A0A096MZ31_PAPAN Loading...

C2CD2 like

AlphaFold DB , UniProt , Accession A0A096MZ31, Species PAPAN (Papio anubis, Olive baboon), Gene C2CD2L, Length 707 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
1M45.3Very low53.6Low224 Ų224137.8 Ų137.8100%1.10375%0.753SS**  094.50-163.1-177-172.900105.8
2D42.9Very low55.2Low148 Ų148141.3 Ų141.379%0.79175%0.747SS**  trans-126.2105-147.4-54.8-77.5000111.3G4D2-G4 VanDerWaalsContact C-N 3.28Å; D2-G4 PolarHBondContact O-N 3.29Å
3P51.4Low57.1Low137 Ų137136.6 Ų136.689%0.8973%0.727SS**  trans-81.667.5-17233.2-35.8000112.1
4G52Low58.5Low69 Ų69130.3 Ų130.371%0.71170%0.703SS**  trans-92.7-4-170.900000117.8D2D2-G4 VanDerWaalsContact C-N 3.28Å; D2-G4 PolarHBondContact O-N 3.29Å
5W50.3Low59.6Low224 Ų224129.3 Ų129.385%0.84870%0.697SS**SBendtrans-110-10.3-162.7-77.378.6000116.7Q7W5-Q7 PolarHBondContact O-N 3.14Å
6G53.9Low61.2Low65 Ų65127.1 Ų127.167%0.6768%0.684SS**THydrogen-bonded Turntrans-74.4-13.9-169.400000117.4
7Q54.8Low62.7Low182 Ų182126 Ų12685%0.8568%0.676SS**THydrogen-bonded Turntrans-114.3-2.1-160-154.2163.66.600115.9W5W5-Q7 PolarHBondContact O-N 3.14Å
8R54.3Low63.7Low222 Ų222125.8 Ų125.884%0.83867%0.674SS**THydrogen-bonded Turntrans-88.7-40.2173.4-81.1-178.5169.5153.7-1.5113V10 G11R8-V10 PolarHBondContact O-N 3.38Å; R8-G11 PolarHBondContact O-N 2.89Å
9D57.3Low64.7Low105 Ų105126.1 Ų126.156%0.56167%0.669SS**Hα-helixtrans-69.3-35.3-173.1-59.6-22.7000112.7G11 W12 V13D9-G11 VanDerWaalsContact C-N 3.26Å; D9-G11 PolarHBondContact O-N 3.09Å; D9-W12 PolarHBondContact O-N 3.16Å; D9-W12 VanDerWaalsContact O-N 3.07Å; D9-V13 WeakPolarHBondContact O-CG2 3.17Å; D9-V13 PolarHBondContact O-N 3.1Å
10V59.8Low65.7Low100 Ų100122.2 Ų122.261%0.60666%0.655SS**Hα-helixtrans-58.5-37.5178.1-175.70000111.9R8 A14R8-V10 PolarHBondContact O-N 3.38Å; V10-A14 WeakPolarHBondContact O-CB 3.36Å; V10-A14 PolarHBondContact O-N 3.21Å
11G68.1Low66.5Low40 Ų40118.5 Ų118.541%0.41264%0.642SS.*Hα-helixtrans-67.9-37.4176.400000113R8 D9 L15R8-G11 PolarHBondContact O-N 2.89Å; D9-G11 VanDerWaalsContact C-N 3.26Å; D9-G11 PolarHBondContact O-N 3.09Å; G11-L15 WeakPolarHBondContact O-CG 3.5Å; G11-L15 PolarHBondContact O-N 3.01Å; G11-L15 VanDerWaalsContact O-N 3.11Å
12W72.9Confident68.2Low180 Ų180110.9 Ų110.968%0.68261%0.611SS**Hα-helixtrans-69.9-41.1175.9-116.7102000112.1D9 L15 L16D9-W12 PolarHBondContact O-N 3.16Å; D9-W12 VanDerWaalsContact O-N 3.07Å; W12-L15 PolarHBondContact O-N 3.47Å; W12-L16 HydrophobicContact CE3-CD1 3.88Å; W12-L16 HydrophobicContact CE3-CG 4.02Å; W12-L16 HydrophobicContact CZ3-CD1 4.23Å; W12-L16 HydrophobicContact CZ3-CD2 4.42Å; W12-L16 HydrophobicContact CZ3-CG 4.15Å; W12-L16 PolarHBondContact O-N 3.34Å
13V79.7Confident70.3Confident80 Ų80108.5 Ų108.549%0.48560%0.597SS.*Hα-helixtrans-63.7-42.2174.4172.80000111.1D9 L15 L16 I17D9-V13 WeakPolarHBondContact O-CG2 3.17Å; D9-V13 PolarHBondContact O-N 3.1Å; V13-L15 PolarHBondContact O-N 3.1Å; V13-L16 PolarHBondContact O-N 3.01Å; V13-I17 HydrophobicContact CG1-CD1 3.83Å; V13-I17 HydrophobicContact CG1-CG1 4.48Å; V13-I17 VanDerWaalsContact O-CG1 3.31Å; V13-I17 WeakPolarHBondContact O-CG1 3.43Å; V13-I17 PolarHBondContact O-N 2.83Å
14A75.7Confident72Confident48 Ų48107.8 Ų107.840%0.39759%0.585SS.*Hα-helixtrans-61.9-41.5175.600000112.6V10 I17 L18V10-A14 WeakPolarHBondContact O-CB 3.36Å; V10-A14 PolarHBondContact O-N 3.21Å; A14-I17 PolarHBondContact O-N 3.33Å; A14-L18 WeakPolarHBondContact O-CG 3.4Å; A14-L18 PolarHBondContact O-N 3.03Å
15L76.3Confident73.4Confident115 Ų115109.1 Ų109.160%0.60258%0.58SS**Hα-helixtrans-64.7-41174.5-78.1165.8000112.5G11 W12 V13 L18 F19G11-L15 WeakPolarHBondContact O-CG 3.5Å; G11-L15 PolarHBondContact O-N 3.01Å; G11-L15 VanDerWaalsContact O-N 3.11Å; W12-L15 PolarHBondContact O-N 3.47Å; V13-L15 PolarHBondContact O-N 3.1Å; L15-L18 PolarHBondContact O-N 3.15Å; L15-F19 WeakPolarHBondContact O-CB 3.21Å; L15-F19 PolarHBondContact O-N 2.64Å
16L85.4Confident75Confident94 Ų94102.1 Ų102.149%0.49256%0.562SS.*Hα-helixtrans-62.6-41174.3-82.4165000112.4W12 V13 F19 A20W12-L16 HydrophobicContact CE3-CD1 3.88Å; W12-L16 HydrophobicContact CE3-CG 4.02Å; W12-L16 HydrophobicContact CZ3-CD1 4.23Å; W12-L16 HydrophobicContact CZ3-CD2 4.42Å; W12-L16 HydrophobicContact CZ3-CG 4.15Å; W12-L16 PolarHBondContact O-N 3.34Å; V13-L16 PolarHBondContact O-N 3.01Å; L16-F19 PolarHBondContact O-N 2.9Å; L16-A20 WeakPolarHBondContact O-CB 3.44Å; L16-A20 PolarHBondContact O-N 2.88Å
17I85.4Confident76.4Confident109 Ų109105.2 Ų105.256%0.55956%0.557SS**Hα-helixtrans-64.8-44176.4-69.6166.2000110.9V13 A14 F19 A20 A21V13-I17 HydrophobicContact CG1-CD1 3.83Å; V13-I17 HydrophobicContact CG1-CG1 4.48Å; V13-I17 VanDerWaalsContact O-CG1 3.31Å; V13-I17 WeakPolarHBondContact O-CG1 3.43Å; V13-I17 PolarHBondContact O-N 2.83Å; A14-I17 PolarHBondContact O-N 3.33Å; I17-F19 PolarHBondContact O-N 3.32Å; I17-A20 PolarHBondContact O-N 2.69Å; I17-A21 WeakPolarHBondContact O-CB 3.39Å; I17-A21 PolarHBondContact O-N 2.58Å
18L81.3Confident77.7Confident122 Ų12298.8 Ų98.864%0.63954%0.535SS*.Hα-helixtrans-64.6-38.3175.9-72.3169.8000112.3A14 L15 A21 S22A14-L18 WeakPolarHBondContact O-CG 3.4Å; A14-L18 PolarHBondContact O-N 3.03Å; L15-L18 PolarHBondContact O-N 3.15Å; L18-A21 PolarHBondContact O-N 2.99Å; L18-S22 WeakPolarHBondContact O-CB 3.31Å; L18-S22 PolarHBondContact O-N 3.32Å
19F83.2Confident79.2Confident132 Ų13296 Ų9658%0.57953%0.525SS*.Hα-helixtrans-67-41.4174.9-176.9-108.1000112.2L15 L16 I17 S22 L23L15-F19 WeakPolarHBondContact O-CB 3.21Å; L15-F19 PolarHBondContact O-N 2.64Å; L16-F19 PolarHBondContact O-N 2.9Å; I17-F19 PolarHBondContact O-N 3.32Å; F19-S22 WeakPolarHBondContact O-CB 3.46Å; F19-S22 PolarHBondContact O-N 3.42Å; F19-L23 HydrophobicContact CD1-CD1 4.03Å; F19-L23 HydrophobicContact CE1-CD1 3.49Å; F19-L23 VanDerWaalsContact CE1-CD1 3.49Å; F19-L23 HydrophobicContact CZ-CD1 3.83Å; F19-L23 PolarHBondContact O-N 2.83Å
20A84.4Confident80.1Confident47 Ų4795.2 Ų95.239%0.38852%0.52SS..Hα-helixtrans-64.3-40.7174.300000112.2L16 I17 L23 L24L16-A20 WeakPolarHBondContact O-CB 3.44Å; L16-A20 PolarHBondContact O-N 2.88Å; I17-A20 PolarHBondContact O-N 2.69Å; A20-L23 PolarHBondContact O-N 3.23Å; A20-L24 WeakPolarHBondContact O-CB 3.3Å; A20-L24 WeakPolarHBondContact O-CG 3.47Å; A20-L24 PolarHBondContact O-N 3.3Å
21A82.7Confident81.1Confident46 Ų4695.1 Ų95.138%0.3852%0.515SS..Hα-helixtrans-64.2-39.5174.100000112.3I17 L18 L24 T25I17-A21 WeakPolarHBondContact O-CB 3.39Å; I17-A21 PolarHBondContact O-N 2.58Å; L18-A21 PolarHBondContact O-N 2.99Å; A21-L24 PolarHBondContact O-N 3.23Å; A21-T25 PolarHBondContact O-N 3.06Å; A21-T25 PolarHBondContact O-OG1 2.9Å
22S81Confident81.4Confident64 Ų6499.8 Ų99.845%0.44853%0.527SS..Hα-helixtrans-59.5-50.7171.9-179.40000111.4L18 F19 L24 T25 V26L18-S22 WeakPolarHBondContact O-CB 3.31Å; L18-S22 PolarHBondContact O-N 3.32Å; F19-S22 WeakPolarHBondContact O-CB 3.46Å; F19-S22 PolarHBondContact O-N 3.42Å; S22-L24 VanDerWaalsContact C-N 3.32Å; S22-L24 PolarHBondContact O-N 3.19Å; S22-T25 PolarHBondContact O-N 3.1Å; S22-T25 PolarHBondContact O-OG1 2.71Å; S22-V26 WeakPolarHBondContact O-CG2 3.44Å; S22-V26 PolarHBondContact O-N 2.71Å
23L86.6Confident81.5Confident97 Ų9798 Ų9851%0.50852%0.521SS..Hα-helixtrans-57.6-41.7175.6-95.1163.7000112.7F19 A20 V26 F27F19-L23 HydrophobicContact CD1-CD1 4.03Å; F19-L23 HydrophobicContact CE1-CD1 3.49Å; F19-L23 VanDerWaalsContact CE1-CD1 3.49Å; F19-L23 HydrophobicContact CZ-CD1 3.83Å; F19-L23 PolarHBondContact O-N 2.83Å; A20-L23 PolarHBondContact O-N 3.23Å; L23-V26 PolarHBondContact O-N 3.38Å; L23-F27 VanDerWaalsContact O-CB 3.22Å; L23-F27 WeakPolarHBondContact O-CB 3.48Å; L23-F27 PolarHBondContact O-N 3.03Å
24L86.6Confident81.1Confident122 Ų12296.7 Ų96.764%0.63952%0.518SS*.Hα-helixtrans-65.3-38.5177.6-76.9168.5000113A20 A21 S22 A28A20-L24 WeakPolarHBondContact O-CB 3.3Å; A20-L24 WeakPolarHBondContact O-CG 3.47Å; A20-L24 PolarHBondContact O-N 3.3Å; A21-L24 PolarHBondContact O-N 3.23Å; S22-L24 VanDerWaalsContact C-N 3.32Å; S22-L24 PolarHBondContact O-N 3.19Å; L24-A28 VanDerWaalsContact O-CB 3.27Å; L24-A28 WeakPolarHBondContact O-CB 3.25Å; L24-A28 PolarHBondContact O-N 2.92Å
25T82.4Confident81Confident97 Ų97103.2 Ų103.260%0.59553%0.533SS*.Hα-helixtrans-70.3-40.4176.556.70000112.1A21 S22 A28 W29A21-T25 PolarHBondContact O-N 3.06Å; A21-T25 PolarHBondContact O-OG1 2.9Å; S22-T25 PolarHBondContact O-N 3.1Å; S22-T25 PolarHBondContact O-OG1 2.71Å; T25-A28 PolarHBondContact O-N 3.03Å; T25-W29 WeakPolarHBondContact O-CB 3.49Å; T25-W29 PolarHBondContact O-N 2.88Å
26V83.8Confident80.5Confident77 Ų7799.8 Ų99.847%0.46753%0.525SS..Hα-helixtrans-63.3-42.6173.2174.60000111.3S22 L23 W29 L30S22-V26 WeakPolarHBondContact O-CG2 3.44Å; S22-V26 PolarHBondContact O-N 2.71Å; L23-V26 PolarHBondContact O-N 3.38Å; V26-W29 PolarHBondContact O-N 3.23Å; V26-L30 HydrophobicContact CG1-CD1 4.07Å; V26-L30 WeakPolarHBondContact O-CB 3.15Å; V26-L30 WeakPolarHBondContact O-CG 3.28Å; V26-L30 PolarHBondContact O-N 3.32Å
27F82.6Confident79.7Confident130 Ų13099.2 Ų99.257%0.5752%0.522SS*.Hα-helixtrans-67.4-39.9177.9-168.5-106.8000112.3L23 W29 L30 L31L23-F27 VanDerWaalsContact O-CB 3.22Å; L23-F27 WeakPolarHBondContact O-CB 3.48Å; L23-F27 PolarHBondContact O-N 3.03Å; F27-W29 VanDerWaalsContact C-N 3.35Å; F27-W29 PolarHBondContact O-N 3.01Å; F27-L30 PolarHBondContact O-N 2.86Å; F27-L31 HydrophobicContact CD1-CD1 3.87Å; F27-L31 HydrophobicContact CD2-CD1 4.34Å; F27-L31 HydrophobicContact CE1-CD1 3.52Å; F27-L31 HydrophobicContact CE1-CD2 4.48Å; F27-L31 HydrophobicContact CE2-CD1 4.03Å; F27-L31 HydrophobicContact CG-CD1 4.27Å; F27-L31 HydrophobicContact CZ-CD1 3.61Å; F27-L31 WeakPolarHBondContact O-CD1 3.49Å; F27-L31 PolarHBondContact O-N 3.35Å
28A82.3Confident78.5Confident47 Ų47103.6 Ų103.639%0.38853%0.531SS..Hα-helixtrans-62.6-40.8173.300000112L24 T25 L31 Q32L24-A28 VanDerWaalsContact O-CB 3.27Å; L24-A28 WeakPolarHBondContact O-CB 3.25Å; L24-A28 PolarHBondContact O-N 2.92Å; T25-A28 PolarHBondContact O-N 3.03Å; A28-L31 PolarHBondContact O-N 3.09Å; A28-Q32 WeakPolarHBondContact O-CG 3.2Å; A28-Q32 PolarHBondContact O-N 2.89Å
29W85.1Confident77.5Confident164 Ų164102.9 Ų102.962%0.62153%0.528SS*.Hα-helixtrans-65.7-42.5175.4-165.686.3000111.9T25 V26 F27 L31 Q32 Y33T25-W29 WeakPolarHBondContact O-CB 3.49Å; T25-W29 PolarHBondContact O-N 2.88Å; V26-W29 PolarHBondContact O-N 3.23Å; F27-W29 VanDerWaalsContact C-N 3.35Å; F27-W29 PolarHBondContact O-N 3.01Å; W29-L31 PolarHBondContact O-N 2.93Å; W29-Q32 PolarHBondContact O-N 3.07Å; W29-Y33 WeakPolarHBondContact O-CB 3.49Å; W29-Y33 PolarHBondContact O-N 3.12Å
30L77.8Confident76Confident88 Ų88100 Ų10046%0.46153%0.528SS..Hα-helixtrans-61.1-39.5172.5-78.5166.5000112.4V26 F27 Y33 A34V26-L30 HydrophobicContact CG1-CD1 4.07Å; V26-L30 WeakPolarHBondContact O-CB 3.15Å; V26-L30 WeakPolarHBondContact O-CG 3.28Å; V26-L30 PolarHBondContact O-N 3.32Å; F27-L30 PolarHBondContact O-N 2.86Å; L30-Y33 PolarHBondContact O-N 3.11Å; L30-A34 WeakPolarHBondContact O-CB 3.37Å; L30-A34 PolarHBondContact O-N 2.68Å
31L79.7Confident74.5Confident98 Ų98106.8 Ų106.851%0.51354%0.544SS..Hα-helixtrans-66.2-39.5174-102.373.3000112.3F27 A28 W29 R35F27-L31 HydrophobicContact CD1-CD1 3.87Å; F27-L31 HydrophobicContact CD2-CD1 4.34Å; F27-L31 HydrophobicContact CE1-CD1 3.52Å; F27-L31 HydrophobicContact CE1-CD2 4.48Å; F27-L31 HydrophobicContact CE2-CD1 4.03Å; F27-L31 HydrophobicContact CG-CD1 4.27Å; F27-L31 HydrophobicContact CZ-CD1 3.61Å; F27-L31 WeakPolarHBondContact O-CD1 3.49Å; F27-L31 PolarHBondContact O-N 3.35Å; A28-L31 PolarHBondContact O-N 3.09Å; W29-L31 PolarHBondContact O-N 2.93Å; L31-R35 WeakPolarHBondContact O-CB 3.34Å; L31-R35 PolarHBondContact O-N 2.66Å
32Q75.3Confident72.9Confident139 Ų139107.5 Ų107.565%0.6555%0.55SS*.Hα-helixtrans-63.7-45.4174.4-72.5179.210.900111.3A28 W29 R35 G36A28-Q32 WeakPolarHBondContact O-CG 3.2Å; A28-Q32 PolarHBondContact O-N 2.89Å; W29-Q32 PolarHBondContact O-N 3.07Å; Q32-R35 PolarHBondContact O-N 2.81Å; Q32-G36 PolarHBondContact O-N 3.08Å
33Y74.2Confident71.3Confident142 Ų142115.8 Ų115.856%0.55757%0.571SS**Hα-helixtrans-61.7-49.6176.3-174.4-95.6000111.8W29 L30 R35 G36 L37W29-Y33 WeakPolarHBondContact O-CB 3.49Å; W29-Y33 PolarHBondContact O-N 3.12Å; L30-Y33 PolarHBondContact O-N 3.11Å; Y33-R35 VanDerWaalsContact C-N 3.34Å; Y33-R35 PolarHBondContact O-N 3.26Å; Y33-G36 PolarHBondContact O-N 3.28Å; Y33-L37 PolarHBondContact O-N 2.97Å
34A70.9Confident69.4Low52 Ų52114.5 Ų114.543%0.4358%0.581SS.*Hα-helixtrans-60.8-41.1177.100000112.1L30 L37 W38L30-A34 WeakPolarHBondContact O-CB 3.37Å; L30-A34 PolarHBondContact O-N 2.68Å; A34-L37 WeakPolarHBondContact O-CB 3.48Å; A34-L37 PolarHBondContact O-N 3.21Å; A34-W38 WeakPolarHBondContact O-CB 3.44Å; A34-W38 PolarHBondContact O-N 3.49Å
35R73.8Confident67.4Low186 Ų186115.3 Ų115.370%0.70259%0.586SS**Hα-helixtrans-65.9-36.9175.8-175.3172.8178.2169-1.3112.1L31 Q32 Y33 W38 L39L31-R35 WeakPolarHBondContact O-CB 3.34Å; L31-R35 PolarHBondContact O-N 2.66Å; Q32-R35 PolarHBondContact O-N 2.81Å; Y33-R35 VanDerWaalsContact C-N 3.34Å; Y33-R35 PolarHBondContact O-N 3.26Å; R35-W38 PolarHBondContact O-N 2.85Å; R35-L39 HydrophobicContact CG-CD1 4.21Å; R35-L39 WeakPolarHBondContact O-CB 3.26Å; R35-L39 VanDerWaalsContact O-CG 3.29Å; R35-L39 WeakPolarHBondContact O-CG 3.33Å; R35-L39 PolarHBondContact O-N 3.32Å
36G66.5Low65.2Low42 Ų42122.8 Ų122.843%0.43360%0.603SS.*Hα-helixtrans-60.7-46.917000000112.1Q32 Y33 W38 L39 A40Q32-G36 PolarHBondContact O-N 3.08Å; Y33-G36 PolarHBondContact O-N 3.28Å; G36-W38 VanDerWaalsContact C-N 3.32Å; G36-W38 PolarHBondContact O-N 3.48Å; G36-L39 PolarHBondContact O-N 2.88Å; G36-A40 PolarHBondContact O-N 3.12Å
37L68.2Low62.8Low83 Ų83122.7 Ų122.744%0.43562%0.618SS.*Hα-helixtrans-63.2-36.7176.7-144.977.8000112.6Y33 A34 R41Y33-L37 PolarHBondContact O-N 2.97Å; A34-L37 WeakPolarHBondContact O-CB 3.48Å; A34-L37 PolarHBondContact O-N 3.21Å; L37-R41 PolarHBondContact O-N 3.32Å; L37-R41 VanDerWaalsContact O-N 3.11Å
38W60.7Low60.8Low200 Ų200122.9 Ų122.976%0.75863%0.633SS**Hα-helixtrans-70.8-41.4176.7-128.481.5000112.1A34 R35 G36 A40 R41 A42A34-W38 WeakPolarHBondContact O-CB 3.44Å; A34-W38 PolarHBondContact O-N 3.49Å; R35-W38 PolarHBondContact O-N 2.85Å; G36-W38 VanDerWaalsContact C-N 3.32Å; G36-W38 PolarHBondContact O-N 3.48Å; W38-A40 VanDerWaalsContact C-N 3.33Å; W38-R41 PolarHBondContact O-N 2.88Å; W38-A42 VanDerWaalsContact O-CB 3.28Å; W38-A42 WeakPolarHBondContact O-CB 3.38Å; W38-A42 PolarHBondContact O-N 3.14Å
39L58.9Low58.6Low107 Ų107124 Ų12456%0.5665%0.648SS**Hα-helixtrans-66-35.1174.9-74167.6000112.2R35 G36 R43R35-L39 HydrophobicContact CG-CD1 4.21Å; R35-L39 WeakPolarHBondContact O-CB 3.26Å; R35-L39 VanDerWaalsContact O-CG 3.29Å; R35-L39 WeakPolarHBondContact O-CG 3.33Å; R35-L39 PolarHBondContact O-N 3.32Å; G36-L39 PolarHBondContact O-N 2.88Å; L39-R43 PolarHBondContact O-N 3.33Å
40A53.5Low56.5Low71 Ų71122.4 Ų122.459%0.58766%0.659SS**Hα-helixtrans-63-46.2171.700000111.7G36 W38G36-A40 PolarHBondContact O-N 3.12Å; W38-A40 VanDerWaalsContact C-N 3.33Å
41R52.2Low54.1Low191 Ų191122.3 Ų122.372%0.72167%0.671SS**Hα-helixtrans-65.8-40.4174.7-83-176.5164.1131.9-3.5113.2L37 W38 R43 G44L37-R41 PolarHBondContact O-N 3.32Å; L37-R41 VanDerWaalsContact O-N 3.11Å; W38-R41 PolarHBondContact O-N 2.88Å; R41-R43 VanDerWaalsContact C-N 3.27Å; R41-R43 PolarHBondContact O-N 2.86Å; R41-G44 PolarHBondContact O-N 2.93Å
42A48.6Very low52Low61 Ų61126.2 Ų126.250%0.50469%0.692SS.*Hα-helixtrans-66.2-25.8-177.500000113.6W38W38-A42 VanDerWaalsContact O-CB 3.28Å; W38-A42 WeakPolarHBondContact O-CB 3.38Å; W38-A42 PolarHBondContact O-N 3.14Å
43R48.5Very low49.9Very low238 Ų238124.7 Ų124.790%0.89870%0.702SS**THydrogen-bonded Turntrans-78.9-14.1171.6-87.5-174.9168.1173.3-2.6114.4L39 R41L39-R43 PolarHBondContact O-N 3.33Å; R41-R43 VanDerWaalsContact C-N 3.27Å; R41-R43 PolarHBondContact O-N 2.86Å
44G45.9Very low47.6Very low69 Ų69121.7 Ų121.771%0.71172%0.715SS**THydrogen-bonded Turntrans-87.54.6-177.300000115.7R41R41-G44 PolarHBondContact O-N 2.93Å
45N44.3Very low45.6Very low140 Ų140128.3 Ų128.375%0.74974%0.737SS**SBendtrans-146.371.3-169.3-163.77.8000114.3
46R36.1Very low43.7Very low253 Ų253125.2 Ų125.296%0.95574%0.741SS**  trans-166.3113.2162.3-109.6177.2-172.2-165.11.6111
47G33Very low42.3Very low76 Ų76128.7 Ų128.778%0.78477%0.765SS**  trans138.7120.7174.200000112.9
48P42Very low40.3Very low134 Ų134127.3 Ų127.387%0.8777%0.771SS**  trans-90.8161.2-176.936-35.2000113.9
49G34.6Very low39Very low69 Ų69122.4 Ų122.471%0.71177%0.767SS**  trans-79.4-170.3167.700000113.5
50P41Very low37.8Very low131 Ų131123.7 Ų123.785%0.85177%0.774SS**  -144.6170.37040.8-25.2000117.7
51A28.8Very low37Very low87 Ų87130 Ų13072%0.71978%0.783SS**  trans64.993.2148.700000121.7
52L35.7Very low36.5Very low180 Ų180128.9 Ų128.994%0.94279%0.786SS**  47.799.2116.5-73.3152.2000120.1
53A29.8Very low36.3Very low106 Ų106128 Ų12888%0.87677%0.773SS**  trans-137.5145.4132.100000107.8
54G27.1Very low36.6Very low79 Ų79119.2 Ų119.281%0.81476%0.756SS**PPolyproline II helixtrans-87.6139.9-162.300000115.8
55E29.6Very low37Very low191 Ų191117.7 Ų117.789%0.89373%0.733SS**PPolyproline II helixtrans-85.1140.2161.7-70-156.5125.100111.6
56P32.6Very low37.5Very low121 Ų121111.1 Ų111.179%0.78670%0.698SS**PPolyproline II helixtrans-77.4129.8159.932.2-30.8000110.1G58P56-G58 PolarHBondContact O-N 2.92Å
57A36.4Very low38.3Very low115 Ų115104.1 Ų104.195%0.9567%0.671SS**  trans-71.791.6-176.900000112.7
58G27.5Very low39.4Very low54 Ų54103.9 Ų103.956%0.55766%0.658SS**  trans-88.5128.9-177.100000115.9P56 L60P56-G58 PolarHBondContact O-N 2.92Å; G58-L60 PolarHBondContact O-N 3.41Å
59S33.5Very low39.9Very low97 Ų9798.1 Ų98.168%0.67862%0.619SS**  trans32.149145.355.10000119.7R61S59-R61 PolarHBondContact O-N 2.95Å
60L32.8Very low40.8Very low135 Ų13597.3 Ų97.371%0.70760%0.599SS**THydrogen-bonded Turntrans-69.422.9-177.8-126.5179.5000116G58G58-L60 PolarHBondContact O-N 3.41Å
61R38.3Very low41.3Very low202 Ų202100.1 Ų100.176%0.76259%0.592SS**THydrogen-bonded Turntrans-126.2-13.4-161.9-149.3178-175.5-160.21117.5S59S59-R61 PolarHBondContact O-N 2.95Å
62E40.2Very low42.3Very low168 Ų16899.1 Ų99.179%0.78557%0.574SS**  trans-97.9-15.9-172.1-70.4-175.4119.300116G64E62-G64 PolarHBondContact O-N 3.18Å
63L45.1Very low42.7Very low43 Ų4395.7 Ų95.723%0.22555%0.549CS..  trans-77.558.4-170.6-69.8146.5000113.5R67L63-R67 HydrophobicContact CB-CG 3.87Å
64G54.3Low43Very low54 Ų5494.8 Ų94.856%0.55754%0.541SS*.THydrogen-bonded Turntrans-79-29.9-161.700000116.8E62E62-G64 PolarHBondContact O-N 3.18Å
65V54.3Low43.3Very low36 Ų3696.9 Ų96.922%0.21854%0.538CS..THydrogen-bonded Turntrans-112.7-47.7177.2-178.40000110.5R67 S68 L257 A259V65-R67 PolarHBondContact O-N 3.06Å; V65-S68 WeakPolarHBondContact O-CA 3.41Å; V65-S68 VanDerWaalsContact O-CB 3.29Å; V65-S68 WeakPolarHBondContact O-CB 3.38Å; V65-S68 PolarHBondContact O-N 2.85Å; V65-L257 HydrophobicContact CG1-CB 4.18Å; V65-L257 HydrophobicContact CG1-CD1 4.16Å; V65-L257 WeakPolarHBondContact CG2-O 3.41Å; V65-A259 HydrophobicContact CG2-CB 4.49Å
66W54.6Low43.5Very low3 Ų399.2 Ų99.21%0.01154%0.539CS..Hα-helixtrans-63.2-33.6-171.7-87.972.6000114.8S68 L69 L70 H148 T149 M150 L195 E197 L203W66-S68 PolarHBondContact O-N 3.42Å; W66-L69 HydrophobicContact CD2-CD1 4.31Å; W66-L69 CarbonylContact O-C 3.54Å; W66-L69 WeakPolarHBondContact O-CA 3.42Å; W66-L69 WeakPolarHBondContact O-CB 3.38Å; W66-L69 PolarHBondContact O-N 3.17Å; W66-L70 WeakPolarHBondContact O-CB 3.36Å; W66-L70 WeakPolarHBondContact O-CG 3.47Å; W66-L70 PolarHBondContact O-N 3.06Å; W66-H148 WeakPolarHBondContact CZ2-O 3.4Å; W66-T149 VanDerWaalsContact CH2-CA 3.44Å; W66-T149 WeakPolarHBondContact CZ3-O 3.33Å; W66-M150 HydrophobicContact CH2-CB 3.58Å; W66-M150 HydrophobicContact CZ3-CB 3.65Å; W66-L195 HydrophobicContact CH2-CB 3.96Å; W66-L195 WeakPolarHBondContact CH2-O 3.39Å; W66-L195 HydrophobicContact CZ2-CB 4.04Å; W66-E197 HydrophobicContact CD2-CB 4.42Å; W66-E197 HydrophobicContact CG-CB 4.23Å; W66-E197 HydrophobicContact CG-CG 4.35Å; W66-L203 HydrophobicContact CZ2-CD1 3.45Å; W66-L203 VanDerWaalsContact CZ2-CD1 3.45Å
67R53.9Low43.7Very low106 Ų10698.7 Ų98.740%0.455%0.545SS..Hα-helixtrans-63.4-21.6170.8-86.3179.1176.5179.7-0.1114.5L63 V65 L70 R71L63-R67 HydrophobicContact CB-CG 3.87Å; V65-R67 PolarHBondContact O-N 3.06Å; R67-L70 HydrophobicContact CG-CD1 4.39Å; R67-R71 WeakPolarHBondContact O-CB 3.46Å; R67-R71 WeakPolarHBondContact O-CD 3.34Å; R67-R71 WeakPolarHBondContact O-CG 3.48Å; R67-R71 PolarHBondContact O-N 2.83Å
68S55.2Low43.4Very low71 Ų7196.2 Ų96.250%0.49753%0.53SS..Hα-helixtrans-76.8-29.3171.8-58.40000112V65 W66V65-S68 WeakPolarHBondContact O-CA 3.41Å; V65-S68 VanDerWaalsContact O-CB 3.29Å; V65-S68 WeakPolarHBondContact O-CB 3.38Å; V65-S68 PolarHBondContact O-N 2.85Å; W66-S68 PolarHBondContact O-N 3.42Å
69L53.6Low44.1Very low13 Ų1399.2 Ų99.27%0.06855%0.55CS..Hα-helixtrans-77.7-46.7174.2-51.5-175.3000111W66 R71 L72 L88W66-L69 HydrophobicContact CD2-CD1 4.31Å; W66-L69 CarbonylContact O-C 3.54Å; W66-L69 WeakPolarHBondContact O-CA 3.42Å; W66-L69 WeakPolarHBondContact O-CB 3.38Å; W66-L69 PolarHBondContact O-N 3.17Å; L69-R71 VanDerWaalsContact C-N 3.27Å; L69-R71 PolarHBondContact O-N 2.95Å; L69-L72 WeakPolarHBondContact O-CB 3.32Å; L69-L72 VanDerWaalsContact O-CG 3.3Å; L69-L72 WeakPolarHBondContact O-CG 3.11Å; L69-L72 PolarHBondContact O-N 2.87Å; L69-L88 HydrophobicContact CD1-CD2 4.44Å; L69-L88 HydrophobicContact CD2-CD1 3.69Å; L69-L88 HydrophobicContact CD2-CD2 3.92Å; L69-L88 HydrophobicContact CD2-CG 4.42Å
70L52.5Low44.5Very low52 Ų5298.2 Ų98.227%0.27255%0.547SS..Hα-helixtrans-57.9-36.8175.4-69161000112.3W66 R67 L72 R73 Q145W66-L70 WeakPolarHBondContact O-CB 3.36Å; W66-L70 WeakPolarHBondContact O-CG 3.47Å; W66-L70 PolarHBondContact O-N 3.06Å; R67-L70 HydrophobicContact CG-CD1 4.39Å; L70-L72 PolarHBondContact O-N 3.12Å; L70-L72 VanDerWaalsContact O-N 3.15Å; L70-R73 PolarHBondContact O-N 2.98Å; L70-Q145 HydrophobicContact CD2-CG 3.75Å
71R51.7Low45.4Very low189 Ų18995 Ų9571%0.71353%0.529SS*.G310 helixtrans-60.8-19.8175.2-84.9171.8-175-171.53.2114.3R67 L69 R73 A74R67-R71 WeakPolarHBondContact O-CB 3.46Å; R67-R71 WeakPolarHBondContact O-CD 3.34Å; R67-R71 WeakPolarHBondContact O-CG 3.48Å; R67-R71 PolarHBondContact O-N 2.83Å; L69-R71 VanDerWaalsContact C-N 3.27Å; L69-R71 PolarHBondContact O-N 2.95Å; R71-R73 PolarHBondContact O-N 2.95Å; R71-A74 PolarHBondContact O-N 3.31Å
72L49.1Very low46.2Very low66 Ų6687.6 Ų87.635%0.34650%0.503SS..G310 helixtrans-64.7-19.1176.8-60.6170.3000112.6L69 L70L69-L72 WeakPolarHBondContact O-CB 3.32Å; L69-L72 VanDerWaalsContact O-CG 3.3Å; L69-L72 WeakPolarHBondContact O-CG 3.11Å; L69-L72 PolarHBondContact O-N 2.87Å; L70-L72 PolarHBondContact O-N 3.12Å; L70-L72 VanDerWaalsContact O-N 3.15Å
73R45.5Very low47Very low109 Ų10984.9 Ų84.941%0.41150%0.5SS..G310 helixtrans-101.92.4-176.9-152.5170.7-171.5-170.63.4114.8L70 R71 T75 E82L70-R73 PolarHBondContact O-N 2.98Å; R71-R73 PolarHBondContact O-N 2.95Å; R73-T75 PolarHBondContact O-N 2.94Å; R73-E82 IonicContact NE-OE1 3.43Å
74A35.6Very low48.1Very low86 Ų8684 Ų8471%0.71150%0.501SS*.  trans-66.1-5-177.100000114.7R71R71-A74 PolarHBondContact O-N 3.31Å
75T33.9Very low48.8Very low123 Ų12381.4 Ų81.476%0.75548%0.475SS*.SBendtrans-114.176.7-179.953.20000113.2R73R73-T75 PolarHBondContact O-N 2.94Å
76R33.4Very low49.6Very low240 Ų24085.2 Ų85.291%0.90649%0.485SS*.  trans69.4120.8151.7-159.2-179.2-157.7168.13.4116.9G78R76-G78 PolarHBondContact O-N 3.19Å
77A37.6Very low50.5Low110 Ų11086.8 Ų86.891%0.90950%0.502SS*.  trans-59.6133.9175.100000113.1
78G29.3Very low51.7Low63 Ų6383 Ų8365%0.64949%0.49SS*.  trans174.5130.3173.500000110.4R76 A80R76-G78 PolarHBondContact O-N 3.19Å; G78-A80 PolarHBondContact O-N 3.25Å; G78-A80 VanDerWaalsContact O-N 3.14Å
79A42.5Very low52.8Low117 Ų11780 Ų8097%0.96747%0.468SS*.SBendtrans-77.5100.1-17400000112.3
80A41.1Very low54Low76 Ų7682.2 Ų82.263%0.62849%0.488SS*.SBendtrans-152.7168.3165.600000108.3G78 E82G78-A80 PolarHBondContact O-N 3.25Å; G78-A80 VanDerWaalsContact O-N 3.14Å; A80-E82 PolarHBondContact O-N 3.2Å
81E52Low55.3Low67 Ų6782.7 Ų82.731%0.31350%0.496SS..  trans-53.3116.3176-72.9-167.4170.900111.1P83 R86 H139E81-P83 WeakPolarHBondContact O-CD 3.33Å; E81-R86 IonicContact OE1-NH1 2.87Å; E81-R86 WeakPolarHBondContact OE2-CD 3.29Å; E81-R86 IonicContact OE2-CZ 2.97Å; E81-R86 IonicContact OE2-NE 3.67Å; E81-R86 IonicContact OE2-NH1 3.59Å; E81-R86 PolarHBondContact OE2-NH1 2.64Å; E81-H139 VanDerWaalsContact OE1-CA 3.27Å; E81-H139 WeakPolarHBondContact OE1-CA 3.22Å; E81-H139 IonicContact OE1-CE1 3.25Å; E81-H139 IonicContact OE1-CG 2.72Å; E81-H139 PolarHBondContact OE1-N 2.9Å; E81-H139 IonicContact OE1-ND1 3.4Å; E81-H139 PolarHBondContact OE1-ND1 2.79Å
82E54.4Low56.8Low48 Ų4874.3 Ų74.322%0.22447%0.465CS..  trans-74.2110.5179.9-72.2-167168.400109.8R73 A80 G84 V85 R86R73-E82 IonicContact NE-OE1 3.43Å; A80-E82 PolarHBondContact O-N 3.2Å; E82-G84 PolarHBondContact O-N 2.89Å; E82-V85 HydrophobicContact CB-CB 4.14Å; E82-V85 HydrophobicContact CB-CG2 3.91Å; E82-V85 PolarHBondContact O-N 2.97Å; E82-V85 VanDerWaalsContact O-N 3.11Å; E82-V85 WeakPolarHBondContact OE2-CG2 3.06Å; E82-R86 PolarHBondContact O-N 3.47Å
83P57.2Low58.4Low110 Ų11073 Ų7371%0.71446%0.457SS*.Hα-helixtrans-67.5-26.7-170.127.3-35.2000112.6E81 G87E81-P83 WeakPolarHBondContact O-CD 3.33Å; P83-G87 PolarHBondContact O-N 2.99Å
84G67.8Low60.2Low24 Ų2471 Ų7125%0.24746%0.464CS..Hα-helixtrans-67.6-42173.900000112.8E82 G87 L88E82-G84 PolarHBondContact O-N 2.89Å; G84-G87 CarbonylContact O-C 3.52Å; G84-G87 WeakPolarHBondContact O-CA 3.29Å; G84-G87 PolarHBondContact O-N 2.66Å; G84-L88 PolarHBondContact O-N 2.9Å
85V69.3Low62.4Low1 Ų172.6 Ų72.61%0.00646%0.455CS..Hα-helixtrans-76.6-41.4-177.9-174.70000111.1E82 G87 L88 L89 V140 C142 M150 L152E82-V85 HydrophobicContact CB-CB 4.14Å; E82-V85 HydrophobicContact CB-CG2 3.91Å; E82-V85 PolarHBondContact O-N 2.97Å; E82-V85 VanDerWaalsContact O-N 3.11Å; E82-V85 WeakPolarHBondContact OE2-CG2 3.06Å; V85-G87 PolarHBondContact O-N 3.3Å; V85-L88 WeakPolarHBondContact O-CB 3.29Å; V85-L88 PolarHBondContact O-N 2.95Å; V85-L89 PolarHBondContact O-N 3.34Å; V85-L89 VanDerWaalsContact O-N 3.1Å; V85-V140 HydrophobicContact CG1-CG1 4.16Å; V85-C142 HydrophobicContact CG1-CB 4.4Å; V85-C142 HydrophobicContact CG2-CB 4.3Å; V85-M150 HydrophobicContact CB-CE 4.44Å; V85-M150 HydrophobicContact CG1-CE 3.87Å; V85-M150 HydrophobicContact CG2-CE 3.67Å; V85-L152 HydrophobicContact CG1-CD1 4.09Å; V85-L152 HydrophobicContact CG1-CD2 3.36Å; V85-L152 HydrophobicContact CG1-CG 4.36Å
86R70.7Confident64.9Low115 Ų11573 Ų7343%0.43445%0.446SS..Hα-helixtrans-57-39166.3-173.8174.4174.7-179.2-3111.1E81 E82 A90 V140E81-R86 IonicContact OE1-NH1 2.87Å; E81-R86 WeakPolarHBondContact OE2-CD 3.29Å; E81-R86 IonicContact OE2-CZ 2.97Å; E81-R86 IonicContact OE2-NE 3.67Å; E81-R86 IonicContact OE2-NH1 3.59Å; E81-R86 PolarHBondContact OE2-NH1 2.64Å; E82-R86 PolarHBondContact O-N 3.47Å; R86-A90 WeakPolarHBondContact O-CB 3.35Å; R86-A90 PolarHBondContact O-N 3.24Å; R86-V140 HydrophobicContact CB-CB 4.12Å; R86-V140 HydrophobicContact CG-CB 4.36Å; R86-V140 HydrophobicContact CG-CG2 4.28Å
87G73.8Confident67.4Low37 Ų3764.8 Ų64.838%0.38143%0.426SS..Hα-helixtrans-63.6-42.2174.600000114P83 G84 V85 S91P83-G87 PolarHBondContact O-N 2.99Å; G84-G87 CarbonylContact O-C 3.52Å; G84-G87 WeakPolarHBondContact O-CA 3.29Å; G84-G87 PolarHBondContact O-N 2.66Å; V85-G87 PolarHBondContact O-N 3.3Å; G87-S91 VanDerWaalsContact O-CB 3.22Å; G87-S91 WeakPolarHBondContact O-CB 3.31Å; G87-S91 PolarHBondContact O-N 3.23Å
88L78.9Confident69.8Low27 Ų2760.2 Ų60.214%0.14139%0.386CS..Hα-helixtrans-59.6-54.4174.3175.566.6000111.1L69 G84 V85 A90 S91 L92 L195L69-L88 HydrophobicContact CD1-CD2 4.44Å; L69-L88 HydrophobicContact CD2-CD1 3.69Å; L69-L88 HydrophobicContact CD2-CD2 3.92Å; L69-L88 HydrophobicContact CD2-CG 4.42Å; G84-L88 PolarHBondContact O-N 2.9Å; V85-L88 WeakPolarHBondContact O-CB 3.29Å; V85-L88 PolarHBondContact O-N 2.95Å; L88-A90 PolarHBondContact O-N 3.1Å; L88-S91 WeakPolarHBondContact O-CB 3.2Å; L88-S91 PolarHBondContact O-N 3.04Å; L88-S91 VanDerWaalsContact O-N 3.14Å; L88-L92 HydrophobicContact CG-CD1 4.48Å; L88-L92 PolarHBondContact O-N 3.32Å; L88-L195 HydrophobicContact CD2-CD1 4.2Å
89L79.2Confident72.5Confident6 Ų660.8 Ų60.83%0.03137%0.368CS..Hα-helixtrans-65.1-42.4-176.6-160.765.4000110.9V85 S91 L92 F93 I137 V140 L152V85-L89 PolarHBondContact O-N 3.34Å; V85-L89 VanDerWaalsContact O-N 3.1Å; L89-S91 VanDerWaalsContact C-N 3.31Å; L89-S91 PolarHBondContact O-N 2.98Å; L89-L92 PolarHBondContact O-N 2.72Å; L89-F93 HydrophobicContact CD1-CD2 4.05Å; L89-F93 HydrophobicContact CD1-CE2 3.81Å; L89-F93 HydrophobicContact CG-CD2 3.95Å; L89-F93 HydrophobicContact CG-CE2 4.03Å; L89-F93 WeakPolarHBondContact O-CD2 3.38Å; L89-F93 PolarHBondContact O-N 3.22Å; L89-I137 HydrophobicContact CD2-CG2 3.99Å; L89-V140 HydrophobicContact CB-CG1 4.34Å; L89-V140 HydrophobicContact CD2-CG1 3.9Å; L89-V140 HydrophobicContact CD2-CG2 3.82Å; L89-L152 HydrophobicContact CD1-CD1 4.34Å
90A78.3Confident74.7Confident60 Ų6058.5 Ų58.550%0.49634%0.338SS..Hα-helixtrans-62.2-35.5173.400000112.8R86 L88 A94R86-A90 WeakPolarHBondContact O-CB 3.35Å; R86-A90 PolarHBondContact O-N 3.24Å; L88-A90 PolarHBondContact O-N 3.1Å; A90-A94 VanDerWaalsContact O-CB 3.32Å; A90-A94 WeakPolarHBondContact O-CB 3.34Å; A90-A94 PolarHBondContact O-N 3.49Å
91S79.6Confident77Confident63 Ų6358.3 Ų58.344%0.44133%0.326SS..Hα-helixtrans-66.5-46.6175.1-174.20000111.6G87 L88 L89 A94 F95G87-S91 VanDerWaalsContact O-CB 3.22Å; G87-S91 WeakPolarHBondContact O-CB 3.31Å; G87-S91 PolarHBondContact O-N 3.23Å; L88-S91 WeakPolarHBondContact O-CB 3.2Å; L88-S91 PolarHBondContact O-N 3.04Å; L88-S91 VanDerWaalsContact O-N 3.14Å; L89-S91 VanDerWaalsContact C-N 3.31Å; L89-S91 PolarHBondContact O-N 2.98Å; S91-A94 WeakPolarHBondContact O-CB 3.22Å; S91-A94 PolarHBondContact O-N 3.24Å; S91-F95 WeakPolarHBondContact O-CD2 3.5Å; S91-F95 VanDerWaalsContact O-CE2 3.28Å; S91-F95 WeakPolarHBondContact O-CE2 3.45Å
92L84.3Confident78.8Confident12 Ų1255.9 Ų55.96%0.06331%0.314CS..Hα-helixtrans-58.2-53174.4-68.1175.4000111L88 L89 A94 F95 F98 I205 L257L88-L92 HydrophobicContact CG-CD1 4.48Å; L88-L92 PolarHBondContact O-N 3.32Å; L89-L92 PolarHBondContact O-N 2.72Å; L92-A94 PolarHBondContact O-N 3.46Å; L92-F95 PolarHBondContact O-N 3.16Å; L92-F95 VanDerWaalsContact O-N 3.17Å; L92-F98 HydrophobicContact CB-CD1 4.21Å; L92-F98 HydrophobicContact CB-CD2 4.17Å; L92-F98 HydrophobicContact CB-CE1 4.02Å; L92-F98 HydrophobicContact CB-CE2 3.95Å; L92-F98 HydrophobicContact CB-CG 4.29Å; L92-F98 HydrophobicContact CB-CZ 3.89Å; L92-F98 HydrophobicContact CD1-CE2 4.25Å; L92-F98 HydrophobicContact CD1-CZ 4.27Å; L92-F98 HydrophobicContact CD2-CD2 4.31Å; L92-F98 HydrophobicContact CD2-CE2 4.18Å; L92-F98 HydrophobicContact CG-CE2 4.36Å; L92-F98 VanDerWaalsContact O-CB 3.23Å; L92-F98 WeakPolarHBondContact O-CB 3.27Å; L92-F98 WeakPolarHBondContact O-CD1 3.24Å; L92-F98 WeakPolarHBondContact O-CG 3.47Å; L92-I205 HydrophobicContact CD1-CD1 4.47Å; L92-L257 HydrophobicContact CD2-CD2 4.09Å
93F83.1Confident80.5Confident38 Ų3854.6 Ų54.617%0.16731%0.308CS..Hα-helixtrans-68.7-14.4179.2-82.2-86.7000114.2L89 F95 F98 R99 W102 I137L89-F93 HydrophobicContact CD1-CD2 4.05Å; L89-F93 HydrophobicContact CD1-CE2 3.81Å; L89-F93 HydrophobicContact CG-CD2 3.95Å; L89-F93 HydrophobicContact CG-CE2 4.03Å; L89-F93 WeakPolarHBondContact O-CD2 3.38Å; L89-F93 PolarHBondContact O-N 3.22Å; F93-F95 VanDerWaalsContact C-N 3.34Å; F93-F98 HydrophobicContact CD1-CD1 4.33Å; F93-F98 HydrophobicContact CD1-CE1 4.21Å; F93-F98 HydrophobicContact CD2-CD1 4.47Å; F93-F98 AromaticContact CD2-CE1 3.86Å; F93-F98 HydrophobicContact CD2-CE1 3.86Å; F93-F98 HydrophobicContact CE1-CE1 4.1Å; F93-F98 AromaticContact CE2-CE1 3.75Å; F93-F98 HydrophobicContact CE2-CE1 3.75Å; F93-F98 HydrophobicContact CE2-CZ 4.48Å; F93-F98 HydrophobicContact CG-CD1 4.3Å; F93-F98 HydrophobicContact CG-CE1 4.1Å; F93-F98 AromaticContact CZ-CE1 3.88Å; F93-F98 HydrophobicContact CZ-CE1 3.88Å; F93-R99 HydrophobicContact CD1-CG 4.16Å; F93-R99 VanDerWaalsContact O-CD 3.26Å; F93-R99 WeakPolarHBondContact O-CD 3.16Å; F93-R99 WeakPolarHBondContact O-CG 3.3Å; F93-R99 PolarHBondContact O-NH1 2.9Å; F93-W102 HydrophobicContact CE1-CD2 4.02Å; F93-W102 HydrophobicContact CE1-CE3 4.38Å; F93-W102 HydrophobicContact CE1-CG 4.19Å; F93-W102 HydrophobicContact CE2-CE3 4.34Å; F93-W102 HydrophobicContact CE2-CH2 4.44Å; F93-W102 HydrophobicContact CE2-CZ3 4.2Å; F93-W102 AromaticContact CZ-CD2 3.63Å; F93-W102 HydrophobicContact CZ-CD2 3.63Å; F93-W102 AromaticContact CZ-CE2 3.73Å; F93-W102 AromaticContact CZ-CE3 3.66Å; F93-W102 HydrophobicContact CZ-CE3 3.66Å; F93-W102 HydrophobicContact CZ-CG 4.29Å; F93-W102 AromaticContact CZ-CH2 3.92Å; F93-W102 HydrophobicContact CZ-CH2 3.92Å; F93-W102 AromaticContact CZ-CZ2 3.88Å; F93-W102 HydrophobicContact CZ-CZ2 3.88Å; F93-W102 AromaticContact CZ-CZ3 3.8Å; F93-W102 HydrophobicContact CZ-CZ3 3.8Å; F93-I137 HydrophobicContact CD1-CD1 4.03Å; F93-I137 HydrophobicContact CD2-CD1 3.89Å; F93-I137 HydrophobicContact CE1-CD1 3.77Å; F93-I137 HydrophobicContact CE2-CD1 3.61Å; F93-I137 HydrophobicContact CG-CD1 4.1Å; F93-I137 HydrophobicContact CZ-CD1 3.54Å
94A81.6Confident82Confident69 Ų6954.4 Ų54.457%0.5729%0.293SS*.Hα-helixtrans-68.3-32.2171.200000112.3A90 S91 L92 K96 R99A90-A94 VanDerWaalsContact O-CB 3.32Å; A90-A94 WeakPolarHBondContact O-CB 3.34Å; A90-A94 PolarHBondContact O-N 3.49Å; S91-A94 WeakPolarHBondContact O-CB 3.22Å; S91-A94 PolarHBondContact O-N 3.24Å; L92-A94 PolarHBondContact O-N 3.46Å; A94-K96 PolarHBondContact O-N 3.25Å; A94-R99 VanDerWaalsContact C-NH1 3.27Å; A94-R99 PolarHBondContact O-NH1 3.17Å
95F83.1Confident83.2Confident119 Ų11953.3 Ų53.352%0.52228%0.282SS..SBendtrans-71.4121.6177.5-62.3-73.3000111.4S91 L92 F93 S97 F98 R99S91-F95 WeakPolarHBondContact O-CD2 3.5Å; S91-F95 VanDerWaalsContact O-CE2 3.28Å; S91-F95 WeakPolarHBondContact O-CE2 3.45Å; L92-F95 PolarHBondContact O-N 3.16Å; L92-F95 VanDerWaalsContact O-N 3.17Å; F93-F95 VanDerWaalsContact C-N 3.34Å; F95-S97 VanDerWaalsContact C-N 3.3Å; F95-S97 PolarHBondContact O-N 3.01Å; F95-F98 HydrophobicContact CB-CB 3.96Å; F95-F98 WeakPolarHBondContact O-CB 3.47Å; F95-F98 PolarHBondContact O-N 2.8Å; F95-F98 VanDerWaalsContact O-N 3.13Å; F95-R99 PolarHBondContact O-N 2.89Å
96K85.1Confident84.3Confident130 Ų13055.5 Ų55.557%0.56529%0.29SS*.Hα-helixtrans-57.1-42.8177.7175.9175.6166175.70112.2A94 F98 R99 E100A94-K96 PolarHBondContact O-N 3.25Å; K96-F98 VanDerWaalsContact C-N 3.31Å; K96-F98 PolarHBondContact O-N 3.27Å; K96-R99 PolarHBondContact O-N 3.39Å; K96-E100 WeakPolarHBondContact CE-OE1 3.36Å; K96-E100 HydrophobicContact CG-CG 4.43Å; K96-E100 IonicContact NZ-OE1 2.65Å; K96-E100 PolarHBondContact NZ-OE1 3.32Å; K96-E100 WeakPolarHBondContact O-CG 3.34Å; K96-E100 PolarHBondContact O-N 3.46Å
97S86.2Confident85.4Confident69 Ų6950.8 Ų50.848%0.48327%0.274SS..Hα-helixtrans-62.5-35.1177.646.80000113F95 N101F95-S97 VanDerWaalsContact C-N 3.3Å; F95-S97 PolarHBondContact O-N 3.01Å; S97-N101 VanDerWaalsContact O-CB 3.28Å; S97-N101 WeakPolarHBondContact O-CB 3.46Å; S97-N101 PolarHBondContact O-N 3.05Å; S97-N101 PolarHBondContact O-ND2 3.34Å; S97-N101 PolarHBondContact O-OD1 2.99Å
98F88.7Confident86.3Confident13 Ų1354.6 Ų54.66%0.05728%0.277CS..Hα-helixtrans-64.9-48.4173.9-177-87.9000110.7L92 F93 F95 K96 E100 N101 W102 I205 M253 V255L92-F98 HydrophobicContact CB-CD1 4.21Å; L92-F98 HydrophobicContact CB-CD2 4.17Å; L92-F98 HydrophobicContact CB-CE1 4.02Å; L92-F98 HydrophobicContact CB-CE2 3.95Å; L92-F98 HydrophobicContact CB-CG 4.29Å; L92-F98 HydrophobicContact CB-CZ 3.89Å; L92-F98 HydrophobicContact CD1-CE2 4.25Å; L92-F98 HydrophobicContact CD1-CZ 4.27Å; L92-F98 HydrophobicContact CD2-CD2 4.31Å; L92-F98 HydrophobicContact CD2-CE2 4.18Å; L92-F98 HydrophobicContact CG-CE2 4.36Å; L92-F98 VanDerWaalsContact O-CB 3.23Å; L92-F98 WeakPolarHBondContact O-CB 3.27Å; L92-F98 WeakPolarHBondContact O-CD1 3.24Å; L92-F98 WeakPolarHBondContact O-CG 3.47Å; F93-F98 HydrophobicContact CD1-CD1 4.33Å; F93-F98 HydrophobicContact CD1-CE1 4.21Å; F93-F98 HydrophobicContact CD2-CD1 4.47Å; F93-F98 AromaticContact CD2-CE1 3.86Å; F93-F98 HydrophobicContact CD2-CE1 3.86Å; F93-F98 HydrophobicContact CE1-CE1 4.1Å; F93-F98 AromaticContact CE2-CE1 3.75Å; F93-F98 HydrophobicContact CE2-CE1 3.75Å; F93-F98 HydrophobicContact CE2-CZ 4.48Å; F93-F98 HydrophobicContact CG-CD1 4.3Å; F93-F98 HydrophobicContact CG-CE1 4.1Å; F93-F98 AromaticContact CZ-CE1 3.88Å; F93-F98 HydrophobicContact CZ-CE1 3.88Å; F95-F98 HydrophobicContact CB-CB 3.96Å; F95-F98 WeakPolarHBondContact O-CB 3.47Å; F95-F98 PolarHBondContact O-N 2.8Å; F95-F98 VanDerWaalsContact O-N 3.13Å; K96-F98 VanDerWaalsContact C-N 3.31Å; K96-F98 PolarHBondContact O-N 3.27Å; F98-E100 PolarHBondContact O-N 2.69Å; F98-N101 PolarHBondContact O-N 3.48Å; F98-W102 AromaticContact CE1-CE3 3.89Å; F98-W102 HydrophobicContact CE1-CE3 3.89Å; F98-W102 AromaticContact CZ-CE3 3.94Å; F98-W102 HydrophobicContact CZ-CE3 3.94Å; F98-W102 HydrophobicContact CZ-CZ3 4.39Å; F98-W102 WeakPolarHBondContact O-CB 3.47Å; F98-W102 PolarHBondContact O-N 3.05Å; F98-I205 HydrophobicContact CE2-CD1 3.75Å; F98-I205 HydrophobicContact CZ-CD1 4.05Å; F98-M253 HydrophobicContact CD2-CE 4.21Å; F98-M253 HydrophobicContact CE2-CE 4.11Å; F98-V255 HydrophobicContact CE2-CG2 4.23Å
99R86.8Confident87Confident76 Ų7654 Ų5429%0.28728%0.276SS..Hα-helixtrans-58.7-45.5177.1-61.8-165.3-62.5-82.95.3112.5F93 A94 F95 K96 N101 W102 Q103F93-R99 HydrophobicContact CD1-CG 4.16Å; F93-R99 VanDerWaalsContact O-CD 3.26Å; F93-R99 WeakPolarHBondContact O-CD 3.16Å; F93-R99 WeakPolarHBondContact O-CG 3.3Å; F93-R99 PolarHBondContact O-NH1 2.9Å; A94-R99 VanDerWaalsContact C-NH1 3.27Å; A94-R99 PolarHBondContact O-NH1 3.17Å; F95-R99 PolarHBondContact O-N 2.89Å; K96-R99 PolarHBondContact O-N 3.39Å; R99-N101 VanDerWaalsContact C-N 3.33Å; R99-N101 PolarHBondContact O-N 2.89Å; R99-W102 PolarHBondContact O-N 3.36Å; R99-Q103 WeakPolarHBondContact O-CG 3.47Å; R99-Q103 PolarHBondContact O-N 3.15Å
100E87.7Confident87.6Confident68 Ų6854.1 Ų54.132%0.31828%0.276SS..Hα-helixtrans-63.5-38176.6-71.7176.7163.600112.4K96 F98 R104K96-E100 WeakPolarHBondContact CE-OE1 3.36Å; K96-E100 HydrophobicContact CG-CG 4.43Å; K96-E100 IonicContact NZ-OE1 2.65Å; K96-E100 PolarHBondContact NZ-OE1 3.32Å; K96-E100 WeakPolarHBondContact O-CG 3.34Å; K96-E100 PolarHBondContact O-N 3.46Å; F98-E100 PolarHBondContact O-N 2.69Å; E100-R104 VanDerWaalsContact O-CB 3.24Å; E100-R104 WeakPolarHBondContact O-CB 3.28Å; E100-R104 PolarHBondContact O-N 2.84Å
101N89.8Confident88.3Confident72 Ų7253.2 Ų53.239%0.38526%0.263SS..Hα-helixtrans-71.4-38.6176.8-71.4-8.1000112.1S97 F98 R99 R104 A105 M253S97-N101 VanDerWaalsContact O-CB 3.28Å; S97-N101 WeakPolarHBondContact O-CB 3.46Å; S97-N101 PolarHBondContact O-N 3.05Å; S97-N101 PolarHBondContact O-ND2 3.34Å; S97-N101 PolarHBondContact O-OD1 2.99Å; F98-N101 PolarHBondContact O-N 3.48Å; R99-N101 VanDerWaalsContact C-N 3.33Å; R99-N101 PolarHBondContact O-N 2.89Å; N101-R104 CarbonylContact O-C 3.59Å; N101-R104 PolarHBondContact O-N 3.34Å; N101-R104 PolarHBondContact OD1-NH1 2.79Å; N101-A105 WeakPolarHBondContact O-CB 3.41Å; N101-A105 PolarHBondContact O-N 2.84Å; N101-M253 HydrophobicContact CB-CE 3.64Å
102W89.8Confident88.9Confident16 Ų1655.3 Ų55.36%0.06127%0.266CS..Hα-helixtrans-59.8-53.6174.1179-78.2000111.3F93 F98 R99 R104 A105 W106 L191 V193 I205 W207 M253F93-W102 HydrophobicContact CE1-CD2 4.02Å; F93-W102 HydrophobicContact CE1-CE3 4.38Å; F93-W102 HydrophobicContact CE1-CG 4.19Å; F93-W102 HydrophobicContact CE2-CE3 4.34Å; F93-W102 HydrophobicContact CE2-CH2 4.44Å; F93-W102 HydrophobicContact CE2-CZ3 4.2Å; F93-W102 AromaticContact CZ-CD2 3.63Å; F93-W102 HydrophobicContact CZ-CD2 3.63Å; F93-W102 AromaticContact CZ-CE2 3.73Å; F93-W102 AromaticContact CZ-CE3 3.66Å; F93-W102 HydrophobicContact CZ-CE3 3.66Å; F93-W102 HydrophobicContact CZ-CG 4.29Å; F93-W102 AromaticContact CZ-CH2 3.92Å; F93-W102 HydrophobicContact CZ-CH2 3.92Å; F93-W102 AromaticContact CZ-CZ2 3.88Å; F93-W102 HydrophobicContact CZ-CZ2 3.88Å; F93-W102 AromaticContact CZ-CZ3 3.8Å; F93-W102 HydrophobicContact CZ-CZ3 3.8Å; F98-W102 AromaticContact CE1-CE3 3.89Å; F98-W102 HydrophobicContact CE1-CE3 3.89Å; F98-W102 AromaticContact CZ-CE3 3.94Å; F98-W102 HydrophobicContact CZ-CE3 3.94Å; F98-W102 HydrophobicContact CZ-CZ3 4.39Å; F98-W102 WeakPolarHBondContact O-CB 3.47Å; F98-W102 PolarHBondContact O-N 3.05Å; R99-W102 PolarHBondContact O-N 3.36Å; W102-R104 VanDerWaalsContact C-N 3.31Å; W102-R104 PolarHBondContact O-N 2.86Å; W102-A105 WeakPolarHBondContact O-CB 3.4Å; W102-A105 PolarHBondContact O-N 2.87Å; W102-A105 VanDerWaalsContact O-N 3.1Å; W102-W106 PolarHBondContact O-N 2.96Å; W102-L191 HydrophobicContact CH2-CD2 4.45Å; W102-L191 HydrophobicContact CZ2-CD2 4.16Å; W102-V193 HydrophobicContact CH2-CG1 4.26Å; W102-V193 HydrophobicContact CH2-CG2 4.19Å; W102-V193 HydrophobicContact CZ3-CG1 4.44Å; W102-I205 HydrophobicContact CZ3-CG2 4Å; W102-W207 HydrophobicContact CB-CH2 4.5Å; W102-W207 HydrophobicContact CD2-CD2 4.36Å; W102-W207 AromaticContact CD2-CE2 3.96Å; W102-W207 HydrophobicContact CD2-CE3 4.37Å; W102-W207 AromaticContact CD2-CH2 3.59Å; W102-W207 HydrophobicContact CD2-CH2 3.59Å; W102-W207 AromaticContact CD2-CZ2 3.56Å; W102-W207 HydrophobicContact CD2-CZ2 3.56Å; W102-W207 HydrophobicContact CD2-CZ3 4.02Å; W102-W207 AromaticContact CE2-CD2 3.95Å; W102-W207 AromaticContact CE2-CE2 3.48Å; W102-W207 VanDerWaalsContact CE2-CE2 3.48Å; W102-W207 AromaticContact CE2-CZ2 3.53Å; W102-W207 AromaticContact CE2-NE1 3.85Å; W102-W207 HydrophobicContact CE3-CD2 4.27Å; W102-W207 AromaticContact CE3-CE3 3.9Å; W102-W207 HydrophobicContact CE3-CE3 3.9Å; W102-W207 AromaticContact CE3-CH2 3.59Å; W102-W207 HydrophobicContact CE3-CH2 3.59Å; W102-W207 AromaticContact CE3-CZ2 3.99Å; W102-W207 HydrophobicContact CE3-CZ2 3.99Å; W102-W207 AromaticContact CE3-CZ3 3.55Å; W102-W207 HydrophobicContact CE3-CZ3 3.55Å; W102-W207 HydrophobicContact CG-CH2 4.01Å; W102-W207 AromaticContact CG-CZ2 3.9Å; W102-W207 HydrophobicContact CG-CZ2 3.9Å; W102-W207 HydrophobicContact CH2-CB 4.04Å; W102-W207 AromaticContact CH2-CD2 3.35Å; W102-W207 HydrophobicContact CH2-CD2 3.35Å; W102-W207 AromaticContact CH2-CE2 3.83Å; W102-W207 AromaticContact CH2-CE3 3.49Å; W102-W207 HydrophobicContact CH2-CE3 3.49Å; W102-W207 VanDerWaalsContact CH2-CE3 3.49Å; W102-W207 AromaticContact CH2-CG 3.64Å; W102-W207 HydrophobicContact CH2-CG 3.64Å; W102-W207 HydrophobicContact CH2-CH2 4.45Å; W102-W207 HydrophobicContact CH2-CZ2 4.35Å; W102-W207 HydrophobicContact CH2-CZ3 4.06Å; W102-W207 HydrophobicContact CZ2-CB 4.4Å; W102-W207 AromaticContact CZ2-CD1 3.76Å; W102-W207 AromaticContact CZ2-CD2 3.45Å; W102-W207 HydrophobicContact CZ2-CD2 3.45Å; W102-W207 VanDerWaalsContact CZ2-CD2 3.45Å; W102-W207 AromaticContact CZ2-CE2 3.43Å; W102-W207 VanDerWaalsContact CZ2-CE2 3.43Å; W102-W207 HydrophobicContact CZ2-CE3 4.01Å; W102-W207 AromaticContact CZ2-CG 3.65Å; W102-W207 HydrophobicContact CZ2-CG 3.65Å; W102-W207 HydrophobicContact CZ2-CH2 4.44Å; W102-W207 AromaticContact CZ2-CZ2 3.96Å; W102-W207 HydrophobicContact CZ2-CZ2 3.96Å; W102-W207 HydrophobicContact CZ2-CZ3 4.47Å; W102-W207 AromaticContact CZ2-NE1 3.62Å; W102-W207 AromaticContact CZ3-CD2 3.8Å; W102-W207 HydrophobicContact CZ3-CD2 3.8Å; W102-W207 AromaticContact CZ3-CE3 3.43Å; W102-W207 HydrophobicContact CZ3-CE3 3.43Å; W102-W207 VanDerWaalsContact CZ3-CE3 3.43Å; W102-W207 HydrophobicContact CZ3-CG 4.49Å; W102-W207 HydrophobicContact CZ3-CH2 4.05Å; W102-W207 HydrophobicContact CZ3-CZ2 4.37Å; W102-W207 AromaticContact CZ3-CZ3 3.58Å; W102-W207 HydrophobicContact CZ3-CZ3 3.58Å; W102-W207 AromaticContact NE1-CE2 3.93Å; W102-W207 AromaticContact NE1-CZ2 3.8Å; W102-M253 HydrophobicContact CB-SD 4.21Å; W102-M253 HydrophobicContact CE3-SD 4.36Å
103Q88.8Confident89.2Confident22 Ų2256 Ų5610%0.10327%0.269CS..Hα-helixtrans-60.7-40.3177.1-64.5178.2-71.400111.8R99 A105 W106 V107 V128 P129R99-Q103 WeakPolarHBondContact O-CG 3.47Å; R99-Q103 PolarHBondContact O-N 3.15Å; Q103-A105 VanDerWaalsContact C-N 3.31Å; Q103-A105 PolarHBondContact O-N 2.87Å; Q103-W106 PolarHBondContact O-N 3.19Å; Q103-V107 WeakPolarHBondContact O-CG2 3.39Å; Q103-V107 PolarHBondContact O-N 3.42Å; Q103-V128 HydrophobicContact CB-CG1 3.53Å; Q103-V128 HydrophobicContact CG-CG1 4.49Å; Q103-P129 PolarHBondContact NE2-O 3.16Å
104R90.4Very high89.4Confident106 Ų10654.5 Ų54.540%0.426%0.263SS..Hα-helixtrans-72.2-21177.1-160.3-173.2-51.3103.16.1113.4E100 N101 W102 R108 V128E100-R104 VanDerWaalsContact O-CB 3.24Å; E100-R104 WeakPolarHBondContact O-CB 3.28Å; E100-R104 PolarHBondContact O-N 2.84Å; N101-R104 CarbonylContact O-C 3.59Å; N101-R104 PolarHBondContact O-N 3.34Å; N101-R104 PolarHBondContact OD1-NH1 2.79Å; W102-R104 VanDerWaalsContact C-N 3.31Å; W102-R104 PolarHBondContact O-N 2.86Å; R104-R108 WeakPolarHBondContact O-CG 3.34Å; R104-R108 PolarHBondContact O-N 3.31Å; R104-R108 PolarHBondContact O-NE 2.91Å; R104-R108 VanDerWaalsContact O-NE 3.11Å; R104-V128 HydrophobicContact CB-CG2 4.21Å; R104-V128 HydrophobicContact CG-CG2 4.16Å
105A93.2Very high89.4Confident1 Ų155 Ų551%0.00826%0.261CS..Hα-helixtrans-77.3-44.1170.500000111.2N101 W102 Q103 R108 A109 W207 M253N101-A105 WeakPolarHBondContact O-CB 3.41Å; N101-A105 PolarHBondContact O-N 2.84Å; W102-A105 WeakPolarHBondContact O-CB 3.4Å; W102-A105 PolarHBondContact O-N 2.87Å; W102-A105 VanDerWaalsContact O-N 3.1Å; Q103-A105 VanDerWaalsContact C-N 3.31Å; Q103-A105 PolarHBondContact O-N 2.87Å; A105-R108 VanDerWaalsContact CA-NH2 3.35Å; A105-R108 PolarHBondContact O-N 2.61Å; A105-A109 PolarHBondContact O-N 3.41Å; A105-W207 HydrophobicContact CB-CH2 3.87Å; A105-W207 HydrophobicContact CB-CZ2 4.38Å; A105-M253 HydrophobicContact CB-CB 3.96Å; A105-M253 HydrophobicContact CB-SD 4.33Å
106W92.3Very high89.1Confident47 Ų4757.8 Ų57.818%0.17827%0.268CS..Hα-helixtrans-59.4-48.4174.5-161.64.8000111.9W102 Q103 R108 A109 L110 W207 F209 I246 P251W102-W106 PolarHBondContact O-N 2.96Å; Q103-W106 PolarHBondContact O-N 3.19Å; W106-R108 VanDerWaalsContact C-N 3.28Å; W106-R108 PolarHBondContact O-N 3.32Å; W106-A109 PolarHBondContact O-N 3.27Å; W106-L110 HydrophobicContact CD2-CD1 4.49Å; W106-L110 HydrophobicContact CG-CD1 4.08Å; W106-L110 WeakPolarHBondContact O-CB 3.28Å; W106-L110 VanDerWaalsContact O-CG 3.26Å; W106-L110 WeakPolarHBondContact O-CG 3.25Å; W106-L110 PolarHBondContact O-N 3.13Å; W106-W207 HydrophobicContact CB-CZ2 4.36Å; W106-F209 HydrophobicContact CZ2-CE2 4.26Å; W106-F209 HydrophobicContact CZ2-CZ 4.26Å; W106-I246 HydrophobicContact CZ2-CG2 4.25Å; W106-P251 HydrophobicContact CB-CG 4.29Å; W106-P251 VanDerWaalsContact CD1-CG 3.4Å; W106-P251 HydrophobicContact CG-CG 4.02Å
107V92.5Very high88.3Confident16 Ų1653.9 Ų53.910%0.09725%0.254CS..Hα-helixtrans-62.1-31177.4169.20000113Q103 N111 F125Q103-V107 WeakPolarHBondContact O-CG2 3.39Å; Q103-V107 PolarHBondContact O-N 3.42Å; V107-N111 WeakPolarHBondContact O-CB 3.48Å; V107-N111 PolarHBondContact O-N 3.32Å; V107-N111 VanDerWaalsContact O-N 3.15Å; V107-N111 PolarHBondContact O-ND2 3.47Å; V107-F125 HydrophobicContact CG1-CB 4.07Å
108R92.8Very high87.3Confident117 Ų11754.8 Ų54.844%0.44227%0.274SS..Hα-helixtrans-68.9-50.6172.2-77.4179.8-61.9109.4-5.6111.4R104 A105 W106 L110 N111 E112R104-R108 WeakPolarHBondContact O-CG 3.34Å; R104-R108 PolarHBondContact O-N 3.31Å; R104-R108 PolarHBondContact O-NE 2.91Å; R104-R108 VanDerWaalsContact O-NE 3.11Å; A105-R108 VanDerWaalsContact CA-NH2 3.35Å; A105-R108 PolarHBondContact O-N 2.61Å; W106-R108 VanDerWaalsContact C-N 3.28Å; W106-R108 PolarHBondContact O-N 3.32Å; R108-L110 VanDerWaalsContact C-N 3.29Å; R108-L110 PolarHBondContact O-N 3.23Å; R108-N111 PolarHBondContact O-N 2.99Å; R108-N111 VanDerWaalsContact O-N 3.16Å; R108-E112 WeakPolarHBondContact O-CG 3.36Å; R108-E112 PolarHBondContact O-N 3.25Å
109A93.8Very high86.5Confident14 Ų1456.9 Ų56.912%0.11629%0.29CS..Hα-helixtrans-59.8-38.4177.500000112.6A105 W106 E112 Q113 T249 P251A105-A109 PolarHBondContact O-N 3.41Å; W106-A109 PolarHBondContact O-N 3.27Å; A109-E112 PolarHBondContact O-N 3.1Å; A109-Q113 WeakPolarHBondContact O-CB 3.36Å; A109-Q113 PolarHBondContact O-N 3.09Å; A109-T249 VanDerWaalsContact C-CG2 3.5Å; A109-T249 HydrophobicContact CB-CG2 4.14Å; A109-T249 VanDerWaalsContact O-CG2 3.29Å; A109-T249 WeakPolarHBondContact O-CG2 3.39Å; A109-P251 HydrophobicContact CB-CB 3.72Å; A109-P251 HydrophobicContact CB-CG 3.86Å
110L92.9Very high86Confident9 Ų957.3 Ų57.35%0.04731%0.305CS..Hα-helixtrans-61.6-45174.6-75166.7000112.1W106 R108 A114 F125 A245 I246 T249W106-L110 HydrophobicContact CD2-CD1 4.49Å; W106-L110 HydrophobicContact CG-CD1 4.08Å; W106-L110 WeakPolarHBondContact O-CB 3.28Å; W106-L110 VanDerWaalsContact O-CG 3.26Å; W106-L110 WeakPolarHBondContact O-CG 3.25Å; W106-L110 PolarHBondContact O-N 3.13Å; R108-L110 VanDerWaalsContact C-N 3.29Å; R108-L110 PolarHBondContact O-N 3.23Å; L110-A114 VanDerWaalsContact O-CB 3.26Å; L110-A114 WeakPolarHBondContact O-CB 3.24Å; L110-A114 PolarHBondContact O-N 2.71Å; L110-F125 HydrophobicContact CB-CD2 3.72Å; L110-F125 HydrophobicContact CB-CE2 3.77Å; L110-F125 HydrophobicContact CB-CG 4.16Å; L110-F125 HydrophobicContact CB-CZ 4.21Å; L110-F125 HydrophobicContact CD1-CD1 4.25Å; L110-F125 HydrophobicContact CD1-CE1 4.23Å; L110-F125 HydrophobicContact CD2-CE2 4.41Å; L110-F125 HydrophobicContact CD2-CZ 4.13Å; L110-A245 HydrophobicContact CD2-CB 4.05Å; L110-A245 VanDerWaalsContact CD2-O 3.31Å; L110-A245 WeakPolarHBondContact CD2-O 3.43Å; L110-I246 HydrophobicContact CD2-CG1 3.88Å; L110-T249 HydrophobicContact CD2-CG2 4.05Å; L110-T249 HydrophobicContact CG-CG2 4.34Å
111N92.6Very high85.9Confident40 Ų4055.4 Ų55.421%0.21430%0.297CS..Hα-helixtrans-66.5-41.5174.7-79.3-52.4000112.1V107 R108 A114 C115 A124 F125V107-N111 WeakPolarHBondContact O-CB 3.48Å; V107-N111 PolarHBondContact O-N 3.32Å; V107-N111 VanDerWaalsContact O-N 3.15Å; V107-N111 PolarHBondContact O-ND2 3.47Å; R108-N111 PolarHBondContact O-N 2.99Å; R108-N111 VanDerWaalsContact O-N 3.16Å; N111-A114 PolarHBondContact O-N 2.68Å; N111-C115 PolarHBondContact O-N 2.88Å; N111-C115 PolarHBondContact O-SG 3.16Å; N111-A124 VanDerWaalsContact OD1-CA 3.24Å; N111-A124 WeakPolarHBondContact OD1-CA 3.37Å; N111-A124 WeakPolarHBondContact OD1-CB 3.12Å; N111-F125 PolarHBondContact ND2-O 3.34Å; N111-F125 PolarHBondContact OD1-N 3.33Å
112E91.7Very high85.9Confident107 Ų10756.1 Ų56.150%0.530%0.297SS..Hα-helixtrans-62.7-41.8176.3-72.1165.6-144.500111.9R108 A109 C115R108-E112 WeakPolarHBondContact O-CG 3.36Å; R108-E112 PolarHBondContact O-N 3.25Å; A109-E112 PolarHBondContact O-N 3.1Å; E112-C115 PolarHBondContact O-N 3.05Å
113Q90.4Very high86Confident28 Ų2855.6 Ų55.613%0.13130%0.296CS..Hα-helixtrans-68.3-44.1175.1-175.265.31000111.7A109 C115 R116 T249A109-Q113 WeakPolarHBondContact O-CB 3.36Å; A109-Q113 PolarHBondContact O-N 3.09Å; Q113-C115 PolarHBondContact O-N 3.32Å; Q113-R116 WeakPolarHBondContact O-CB 3.35Å; Q113-R116 PolarHBondContact O-N 2.84Å; Q113-T249 HydrophobicContact CB-CG2 3.6Å; Q113-T249 HydrophobicContact CG-CG2 4.13Å
114A87.1Confident86.2Confident6 Ų655.9 Ų55.95%0.0530%0.302CS..Hα-helixtrans-61.6-24.1176.300000113.6L110 N111 I123L110-A114 VanDerWaalsContact O-CB 3.26Å; L110-A114 WeakPolarHBondContact O-CB 3.24Å; L110-A114 PolarHBondContact O-N 2.71Å; N111-A114 PolarHBondContact O-N 2.68Å; A114-I123 HydrophobicContact CB-CD1 4.4Å; A114-I123 HydrophobicContact CB-CG1 3.63Å; A114-I123 WeakPolarHBondContact CB-O 3.21Å
115C81.8Confident86.3Confident78 Ų7851.2 Ų51.253%0.52728%0.284SS..THydrogen-bonded Turntrans-80.6-13.7173.2-65.60000114.2N111 E112 Q113 Q122N111-C115 PolarHBondContact O-N 2.88Å; N111-C115 PolarHBondContact O-SG 3.16Å; E112-C115 PolarHBondContact O-N 3.05Å; Q113-C115 PolarHBondContact O-N 3.32Å; C115-Q122 PolarHBondContact SG-NE2 3.05Å
116R77.1Confident85.8Confident178 Ų17856.3 Ų56.367%0.67231%0.308SS*.THydrogen-bonded Turntrans-83.3-29.4176.4-68.2169.6178.2167.5-5.2112.5Q113 G118Q113-R116 WeakPolarHBondContact O-CB 3.35Å; Q113-R116 PolarHBondContact O-N 2.84Å; R116-G118 PolarHBondContact O-N 3.05Å
117N68.8Low85.1Confident49 Ų4958.9 Ų58.926%0.26232%0.322SS..SBendtrans-72.196.3176.7-68.25.8000108.4S119 D244N117-S119 PolarHBondContact O-N 3.27Å; N117-S119 PolarHBondContact O-OG 3.35Å; N117-D244 PolarHBondContact ND2-OD2 3.45Å
118G63.5Low84Confident87 Ų8760.6 Ų60.690%0.89733%0.333SS*.  trans-71.833.5-171.300000116.1R116R116-G118 PolarHBondContact O-N 3.05Å
119S71.8Confident82.6Confident58 Ų5855.9 Ų55.941%0.40632%0.317SS..SBendtrans-73158.7175.638.10000112.5N117 I121N117-S119 PolarHBondContact O-N 3.27Å; N117-S119 PolarHBondContact O-OG 3.35Å; S119-I121 WeakPolarHBondContact CB-O 3.18Å; S119-I121 PolarHBondContact O-N 2.83Å; S119-I121 PolarHBondContact OG-O 2.99Å
120S78.3Confident81Confident84 Ų8462.4 Ų62.459%0.58735%0.345SS*.SBendtrans-66.4-12.7170.852.10000113.7Q170S120-Q170 PolarHBondContact O-N 2.83Å
121I84.9Confident79.4Confident29 Ų2966.9 Ų66.915%0.14937%0.369CS..EExtended strand (participates in β ladder)trans-107.3123.9172.7-59160.1000107.2S119 V167 Q169 V233 L241S119-I121 WeakPolarHBondContact CB-O 3.18Å; S119-I121 PolarHBondContact O-N 2.83Å; S119-I121 PolarHBondContact OG-O 2.99Å; I121-V167 HydrophobicContact CG2-CG1 3.58Å; I121-Q169 HydrophobicContact CG1-CG 4.38Å; I121-V233 HydrophobicContact CD1-CG1 3.72Å; I121-V233 HydrophobicContact CD1-CG2 4.01Å; I121-V233 HydrophobicContact CG1-CG2 4.23Å; I121-L241 HydrophobicContact CG2-CD1 4.28Å
122Q89.1Confident78Confident86 Ų8666.6 Ų66.640%0.40237%0.369SS..EExtended strand (participates in β ladder)trans-117.4126175-175-179.315.700109C115 T168C115-Q122 PolarHBondContact SG-NE2 3.05Å; Q122-T168 PolarHBondContact N-O 2.93Å; Q122-T168 PolarHBondContact O-N 2.88Å
123I92Very high76.5Confident6 Ų665.8 Ų65.83%0.03137%0.373CS..EExtended strand (participates in β ladder)trans-94.9148.3173.970.5170.1000110.7A114 F125 V165 S166 V167 L241 I242A114-I123 HydrophobicContact CB-CD1 4.4Å; A114-I123 HydrophobicContact CB-CG1 3.63Å; A114-I123 WeakPolarHBondContact CB-O 3.21Å; I123-F125 HydrophobicContact CD1-CE2 3.95Å; I123-F125 HydrophobicContact CD1-CZ 4.07Å; I123-F125 HydrophobicContact CG1-CE2 4.34Å; I123-V165 HydrophobicContact CB-CG1 4.03Å; I123-S166 CarbonylContact C-O 3.51Å; I123-S166 WeakPolarHBondContact CA-O 3.37Å; I123-V167 HydrophobicContact CG2-CG2 4.26Å; I123-L241 HydrophobicContact CD1-CB 4.04Å; I123-L241 HydrophobicContact CG2-CB 4.31Å; I123-L241 HydrophobicContact CG2-CD1 4.25Å; I123-I242 HydrophobicContact CD1-CG1 3.81Å
124A92.8Very high75.8Confident27 Ų2772.4 Ų72.422%0.22340%0.397CS..EExtended strand (participates in β ladder)trans-141.2140.8171.500000112.1N111 V165 S166N111-A124 VanDerWaalsContact OD1-CA 3.24Å; N111-A124 WeakPolarHBondContact OD1-CA 3.37Å; N111-A124 WeakPolarHBondContact OD1-CB 3.12Å; A124-V165 CarbonylContact O-C 3.58Å; A124-V165 VanDerWaalsContact O-CA 3.3Å; A124-V165 WeakPolarHBondContact O-CA 3.19Å; A124-S166 PolarHBondContact N-O 3.01Å; A124-S166 PolarHBondContact O-N 3.2Å
125F92Very high75.6Confident8 Ų874.7 Ų74.74%0.03542%0.416CS..EExtended strand (participates in β ladder)trans-94.4101.9-179.2-60.8-102.4000108V107 L110 N111 I123 F163 V165 I242 A245V107-F125 HydrophobicContact CG1-CB 4.07Å; L110-F125 HydrophobicContact CB-CD2 3.72Å; L110-F125 HydrophobicContact CB-CE2 3.77Å; L110-F125 HydrophobicContact CB-CG 4.16Å; L110-F125 HydrophobicContact CB-CZ 4.21Å; L110-F125 HydrophobicContact CD1-CD1 4.25Å; L110-F125 HydrophobicContact CD1-CE1 4.23Å; L110-F125 HydrophobicContact CD2-CE2 4.41Å; L110-F125 HydrophobicContact CD2-CZ 4.13Å; N111-F125 PolarHBondContact ND2-O 3.34Å; N111-F125 PolarHBondContact OD1-N 3.33Å; I123-F125 HydrophobicContact CD1-CE2 3.95Å; I123-F125 HydrophobicContact CD1-CZ 4.07Å; I123-F125 HydrophobicContact CG1-CE2 4.34Å; F125-F163 HydrophobicContact CD1-CD2 4.01Å; F125-F163 AromaticContact CD1-CE2 3.73Å; F125-F163 HydrophobicContact CD1-CE2 3.73Å; F125-F163 HydrophobicContact CE1-CD2 4.42Å; F125-F163 AromaticContact CE1-CE2 3.68Å; F125-F163 HydrophobicContact CE1-CE2 3.68Å; F125-F163 HydrophobicContact CE1-CZ 4.35Å; F125-V165 HydrophobicContact CD1-CG2 3.91Å; F125-V165 HydrophobicContact CE1-CG2 4.08Å; F125-V165 HydrophobicContact CG-CG2 4.45Å; F125-I242 HydrophobicContact CE1-CG2 4.5Å; F125-A245 HydrophobicContact CE2-CB 4.22Å; F125-A245 HydrophobicContact CZ-CB 4.1Å
126E84.6Confident75.8Confident108 Ų10873.8 Ų73.851%0.50541%0.411SS..  trans-77.3-43-165.6-72.2-77.6172.600113.9P164 S166E126-P164 HydrophobicContact CB-CG 4.2Å; E126-P164 PolarHBondContact N-O 3.04Å; E126-S166 WeakPolarHBondContact OE1-CB 3.43Å; E126-S166 PolarHBondContact OE1-OG 2.81Å
127E75.7Confident76.3Confident101 Ų10167.6 Ų67.647%0.47239%0.39SS..SBendtrans-115.9147.7-176.5-65.2174.6-158.800110.6P164E127-P164 HydrophobicContact CB-CG 3.67Å; E127-P164 HydrophobicContact CG-CG 3.63Å
128V70Confident77.1Confident53 Ų5366.8 Ų66.832%0.32139%0.388SS..PPolyproline II helixtrans-61.6123.9164.4-179.30000107.4Q103 R104 Q130Q103-V128 HydrophobicContact CB-CG1 3.53Å; Q103-V128 HydrophobicContact CG-CG1 4.49Å; R104-V128 HydrophobicContact CB-CG2 4.21Å; R104-V128 HydrophobicContact CG-CG2 4.16Å; V128-Q130 PolarHBondContact O-N 3.22Å
129P63.9Low78.2Confident18 Ų1867.7 Ų67.712%0.11737%0.369CS..PPolyproline II helixtrans-52.7128.9-176.514.6-27.7000110.6Q103 L131 V161 F163Q103-P129 PolarHBondContact NE2-O 3.16Å; P129-L131 PolarHBondContact O-N 3.29Å; P129-V161 HydrophobicContact CB-CG1 3.95Å; P129-F163 HydrophobicContact CB-CB 4.11Å; P129-F163 HydrophobicContact CB-CD1 4.44Å
130Q59.8Low78.9Confident150 Ų15065.1 Ų65.170%0.70135%0.351SS*.PPolyproline II helixtrans-56.6141.4177.9-64.2-166.915.600109.1V128V128-Q130 PolarHBondContact O-N 3.22Å
131L58.9Low79.4Confident103 Ų10363.5 Ų63.554%0.53934%0.338SS..  trans-49.2115.9-165.7-136.579.9000110P129P129-L131 PolarHBondContact O-N 3.29Å
132P64.1Low79.5Confident34 Ų3462.9 Ų62.922%0.22134%0.335CS..  trans-60.4132.1-167.521.8-34000110.1R134 A135 V161P132-R134 PolarHBondContact O-N 2.95Å; P132-A135 HydrophobicContact CB-CB 4.02Å; P132-A135 HydrophobicContact CG-CB 3.55Å; P132-V161 HydrophobicContact CB-CG1 4.49Å; P132-V161 HydrophobicContact CB-CG2 4.06Å
133P61Low79.5Confident91 Ų9161.9 Ų61.959%0.59134%0.335SS*.SBendtrans-63-29.2-170.124.9-34.1000112E160P133-E160 HydrophobicContact CG-CB 4.38Å
134R74Confident79.2Confident166 Ų16665.9 Ų65.963%0.62636%0.357SS*.EExtended strand (participates in β ladder)trans-139.3110.3167.5-67.5165.7173.6-178.1-1.1108.4P132 A158 E159P132-R134 PolarHBondContact O-N 2.95Å; R134-A158 CarbonylContact O-C 3.57Å; R134-A158 WeakPolarHBondContact O-CA 3.35Å; R134-E159 HydrophobicContact CB-CB 4.25Å; R134-E159 HydrophobicContact CB-CG 4.49Å; R134-E159 WeakPolarHBondContact CD-OE2 3.49Å; R134-E159 IonicContact CZ-OE2 3.58Å; R134-E159 IonicContact NE-OE2 2.64Å; R134-E159 IonicContact NH1-OE1 3.11Å; R134-E159 IonicContact NH1-OE2 2.82Å; R134-E159 PolarHBondContact NH1-OE2 3.29Å; R134-E159 PolarHBondContact O-N 3.13Å
135A84.4Confident78.8Confident55 Ų5566.2 Ų66.246%0.45535%0.354SS..EExtended strand (participates in β ladder)trans-132.9141.6162.600000108.9P132 S157 A158P132-A135 HydrophobicContact CB-CB 4.02Å; P132-A135 HydrophobicContact CG-CB 3.55Å; A135-S157 CarbonylContact C-O 3.56Å; A135-S157 VanDerWaalsContact CA-O 3.25Å; A135-S157 WeakPolarHBondContact CA-O 3.47Å; A135-A158 HydrophobicContact CB-CB 3.92Å
136S85.3Confident78.4Confident59 Ų5968.9 Ų68.941%0.41337%0.373SS..EExtended strand (participates in β ladder)trans-140.9149.3-178.784.10000112S157S136-S157 PolarHBondContact N-O 3.23Å; S136-S157 PolarHBondContact O-N 3.2Å; S136-S157 PolarHBondContact O-OG 2.7Å; S136-S157 PolarHBondContact OG-OG 3.25Å
137I87.8Confident78.2Confident47 Ų4770.2 Ų70.224%0.24138%0.38CS..EExtended strand (participates in β ladder)trans-121.9117.7173.3-59.6173.4000106.7L89 F93 V140 C154 Q155 L156L89-I137 HydrophobicContact CD2-CG2 3.99Å; F93-I137 HydrophobicContact CD1-CD1 4.03Å; F93-I137 HydrophobicContact CD2-CD1 3.89Å; F93-I137 HydrophobicContact CE1-CD1 3.77Å; F93-I137 HydrophobicContact CE2-CD1 3.61Å; F93-I137 HydrophobicContact CG-CD1 4.1Å; F93-I137 HydrophobicContact CZ-CD1 3.54Å; I137-V140 HydrophobicContact CG2-CG2 4.1Å; I137-C154 HydrophobicContact CG2-CB 3.73Å; I137-Q155 WeakPolarHBondContact CA-O 3.48Å; I137-L156 HydrophobicContact CG1-CD1 3.89Å
138S85.9Confident78.5Confident32 Ų3269.6 Ų69.622%0.22438%0.376CS..EExtended strand (participates in β ladder)trans-123.6174.6179.661.70000111.2V140 C154 Q155S138-V140 VanDerWaalsContact C-N 3.26Å; S138-V140 PolarHBondContact O-N 2.88Å; S138-V140 VanDerWaalsContact O-N 3.12Å; S138-C154 WeakPolarHBondContact O-CB 3.37Å; S138-Q155 PolarHBondContact N-O 3.48Å; S138-Q155 PolarHBondContact O-N 3.43Å; S138-Q155 WeakPolarHBondContact OG-CB 3.44Å
139H85.1Confident79.3Confident107 Ų10769.2 Ų69.250%0.49537%0.374SS..EExtended strand (participates in β ladder)trans52.841.5170.5-54.5-41.2000114.4E81 T141 Q155E81-H139 VanDerWaalsContact OE1-CA 3.27Å; E81-H139 WeakPolarHBondContact OE1-CA 3.22Å; E81-H139 IonicContact OE1-CE1 3.25Å; E81-H139 IonicContact OE1-CG 2.72Å; E81-H139 PolarHBondContact OE1-N 2.9Å; E81-H139 IonicContact OE1-ND1 3.4Å; E81-H139 PolarHBondContact OE1-ND1 2.79Å; H139-T141 PolarHBondContact O-N 3.4Å; H139-Q155 HydrophobicContact CB-CB 4.44Å; H139-Q155 HydrophobicContact CB-CG 4.08Å
140V88.2Confident80.5Confident4 Ų468.4 Ų68.42%0.02437%0.369CS..EExtended strand (participates in β ladder)trans-69.4119.9177.4-171.80000109.3V85 R86 L89 I137 S138 R153 C154V85-V140 HydrophobicContact CG1-CG1 4.16Å; R86-V140 HydrophobicContact CB-CB 4.12Å; R86-V140 HydrophobicContact CG-CB 4.36Å; R86-V140 HydrophobicContact CG-CG2 4.28Å; L89-V140 HydrophobicContact CB-CG1 4.34Å; L89-V140 HydrophobicContact CD2-CG1 3.9Å; L89-V140 HydrophobicContact CD2-CG2 3.82Å; I137-V140 HydrophobicContact CG2-CG2 4.1Å; S138-V140 VanDerWaalsContact C-N 3.26Å; S138-V140 PolarHBondContact O-N 2.88Å; S138-V140 VanDerWaalsContact O-N 3.12Å; V140-R153 CarbonylContact C-O 3.56Å; V140-R153 WeakPolarHBondContact CA-O 3.18Å; V140-C154 HydrophobicContact CB-CB 4.44Å; V140-C154 HydrophobicContact CG2-CB 3.96Å
141T87.8Confident82.1Confident50 Ų5062.4 Ų62.431%0.30734%0.342SS..EExtended strand (participates in β ladder)trans-131.3147.1-179.552.80000109.8H139 L152 R153H139-T141 PolarHBondContact O-N 3.4Å; T141-L152 CarbonylContact O-C 3.6Å; T141-L152 VanDerWaalsContact O-CA 3.3Å; T141-L152 WeakPolarHBondContact O-CA 3.28Å; T141-R153 PolarHBondContact N-O 3.11Å; T141-R153 PolarHBondContact O-N 3.48Å; T141-R153 PolarHBondContact OG1-O 3.41Å; T141-R153 VanDerWaalsContact OG1-O 3.09Å
142C86.9Confident83.6Confident15 Ų1557.5 Ų57.510%0.10132%0.317CS..EExtended strand (participates in β ladder)trans-94.9118.7170.1-177.40000108V85 M150 L152V85-C142 HydrophobicContact CG1-CB 4.4Å; V85-C142 HydrophobicContact CG2-CB 4.3Å; C142-M150 HydrophobicContact CB-CE 4.01Å; C142-M150 VanDerWaalsContact SG-CE 3.51Å; C142-L152 HydrophobicContact CB-CD2 4.27Å
143V88.8Confident84.9Confident65 Ų6560.2 Ų60.239%0.39432%0.323SS..EExtended strand (participates in β ladder)trans-100.5-33.3179.9-63.80000112.7V151 R153V143-V151 HydrophobicContact CG2-CB 3.84Å; V143-V151 HydrophobicContact CG2-CG1 3.37Å; V143-V151 WeakPolarHBondContact CG2-O 3.14Å; V143-V151 PolarHBondContact N-O 2.84Å; V143-R153 HydrophobicContact CG1-CB 4.29Å; V143-R153 HydrophobicContact CG1-CG 3.94Å; V143-R153 HydrophobicContact CG2-CG 4Å
144D85.6Confident86.4Confident91 Ų9156 Ų5649%0.48730%0.295SS..EExtended strand (participates in β ladder)trans-142.1152.4173.7-171.929.4000111.6M150 V151D144-M150 WeakPolarHBondContact O-CA 3.47Å; D144-V151 HydrophobicContact CB-CB 4.02Å; D144-V151 HydrophobicContact CB-CG2 4Å; D144-V151 PolarHBondContact O-N 3.12Å
145Q85Confident87.3Confident34 Ų3450.3 Ų50.316%0.15928%0.276CS..EExtended strand (participates in β ladder)trans-157.7112.5-177.1-171173.540.800111.5L70 T149 M150L70-Q145 HydrophobicContact CD2-CG 3.75Å; Q145-T149 CarbonylContact C-O 3.53Å; Q145-T149 WeakPolarHBondContact CA-O 3.26Å; Q145-M150 HydrophobicContact CG-CG 4.42Å
146S84Confident87.6Confident64 Ų6448.8 Ų48.845%0.44826%0.26SS..  trans-101.1-175.2171.2-167.20000110.8H148 T149S146-H148 VanDerWaalsContact C-N 3.29Å; S146-H148 PolarHBondContact O-N 3.38Å; S146-T149 WeakPolarHBondContact CB-OG1 3.23Å; S146-T149 PolarHBondContact N-O 3.05Å
147E79.6Confident87.9Confident136 Ų13647 Ų4764%0.63625%0.247SC*.SBendtrans-65-33.6178.4-57.7-159.5116.400112.7
148H82.2Confident88Confident88 Ų8845.3 Ų45.341%0.40724%0.24SC..SBendtrans-123.41.4-178.3-59.9-69.3000114.2W66 S146 E196 E197W66-H148 WeakPolarHBondContact CZ2-O 3.4Å; S146-H148 VanDerWaalsContact C-N 3.29Å; S146-H148 PolarHBondContact O-N 3.38Å; H148-E196 CarbonylContact O-C 3.58Å; H148-E196 WeakPolarHBondContact O-CA 3.38Å; H148-E197 HydrophobicContact CB-CB 4.02Å; H148-E197 IonicContact CE1-OE2 2.68Å; H148-E197 IonicContact ND1-OE2 2.6Å; H148-E197 PolarHBondContact ND1-OE2 2.83Å; H148-E197 PolarHBondContact O-N 2.87Å
149T87.6Confident88.2Confident45 Ų4548 Ų4828%0.27625%0.249SC..EExtended strand (participates in β ladder)trans-133.9151.6179.267.30000113W66 Q145 S146 L195 E196W66-T149 VanDerWaalsContact CH2-CA 3.44Å; W66-T149 WeakPolarHBondContact CZ3-O 3.33Å; Q145-T149 CarbonylContact C-O 3.53Å; Q145-T149 WeakPolarHBondContact CA-O 3.26Å; S146-T149 WeakPolarHBondContact CB-OG1 3.23Å; S146-T149 PolarHBondContact N-O 3.05Å; T149-L195 CarbonylContact C-O 3.57Å; T149-L195 VanDerWaalsContact CA-O 3.23Å; T149-L195 WeakPolarHBondContact CA-O 3.33Å; T149-E196 HydrophobicContact CG2-CB 4.2Å; T149-E196 HydrophobicContact CG2-CG 4.05Å
150M88.8Confident88.4Confident1 Ų147.4 Ų47.41%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-150.9121.7-179.8-175.8-179.9-160.200109.4W66 V85 C142 D144 Q145 L152 L195W66-M150 HydrophobicContact CH2-CB 3.58Å; W66-M150 HydrophobicContact CZ3-CB 3.65Å; V85-M150 HydrophobicContact CB-CE 4.44Å; V85-M150 HydrophobicContact CG1-CE 3.87Å; V85-M150 HydrophobicContact CG2-CE 3.67Å; C142-M150 HydrophobicContact CB-CE 4.01Å; C142-M150 VanDerWaalsContact SG-CE 3.51Å; D144-M150 WeakPolarHBondContact O-CA 3.47Å; Q145-M150 HydrophobicContact CG-CG 4.42Å; M150-L152 HydrophobicContact CE-CD2 3.84Å; M150-L152 HydrophobicContact CG-CD2 3.81Å; M150-L152 HydrophobicContact SD-CD2 4.02Å; M150-L195 HydrophobicContact CB-CB 4.27Å; M150-L195 HydrophobicContact CB-CD1 4.5Å; M150-L195 PolarHBondContact N-O 3.18Å; M150-L195 WeakPolarHBondContact O-CB 3.34Å; M150-L195 PolarHBondContact O-N 3.08Å; M150-L195 HydrophobicContact SD-CD1 4.36Å
151V92.3Very high88.4Confident23 Ų2348 Ų4814%0.13925%0.25CS..EExtended strand (participates in β ladder)trans-101.8115.6-178.6-178.70000108.4V143 D144 E192 N194V143-V151 HydrophobicContact CG2-CB 3.84Å; V143-V151 HydrophobicContact CG2-CG1 3.37Å; V143-V151 WeakPolarHBondContact CG2-O 3.14Å; V143-V151 PolarHBondContact N-O 2.84Å; D144-V151 HydrophobicContact CB-CB 4.02Å; D144-V151 HydrophobicContact CB-CG2 4Å; D144-V151 PolarHBondContact O-N 3.12Å; V151-E192 HydrophobicContact CG1-CG 3.59Å; V151-N194 WeakPolarHBondContact CG1-OD1 3.31Å
152L91.4Very high88.5Confident0 Ų051.5 Ų51.50%026%0.258CS..EExtended strand (participates in β ladder)trans-102.8141.4176.4-53.1-171.4000110.2V85 L89 T141 C142 M150 E192 V193 L195V85-L152 HydrophobicContact CG1-CD1 4.09Å; V85-L152 HydrophobicContact CG1-CD2 3.36Å; V85-L152 HydrophobicContact CG1-CG 4.36Å; L89-L152 HydrophobicContact CD1-CD1 4.34Å; T141-L152 CarbonylContact O-C 3.6Å; T141-L152 VanDerWaalsContact O-CA 3.3Å; T141-L152 WeakPolarHBondContact O-CA 3.28Å; C142-L152 HydrophobicContact CB-CD2 4.27Å; M150-L152 HydrophobicContact CE-CD2 3.84Å; M150-L152 HydrophobicContact CG-CD2 3.81Å; M150-L152 HydrophobicContact SD-CD2 4.02Å; L152-E192 CarbonylContact O-C 3.53Å; L152-E192 WeakPolarHBondContact O-CA 3.48Å; L152-V193 HydrophobicContact CB-CB 4.33Å; L152-V193 PolarHBondContact N-O 3.41Å; L152-V193 PolarHBondContact O-N 2.6Å; L152-L195 HydrophobicContact CD1-CD1 3.94Å; L152-L195 HydrophobicContact CG-CD1 4.27Å
153R92.3Very high88.6Confident92 Ų9251.6 Ų51.635%0.34726%0.256SS..EExtended strand (participates in β ladder)trans-116.8135.3164.3-65.9-170.4-177.2161.2-2.6110.1V140 T141 V143 L191 E192V140-R153 CarbonylContact C-O 3.56Å; V140-R153 WeakPolarHBondContact CA-O 3.18Å; T141-R153 PolarHBondContact N-O 3.11Å; T141-R153 PolarHBondContact O-N 3.48Å; T141-R153 PolarHBondContact OG1-O 3.41Å; T141-R153 VanDerWaalsContact OG1-O 3.09Å; V143-R153 HydrophobicContact CG1-CB 4.29Å; V143-R153 HydrophobicContact CG1-CG 3.94Å; V143-R153 HydrophobicContact CG2-CG 4Å; R153-L191 WeakPolarHBondContact CA-O 3.39Å; R153-E192 HydrophobicContact CG-CB 4.43Å; R153-E192 HydrophobicContact CG-CG 4.33Å; R153-E192 IonicContact CZ-OE2 2.71Å; R153-E192 IonicContact NE-OE2 2.64Å; R153-E192 PolarHBondContact NE-OE2 3.22Å; R153-E192 IonicContact NH2-OE2 2.66Å; R153-E192 PolarHBondContact NH2-OE2 3.49Å
154C91.3Very high88.8Confident2 Ų248.8 Ų48.81%0.01424%0.24CC..EExtended strand (participates in β ladder)trans-142.5167.6176.962.30000111.2I137 S138 V140 L191I137-C154 HydrophobicContact CG2-CB 3.73Å; S138-C154 WeakPolarHBondContact O-CB 3.37Å; V140-C154 HydrophobicContact CB-CB 4.44Å; V140-C154 HydrophobicContact CG2-CB 3.96Å; C154-L191 PolarHBondContact N-O 2.88Å; C154-L191 PolarHBondContact O-N 2.84Å
155Q92.3Very high89.1Confident47 Ų4744.4 Ų44.422%0.2222%0.216CC..EExtended strand (participates in β ladder)trans-101.5117.1174.1-72.4-70-17.400108.7I137 S138 H139 T189I137-Q155 WeakPolarHBondContact CA-O 3.48Å; S138-Q155 PolarHBondContact N-O 3.48Å; S138-Q155 PolarHBondContact O-N 3.43Å; S138-Q155 WeakPolarHBondContact OG-CB 3.44Å; H139-Q155 HydrophobicContact CB-CB 4.44Å; H139-Q155 HydrophobicContact CB-CG 4.08Å; Q155-T189 VanDerWaalsContact OE1-N 3.15Å; Q155-T189 PolarHBondContact OE1-O 3.15Å
156L91.4Very high89.5Confident22 Ų2242.9 Ų42.912%0.11521%0.209CC..EExtended strand (participates in β ladder)trans-99136.7177.6178.964.6000109.6I137 L186 P188 T189 L191 F209I137-L156 HydrophobicContact CG1-CD1 3.89Å; L156-L186 HydrophobicContact CD2-CD2 3.78Å; L156-L186 HydrophobicContact CG-CD2 3.82Å; L156-P188 WeakPolarHBondContact O-CA 3.37Å; L156-T189 PolarHBondContact N-O 3.45Å; L156-T189 PolarHBondContact O-N 2.83Å; L156-T189 PolarHBondContact O-OG1 2.95Å; L156-L191 HydrophobicContact CB-CB 4.35Å; L156-L191 HydrophobicContact CD2-CD2 4.34Å; L156-F209 HydrophobicContact CD2-CE1 4.31Å; L156-F209 HydrophobicContact CD2-CZ 4.47Å
157S91.1Very high89.8Confident22 Ų2240.1 Ų40.115%0.15419%0.19CC..EExtended strand (participates in β ladder)trans-143.3145.7173.751.50000110.7A135 S136 L186A135-S157 CarbonylContact C-O 3.56Å; A135-S157 VanDerWaalsContact CA-O 3.25Å; A135-S157 WeakPolarHBondContact CA-O 3.47Å; S136-S157 PolarHBondContact N-O 3.23Å; S136-S157 PolarHBondContact O-N 3.2Å; S136-S157 PolarHBondContact O-OG 2.7Å; S136-S157 PolarHBondContact OG-OG 3.25Å; S157-L186 WeakPolarHBondContact CA-O 3.45Å
158A90.9Very high90.3Very high11 Ų1135.3 Ų35.39%0.09117%0.17CC..EExtended strand (participates in β ladder)trans-153.6127.9175.200000112.5R134 A135 V161 T185 L186R134-A158 CarbonylContact O-C 3.57Å; R134-A158 WeakPolarHBondContact O-CA 3.35Å; A135-A158 HydrophobicContact CB-CB 3.92Å; A158-V161 HydrophobicContact CB-CG2 3.49Å; A158-V161 VanDerWaalsContact CB-CG2 3.49Å; A158-T185 WeakPolarHBondContact O-CA 3.45Å; A158-L186 HydrophobicContact CB-CB 4.38Å; A158-L186 PolarHBondContact N-O 2.87Å; A158-L186 PolarHBondContact O-N 2.8Å
159E90.3Very high90.5Very high89 Ų8934 Ų3442%0.41616%0.164SC..EExtended strand (participates in β ladder)trans-100.8138.4178.4-59.8173.5-16500111.1R134 V161R134-E159 HydrophobicContact CB-CB 4.25Å; R134-E159 HydrophobicContact CB-CG 4.49Å; R134-E159 WeakPolarHBondContact CD-OE2 3.49Å; R134-E159 IonicContact CZ-OE2 3.58Å; R134-E159 IonicContact NE-OE2 2.64Å; R134-E159 IonicContact NH1-OE1 3.11Å; R134-E159 IonicContact NH1-OE2 2.82Å; R134-E159 PolarHBondContact NH1-OE2 3.29Å; R134-E159 PolarHBondContact O-N 3.13Å; E159-V161 VanDerWaalsContact C-N 3.34Å; E159-V161 PolarHBondContact O-N 2.72Å
160E88.3Confident90.2Very high95 Ų9538.9 Ų38.944%0.44418%0.183SC..EExtended strand (participates in β ladder)trans5043.3173.9-50.1-169.7165.500115.9P133 R162 T183 L184 T185P133-E160 HydrophobicContact CG-CB 4.38Å; E160-R162 VanDerWaalsContact CB-NH1 3.35Å; E160-R162 PolarHBondContact O-N 2.81Å; E160-R162 PolarHBondContact O-NH1 2.95Å; E160-R162 IonicContact OE1-NH2 2.71Å; E160-R162 IonicContact OE2-CZ 2.81Å; E160-R162 IonicContact OE2-NH1 3.69Å; E160-R162 PolarHBondContact OE2-NH1 3.09Å; E160-R162 IonicContact OE2-NH2 3.29Å; E160-R162 PolarHBondContact OE2-NH2 3.28Å; E160-T183 HydrophobicContact CB-CG2 4.38Å; E160-L184 PolarHBondContact N-O 2.81Å; E160-T185 PolarHBondContact N-OG1 3.5Å; E160-T185 VanDerWaalsContact N-OG1 3.13Å
161V88.8Confident89.8Confident16 Ų1641.6 Ų41.610%0.09720%0.202CC..EExtended strand (participates in β ladder)trans-68.4112.6174.9-165.40000109P129 P132 A158 E159 F163 T183 L184P129-V161 HydrophobicContact CB-CG1 3.95Å; P132-V161 HydrophobicContact CB-CG1 4.49Å; P132-V161 HydrophobicContact CB-CG2 4.06Å; A158-V161 HydrophobicContact CB-CG2 3.49Å; A158-V161 VanDerWaalsContact CB-CG2 3.49Å; E159-V161 VanDerWaalsContact C-N 3.34Å; E159-V161 PolarHBondContact O-N 2.72Å; V161-F163 HydrophobicContact CG1-CD1 4.28Å; V161-T183 WeakPolarHBondContact O-CA 3.39Å; V161-L184 HydrophobicContact CB-CB 4.33Å; V161-L184 PolarHBondContact N-O 3.13Å; V161-L184 PolarHBondContact O-N 2.82Å
162R89.1Confident89.1Confident124 Ų12447.5 Ų47.547%0.46824%0.242SC..EExtended strand (participates in β ladder)trans-105.5126.3-177.1-69.2172.6-177.993.6-7111.1E160 V182 T183E160-R162 VanDerWaalsContact CB-NH1 3.35Å; E160-R162 PolarHBondContact O-N 2.81Å; E160-R162 PolarHBondContact O-NH1 2.95Å; E160-R162 IonicContact OE1-NH2 2.71Å; E160-R162 IonicContact OE2-CZ 2.81Å; E160-R162 IonicContact OE2-NH1 3.69Å; E160-R162 PolarHBondContact OE2-NH1 3.09Å; E160-R162 IonicContact OE2-NH2 3.29Å; E160-R162 PolarHBondContact OE2-NH2 3.28Å; R162-V182 WeakPolarHBondContact CA-O 3.5Å; R162-T183 HydrophobicContact CG-CG2 4.05Å
163F90.3Very high88.5Confident16 Ų1652.3 Ų52.37%0.0728%0.281CS..EExtended strand (participates in β ladder)trans-147.8153.417654.2-86.9000112.1F125 P129 V161 V165 V182 L184F125-F163 HydrophobicContact CD1-CD2 4.01Å; F125-F163 AromaticContact CD1-CE2 3.73Å; F125-F163 HydrophobicContact CD1-CE2 3.73Å; F125-F163 HydrophobicContact CE1-CD2 4.42Å; F125-F163 AromaticContact CE1-CE2 3.68Å; F125-F163 HydrophobicContact CE1-CE2 3.68Å; F125-F163 HydrophobicContact CE1-CZ 4.35Å; P129-F163 HydrophobicContact CB-CB 4.11Å; P129-F163 HydrophobicContact CB-CD1 4.44Å; V161-F163 HydrophobicContact CG1-CD1 4.28Å; F163-V165 HydrophobicContact CD2-CG2 3.83Å; F163-V165 HydrophobicContact CE2-CG2 3.71Å; F163-V182 HydrophobicContact CD2-CB 4.06Å; F163-V182 HydrophobicContact CD2-CG2 4.24Å; F163-V182 HydrophobicContact CE1-CB 4.39Å; F163-V182 HydrophobicContact CE1-CG1 4.29Å; F163-V182 HydrophobicContact CE2-CB 3.72Å; F163-V182 HydrophobicContact CE2-CG1 3.95Å; F163-V182 HydrophobicContact CE2-CG2 3.9Å; F163-V182 HydrophobicContact CZ-CB 3.91Å; F163-V182 HydrophobicContact CZ-CG1 3.7Å; F163-V182 PolarHBondContact N-O 2.91Å; F163-V182 VanDerWaalsContact N-O 3.08Å; F163-V182 PolarHBondContact O-N 2.9Å; F163-L184 HydrophobicContact CE1-CB 3.88Å; F163-L184 HydrophobicContact CE1-CD2 4.13Å; F163-L184 HydrophobicContact CZ-CB 4.45Å
164P92.3Very high88Confident6 Ų650.5 Ų50.54%0.03929%0.286CS..EExtended strand (participates in β ladder)trans-86.4138.4171.733.4-30.9000111.8E126 E127 Y180 K222E126-P164 HydrophobicContact CB-CG 4.2Å; E126-P164 PolarHBondContact N-O 3.04Å; E127-P164 HydrophobicContact CB-CG 3.67Å; E127-P164 HydrophobicContact CG-CG 3.63Å; P164-Y180 WeakPolarHBondContact CA-O 3.3Å; P164-K222 VanDerWaalsContact CB-NZ 3.35Å
165V93Very high87.7Confident0 Ų055 Ų550%031%0.313CS..EExtended strand (participates in β ladder)trans-117.3132.7167.6170.90000108.2I123 A124 F125 F163 V167 T179 Y180 V182 I242I123-V165 HydrophobicContact CB-CG1 4.03Å; A124-V165 CarbonylContact O-C 3.58Å; A124-V165 VanDerWaalsContact O-CA 3.3Å; A124-V165 WeakPolarHBondContact O-CA 3.19Å; F125-V165 HydrophobicContact CD1-CG2 3.91Å; F125-V165 HydrophobicContact CE1-CG2 4.08Å; F125-V165 HydrophobicContact CG-CG2 4.45Å; F163-V165 HydrophobicContact CD2-CG2 3.83Å; F163-V165 HydrophobicContact CE2-CG2 3.71Å; V165-V167 HydrophobicContact CG1-CG2 4.29Å; V165-T179 WeakPolarHBondContact O-CA 3.4Å; V165-Y180 PolarHBondContact N-O 2.87Å; V165-Y180 VanDerWaalsContact N-O 3.08Å; V165-Y180 PolarHBondContact O-N 2.88Å; V165-V182 HydrophobicContact CB-CG2 3.94Å; V165-V182 HydrophobicContact CG2-CG2 3.55Å; V165-I242 HydrophobicContact CG1-CD1 4.45Å; V165-I242 HydrophobicContact CG2-CD1 4.21Å
166S92.1Very high87.4Confident2 Ų256 Ų561%0.01433%0.325CS..EExtended strand (participates in β ladder)trans-91.8142.9164.757.30000109.9I123 A124 E126 E178I123-S166 CarbonylContact C-O 3.51Å; I123-S166 WeakPolarHBondContact CA-O 3.37Å; A124-S166 PolarHBondContact N-O 3.01Å; A124-S166 PolarHBondContact O-N 3.2Å; E126-S166 WeakPolarHBondContact OE1-CB 3.43Å; E126-S166 PolarHBondContact OE1-OG 2.81Å; S166-E178 WeakPolarHBondContact CA-O 3.38Å
167V91.6Very high87.3Confident6 Ų660.6 Ų60.64%0.03635%0.347CS..EExtended strand (participates in β ladder)trans-121.7113.3178.3-178.50000106.5I121 I123 V165 M177 E178 Y180 I238I121-V167 HydrophobicContact CG2-CG1 3.58Å; I123-V167 HydrophobicContact CG2-CG2 4.26Å; V165-V167 HydrophobicContact CG1-CG2 4.29Å; V167-M177 WeakPolarHBondContact O-CA 3.34Å; V167-E178 PolarHBondContact N-O 2.89Å; V167-E178 PolarHBondContact O-N 2.95Å; V167-Y180 HydrophobicContact CB-CD2 4.25Å; V167-Y180 HydrophobicContact CB-CE2 3.92Å; V167-Y180 HydrophobicContact CG2-CD2 3.58Å; V167-Y180 HydrophobicContact CG2-CE2 3.63Å; V167-I238 HydrophobicContact CG1-CD1 4.47Å; V167-I238 HydrophobicContact CG1-CG1 4.5Å; V167-I238 HydrophobicContact CG2-CD1 4.13Å; V167-I238 HydrophobicContact CG2-CG1 4.25Å; V167-I238 HydrophobicContact CG2-CG2 4.08Å
168T89.6Confident87.2Confident34 Ų3462 Ų6221%0.20935%0.351CS..EExtended strand (participates in β ladder)trans-104.3124.2-179.1-580000108.7Q122 V175 S176Q122-T168 PolarHBondContact N-O 2.93Å; Q122-T168 PolarHBondContact O-N 2.88Å; T168-V175 HydrophobicContact CG2-CG1 3.49Å; T168-V175 VanDerWaalsContact CG2-CG1 3.49Å; T168-S176 WeakPolarHBondContact CA-O 3.47Å
169Q85.8Confident87.2Confident60 Ų6063.6 Ų63.628%0.2836%0.36SS..EExtended strand (participates in β ladder)trans-116.8121.3178.1-168.2-170.321.900108.5I121 S176I121-Q169 HydrophobicContact CG1-CG 4.38Å; Q169-S176 PolarHBondContact N-O 2.94Å; Q169-S176 PolarHBondContact O-N 2.87Å
170Q82.3Confident87.2Confident148 Ų14859.4 Ų59.469%0.69234%0.341SS*.EExtended strand (participates in β ladder)trans-102112.3-178.8-178.7170.1-28.500110.7S120 V175S120-Q170 PolarHBondContact O-N 2.83Å; Q170-V175 HydrophobicContact CG-CG2 4.29Å
171S79.9Confident87.4Confident58 Ų5859.5 Ų59.541%0.40634%0.341SS..  trans-101.2166.2170.885.10000111.1A173 A174S171-A173 PolarHBondContact O-N 2.92Å; S171-A173 VanDerWaalsContact O-N 3.1Å; S171-A173 PolarHBondContact OG-N 3.3Å; S171-A174 PolarHBondContact N-O 2.89Å; S171-A174 PolarHBondContact OG-N 2.96Å; S171-A174 VanDerWaalsContact OG-N 3.16Å; S171-A174 PolarHBondContact OG-O 2.95Å; S171-A174 VanDerWaalsContact OG-O 3.09Å
172P77.9Confident87.5Confident148 Ų14858.8 Ų58.896%0.96134%0.337SS*.SBendtrans-59.9-20.7178.5-26.136000115
173A78.7Confident87.6Confident101 Ų10154.4 Ų54.484%0.83532%0.324SS*.SBendtrans-113.8-20.1-175.500000114.4S171S171-A173 PolarHBondContact O-N 2.92Å; S171-A173 VanDerWaalsContact O-N 3.1Å; S171-A173 PolarHBondContact OG-N 3.3Å
174A82.1Confident87.7Confident54 Ų5454.1 Ų54.145%0.44632%0.323SS..  trans-154.6156.4-17600000112.6S171S171-A174 PolarHBondContact N-O 2.89Å; S171-A174 PolarHBondContact OG-N 2.96Å; S171-A174 VanDerWaalsContact OG-N 3.16Å; S171-A174 PolarHBondContact OG-O 2.95Å; S171-A174 VanDerWaalsContact OG-O 3.09Å
175V84.9Confident87.7Confident95 Ų9556.1 Ų56.158%0.57634%0.335SS*.EExtended strand (participates in β ladder)trans-103.6121.7162.8-179.80000107.2T168 Q170T168-V175 HydrophobicContact CG2-CG1 3.49Å; T168-V175 VanDerWaalsContact CG2-CG1 3.49Å; Q170-V175 HydrophobicContact CG-CG2 4.29Å
176S85.4Confident87.7Confident68 Ų6856.5 Ų56.548%0.47634%0.337SS..EExtended strand (participates in β ladder)trans-93.6147.1167.8-164.80000109.4T168 Q169T168-S176 WeakPolarHBondContact CA-O 3.47Å; Q169-S176 PolarHBondContact N-O 2.94Å; Q169-S176 PolarHBondContact O-N 2.87Å
177M88.6Confident87.7Confident119 Ų11958.5 Ų58.559%0.58635%0.35SS*.EExtended strand (participates in β ladder)trans-143.2110.4175.4-169.2-171.988.600108.7V167V167-M177 WeakPolarHBondContact O-CA 3.34Å
178E89.1Confident87.7Confident51 Ų5162.7 Ų62.724%0.23838%0.377CS..EExtended strand (participates in β ladder)trans-106.9161.7174.3-173.2155.7-145.800109.9S166 V167 Y180 Q232S166-E178 WeakPolarHBondContact CA-O 3.38Å; V167-E178 PolarHBondContact N-O 2.89Å; V167-E178 PolarHBondContact O-N 2.95Å; E178-Y180 HydrophobicContact CB-CE2 3.95Å; E178-Y180 HydrophobicContact CG-CD2 4.36Å; E178-Y180 HydrophobicContact CG-CE2 3.7Å; E178-Y180 PolarHBondContact OE2-OH 2.93Å; E178-Q232 PolarHBondContact OE2-NE2 3.31Å
179T90.9Very high87.9Confident45 Ų4561.6 Ų61.628%0.27637%0.37SS..EExtended strand (participates in β ladder)trans-132.9135.4178.957.10000110.8V165 K222V165-T179 WeakPolarHBondContact O-CA 3.4Å; T179-K222 VanDerWaalsContact O-CB 3.28Å; T179-K222 WeakPolarHBondContact O-CB 3.23Å; T179-K222 PolarHBondContact O-N 3.43Å; T179-K222 VanDerWaalsContact O-N 3.12Å; T179-K222 VanDerWaalsContact OG1-CD 3.23Å; T179-K222 WeakPolarHBondContact OG1-CD 3.4Å
180Y90.6Very high88.3Confident2 Ų261.9 Ų61.91%0.00837%0.372CS..EExtended strand (participates in β ladder)trans-119.4153.1-175.1-64.3-99000109.8P164 V165 V167 E178 V219 L220 P221 Q232 L235 I238P164-Y180 WeakPolarHBondContact CA-O 3.3Å; V165-Y180 PolarHBondContact N-O 2.87Å; V165-Y180 VanDerWaalsContact N-O 3.08Å; V165-Y180 PolarHBondContact O-N 2.88Å; V167-Y180 HydrophobicContact CB-CD2 4.25Å; V167-Y180 HydrophobicContact CB-CE2 3.92Å; V167-Y180 HydrophobicContact CG2-CD2 3.58Å; V167-Y180 HydrophobicContact CG2-CE2 3.63Å; E178-Y180 HydrophobicContact CB-CE2 3.95Å; E178-Y180 HydrophobicContact CG-CD2 4.36Å; E178-Y180 HydrophobicContact CG-CE2 3.7Å; E178-Y180 PolarHBondContact OE2-OH 2.93Å; Y180-V219 HydrophobicContact CD1-CG1 3.57Å; Y180-V219 HydrophobicContact CE1-CG1 4.37Å; Y180-V219 HydrophobicContact CG-CG1 3.94Å; Y180-L220 CarbonylContact C-O 3.58Å; Y180-L220 WeakPolarHBondContact CA-O 3.37Å; Y180-P221 HydrophobicContact CD1-CB 4.3Å; Y180-P221 HydrophobicContact CD1-CG 4.17Å; Y180-P221 HydrophobicContact CE1-CB 4.18Å; Y180-P221 HydrophobicContact CE1-CG 3.88Å; Y180-Q232 PolarHBondContact OH-NE2 2.97Å; Y180-Q232 VanDerWaalsContact OH-NE2 3.12Å; Y180-L235 HydrophobicContact CD1-CD2 4.24Å; Y180-L235 HydrophobicContact CE1-CD2 3.61Å; Y180-I238 HydrophobicContact CE1-CD1 4.11Å; Y180-I238 HydrophobicContact CE2-CD1 3.89Å
181H91.5Very high88.8Confident97 Ų9755 Ų5545%0.44934%0.34SS..EExtended strand (participates in β ladder)trans-96123.3163.4-82.1-65.3000108.7L220 K222H181-L220 PolarHBondContact N-O 3.24Å; H181-L220 PolarHBondContact O-N 3.37Å; H181-K222 WeakPolarHBondContact CD2-CG 3.36Å; H181-K222 WeakPolarHBondContact CE1-CE 3.41Å; H181-K222 WeakPolarHBondContact NE2-CE 3.38Å
182V92Very high89.6Confident1 Ų154.3 Ų54.31%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-103.2132.2173.6-167.20000108R162 F163 V165 L217 T218 V219 I242R162-V182 WeakPolarHBondContact CA-O 3.5Å; F163-V182 HydrophobicContact CD2-CB 4.06Å; F163-V182 HydrophobicContact CD2-CG2 4.24Å; F163-V182 HydrophobicContact CE1-CB 4.39Å; F163-V182 HydrophobicContact CE1-CG1 4.29Å; F163-V182 HydrophobicContact CE2-CB 3.72Å; F163-V182 HydrophobicContact CE2-CG1 3.95Å; F163-V182 HydrophobicContact CE2-CG2 3.9Å; F163-V182 HydrophobicContact CZ-CB 3.91Å; F163-V182 HydrophobicContact CZ-CG1 3.7Å; F163-V182 PolarHBondContact N-O 2.91Å; F163-V182 VanDerWaalsContact N-O 3.08Å; F163-V182 PolarHBondContact O-N 2.9Å; V165-V182 HydrophobicContact CB-CG2 3.94Å; V165-V182 HydrophobicContact CG2-CG2 3.55Å; V182-L217 HydrophobicContact CG1-CB 4.48Å; V182-T218 WeakPolarHBondContact CA-O 3.38Å; V182-V219 HydrophobicContact CG1-CG2 4.26Å; V182-V219 HydrophobicContact CG2-CG2 4.28Å; V182-I242 HydrophobicContact CG1-CD1 4.37Å; V182-I242 HydrophobicContact CG2-CD1 3.81Å
183T91.8Very high90.4Very high32 Ų3247.3 Ų47.320%0.19629%0.285CS..EExtended strand (participates in β ladder)trans-112.1126.1162.4-51.40000108E160 V161 R162 L217 T218E160-T183 HydrophobicContact CB-CG2 4.38Å; V161-T183 WeakPolarHBondContact O-CA 3.39Å; R162-T183 HydrophobicContact CG-CG2 4.05Å; T183-L217 CarbonylContact O-C 3.55Å; T183-L217 WeakPolarHBondContact O-CA 3.47Å; T183-T218 PolarHBondContact N-O 3.04Å; T183-T218 PolarHBondContact O-N 3.5Å
184L91.9Very high91Very high9 Ų945.3 Ų45.35%0.04726%0.26CS..EExtended strand (participates in β ladder)trans-118.9133.6-179173.171.6000109.7E160 V161 F163 L215 L217 I246E160-L184 PolarHBondContact N-O 2.81Å; V161-L184 HydrophobicContact CB-CB 4.33Å; V161-L184 PolarHBondContact N-O 3.13Å; V161-L184 PolarHBondContact O-N 2.82Å; F163-L184 HydrophobicContact CE1-CB 3.88Å; F163-L184 HydrophobicContact CE1-CD2 4.13Å; F163-L184 HydrophobicContact CZ-CB 4.45Å; L184-L215 HydrophobicContact CD1-CB 4.33Å; L184-L215 HydrophobicContact CD1-CD2 4.28Å; L184-L217 HydrophobicContact CD1-CB 4.14Å; L184-L217 HydrophobicContact CD1-CD2 3.91Å; L184-I246 HydrophobicContact CD1-CD1 4.42Å; L184-I246 HydrophobicContact CD2-CD1 3.93Å
185T92.4Very high91.5Very high48 Ų4842.9 Ų42.929%0.29424%0.239SC..EExtended strand (participates in β ladder)trans-121.8120.1166.9-72.20000108.8A158 E160 S216A158-T185 WeakPolarHBondContact O-CA 3.45Å; E160-T185 PolarHBondContact N-OG1 3.5Å; E160-T185 VanDerWaalsContact N-OG1 3.13Å; T185-S216 WeakPolarHBondContact CB-OG 3.48Å; T185-S216 PolarHBondContact N-O 3.35Å; T185-S216 PolarHBondContact O-N 3.2Å; T185-S216 PolarHBondContact O-OG 3.24Å
186L92.1Very high91.8Very high8 Ų842.3 Ų42.34%0.04223%0.23CC..EExtended strand (participates in β ladder)trans-105109.4-178.7177.968.1000108.6L156 S157 A158 T189 F209 P213 L215L156-L186 HydrophobicContact CD2-CD2 3.78Å; L156-L186 HydrophobicContact CG-CD2 3.82Å; S157-L186 WeakPolarHBondContact CA-O 3.45Å; A158-L186 HydrophobicContact CB-CB 4.38Å; A158-L186 PolarHBondContact N-O 2.87Å; A158-L186 PolarHBondContact O-N 2.8Å; L186-T189 HydrophobicContact CD1-CG2 4.41Å; L186-T189 WeakPolarHBondContact CD1-OG1 3.47Å; L186-F209 HydrophobicContact CD1-CE1 4.24Å; L186-F209 HydrophobicContact CD1-CZ 4.31Å; L186-F209 HydrophobicContact CD2-CE1 4.27Å; L186-F209 HydrophobicContact CD2-CZ 4.23Å; L186-P213 HydrophobicContact CD1-CB 3.84Å; L186-L215 HydrophobicContact CD1-CD2 3.52Å
187P91.9Very high91.9Very high45 Ų4541 Ų4129%0.29222%0.217SC..EExtended strand (participates in β ladder)trans-65.3166.2172.828.5-33.6000111.1T189 D214P187-T189 HydrophobicContact CG-CG2 4.19Å; P187-T189 WeakPolarHBondContact O-CG2 3.43Å; P187-T189 PolarHBondContact O-N 2.81Å; P187-T189 PolarHBondContact O-OG1 2.97Å; P187-D214 WeakPolarHBondContact CD-O 3.33Å; P187-D214 HydrophobicContact CG-CB 4.29Å; P187-D214 WeakPolarHBondContact CG-O 2.95Å
188P92.8Very high91.9Very high94 Ų9437.4 Ų37.461%0.6120%0.199SC*.EExtended strand (participates in β ladder)trans-52.3109.1172.5-25.135.2000111.1L156L156-P188 WeakPolarHBondContact O-CA 3.37Å
189T93.3Very high91.5Very high10 Ų1040.4 Ų40.46%0.06122%0.224CC..EExtended strand (participates in β ladder)trans-135.6147.2-172.240.20000109.8Q155 L156 L186 P187 P213Q155-T189 VanDerWaalsContact OE1-N 3.15Å; Q155-T189 PolarHBondContact OE1-O 3.15Å; L156-T189 PolarHBondContact N-O 3.45Å; L156-T189 PolarHBondContact O-N 2.83Å; L156-T189 PolarHBondContact O-OG1 2.95Å; L186-T189 HydrophobicContact CD1-CG2 4.41Å; L186-T189 WeakPolarHBondContact CD1-OG1 3.47Å; P187-T189 HydrophobicContact CG-CG2 4.19Å; P187-T189 WeakPolarHBondContact O-CG2 3.43Å; P187-T189 PolarHBondContact O-N 2.81Å; P187-T189 PolarHBondContact O-OG1 2.97Å; T189-P213 HydrophobicContact CG2-CB 3.63Å
190Q94.4Very high90.9Very high67 Ų6741.5 Ų41.531%0.31324%0.243SC..EExtended strand (participates in β ladder)trans-86126.4-167.4-171171.1-0.600111.5F209 T210 D211Q190-F209 WeakPolarHBondContact O-CA 3.27Å; Q190-T210 VanDerWaalsContact CB-OG1 3.25Å; Q190-T210 WeakPolarHBondContact CB-OG1 3.47Å; Q190-T210 HydrophobicContact CG-CG2 4.49Å; Q190-T210 VanDerWaalsContact CG-OG1 3.28Å; Q190-T210 WeakPolarHBondContact CG-OG1 3.31Å; Q190-T210 PolarHBondContact O-N 2.74Å; Q190-T210 PolarHBondContact O-OG1 2.92Å; Q190-D211 WeakPolarHBondContact CB-OD1 3.35Å
191L93.4Very high90.5Very high2 Ų245.9 Ų45.91%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-116.6129.7-178.7-168.782000109W102 R153 C154 L156 V193 W207 A208 F209W102-L191 HydrophobicContact CH2-CD2 4.45Å; W102-L191 HydrophobicContact CZ2-CD2 4.16Å; R153-L191 WeakPolarHBondContact CA-O 3.39Å; C154-L191 PolarHBondContact N-O 2.88Å; C154-L191 PolarHBondContact O-N 2.84Å; L156-L191 HydrophobicContact CB-CB 4.35Å; L156-L191 HydrophobicContact CD2-CD2 4.34Å; L191-V193 HydrophobicContact CD2-CG2 3.68Å; L191-V193 HydrophobicContact CG-CG2 4.15Å; L191-W207 HydrophobicContact CD1-CB 4.43Å; L191-W207 HydrophobicContact CD2-CB 4.24Å; L191-W207 HydrophobicContact CG-CB 4.36Å; L191-A208 WeakPolarHBondContact CD1-O 3.22Å; L191-F209 HydrophobicContact CD1-CD1 4.03Å; L191-F209 HydrophobicContact CD1-CE1 4.18Å; L191-F209 HydrophobicContact CD1-CG 4.35Å
192E95.1Very high90.3Very high44 Ų4442.3 Ų42.321%0.20625%0.254CS..EExtended strand (participates in β ladder)trans-95.4134.3166.4-171161.910000109.3V151 L152 R153 W207 A208 T210V151-E192 HydrophobicContact CG1-CG 3.59Å; L152-E192 CarbonylContact O-C 3.53Å; L152-E192 WeakPolarHBondContact O-CA 3.48Å; R153-E192 HydrophobicContact CG-CB 4.43Å; R153-E192 HydrophobicContact CG-CG 4.33Å; R153-E192 IonicContact CZ-OE2 2.71Å; R153-E192 IonicContact NE-OE2 2.64Å; R153-E192 PolarHBondContact NE-OE2 3.22Å; R153-E192 IonicContact NH2-OE2 2.66Å; R153-E192 PolarHBondContact NH2-OE2 3.49Å; E192-W207 CarbonylContact O-C 3.56Å; E192-W207 WeakPolarHBondContact O-CA 3.35Å; E192-W207 WeakPolarHBondContact O-CB 3.41Å; E192-A208 PolarHBondContact N-O 2.87Å; E192-A208 PolarHBondContact O-N 3.36Å; E192-T210 HydrophobicContact CB-CG2 3.74Å
193V94.5Very high90.1Very high1 Ų142.6 Ų42.61%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-128.2112.4-179-174.60000108.3W102 L152 L191 L195 I205 S206 W207W102-V193 HydrophobicContact CH2-CG1 4.26Å; W102-V193 HydrophobicContact CH2-CG2 4.19Å; W102-V193 HydrophobicContact CZ3-CG1 4.44Å; L152-V193 HydrophobicContact CB-CB 4.33Å; L152-V193 PolarHBondContact N-O 3.41Å; L152-V193 PolarHBondContact O-N 2.6Å; L191-V193 HydrophobicContact CD2-CG2 3.68Å; L191-V193 HydrophobicContact CG-CG2 4.15Å; V193-L195 HydrophobicContact CG1-CD2 4.32Å; V193-I205 HydrophobicContact CG1-CG2 3.93Å; V193-S206 CarbonylContact C-O 3.57Å; V193-S206 WeakPolarHBondContact CA-O 3.43Å; V193-W207 HydrophobicContact CB-CB 4.47Å; V193-W207 HydrophobicContact CG1-CB 4.49Å; V193-W207 HydrophobicContact CG2-CB 4.02Å
194N92.9Very high90.2Very high59 Ų5943.1 Ų43.132%0.31626%0.256SS..EExtended strand (participates in β ladder)trans-95.8126.2-178.4-66.3-20.3000109.4V151 I205 S206V151-N194 WeakPolarHBondContact CG1-OD1 3.31Å; N194-I205 WeakPolarHBondContact O-CA 3.37Å; N194-S206 PolarHBondContact N-O 3.08Å; N194-S206 PolarHBondContact O-N 3Å
195L91.8Very high90.3Very high3 Ų342.8 Ų42.82%0.01625%0.254CS..EExtended strand (participates in β ladder)trans-109.5131.5175.3-54.4178.9000107.9W66 L88 T149 M150 L152 V193 L203 L204 I205W66-L195 HydrophobicContact CH2-CB 3.96Å; W66-L195 WeakPolarHBondContact CH2-O 3.39Å; W66-L195 HydrophobicContact CZ2-CB 4.04Å; L88-L195 HydrophobicContact CD2-CD1 4.2Å; T149-L195 CarbonylContact C-O 3.57Å; T149-L195 VanDerWaalsContact CA-O 3.23Å; T149-L195 WeakPolarHBondContact CA-O 3.33Å; M150-L195 HydrophobicContact CB-CB 4.27Å; M150-L195 HydrophobicContact CB-CD1 4.5Å; M150-L195 PolarHBondContact N-O 3.18Å; M150-L195 WeakPolarHBondContact O-CB 3.34Å; M150-L195 PolarHBondContact O-N 3.08Å; M150-L195 HydrophobicContact SD-CD1 4.36Å; L152-L195 HydrophobicContact CD1-CD1 3.94Å; L152-L195 HydrophobicContact CG-CD1 4.27Å; V193-L195 HydrophobicContact CG1-CD2 4.32Å; L195-L203 HydrophobicContact CB-CD1 4.24Å; L195-L203 HydrophobicContact CD2-CD2 4.45Å; L195-L204 WeakPolarHBondContact CA-O 3.49Å; L195-I205 HydrophobicContact CD2-CB 4.26Å; L195-I205 HydrophobicContact CD2-CD1 4.14Å; L195-I205 HydrophobicContact CD2-CG1 3.78Å; L195-I205 HydrophobicContact CD2-CG2 3.91Å
196E91.6Very high90.5Very high83 Ų8342 Ų4239%0.38825%0.251SS..EExtended strand (participates in β ladder)trans-142.5132.1-176.3174.4173.1-159.100111.3H148 T149 I198 L203 L204H148-E196 CarbonylContact O-C 3.58Å; H148-E196 WeakPolarHBondContact O-CA 3.38Å; T149-E196 HydrophobicContact CG2-CB 4.2Å; T149-E196 HydrophobicContact CG2-CG 4.05Å; E196-I198 HydrophobicContact CG-CD1 3.8Å; E196-I198 PolarHBondContact O-N 3.33Å; E196-L203 CarbonylContact O-C 3.54Å; E196-L203 WeakPolarHBondContact O-CA 3.24Å; E196-L204 HydrophobicContact CB-CB 4.27Å; E196-L204 PolarHBondContact N-O 3.08Å; E196-L204 PolarHBondContact O-N 2.99Å
197E88.4Confident90.6Very high40 Ų4042.1 Ų42.119%0.18725%0.251CS..EExtended strand (participates in β ladder)trans-80.7109.6174.1-155168.4-143.900110.4W66 H148 P199W66-E197 HydrophobicContact CD2-CB 4.42Å; W66-E197 HydrophobicContact CG-CB 4.23Å; W66-E197 HydrophobicContact CG-CG 4.35Å; H148-E197 HydrophobicContact CB-CB 4.02Å; H148-E197 IonicContact CE1-OE2 2.68Å; H148-E197 IonicContact ND1-OE2 2.6Å; H148-E197 PolarHBondContact ND1-OE2 2.83Å; H148-E197 PolarHBondContact O-N 2.87Å; E197-P199 WeakPolarHBondContact O-CD 3.23Å
198I87.1Confident90.8Very high44 Ų4441.1 Ų41.123%0.22625%0.246CC..EExtended strand (participates in β ladder)trans-96108170.9-56.1-58000107.8E196 G200 E201 G202 L204 M254E196-I198 HydrophobicContact CG-CD1 3.8Å; E196-I198 PolarHBondContact O-N 3.33Å; I198-G200 PolarHBondContact O-N 2.96Å; I198-E201 HydrophobicContact CB-CB 4.26Å; I198-E201 HydrophobicContact CG2-CB 3.83Å; I198-E201 HydrophobicContact CG2-CG 3.99Å; I198-E201 PolarHBondContact O-N 3.38Å; I198-E201 VanDerWaalsContact O-N 3.08Å; I198-G202 PolarHBondContact N-O 2.78Å; I198-G202 PolarHBondContact O-N 3.1Å; I198-L204 HydrophobicContact CD1-CD2 4.47Å; I198-L204 HydrophobicContact CG1-CB 3.84Å; I198-L204 HydrophobicContact CG1-CD2 4.43Å; I198-M254 HydrophobicContact CB-CE 3.91Å; I198-M254 HydrophobicContact CG1-CE 3.85Å; I198-M254 HydrophobicContact CG2-CE 4.33Å
199P81.3Confident90.8Very high115 Ų11538 Ų3875%0.74722%0.223SC*.THydrogen-bonded Turntrans-61.7129.8-173.924.6-33.7000110.9E197 E201E197-P199 WeakPolarHBondContact O-CD 3.23Å; P199-E201 VanDerWaalsContact C-N 3.28Å; P199-E201 PolarHBondContact O-N 2.84Å
200G78.4Confident90.7Very high67 Ų6740.4 Ų40.469%0.69124%0.238SC*.THydrogen-bonded Turntrans86.7-28.9-175.300000115.1I198I198-G200 PolarHBondContact O-N 2.96Å
201E82Confident90.5Very high95 Ų9540.8 Ų40.844%0.44424%0.242SC..THydrogen-bonded Turntrans-101.8-35.4-175.4-56.2-159.1162.800114.4I198 P199 M254 N256I198-E201 HydrophobicContact CB-CB 4.26Å; I198-E201 HydrophobicContact CG2-CB 3.83Å; I198-E201 HydrophobicContact CG2-CG 3.99Å; I198-E201 PolarHBondContact O-N 3.38Å; I198-E201 VanDerWaalsContact O-N 3.08Å; P199-E201 VanDerWaalsContact C-N 3.28Å; P199-E201 PolarHBondContact O-N 2.84Å; E201-M254 HydrophobicContact CB-CE 3.85Å; E201-M254 HydrophobicContact CB-SD 4.21Å; E201-N256 PolarHBondContact O-ND2 3.46Å
202G86.6Confident90.4Very high22 Ų2248.8 Ų48.823%0.22727%0.272CS..EExtended strand (participates in β ladder)trans132.6-146.2175.200000114.3I198 M254I198-G202 PolarHBondContact N-O 2.78Å; I198-G202 PolarHBondContact O-N 3.1Å; G202-M254 VanDerWaalsContact C-SD 3.57Å
203L89.5Confident90.2Very high7 Ų747 Ų474%0.03726%0.264CS..EExtended strand (participates in β ladder)trans-97.2111.1175.8-176.873.2000109.6W66 L195 E196 I205 M254 V255 L257W66-L203 HydrophobicContact CZ2-CD1 3.45Å; W66-L203 VanDerWaalsContact CZ2-CD1 3.45Å; L195-L203 HydrophobicContact CB-CD1 4.24Å; L195-L203 HydrophobicContact CD2-CD2 4.45Å; E196-L203 CarbonylContact O-C 3.54Å; E196-L203 WeakPolarHBondContact O-CA 3.24Å; L203-I205 HydrophobicContact CD2-CD1 4.01Å; L203-I205 HydrophobicContact CD2-CG1 4.01Å; L203-I205 HydrophobicContact CG-CG1 4.05Å; L203-M254 VanDerWaalsContact C-SD 3.53Å; L203-V255 WeakPolarHBondContact CB-O 3.5Å; L203-V255 PolarHBondContact N-O 3.11Å; L203-V255 PolarHBondContact O-N 3.36Å; L203-L257 HydrophobicContact CB-CD1 4.49Å; L203-L257 HydrophobicContact CB-CG 4.48Å; L203-L257 HydrophobicContact CD2-CD1 3.61Å; L203-L257 HydrophobicContact CD2-CG 4.25Å
204L93.2Very high90.1Very high43 Ų4353.2 Ų53.223%0.22530%0.298CS..EExtended strand (participates in β ladder)trans-72.9134165.7-179.760.9000108.8L195 E196 I198 A252 M254L195-L204 WeakPolarHBondContact CA-O 3.49Å; E196-L204 HydrophobicContact CB-CB 4.27Å; E196-L204 PolarHBondContact N-O 3.08Å; E196-L204 PolarHBondContact O-N 2.99Å; I198-L204 HydrophobicContact CD1-CD2 4.47Å; I198-L204 HydrophobicContact CG1-CB 3.84Å; I198-L204 HydrophobicContact CG1-CD2 4.43Å; L204-A252 HydrophobicContact CD1-CB 4.23Å; L204-M254 HydrophobicContact CB-CE 4.12Å
205I94.3Very high90.1Very high1 Ų151 Ų511%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-126.4116.1174.6-53.3-175000107.1L92 F98 W102 V193 N194 L195 L203 W207 A252 M253 V255L92-I205 HydrophobicContact CD1-CD1 4.47Å; F98-I205 HydrophobicContact CE2-CD1 3.75Å; F98-I205 HydrophobicContact CZ-CD1 4.05Å; W102-I205 HydrophobicContact CZ3-CG2 4Å; V193-I205 HydrophobicContact CG1-CG2 3.93Å; N194-I205 WeakPolarHBondContact O-CA 3.37Å; L195-I205 HydrophobicContact CD2-CB 4.26Å; L195-I205 HydrophobicContact CD2-CD1 4.14Å; L195-I205 HydrophobicContact CD2-CG1 3.78Å; L195-I205 HydrophobicContact CD2-CG2 3.91Å; L203-I205 HydrophobicContact CD2-CD1 4.01Å; L203-I205 HydrophobicContact CD2-CG1 4.01Å; L203-I205 HydrophobicContact CG-CG1 4.05Å; I205-W207 HydrophobicContact CG2-CE3 4.11Å; I205-W207 HydrophobicContact CG2-CZ3 4.16Å; I205-A252 CarbonylContact O-C 3.56Å; I205-A252 VanDerWaalsContact O-CA 3.31Å; I205-A252 WeakPolarHBondContact O-CA 3.38Å; I205-M253 HydrophobicContact CB-CG 4.2Å; I205-M253 PolarHBondContact N-O 3.39Å; I205-M253 PolarHBondContact O-N 3.07Å; I205-V255 HydrophobicContact CD1-CB 4.22Å; I205-V255 HydrophobicContact CD1-CG2 3.66Å; I205-V255 HydrophobicContact CG1-CG2 4.19Å
206S95.2Very high90.1Very high31 Ų3153.9 Ų53.922%0.21731%0.306CS..EExtended strand (participates in β ladder)trans-121.7156.5171.558.80000110.8V193 N194 P251V193-S206 CarbonylContact C-O 3.57Å; V193-S206 WeakPolarHBondContact CA-O 3.43Å; N194-S206 PolarHBondContact N-O 3.08Å; N194-S206 PolarHBondContact O-N 3Å; S206-P251 WeakPolarHBondContact CA-O 2.73Å
207W95.4Very high90.1Very high11 Ų1150.8 Ų50.84%0.04229%0.292CS..EExtended strand (participates in β ladder)trans-148.1154.2179.157.996.3000112.7W102 A105 W106 L191 E192 V193 I205 Q250 P251 M253W102-W207 HydrophobicContact CB-CH2 4.5Å; W102-W207 HydrophobicContact CD2-CD2 4.36Å; W102-W207 AromaticContact CD2-CE2 3.96Å; W102-W207 HydrophobicContact CD2-CE3 4.37Å; W102-W207 AromaticContact CD2-CH2 3.59Å; W102-W207 HydrophobicContact CD2-CH2 3.59Å; W102-W207 AromaticContact CD2-CZ2 3.56Å; W102-W207 HydrophobicContact CD2-CZ2 3.56Å; W102-W207 HydrophobicContact CD2-CZ3 4.02Å; W102-W207 AromaticContact CE2-CD2 3.95Å; W102-W207 AromaticContact CE2-CE2 3.48Å; W102-W207 VanDerWaalsContact CE2-CE2 3.48Å; W102-W207 AromaticContact CE2-CZ2 3.53Å; W102-W207 AromaticContact CE2-NE1 3.85Å; W102-W207 HydrophobicContact CE3-CD2 4.27Å; W102-W207 AromaticContact CE3-CE3 3.9Å; W102-W207 HydrophobicContact CE3-CE3 3.9Å; W102-W207 AromaticContact CE3-CH2 3.59Å; W102-W207 HydrophobicContact CE3-CH2 3.59Å; W102-W207 AromaticContact CE3-CZ2 3.99Å; W102-W207 HydrophobicContact CE3-CZ2 3.99Å; W102-W207 AromaticContact CE3-CZ3 3.55Å; W102-W207 HydrophobicContact CE3-CZ3 3.55Å; W102-W207 HydrophobicContact CG-CH2 4.01Å; W102-W207 AromaticContact CG-CZ2 3.9Å; W102-W207 HydrophobicContact CG-CZ2 3.9Å; W102-W207 HydrophobicContact CH2-CB 4.04Å; W102-W207 AromaticContact CH2-CD2 3.35Å; W102-W207 HydrophobicContact CH2-CD2 3.35Å; W102-W207 AromaticContact CH2-CE2 3.83Å; W102-W207 AromaticContact CH2-CE3 3.49Å; W102-W207 HydrophobicContact CH2-CE3 3.49Å; W102-W207 VanDerWaalsContact CH2-CE3 3.49Å; W102-W207 AromaticContact CH2-CG 3.64Å; W102-W207 HydrophobicContact CH2-CG 3.64Å; W102-W207 HydrophobicContact CH2-CH2 4.45Å; W102-W207 HydrophobicContact CH2-CZ2 4.35Å; W102-W207 HydrophobicContact CH2-CZ3 4.06Å; W102-W207 HydrophobicContact CZ2-CB 4.4Å; W102-W207 AromaticContact CZ2-CD1 3.76Å; W102-W207 AromaticContact CZ2-CD2 3.45Å; W102-W207 HydrophobicContact CZ2-CD2 3.45Å; W102-W207 VanDerWaalsContact CZ2-CD2 3.45Å; W102-W207 AromaticContact CZ2-CE2 3.43Å; W102-W207 VanDerWaalsContact CZ2-CE2 3.43Å; W102-W207 HydrophobicContact CZ2-CE3 4.01Å; W102-W207 AromaticContact CZ2-CG 3.65Å; W102-W207 HydrophobicContact CZ2-CG 3.65Å; W102-W207 HydrophobicContact CZ2-CH2 4.44Å; W102-W207 AromaticContact CZ2-CZ2 3.96Å; W102-W207 HydrophobicContact CZ2-CZ2 3.96Å; W102-W207 HydrophobicContact CZ2-CZ3 4.47Å; W102-W207 AromaticContact CZ2-NE1 3.62Å; W102-W207 AromaticContact CZ3-CD2 3.8Å; W102-W207 HydrophobicContact CZ3-CD2 3.8Å; W102-W207 AromaticContact CZ3-CE3 3.43Å; W102-W207 HydrophobicContact CZ3-CE3 3.43Å; W102-W207 VanDerWaalsContact CZ3-CE3 3.43Å; W102-W207 HydrophobicContact CZ3-CG 4.49Å; W102-W207 HydrophobicContact CZ3-CH2 4.05Å; W102-W207 HydrophobicContact CZ3-CZ2 4.37Å; W102-W207 AromaticContact CZ3-CZ3 3.58Å; W102-W207 HydrophobicContact CZ3-CZ3 3.58Å; W102-W207 AromaticContact NE1-CE2 3.93Å; W102-W207 AromaticContact NE1-CZ2 3.8Å; A105-W207 HydrophobicContact CB-CH2 3.87Å; A105-W207 HydrophobicContact CB-CZ2 4.38Å; W106-W207 HydrophobicContact CB-CZ2 4.36Å; L191-W207 HydrophobicContact CD1-CB 4.43Å; L191-W207 HydrophobicContact CD2-CB 4.24Å; L191-W207 HydrophobicContact CG-CB 4.36Å; E192-W207 CarbonylContact O-C 3.56Å; E192-W207 WeakPolarHBondContact O-CA 3.35Å; E192-W207 WeakPolarHBondContact O-CB 3.41Å; V193-W207 HydrophobicContact CB-CB 4.47Å; V193-W207 HydrophobicContact CG1-CB 4.49Å; V193-W207 HydrophobicContact CG2-CB 4.02Å; I205-W207 HydrophobicContact CG2-CE3 4.11Å; I205-W207 HydrophobicContact CG2-CZ3 4.16Å; W207-Q250 CarbonylContact O-C 3.58Å; W207-Q250 WeakPolarHBondContact O-CA 3.45Å; W207-P251 HydrophobicContact CD2-CB 4.29Å; W207-P251 HydrophobicContact CH2-CB 4.28Å; W207-P251 HydrophobicContact CZ2-CB 3.7Å; W207-P251 HydrophobicContact CZ2-CG 4.29Å; W207-P251 PolarHBondContact N-O 2.97Å; W207-P251 WeakPolarHBondContact O-CD 3.43Å; W207-M253 HydrophobicContact CH2-CG 4.17Å; W207-M253 HydrophobicContact CH2-SD 3.79Å; W207-M253 HydrophobicContact CZ3-CG 3.9Å; W207-M253 HydrophobicContact CZ3-SD 3.95Å
208A94.9Very high90.3Very high24 Ų2452.5 Ų52.520%0.19831%0.305CS..EExtended strand (participates in β ladder)trans-151.3153.917700000110.1L191 E192 Q250L191-A208 WeakPolarHBondContact CD1-O 3.22Å; E192-A208 PolarHBondContact N-O 2.87Å; E192-A208 PolarHBondContact O-N 3.36Å; A208-Q250 HydrophobicContact CB-CG 3.92Å
209F94.2Very high90.5Very high28 Ų2850.6 Ų50.612%0.12330%0.296CS..EExtended strand (participates in β ladder)trans-71.8137.6165.2-64.2-77.5000109.4W106 L156 L186 Q190 L191 D211 P213 I246W106-F209 HydrophobicContact CZ2-CE2 4.26Å; W106-F209 HydrophobicContact CZ2-CZ 4.26Å; L156-F209 HydrophobicContact CD2-CE1 4.31Å; L156-F209 HydrophobicContact CD2-CZ 4.47Å; L186-F209 HydrophobicContact CD1-CE1 4.24Å; L186-F209 HydrophobicContact CD1-CZ 4.31Å; L186-F209 HydrophobicContact CD2-CE1 4.27Å; L186-F209 HydrophobicContact CD2-CZ 4.23Å; Q190-F209 WeakPolarHBondContact O-CA 3.27Å; L191-F209 HydrophobicContact CD1-CD1 4.03Å; L191-F209 HydrophobicContact CD1-CE1 4.18Å; L191-F209 HydrophobicContact CD1-CG 4.35Å; F209-D211 WeakPolarHBondContact CB-O 3.5Å; F209-P213 HydrophobicContact CD1-CB 4.34Å; F209-P213 HydrophobicContact CD1-CG 4.11Å; F209-P213 HydrophobicContact CD2-CG 4.05Å; F209-P213 HydrophobicContact CE1-CB 4.37Å; F209-P213 HydrophobicContact CE1-CG 4.26Å; F209-P213 HydrophobicContact CE2-CG 4.2Å; F209-P213 HydrophobicContact CG-CG 4Å; F209-P213 HydrophobicContact CZ-CG 4.31Å; F209-I246 HydrophobicContact CE2-CG2 4.11Å
210T91.2Very high91Very high62 Ų6250 Ų5038%0.3829%0.286SS..SBendtrans-78.4-26.4178.142.90000113.3Q190 E192Q190-T210 VanDerWaalsContact CB-OG1 3.25Å; Q190-T210 WeakPolarHBondContact CB-OG1 3.47Å; Q190-T210 HydrophobicContact CG-CG2 4.49Å; Q190-T210 VanDerWaalsContact CG-OG1 3.28Å; Q190-T210 WeakPolarHBondContact CG-OG1 3.31Å; Q190-T210 PolarHBondContact O-N 2.74Å; Q190-T210 PolarHBondContact O-OG1 2.92Å; E192-T210 HydrophobicContact CB-CG2 3.74Å
211D90Very high91.4Very high75 Ų7549.5 Ų49.540%0.40127%0.27SS..SBendtrans-134.7164.3-174.953.9-63.3000108.1Q190 F209 P213Q190-D211 WeakPolarHBondContact CB-OD1 3.35Å; F209-D211 WeakPolarHBondContact CB-O 3.5Å; D211-P213 WeakPolarHBondContact O-CD 3.5Å
212R90.8Very high91.3Very high170 Ų17048.8 Ų48.864%0.64227%0.266SS*.  trans-76.6109.3178.7178.8168.7178.6161.50.2109.2V247R212-V247 HydrophobicContact CB-CG1 4.41Å; R212-V247 HydrophobicContact CG-CG1 4Å; R212-V247 HydrophobicContact CG-CG2 4.06Å
213P91.6Very high90.3Very high5 Ų554 Ų543%0.03229%0.288CS..  trans-62143.2178.127.1-37.8000111.8L186 T189 F209 D211 L215 V247L186-P213 HydrophobicContact CD1-CB 3.84Å; T189-P213 HydrophobicContact CG2-CB 3.63Å; F209-P213 HydrophobicContact CD1-CB 4.34Å; F209-P213 HydrophobicContact CD1-CG 4.11Å; F209-P213 HydrophobicContact CD2-CG 4.05Å; F209-P213 HydrophobicContact CE1-CB 4.37Å; F209-P213 HydrophobicContact CE1-CG 4.26Å; F209-P213 HydrophobicContact CE2-CG 4.2Å; F209-P213 HydrophobicContact CG-CG 4Å; F209-P213 HydrophobicContact CZ-CG 4.31Å; D211-P213 WeakPolarHBondContact O-CD 3.5Å; P213-L215 VanDerWaalsContact C-N 3.34Å; P213-L215 HydrophobicContact CB-CD2 3.81Å; P213-L215 HydrophobicContact CB-CG 4.22Å; P213-L215 HydrophobicContact CG-CD1 4.34Å; P213-L215 HydrophobicContact CG-CD2 3.73Å; P213-L215 HydrophobicContact CG-CG 3.92Å; P213-L215 PolarHBondContact O-N 3.06Å; P213-V247 HydrophobicContact CG-CG2 4.09Å
214D92.3Very high88.6Confident132 Ų13263 Ų6371%0.70633%0.329SS*.  trans-78.284.5172.8-171.218.1000110P187 S216P187-D214 WeakPolarHBondContact CD-O 3.33Å; P187-D214 HydrophobicContact CG-CB 4.29Å; P187-D214 WeakPolarHBondContact CG-O 2.95Å; D214-S216 PolarHBondContact O-N 2.76Å
215L92.4Very high86.5Confident14 Ų1464.7 Ų64.77%0.07335%0.349CS..  trans-80.5103.5-173.7-59.6179000111.2L184 L186 P213 L217 K243 I246 V247L184-L215 HydrophobicContact CD1-CB 4.33Å; L184-L215 HydrophobicContact CD1-CD2 4.28Å; L186-L215 HydrophobicContact CD1-CD2 3.52Å; P213-L215 VanDerWaalsContact C-N 3.34Å; P213-L215 HydrophobicContact CB-CD2 3.81Å; P213-L215 HydrophobicContact CB-CG 4.22Å; P213-L215 HydrophobicContact CG-CD1 4.34Å; P213-L215 HydrophobicContact CG-CD2 3.73Å; P213-L215 HydrophobicContact CG-CG 3.92Å; P213-L215 PolarHBondContact O-N 3.06Å; L215-L217 HydrophobicContact CB-CD2 3.65Å; L215-L217 VanDerWaalsContact O-CD2 3.24Å; L215-L217 WeakPolarHBondContact O-CD2 3.48Å; L215-K243 HydrophobicContact CB-CG 4.31Å; L215-K243 HydrophobicContact CD1-CB 4.36Å; L215-K243 HydrophobicContact CD1-CG 4.34Å; L215-I246 HydrophobicContact CD1-CB 3.75Å; L215-I246 HydrophobicContact CD1-CD1 4.45Å; L215-I246 HydrophobicContact CD1-CG2 3.58Å; L215-I246 HydrophobicContact CD2-CG2 4.06Å; L215-V247 HydrophobicContact CD1-CG2 3.83Å
216S92.1Very high84.2Confident62 Ų6275.5 Ų75.543%0.43439%0.39SS..EExtended strand (participates in β ladder)trans-84.5119.7166.567.80000110.4T185 D214T185-S216 WeakPolarHBondContact CB-OG 3.48Å; T185-S216 PolarHBondContact N-O 3.35Å; T185-S216 PolarHBondContact O-N 3.2Å; T185-S216 PolarHBondContact O-OG 3.24Å; D214-S216 PolarHBondContact O-N 2.76Å
217L91.9Very high81.9Confident19 Ų1983.2 Ų83.210%0.09942%0.423CS..EExtended strand (participates in β ladder)trans-140.7157.917843.4142.2000111.4V182 T183 L184 L215 E239 I242 K243V182-L217 HydrophobicContact CG1-CB 4.48Å; T183-L217 CarbonylContact O-C 3.55Å; T183-L217 WeakPolarHBondContact O-CA 3.47Å; L184-L217 HydrophobicContact CD1-CB 4.14Å; L184-L217 HydrophobicContact CD1-CD2 3.91Å; L215-L217 HydrophobicContact CB-CD2 3.65Å; L215-L217 VanDerWaalsContact O-CD2 3.24Å; L215-L217 WeakPolarHBondContact O-CD2 3.48Å; L217-E239 HydrophobicContact CD1-CB 3.89Å; L217-E239 HydrophobicContact CD1-CG 3.96Å; L217-I242 HydrophobicContact CD1-CB 4.33Å; L217-I242 HydrophobicContact CD1-CG2 4.13Å; L217-K243 HydrophobicContact CD1-CG 4.19Å; L217-K243 HydrophobicContact CD2-CD 4.22Å; L217-K243 HydrophobicContact CD2-CG 3.56Å; L217-K243 HydrophobicContact CG-CG 4.38Å
218T91.9Very high79.5Confident75 Ų7591.4 Ų91.446%0.4645%0.454SS..EExtended strand (participates in β ladder)trans-134131.417157.50000110.1V182 T183V182-T218 WeakPolarHBondContact CA-O 3.38Å; T183-T218 PolarHBondContact N-O 3.04Å; T183-T218 PolarHBondContact O-N 3.5Å
219V92.4Very high77.2Confident5 Ų594.4 Ų94.43%0.0349%0.487CS..EExtended strand (participates in β ladder)trans-109.5120.7-179.9172.70000110.9Y180 V182 L235 I238 E239 I242Y180-V219 HydrophobicContact CD1-CG1 3.57Å; Y180-V219 HydrophobicContact CE1-CG1 4.37Å; Y180-V219 HydrophobicContact CG-CG1 3.94Å; V182-V219 HydrophobicContact CG1-CG2 4.26Å; V182-V219 HydrophobicContact CG2-CG2 4.28Å; V219-L235 HydrophobicContact CG1-CD2 4.33Å; V219-I238 HydrophobicContact CG1-CG2 4.04Å; V219-I238 HydrophobicContact CG2-CG2 4.46Å; V219-E239 HydrophobicContact CB-CG 3.89Å; V219-E239 HydrophobicContact CG2-CG 3.46Å; V219-E239 VanDerWaalsContact CG2-CG 3.46Å; V219-E239 PolarHBondContact N-OE1 2.76Å; V219-I242 HydrophobicContact CG2-CD1 3.91Å
220L90.2Very high75Confident103 Ų10399.3 Ų99.354%0.53951%0.511SS..EExtended strand (participates in β ladder)trans-121.1126.3-176.8-63.3176.1000111.4Y180 H181Y180-L220 CarbonylContact C-O 3.58Å; Y180-L220 WeakPolarHBondContact CA-O 3.37Å; H181-L220 PolarHBondContact N-O 3.24Å; H181-L220 PolarHBondContact O-N 3.37Å
221P87.3Confident73.2Confident55 Ų55104.8 Ų104.836%0.35753%0.532SS..EExtended strand (participates in β ladder)trans-59.6139173.7-21.731.2000112.5Y180 L223Y180-P221 HydrophobicContact CD1-CB 4.3Å; Y180-P221 HydrophobicContact CD1-CG 4.17Å; Y180-P221 HydrophobicContact CE1-CB 4.18Å; Y180-P221 HydrophobicContact CE1-CG 3.88Å; P221-L223 VanDerWaalsContact C-N 3.25Å; P221-L223 WeakPolarHBondContact CB-O 3.25Å; P221-L223 PolarHBondContact O-N 3.31Å
222K79.1Confident71.6Confident81 Ų81106.3 Ų106.335%0.35254%0.537SS..SBendtrans-72.7-15.6175.2-84.8169.3165.9-1800114.3P164 T179 H181P164-K222 VanDerWaalsContact CB-NZ 3.35Å; T179-K222 VanDerWaalsContact O-CB 3.28Å; T179-K222 WeakPolarHBondContact O-CB 3.23Å; T179-K222 PolarHBondContact O-N 3.43Å; T179-K222 VanDerWaalsContact O-N 3.12Å; T179-K222 VanDerWaalsContact OG1-CD 3.23Å; T179-K222 WeakPolarHBondContact OG1-CD 3.4Å; H181-K222 WeakPolarHBondContact CD2-CG 3.36Å; H181-K222 WeakPolarHBondContact CE1-CE 3.41Å; H181-K222 WeakPolarHBondContact NE2-CE 3.38Å
223L66.2Low70.4Confident131 Ų13199.1 Ų99.169%0.68651%0.511SS*.SBendtrans-121.5136.2175.6-72.9165.3000108.2P221 A225P221-L223 VanDerWaalsContact C-N 3.25Å; P221-L223 WeakPolarHBondContact CB-O 3.25Å; P221-L223 PolarHBondContact O-N 3.31Å; L223-A225 PolarHBondContact O-N 3.14Å
224Q53.5Low69.9Low196 Ų196105.1 Ų105.192%0.91654%0.539SS*.  trans-59.6122.8163.5-74.4179.2-30.600107.7R226Q224-R226 PolarHBondContact O-N 3.49Å
225A50.3Low69.5Low78 Ų78102.1 Ų102.165%0.64552%0.523SS*.  trans-58.6108.8-178.100000109.5L223 E227L223-A225 PolarHBondContact O-N 3.14Å; A225-E227 PolarHBondContact O-N 3.34Å
226R45.5Very low69.2Low228 Ų228103.7 Ų103.786%0.8654%0.535SS*.  trans-65.2124.1167.3173.6-177175.4174.61.5106.9Q224 R228Q224-R226 PolarHBondContact O-N 3.49Å; R226-R228 PolarHBondContact O-N 3.06Å
227E46Very low69.1Low194 Ų194103.3 Ų103.391%0.90753%0.53SS*.SBendtrans-39.7106.8178.5-64.1174.5131.500112.3A225A225-E227 PolarHBondContact O-N 3.34Å
228R45.3Very low69Low182 Ų182102.4 Ų102.469%0.68753%0.525SS*.  trans-150.7101.8172.3173-177.5-71.4-90.5-1.2106.1R226 E230R226-R228 PolarHBondContact O-N 3.06Å; R228-E230 WeakPolarHBondContact CD-OE2 3.4Å; R228-E230 HydrophobicContact CG-CB 4.11Å; R228-E230 IonicContact CZ-OE2 2.65Å; R228-E230 IonicContact NH1-OE2 3.81Å; R228-E230 PolarHBondContact NH1-OE2 3.12Å; R228-E230 PolarHBondContact O-N 2.82Å; R228-E230 VanDerWaalsContact O-N 3.1Å
229G46.8Very low68.9Low88 Ų88101 Ų10191%0.90751%0.513SS*.  trans-77.388.2170.900000110.1
230E47.7Very low68.9Low131 Ų131105.1 Ų105.161%0.61253%0.532SS*.SBendtrans-157.6110.5172.3-95.4155.8-173.200106.7R228 Q232R228-E230 WeakPolarHBondContact CD-OE2 3.4Å; R228-E230 HydrophobicContact CG-CB 4.11Å; R228-E230 IonicContact CZ-OE2 2.65Å; R228-E230 IonicContact NH1-OE2 3.81Å; R228-E230 PolarHBondContact NH1-OE2 3.12Å; R228-E230 PolarHBondContact O-N 2.82Å; R228-E230 VanDerWaalsContact O-N 3.1Å; E230-Q232 PolarHBondContact O-N 2.78Å
231E54Low68.9Low176 Ų176102 Ų10282%0.82252%0.516SS*.  trans21.966.6172.4-63.6-172.4126.900117.6V233E231-V233 PolarHBondContact O-N 3.31Å
232Q57.2Low69.2Low108 Ų10899.3 Ų99.351%0.50550%0.499SS..PPolyproline II helixtrans-66.2122.7163.1-172.471.355.700108.4E178 Y180 E230 E234E178-Q232 PolarHBondContact OE2-NE2 3.31Å; Y180-Q232 PolarHBondContact OH-NE2 2.97Å; Y180-Q232 VanDerWaalsContact OH-NE2 3.12Å; E230-Q232 PolarHBondContact O-N 2.78Å; Q232-E234 PolarHBondContact O-N 2.79Å
233V63.7Low69.8Low18 Ų1897.4 Ų97.411%0.10949%0.49CS..PPolyproline II helixtrans-55.9124.8174.3175.90000109.2I121 E231 L235 T237 I238I121-V233 HydrophobicContact CD1-CG1 3.72Å; I121-V233 HydrophobicContact CD1-CG2 4.01Å; I121-V233 HydrophobicContact CG1-CG2 4.23Å; E231-V233 PolarHBondContact O-N 3.31Å; V233-L235 PolarHBondContact O-N 2.71Å; V233-T237 WeakPolarHBondContact CG1-OG1 3.48Å; V233-I238 HydrophobicContact CB-CD1 4.27Å; V233-I238 HydrophobicContact CG1-CD1 3.82Å; V233-I238 HydrophobicContact CG1-CG1 3.76Å
234E81.8Confident71Confident131 Ų13193.7 Ų93.761%0.61247%0.471SS*.PPolyproline II helixtrans-64126.7-175.9-161.3-168.7137.600110.1Q232 S236 T237Q232-E234 PolarHBondContact O-N 2.79Å; E234-S236 VanDerWaalsContact CG-OG 3.31Å; E234-S236 WeakPolarHBondContact CG-OG 3.28Å; E234-S236 PolarHBondContact O-N 2.82Å; E234-S236 VanDerWaalsContact O-N 3.14Å; E234-S236 WeakPolarHBondContact OE1-CB 3.35Å; E234-S236 PolarHBondContact OE1-OG 3.02Å; E234-T237 HydrophobicContact CB-CG2 4.3Å; E234-T237 PolarHBondContact O-N 2.97Å; E234-T237 PolarHBondContact O-OG1 2.93Å
235L85.1Confident72.9Confident70 Ų7084.4 Ų84.437%0.36643%0.428SS..Hα-helixtrans-57-34.5-172.8-62.7177.1000112.5Y180 V219 V233 T237 I238 E239Y180-L235 HydrophobicContact CD1-CD2 4.24Å; Y180-L235 HydrophobicContact CE1-CD2 3.61Å; V219-L235 HydrophobicContact CG1-CD2 4.33Å; V233-L235 PolarHBondContact O-N 2.71Å; L235-T237 VanDerWaalsContact C-N 3.28Å; L235-T237 PolarHBondContact O-N 3.19Å; L235-I238 HydrophobicContact CD2-CD1 4.46Å; L235-I238 PolarHBondContact O-N 2.88Å; L235-I238 VanDerWaalsContact O-N 3.12Å; L235-E239 WeakPolarHBondContact O-CG 3.33Å; L235-E239 PolarHBondContact O-N 3.27Å
236S85.8Confident74.9Confident46 Ų4680.9 Ų80.932%0.32240%0.398SS..Hα-helixtrans-53.8-40.4173.659.70000112.9E234 E239 E240E234-S236 VanDerWaalsContact CG-OG 3.31Å; E234-S236 WeakPolarHBondContact CG-OG 3.28Å; E234-S236 PolarHBondContact O-N 2.82Å; E234-S236 VanDerWaalsContact O-N 3.14Å; E234-S236 WeakPolarHBondContact OE1-CB 3.35Å; E234-S236 PolarHBondContact OE1-OG 3.02Å; S236-E239 PolarHBondContact O-N 2.71Å; S236-E240 PolarHBondContact O-N 2.9Å
237T88.9Confident77.1Confident54 Ų5471.7 Ų71.733%0.33137%0.367SS..Hα-helixtrans-70.4-35.5178.766.60000111.8V233 E234 L235 L241V233-T237 WeakPolarHBondContact CG1-OG1 3.48Å; E234-T237 HydrophobicContact CB-CG2 4.3Å; E234-T237 PolarHBondContact O-N 2.97Å; E234-T237 PolarHBondContact O-OG1 2.93Å; L235-T237 VanDerWaalsContact C-N 3.28Å; L235-T237 PolarHBondContact O-N 3.19Å; T237-L241 WeakPolarHBondContact O-CB 3.12Å; T237-L241 WeakPolarHBondContact O-CD1 3.36Å; T237-L241 WeakPolarHBondContact O-CG 3.3Å; T237-L241 PolarHBondContact O-N 3.13Å
238I89.5Confident79.2Confident0 Ų065 Ų650%034%0.342CS..Hα-helixtrans-68.3-40.9173.7-61.7164000109.5V167 Y180 V219 V233 L235 L241 I242V167-I238 HydrophobicContact CG1-CD1 4.47Å; V167-I238 HydrophobicContact CG1-CG1 4.5Å; V167-I238 HydrophobicContact CG2-CD1 4.13Å; V167-I238 HydrophobicContact CG2-CG1 4.25Å; V167-I238 HydrophobicContact CG2-CG2 4.08Å; Y180-I238 HydrophobicContact CE1-CD1 4.11Å; Y180-I238 HydrophobicContact CE2-CD1 3.89Å; V219-I238 HydrophobicContact CG1-CG2 4.04Å; V219-I238 HydrophobicContact CG2-CG2 4.46Å; V233-I238 HydrophobicContact CB-CD1 4.27Å; V233-I238 HydrophobicContact CG1-CD1 3.82Å; V233-I238 HydrophobicContact CG1-CG1 3.76Å; L235-I238 HydrophobicContact CD2-CD1 4.46Å; L235-I238 PolarHBondContact O-N 2.88Å; L235-I238 VanDerWaalsContact O-N 3.12Å; I238-L241 PolarHBondContact O-N 3.36Å; I238-I242 HydrophobicContact CG2-CD1 3.8Å; I238-I242 WeakPolarHBondContact O-CB 3.22Å; I238-I242 WeakPolarHBondContact O-CD1 3.29Å; I238-I242 WeakPolarHBondContact O-CG1 3.15Å; I238-I242 PolarHBondContact O-N 3.46Å
239E91.4Very high81.5Confident46 Ų4656.6 Ų56.622%0.21531%0.311CS..Hα-helixtrans-63.5-46175.8-71.8-171.8171.100112.5L217 V219 L235 S236 I242 K243L217-E239 HydrophobicContact CD1-CB 3.89Å; L217-E239 HydrophobicContact CD1-CG 3.96Å; V219-E239 HydrophobicContact CB-CG 3.89Å; V219-E239 HydrophobicContact CG2-CG 3.46Å; V219-E239 VanDerWaalsContact CG2-CG 3.46Å; V219-E239 PolarHBondContact N-OE1 2.76Å; L235-E239 WeakPolarHBondContact O-CG 3.33Å; L235-E239 PolarHBondContact O-N 3.27Å; S236-E239 PolarHBondContact O-N 2.71Å; E239-I242 PolarHBondContact O-N 3.18Å; E239-K243 VanDerWaalsContact O-CG 3.29Å; E239-K243 WeakPolarHBondContact O-CG 3.49Å; E239-K243 PolarHBondContact O-N 2.99Å
240E90.6Very high83.7Confident92 Ų9259.9 Ų59.943%0.4330%0.302SS..Hα-helixtrans-68.1-36.5176.2-68.6-52129.500113S236 I242 K243 D244S236-E240 PolarHBondContact O-N 2.9Å; E240-I242 VanDerWaalsContact C-N 3.33Å; E240-I242 PolarHBondContact O-N 2.77Å; E240-K243 PolarHBondContact O-N 3.33Å; E240-K243 VanDerWaalsContact OE1-CD 3.25Å; E240-K243 WeakPolarHBondContact OE1-CD 3.2Å; E240-K243 WeakPolarHBondContact OE1-CE 3.45Å; E240-K243 IonicContact OE1-NZ 3.87Å; E240-K243 PolarHBondContact OE1-NZ 2.88Å; E240-D244 WeakPolarHBondContact O-CB 3.35Å; E240-D244 PolarHBondContact O-N 2.89Å
241L91.8Very high86Confident36 Ų3653.7 Ų53.719%0.18827%0.274CS..Hα-helixtrans-64.4-36.9173.2-74.7169.1000112.1I121 I123 T237 I238 A245I121-L241 HydrophobicContact CG2-CD1 4.28Å; I123-L241 HydrophobicContact CD1-CB 4.04Å; I123-L241 HydrophobicContact CG2-CB 4.31Å; I123-L241 HydrophobicContact CG2-CD1 4.25Å; T237-L241 WeakPolarHBondContact O-CB 3.12Å; T237-L241 WeakPolarHBondContact O-CD1 3.36Å; T237-L241 WeakPolarHBondContact O-CG 3.3Å; T237-L241 PolarHBondContact O-N 3.13Å; I238-L241 PolarHBondContact O-N 3.36Å; L241-A245 WeakPolarHBondContact O-CB 3.33Å; L241-A245 PolarHBondContact O-N 2.83Å; L241-A245 VanDerWaalsContact O-N 3.08Å
242I92.3Very high87.9Confident0 Ų047.5 Ų47.50%025%0.252CS..Hα-helixtrans-69-42173.6-69.4162.7000110.7I123 F125 V165 V182 L217 V219 I238 E239 E240 A245 I246I123-I242 HydrophobicContact CD1-CG1 3.81Å; F125-I242 HydrophobicContact CE1-CG2 4.5Å; V165-I242 HydrophobicContact CG1-CD1 4.45Å; V165-I242 HydrophobicContact CG2-CD1 4.21Å; V182-I242 HydrophobicContact CG1-CD1 4.37Å; V182-I242 HydrophobicContact CG2-CD1 3.81Å; L217-I242 HydrophobicContact CD1-CB 4.33Å; L217-I242 HydrophobicContact CD1-CG2 4.13Å; V219-I242 HydrophobicContact CG2-CD1 3.91Å; I238-I242 HydrophobicContact CG2-CD1 3.8Å; I238-I242 WeakPolarHBondContact O-CB 3.22Å; I238-I242 WeakPolarHBondContact O-CD1 3.29Å; I238-I242 WeakPolarHBondContact O-CG1 3.15Å; I238-I242 PolarHBondContact O-N 3.46Å; E239-I242 PolarHBondContact O-N 3.18Å; E240-I242 VanDerWaalsContact C-N 3.33Å; E240-I242 PolarHBondContact O-N 2.77Å; I242-A245 PolarHBondContact O-N 3.4Å; I242-I246 HydrophobicContact CG2-CD1 3.69Å; I242-I246 WeakPolarHBondContact O-CD1 3.47Å; I242-I246 VanDerWaalsContact O-CG1 3.27Å; I242-I246 WeakPolarHBondContact O-CG1 3.5Å; I242-I246 PolarHBondContact O-N 2.75Å
243K92.3Very high89.6Confident41 Ų4143 Ų4318%0.17823%0.232CC..Hα-helixtrans-60.1-51.7175.6-73.9165.7-168.21710111.5L215 L217 E239 E240 A245 I246 V247L215-K243 HydrophobicContact CB-CG 4.31Å; L215-K243 HydrophobicContact CD1-CB 4.36Å; L215-K243 HydrophobicContact CD1-CG 4.34Å; L217-K243 HydrophobicContact CD1-CG 4.19Å; L217-K243 HydrophobicContact CD2-CD 4.22Å; L217-K243 HydrophobicContact CD2-CG 3.56Å; L217-K243 HydrophobicContact CG-CG 4.38Å; E239-K243 VanDerWaalsContact O-CG 3.29Å; E239-K243 WeakPolarHBondContact O-CG 3.49Å; E239-K243 PolarHBondContact O-N 2.99Å; E240-K243 PolarHBondContact O-N 3.33Å; E240-K243 VanDerWaalsContact OE1-CD 3.25Å; E240-K243 WeakPolarHBondContact OE1-CD 3.2Å; E240-K243 WeakPolarHBondContact OE1-CE 3.45Å; E240-K243 IonicContact OE1-NZ 3.87Å; E240-K243 PolarHBondContact OE1-NZ 2.88Å; K243-A245 PolarHBondContact O-N 3.43Å; K243-I246 PolarHBondContact O-N 2.99Å; K243-V247 VanDerWaalsContact O-CG2 3.29Å; K243-V247 WeakPolarHBondContact O-CG2 3.34Å; K243-V247 PolarHBondContact O-N 3.25Å
244D91.8Very high91Very high53 Ų5345.7 Ų45.728%0.28324%0.244SC..Hα-helixtrans-57.6-48.3177.6173.349.1000111.2N117 E240 I246 V247 S248N117-D244 PolarHBondContact ND2-OD2 3.45Å; E240-D244 WeakPolarHBondContact O-CB 3.35Å; E240-D244 PolarHBondContact O-N 2.89Å; D244-I246 VanDerWaalsContact C-N 3.28Å; D244-I246 PolarHBondContact O-N 3.24Å; D244-V247 PolarHBondContact O-N 2.86Å; D244-S248 WeakPolarHBondContact O-CB 3.23Å; D244-S248 PolarHBondContact O-N 3.09Å; D244-S248 PolarHBondContact O-OG 2.84Å; D244-S248 WeakPolarHBondContact OD1-CB 3.26Å; D244-S248 PolarHBondContact OD1-OG 2.99Å
245A92.6Very high91.2Very high0 Ų040.4 Ų40.40%022%0.221CC..Hα-helixtrans-56.7-4117700000112.4L110 F125 L241 I242 K243 T249L110-A245 HydrophobicContact CD2-CB 4.05Å; L110-A245 VanDerWaalsContact CD2-O 3.31Å; L110-A245 WeakPolarHBondContact CD2-O 3.43Å; F125-A245 HydrophobicContact CE2-CB 4.22Å; F125-A245 HydrophobicContact CZ-CB 4.1Å; L241-A245 WeakPolarHBondContact O-CB 3.33Å; L241-A245 PolarHBondContact O-N 2.83Å; L241-A245 VanDerWaalsContact O-N 3.08Å; I242-A245 PolarHBondContact O-N 3.4Å; K243-A245 PolarHBondContact O-N 3.43Å; A245-T249 WeakPolarHBondContact O-CB 3.32Å; A245-T249 WeakPolarHBondContact O-CG2 3.44Å; A245-T249 PolarHBondContact O-N 3.4Å; A245-T249 PolarHBondContact O-OG1 3.21Å
246I92.1Very high91.1Very high4 Ų442.1 Ų42.12%0.02123%0.23CC..Hα-helixtrans-72.8-39.6179.8-66.5166.6000112.5W106 L110 L184 F209 L215 I242 K243 D244 T249W106-I246 HydrophobicContact CZ2-CG2 4.25Å; L110-I246 HydrophobicContact CD2-CG1 3.88Å; L184-I246 HydrophobicContact CD1-CD1 4.42Å; L184-I246 HydrophobicContact CD2-CD1 3.93Å; F209-I246 HydrophobicContact CE2-CG2 4.11Å; L215-I246 HydrophobicContact CD1-CB 3.75Å; L215-I246 HydrophobicContact CD1-CD1 4.45Å; L215-I246 HydrophobicContact CD1-CG2 3.58Å; L215-I246 HydrophobicContact CD2-CG2 4.06Å; I242-I246 HydrophobicContact CG2-CD1 3.69Å; I242-I246 WeakPolarHBondContact O-CD1 3.47Å; I242-I246 VanDerWaalsContact O-CG1 3.27Å; I242-I246 WeakPolarHBondContact O-CG1 3.5Å; I242-I246 PolarHBondContact O-N 2.75Å; K243-I246 PolarHBondContact O-N 2.99Å; D244-I246 VanDerWaalsContact C-N 3.28Å; D244-I246 PolarHBondContact O-N 3.24Å; I246-T249 PolarHBondContact O-OG1 3.44Å
247V92.4Very high90.1Very high35 Ų3542.5 Ų42.521%0.21223%0.228CC..Hα-helixtrans-73.2-43.5179.4174.60000111.4R212 P213 L215 K243 D244R212-V247 HydrophobicContact CB-CG1 4.41Å; R212-V247 HydrophobicContact CG-CG1 4Å; R212-V247 HydrophobicContact CG-CG2 4.06Å; P213-V247 HydrophobicContact CG-CG2 4.09Å; L215-V247 HydrophobicContact CD1-CG2 3.83Å; K243-V247 VanDerWaalsContact O-CG2 3.29Å; K243-V247 WeakPolarHBondContact O-CG2 3.34Å; K243-V247 PolarHBondContact O-N 3.25Å; D244-V247 PolarHBondContact O-N 2.86Å
248S90.5Very high88.6Confident54 Ų5447.5 Ų47.538%0.37824%0.241SC..SBendtrans-89.41.8-170.8-57.70000113.9D244D244-S248 WeakPolarHBondContact O-CB 3.23Å; D244-S248 PolarHBondContact O-N 3.09Å; D244-S248 PolarHBondContact O-OG 2.84Å; D244-S248 WeakPolarHBondContact OD1-CB 3.26Å; D244-S248 PolarHBondContact OD1-OG 2.99Å
249T93.1Very high86.5Confident5 Ų550.9 Ų50.93%0.03127%0.269CS..  trans-86.2141.317633.50000113.5A109 L110 Q113 A245 I246A109-T249 VanDerWaalsContact C-CG2 3.5Å; A109-T249 HydrophobicContact CB-CG2 4.14Å; A109-T249 VanDerWaalsContact O-CG2 3.29Å; A109-T249 WeakPolarHBondContact O-CG2 3.39Å; L110-T249 HydrophobicContact CD2-CG2 4.05Å; L110-T249 HydrophobicContact CG-CG2 4.34Å; Q113-T249 HydrophobicContact CB-CG2 3.6Å; Q113-T249 HydrophobicContact CG-CG2 4.13Å; A245-T249 WeakPolarHBondContact O-CB 3.32Å; A245-T249 WeakPolarHBondContact O-CG2 3.44Å; A245-T249 PolarHBondContact O-N 3.4Å; A245-T249 PolarHBondContact O-OG1 3.21Å; I246-T249 PolarHBondContact O-OG1 3.44Å
250Q93.5Very high83.8Confident157 Ų15754.9 Ų54.973%0.73430%0.3SS*.  trans-124.283.8169.5-58-173.3-12.500108.8W207 A208W207-Q250 CarbonylContact O-C 3.58Å; W207-Q250 WeakPolarHBondContact O-CA 3.45Å; A208-Q250 HydrophobicContact CB-CG 3.92Å
251P95.1Very high81.1Confident2 Ų255.8 Ų55.81%0.01332%0.317CS..  trans-72.1154.4-175.2-16.532000112.6W106 A109 S206 W207W106-P251 HydrophobicContact CB-CG 4.29Å; W106-P251 VanDerWaalsContact CD1-CG 3.4Å; W106-P251 HydrophobicContact CG-CG 4.02Å; A109-P251 HydrophobicContact CB-CB 3.72Å; A109-P251 HydrophobicContact CB-CG 3.86Å; S206-P251 WeakPolarHBondContact CA-O 2.73Å; W207-P251 HydrophobicContact CD2-CB 4.29Å; W207-P251 HydrophobicContact CH2-CB 4.28Å; W207-P251 HydrophobicContact CZ2-CB 3.7Å; W207-P251 HydrophobicContact CZ2-CG 4.29Å; W207-P251 PolarHBondContact N-O 2.97Å; W207-P251 WeakPolarHBondContact O-CD 3.43Å
252A94.2Very high78.2Confident45 Ų4558.1 Ų58.137%0.37234%0.341SS..EExtended strand (participates in β ladder)trans-141.5150.3176.900000113.2L204 I205L204-A252 HydrophobicContact CD1-CB 4.23Å; I205-A252 CarbonylContact O-C 3.56Å; I205-A252 VanDerWaalsContact O-CA 3.31Å; I205-A252 WeakPolarHBondContact O-CA 3.38Å
253M93.6Very high75.4Confident14 Ų1465 Ų657%0.06939%0.386CS..EExtended strand (participates in β ladder)trans-149.2144.2173.665.4-169.9-91.800112.6F98 N101 W102 A105 I205 W207 V255F98-M253 HydrophobicContact CD2-CE 4.21Å; F98-M253 HydrophobicContact CE2-CE 4.11Å; N101-M253 HydrophobicContact CB-CE 3.64Å; W102-M253 HydrophobicContact CB-SD 4.21Å; W102-M253 HydrophobicContact CE3-SD 4.36Å; A105-M253 HydrophobicContact CB-CB 3.96Å; A105-M253 HydrophobicContact CB-SD 4.33Å; I205-M253 HydrophobicContact CB-CG 4.2Å; I205-M253 PolarHBondContact N-O 3.39Å; I205-M253 PolarHBondContact O-N 3.07Å; W207-M253 HydrophobicContact CH2-CG 4.17Å; W207-M253 HydrophobicContact CH2-SD 3.79Å; W207-M253 HydrophobicContact CZ3-CG 3.9Å; W207-M253 HydrophobicContact CZ3-SD 3.95Å; M253-V255 HydrophobicContact CE-CG2 3.61Å; M253-V255 HydrophobicContact CG-CG2 4.28Å
254M92.1Very high72.8Confident74 Ų7466.8 Ų66.837%0.36542%0.416SS..EExtended strand (participates in β ladder)trans-88.9135.4172.5-17458.67000110.9I198 E201 G202 L203 L204I198-M254 HydrophobicContact CB-CE 3.91Å; I198-M254 HydrophobicContact CG1-CE 3.85Å; I198-M254 HydrophobicContact CG2-CE 4.33Å; E201-M254 HydrophobicContact CB-CE 3.85Å; E201-M254 HydrophobicContact CB-SD 4.21Å; G202-M254 VanDerWaalsContact C-SD 3.57Å; L203-M254 VanDerWaalsContact C-SD 3.53Å; L204-M254 HydrophobicContact CB-CE 4.12Å
255V87.5Confident69.9Low21 Ų2167.7 Ų67.713%0.12744%0.438CS..EExtended strand (participates in β ladder)trans-129.4117.9-178.9-1780000110.9F98 L203 I205 M253 L257F98-V255 HydrophobicContact CE2-CG2 4.23Å; L203-V255 WeakPolarHBondContact CB-O 3.5Å; L203-V255 PolarHBondContact N-O 3.11Å; L203-V255 PolarHBondContact O-N 3.36Å; I205-V255 HydrophobicContact CD1-CB 4.22Å; I205-V255 HydrophobicContact CD1-CG2 3.66Å; I205-V255 HydrophobicContact CG1-CG2 4.19Å; M253-V255 HydrophobicContact CE-CG2 3.61Å; M253-V255 HydrophobicContact CG-CG2 4.28Å; V255-L257 HydrophobicContact CG1-CD2 3.76Å; V255-L257 HydrophobicContact CG1-CG 4.14Å; V255-L257 PolarHBondContact O-N 2.65Å; V255-L257 VanDerWaalsContact O-N 3.13Å
256N81.9Confident67.3Low106 Ų10675.6 Ų75.657%0.56748%0.479SS*.  trans-83.785.6177.4-97.6-106.4000111.7E201 R258E201-N256 PolarHBondContact O-ND2 3.46Å; N256-R258 VanDerWaalsContact C-N 3.31Å; N256-R258 PolarHBondContact O-N 3.22Å
257L64.4Low64.8Low53 Ų5381.8 Ų81.828%0.27752%0.517SS..  trans-74.178.7174.2-65.5-171.9000111.9V65 L92 L203 V255 A259V65-L257 HydrophobicContact CG1-CB 4.18Å; V65-L257 HydrophobicContact CG1-CD1 4.16Å; V65-L257 WeakPolarHBondContact CG2-O 3.41Å; L92-L257 HydrophobicContact CD2-CD2 4.09Å; L203-L257 HydrophobicContact CB-CD1 4.49Å; L203-L257 HydrophobicContact CB-CG 4.48Å; L203-L257 HydrophobicContact CD2-CD1 3.61Å; L203-L257 HydrophobicContact CD2-CG 4.25Å; V255-L257 HydrophobicContact CG1-CD2 3.76Å; V255-L257 HydrophobicContact CG1-CG 4.14Å; V255-L257 PolarHBondContact O-N 2.65Å; V255-L257 VanDerWaalsContact O-N 3.13Å; L257-A259 PolarHBondContact O-N 3.17Å
258R57.6Low62.2Low160 Ų16085.3 Ų85.360%0.60454%0.541SS*.  trans-6998.9167.3-67.8-172.7179.2-164.5-2.4109.5N256 C260N256-R258 VanDerWaalsContact C-N 3.31Å; N256-R258 PolarHBondContact O-N 3.22Å; R258-C260 PolarHBondContact O-N 3.03Å; R258-C260 VanDerWaalsContact O-N 3.13Å
259A46.7Very low59.3Low70 Ų7088 Ų8858%0.57956%0.559SS**  trans-61.3113.5173.200000110.2V65 L257 S261V65-A259 HydrophobicContact CG2-CB 4.49Å; L257-A259 PolarHBondContact O-N 3.17Å; A259-S261 PolarHBondContact O-N 3.15Å
260C33.1Very low56.3Low130 Ų13096 Ų9688%0.87860%0.596SS**  trans-69.594.1170-68.10000109R258 A262R258-C260 PolarHBondContact O-N 3.03Å; R258-C260 VanDerWaalsContact O-N 3.13Å; C260-A262 PolarHBondContact O-N 3.3Å
261S35.1Very low53.7Low112 Ų11296.1 Ų96.178%0.78360%0.595SS**  trans-56.2119.7168.653.50000109.3A259A259-S261 PolarHBondContact O-N 3.15Å
262A30.5Very low51.8Low84 Ų84101.3 Ų101.369%0.69463%0.628SS**  trans-59.5141.5175.800000110C260 G264C260-A262 PolarHBondContact O-N 3.3Å; A262-G264 VanDerWaalsContact C-N 3.35Å; A262-G264 PolarHBondContact O-N 3.17Å
263P33.8Very low49.6Very low145 Ų145104.4 Ų104.494%0.94265%0.645SS**SBendtrans-71.188.4-177.829-34.7000110.5
264G36.8Very low46.7Very low78 Ų78111.7 Ų111.780%0.80468%0.68SS**  trans-179.850.4-171.600000114.4A262A262-G264 VanDerWaalsContact C-N 3.35Å; A262-G264 PolarHBondContact O-N 3.17Å
265G31Very low43.8Very low73 Ų73115.7 Ų115.775%0.75370%0.703SS**  trans-154.5135173.300000110.5
266L38.7Very low41.5Very low165 Ų165120.1 Ų120.186%0.86473%0.731SS**  trans-116.8140.4-169.1-69167.5000112.1
267V38.6Very low39.2Very low134 Ų134121.3 Ų121.381%0.81273%0.734SS**  trans68156.8162.4-148.40000116.3
268P37.8Very low37.9Very low110 Ų110123.8 Ų123.871%0.71476%0.762SS**  -108.1-179.4-52.133.6-20.9000112.5
269S29.7Very low36.9Very low109 Ų109123 Ų12376%0.76277%0.765SS**  trans-124.2103.5175.1169.40000112.5
270E31.2Very low36.4Very low174 Ų174124.9 Ų124.981%0.81377%0.771SS**  trans-99.9162.1159.8-67.1-165.4133.500112.2
271K38.6Very low36.5Very low160 Ų160123.2 Ų123.270%0.69677%0.767SS**  trans-159.9168.3-158.6-166.7-170.5-178.5-173.60107.1
272P53.9Low37.2Very low110 Ų110124.3 Ų124.371%0.71476%0.762SS**  cis-106.5-152.3-130.627.1000111.6
273P49.6Very low38.4Very low111 Ų111123.6 Ų123.672%0.72175%0.751SS**  cis-131.7169.93.339.8-20.9000118.9
274M31.8Very low39.7Very low166 Ų166124.6 Ų124.682%0.81874%0.736SS**  trans14.7138.4155.4-66.2167.660.600120.3
275L31.6Very low41.2Very low159 Ų159121.6 Ų121.683%0.83270%0.702SS**  cis-132.8177.547.9-104.390.1000115.2
276P38.5Very low43.2Very low113 Ų113121.4 Ų121.473%0.73469%0.687SS**  trans-106.9137.2-171.237.5-29.4000115.9
277Q33.3Very low45.5Very low131 Ų131118.3 Ų118.361%0.61266%0.663SS**  trans-131.9154.8158.9-114.7179.4-21.800110.5
278A37.5Very low47.8Very low105 Ų105111.9 Ų111.987%0.86863%0.625SS**PPolyproline II helixtrans-83.7120.8-157.600000114.4
279Q36.4Very low50.3Low144 Ų144109.5 Ų109.567%0.67360%0.603SS**PPolyproline II helixtrans-84.2150.5167.5-64.2-169.6-1.900111.6A281Q279-A281 PolarHBondContact O-N 3.36Å
280P36.1Very low53.2Low110 Ų110104.3 Ų104.371%0.71457%0.567SS**PPolyproline II helixtrans-57.5125.3168.9-21.932.9000110.5I282P280-I282 PolarHBondContact O-N 3.27Å; P280-I282 VanDerWaalsContact O-N 3.1Å
281A36.8Very low56Low95 Ų95100.2 Ų100.279%0.78554%0.544SS*.  trans-69.3109.2-176.800000111Q279Q279-A281 PolarHBondContact O-N 3.36Å
282I49.5Very low58.3Low134 Ų13497.1 Ų97.169%0.68753%0.532SS*.  trans-56.1129.3146-59.8172000105.7P280 R284P280-I282 PolarHBondContact O-N 3.27Å; P280-I282 VanDerWaalsContact O-N 3.1Å; I282-R284 PolarHBondContact O-N 2.91Å
283P54.1Low60Low70 Ų7091.9 Ų91.946%0.45550%0.498SS..  trans-54.2110.3172.8-26.235.8000109.5E409P283-E409 HydrophobicContact CB-CG 3.65Å; P283-E409 WeakPolarHBondContact CB-OE1 3.47Å
284R62.6Low61.9Low166 Ų16691.4 Ų91.463%0.62648%0.482SS*.  trans-84136.4173.6-69.3-177.8177.8143.60.5107.2I282 T286I282-R284 PolarHBondContact O-N 2.91Å; R284-T286 PolarHBondContact O-N 3.1Å
285P66.9Low64.6Low14 Ų1483.5 Ų83.59%0.09144%0.443CS..  trans-58.9126.5172.126.2-34.6000108.3R287 L342 P375 Y407 D408P285-R287 VanDerWaalsContact C-N 3.33Å; P285-L342 HydrophobicContact CB-CD1 4.17Å; P285-L342 HydrophobicContact CG-CD1 3.96Å; P285-L342 WeakPolarHBondContact O-CB 3.43Å; P285-P375 HydrophobicContact CG-CB 4.15Å; P285-P375 HydrophobicContact CG-CG 4.28Å; P285-Y407 HydrophobicContact CB-CD1 4.07Å; P285-Y407 HydrophobicContact CB-CG 4.46Å; P285-Y407 HydrophobicContact CG-CD1 3.69Å; P285-Y407 HydrophobicContact CG-CG 4.33Å; P285-D408 CarbonylContact C-O 3.51Å; P285-D408 WeakPolarHBondContact CA-O 3.49Å; P285-D408 WeakPolarHBondContact CB-O 3.19Å
286T73.9Confident67.3Low70 Ų7076.8 Ų76.843%0.42941%0.409SS..SBendtrans-86.5-13.7-178.745.90000111.5R284 L342 D408 G410R284-T286 PolarHBondContact O-N 3.1Å; T286-L342 PolarHBondContact O-N 2.86Å; T286-D408 PolarHBondContact N-O 3.22Å; T286-D408 VanDerWaalsContact N-O 3.09Å; T286-G410 WeakPolarHBondContact OG1-CA 3.4Å
287R86.1Confident69.3Low99 Ų9977 Ų7737%0.37440%0.4SS..EExtended strand (participates in β ladder)trans-141.3150.9179.2-70.9-176.4174.9134.83.8112.4P285 F289 L340 D341 D408P285-R287 VanDerWaalsContact C-N 3.33Å; R287-F289 HydrophobicContact CB-CE2 4.05Å; R287-L340 VanDerWaalsContact CA-O 3.32Å; R287-L340 WeakPolarHBondContact CA-O 3.44Å; R287-D341 IonicContact CZ-OD1 2.97Å; R287-D341 IonicContact NE-OD1 3.43Å; R287-D341 PolarHBondContact NE-OD1 3.19Å; R287-D341 IonicContact NH2-OD1 2.59Å; R287-D341 PolarHBondContact NH2-OD1 3.42Å; R287-D408 HydrophobicContact CB-CB 4.32Å; R287-D408 PolarHBondContact O-N 2.9Å
288L88.7Confident71.3Confident0 Ų071.1 Ų71.10%037%0.373CS..EExtended strand (participates in β ladder)trans-119.9119.9170173.158000108.3L290 L340 L342 L349 L405 Y407L288-L290 HydrophobicContact CD1-CD2 4.11Å; L288-L290 HydrophobicContact CD2-CD2 3.95Å; L288-L290 HydrophobicContact CG-CD2 3.82Å; L288-L340 PolarHBondContact N-O 2.94Å; L288-L340 PolarHBondContact O-N 2.92Å; L288-L342 HydrophobicContact CB-CD1 4.04Å; L288-L342 HydrophobicContact CB-CD2 3.87Å; L288-L342 HydrophobicContact CB-CG 3.93Å; L288-L342 HydrophobicContact CD2-CD2 4.35Å; L288-L349 HydrophobicContact CD2-CD2 4.05Å; L288-L405 HydrophobicContact CD1-CB 3.82Å; L288-L405 HydrophobicContact CD1-CD2 4.23Å; L288-L405 HydrophobicContact CD1-CG 4.16Å; L288-L405 HydrophobicContact CD2-CD2 4.31Å; L288-Y407 HydrophobicContact CD1-CD1 4.32Å; L288-Y407 HydrophobicContact CD1-CD2 4.48Å; L288-Y407 HydrophobicContact CD1-CE1 4.16Å; L288-Y407 HydrophobicContact CD1-CE2 4.3Å; L288-Y407 HydrophobicContact CD1-CG 4.49Å
289F89.9Confident72.8Confident60 Ų6067.2 Ų67.226%0.26334%0.343SS..EExtended strand (participates in β ladder)trans-97.4126.4169.4-65.4-92.1000108.9R287 R291 A339 Q406 D408R287-F289 HydrophobicContact CB-CE2 4.05Å; F289-R291 HydrophobicContact CB-CG 4.25Å; F289-A339 HydrophobicContact CD1-CB 3.61Å; F289-A339 HydrophobicContact CE1-CB 3.5Å; F289-A339 HydrophobicContact CG-CB 4.49Å; F289-A339 HydrophobicContact CZ-CB 4.31Å; F289-Q406 HydrophobicContact CB-CB 4.3Å; F289-Q406 PolarHBondContact N-O 2.95Å; F289-Q406 PolarHBondContact O-N 2.96Å; F289-D408 HydrophobicContact CD2-CB 4.23Å; F289-D408 HydrophobicContact CE2-CB 3.83Å
290L90.1Very high73.8Confident0 Ų067.8 Ų67.80%035%0.351CS..EExtended strand (participates in β ladder)trans-99121.7172.1-52.1178.6000107.7L288 L293 A312 D337 L338 L340 L349 L351 V403 E404 L405L288-L290 HydrophobicContact CD1-CD2 4.11Å; L288-L290 HydrophobicContact CD2-CD2 3.95Å; L288-L290 HydrophobicContact CG-CD2 3.82Å; L290-L293 HydrophobicContact CB-CD1 3.95Å; L290-L293 WeakPolarHBondContact O-CD1 3.49Å; L290-A312 HydrophobicContact CD1-CB 3.5Å; L290-D337 CarbonylContact O-C 3.57Å; L290-D337 VanDerWaalsContact O-CA 3.3Å; L290-D337 WeakPolarHBondContact O-CA 3.22Å; L290-L338 HydrophobicContact CB-CB 4.26Å; L290-L338 HydrophobicContact CD1-CB 4.46Å; L290-L338 PolarHBondContact N-O 2.84Å; L290-L338 PolarHBondContact O-N 2.89Å; L290-L340 HydrophobicContact CD1-CD1 3.93Å; L290-L349 HydrophobicContact CD1-CD1 4.11Å; L290-L349 HydrophobicContact CD1-CD2 3.85Å; L290-L349 HydrophobicContact CD2-CD2 3.5Å; L290-L349 VanDerWaalsContact CD2-CD2 3.5Å; L290-L349 HydrophobicContact CG-CD2 4.31Å; L290-L351 HydrophobicContact CD1-CD2 4.07Å; L290-V403 HydrophobicContact CB-CG2 4.01Å; L290-V403 HydrophobicContact CD2-CG2 4.16Å; L290-E404 WeakPolarHBondContact CA-O 3.46Å; L290-L405 HydrophobicContact CD2-CG 3.95Å
291R89.3Confident75Confident87 Ų8770.8 Ų70.833%0.32836%0.355SS..EExtended strand (participates in β ladder)trans-129.5156.5-171.1-41.5-16569.6-173.81.5109.9F289 L293 D337 E404 Q406F289-R291 HydrophobicContact CB-CG 4.25Å; R291-L293 VanDerWaalsContact C-N 3.29Å; R291-L293 PolarHBondContact O-N 3.29Å; R291-D337 WeakPolarHBondContact CA-OD1 3.32Å; R291-D337 WeakPolarHBondContact CB-OD1 3.28Å; R291-D337 WeakPolarHBondContact CG-OD1 3.41Å; R291-D337 IonicContact CZ-OD1 3.72Å; R291-D337 IonicContact CZ-OD2 2.78Å; R291-D337 VanDerWaalsContact CZ-OD2 3.29Å; R291-D337 IonicContact NE-OD1 3.72Å; R291-D337 PolarHBondContact NE-OD1 3.14Å; R291-D337 IonicContact NE-OD2 3.64Å; R291-D337 PolarHBondContact NE-OD2 2.96Å; R291-D337 VanDerWaalsContact NE-OD2 3.11Å; R291-D337 IonicContact NH2-OD1 2.71Å; R291-D337 IonicContact NH2-OD2 2.94Å; R291-D337 PolarHBondContact NH2-OD2 3.13Å; R291-E404 HydrophobicContact CB-CB 4.27Å; R291-E404 PolarHBondContact N-O 3.03Å; R291-E404 PolarHBondContact O-N 2.79Å; R291-Q406 VanDerWaalsContact NH1-OE1 3.15Å
292Q87.2Confident76.2Confident96 Ų9667.1 Ų67.145%0.44932%0.322SS..EExtended strand (participates in β ladder)trans50.347.6179.2-61.2159.142.900112.2R294 E404Q292-R294 PolarHBondContact O-N 3.47Å; Q292-E404 PolarHBondContact NE2-OE2 3.3Å
293L89.7Confident76.7Confident0 Ų067.9 Ų67.90%032%0.323CS..EExtended strand (participates in β ladder)trans-70.1120.9177.7-70.186.6000108.5L290 R291 C310 E333 W334 L338 A402 V403L290-L293 HydrophobicContact CB-CD1 3.95Å; L290-L293 WeakPolarHBondContact O-CD1 3.49Å; R291-L293 VanDerWaalsContact C-N 3.29Å; R291-L293 PolarHBondContact O-N 3.29Å; L293-C310 HydrophobicContact CD2-CB 4.44Å; L293-E333 WeakPolarHBondContact O-CA 3.08Å; L293-W334 HydrophobicContact CB-CB 4.48Å; L293-W334 HydrophobicContact CB-CE3 3.97Å; L293-W334 PolarHBondContact O-N 2.82Å; L293-L338 HydrophobicContact CD2-CD1 4.28Å; L293-A402 WeakPolarHBondContact CA-O 3.35Å; L293-V403 HydrophobicContact CG-CG2 4.14Å
294R90.4Very high76.9Confident101 Ų10166.8 Ų66.838%0.38132%0.324SS..EExtended strand (participates in β ladder)trans-142.1123.1-177.1179-169.9-84.5-144.77.8110.4Q292 E331 V332 E333 A402Q292-R294 PolarHBondContact O-N 3.47Å; R294-E331 VanDerWaalsContact CD-OE1 3.3Å; R294-E331 WeakPolarHBondContact CD-OE1 3.34Å; R294-E331 HydrophobicContact CG-CG 4.28Å; R294-E331 IonicContact CZ-OE1 3.49Å; R294-E331 IonicContact NE-OE1 3.88Å; R294-E331 IonicContact NH1-OE1 2.69Å; R294-E331 PolarHBondContact NH1-OE1 3.43Å; R294-E331 IonicContact NH1-OE2 3.95Å; R294-V332 CarbonylContact C-O 3.53Å; R294-V332 VanDerWaalsContact CA-O 3.3Å; R294-V332 WeakPolarHBondContact CA-O 3.29Å; R294-E333 HydrophobicContact CB-CB 4.36Å; R294-E333 HydrophobicContact CB-CG 4.38Å; R294-E333 HydrophobicContact CG-CB 4.29Å; R294-E333 IonicContact CZ-OE2 2.65Å; R294-E333 IonicContact NE-OE2 3.15Å; R294-E333 PolarHBondContact NE-OE2 2.9Å; R294-E333 IonicContact NH2-OE2 3.69Å; R294-E333 PolarHBondContact NH2-OE2 3.23Å; R294-A402 HydrophobicContact CB-CB 4.46Å; R294-A402 PolarHBondContact N-O 2.97Å; R294-A402 PolarHBondContact O-N 2.71Å
295A89.1Confident76.9Confident0 Ų064.8 Ų64.80%033%0.331CS..EExtended strand (participates in β ladder)trans-101138171.900000110.3L298 E331 V332 W334 V353 T400 M401A295-L298 HydrophobicContact CB-CD1 3.82Å; A295-L298 HydrophobicContact CB-CD2 4.15Å; A295-L298 HydrophobicContact CB-CG 4.14Å; A295-E331 CarbonylContact O-C 3.59Å; A295-E331 WeakPolarHBondContact O-CA 3.27Å; A295-V332 PolarHBondContact N-O 2.87Å; A295-V332 PolarHBondContact O-N 2.82Å; A295-W334 HydrophobicContact CB-CH2 3.82Å; A295-W334 HydrophobicContact CB-CZ3 3.84Å; A295-V353 HydrophobicContact CB-CG2 4.31Å; A295-T400 WeakPolarHBondContact CA-O 3.47Å; A295-M401 HydrophobicContact CB-CE 3.95Å; A295-M401 HydrophobicContact CB-SD 4.46Å
296S86.9Confident77.3Confident17 Ų1766.2 Ų66.212%0.11934%0.336CS..EExtended strand (participates in β ladder)trans-135.8154.5-179.366.80000112.5L298 P330 A399 T400S296-L298 VanDerWaalsContact C-N 3.28Å; S296-L298 PolarHBondContact O-N 3.4Å; S296-P330 CarbonylContact C-O 3.56Å; S296-A399 WeakPolarHBondContact O-CA 3.27Å; S296-T400 PolarHBondContact N-O 2.95Å; S296-T400 PolarHBondContact O-N 2.84Å; S296-T400 PolarHBondContact OG-OG1 2.94Å
297H81.6Confident77.9Confident117 Ų11767.3 Ų67.354%0.54234%0.336SS..  trans5833.9-179.2-46.5-71.3000114.1G299 P330 A398H297-G299 PolarHBondContact O-N 3.33Å; H297-P330 PolarHBondContact N-O 2.92Å; H297-A398 PolarHBondContact CD2-O 2.82Å
298L73.8Confident78Confident8 Ų862.6 Ų62.64%0.04232%0.318CS..  trans-65.3-19.1-177.5-68.6176.5000114.4A295 S296 L302 L308 V353 L387 L395A295-L298 HydrophobicContact CB-CD1 3.82Å; A295-L298 HydrophobicContact CB-CD2 4.15Å; A295-L298 HydrophobicContact CB-CG 4.14Å; S296-L298 VanDerWaalsContact C-N 3.28Å; S296-L298 PolarHBondContact O-N 3.4Å; L298-L302 HydrophobicContact CB-CD1 3.73Å; L298-L308 HydrophobicContact CD1-CD1 3.48Å; L298-L308 VanDerWaalsContact CD1-CD1 3.48Å; L298-V353 HydrophobicContact CD1-CG1 4.34Å; L298-L387 HydrophobicContact CD2-CD1 3.6Å; L298-L395 HydrophobicContact CD2-CD1 4.2Å; L298-L395 WeakPolarHBondContact O-CD1 3.01Å
299G69.1Low78Confident23 Ų2362.9 Ų62.924%0.23732%0.321CS..  trans126.4163179.400000112.4H297H297-G299 PolarHBondContact O-N 3.33Å
300N58.9Low78Confident157 Ų15760 Ų6084%0.8431%0.308SS*.SBendtrans-92.1-8.6177.4-95.425.1000113.6L302N300-L302 PolarHBondContact O-N 3.17Å; N300-L302 VanDerWaalsContact O-N 3.15Å
301E60.9Low78.1Confident172 Ų17260.2 Ų60.280%0.80431%0.309SS*.  trans-86.439177.4-58.3-177.6168.100112.2R355E301-R355 PolarHBondContact O-NH2 3.32Å
302L62.3Low78.3Confident19 Ų1956.1 Ų56.110%0.09929%0.294CS..  trans-113.992.8175.7-76.2166.1000106.9L298 N300 L308 A328 G329 L365L298-L302 HydrophobicContact CB-CD1 3.73Å; N300-L302 PolarHBondContact O-N 3.17Å; N300-L302 VanDerWaalsContact O-N 3.15Å; L302-L308 HydrophobicContact CD1-CD1 4.38Å; L302-L308 HydrophobicContact CD2-CD1 4.35Å; L302-L308 HydrophobicContact CD2-CD2 4.1Å; L302-A328 HydrophobicContact CB-CB 4.18Å; L302-A328 HydrophobicContact CD2-CB 4.08Å; L302-G329 WeakPolarHBondContact CD1-O 3.48Å; L302-L365 HydrophobicContact CD2-CD1 4.12Å
303E59.3Low78.5Confident150 Ų15053.2 Ų53.270%0.70128%0.28SS*.  trans-67.3137.3175.9-66.3-162.1160.100109.7T305 E306E303-T305 PolarHBondContact O-N 2.77Å; E303-E306 PolarHBondContact O-N 3.17Å
304G58.7Low78.6Confident47 Ų4753.2 Ų53.249%0.48528%0.28SS..THydrogen-bonded Turntrans-66.89.1-170.100000116.7
305T62.8Low78.4Confident124 Ų12450.7 Ų50.776%0.76127%0.274SS*.THydrogen-bonded Turntrans-99.2-16.7174.1-45.90000111.9E303E303-T305 PolarHBondContact O-N 2.77Å
306E75.1Confident77.9Confident44 Ų4453.7 Ų53.721%0.20629%0.29CS..  trans-77.1155.4174.1-60.2-176.814200111.5E303 A328 R355E303-E306 PolarHBondContact O-N 3.17Å; E306-A328 HydrophobicContact CB-CB 3.83Å; E306-A328 WeakPolarHBondContact O-CB 3.28Å; E306-A328 PolarHBondContact O-N 3.23Å; E306-R355 VanDerWaalsContact OE1-CD 3.31Å; E306-R355 WeakPolarHBondContact OE1-CD 3.44Å; E306-R355 IonicContact OE1-CZ 2.71Å; E306-R355 IonicContact OE1-NE 2.76Å; E306-R355 IonicContact OE1-NH1 3.18Å; E306-R355 PolarHBondContact OE1-NH1 2.76Å; E306-R355 IonicContact OE2-CZ 3.6Å; E306-R355 IonicContact OE2-NE 2.71Å; E306-R355 PolarHBondContact OE2-NE 2.95Å; E306-R355 IonicContact OE2-NH1 3.8Å; E306-R355 PolarHBondContact OE2-NH1 3.42Å; E306-R355 IonicContact OE2-NH2 3.71Å
307E85.9Confident77.6Confident92 Ų9255 Ų5543%0.4330%0.299SS..EExtended strand (participates in β ladder)trans-120.7142.4174.3-56-167.9138.500111.2P325 A326 S356E307-P325 HydrophobicContact CB-CB 3.76Å; E307-P325 HydrophobicContact CG-CB 4.39Å; E307-P325 WeakPolarHBondContact OE2-CB 3.31Å; E307-A326 CarbonylContact C-O 3.55Å; E307-A326 WeakPolarHBondContact CA-O 3.38Å; E307-S356 PolarHBondContact N-O 2.9Å; E307-S356 PolarHBondContact O-N 2.77Å
308L87.6Confident77.7Confident0 Ų056.1 Ų56.10%031%0.305CS..EExtended strand (participates in β ladder)trans-113.6133.1177.7-55.9-171.6000111.1L298 L302 A326 A328 V332 W334 V353 L354 R355 L365L298-L308 HydrophobicContact CD1-CD1 3.48Å; L298-L308 VanDerWaalsContact CD1-CD1 3.48Å; L302-L308 HydrophobicContact CD1-CD1 4.38Å; L302-L308 HydrophobicContact CD2-CD1 4.35Å; L302-L308 HydrophobicContact CD2-CD2 4.1Å; L308-A326 PolarHBondContact N-O 2.72Å; L308-A326 PolarHBondContact O-N 3.01Å; L308-A328 HydrophobicContact CD1-CB 4.44Å; L308-A328 HydrophobicContact CD2-CB 4.33Å; L308-A328 HydrophobicContact CG-CB 3.97Å; L308-V332 HydrophobicContact CD1-CG2 4.13Å; L308-W334 HydrophobicContact CB-CZ2 4.14Å; L308-W334 PolarHBondContact O-NE1 2.94Å; L308-V353 HydrophobicContact CD1-CG1 4.38Å; L308-L354 VanDerWaalsContact CA-O 3.3Å; L308-L354 WeakPolarHBondContact CA-O 3.41Å; L308-R355 HydrophobicContact CD2-CB 3.81Å; L308-R355 HydrophobicContact CD2-CG 4.14Å; L308-L365 HydrophobicContact CD1-CD1 4.34Å; L308-L365 HydrophobicContact CD2-CD1 3.68Å
309C88.8Confident78.4Confident7 Ų757.8 Ų57.85%0.04731%0.313CS..EExtended strand (participates in β ladder)trans-121.3149.5170.761.50000110.7L354C309-L354 PolarHBondContact N-O 3.17Å; C309-L354 PolarHBondContact O-N 2.84Å
310C90.3Very high79.4Confident0 Ų061.7 Ų61.70%033%0.325CS..EExtended strand (participates in β ladder)trans-106126.5176.4-171.90000109.3L293 W322 T323 W334 K352L293-C310 HydrophobicContact CD2-CB 4.44Å; C310-W322 WeakPolarHBondContact O-CA 3.45Å; C310-T323 HydrophobicContact CB-CG2 3.93Å; C310-T323 PolarHBondContact N-OG1 3.42Å; C310-T323 PolarHBondContact O-N 3.13Å; C310-W334 HydrophobicContact CB-CD2 3.98Å; C310-W334 HydrophobicContact CB-CE3 3.89Å; C310-W334 HydrophobicContact CB-CH2 3.9Å; C310-W334 HydrophobicContact CB-CZ2 3.97Å; C310-W334 HydrophobicContact CB-CZ3 3.86Å; C310-K352 WeakPolarHBondContact CA-O 3.48Å
311V92.8Very high80.9Confident4 Ų457.8 Ų57.82%0.02430%0.301CS..EExtended strand (participates in β ladder)trans-106.7118.3176-171.40000109.1Q320 K321 W322 L351 K352 L354V311-Q320 HydrophobicContact CG1-CB 4.25Å; V311-K321 CarbonylContact C-O 3.43Å; V311-K321 WeakPolarHBondContact CA-O 3.11Å; V311-W322 HydrophobicContact CB-CD2 4.46Å; V311-W322 HydrophobicContact CG1-CD2 4.26Å; V311-W322 HydrophobicContact CG1-CG 4.34Å; V311-W322 HydrophobicContact CG1-CZ2 4.39Å; V311-W322 HydrophobicContact CG2-CD2 3.45Å; V311-W322 VanDerWaalsContact CG2-CD2 3.45Å; V311-W322 HydrophobicContact CG2-CE3 3.48Å; V311-W322 VanDerWaalsContact CG2-CE3 3.48Å; V311-W322 HydrophobicContact CG2-CG 4.02Å; V311-W322 HydrophobicContact CG2-CH2 4.01Å; V311-W322 HydrophobicContact CG2-CZ2 3.98Å; V311-W322 HydrophobicContact CG2-CZ3 3.78Å; V311-L351 CarbonylContact O-C 3.54Å; V311-L351 WeakPolarHBondContact O-CA 3.36Å; V311-K352 HydrophobicContact CB-CB 4.35Å; V311-K352 PolarHBondContact N-O 3.02Å; V311-K352 PolarHBondContact O-N 3.25Å; V311-L354 HydrophobicContact CG2-CD1 3.59Å; V311-L354 HydrophobicContact CG2-CG 4.07Å
312A93Very high82.3Confident0 Ų055.8 Ų55.80%029%0.286CS..EExtended strand (participates in β ladder)trans-98.2117.3174.600000110.1L290 Q320 K321 L338 L340 L349 L351L290-A312 HydrophobicContact CD1-CB 3.5Å; A312-Q320 CarbonylContact O-C 3.54Å; A312-Q320 WeakPolarHBondContact O-CA 3.4Å; A312-K321 PolarHBondContact N-O 3.19Å; A312-K321 PolarHBondContact O-N 3.33Å; A312-L338 HydrophobicContact CB-CD1 3.8Å; A312-L340 HydrophobicContact CB-CD1 4.29Å; A312-L349 HydrophobicContact CB-CD1 4.2Å; A312-L351 HydrophobicContact CB-CD2 3.68Å
313E92.4Very high83.6Confident35 Ų3555.1 Ų55.116%0.16428%0.283CS..EExtended strand (participates in β ladder)trans-118.4117.1-173.8178.6167.5-142.100111.4M318 Q319 Q320 L349 T350 K352E313-M318 HydrophobicContact CG-CE 4.49Å; E313-Q319 CarbonylContact C-O 3.54Å; E313-Q319 WeakPolarHBondContact CA-O 3.43Å; E313-Q320 HydrophobicContact CB-CG 4.04Å; E313-Q320 HydrophobicContact CG-CG 3.86Å; E313-Q320 PolarHBondContact OE1-NE2 2.99Å; E313-L349 CarbonylContact O-C 3.58Å; E313-L349 WeakPolarHBondContact O-CA 3.32Å; E313-T350 PolarHBondContact N-O 3.31Å; E313-T350 PolarHBondContact O-N 3.28Å; E313-K352 WeakPolarHBondContact OE2-CE 3.46Å; E313-K352 IonicContact OE2-NZ 3.61Å; E313-K352 PolarHBondContact OE2-NZ 3.46Å
314L90.7Very high85Confident0 Ų054.5 Ų54.50%028%0.278CS..EExtended strand (participates in β ladder)trans-95.3140.4176.8-171.568.1000111.3M318 Q319 L340 D341 L342 V372L314-M318 WeakPolarHBondContact O-CA 3.41Å; L314-M318 WeakPolarHBondContact O-CE 3.35Å; L314-Q319 HydrophobicContact CB-CB 4.37Å; L314-Q319 PolarHBondContact N-O 3.1Å; L314-Q319 PolarHBondContact O-N 2.93Å; L314-L340 HydrophobicContact CB-CD1 4.41Å; L314-L340 HydrophobicContact CD2-CB 4.48Å; L314-D341 WeakPolarHBondContact CD2-O 3.39Å; L314-L342 HydrophobicContact CD1-CD2 4.13Å; L314-L342 HydrophobicContact CD2-CD2 4.11Å; L314-V372 HydrophobicContact CD1-CG2 4.06Å
315D87.3Confident86.2Confident49 Ų4955.5 Ų55.526%0.26228%0.276SS..THydrogen-bonded Turntrans-69.4-43.3-178.670.8-43.5000114.8S346 R347 E348D315-S346 VanDerWaalsContact OD1-CA 3.27Å; D315-S346 WeakPolarHBondContact OD1-CA 3.47Å; D315-R347 VanDerWaalsContact CG-N 3.28Å; D315-R347 PolarHBondContact OD1-N 2.75Å; D315-R347 PolarHBondContact OD2-N 2.83Å; D315-E348 HydrophobicContact CB-CB 4.31Å; D315-E348 PolarHBondContact N-O 2.7Å; D315-E348 PolarHBondContact OD1-N 3.5Å; D315-E348 VanDerWaalsContact OD1-N 3.13Å
316N78.8Confident87.3Confident63 Ų6350.8 Ų50.834%0.33725%0.249SC..THydrogen-bonded Turntrans-154.1114.9-179-167-28.4000112.7G343 Q345 S346N316-G343 WeakPolarHBondContact O-CA 3.34Å; N316-G343 PolarHBondContact O-N 3.22Å; N316-Q345 HydrophobicContact CB-CB 4.35Å; N316-S346 WeakPolarHBondContact O-CA 3.32Å; N316-S346 WeakPolarHBondContact O-CB 3.28Å; N316-S346 PolarHBondContact O-N 3.19Å; N316-S346 PolarHBondContact O-OG 2.59Å
317P79.8Confident87.7Confident45 Ų4557.9 Ų57.929%0.29227%0.274SS..THydrogen-bonded Turncis-63.3148-328.5-35.8000111.5Q319 D341P317-Q319 HydrophobicContact CB-CG 4.39Å; P317-Q319 HydrophobicContact CG-CG 4.07Å; P317-Q319 PolarHBondContact O-N 3.41Å; P317-D341 WeakPolarHBondContact CD-O 3.48Å; P317-D341 WeakPolarHBondContact CG-O 3.27Å
318M84.3Confident87.3Confident139 Ų13953.9 Ų53.969%0.68526%0.257SS*.THydrogen-bonded Turntrans-60.9104.8172.3-69.1-103.862.900108.8E313 L314E313-M318 HydrophobicContact CG-CE 4.49Å; L314-M318 WeakPolarHBondContact O-CA 3.41Å; L314-M318 WeakPolarHBondContact O-CE 3.35Å
319Q87.2Confident86.8Confident43 Ų4354.5 Ų54.520%0.20126%0.263CS..EExtended strand (participates in β ladder)trans-133.3128.2179.5-71.8-168.3-8.500109E313 L314 P317 L340 D341E313-Q319 CarbonylContact C-O 3.54Å; E313-Q319 WeakPolarHBondContact CA-O 3.43Å; L314-Q319 HydrophobicContact CB-CB 4.37Å; L314-Q319 PolarHBondContact N-O 3.1Å; L314-Q319 PolarHBondContact O-N 2.93Å; P317-Q319 HydrophobicContact CB-CG 4.39Å; P317-Q319 HydrophobicContact CG-CG 4.07Å; P317-Q319 PolarHBondContact O-N 3.41Å; Q319-L340 HydrophobicContact CB-CD2 3.94Å; Q319-D341 PolarHBondContact NE2-OD2 3.03Å
320Q90.6Very high86.1Confident105 Ų10558 Ų5849%0.49129%0.285SS..EExtended strand (participates in β ladder)trans-114.1132.1169.3-68.5178.70.600109.2V311 A312 E313V311-Q320 HydrophobicContact CG1-CB 4.25Å; A312-Q320 CarbonylContact O-C 3.54Å; A312-Q320 WeakPolarHBondContact O-CA 3.4Å; E313-Q320 HydrophobicContact CB-CG 4.04Å; E313-Q320 HydrophobicContact CG-CG 3.86Å; E313-Q320 PolarHBondContact OE1-NE2 2.99Å
321K90.8Very high85.6Confident76 Ų7663 Ų6333%0.3331%0.309SS..EExtended strand (participates in β ladder)trans-131139.8172.6-69.1-165.5178-174.30110.8V311 A312 L338 A339 L340V311-K321 CarbonylContact C-O 3.43Å; V311-K321 WeakPolarHBondContact CA-O 3.11Å; A312-K321 PolarHBondContact N-O 3.19Å; A312-K321 PolarHBondContact O-N 3.33Å; K321-L338 HydrophobicContact CB-CD1 4.43Å; K321-L338 HydrophobicContact CB-CD2 4.41Å; K321-A339 VanDerWaalsContact CD-O 3.27Å; K321-A339 WeakPolarHBondContact CD-O 3.49Å; K321-A339 VanDerWaalsContact CE-O 3.28Å; K321-A339 WeakPolarHBondContact CE-O 3.23Å; K321-A339 PolarHBondContact NZ-O 3.13Å; K321-L340 HydrophobicContact CB-CD2 4.27Å; K321-L340 HydrophobicContact CD-CD2 4.03Å; K321-L340 HydrophobicContact CG-CD2 3.91Å
322W90.5Very high85.3Confident129 Ų12963.3 Ų63.349%0.48931%0.311SS..EExtended strand (participates in β ladder)trans-113.6134.1-170.8-6160.3000108.1C310 V311 L354C310-W322 WeakPolarHBondContact O-CA 3.45Å; V311-W322 HydrophobicContact CB-CD2 4.46Å; V311-W322 HydrophobicContact CG1-CD2 4.26Å; V311-W322 HydrophobicContact CG1-CG 4.34Å; V311-W322 HydrophobicContact CG1-CZ2 4.39Å; V311-W322 HydrophobicContact CG2-CD2 3.45Å; V311-W322 VanDerWaalsContact CG2-CD2 3.45Å; V311-W322 HydrophobicContact CG2-CE3 3.48Å; V311-W322 VanDerWaalsContact CG2-CE3 3.48Å; V311-W322 HydrophobicContact CG2-CG 4.02Å; V311-W322 HydrophobicContact CG2-CH2 4.01Å; V311-W322 HydrophobicContact CG2-CZ2 3.98Å; V311-W322 HydrophobicContact CG2-CZ3 3.78Å; W322-L354 HydrophobicContact CE3-CD1 4.44Å; W322-L354 HydrophobicContact CH2-CD1 3.59Å; W322-L354 HydrophobicContact CZ3-CD1 3.54Å
323T89.9Confident85.1Confident5 Ų567.2 Ų67.23%0.03133%0.329CS..PPolyproline II helixtrans-69.9158.716364.50000109.5C310 W334 L338C310-T323 HydrophobicContact CB-CG2 3.93Å; C310-T323 PolarHBondContact N-OG1 3.42Å; C310-T323 PolarHBondContact O-N 3.13Å; T323-W334 HydrophobicContact CG2-CB 3.75Å; T323-W334 HydrophobicContact CG2-CD2 4.38Å; T323-W334 HydrophobicContact CG2-CG 3.82Å; T323-W334 PolarHBondContact OG1-NE1 3.14Å; T323-L338 HydrophobicContact CG2-CD1 3.9Å; T323-L338 HydrophobicContact CG2-CD2 4.34Å; T323-L338 HydrophobicContact CG2-CG 4.21Å
324K86.9Confident85Confident137 Ų13766 Ų6660%0.59632%0.323SS*.PPolyproline II helixtrans-55.2149.9161.1-72.5-170.7-172.9890110.5E336K324-E336 WeakPolarHBondContact CB-OE2 3.42Å; K324-E336 WeakPolarHBondContact CG-OE2 3.35Å; K324-E336 PolarHBondContact N-OE2 2.95Å; K324-E336 IonicContact NZ-OE1 2.87Å; K324-E336 PolarHBondContact NZ-OE1 2.96Å
325P85.8Confident84.4Confident68 Ų6871.9 Ų71.944%0.44236%0.359SS..PPolyproline II helixtrans-57.2140.8168.1-20.632.3000110.9E307E307-P325 HydrophobicContact CB-CB 3.76Å; E307-P325 HydrophobicContact CG-CB 4.39Å; E307-P325 WeakPolarHBondContact OE2-CB 3.31Å
326A85.6Confident84.2Confident25 Ų2572.2 Ų72.221%0.20736%0.359CS..EExtended strand (participates in β ladder)trans-126.4147.7172.900000108.9E307 L308 A328 V332E307-A326 CarbonylContact C-O 3.55Å; E307-A326 WeakPolarHBondContact CA-O 3.38Å; L308-A326 PolarHBondContact N-O 2.72Å; L308-A326 PolarHBondContact O-N 3.01Å; A326-A328 PolarHBondContact O-N 2.75Å; A326-V332 HydrophobicContact CB-CG1 3.76Å
327R83.4Confident84.5Confident193 Ų19372.8 Ų72.873%0.72836%0.362SS*.EExtended strand (participates in β ladder)trans-55.5133-178.8-176.7178-65.8159.41.1111.1
328A77.8Confident85Confident9 Ų971.3 Ų71.37%0.07435%0.352CS..  trans-61.9146.8177.700000112.8L302 E306 L308 A326L302-A328 HydrophobicContact CB-CB 4.18Å; L302-A328 HydrophobicContact CD2-CB 4.08Å; E306-A328 HydrophobicContact CB-CB 3.83Å; E306-A328 WeakPolarHBondContact O-CB 3.28Å; E306-A328 PolarHBondContact O-N 3.23Å; L308-A328 HydrophobicContact CD1-CB 4.44Å; L308-A328 HydrophobicContact CD2-CB 4.33Å; L308-A328 HydrophobicContact CG-CB 3.97Å; A326-A328 PolarHBondContact O-N 2.75Å
329G76.8Confident85.2Confident12 Ų1266 Ų6612%0.12433%0.33CS..SBendtrans179.5174.2-179.900000112.3L302 E331L302-G329 WeakPolarHBondContact CD1-O 3.48Å; G329-E331 PolarHBondContact O-N 3.46Å
330P73.5Confident85.3Confident80 Ų8064 Ų6452%0.51932%0.321SS..SBendtrans-69.6-20.1-177.328.9-36000113.4S296 H297S296-P330 CarbonylContact C-O 3.56Å; H297-P330 PolarHBondContact N-O 2.92Å
331E80.7Confident85.2Confident107 Ų10761.8 Ų61.850%0.531%0.312SS..EExtended strand (participates in β ladder)trans-138.3132.4169.3-177173.3-147.400108.2R294 A295 G329R294-E331 VanDerWaalsContact CD-OE1 3.3Å; R294-E331 WeakPolarHBondContact CD-OE1 3.34Å; R294-E331 HydrophobicContact CG-CG 4.28Å; R294-E331 IonicContact CZ-OE1 3.49Å; R294-E331 IonicContact NE-OE1 3.88Å; R294-E331 IonicContact NH1-OE1 2.69Å; R294-E331 PolarHBondContact NH1-OE1 3.43Å; R294-E331 IonicContact NH1-OE2 3.95Å; A295-E331 CarbonylContact O-C 3.59Å; A295-E331 WeakPolarHBondContact O-CA 3.27Å; G329-E331 PolarHBondContact O-N 3.46Å
332V86.4Confident84.9Confident9 Ų959.5 Ų59.56%0.05530%0.304CS..EExtended strand (participates in β ladder)trans-135.7131.7-179.1176.30000108.9R294 A295 L308 A326 W334R294-V332 CarbonylContact C-O 3.53Å; R294-V332 VanDerWaalsContact CA-O 3.3Å; R294-V332 WeakPolarHBondContact CA-O 3.29Å; A295-V332 PolarHBondContact N-O 2.87Å; A295-V332 PolarHBondContact O-N 2.82Å; L308-V332 HydrophobicContact CD1-CG2 4.13Å; A326-V332 HydrophobicContact CB-CG1 3.76Å; V332-W334 HydrophobicContact CG1-CD2 4.36Å; V332-W334 HydrophobicContact CG1-CH2 4.28Å; V332-W334 HydrophobicContact CG1-CZ2 3.84Å
333E88.1Confident84.3Confident83 Ų8354.2 Ų54.239%0.38829%0.289SS..EExtended strand (participates in β ladder)trans-120.9129.7176.6-179.1171.1151.300110.2L293 R294L293-E333 WeakPolarHBondContact O-CA 3.08Å; R294-E333 HydrophobicContact CB-CB 4.36Å; R294-E333 HydrophobicContact CB-CG 4.38Å; R294-E333 HydrophobicContact CG-CB 4.29Å; R294-E333 IonicContact CZ-OE2 2.65Å; R294-E333 IonicContact NE-OE2 3.15Å; R294-E333 PolarHBondContact NE-OE2 2.9Å; R294-E333 IonicContact NH2-OE2 3.69Å; R294-E333 PolarHBondContact NH2-OE2 3.23Å
334W89.6Confident83.4Confident8 Ų859 Ų593%0.0332%0.321CS..EExtended strand (participates in β ladder)trans-100.9115.9172.4-56.8-85.5000108.7L293 A295 L308 C310 T323 V332 E336 V353 M401L293-W334 HydrophobicContact CB-CB 4.48Å; L293-W334 HydrophobicContact CB-CE3 3.97Å; L293-W334 PolarHBondContact O-N 2.82Å; A295-W334 HydrophobicContact CB-CH2 3.82Å; A295-W334 HydrophobicContact CB-CZ3 3.84Å; L308-W334 HydrophobicContact CB-CZ2 4.14Å; L308-W334 PolarHBondContact O-NE1 2.94Å; C310-W334 HydrophobicContact CB-CD2 3.98Å; C310-W334 HydrophobicContact CB-CE3 3.89Å; C310-W334 HydrophobicContact CB-CH2 3.9Å; C310-W334 HydrophobicContact CB-CZ2 3.97Å; C310-W334 HydrophobicContact CB-CZ3 3.86Å; T323-W334 HydrophobicContact CG2-CB 3.75Å; T323-W334 HydrophobicContact CG2-CD2 4.38Å; T323-W334 HydrophobicContact CG2-CG 3.82Å; T323-W334 PolarHBondContact OG1-NE1 3.14Å; V332-W334 HydrophobicContact CG1-CD2 4.36Å; V332-W334 HydrophobicContact CG1-CH2 4.28Å; V332-W334 HydrophobicContact CG1-CZ2 3.84Å; W334-E336 PolarHBondContact O-N 3.36Å; W334-V353 HydrophobicContact CH2-CG1 4.41Å; W334-V353 HydrophobicContact CH2-CG2 4.4Å; W334-M401 HydrophobicContact CH2-CE 4.26Å; W334-M401 HydrophobicContact CZ3-CE 3.86Å; W334-M401 HydrophobicContact CZ3-SD 4.31Å
335T78.5Confident82.8Confident124 Ų12457.8 Ų57.876%0.76132%0.317SS*.  trans-79.39.8-177.151.60000113.8
336E82.3Confident82.6Confident56 Ų5655.6 Ų55.626%0.26230%0.303SS..  trans-100.7127.1-174.6-57-166.5124.700111.8K324 W334 L338K324-E336 WeakPolarHBondContact CB-OE2 3.42Å; K324-E336 WeakPolarHBondContact CG-OE2 3.35Å; K324-E336 PolarHBondContact N-OE2 2.95Å; K324-E336 IonicContact NZ-OE1 2.87Å; K324-E336 PolarHBondContact NZ-OE1 2.96Å; W334-E336 PolarHBondContact O-N 3.36Å; E336-L338 PolarHBondContact O-N 2.98Å
337D86.1Confident82.4Confident75 Ų7560.6 Ų60.640%0.40132%0.317SS..  trans-78.9112.5175.5-68.6-40.5000110.7L290 R291L290-D337 CarbonylContact O-C 3.57Å; L290-D337 VanDerWaalsContact O-CA 3.3Å; L290-D337 WeakPolarHBondContact O-CA 3.22Å; R291-D337 WeakPolarHBondContact CA-OD1 3.32Å; R291-D337 WeakPolarHBondContact CB-OD1 3.28Å; R291-D337 WeakPolarHBondContact CG-OD1 3.41Å; R291-D337 IonicContact CZ-OD1 3.72Å; R291-D337 IonicContact CZ-OD2 2.78Å; R291-D337 VanDerWaalsContact CZ-OD2 3.29Å; R291-D337 IonicContact NE-OD1 3.72Å; R291-D337 PolarHBondContact NE-OD1 3.14Å; R291-D337 IonicContact NE-OD2 3.64Å; R291-D337 PolarHBondContact NE-OD2 2.96Å; R291-D337 VanDerWaalsContact NE-OD2 3.11Å; R291-D337 IonicContact NH2-OD1 2.71Å; R291-D337 IonicContact NH2-OD2 2.94Å; R291-D337 PolarHBondContact NH2-OD2 3.13Å
338L89.6Confident82.6Confident15 Ų1556.5 Ų56.58%0.07931%0.306CS..EExtended strand (participates in β ladder)trans-87.3116.3175.7-60.2-176.2000110.8L290 L293 A312 K321 T323 E336L290-L338 HydrophobicContact CB-CB 4.26Å; L290-L338 HydrophobicContact CD1-CB 4.46Å; L290-L338 PolarHBondContact N-O 2.84Å; L290-L338 PolarHBondContact O-N 2.89Å; L293-L338 HydrophobicContact CD2-CD1 4.28Å; A312-L338 HydrophobicContact CB-CD1 3.8Å; K321-L338 HydrophobicContact CB-CD1 4.43Å; K321-L338 HydrophobicContact CB-CD2 4.41Å; T323-L338 HydrophobicContact CG2-CD1 3.9Å; T323-L338 HydrophobicContact CG2-CD2 4.34Å; T323-L338 HydrophobicContact CG2-CG 4.21Å; E336-L338 PolarHBondContact O-N 2.98Å
339A90Very high83.2Confident28 Ų2856.1 Ų56.123%0.23130%0.302CS..EExtended strand (participates in β ladder)trans-98.8118.4178.700000112F289 K321F289-A339 HydrophobicContact CD1-CB 3.61Å; F289-A339 HydrophobicContact CE1-CB 3.5Å; F289-A339 HydrophobicContact CG-CB 4.49Å; F289-A339 HydrophobicContact CZ-CB 4.31Å; K321-A339 VanDerWaalsContact CD-O 3.27Å; K321-A339 WeakPolarHBondContact CD-O 3.49Å; K321-A339 VanDerWaalsContact CE-O 3.28Å; K321-A339 WeakPolarHBondContact CE-O 3.23Å; K321-A339 PolarHBondContact NZ-O 3.13Å
340L89.1Confident84Confident0 Ų056.5 Ų56.50%030%0.302CS..EExtended strand (participates in β ladder)trans-109.7141176.1-64.3164.7000110R287 L288 L290 A312 L314 Q319 K321 L349R287-L340 VanDerWaalsContact CA-O 3.32Å; R287-L340 WeakPolarHBondContact CA-O 3.44Å; L288-L340 PolarHBondContact N-O 2.94Å; L288-L340 PolarHBondContact O-N 2.92Å; L290-L340 HydrophobicContact CD1-CD1 3.93Å; A312-L340 HydrophobicContact CB-CD1 4.29Å; L314-L340 HydrophobicContact CB-CD1 4.41Å; L314-L340 HydrophobicContact CD2-CB 4.48Å; Q319-L340 HydrophobicContact CB-CD2 3.94Å; K321-L340 HydrophobicContact CB-CD2 4.27Å; K321-L340 HydrophobicContact CD-CD2 4.03Å; K321-L340 HydrophobicContact CG-CD2 3.91Å; L340-L349 HydrophobicContact CD1-CD1 3.69Å
341D88Confident84.9Confident58 Ų5852.7 Ų52.731%0.3128%0.278SS..EExtended strand (participates in β ladder)trans-89.8123.9177.1-57.2-76.7000109.8R287 L314 P317 Q319R287-D341 IonicContact CZ-OD1 2.97Å; R287-D341 IonicContact NE-OD1 3.43Å; R287-D341 PolarHBondContact NE-OD1 3.19Å; R287-D341 IonicContact NH2-OD1 2.59Å; R287-D341 PolarHBondContact NH2-OD1 3.42Å; L314-D341 WeakPolarHBondContact CD2-O 3.39Å; P317-D341 WeakPolarHBondContact CD-O 3.48Å; P317-D341 WeakPolarHBondContact CG-O 3.27Å; Q319-D341 PolarHBondContact NE2-OD2 3.03Å
342L83.8Confident85.4Confident29 Ų2950.1 Ų50.115%0.15227%0.265CS..PPolyproline II helixtrans-85.5124.2-173.8-68.7179.9000111.8P285 T286 L288 L314 V372 Y407P285-L342 HydrophobicContact CB-CD1 4.17Å; P285-L342 HydrophobicContact CG-CD1 3.96Å; P285-L342 WeakPolarHBondContact O-CB 3.43Å; T286-L342 PolarHBondContact O-N 2.86Å; L288-L342 HydrophobicContact CB-CD1 4.04Å; L288-L342 HydrophobicContact CB-CD2 3.87Å; L288-L342 HydrophobicContact CB-CG 3.93Å; L288-L342 HydrophobicContact CD2-CD2 4.35Å; L314-L342 HydrophobicContact CD1-CD2 4.13Å; L314-L342 HydrophobicContact CD2-CD2 4.11Å; L342-V372 HydrophobicContact CD2-CG1 3.91Å; L342-Y407 HydrophobicContact CD1-CD1 3.82Å; L342-Y407 HydrophobicContact CD1-CE1 4Å
343G78.9Confident85.6Confident18 Ų1849.7 Ų49.719%0.18626%0.262CS..PPolyproline II helixtrans-82.4161.8173.900000112.8N316 Q345 S346N316-G343 WeakPolarHBondContact O-CA 3.34Å; N316-G343 PolarHBondContact O-N 3.22Å; G343-Q345 PolarHBondContact O-N 3.09Å; G343-S346 PolarHBondContact N-OG 2.64Å; G343-S346 PolarHBondContact O-N 3.06Å; G343-S346 PolarHBondContact O-OG 2.9Å; G343-S346 VanDerWaalsContact O-OG 3.14Å
344P69.9Low85.7Confident106 Ų10646.6 Ų46.669%0.68825%0.248SC*.THydrogen-bonded Turntrans-67.9-1.6177.230.8-36.9000113.9
345Q74.6Confident85.5Confident111 Ų11147.7 Ų47.752%0.51925%0.252SS..THydrogen-bonded Turntrans-126.57.9177.3-57.8-165.126.400113.9N316 G343N316-Q345 HydrophobicContact CB-CB 4.35Å; G343-Q345 PolarHBondContact O-N 3.09Å
346S82.8Confident85.6Confident21 Ų2143.2 Ų43.215%0.14723%0.226CC..  trans-56.9138.2176.5-47.20000111.1D315 N316 G343D315-S346 VanDerWaalsContact OD1-CA 3.27Å; D315-S346 WeakPolarHBondContact OD1-CA 3.47Å; N316-S346 WeakPolarHBondContact O-CA 3.32Å; N316-S346 WeakPolarHBondContact O-CB 3.28Å; N316-S346 PolarHBondContact O-N 3.19Å; N316-S346 PolarHBondContact O-OG 2.59Å; G343-S346 PolarHBondContact N-OG 2.64Å; G343-S346 PolarHBondContact O-N 3.06Å; G343-S346 PolarHBondContact O-OG 2.9Å; G343-S346 VanDerWaalsContact O-OG 3.14Å
347R80.4Confident85.1Confident131 Ų13142.5 Ų42.549%0.49423%0.227SC..  trans-141.1-29.1177.1-59.9177.4-147.715815.2113.3D315 P371 V372D315-R347 VanDerWaalsContact CG-N 3.28Å; D315-R347 PolarHBondContact OD1-N 2.75Å; D315-R347 PolarHBondContact OD2-N 2.83Å; R347-P371 CarbonylContact O-C 3.5Å; R347-P371 WeakPolarHBondContact O-CA 3.43Å; R347-V372 PolarHBondContact O-N 3.43Å
348E88.5Confident84.1Confident107 Ų10745.2 Ų45.250%0.525%0.252SS..EExtended strand (participates in β ladder)trans-138.9132.5-167.1-71178.5-151.900111.3D315 T369D315-E348 HydrophobicContact CB-CB 4.31Å; D315-E348 PolarHBondContact N-O 2.7Å; D315-E348 PolarHBondContact OD1-N 3.5Å; D315-E348 VanDerWaalsContact OD1-N 3.13Å; E348-T369 HydrophobicContact CB-CG2 4.13Å; E348-T369 HydrophobicContact CG-CG2 4.35Å
349L90.4Very high82.8Confident0 Ų049.7 Ų49.70%028%0.283CS..EExtended strand (participates in β ladder)trans-119115.2175.516766.4000107.7L288 L290 A312 E313 L340 L351 L370 V372 L405L288-L349 HydrophobicContact CD2-CD2 4.05Å; L290-L349 HydrophobicContact CD1-CD1 4.11Å; L290-L349 HydrophobicContact CD1-CD2 3.85Å; L290-L349 HydrophobicContact CD2-CD2 3.5Å; L290-L349 VanDerWaalsContact CD2-CD2 3.5Å; L290-L349 HydrophobicContact CG-CD2 4.31Å; A312-L349 HydrophobicContact CB-CD1 4.2Å; E313-L349 CarbonylContact O-C 3.58Å; E313-L349 WeakPolarHBondContact O-CA 3.32Å; L340-L349 HydrophobicContact CD1-CD1 3.69Å; L349-L351 HydrophobicContact CD1-CD2 4.13Å; L349-L351 HydrophobicContact CD2-CD2 4.3Å; L349-L351 HydrophobicContact CG-CD2 4.13Å; L349-L370 HydrophobicContact CB-CB 4.45Å; L349-L370 HydrophobicContact CD2-CD1 4.21Å; L349-L370 PolarHBondContact N-O 2.98Å; L349-L370 PolarHBondContact O-N 3.11Å; L349-V372 HydrophobicContact CB-CG2 3.7Å; L349-L405 HydrophobicContact CD2-CD2 4.32Å
350T92.3Very high81.5Confident21 Ų2151 Ų5113%0.12930%0.3CS..EExtended strand (participates in β ladder)trans-99.2126174.2-59.80000109.9E313 K352 Q367 T369E313-T350 PolarHBondContact N-O 3.31Å; E313-T350 PolarHBondContact O-N 3.28Å; T350-K352 HydrophobicContact CG2-CG 4.11Å; T350-Q367 HydrophobicContact CG2-CB 4.33Å; T350-T369 WeakPolarHBondContact OG1-CG2 3.3Å; T350-T369 PolarHBondContact OG1-OG1 3.29Å
351L92.8Very high80.7Confident0 Ų056.5 Ų56.50%033%0.329CS..EExtended strand (participates in β ladder)trans-100.1125170.6-57.7-175000108.7L290 V311 A312 L349 Q367 A368 L370 M401 V403L290-L351 HydrophobicContact CD1-CD2 4.07Å; V311-L351 CarbonylContact O-C 3.54Å; V311-L351 WeakPolarHBondContact O-CA 3.36Å; A312-L351 HydrophobicContact CB-CD2 3.68Å; L349-L351 HydrophobicContact CD1-CD2 4.13Å; L349-L351 HydrophobicContact CD2-CD2 4.3Å; L349-L351 HydrophobicContact CG-CD2 4.13Å; L351-Q367 CarbonylContact O-C 3.59Å; L351-Q367 VanDerWaalsContact O-CA 3.23Å; L351-Q367 WeakPolarHBondContact O-CA 3.22Å; L351-A368 PolarHBondContact N-O 3.35Å; L351-A368 PolarHBondContact O-N 2.92Å; L351-L370 HydrophobicContact CD1-CD1 3.78Å; L351-L370 HydrophobicContact CG-CD1 4.08Å; L351-M401 HydrophobicContact CB-CG 4.37Å; L351-M401 HydrophobicContact CD1-CG 3.62Å; L351-M401 HydrophobicContact CD1-SD 4.38Å; L351-V403 HydrophobicContact CD1-CB 4.19Å; L351-V403 HydrophobicContact CD1-CG1 3.84Å
352K91.7Very high80.2Confident52 Ų5257.2 Ų57.223%0.22634%0.336CS..EExtended strand (participates in β ladder)trans-116.9127.4178.5-68.8168.7174166.50109.4C310 V311 E313 T350 L354 L364 Q367C310-K352 WeakPolarHBondContact CA-O 3.48Å; V311-K352 HydrophobicContact CB-CB 4.35Å; V311-K352 PolarHBondContact N-O 3.02Å; V311-K352 PolarHBondContact O-N 3.25Å; E313-K352 WeakPolarHBondContact OE2-CE 3.46Å; E313-K352 IonicContact OE2-NZ 3.61Å; E313-K352 PolarHBondContact OE2-NZ 3.46Å; T350-K352 HydrophobicContact CG2-CG 4.11Å; K352-L354 HydrophobicContact CB-CD2 4.43Å; K352-L364 HydrophobicContact CB-CD1 3.89Å; K352-L364 HydrophobicContact CG-CD1 4.11Å; K352-Q367 HydrophobicContact CG-CB 3.94Å
353V90.8Very high80.2Confident0 Ų059.8 Ų59.80%035%0.347CS..EExtended strand (participates in β ladder)trans-92.5115.4170-176.90000108A295 L298 L308 W334 L365 G366 L387 M401A295-V353 HydrophobicContact CB-CG2 4.31Å; L298-V353 HydrophobicContact CD1-CG1 4.34Å; L308-V353 HydrophobicContact CD1-CG1 4.38Å; W334-V353 HydrophobicContact CH2-CG1 4.41Å; W334-V353 HydrophobicContact CH2-CG2 4.4Å; V353-L365 HydrophobicContact CG1-CB 4.48Å; V353-L365 HydrophobicContact CG1-CD1 4.33Å; V353-L365 PolarHBondContact O-N 3.18Å; V353-G366 PolarHBondContact N-O 3.18Å; V353-L387 HydrophobicContact CG2-CD1 4.03Å; V353-L387 HydrophobicContact CG2-CD2 4.15Å; V353-M401 HydrophobicContact CG2-CE 3.32Å
354L88.7Confident80.5Confident18 Ų1861.4 Ų61.49%0.09435%0.351CS..EExtended strand (participates in β ladder)trans-105.7143.5176.2-54.1-176.7000110.5L308 C309 V311 W322 K352 E363 L364L308-L354 VanDerWaalsContact CA-O 3.3Å; L308-L354 WeakPolarHBondContact CA-O 3.41Å; C309-L354 PolarHBondContact N-O 3.17Å; C309-L354 PolarHBondContact O-N 2.84Å; V311-L354 HydrophobicContact CG2-CD1 3.59Å; V311-L354 HydrophobicContact CG2-CG 4.07Å; W322-L354 HydrophobicContact CE3-CD1 4.44Å; W322-L354 HydrophobicContact CH2-CD1 3.59Å; W322-L354 HydrophobicContact CZ3-CD1 3.54Å; K352-L354 HydrophobicContact CB-CD2 4.43Å; L354-E363 CarbonylContact C-O 3.53Å; L354-E363 VanDerWaalsContact CA-O 3.22Å; L354-E363 WeakPolarHBondContact CA-O 3.2Å; L354-L364 HydrophobicContact CD2-CB 3.95Å; L354-L364 HydrophobicContact CD2-CD1 3.74Å; L354-L364 HydrophobicContact CD2-CG 4.47Å
355R85.4Confident81.1Confident31 Ų3156.9 Ų56.912%0.11732%0.321CS..EExtended strand (participates in β ladder)trans-98.9118169.6176.6-169.9-75.2-148.65.4108.2E301 E306 L308 T362 E363 L365E301-R355 PolarHBondContact O-NH2 3.32Å; E306-R355 VanDerWaalsContact OE1-CD 3.31Å; E306-R355 WeakPolarHBondContact OE1-CD 3.44Å; E306-R355 IonicContact OE1-CZ 2.71Å; E306-R355 IonicContact OE1-NE 2.76Å; E306-R355 IonicContact OE1-NH1 3.18Å; E306-R355 PolarHBondContact OE1-NH1 2.76Å; E306-R355 IonicContact OE2-CZ 3.6Å; E306-R355 IonicContact OE2-NE 2.71Å; E306-R355 PolarHBondContact OE2-NE 2.95Å; E306-R355 IonicContact OE2-NH1 3.8Å; E306-R355 PolarHBondContact OE2-NH1 3.42Å; E306-R355 IonicContact OE2-NH2 3.71Å; L308-R355 HydrophobicContact CD2-CB 3.81Å; L308-R355 HydrophobicContact CD2-CG 4.14Å; R355-T362 CarbonylContact O-C 3.56Å; R355-T362 VanDerWaalsContact O-CA 3.31Å; R355-T362 WeakPolarHBondContact O-CA 3.3Å; R355-E363 HydrophobicContact CB-CB 4.43Å; R355-E363 PolarHBondContact N-O 2.8Å; R355-E363 PolarHBondContact O-N 2.88Å; R355-L365 HydrophobicContact CB-CD1 3.99Å; R355-L365 HydrophobicContact CB-CD2 4.06Å; R355-L365 HydrophobicContact CB-CG 3.9Å
356S81.3Confident81.7Confident31 Ų3151.6 Ų51.622%0.21730%0.297CS..EExtended strand (participates in β ladder)trans-89.1122.3170-164.90000109.3E307E307-S356 PolarHBondContact N-O 2.9Å; E307-S356 PolarHBondContact O-N 2.77Å
357S72.5Confident82.1Confident41 Ų4154 Ų5429%0.28731%0.305SS..PPolyproline II helixtrans-80.8161.3169.470.20000111.1C359 G360 D361S357-C359 PolarHBondContact O-N 2.91Å; S357-C359 PolarHBondContact OG-N 2.82Å; S357-G360 PolarHBondContact O-N 2.83Å; S357-G360 PolarHBondContact OG-N 2.87Å; S357-D361 PolarHBondContact N-O 2.83Å; S357-D361 PolarHBondContact OG-N 3Å; S357-D361 PolarHBondContact OG-O 2.86Å
358S63.4Low82.5Confident132 Ų13248 Ų4892%0.92328%0.284SS*.THydrogen-bonded Turntrans-67.8-9.5170.553.10000113.9
359C62.8Low82.5Confident108 Ų10846.1 Ų46.173%0.7328%0.28SS*.THydrogen-bonded Turntrans-86.5-11.7174.4-153.40000112.6S357S357-C359 PolarHBondContact O-N 2.91Å; S357-C359 PolarHBondContact OG-N 2.82Å
360G63Low82.4Confident56 Ų5646.3 Ų46.358%0.57728%0.281SS*.SBendtrans95.6-11.9-176.300000114.7S357S357-G360 PolarHBondContact O-N 2.83Å; S357-G360 PolarHBondContact OG-N 2.87Å
361D71.9Confident82Confident115 Ų11548.8 Ų48.862%0.61530%0.297SS*.  trans-67.1138.6172.5-69.9-45.6000111.1S357S357-D361 PolarHBondContact N-O 2.83Å; S357-D361 PolarHBondContact OG-N 3Å; S357-D361 PolarHBondContact OG-O 2.86Å
362T79.2Confident81.4Confident74 Ų7449.5 Ų49.545%0.45430%0.301SS..EExtended strand (participates in β ladder)trans-118114.8179.546.30000111.7R355R355-T362 CarbonylContact O-C 3.56Å; R355-T362 VanDerWaalsContact O-CA 3.31Å; R355-T362 WeakPolarHBondContact O-CA 3.3Å
363E83Confident80.1Confident82 Ų8248.9 Ų48.938%0.38331%0.31SS..EExtended strand (participates in β ladder)trans-98.1141.4179.8-65.7-175.3155.200111.8L354 R355 L365 K393L354-E363 CarbonylContact C-O 3.53Å; L354-E363 VanDerWaalsContact CA-O 3.22Å; L354-E363 WeakPolarHBondContact CA-O 3.2Å; R355-E363 HydrophobicContact CB-CB 4.43Å; R355-E363 PolarHBondContact N-O 2.8Å; R355-E363 PolarHBondContact O-N 2.88Å; E363-L365 PolarHBondContact O-N 3.46Å; E363-K393 IonicContact OE1-NZ 3.18Å; E363-K393 PolarHBondContact OE1-NZ 2.82Å; E363-K393 IonicContact OE2-NZ 3.63Å; E363-K393 PolarHBondContact OE2-NZ 3.41Å
364L84.4Confident78.4Confident53 Ų5353.9 Ų53.928%0.27735%0.345SS..EExtended strand (participates in β ladder)trans-81111.9171.5175.764.1000110.8K352 L354 G366K352-L364 HydrophobicContact CB-CD1 3.89Å; K352-L364 HydrophobicContact CG-CD1 4.11Å; L354-L364 HydrophobicContact CD2-CB 3.95Å; L354-L364 HydrophobicContact CD2-CD1 3.74Å; L354-L364 HydrophobicContact CD2-CG 4.47Å; L364-G366 WeakPolarHBondContact CD1-O 3.17Å
365L83Confident76.7Confident11 Ų1155.5 Ų55.56%0.05836%0.356CS..EExtended strand (participates in β ladder)trans-79.2-42.3173.7-63.5-176.3000111.9L302 L308 V353 R355 E363 G390 L395L302-L365 HydrophobicContact CD2-CD1 4.12Å; L308-L365 HydrophobicContact CD1-CD1 4.34Å; L308-L365 HydrophobicContact CD2-CD1 3.68Å; V353-L365 HydrophobicContact CG1-CB 4.48Å; V353-L365 HydrophobicContact CG1-CD1 4.33Å; V353-L365 PolarHBondContact O-N 3.18Å; R355-L365 HydrophobicContact CB-CD1 3.99Å; R355-L365 HydrophobicContact CB-CD2 4.06Å; R355-L365 HydrophobicContact CB-CG 3.9Å; E363-L365 PolarHBondContact O-N 3.46Å; L365-G390 PolarHBondContact O-N 3.11Å; L365-L395 HydrophobicContact CB-CD1 4.12Å
366G86.9Confident75Confident0 Ų058.5 Ų58.50%038%0.383CS..EExtended strand (participates in β ladder)trans-176.9166175.100000114.1V353 L364 T388V353-G366 PolarHBondContact N-O 3.18Å; L364-G366 WeakPolarHBondContact CD1-O 3.17Å; G366-T388 CarbonylContact C-O 3.6Å; G366-T388 WeakPolarHBondContact CA-O 3.49Å
367Q90.6Very high73.7Confident71 Ų7167.4 Ų67.433%0.33241%0.411SS..EExtended strand (participates in β ladder)trans-137.8150.2-175.665179.529.100113.1T350 L351 K352 T388T350-Q367 HydrophobicContact CG2-CB 4.33Å; L351-Q367 CarbonylContact O-C 3.59Å; L351-Q367 VanDerWaalsContact O-CA 3.23Å; L351-Q367 WeakPolarHBondContact O-CA 3.22Å; K352-Q367 HydrophobicContact CG-CB 3.94Å; Q367-T388 PolarHBondContact N-O 2.95Å; Q367-T388 WeakPolarHBondContact O-CB 3.42Å; Q367-T388 PolarHBondContact O-N 2.82Å
368A90.3Very high72.8Confident5 Ų570.5 Ų70.54%0.04143%0.43CS..EExtended strand (participates in β ladder)trans-137.2125.4173.400000110.2L351 C385 L387L351-A368 PolarHBondContact N-O 3.35Å; L351-A368 PolarHBondContact O-N 2.92Å; A368-C385 HydrophobicContact CB-CB 4.15Å; A368-L387 HydrophobicContact CB-CD2 4.12Å
369T88.8Confident73Confident68 Ų6866.9 Ų66.942%0.41740%0.4SS..EExtended strand (participates in β ladder)trans-99.6131.6177.6-55.90000110.6E348 T350E348-T369 HydrophobicContact CB-CG2 4.13Å; E348-T369 HydrophobicContact CG-CG2 4.35Å; T350-T369 WeakPolarHBondContact OG1-CG2 3.3Å; T350-T369 PolarHBondContact OG1-OG1 3.29Å
370L88.3Confident73.6Confident3 Ų363.8 Ų63.82%0.01638%0.38CS..EExtended strand (participates in β ladder)trans-121129.3-171-46.9179.6000109.4L349 L351 V372 Q383 C385 V403 L405L349-L370 HydrophobicContact CB-CB 4.45Å; L349-L370 HydrophobicContact CD2-CD1 4.21Å; L349-L370 PolarHBondContact N-O 2.98Å; L349-L370 PolarHBondContact O-N 3.11Å; L351-L370 HydrophobicContact CD1-CD1 3.78Å; L351-L370 HydrophobicContact CG-CD1 4.08Å; L370-V372 PolarHBondContact O-N 2.76Å; L370-Q383 HydrophobicContact CD2-CG 4.45Å; L370-C385 HydrophobicContact CD2-CB 3.87Å; L370-C385 WeakPolarHBondContact CD2-SG 3.46Å; L370-V403 HydrophobicContact CD1-CG1 3.78Å; L370-L405 HydrophobicContact CD1-CD1 4.42Å
371P83.9Confident74.5Confident73 Ų7366.7 Ų66.747%0.47437%0.373SS..EExtended strand (participates in β ladder)trans-73120.6175.728.1-33000110.9R347 G373R347-P371 CarbonylContact O-C 3.5Å; R347-P371 WeakPolarHBondContact O-CA 3.43Å; P371-G373 PolarHBondContact O-N 2.83Å
372V79.4Confident75.1Confident15 Ų1570 Ų709%0.09138%0.377CS..  trans-75.978.2170.8-1740000108L314 L342 R347 L349 L370 Y407L314-V372 HydrophobicContact CD1-CG2 4.06Å; L342-V372 HydrophobicContact CD2-CG1 3.91Å; R347-V372 PolarHBondContact O-N 3.43Å; L349-V372 HydrophobicContact CB-CG2 3.7Å; L370-V372 PolarHBondContact O-N 2.76Å; V372-Y407 HydrophobicContact CG1-CE1 4.03Å
373G63.9Low75.3Confident40 Ų4067.6 Ų67.641%0.41236%0.361SS..  trans-63.4156.6-175.300000113.5P371P371-G373 PolarHBondContact O-N 2.83Å
374S55.8Low75.5Confident104 Ų10467.7 Ų67.773%0.72737%0.367SS*.  trans-59.5145.5168.955.70000110.6S376S374-S376 VanDerWaalsContact C-N 3.25Å; S374-S376 PolarHBondContact O-N 2.82Å
375P52.4Low75.6Confident52 Ų5266.2 Ų66.234%0.33836%0.361SS..  trans-74.767.5-169.433.5-41.7000113.3P285 R377 L379P285-P375 HydrophobicContact CG-CB 4.15Å; P285-P375 HydrophobicContact CG-CG 4.28Å; P375-R377 PolarHBondContact O-N 2.86Å; P375-L379 HydrophobicContact CB-CD2 4.09Å
376S49.4Very low75.9Confident95 Ų9570.3 Ų70.366%0.66439%0.388SS*.PPolyproline II helixtrans-70.1119.7162.358.80000109S374S374-S376 VanDerWaalsContact C-N 3.25Å; S374-S376 PolarHBondContact O-N 2.82Å
377R54.8Low75.9Confident218 Ų21870.9 Ų70.982%0.82339%0.391SS*.SBendtrans-50.9136.9178.6-67.2178.5173.3-175.3-3.6110.9P375P375-R377 PolarHBondContact O-N 2.86Å
378P53.5Low75.6Confident105 Ų10571.7 Ų71.768%0.68240%0.401SS*.PPolyproline II helixcis-78.7159.111.232.5-37.3000115.4S380P378-S380 VanDerWaalsContact C-N 3.33Å
379L67.2Low75.1Confident56 Ų5674.8 Ų74.829%0.29342%0.421SS..SBendtrans-84-0.1178-68.1174000114.2P375 Y407P375-L379 HydrophobicContact CB-CD2 4.09Å; L379-Y407 PolarHBondContact O-N 2.85Å
380S77.2Confident74.4Confident43 Ų4372 Ų7230%0.30141%0.405SS..EExtended strand (participates in β ladder)trans-117.8140.2164167.40000109.8P378 E404 L405P378-S380 VanDerWaalsContact C-N 3.33Å; S380-E404 WeakPolarHBondContact OG-CG 3.31Å; S380-E404 PolarHBondContact OG-OE1 2.79Å; S380-L405 CarbonylContact C-O 3.6Å; S380-L405 WeakPolarHBondContact CA-O 3.48Å
381R81.7Confident73.2Confident117 Ų11778 Ų7844%0.44245%0.445SS..EExtended strand (participates in β ladder)trans-141.3110.5176-179.6-179.2177.9-133.4-7.3109.9L405R381-L405 PolarHBondContact N-O 2.9Å; R381-L405 PolarHBondContact O-N 2.59Å
382R83.6Confident72.1Confident184 Ų18478.4 Ų78.469%0.69446%0.462SS*.EExtended strand (participates in β ladder)trans-74.5131.7164.3-161.6174.872.3-174.54.6110V403 E404R382-V403 CarbonylContact C-O 3.56Å; R382-V403 WeakPolarHBondContact CA-O 3.47Å; R382-E404 HydrophobicContact CG-CB 4.48Å
383Q83.6Confident71.2Confident24 Ų2482.7 Ų82.711%0.11248%0.479CS..EExtended strand (participates in β ladder)trans-130.8140.7178.9-177164.7-14.800109.2L370 C385 A402 V403 L405L370-Q383 HydrophobicContact CD2-CG 4.45Å; Q383-C385 PolarHBondContact NE2-SG 2.86Å; Q383-A402 WeakPolarHBondContact O-CA 3.17Å; Q383-V403 PolarHBondContact N-O 2.9Å; Q383-V403 PolarHBondContact O-N 2.65Å; Q383-L405 HydrophobicContact CB-CD1 4.19Å
384V87.6Confident70.9Confident84 Ų8485.6 Ų85.651%0.50950%0.5SS..EExtended strand (participates in β ladder)trans-123.2132.1171.3-173.50000106.8T400 M401 A402V384-T400 HydrophobicContact CG1-CG2 4.36Å; V384-M401 CarbonylContact C-O 3.6Å; V384-M401 WeakPolarHBondContact CA-O 3.42Å; V384-A402 HydrophobicContact CG1-CB 4.42Å; V384-A402 HydrophobicContact CG2-CB 3.91Å
385C86.4Confident71.4Confident22 Ų2282 Ų8215%0.14947%0.472CS..EExtended strand (participates in β ladder)trans-136.9146.5-178-770000111.4A368 L370 Q383 T400 M401A368-C385 HydrophobicContact CB-CB 4.15Å; L370-C385 HydrophobicContact CD2-CB 3.87Å; L370-C385 WeakPolarHBondContact CD2-SG 3.46Å; Q383-C385 PolarHBondContact NE2-SG 2.86Å; C385-T400 CarbonylContact O-C 3.59Å; C385-T400 VanDerWaalsContact O-CA 3.27Å; C385-T400 WeakPolarHBondContact O-CA 3.43Å; C385-T400 WeakPolarHBondContact O-CB 3.13Å; C385-M401 PolarHBondContact N-O 2.85Å; C385-M401 PolarHBondContact O-N 3.15Å
386P88Confident72.1Confident97 Ų9780.3 Ų80.363%0.6347%0.465SS*.EExtended strand (participates in β ladder)trans-65.5141.8172.729.9-34.6000110.2A399P386-A399 WeakPolarHBondContact CA-O 3.36Å
387L86.8Confident72.8Confident13 Ų1383 Ų837%0.06848%0.479CS..PPolyproline II helixtrans-85.3122.9171.4-74.5165.4000109.2L298 V353 A368 L395 A399 M401L298-L387 HydrophobicContact CD2-CD1 3.6Å; V353-L387 HydrophobicContact CG2-CD1 4.03Å; V353-L387 HydrophobicContact CG2-CD2 4.15Å; A368-L387 HydrophobicContact CB-CD2 4.12Å; L387-L395 HydrophobicContact CB-CD2 3.49Å; L387-L395 VanDerWaalsContact CB-CD2 3.49Å; L387-L395 HydrophobicContact CD1-CD2 4.28Å; L387-A399 HydrophobicContact CB-CB 4.28Å; L387-A399 PolarHBondContact N-O 2.89Å; L387-M401 HydrophobicContact CD1-CB 4.41Å; L387-M401 HydrophobicContact CD2-CB 3.98Å; L387-M401 HydrophobicContact CG-CB 4.11Å
388T84.6Confident73.6Confident87 Ų8775.5 Ų75.553%0.53446%0.464SS..EExtended strand (participates in β ladder)trans-75.3127.9168.7-54.80000108G366 Q367G366-T388 CarbonylContact C-O 3.6Å; G366-T388 WeakPolarHBondContact CA-O 3.49Å; Q367-T388 PolarHBondContact N-O 2.95Å; Q367-T388 WeakPolarHBondContact O-CB 3.42Å; Q367-T388 PolarHBondContact O-N 2.82Å
389P81Confident75Confident71 Ų7170.7 Ų70.746%0.46143%0.434SS..EExtended strand (participates in β ladder)trans-62.2147.2-177.725.1-34.7000112.3L395P389-L395 HydrophobicContact CB-CB 3.89Å
390G73.2Confident76Confident9 Ų969.8 Ų69.89%0.09343%0.43CS..PPolyproline II helixtrans-71.3164.3171.300000113.1L365 G392L365-G390 PolarHBondContact O-N 3.11Å; G390-G392 PolarHBondContact O-N 2.81Å; G390-G392 VanDerWaalsContact O-N 3.15Å
391P64.3Low76.7Confident130 Ų13067.8 Ų67.884%0.84442%0.416SS*.THydrogen-bonded Turntrans-66114.417927.6-33.7000111.1
392G58.9Low77Confident81 Ų8163.2 Ų63.284%0.83540%0.403SS*.THydrogen-bonded Turntrans113.2-11.7168.400000116.9G390G390-G392 PolarHBondContact O-N 2.81Å; G390-G392 VanDerWaalsContact O-N 3.15Å
393K62.2Low77.4Confident104 Ų10454.5 Ų54.545%0.45237%0.371SS..SBendtrans-132.8145.2177-74.2178.3-179.5168.30112.1E363E363-K393 IonicContact OE1-NZ 3.18Å; E363-K393 PolarHBondContact OE1-NZ 2.82Å; E363-K393 IonicContact OE2-NZ 3.63Å; E363-K393 PolarHBondContact OE2-NZ 3.41Å
394A56.4Low77.7Confident102 Ų10255.4 Ų55.484%0.84338%0.375SS*.  trans-86110.1176.300000110.2
395L67.3Low77.8Confident27 Ų2751.4 Ų51.414%0.14135%0.35CS..  trans-73.5153.5172.2-158.267.9000110.1L298 L365 L387 P389 A399L298-L395 HydrophobicContact CD2-CD1 4.2Å; L298-L395 WeakPolarHBondContact O-CD1 3.01Å; L365-L395 HydrophobicContact CB-CD1 4.12Å; L387-L395 HydrophobicContact CB-CD2 3.49Å; L387-L395 VanDerWaalsContact CB-CD2 3.49Å; L387-L395 HydrophobicContact CD1-CD2 4.28Å; P389-L395 HydrophobicContact CB-CB 3.89Å; L395-A399 HydrophobicContact CD2-CB 3.49Å; L395-A399 VanDerWaalsContact CD2-CB 3.49Å; L395-A399 HydrophobicContact CG-CB 3.61Å
396G66.1Low77.8Confident18 Ų1853.7 Ų53.719%0.18636%0.359CS..  trans-54.5140.2-179.500000112.7A398 A399G396-A398 PolarHBondContact O-N 2.94Å; G396-A399 VanDerWaalsContact O-CB 3.32Å; G396-A399 WeakPolarHBondContact O-CB 3.41Å; G396-A399 PolarHBondContact O-N 3.43Å
397P64.1Low77.7Confident150 Ų15050.1 Ų50.197%0.97433%0.333SS*.THydrogen-bonded Turntrans-68.43.5-168.827.6-36.6000115.4
398A71.4Confident77.3Confident61 Ų6153 Ų5350%0.50435%0.349SS..THydrogen-bonded Turntrans-135.623.7173.900000112.2H297 G396 T400H297-A398 PolarHBondContact CD2-O 2.82Å; G396-A398 PolarHBondContact O-N 2.94Å; A398-T400 PolarHBondContact O-N 2.91Å
399A83.6Confident76.7Confident5 Ų553.1 Ų53.14%0.04134%0.343CS..  trans-62.8126.9-178.500000112.1S296 P386 L387 L395 G396S296-A399 WeakPolarHBondContact O-CA 3.27Å; P386-A399 WeakPolarHBondContact CA-O 3.36Å; L387-A399 HydrophobicContact CB-CB 4.28Å; L387-A399 PolarHBondContact N-O 2.89Å; L395-A399 HydrophobicContact CD2-CB 3.49Å; L395-A399 VanDerWaalsContact CD2-CB 3.49Å; L395-A399 HydrophobicContact CG-CB 3.61Å; G396-A399 VanDerWaalsContact O-CB 3.32Å; G396-A399 WeakPolarHBondContact O-CB 3.41Å; G396-A399 PolarHBondContact O-N 3.43Å
400T88.8Confident75.4Confident36 Ų3651.1 Ų51.122%0.22134%0.336CS..EExtended strand (participates in β ladder)trans-133.7153.8179.769.10000113.3A295 S296 V384 C385 A398A295-T400 WeakPolarHBondContact CA-O 3.47Å; S296-T400 PolarHBondContact N-O 2.95Å; S296-T400 PolarHBondContact O-N 2.84Å; S296-T400 PolarHBondContact OG-OG1 2.94Å; V384-T400 HydrophobicContact CG1-CG2 4.36Å; C385-T400 CarbonylContact O-C 3.59Å; C385-T400 VanDerWaalsContact O-CA 3.27Å; C385-T400 WeakPolarHBondContact O-CA 3.43Å; C385-T400 WeakPolarHBondContact O-CB 3.13Å; A398-T400 PolarHBondContact O-N 2.91Å
401M90.4Very high74Confident2 Ų255 Ų551%0.0136%0.361CS..EExtended strand (participates in β ladder)trans-112.7124.1168176.962.771.800108.9A295 W334 L351 V353 V384 C385 L387A295-M401 HydrophobicContact CB-CE 3.95Å; A295-M401 HydrophobicContact CB-SD 4.46Å; W334-M401 HydrophobicContact CH2-CE 4.26Å; W334-M401 HydrophobicContact CZ3-CE 3.86Å; W334-M401 HydrophobicContact CZ3-SD 4.31Å; L351-M401 HydrophobicContact CB-CG 4.37Å; L351-M401 HydrophobicContact CD1-CG 3.62Å; L351-M401 HydrophobicContact CD1-SD 4.38Å; V353-M401 HydrophobicContact CG2-CE 3.32Å; V384-M401 CarbonylContact C-O 3.6Å; V384-M401 WeakPolarHBondContact CA-O 3.42Å; C385-M401 PolarHBondContact N-O 2.85Å; C385-M401 PolarHBondContact O-N 3.15Å; L387-M401 HydrophobicContact CD1-CB 4.41Å; L387-M401 HydrophobicContact CD2-CB 3.98Å; L387-M401 HydrophobicContact CG-CB 4.11Å
402A89.6Confident73.1Confident20 Ų2055.5 Ų55.517%0.16537%0.365CS..EExtended strand (participates in β ladder)trans-104.9140.1170.900000110.2L293 R294 Q383 V384L293-A402 WeakPolarHBondContact CA-O 3.35Å; R294-A402 HydrophobicContact CB-CB 4.46Å; R294-A402 PolarHBondContact N-O 2.97Å; R294-A402 PolarHBondContact O-N 2.71Å; Q383-A402 WeakPolarHBondContact O-CA 3.17Å; V384-A402 HydrophobicContact CG1-CB 4.42Å; V384-A402 HydrophobicContact CG2-CB 3.91Å
403V90.9Very high72.2Confident2 Ų261.2 Ų61.21%0.01236%0.361CS..EExtended strand (participates in β ladder)trans-154.8144.9179.354.70000110.5L290 L293 L351 L370 R382 Q383 L405L290-V403 HydrophobicContact CB-CG2 4.01Å; L290-V403 HydrophobicContact CD2-CG2 4.16Å; L293-V403 HydrophobicContact CG-CG2 4.14Å; L351-V403 HydrophobicContact CD1-CB 4.19Å; L351-V403 HydrophobicContact CD1-CG1 3.84Å; L370-V403 HydrophobicContact CD1-CG1 3.78Å; R382-V403 CarbonylContact C-O 3.56Å; R382-V403 WeakPolarHBondContact CA-O 3.47Å; Q383-V403 PolarHBondContact N-O 2.9Å; Q383-V403 PolarHBondContact O-N 2.65Å; V403-L405 HydrophobicContact CB-CD1 4.5Å; V403-L405 HydrophobicContact CG1-CD1 3.68Å; V403-L405 HydrophobicContact CG2-CD1 4.21Å
404E90.1Very high70.7Confident42 Ų4263.1 Ų63.120%0.19638%0.376CS..EExtended strand (participates in β ladder)trans-99117.6166-173.5177.916900110.3L290 R291 Q292 S380 R382L290-E404 WeakPolarHBondContact CA-O 3.46Å; R291-E404 HydrophobicContact CB-CB 4.27Å; R291-E404 PolarHBondContact N-O 3.03Å; R291-E404 PolarHBondContact O-N 2.79Å; Q292-E404 PolarHBondContact NE2-OE2 3.3Å; S380-E404 WeakPolarHBondContact OG-CG 3.31Å; S380-E404 PolarHBondContact OG-OE1 2.79Å; R382-E404 HydrophobicContact CG-CB 4.48Å
405L88.6Confident69.6Low0 Ų066.5 Ų66.50%038%0.379CS..EExtended strand (participates in β ladder)trans-92.9110.9175.6-7383.5000109.1L288 L290 L349 L370 S380 R381 Q383 V403 Y407L288-L405 HydrophobicContact CD1-CB 3.82Å; L288-L405 HydrophobicContact CD1-CD2 4.23Å; L288-L405 HydrophobicContact CD1-CG 4.16Å; L288-L405 HydrophobicContact CD2-CD2 4.31Å; L290-L405 HydrophobicContact CD2-CG 3.95Å; L349-L405 HydrophobicContact CD2-CD2 4.32Å; L370-L405 HydrophobicContact CD1-CD1 4.42Å; S380-L405 CarbonylContact C-O 3.6Å; S380-L405 WeakPolarHBondContact CA-O 3.48Å; R381-L405 PolarHBondContact N-O 2.9Å; R381-L405 PolarHBondContact O-N 2.59Å; Q383-L405 HydrophobicContact CB-CD1 4.19Å; V403-L405 HydrophobicContact CB-CD1 4.5Å; V403-L405 HydrophobicContact CG1-CD1 3.68Å; V403-L405 HydrophobicContact CG2-CD1 4.21Å; L405-Y407 HydrophobicContact CB-CE2 4.16Å
406Q86.6Confident67.8Low71 Ų7167.5 Ų67.533%0.33240%0.396SS..EExtended strand (participates in β ladder)trans-110.1115.8177-178.2176-200110.6F289 R291F289-Q406 HydrophobicContact CB-CB 4.3Å; F289-Q406 PolarHBondContact N-O 2.95Å; F289-Q406 PolarHBondContact O-N 2.96Å; R291-Q406 VanDerWaalsContact NH1-OE1 3.15Å
407Y85.7Confident66.3Low21 Ų2172.6 Ų72.68%0.08242%0.424CS..EExtended strand (participates in β ladder)trans-91.4127-179.5-67.4-91.5000110.8P285 L288 L342 V372 L379 L405P285-Y407 HydrophobicContact CB-CD1 4.07Å; P285-Y407 HydrophobicContact CB-CG 4.46Å; P285-Y407 HydrophobicContact CG-CD1 3.69Å; P285-Y407 HydrophobicContact CG-CG 4.33Å; L288-Y407 HydrophobicContact CD1-CD1 4.32Å; L288-Y407 HydrophobicContact CD1-CD2 4.48Å; L288-Y407 HydrophobicContact CD1-CE1 4.16Å; L288-Y407 HydrophobicContact CD1-CE2 4.3Å; L288-Y407 HydrophobicContact CD1-CG 4.49Å; L342-Y407 HydrophobicContact CD1-CD1 3.82Å; L342-Y407 HydrophobicContact CD1-CE1 4Å; V372-Y407 HydrophobicContact CG1-CE1 4.03Å; L379-Y407 PolarHBondContact O-N 2.85Å; L405-Y407 HydrophobicContact CB-CE2 4.16Å
408D79.8Confident64.8Low75 Ų7571.1 Ų71.140%0.40141%0.414SS..EExtended strand (participates in β ladder)trans-104.5119.1-179.4-17431.4000111.7P285 T286 R287 F289 G410P285-D408 CarbonylContact C-O 3.51Å; P285-D408 WeakPolarHBondContact CA-O 3.49Å; P285-D408 WeakPolarHBondContact CB-O 3.19Å; T286-D408 PolarHBondContact N-O 3.22Å; T286-D408 VanDerWaalsContact N-O 3.09Å; R287-D408 HydrophobicContact CB-CB 4.32Å; R287-D408 PolarHBondContact O-N 2.9Å; F289-D408 HydrophobicContact CD2-CB 4.23Å; F289-D408 HydrophobicContact CE2-CB 3.83Å; D408-G410 PolarHBondContact O-N 3.37Å
409E70.7Confident63Low89 Ų8975 Ų7542%0.41643%0.431SS..  trans-82.991.2-176.3-167.4-179.8142.800109.8P283 S411P283-E409 HydrophobicContact CB-CG 3.65Å; P283-E409 WeakPolarHBondContact CB-OE1 3.47Å; E409-S411 PolarHBondContact O-N 3.23Å
410G55Low60.5Low29 Ų2979.9 Ų79.930%0.29947%0.465SS..  trans-54.9112-177.800000112.8T286 D408T286-G410 WeakPolarHBondContact OG1-CA 3.4Å; D408-G410 PolarHBondContact O-N 3.37Å
411S44.2Very low57.6Low90 Ų9083 Ų8363%0.62949%0.489SS*.  trans-53.3143170.2-178.20000110.5E409 R413E409-S411 PolarHBondContact O-N 3.23Å; S411-R413 PolarHBondContact O-N 3.44Å
412P44.2Very low54.6Low141 Ų14189 Ų8992%0.91653%0.526SS*.SBendtrans-73.542.4179.731-36.3000113.8
413R40.1Very low51.8Low201 Ų20194 Ų9476%0.75856%0.556SS**SBendtrans-167.1147165.7174.5169.5-77-129.6-1.8108.5S411S411-R413 PolarHBondContact O-N 3.44Å
414N31.9Very low48.9Very low143 Ų143105.3 Ų105.377%0.76560%0.599SS**  trans89.665.4-179-50.8-30.3000115.7
415L32.4Very low46.1Very low173 Ų173109 Ų10991%0.90663%0.627SS**  trans-91.9130.7143.5-123.7168.8000107.4
416G28.7Very low43.6Very low48 Ų48113.8 Ų113.850%0.49566%0.66SS.*  trans103.5117.9-164.200000111.4
417T35.4Very low41.9Very low126 Ų126117.4 Ų117.477%0.77368%0.68SS**  cis-161.3155-1.8-24.40000108.2
418P33.6Very low39.7Very low119 Ų119120 Ų12077%0.77370%0.698SS**SBendtrans-54.7145.1151.926.2-35.1000109.7
419T33Very low38.1Very low142 Ų142119.5 Ų119.587%0.87170%0.699SS**SBendtrans-72.8131.9-160.149.10000114.8
420S30.6Very low37Very low107 Ų107118.7 Ų118.775%0.74870%0.7SS**  trans155.6145.8131.5-168.30000112.3
421S28.2Very low37Very low103 Ų103120.7 Ų120.772%0.7270%0.701SS**SBendtrans60.7130.5166.964.80000121.3
422T28Very low37.7Very low127 Ų127120.6 Ų120.678%0.77969%0.689SS**  trans60.4102.5149.6-46.20000119.7R424T422-R424 PolarHBondContact O-N 3.41Å
423P29.7Very low38.5Very low125 Ų125115.6 Ų115.681%0.81265%0.654SS**PPolyproline II helixtrans-77.4120.9173.531.3-32.9000112.5
424R30.8Very low39.3Very low240 Ų240108.2 Ų108.291%0.90663%0.628SS**PPolyproline II helixtrans-69.7131.4165.3-79-179.5169.9165.2-2.9110.2T422T422-R424 PolarHBondContact O-N 3.41Å
425P30.1Very low41Very low120 Ų120103.6 Ų103.678%0.77960%0.603SS**PPolyproline II helixtrans-72134.6177.629.1-33.9000111.2I427P425-I427 PolarHBondContact O-N 2.84Å
426S37.2Very low42.6Very low100 Ų10098.1 Ų98.170%0.69958%0.575SS**PPolyproline II helixtrans-74.6120.7174.248.40000110.8T428S426-T428 PolarHBondContact O-N 3.25Å; S426-T428 PolarHBondContact O-OG1 2.95Å
427I50.6Low44.5Very low146 Ų146100.6 Ų100.675%0.74957%0.569SS**  trans-64.7102.1-179.9-60.5177.8000109.1P425 P456P425-I427 PolarHBondContact O-N 2.84Å; I427-P456 HydrophobicContact CG2-CB 4.43Å; I427-P456 HydrophobicContact CG2-CG 3.38Å
428T39.6Very low46Very low77 Ų7795.6 Ų95.647%0.47254%0.539SS..  trans-131.9142.717648.60000108.5S426 T430S426-T428 PolarHBondContact O-N 3.25Å; S426-T428 PolarHBondContact O-OG1 2.95Å; T428-T430 PolarHBondContact O-N 3.19Å
429P46.5Very low47.6Very low63 Ų6393.3 Ų93.341%0.40952%0.519SS..  trans-70.694-178.428.3-34.3000110S454 R455P429-S454 WeakPolarHBondContact CA-O 3.4Å; P429-S454 WeakPolarHBondContact CB-O 3.2Å; P429-R455 HydrophobicContact CB-CG 4.23Å
430T47.5Very low49.5Very low73 Ų7390.7 Ų90.745%0.44850%0.498SS..  trans-80133.5-175.738.80000111.1T428 Q453 S454T428-T430 PolarHBondContact O-N 3.19Å; T430-Q453 WeakPolarHBondContact O-CA 3.27Å; T430-S454 PolarHBondContact N-OG 2.93Å; T430-S454 PolarHBondContact O-N 3.2Å; T430-S454 PolarHBondContact O-OG 2.97Å; T430-S454 PolarHBondContact OG1-OG 2.94Å
431K54.8Low50.7Low70 Ų7091.3 Ų91.330%0.30450%0.5SS..EExtended strand (participates in β ladder)trans-111.6101.9167.7-175.2177.8-178.8177.50108.9I433 V452 Q453K431-I433 HydrophobicContact CG-CG1 4.34Å; K431-V452 CarbonylContact C-O 3.49Å; K431-V452 WeakPolarHBondContact CA-O 3.45Å; K431-Q453 HydrophobicContact CB-CG 4.42Å; K431-Q453 HydrophobicContact CG-CB 4.4Å
432K59.7Low52.4Low89 Ų8992 Ų9239%0.38750%0.495SS..EExtended strand (participates in β ladder)trans-84.1134.2170.8-164.3-171.7-173.8-165.40108.9E434 T451 V452 T475K432-E434 VanDerWaalsContact CE-OE2 3.32Å; K432-E434 WeakPolarHBondContact CE-OE2 3.33Å; K432-E434 IonicContact NZ-OE2 3.59Å; K432-E434 PolarHBondContact NZ-OE2 3.18Å; K432-T451 WeakPolarHBondContact O-CA 3.42Å; K432-V452 PolarHBondContact N-O 2.87Å; K432-V452 PolarHBondContact O-N 2.74Å; K432-T475 WeakPolarHBondContact CE-OG1 3.44Å
433I59.3Low53.7Low36 Ų3688.4 Ų88.419%0.18548%0.484CS..EExtended strand (participates in β ladder)trans-119112.4171.8-56.7-179.2000107.3K431 L435 T451 V472 E473 V474 T475K431-I433 HydrophobicContact CG-CG1 4.34Å; I433-L435 HydrophobicContact CG2-CD2 4.5Å; I433-T451 HydrophobicContact CG1-CG2 4.11Å; I433-T451 HydrophobicContact CG2-CG2 4.24Å; I433-V472 HydrophobicContact CD1-CG1 3.97Å; I433-V472 HydrophobicContact CG1-CG1 4.38Å; I433-E473 PolarHBondContact N-O 3.42Å; I433-V474 HydrophobicContact CB-CG2 4.42Å; I433-T475 PolarHBondContact O-N 3.4Å
434E58.8Low55.1Low45 Ų4585.4 Ų85.421%0.2146%0.463CS..EExtended strand (participates in β ladder)trans-109.4129.1178.4-162.1158.116000108.8K432 T450 K477K432-E434 VanDerWaalsContact CE-OE2 3.32Å; K432-E434 WeakPolarHBondContact CE-OE2 3.33Å; K432-E434 IonicContact NZ-OE2 3.59Å; K432-E434 PolarHBondContact NZ-OE2 3.18Å; E434-T450 PolarHBondContact N-O 3.3Å; E434-T450 PolarHBondContact O-N 3.3Å; E434-K477 WeakPolarHBondContact OE1-CD 3.32Å; E434-K477 WeakPolarHBondContact OE1-CE 3.35Å; E434-K477 IonicContact OE1-NZ 3.46Å; E434-K477 PolarHBondContact OE1-NZ 2.88Å
435L67.4Low56.4Low47 Ų4779.1 Ų79.125%0.24645%0.446CS..EExtended strand (participates in β ladder)trans-116.7122-178.3-64.7174.2000108I433 V449I433-L435 HydrophobicContact CG2-CD2 4.5Å; L435-V449 HydrophobicContact CD2-CB 4.13Å; L435-V449 HydrophobicContact CD2-CG1 3.81Å; L435-V449 HydrophobicContact CD2-CG2 3.73Å
436D64.4Low57.9Low58 Ų5875.9 Ų75.931%0.3142%0.424SS..EExtended strand (participates in β ladder)trans-119.9150174.3-177.731.9000110.5T447 T448D436-T447 CarbonylContact O-C 3.58Å; D436-T447 VanDerWaalsContact O-CA 3.3Å; D436-T447 WeakPolarHBondContact O-CA 3.4Å; D436-T448 PolarHBondContact N-O 2.79Å; D436-T448 PolarHBondContact O-N 2.93Å
437R70.4Confident59.1Low99 Ų9973.1 Ų73.137%0.37440%0.403SS..  trans-140.788.9-168.5-51.2-172.982.9153.9-1.5110V446 T447 E476 T479R437-V446 WeakPolarHBondContact CA-O 3.19Å; R437-T447 HydrophobicContact CG-CG2 4.21Å; R437-E476 IonicContact NH1-OE1 3.74Å; R437-T479 WeakPolarHBondContact O-CG2 3.38Å
438T66.8Low59.7Low21 Ų2168.9 Ų68.913%0.12938%0.384CS..PPolyproline II helixtrans-92135.9177.9-25.60000110V446 L482T438-V446 PolarHBondContact N-O 2.98Å; T438-V446 PolarHBondContact O-N 2.84Å; T438-L482 HydrophobicContact CG2-CD1 4.24Å
439I66.4Low60.6Low72 Ų7268.1 Ų68.137%0.36938%0.379SS..BIsolated β-bridgetrans-102.4120.2169.3-48.7-175.5000107.2I445I439-I445 HydrophobicContact CD1-CG1 4.46Å; I439-I445 HydrophobicContact CG1-CG1 4.22Å; I439-I445 HydrophobicContact CG2-CG1 4.37Å
440M72.9Confident61.3Low86 Ų8668.7 Ų68.742%0.42438%0.382SS..PPolyproline II helixtrans-77.8158177.8-64-55.1-61.800110.9D442 G443 T444 V446M440-D442 WeakPolarHBondContact CB-OD1 3.35Å; M440-D442 PolarHBondContact O-N 2.89Å; M440-D442 VanDerWaalsContact O-N 3.07Å; M440-G443 PolarHBondContact O-N 2.93Å; M440-T444 PolarHBondContact N-O 2.85Å; M440-V446 HydrophobicContact CG-CG2 3.9Å
441P56.2Low61.9Low121 Ų12169 Ų6979%0.78638%0.383SS*.THydrogen-bonded Turntrans-61.2-17.2-176.8-26.136.1000115.7G443P441-G443 VanDerWaalsContact C-N 3.26Å
442D62.6Low61.9Low117 Ų11770 Ų7063%0.62640%0.395SS*.THydrogen-bonded Turntrans-80.2-3.3172.771.7-27.5000113.6M440 T444M440-D442 WeakPolarHBondContact CB-OD1 3.35Å; M440-D442 PolarHBondContact O-N 2.89Å; M440-D442 VanDerWaalsContact O-N 3.07Å; D442-T444 VanDerWaalsContact CG-OG1 3.27Å; D442-T444 WeakPolarHBondContact OD1-CB 3.3Å; D442-T444 PolarHBondContact OD1-N 2.87Å; D442-T444 PolarHBondContact OD1-OG1 2.9Å; D442-T444 WeakPolarHBondContact OD2-CB 3.3Å; D442-T444 PolarHBondContact OD2-OG1 2.94Å
443G56.4Low61.7Low52 Ų5270.4 Ų70.454%0.53640%0.398SS..SBendtrans881.7-173.800000114.6M440 P441 I445M440-G443 PolarHBondContact O-N 2.93Å; P441-G443 VanDerWaalsContact C-N 3.26Å; G443-I445 PolarHBondContact O-N 2.82Å
444T59.7Low61.2Low61 Ų6171 Ų7137%0.37441%0.406SS..  trans-73.9118.6179.6-66.40000110.9M440 D442 V446M440-T444 PolarHBondContact N-O 2.85Å; D442-T444 VanDerWaalsContact CG-OG1 3.27Å; D442-T444 WeakPolarHBondContact OD1-CB 3.3Å; D442-T444 PolarHBondContact OD1-N 2.87Å; D442-T444 PolarHBondContact OD1-OG1 2.9Å; D442-T444 WeakPolarHBondContact OD2-CB 3.3Å; D442-T444 PolarHBondContact OD2-OG1 2.94Å; T444-V446 HydrophobicContact CG2-CG2 4.4Å; T444-V446 PolarHBondContact O-N 2.57Å
445I57.1Low60.8Low109 Ų10978 Ų7856%0.55943%0.431SS*.BIsolated β-bridgetrans-84.1102.3175.8-52.4176.7000109.4I439 G443I439-I445 HydrophobicContact CD1-CG1 4.46Å; I439-I445 HydrophobicContact CG1-CG1 4.22Å; I439-I445 HydrophobicContact CG2-CG1 4.37Å; G443-I445 PolarHBondContact O-N 2.82Å
446V62.5Low59.4Low52 Ų5279.9 Ų79.932%0.31545%0.445SS..  trans-80.2144.6169.6-177.30000108.6R437 T438 M440 T444R437-V446 WeakPolarHBondContact CA-O 3.19Å; T438-V446 PolarHBondContact N-O 2.98Å; T438-V446 PolarHBondContact O-N 2.84Å; M440-V446 HydrophobicContact CG-CG2 3.9Å; T444-V446 HydrophobicContact CG2-CG2 4.4Å; T444-V446 PolarHBondContact O-N 2.57Å
447T60.7Low58.2Low42 Ų4288.9 Ų88.926%0.25848%0.475SS..  trans-136.6106175-640000108.9D436 R437D436-T447 CarbonylContact O-C 3.58Å; D436-T447 VanDerWaalsContact O-CA 3.3Å; D436-T447 WeakPolarHBondContact O-CA 3.4Å; R437-T447 HydrophobicContact CG-CG2 4.21Å
448T63.7Low56.7Low57 Ų5792.1 Ų92.135%0.3550%0.498SS..EExtended strand (participates in β ladder)trans-89.9128.8-175.3-55.90000109.2D436D436-T448 PolarHBondContact N-O 2.79Å; D436-T448 PolarHBondContact O-N 2.93Å
449V59.8Low55.1Low60 Ų6099.3 Ų99.336%0.36454%0.536SS..EExtended strand (participates in β ladder)trans-11696.7-176.4-175.40000109.4L435 T451L435-V449 HydrophobicContact CD2-CB 4.13Å; L435-V449 HydrophobicContact CD2-CG1 3.81Å; L435-V449 HydrophobicContact CD2-CG2 3.73Å; V449-T451 HydrophobicContact CG1-CG2 4.24Å
450T60.6Low53.6Low75 Ų7598.9 Ų98.946%0.4655%0.549SS..EExtended strand (participates in β ladder)trans-98.2108.7-177.1-57.30000109.7E434 V452E434-T450 PolarHBondContact N-O 3.3Å; E434-T450 PolarHBondContact O-N 3.3Å; T450-V452 HydrophobicContact CG2-CG2 4.25Å
451T60.2Low52Low79 Ų79104.9 Ų104.949%0.48557%0.573SS.*EExtended strand (participates in β ladder)trans-107.1108.9176.967.70000111.3K432 I433 V449K432-T451 WeakPolarHBondContact O-CA 3.42Å; I433-T451 HydrophobicContact CG1-CG2 4.11Å; I433-T451 HydrophobicContact CG2-CG2 4.24Å; V449-T451 HydrophobicContact CG1-CG2 4.24Å
452V54.7Low50.9Low91 Ų91107.6 Ų107.655%0.55258%0.579SS**EExtended strand (participates in β ladder)trans-99.5125.4175.8-175.50000108.5K431 K432 T450K431-V452 CarbonylContact C-O 3.49Å; K431-V452 WeakPolarHBondContact CA-O 3.45Å; K432-V452 PolarHBondContact N-O 2.87Å; K432-V452 PolarHBondContact O-N 2.74Å; T450-V452 HydrophobicContact CG2-CG2 4.25Å
453Q56.1Low49.4Very low98 Ų98109 Ų10946%0.45859%0.587SS.*EExtended strand (participates in β ladder)trans-125.4116.2176.1-176.9171.21100111T430 K431T430-Q453 WeakPolarHBondContact O-CA 3.27Å; K431-Q453 HydrophobicContact CB-CG 4.42Å; K431-Q453 HydrophobicContact CG-CB 4.4Å
454S47.5Very low48.1Very low49 Ų49111.7 Ų111.734%0.34360%0.597SS.*  trans-87.4148.1173.966.70000111.4P429 T430P429-S454 WeakPolarHBondContact CA-O 3.4Å; P429-S454 WeakPolarHBondContact CB-O 3.2Å; T430-S454 PolarHBondContact N-OG 2.93Å; T430-S454 PolarHBondContact O-N 3.2Å; T430-S454 PolarHBondContact O-OG 2.97Å; T430-S454 PolarHBondContact OG1-OG 2.94Å
455R51Low47Very low193 Ų193114.7 Ų114.773%0.72862%0.618SS**  trans-147.9121.4164.2-64.5-167.9-169-164.28.5109.2P429P429-R455 HydrophobicContact CB-CG 4.23Å
456P38.1Very low45.8Very low85 Ų85114.9 Ų114.955%0.55263%0.629SS**  trans-65.5155.5163.1-8.823.5000110I427I427-P456 HydrophobicContact CG2-CB 4.43Å; I427-P456 HydrophobicContact CG2-CG 3.38Å
457R39.2Very low44.5Very low248 Ų248122.1 Ų122.194%0.93665%0.651SS**  trans-112.7142.3158.7-76.5-177.8170.3169.4-6.1108.3
458I37.6Very low43.2Very low166 Ų166125.1 Ų125.185%0.85167%0.673SS**  trans-123.1134.1161.8-139.5166.4000104.9
459D33.8Very low41.7Very low173 Ų173128.5 Ų128.593%0.92570%0.696SS**  trans-85.5133179.7-118.7-50.4000109.7
460G34.7Very low40.6Very low63 Ų63129 Ų12965%0.64970%0.702SS**  trans171.1100.8-167.600000112.1L462G460-L462 PolarHBondContact O-N 2.71Å
461K39.1Very low39.6Very low212 Ų212132.6 Ų132.692%0.92271%0.711SS**  trans-77.498.2-173.7-179.8-171.9178.3-177.20112.2
462L33.3Very low38.8Very low177 Ų177132.1 Ų132.193%0.92771%0.708SS**  trans-162.4150.1153.4-106.4166.4000110G460G460-L462 PolarHBondContact O-N 2.71Å
463D31.8Very low38.1Very low148 Ų148133 Ų13379%0.79171%0.706SS**  trans-109.5125.3-166.1-17315.6000113.2
464S29.9Very low37.4Very low107 Ų107132.6 Ų132.675%0.74871%0.711SS**  trans-177.7133164-86.20000112.6S466S464-S466 PolarHBondContact O-N 3.18Å
465P36.1Very low37Very low125 Ų125133.2 Ų133.281%0.81271%0.712SS**  trans-97.174.5-172.437.2-36.7000115.4R467P465-R467 PolarHBondContact O-N 2.89Å
466S30.9Very low36.5Very low112 Ų112130.1 Ų130.178%0.78371%0.706SS**  trans-7997.5174.260.60000113S464 S468S464-S466 PolarHBondContact O-N 3.18Å; S466-S468 PolarHBondContact O-N 3.04Å
467R35.8Very low36.7Very low205 Ų205131.9 Ų131.977%0.77471%0.705SS**  trans-8979.6-171.1-166.4-168.2-168.1-169.29.4114.5P465P465-R467 PolarHBondContact O-N 2.89Å
468S33.2Very low36.8Very low104 Ų104126.4 Ų126.473%0.72770%0.699SS**PPolyproline II helixtrans-65.4145.9171.7-61.10000113S466S466-S468 PolarHBondContact O-N 3.04Å
469P32.6Very low36.9Very low129 Ų129122.2 Ų122.284%0.83868%0.681SS**PPolyproline II helixtrans-75.2135.5-176.929.8-34.8000112.8
470S36.8Very low37.1Very low69 Ų69117.5 Ų117.548%0.48366%0.659SS.*PPolyproline II helixtrans-77.8129.9176.956.60000112.2V472S470-V472 PolarHBondContact O-N 2.77Å
471K39.6Very low37.3Very low151 Ų151119.5 Ų119.566%0.65766%0.658SS**PPolyproline II helixtrans-64.9127.3163.3-166-168.5-172.2-161.40108.7E473K471-E473 WeakPolarHBondContact CE-OE1 3.47Å; K471-E473 IonicContact NZ-OE1 2.66Å; K471-E473 PolarHBondContact NZ-OE1 2.91Å
472V42.8Very low37.2Very low69 Ų69115.6 Ų115.642%0.41865%0.647SS.*EExtended strand (participates in β ladder)trans-111128.6175.3179.60000108.1I433 S470 V474I433-V472 HydrophobicContact CD1-CG1 3.97Å; I433-V472 HydrophobicContact CG1-CG1 4.38Å; S470-V472 PolarHBondContact O-N 2.77Å; V472-V474 HydrophobicContact CG1-CG2 4.14Å
473E40.6Very low37.1Very low110 Ų110112.4 Ų112.451%0.51464%0.64SS.*EExtended strand (participates in β ladder)trans-115.3129.5171-74.6175.2175.200108.9I433 K471I433-E473 PolarHBondContact N-O 3.42Å; K471-E473 WeakPolarHBondContact CE-OE1 3.47Å; K471-E473 IonicContact NZ-OE1 2.66Å; K471-E473 PolarHBondContact NZ-OE1 2.91Å
474V41.1Very low37.2Very low90 Ų90114.4 Ų114.455%0.54564%0.644SS.*EExtended strand (participates in β ladder)trans-114.8121.6-179.6-176.80000107I433 V472I433-V474 HydrophobicContact CB-CG2 4.42Å; V472-V474 HydrophobicContact CG1-CG2 4.14Å
475T38Very low37.2Very low61 Ų61115 Ų11537%0.37465%0.648SS.*EExtended strand (participates in β ladder)trans-122.8103.5177.855.30000108.5K432 I433K432-T475 WeakPolarHBondContact CE-OG1 3.44Å; I433-T475 PolarHBondContact O-N 3.4Å
476E41.5Very low36.9Very low128 Ų128114.8 Ų114.860%0.59865%0.65SS**EExtended strand (participates in β ladder)trans-77.7127.8169.8-171.2164.5-150.900108.2R437R437-E476 IonicContact NH1-OE1 3.74Å
477K42.1Very low36.8Very low123 Ų123113 Ų11354%0.53565%0.649SS.*PPolyproline II helixtrans-99148.5174-81179.7173.8167.30109.9E434E434-K477 WeakPolarHBondContact OE1-CD 3.32Å; E434-K477 WeakPolarHBondContact OE1-CE 3.35Å; E434-K477 IonicContact OE1-NZ 3.46Å; E434-K477 PolarHBondContact OE1-NZ 2.88Å
478T41.9Very low37.2Very low132 Ų132109.6 Ų109.681%0.8165%0.653SS**PPolyproline II helixtrans-65.3133.3-176.2-44.60000111.7T480T478-T480 PolarHBondContact O-N 2.97Å
479T38.2Very low36.9Very low78 Ų78109.8 Ų109.848%0.47966%0.655SS.*  trans-44.1120.7178-49.30000113.2R437R437-T479 WeakPolarHBondContact O-CG2 3.38Å
480T38.2Very low36.6Very low74 Ų74111.4 Ų111.445%0.45466%0.657SS.*  trans-96.9125.5169.851.10000110.5T478T478-T480 PolarHBondContact O-N 2.97Å
481V40.1Very low36.2Very low105 Ų105112.2 Ų112.264%0.63667%0.668SS**BIsolated β-bridgetrans-98124169.2-178.90000107.9S483V481-S483 PolarHBondContact O-N 3.34Å
482L36.6Very low35.7Very low130 Ų130109.4 Ų109.468%0.68167%0.667SS**  trans-89.6100.8176.6-67.1173.2000109.2T438T438-L482 HydrophobicContact CG2-CD1 4.24Å
483S31.6Very low34.9Very low111 Ų111114.2 Ų114.278%0.77668%0.684SS**PPolyproline II helixtrans-84.2131.9167.3-63.40000109.8V481V481-S483 PolarHBondContact O-N 3.34Å
484E33.7Very low34.2Very low189 Ų189113.7 Ų113.788%0.88369%0.693SS**PPolyproline II helixtrans-74.2138.5-176.3-167.5164.8-155.700111.9
485S30Very low33.5Very low119 Ų119115.4 Ų115.483%0.83271%0.709SS**PPolyproline II helixtrans-102.8121.4-173.459.90000112.4
486S30.4Very low33.2Very low121 Ų121117.8 Ų117.885%0.84673%0.728SS**  trans-119.1141169.458.80000111.8
487G27.2Very low33.4Very low75 Ų75117.5 Ų117.577%0.77374%0.737SS**  trans-81.6-169.1-168.800000117.2
488P44.3Very low32.8Very low133 Ų133114.8 Ų114.886%0.86474%0.744SS**  trans-113.4148-145.139-32.7000116.2
489S28.1Very low32.2Very low108 Ų108116 Ų11676%0.75575%0.746SS**  trans-160.2115.5161.360.40000114.4
490N26.8Very low31.9Very low164 Ų164116.1 Ų116.188%0.87775%0.75SS**  trans36.7140.6138.8-60.7-7.1000124.2
491A28.1Very low31.8Very low86 Ų86121 Ų12171%0.71177%0.767SS**  trans77.286.913600000121.8
492S28.6Very low31.7Very low92 Ų92123.6 Ų123.664%0.64378%0.776SS**  64.4148112.870.10000123.3
493H26.8Very low31.8Very low169 Ų169122.4 Ų122.478%0.78278%0.779SS**  trans67.5109.1163.5-58-61.8000116.6
494S25.2Very low32.3Very low100 Ų100124.8 Ų124.870%0.69978%0.783SS**  cis90.3102.549.573.70000115
495S26.3Very low33.3Very low125 Ų125119.4 Ų119.487%0.87478%0.779SS**  trans-166.6141.5148.241.40000112.7
496S32Very low34.4Very low111 Ų111121.1 Ų121.178%0.77678%0.778SS**  trans-105.7-166.4159.364.60000107
497P44.9Very low35.6Very low123 Ų123119.8 Ų119.880%0.79976%0.761SS**  cis-133.5-166.34.642.7-23.7000114
498G28.8Very low37.4Very low66 Ų66120.8 Ų120.868%0.6875%0.754SS**  trans16459.4170.600000117
499D30.1Very low38.1Very low157 Ų157119.1 Ų119.184%0.8474%0.741SS**  trans46.9164151.1-53.1-19.9000123.4
500S32.3Very low39.8Very low81 Ų81115.8 Ų115.857%0.56672%0.72SS**  -163.6144.7-54.5630000109.2
501H35.6Very low41.5Very low177 Ų177113 Ų11382%0.81970%0.702SS**  trans61.8146.4164.9-54.6-62.4000117.6
502L39.2Very low43.3Very low158 Ų158112.8 Ų112.883%0.82769%0.692SS**  cis-129.1169.12.3-74.4173.8000111.4
503S38.1Very low44.8Very low106 Ų106110.5 Ų110.574%0.74168%0.678SS**  trans-70.3140.7178.954.30000115.1
504N41.5Very low46.4Very low160 Ų160107.5 Ų107.586%0.85667%0.667SS**  trans-153.5140.8135.1-107.7-29.6000110.6
505G54Low48.3Very low77 Ų77110 Ų11079%0.79466%0.661SS**  trans-78128.6-174.700000112.7
506L53Low49.9Very low155 Ų155111.9 Ų111.981%0.81266%0.656SS**  trans-131.6157.2172.4-69.9175.3000110.5
507D56.9Low50.8Low92 Ų92113.9 Ų113.949%0.49266%0.657SS.*  trans-65.7132.5-178.3-175.8-16000111.2V509 A510 E511D507-V509 PolarHBondContact O-N 3.45Å; D507-V509 VanDerWaalsContact O-N 3.09Å; D507-V509 WeakPolarHBondContact OD1-CB 3.46Å; D507-V509 WeakPolarHBondContact OD1-CG2 3.42Å; D507-V509 PolarHBondContact OD1-N 2.89Å; D507-A510 HydrophobicContact CB-CB 4.4Å; D507-A510 WeakPolarHBondContact O-CA 3.38Å; D507-A510 WeakPolarHBondContact O-CB 3.49Å; D507-A510 PolarHBondContact O-N 3.24Å; D507-E511 PolarHBondContact O-N 3.47Å
508P64.3Low51.3Low96 Ų96113 Ų11362%0.62365%0.65SS**Hα-helixtrans-55.7-23172.522.7-34.8000114.1A510 T512P508-A510 VanDerWaalsContact C-N 3.33Å; P508-T512 WeakPolarHBondContact O-CG2 3.48Å; P508-T512 PolarHBondContact O-N 2.83Å; P508-T512 PolarHBondContact O-OG1 2.95Å
509V60.4Low52.4Low98 Ų98116.9 Ų116.959%0.59465%0.65SS**Hα-helixtrans-67.7-32.7171.4-179.60000111.8D507 T512 A513D507-V509 PolarHBondContact O-N 3.45Å; D507-V509 VanDerWaalsContact O-N 3.09Å; D507-V509 WeakPolarHBondContact OD1-CB 3.46Å; D507-V509 WeakPolarHBondContact OD1-CG2 3.42Å; D507-V509 PolarHBondContact OD1-N 2.89Å; V509-T512 PolarHBondContact O-OG1 2.94Å; V509-A513 WeakPolarHBondContact O-CB 3.4Å; V509-A513 PolarHBondContact O-N 2.91Å
510A62.5Low53Low39 Ų39115.5 Ų115.532%0.32265%0.65SS.*Hα-helixtrans-76.1-42.6178.400000112D507 P508 T512 A513 I514D507-A510 HydrophobicContact CB-CB 4.4Å; D507-A510 WeakPolarHBondContact O-CA 3.38Å; D507-A510 WeakPolarHBondContact O-CB 3.49Å; D507-A510 PolarHBondContact O-N 3.24Å; P508-A510 VanDerWaalsContact C-N 3.33Å; A510-T512 PolarHBondContact O-N 2.96Å; A510-A513 PolarHBondContact O-N 2.98Å; A510-I514 WeakPolarHBondContact O-CG1 3.22Å; A510-I514 PolarHBondContact O-N 2.88Å
511E63.6Low53.7Low106 Ų106117.3 Ų117.350%0.49566%0.663SS.*Hα-helixtrans-65.2-41179.3-157.9-159.1148.700111.7D507 I514 R515D507-E511 PolarHBondContact O-N 3.47Å; E511-I514 PolarHBondContact O-N 3.36Å; E511-R515 WeakPolarHBondContact O-CG 3.43Å; E511-R515 PolarHBondContact O-N 2.85Å; E511-R515 VanDerWaalsContact O-N 3.13Å; E511-R515 IonicContact OE1-CZ 3.13Å; E511-R515 IonicContact OE1-NE 3.61Å; E511-R515 PolarHBondContact OE1-NE 2.87Å; E511-R515 IonicContact OE1-NH2 2.71Å; E511-R515 PolarHBondContact OE1-NH2 2.65Å
512T65.1Low53.9Low81 Ų81112.9 Ų112.950%0.49766%0.664SS.*Hα-helixtrans-66.6-36.8176.2480000112.8P508 V509 A510 R515 Q516P508-T512 WeakPolarHBondContact O-CG2 3.48Å; P508-T512 PolarHBondContact O-N 2.83Å; P508-T512 PolarHBondContact O-OG1 2.95Å; V509-T512 PolarHBondContact O-OG1 2.94Å; A510-T512 PolarHBondContact O-N 2.96Å; T512-R515 PolarHBondContact O-N 3.34Å; T512-Q516 PolarHBondContact O-N 3.15Å
513A59.4Low54.2Low43 Ų43117.2 Ų117.236%0.35567%0.67SS.*Hα-helixtrans-65.3-40.5173.700000112.7V509 A510 Q516 L517V509-A513 WeakPolarHBondContact O-CB 3.4Å; V509-A513 PolarHBondContact O-N 2.91Å; A510-A513 PolarHBondContact O-N 2.98Å; A513-Q516 PolarHBondContact O-N 2.79Å; A513-L517 WeakPolarHBondContact O-CG 3.31Å; A513-L517 PolarHBondContact O-N 2.9Å
514I60.8Low53.9Low106 Ų106117 Ų11754%0.54467%0.674SS.*Hα-helixtrans-64.5-41.9177.7-68.5164.6000110.7A510 E511 Q516 L517 T518A510-I514 WeakPolarHBondContact O-CG1 3.22Å; A510-I514 PolarHBondContact O-N 2.88Å; E511-I514 PolarHBondContact O-N 3.36Å; I514-Q516 PolarHBondContact O-N 3.35Å; I514-L517 PolarHBondContact O-N 3.49Å; I514-T518 WeakPolarHBondContact O-CB 3.41Å; I514-T518 PolarHBondContact O-N 2.98Å; I514-T518 VanDerWaalsContact O-N 3.13Å; I514-T518 PolarHBondContact O-OG1 2.89Å
515R66.2Low54Low152 Ų152114.3 Ų114.357%0.57468%0.675SS**Hα-helixtrans-58.7-49.3175.8-69.5178.1-174.8-1365.9111.9E511 T512 L517 T518 E519E511-R515 WeakPolarHBondContact O-CG 3.43Å; E511-R515 PolarHBondContact O-N 2.85Å; E511-R515 VanDerWaalsContact O-N 3.13Å; E511-R515 IonicContact OE1-CZ 3.13Å; E511-R515 IonicContact OE1-NE 3.61Å; E511-R515 PolarHBondContact OE1-NE 2.87Å; E511-R515 IonicContact OE1-NH2 2.71Å; E511-R515 PolarHBondContact OE1-NH2 2.65Å; T512-R515 PolarHBondContact O-N 3.34Å; R515-L517 PolarHBondContact O-N 3.35Å; R515-L517 VanDerWaalsContact O-N 3.15Å; R515-T518 PolarHBondContact O-N 3.44Å; R515-T518 VanDerWaalsContact O-N 3.1Å; R515-E519 PolarHBondContact O-N 2.89Å
516Q59.6Low53.3Low165 Ų165120.2 Ų120.277%0.77168%0.678SS**Hα-helixtrans-64.2-17.8178.8-71.2-171.2-2.600114.9T512 A513 I514T512-Q516 PolarHBondContact O-N 3.15Å; A513-Q516 PolarHBondContact O-N 2.79Å; I514-Q516 PolarHBondContact O-N 3.35Å
517L51.1Low52.9Low153 Ų153122.6 Ų122.680%0.80168%0.682SS**Hα-helixtrans-98.3-9.5176.6-67.7172.1000113.8A513 I514 R515A513-L517 WeakPolarHBondContact O-CG 3.31Å; A513-L517 PolarHBondContact O-N 2.9Å; I514-L517 PolarHBondContact O-N 3.49Å; R515-L517 PolarHBondContact O-N 3.35Å; R515-L517 VanDerWaalsContact O-N 3.15Å
518T54.7Low51.7Low104 Ų104124.2 Ų124.264%0.63870%0.696SS**Hα-helixtrans-109.2-17.7-174.8-460000113.2I514 R515I514-T518 WeakPolarHBondContact O-CB 3.41Å; I514-T518 PolarHBondContact O-N 2.98Å; I514-T518 VanDerWaalsContact O-N 3.13Å; I514-T518 PolarHBondContact O-OG1 2.89Å; R515-T518 PolarHBondContact O-N 3.44Å; R515-T518 VanDerWaalsContact O-N 3.1Å
519E51.3Low50.2Low149 Ų149125.2 Ų125.270%0.69670%0.702SS**SBendtrans-69126.7173.4-73.2175.1-16900111.6R515R515-E519 PolarHBondContact O-N 2.89Å
520P43.4Very low49.2Very low128 Ų128128 Ų12883%0.83172%0.719SS**  trans-71.9146.3-169.726.8-34.4000114G522P520-G522 PolarHBondContact O-N 2.85Å; P520-G522 VanDerWaalsContact O-N 3.11Å
521S47.3Very low48.1Very low119 Ų119134.8 Ų134.883%0.83274%0.742SS**  trans-71.7100.3-162.855.50000116.2R523S521-R523 PolarHBondContact O-N 3.46Å; S521-R523 VanDerWaalsContact O-N 3.12Å
522G40.4Very low47.1Very low83 Ų83140.1 Ų140.186%0.85676%0.757SS**  trans-74.291.6170.300000113.9P520P520-G522 PolarHBondContact O-N 2.85Å; P520-G522 VanDerWaalsContact O-N 3.11Å
523R44.9Very low45.8Very low250 Ų250141.1 Ų141.194%0.94377%0.767SS**  trans-112.8108.7168.4-89.1-167.9176.4-171.92.4112.8S521S521-R523 PolarHBondContact O-N 3.46Å; S521-R523 VanDerWaalsContact O-N 3.12Å
524A30.7Very low45.2Very low100 Ų100143.2 Ų143.283%0.82678%0.776SS**  trans-142.4121.415400000109
525A44.5Very low44.3Very low105 Ų105144.1 Ų144.187%0.86878%0.781SS**  trans-86127.7-167.700000113.2
526K39.7Very low43.5Very low200 Ų200142.7 Ų142.787%0.8778%0.784SS**  trans-129.997.2164-72.4-173179.6176.80111.3T528K526-T528 PolarHBondContact O-N 3.39Å
527K44.2Very low42.7Very low206 Ų206141.2 Ų141.290%0.89678%0.779SS**  trans4.4101.9160.4-57174.2-176.3177.70116.2
528T30.7Very low42Very low126 Ų126138.7 Ų138.777%0.77378%0.775SS**  trans-76.3130.6161.941.80000110.3K526 T530K526-T528 PolarHBondContact O-N 3.39Å; T528-T530 PolarHBondContact O-N 2.85Å
529P34.6Very low41.1Very low116 Ų116137.1 Ų137.175%0.75378%0.779SS**  trans-77.4112.2176.729.5-32.5000110.7K531P529-K531 PolarHBondContact O-N 3.22Å
530T38.8Very low40.5Very low156 Ų156135.8 Ų135.896%0.95778%0.781SS**  trans-71.728.9178.28.80000114.4T528T528-T530 PolarHBondContact O-N 2.85Å
531K38.8Very low40.1Very low183 Ų183134.7 Ų134.780%0.79678%0.776SS**  trans-117.692.7-179.1-162.9174-173.5179.70109.8P529 S533P529-K531 PolarHBondContact O-N 3.22Å; K531-S533 PolarHBondContact O-N 3.32Å
532R42.4Very low39.6Very low218 Ų218138 Ų13882%0.82378%0.776SS**  trans-61.991.6179.1-175.5-177.5-177.3-173.6-0.1111T534R532-T534 PolarHBondContact O-N 2.83Å
533S39Very low39.5Very low102 Ų102139.2 Ų139.271%0.71377%0.766SS**  trans-76.779.3-179.143.80000112.1K531 L535K531-S533 PolarHBondContact O-N 3.32Å; S533-L535 PolarHBondContact O-N 2.69Å
534T45.7Very low39Very low87 Ų87132.9 Ų132.953%0.53476%0.758SS.*  trans-71.394.3168.7-56.60000109.9R532 I536R532-T534 PolarHBondContact O-N 2.83Å; T534-I536 HydrophobicContact CG2-CD1 4.45Å; T534-I536 HydrophobicContact CG2-CG1 4.03Å
535L42.5Very low39.3Very low125 Ų125135.6 Ų135.665%0.65476%0.757SS**  trans-72.5121.5170.5-170.279.1000109.4S533 I537S533-L535 PolarHBondContact O-N 2.69Å; L535-I537 HydrophobicContact CD2-CD1 3.84Å; L535-I537 HydrophobicContact CD2-CG1 3.85Å; L535-I537 HydrophobicContact CG-CG1 4.09Å
536I48.8Very low39Very low122 Ų122134.3 Ų134.363%0.62675%0.746SS**  trans-112.7101.8177.1-55.9178.4000108.4T534 S538T534-I536 HydrophobicContact CG2-CD1 4.45Å; T534-I536 HydrophobicContact CG2-CG1 4.03Å; I536-S538 PolarHBondContact O-N 3.47Å
537I43.4Very low39.3Very low133 Ų133134.1 Ų134.168%0.68275%0.748SS**  trans-89.192.3177-51.5179.6000109.2L535 G539L535-I537 HydrophobicContact CD2-CD1 3.84Å; L535-I537 HydrophobicContact CD2-CG1 3.85Å; L535-I537 HydrophobicContact CG-CG1 4.09Å; I537-G539 PolarHBondContact O-N 3.05Å; I537-G539 VanDerWaalsContact O-N 3.1Å
538S37.3Very low39.6Very low101 Ų101128.8 Ų128.871%0.70673%0.729SS**  trans-83.872.9177.659.80000112.2I536I536-S538 PolarHBondContact O-N 3.47Å
539G35.1Very low40.5Very low70 Ų70129.9 Ų129.972%0.72273%0.726SS**  trans-76.1119.1172.900000112.2I537I537-G539 PolarHBondContact O-N 3.05Å; I537-G539 VanDerWaalsContact O-N 3.1Å
540V37.4Very low41Very low122 Ų122131.8 Ų131.874%0.73973%0.729SS**  trans-10382.5177.3-172.60000110.1K542V540-K542 HydrophobicContact CG1-CG 4.47Å; V540-K542 PolarHBondContact O-N 3.2Å
541S36.7Very low41.4Very low105 Ų105126.9 Ų126.973%0.73470%0.704SS**  trans-68.9122.9172.4-173.80000110.5
542K37.1Very low41.7Very low188 Ų188123.2 Ų123.282%0.81769%0.693SS**  trans-112.373.5172.7-69.2-176.1-175.5171.80109.9V540 P544V540-K542 HydrophobicContact CG1-CG 4.47Å; V540-K542 PolarHBondContact O-N 3.2Å; K542-P544 WeakPolarHBondContact O-CD 3.37Å
543V36.4Very low42Very low108 Ų108116.1 Ų116.166%0.65568%0.676SS**  trans-80.4122.1164.2-178.40000107.9I545V543-I545 PolarHBondContact O-N 3.34Å; V543-I545 VanDerWaalsContact O-N 3.15Å
544P34.7Very low42.5Very low118 Ų118117.5 Ų117.577%0.76668%0.675SS**  trans-70.9106.6169.629.3-31.3000108.5K542 A546K542-P544 WeakPolarHBondContact O-CD 3.37Å; P544-A546 PolarHBondContact O-N 3.04Å
545I37Very low43Very low157 Ų157115 Ų11581%0.80567%0.667SS**  trans-72.599.7172.9-60.9173.8000107.3V543V543-I545 PolarHBondContact O-N 3.34Å; V543-I545 VanDerWaalsContact O-N 3.15Å
546A39.7Very low43.6Very low78 Ų78117.8 Ų117.865%0.64567%0.67SS**  trans-65.2147.3167.100000109.9P544 D548P544-A546 PolarHBondContact O-N 3.04Å; A546-D548 PolarHBondContact O-N 2.91Å; A546-D548 VanDerWaalsContact O-N 3.09Å
547Q45.4Very low43.8Very low196 Ų196114.6 Ų114.692%0.91666%0.662SS**THydrogen-bonded Turntrans-86.970-172.5-171.3-173.6-64.600111.3
548D51.1Low44.5Very low93 Ų93111 Ų11150%0.49765%0.652SS.*THydrogen-bonded Turntrans-147.5-5.7-179.5-133.28.1000118.2A546 L550 A551 L552A546-D548 PolarHBondContact O-N 2.91Å; A546-D548 VanDerWaalsContact O-N 3.09Å; D548-L550 PolarHBondContact O-N 2.93Å; D548-A551 PolarHBondContact O-N 3.42Å; D548-A551 VanDerWaalsContact OD1-CB 3.28Å; D548-A551 WeakPolarHBondContact OD1-CB 3.39Å; D548-L552 PolarHBondContact O-N 3.47Å
549E48.7Very low45.3Very low149 Ų149109.9 Ų109.970%0.69664%0.644SS**Hα-helixtrans-62.7-13-179.7-68.3-65.5156.900114.8S553E549-S553 PolarHBondContact O-OG 3.37Å
550L44.9Very low46.3Very low156 Ų156111.8 Ų111.882%0.81764%0.637SS**Hα-helixtrans-98.2-8.9174.8-80.4168000114.2D548D548-L550 PolarHBondContact O-N 2.93Å
551A47.8Very low47Very low53 Ų53113.4 Ų113.444%0.43864%0.637SS.*Hα-helixtrans-90.9-47.117000000110.4D548 S553 L554 G555D548-A551 PolarHBondContact O-N 3.42Å; D548-A551 VanDerWaalsContact OD1-CB 3.28Å; D548-A551 WeakPolarHBondContact OD1-CB 3.39Å; A551-S553 VanDerWaalsContact C-N 3.29Å; A551-S553 PolarHBondContact O-N 3.35Å; A551-L554 PolarHBondContact O-N 2.94Å; A551-L554 VanDerWaalsContact O-N 3.1Å; A551-G555 PolarHBondContact O-N 2.91Å
552L44.2Very low47.6Very low107 Ų107112.2 Ų112.256%0.5663%0.633SS**Hα-helixtrans-63-33.6-178-62.5175.5000112.9D548 Y556D548-L552 PolarHBondContact O-N 3.47Å; L552-Y556 PolarHBondContact O-N 3.39Å
553S49.4Very low48.2Very low69 Ų69107.7 Ų107.748%0.48362%0.621SS.*Hα-helixtrans-75.6-21.4176.149.90000114.3E549 A551E549-S553 PolarHBondContact O-OG 3.37Å; A551-S553 VanDerWaalsContact C-N 3.29Å; A551-S553 PolarHBondContact O-N 3.35Å
554L49.4Very low48.8Very low131 Ų131110.3 Ų110.369%0.68663%0.628SS**Hα-helixtrans-83.3-41.4172.7-136.681.3000111.3A551 Y556 A557 A558A551-L554 PolarHBondContact O-N 2.94Å; A551-L554 VanDerWaalsContact O-N 3.1Å; L554-Y556 PolarHBondContact O-N 3.38Å; L554-A557 PolarHBondContact O-N 2.88Å; L554-A558 PolarHBondContact O-N 3.36Å
555G56.3Low49.4Very low35 Ų35113.3 Ų113.336%0.36163%0.632SS.*Hα-helixtrans-60-44.9177.800000112.6A551 A557 A558 S559A551-G555 PolarHBondContact O-N 2.91Å; G555-A557 PolarHBondContact O-N 3.32Å; G555-A558 PolarHBondContact O-N 2.95Å; G555-S559 WeakPolarHBondContact O-CB 3.47Å; G555-S559 PolarHBondContact O-N 2.94Å; G555-S559 PolarHBondContact O-OG 3.36Å
556Y54Low49.5Very low182 Ų182113.5 Ų113.571%0.71464%0.635SS**Hα-helixtrans-64.6-25.7-179.2-128-81.8000114L552 L554 L560L552-Y556 PolarHBondContact O-N 3.39Å; L554-Y556 PolarHBondContact O-N 3.38Å; Y556-L560 WeakPolarHBondContact O-CG 3.37Å
557A54Low49.3Very low56 Ų56117.4 Ų117.446%0.46365%0.645SS.*Hα-helixtrans-75.6-49.917300000111.1L554 G555 S559 L560 E561L554-A557 PolarHBondContact O-N 2.88Å; G555-A557 PolarHBondContact O-N 3.32Å; A557-S559 VanDerWaalsContact C-N 3.29Å; A557-S559 PolarHBondContact O-N 3.28Å; A557-L560 PolarHBondContact O-N 3.5Å; A557-E561 PolarHBondContact O-N 2.91Å
558A57.1Low48.7Very low57 Ų57112.8 Ų112.847%0.47164%0.64SS.*Hα-helixtrans-60.6-36.6178.700000112.7L554 G555 L560 E561 A562L554-A558 PolarHBondContact O-N 3.36Å; G555-A558 PolarHBondContact O-N 2.95Å; A558-L560 VanDerWaalsContact C-N 3.25Å; A558-L560 PolarHBondContact O-N 3.39Å; A558-E561 PolarHBondContact O-N 3.01Å; A558-A562 VanDerWaalsContact O-CB 3.28Å; A558-A562 WeakPolarHBondContact O-CB 3.38Å; A558-A562 PolarHBondContact O-N 2.97Å
559S55.4Low47.8Very low77 Ų77111.7 Ų111.754%0.53865%0.651SS.*Hα-helixtrans-69.8-14.9176-64.40000114.6G555 A557 T563G555-S559 WeakPolarHBondContact O-CB 3.47Å; G555-S559 PolarHBondContact O-N 2.94Å; G555-S559 PolarHBondContact O-OG 3.36Å; A557-S559 VanDerWaalsContact C-N 3.29Å; A557-S559 PolarHBondContact O-N 3.28Å; S559-T563 WeakPolarHBondContact O-CG2 3.43Å
560L56.3Low47Very low110 Ų110110.8 Ų110.858%0.57666%0.656SS**Hα-helixtrans-91-37.8173.6-70.3171.8000111.7Y556 A557 A558 T563Y556-L560 WeakPolarHBondContact O-CG 3.37Å; A557-L560 PolarHBondContact O-N 3.5Å; A558-L560 VanDerWaalsContact C-N 3.25Å; A558-L560 PolarHBondContact O-N 3.39Å; L560-T563 PolarHBondContact O-N 3.11Å; L560-T563 PolarHBondContact O-OG1 2.91Å
561E51Low46.5Very low157 Ų157109.3 Ų109.373%0.73466%0.658SS**Hα-helixtrans-66.2-37.5172-68.8-175.4132.700111.8A557 A558 T563 M564A557-E561 PolarHBondContact O-N 2.91Å; A558-E561 PolarHBondContact O-N 3.01Å; E561-T563 PolarHBondContact O-N 2.96Å; E561-T563 VanDerWaalsContact O-N 3.09Å; E561-M564 PolarHBondContact O-N 3.47Å
562A50.3Low45.7Very low79 Ų79110.8 Ų110.865%0.65368%0.679SS**THydrogen-bonded Turntrans-65.4-9.2176.400000115A558A558-A562 VanDerWaalsContact O-CB 3.28Å; A558-A562 WeakPolarHBondContact O-CB 3.38Å; A558-A562 PolarHBondContact O-N 2.97Å
563T48.1Very low44.9Very low93 Ų93109.1 Ų109.157%0.57169%0.687SS**THydrogen-bonded Turntrans-99.84.1178.5540000114.8S559 L560 E561S559-T563 WeakPolarHBondContact O-CG2 3.43Å; L560-T563 PolarHBondContact O-N 3.11Å; L560-T563 PolarHBondContact O-OG1 2.91Å; E561-T563 PolarHBondContact O-N 2.96Å; E561-T563 VanDerWaalsContact O-N 3.09Å
564M50.3Low45Very low163 Ų163111.6 Ų111.680%0.80370%0.702SS**SBendtrans-125.514.4-176.4-70.5-80.69600114.1E561E561-M564 PolarHBondContact O-N 3.47Å
565Q47.3Very low44.1Very low182 Ų182110.8 Ų110.885%0.8571%0.707SS**  trans-141.751.3-179.4-164.5129.397.100113
566D37.8Very low42.9Very low160 Ų160114.2 Ų114.286%0.85673%0.725SS**  trans-129.175.4169.9-170.527.6000110.5
567D36.5Very low42.5Very low161 Ų161111.4 Ų111.486%0.86173%0.729SS**  trans-161.4107.2153.7-161.8-6.3000111.5
568A33.3Very low42.3Very low99 Ų99113.9 Ų113.982%0.81874%0.741SS**  trans154.3132147.500000111.9
569G31.9Very low41.3Very low70 Ų70116.1 Ų116.172%0.72275%0.753SS**  trans133.119.7149.800000122.2
570T32.4Very low40.1Very low130 Ų130120 Ų12080%0.79877%0.768SS**  trans5398.8141.5-47.10000121
571S33.8Very low40.1Very low124 Ų124120.4 Ų120.487%0.86778%0.777SS**  trans71.5144.1139.779.80000122.5
572G30.3Very low39.7Very low84 Ų84119.3 Ų119.387%0.86678%0.783SS**  trans14885.6160.600000116.1
573G27.2Very low39Very low72 Ų72120.2 Ų120.274%0.74279%0.791SS**  trans-103.2-162.6167.500000112.6
574P51.8Low38.2Very low121 Ų121124 Ų12479%0.78681%0.805SS**  cis-144.2-169.36.343.4-24.3000116.7
575S31.2Very low37.2Very low115 Ų115121.3 Ų121.380%0.80480%0.802SS**  trans84.1129.8148.359.10000122.4
576S31.1Very low37.3Very low106 Ų106118.6 Ų118.674%0.74180%0.8SS**  trans-100.8-176.2165.156.70000110.5
577P44.9Very low36.7Very low123 Ų123114.4 Ų114.480%0.79979%0.794SS**  -146.6179.682.532.9-10.8000115.5
578P50.7Low37.1Very low109 Ų109112.2 Ų112.271%0.70879%0.789SS**  trans-125.9175.7-16444-31.3000117.8
579S35.9Very low37.2Very low104 Ų104115 Ų11573%0.72779%0.789SS**  trans49.6124.6150.2-56.40000123.3
580D29Very low37.1Very low158 Ų158118.1 Ų118.185%0.84579%0.789SS**  178.7158.6109.2-98.2-5.8000114.3
581P57.1Low37.1Very low118 Ų118115.7 Ų115.777%0.76678%0.782SS**  trans-117.9149.3175.239.6-29.1000115.6
582P43.3Very low36.9Very low134 Ų134117.4 Ų117.487%0.8778%0.781SS**  trans-119.8-179167.539.6-29000114.1
583A34.7Very low36.8Very low98 Ų98118.6 Ų118.681%0.8178%0.776SS**  trans-144.2172.6-170.700000115.6
584M32.2Very low36.8Very low174 Ų174120.3 Ų120.386%0.85778%0.776SS**  trans110.9136.4142.7-151.3-171.6-67.500121.1
585S28.3Very low36.4Very low106 Ų106120.4 Ų120.474%0.74178%0.777SS**  trans76.6162.915478.10000120.6
586P50.4Low36.3Very low125 Ų125120 Ų12081%0.81277%0.77SS**  cis-129.4-173-17.520.45.1000115.4
587G24Very low36.1Very low71 Ų71119.7 Ų119.773%0.73277%0.768SS**  trans-90.3-147.1179.900000116.1
588P46.5Very low35.4Very low116 Ų116119.2 Ų119.275%0.75376%0.762SS**  cis-149.7175.923.545.8-26.2000120.2
589L34.3Very low34.4Very low156 Ų156121.5 Ų121.582%0.81776%0.763SS**  trans63.9157.7155.6-69166.9000120.1
590D29.4Very low34Very low137 Ų137125 Ų12573%0.73377%0.768SS**  cis-152.6166.18.5-149.8-15.9000113.9
591A32.3Very low34Very low79 Ų79122 Ų12265%0.65377%0.765SS**  trans52.3144157.800000122.1
592L29.8Very low32.6Very low159 Ų159124.2 Ų124.283%0.83277%0.771SS**  cis-162.3150.8-4.5-113.7171.9000112
593S27.8Very low31.9Very low110 Ų110125 Ų12577%0.76976%0.763SS**  trans72.7121.6154.5-60.80000123.7
594S28.6Very low31.6Very low107 Ų107125.5 Ų125.575%0.74876%0.756SS**  trans-83.6-159.6168.9-19.90000112.1
595P42.8Very low31.5Very low124 Ų124122.9 Ų122.981%0.80575%0.75SS**  cis-133.9-168.57.621.56.6000115.4
596T29.5Very low31.5Very low106 Ų106128.5 Ų128.565%0.6576%0.755SS**  cis176.9116.8-40-77.50000109.6
597S27.2Very low30.4Very low100 Ų100127 Ų12770%0.69975%0.748SS**  trans47.9-174.8151.874.70000119.6
598V29.8Very low30.6Very low112 Ų112130.6 Ų130.668%0.67975%0.75SS**  cis-150.8153.324-132.30000115.3
599Q28.9Very low29.8Very low157 Ų157131.6 Ų131.673%0.73475%0.748SS**  trans37.5119.8148.3-78.7170-66.900124.5
600E27.2Very low29.6Very low177 Ų177129.3 Ų129.383%0.82775%0.745SS**  33.8152.3107.6-60.5-177.7128.100124.1
601A29.9Very low29.6Very low95 Ų95128.8 Ų128.879%0.78574%0.738SS**  trans103.291.5146.700000121
602D27.4Very low29.8Very low165 Ų165134.9 Ų134.988%0.88274%0.744SS**  57.6171.4126.5-135.4-11.5000123.9
603E28.6Very low30.5Very low150 Ų150132.2 Ų132.270%0.70174%0.736SS**  trans74.488.6162.8-68.8-136.3100.100123
604T28.1Very low30.5Very low110 Ų110132 Ų13268%0.67574%0.735SS**  73.5161.612883.10000123.8
605T31.4Very low31Very low119 Ų119132.2 Ų132.273%0.7373%0.732SS**  trans79.185146.6-480000121.8
606R26.4Very low30.5Very low223 Ų223133.2 Ų133.284%0.84273%0.73SS**  60.3142.8113.8-156-176-170.1161.82.5121.8
607S27.6Very low30.8Very low95 Ų95135.3 Ų135.366%0.66474%0.737SS**  trans69.5157.3164.713.30000115.7
608D28.3Very low31.5Very low145 Ų145136.1 Ų136.178%0.77574%0.738SS**  cis-172.6-179.1-22.4-118.7-71.5000107.4
609I30.4Very low31.8Very low137 Ų137138.6 Ų138.670%0.70374%0.742SS**  cis-160.5142.40.1170.4169.2000108.8
610S30.9Very low32.1Very low108 Ų108136.2 Ų136.276%0.75574%0.742SS**  trans-174.7121.8151.4-165.40000108.7
611E28Very low32.5Very low127 Ų127135.8 Ų135.859%0.59374%0.74SS**  65132.354.3-69.3-143.1117.900115.2
612R37.3Very low32.8Very low207 Ų207137.7 Ų137.778%0.78174%0.743SS**  cis-161.5-155.7-16.9-139.3-171.9-168.5138.8-8.5110.9
613P43.9Very low33Very low102 Ų102133.1 Ų133.166%0.66274%0.735SS**  -131.7-176.4-115.145.1-26.7000118.4
614S27.9Very low33.2Very low105 Ų105132 Ų13273%0.73474%0.743SS**  trans-155.5120.5141.956.30000108.4
615V38.8Very low33.5Very low113 Ų113133 Ų13369%0.68575%0.749SS**  57.9126.363.5-410000112.7
616D33.3Very low33.5Very low144 Ų144130.8 Ų130.877%0.7775%0.75SS**  cis-129.8162.81.3-63.5-78.9000109.7
617D35.6Very low33.7Very low151 Ų151124.8 Ų124.881%0.80775%0.748SS**  cis97.1164.425.1-131.6-52.2000115.6
618V41.7Very low33.9Very low117 Ų117127.1 Ų127.171%0.70975%0.752SS**  trans75127.9-174.8179.90000115.7
619E36.3Very low33.9Very low163 Ų163128.1 Ų128.176%0.76275%0.752SS**  cis-155.2138.8-9.6-107.5171.1163.700106.8
620S35.6Very low34.1Very low107 Ų107127.7 Ų127.775%0.74876%0.756SS**  75.5140.677.3-52.60000113.8
621E35.5Very low34.2Very low168 Ų168134.4 Ų134.479%0.78577%0.765SS**  cis-150.2155.217-77.8-161.6116.300115.4
622T36.5Very low34.5Very low136 Ų136134.2 Ų134.283%0.83478%0.778SS**  trans55.4142.7149.959.30000122.9
623G31.2Very low34.4Very low69 Ų69132.5 Ų132.571%0.71178%0.783SS**  cis170165.6-9.300000114.7
624S31.8Very low34.1Very low125 Ų125136.7 Ų136.787%0.87479%0.791SS**  trans51141.4149.5-85.70000122.3
625T34.7Very low34.4Very low132 Ų132138.8 Ų138.881%0.8179%0.794SS**  cis-154154.48.4490000112.8
626G32.8Very low34.2Very low72 Ų72142.1 Ų142.174%0.74280%0.802SS**  trans85.9124.7160.300000115.7
627A30.4Very low34.4Very low97 Ų97145.4 Ų145.480%0.80281%0.809SS**  cis69121.94700000112.5
628L31Very low34.3Very low144 Ų144143.1 Ų143.175%0.75480%0.8SS**  cis-139.4164.914.1-68.7167.2000112.5
629E28.3Very low33.8Very low166 Ų166143.2 Ų143.278%0.77681%0.806SS**  trans44.4137.4142.8-70.6175.1106.800121.9
630T33.9Very low33.6Very low128 Ų128142.2 Ų142.279%0.78580%0.8SS**  cis-139.4175.715.252.80000112.3S632T630-S632 PolarHBondContact O-N 3.07Å
631R34.7Very low33.7Very low250 Ų250144.3 Ų144.394%0.94380%0.802SS**PPolyproline II helixtrans-60.5116.7178.7-74.8175.3167.5165.9-4.6113.3
632S32.6Very low33.5Very low123 Ų123148.5 Ų148.586%0.8681%0.811SS**PPolyproline II helixtrans-79.7152.2161.2-166.30000111.5T630T630-S632 PolarHBondContact O-N 3.07Å
633L36.8Very low33.4Very low170 Ų170147.7 Ų147.789%0.8981%0.81SS**PPolyproline II helixtrans-91.7148-171.6-86165.8000113.9
634K37.3Very low33.5Very low191 Ų191147.5 Ų147.583%0.8381%0.809SS**PPolyproline II helixtrans-75.8147.2-177.2-171167.9-179.6171.20112.5
635D33.2Very low33.6Very low148 Ų148148.5 Ų148.579%0.79181%0.809SS**PPolyproline II helixtrans-58.4142.8-166.2-58.3-92.3000116.8
636H35Very low34Very low184 Ų184151.7 Ų151.785%0.85281%0.812SS**  trans-127.998.4166.5-85.96000112.6V638H636-V638 PolarHBondContact O-N 3.27Å; H636-V638 VanDerWaalsContact O-N 3.14Å
637K38Very low34.2Very low212 Ų212155.5 Ų155.592%0.92282%0.815SS**  trans-61.196.7172.1173.8-172.7174.1178.60112.2
638V33Very low34.5Very low103 Ų103158.2 Ų158.262%0.62481%0.814SS**  trans-143.196.5163.4-153.90000113.3H636 F640H636-V638 PolarHBondContact O-N 3.27Å; H636-V638 VanDerWaalsContact O-N 3.14Å; V638-F640 HydrophobicContact CB-CD2 4.45Å; V638-F640 HydrophobicContact CB-CE2 4.22Å; V638-F640 HydrophobicContact CG1-CD2 3.76Å; V638-F640 HydrophobicContact CG1-CE2 3.36Å; V638-F640 HydrophobicContact CG1-CZ 4.16Å
639S31.2Very low34.7Very low120 Ų120160 Ų16084%0.83982%0.816SS**  trans-82127.4168.952.40000111.3
640F32Very low35Very low141 Ų141163.6 Ų163.662%0.61882%0.822SS**  trans-113.3123.5177.5-87.7-90.4000113V638V638-F640 HydrophobicContact CB-CD2 4.45Å; V638-F640 HydrophobicContact CB-CE2 4.22Å; V638-F640 HydrophobicContact CG1-CD2 3.76Å; V638-F640 HydrophobicContact CG1-CE2 3.36Å; V638-F640 HydrophobicContact CG1-CZ 4.16Å
641L37Very low35.1Very low152 Ų152168.7 Ų168.780%0.79683%0.828SS**  trans57.9100.9149.8-57.2173000118.6
642R33Very low35.2Very low256 Ų256168.3 Ų168.397%0.96683%0.826SS**  trans-107.4109140.3-109.1-173.7178.3-1802.9109.1
643S33.5Very low35.4Very low118 Ų118168.6 Ų168.683%0.82583%0.825SS**  trans-137.2132.9159.5-177.70000107.2
644G32.9Very low35.3Very low66 Ų66172.1 Ų172.168%0.6883%0.826SS**  trans-156.284.8-165.600000112.5K646G644-K646 PolarHBondContact O-N 3.35Å
645T34.8Very low35.1Very low145 Ų145170.7 Ų170.789%0.8982%0.823SS**PPolyproline II helixtrans-60119.9174-8.40000110.3
646K43.1Very low35Very low199 Ų199172.8 Ų172.887%0.86583%0.825SS**PPolyproline II helixtrans-87.7118.1-179.4-77.5178.1177.11710111.7G644G644-K646 PolarHBondContact O-N 3.35Å
647L37Very low34.9Very low152 Ų152171.4 Ų171.480%0.79682%0.819SS**PPolyproline II helixtrans-69.7140.1168.1-68168.4000110.8F649L647-F649 HydrophobicContact CB-CE2 4.35Å; L647-F649 PolarHBondContact O-N 3.44Å
648I36Very low34.6Very low155 Ų155166.2 Ų166.280%0.79582%0.815SS**  trans-87.5105.3-175.3-59.1170.8000110.4R650I648-R650 HydrophobicContact CG2-CG 4.41Å
649F34.7Very low34.5Very low181 Ų181164 Ų16479%0.79481%0.814SS**  trans-104.9101.7166.7-76.8-78.7000111.1L647 R651L647-F649 HydrophobicContact CB-CE2 4.35Å; L647-F649 PolarHBondContact O-N 3.44Å; F649-R651 PolarHBondContact O-N 3.3Å
650R34.8Very low34.6Very low241 Ų241167 Ų16791%0.90982%0.819SS**  trans-72.592.5172-79.2-178.7167.2174.1-4.1111I648I648-R650 HydrophobicContact CG2-CG 4.41Å
651R36.3Very low34.6Very low236 Ų236165.6 Ų165.689%0.89183%0.827SS**PPolyproline II helixtrans-78.5119.7160.9-76.7-173.8172.8-176.3-2.3109.7F649F649-R651 PolarHBondContact O-N 3.3Å
652R36.5Very low34.4Very low241 Ų241167.2 Ų167.291%0.90983%0.831SS**PPolyproline II helixtrans-78.8124.6161.2-82.1179.3166.8170.7-5.6108.5
653P37.9Very low34.5Very low129 Ų129160.8 Ų160.884%0.83883%0.825SS**PPolyproline II helixtrans-72.6139.5158.631.4-31.2000109
654R33.1Very low34.5Very low245 Ų245163.1 Ų163.193%0.92582%0.822SS**  trans-123.5111.5163-165.1-179.1-169.7-163.81.4107
655Q34Very low34.6Very low161 Ų161166.3 Ų166.375%0.75282%0.824SS**  trans-63.7145.6177.8-172168-16.500109.8E657Q655-E657 PolarHBondContact NE2-OE1 2.91Å
656K30.7Very low34.6Very low191 Ų191166.2 Ų166.283%0.8382%0.818SS**  trans-127.1121.4178.1175.6-169.8173.7-174.10108.2
657E33Very low34.3Very low156 Ų156164.2 Ų164.273%0.72982%0.816SS**  trans-125.6159.8162.6-71.7175.8-151.100108.8Q655Q655-E657 PolarHBondContact NE2-OE1 2.91Å
658A32.2Very low34.1Very low102 Ų102161.4 Ų161.484%0.84381%0.809SS**  trans-107.1163.1173.300000108.1
659G30.5Very low33.9Very low58 Ų58161.5 Ų161.560%0.59881%0.811SS**  cis163.3-178.62.500000108.6
660L33.3Very low33.8Very low181 Ų181157 Ų15795%0.94881%0.807SS**  trans67.9156.3-178.7-49.3148.6000112.8
661S32.1Very low33.7Very low113 Ų113151.8 Ų151.879%0.7980%0.802SS**  cis-145.8-179.2-7-156.50000111.2
662Q31.9Very low33.4Very low186 Ų186145 Ų14587%0.86980%0.796SS**  trans-82.6153.2177.6-63.4164.4-87.300114.4
663S35.4Very low33.1Very low121 Ų121139.9 Ų139.985%0.84679%0.792SS**  trans-166.6171131.662.60000112.3
664H34.3Very low33.5Very low166 Ų166138.6 Ų138.677%0.76978%0.784SS**  trans-95.2169.5-175.1-95.2-108000114.3
665D35.6Very low33.6Very low134 Ų134132.1 Ų132.172%0.71778%0.776SS**  trans22152.3142.5-48.6-38.6000120.7
666D33.4Very low33.5Very low143 Ų143130.5 Ų130.577%0.76578%0.777SS**  cis-157.4-170.734.3-150.8-18000113.9
667L36.8Very low33.7Very low156 Ų156132 Ų13282%0.81778%0.777SS**  trans-50.1162.2-175.2-63.9156.4000116.8
668S33.8Very low33.8Very low93 Ų93133.6 Ų133.665%0.6578%0.782SS**  cis-171.3162.141.155.80000114.9
669N31.1Very low33.8Very low158 Ų158137.8 Ų137.885%0.84578%0.781SS**  trans54.5148.7153.4-68-15.9000121.2
670A32.7Very low33.9Very low85 Ų85139.8 Ų139.870%0.70279%0.792SS**  cis-159.3167.8-17.800000106.4
671T32.1Very low33.6Very low132 Ų132134.9 Ų134.981%0.8179%0.785SS**  cis-171.1159.148-61.60000110
672A31.5Very low33.7Very low93 Ų93134.4 Ų134.477%0.76978%0.782SS**  trans65122.7163.300000120.5
673T30.4Very low33.8Very low135 Ų135135.1 Ų135.183%0.82878%0.782SS**  trans-113.8-164.216655.80000107
674P46.4Very low33.8Very low102 Ų102133.6 Ų133.666%0.66277%0.772SS**  cis-147.1161.96.141.9-21.1000120.4
675S33.8Very low33.9Very low109 Ų109135.2 Ų135.276%0.76277%0.771SS**  trans70164142.779.10000119.4
676V33.3Very low33.9Very low127 Ų127138.5 Ų138.577%0.7777%0.774SS**  cis-134.7121.8-3.1-172.40000106.1
677R33.2Very low34Very low221 Ų221138.8 Ų138.883%0.83477%0.774SS**  75.6128.964.7-142.6-176-166.2178.26.2116.1
678K35.6Very low33.9Very low191 Ų191139.6 Ų139.683%0.8378%0.778SS**  trans79.3153169.4-56.3175.7-178.6174.80117.3
679K33.4Very low34Very low190 Ų190143.5 Ų143.583%0.82678%0.783SS**  cis-170.8131.5-27.5177.9179.1-179.8-1740109.4
680A30.7Very low34.3Very low99 Ų99146.9 Ų146.982%0.81878%0.784SS**  trans37.5136.4157.800000122
681G29Very low34.3Very low79 Ų79152.4 Ų152.481%0.81479%0.792SS**  trans-175.3110.4165.400000113.9
682S32.7Very low34.3Very low103 Ų103151.2 Ų151.272%0.7279%0.79SS**  trans-86.1141.9166.31780000109.5
683F33.6Very low34.3Very low200 Ų200156.3 Ų156.388%0.87780%0.795SS**  -178.1165.6114-105.9-73.2000112.6
684S36.2Very low34.4Very low89 Ų89160 Ų16062%0.62280%0.799SS**  trans-104.8148177.356.30000111.7
685R36.5Very low33.8Very low201 Ų201160.8 Ų160.876%0.75881%0.807SS**  161.7145.9123.3-88.7172.2-164.4-89.27.6113.9
686R36.7Very low33.8Very low203 Ų203165.1 Ų165.177%0.76681%0.812SS**  trans76.7135.4140-81.2173178.5165.9-1.5121.6
687L33.8Very low34.3Very low148 Ų148165.2 Ų165.278%0.77582%0.816SS**  trans70.2107.3142.4-65.7165.8000119.4
688I36Very low34.1Very low174 Ų174164 Ų16489%0.89282%0.816SS**  trans-118.5119.5145.4-67.7178.4000107.9
689K34.3Very low34Very low174 Ų174159.5 Ų159.576%0.75782%0.815SS**  trans-94.5146.4163.1-90.8178169.3173.10108.3
690R37.6Very low33.8Very low229 Ų229157.7 Ų157.786%0.86482%0.815SS**  trans30.5120.5150.3-65.7178.8168.2-177.2-5.1118
691F33.8Very low33.6Very low201 Ų201156.7 Ų156.788%0.88281%0.814SS**  trans-136.8146.7130.7-87.2-69.1000111.4
692S31.1Very low33.9Very low108 Ų108160.1 Ų160.176%0.75581%0.814SS**  trans-113.1134178.453.70000109.3
693F33.3Very low34.8Very low199 Ų199161.2 Ų161.287%0.87382%0.818SS**  trans-107.6131.7173.8-72.9-77.5000111.5
694K31.2Very low34.9Very low213 Ų213156.4 Ų156.493%0.92681%0.809SS**  trans-151.394.2178-168.1177-170.9176.90107.8
695S33.1Very low36Very low118 Ų118157 Ų15783%0.82581%0.811SS**  trans-103.2142.6-173.9430000112.3
696K34.4Very low35.9Very low200 Ų200156 Ų15687%0.8782%0.815SS**  trans-123.6139.1161.5-74-174.2175.6-174.60107.8
697P44.3Very low35.8Very low130 Ų130157.2 Ų157.284%0.84484%0.836SS**  trans-87.9152.1155.734.4-29.9000110.7
698K29.7Very low35.9Very low194 Ų194157.7 Ų157.784%0.84384%0.839SS**  trans-146.6125.9160.5-178.6-176178-1750107.7
699A32.1Very low35.8Very low98 Ų98156.8 Ų156.881%0.8184%0.836SS**  trans-144.1138.4170.100000108.6
700N29.2Very low35.9Very low152 Ų152155.9 Ų155.981%0.81384%0.84SS**  trans-110.2143.7169.1-85.824.6000108.1
701G27.8Very low35.8Very low78 Ų78151.6 Ų151.680%0.80484%0.839SS**  trans-174.5107.2170.900000110.2
702N35.5Very low36Very low151 Ų151148.5 Ų148.581%0.80784%0.836SS**  trans-110.4151.3170.8-119.829.1000107.9
703P50.7Low36.3Very low125 Ų125151.2 Ų151.281%0.81284%0.842SS**  -134.2171.4105.332.7-19.5000114.4
704S35.4Very low36.5Very low100 Ų100147.8 Ų147.870%0.69984%0.839SS**  trans-96-166.2-178.5550000109.9
705P59Low36.9Very low101 Ų101142.8 Ų142.866%0.65683%0.833SS**  cis-147.3-179.39.546.9-28000118.6
706Q35.8Very low37.2Very low180 Ų180144.8 Ų144.884%0.84183%0.833SS**  trans64.8147.1161.7-69.6175.59.900117.6
707L32.8Very low37.5Very low229 Ų229139.8 Ų139.8100%1.19983%0.83SS**  cis-126.305.1-148.8167.5000110.4

Retrieved 707 of 707 residues in 145.1 ms (Link to these results)

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