A0A096MP40_PAPAN Loading...

Left-right determination factor

AlphaFold DB , UniProt , Accession A0A096MP40, Species PAPAN (Papio anubis, Olive baboon), Gene LEFTY2, Length 366 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
1M38Very low36Very low239 Ų239184.1 Ų184.1100%1.17785%0.854SS**  0107.40-70.5161.980.900107.6
2R33.8Very low35.7Very low245 Ų245179.5 Ų179.593%0.92585%0.848SS**  trans-75.7128.3175.6-74.6175.8170.9178.7-3.7107.8
3L33.5Very low35.5Very low162 Ų162176.2 Ų176.285%0.84884%0.838SS**  trans-118.1123.2160.1-110.595.8000109.1
4L34.8Very low35.1Very low148 Ų148171.7 Ų171.778%0.77583%0.831SS**  trans-70.7125-172.5-70115.5000111.2L6L4-L6 PolarHBondContact O-N 3.05Å
5W36.9Very low35Very low252 Ų252171.5 Ų171.596%0.95583%0.834SS**  trans-85.999.9157.6-88.650.3000107.9L7W5-L7 PolarHBondContact O-N 3.3Å
6L38.8Very low34.7Very low143 Ų143166 Ų16675%0.74983%0.825SS**  trans-76.8102169.3-80.5159.2000108.3L4 W8L4-L6 PolarHBondContact O-N 3.05Å; L6-W8 PolarHBondContact O-N 3.27Å
7L35.5Very low34.6Very low164 Ų164158.9 Ų158.986%0.85980%0.804SS**  trans-65.1110.2164.4-84.6153.2000108.7W5 A9W5-L7 PolarHBondContact O-N 3.3Å; L7-A9 VanDerWaalsContact C-N 3.35Å; L7-A9 PolarHBondContact O-N 3.02Å
8W37.5Very low34.7Very low224 Ų224154.5 Ų154.585%0.84879%0.788SS**  trans-72.591.9165.1-81.450.3000108.4L6 L10L6-W8 PolarHBondContact O-N 3.27Å; W8-L10 PolarHBondContact O-N 3.35Å
9A34.1Very low35Very low81 Ų81149.4 Ų149.467%0.66978%0.777SS**  trans-73.686.5161.500000107.8L7 W11L7-A9 VanDerWaalsContact C-N 3.35Å; L7-A9 PolarHBondContact O-N 3.02Å; A9-W11 PolarHBondContact O-N 3.29Å
10L38.9Very low35.8Very low139 Ų139145.8 Ų145.873%0.72876%0.762SS**  trans-62.2103.1160.8-95.1149.8000106.9W8 V12W8-L10 PolarHBondContact O-N 3.35Å; L10-V12 VanDerWaalsContact C-N 3.31Å; L10-V12 PolarHBondContact O-N 3.13Å
11W34.5Very low36.8Very low228 Ų228140.2 Ų140.286%0.86474%0.737SS**  trans-5997.6165.5-85.163.3000107.9A9 L13A9-W11 PolarHBondContact O-N 3.29Å; W11-L13 PolarHBondContact O-N 3.39Å
12V32.3Very low38.2Very low129 Ų129131.6 Ų131.678%0.78269%0.694SS**  trans-6795.8158.8-179.60000105L10 P14L10-V12 VanDerWaalsContact C-N 3.31Å; L10-V12 PolarHBondContact O-N 3.13Å; V12-P14 WeakPolarHBondContact O-CD 3.32Å
13L33.5Very low40.3Very low137 Ų137122.8 Ų122.872%0.71767%0.668SS**  trans-52.5120.2161-82.2157.6000106W11 L15W11-L13 PolarHBondContact O-N 3.39Å; L13-L15 PolarHBondContact O-N 3.33Å
14P29.7Very low42.2Very low113 Ų113115.9 Ų115.973%0.73464%0.636SS**  trans-64.2112.7174.926.5-28.5000105.8V12 A16V12-P14 WeakPolarHBondContact O-CD 3.32Å; P14-A16 PolarHBondContact O-N 3.33Å
15L33.1Very low44.5Very low169 Ų169116.5 Ų116.589%0.88564%0.635SS**PPolyproline II helixtrans-54.8116159.8-77.9163.1000105.3L13 G17L13-L15 PolarHBondContact O-N 3.33Å; L15-G17 PolarHBondContact O-N 3.2Å
16A31.1Very low46.6Very low83 Ų83107.4 Ų107.469%0.68660%0.603SS**PPolyproline II helixtrans-46.9117.9178.900000108.8P14 V20P14-A16 PolarHBondContact O-N 3.33Å; A16-V20 HydrophobicContact CB-CG2 4.48Å
17G31.5Very low48.8Very low45 Ų45100.8 Ų100.846%0.46457%0.568SS.*PPolyproline II helixtrans-59.7155174.800000110.4L15 G19L15-G17 PolarHBondContact O-N 3.2Å; G17-G19 PolarHBondContact O-N 3.5Å; G17-G19 VanDerWaalsContact O-N 3.08Å
18P36.8Very low51.3Low80 Ų8094.5 Ų94.552%0.51954%0.535SS..THydrogen-bonded Turntrans-711101791.716000107.4I317P18-I317 HydrophobicContact CB-CG2 3.97Å
19G41Very low53.6Low57 Ų5785.6 Ų85.659%0.58851%0.513SS*.THydrogen-bonded Turntrans13117.517800000116G17 A21G17-G19 PolarHBondContact O-N 3.5Å; G17-G19 VanDerWaalsContact O-N 3.08Å; G19-A21 PolarHBondContact O-N 3.1Å
20V50.8Low56Low78 Ų7884 Ų8447%0.47350%0.497SS..  trans-78.4115.5171.8-171.80000109.3A16 M22 Q26A16-V20 HydrophobicContact CB-CG2 4.48Å; V20-M22 PolarHBondContact O-N 2.94Å; V20-Q26 VanDerWaalsContact CG1-NE2 3.3Å
21A56.7Low58.3Low28 Ų2877.4 Ų77.423%0.23146%0.462CS..  trans-37.4127.8163.800000111.2G19 T23 Q26 M268 E292G19-A21 PolarHBondContact O-N 3.1Å; A21-T23 WeakPolarHBondContact O-CG2 3.44Å; A21-T23 PolarHBondContact O-N 3.29Å; A21-T23 VanDerWaalsContact O-N 3.09Å; A21-Q26 PolarHBondContact O-OE1 3.07Å; A21-Q26 VanDerWaalsContact O-OE1 3.05Å; A21-M268 HydrophobicContact CB-CE 3.77Å; A21-E292 WeakPolarHBondContact CA-OE1 3.34Å; A21-E292 WeakPolarHBondContact CB-OE1 3.23Å; A21-E292 PolarHBondContact N-OE1 2.82Å
22M66.9Low60.9Low58 Ų5867.8 Ų67.829%0.28643%0.428SS..  trans-66.5111.8177.7-73.5-88.563.500110.2V20 Q26 I270 M346V20-M22 PolarHBondContact O-N 2.94Å; M22-Q26 HydrophobicContact CE-CB 3.66Å; M22-Q26 HydrophobicContact CE-CG 4.18Å; M22-I270 HydrophobicContact CB-CD1 4.35Å; M22-M346 HydrophobicContact SD-SD 4.31Å
23T77.9Confident63.5Low61 Ų6169.3 Ų69.337%0.37443%0.426SS..  trans-96158.6179.369.90000112.1A21 E25 Q26 L27A21-T23 WeakPolarHBondContact O-CG2 3.44Å; A21-T23 PolarHBondContact O-N 3.29Å; A21-T23 VanDerWaalsContact O-N 3.09Å; T23-E25 PolarHBondContact O-N 3.3Å; T23-Q26 PolarHBondContact O-N 3.48Å; T23-Q26 VanDerWaalsContact O-N 3.14Å; T23-Q26 WeakPolarHBondContact OG1-CG 3.48Å; T23-Q26 PolarHBondContact OG1-N 3.04Å; T23-L27 PolarHBondContact O-N 3.2Å
24G74.4Confident66Low16 Ų1666.7 Ų66.717%0.16541%0.411CS..Hα-helixtrans-57.8-29.6174.100000113.8L27 L28G24-L27 WeakPolarHBondContact O-CB 3.38Å; G24-L28 PolarHBondContact O-N 3.15Å
25E82.5Confident68.6Low161 Ų16163 Ų6375%0.75238%0.384SS*.Hα-helixtrans-72.9-38.7176-63.2-170.5165.100112.4T23 L27 L28 G29T23-E25 PolarHBondContact O-N 3.3Å; E25-L27 VanDerWaalsContact C-N 3.31Å; E25-L28 WeakPolarHBondContact O-CB 3.5Å; E25-L28 PolarHBondContact O-N 3.29Å; E25-G29 PolarHBondContact O-N 3.4Å
26Q82.4Confident71.1Confident61 Ų6163.6 Ų63.629%0.28538%0.383SS..Hα-helixtrans-66.1-36.3173.8-70.6168.8-25.200111.7V20 A21 M22 T23 S30V20-Q26 VanDerWaalsContact CG1-NE2 3.3Å; A21-Q26 PolarHBondContact O-OE1 3.07Å; A21-Q26 VanDerWaalsContact O-OE1 3.05Å; M22-Q26 HydrophobicContact CE-CB 3.66Å; M22-Q26 HydrophobicContact CE-CG 4.18Å; T23-Q26 PolarHBondContact O-N 3.48Å; T23-Q26 VanDerWaalsContact O-N 3.14Å; T23-Q26 WeakPolarHBondContact OG1-CG 3.48Å; T23-Q26 PolarHBondContact OG1-N 3.04Å; Q26-S30 WeakPolarHBondContact O-CB 3.36Å; Q26-S30 PolarHBondContact O-N 2.96Å; Q26-S30 PolarHBondContact O-OG 3.49Å
27L84.7Confident73.6Confident4 Ų462.4 Ų62.42%0.02136%0.364CS..Hα-helixtrans-61.2-49.4172-169.982.2000111.1T23 G24 E25 G29 S30 L31 L272 W277 F288 L343 M346T23-L27 PolarHBondContact O-N 3.2Å; G24-L27 WeakPolarHBondContact O-CB 3.38Å; E25-L27 VanDerWaalsContact C-N 3.31Å; L27-G29 PolarHBondContact O-N 3.16Å; L27-S30 PolarHBondContact O-N 3.39Å; L27-L31 WeakPolarHBondContact O-CB 3.47Å; L27-L31 PolarHBondContact O-N 2.95Å; L27-L272 HydrophobicContact CD2-CD2 3.23Å; L27-L272 HydrophobicContact CD2-CG 4.48Å; L27-W277 HydrophobicContact CD2-CH2 3.91Å; L27-W277 HydrophobicContact CD2-CZ2 4Å; L27-W277 HydrophobicContact CG-CH2 4.37Å; L27-F288 HydrophobicContact CD1-CE1 4.33Å; L27-F288 HydrophobicContact CD1-CZ 4.1Å; L27-F288 HydrophobicContact CD2-CE1 4.28Å; L27-L343 HydrophobicContact CD1-CD1 3.99Å; L27-M346 HydrophobicContact CD1-CE 3.5Å; L27-M346 VanDerWaalsContact CD1-CE 3.5Å; L27-M346 HydrophobicContact CD1-CG 4.4Å; L27-M346 HydrophobicContact CD1-SD 3.73Å; L27-M346 HydrophobicContact CG-CE 4.45Å
28L86.9Confident75.9Confident33 Ų3365.9 Ų65.917%0.17338%0.382CS..Hα-helixtrans-56.8-49176.6170.959.8000111.5G24 E25 S30 L31 L32 V40 W277 W281G24-L28 PolarHBondContact O-N 3.15Å; E25-L28 WeakPolarHBondContact O-CB 3.5Å; E25-L28 PolarHBondContact O-N 3.29Å; L28-S30 PolarHBondContact O-N 2.91Å; L28-L31 PolarHBondContact O-N 3.45Å; L28-L32 HydrophobicContact CD1-CD1 3.86Å; L28-L32 HydrophobicContact CD1-CG 3.92Å; L28-L32 HydrophobicContact CG-CD1 4.07Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 WeakPolarHBondContact O-CG 3.42Å; L28-L32 PolarHBondContact O-N 3.37Å; L28-V40 HydrophobicContact CD1-CG2 3.51Å; L28-V40 HydrophobicContact CD2-CG2 4.39Å; L28-W277 HydrophobicContact CB-CD2 4.13Å; L28-W277 HydrophobicContact CB-CE3 4.39Å; L28-W277 HydrophobicContact CB-CH2 4.28Å; L28-W277 HydrophobicContact CB-CZ2 4Å; L28-W277 HydrophobicContact CB-CZ3 4.47Å; L28-W277 HydrophobicContact CD1-CD2 3.92Å; L28-W277 HydrophobicContact CD1-CE3 3.64Å; L28-W277 HydrophobicContact CD1-CG 4.39Å; L28-W277 HydrophobicContact CD1-CZ3 4.07Å; L28-W277 HydrophobicContact CD2-CB 4.41Å; L28-W277 HydrophobicContact CD2-CD2 4.28Å; L28-W277 HydrophobicContact CD2-CG 4.08Å; L28-W277 HydrophobicContact CG-CD2 4.33Å; L28-W277 HydrophobicContact CG-CE3 4.48Å; L28-W281 HydrophobicContact CD1-CH2 4.32Å; L28-W281 HydrophobicContact CD1-CZ3 3.73Å
29G86Confident78.1Confident37 Ų3769.7 Ų69.738%0.38139%0.392SS..Hα-helixtrans-60.4-42.9179.100000113E25 L27 L31 Q33E25-G29 PolarHBondContact O-N 3.4Å; L27-G29 PolarHBondContact O-N 3.16Å; G29-L31 VanDerWaalsContact C-N 3.33Å; G29-L31 PolarHBondContact O-N 3.17Å; G29-Q33 WeakPolarHBondContact O-CB 3.31Å; G29-Q33 PolarHBondContact O-N 3.33Å
30S85.1Confident80Confident47 Ų4769.1 Ų69.133%0.32938%0.377SS..Hα-helixtrans-63.4-39.6177.4-60.50000112Q26 L27 L28 Q34Q26-S30 WeakPolarHBondContact O-CB 3.36Å; Q26-S30 PolarHBondContact O-N 2.96Å; Q26-S30 PolarHBondContact O-OG 3.49Å; L27-S30 PolarHBondContact O-N 3.39Å; L28-S30 PolarHBondContact O-N 2.91Å; S30-Q34 VanDerWaalsContact O-CB 3.3Å; S30-Q34 WeakPolarHBondContact O-CB 3.46Å; S30-Q34 PolarHBondContact O-N 3Å
31L86.1Confident81.4Confident0 Ų067 Ų670%037%0.365CS..Hα-helixtrans-73-41.4-179-170.1134.6000112L27 L28 G29 Q34 L35 W281 M326 V328 L343L27-L31 WeakPolarHBondContact O-CB 3.47Å; L27-L31 PolarHBondContact O-N 2.95Å; L28-L31 PolarHBondContact O-N 3.45Å; G29-L31 VanDerWaalsContact C-N 3.33Å; G29-L31 PolarHBondContact O-N 3.17Å; L31-Q34 PolarHBondContact O-N 3.47Å; L31-L35 HydrophobicContact CD2-CD1 3.71Å; L31-L35 HydrophobicContact CG-CD1 4.14Å; L31-L35 WeakPolarHBondContact O-CB 3.48Å; L31-L35 WeakPolarHBondContact O-CG 3.19Å; L31-L35 PolarHBondContact O-N 2.96Å; L31-W281 HydrophobicContact CD2-CE3 4.29Å; L31-W281 HydrophobicContact CD2-CH2 3.03Å; L31-W281 HydrophobicContact CD2-CZ2 3.26Å; L31-W281 HydrophobicContact CD2-CZ3 3.58Å; L31-W281 HydrophobicContact CG-CH2 4.5Å; L31-M326 HydrophobicContact CD1-CE 4.05Å; L31-M326 HydrophobicContact CD1-SD 3.77Å; L31-V328 HydrophobicContact CD1-CG1 4.06Å; L31-L343 HydrophobicContact CB-CD1 4.15Å; L31-L343 HydrophobicContact CB-CD2 4.24Å; L31-L343 HydrophobicContact CD1-CD1 3.92Å; L31-L343 HydrophobicContact CD1-CD2 4.38Å; L31-L343 HydrophobicContact CG-CD2 4.44Å
32L88.9Confident81.9Confident27 Ų2771.8 Ų71.814%0.14139%0.392CS..Hα-helixtrans-59.7-47.2171.5-75176.3000111.6L28 Q34 L35 Q36 L37 W281L28-L32 HydrophobicContact CD1-CD1 3.86Å; L28-L32 HydrophobicContact CD1-CG 3.92Å; L28-L32 HydrophobicContact CG-CD1 4.07Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 WeakPolarHBondContact O-CG 3.42Å; L28-L32 PolarHBondContact O-N 3.37Å; L32-Q34 PolarHBondContact O-N 3.34Å; L32-L35 CarbonylContact O-C 3.43Å; L32-L35 PolarHBondContact O-N 2.94Å; L32-Q36 WeakPolarHBondContact O-CA 3.47Å; L32-Q36 PolarHBondContact O-N 3.36Å; L32-L37 WeakPolarHBondContact CB-O 3.38Å; L32-L37 HydrophobicContact CD2-CB 3.77Å; L32-L37 PolarHBondContact O-N 2.91Å; L32-W281 HydrophobicContact CD2-CH2 3.8Å; L32-W281 HydrophobicContact CG-CH2 4.37Å
33Q87.8Confident81.7Confident160 Ų16070.1 Ų70.175%0.74839%0.385SS*.Hα-helixtrans-61.2-44.2177.9-176.4-179.4-5.500111.9G29 L35 Q36G29-Q33 WeakPolarHBondContact O-CB 3.31Å; G29-Q33 PolarHBondContact O-N 3.33Å; Q33-L35 VanDerWaalsContact C-N 3.33Å; Q33-L35 PolarHBondContact O-N 3.47Å; Q33-Q36 PolarHBondContact O-N 3.04Å
34Q86.1Confident81.1Confident83 Ų8370.9 Ų70.939%0.38839%0.387SS..Hα-helixtrans-68.3-33.1-179.3-177.1162.4-2600112.8S30 L31 L32 Q36 V341 S342 L343S30-Q34 VanDerWaalsContact O-CB 3.3Å; S30-Q34 WeakPolarHBondContact O-CB 3.46Å; S30-Q34 PolarHBondContact O-N 3Å; L31-Q34 PolarHBondContact O-N 3.47Å; L32-Q34 PolarHBondContact O-N 3.34Å; Q34-Q36 VanDerWaalsContact C-N 3.34Å; Q34-V341 HydrophobicContact CG-CG1 4.13Å; Q34-V341 VanDerWaalsContact NE2-CG1 3.34Å; Q34-S342 PolarHBondContact NE2-O 2.99Å; Q34-S342 PolarHBondContact OE1-O 3.33Å; Q34-L343 HydrophobicContact CB-CD2 4.25Å; Q34-L343 HydrophobicContact CG-CD2 4.48Å
35L85.1Confident80.3Confident35 Ų3579.8 Ų79.818%0.18342%0.415CS..Hα-helixtrans-87-3.7175.6-68175.5000113.4L31 L32 Q33 L37 W281 V328 I330 V341L31-L35 HydrophobicContact CD2-CD1 3.71Å; L31-L35 HydrophobicContact CG-CD1 4.14Å; L31-L35 WeakPolarHBondContact O-CB 3.48Å; L31-L35 WeakPolarHBondContact O-CG 3.19Å; L31-L35 PolarHBondContact O-N 2.96Å; L32-L35 CarbonylContact O-C 3.43Å; L32-L35 PolarHBondContact O-N 2.94Å; Q33-L35 VanDerWaalsContact C-N 3.33Å; Q33-L35 PolarHBondContact O-N 3.47Å; L35-L37 HydrophobicContact CB-CD1 3.77Å; L35-L37 HydrophobicContact CB-CG 3.89Å; L35-L37 HydrophobicContact CD1-CD1 4.07Å; L35-L37 PolarHBondContact O-N 3.49Å; L35-W281 HydrophobicContact CD1-CZ2 3.96Å; L35-V328 HydrophobicContact CD1-CG2 4.23Å; L35-I330 HydrophobicContact CD1-CD1 4.28Å; L35-I330 HydrophobicContact CD2-CD1 3.69Å; L35-V341 HydrophobicContact CD2-CG2 3.72Å; L35-V341 HydrophobicContact CG-CG2 4.46Å
36Q85.1Confident78.8Confident181 Ų18177.9 Ų77.985%0.84641%0.414SS*.THydrogen-bonded Turntrans5638.4-175.3-56.1176.8-0.300112.8L32 Q33 Q34L32-Q36 WeakPolarHBondContact O-CA 3.47Å; L32-Q36 PolarHBondContact O-N 3.36Å; Q33-Q36 PolarHBondContact O-N 3.04Å; Q34-Q36 VanDerWaalsContact C-N 3.34Å
37L84.1Confident77.6Confident58 Ų5877.9 Ų77.930%0.30442%0.416SS..  trans-104.3137.7178.4-64.9172.4000110L32 L35 P41 W281L32-L37 WeakPolarHBondContact CB-O 3.38Å; L32-L37 HydrophobicContact CD2-CB 3.77Å; L32-L37 PolarHBondContact O-N 2.91Å; L35-L37 HydrophobicContact CB-CD1 3.77Å; L35-L37 HydrophobicContact CB-CG 3.89Å; L35-L37 HydrophobicContact CD1-CD1 4.07Å; L35-L37 PolarHBondContact O-N 3.49Å; L37-P41 HydrophobicContact CD1-CG 3.68Å; L37-W281 HydrophobicContact CD1-CZ2 4.12Å
38S80Confident76.3Confident118 Ų11879.4 Ų79.483%0.82542%0.424SS*.SBendtrans-83.3-28.3176.6-500000112.7
39E82.5Confident74.8Confident160 Ų16086.7 Ų86.775%0.74846%0.457SS*.SBendtrans-140.8159-176.9-66.3-176.7-179.500110.6P41E39-P41 WeakPolarHBondContact O-CD 3.08Å
40V79.9Confident73.6Confident45 Ų4592.9 Ų92.927%0.27348%0.476SS..  trans-66123.5177.9176.80000109.7L28 V42 W277 W281L28-V40 HydrophobicContact CD1-CG2 3.51Å; L28-V40 HydrophobicContact CD2-CG2 4.39Å; V40-V42 PolarHBondContact O-N 3.47Å; V40-W277 HydrophobicContact CG2-CB 4.34Å; V40-W281 HydrophobicContact CB-CZ3 4.29Å; V40-W281 HydrophobicContact CG1-CD2 4.14Å; V40-W281 HydrophobicContact CG1-CE3 3.61Å; V40-W281 HydrophobicContact CG1-CZ3 3.84Å; V40-W281 HydrophobicContact CG2-CE3 4.43Å; V40-W281 HydrophobicContact CG2-CH2 4.43Å; V40-W281 HydrophobicContact CG2-CZ3 3.86Å
41P79.8Confident72.8Confident33 Ų3392.4 Ų92.421%0.21447%0.47CS..  trans-62.1127.6173.1-17.830.8000109.5L37 E39 P43 W281L37-P41 HydrophobicContact CD1-CG 3.68Å; E39-P41 WeakPolarHBondContact O-CD 3.08Å; P41-P43 WeakPolarHBondContact O-CD 3.02Å; P41-W281 VanDerWaalsContact CD-CE2 3.48Å; P41-W281 VanDerWaalsContact CD-CZ2 3.41Å; P41-W281 HydrophobicContact CG-CZ2 4.04Å
42V68Low72.5Confident130 Ų13098 Ų9879%0.78850%0.503SS*.  trans-90.4105.6171.4-1760000107.8V40V40-V42 PolarHBondContact O-N 3.47Å
43P63.7Low72.2Confident22 Ų2298 Ų9814%0.14350%0.503CS..  trans-71.6138.6175.727.5-33.1000111P41 R45 M48 N280P41-P43 WeakPolarHBondContact O-CD 3.02Å; P43-R45 PolarHBondContact O-N 3Å; P43-M48 HydrophobicContact CB-CG 4.34Å; P43-M48 HydrophobicContact CB-SD 3.83Å; P43-M48 HydrophobicContact CG-SD 3.72Å; P43-N280 HydrophobicContact CG-CB 3.76Å; P43-N280 WeakPolarHBondContact CG-O 3.43Å
44D63.7Low72.3Confident77 Ų7792.4 Ų92.441%0.41248%0.481SS..  trans-67.8123176.6-63.2-54.4000109.7V46 N47 K331D44-V46 PolarHBondContact O-N 3.3Å; D44-N47 PolarHBondContact O-N 3.13Å; D44-K331 IonicContact OD2-NZ 2.81Å; D44-K331 PolarHBondContact OD2-NZ 3.19Å
45R57.6Low72.4Confident204 Ų20492.3 Ų92.377%0.7749%0.494SS*.G310 helixtrans-51.5-34.5-173.7-72.5-173.7177.3-177.6-1.6114.5P43 N47 M48P43-R45 PolarHBondContact O-N 3Å; R45-N47 VanDerWaalsContact C-N 3.34Å; R45-N47 PolarHBondContact O-N 3.28Å; R45-M48 PolarHBondContact O-N 2.83Å
46V51.6Low72.5Confident120 Ų12097 Ų9773%0.72752%0.515SS*.G310 helixtrans-68.2-29.4-178.2-175.60000112.8D44 M48D44-V46 PolarHBondContact O-N 3.3Å; V46-M48 VanDerWaalsContact C-N 3.35Å
47N56.8Low72.8Confident62 Ų6288.8 Ų88.833%0.33248%0.477SS..G310 helixtrans-85.4-4.9-178.1-81.2-26000113.7D44 R45D44-N47 PolarHBondContact O-N 3.13Å; R45-N47 VanDerWaalsContact C-N 3.34Å; R45-N47 PolarHBondContact O-N 3.28Å
48M57Low72.9Confident35 Ų3592.9 Ų92.917%0.17249%0.489CS..THydrogen-bonded Turntrans-93.8-28.7-174.8-65.4-162.9-60.300113.8P43 R45 V46 E50 L51 N280P43-M48 HydrophobicContact CB-CG 4.34Å; P43-M48 HydrophobicContact CB-SD 3.83Å; P43-M48 HydrophobicContact CG-SD 3.72Å; R45-M48 PolarHBondContact O-N 2.83Å; V46-M48 VanDerWaalsContact C-N 3.35Å; M48-E50 PolarHBondContact O-N 2.02Å; M48-L51 WeakPolarHBondContact O-CB 3.33Å; M48-L51 PolarHBondContact O-N 2.86Å; M48-L51 VanDerWaalsContact O-N 3.15Å; M48-N280 HydrophobicContact CE-CB 3.38Å; M48-N280 WeakPolarHBondContact CE-OD1 3.49Å; M48-N280 HydrophobicContact SD-CB 3.34Å; M48-N280 WeakPolarHBondContact SD-CB 3.34Å; M48-N280 VanDerWaalsContact SD-O 3.37Å
49E56.4Low73.1Confident186 Ų18690.2 Ų90.287%0.86947%0.474SS*.THydrogen-bonded Turntrans-66.6-22176.2-66-179.9166.200112.1
50E59.5Low73.4Confident168 Ų16887.6 Ų87.679%0.78546%0.462SS*.THydrogen-bonded Turntrans-98.8-0.6174.3-69.2-173.6166.700114.1M48 V52M48-E50 PolarHBondContact O-N 2.02Å; E50-V52 PolarHBondContact O-N 3.49Å
51L69.5Low73.8Confident37 Ų3786.5 Ų86.519%0.19445%0.453CS..  trans-79.385-170.6-164.174.8000112M48 L283 T336M48-L51 WeakPolarHBondContact O-CB 3.33Å; M48-L51 PolarHBondContact O-N 2.86Å; M48-L51 VanDerWaalsContact O-N 3.15Å; L51-L283 HydrophobicContact CD2-CD1 3.64Å; L51-L283 HydrophobicContact CD2-CD2 3.96Å; L51-L283 HydrophobicContact CD2-CG 4.42Å; L51-T336 HydrophobicContact CD1-CG2 4.1Å; L51-T336 WeakPolarHBondContact CD1-O 3.3Å; L51-T336 HydrophobicContact CD2-CG2 4.19Å
52V78.8Confident74.2Confident117 Ų11787.6 Ų87.671%0.70946%0.459SS*.PPolyproline II helixtrans-85.5121.1174.3-176.90000110.4E50 P54E50-V52 PolarHBondContact O-N 3.49Å; V52-P54 WeakPolarHBondContact O-CD 3.32Å
53I83Confident75.1Confident26 Ų2683.7 Ų83.713%0.13344%0.44CS..PPolyproline II helixtrans-63.2116.2174.4-57.6173000109.7V57 R58 L283 E284 I327I53-V57 HydrophobicContact CG2-CB 4.11Å; I53-V57 HydrophobicContact CG2-CG1 4Å; I53-R58 HydrophobicContact CG2-CB 4.38Å; I53-L283 HydrophobicContact CD1-CB 4.2Å; I53-L283 HydrophobicContact CD1-CD1 4.48Å; I53-L283 HydrophobicContact CG1-CD1 4.21Å; I53-E284 HydrophobicContact CD1-CG 4.09Å; I53-I327 HydrophobicContact CD1-CD1 4.14Å; I53-I327 HydrophobicContact CD1-CG2 4.44Å; I53-I327 HydrophobicContact CG2-CD1 4.05Å
54P90.8Very high76.1Confident43 Ų4384.7 Ų84.728%0.27944%0.444SS..PPolyproline II helixtrans-62.1150-179.4-23.333.8000112.9V52 H56 V57 R58 P338V52-P54 WeakPolarHBondContact O-CD 3.32Å; P54-H56 VanDerWaalsContact C-N 3.26Å; P54-H56 WeakPolarHBondContact CB-CE1 3.41Å; P54-H56 WeakPolarHBondContact CB-ND1 3.32Å; P54-H56 PolarHBondContact O-N 2.76Å; P54-V57 HydrophobicContact CB-CG2 4.15Å; P54-V57 HydrophobicContact CG-CG2 4.13Å; P54-V57 PolarHBondContact O-N 3.37Å; P54-V57 VanDerWaalsContact O-N 3.13Å; P54-R58 PolarHBondContact O-N 2.78Å; P54-P338 HydrophobicContact CG-CG 4.23Å
55A87.1Confident77Confident82 Ų8283 Ų8368%0.67844%0.435SS*.Hα-helixtrans-57.3-36-178.100000113.5R58 A59A55-R58 PolarHBondContact O-N 2.68Å; A55-A59 WeakPolarHBondContact O-CB 3.41Å; A55-A59 PolarHBondContact O-N 3.5Å
56H88.3Confident78.2Confident134 Ų13482.8 Ų82.862%0.6243%0.434SS*.Hα-helixtrans-68.5-41178.565.5-90.9000112.5P54 A59 Q60P54-H56 VanDerWaalsContact C-N 3.26Å; P54-H56 WeakPolarHBondContact CB-CE1 3.41Å; P54-H56 WeakPolarHBondContact CB-ND1 3.32Å; P54-H56 PolarHBondContact O-N 2.76Å; H56-A59 PolarHBondContact O-N 2.91Å; H56-Q60 PolarHBondContact O-N 3.49Å
57V89.9Confident79.4Confident8 Ų886.7 Ų86.75%0.04844%0.436CS..Hα-helixtrans-62.6-45.5174.9179.60000109.8I53 P54 A59 Q60 Y61 I327 V340I53-V57 HydrophobicContact CG2-CB 4.11Å; I53-V57 HydrophobicContact CG2-CG1 4Å; P54-V57 HydrophobicContact CB-CG2 4.15Å; P54-V57 HydrophobicContact CG-CG2 4.13Å; P54-V57 PolarHBondContact O-N 3.37Å; P54-V57 VanDerWaalsContact O-N 3.13Å; V57-A59 PolarHBondContact O-N 2.86Å; V57-Q60 PolarHBondContact O-N 2.73Å; V57-Y61 WeakPolarHBondContact O-CB 3.08Å; V57-Y61 PolarHBondContact O-N 2.86Å; V57-I327 HydrophobicContact CG1-CD1 4.37Å; V57-I327 HydrophobicContact CG1-CG2 4.2Å; V57-V340 HydrophobicContact CB-CG2 4.5Å; V57-V340 HydrophobicContact CG1-CG2 3.53Å; V57-V340 WeakPolarHBondContact O-CG2 3.18Å
58R86.3Confident79.8Confident143 Ų14384.3 Ų84.354%0.5442%0.423SS..Hα-helixtrans-61-44.5176.8-170.2-178.1-63.3177.21.2112I53 P54 A55 Q60 Y61 V62I53-R58 HydrophobicContact CG2-CB 4.38Å; P54-R58 PolarHBondContact O-N 2.78Å; A55-R58 PolarHBondContact O-N 2.68Å; R58-Q60 PolarHBondContact O-N 3.4Å; R58-Y61 PolarHBondContact O-N 2.97Å; R58-V62 WeakPolarHBondContact O-CG2 3.48Å; R58-V62 PolarHBondContact O-N 3.28Å
59A85.8Confident80.1Confident63 Ų6388.2 Ų88.252%0.52144%0.441SS..Hα-helixtrans-62.3-42.4177.800000112A55 H56 V57 V62 A63A55-A59 WeakPolarHBondContact O-CB 3.41Å; A55-A59 PolarHBondContact O-N 3.5Å; H56-A59 PolarHBondContact O-N 2.91Å; V57-A59 PolarHBondContact O-N 2.86Å; A59-V62 PolarHBondContact O-N 3.4Å; A59-A63 WeakPolarHBondContact O-CB 3.37Å; A59-A63 PolarHBondContact O-N 2.95Å
60Q88.9Confident79.9Confident105 Ų10581.8 Ų81.849%0.49143%0.425SS..Hα-helixtrans-61.6-46.2175.3-177.5-178.2-0.600111.7H56 V57 R58 A63 L64 V340H56-Q60 PolarHBondContact O-N 3.49Å; V57-Q60 PolarHBondContact O-N 2.73Å; R58-Q60 PolarHBondContact O-N 3.4Å; Q60-A63 PolarHBondContact O-N 3.15Å; Q60-L64 PolarHBondContact O-N 3.07Å; Q60-L64 VanDerWaalsContact O-N 3.12Å; Q60-V340 HydrophobicContact CB-CG2 4.26Å; Q60-V340 HydrophobicContact CG-CB 4.47Å; Q60-V340 HydrophobicContact CG-CG2 4.23Å
61Y88.1Confident78.7Confident22 Ų2281.8 Ų81.89%0.08643%0.43CS..Hα-helixtrans-58.5-49.4176.5172.3-105.9000112.2V57 R58 A63 L64 L65 E284 P325 I327V57-Y61 WeakPolarHBondContact O-CB 3.08Å; V57-Y61 PolarHBondContact O-N 2.86Å; R58-Y61 PolarHBondContact O-N 2.97Å; Y61-A63 VanDerWaalsContact C-N 3.31Å; Y61-A63 PolarHBondContact O-N 3.1Å; Y61-L64 PolarHBondContact O-N 3.06Å; Y61-L65 HydrophobicContact CD1-CD1 3.8Å; Y61-L65 HydrophobicContact CE1-CD1 3.21Å; Y61-L65 HydrophobicContact CE1-CG 4.09Å; Y61-L65 HydrophobicContact CE2-CD1 4.21Å; Y61-L65 HydrophobicContact CE2-CG 4.24Å; Y61-L65 HydrophobicContact CG-CD1 4.49Å; Y61-L65 VanDerWaalsContact CZ-CD1 3.45Å; Y61-L65 PolarHBondContact O-N 2.91Å; Y61-E284 HydrophobicContact CE1-CB 4.37Å; Y61-E284 HydrophobicContact CE2-CB 4.39Å; Y61-P325 HydrophobicContact CD2-CB 3.99Å; Y61-P325 HydrophobicContact CD2-CG 4.42Å; Y61-P325 HydrophobicContact CE2-CB 4.12Å; Y61-P325 HydrophobicContact CE2-CG 4.21Å; Y61-P325 WeakPolarHBondContact CE2-O 3.5Å; Y61-I327 HydrophobicContact CD1-CD1 4.08Å; Y61-I327 HydrophobicContact CD2-CD1 4.11Å; Y61-I327 HydrophobicContact CD2-CG1 3.69Å; Y61-I327 HydrophobicContact CE2-CG1 4.25Å; Y61-I327 HydrophobicContact CG-CD1 3.76Å; Y61-I327 HydrophobicContact CG-CG1 3.86Å
62V87.3Confident77.4Confident56 Ų5689.2 Ų89.234%0.33946%0.456SS..Hα-helixtrans-62.2-37.9178.6172.30000111.9R58 A59 L64 L65 R66R58-V62 WeakPolarHBondContact O-CG2 3.48Å; R58-V62 PolarHBondContact O-N 3.28Å; A59-V62 PolarHBondContact O-N 3.4Å; V62-L64 VanDerWaalsContact C-N 3.34Å; V62-L64 PolarHBondContact O-N 3.1Å; V62-L65 PolarHBondContact O-N 3.25Å; V62-R66 WeakPolarHBondContact O-CG 3.45Å; V62-R66 PolarHBondContact O-N 2.75Å
63A86.1Confident75.3Confident47 Ų4789.4 Ų89.439%0.38846%0.462SS..Hα-helixtrans-63.4-40176.600000112.2A59 Q60 Y61 R67A59-A63 WeakPolarHBondContact O-CB 3.37Å; A59-A63 PolarHBondContact O-N 2.95Å; Q60-A63 PolarHBondContact O-N 3.15Å; Y61-A63 VanDerWaalsContact C-N 3.31Å; Y61-A63 PolarHBondContact O-N 3.1Å; A63-R67 PolarHBondContact O-N 2.78Å
64L85.6Confident73.1Confident44 Ų4499.9 Ų99.923%0.2350%0.5CS..Hα-helixtrans-70.1-39.7176-69.3175000112.2Q60 Y61 V62 R66 R67 S68 P325 V340Q60-L64 PolarHBondContact O-N 3.07Å; Q60-L64 VanDerWaalsContact O-N 3.12Å; Y61-L64 PolarHBondContact O-N 3.06Å; V62-L64 VanDerWaalsContact C-N 3.34Å; V62-L64 PolarHBondContact O-N 3.1Å; L64-R66 PolarHBondContact O-N 3.36Å; L64-R67 PolarHBondContact O-N 3.26Å; L64-S68 PolarHBondContact O-N 3.23Å; L64-S68 VanDerWaalsContact O-N 3.1Å; L64-P325 HydrophobicContact CB-CB 3.72Å; L64-P325 HydrophobicContact CB-CG 4.01Å; L64-P325 HydrophobicContact CD1-CB 4.17Å; L64-V340 HydrophobicContact CD1-CG1 3.81Å
65L83.3Confident70.2Confident41 Ų41101.2 Ų101.222%0.21552%0.522CS..Hα-helixtrans-57.6-48.7174-81.5174.1000111.3Y61 V62 R67 S68 H69 P325Y61-L65 HydrophobicContact CD1-CD1 3.8Å; Y61-L65 HydrophobicContact CE1-CD1 3.21Å; Y61-L65 HydrophobicContact CE1-CG 4.09Å; Y61-L65 HydrophobicContact CE2-CD1 4.21Å; Y61-L65 HydrophobicContact CE2-CG 4.24Å; Y61-L65 HydrophobicContact CG-CD1 4.49Å; Y61-L65 VanDerWaalsContact CZ-CD1 3.45Å; Y61-L65 PolarHBondContact O-N 2.91Å; V62-L65 PolarHBondContact O-N 3.25Å; L65-R67 PolarHBondContact O-N 2.92Å; L65-R67 VanDerWaalsContact O-N 3.16Å; L65-S68 PolarHBondContact O-N 3.1Å; L65-S68 VanDerWaalsContact O-N 3.07Å; L65-S68 PolarHBondContact O-OG 2.88Å; L65-H69 PolarHBondContact O-CD2 3.43Å; L65-H69 PolarHBondContact O-N 2.82Å; L65-P325 HydrophobicContact CB-CG 4.46Å; L65-P325 HydrophobicContact CD2-CG 3.65Å; L65-P325 HydrophobicContact CG-CG 3.75Å
66R81.4Confident67.4Low200 Ų200106.1 Ų106.176%0.75553%0.528SS*.Hα-helixtrans-58.6-33.3-180-72.8179.5179.5-175.70.3113V62 L64V62-R66 WeakPolarHBondContact O-CG 3.45Å; V62-R66 PolarHBondContact O-N 2.75Å; L64-R66 PolarHBondContact O-N 3.36Å
67R77.1Confident64.6Low202 Ų202109 Ų10976%0.76253%0.533SS*.Hα-helixtrans-73.5-35.6176.8-68.9177.3-176.7-177.81.3112.9A63 L64 L65 H69A63-R67 PolarHBondContact O-N 2.78Å; L64-R67 PolarHBondContact O-N 3.26Å; L65-R67 PolarHBondContact O-N 2.92Å; L65-R67 VanDerWaalsContact O-N 3.16Å; R67-H69 VanDerWaalsContact C-N 3.25Å; R67-H69 PolarHBondContact O-N 3.4Å
68S66.2Low61.7Low11 Ų11116.8 Ų116.88%0.07757%0.567CS.*Hα-helixtrans-71.9-20.8-179.672.70000113.1L64 L65 S323 R347L64-S68 PolarHBondContact O-N 3.23Å; L64-S68 VanDerWaalsContact O-N 3.1Å; L65-S68 PolarHBondContact O-N 3.1Å; L65-S68 VanDerWaalsContact O-N 3.07Å; L65-S68 PolarHBondContact O-OG 2.88Å; S68-S323 VanDerWaalsContact CB-O 3.3Å; S68-S323 WeakPolarHBondContact CB-O 3.48Å; S68-R347 PolarHBondContact O-NH2 3.07Å; S68-R347 PolarHBondContact OG-NH2 3.36Å
69H62.2Low59.1Low117 Ų117113.5 Ų113.554%0.54257%0.565SS.*THydrogen-bonded Turntrans-92.813.1-178.2-79.3-98.5000115.1L65 R67 R347L65-H69 PolarHBondContact O-CD2 3.43Å; L65-H69 PolarHBondContact O-N 2.82Å; R67-H69 VanDerWaalsContact C-N 3.25Å; R67-H69 PolarHBondContact O-N 3.4Å; H69-R347 PolarHBondContact CD2-NH2 3.45Å; H69-R347 VanDerWaalsContact CD2-NH2 3.29Å; H69-R347 PolarHBondContact CE1-NH1 3.39Å; H69-R347 PolarHBondContact NE2-NH1 3Å; H69-R347 PolarHBondContact NE2-NH2 3.04Å
70G53.4Low56.3Low52 Ų52118.9 Ų118.954%0.53658%0.58SS.*  trans-55.4150.4-172.600000117.4
71D34.7Very low53.5Low167 Ų167118.5 Ų118.589%0.89359%0.588SS**  trans-49.3131.7-158.7-85.2-50.2000119.9S73D71-S73 PolarHBondContact O-N 3.1Å
72R41.2Very low51Low193 Ų193123.6 Ų123.673%0.72861%0.611SS**  trans-70.2100.9169.6-73.9175.2160.4172-10.6111R74 D250R72-R74 PolarHBondContact O-N 3.22Å; R72-D250 IonicContact NH2-OD2 3.98Å
73S35.2Very low48.7Very low121 Ų121129.4 Ų129.485%0.84663%0.627SS**  trans-74.5113.3175.3630000112.4D71 G75D71-S73 PolarHBondContact O-N 3.1Å; S73-G75 PolarHBondContact O-N 2.82Å
74R36Very low46.8Very low247 Ų247132.2 Ų132.293%0.93263%0.632SS**  trans-74.2107.8176.6-74.9177.3172.6174.7-2.9110.8R72R72-R74 PolarHBondContact O-N 3.22Å
75G30.5Very low45.2Very low71 Ų71130.5 Ų130.573%0.73262%0.623SS**  trans-74.8126.7177.300000113.1S73S73-G75 PolarHBondContact O-N 2.82Å
76K27.9Very low43.6Very low184 Ų184131.2 Ų131.280%0.864%0.635SS**  trans-83.4150.9175.2-72.3-179.2-179.7178.60111.9
77R30.6Very low42Very low196 Ų196121.7 Ų121.774%0.7460%0.599SS**  trans-100.8107.3-160.6-163.4-172-137.9173.64.3110.6R243R77-R243 VanDerWaalsContact CG-NH2 3.29Å
78F27.7Very low40.8Very low171 Ų171119.8 Ų119.875%0.7559%0.592SS**  trans-146.7130159.1-66.9-72.8000109.4
79S31.6Very low40.1Very low73 Ų73122 Ų12251%0.5160%0.6SS.*  trans-117.9137.2177.6168.70000106.9
80H28.1Very low39.3Very low177 Ų177121 Ų12182%0.81960%0.599SS**  trans-175.8141.7142.8-110.5-93.4000108.5
81S29Very low39.1Very low96 Ų96121.1 Ų121.167%0.67159%0.594SS**  trans-112.7153.8-174.5176.70000112.4
82F35.2Very low39.7Very low130 Ų130116.8 Ų116.857%0.5758%0.577SS**  trans82.4115.4168.7-143.4-102.3000118.3E84F82-E84 HydrophobicContact CE1-CG 3.64Å; F82-E84 WeakPolarHBondContact CE1-OE1 3.37Å; F82-E84 HydrophobicContact CZ-CG 3.96Å
83R40.2Very low40.5Very low178 Ų178114.5 Ų114.567%0.67258%0.575SS**  trans-156.696.4173.7-115.6177.8-175.9-1732.3109.2
84E44.9Very low41.8Very low105 Ų105114 Ų11449%0.49158%0.577SS.*  trans-53.1142.4165-72.6169.2-16900110F82F82-E84 HydrophobicContact CE1-CG 3.64Å; F82-E84 WeakPolarHBondContact CE1-OE1 3.37Å; F82-E84 HydrophobicContact CZ-CG 3.96Å
85M52Low43.6Very low8 Ų8104.4 Ų104.44%0.03955%0.548CS..EExtended strand (participates in β ladder)trans-114.5119.6178.3-67.1179.7-81.500110.1F101 M103 R106 Q234 L235 L237M85-F101 HydrophobicContact CB-CD1 3.84Å; M85-F101 HydrophobicContact CB-CE1 4.32Å; M85-F101 HydrophobicContact SD-CB 4.26Å; M85-F101 HydrophobicContact SD-CD1 4.39Å; M85-M103 HydrophobicContact CE-CE 4.33Å; M85-M103 HydrophobicContact CE-SD 3.78Å; M85-M103 HydrophobicContact SD-SD 3.62Å; M85-M103 VanDerWaalsContact SD-SD 3.62Å; M85-R106 HydrophobicContact SD-CG 4.3Å; M85-Q234 WeakPolarHBondContact O-CA 3.34Å; M85-L235 HydrophobicContact CB-CB 4.31Å; M85-L235 HydrophobicContact CE-CB 3.82Å; M85-L235 HydrophobicContact CE-CD2 3.38Å; M85-L235 HydrophobicContact CE-CG 3.46Å; M85-L235 VanDerWaalsContact CE-CG 3.46Å; M85-L235 PolarHBondContact O-N 2.75Å; M85-L235 VanDerWaalsContact O-N 3.16Å; M85-L235 HydrophobicContact SD-CD2 4.35Å; M85-L237 HydrophobicContact CE-CD1 3.62Å; M85-L237 HydrophobicContact CE-CD2 4.25Å; M85-L237 HydrophobicContact CE-CG 3.74Å
86A50.5Low46.1Very low56 Ų56102.5 Ų102.546%0.46352%0.522SS..EExtended strand (participates in β ladder)trans-78116.4161.500000108.5E232A86-E232 WeakPolarHBondContact CB-OE2 3.31Å
87G48.9Very low48.8Very low1 Ų195.2 Ų95.21%0.0149%0.491CS..PPolyproline II helixtrans-71.6134.4174.300000110.9Q224 P233G87-Q224 PolarHBondContact O-NE2 3.4Å; G87-P233 PolarHBondContact N-O 3.07Å
88R50.7Low51.4Low162 Ų16287.6 Ų87.661%0.61147%0.465SS*.EExtended strand (participates in β ladder)trans-86.2130.7173.8-172.6175.8176-174-1.6110.1L90 V100R88-L90 HydrophobicContact CG-CD2 4.05Å; R88-V100 PolarHBondContact N-O 2.88Å; R88-V100 VanDerWaalsContact N-O 3.12Å; R88-V100 PolarHBondContact O-N 3.32Å
89F50.7Low54.2Low56 Ų5679.6 Ų79.625%0.24643%0.43CS..EExtended strand (participates in β ladder)trans-86.5122.1177.7-168.3-94.5000111A91 S92 H97 L99F89-A91 WeakPolarHBondContact CE1-O 3.4Å; F89-A91 WeakPolarHBondContact CZ-O 3.48Å; F89-S92 VanDerWaalsContact CE1-CB 3.44Å; F89-S92 VanDerWaalsContact CZ-CA 3.44Å; F89-H97 HydrophobicContact CD2-CB 4.41Å; F89-H97 VanDerWaalsContact CE2-CA 3.48Å; F89-H97 HydrophobicContact CE2-CB 3.49Å; F89-H97 VanDerWaalsContact CE2-CB 3.49Å; F89-H97 AromaticContact CE2-CG 3.61Å; F89-H97 AromaticContact CE2-ND1 3.05Å; F89-H97 WeakPolarHBondContact CE2-ND1 3.45Å; F89-H97 HydrophobicContact CZ-CB 4.27Å; F89-H97 AromaticContact CZ-ND1 3.24Å; F89-H97 WeakPolarHBondContact CZ-ND1 3Å; F89-L99 HydrophobicContact CD2-CD2 4.4Å
90L46.9Very low56.8Low98 Ų9877.4 Ų77.451%0.51341%0.414SS..EExtended strand (participates in β ladder)trans-116.5-15.9-176-66-176.3000115.5R88 L98 V100R88-L90 HydrophobicContact CG-CD2 4.05Å; L90-L98 PolarHBondContact N-O 2.93Å; L90-V100 HydrophobicContact CD1-CB 4.44Å; L90-V100 HydrophobicContact CD1-CG2 3.52Å; L90-V100 HydrophobicContact CG-CG2 4.01Å
91A48.6Very low59.5Low54 Ų5469 Ų6945%0.44638%0.375SS..EExtended strand (participates in β ladder)trans-157123.7176.300000111.1F89 L98F89-A91 WeakPolarHBondContact CE1-O 3.4Å; F89-A91 WeakPolarHBondContact CZ-O 3.48Å; A91-L98 PolarHBondContact O-N 2.96Å
92S48.4Very low62Low75 Ų7566.7 Ų66.752%0.52437%0.366SS..EExtended strand (participates in β ladder)trans-108.6102.7166.5-157.60000108.2F89 T96F89-S92 VanDerWaalsContact CE1-CB 3.44Å; F89-S92 VanDerWaalsContact CZ-CA 3.44Å; S92-T96 WeakPolarHBondContact CA-O 3.11Å
93E57Low64.1Low146 Ų14660.7 Ų60.768%0.68234%0.34SS*.EExtended strand (participates in β ladder)trans-76155.7141.9-68.3-178.116900106.6S95 T96E93-S95 PolarHBondContact O-N 3.12Å; E93-T96 PolarHBondContact N-O 3.09Å; E93-T96 PolarHBondContact O-N 2.93Å; E93-T96 VanDerWaalsContact O-O 3.11Å
94A63.3Low65.4Low109 Ų10960 Ų6090%0.90134%0.344SS*.THydrogen-bonded Turntrans-57.5-11-165.700000115.9
95S73.1Confident66.4Low46 Ų4663.4 Ų63.432%0.32236%0.36SS..THydrogen-bonded Turntrans-135.73.3178.255.20000114.2E93 S202 V203E93-S95 PolarHBondContact O-N 3.12Å; S95-S202 CarbonylContact O-C 3.51Å; S95-S202 WeakPolarHBondContact O-CA 3.26Å; S95-V203 WeakPolarHBondContact CB-O 3.45Å; S95-V203 PolarHBondContact O-N 2.84Å
96T82.9Confident67.3Low31 Ų3166.7 Ų66.719%0.1937%0.372CS..EExtended strand (participates in β ladder)trans-127.7130.7-174.6-50.30000109.7S92 E93 Q200 V201S92-T96 WeakPolarHBondContact CA-O 3.11Å; E93-T96 PolarHBondContact N-O 3.09Å; E93-T96 PolarHBondContact O-N 2.93Å; E93-T96 VanDerWaalsContact O-O 3.11Å; T96-Q200 HydrophobicContact CG2-CG 3.68Å; T96-V201 CarbonylContact C-O 3.57Å; T96-V201 WeakPolarHBondContact CA-O 3.42Å
97H83.9Confident68.3Low31 Ų3165.5 Ų65.514%0.14436%0.358CS..EExtended strand (participates in β ladder)trans-128.6115.9-168.6-69.6-62.1000109.5F89 V201F89-H97 HydrophobicContact CD2-CB 4.41Å; F89-H97 VanDerWaalsContact CE2-CA 3.48Å; F89-H97 HydrophobicContact CE2-CB 3.49Å; F89-H97 VanDerWaalsContact CE2-CB 3.49Å; F89-H97 AromaticContact CE2-CG 3.61Å; F89-H97 AromaticContact CE2-ND1 3.05Å; F89-H97 WeakPolarHBondContact CE2-ND1 3.45Å; F89-H97 HydrophobicContact CZ-CB 4.27Å; F89-H97 AromaticContact CZ-ND1 3.24Å; F89-H97 WeakPolarHBondContact CZ-ND1 3Å; H97-V201 HydrophobicContact CB-CB 4.17Å; H97-V201 PolarHBondContact N-O 3.46Å; H97-V201 PolarHBondContact O-N 3.24Å
98L86.1Confident69.3Low36 Ų3667.1 Ų67.119%0.18837%0.368CS..EExtended strand (participates in β ladder)trans-94.7119.1174.7-176.364000110.8L90 A91 V100 L150 L198L90-L98 PolarHBondContact N-O 2.93Å; A91-L98 PolarHBondContact O-N 2.96Å; L98-V100 HydrophobicContact CG-CG2 4.47Å; L98-L150 HydrophobicContact CD1-CD2 3.74Å; L98-L198 HydrophobicContact CD1-CB 4.37Å
99L86.9Confident70Confident4 Ų464.4 Ų64.42%0.02137%0.372CS..EExtended strand (participates in β ladder)trans-104.7129.5176.6-56177.5000110.4F89 F101 L118 L120 L198 L199 V201 P233F89-L99 HydrophobicContact CD2-CD2 4.4Å; L99-F101 HydrophobicContact CB-CD2 4.36Å; L99-F101 HydrophobicContact CB-CE2 3.56Å; L99-F101 HydrophobicContact CB-CZ 4.04Å; L99-F101 HydrophobicContact CD1-CE2 4.2Å; L99-F101 HydrophobicContact CD1-CZ 4.19Å; L99-L118 HydrophobicContact CD1-CD1 3.91Å; L99-L118 HydrophobicContact CD1-CD2 4.07Å; L99-L120 HydrophobicContact CD1-CD2 3.97Å; L99-L198 WeakPolarHBondContact O-CA 3.37Å; L99-L199 HydrophobicContact CB-CB 4.41Å; L99-L199 PolarHBondContact N-O 3.31Å; L99-L199 PolarHBondContact O-N 3.46Å; L99-V201 HydrophobicContact CD1-CG2 3.86Å; L99-V201 HydrophobicContact CG-CG2 4.42Å; L99-P233 HydrophobicContact CD1-CB 4.08Å; L99-P233 HydrophobicContact CD2-CB 3.92Å; L99-P233 HydrophobicContact CD2-CG 3.8Å
100V86.4Confident70.8Confident27 Ų2764.1 Ų64.116%0.16437%0.373CS..EExtended strand (participates in β ladder)trans-114.9123.2178.6-175.20000110.5R88 L90 L98 P196 L198R88-V100 PolarHBondContact N-O 2.88Å; R88-V100 VanDerWaalsContact N-O 3.12Å; R88-V100 PolarHBondContact O-N 3.32Å; L90-V100 HydrophobicContact CD1-CB 4.44Å; L90-V100 HydrophobicContact CD1-CG2 3.52Å; L90-V100 HydrophobicContact CG-CG2 4.01Å; L98-V100 HydrophobicContact CG-CG2 4.47Å; V100-P196 HydrophobicContact CG1-CB 3.83Å; V100-P196 HydrophobicContact CG1-CG 4.02Å; V100-L198 HydrophobicContact CB-CD2 4.03Å; V100-L198 HydrophobicContact CG1-CD2 3.76Å; V100-L198 HydrophobicContact CG2-CD2 3.5Å
101F84.2Confident72.1Confident1 Ų160.4 Ų60.40%0.00436%0.355CS..EExtended strand (participates in β ladder)trans-116.7118.3179.1-61.2-81.4000110.8M85 L99 M103 L118 P196 L197 L199 L235M85-F101 HydrophobicContact CB-CD1 3.84Å; M85-F101 HydrophobicContact CB-CE1 4.32Å; M85-F101 HydrophobicContact SD-CB 4.26Å; M85-F101 HydrophobicContact SD-CD1 4.39Å; L99-F101 HydrophobicContact CB-CD2 4.36Å; L99-F101 HydrophobicContact CB-CE2 3.56Å; L99-F101 HydrophobicContact CB-CZ 4.04Å; L99-F101 HydrophobicContact CD1-CE2 4.2Å; L99-F101 HydrophobicContact CD1-CZ 4.19Å; F101-M103 HydrophobicContact CB-SD 4.07Å; F101-M103 PolarHBondContact O-N 2.93Å; F101-M103 VanDerWaalsContact O-N 3.16Å; F101-L118 HydrophobicContact CE2-CD1 4.27Å; F101-L118 HydrophobicContact CZ-CD1 3.79Å; F101-P196 WeakPolarHBondContact O-CA 3.47Å; F101-P196 VanDerWaalsContact O-CB 3.31Å; F101-P196 WeakPolarHBondContact O-CB 3.43Å; F101-L197 HydrophobicContact CB-CB 4.23Å; F101-L197 PolarHBondContact N-O 2.97Å; F101-L197 PolarHBondContact O-N 2.74Å; F101-L199 HydrophobicContact CD2-CD1 4.3Å; F101-L199 HydrophobicContact CD2-CG 4.49Å; F101-L199 HydrophobicContact CE2-CB 4.47Å; F101-L199 HydrophobicContact CE2-CD1 3.92Å; F101-L199 HydrophobicContact CE2-CG 4.36Å; F101-L235 HydrophobicContact CB-CD2 4.11Å; F101-L235 HydrophobicContact CD1-CB 3.69Å; F101-L235 HydrophobicContact CD1-CD2 3.9Å; F101-L235 HydrophobicContact CD1-CG 4.46Å; F101-L235 HydrophobicContact CD2-CD2 3.98Å; F101-L235 HydrophobicContact CE1-CB 3.39Å; F101-L235 HydrophobicContact CE1-CD2 4.3Å; F101-L235 HydrophobicContact CE1-CG 4.49Å; F101-L235 HydrophobicContact CE2-CB 4.44Å; F101-L235 HydrophobicContact CE2-CD2 4.37Å; F101-L235 HydrophobicContact CG-CB 4.33Å; F101-L235 HydrophobicContact CG-CD2 3.72Å; F101-L235 HydrophobicContact CZ-CB 3.81Å
102G81.6Confident73.5Confident47 Ų4760.7 Ų60.749%0.48535%0.347SS..  trans-7598.1171.900000110.6E104 R106G102-E104 VanDerWaalsContact C-N 3.33Å; G102-R106 WeakPolarHBondContact O-CG 3.34Å
103M78.1Confident74.8Confident4 Ų457.9 Ų57.92%0.0233%0.326CS..  trans-87.50.6-174-62-60.8-72.700114M85 F101 Q105 R106 L107 V184 W187 L197 L235 L237M85-M103 HydrophobicContact CE-CE 4.33Å; M85-M103 HydrophobicContact CE-SD 3.78Å; M85-M103 HydrophobicContact SD-SD 3.62Å; M85-M103 VanDerWaalsContact SD-SD 3.62Å; F101-M103 HydrophobicContact CB-SD 4.07Å; F101-M103 PolarHBondContact O-N 2.93Å; F101-M103 VanDerWaalsContact O-N 3.16Å; M103-Q105 PolarHBondContact O-N 3.13Å; M103-R106 PolarHBondContact O-N 2.97Å; M103-R106 VanDerWaalsContact O-N 3.16Å; M103-L107 HydrophobicContact CE-CD1 4.05Å; M103-V184 HydrophobicContact CE-CG1 3.95Å; M103-W187 HydrophobicContact CB-CD2 4.34Å; M103-W187 HydrophobicContact CB-CE3 4.34Å; M103-W187 HydrophobicContact CB-CH2 3.3Å; M103-W187 HydrophobicContact CB-CZ2 3.27Å; M103-W187 HydrophobicContact CB-CZ3 3.87Å; M103-W187 HydrophobicContact CG-CD2 4.33Å; M103-W187 HydrophobicContact CG-CH2 4.27Å; M103-W187 HydrophobicContact CG-CZ2 4.05Å; M103-L197 HydrophobicContact CE-CD2 4.49Å; M103-L197 HydrophobicContact CG-CB 3.5Å; M103-L197 HydrophobicContact SD-CB 4.13Å; M103-L197 HydrophobicContact SD-CD2 4.17Å; M103-L235 HydrophobicContact SD-CD2 4.13Å; M103-L237 HydrophobicContact CE-CD1 3.84Å; M103-L237 HydrophobicContact CE-CD2 4.4Å
104E68.6Low75.7Confident162 Ų16253 Ų5376%0.75731%0.306SS*.THydrogen-bonded Turntrans-63125.4-176.6-171147.7-146.400111.4G102 R106G102-E104 VanDerWaalsContact C-N 3.33Å; E104-R106 PolarHBondContact O-N 2.88Å; E104-R106 VanDerWaalsContact O-N 3.09Å
105Q65.2Low76.4Confident177 Ų17749 Ų4983%0.82727%0.269SS*.THydrogen-bonded Turntrans59.313-176.3-52.5174.614.600115.3M103M103-Q105 PolarHBondContact O-N 3.13Å
106R70.8Confident76.9Confident77 Ų7746.9 Ų46.929%0.29125%0.254SS..THydrogen-bonded Turntrans-85.7-21.5-179.5-60.3-57.9-176.7117.8-2.6113.9M85 G102 M103 E104M85-R106 HydrophobicContact SD-CG 4.3Å; G102-R106 WeakPolarHBondContact O-CG 3.34Å; M103-R106 PolarHBondContact O-N 2.97Å; M103-R106 VanDerWaalsContact O-N 3.16Å; E104-R106 PolarHBondContact O-N 2.88Å; E104-R106 VanDerWaalsContact O-N 3.09Å
107L71.6Confident77.1Confident31 Ų3145.9 Ų45.916%0.16225%0.247CC..SBendtrans-106.6109.8173.3-74.8158000108.9M103 L113 V184 W187 Q188 L237 T239M103-L107 HydrophobicContact CE-CD1 4.05Å; L107-L113 HydrophobicContact CD2-CB 4.47Å; L107-L113 HydrophobicContact CD2-CD1 4.11Å; L107-V184 HydrophobicContact CD1-CG1 3.85Å; L107-W187 HydrophobicContact CD1-CE3 4.2Å; L107-W187 HydrophobicContact CD1-CZ3 3.71Å; L107-Q188 HydrophobicContact CD1-CG 3.83Å; L107-L237 HydrophobicContact CD2-CD1 4.14Å; L107-L237 HydrophobicContact CG-CD1 4.21Å; L107-T239 HydrophobicContact CD2-CG2 3.9Å
108P69.4Low77.4Confident36 Ų3644.4 Ų44.423%0.23424%0.241CC..  trans-57.7144.4177-21.427.9000111.9N110 S111P108-N110 PolarHBondContact O-N 3.43Å; P108-S111 WeakPolarHBondContact CB-OG 3.3Å; P108-S111 WeakPolarHBondContact CD-OG 3.4Å; P108-S111 WeakPolarHBondContact CG-OG 3.4Å; P108-S111 PolarHBondContact O-N 2.9Å; P108-S111 PolarHBondContact O-OG 3.12Å
109P66Low77.5Confident105 Ų10545.8 Ų45.868%0.68224%0.243SC*.THydrogen-bonded Turntrans-67.9-21.1-17926.8-34.5000113.9
110N68.3Low77.6Confident50 Ų5045.9 Ų45.927%0.26724%0.244SC..THydrogen-bonded Turntrans-109.330.4178.4-58.6-47.2000111.7P108 L242P108-N110 PolarHBondContact O-N 3.43Å; N110-L242 VanDerWaalsContact O-CB 3.31Å; N110-L242 WeakPolarHBondContact O-CB 3.24Å; N110-L242 WeakPolarHBondContact O-CG 3.38Å; N110-L242 PolarHBondContact O-N 3.01Å
111S74.7Confident77.7Confident20 Ų2047.3 Ų47.314%0.1425%0.248CC..EExtended strand (participates in β ladder)trans-126.5142.317767.30000111.1P108 L240P108-S111 WeakPolarHBondContact CB-OG 3.3Å; P108-S111 WeakPolarHBondContact CD-OG 3.4Å; P108-S111 WeakPolarHBondContact CG-OG 3.4Å; P108-S111 PolarHBondContact O-N 2.9Å; P108-S111 PolarHBondContact O-OG 3.12Å; S111-L240 CarbonylContact C-O 3.57Å; S111-L240 WeakPolarHBondContact CA-O 3.33Å; S111-L240 WeakPolarHBondContact CB-O 3.29Å
112E76Confident78Confident60 Ų6047.3 Ų47.328%0.2825%0.248SC..EExtended strand (participates in β ladder)trans-92.3132.3171.4-176-179.4152.600108.9V114 T239 L240 L242 R314E112-V114 PolarHBondContact O-N 2.81Å; E112-T239 CarbonylContact O-C 3.59Å; E112-T239 WeakPolarHBondContact O-CA 3.39Å; E112-T239 WeakPolarHBondContact O-CB 3.49Å; E112-L240 PolarHBondContact N-O 3.26Å; E112-L240 PolarHBondContact O-N 3.16Å; E112-L242 HydrophobicContact CB-CD2 3.96Å; E112-L242 HydrophobicContact CB-CG 4.46Å; E112-R314 IonicContact OE1-CZ 2.68Å; E112-R314 IonicContact OE1-NH1 3.93Å; E112-R314 PolarHBondContact OE1-NH1 3.28Å; E112-R314 IonicContact OE1-NH2 3.14Å; E112-R314 IonicContact OE2-CZ 3.31Å; E112-R314 IonicContact OE2-NH1 3.69Å; E112-R314 PolarHBondContact OE2-NH1 3.25Å; E112-R314 IonicContact OE2-NH2 2.78Å; E112-R314 PolarHBondContact OE2-NH2 3.47Å
113L77.6Confident78.4Confident15 Ų1548.4 Ų48.48%0.07924%0.24CC..EExtended strand (participates in β ladder)trans-75.3116.7169.6-179.773000108.5L107 Q115 A116 T181 V184 L237 T239L107-L113 HydrophobicContact CD2-CB 4.47Å; L107-L113 HydrophobicContact CD2-CD1 4.11Å; L113-Q115 WeakPolarHBondContact CD1-O 3.33Å; L113-A116 HydrophobicContact CD1-CB 4.4Å; L113-A116 HydrophobicContact CD2-CB 4.46Å; L113-T181 HydrophobicContact CD2-CG2 4.3Å; L113-V184 HydrophobicContact CD2-CB 3.62Å; L113-V184 HydrophobicContact CD2-CG1 3.47Å; L113-V184 VanDerWaalsContact CD2-CG1 3.47Å; L113-L237 HydrophobicContact CD1-CB 4.41Å; L113-L237 HydrophobicContact CD1-CD2 4.29Å; L113-T239 HydrophobicContact CD1-CG2 4.14Å
114V75.1Confident78.9Confident45 Ų4552.4 Ų52.427%0.27327%0.267SS..EExtended strand (participates in β ladder)trans-90.6-43.4173.31760000110.3E112 H238 L240E112-V114 PolarHBondContact O-N 2.81Å; V114-H238 PolarHBondContact N-O 3.49Å; V114-L240 HydrophobicContact CG2-CB 4.26Å; V114-L240 HydrophobicContact CG2-CD1 3.4Å; V114-L240 VanDerWaalsContact CG2-CD1 3.4Å; V114-L240 HydrophobicContact CG2-CG 3.45Å; V114-L240 VanDerWaalsContact CG2-CG 3.45Å
115Q77.4Confident79.9Confident25 Ų2545.7 Ų45.712%0.11724%0.237CC..EExtended strand (participates in β ladder)trans-151.3142.7-176.3-160.9-178.21800111.4L113 V117 T181 H238L113-Q115 WeakPolarHBondContact CD1-O 3.33Å; Q115-V117 HydrophobicContact CG-CG2 3.77Å; Q115-T181 WeakPolarHBondContact CA-OG1 3.39Å; Q115-H238 HydrophobicContact CB-CB 4.11Å; Q115-H238 PolarHBondContact N-O 3.05Å; Q115-H238 VanDerWaalsContact N-O 3.15Å; Q115-H238 PolarHBondContact O-N 2.7Å
116A83.8Confident81.1Confident0 Ų041.2 Ų41.20%022%0.223CC..EExtended strand (participates in β ladder)trans-124.6128.9165.400000110L113 V180 T181 V184 L235 E236 L237L113-A116 HydrophobicContact CD1-CB 4.4Å; L113-A116 HydrophobicContact CD2-CB 4.46Å; A116-V180 HydrophobicContact CB-CG2 3.97Å; A116-V180 WeakPolarHBondContact O-CG2 3.45Å; A116-V180 PolarHBondContact O-N 2.96Å; A116-T181 PolarHBondContact N-OG1 3.37Å; A116-T181 PolarHBondContact O-N 2.87Å; A116-T181 PolarHBondContact O-OG1 3.14Å; A116-V184 HydrophobicContact CB-CB 4.15Å; A116-V184 HydrophobicContact CB-CG2 3.51Å; A116-L235 HydrophobicContact CB-CD1 4.49Å; A116-E236 CarbonylContact C-O 3.52Å; A116-E236 WeakPolarHBondContact CA-O 3.43Å; A116-L237 HydrophobicContact CB-CD2 3.6Å
117V87.7Confident81.9Confident10 Ų1045.6 Ų45.66%0.06124%0.244CC..EExtended strand (participates in β ladder)trans-125.7122.9-171.4178.10000110Q115 R119 V177 E236Q115-V117 HydrophobicContact CG-CG2 3.77Å; V117-R119 HydrophobicContact CG1-CG 4.15Å; V117-V177 HydrophobicContact CG1-CB 4.5Å; V117-V177 HydrophobicContact CG1-CG1 3.14Å; V117-E236 HydrophobicContact CB-CB 4.43Å; V117-E236 PolarHBondContact N-O 3.05Å; V117-E236 PolarHBondContact O-N 3.05Å
118L89.3Confident82.8Confident0 Ų046.9 Ų46.90%026%0.259CS..EExtended strand (participates in β ladder)trans-94121.2171.9178.267.7000109.7L99 F101 L120 V147 V177 F178 V180 L199 V201L99-L118 HydrophobicContact CD1-CD1 3.91Å; L99-L118 HydrophobicContact CD1-CD2 4.07Å; F101-L118 HydrophobicContact CE2-CD1 4.27Å; F101-L118 HydrophobicContact CZ-CD1 3.79Å; L118-L120 HydrophobicContact CD1-CD2 4.08Å; L118-L120 HydrophobicContact CD2-CD1 4.31Å; L118-L120 HydrophobicContact CD2-CD2 4.24Å; L118-L120 HydrophobicContact CD2-CG 4.31Å; L118-L120 HydrophobicContact CG-CD2 4.05Å; L118-L120 HydrophobicContact CG-CG 4.16Å; L118-V147 HydrophobicContact CD2-CG1 4.11Å; L118-V147 HydrophobicContact CD2-CG2 4.33Å; L118-V177 CarbonylContact O-C 3.57Å; L118-V177 WeakPolarHBondContact O-CA 3.49Å; L118-F178 HydrophobicContact CB-CB 4.31Å; L118-F178 PolarHBondContact N-O 3.01Å; L118-F178 PolarHBondContact O-N 3.16Å; L118-V180 HydrophobicContact CB-CG1 3.86Å; L118-V180 HydrophobicContact CB-CG2 4.08Å; L118-V180 HydrophobicContact CD2-CG1 4.5Å; L118-L199 HydrophobicContact CD2-CD1 4.19Å; L118-V201 HydrophobicContact CD2-CG2 4.12Å
119R89.3Confident83.6Confident66 Ų6646.4 Ų46.425%0.24926%0.258CS..EExtended strand (participates in β ladder)trans-107.4123.1176.4-61.3178.464.2-178.4-2.3110.1V117 W175 K176 V177 Q234 E236V117-R119 HydrophobicContact CG1-CG 4.15Å; R119-W175 HydrophobicContact CB-CE3 3.86Å; R119-W175 HydrophobicContact CB-CZ3 4.07Å; R119-K176 WeakPolarHBondContact CA-O 3.46Å; R119-V177 HydrophobicContact CG-CG2 4.47Å; R119-Q234 HydrophobicContact CB-CB 4.26Å; R119-Q234 PolarHBondContact N-O 3.37Å; R119-Q234 PolarHBondContact O-N 3.02Å; R119-E236 WeakPolarHBondContact CD-OE1 3.39Å; R119-E236 WeakPolarHBondContact CD-OE2 3.28Å; R119-E236 IonicContact CZ-OE1 2.7Å; R119-E236 IonicContact NE-OE1 3.07Å; R119-E236 IonicContact NH1-OE1 3.9Å; R119-E236 PolarHBondContact NH1-OE1 2.77Å; R119-E236 IonicContact NH1-OE2 2.86Å
120L89Confident84.5Confident5 Ų543 Ų433%0.02623%0.234CC..EExtended strand (participates in β ladder)trans-121.9130.1177.5-55.8179.1000109.3L99 L118 K176 F178 V201 F221 P233L99-L120 HydrophobicContact CD1-CD2 3.97Å; L118-L120 HydrophobicContact CD1-CD2 4.08Å; L118-L120 HydrophobicContact CD2-CD1 4.31Å; L118-L120 HydrophobicContact CD2-CD2 4.24Å; L118-L120 HydrophobicContact CD2-CG 4.31Å; L118-L120 HydrophobicContact CG-CD2 4.05Å; L118-L120 HydrophobicContact CG-CG 4.16Å; L120-K176 PolarHBondContact N-O 2.99Å; L120-K176 PolarHBondContact O-N 2.98Å; L120-F178 HydrophobicContact CB-CE2 4.47Å; L120-F178 HydrophobicContact CD1-CD2 4.1Å; L120-F178 HydrophobicContact CD1-CE2 3.81Å; L120-F178 HydrophobicContact CG-CD2 4.34Å; L120-F178 HydrophobicContact CG-CE2 4.27Å; L120-V201 HydrophobicContact CD1-CG1 3.79Å; L120-V201 HydrophobicContact CD1-CG2 4.07Å; L120-F221 HydrophobicContact CB-CD1 3.53Å; L120-F221 HydrophobicContact CB-CE1 3.8Å; L120-F221 HydrophobicContact CB-CG 4.15Å; L120-F221 HydrophobicContact CD1-CD1 4.45Å; L120-F221 HydrophobicContact CD1-CE1 4.46Å; L120-F221 HydrophobicContact CD1-CG 4.48Å; L120-P233 HydrophobicContact CD2-CB 3.78Å; L120-P233 HydrophobicContact CD2-CG 4.19Å
121F89Confident85.3Confident58 Ų5846.3 Ų46.325%0.25425%0.248SC..EExtended strand (participates in β ladder)trans-89.5115.1177.7-174.1-95.1000110.9W175 F221 A222 G231F121-W175 HydrophobicContact CB-CD2 4.19Å; F121-W175 HydrophobicContact CB-CE3 3.88Å; F121-W175 HydrophobicContact CB-CH2 4.1Å; F121-W175 HydrophobicContact CB-CZ2 4.36Å; F121-W175 HydrophobicContact CB-CZ3 3.85Å; F121-W175 AromaticContact CD2-CD2 3.92Å; F121-W175 HydrophobicContact CD2-CD2 3.92Å; F121-W175 AromaticContact CD2-CE2 3.8Å; F121-W175 HydrophobicContact CD2-CE3 4.47Å; F121-W175 HydrophobicContact CD2-CG 4.15Å; F121-W175 HydrophobicContact CD2-CZ2 4.28Å; F121-W175 AromaticContact CD2-NE1 3.9Å; F121-F221 VanDerWaalsContact O-CA 3.29Å; F121-F221 WeakPolarHBondContact O-CA 3.31Å; F121-A222 HydrophobicContact CB-CB 4.37Å; F121-A222 HydrophobicContact CD1-CB 4.2Å; F121-A222 PolarHBondContact O-N 2.85Å; F121-G231 VanDerWaalsContact CB-CA 3.4Å
122Q90.4Very high85.8Confident0 Ų053.1 Ų53.10%027%0.27CS..EExtended strand (participates in β ladder)trans-78.4120.2174.6180176.6-18.200109.9S169 E172 S173 G174 K176 V219 R220 F221Q122-S169 PolarHBondContact NE2-O 2.03Å; Q122-E172 PolarHBondContact NE2-O 3.24Å; Q122-S173 WeakPolarHBondContact O-CB 3.08Å; Q122-G174 PolarHBondContact N-O 2.76Å; Q122-G174 PolarHBondContact O-N 3.31Å; Q122-K176 HydrophobicContact CB-CG 4.15Å; Q122-V219 HydrophobicContact CG-CG1 4.49Å; Q122-R220 WeakPolarHBondContact CA-O 3.47Å; Q122-F221 HydrophobicContact CB-CD1 4.25Å; Q122-F221 HydrophobicContact CB-CE1 3.97Å
123E88.9Confident86.2Confident70 Ų7051.1 Ų51.133%0.32726%0.261SS..PPolyproline II helixtrans-69.2146.3178.3-63.4-177.1148.300111.4V125 R220 A222E123-V125 PolarHBondContact O-N 2.93Å; E123-R220 HydrophobicContact CB-CB 4.43Å; E123-R220 PolarHBondContact N-O 3.34Å; E123-R220 WeakPolarHBondContact OE2-CB 3.44Å; E123-A222 HydrophobicContact CG-CB 4.23Å
124P89.4Confident86.4Confident89 Ų8952.3 Ų52.358%0.57828%0.277SS*.PPolyproline II helixtrans-66129.9176.227.5-33.8000111.3
125V89.1Confident86.7Confident20 Ų2059.5 Ų59.512%0.12130%0.299CS..PPolyproline II helixtrans-78.3129.3176.4-173.90000109.8E123 K127 A129 L130 V170 L218E123-V125 PolarHBondContact O-N 2.93Å; V125-K127 PolarHBondContact O-N 2.87Å; V125-A129 HydrophobicContact CG1-CB 4.17Å; V125-L130 HydrophobicContact CB-CD1 4.31Å; V125-L130 HydrophobicContact CB-CD2 3.99Å; V125-L130 HydrophobicContact CB-CG 4.03Å; V125-L130 HydrophobicContact CG1-CD2 3.81Å; V125-L130 HydrophobicContact CG1-CG 3.79Å; V125-V170 HydrophobicContact CG2-CB 4.41Å; V125-V170 VanDerWaalsContact CG2-O 3.32Å; V125-V170 WeakPolarHBondContact CG2-O 3.24Å; V125-L218 HydrophobicContact CG1-CB 4.03Å; V125-L218 HydrophobicContact CG1-CD1 4.31Å; V125-L218 HydrophobicContact CG1-CD2 4.31Å; V125-L218 HydrophobicContact CG1-CG 4.46Å; V125-L218 HydrophobicContact CG2-CB 4.27Å; V125-L218 WeakPolarHBondContact CG2-O 3.3Å
126P91.2Very high86.7Confident84 Ų8465.1 Ų65.155%0.54533%0.329SS..PPolyproline II helixtrans-56.6133.3177.2-26.334.4000112.2A128 A129 L130P126-A128 PolarHBondContact O-N 3.29Å; P126-A128 VanDerWaalsContact O-N 3.1Å; P126-A129 WeakPolarHBondContact O-CA 3.09Å; P126-A129 WeakPolarHBondContact O-CB 3.06Å; P126-A129 PolarHBondContact O-N 3.27Å; P126-L130 PolarHBondContact O-N 2.98Å; P126-L130 VanDerWaalsContact O-N 3.16Å
127K87.8Confident86.2Confident168 Ų16866.9 Ų66.973%0.7334%0.341SS*.Hα-helixtrans-51.7-39.5-178.5-66.8-175.4178.8179.60112.8V125 A129 L130 H131V125-K127 PolarHBondContact O-N 2.87Å; K127-A129 VanDerWaalsContact C-N 3.28Å; K127-A129 PolarHBondContact O-N 3.23Å; K127-L130 PolarHBondContact O-N 3.13Å; K127-H131 PolarHBondContact O-CD2 3.16Å; K127-H131 PolarHBondContact O-N 2.8Å
128A89.1Confident85.2Confident58 Ų5871.5 Ų71.548%0.47937%0.372SS..Hα-helixtrans-62.9-31.1177.600000113.8P126 R132P126-A128 PolarHBondContact O-N 3.29Å; P126-A128 VanDerWaalsContact O-N 3.1Å; A128-R132 WeakPolarHBondContact O-CG 3.17Å; A128-R132 PolarHBondContact O-N 3.29Å; A128-R132 PolarHBondContact O-NE 3.08Å
129A85.9Confident84.3Confident26 Ų2681.3 Ų81.322%0.21541%0.409CS..Hα-helixtrans-76.8-39.417500000111.3V125 P126 K127 R132 H133 L218V125-A129 HydrophobicContact CG1-CB 4.17Å; P126-A129 WeakPolarHBondContact O-CA 3.09Å; P126-A129 WeakPolarHBondContact O-CB 3.06Å; P126-A129 PolarHBondContact O-N 3.27Å; K127-A129 VanDerWaalsContact C-N 3.28Å; K127-A129 PolarHBondContact O-N 3.23Å; A129-R132 PolarHBondContact O-N 2.79Å; A129-H133 WeakPolarHBondContact O-CB 2.95Å; A129-H133 PolarHBondContact O-N 3.17Å; A129-L218 HydrophobicContact CB-CD2 4.02Å
130L85.7Confident83.6Confident34 Ų3479.3 Ų79.318%0.17841%0.405CS..Hα-helixtrans-60.1-46.7173.1-68.1172.6000111.7V125 P126 K127 R132 H133 G134 V170V125-L130 HydrophobicContact CB-CD1 4.31Å; V125-L130 HydrophobicContact CB-CD2 3.99Å; V125-L130 HydrophobicContact CB-CG 4.03Å; V125-L130 HydrophobicContact CG1-CD2 3.81Å; V125-L130 HydrophobicContact CG1-CG 3.79Å; P126-L130 PolarHBondContact O-N 2.98Å; P126-L130 VanDerWaalsContact O-N 3.16Å; K127-L130 PolarHBondContact O-N 3.13Å; L130-R132 VanDerWaalsContact C-N 3.3Å; L130-R132 PolarHBondContact O-N 2.86Å; L130-H133 PolarHBondContact O-N 3.08Å; L130-G134 PolarHBondContact O-N 3.09Å; L130-V170 HydrophobicContact CD2-CB 4.13Å; L130-V170 HydrophobicContact CD2-CG2 3.66Å
131H86Confident83.4Confident120 Ų12080.2 Ų80.256%0.55641%0.413SS*.Hα-helixtrans-64.8-31.4176.9-69.8-59.3000113.6K127 R135K127-H131 PolarHBondContact O-CD2 3.16Å; K127-H131 PolarHBondContact O-N 2.8Å; H131-R135 WeakPolarHBondContact O-CG 3.02Å; H131-R135 PolarHBondContact O-N 3.39Å; H131-R135 PolarHBondContact O-NE 2.84Å
132R84.9Confident83.4Confident162 Ų16283.4 Ų83.461%0.61142%0.423SS*.Hα-helixtrans-70.8-44.7173.7-82.9-174.1-103.1-168.7-7.4111.1A128 A129 L130 R135 L136A128-R132 WeakPolarHBondContact O-CG 3.17Å; A128-R132 PolarHBondContact O-N 3.29Å; A128-R132 PolarHBondContact O-NE 3.08Å; A129-R132 PolarHBondContact O-N 2.79Å; L130-R132 VanDerWaalsContact C-N 3.3Å; L130-R132 PolarHBondContact O-N 2.86Å; R132-R135 PolarHBondContact O-N 2.86Å; R132-L136 WeakPolarHBondContact O-CG 3.03Å; R132-L136 PolarHBondContact O-N 2.86Å
133H83.3Confident83.4Confident19 Ų1983.4 Ų83.49%0.08842%0.423CS..Hα-helixtrans-64.1-45.3177.9173.8-81.7000112.3A129 L130 R135 L136 S137 S140 S213 A215 L218A129-H133 WeakPolarHBondContact O-CB 2.95Å; A129-H133 PolarHBondContact O-N 3.17Å; L130-H133 PolarHBondContact O-N 3.08Å; H133-R135 PolarHBondContact O-N 2.86Å; H133-L136 PolarHBondContact O-N 2.96Å; H133-S137 PolarHBondContact CE1-O 2.8Å; H133-S137 PolarHBondContact O-N 3.28Å; H133-S140 PolarHBondContact CE1-O 3.26Å; H133-S140 VanDerWaalsContact CE1-O 3.28Å; H133-S213 PolarHBondContact CE1-OG 2.86Å; H133-S213 PolarHBondContact NE2-OG 3.46Å; H133-A215 PolarHBondContact NE2-N 3.3Å; H133-L218 HydrophobicContact CB-CD1 3.71Å
134G81.9Confident83.5Confident39 Ų3984.5 Ų84.540%0.40242%0.424SS..Hα-helixtrans-58.6-31.1177.200000113.6L130L130-G134 PolarHBondContact O-N 3.09Å
135R81.8Confident83.6Confident197 Ų19780.3 Ų80.374%0.74340%0.397SS*.Hα-helixtrans-73.5-37.7173.1-76.6-173.8-87.4-153.8-0.1113.3H131 R132 H133H131-R135 WeakPolarHBondContact O-CG 3.02Å; H131-R135 PolarHBondContact O-N 3.39Å; H131-R135 PolarHBondContact O-NE 2.84Å; R132-R135 PolarHBondContact O-N 2.86Å; H133-R135 PolarHBondContact O-N 2.86Å
136L78.4Confident83.8Confident143 Ų14379.8 Ų79.875%0.74939%0.394SS*.Hα-helixtrans-86.6-26.1-175.9-67.7170000113.5R132 H133R132-L136 WeakPolarHBondContact O-CG 3.03Å; R132-L136 PolarHBondContact O-N 2.86Å; H133-L136 PolarHBondContact O-N 2.96Å
137S72Confident83.8Confident36 Ų3675.8 Ų75.825%0.25237%0.368SS..  trans-15370-171.5-66.70000111.3H133 R139H133-S137 PolarHBondContact CE1-O 2.8Å; H133-S137 PolarHBondContact O-N 3.28Å; S137-R139 PolarHBondContact O-N 3.22Å
138P68.2Low83.8Confident108 Ų10869.5 Ų69.570%0.70134%0.341SS*.THydrogen-bonded Turntrans-69.5-15-175.627.7-35.2000113.9
139R69.5Low83.8Confident205 Ų20567 Ų6777%0.77432%0.32SS*.THydrogen-bonded Turntrans-81.2-25.9-168.4-68.7-176175.8166.7-1.1114.6S137S137-R139 PolarHBondContact O-N 3.22Å
140S75.2Confident83.8Confident25 Ų2566.5 Ų66.518%0.17531%0.313CS..  trans-154135.8173.7101.90000112.6H133 E206 S213H133-S140 PolarHBondContact CE1-O 3.26Å; H133-S140 VanDerWaalsContact CE1-O 3.28Å; S140-E206 WeakPolarHBondContact CB-OE2 3.36Å; S140-E206 PolarHBondContact OG-OE2 3.38Å; S140-S213 WeakPolarHBondContact O-CB 3.37Å; S140-S213 PolarHBondContact O-OG 3.38Å; S140-S213 WeakPolarHBondContact OG-CB 3.36Å
141A84.4Confident83.6Confident23 Ų2368 Ų6819%0.1932%0.316CS..  trans-117.725.5-179.800000111.3V170 H171A141-V170 HydrophobicContact CB-CG2 3.91Å; A141-V170 WeakPolarHBondContact O-CG2 3.5Å; A141-V170 PolarHBondContact O-N 3.03Å; A141-H171 WeakPolarHBondContact CB-CE1 3.3Å
142R88.6Confident83.2Confident125 Ų12566 Ų6647%0.47231%0.313SS..EExtended strand (participates in β ladder)trans-112.8148-177.2-61.2-173.2-67-161-0.5110.4V168 E206R142-V168 CarbonylContact C-O 3.53Å; R142-V168 VanDerWaalsContact CA-O 3.23Å; R142-V168 WeakPolarHBondContact CA-O 3.1Å; R142-E206 IonicContact CZ-OE1 2.84Å; R142-E206 VanDerWaalsContact CZ-OE1 3.25Å; R142-E206 IonicContact NE-OE1 2.7Å; R142-E206 PolarHBondContact NE-OE1 3.11Å; R142-E206 VanDerWaalsContact NE-OE1 3.07Å; R142-E206 IonicContact NE-OE2 3.61Å; R142-E206 IonicContact NH2-OE1 3.26Å; R142-E206 PolarHBondContact NH2-OE1 3.22Å
143A89.8Confident82.6Confident0 Ų063.8 Ų63.80%030%0.304CS..EExtended strand (participates in β ladder)trans-121.7149.4170.200000109L167 V168 V203 H216 V219A143-L167 CarbonylContact O-C 3.54Å; A143-L167 WeakPolarHBondContact O-CA 3.25Å; A143-V168 HydrophobicContact CB-CG2 4.32Å; A143-V168 PolarHBondContact N-O 3.02Å; A143-V168 PolarHBondContact O-N 3.32Å; A143-V203 HydrophobicContact CB-CG1 3.96Å; A143-H216 HydrophobicContact CB-CB 4.02Å; A143-V219 HydrophobicContact CB-CB 4.5Å; A143-V219 HydrophobicContact CB-CG2 3.71Å
144R91.6Very high81.9Confident94 Ų9471.5 Ų71.536%0.35535%0.346SS..EExtended strand (participates in β ladder)trans-92.5123173.3-177.2179.3-69.4-98.23.1108.4T146 S165 R166 L167 V203 Q204R144-T146 HydrophobicContact CG-CG2 4.08Å; R144-S165 WeakPolarHBondContact CD-OG 3.4Å; R144-S165 WeakPolarHBondContact CG-OG 3.02Å; R144-S165 PolarHBondContact NH1-OG 3.22Å; R144-R166 WeakPolarHBondContact CA-O 3.34Å; R144-L167 HydrophobicContact CB-CD2 3.86Å; R144-L167 HydrophobicContact CG-CD2 4.37Å; R144-V203 CarbonylContact O-C 3.55Å; R144-Q204 HydrophobicContact CB-CB 4.49Å; R144-Q204 PolarHBondContact N-O 2.03Å; R144-Q204 PolarHBondContact O-N 3.45Å
145V92.4Very high81.2Confident0 Ų075.1 Ų75.10%036%0.356CS..EExtended strand (participates in β ladder)trans-102.8124171.7-176.30000107.2S165 R166 V168 F178 V201 S202 V203 F221V145-S165 CarbonylContact O-C 3.51Å; V145-S165 WeakPolarHBondContact O-CA 3.49Å; V145-R166 PolarHBondContact N-O 3.02Å; V145-R166 PolarHBondContact O-N 3.01Å; V145-V168 HydrophobicContact CG2-CB 4.47Å; V145-V168 HydrophobicContact CG2-CG1 4.01Å; V145-V168 HydrophobicContact CG2-CG2 3.6Å; V145-F178 HydrophobicContact CB-CE1 4Å; V145-F178 HydrophobicContact CB-CZ 3.84Å; V145-F178 HydrophobicContact CG1-CE1 3.84Å; V145-F178 HydrophobicContact CG1-CE2 4.36Å; V145-F178 HydrophobicContact CG1-CZ 3.51Å; V145-V201 HydrophobicContact CG1-CG1 3.76Å; V145-S202 WeakPolarHBondContact CA-O 3.36Å; V145-V203 HydrophobicContact CG2-CG2 4.46Å; V145-F221 HydrophobicContact CG1-CE2 4.11Å; V145-F221 HydrophobicContact CG1-CZ 4.27Å; V145-F221 HydrophobicContact CG2-CE2 4.02Å; V145-F221 HydrophobicContact CG2-CZ 3.95Å
146T91.8Very high80.6Confident9 Ų968.4 Ų68.46%0.05535%0.348CS..EExtended strand (participates in β ladder)trans-112.8136.7176620000109.4R144 L162 D164 V201 S202R144-T146 HydrophobicContact CG-CG2 4.08Å; T146-L162 HydrophobicContact CG2-CD1 4.42Å; T146-D164 WeakPolarHBondContact CA-O 3.46Å; T146-V201 CarbonylContact O-C 3.59Å; T146-V201 WeakPolarHBondContact O-CA 3.34Å; T146-S202 PolarHBondContact N-O 3.39Å; T146-S202 PolarHBondContact O-N 3.38Å; T146-S202 PolarHBondContact OG1-O 3.31Å; T146-S202 PolarHBondContact OG1-OG 2.88Å
147V91.4Very high80.4Confident0 Ų063.7 Ų63.70%033%0.327CS..EExtended strand (participates in β ladder)trans-112.4122.8172.1-174.70000107.5L118 I163 D164 F178 V180 L199 Q200 V201L118-V147 HydrophobicContact CD2-CG1 4.11Å; L118-V147 HydrophobicContact CD2-CG2 4.33Å; V147-I163 WeakPolarHBondContact O-CB 3.31Å; V147-I163 PolarHBondContact O-N 3.36Å; V147-D164 PolarHBondContact N-O 2.93Å; V147-D164 PolarHBondContact O-N 3.32Å; V147-F178 HydrophobicContact CG2-CB 3.99Å; V147-F178 HydrophobicContact CG2-CD1 3.72Å; V147-F178 HydrophobicContact CG2-CD2 4.39Å; V147-F178 HydrophobicContact CG2-CE1 4.29Å; V147-F178 HydrophobicContact CG2-CG 3.77Å; V147-V180 HydrophobicContact CG1-CG1 3.92Å; V147-L199 HydrophobicContact CG1-CB 4.5Å; V147-Q200 WeakPolarHBondContact CA-O 3.5Å; V147-V201 HydrophobicContact CG2-CG2 4.38Å
148E88.4Confident80.8Confident36 Ų3667.1 Ų67.117%0.16834%0.343CS..EExtended strand (participates in β ladder)trans-122.3138.7-179.3-58.2177.2109.200109.7S161 L162 L199 Q200E148-S161 CarbonylContact C-O 3.59Å; E148-S161 VanDerWaalsContact CA-O 3.23Å; E148-S161 WeakPolarHBondContact CA-O 3.37Å; E148-L162 HydrophobicContact CG-CD1 4.19Å; E148-L199 CarbonylContact O-C 3.57Å; E148-L199 WeakPolarHBondContact O-CA 3.14Å; E148-Q200 HydrophobicContact CB-CB 4.41Å; E148-Q200 PolarHBondContact N-O 3.49Å; E148-Q200 PolarHBondContact O-N 2.93Å; E148-Q200 PolarHBondContact OE2-NE2 2.93Å
149W88.3Confident81.5Confident7 Ų767.9 Ų67.93%0.02733%0.332CS..EExtended strand (participates in β ladder)trans-82.4123.8169.2176.542.3000109.7R151 T160 S161 I163 A183 F186 W187 L190 L198 L199W149-R151 VanDerWaalsContact CH2-NH2 3.25Å; W149-T160 CarbonylContact O-C 3.55Å; W149-T160 VanDerWaalsContact O-CA 3.31Å; W149-T160 WeakPolarHBondContact O-CA 3.49Å; W149-S161 PolarHBondContact N-O 2.03Å; W149-S161 PolarHBondContact O-N 3.19Å; W149-I163 HydrophobicContact CB-CD1 3.85Å; W149-I163 HydrophobicContact CB-CG1 3.81Å; W149-A183 HydrophobicContact CB-CB 4.04Å; W149-A183 HydrophobicContact CG-CB 4.24Å; W149-F186 HydrophobicContact CE3-CB 4.04Å; W149-F186 HydrophobicContact CH2-CB 3.59Å; W149-F186 HydrophobicContact CZ3-CB 3.28Å; W149-F186 HydrophobicContact CZ3-CD2 4.31Å; W149-F186 HydrophobicContact CZ3-CG 4Å; W149-W187 HydrophobicContact CZ2-CB 4.37Å; W149-L190 HydrophobicContact CZ2-CD1 4.12Å; W149-L198 VanDerWaalsContact CD1-O 3.31Å; W149-L199 HydrophobicContact CB-CD2 4.38Å
150L85.6Confident82.1Confident14 Ų1461 Ų617%0.07331%0.313CS..EExtended strand (participates in β ladder)trans-99.1126.1179.3-178.769.4000110.1L98 N158 T160 L198L98-L150 HydrophobicContact CD1-CD2 3.74Å; L150-N158 HydrophobicContact CD1-CB 3.94Å; L150-T160 HydrophobicContact CD1-CG2 3.61Å; L150-L198 HydrophobicContact CB-CB 3.96Å; L150-L198 HydrophobicContact CD2-CB 4.5Å; L150-L198 HydrophobicContact CD2-CD1 4.33Å; L150-L198 PolarHBondContact N-O 3.34Å
151R81.7Confident82.6Confident65 Ų6561.5 Ų61.525%0.24532%0.316CS..EExtended strand (participates in β ladder)trans-116.6118.7173.1-167.3-174-49.315412109.7W149 R159W149-R151 VanDerWaalsContact CH2-NH2 3.25Å; R151-R159 PolarHBondContact N-O 3.09Å; R151-R159 PolarHBondContact O-N 3.05Å
152V77.9Confident82.7Confident80 Ų8065.4 Ų65.449%0.48533%0.333SS..EExtended strand (participates in β ladder)trans-86.7120.3168.8-170.80000107.1L198V152-L198 HydrophobicContact CG2-CD1 3.89Å
153R71.9Confident82.7Confident114 Ų11460.8 Ų60.843%0.4332%0.318SS..  trans-85.6163.6174.9-75.5-179.3169.8179.1-3.7110.6D155 G156 S157R153-D155 WeakPolarHBondContact CB-OD1 3.2Å; R153-D155 PolarHBondContact O-N 2.9Å; R153-G156 PolarHBondContact O-N 2.89Å; R153-S157 WeakPolarHBondContact CD-OG 3.32Å; R153-S157 PolarHBondContact N-O 3.38Å
154D68.6Low82.6Confident182 Ų18262.1 Ų62.197%0.97332%0.324SS*.THydrogen-bonded Turntrans-63.7-21.9179.7-57-44.9000113G156D154-G156 PolarHBondContact O-N 3.2Å
155D68.6Low82.4Confident114 Ų11459.5 Ų59.561%0.6132%0.321SS*.THydrogen-bonded Turntrans-79.11.3173.463.81.5000113.5R153 S157R153-D155 WeakPolarHBondContact CB-OD1 3.2Å; R153-D155 PolarHBondContact O-N 2.9Å; D155-S157 PolarHBondContact O-N 3.45Å; D155-S157 VanDerWaalsContact OD1-CB 3.25Å; D155-S157 WeakPolarHBondContact OD1-CB 3.13Å; D155-S157 PolarHBondContact OD1-N 2.7Å; D155-S157 PolarHBondContact OD1-OG 2.98Å; D155-S157 PolarHBondContact OD2-OG 3.36Å; D155-S157 VanDerWaalsContact OD2-OG 3.1Å
156G67.7Low82.2Confident56 Ų5664.5 Ų64.558%0.57734%0.339SS*.SBendtrans76.82.7-17600000114.1R153 D154R153-G156 PolarHBondContact O-N 2.89Å; D154-G156 PolarHBondContact O-N 3.2Å
157S74.6Confident82.1Confident44 Ų4467.6 Ų67.631%0.30836%0.355SS..  trans-79.2139.1175.972.60000111.4R153 D155R153-S157 WeakPolarHBondContact CD-OG 3.32Å; R153-S157 PolarHBondContact N-O 3.38Å; D155-S157 PolarHBondContact O-N 3.45Å; D155-S157 VanDerWaalsContact OD1-CB 3.25Å; D155-S157 WeakPolarHBondContact OD1-CB 3.13Å; D155-S157 PolarHBondContact OD1-N 2.7Å; D155-S157 PolarHBondContact OD1-OG 2.98Å; D155-S157 PolarHBondContact OD2-OG 3.36Å; D155-S157 VanDerWaalsContact OD2-OG 3.1Å
158N80.8Confident82.1Confident108 Ų10868 Ų6858%0.57836%0.358SS*.EExtended strand (participates in β ladder)trans-97.1125178.3-73.1-16.3000109.7L150L150-N158 HydrophobicContact CD1-CB 3.94Å
159R82.3Confident82.1Confident124 Ų12467.5 Ų67.547%0.46836%0.358SS..EExtended strand (participates in β ladder)trans-112.4120.1170.6-173.8176.3177.9-177.2-0.9109.4R151R151-R159 PolarHBondContact N-O 3.09Å; R151-R159 PolarHBondContact O-N 3.05Å
160T82.4Confident82.2Confident61 Ų6167.2 Ų67.237%0.37436%0.357SS..EExtended strand (participates in β ladder)trans-94.8151.7171.5530000110.8W149 L150W149-T160 CarbonylContact O-C 3.55Å; W149-T160 VanDerWaalsContact O-CA 3.31Å; W149-T160 WeakPolarHBondContact O-CA 3.49Å; L150-T160 HydrophobicContact CD1-CG2 3.61Å
161S84.8Confident82.3Confident35 Ų3572.4 Ų72.425%0.24538%0.381CS..EExtended strand (participates in β ladder)trans-138.6122.7173.5-61.80000108.3E148 W149 I163E148-S161 CarbonylContact C-O 3.59Å; E148-S161 VanDerWaalsContact CA-O 3.23Å; E148-S161 WeakPolarHBondContact CA-O 3.37Å; W149-S161 PolarHBondContact N-O 2.03Å; W149-S161 PolarHBondContact O-N 3.19Å; S161-I163 WeakPolarHBondContact O-CG1 3.35Å; S161-I163 PolarHBondContact O-N 3.14Å
162L86.7Confident82.6Confident106 Ų10674.1 Ų74.156%0.55539%0.392SS*.EExtended strand (participates in β ladder)trans-65.8129.9179-178.767.5000110T146 E148T146-L162 HydrophobicContact CG2-CD1 4.42Å; E148-L162 HydrophobicContact CG-CD1 4.19Å
163I88.8Confident83.1Confident28 Ų2873.7 Ų73.714%0.14439%0.392CS..EExtended strand (participates in β ladder)trans-112.2-51.8-177.5-56.4-61.8000110.7V147 W149 S161 D179 V180 A183V147-I163 WeakPolarHBondContact O-CB 3.31Å; V147-I163 PolarHBondContact O-N 3.36Å; W149-I163 HydrophobicContact CB-CD1 3.85Å; W149-I163 HydrophobicContact CB-CG1 3.81Å; S161-I163 WeakPolarHBondContact O-CG1 3.35Å; S161-I163 PolarHBondContact O-N 3.14Å; I163-D179 WeakPolarHBondContact CG2-O 3.5Å; I163-V180 HydrophobicContact CG2-CB 4.35Å; I163-V180 HydrophobicContact CG2-CG1 4.28Å; I163-A183 HydrophobicContact CD1-CB 3.84Å; I163-A183 HydrophobicContact CG1-CB 3.95Å; I163-A183 HydrophobicContact CG2-CB 4.29Å
164D87.8Confident83.9Confident27 Ų2769 Ų6914%0.14438%0.38CS..EExtended strand (participates in β ladder)trans-143.7149.7178.4-164.3-4.9000110.3T146 V147 R166 F178 D179T146-D164 WeakPolarHBondContact CA-O 3.46Å; V147-D164 PolarHBondContact N-O 2.93Å; V147-D164 PolarHBondContact O-N 3.32Å; D164-R166 IonicContact OD1-NE 3.77Å; D164-R166 PolarHBondContact OD1-NE 3.04Å; D164-R166 IonicContact OD2-CZ 3.78Å; D164-R166 VanDerWaalsContact OD2-CZ 3.26Å; D164-R166 IonicContact OD2-NE 2.7Å; D164-R166 PolarHBondContact OD2-NE 2.96Å; D164-R166 IonicContact OD2-NH2 3.78Å; D164-R166 PolarHBondContact OD2-NH2 2.87Å; D164-F178 HydrophobicContact CB-CD1 4.49Å; D164-F178 WeakPolarHBondContact OD2-CA 3.39Å; D164-D179 PolarHBondContact OD2-N 2.82Å
165S88.9Confident84.8Confident39 Ų3964.9 Ų64.927%0.27335%0.35SS..EExtended strand (participates in β ladder)trans-144123174.6-176.60000110.7R144 V145R144-S165 WeakPolarHBondContact CD-OG 3.4Å; R144-S165 WeakPolarHBondContact CG-OG 3.02Å; R144-S165 PolarHBondContact NH1-OG 3.22Å; V145-S165 CarbonylContact O-C 3.51Å; V145-S165 WeakPolarHBondContact O-CA 3.49Å
166R87.8Confident85.7Confident105 Ų10561.1 Ų61.140%0.39633%0.329SS..EExtended strand (participates in β ladder)trans-132.6149.5-177.5-57.6-175-176.7-158.2-7112R144 V145 D164 V177 F178R144-R166 WeakPolarHBondContact CA-O 3.34Å; V145-R166 PolarHBondContact N-O 3.02Å; V145-R166 PolarHBondContact O-N 3.01Å; D164-R166 IonicContact OD1-NE 3.77Å; D164-R166 PolarHBondContact OD1-NE 3.04Å; D164-R166 IonicContact OD2-CZ 3.78Å; D164-R166 VanDerWaalsContact OD2-CZ 3.26Å; D164-R166 IonicContact OD2-NE 2.7Å; D164-R166 PolarHBondContact OD2-NE 2.96Å; D164-R166 IonicContact OD2-NH2 3.78Å; D164-R166 PolarHBondContact OD2-NH2 2.87Å; R166-V177 VanDerWaalsContact CZ-O 3.24Å; R166-V177 PolarHBondContact NH1-O 3.37Å; R166-F178 HydrophobicContact CB-CE1 3.97Å; R166-F178 HydrophobicContact CG-CD1 4.16Å; R166-F178 HydrophobicContact CG-CE1 4.04Å
167L88.9Confident86.7Confident74 Ų7461.5 Ų61.539%0.38732%0.32SS..EExtended strand (participates in β ladder)trans-89.7127.4169.7-66.4178000109.5A143 R144 E206A143-L167 CarbonylContact O-C 3.54Å; A143-L167 WeakPolarHBondContact O-CA 3.25Å; R144-L167 HydrophobicContact CB-CD2 3.86Å; R144-L167 HydrophobicContact CG-CD2 4.37Å; L167-E206 HydrophobicContact CD1-CG 4.31Å; L167-E206 HydrophobicContact CD2-CB 4.36Å; L167-E206 HydrophobicContact CD2-CG 3.85Å
168V91.1Very high87.3Confident8 Ų859.5 Ų59.55%0.04831%0.306CS..EExtended strand (participates in β ladder)trans-117.3143.8176.3-570000110.2R142 A143 V145 K176 V219R142-V168 CarbonylContact C-O 3.53Å; R142-V168 VanDerWaalsContact CA-O 3.23Å; R142-V168 WeakPolarHBondContact CA-O 3.1Å; A143-V168 HydrophobicContact CB-CG2 4.32Å; A143-V168 PolarHBondContact N-O 3.02Å; A143-V168 PolarHBondContact O-N 3.32Å; V145-V168 HydrophobicContact CG2-CB 4.47Å; V145-V168 HydrophobicContact CG2-CG1 4.01Å; V145-V168 HydrophobicContact CG2-CG2 3.6Å; V168-K176 HydrophobicContact CG1-CD 4.45Å; V168-K176 HydrophobicContact CG1-CG 4.38Å; V168-V219 HydrophobicContact CG2-CG1 4.09Å; V168-V219 HydrophobicContact CG2-CG2 4.16Å
169S89.6Confident87.4Confident26 Ų2655.7 Ų55.718%0.18229%0.285CS..EExtended strand (participates in β ladder)trans-87.1139.3176.9-178.90000111Q122 H171 E172Q122-S169 PolarHBondContact NE2-O 2.03Å; S169-H171 PolarHBondContact O-N 2.92Å; S169-H171 PolarHBondContact OG-N 3.47Å; S169-E172 PolarHBondContact O-N 3.44Å
170V89.3Confident87.7Confident1 Ų149.8 Ų49.81%0.00626%0.263CS..THydrogen-bonded Turntrans-70.6-15.8172.4-60.20000113.2V125 L130 A141 E172 A215 L218 V219V125-V170 HydrophobicContact CG2-CB 4.41Å; V125-V170 VanDerWaalsContact CG2-O 3.32Å; V125-V170 WeakPolarHBondContact CG2-O 3.24Å; L130-V170 HydrophobicContact CD2-CB 4.13Å; L130-V170 HydrophobicContact CD2-CG2 3.66Å; A141-V170 HydrophobicContact CB-CG2 3.91Å; A141-V170 WeakPolarHBondContact O-CG2 3.5Å; A141-V170 PolarHBondContact O-N 3.03Å; V170-E172 VanDerWaalsContact C-N 3.34Å; V170-A215 HydrophobicContact CG1-CB 3.8Å; V170-A215 WeakPolarHBondContact CG1-O 3.45Å; V170-L218 HydrophobicContact CG1-CB 4.09Å; V170-V219 HydrophobicContact CG1-CG2 3.74Å
171H87.6Confident87.7Confident124 Ų12447.6 Ų47.657%0.57425%0.249SC*.THydrogen-bonded Turntrans-83.2-15.5-179.1-62.293.7000112.9A141 S169A141-H171 WeakPolarHBondContact CB-CE1 3.3Å; S169-H171 PolarHBondContact O-N 2.92Å; S169-H171 PolarHBondContact OG-N 3.47Å
172E87.4Confident87.6Confident101 Ų10151 Ų5147%0.47226%0.262SS..  trans-98153.5179.3-66.5172-16600110.1Q122 S169 V170 K176Q122-E172 PolarHBondContact NE2-O 3.24Å; S169-E172 PolarHBondContact O-N 3.44Å; V170-E172 VanDerWaalsContact C-N 3.34Å; E172-K176 IonicContact OE2-NZ 3.43Å; E172-K176 PolarHBondContact OE2-NZ 3.4Å
173S88.7Confident87.6Confident71 Ų7146 Ų4650%0.49724%0.235SC..  trans-134.8165.6169.159.90000108.8Q122Q122-S173 WeakPolarHBondContact O-CB 3.08Å
174G88.8Confident87.4Confident16 Ų1644.7 Ų44.717%0.16523%0.228CC..EExtended strand (participates in β ladder)trans115.7-169.8179.600000114Q122 K176Q122-G174 PolarHBondContact N-O 2.76Å; Q122-G174 PolarHBondContact O-N 3.31Å; G174-K176 PolarHBondContact O-N 3.45Å
175W88.3Confident87.1Confident94 Ų9446.2 Ų46.236%0.35624%0.237SC..EExtended strand (participates in β ladder)trans-70122.9-175.8-67.9105.1000112.1R119 F121R119-W175 HydrophobicContact CB-CE3 3.86Å; R119-W175 HydrophobicContact CB-CZ3 4.07Å; F121-W175 HydrophobicContact CB-CD2 4.19Å; F121-W175 HydrophobicContact CB-CE3 3.88Å; F121-W175 HydrophobicContact CB-CH2 4.1Å; F121-W175 HydrophobicContact CB-CZ2 4.36Å; F121-W175 HydrophobicContact CB-CZ3 3.85Å; F121-W175 AromaticContact CD2-CD2 3.92Å; F121-W175 HydrophobicContact CD2-CD2 3.92Å; F121-W175 AromaticContact CD2-CE2 3.8Å; F121-W175 HydrophobicContact CD2-CE3 4.47Å; F121-W175 HydrophobicContact CD2-CG 4.15Å; F121-W175 HydrophobicContact CD2-CZ2 4.28Å; F121-W175 AromaticContact CD2-NE1 3.9Å
176K88.2Confident86.8Confident35 Ų3548.8 Ų48.815%0.15224%0.243CC..EExtended strand (participates in β ladder)trans-104.8134.4168.5-56.6-52.7-172.2-172.70108.2R119 L120 Q122 V168 E172 G174 F178 F221R119-K176 WeakPolarHBondContact CA-O 3.46Å; L120-K176 PolarHBondContact N-O 2.99Å; L120-K176 PolarHBondContact O-N 2.98Å; Q122-K176 HydrophobicContact CB-CG 4.15Å; V168-K176 HydrophobicContact CG1-CD 4.45Å; V168-K176 HydrophobicContact CG1-CG 4.38Å; E172-K176 IonicContact OE2-NZ 3.43Å; E172-K176 PolarHBondContact OE2-NZ 3.4Å; G174-K176 PolarHBondContact O-N 3.45Å; K176-F178 HydrophobicContact CB-CE2 3.85Å; K176-F178 HydrophobicContact CB-CZ 4.32Å; K176-F221 HydrophobicContact CB-CE1 4.29Å; K176-F221 HydrophobicContact CG-CE1 4.16Å
177V88.1Confident86.6Confident65 Ų6544.2 Ų44.239%0.39423%0.226SC..EExtended strand (participates in β ladder)trans-115.4134.2-171.4-174.40000108.3V117 L118 R119 R166V117-V177 HydrophobicContact CG1-CB 4.5Å; V117-V177 HydrophobicContact CG1-CG1 3.14Å; L118-V177 CarbonylContact O-C 3.57Å; L118-V177 WeakPolarHBondContact O-CA 3.49Å; R119-V177 HydrophobicContact CG-CG2 4.47Å; R166-V177 VanDerWaalsContact CZ-O 3.24Å; R166-V177 PolarHBondContact NH1-O 3.37Å
178F88Confident86.2Confident2 Ų243.8 Ų43.81%0.00922%0.222CC..EExtended strand (participates in β ladder)trans-129.8136.8179.6-61.4-90.7000109.7L118 L120 V145 V147 D164 R166 K176L118-F178 HydrophobicContact CB-CB 4.31Å; L118-F178 PolarHBondContact N-O 3.01Å; L118-F178 PolarHBondContact O-N 3.16Å; L120-F178 HydrophobicContact CB-CE2 4.47Å; L120-F178 HydrophobicContact CD1-CD2 4.1Å; L120-F178 HydrophobicContact CD1-CE2 3.81Å; L120-F178 HydrophobicContact CG-CD2 4.34Å; L120-F178 HydrophobicContact CG-CE2 4.27Å; V145-F178 HydrophobicContact CB-CE1 4Å; V145-F178 HydrophobicContact CB-CZ 3.84Å; V145-F178 HydrophobicContact CG1-CE1 3.84Å; V145-F178 HydrophobicContact CG1-CE2 4.36Å; V145-F178 HydrophobicContact CG1-CZ 3.51Å; V147-F178 HydrophobicContact CG2-CB 3.99Å; V147-F178 HydrophobicContact CG2-CD1 3.72Å; V147-F178 HydrophobicContact CG2-CD2 4.39Å; V147-F178 HydrophobicContact CG2-CE1 4.29Å; V147-F178 HydrophobicContact CG2-CG 3.77Å; D164-F178 HydrophobicContact CB-CD1 4.49Å; D164-F178 WeakPolarHBondContact OD2-CA 3.39Å; R166-F178 HydrophobicContact CB-CE1 3.97Å; R166-F178 HydrophobicContact CG-CD1 4.16Å; R166-F178 HydrophobicContact CG-CE1 4.04Å; K176-F178 HydrophobicContact CB-CE2 3.85Å; K176-F178 HydrophobicContact CB-CZ 4.32Å
179D82.6Confident85.6Confident27 Ų2747.9 Ų47.914%0.14424%0.241CC..EExtended strand (participates in β ladder)trans-81.9122.2176.3-166-31.8000108.9I163 D164 T181 W308I163-D179 WeakPolarHBondContact CG2-O 3.5Å; D164-D179 PolarHBondContact OD2-N 2.82Å; D179-T181 WeakPolarHBondContact OD1-CB 3.42Å; D179-T181 PolarHBondContact OD1-N 2.84Å; D179-T181 PolarHBondContact OD1-OG1 3.12Å; D179-W308 WeakPolarHBondContact OD2-CZ2 3.32Å
180V87.2Confident84.9Confident0 Ų048.9 Ų48.90%024%0.243CC..  trans-124.320179.2-61.70000112A116 L118 V147 I163 E182 A183 V184 L199 L235A116-V180 HydrophobicContact CB-CG2 3.97Å; A116-V180 WeakPolarHBondContact O-CG2 3.45Å; A116-V180 PolarHBondContact O-N 2.96Å; L118-V180 HydrophobicContact CB-CG1 3.86Å; L118-V180 HydrophobicContact CB-CG2 4.08Å; L118-V180 HydrophobicContact CD2-CG1 4.5Å; V147-V180 HydrophobicContact CG1-CG1 3.92Å; I163-V180 HydrophobicContact CG2-CB 4.35Å; I163-V180 HydrophobicContact CG2-CG1 4.28Å; V180-E182 VanDerWaalsContact C-N 3.3Å; V180-E182 PolarHBondContact O-N 2.96Å; V180-A183 HydrophobicContact CB-CB 4.46Å; V180-A183 WeakPolarHBondContact O-CB 3.06Å; V180-A183 PolarHBondContact O-N 3.32Å; V180-A183 VanDerWaalsContact O-N 3.12Å; V180-V184 PolarHBondContact O-N 3.29Å; V180-L199 HydrophobicContact CB-CD1 4.34Å; V180-L199 HydrophobicContact CG1-CD1 4.1Å; V180-L199 HydrophobicContact CG2-CD1 4.39Å; V180-L235 HydrophobicContact CG2-CD1 3.49Å; V180-L235 VanDerWaalsContact CG2-CD1 3.49Å
181T82.4Confident83.8Confident15 Ų1554 Ų549%0.09228%0.279CS..Hα-helixtrans-56.3-44.2-177.9-53.30000111.5L113 Q115 A116 D179 A183 V184 N185L113-T181 HydrophobicContact CD2-CG2 4.3Å; Q115-T181 WeakPolarHBondContact CA-OG1 3.39Å; A116-T181 PolarHBondContact N-OG1 3.37Å; A116-T181 PolarHBondContact O-N 2.87Å; A116-T181 PolarHBondContact O-OG1 3.14Å; D179-T181 WeakPolarHBondContact OD1-CB 3.42Å; D179-T181 PolarHBondContact OD1-N 2.84Å; D179-T181 PolarHBondContact OD1-OG1 3.12Å; T181-A183 PolarHBondContact O-N 2.72Å; T181-V184 PolarHBondContact O-N 3.2Å; T181-N185 WeakPolarHBondContact O-CB 2.95Å; T181-N185 PolarHBondContact O-N 3.22Å
182E82.9Confident83.2Confident108 Ų10857.9 Ų57.951%0.50529%0.289SS..Hα-helixtrans-60.4-43.7177.4-66-169166.400112.4V180 V184 N185 F186V180-E182 VanDerWaalsContact C-N 3.3Å; V180-E182 PolarHBondContact O-N 2.96Å; E182-V184 VanDerWaalsContact C-N 3.3Å; E182-V184 PolarHBondContact O-N 2.93Å; E182-N185 PolarHBondContact O-N 3.26Å; E182-F186 HydrophobicContact CB-CD2 4.34Å; E182-F186 HydrophobicContact CB-CE2 4.06Å; E182-F186 WeakPolarHBondContact O-CD2 3Å; E182-F186 WeakPolarHBondContact O-CG 3.41Å; E182-F186 PolarHBondContact O-N 2.86Å
183A86.9Confident82.3Confident0 Ų059.2 Ų59.20%031%0.307CS..Hα-helixtrans-60-42.9179.200000111.5W149 I163 V180 T181 W187 L197 L199W149-A183 HydrophobicContact CB-CB 4.04Å; W149-A183 HydrophobicContact CG-CB 4.24Å; I163-A183 HydrophobicContact CD1-CB 3.84Å; I163-A183 HydrophobicContact CG1-CB 3.95Å; I163-A183 HydrophobicContact CG2-CB 4.29Å; V180-A183 HydrophobicContact CB-CB 4.46Å; V180-A183 WeakPolarHBondContact O-CB 3.06Å; V180-A183 PolarHBondContact O-N 3.32Å; V180-A183 VanDerWaalsContact O-N 3.12Å; T181-A183 PolarHBondContact O-N 2.72Å; A183-W187 VanDerWaalsContact O-CB 3.26Å; A183-W187 WeakPolarHBondContact O-CB 3.19Å; A183-W187 PolarHBondContact O-N 3.46Å; A183-L197 HydrophobicContact CB-CD1 4.43Å; A183-L199 HydrophobicContact CB-CD2 4.02Å
184V85.1Confident81.7Confident0 Ų059.9 Ų59.90%030%0.298CS..Hα-helixtrans-69.4-40.6177.8-175.60000111M103 L107 L113 A116 V180 T181 E182 W187 Q188 L197 L237M103-V184 HydrophobicContact CE-CG1 3.95Å; L107-V184 HydrophobicContact CD1-CG1 3.85Å; L113-V184 HydrophobicContact CD2-CB 3.62Å; L113-V184 HydrophobicContact CD2-CG1 3.47Å; L113-V184 VanDerWaalsContact CD2-CG1 3.47Å; A116-V184 HydrophobicContact CB-CB 4.15Å; A116-V184 HydrophobicContact CB-CG2 3.51Å; V180-V184 PolarHBondContact O-N 3.29Å; T181-V184 PolarHBondContact O-N 3.2Å; E182-V184 VanDerWaalsContact C-N 3.3Å; E182-V184 PolarHBondContact O-N 2.93Å; V184-W187 PolarHBondContact O-N 2.84Å; V184-Q188 WeakPolarHBondContact O-CG 3.49Å; V184-Q188 PolarHBondContact O-N 3.08Å; V184-L197 HydrophobicContact CG2-CD2 3.93Å; V184-L237 HydrophobicContact CG1-CD2 4.45Å; V184-L237 HydrophobicContact CG2-CD2 4.22Å
185N81.2Confident81.3Confident59 Ų5962.3 Ų62.332%0.31631%0.311SS..Hα-helixtrans-60.5-45.8175.3-81.3-24.8000112.2T181 E182 Q188 Q189T181-N185 WeakPolarHBondContact O-CB 2.95Å; T181-N185 PolarHBondContact O-N 3.22Å; E182-N185 PolarHBondContact O-N 3.26Å; N185-Q188 WeakPolarHBondContact O-CB 3.46Å; N185-Q188 PolarHBondContact O-N 2.84Å; N185-Q189 WeakPolarHBondContact O-CG 3.32Å
186F82.1Confident81.3Confident93 Ų9360.8 Ų60.841%0.40831%0.313SS..Hα-helixtrans-67.2-39.1176-68.7-58.4000112.3W149 E182 Q188 Q189W149-F186 HydrophobicContact CE3-CB 4.04Å; W149-F186 HydrophobicContact CH2-CB 3.59Å; W149-F186 HydrophobicContact CZ3-CB 3.28Å; W149-F186 HydrophobicContact CZ3-CD2 4.31Å; W149-F186 HydrophobicContact CZ3-CG 4Å; E182-F186 HydrophobicContact CB-CD2 4.34Å; E182-F186 HydrophobicContact CB-CE2 4.06Å; E182-F186 WeakPolarHBondContact O-CD2 3Å; E182-F186 WeakPolarHBondContact O-CG 3.41Å; E182-F186 PolarHBondContact O-N 2.86Å; F186-Q188 VanDerWaalsContact C-N 3.26Å; F186-Q188 PolarHBondContact O-N 3.15Å; F186-Q189 WeakPolarHBondContact O-CB 3.22Å; F186-Q189 PolarHBondContact O-N 2.95Å; F186-Q189 VanDerWaalsContact O-N 3.12Å
187W84.7Confident81.3Confident10 Ų1059.1 Ų59.14%0.03831%0.306CS..Hα-helixtrans-59.4-38.2174.2173.787.5000112.1M103 L107 W149 A183 V184 Q189 L190 R194 P195 L197M103-W187 HydrophobicContact CB-CD2 4.34Å; M103-W187 HydrophobicContact CB-CE3 4.34Å; M103-W187 HydrophobicContact CB-CH2 3.3Å; M103-W187 HydrophobicContact CB-CZ2 3.27Å; M103-W187 HydrophobicContact CB-CZ3 3.87Å; M103-W187 HydrophobicContact CG-CD2 4.33Å; M103-W187 HydrophobicContact CG-CH2 4.27Å; M103-W187 HydrophobicContact CG-CZ2 4.05Å; L107-W187 HydrophobicContact CD1-CE3 4.2Å; L107-W187 HydrophobicContact CD1-CZ3 3.71Å; W149-W187 HydrophobicContact CZ2-CB 4.37Å; A183-W187 VanDerWaalsContact O-CB 3.26Å; A183-W187 WeakPolarHBondContact O-CB 3.19Å; A183-W187 PolarHBondContact O-N 3.46Å; V184-W187 PolarHBondContact O-N 2.84Å; W187-Q189 PolarHBondContact O-N 3.11Å; W187-L190 WeakPolarHBondContact O-CB 3.45Å; W187-L190 PolarHBondContact O-N 2.8Å; W187-R194 HydrophobicContact CH2-CB 4.48Å; W187-R194 HydrophobicContact CZ2-CB 3.7Å; W187-R194 HydrophobicContact CZ2-CG 4.45Å; W187-P195 PolarHBondContact NE1-O 2.86Å; W187-L197 HydrophobicContact CB-CD1 3.89Å; W187-L197 HydrophobicContact CG-CD1 4.12Å
188Q80.4Confident81.3Confident64 Ų6457.1 Ų57.130%0.29929%0.293SS..Hα-helixtrans-61.7-27.3177.1-76.4-180700113L107 V184 N185 F186 L190 R194L107-Q188 HydrophobicContact CD1-CG 3.83Å; V184-Q188 WeakPolarHBondContact O-CG 3.49Å; V184-Q188 PolarHBondContact O-N 3.08Å; N185-Q188 WeakPolarHBondContact O-CB 3.46Å; N185-Q188 PolarHBondContact O-N 2.84Å; F186-Q188 VanDerWaalsContact C-N 3.26Å; F186-Q188 PolarHBondContact O-N 3.15Å; Q188-L190 VanDerWaalsContact C-N 3.35Å; Q188-R194 PolarHBondContact O-NH1 3.16Å
189Q77.4Confident81.5Confident95 Ų9557 Ų5744%0.44429%0.293SS..THydrogen-bonded Turntrans-82.4-10.1-178.2-62.4168.321.700113.4N185 F186 W187N185-Q189 WeakPolarHBondContact O-CG 3.32Å; F186-Q189 WeakPolarHBondContact O-CB 3.22Å; F186-Q189 PolarHBondContact O-N 2.95Å; F186-Q189 VanDerWaalsContact O-N 3.12Å; W187-Q189 PolarHBondContact O-N 3.11Å
190L76.4Confident81.8Confident46 Ų4658 Ų5824%0.24130%0.296CS..SBendtrans-65.6142.3177.3-66.8175.2000111.8W149 W187 Q188 R194 P195W149-L190 HydrophobicContact CZ2-CD1 4.12Å; W187-L190 WeakPolarHBondContact O-CB 3.45Å; W187-L190 PolarHBondContact O-N 2.8Å; Q188-L190 VanDerWaalsContact C-N 3.35Å; L190-R194 HydrophobicContact CB-CG 4.1Å; L190-R194 WeakPolarHBondContact O-CG 3.5Å; L190-P195 HydrophobicContact CD1-CG 4.09Å
191S65.6Low82Confident109 Ų10958.1 Ų58.176%0.76230%0.297SS*.PPolyproline II helixtrans-57.8147.2173.5-62.10000111.6P193S191-P193 CarbonylContact O-C 3.49Å
192R74Confident82.5Confident205 Ų20557.8 Ų57.877%0.77430%0.295SS*.SBendtrans-80.9142.9177-65.5-170.8-177.3-158.83.2110.5
193P68.4Low82.8Confident130 Ų13052.8 Ų52.884%0.84427%0.272SS*.SBendcis-74.1136.7-0.330.2-34000112.5S191S191-P193 CarbonylContact O-C 3.49Å
194R76.8Confident83Confident84 Ų8457 Ų5732%0.31729%0.292SS..PPolyproline II helixtrans-84128.7-176.5-75.2-179.1-89.1-1652.1110W187 Q188 L190W187-R194 HydrophobicContact CH2-CB 4.48Å; W187-R194 HydrophobicContact CZ2-CB 3.7Å; W187-R194 HydrophobicContact CZ2-CG 4.45Å; Q188-R194 PolarHBondContact O-NH1 3.16Å; L190-R194 HydrophobicContact CB-CG 4.1Å; L190-R194 WeakPolarHBondContact O-CG 3.5Å
195P81.6Confident83Confident68 Ų6861.9 Ų61.944%0.44231%0.31SS..PPolyproline II helixtrans-64.9165.7173.728.5-34.6000110.9W187 L190W187-P195 PolarHBondContact NE1-O 2.86Å; L190-P195 HydrophobicContact CD1-CG 4.09Å
196P86.8Confident83.1Confident61 Ų6160 Ų6040%0.39630%0.299SS..PPolyproline II helixtrans-60.1156.2171.427.3-35.4000111.5V100 F101 L198V100-P196 HydrophobicContact CG1-CB 3.83Å; V100-P196 HydrophobicContact CG1-CG 4.02Å; F101-P196 WeakPolarHBondContact O-CA 3.47Å; F101-P196 VanDerWaalsContact O-CB 3.31Å; F101-P196 WeakPolarHBondContact O-CB 3.43Å; P196-L198 HydrophobicContact CG-CD2 4.29Å; P196-L198 PolarHBondContact O-N 2.91Å
197L88.4Confident82.9Confident0 Ų061.2 Ų61.20%031%0.306CS..EExtended strand (participates in β ladder)trans-76.8120.9172.6177.476.7000108.7F101 M103 A183 V184 W187 L199 L235F101-L197 HydrophobicContact CB-CB 4.23Å; F101-L197 PolarHBondContact N-O 2.97Å; F101-L197 PolarHBondContact O-N 2.74Å; M103-L197 HydrophobicContact CE-CD2 4.49Å; M103-L197 HydrophobicContact CG-CB 3.5Å; M103-L197 HydrophobicContact SD-CB 4.13Å; M103-L197 HydrophobicContact SD-CD2 4.17Å; A183-L197 HydrophobicContact CB-CD1 4.43Å; V184-L197 HydrophobicContact CG2-CD2 3.93Å; W187-L197 HydrophobicContact CB-CD1 3.89Å; W187-L197 HydrophobicContact CG-CD1 4.12Å; L197-L199 HydrophobicContact CD1-CD2 4.46Å; L197-L199 HydrophobicContact CD2-CD1 4.33Å; L197-L199 HydrophobicContact CD2-CG 4.36Å; L197-L199 HydrophobicContact CG-CD2 4.4Å; L197-L199 HydrophobicContact CG-CG 4.29Å; L197-L235 HydrophobicContact CD2-CD2 3.71Å
198L89Confident82.2Confident24 Ų2468.8 Ų68.813%0.12635%0.347CS..EExtended strand (participates in β ladder)trans-108.3117.5-179.7-56.4175.7000109.5L98 L99 V100 W149 L150 V152 P196L98-L198 HydrophobicContact CD1-CB 4.37Å; L99-L198 WeakPolarHBondContact O-CA 3.37Å; V100-L198 HydrophobicContact CB-CD2 4.03Å; V100-L198 HydrophobicContact CG1-CD2 3.76Å; V100-L198 HydrophobicContact CG2-CD2 3.5Å; W149-L198 VanDerWaalsContact CD1-O 3.31Å; L150-L198 HydrophobicContact CB-CB 3.96Å; L150-L198 HydrophobicContact CD2-CB 4.5Å; L150-L198 HydrophobicContact CD2-CD1 4.33Å; L150-L198 PolarHBondContact N-O 3.34Å; V152-L198 HydrophobicContact CG2-CD1 3.89Å; P196-L198 HydrophobicContact CG-CD2 4.29Å; P196-L198 PolarHBondContact O-N 2.91Å
199L90.9Very high81.7Confident0 Ų067.7 Ų67.70%035%0.352CS..EExtended strand (participates in β ladder)trans-114.5122.5175.8-62.2179.3000109.3L99 F101 L118 V147 E148 W149 V180 A183 L197L99-L199 HydrophobicContact CB-CB 4.41Å; L99-L199 PolarHBondContact N-O 3.31Å; L99-L199 PolarHBondContact O-N 3.46Å; F101-L199 HydrophobicContact CD2-CD1 4.3Å; F101-L199 HydrophobicContact CD2-CG 4.49Å; F101-L199 HydrophobicContact CE2-CB 4.47Å; F101-L199 HydrophobicContact CE2-CD1 3.92Å; F101-L199 HydrophobicContact CE2-CG 4.36Å; L118-L199 HydrophobicContact CD2-CD1 4.19Å; V147-L199 HydrophobicContact CG1-CB 4.5Å; E148-L199 CarbonylContact O-C 3.57Å; E148-L199 WeakPolarHBondContact O-CA 3.14Å; W149-L199 HydrophobicContact CB-CD2 4.38Å; V180-L199 HydrophobicContact CB-CD1 4.34Å; V180-L199 HydrophobicContact CG1-CD1 4.1Å; V180-L199 HydrophobicContact CG2-CD1 4.39Å; A183-L199 HydrophobicContact CB-CD2 4.02Å; L197-L199 HydrophobicContact CD1-CD2 4.46Å; L197-L199 HydrophobicContact CD2-CD1 4.33Å; L197-L199 HydrophobicContact CD2-CG 4.36Å; L197-L199 HydrophobicContact CG-CD2 4.4Å; L197-L199 HydrophobicContact CG-CG 4.29Å
200Q90.4Very high81.1Confident48 Ų4870.1 Ų70.122%0.22438%0.376CS..EExtended strand (participates in β ladder)trans-95.2120.3173-179.2174.6-72.300108.8T96 V147 E148T96-Q200 HydrophobicContact CG2-CG 3.68Å; V147-Q200 WeakPolarHBondContact CA-O 3.5Å; E148-Q200 HydrophobicContact CB-CB 4.41Å; E148-Q200 PolarHBondContact N-O 3.49Å; E148-Q200 PolarHBondContact O-N 2.93Å; E148-Q200 PolarHBondContact OE2-NE2 2.93Å
201V91.6Very high80.6Confident2 Ų274.4 Ų74.41%0.01240%0.399CS..EExtended strand (participates in β ladder)trans-106.1121.7175.4-177.20000108T96 H97 L99 L118 L120 V145 T146 V147T96-V201 CarbonylContact C-O 3.57Å; T96-V201 WeakPolarHBondContact CA-O 3.42Å; H97-V201 HydrophobicContact CB-CB 4.17Å; H97-V201 PolarHBondContact N-O 3.46Å; H97-V201 PolarHBondContact O-N 3.24Å; L99-V201 HydrophobicContact CD1-CG2 3.86Å; L99-V201 HydrophobicContact CG-CG2 4.42Å; L118-V201 HydrophobicContact CD2-CG2 4.12Å; L120-V201 HydrophobicContact CD1-CG1 3.79Å; L120-V201 HydrophobicContact CD1-CG2 4.07Å; V145-V201 HydrophobicContact CG1-CG1 3.76Å; T146-V201 CarbonylContact O-C 3.59Å; T146-V201 WeakPolarHBondContact O-CA 3.34Å; V147-V201 HydrophobicContact CG2-CG2 4.38Å
202S91Very high80.7Confident7 Ų769.8 Ų69.85%0.04937%0.367CS..EExtended strand (participates in β ladder)trans-122.1138.8177.692.10000111.7S95 V145 T146 Q204S95-S202 CarbonylContact O-C 3.51Å; S95-S202 WeakPolarHBondContact O-CA 3.26Å; V145-S202 WeakPolarHBondContact CA-O 3.36Å; T146-S202 PolarHBondContact N-O 3.39Å; T146-S202 PolarHBondContact O-N 3.38Å; T146-S202 PolarHBondContact OG1-O 3.31Å; T146-S202 PolarHBondContact OG1-OG 2.88Å; S202-Q204 PolarHBondContact OG-NE2 3.22Å
203V91.1Very high81Confident3 Ų360.4 Ų60.42%0.01833%0.333CS..EExtended strand (participates in β ladder)trans-106.7107.9178.5-170.90000109.1S95 A143 R144 V145 H216 V219 F221S95-V203 WeakPolarHBondContact CB-O 3.45Å; S95-V203 PolarHBondContact O-N 2.84Å; A143-V203 HydrophobicContact CB-CG1 3.96Å; R144-V203 CarbonylContact O-C 3.55Å; V145-V203 HydrophobicContact CG2-CG2 4.46Å; V203-H216 HydrophobicContact CG1-CB 4Å; V203-V219 HydrophobicContact CG1-CB 3.98Å; V203-V219 HydrophobicContact CG1-CG1 4.22Å; V203-F221 HydrophobicContact CG2-CD2 4.34Å; V203-F221 HydrophobicContact CG2-CE2 3.97Å
204Q89.1Confident81.6Confident89 Ų8955.3 Ų55.342%0.41630%0.304SS..EExtended strand (participates in β ladder)trans-112.9165.6-173.9-58.3-1780.600111.5R144 S202 H216R144-Q204 HydrophobicContact CB-CB 4.49Å; R144-Q204 PolarHBondContact N-O 2.03Å; R144-Q204 PolarHBondContact O-N 3.45Å; S202-Q204 PolarHBondContact OG-NE2 3.22Å; Q204-H216 WeakPolarHBondContact O-CB 3.35Å
205R86.6Confident82Confident103 Ų10351.3 Ų51.339%0.38929%0.289SS..EExtended strand (participates in β ladder)trans-65.2148.7171.5-62.7-179.1-166.4-154.410109.7H207 A212 H216R205-H207 VanDerWaalsContact C-N 3.3Å; R205-H207 VanDerWaalsContact CB-O 3.31Å; R205-H207 WeakPolarHBondContact CB-O 3.41Å; R205-H207 PolarHBondContact O-N 3.31Å; R205-A212 HydrophobicContact CB-CB 4.41Å; R205-H216 VanDerWaalsContact CG-CE1 3.42Å; R205-H216 WeakPolarHBondContact CG-CE1 3.31Å; R205-H216 VanDerWaalsContact CG-ND1 3.33Å; R205-H216 WeakPolarHBondContact CG-ND1 3.47Å; R205-H216 PolarHBondContact NE-CE1 3.41Å; R205-H216 VanDerWaalsContact NE-CE1 3.28Å
206E83.8Confident82.2Confident19 Ų1949.2 Ų49.29%0.08927%0.273CS..SBendtrans-61.6-40.2174.5-174.9-176.3-176.600112S140 R142 L167S140-E206 WeakPolarHBondContact CB-OE2 3.36Å; S140-E206 PolarHBondContact OG-OE2 3.38Å; R142-E206 IonicContact CZ-OE1 2.84Å; R142-E206 VanDerWaalsContact CZ-OE1 3.25Å; R142-E206 IonicContact NE-OE1 2.7Å; R142-E206 PolarHBondContact NE-OE1 3.11Å; R142-E206 VanDerWaalsContact NE-OE1 3.07Å; R142-E206 IonicContact NE-OE2 3.61Å; R142-E206 IonicContact NH2-OE1 3.26Å; R142-E206 PolarHBondContact NH2-OE1 3.22Å; L167-E206 HydrophobicContact CD1-CG 4.31Å; L167-E206 HydrophobicContact CD2-CB 4.36Å; L167-E206 HydrophobicContact CD2-CG 3.85Å
207H77.8Confident82.2Confident119 Ų11953.2 Ų53.255%0.55128%0.284SS*.SBendtrans-127.8150.3178.6-62.887.6000110.1R205 A212R205-H207 VanDerWaalsContact C-N 3.3Å; R205-H207 VanDerWaalsContact CB-O 3.31Å; R205-H207 WeakPolarHBondContact CB-O 3.41Å; R205-H207 PolarHBondContact O-N 3.31Å; H207-A212 WeakPolarHBondContact O-CB 3.49Å
208L69.4Low82.2Confident169 Ų16955 Ų5589%0.88529%0.294SS*.  trans-96.9122.5171-63.7172.9000108.5
209G68.8Low82.2Confident41 Ų4154.3 Ų54.342%0.42329%0.29SS..SBendtrans152.7175.1177.900000114.5L211 A212G209-L211 PolarHBondContact O-N 2.95Å; G209-A212 WeakPolarHBondContact O-CB 3.3Å; G209-A212 PolarHBondContact O-N 3.08Å
210P65.6Low82.1Confident145 Ų14561.6 Ų61.694%0.94232%0.318SS*.THydrogen-bonded Turntrans-61.8-26-176.7-21.231.9000113.8
211L66.1Low81.9Confident136 Ų13660.1 Ų60.171%0.71231%0.311SS*.THydrogen-bonded Turntrans-90.95179.6-79.3145000113.6G209 S213G209-L211 PolarHBondContact O-N 2.95Å; L211-S213 PolarHBondContact O-N 3.23Å
212A68.3Low81.5Confident13 Ų1360.3 Ų60.311%0.10731%0.312CS..  trans-71.9125.6-175.300000112.2R205 H207 G209R205-A212 HydrophobicContact CB-CB 4.41Å; H207-A212 WeakPolarHBondContact O-CB 3.49Å; G209-A212 WeakPolarHBondContact O-CB 3.3Å; G209-A212 PolarHBondContact O-N 3.08Å
213S78.6Confident80.6Confident7 Ų762.8 Ų62.85%0.04933%0.33CS..  trans-60.6138178.7-179.10000113.1H133 S140 L211 A215H133-S213 PolarHBondContact CE1-OG 2.86Å; H133-S213 PolarHBondContact NE2-OG 3.46Å; S140-S213 WeakPolarHBondContact O-CB 3.37Å; S140-S213 PolarHBondContact O-OG 3.38Å; S140-S213 WeakPolarHBondContact OG-CB 3.36Å; L211-S213 PolarHBondContact O-N 3.23Å; S213-A215 PolarHBondContact O-N 3.43Å; S213-A215 WeakPolarHBondContact OG-CB 3.48Å; S213-A215 PolarHBondContact OG-N 3.49Å
214G81.8Confident79.1Confident23 Ų2366.7 Ų66.724%0.23735%0.348CS..G310 helixtrans-72.87.4171.500000114.9H216 K217G214-H216 VanDerWaalsContact C-N 3.26Å; G214-H216 PolarHBondContact O-N 3.12Å; G214-K217 WeakPolarHBondContact O-CB 3.44Å; G214-K217 PolarHBondContact O-N 2.95Å; G214-K217 VanDerWaalsContact O-N 3.09Å
215A85.1Confident77.4Confident0 Ų065.8 Ų65.80%036%0.363CS..G310 helixtrans-55.1-35.3-173.500000114.1H133 V170 S213 K217 L218H133-A215 PolarHBondContact NE2-N 3.3Å; V170-A215 HydrophobicContact CG1-CB 3.8Å; V170-A215 WeakPolarHBondContact CG1-O 3.45Å; S213-A215 PolarHBondContact O-N 3.43Å; S213-A215 WeakPolarHBondContact OG-CB 3.48Å; S213-A215 PolarHBondContact OG-N 3.49Å; A215-K217 PolarHBondContact O-N 2.87Å; A215-K217 VanDerWaalsContact O-N 3.1Å; A215-L218 WeakPolarHBondContact O-CB 3.4Å; A215-L218 PolarHBondContact O-N 2.91Å
216H86.8Confident75.7Confident25 Ų2562.7 Ų62.712%0.11636%0.359CS..G310 helixtrans-51.7-31.5175.667.5-69.1000114.4A143 V203 Q204 R205 G214 L218 V219A143-H216 HydrophobicContact CB-CB 4.02Å; V203-H216 HydrophobicContact CG1-CB 4Å; Q204-H216 WeakPolarHBondContact O-CB 3.35Å; R205-H216 VanDerWaalsContact CG-CE1 3.42Å; R205-H216 WeakPolarHBondContact CG-CE1 3.31Å; R205-H216 VanDerWaalsContact CG-ND1 3.33Å; R205-H216 WeakPolarHBondContact CG-ND1 3.47Å; R205-H216 PolarHBondContact NE-CE1 3.41Å; R205-H216 VanDerWaalsContact NE-CE1 3.28Å; G214-H216 VanDerWaalsContact C-N 3.26Å; G214-H216 PolarHBondContact O-N 3.12Å; H216-L218 PolarHBondContact O-N 2.93Å; H216-V219 PolarHBondContact O-N 3.2Å
217K87.1Confident74Confident145 Ų14567.4 Ų67.463%0.6339%0.391SS*.G310 helixtrans-70.7-18.1179.1-60.2-177.6177.4-176.90113.6G214 A215G214-K217 WeakPolarHBondContact O-CB 3.44Å; G214-K217 PolarHBondContact O-N 2.95Å; G214-K217 VanDerWaalsContact O-N 3.09Å; A215-K217 PolarHBondContact O-N 2.87Å; A215-K217 VanDerWaalsContact O-N 3.1Å
218L87.5Confident72.6Confident38 Ų3866 Ų6620%0.19940%0.4CS..THydrogen-bonded Turntrans-93.3-21.5-178.8-61179000112.3V125 A129 H133 V170 A215 H216 R220V125-L218 HydrophobicContact CG1-CB 4.03Å; V125-L218 HydrophobicContact CG1-CD1 4.31Å; V125-L218 HydrophobicContact CG1-CD2 4.31Å; V125-L218 HydrophobicContact CG1-CG 4.46Å; V125-L218 HydrophobicContact CG2-CB 4.27Å; V125-L218 WeakPolarHBondContact CG2-O 3.3Å; A129-L218 HydrophobicContact CB-CD2 4.02Å; H133-L218 HydrophobicContact CB-CD1 3.71Å; V170-L218 HydrophobicContact CG1-CB 4.09Å; A215-L218 WeakPolarHBondContact O-CB 3.4Å; A215-L218 PolarHBondContact O-N 2.91Å; H216-L218 PolarHBondContact O-N 2.93Å; L218-R220 PolarHBondContact O-N 2.62Å
219V88.9Confident72Confident8 Ų860.3 Ų60.35%0.04838%0.382CS..  trans-76.9120.8177.7179.20000108.5Q122 A143 V168 V170 V203 H216 F221Q122-V219 HydrophobicContact CG-CG1 4.49Å; A143-V219 HydrophobicContact CB-CB 4.5Å; A143-V219 HydrophobicContact CB-CG2 3.71Å; V168-V219 HydrophobicContact CG2-CG1 4.09Å; V168-V219 HydrophobicContact CG2-CG2 4.16Å; V170-V219 HydrophobicContact CG1-CG2 3.74Å; V203-V219 HydrophobicContact CG1-CB 3.98Å; V203-V219 HydrophobicContact CG1-CG1 4.22Å; H216-V219 PolarHBondContact O-N 3.2Å; V219-F221 HydrophobicContact CG1-CE2 4Å; V219-F221 HydrophobicContact CG1-CZ 4.12Å
220R88.1Confident71.5Confident154 Ų15464.5 Ų64.558%0.58139%0.394SS*.  trans-129.5140.8175-65.6-177-179.2149.8-1.6109.2Q122 E123 L218Q122-R220 WeakPolarHBondContact CA-O 3.47Å; E123-R220 HydrophobicContact CB-CB 4.43Å; E123-R220 PolarHBondContact N-O 3.34Å; E123-R220 WeakPolarHBondContact OE2-CB 3.44Å; L218-R220 PolarHBondContact O-N 2.62Å
221F87.4Confident71.7Confident17 Ų1757.7 Ų57.78%0.07535%0.35CS..BIsolated β-bridgetrans-106.3138.9172.3-66.9-72.4000108.9L120 F121 Q122 V145 K176 V203 V219 S223L120-F221 HydrophobicContact CB-CD1 3.53Å; L120-F221 HydrophobicContact CB-CE1 3.8Å; L120-F221 HydrophobicContact CB-CG 4.15Å; L120-F221 HydrophobicContact CD1-CD1 4.45Å; L120-F221 HydrophobicContact CD1-CE1 4.46Å; L120-F221 HydrophobicContact CD1-CG 4.48Å; F121-F221 VanDerWaalsContact O-CA 3.29Å; F121-F221 WeakPolarHBondContact O-CA 3.31Å; Q122-F221 HydrophobicContact CB-CD1 4.25Å; Q122-F221 HydrophobicContact CB-CE1 3.97Å; V145-F221 HydrophobicContact CG1-CE2 4.11Å; V145-F221 HydrophobicContact CG1-CZ 4.27Å; V145-F221 HydrophobicContact CG2-CE2 4.02Å; V145-F221 HydrophobicContact CG2-CZ 3.95Å; K176-F221 HydrophobicContact CB-CE1 4.29Å; K176-F221 HydrophobicContact CG-CE1 4.16Å; V203-F221 HydrophobicContact CG2-CD2 4.34Å; V203-F221 HydrophobicContact CG2-CE2 3.97Å; V219-F221 HydrophobicContact CG1-CE2 4Å; V219-F221 HydrophobicContact CG1-CZ 4.12Å; F221-S223 PolarHBondContact O-N 2.88Å
222A82.4Confident72.3Confident5 Ų553.9 Ų53.94%0.04133%0.329CS..  trans-60.2136.4176.700000110.2F121 E123 G231F121-A222 HydrophobicContact CB-CB 4.37Å; F121-A222 HydrophobicContact CD1-CB 4.2Å; F121-A222 PolarHBondContact O-N 2.85Å; E123-A222 HydrophobicContact CG-CB 4.23Å; A222-G231 WeakPolarHBondContact CB-O 3.28Å
223S71.8Confident73.2Confident59 Ų5953.7 Ų53.741%0.41333%0.327SS..  trans-115.8164.6177.865.70000110.3F221 G225 A226F221-S223 PolarHBondContact O-N 2.88Å; S223-G225 PolarHBondContact O-N 2.96Å; S223-A226 PolarHBondContact O-N 3.04Å
224Q60.3Low73.5Confident85 Ų8555.4 Ų55.440%0.39733%0.334SS..THydrogen-bonded Turntrans-55.7103177-89.3179.7-1100110G87 E232G87-Q224 PolarHBondContact O-NE2 3.4Å; Q224-E232 HydrophobicContact CG-CG 4.21Å
225G52.9Low73.7Confident71 Ų7154.3 Ų54.373%0.73232%0.323SS*.THydrogen-bonded Turntrans150.7-10.4-173.600000115.9S223S223-G225 PolarHBondContact O-N 2.96Å
226A52.2Low73.7Confident37 Ų3755.7 Ų55.731%0.30633%0.329SS..SBendtrans-68.7140.717200000111.3S223 A228S223-A226 PolarHBondContact O-N 3.04Å; A226-A228 PolarHBondContact O-N 3.38Å; A226-A228 VanDerWaalsContact O-N 3.16Å
227P47.4Very low73.4Confident118 Ų11855.8 Ų55.877%0.76633%0.33SS*.THydrogen-bonded Turntrans-63.3121.9-178.124.4-30.2000109.9
228A49.1Very low73Confident89 Ų8951 Ų5174%0.73631%0.31SS*.THydrogen-bonded Turntrans75.644.1176.600000118.2A226 L230A226-A228 PolarHBondContact O-N 3.38Å; A226-A228 VanDerWaalsContact O-N 3.16Å; A228-L230 HydrophobicContact CB-CD1 4.34Å; A228-L230 PolarHBondContact O-N 3.29Å
229G56Low72.5Confident50 Ų5051.1 Ų51.152%0.51531%0.313SS..SBendtrans60.47.8166.100000115.3G231G229-G231 PolarHBondContact O-N 3.48Å
230L59.2Low71.9Confident129 Ų12951.1 Ų51.168%0.67531%0.312SS*.THydrogen-bonded Turntrans-78.8106.1-178.1-86.1149.8000108.1A228A228-L230 HydrophobicContact CB-CD1 4.34Å; A228-L230 PolarHBondContact O-N 3.29Å
231G67.8Low71.3Confident2 Ų246 Ų462%0.02130%0.296CS..THydrogen-bonded Turntrans100.69.2169.400000116.1F121 A222 G229F121-G231 VanDerWaalsContact CB-CA 3.4Å; A222-G231 WeakPolarHBondContact CB-O 3.28Å; G229-G231 PolarHBondContact O-N 3.48Å
232E80.4Confident70.8Confident56 Ų5648.3 Ų48.326%0.26231%0.309SS..  trans-57.1143.7172.7-68-169-179.700111.4A86 Q224 Q234A86-E232 WeakPolarHBondContact CB-OE2 3.31Å; Q224-E232 HydrophobicContact CG-CG 4.21Å; E232-Q234 PolarHBondContact O-N 3.2Å
233P85.8Confident70.5Confident9 Ų953 Ų536%0.05833%0.326CS..  trans-59.6119.7175.3-25.735.3000111.6G87 L99 L120G87-P233 PolarHBondContact N-O 3.07Å; L99-P233 HydrophobicContact CD1-CB 4.08Å; L99-P233 HydrophobicContact CD2-CB 3.92Å; L99-P233 HydrophobicContact CD2-CG 3.8Å; L120-P233 HydrophobicContact CD2-CB 3.78Å; L120-P233 HydrophobicContact CD2-CG 4.19Å
234Q85.5Confident70.6Confident43 Ų4353.5 Ų53.520%0.20132%0.324CS..EExtended strand (participates in β ladder)trans-110.5129.4-179-71.3176-22.800110.5M85 R119 E232M85-Q234 WeakPolarHBondContact O-CA 3.34Å; R119-Q234 HydrophobicContact CB-CB 4.26Å; R119-Q234 PolarHBondContact N-O 3.37Å; R119-Q234 PolarHBondContact O-N 3.02Å; E232-Q234 PolarHBondContact O-N 3.2Å
235L85.9Confident71.4Confident1 Ų152 Ų521%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-105.6112.9167.7177.662.5000109M85 F101 M103 A116 V180 L197 L237M85-L235 HydrophobicContact CB-CB 4.31Å; M85-L235 HydrophobicContact CE-CB 3.82Å; M85-L235 HydrophobicContact CE-CD2 3.38Å; M85-L235 HydrophobicContact CE-CG 3.46Å; M85-L235 VanDerWaalsContact CE-CG 3.46Å; M85-L235 PolarHBondContact O-N 2.75Å; M85-L235 VanDerWaalsContact O-N 3.16Å; M85-L235 HydrophobicContact SD-CD2 4.35Å; F101-L235 HydrophobicContact CB-CD2 4.11Å; F101-L235 HydrophobicContact CD1-CB 3.69Å; F101-L235 HydrophobicContact CD1-CD2 3.9Å; F101-L235 HydrophobicContact CD1-CG 4.46Å; F101-L235 HydrophobicContact CD2-CD2 3.98Å; F101-L235 HydrophobicContact CE1-CB 3.39Å; F101-L235 HydrophobicContact CE1-CD2 4.3Å; F101-L235 HydrophobicContact CE1-CG 4.49Å; F101-L235 HydrophobicContact CE2-CB 4.44Å; F101-L235 HydrophobicContact CE2-CD2 4.37Å; F101-L235 HydrophobicContact CG-CB 4.33Å; F101-L235 HydrophobicContact CG-CD2 3.72Å; F101-L235 HydrophobicContact CZ-CB 3.81Å; M103-L235 HydrophobicContact SD-CD2 4.13Å; A116-L235 HydrophobicContact CB-CD1 4.49Å; V180-L235 HydrophobicContact CG2-CD1 3.49Å; V180-L235 VanDerWaalsContact CG2-CD1 3.49Å; L197-L235 HydrophobicContact CD2-CD2 3.71Å; L235-L237 HydrophobicContact CD1-CD2 4.41Å; L235-L237 HydrophobicContact CG-CD2 4.22Å
236E84.1Confident72.6Confident29 Ų2948.8 Ų48.814%0.13628%0.282CS..EExtended strand (participates in β ladder)trans-98.5130.4178-68.6176.7-178.200109.4A116 V117 R119A116-E236 CarbonylContact C-O 3.52Å; A116-E236 WeakPolarHBondContact CA-O 3.43Å; V117-E236 HydrophobicContact CB-CB 4.43Å; V117-E236 PolarHBondContact N-O 3.05Å; V117-E236 PolarHBondContact O-N 3.05Å; R119-E236 WeakPolarHBondContact CD-OE1 3.39Å; R119-E236 WeakPolarHBondContact CD-OE2 3.28Å; R119-E236 IonicContact CZ-OE1 2.7Å; R119-E236 IonicContact NE-OE1 3.07Å; R119-E236 IonicContact NH1-OE1 3.9Å; R119-E236 PolarHBondContact NH1-OE1 2.77Å; R119-E236 IonicContact NH1-OE2 2.86Å
237L82.4Confident74.1Confident27 Ų2748.5 Ų48.514%0.14128%0.28CS..EExtended strand (participates in β ladder)trans-115.1118.8177.5-57.4178.8000108.5M85 M103 L107 L113 A116 V184 L235M85-L237 HydrophobicContact CE-CD1 3.62Å; M85-L237 HydrophobicContact CE-CD2 4.25Å; M85-L237 HydrophobicContact CE-CG 3.74Å; M103-L237 HydrophobicContact CE-CD1 3.84Å; M103-L237 HydrophobicContact CE-CD2 4.4Å; L107-L237 HydrophobicContact CD2-CD1 4.14Å; L107-L237 HydrophobicContact CG-CD1 4.21Å; L113-L237 HydrophobicContact CD1-CB 4.41Å; L113-L237 HydrophobicContact CD1-CD2 4.29Å; A116-L237 HydrophobicContact CB-CD2 3.6Å; V184-L237 HydrophobicContact CG1-CD2 4.45Å; V184-L237 HydrophobicContact CG2-CD2 4.22Å; L235-L237 HydrophobicContact CD1-CD2 4.41Å; L235-L237 HydrophobicContact CG-CD2 4.22Å
238H76.9Confident75.8Confident44 Ų4447.9 Ų47.920%0.20427%0.266CS..EExtended strand (participates in β ladder)trans-99.8113.9172.8-59.2-80.5000108.6V114 Q115 L304V114-H238 PolarHBondContact N-O 3.49Å; Q115-H238 HydrophobicContact CB-CB 4.11Å; Q115-H238 PolarHBondContact N-O 3.05Å; Q115-H238 VanDerWaalsContact N-O 3.15Å; Q115-H238 PolarHBondContact O-N 2.7Å; H238-L304 HydrophobicContact CB-CD2 4.26Å; H238-L304 VanDerWaalsContact ND1-CD2 3.31Å; H238-L304 WeakPolarHBondContact ND1-CD2 3.5Å
239T77.5Confident77.5Confident41 Ų4145.4 Ų45.425%0.25225%0.25SC..EExtended strand (participates in β ladder)trans-121149.3-180630000110.8L107 E112 L113L107-T239 HydrophobicContact CD2-CG2 3.9Å; E112-T239 CarbonylContact O-C 3.59Å; E112-T239 WeakPolarHBondContact O-CA 3.39Å; E112-T239 WeakPolarHBondContact O-CB 3.49Å; L113-T239 HydrophobicContact CD1-CG2 4.14Å
240L76.5Confident78.8Confident7 Ų746.2 Ų46.24%0.03724%0.242CC..EExtended strand (participates in β ladder)trans-102137.1169.6-67.9172.1000109.5S111 E112 V114 L242 Y245 P300S111-L240 CarbonylContact C-O 3.57Å; S111-L240 WeakPolarHBondContact CA-O 3.33Å; S111-L240 WeakPolarHBondContact CB-O 3.29Å; E112-L240 PolarHBondContact N-O 3.26Å; E112-L240 PolarHBondContact O-N 3.16Å; V114-L240 HydrophobicContact CG2-CB 4.26Å; V114-L240 HydrophobicContact CG2-CD1 3.4Å; V114-L240 VanDerWaalsContact CG2-CD1 3.4Å; V114-L240 HydrophobicContact CG2-CG 3.45Å; V114-L240 VanDerWaalsContact CG2-CG 3.45Å; L240-L242 PolarHBondContact O-N 3.05Å; L240-Y245 HydrophobicContact CB-CD2 4.31Å; L240-Y245 HydrophobicContact CB-CG 4.28Å; L240-Y245 HydrophobicContact CD1-CD1 4.5Å; L240-Y245 HydrophobicContact CD1-CG 4.4Å; L240-Y245 HydrophobicContact CD2-CD1 4.07Å; L240-Y245 HydrophobicContact CD2-CD2 3.97Å; L240-Y245 HydrophobicContact CD2-CE1 4.19Å; L240-Y245 HydrophobicContact CD2-CE2 4.1Å; L240-Y245 HydrophobicContact CD2-CG 3.96Å; L240-Y245 HydrophobicContact CG-CG 4.43Å; L240-P300 HydrophobicContact CD1-CB 4.07Å; L240-P300 HydrophobicContact CD2-CB 4.12Å
241D76.3Confident80.1Confident47 Ų4741.1 Ų41.125%0.25122%0.217SC..EExtended strand (participates in β ladder)trans-73.1118.4169.8-167.1-26000109R243 D244 Y245D241-R243 PolarHBondContact O-N 3.19Å; D241-R243 VanDerWaalsContact O-N 3.14Å; D241-R243 VanDerWaalsContact OD1-CB 3.3Å; D241-R243 WeakPolarHBondContact OD1-CB 3.4Å; D241-R243 WeakPolarHBondContact OD1-CG 3.36Å; D241-R243 PolarHBondContact OD1-N 2.8Å; D241-D244 PolarHBondContact O-N 2.86Å; D241-D244 VanDerWaalsContact O-N 3.13Å; D241-Y245 PolarHBondContact O-N 2.9Å
242L75.6Confident80.7Confident66 Ų6645.3 Ų45.335%0.34624%0.239SC..Hα-helixtrans-65.3-13.2178.8-68.7173.2000112.7N110 E112 L240 G246N110-L242 VanDerWaalsContact O-CB 3.31Å; N110-L242 WeakPolarHBondContact O-CB 3.24Å; N110-L242 WeakPolarHBondContact O-CG 3.38Å; N110-L242 PolarHBondContact O-N 3.01Å; E112-L242 HydrophobicContact CB-CD2 3.96Å; E112-L242 HydrophobicContact CB-CG 4.46Å; L240-L242 PolarHBondContact O-N 3.05Å; L242-G246 CarbonylContact O-C 3.57Å; L242-G246 WeakPolarHBondContact O-CA 3.46Å; L242-G246 PolarHBondContact O-N 3.44Å
243R75.7Confident80.5Confident104 Ų10448.5 Ų48.539%0.39226%0.264SS..Hα-helixtrans-71.7-36.4172.9-65.4178.8179.2-179.29112.7R77 D241 R262R77-R243 VanDerWaalsContact CG-NH2 3.29Å; D241-R243 PolarHBondContact O-N 3.19Å; D241-R243 VanDerWaalsContact O-N 3.14Å; D241-R243 VanDerWaalsContact OD1-CB 3.3Å; D241-R243 WeakPolarHBondContact OD1-CB 3.4Å; D241-R243 WeakPolarHBondContact OD1-CG 3.36Å; D241-R243 PolarHBondContact OD1-N 2.8Å; R243-R262 PolarHBondContact O-NH1 2.95Å
244D74.4Confident80Confident69 Ų6956.6 Ų56.637%0.36930%0.302SS..Hα-helixtrans-95.5-39.3-176.7-65.8-40.1000111.4D241 R262 Q298D241-D244 PolarHBondContact O-N 2.86Å; D241-D244 VanDerWaalsContact O-N 3.13Å; D244-R262 IonicContact OD1-CZ 3.46Å; D244-R262 IonicContact OD1-NH1 3.02Å; D244-R262 IonicContact OD1-NH2 3.5Å; D244-R262 PolarHBondContact OD1-NH2 2.82Å; D244-Q298 WeakPolarHBondContact O-CG 3.4Å; D244-Q298 PolarHBondContact O-OE1 3.03Å
245Y76.6Confident79.6Confident52 Ų5257 Ų5720%0.20431%0.313CS..Hα-helixtrans-108.91.1-174.5-63.7-92.8000114.3L240 D241 Q298 Q299 C353L240-Y245 HydrophobicContact CB-CD2 4.31Å; L240-Y245 HydrophobicContact CB-CG 4.28Å; L240-Y245 HydrophobicContact CD1-CD1 4.5Å; L240-Y245 HydrophobicContact CD1-CG 4.4Å; L240-Y245 HydrophobicContact CD2-CD1 4.07Å; L240-Y245 HydrophobicContact CD2-CD2 3.97Å; L240-Y245 HydrophobicContact CD2-CE1 4.19Å; L240-Y245 HydrophobicContact CD2-CE2 4.1Å; L240-Y245 HydrophobicContact CD2-CG 3.96Å; L240-Y245 HydrophobicContact CG-CG 4.43Å; D241-Y245 PolarHBondContact O-N 2.9Å; Y245-Q298 HydrophobicContact CD1-CB 3.79Å; Y245-Q298 HydrophobicContact CE1-CB 4.18Å; Y245-Q298 HydrophobicContact CG-CB 4.46Å; Y245-Q299 WeakPolarHBondContact CE1-O 3.49Å; Y245-C353 WeakPolarHBondContact O-CB 3.34Å
246G80Confident79.3Confident5 Ų562 Ų625%0.05235%0.345CS..SBendtrans-112-171.2179.400000113.1L242L242-G246 CarbonylContact O-C 3.57Å; L242-G246 WeakPolarHBondContact O-CA 3.46Å; L242-G246 PolarHBondContact O-N 3.44Å
247A83.5Confident79Confident30 Ų3063.6 Ų63.625%0.24836%0.356CS..  trans-84.8142.5-179.800000112G249 C263 C351A247-G249 VanDerWaalsContact C-N 3.28Å; A247-G249 PolarHBondContact O-N 3.36Å; A247-C263 CarbonylContact C-O 3.47Å; A247-C263 WeakPolarHBondContact CA-O 3.47Å; A247-C263 HydrophobicContact CB-CB 4.06Å; A247-C263 VanDerWaalsContact CB-O 3.3Å; A247-C263 WeakPolarHBondContact CB-O 3.2Å; A247-C351 HydrophobicContact CB-CB 4.29Å; A247-C351 WeakPolarHBondContact CB-O 3.26Å
248Q83.1Confident78.9Confident105 Ų10566.3 Ų66.349%0.49137%0.374SS..  trans-83.86.4-177.769171.155.800114.7C263 C264Q248-C263 PolarHBondContact N-O 3.38Å; Q248-C264 HydrophobicContact CG-CB 3.51Å
249G83.7Confident78.5Confident37 Ų3772.8 Ų72.838%0.38141%0.405SS..SBendtrans85.5-133.6-173.200000111.1A247 C264 R265A247-G249 VanDerWaalsContact C-N 3.28Å; A247-G249 PolarHBondContact O-N 3.36Å; G249-C264 CarbonylContact O-C 3.58Å; G249-C264 VanDerWaalsContact O-CA 3.24Å; G249-C264 WeakPolarHBondContact O-CA 3.06Å; G249-R265 PolarHBondContact O-N 2.8Å
250D84.3Confident78.4Confident68 Ų6874 Ų7436%0.36443%0.425SS..BIsolated β-bridgetrans-77.3142.9-179.9-64.6-20000110.9R72 R265R72-D250 IonicContact NH2-OD2 3.98Å; D250-R265 CarbonylContact C-O 3.54Å; D250-R265 WeakPolarHBondContact CA-O 3.46Å; D250-R265 VanDerWaalsContact CG-NH2 3.3Å; D250-R265 IonicContact OD1-CZ 3.26Å; D250-R265 IonicContact OD1-NE 2.82Å; D250-R265 PolarHBondContact OD1-NE 2.92Å; D250-R265 IonicContact OD1-NH2 3Å; D250-R265 PolarHBondContact OD1-NH2 3.34Å; D250-R265 IonicContact OD2-NH2 3.76Å; D250-R265 PolarHBondContact OD2-NH2 2.61Å
251C85.8Confident78.8Confident22 Ų2275 Ų7515%0.14943%0.431CS..PPolyproline II helixtrans-70.2152175.3-53.10000110.5P253 C264 R265 Q266 V294C251-P253 WeakPolarHBondContact O-CD 3.47Å; C251-C264 VanDerWaalsContact CA-SG 3.59Å; C251-C264 HydrophobicContact CB-CB 3.96Å; C251-C264 WeakPolarHBondContact CB-SG 3.47Å; C251-C264 WeakPolarHBondContact SG-CB 3.5Å; C251-C264 CovalentContact SG-SG 2.02Å; C251-C264 PolarHBondContact SG-SG 2.68Å; C251-R265 PolarHBondContact N-O 3.29Å; C251-Q266 PolarHBondContact SG-N 3.22Å; C251-V294 VanDerWaalsContact SG-CG2 3.53Å
252D81.2Confident79.3Confident89 Ų8976.8 Ų76.848%0.47644%0.435SS..PPolyproline II helixtrans-73.6119168.9-173.5-15.2000109E254 A255D252-E254 PolarHBondContact O-N 2.92Å; D252-E254 PolarHBondContact OD1-N 3.44Å; D252-A255 HydrophobicContact CB-CB 4.06Å; D252-A255 PolarHBondContact O-N 2.88Å
253P75.3Confident80Confident123 Ų12373.6 Ų73.680%0.79942%0.418SS*.THydrogen-bonded Turntrans-66.2-19.9-177.927.6-35.7000113.5C251C251-P253 WeakPolarHBondContact O-CD 3.47Å
254E76.1Confident80.6Confident179 Ų17968.7 Ų68.784%0.83640%0.399SS*.THydrogen-bonded Turntrans-88-15.7-179.4-60.7-172.917700112.7D252D252-E254 PolarHBondContact O-N 2.92Å; D252-E254 PolarHBondContact OD1-N 3.44Å
255A77.2Confident81.3Confident53 Ų5366 Ų6644%0.43838%0.384SS..SBendtrans-98128.5-178.800000111.4D252D252-A255 HydrophobicContact CB-CB 4.06Å; D252-A255 PolarHBondContact O-N 2.88Å
256P78.2Confident81.7Confident105 Ų10567.1 Ų67.168%0.68239%0.391SS*.PPolyproline II helixtrans-66.3138.9175.126.7-32.4000110.9T258P256-T258 PolarHBondContact O-N 3.48Å
257V78.7Confident81.8Confident62 Ų6273.1 Ų73.138%0.37642%0.418SS..PPolyproline II helixtrans-69.9118172-1760000108.1T261 V294V257-T261 HydrophobicContact CG1-CG2 4.34Å; V257-V294 HydrophobicContact CG1-CB 4.28Å; V257-V294 HydrophobicContact CG1-CG2 4.12Å; V257-V294 HydrophobicContact CG2-CG2 3.96Å
258T80.4Confident81.7Confident84 Ų8473.8 Ų73.852%0.51542%0.417SS..  trans-121.8172.6178.860.50000109.7P256 G260 T261P256-T258 PolarHBondContact O-N 3.48Å; T258-G260 PolarHBondContact O-N 2.82Å; T258-G260 VanDerWaalsContact O-N 3.09Å; T258-T261 PolarHBondContact N-OG1 2.88Å; T258-T261 WeakPolarHBondContact O-CB 2.98Å; T258-T261 PolarHBondContact O-N 3.2Å; T258-T261 PolarHBondContact O-OG1 3.12Å; T258-T261 PolarHBondContact OG1-OG1 3.37Å
259E69.6Low81.7Confident181 Ų18175 Ų7585%0.84642%0.418SS*.THydrogen-bonded Turntrans-58.3-24.6178.9-65.5-17616500113.4T296E259-T296 PolarHBondContact O-OG1 3.05Å; E259-T296 VanDerWaalsContact O-OG1 3.11Å
260G74.5Confident81.7Confident65 Ų6573.9 Ų73.967%0.6740%0.402SS*.THydrogen-bonded Turntrans-87.3-3.3176.400000115.2T258 R262T258-G260 PolarHBondContact O-N 2.82Å; T258-G260 VanDerWaalsContact O-N 3.09Å; G260-R262 PolarHBondContact O-N 2.91Å
261T83.9Confident81.6Confident28 Ų2874 Ų7417%0.17240%0.403CS..  trans-70121.2-179.7-59.50000109.9V257 T258 G295 T296V257-T261 HydrophobicContact CG1-CG2 4.34Å; T258-T261 PolarHBondContact N-OG1 2.88Å; T258-T261 WeakPolarHBondContact O-CB 2.98Å; T258-T261 PolarHBondContact O-N 3.2Å; T258-T261 PolarHBondContact O-OG1 3.12Å; T258-T261 PolarHBondContact OG1-OG1 3.37Å; T261-G295 CarbonylContact O-C 3.47Å; T261-G295 VanDerWaalsContact O-CA 3.28Å; T261-G295 WeakPolarHBondContact O-CA 3.31Å; T261-T296 PolarHBondContact O-N 3.34Å
262R87.4Confident81.4Confident85 Ų8573.1 Ų73.132%0.32140%0.397SS..BIsolated β-bridgetrans-63.4144.4174.2-68.6-178171.3-174.6-6.3109.8R243 D244 G260 C264R243-R262 PolarHBondContact O-NH1 2.95Å; D244-R262 IonicContact OD1-CZ 3.46Å; D244-R262 IonicContact OD1-NH1 3.02Å; D244-R262 IonicContact OD1-NH2 3.5Å; D244-R262 PolarHBondContact OD1-NH2 2.82Å; G260-R262 PolarHBondContact O-N 2.91Å; R262-C264 PolarHBondContact O-N 3.1Å; R262-C264 VanDerWaalsContact O-N 3.12Å
263C91.1Very high81.3Confident0 Ų075.8 Ų75.80%041%0.407CS..SBendtrans-42.6118.2178.6177.60000112A247 Q248 V294 T296 C316A247-C263 CarbonylContact C-O 3.47Å; A247-C263 WeakPolarHBondContact CA-O 3.47Å; A247-C263 HydrophobicContact CB-CB 4.06Å; A247-C263 VanDerWaalsContact CB-O 3.3Å; A247-C263 WeakPolarHBondContact CB-O 3.2Å; Q248-C263 PolarHBondContact N-O 3.38Å; C263-V294 CarbonylContact C-O 3.55Å; C263-V294 VanDerWaalsContact CA-O 3.31Å; C263-V294 WeakPolarHBondContact CA-O 3.49Å; C263-T296 PolarHBondContact N-O 2.85Å; C263-C316 VanDerWaalsContact CA-SG 3.52Å; C263-C316 HydrophobicContact CB-CB 3.66Å; C263-C316 WeakPolarHBondContact CB-SG 3.25Å; C263-C316 VanDerWaalsContact SG-CA 3.54Å; C263-C316 WeakPolarHBondContact SG-CB 3.32Å; C263-C316 CovalentContact SG-SG 2.03Å; C263-C316 PolarHBondContact SG-SG 3.37Å
264C88.4Confident81.5Confident0 Ų072.7 Ų72.70%040%0.397CS..EExtended strand (participates in β ladder)trans-145.3161.3-176.765.20000111.2Q248 G249 C251 R262 C293 V294Q248-C264 HydrophobicContact CG-CB 3.51Å; G249-C264 CarbonylContact O-C 3.58Å; G249-C264 VanDerWaalsContact O-CA 3.24Å; G249-C264 WeakPolarHBondContact O-CA 3.06Å; C251-C264 VanDerWaalsContact CA-SG 3.59Å; C251-C264 HydrophobicContact CB-CB 3.96Å; C251-C264 WeakPolarHBondContact CB-SG 3.47Å; C251-C264 WeakPolarHBondContact SG-CB 3.5Å; C251-C264 CovalentContact SG-SG 2.02Å; C251-C264 PolarHBondContact SG-SG 2.68Å; R262-C264 PolarHBondContact O-N 3.1Å; R262-C264 VanDerWaalsContact O-N 3.12Å; C264-C293 WeakPolarHBondContact O-CA 3.49Å; C264-V294 PolarHBondContact N-O 2.69Å; C264-V294 PolarHBondContact O-N 2.95Å
265R88.2Confident81.9Confident12 Ų1265.9 Ų65.95%0.04537%0.366CS..EExtended strand (participates in β ladder)trans-94.5112.6178.1-171.2176.364142.28.3109.3G249 D250 C251 Y291 E292 V348 Q349 C351G249-R265 PolarHBondContact O-N 2.8Å; D250-R265 CarbonylContact C-O 3.54Å; D250-R265 WeakPolarHBondContact CA-O 3.46Å; D250-R265 VanDerWaalsContact CG-NH2 3.3Å; D250-R265 IonicContact OD1-CZ 3.26Å; D250-R265 IonicContact OD1-NE 2.82Å; D250-R265 PolarHBondContact OD1-NE 2.92Å; D250-R265 IonicContact OD1-NH2 3Å; D250-R265 PolarHBondContact OD1-NH2 3.34Å; D250-R265 IonicContact OD2-NH2 3.76Å; D250-R265 PolarHBondContact OD2-NH2 2.61Å; C251-R265 PolarHBondContact N-O 3.29Å; R265-Y291 HydrophobicContact CG-CD1 3.92Å; R265-Y291 HydrophobicContact CG-CG 4.16Å; R265-E292 CarbonylContact C-O 3.6Å; R265-E292 VanDerWaalsContact CA-O 3.32Å; R265-E292 WeakPolarHBondContact CA-O 3.49Å; R265-V348 WeakPolarHBondContact CD-O 3.45Å; R265-V348 HydrophobicContact CG-CG1 4.23Å; R265-V348 PolarHBondContact NH1-O 2.92Å; R265-Q349 PolarHBondContact NH1-O 2.87Å; R265-C351 VanDerWaalsContact CB-SG 3.55Å
266Q84.6Confident82.3Confident76 Ų7673 Ų7336%0.35539%0.387SS..EExtended strand (participates in β ladder)trans-91.9142.1178.1-169.8169.613.500110.5C251 M268 Y291 E292 V294C251-Q266 PolarHBondContact SG-N 3.22Å; Q266-M268 PolarHBondContact O-N 2.85Å; Q266-Y291 CarbonylContact O-C 3.56Å; Q266-Y291 WeakPolarHBondContact O-CA 3.24Å; Q266-Y291 WeakPolarHBondContact O-CB 3.05Å; Q266-E292 PolarHBondContact N-O 2.95Å; Q266-E292 PolarHBondContact O-N 2.99Å; Q266-V294 HydrophobicContact CB-CG1 4.31Å; Q266-V294 HydrophobicContact CB-CG2 3.86Å
267E82.6Confident82.6Confident131 Ų13170.1 Ų70.161%0.61236%0.362SS*.  trans-70.3128.3173.3-69-170.6171.800110.6Y291E267-Y291 HydrophobicContact CG-CD1 3.98Å; E267-Y291 HydrophobicContact CG-CE1 3.62Å
268M82.4Confident82.9Confident45 Ų4567.3 Ų67.322%0.22235%0.346CS..  trans-135.9121.2175.1-179.7-170.1-72.600108.1A21 Q266 L289 A290 Y291 E292A21-M268 HydrophobicContact CB-CE 3.77Å; Q266-M268 PolarHBondContact O-N 2.85Å; M268-L289 CarbonylContact O-C 3.48Å; M268-L289 WeakPolarHBondContact O-CA 3.17Å; M268-A290 PolarHBondContact O-N 2.84Å; M268-Y291 PolarHBondContact O-N 3.24Å; M268-E292 HydrophobicContact CE-CB 3.8Å; M268-E292 HydrophobicContact CE-CG 4.33Å; M268-E292 WeakPolarHBondContact CE-OE2 3.47Å
269Y82.8Confident82.8Confident131 Ų13167.6 Ų67.651%0.51434%0.344SS..EExtended strand (participates in β ladder)trans-99.8129.9176.9-175.5-101.3000110.3D271 G287 F288 L289Y269-D271 HydrophobicContact CD1-CB 4.27Å; Y269-D271 HydrophobicContact CE1-CB 3.82Å; Y269-G287 WeakPolarHBondContact OH-CA 3.01Å; Y269-F288 WeakPolarHBondContact CD2-O 3.41Å; Y269-L289 HydrophobicContact CD2-CD2 4Å; Y269-L289 HydrophobicContact CD2-CG 4.32Å
270I82.5Confident83.2Confident12 Ų1261.8 Ų61.86%0.06232%0.319CS..EExtended strand (participates in β ladder)trans-106112.6173.9-60.9-175.8000107.6M22 L272 M275 G287 F288 A290M22-I270 HydrophobicContact CB-CD1 4.35Å; I270-L272 HydrophobicContact CG2-CD2 3.93Å; I270-M275 HydrophobicContact CG2-CE 3.43Å; I270-M275 VanDerWaalsContact CG2-CE 3.43Å; I270-G287 CarbonylContact O-C 3.52Å; I270-G287 WeakPolarHBondContact O-CA 3.49Å; I270-F288 HydrophobicContact CB-CD1 4.31Å; I270-F288 HydrophobicContact CB-CE1 3.91Å; I270-F288 HydrophobicContact CB-CZ 4.16Å; I270-F288 HydrophobicContact CD1-CE1 4.33Å; I270-F288 HydrophobicContact CD1-CE2 4.31Å; I270-F288 HydrophobicContact CD1-CZ 3.77Å; I270-F288 HydrophobicContact CG1-CZ 4.39Å; I270-F288 HydrophobicContact CG2-CE1 4.02Å; I270-F288 HydrophobicContact CG2-CZ 4.48Å; I270-F288 PolarHBondContact N-O 2.88Å; I270-F288 PolarHBondContact O-N 3.05Å; I270-A290 HydrophobicContact CD1-CB 3.66Å; I270-A290 HydrophobicContact CG1-CB 4.03Å
271D82.1Confident83.7Confident71 Ų7158.7 Ų58.738%0.3829%0.287SS..EExtended strand (participates in β ladder)trans-87.2111174.2-179.214.9000110Y269 Q273 G274 M275Y269-D271 HydrophobicContact CD1-CB 4.27Å; Y269-D271 HydrophobicContact CE1-CB 3.82Å; D271-Q273 PolarHBondContact OD1-N 3.46Å; D271-Q273 VanDerWaalsContact OD1-N 3.13Å; D271-G274 PolarHBondContact OD1-N 3.46Å; D271-G274 PolarHBondContact OD2-N 2.89Å; D271-M275 WeakPolarHBondContact O-CE 3.44Å; D271-M275 WeakPolarHBondContact O-CG 3.44Å
272L82.2Confident83.9Confident3 Ų358.3 Ų58.32%0.01629%0.285CS..SBendtrans-85-30179.6-59.2172.9000111.4L27 I270 G274 M275 W277 A278 V282 P285 P286 F288 M326L27-L272 HydrophobicContact CD2-CD2 3.23Å; L27-L272 HydrophobicContact CD2-CG 4.48Å; I270-L272 HydrophobicContact CG2-CD2 3.93Å; L272-G274 VanDerWaalsContact C-N 3.26Å; L272-G274 PolarHBondContact O-N 2.77Å; L272-M275 HydrophobicContact CD2-CE 4.24Å; L272-M275 HydrophobicContact CD2-SD 4.15Å; L272-M275 WeakPolarHBondContact O-CB 3.45Å; L272-M275 PolarHBondContact O-N 2.82Å; L272-W277 HydrophobicContact CD2-CZ2 4.46Å; L272-A278 HydrophobicContact CB-CB 4.34Å; L272-A278 WeakPolarHBondContact O-CB 3.46Å; L272-V282 HydrophobicContact CD1-CG1 4.28Å; L272-P285 HydrophobicContact CD1-CG 4.46Å; L272-P285 WeakPolarHBondContact CD1-O 3.45Å; L272-P286 WeakPolarHBondContact CA-O 3.39Å; L272-P286 WeakPolarHBondContact CB-O 3.48Å; L272-P286 PolarHBondContact N-O 3.45Å; L272-F288 HydrophobicContact CD1-CD1 4.13Å; L272-F288 HydrophobicContact CD1-CE1 4.25Å; L272-F288 HydrophobicContact CD2-CE1 4.46Å; L272-M326 HydrophobicContact CD1-CE 3.78Å
273Q79.4Confident83.8Confident145 Ų14556.5 Ų56.568%0.67828%0.281SS*.THydrogen-bonded Turntrans-65.2-33.3176.1-70.8-173.8-25.400112D271 M275 P286D271-Q273 PolarHBondContact OD1-N 3.46Å; D271-Q273 VanDerWaalsContact OD1-N 3.13Å; Q273-M275 PolarHBondContact O-N 2.79Å; Q273-P286 VanDerWaalsContact CD-CB 3.43Å; Q273-P286 HydrophobicContact CG-CB 3.68Å; Q273-P286 PolarHBondContact N-O 2.8Å; Q273-P286 VanDerWaalsContact N-O 3.1Å; Q273-P286 VanDerWaalsContact NE2-CB 3.34Å
274G78.4Confident83.6Confident58 Ų5860 Ų6060%0.59830%0.297SS*.THydrogen-bonded Turntrans-68.5-11173.100000114.7D271 L272D271-G274 PolarHBondContact OD1-N 3.46Å; D271-G274 PolarHBondContact OD2-N 2.89Å; L272-G274 VanDerWaalsContact C-N 3.26Å; L272-G274 PolarHBondContact O-N 2.77Å
275M84.9Confident83.6Confident37 Ų3760.6 Ų60.618%0.18230%0.301CS..  trans-95.6124.2-176.2-59.6-171.4-167.700112.5I270 D271 L272 Q273 W277 A278 D279I270-M275 HydrophobicContact CG2-CE 3.43Å; I270-M275 VanDerWaalsContact CG2-CE 3.43Å; D271-M275 WeakPolarHBondContact O-CE 3.44Å; D271-M275 WeakPolarHBondContact O-CG 3.44Å; L272-M275 HydrophobicContact CD2-CE 4.24Å; L272-M275 HydrophobicContact CD2-SD 4.15Å; L272-M275 WeakPolarHBondContact O-CB 3.45Å; L272-M275 PolarHBondContact O-N 2.82Å; Q273-M275 PolarHBondContact O-N 2.79Å; M275-W277 PolarHBondContact O-N 2.79Å; M275-W277 VanDerWaalsContact O-N 3.15Å; M275-W277 HydrophobicContact SD-CZ2 3.74Å; M275-W277 PolarHBondContact SD-NE1 2.9Å; M275-A278 HydrophobicContact CB-CB 4.1Å; M275-A278 PolarHBondContact O-N 3.31Å; M275-A278 VanDerWaalsContact O-N 3.1Å; M275-D279 PolarHBondContact O-N 2.95Å
276K85.1Confident83.3Confident203 Ų20362.5 Ų62.588%0.88332%0.315SS*.THydrogen-bonded Turntrans-58.4-30.6-179-65.5-175179.7179.70114.8
277W86.4Confident83.2Confident44 Ų4459.5 Ų59.517%0.16730%0.304CS..THydrogen-bonded Turntrans-81.9-26.2-178.866.6-99.1000112.6L27 L28 V40 L272 M275 W281 V282L27-W277 HydrophobicContact CD2-CH2 3.91Å; L27-W277 HydrophobicContact CD2-CZ2 4Å; L27-W277 HydrophobicContact CG-CH2 4.37Å; L28-W277 HydrophobicContact CB-CD2 4.13Å; L28-W277 HydrophobicContact CB-CE3 4.39Å; L28-W277 HydrophobicContact CB-CH2 4.28Å; L28-W277 HydrophobicContact CB-CZ2 4Å; L28-W277 HydrophobicContact CB-CZ3 4.47Å; L28-W277 HydrophobicContact CD1-CD2 3.92Å; L28-W277 HydrophobicContact CD1-CE3 3.64Å; L28-W277 HydrophobicContact CD1-CG 4.39Å; L28-W277 HydrophobicContact CD1-CZ3 4.07Å; L28-W277 HydrophobicContact CD2-CB 4.41Å; L28-W277 HydrophobicContact CD2-CD2 4.28Å; L28-W277 HydrophobicContact CD2-CG 4.08Å; L28-W277 HydrophobicContact CG-CD2 4.33Å; L28-W277 HydrophobicContact CG-CE3 4.48Å; V40-W277 HydrophobicContact CG2-CB 4.34Å; L272-W277 HydrophobicContact CD2-CZ2 4.46Å; M275-W277 PolarHBondContact O-N 2.79Å; M275-W277 VanDerWaalsContact O-N 3.15Å; M275-W277 HydrophobicContact SD-CZ2 3.74Å; M275-W277 PolarHBondContact SD-NE1 2.9Å; W277-W281 AromaticContact CE3-CE3 3.67Å; W277-W281 HydrophobicContact CE3-CE3 3.67Å; W277-W281 AromaticContact CE3-CZ3 3.66Å; W277-W281 HydrophobicContact CE3-CZ3 3.66Å; W277-W281 AromaticContact CZ3-CE3 3.87Å; W277-W281 HydrophobicContact CZ3-CE3 3.87Å; W277-W281 AromaticContact CZ3-CZ3 3.77Å; W277-W281 HydrophobicContact CZ3-CZ3 3.77Å; W277-V282 HydrophobicContact CZ3-CG2 4.1Å
278A83.8Confident83.3Confident3 Ų354.1 Ų54.13%0.02528%0.279CS..THydrogen-bonded Turntrans-88.4-24.1-179.100000111.4L272 M275 N280 W281 V282L272-A278 HydrophobicContact CB-CB 4.34Å; L272-A278 WeakPolarHBondContact O-CB 3.46Å; M275-A278 HydrophobicContact CB-CB 4.1Å; M275-A278 PolarHBondContact O-N 3.31Å; M275-A278 VanDerWaalsContact O-N 3.1Å; A278-N280 PolarHBondContact O-N 3.37Å; A278-W281 PolarHBondContact O-N 2.9Å; A278-W281 VanDerWaalsContact O-N 3.1Å; A278-V282 HydrophobicContact CB-CB 4.2Å; A278-V282 HydrophobicContact CB-CG2 3.85Å; A278-V282 PolarHBondContact O-N 3.03Å
279D78.8Confident83.3Confident90 Ų9055.1 Ų55.148%0.48129%0.285SS..THydrogen-bonded Turntrans-45.1127.8169.5-174.730.5000109.4M275 W281M275-D279 PolarHBondContact O-N 2.95Å; D279-W281 PolarHBondContact O-N 2.84Å
280N77.1Confident83.3Confident59 Ų5948.9 Ų48.932%0.31626%0.261SS..THydrogen-bonded Turntrans66.3-13.7177.1-64.3-45.4000116.8P43 M48 A278 S329P43-N280 HydrophobicContact CG-CB 3.76Å; P43-N280 WeakPolarHBondContact CG-O 3.43Å; M48-N280 HydrophobicContact CE-CB 3.38Å; M48-N280 WeakPolarHBondContact CE-OD1 3.49Å; M48-N280 HydrophobicContact SD-CB 3.34Å; M48-N280 WeakPolarHBondContact SD-CB 3.34Å; M48-N280 VanDerWaalsContact SD-O 3.37Å; A278-N280 PolarHBondContact O-N 3.37Å; N280-S329 PolarHBondContact O-OG 3.02Å
281W85.8Confident83.5Confident0 Ų049.8 Ų49.80%026%0.263CS..THydrogen-bonded Turntrans-100.3-41179.7-177.134000113.2L28 L31 L32 L35 L37 V40 P41 W277 A278 D279 V328 S329L28-W281 HydrophobicContact CD1-CH2 4.32Å; L28-W281 HydrophobicContact CD1-CZ3 3.73Å; L31-W281 HydrophobicContact CD2-CE3 4.29Å; L31-W281 HydrophobicContact CD2-CH2 3.03Å; L31-W281 HydrophobicContact CD2-CZ2 3.26Å; L31-W281 HydrophobicContact CD2-CZ3 3.58Å; L31-W281 HydrophobicContact CG-CH2 4.5Å; L32-W281 HydrophobicContact CD2-CH2 3.8Å; L32-W281 HydrophobicContact CG-CH2 4.37Å; L35-W281 HydrophobicContact CD1-CZ2 3.96Å; L37-W281 HydrophobicContact CD1-CZ2 4.12Å; V40-W281 HydrophobicContact CB-CZ3 4.29Å; V40-W281 HydrophobicContact CG1-CD2 4.14Å; V40-W281 HydrophobicContact CG1-CE3 3.61Å; V40-W281 HydrophobicContact CG1-CZ3 3.84Å; V40-W281 HydrophobicContact CG2-CE3 4.43Å; V40-W281 HydrophobicContact CG2-CH2 4.43Å; V40-W281 HydrophobicContact CG2-CZ3 3.86Å; P41-W281 VanDerWaalsContact CD-CE2 3.48Å; P41-W281 VanDerWaalsContact CD-CZ2 3.41Å; P41-W281 HydrophobicContact CG-CZ2 4.04Å; W277-W281 AromaticContact CE3-CE3 3.67Å; W277-W281 HydrophobicContact CE3-CE3 3.67Å; W277-W281 AromaticContact CE3-CZ3 3.66Å; W277-W281 HydrophobicContact CE3-CZ3 3.66Å; W277-W281 AromaticContact CZ3-CE3 3.87Å; W277-W281 HydrophobicContact CZ3-CE3 3.87Å; W277-W281 AromaticContact CZ3-CZ3 3.77Å; W277-W281 HydrophobicContact CZ3-CZ3 3.77Å; A278-W281 PolarHBondContact O-N 2.9Å; A278-W281 VanDerWaalsContact O-N 3.1Å; D279-W281 PolarHBondContact O-N 2.84Å; W281-V328 CarbonylContact O-C 3.45Å; W281-V328 VanDerWaalsContact O-CA 3.3Å; W281-V328 WeakPolarHBondContact O-CA 3.47Å; W281-S329 PolarHBondContact NE1-O 2.91Å; W281-S329 PolarHBondContact O-N 2.76Å; W281-S329 PolarHBondContact O-OG 2.76Å
282V87.3Confident83.7Confident20 Ų2048.4 Ų48.412%0.12126%0.255CS..EExtended strand (participates in β ladder)trans-94.1115.2175.7-179.40000108.5L272 W277 A278 M326 V328L272-V282 HydrophobicContact CD1-CG1 4.28Å; W277-V282 HydrophobicContact CZ3-CG2 4.1Å; A278-V282 HydrophobicContact CB-CB 4.2Å; A278-V282 HydrophobicContact CB-CG2 3.85Å; A278-V282 PolarHBondContact O-N 3.03Å; V282-M326 HydrophobicContact CB-CE 4.4Å; V282-M326 HydrophobicContact CG1-CE 3.53Å; V282-M326 HydrophobicContact CG2-CE 3.89Å; V282-V328 HydrophobicContact CG2-CG1 4.35Å
283L86.3Confident84.1Confident47 Ų4749.1 Ų49.125%0.24626%0.259CS..EExtended strand (participates in β ladder)trans-88.1-39.4179.4-54.8178.1000111.6L51 I53 I327 P338L51-L283 HydrophobicContact CD2-CD1 3.64Å; L51-L283 HydrophobicContact CD2-CD2 3.96Å; L51-L283 HydrophobicContact CD2-CG 4.42Å; I53-L283 HydrophobicContact CD1-CB 4.2Å; I53-L283 HydrophobicContact CD1-CD1 4.48Å; I53-L283 HydrophobicContact CG1-CD1 4.21Å; L283-I327 HydrophobicContact CB-CB 4.36Å; L283-I327 HydrophobicContact CB-CG2 4.22Å; L283-I327 HydrophobicContact CD1-CG2 4.11Å; L283-I327 PolarHBondContact N-O 2.97Å; L283-P338 HydrophobicContact CD1-CB 3.8Å
284E85.8Confident84.6Confident73 Ų7343.2 Ų43.234%0.34123%0.233SC..EExtended strand (participates in β ladder)trans-148.2146.3178.1-68.9-69.2179.100111I53 Y61 P286 M326 I327I53-E284 HydrophobicContact CD1-CG 4.09Å; Y61-E284 HydrophobicContact CE1-CB 4.37Å; Y61-E284 HydrophobicContact CE2-CB 4.39Å; E284-P286 WeakPolarHBondContact OE2-CD 3.49Å; E284-M326 CarbonylContact O-C 3.55Å; E284-M326 VanDerWaalsContact O-CA 3.24Å; E284-M326 WeakPolarHBondContact O-CA 3.49Å; E284-I327 HydrophobicContact CB-CB 4.02Å; E284-I327 HydrophobicContact CB-CD1 4.02Å; E284-I327 HydrophobicContact CB-CG1 3.98Å; E284-I327 HydrophobicContact CG-CD1 4.07Å; E284-I327 PolarHBondContact N-O 3Å; E284-I327 PolarHBondContact O-N 2.82Å
285P89.6Confident85.1Confident13 Ų1341.7 Ų41.78%0.08422%0.218CC..  cis-77.5163.8-11.934-34.1000111.9L272 G287 F288 L324L272-P285 HydrophobicContact CD1-CG 4.46Å; L272-P285 WeakPolarHBondContact CD1-O 3.45Å; P285-G287 PolarHBondContact O-N 3.46Å; P285-F288 HydrophobicContact CG-CB 4.48Å; P285-L324 HydrophobicContact CG-CD1 4.44Å
286P82.4Confident85.3Confident52 Ų5243.6 Ų43.634%0.33823%0.231SC..SBendtrans-68.4-22.5172.428.5-36.6000113.4L272 Q273 E284L272-P286 WeakPolarHBondContact CA-O 3.39Å; L272-P286 WeakPolarHBondContact CB-O 3.48Å; L272-P286 PolarHBondContact N-O 3.45Å; Q273-P286 VanDerWaalsContact CD-CB 3.43Å; Q273-P286 HydrophobicContact CG-CB 3.68Å; Q273-P286 PolarHBondContact N-O 2.8Å; Q273-P286 VanDerWaalsContact N-O 3.1Å; Q273-P286 VanDerWaalsContact NE2-CB 3.34Å; E284-P286 WeakPolarHBondContact OE2-CD 3.49Å
287G82.5Confident85.4Confident12 Ų1234.5 Ų34.512%0.12419%0.193CC..EExtended strand (participates in β ladder)trans-179.3169.8175.200000110.2Y269 I270 P285Y269-G287 WeakPolarHBondContact OH-CA 3.01Å; I270-G287 CarbonylContact O-C 3.52Å; I270-G287 WeakPolarHBondContact O-CA 3.49Å; P285-G287 PolarHBondContact O-N 3.46Å
288F83.6Confident85.4Confident18 Ų1836.2 Ų36.28%0.07920%0.203CC..EExtended strand (participates in β ladder)trans-155.9158.8-175.969.9-79.7000113.1L27 Y269 I270 L272 P285 A290 L324L27-F288 HydrophobicContact CD1-CE1 4.33Å; L27-F288 HydrophobicContact CD1-CZ 4.1Å; L27-F288 HydrophobicContact CD2-CE1 4.28Å; Y269-F288 WeakPolarHBondContact CD2-O 3.41Å; I270-F288 HydrophobicContact CB-CD1 4.31Å; I270-F288 HydrophobicContact CB-CE1 3.91Å; I270-F288 HydrophobicContact CB-CZ 4.16Å; I270-F288 HydrophobicContact CD1-CE1 4.33Å; I270-F288 HydrophobicContact CD1-CE2 4.31Å; I270-F288 HydrophobicContact CD1-CZ 3.77Å; I270-F288 HydrophobicContact CG1-CZ 4.39Å; I270-F288 HydrophobicContact CG2-CE1 4.02Å; I270-F288 HydrophobicContact CG2-CZ 4.48Å; I270-F288 PolarHBondContact N-O 2.88Å; I270-F288 PolarHBondContact O-N 3.05Å; L272-F288 HydrophobicContact CD1-CD1 4.13Å; L272-F288 HydrophobicContact CD1-CE1 4.25Å; L272-F288 HydrophobicContact CD2-CE1 4.46Å; P285-F288 HydrophobicContact CG-CB 4.48Å; F288-A290 HydrophobicContact CD2-CB 4.28Å; F288-A290 HydrophobicContact CE2-CB 3.66Å; F288-A290 HydrophobicContact CZ-CB 4.37Å; F288-A290 PolarHBondContact O-N 2.82Å; F288-L324 HydrophobicContact CB-CD1 4.22Å; F288-L324 HydrophobicContact CD1-CD1 4.39Å; F288-L324 HydrophobicContact CD1-CD2 3.63Å; F288-L324 HydrophobicContact CD2-CD1 4.09Å; F288-L324 HydrophobicContact CD2-CD2 4.01Å; F288-L324 HydrophobicContact CE1-CD2 3.41Å; F288-L324 VanDerWaalsContact CE1-CD2 3.41Å; F288-L324 HydrophobicContact CE2-CD2 3.8Å; F288-L324 HydrophobicContact CG-CD1 3.98Å; F288-L324 HydrophobicContact CG-CD2 3.93Å; F288-L324 HydrophobicContact CZ-CD2 3.5Å
289L82.3Confident85.4Confident66 Ų6640.3 Ų40.335%0.34622%0.222SC..EExtended strand (participates in β ladder)trans-83.7110.6170.8-67169.2000109.8M268 Y269 Y291 R347M268-L289 CarbonylContact O-C 3.48Å; M268-L289 WeakPolarHBondContact O-CA 3.17Å; Y269-L289 HydrophobicContact CD2-CD2 4Å; Y269-L289 HydrophobicContact CD2-CG 4.32Å; L289-Y291 HydrophobicContact CB-CD2 4.05Å; L289-Y291 HydrophobicContact CB-CE2 3.52Å; L289-Y291 HydrophobicContact CD1-CE2 4.39Å; L289-R347 WeakPolarHBondContact O-CD 3.33Å; L289-R347 VanDerWaalsContact O-CG 3.26Å; L289-R347 WeakPolarHBondContact O-CG 3.42Å
290A83.4Confident85.1Confident1 Ų137.6 Ų37.61%0.00821%0.209CC..  trans-84.9-37177.600000111.9M268 I270 F288 R347 V348M268-A290 PolarHBondContact O-N 2.84Å; I270-A290 HydrophobicContact CD1-CB 3.66Å; I270-A290 HydrophobicContact CG1-CB 4.03Å; F288-A290 HydrophobicContact CD2-CB 4.28Å; F288-A290 HydrophobicContact CE2-CB 3.66Å; F288-A290 HydrophobicContact CZ-CB 4.37Å; F288-A290 PolarHBondContact O-N 2.82Å; A290-R347 CarbonylContact O-C 3.57Å; A290-R347 WeakPolarHBondContact O-CA 3.49Å; A290-V348 PolarHBondContact O-N 3.28Å
291Y86.3Confident84.7Confident31 Ų3137.7 Ų37.712%0.12221%0.213CC..  trans59.8155-169.8-56.2-102.4000113.7R265 Q266 E267 M268 L289 R347 V348R265-Y291 HydrophobicContact CG-CD1 3.92Å; R265-Y291 HydrophobicContact CG-CG 4.16Å; Q266-Y291 CarbonylContact O-C 3.56Å; Q266-Y291 WeakPolarHBondContact O-CA 3.24Å; Q266-Y291 WeakPolarHBondContact O-CB 3.05Å; E267-Y291 HydrophobicContact CG-CD1 3.98Å; E267-Y291 HydrophobicContact CG-CE1 3.62Å; M268-Y291 PolarHBondContact O-N 3.24Å; L289-Y291 HydrophobicContact CB-CD2 4.05Å; L289-Y291 HydrophobicContact CB-CE2 3.52Å; L289-Y291 HydrophobicContact CD1-CE2 4.39Å; Y291-R347 HydrophobicContact CD2-CG 4.09Å; Y291-R347 HydrophobicContact CE2-CG 4.48Å; Y291-V348 WeakPolarHBondContact O-CG2 3.03Å
292E87.5Confident83.6Confident42 Ų4246.4 Ų46.420%0.19625%0.254CS..EExtended strand (participates in β ladder)trans-134.9148.6177.5-177.2174.2-158.600110.9A21 R265 Q266 M268 V294A21-E292 WeakPolarHBondContact CA-OE1 3.34Å; A21-E292 WeakPolarHBondContact CB-OE1 3.23Å; A21-E292 PolarHBondContact N-OE1 2.82Å; R265-E292 CarbonylContact C-O 3.6Å; R265-E292 VanDerWaalsContact CA-O 3.32Å; R265-E292 WeakPolarHBondContact CA-O 3.49Å; Q266-E292 PolarHBondContact N-O 2.95Å; Q266-E292 PolarHBondContact O-N 2.99Å; M268-E292 HydrophobicContact CE-CB 3.8Å; M268-E292 HydrophobicContact CE-CG 4.33Å; M268-E292 WeakPolarHBondContact CE-OE2 3.47Å; E292-V294 HydrophobicContact CB-CG1 4.4Å; E292-V294 HydrophobicContact CG-CG1 3.91Å
293C89.4Confident82.1Confident17 Ų1750.2 Ų50.212%0.11529%0.287CS..EExtended strand (participates in β ladder)trans-91.3118.6170.6-63.40000109.9C264 C351C264-C293 WeakPolarHBondContact O-CA 3.49Å; C293-C351 WeakPolarHBondContact CA-SG 3.1Å; C293-C351 HydrophobicContact CB-CB 3.84Å; C293-C351 WeakPolarHBondContact CB-SG 3.19Å; C293-C351 VanDerWaalsContact SG-CA 3.52Å; C293-C351 WeakPolarHBondContact SG-CB 3.46Å; C293-C351 CovalentContact SG-SG 2.03Å; C293-C351 PolarHBondContact SG-SG 3.24Å
294V89.8Confident80.6Confident21 Ų2150.3 Ų50.313%0.12729%0.288CS..EExtended strand (participates in β ladder)trans-127.6165.7-177.3-58.50000111.1C251 V257 C263 C264 Q266 E292 C316C251-V294 VanDerWaalsContact SG-CG2 3.53Å; V257-V294 HydrophobicContact CG1-CB 4.28Å; V257-V294 HydrophobicContact CG1-CG2 4.12Å; V257-V294 HydrophobicContact CG2-CG2 3.96Å; C263-V294 CarbonylContact C-O 3.55Å; C263-V294 VanDerWaalsContact CA-O 3.31Å; C263-V294 WeakPolarHBondContact CA-O 3.49Å; C264-V294 PolarHBondContact N-O 2.69Å; C264-V294 PolarHBondContact O-N 2.95Å; Q266-V294 HydrophobicContact CB-CG1 4.31Å; Q266-V294 HydrophobicContact CB-CG2 3.86Å; E292-V294 HydrophobicContact CB-CG1 4.4Å; E292-V294 HydrophobicContact CG-CG1 3.91Å; V294-C316 PolarHBondContact O-SG 2.98Å
295G89.5Confident79Confident26 Ų2649.2 Ų49.227%0.26829%0.291SS..SBendtrans91.5-174.9-179.800000113.6T261T261-G295 CarbonylContact O-C 3.47Å; T261-G295 VanDerWaalsContact O-CA 3.28Å; T261-G295 WeakPolarHBondContact O-CA 3.31Å
296T89.1Confident77.2Confident77 Ų7752.4 Ų52.447%0.47231%0.31SS..BIsolated β-bridgetrans-114.4157.3-17360.30000112E259 T261 C263E259-T296 PolarHBondContact O-OG1 3.05Å; E259-T296 VanDerWaalsContact O-OG1 3.11Å; T261-T296 PolarHBondContact O-N 3.34Å; C263-T296 PolarHBondContact N-O 2.85Å
297C87.7Confident75.7Confident12 Ų1259 Ų598%0.08133%0.333CS..  trans-107129.9176.3-70.80000110Q299 R314 C316 C353C297-Q299 PolarHBondContact O-N 3.49Å; C297-Q299 PolarHBondContact O-NE2 2.88Å; C297-R314 HydrophobicContact CB-CB 4.04Å; C297-C316 PolarHBondContact SG-N 2.77Å; C297-C353 HydrophobicContact CB-CB 3.69Å; C297-C353 WeakPolarHBondContact CB-SG 3.33Å; C297-C353 WeakPolarHBondContact SG-CA 3.47Å; C297-C353 WeakPolarHBondContact SG-CB 3.29Å; C297-C353 CovalentContact SG-SG 2.03Å; C297-C353 PolarHBondContact SG-SG 3.04Å
298Q85.3Confident74Confident81 Ų8164.2 Ų64.238%0.37935%0.35SS..PPolyproline II helixtrans-63.3132.4173.2-61.1-163.7-4.700109.6D244 Y245D244-Q298 WeakPolarHBondContact O-CG 3.4Å; D244-Q298 PolarHBondContact O-OE1 3.03Å; Y245-Q298 HydrophobicContact CD1-CB 3.79Å; Y245-Q298 HydrophobicContact CE1-CB 4.18Å; Y245-Q298 HydrophobicContact CG-CB 4.46Å
299Q83.1Confident72.5Confident89 Ų8968.4 Ų68.442%0.41638%0.379SS..PPolyproline II helixtrans-83.5140.2177.9-58.6-55.5-5200109.7Y245 C297 R314Y245-Q299 WeakPolarHBondContact CE1-O 3.49Å; C297-Q299 PolarHBondContact O-N 3.49Å; C297-Q299 PolarHBondContact O-NE2 2.88Å; Q299-R314 PolarHBondContact NE2-O 3.31Å
300P73.6Confident71.2Confident33 Ų3373.5 Ų73.521%0.21440%0.398CS..PPolyproline II helixtrans-61.6154.6177.325.7-33.2000111.3L240 E302L240-P300 HydrophobicContact CD1-CB 4.07Å; L240-P300 HydrophobicContact CD2-CB 4.12Å; P300-E302 PolarHBondContact O-N 3.06Å
301P69.6Low70.2Confident61 Ų6177.2 Ų77.240%0.39642%0.418SS..PPolyproline II helixtrans-55.2138172.9-22.331.5000111.6A303 L304P301-A303 PolarHBondContact O-N 3.4Å; P301-L304 HydrophobicContact CG-CD1 4.47Å; P301-L304 PolarHBondContact O-N 2.84Å
302E61.6Low69.5Low182 Ų18277 Ų7785%0.8543%0.425SS*.G310 helixtrans-57-28-173.2-140.5170.5-172.600113.5P300 L304 A305P300-E302 PolarHBondContact O-N 3.06Å; E302-L304 VanDerWaalsContact C-N 3.31Å; E302-L304 PolarHBondContact O-N 2.91Å; E302-A305 PolarHBondContact O-N 2.81Å
303A55.5Low69.1Low101 Ų10178.8 Ų78.884%0.83544%0.44SS*.G310 helixtrans-70.5-18.7177.500000114.8P301P301-A303 PolarHBondContact O-N 3.4Å
304L54.5Low68.8Low49 Ų4978.5 Ų78.526%0.25744%0.437SS..G310 helixtrans-99.7-7.4178.2-62.3177.9000112.5H238 P301 E302 V306H238-L304 HydrophobicContact CB-CD2 4.26Å; H238-L304 VanDerWaalsContact ND1-CD2 3.31Å; H238-L304 WeakPolarHBondContact ND1-CD2 3.5Å; P301-L304 HydrophobicContact CG-CD1 4.47Å; P301-L304 PolarHBondContact O-N 2.84Å; E302-L304 VanDerWaalsContact C-N 3.31Å; E302-L304 PolarHBondContact O-N 2.91Å; L304-V306 PolarHBondContact O-N 2.85Å
305A53.2Low68.7Low50 Ų5080.2 Ų80.241%0.41344%0.443SS..  trans-85.483.5173.700000108.9E302 K307E302-A305 PolarHBondContact O-N 2.81Å; A305-K307 PolarHBondContact O-N 3.41Å
306V51Low68.6Low79 Ų7979.8 Ų79.848%0.47944%0.436SS..  trans-55.2114.7150.8173.80000105L304 W308L304-V306 PolarHBondContact O-N 2.85Å; V306-W308 PolarHBondContact O-N 3.42Å
307K50.4Low68.6Low190 Ų19077.7 Ų77.783%0.82642%0.422SS*.  trans-61.880.9174.9-74.3-177.8178.4-179.10107.8A305 P309A305-K307 PolarHBondContact O-N 3.41Å; K307-P309 WeakPolarHBondContact O-CD 3.45Å
308W48.5Very low68.6Low122 Ų12279.3 Ų79.346%0.46244%0.435SS..  trans-56118.9157.5-74.998.8000105D179 V306 F310 L311D179-W308 WeakPolarHBondContact OD2-CZ2 3.32Å; V306-W308 PolarHBondContact O-N 3.42Å; W308-F310 PolarHBondContact O-N 2.81Å; W308-L311 HydrophobicContact CB-CB 4.13Å; W308-L311 HydrophobicContact CB-CD1 3.74Å; W308-L311 HydrophobicContact CB-CG 3.83Å; W308-L311 HydrophobicContact CG-CD1 3.84Å; W308-L311 HydrophobicContact CG-CG 4.43Å; W308-L311 PolarHBondContact O-N 2.91Å
309P52.2Low68.5Low106 Ų10677.2 Ų77.269%0.68843%0.43SS*.THydrogen-bonded Turntrans-62.9-2-171.419.9-28.9000113.8K307K307-P309 WeakPolarHBondContact O-CD 3.45Å
310F55Low68.6Low174 Ų17477.8 Ų77.876%0.76343%0.433SS*.THydrogen-bonded Turntrans-123.3-3.2-174.6-48.5-65.7000114.9W308W308-F310 PolarHBondContact O-N 2.81Å
311L62.4Low69.1Low79 Ų7978.9 Ų78.941%0.41444%0.439SS..  trans-97.5114.9-178.9-67.8178000110.6W308 D356 A358W308-L311 HydrophobicContact CB-CB 4.13Å; W308-L311 HydrophobicContact CB-CD1 3.74Å; W308-L311 HydrophobicContact CB-CG 3.83Å; W308-L311 HydrophobicContact CG-CD1 3.84Å; W308-L311 HydrophobicContact CG-CG 4.43Å; W308-L311 PolarHBondContact O-N 2.91Å; L311-D356 WeakPolarHBondContact CA-O 3.47Å; L311-A358 HydrophobicContact CD2-CB 4.22Å
312G70.3Confident69.9Low27 Ų2776.6 Ų76.628%0.27843%0.425SS..  trans-81.3-176.9175.200000112.9D356G312-D356 PolarHBondContact N-O 3.34Å
313P79.3Confident71.1Confident79 Ų7970 Ų7051%0.51340%0.399SS..  trans-60.3152.6178.527.2-34.5000111.3Q315 D356P313-Q315 PolarHBondContact O-N 2.74Å; P313-D356 PolarHBondContact O-N 3.24Å
314R83Confident72.8Confident11 Ų1165.6 Ų65.64%0.04236%0.361CS..EExtended strand (participates in β ladder)trans-68.1130.6175.9-66.2174.46991.2-9.1110.6E112 C297 Q299 C353 A354 S355E112-R314 IonicContact OE1-CZ 2.68Å; E112-R314 IonicContact OE1-NH1 3.93Å; E112-R314 PolarHBondContact OE1-NH1 3.28Å; E112-R314 IonicContact OE1-NH2 3.14Å; E112-R314 IonicContact OE2-CZ 3.31Å; E112-R314 IonicContact OE2-NH1 3.69Å; E112-R314 PolarHBondContact OE2-NH1 3.25Å; E112-R314 IonicContact OE2-NH2 2.78Å; E112-R314 PolarHBondContact OE2-NH2 3.47Å; C297-R314 HydrophobicContact CB-CB 4.04Å; Q299-R314 PolarHBondContact NE2-O 3.31Å; R314-C353 PolarHBondContact NH2-O 3.27Å; R314-A354 CarbonylContact C-O 3.56Å; R314-A354 VanDerWaalsContact CA-O 3.28Å; R314-A354 WeakPolarHBondContact CA-O 3.37Å; R314-S355 WeakPolarHBondContact CG-OG 3.49Å
315Q87.3Confident74.5Confident57 Ų5763.3 Ų63.327%0.26635%0.349SS..EExtended strand (participates in β ladder)trans-119.6152.7179.9-62.5179.517.100110.8P313 I317 C353 A354P313-Q315 PolarHBondContact O-N 2.74Å; Q315-I317 HydrophobicContact CB-CG2 4.29Å; Q315-I317 PolarHBondContact O-N 3.1Å; Q315-C353 WeakPolarHBondContact O-CA 3.02Å; Q315-A354 PolarHBondContact N-O 3.24Å; Q315-A354 PolarHBondContact O-N 3.43Å; Q315-A354 VanDerWaalsContact O-N 3.11Å
316C88.8Confident76.3Confident16 Ų1660.9 Ų60.911%0.10833%0.33CS..EExtended strand (participates in β ladder)trans-80.6112.6175.3-174.20000108.9C263 V294 C297C263-C316 VanDerWaalsContact CA-SG 3.52Å; C263-C316 HydrophobicContact CB-CB 3.66Å; C263-C316 WeakPolarHBondContact CB-SG 3.25Å; C263-C316 VanDerWaalsContact SG-CA 3.54Å; C263-C316 WeakPolarHBondContact SG-CB 3.32Å; C263-C316 CovalentContact SG-SG 2.03Å; C263-C316 PolarHBondContact SG-SG 3.37Å; V294-C316 PolarHBondContact O-SG 2.98Å; C297-C316 PolarHBondContact SG-N 2.77Å
317I88.2Confident78.1Confident34 Ų3457.2 Ų57.217%0.17431%0.307CS..EExtended strand (participates in β ladder)trans-129.3156.9-175.265.6164.3000111.8P18 Q315 S319 C351 S352 A354 V360P18-I317 HydrophobicContact CB-CG2 3.97Å; Q315-I317 HydrophobicContact CB-CG2 4.29Å; Q315-I317 PolarHBondContact O-N 3.1Å; I317-S319 PolarHBondContact O-N 2.86Å; I317-C351 CarbonylContact O-C 3.45Å; I317-C351 WeakPolarHBondContact O-CA 3.41Å; I317-S352 PolarHBondContact N-O 3.18Å; I317-S352 PolarHBondContact O-N 2.81Å; I317-A354 HydrophobicContact CD1-CB 3.63Å; I317-A354 HydrophobicContact CG1-CB 4.07Å; I317-V360 HydrophobicContact CD1-CG2 4.44Å
318A87.9Confident80Confident45 Ų4548.2 Ų48.237%0.37227%0.268SS..EExtended strand (participates in β ladder)trans-71.5107.5169.400000110.1T321 V348A318-T321 HydrophobicContact CB-CG2 3.95Å; A318-V348 HydrophobicContact CB-CG1 4.02Å; A318-V348 HydrophobicContact CB-CG2 4.1Å
319S83.7Confident81.9Confident38 Ų3842.5 Ų42.527%0.26625%0.247SC..EExtended strand (participates in β ladder)trans-79.7-32.2175.747.90000113.3I317 K350 S352I317-S319 PolarHBondContact O-N 2.86Å; S319-K350 PolarHBondContact N-O 3.42Å; S319-K350 PolarHBondContact OG-O 3.28Å; S319-S352 WeakPolarHBondContact CB-OG 3.08Å
320E84.5Confident83.4Confident101 Ų10139 Ų3947%0.47222%0.222SC..EExtended strand (participates in β ladder)trans-134.8128.5-178.4-60.4174.8-157.400108.6Q349 K350E320-Q349 HydrophobicContact CB-CB 4.02Å; E320-Q349 WeakPolarHBondContact O-CA 3.31Å; E320-Q349 WeakPolarHBondContact O-CB 3.38Å; E320-Q349 PolarHBondContact O-N 3.26Å; E320-K350 HydrophobicContact CB-CB 3.83Å; E320-K350 HydrophobicContact CG-CB 4.09Å; E320-K350 HydrophobicContact CG-CD 4.33Å; E320-K350 PolarHBondContact N-O 2.6Å; E320-K350 PolarHBondContact O-N 3.46Å; E320-K350 VanDerWaalsContact O-N 3.13Å; E320-K350 WeakPolarHBondContact OE1-CD 3.27Å; E320-K350 IonicContact OE1-NZ 3.62Å
321T84.6Confident84.6Confident56 Ų5636.4 Ų36.434%0.34421%0.21SC..EExtended strand (participates in β ladder)trans-129.1151.1179.555.30000109.5A318 N345 R347A318-T321 HydrophobicContact CB-CG2 3.95Å; T321-N345 PolarHBondContact OG1-OD1 3.16Å; T321-R347 CarbonylContact C-O 3.47Å; T321-R347 WeakPolarHBondContact CA-O 3.36Å
322A85.5Confident85.1Confident12 Ų1238.4 Ų38.410%0.09922%0.218CC..EExtended strand (participates in β ladder)trans-116151.1175.900000110.3M346 R347 Q349A322-M346 PolarHBondContact O-N 2.86Å; A322-M346 VanDerWaalsContact O-N 3.08Å; A322-R347 HydrophobicContact CB-CB 4.42Å; A322-R347 PolarHBondContact N-O 2.7Å; A322-R347 PolarHBondContact O-N 3.37Å; A322-R347 VanDerWaalsContact O-N 3.08Å; A322-Q349 HydrophobicContact CB-CG 3.8Å
323S88.2Confident84.9Confident44 Ų4441.3 Ų41.331%0.30825%0.247SC..EExtended strand (participates in β ladder)trans-75.7149.417260.60000111.5S68 S342 L343S68-S323 VanDerWaalsContact CB-O 3.3Å; S68-S323 WeakPolarHBondContact CB-O 3.48Å; S323-S342 WeakPolarHBondContact CB-OG 3.23Å; S323-S342 PolarHBondContact OG-OG 3.36Å; S323-L343 CarbonylContact C-O 3.57Å; S323-L343 WeakPolarHBondContact CA-O 3.42Å; S323-L343 VanDerWaalsContact CB-O 3.25Å; S323-L343 WeakPolarHBondContact CB-O 3.38Å
324L89.4Confident84.6Confident9 Ų940.1 Ų40.15%0.04725%0.25CC..EExtended strand (participates in β ladder)trans-105.3110.6174178.469.5000109.4P285 F288 M326 S342 L343 M346P285-L324 HydrophobicContact CG-CD1 4.44Å; F288-L324 HydrophobicContact CB-CD1 4.22Å; F288-L324 HydrophobicContact CD1-CD1 4.39Å; F288-L324 HydrophobicContact CD1-CD2 3.63Å; F288-L324 HydrophobicContact CD2-CD1 4.09Å; F288-L324 HydrophobicContact CD2-CD2 4.01Å; F288-L324 HydrophobicContact CE1-CD2 3.41Å; F288-L324 VanDerWaalsContact CE1-CD2 3.41Å; F288-L324 HydrophobicContact CE2-CD2 3.8Å; F288-L324 HydrophobicContact CG-CD1 3.98Å; F288-L324 HydrophobicContact CG-CD2 3.93Å; F288-L324 HydrophobicContact CZ-CD2 3.5Å; L324-M326 HydrophobicContact CD2-CG 4.02Å; L324-M326 HydrophobicContact CD2-SD 3.95Å; L324-M326 HydrophobicContact CG-CG 3.97Å; L324-S342 WeakPolarHBondContact O-CA 3.41Å; L324-L343 PolarHBondContact N-O 2.92Å; L324-L343 PolarHBondContact O-N 3.22Å; L324-M346 HydrophobicContact CB-CB 3.47Å; L324-M346 VanDerWaalsContact CB-CB 3.47Å; L324-M346 HydrophobicContact CB-CG 3.93Å; L324-M346 HydrophobicContact CD2-CB 4.34Å
325P90.8Very high84.2Confident0 Ų048.1 Ų48.10%028%0.28CS..EExtended strand (participates in β ladder)trans-72.3141166.631.4-33.4000110.2Y61 L64 L65 V341Y61-P325 HydrophobicContact CD2-CB 3.99Å; Y61-P325 HydrophobicContact CD2-CG 4.42Å; Y61-P325 HydrophobicContact CE2-CB 4.12Å; Y61-P325 HydrophobicContact CE2-CG 4.21Å; Y61-P325 WeakPolarHBondContact CE2-O 3.5Å; L64-P325 HydrophobicContact CB-CB 3.72Å; L64-P325 HydrophobicContact CB-CG 4.01Å; L64-P325 HydrophobicContact CD1-CB 4.17Å; L65-P325 HydrophobicContact CB-CG 4.46Å; L65-P325 HydrophobicContact CD2-CG 3.65Å; L65-P325 HydrophobicContact CG-CG 3.75Å; P325-V341 CarbonylContact C-O 3.56Å; P325-V341 VanDerWaalsContact CA-O 3.29Å; P325-V341 WeakPolarHBondContact CA-O 3.39Å
326M90.6Very high83.9Confident0 Ų046.3 Ų46.30%027%0.272CS..EExtended strand (participates in β ladder)trans-137.4150.2178.4-59.4-177.267.900109.3L31 L272 V282 E284 L324 V340 V341 L343L31-M326 HydrophobicContact CD1-CE 4.05Å; L31-M326 HydrophobicContact CD1-SD 3.77Å; L272-M326 HydrophobicContact CD1-CE 3.78Å; V282-M326 HydrophobicContact CB-CE 4.4Å; V282-M326 HydrophobicContact CG1-CE 3.53Å; V282-M326 HydrophobicContact CG2-CE 3.89Å; E284-M326 CarbonylContact O-C 3.55Å; E284-M326 VanDerWaalsContact O-CA 3.24Å; E284-M326 WeakPolarHBondContact O-CA 3.49Å; L324-M326 HydrophobicContact CD2-CG 4.02Å; L324-M326 HydrophobicContact CD2-SD 3.95Å; L324-M326 HydrophobicContact CG-CG 3.97Å; M326-V340 CarbonylContact O-C 3.5Å; M326-V340 WeakPolarHBondContact O-CA 3.43Å; M326-V341 PolarHBondContact N-O 2.97Å; M326-V341 PolarHBondContact O-N 2.88Å; M326-L343 HydrophobicContact SD-CD1 3.5Å; M326-L343 WeakPolarHBondContact SD-CD1 3.41Å; M326-L343 HydrophobicContact SD-CG 4.17Å
327I89.3Confident83.7Confident2 Ų251.9 Ų51.91%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-107.8120.2168.2-53-179.1000106.9I53 V57 Y61 L283 E284 P338 Q339 V340I53-I327 HydrophobicContact CD1-CD1 4.14Å; I53-I327 HydrophobicContact CD1-CG2 4.44Å; I53-I327 HydrophobicContact CG2-CD1 4.05Å; V57-I327 HydrophobicContact CG1-CD1 4.37Å; V57-I327 HydrophobicContact CG1-CG2 4.2Å; Y61-I327 HydrophobicContact CD1-CD1 4.08Å; Y61-I327 HydrophobicContact CD2-CD1 4.11Å; Y61-I327 HydrophobicContact CD2-CG1 3.69Å; Y61-I327 HydrophobicContact CE2-CG1 4.25Å; Y61-I327 HydrophobicContact CG-CD1 3.76Å; Y61-I327 HydrophobicContact CG-CG1 3.86Å; L283-I327 HydrophobicContact CB-CB 4.36Å; L283-I327 HydrophobicContact CB-CG2 4.22Å; L283-I327 HydrophobicContact CD1-CG2 4.11Å; L283-I327 PolarHBondContact N-O 2.97Å; E284-I327 HydrophobicContact CB-CB 4.02Å; E284-I327 HydrophobicContact CB-CD1 4.02Å; E284-I327 HydrophobicContact CB-CG1 3.98Å; E284-I327 HydrophobicContact CG-CD1 4.07Å; E284-I327 PolarHBondContact N-O 3Å; E284-I327 PolarHBondContact O-N 2.82Å; I327-P338 HydrophobicContact CG2-CB 3.89Å; I327-Q339 WeakPolarHBondContact CA-O 3.47Å; I327-V340 HydrophobicContact CG1-CG2 4.48Å
328V90.8Very high83.7Confident0 Ų051.2 Ų51.20%029%0.289CS..EExtended strand (participates in β ladder)trans-119.2152.6178.8-64.30000110.8L31 L35 W281 V282 I330 P338 Q339 V341L31-V328 HydrophobicContact CD1-CG1 4.06Å; L35-V328 HydrophobicContact CD1-CG2 4.23Å; W281-V328 CarbonylContact O-C 3.45Å; W281-V328 VanDerWaalsContact O-CA 3.3Å; W281-V328 WeakPolarHBondContact O-CA 3.47Å; V282-V328 HydrophobicContact CG2-CG1 4.35Å; V328-I330 HydrophobicContact CG2-CD1 4.05Å; V328-I330 HydrophobicContact CG2-CG1 3.97Å; V328-P338 CarbonylContact O-C 3.39Å; V328-P338 WeakPolarHBondContact O-CA 3.4Å; V328-Q339 PolarHBondContact N-O 2.95Å; V328-Q339 PolarHBondContact O-N 3.1Å; V328-V341 HydrophobicContact CG2-CG2 3.63Å
329S87.9Confident83.8Confident3 Ų353.6 Ų53.62%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-87.8124.8172.772.40000110.4N280 W281N280-S329 PolarHBondContact O-OG 3.02Å; W281-S329 PolarHBondContact NE1-O 2.91Å; W281-S329 PolarHBondContact O-N 2.76Å; W281-S329 PolarHBondContact O-OG 2.76Å
330I84.9Confident84.2Confident33 Ų3352.6 Ų52.617%0.16929%0.285CS..EExtended strand (participates in β ladder)trans-121.2140.7177.1-53.3-167.2000109.3L35 V328 T336 R337 Q339L35-I330 HydrophobicContact CD1-CD1 4.28Å; L35-I330 HydrophobicContact CD2-CD1 3.69Å; V328-I330 HydrophobicContact CG2-CD1 4.05Å; V328-I330 HydrophobicContact CG2-CG1 3.97Å; I330-T336 WeakPolarHBondContact O-CA 3.39Å; I330-R337 PolarHBondContact N-O 2.88Å; I330-R337 PolarHBondContact O-N 3.49Å; I330-Q339 HydrophobicContact CD1-CB 4.21Å; I330-Q339 VanDerWaalsContact CD1-OE1 3.28Å; I330-Q339 HydrophobicContact CG1-CB 4.42Å
331K80.1Confident84.5Confident118 Ų11848.2 Ų48.251%0.51327%0.265SS..EExtended strand (participates in β ladder)trans-88.3108.1176.7-165.2166.6-176.9163.90108.9D44D44-K331 IonicContact OD2-NZ 2.81Å; D44-K331 PolarHBondContact OD2-NZ 3.19Å
332E73.1Confident84.7Confident121 Ų12147.2 Ų47.257%0.56526%0.261SS*.EExtended strand (participates in β ladder)trans-124.9118.6-179.5-163.7-177.5-154.300109G334 R335 R337E332-G334 VanDerWaalsContact C-N 3.29Å; E332-G334 PolarHBondContact O-N 3.09Å; E332-R335 PolarHBondContact N-O 3.47Å; E332-R335 PolarHBondContact O-N 3.19Å; E332-R337 IonicContact OE2-NH1 3.25Å
333G65Low84.8Confident88 Ų8846.7 Ų46.791%0.90726%0.256SS*.THydrogen-bonded Turntrans60.233.4-179.800000114.6R335G333-R335 VanDerWaalsContact C-N 3.29Å; G333-R335 PolarHBondContact O-N 3.28Å
334G72.6Confident84.7Confident54 Ų5448.2 Ų48.256%0.55727%0.265SS*.THydrogen-bonded Turntrans81.1-2.2179.300000115.3E332E332-G334 VanDerWaalsContact C-N 3.29Å; E332-G334 PolarHBondContact O-N 3.09Å
335R74.6Confident84.5Confident180 Ų18052.8 Ų52.868%0.67929%0.289SS*.EExtended strand (participates in β ladder)trans-112141.8173-68.7-177.1176.4173.50.2111E332 G333E332-R335 PolarHBondContact N-O 3.47Å; E332-R335 PolarHBondContact O-N 3.19Å; G333-R335 VanDerWaalsContact C-N 3.29Å; G333-R335 PolarHBondContact O-N 3.28Å
336T81.9Confident84.3Confident18 Ų1853 Ų5311%0.1129%0.291CS..EExtended strand (participates in β ladder)trans-79125.3172.3-52.40000109L51 I330L51-T336 HydrophobicContact CD1-CG2 4.1Å; L51-T336 WeakPolarHBondContact CD1-O 3.3Å; L51-T336 HydrophobicContact CD2-CG2 4.19Å; I330-T336 WeakPolarHBondContact O-CA 3.39Å
337R85.2Confident84Confident133 Ų13354.3 Ų54.350%0.50230%0.295SS..EExtended strand (participates in β ladder)trans-127.7139.7178.9-69.7-176.6172-178.5-2.4111.1I330 E332I330-R337 PolarHBondContact N-O 2.88Å; I330-R337 PolarHBondContact O-N 3.49Å; E332-R337 IonicContact OE2-NH1 3.25Å
338P88.1Confident83.9Confident20 Ų2055 Ų5513%0.1330%0.3CS..EExtended strand (participates in β ladder)trans-78.2134.2174.430.4-31.6000110.8P54 L283 I327 V328P54-P338 HydrophobicContact CG-CG 4.23Å; L283-P338 HydrophobicContact CD1-CB 3.8Å; I327-P338 HydrophobicContact CG2-CB 3.89Å; V328-P338 CarbonylContact O-C 3.39Å; V328-P338 WeakPolarHBondContact O-CA 3.4Å
339Q89.8Confident83.6Confident95 Ų9557.8 Ų57.844%0.44431%0.313SS..EExtended strand (participates in β ladder)trans-131.9139.7179.2-179.9168.1-3.500110.8I327 V328 I330I327-Q339 WeakPolarHBondContact CA-O 3.47Å; V328-Q339 PolarHBondContact N-O 2.95Å; V328-Q339 PolarHBondContact O-N 3.1Å; I330-Q339 HydrophobicContact CD1-CB 4.21Å; I330-Q339 VanDerWaalsContact CD1-OE1 3.28Å; I330-Q339 HydrophobicContact CG1-CB 4.42Å
340V90.7Very high83.4Confident18 Ų1862.8 Ų62.811%0.10933%0.334CS..EExtended strand (participates in β ladder)trans-83.9128.7174-169.20000110.1V57 Q60 L64 M326 I327V57-V340 HydrophobicContact CB-CG2 4.5Å; V57-V340 HydrophobicContact CG1-CG2 3.53Å; V57-V340 WeakPolarHBondContact O-CG2 3.18Å; Q60-V340 HydrophobicContact CB-CG2 4.26Å; Q60-V340 HydrophobicContact CG-CB 4.47Å; Q60-V340 HydrophobicContact CG-CG2 4.23Å; L64-V340 HydrophobicContact CD1-CG1 3.81Å; M326-V340 CarbonylContact O-C 3.5Å; M326-V340 WeakPolarHBondContact O-CA 3.43Å; I327-V340 HydrophobicContact CG1-CG2 4.48Å
341V90.5Very high83.5Confident8 Ų861.7 Ų61.75%0.04833%0.329CS..EExtended strand (participates in β ladder)trans-122144175.1-177.60000107.8Q34 L35 P325 M326 V328 L343Q34-V341 HydrophobicContact CG-CG1 4.13Å; Q34-V341 VanDerWaalsContact NE2-CG1 3.34Å; L35-V341 HydrophobicContact CD2-CG2 3.72Å; L35-V341 HydrophobicContact CG-CG2 4.46Å; P325-V341 CarbonylContact C-O 3.56Å; P325-V341 VanDerWaalsContact CA-O 3.29Å; P325-V341 WeakPolarHBondContact CA-O 3.39Å; M326-V341 PolarHBondContact N-O 2.97Å; M326-V341 PolarHBondContact O-N 2.88Å; V328-V341 HydrophobicContact CG2-CG2 3.63Å; V341-L343 HydrophobicContact CG1-CD2 3.87Å
342S89.3Confident83.8Confident36 Ų3657.6 Ų57.625%0.25232%0.315SS..EExtended strand (participates in β ladder)trans-123.3106.1177172.90000109.5Q34 S323 L324Q34-S342 PolarHBondContact NE2-O 2.99Å; Q34-S342 PolarHBondContact OE1-O 3.33Å; S323-S342 WeakPolarHBondContact CB-OG 3.23Å; S323-S342 PolarHBondContact OG-OG 3.36Å; L324-S342 WeakPolarHBondContact O-CA 3.41Å
343L87.6Confident84.5Confident0 Ų052.1 Ų52.10%029%0.29CS..EExtended strand (participates in β ladder)trans-83.6122.1-179.6-57.3-175.7000109.9L27 L31 Q34 S323 L324 M326 V341 M346L27-L343 HydrophobicContact CD1-CD1 3.99Å; L31-L343 HydrophobicContact CB-CD1 4.15Å; L31-L343 HydrophobicContact CB-CD2 4.24Å; L31-L343 HydrophobicContact CD1-CD1 3.92Å; L31-L343 HydrophobicContact CD1-CD2 4.38Å; L31-L343 HydrophobicContact CG-CD2 4.44Å; Q34-L343 HydrophobicContact CB-CD2 4.25Å; Q34-L343 HydrophobicContact CG-CD2 4.48Å; S323-L343 CarbonylContact C-O 3.57Å; S323-L343 WeakPolarHBondContact CA-O 3.42Å; S323-L343 VanDerWaalsContact CB-O 3.25Å; S323-L343 WeakPolarHBondContact CB-O 3.38Å; L324-L343 PolarHBondContact N-O 2.92Å; L324-L343 PolarHBondContact O-N 3.22Å; M326-L343 HydrophobicContact SD-CD1 3.5Å; M326-L343 WeakPolarHBondContact SD-CD1 3.41Å; M326-L343 HydrophobicContact SD-CG 4.17Å; V341-L343 HydrophobicContact CG1-CD2 3.87Å; L343-M346 HydrophobicContact CB-CE 3.7Å; L343-M346 HydrophobicContact CB-CG 3.49Å; L343-M346 VanDerWaalsContact CB-CG 3.49Å; L343-M346 HydrophobicContact CB-SD 4.46Å; L343-M346 HydrophobicContact CD1-CE 3.5Å; L343-M346 HydrophobicContact CD1-CG 4.41Å; L343-M346 HydrophobicContact CG-CE 4.18Å
344P87Confident85.2Confident77 Ų7748.8 Ų48.850%0.525%0.254SS..EExtended strand (participates in β ladder)trans-71.3157178.430.6-34.7000111.7M346P344-M346 PolarHBondContact O-N 3.26Å; P344-M346 VanDerWaalsContact O-N 3.17Å
345N85.2Confident85.3Confident104 Ų10447.6 Ų47.656%0.55624%0.238SC*.EExtended strand (participates in β ladder)trans60.421.4171.2-53.9-42.7000116.9T321T321-N345 PolarHBondContact OG1-OD1 3.16Å
346M86.1Confident84.9Confident6 Ų642.8 Ų42.83%0.0323%0.225CC..EExtended strand (participates in β ladder)trans-85.4-18.2-173.8-71.5-52.2-167.800115.3M22 L27 A322 L324 L343 P344M22-M346 HydrophobicContact SD-SD 4.31Å; L27-M346 HydrophobicContact CD1-CE 3.5Å; L27-M346 VanDerWaalsContact CD1-CE 3.5Å; L27-M346 HydrophobicContact CD1-CG 4.4Å; L27-M346 HydrophobicContact CD1-SD 3.73Å; L27-M346 HydrophobicContact CG-CE 4.45Å; A322-M346 PolarHBondContact O-N 2.86Å; A322-M346 VanDerWaalsContact O-N 3.08Å; L324-M346 HydrophobicContact CB-CB 3.47Å; L324-M346 VanDerWaalsContact CB-CB 3.47Å; L324-M346 HydrophobicContact CB-CG 3.93Å; L324-M346 HydrophobicContact CD2-CB 4.34Å; L343-M346 HydrophobicContact CB-CE 3.7Å; L343-M346 HydrophobicContact CB-CG 3.49Å; L343-M346 VanDerWaalsContact CB-CG 3.49Å; L343-M346 HydrophobicContact CB-SD 4.46Å; L343-M346 HydrophobicContact CD1-CE 3.5Å; L343-M346 HydrophobicContact CD1-CG 4.41Å; L343-M346 HydrophobicContact CG-CE 4.18Å; P344-M346 PolarHBondContact O-N 3.26Å; P344-M346 VanDerWaalsContact O-N 3.17Å
347R84.3Confident83.7Confident27 Ų2744.8 Ų44.810%0.10225%0.25CC..EExtended strand (participates in β ladder)trans-129.3118.8179.9-173.4170.568.3-171.14.2111.7S68 H69 L289 A290 Y291 T321 A322 Q349S68-R347 PolarHBondContact O-NH2 3.07Å; S68-R347 PolarHBondContact OG-NH2 3.36Å; H69-R347 PolarHBondContact CD2-NH2 3.45Å; H69-R347 VanDerWaalsContact CD2-NH2 3.29Å; H69-R347 PolarHBondContact CE1-NH1 3.39Å; H69-R347 PolarHBondContact NE2-NH1 3Å; H69-R347 PolarHBondContact NE2-NH2 3.04Å; L289-R347 WeakPolarHBondContact O-CD 3.33Å; L289-R347 VanDerWaalsContact O-CG 3.26Å; L289-R347 WeakPolarHBondContact O-CG 3.42Å; A290-R347 CarbonylContact O-C 3.57Å; A290-R347 WeakPolarHBondContact O-CA 3.49Å; Y291-R347 HydrophobicContact CD2-CG 4.09Å; Y291-R347 HydrophobicContact CE2-CG 4.48Å; T321-R347 CarbonylContact C-O 3.47Å; T321-R347 WeakPolarHBondContact CA-O 3.36Å; A322-R347 HydrophobicContact CB-CB 4.42Å; A322-R347 PolarHBondContact N-O 2.7Å; A322-R347 PolarHBondContact O-N 3.37Å; A322-R347 VanDerWaalsContact O-N 3.08Å; R347-Q349 PolarHBondContact O-N 3.43Å
348V87.6Confident82.4Confident16 Ų1640.7 Ų40.710%0.09724%0.244CC..EExtended strand (participates in β ladder)trans-69.7119.5176.2-178.80000109.5R265 A290 Y291 A318R265-V348 WeakPolarHBondContact CD-O 3.45Å; R265-V348 HydrophobicContact CG-CG1 4.23Å; R265-V348 PolarHBondContact NH1-O 2.92Å; A290-V348 PolarHBondContact O-N 3.28Å; Y291-V348 WeakPolarHBondContact O-CG2 3.03Å; A318-V348 HydrophobicContact CB-CG1 4.02Å; A318-V348 HydrophobicContact CB-CG2 4.1Å
349Q84.1Confident80.6Confident58 Ų5847.8 Ų47.827%0.27128%0.28SS..EExtended strand (participates in β ladder)trans-90.6-38.3174.1-65.4-53.8-52.100111.5R265 E320 A322 R347R265-Q349 PolarHBondContact NH1-O 2.87Å; E320-Q349 HydrophobicContact CB-CB 4.02Å; E320-Q349 WeakPolarHBondContact O-CA 3.31Å; E320-Q349 WeakPolarHBondContact O-CB 3.38Å; E320-Q349 PolarHBondContact O-N 3.26Å; A322-Q349 HydrophobicContact CB-CG 3.8Å; R347-Q349 PolarHBondContact O-N 3.43Å
350K84.8Confident78.6Confident109 Ų10947.1 Ų47.147%0.47428%0.282SS..EExtended strand (participates in β ladder)trans-150.8136.5-175.5-166.6-178.2179.2-1760111.9S319 E320S319-K350 PolarHBondContact N-O 3.42Å; S319-K350 PolarHBondContact OG-O 3.28Å; E320-K350 HydrophobicContact CB-CB 3.83Å; E320-K350 HydrophobicContact CG-CB 4.09Å; E320-K350 HydrophobicContact CG-CD 4.33Å; E320-K350 PolarHBondContact N-O 2.6Å; E320-K350 PolarHBondContact O-N 3.46Å; E320-K350 VanDerWaalsContact O-N 3.13Å; E320-K350 WeakPolarHBondContact OE1-CD 3.27Å; E320-K350 IonicContact OE1-NZ 3.62Å
351C86.8Confident76.2Confident9 Ų951.6 Ų51.66%0.06131%0.311CS..EExtended strand (participates in β ladder)trans-97.4150.4170.1-57.40000110.6A247 R265 C293 I317A247-C351 HydrophobicContact CB-CB 4.29Å; A247-C351 WeakPolarHBondContact CB-O 3.26Å; R265-C351 VanDerWaalsContact CB-SG 3.55Å; C293-C351 WeakPolarHBondContact CA-SG 3.1Å; C293-C351 HydrophobicContact CB-CB 3.84Å; C293-C351 WeakPolarHBondContact CB-SG 3.19Å; C293-C351 VanDerWaalsContact SG-CA 3.52Å; C293-C351 WeakPolarHBondContact SG-CB 3.46Å; C293-C351 CovalentContact SG-SG 2.03Å; C293-C351 PolarHBondContact SG-SG 3.24Å; I317-C351 CarbonylContact O-C 3.45Å; I317-C351 WeakPolarHBondContact O-CA 3.41Å
352S86.1Confident73.7Confident32 Ų3261.8 Ų61.822%0.22435%0.349CS..EExtended strand (participates in β ladder)trans-147.8158.8176.174.30000110.9I317 S319I317-S352 PolarHBondContact N-O 3.18Å; I317-S352 PolarHBondContact O-N 2.81Å; S319-S352 WeakPolarHBondContact CB-OG 3.08Å
353C86.4Confident71.1Confident6 Ų671.4 Ų71.44%0.04138%0.38CS..EExtended strand (participates in β ladder)trans-91.4124.7167.8-690000109.4Y245 C297 R314 Q315Y245-C353 WeakPolarHBondContact O-CB 3.34Å; C297-C353 HydrophobicContact CB-CB 3.69Å; C297-C353 WeakPolarHBondContact CB-SG 3.33Å; C297-C353 WeakPolarHBondContact SG-CA 3.47Å; C297-C353 WeakPolarHBondContact SG-CB 3.29Å; C297-C353 CovalentContact SG-SG 2.03Å; C297-C353 PolarHBondContact SG-SG 3.04Å; R314-C353 PolarHBondContact NH2-O 3.27Å; Q315-C353 WeakPolarHBondContact O-CA 3.02Å
354A79.9Confident68.5Low19 Ų1977.8 Ų77.816%0.15741%0.413CS..EExtended strand (participates in β ladder)trans-136.6146.6175.700000110.1R314 Q315 I317R314-A354 CarbonylContact C-O 3.56Å; R314-A354 VanDerWaalsContact CA-O 3.28Å; R314-A354 WeakPolarHBondContact CA-O 3.37Å; Q315-A354 PolarHBondContact N-O 3.24Å; Q315-A354 PolarHBondContact O-N 3.43Å; Q315-A354 VanDerWaalsContact O-N 3.11Å; I317-A354 HydrophobicContact CD1-CB 3.63Å; I317-A354 HydrophobicContact CG1-CB 4.07Å
355S75.4Confident65.6Low29 Ų2982.7 Ų82.720%0.20343%0.429CS..EExtended strand (participates in β ladder)trans-68.1138.3174-55.10000110.3R314 G357 A358R314-S355 WeakPolarHBondContact CG-OG 3.49Å; S355-G357 PolarHBondContact O-N 3.18Å; S355-A358 WeakPolarHBondContact O-CB 3.11Å; S355-A358 PolarHBondContact O-N 3Å
356D65.5Low63.2Low79 Ų7987.2 Ų87.242%0.42246%0.464SS..THydrogen-bonded Turntrans-58.3130.9174.4-168.47.8000110.4L311 G312 P313L311-D356 WeakPolarHBondContact CA-O 3.47Å; G312-D356 PolarHBondContact N-O 3.34Å; P313-D356 PolarHBondContact O-N 3.24Å
357G57.5Low62.1Low60 Ų6091.3 Ų91.362%0.61949%0.486SS*.THydrogen-bonded Turntrans82.3-4.1-172.900000116.5S355 L359S355-G357 PolarHBondContact O-N 3.18Å; G357-L359 PolarHBondContact O-N 3.47Å
358A57.2Low60.9Low46 Ų4694.6 Ų94.638%0.3851%0.506SS..  trans-69.3131.1174.800000111.2L311 S355 V360L311-A358 HydrophobicContact CD2-CB 4.22Å; S355-A358 WeakPolarHBondContact O-CB 3.11Å; S355-A358 PolarHBondContact O-N 3Å; A358-V360 PolarHBondContact O-N 3.18Å
359L50.5Low59.4Low169 Ų16999 Ų9989%0.88553%0.529SS*.  trans-63.9110.5170.6-71.1172.1000108.6G357 P361G357-L359 PolarHBondContact O-N 3.47Å; L359-P361 WeakPolarHBondContact O-CD 3.39Å; L359-P361 VanDerWaalsContact O-N 3.14Å
360V48.4Very low58Low82 Ų82101.4 Ų101.450%0.49754%0.544SS..  trans-55.3120.4171.4-179.80000107.3I317 A358 R362I317-V360 HydrophobicContact CD1-CG2 4.44Å; A358-V360 PolarHBondContact O-N 3.18Å; V360-R362 VanDerWaalsContact C-N 3.28Å; V360-R362 PolarHBondContact O-N 3.2Å
361P40.6Very low56.3Low111 Ų111100.9 Ų100.972%0.72155%0.549SS*.  trans-67.291.5-177.923.9-30.3000108.9L359 R363L359-P361 WeakPolarHBondContact O-CD 3.39Å; L359-P361 VanDerWaalsContact O-N 3.14Å; P361-R363 PolarHBondContact O-N 3.05Å
362R38Very low54.2Low222 Ų222107.1 Ų107.184%0.83858%0.581SS**  trans-64.1124.1165.3-67.8-174.5177.2-177.7-0.2105.8V360 L364V360-R362 VanDerWaalsContact C-N 3.28Å; V360-R362 PolarHBondContact O-N 3.2Å; R362-L364 PolarHBondContact O-N 2.78Å; R362-L364 VanDerWaalsContact O-N 3.08Å
363R34.5Very low52Low238 Ų238112.4 Ų112.490%0.89861%0.607SS**  trans-50.5125.5167.7-78.6-160.1-161.1-1578.8106.9P361 Q365P361-R363 PolarHBondContact O-N 3.05Å; R363-Q365 PolarHBondContact O-N 3.18Å
364L32.8Very low49.3Very low135 Ų135120.6 Ų120.671%0.70765%0.65SS**  trans-55.6112.8162.4-67.4169.9000105.2R362R362-L364 PolarHBondContact O-N 2.78Å; R362-L364 VanDerWaalsContact O-N 3.08Å
365Q25.5Very low46.8Very low179 Ų179129.1 Ų129.184%0.83669%0.691SS**  trans-58.5143.9168.4-87.4174.5-22.800107.6R363R363-Q365 PolarHBondContact O-N 3.18Å
366P35.4Very low44.2Very low199 Ų199138.2 Ų138.2100%1.29274%0.736SS**  trans-55.40-178.123.7-33.7000113

Retrieved 366 of 366 residues in 62.1 ms (Link to these results)