 3.13Å
153A88.1Confident92.2Very high76 Ų7680.6 Ų80.663%0.62845%0.45SS*.PPolyproline II helixtrans-55.8145.4179.700000111.8R155A153-R155 PolarHBondContact O-N 3.1Å
154P90.2Very high92.2Very high90 Ų9073 Ų7358%0.58443%0.425SS*.PPolyproline II helixtrans-61131.4179.225.5-33.9000110.5L146L146-P154 CarbonylContact O-C 3.52Å; L146-P154 WeakPolarHBondContact O-CA 3.37Å
155R92Very high92.1Very high152 Ų15273.4 Ų73.457%0.57443%0.428SS*.EExtended strand (participates in β ladder)trans-95.5145.8178.3-64.9-176.9-179.6-176.5-0.5110L146 A153L146-R155 HydrophobicContact CB-CB 4.34Å; L146-R155 WeakPolarHBondContact CB-O 3.43Å; L146-R155 PolarHBondContact N-O 2.98Å; L146-R155 PolarHBondContact O-N 3.36Å; A153-R155 PolarHBondContact O-N 3.1Å
156S92.5Very high92Very high68 Ų6871.1 Ų71.148%0.47642%0.415SS..EExtended strand (participates in β ladder)trans-109.2128.7173.6840000110.5R143 V144R143-S156 PolarHBondContact NH2-OG 3.49Å; V144-S156 WeakPolarHBondContact O-CA 3.03Å
157R92.9Very high91.7Very high104 Ų10473.8 Ų73.839%0.39243%0.433SS..EExtended strand (participates in β ladder)trans-122136.8178.1-173.6175.2179.7-172.53.5111.1T90 D91 R143 V144 L146T90-R157 PolarHBondContact O-NH1 3.13Å; D91-R157 IonicContact OD1-CZ 3.96Å; D91-R157 IonicContact OD1-NH1 3.41Å; D91-R157 PolarHBondContact OD1-NH1 3.47Å; D91-R157 IonicContact OD2-NE 3.98Å; D91-R157 IonicContact OD2-NH1 3.84Å; R143-R157 CarbonylContact C-O 3.54Å; R143-R157 WeakPolarHBondContact CA-O 3.11Å; V144-R157 PolarHBondContact N-O 3.43Å; V144-R157 PolarHBondContact O-N 3.45Å; L146-R157 HydrophobicContact CD1-CB 3.85Å; L146-R157 HydrophobicContact CG-CB 4.45Å
158K94.9Very high91.3Very high150 Ų15072.8 Ų72.865%0.65243%0.425SS*.EExtended strand (participates in β ladder)trans-92.2118.9174.8-171.4175.8-178.9175.70109.5A141 Q142 R143A141-K158 HydrophobicContact CB-CD 4.4Å; A141-K158 HydrophobicContact CB-CG 4.23Å; Q142-K158 WeakPolarHBondContact O-CA 3.33Å; R143-K158 HydrophobicContact CG-CB 4.36Å; R143-K158 HydrophobicContact CG-CG 4.44Å
159V93.9Very high90.9Very high29 Ų2978.8 Ų78.818%0.17644%0.444CS..EExtended strand (participates in β ladder)trans-109.7137.6177.6-174.90000108.7V89 A141 Q142 V144 L161V89-V159 HydrophobicContact CG1-CG2 4.18Å; V89-V159 HydrophobicContact CG2-CG2 4.47Å; A141-V159 CarbonylContact C-O 3.56Å; A141-V159 WeakPolarHBondContact CA-O 3.4Å; Q142-V159 PolarHBondContact N-O 3.44Å; Q142-V159 PolarHBondContact O-N 2.95Å; V144-V159 HydrophobicContact CG2-CG2 4.2Å; V159-L161 HydrophobicContact CG1-CD2 3.76Å; V159-L161 HydrophobicContact CG1-CG 4.13Å
160R95.2Very high90.3Very high210 Ų21076 Ų7679%0.79243%0.425SS*.EExtended strand (participates in β ladder)trans-96.3123.9172.2-67.6-177179.5-178-0.1108.4
161L94.7Very high89.7Confident6 Ų675 Ų753%0.03140%0.402CS..EExtended strand (participates in β ladder)trans-123.4148.9-177.1-57.3165.2000108.5V100 E102 Y139 R140 Q142 V159V100-L161 HydrophobicContact CG1-CD1 3.32Å; V100-L161 HydrophobicContact CG1-CD2 4.13Å; V100-L161 HydrophobicContact CG1-CG 4.34Å; E102-L161 HydrophobicContact CB-CD2 4.24Å; E102-L161 HydrophobicContact CG-CD2 4.15Å; Y139-L161 CarbonylContact C-O 3.1Å; Y139-L161 VanDerWaalsContact CA-O 3.31Å; Y139-L161 WeakPolarHBondContact CA-O 3.02Å; R140-L161 HydrophobicContact CG-CB 4.1Å; R140-L161 PolarHBondContact N-O 3.39Å; R140-L161 PolarHBondContact O-N 3.5Å; R140-L161 VanDerWaalsContact O-O 3.12Å; Q142-L161 HydrophobicContact CB-CD1 4.09Å; V159-L161 HydrophobicContact CG1-CD2 3.76Å; V159-L161 HydrophobicContact CG1-CG 4.13Å
162V95.9Very high89.4Confident18 Ų1882.1 Ų82.111%0.10940%0.403CS..EExtended strand (participates in β ladder)trans-67.5138.1171.2-175.10000108.8L103 P136 Y139 S164L103-V162 HydrophobicContact CB-CB 4.22Å; L103-V162 WeakPolarHBondContact CB-O 3.32Å; L103-V162 HydrophobicContact CD2-CB 4.42Å; L103-V162 HydrophobicContact CD2-CG1 3.92Å; L103-V162 WeakPolarHBondContact O-CB 3.39Å; P136-V162 HydrophobicContact CB-CG1 3.85Å; P136-V162 HydrophobicContact CB-CG2 4.11Å; P136-V162 HydrophobicContact CG-CG1 4.38Å; P136-V162 HydrophobicContact CG-CG2 4.09Å; Y139-V162 HydrophobicContact CD1-CG2 4.16Å; Y139-V162 HydrophobicContact CE1-CG2 3.76Å; V162-S164 WeakPolarHBondContact CG1-O 2.96Å
163A93.8Very high88.9Confident32 Ų3287.1 Ų87.126%0.26442%0.416SS..EExtended strand (participates in β ladder)trans-109.9-30.4-179.300000112.8R138 R140R138-A163 HydrophobicContact CB-CB 4.24Å; R138-A163 PolarHBondContact O-N 3.34Å; R140-A163 HydrophobicContact CB-CB 3.97Å; R140-A163 HydrophobicContact CG-CB 4.03Å
164S93.9Very high88.3Confident23 Ų2386.1 Ų86.116%0.16140%0.398CS..EExtended strand (participates in β ladder)trans-154.7157.9176.159.40000111.4E82 D137 R138 V162E82-S164 WeakPolarHBondContact OE1-CA 3.49Å; D137-S164 PolarHBondContact N-O 3.03Å; D137-S164 PolarHBondContact OD2-OG 3.36Å; R138-S164 WeakPolarHBondContact CB-OG 3.42Å; R138-S164 PolarHBondContact N-OG 3.41Å; R138-S164 PolarHBondContact O-N 3.4Å; V162-S164 WeakPolarHBondContact CG1-O 2.96Å
165C93.7Very high87.2Confident17 Ų1787.1 Ų87.112%0.11540%0.399CS..EExtended strand (participates in β ladder)trans-117.9152.7177.6-570000111.5C80 E82 L103 C105 I135C80-C165 VanDerWaalsContact SG-CB 3.58Å; E82-C165 HydrophobicContact CG-CB 3.97Å; E82-C165 PolarHBondContact OE1-N 2.96Å; L103-C165 WeakPolarHBondContact CD2-SG 3.19Å; C105-C165 WeakPolarHBondContact CA-SG 3.38Å; C105-C165 HydrophobicContact CB-CB 3.72Å; C105-C165 WeakPolarHBondContact CB-SG 3.4Å; C105-C165 WeakPolarHBondContact SG-CB 3.33Å; C105-C165 CovalentContact SG-SG 2.02Å; C105-C165 PolarHBondContact SG-SG 3.33Å; I135-C165 WeakPolarHBondContact O-CA 2.96Å
166K91.7Very high86.1Confident91 Ų9186 Ų8640%0.39640%0.4SS..EExtended strand (participates in β ladder)trans-146155173.172-178.3171.3-164.40112.7I135 D137 K168I135-K166 HydrophobicContact CG1-CG 4.26Å; I135-K166 WeakPolarHBondContact CG1-O 3.13Å; I135-K166 PolarHBondContact N-O 3.06Å; I135-K166 PolarHBondContact O-N 3.49Å; D137-K166 HydrophobicContact CB-CB 4.1Å; D137-K166 HydrophobicContact CB-CD 3.78Å; D137-K166 HydrophobicContact CB-CG 3.8Å; D137-K166 VanDerWaalsContact OD1-CD 3.29Å; D137-K166 WeakPolarHBondContact OD1-CD 3.2Å; D137-K166 WeakPolarHBondContact OD1-CE 3.39Å; D137-K166 IonicContact OD1-NZ 3.36Å; D137-K166 PolarHBondContact OD1-NZ 3.31Å; K166-K168 PolarHBondContact O-N 3.44Å
167C89.5Confident85Confident56 Ų5687.3 Ų87.338%0.37841%0.409SS..EExtended strand (participates in β ladder)trans-75.5117.4165.2-69.20000110.1C80 C109C80-C167 VanDerWaalsContact CB-SG 3.54Å; C109-C167 HydrophobicContact CB-CB 3.65Å; C109-C167 WeakPolarHBondContact CB-SG 3.45Å; C109-C167 WeakPolarHBondContact SG-CA 3.36Å; C109-C167 WeakPolarHBondContact SG-CB 3.49Å; C109-C167 CovalentContact SG-SG 2.04Å; C109-C167 PolarHBondContact SG-SG 3.04Å
168K88.3Confident83.6Confident83 Ų8390.2 Ų90.236%0.36143%0.427SS..EExtended strand (participates in β ladder)trans-112.2134.8172.9-171-179.1-177.8-175.50110R133 I135 K166 L170 H174R133-K168 PolarHBondContact N-O 3.3Å; R133-K168 PolarHBondContact O-N 3.06Å; I135-K168 HydrophobicContact CD1-CB 3.47Å; I135-K168 VanDerWaalsContact CD1-CB 3.47Å; I135-K168 HydrophobicContact CD1-CD 3.36Å; I135-K168 HydrophobicContact CD1-CG 4.01Å; I135-K168 HydrophobicContact CG1-CB 3.69Å; I135-K168 HydrophobicContact CG1-CD 4.48Å; K166-K168 PolarHBondContact O-N 3.44Å; K168-L170 PolarHBondContact O-N 3.23Å; K168-H174 WeakPolarHBondContact CE-NE2 3.38Å; K168-H174 PolarHBondContact NZ-NE2 3.42Å
169R84.7Confident81.9Confident146 Ų14689.2 Ų89.255%0.55143%0.428SS*.EExtended strand (participates in β ladder)trans-63.4125.8168.6-179.3168.5176.81768110.2P130 F132 T171P130-R169 HydrophobicContact CB-CG 3.79Å; F132-R169 HydrophobicContact CD1-CB 4.1Å; F132-R169 HydrophobicContact CE1-CB 3.83Å; F132-R169 HydrophobicContact CE1-CG 4.48Å; F132-R169 HydrophobicContact CZ-CB 4.27Å; F132-R169 HydrophobicContact CZ-CG 4.45Å; R169-T171 PolarHBondContact O-N 3.15Å
170L78.7Confident79.9Confident32 Ų3293.9 Ų93.917%0.16845%0.446CS..  trans-65129.7171.9-169.567.6000108.9D131 R133 K168 H174D131-L170 HydrophobicContact CB-CB 4.03Å; D131-L170 HydrophobicContact CB-CD2 3.88Å; D131-L170 WeakPolarHBondContact O-CA 3.41Å; D131-L170 WeakPolarHBondContact O-CB 3.43Å; D131-L170 PolarHBondContact O-N 3.32Å; R133-L170 VanDerWaalsContact CZ-CD1 3.47Å; K168-L170 PolarHBondContact O-N 3.23Å; L170-H174 HydrophobicContact CD1-CB 3.52Å
171T75.8Confident77.9Confident62 Ų6290.4 Ų90.438%0.3844%0.443SS..  trans-112.5155.5169.672.70000108.3R169 F173 H174R169-T171 PolarHBondContact O-N 3.15Å; T171-F173 PolarHBondContact O-N 3.45Å; T171-H174 PolarHBondContact N-ND1 3.35Å; T171-H174 WeakPolarHBondContact O-CB 3.45Å; T171-H174 PolarHBondContact O-N 3.16Å; T171-H174 PolarHBondContact O-ND1 3.3Å; T171-H174 PolarHBondContact OG1-CE1 2.8Å; T171-H174 PolarHBondContact OG1-ND1 3.48Å
172R73.8Confident75.8Confident233 Ų23399.2 Ų99.288%0.87948%0.481SS*.G310 helixtrans-49.9-34.1179.5-107-175.8-178.5179.80.1113.8H174 N175R172-H174 PolarHBondContact O-N 3.43Å; R172-N175 PolarHBondContact O-N 3.41Å
173F73.2Confident74.1Confident151 Ų151100.7 Ų100.766%0.66250%0.5SS*.G310 helixtrans-62.3-26.9178.6-64.7-76.6000113.6T171 N175 Q176T171-F173 PolarHBondContact O-N 3.45Å; F173-N175 VanDerWaalsContact C-N 3.28Å; F173-N175 PolarHBondContact O-N 3.35Å; F173-Q176 VanDerWaalsContact CD1-NE2 3.31Å; F173-Q176 WeakPolarHBondContact O-CB 3.46Å; F173-Q176 PolarHBondContact O-N 3.27Å
174H74.4Confident72.2Confident56 Ų56104.6 Ų104.626%0.25952%0.523SS..G310 helixtrans-77.2-13.1-177.1-65.1101.8000114.6R133 K168 L170 T171 R172R133-H174 PolarHBondContact NH2-CD2 3Å; R133-H174 VanDerWaalsContact NH2-CG 3.31Å; K168-H174 WeakPolarHBondContact CE-NE2 3.38Å; K168-H174 PolarHBondContact NZ-NE2 3.42Å; L170-H174 HydrophobicContact CD1-CB 3.52Å; T171-H174 PolarHBondContact N-ND1 3.35Å; T171-H174 WeakPolarHBondContact O-CB 3.45Å; T171-H174 PolarHBondContact O-N 3.16Å; T171-H174 PolarHBondContact O-ND1 3.3Å; T171-H174 PolarHBondContact OG1-CE1 2.8Å; T171-H174 PolarHBondContact OG1-ND1 3.48Å; R172-H174 PolarHBondContact O-N 3.43Å
175N68.3Low70.2Confident111 Ų111112.7 Ų112.759%0.59456%0.558SS**G310 helixtrans-102.57.4174.5-68.2-9.6000111.6R172 F173 S177R172-N175 PolarHBondContact O-N 3.41Å; F173-N175 VanDerWaalsContact C-N 3.28Å; F173-N175 PolarHBondContact O-N 3.35Å; N175-S177 VanDerWaalsContact C-N 3.27Å; N175-S177 PolarHBondContact O-N 3.28Å
176Q68.1Low68.5Low129 Ų129117.8 Ų117.860%0.60359%0.589SS**  trans-70.892.5169.7-67.7177.7-5.900106.9F173 E178F173-Q176 VanDerWaalsContact CD1-NE2 3.31Å; F173-Q176 WeakPolarHBondContact O-CB 3.46Å; F173-Q176 PolarHBondContact O-N 3.27Å; Q176-E178 PolarHBondContact O-N 3.39Å
177S70Confident66.7Low94 Ų94118 Ų11866%0.65761%0.608SS**  trans-65.8117.7159.950.80000106N175 L179N175-S177 VanDerWaalsContact C-N 3.27Å; N175-S177 PolarHBondContact O-N 3.28Å; S177-L179 PolarHBondContact O-N 3.11Å
178E64.5Low65.2Low165 Ų165126.5 Ų126.577%0.77163%0.632SS**  trans-63.771.9150.1-68.4-175.9-156.300106.4Q176 K180Q176-E178 PolarHBondContact O-N 3.39Å; E178-K180 PolarHBondContact O-N 3.19Å
179L58.9Low63.6Low130 Ų130128.2 Ų128.268%0.68165%0.651SS**  trans-67.481.8157.5-158.681.9000103.1S177 D181S177-L179 PolarHBondContact O-N 3.11Å; L179-D181 PolarHBondContact O-N 3.31Å
180K51.9Low62.2Low127 Ų127130.8 Ų130.855%0.55267%0.67SS**  trans-58100.9159.9-81.6-178.8177.8178.20103.2E178 F182E178-K180 PolarHBondContact O-N 3.19Å; K180-F182 HydrophobicContact CB-CD2 3.9Å; K180-F182 HydrophobicContact CB-CE1 4.33Å; K180-F182 HydrophobicContact CB-CE2 3.6Å; K180-F182 HydrophobicContact CB-CG 4.4Å; K180-F182 HydrophobicContact CB-CZ 3.84Å; K180-F182 HydrophobicContact CD-CE1 4.14Å; K180-F182 HydrophobicContact CD-CE2 4.28Å; K180-F182 HydrophobicContact CD-CZ 3.7Å; K180-F182 HydrophobicContact CG-CZ 4.42Å; K180-F182 VanDerWaalsContact O-CD2 3.25Å; K180-F182 WeakPolarHBondContact O-CD2 3.34Å; K180-F182 PolarHBondContact O-N 3.03Å
181D52.7Low61.1Low137 Ų137139 Ų13973%0.73370%0.704SS**  trans-57.390.5159.1-70.4-41000104.9L179 G183L179-D181 PolarHBondContact O-N 3.31Å; D181-G183 PolarHBondContact O-N 3.35Å
182F51.3Low60Low190 Ų190139.5 Ų139.583%0.83372%0.722SS**  trans-71.531.1166.7-68.4-77.9000110.2K180K180-F182 HydrophobicContact CB-CD2 3.9Å; K180-F182 HydrophobicContact CB-CE1 4.33Å; K180-F182 HydrophobicContact CB-CE2 3.6Å; K180-F182 HydrophobicContact CB-CG 4.4Å; K180-F182 HydrophobicContact CB-CZ 3.84Å; K180-F182 HydrophobicContact CD-CE1 4.14Å; K180-F182 HydrophobicContact CD-CE2 4.28Å; K180-F182 HydrophobicContact CD-CZ 3.7Å; K180-F182 HydrophobicContact CG-CZ 4.42Å; K180-F182 VanDerWaalsContact O-CD2 3.25Å; K180-F182 WeakPolarHBondContact O-CD2 3.34Å; K180-F182 PolarHBondContact O-N 3.03Å
183G59.1Low58.9Low49 Ų49140.2 Ų140.251%0.50572%0.724SS.*SBendtrans-85.3133.2168.400000108.2D181 E185D181-G183 PolarHBondContact O-N 3.35Å; G183-E185 PolarHBondContact O-N 3.45Å; G183-E185 VanDerWaalsContact O-N 3.15Å
184P53.9Low58.2Low115 Ų115142.7 Ų142.775%0.74774%0.735SS**  trans-55126.616924.4-31.4000107.9T186P184-T186 VanDerWaalsContact C-N 3.28Å; P184-T186 PolarHBondContact O-N 3.05Å
185E53Low57.6Low193 Ų193145.8 Ų145.890%0.90276%0.76SS**  trans-54.491176-174.9173.6176.800109G183 A187G183-E185 PolarHBondContact O-N 3.45Å; G183-E185 VanDerWaalsContact O-N 3.15Å; E185-A187 PolarHBondContact O-N 3.42Å
186T56.3Low57.1Low124 Ų124152.1 Ų152.176%0.76178%0.776SS**  trans-78.1108170.644.20000106.3P184 R188P184-T186 VanDerWaalsContact C-N 3.28Å; P184-T186 PolarHBondContact O-N 3.05Å; T186-R188 PolarHBondContact O-N 3.28Å
187A53.8Low56.8Low96 Ų96151.9 Ų151.979%0.79379%0.785SS**  trans-47.2105.7177.100000110.6E185E185-A187 PolarHBondContact O-N 3.42Å
188R58.5Low55.8Low234 Ų234159.6 Ų159.688%0.88380%0.8SS**  trans-73.1130.2168.2-90.2-177.5173.5176.9-0.1108.5T186 Q190T186-R188 PolarHBondContact O-N 3.28Å; R188-Q190 PolarHBondContact O-N 3.21Å
189P55.6Low55.5Low118 Ų118156.6 Ų156.677%0.76680%0.803SS**  trans-67.9133179.526.4-31.7000110.5K191P189-K191 PolarHBondContact O-N 3.24Å; P189-K191 VanDerWaalsContact O-N 3.07Å
190Q55.6Low55Low201 Ų201162.6 Ų162.694%0.93982%0.817SS**  trans-62.9107.2172.3-73.7-170.62.200110R188 G192R188-Q190 PolarHBondContact O-N 3.21Å; Q190-G192 PolarHBondContact O-N 3.2Å
191K54.7Low54.9Low205 Ų205160.5 Ų160.589%0.89183%0.832SS**  trans-75.7101.3164.6-102.9179.8176.7177.30108.8P189 R193P189-K191 PolarHBondContact O-N 3.24Å; P189-K191 VanDerWaalsContact O-N 3.07Å; K191-R193 PolarHBondContact O-N 3.36Å
192G51.8Low54.7Low72 Ų72158.6 Ų158.674%0.74284%0.835SS**PPolyproline II helixtrans-57.7125.617100000111.7Q190 K194Q190-G192 PolarHBondContact O-N 3.2Å; G192-K194 PolarHBondContact O-N 3.32Å
193R51.7Low54.6Low248 Ų248159.3 Ų159.394%0.93684%0.838SS**PPolyproline II helixtrans-74.4119.6168-75.8-176173.3-171.6-1.3108.5K191K191-R193 PolarHBondContact O-N 3.36Å
194K58.3Low54.3Low202 Ų202161 Ų16188%0.87885%0.847SS**PPolyproline II helixtrans-68.6134.1168.1-69.5-176.2178.1-176.90109.6G192G192-K194 PolarHBondContact O-N 3.32Å
195P61.8Low54.3Low122 Ų122162.6 Ų162.679%0.79285%0.849SS**PPolyproline II helixtrans-72.5129173.427.7-28.5000109.7
196R58.7Low54.4Low244 Ų244162.5 Ų162.592%0.92185%0.849SS**PPolyproline II helixtrans-83.3125.2171.4-103.3-179.8158.9-173.2-5.7109
197P61.3Low54.3Low124 Ų124161.2 Ų161.281%0.80585%0.85SS**PPolyproline II helixtrans-75.2134.5172.729.7-30.2000110.1
198R48Very low54.2Low255 Ų255165.1 Ų165.196%0.96285%0.852SS**  trans-85.8110.6167.3-80.9-179.7173.2177.7-2.5108.2
199A58.6Low54.3Low102 Ų102161.9 Ų161.984%0.84385%0.851SS**  trans-102.7122.2166.700000109.5
200R47.6Very low54.3Low256 Ų256163 Ų16397%0.96685%0.846SS**  trans-74123.4166.4-88.1176.3170.3172.8-4.1108.2
201G50.7Low54.3Low84 Ų84159.3 Ų159.387%0.86683%0.833SS**  trans-110.8114.5164.600000109.2
202A47.4Very low54Low96 Ų96154 Ų15479%0.79383%0.827SS**  trans-110130.6167.900000108.5
203K50.4Low54.1Low206 Ų206165.4 Ų165.490%0.89685%0.85SS**  trans177103157.1-101.8170.1-179.1-174.60106.2
204A51.8Low54.2Low85 Ų85161.3 Ų161.370%0.70285%0.846SS**  71.2106.881.400000113
205N55.4Low54Low148 Ų148159.1 Ų159.179%0.79184%0.844SS**  167.1129.6121.3-84.5-15.1000112.9
206Q54.6Low53.5Low191 Ų191161.2 Ų161.289%0.89385%0.847SS**  trans45.6147.8143.8-84.8169.9-15.300120.4
207A54.5Low53.2Low96 Ų96156.3 Ų156.379%0.79384%0.843SS**  cis-151.6164.22300000111.9
208E50.6Low52.7Low178 Ų178158.3 Ų158.383%0.83285%0.845SS**  trans-59.5146.4177.7-170.2175.1-176.200115
209L61.1Low53Low166 Ų166151.9 Ų151.987%0.86984%0.837SS**  trans-145.6106.6149.5-15085.3000108.8
210E56.5Low52.7Low142 Ų142155.4 Ų155.466%0.66484%0.837SS**  trans7.6145.3136.3-79.8-17798.500117.3
211N53.7Low53Low124 Ų124147.7 Ų147.766%0.66383%0.827SS**  cis-165.7131.814.7-97.1-29.9000105.1
212A50.2Low53.2Low92 Ų92153 Ų15376%0.7682%0.823SS**  77.7118.195.200000116.5
213Y52.7Low53.8Low312 Ų312158.2 Ų158.2100%1.22483%0.826SS**  trans69.20170-100.6-87.9000120.9

Retrieved 213 of 213 residues in 552.7 ms (Link to these results)