A0A061IR80_CRIGR Loading...

Radial spoke head protein 9 homolog

AlphaFold DB , UniProt , Accession A0A061IR80, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 223 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
1M88.9Confident89.3Confident85 Ų8557.8 Ų57.842%0.41931%0.312SS..  0133.80-61.1177.4-172.400108.7L6 S9 L10 A13 L45 F46M1-L6 HydrophobicContact CB-CD1 3.92Å; M1-L6 HydrophobicContact SD-CD1 4.32Å; M1-S9 VanDerWaalsContact SD-CB 3.59Å; M1-L10 HydrophobicContact SD-CD2 3.94Å; M1-L10 HydrophobicContact SD-CG 4.32Å; M1-A13 HydrophobicContact CE-CB 3.56Å; M1-L45 CarbonylContact O-C 3.53Å; M1-L45 WeakPolarHBondContact O-CA 3.47Å; M1-F46 PolarHBondContact N-O 3.38Å; M1-F46 PolarHBondContact O-N 2.84Å
2D91Very high88.9Confident24 Ų2464.5 Ų64.513%0.12835%0.346CS..BIsolated β-bridgetrans-67.2138.4179.5-161.7-33.5000111.2D4 S5 L6 R43 L45D2-D4 PolarHBondContact O-N 2.81Å; D2-D4 PolarHBondContact OD1-N 3.05Å; D2-S5 CarbonylContact O-C 3.46Å; D2-S5 PolarHBondContact O-N 3.07Å; D2-L6 VanDerWaalsContact O-CA 3.23Å; D2-L6 WeakPolarHBondContact O-CA 3.43Å; D2-L6 WeakPolarHBondContact O-CB 3.27Å; D2-L6 PolarHBondContact O-N 3.07Å; D2-R43 IonicContact OD1-NE 2.71Å; D2-R43 IonicContact OD2-CZ 2.99Å; D2-R43 IonicContact OD2-NE 2.79Å; D2-R43 PolarHBondContact OD2-NE 3.45Å; D2-R43 IonicContact OD2-NH2 3.28Å; D2-R43 PolarHBondContact OD2-NH2 3.41Å; D2-L45 HydrophobicContact CB-CD2 4.26Å
3A90.9Very high88.2Confident11 Ų1162.6 Ų62.69%0.09135%0.345CS..SBendtrans-58.2-37.5173.400000111.8S5 L6 L32 V44A3-S5 VanDerWaalsContact C-N 3.3Å; A3-S5 PolarHBondContact O-N 3.16Å; A3-L6 WeakPolarHBondContact O-CB 3.31Å; A3-L6 PolarHBondContact O-N 3.18Å; A3-L32 HydrophobicContact CB-CB 4.14Å; A3-L32 HydrophobicContact CB-CD1 4.34Å; A3-V44 HydrophobicContact CB-CB 4.12Å; A3-V44 HydrophobicContact CB-CG1 4.36Å; A3-V44 VanDerWaalsContact CB-O 3.32Å; A3-V44 WeakPolarHBondContact CB-O 3.46Å; A3-V44 PolarHBondContact N-O 3.42Å
4D89.9Confident87.2Confident103 Ų10362.1 Ų62.155%0.55135%0.348SS*.THydrogen-bonded Turntrans-71.6-25-176.4-64-22.6000112.1D2 K36D2-D4 PolarHBondContact O-N 2.81Å; D2-D4 PolarHBondContact OD1-N 3.05Å; D4-K36 IonicContact OD1-NZ 3.3Å; D4-K36 PolarHBondContact OD1-NZ 3.41Å; D4-K36 IonicContact OD2-NZ 2.67Å; D4-K36 PolarHBondContact OD2-NZ 2.97Å
5S90.8Very high85.9Confident54 Ų5463.3 Ų63.338%0.37838%0.379SS..THydrogen-bonded Turntrans-119.525.4177.666.40000113.2D2 A3 L7 L8 S9D2-S5 CarbonylContact O-C 3.46Å; D2-S5 PolarHBondContact O-N 3.07Å; A3-S5 VanDerWaalsContact C-N 3.3Å; A3-S5 PolarHBondContact O-N 3.16Å; S5-L7 PolarHBondContact O-N 2.87Å; S5-L8 PolarHBondContact O-N 3Å; S5-S9 PolarHBondContact O-N 3.27Å; S5-S9 VanDerWaalsContact O-N 3.1Å; S5-S9 PolarHBondContact O-OG 3.32Å
6L90Very high84.6Confident2 Ų264.6 Ų64.61%0.0139%0.393CS..Hα-helixtrans-63-40.8-169.7-177.359.8000112.9M1 D2 A3 L8 S9 L10 L28 I29 L32 F46M1-L6 HydrophobicContact CB-CD1 3.92Å; M1-L6 HydrophobicContact SD-CD1 4.32Å; D2-L6 VanDerWaalsContact O-CA 3.23Å; D2-L6 WeakPolarHBondContact O-CA 3.43Å; D2-L6 WeakPolarHBondContact O-CB 3.27Å; D2-L6 PolarHBondContact O-N 3.07Å; A3-L6 WeakPolarHBondContact O-CB 3.31Å; A3-L6 PolarHBondContact O-N 3.18Å; L6-L8 PolarHBondContact O-N 3.11Å; L6-S9 PolarHBondContact O-N 3.36Å; L6-L10 HydrophobicContact CD1-CD1 4.08Å; L6-L10 HydrophobicContact CD1-CD2 4.41Å; L6-L10 HydrophobicContact CD1-CG 3.92Å; L6-L10 HydrophobicContact CD2-CD1 4.43Å; L6-L10 HydrophobicContact CG-CD1 3.83Å; L6-L10 HydrophobicContact CG-CG 4.14Å; L6-L10 WeakPolarHBondContact O-CB 3.45Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.43Å; L6-L10 PolarHBondContact O-N 3.21Å; L6-L28 HydrophobicContact CD2-CD2 3.81Å; L6-L28 HydrophobicContact CD2-CG 3.88Å; L6-I29 HydrophobicContact CD2-CG1 4.19Å; L6-L32 HydrophobicContact CD2-CD1 3.72Å; L6-F46 HydrophobicContact CD1-CB 3.64Å; L6-F46 HydrophobicContact CD1-CD1 3.94Å; L6-F46 HydrophobicContact CD1-CG 4.11Å; L6-F46 HydrophobicContact CD2-CB 4.44Å
7L88.4Confident83.5Confident95 Ų9564.5 Ų64.550%0.49741%0.408SS..Hα-helixtrans-56.8-53.4-179.7-78.3171000111.7S5 S9 L10 E11 I29S5-L7 PolarHBondContact O-N 2.87Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 3.28Å; L7-L10 PolarHBondContact O-N 2.62Å; L7-E11 WeakPolarHBondContact O-CG 3.34Å; L7-E11 PolarHBondContact O-N 3.48Å; L7-I29 HydrophobicContact CD1-CD1 4.05Å; L7-I29 HydrophobicContact CD2-CD1 3.4Å; L7-I29 VanDerWaalsContact CD2-CD1 3.4Å; L7-I29 HydrophobicContact CG-CD1 3.57Å
8L89Confident82.6Confident103 Ų10368.1 Ų68.154%0.53942%0.419SS..Hα-helixtrans-60-44177.2178.362.4000111.2S5 L6 L10 E11 L12S5-L8 PolarHBondContact O-N 3Å; L6-L8 PolarHBondContact O-N 3.11Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 2.9Å; L8-E11 PolarHBondContact O-N 3.22Å; L8-L12 HydrophobicContact CD1-CD1 4.41Å; L8-L12 HydrophobicContact CD1-CG 4.43Å; L8-L12 HydrophobicContact CG-CD1 4.23Å; L8-L12 WeakPolarHBondContact O-CG 3.34Å; L8-L12 PolarHBondContact O-N 3.43Å
9S89.2Confident82.1Confident27 Ų2766.6 Ų66.619%0.18942%0.418CS..Hα-helixtrans-61.7-41.1179.8-56.70000112.3M1 S5 L6 L7 L12 A13M1-S9 VanDerWaalsContact SD-CB 3.59Å; S5-S9 PolarHBondContact O-N 3.27Å; S5-S9 VanDerWaalsContact O-N 3.1Å; S5-S9 PolarHBondContact O-OG 3.32Å; L6-S9 PolarHBondContact O-N 3.36Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 3.28Å; S9-L12 PolarHBondContact O-N 2.83Å; S9-A13 WeakPolarHBondContact O-CB 3.47Å; S9-A13 PolarHBondContact O-N 3.28Å
10L87.9Confident82.2Confident18 Ų1864 Ų649%0.09440%0.401CS..Hα-helixtrans-68.8-36.2177.1-72.8174.3000112.2M1 L6 L7 L8 A13 S14 L20 R25 F46M1-L10 HydrophobicContact SD-CD2 3.94Å; M1-L10 HydrophobicContact SD-CG 4.32Å; L6-L10 HydrophobicContact CD1-CD1 4.08Å; L6-L10 HydrophobicContact CD1-CD2 4.41Å; L6-L10 HydrophobicContact CD1-CG 3.92Å; L6-L10 HydrophobicContact CD2-CD1 4.43Å; L6-L10 HydrophobicContact CG-CD1 3.83Å; L6-L10 HydrophobicContact CG-CG 4.14Å; L6-L10 WeakPolarHBondContact O-CB 3.45Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.43Å; L6-L10 PolarHBondContact O-N 3.21Å; L7-L10 PolarHBondContact O-N 2.62Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 2.9Å; L10-A13 PolarHBondContact O-N 2.91Å; L10-S14 WeakPolarHBondContact O-CB 3.36Å; L10-S14 PolarHBondContact O-N 3.03Å; L10-L20 HydrophobicContact CD1-CD1 4.27Å; L10-L20 HydrophobicContact CD2-CD1 4.35Å; L10-R25 HydrophobicContact CD1-CG 4.22Å; L10-F46 HydrophobicContact CD2-CD1 4.44Å; L10-F46 HydrophobicContact CD2-CE1 4.33Å
11E86Confident82.5Confident114 Ų11463.3 Ų63.353%0.53340%0.399SS..Hα-helixtrans-64.2-45.4174.3-74.7176.2-177.800111.4L7 L8 A13 S14L7-E11 WeakPolarHBondContact O-CG 3.34Å; L7-E11 PolarHBondContact O-N 3.48Å; L8-E11 PolarHBondContact O-N 3.22Å; E11-A13 VanDerWaalsContact C-N 3.27Å; E11-A13 PolarHBondContact O-N 3.17Å; E11-S14 WeakPolarHBondContact O-CB 3.41Å; E11-S14 PolarHBondContact O-N 3.39Å; E11-S14 VanDerWaalsContact O-N 3.11Å; E11-S14 PolarHBondContact O-OG 2.82Å
12L84.4Confident82.4Confident138 Ų13864.1 Ų64.172%0.72341%0.41SS*.Hα-helixtrans-62.7-35.2176.1-67.1173000112L8 S9L8-L12 HydrophobicContact CD1-CD1 4.41Å; L8-L12 HydrophobicContact CD1-CG 4.43Å; L8-L12 HydrophobicContact CG-CD1 4.23Å; L8-L12 WeakPolarHBondContact O-CG 3.34Å; L8-L12 PolarHBondContact O-N 3.43Å; S9-L12 PolarHBondContact O-N 2.83Å
13A80.6Confident82.4Confident40 Ų4069 Ų6933%0.33144%0.436SS..Hα-helixtrans-79.6-15.9176.200000114.1M1 S9 L10 E11 G15 S16M1-A13 HydrophobicContact CE-CB 3.56Å; S9-A13 WeakPolarHBondContact O-CB 3.47Å; S9-A13 PolarHBondContact O-N 3.28Å; L10-A13 PolarHBondContact O-N 2.91Å; E11-A13 VanDerWaalsContact C-N 3.27Å; E11-A13 PolarHBondContact O-N 3.17Å; A13-G15 PolarHBondContact O-N 2.72Å; A13-G15 VanDerWaalsContact O-N 3.17Å; A13-S16 WeakPolarHBondContact O-CB 3.35Å; A13-S16 PolarHBondContact O-N 3.02Å; A13-S16 PolarHBondContact O-OG 3.14Å
14S73.8Confident82.4Confident55 Ų5572.5 Ų72.539%0.38545%0.447SS..G310 helixtrans-65.6-20.6-172.371.70000114.2L10 E11 S16 G17L10-S14 WeakPolarHBondContact O-CB 3.36Å; L10-S14 PolarHBondContact O-N 3.03Å; E11-S14 WeakPolarHBondContact O-CB 3.41Å; E11-S14 PolarHBondContact O-N 3.39Å; E11-S14 VanDerWaalsContact O-N 3.11Å; E11-S14 PolarHBondContact O-OG 2.82Å; S14-S16 PolarHBondContact O-N 3.12Å; S14-G17 PolarHBondContact O-N 3.08Å
15G67.3Low82.4Confident80 Ų8070.6 Ų70.683%0.82543%0.432SS*.G310 helixtrans-59.7-14.817500000114.4A13 G17A13-G15 PolarHBondContact O-N 2.72Å; A13-G15 VanDerWaalsContact O-N 3.17Å; G15-G17 VanDerWaalsContact C-N 3.28Å; G15-G17 PolarHBondContact O-N 2.94Å
16S66Low82.4Confident85 Ų8570.6 Ų70.659%0.59444%0.435SS*.G310 helixtrans-77.1-4.917461.40000114.6A13 S14 Q18A13-S16 WeakPolarHBondContact O-CB 3.35Å; A13-S16 PolarHBondContact O-N 3.02Å; A13-S16 PolarHBondContact O-OG 3.14Å; S14-S16 PolarHBondContact O-N 3.12Å; S16-Q18 PolarHBondContact O-N 3.35Å
17G65Low82.6Confident63 Ų6372.5 Ų72.565%0.64945%0.449SS*.SBendtrans74.93.8178.500000115S14 G15S14-G17 PolarHBondContact O-N 3.08Å; G15-G17 VanDerWaalsContact C-N 3.28Å; G15-G17 PolarHBondContact O-N 2.94Å
18Q66.9Low82.9Confident129 Ų12968 Ų6860%0.60343%0.425SS*.  trans-115.250.8-179-64.6-61.7-29.200111.6S16S16-Q18 PolarHBondContact O-N 3.35Å
19G74.1Confident83Confident39 Ų3965.3 Ų65.340%0.40241%0.411SS..PPolyproline II helixtrans-75.2157.4178.700000113.5
20L84.1Confident83.3Confident14 Ų1468.1 Ų68.17%0.07343%0.427CS..PPolyproline II helixtrans-77.3148.8169.9-62.1-178.4000110.9L10 R25 L28 F46 Y58L10-L20 HydrophobicContact CD1-CD1 4.27Å; L10-L20 HydrophobicContact CD2-CD1 4.35Å; L20-R25 HydrophobicContact CB-CG 3.59Å; L20-R25 HydrophobicContact CD1-CG 4.41Å; L20-R25 PolarHBondContact O-NE 3.4Å; L20-R25 PolarHBondContact O-NH2 3.39Å; L20-L28 HydrophobicContact CD1-CD2 3.62Å; L20-F46 HydrophobicContact CD1-CE1 4.42Å; L20-F46 HydrophobicContact CD1-CZ 4.43Å; L20-Y58 HydrophobicContact CD2-CD1 4.5Å; L20-Y58 HydrophobicContact CD2-CE1 3.61Å
21S87.7Confident83.7Confident51 Ų5167.5 Ų67.536%0.35743%0.425SS..PPolyproline II helixtrans-63.8152.8169.667.90000110.7D23 R24 R25S21-D23 VanDerWaalsContact C-N 3.26Å; S21-D23 PolarHBondContact O-N 3.22Å; S21-R24 PolarHBondContact O-N 3.23Å; S21-R24 VanDerWaalsContact O-N 3.16Å; S21-R24 WeakPolarHBondContact OG-CB 3.28Å; S21-R24 WeakPolarHBondContact OG-CG 3.27Å; S21-R24 PolarHBondContact OG-N 3.41Å; S21-R25 WeakPolarHBondContact O-CG 3.41Å; S21-R25 PolarHBondContact O-N 3.2Å
22P87.8Confident84.2Confident102 Ų10262.1 Ų62.166%0.66240%0.399SS*.Hα-helixtrans-53.7-42.5179.3-26.935.6000113.1R25 A26P22-R25 WeakPolarHBondContact O-CB 3.49Å; P22-R25 PolarHBondContact O-N 3.35Å; P22-A26 PolarHBondContact O-N 3.02Å
23D90Very high84.7Confident125 Ų12559.9 Ų59.967%0.66839%0.387SS*.Hα-helixtrans-62.7-46.2178.6-52.6-75.2000111.8S21 R25 A26 S27S21-D23 VanDerWaalsContact C-N 3.26Å; S21-D23 PolarHBondContact O-N 3.22Å; D23-R25 VanDerWaalsContact C-N 3.31Å; D23-R25 PolarHBondContact O-N 3.3Å; D23-A26 PolarHBondContact O-N 3.28Å; D23-S27 PolarHBondContact O-N 3.5Å; D23-S27 PolarHBondContact O-OG 3.2Å
24R90.6Very high85.4Confident85 Ų8561.7 Ų61.732%0.32139%0.391SS..Hα-helixtrans-64.6-36.3177.2-74.8-169.8-178.3-101.66111.8S21 L28 Y58 L77S21-R24 PolarHBondContact O-N 3.23Å; S21-R24 VanDerWaalsContact O-N 3.16Å; S21-R24 WeakPolarHBondContact OG-CB 3.28Å; S21-R24 WeakPolarHBondContact OG-CG 3.27Å; S21-R24 PolarHBondContact OG-N 3.41Å; R24-L28 WeakPolarHBondContact O-CB 3.45Å; R24-L28 PolarHBondContact O-N 3.49Å; R24-Y58 WeakPolarHBondContact CD-OH 3.43Å; R24-Y58 PolarHBondContact NE-OH 3.43Å; R24-Y58 VanDerWaalsContact NH1-CZ 3.29Å; R24-Y58 PolarHBondContact NH1-OH 3.12Å; R24-Y58 VanDerWaalsContact NH1-OH 3.16Å; R24-L77 PolarHBondContact NH1-O 3.13Å; R24-L77 VanDerWaalsContact NH1-O 3.15Å
25R90.4Very high86.5Confident63 Ų6359.3 Ų59.324%0.23838%0.375CS..Hα-helixtrans-61.9-47174.2-67.4-179.4-160.6-163.33.9111.2L10 L20 S21 P22 D23 L28 I29L10-R25 HydrophobicContact CD1-CG 4.22Å; L20-R25 HydrophobicContact CB-CG 3.59Å; L20-R25 HydrophobicContact CD1-CG 4.41Å; L20-R25 PolarHBondContact O-NE 3.4Å; L20-R25 PolarHBondContact O-NH2 3.39Å; S21-R25 WeakPolarHBondContact O-CG 3.41Å; S21-R25 PolarHBondContact O-N 3.2Å; P22-R25 WeakPolarHBondContact O-CB 3.49Å; P22-R25 PolarHBondContact O-N 3.35Å; D23-R25 VanDerWaalsContact C-N 3.31Å; D23-R25 PolarHBondContact O-N 3.3Å; R25-L28 PolarHBondContact O-N 2.92Å; R25-I29 WeakPolarHBondContact O-CD1 3.26Å; R25-I29 VanDerWaalsContact O-CG1 3.25Å; R25-I29 WeakPolarHBondContact O-CG1 3.49Å; R25-I29 PolarHBondContact O-N 2.93Å
26A91.6Very high87.9Confident54 Ų5458 Ų5845%0.44635%0.346SS..Hα-helixtrans-62.8-45.6179.800000112P22 D23 L28 T30P22-A26 PolarHBondContact O-N 3.02Å; D23-A26 PolarHBondContact O-N 3.28Å; A26-L28 PolarHBondContact O-N 3.42Å; A26-T30 PolarHBondContact O-N 2.85Å; A26-T30 PolarHBondContact O-OG1 3.43Å
27S94Very high89.4Confident43 Ų4361.7 Ų61.730%0.30135%0.347SS..Hα-helixtrans-59-46.2174.2-65.30000111.7D23 T30 S31 C79D23-S27 PolarHBondContact O-N 3.5Å; D23-S27 PolarHBondContact O-OG 3.2Å; S27-T30 PolarHBondContact O-N 3.42Å; S27-S31 VanDerWaalsContact O-CB 3.31Å; S27-S31 WeakPolarHBondContact O-CB 3.45Å; S27-S31 PolarHBondContact O-N 3.36Å; S27-S31 PolarHBondContact O-OG 2.88Å; S27-S31 VanDerWaalsContact O-OG 3.07Å; S27-C79 CarbonylContact C-O 3.45Å
28L93.7Very high90.8Very high0 Ų063.3 Ų63.30%034%0.341CS..Hα-helixtrans-61.8-46.1-178.8-177.463.6000112.3L6 L20 R24 R25 A26 T30 S31 L32 F46 C79 W82L6-L28 HydrophobicContact CD2-CD2 3.81Å; L6-L28 HydrophobicContact CD2-CG 3.88Å; L20-L28 HydrophobicContact CD1-CD2 3.62Å; R24-L28 WeakPolarHBondContact O-CB 3.45Å; R24-L28 PolarHBondContact O-N 3.49Å; R25-L28 PolarHBondContact O-N 2.92Å; A26-L28 PolarHBondContact O-N 3.42Å; L28-T30 VanDerWaalsContact C-N 3.32Å; L28-T30 PolarHBondContact O-N 3.06Å; L28-S31 PolarHBondContact O-N 3.1Å; L28-S31 PolarHBondContact O-OG 3.01Å; L28-L32 HydrophobicContact CD1-CD1 3.75Å; L28-L32 HydrophobicContact CD1-CD2 4.31Å; L28-L32 HydrophobicContact CD1-CG 3.89Å; L28-L32 HydrophobicContact CG-CD1 3.86Å; L28-L32 HydrophobicContact CG-CG 4.34Å; L28-L32 WeakPolarHBondContact O-CB 3.42Å; L28-L32 WeakPolarHBondContact O-CG 3.36Å; L28-L32 PolarHBondContact O-N 3.26Å; L28-F46 HydrophobicContact CD1-CD2 3.84Å; L28-F46 HydrophobicContact CD1-CE2 3.86Å; L28-F46 HydrophobicContact CD2-CD1 4.12Å; L28-F46 HydrophobicContact CD2-CD2 3.86Å; L28-F46 HydrophobicContact CD2-CE1 4Å; L28-F46 HydrophobicContact CD2-CE2 3.76Å; L28-F46 HydrophobicContact CD2-CG 4.05Å; L28-F46 HydrophobicContact CD2-CZ 3.82Å; L28-F46 HydrophobicContact CG-CD2 4.37Å; L28-F46 HydrophobicContact CG-CE2 4.46Å; L28-C79 HydrophobicContact CB-CB 4.25Å; L28-C79 HydrophobicContact CD1-CB 4.46Å; L28-W82 HydrophobicContact CD1-CH2 3.96Å; L28-W82 HydrophobicContact CD1-CZ2 3.64Å
29I92.6Very high92.2Very high46 Ų4661.2 Ų61.224%0.23633%0.328CS..Hα-helixtrans-60.8-46179.4-67.3158.5000110.4L6 L7 R25 L33L6-I29 HydrophobicContact CD2-CG1 4.19Å; L7-I29 HydrophobicContact CD1-CD1 4.05Å; L7-I29 HydrophobicContact CD2-CD1 3.4Å; L7-I29 VanDerWaalsContact CD2-CD1 3.4Å; L7-I29 HydrophobicContact CG-CD1 3.57Å; R25-I29 WeakPolarHBondContact O-CD1 3.26Å; R25-I29 VanDerWaalsContact O-CG1 3.25Å; R25-I29 WeakPolarHBondContact O-CG1 3.49Å; R25-I29 PolarHBondContact O-N 2.93Å; I29-L33 WeakPolarHBondContact O-CG 3.43Å; I29-L33 PolarHBondContact O-N 3.39Å
30T94.1Very high93.2Very high87 Ų8770.2 Ų70.253%0.53435%0.35SS..Hα-helixtrans-67.9-44.9-177.6-51.10000110.9A26 S27 L28 L33 L34A26-T30 PolarHBondContact O-N 2.85Å; A26-T30 PolarHBondContact O-OG1 3.43Å; S27-T30 PolarHBondContact O-N 3.42Å; L28-T30 VanDerWaalsContact C-N 3.32Å; L28-T30 PolarHBondContact O-N 3.06Å; T30-L33 PolarHBondContact O-N 3.23Å; T30-L34 PolarHBondContact O-N 2.99Å
31S96.9Very high93.7Very high5 Ų570.4 Ų70.44%0.03535%0.35CS..Hα-helixtrans-71.1-36-176.370.10000113S27 L28 L33 L34 V35 C79 W82S27-S31 VanDerWaalsContact O-CB 3.31Å; S27-S31 WeakPolarHBondContact O-CB 3.45Å; S27-S31 PolarHBondContact O-N 3.36Å; S27-S31 PolarHBondContact O-OG 2.88Å; S27-S31 VanDerWaalsContact O-OG 3.07Å; L28-S31 PolarHBondContact O-N 3.1Å; L28-S31 PolarHBondContact O-OG 3.01Å; S31-L33 VanDerWaalsContact C-N 3.31Å; S31-L33 PolarHBondContact O-N 3.46Å; S31-L34 WeakPolarHBondContact O-CB 3.1Å; S31-L34 PolarHBondContact O-N 2.81Å; S31-L34 VanDerWaalsContact O-N 3.14Å; S31-V35 WeakPolarHBondContact O-CG2 3.38Å; S31-V35 PolarHBondContact O-N 3.24Å; S31-C79 VanDerWaalsContact CB-O 3.25Å; S31-C79 WeakPolarHBondContact CB-O 3.44Å; S31-C79 PolarHBondContact OG-O 3.36Å; S31-W82 PolarHBondContact OG-NE1 3.26Å
32L96.6Very high94.1Very high1 Ų170.4 Ų70.41%0.00535%0.353CS..Hα-helixtrans-65.6-32.7176.5-68.9176000112.9A3 L6 L28 L34 V35 K36 V44 F46 A60 W82A3-L32 HydrophobicContact CB-CB 4.14Å; A3-L32 HydrophobicContact CB-CD1 4.34Å; L6-L32 HydrophobicContact CD2-CD1 3.72Å; L28-L32 HydrophobicContact CD1-CD1 3.75Å; L28-L32 HydrophobicContact CD1-CD2 4.31Å; L28-L32 HydrophobicContact CD1-CG 3.89Å; L28-L32 HydrophobicContact CG-CD1 3.86Å; L28-L32 HydrophobicContact CG-CG 4.34Å; L28-L32 WeakPolarHBondContact O-CB 3.42Å; L28-L32 WeakPolarHBondContact O-CG 3.36Å; L28-L32 PolarHBondContact O-N 3.26Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L32-V35 PolarHBondContact O-N 3.03Å; L32-K36 WeakPolarHBondContact O-CB 3.49Å; L32-K36 PolarHBondContact O-N 2.87Å; L32-V44 HydrophobicContact CB-CG1 4.35Å; L32-V44 HydrophobicContact CD2-CG1 3.86Å; L32-F46 HydrophobicContact CD1-CB 4.07Å; L32-A60 HydrophobicContact CD2-CB 3.48Å; L32-A60 VanDerWaalsContact CD2-CB 3.48Å; L32-W82 HydrophobicContact CD2-CH2 3.84Å; L32-W82 HydrophobicContact CD2-CZ2 3.52Å; L32-W82 HydrophobicContact CG-CZ2 4.2Å
33L94.6Very high94.3Very high90 Ų9068.7 Ų68.747%0.47133%0.333SS..Hα-helixtrans-64.7-40.1172.3-69.5172.5000111.5I29 T30 S31 K36 R37I29-L33 WeakPolarHBondContact O-CG 3.43Å; I29-L33 PolarHBondContact O-N 3.39Å; T30-L33 PolarHBondContact O-N 3.23Å; S31-L33 VanDerWaalsContact C-N 3.31Å; S31-L33 PolarHBondContact O-N 3.46Å; L33-K36 PolarHBondContact O-N 2.7Å; L33-R37 PolarHBondContact O-N 3.22Å
34L96.3Very high94.7Very high78 Ų7862.8 Ų62.841%0.40830%0.302SS..Hα-helixtrans-65.2-45.1173.9-62.1175.3000111T30 S31 L32 K36 R37 D38T30-L34 PolarHBondContact O-N 2.99Å; S31-L34 WeakPolarHBondContact O-CB 3.1Å; S31-L34 PolarHBondContact O-N 2.81Å; S31-L34 VanDerWaalsContact O-N 3.14Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 2.88Å; L34-R37 WeakPolarHBondContact O-CB 3.24Å; L34-R37 PolarHBondContact O-N 3.46Å; L34-R37 VanDerWaalsContact O-N 3.13Å; L34-D38 WeakPolarHBondContact O-CB 3.29Å; L34-D38 PolarHBondContact O-N 3.07Å
35V96.9Very high94.9Very high6 Ų659.5 Ų59.54%0.03629%0.291CS..Hα-helixtrans-57-45.7175.6169.80000111.5S31 L32 R37 D38 Y39 F41 V44 L74 W82S31-V35 WeakPolarHBondContact O-CG2 3.38Å; S31-V35 PolarHBondContact O-N 3.24Å; L32-V35 PolarHBondContact O-N 3.03Å; V35-R37 VanDerWaalsContact C-N 3.3Å; V35-R37 PolarHBondContact O-N 3.31Å; V35-D38 PolarHBondContact O-N 2.81Å; V35-Y39 HydrophobicContact CG1-CD2 4.1Å; V35-Y39 PolarHBondContact O-N 3.07Å; V35-Y39 VanDerWaalsContact O-N 3.08Å; V35-F41 HydrophobicContact CG1-CD2 4.18Å; V35-F41 HydrophobicContact CG1-CE2 3.97Å; V35-V44 HydrophobicContact CG1-CG2 4.49Å; V35-L74 HydrophobicContact CG1-CD1 4.19Å; V35-L74 HydrophobicContact CG1-CD2 4.04Å; V35-W82 HydrophobicContact CG2-CB 3.9Å; V35-W82 HydrophobicContact CG2-CD2 4.12Å; V35-W82 HydrophobicContact CG2-CG 3.5Å
36K96.4Very high95.2Very high51 Ų5156.9 Ų56.922%0.22228%0.281CS..Hα-helixtrans-55.7-46.1176.7-172.2174.7-179176.60111.2D4 L32 L33 L34 R40 F41 A42 V44D4-K36 IonicContact OD1-NZ 3.3Å; D4-K36 PolarHBondContact OD1-NZ 3.41Å; D4-K36 IonicContact OD2-NZ 2.67Å; D4-K36 PolarHBondContact OD2-NZ 2.97Å; L32-K36 WeakPolarHBondContact O-CB 3.49Å; L32-K36 PolarHBondContact O-N 2.87Å; L33-K36 PolarHBondContact O-N 2.7Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 2.88Å; K36-R40 CarbonylContact O-C 3.4Å; K36-R40 WeakPolarHBondContact O-CA 3.39Å; K36-R40 PolarHBondContact O-N 2.74Å; K36-R40 VanDerWaalsContact O-N 3.14Å; K36-F41 WeakPolarHBondContact CG-O 3.32Å; K36-F41 PolarHBondContact O-N 2.99Å; K36-A42 WeakPolarHBondContact CE-O 3.46Å; K36-V44 HydrophobicContact CB-CB 4.46Å; K36-V44 HydrophobicContact CB-CG2 3.56Å; K36-V44 HydrophobicContact CG-CG2 3.96Å
37R96.3Very high95.3Very high164 Ų16457.2 Ų57.262%0.61927%0.271SS*.Hα-helixtrans-67.6-51.3179.1-176.5-164.769.1-172.7-2.4112.2L33 L34 V35 Y39 R40L33-R37 PolarHBondContact O-N 3.22Å; L34-R37 WeakPolarHBondContact O-CB 3.24Å; L34-R37 PolarHBondContact O-N 3.46Å; L34-R37 VanDerWaalsContact O-N 3.13Å; V35-R37 VanDerWaalsContact C-N 3.3Å; V35-R37 PolarHBondContact O-N 3.31Å; R37-Y39 PolarHBondContact O-N 2.85Å; R37-R40 PolarHBondContact O-N 3.39Å
38D95.8Very high95.3Very high96 Ų9655.9 Ų55.951%0.51326%0.264SS..Hα-helixtrans-69.2-38.5-168.4-66.5-11.9000111.6L34 V35L34-D38 WeakPolarHBondContact O-CB 3.29Å; L34-D38 PolarHBondContact O-N 3.07Å; V35-D38 PolarHBondContact O-N 2.81Å
39Y95.3Very high95.3Very high85 Ų8559.2 Ų59.233%0.33328%0.276SS..THydrogen-bonded Turntrans-92.3-0.5175.9-70.9-91000113.9V35 R37 F41 L74 L84V35-Y39 HydrophobicContact CG1-CD2 4.1Å; V35-Y39 PolarHBondContact O-N 3.07Å; V35-Y39 VanDerWaalsContact O-N 3.08Å; R37-Y39 PolarHBondContact O-N 2.85Å; Y39-F41 VanDerWaalsContact C-N 3.3Å; Y39-F41 VanDerWaalsContact CB-CZ 3.43Å; Y39-F41 HydrophobicContact CD1-CE2 4.41Å; Y39-F41 HydrophobicContact CD1-CZ 4.19Å; Y39-F41 HydrophobicContact CD2-CE2 4.19Å; Y39-F41 HydrophobicContact CG-CD2 4.49Å; Y39-F41 AromaticContact CG-CE2 3.7Å; Y39-F41 HydrophobicContact CG-CE2 3.7Å; Y39-F41 AromaticContact CG-CZ 3.91Å; Y39-F41 HydrophobicContact CG-CZ 3.91Å; Y39-F41 PolarHBondContact O-N 3.28Å; Y39-L74 HydrophobicContact CD2-CD2 4.11Å; Y39-L74 HydrophobicContact CE1-CD2 4.42Å; Y39-L74 HydrophobicContact CE2-CD2 3.57Å; Y39-L84 HydrophobicContact CE1-CB 4.46Å; Y39-L84 HydrophobicContact CE1-CD2 4.44Å
40R95.4Very high95.4Very high228 Ų22858 Ų5886%0.8627%0.27SS*.THydrogen-bonded Turntrans54.143.2-179.1-54.1179.7-176.3174.60.5113.2K36 R37K36-R40 CarbonylContact O-C 3.4Å; K36-R40 WeakPolarHBondContact O-CA 3.39Å; K36-R40 PolarHBondContact O-N 2.74Å; K36-R40 VanDerWaalsContact O-N 3.14Å; R37-R40 PolarHBondContact O-N 3.39Å
41F95.8Very high95.4Very high19 Ų1958.4 Ų58.48%0.08327%0.269CS..  trans-74.2141.9175.2-64.2-52.5000110.8V35 K36 Y39 R43 V44 K72 L74V35-F41 HydrophobicContact CG1-CD2 4.18Å; V35-F41 HydrophobicContact CG1-CE2 3.97Å; K36-F41 WeakPolarHBondContact CG-O 3.32Å; K36-F41 PolarHBondContact O-N 2.99Å; Y39-F41 VanDerWaalsContact C-N 3.3Å; Y39-F41 VanDerWaalsContact CB-CZ 3.43Å; Y39-F41 HydrophobicContact CD1-CE2 4.41Å; Y39-F41 HydrophobicContact CD1-CZ 4.19Å; Y39-F41 HydrophobicContact CD2-CE2 4.19Å; Y39-F41 HydrophobicContact CG-CD2 4.49Å; Y39-F41 AromaticContact CG-CE2 3.7Å; Y39-F41 HydrophobicContact CG-CE2 3.7Å; Y39-F41 AromaticContact CG-CZ 3.91Å; Y39-F41 HydrophobicContact CG-CZ 3.91Å; Y39-F41 PolarHBondContact O-N 3.28Å; F41-R43 VanDerWaalsContact C-N 3.28Å; F41-V44 HydrophobicContact CB-CG2 3.91Å; F41-V44 HydrophobicContact CD2-CG2 3.76Å; F41-V44 HydrophobicContact CG-CG2 4.24Å; F41-K72 HydrophobicContact CE1-CB 3.74Å; F41-K72 HydrophobicContact CE1-CD 3.76Å; F41-K72 HydrophobicContact CE1-CG 3.98Å; F41-K72 HydrophobicContact CZ-CB 3.63Å; F41-K72 HydrophobicContact CZ-CD 3.98Å; F41-K72 HydrophobicContact CZ-CG 4.26Å; F41-L74 HydrophobicContact CE2-CD1 3.92Å; F41-L74 HydrophobicContact CZ-CD1 4.18Å
42A94.2Very high95.3Very high51 Ų5159 Ų5942%0.42128%0.275SS..SBendtrans-67.3-38.3170.100000110K36 L63 E65K36-A42 WeakPolarHBondContact CE-O 3.46Å; A42-L63 PolarHBondContact N-O 2.79Å; A42-E65 HydrophobicContact CB-CG 4.4Å
43R93.9Very high95.2Very high65 Ų6563.9 Ų63.925%0.24530%0.301CS..EExtended strand (participates in β ladder)trans-144.9146.1-179.6-164.8178.8-173-165.21.7110.6D2 F41 L45 L63D2-R43 IonicContact OD1-NE 2.71Å; D2-R43 IonicContact OD2-CZ 2.99Å; D2-R43 IonicContact OD2-NE 2.79Å; D2-R43 PolarHBondContact OD2-NE 3.45Å; D2-R43 IonicContact OD2-NH2 3.28Å; D2-R43 PolarHBondContact OD2-NH2 3.41Å; F41-R43 VanDerWaalsContact C-N 3.28Å; R43-L45 HydrophobicContact CG-CD2 4.23Å; R43-L63 HydrophobicContact CB-CB 4.35Å; R43-L63 PolarHBondContact N-O 3.03Å; R43-L63 PolarHBondContact O-N 2.96Å
44V96.9Very high95.2Very high1 Ų165.4 Ų65.41%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-121.5130.1172.8175.80000108.2A3 L32 V35 K36 F41 A60 Q61A3-V44 HydrophobicContact CB-CB 4.12Å; A3-V44 HydrophobicContact CB-CG1 4.36Å; A3-V44 VanDerWaalsContact CB-O 3.32Å; A3-V44 WeakPolarHBondContact CB-O 3.46Å; A3-V44 PolarHBondContact N-O 3.42Å; L32-V44 HydrophobicContact CB-CG1 4.35Å; L32-V44 HydrophobicContact CD2-CG1 3.86Å; V35-V44 HydrophobicContact CG1-CG2 4.49Å; K36-V44 HydrophobicContact CB-CB 4.46Å; K36-V44 HydrophobicContact CB-CG2 3.56Å; K36-V44 HydrophobicContact CG-CG2 3.96Å; F41-V44 HydrophobicContact CB-CG2 3.91Å; F41-V44 HydrophobicContact CD2-CG2 3.76Å; F41-V44 HydrophobicContact CG-CG2 4.24Å; V44-A60 HydrophobicContact CG1-CB 4.46Å; V44-Q61 CarbonylContact C-O 3.55Å; V44-Q61 WeakPolarHBondContact CA-O 3.26Å
45L95.6Very high95.1Very high17 Ų1763.1 Ų63.19%0.08931%0.306CS..EExtended strand (participates in β ladder)trans-110129.3174.7-55.9-179.4000108.9M1 D2 R43 W47 A60 Q61 L63 F190M1-L45 CarbonylContact O-C 3.53Å; M1-L45 WeakPolarHBondContact O-CA 3.47Å; D2-L45 HydrophobicContact CB-CD2 4.26Å; R43-L45 HydrophobicContact CG-CD2 4.23Å; L45-W47 PolarHBondContact O-N 2.95Å; L45-A60 CarbonylContact O-C 3.52Å; L45-A60 VanDerWaalsContact O-CA 3.31Å; L45-A60 WeakPolarHBondContact O-CA 3.15Å; L45-Q61 PolarHBondContact N-O 2.78Å; L45-Q61 PolarHBondContact O-N 2.77Å; L45-L63 HydrophobicContact CB-CD1 4.42Å; L45-L63 HydrophobicContact CD1-CD1 3.61Å; L45-L63 HydrophobicContact CD1-CD2 4.34Å; L45-L63 HydrophobicContact CG-CD1 3.58Å; L45-F190 HydrophobicContact CD1-CE1 4.28Å
46F95.8Very high95Very high8 Ų864.4 Ų64.44%0.03531%0.313CS..EExtended strand (participates in β ladder)trans-73.2117.3159.6-174.9-119.5000108.5M1 L6 L10 L20 L28 L32 G48 Y58 I59M1-F46 PolarHBondContact N-O 3.38Å; M1-F46 PolarHBondContact O-N 2.84Å; L6-F46 HydrophobicContact CD1-CB 3.64Å; L6-F46 HydrophobicContact CD1-CD1 3.94Å; L6-F46 HydrophobicContact CD1-CG 4.11Å; L6-F46 HydrophobicContact CD2-CB 4.44Å; L10-F46 HydrophobicContact CD2-CD1 4.44Å; L10-F46 HydrophobicContact CD2-CE1 4.33Å; L20-F46 HydrophobicContact CD1-CE1 4.42Å; L20-F46 HydrophobicContact CD1-CZ 4.43Å; L28-F46 HydrophobicContact CD1-CD2 3.84Å; L28-F46 HydrophobicContact CD1-CE2 3.86Å; L28-F46 HydrophobicContact CD2-CD1 4.12Å; L28-F46 HydrophobicContact CD2-CD2 3.86Å; L28-F46 HydrophobicContact CD2-CE1 4Å; L28-F46 HydrophobicContact CD2-CE2 3.76Å; L28-F46 HydrophobicContact CD2-CG 4.05Å; L28-F46 HydrophobicContact CD2-CZ 3.82Å; L28-F46 HydrophobicContact CG-CD2 4.37Å; L28-F46 HydrophobicContact CG-CE2 4.46Å; L32-F46 HydrophobicContact CD1-CB 4.07Å; F46-G48 WeakPolarHBondContact CE2-O 3.43Å; F46-G48 VanDerWaalsContact CZ-O 3.24Å; F46-G48 WeakPolarHBondContact CZ-O 3.4Å; F46-Y58 HydrophobicContact CE2-CD1 4.31Å; F46-Y58 HydrophobicContact CZ-CD1 4.15Å; F46-I59 VanDerWaalsContact CD2-O 3.29Å; F46-I59 WeakPolarHBondContact CD2-O 3.16Å
47W95.1Very high95Very high61 Ų6162 Ų6223%0.23130%0.302CS..EExtended strand (participates in β ladder)trans-78.8-45.1-179.217895.6000110.3L45 I50 I59 Q61 V144 I147 D148L45-W47 PolarHBondContact O-N 2.95Å; W47-I50 HydrophobicContact CH2-CD1 3.97Å; W47-I50 HydrophobicContact CH2-CG1 3.96Å; W47-I50 HydrophobicContact CZ3-CD1 4Å; W47-I50 HydrophobicContact CZ3-CG1 3.67Å; W47-I59 HydrophobicContact CB-CB 3.89Å; W47-I59 HydrophobicContact CB-CG2 3.73Å; W47-I59 WeakPolarHBondContact CB-O 3.35Å; W47-I59 HydrophobicContact CD2-CB 4.05Å; W47-I59 HydrophobicContact CD2-CG2 4.07Å; W47-I59 HydrophobicContact CE3-CB 3.68Å; W47-I59 HydrophobicContact CE3-CG1 3.88Å; W47-I59 HydrophobicContact CE3-CG2 4.19Å; W47-I59 HydrophobicContact CG-CB 4.18Å; W47-I59 HydrophobicContact CG-CG2 3.91Å; W47-I59 HydrophobicContact CZ3-CG1 4.23Å; W47-I59 PolarHBondContact N-O 2.71Å; W47-Q61 HydrophobicContact CB-CG 4.38Å; W47-V144 HydrophobicContact CZ2-CG1 4.43Å; W47-V144 HydrophobicContact CZ2-CG2 4.48Å; W47-I147 HydrophobicContact CH2-CD1 3.79Å; W47-I147 HydrophobicContact CH2-CG2 4.24Å; W47-I147 HydrophobicContact CZ2-CB 3.84Å; W47-I147 HydrophobicContact CZ2-CD1 3.91Å; W47-I147 HydrophobicContact CZ2-CG1 4.49Å; W47-I147 HydrophobicContact CZ2-CG2 3.51Å; W47-D148 PolarHBondContact NE1-OD1 3.16Å
48G93.3Very high95.1Very high15 Ų1554.2 Ų54.216%0.15527%0.273CS..EExtended strand (participates in β ladder)trans147.8-152.8-178.400000112.4F46 I59F46-G48 WeakPolarHBondContact CE2-O 3.43Å; F46-G48 VanDerWaalsContact CZ-O 3.24Å; F46-G48 WeakPolarHBondContact CZ-O 3.4Å; G48-I59 PolarHBondContact N-O 2.67Å; G48-I59 PolarHBondContact O-N 3.27Å
49R93.4Very high95.2Very high70 Ų7049.7 Ų49.726%0.26425%0.248SC..EExtended strand (participates in β ladder)trans-135135.1-176-178.2177.564.4156.8-9.3110.9L51 D56 Y57 Y58R49-L51 HydrophobicContact CG-CD2 4.41Å; R49-D56 WeakPolarHBondContact CD-OD2 3.45Å; R49-D56 HydrophobicContact CG-CB 3.8Å; R49-D56 IonicContact CZ-OD2 3.59Å; R49-D56 IonicContact NE-OD2 3.77Å; R49-D56 IonicContact NH1-OD2 2.81Å; R49-D56 PolarHBondContact NH1-OD2 3.32Å; R49-Y57 CarbonylContact C-O 3.58Å; R49-Y57 WeakPolarHBondContact CA-O 3.26Å; R49-Y57 WeakPolarHBondContact CG-O 3.44Å; R49-Y58 WeakPolarHBondContact CD-OH 3.48Å; R49-Y58 HydrophobicContact CG-CD1 4.42Å; R49-Y58 HydrophobicContact CG-CE1 4.17Å
50I95.1Very high95.3Very high19 Ų1945.6 Ų45.610%0.09723%0.233CC..EExtended strand (participates in β ladder)trans-106.3123.8171-61.7174.3000107.5W47 D56 Y57 I59 F103 L140 I143 V144W47-I50 HydrophobicContact CH2-CD1 3.97Å; W47-I50 HydrophobicContact CH2-CG1 3.96Å; W47-I50 HydrophobicContact CZ3-CD1 4Å; W47-I50 HydrophobicContact CZ3-CG1 3.67Å; I50-D56 CarbonylContact O-C 3.55Å; I50-D56 WeakPolarHBondContact O-CA 3.24Å; I50-Y57 PolarHBondContact N-O 3.39Å; I50-Y57 PolarHBondContact O-N 2.99Å; I50-I59 HydrophobicContact CD1-CG1 4.38Å; I50-F103 HydrophobicContact CG2-CD2 3.56Å; I50-F103 HydrophobicContact CG2-CE2 3.82Å; I50-F103 HydrophobicContact CG2-CG 4.07Å; I50-L140 HydrophobicContact CD1-CD1 3.57Å; I50-I143 HydrophobicContact CD1-CG2 4.48Å; I50-V144 HydrophobicContact CD1-CG2 3.88Å
51L93.9Very high95.4Very high97 Ų9735 Ų3551%0.50819%0.193SC..  trans-78.3128.6-177.6-58.7177.6000110.5R49 D56R49-L51 HydrophobicContact CG-CD2 4.41Å; L51-D56 WeakPolarHBondContact CA-OD1 3.32Å; L51-D56 WeakPolarHBondContact CD2-OD1 3.31Å
52G94.7Very high95.5Very high17 Ų1734.1 Ų34.118%0.17519%0.19CC..BIsolated β-bridgetrans-110.3172.5170.300000111.9A55 D56 F103G52-A55 WeakPolarHBondContact CA-O 3.5Å; G52-A55 PolarHBondContact N-O 2.95Å; G52-D56 PolarHBondContact N-OD1 3.39Å; G52-F103 CarbonylContact C-O 3.58Å; G52-F103 WeakPolarHBondContact CA-O 3.4Å
53L94.2Very high95.5Very high103 Ų10331.8 Ų31.854%0.53917%0.17SC..SBendtrans-75.4-38.1177.4-69.9179.9000112.5R102 F103 M104L53-R102 HydrophobicContact CD2-CB 4.37Å; L53-R102 HydrophobicContact CG-CB 4.18Å; L53-F103 PolarHBondContact N-O 3.46Å; L53-M104 HydrophobicContact CD1-CE 4.45Å; L53-M104 HydrophobicContact CD1-SD 3.79Å; L53-M104 PolarHBondContact N-O 2.92Å
54V94.4Very high95.5Very high122 Ų12231.4 Ų31.474%0.73918%0.177SC*.SBendtrans-100.8-45.9-178.9-176.50000110.8M104V54-M104 WeakPolarHBondContact CA-O 3.17Å; V54-M104 VanDerWaalsContact CB-O 3.25Å; V54-M104 WeakPolarHBondContact CB-O 3.29Å; V54-M104 HydrophobicContact CG2-CE 4.41Å; V54-M104 PolarHBondContact N-O 3.37Å
55A94.4Very high95.3Very high31 Ų3139.6 Ų39.626%0.25622%0.215SC..  trans-144.8154.618000000111.7G52 L77 G105G52-A55 WeakPolarHBondContact CA-O 3.5Å; G52-A55 PolarHBondContact N-O 2.95Å; A55-L77 HydrophobicContact CB-CD2 4.21Å; A55-G105 WeakPolarHBondContact O-CA 3.48Å
56D95.3Very high95.2Very high32 Ų3241.2 Ų41.217%0.17122%0.224CC..PPolyproline II helixtrans-94.4142.7176.9-62.1-25.9000110.9R49 I50 L51 G52 Y58R49-D56 WeakPolarHBondContact CD-OD2 3.45Å; R49-D56 HydrophobicContact CG-CB 3.8Å; R49-D56 IonicContact CZ-OD2 3.59Å; R49-D56 IonicContact NE-OD2 3.77Å; R49-D56 IonicContact NH1-OD2 2.81Å; R49-D56 PolarHBondContact NH1-OD2 3.32Å; I50-D56 CarbonylContact O-C 3.55Å; I50-D56 WeakPolarHBondContact O-CA 3.24Å; L51-D56 WeakPolarHBondContact CA-OD1 3.32Å; L51-D56 WeakPolarHBondContact CD2-OD1 3.31Å; G52-D56 PolarHBondContact N-OD1 3.39Å; D56-Y58 HydrophobicContact CB-CE2 3.95Å; D56-Y58 WeakPolarHBondContact O-CE2 3.39Å
57Y97.2Very high95.1Very high0 Ų041.4 Ų41.40%023%0.225CC..EExtended strand (participates in β ladder)trans-89.3131169.1-64.8-82.6000111.1R49 I50 Y75 L77 F103 D106 P107 E136 L140R49-Y57 CarbonylContact C-O 3.58Å; R49-Y57 WeakPolarHBondContact CA-O 3.26Å; R49-Y57 WeakPolarHBondContact CG-O 3.44Å; I50-Y57 PolarHBondContact N-O 3.39Å; I50-Y57 PolarHBondContact O-N 2.99Å; Y57-Y75 AromaticContact CD1-CD2 3.89Å; Y57-Y75 HydrophobicContact CD1-CD2 3.89Å; Y57-Y75 HydrophobicContact CD1-CG 4.4Å; Y57-Y75 HydrophobicContact CE1-CD2 4.1Å; Y57-Y75 HydrophobicContact CE1-CE2 4.38Å; Y57-L77 HydrophobicContact CD1-CD2 3.65Å; Y57-L77 HydrophobicContact CE1-CD2 3.67Å; Y57-L77 HydrophobicContact CG-CD2 4.25Å; Y57-F103 HydrophobicContact CD2-CD1 4.37Å; Y57-F103 HydrophobicContact CE2-CB 4.26Å; Y57-F103 AromaticContact CE2-CD1 3.9Å; Y57-F103 HydrophobicContact CE2-CD1 3.9Å; Y57-F103 HydrophobicContact CE2-CG 4.4Å; Y57-D106 PolarHBondContact OH-N 3.19Å; Y57-D106 VanDerWaalsContact OH-N 3.08Å; Y57-D106 PolarHBondContact OH-O 2.92Å; Y57-P107 HydrophobicContact CE1-CG 4.03Å; Y57-P107 WeakPolarHBondContact OH-CD 3.48Å; Y57-P107 VanDerWaalsContact OH-N 3.08Å; Y57-E136 VanDerWaalsContact CE2-OE1 3.25Å; Y57-E136 WeakPolarHBondContact CE2-OE1 3.37Å; Y57-E136 PolarHBondContact OH-OE1 2.81Å; Y57-L140 HydrophobicContact CD1-CD2 3.61Å; Y57-L140 HydrophobicContact CD2-CD1 4.17Å; Y57-L140 HydrophobicContact CE1-CD2 3.85Å; Y57-L140 HydrophobicContact CG-CD1 4.08Å; Y57-L140 HydrophobicContact CG-CD2 4Å
58Y96.9Very high95Very high2 Ų239.6 Ų39.61%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-103.9124.4171.6-64-95.7000108.1L20 R24 F46 R49 D56 Y75 S76 C79 W82L20-Y58 HydrophobicContact CD2-CD1 4.5Å; L20-Y58 HydrophobicContact CD2-CE1 3.61Å; R24-Y58 WeakPolarHBondContact CD-OH 3.43Å; R24-Y58 PolarHBondContact NE-OH 3.43Å; R24-Y58 VanDerWaalsContact NH1-CZ 3.29Å; R24-Y58 PolarHBondContact NH1-OH 3.12Å; R24-Y58 VanDerWaalsContact NH1-OH 3.16Å; F46-Y58 HydrophobicContact CE2-CD1 4.31Å; F46-Y58 HydrophobicContact CZ-CD1 4.15Å; R49-Y58 WeakPolarHBondContact CD-OH 3.48Å; R49-Y58 HydrophobicContact CG-CD1 4.42Å; R49-Y58 HydrophobicContact CG-CE1 4.17Å; D56-Y58 HydrophobicContact CB-CE2 3.95Å; D56-Y58 WeakPolarHBondContact O-CE2 3.39Å; Y58-Y75 CarbonylContact O-C 3.51Å; Y58-Y75 VanDerWaalsContact O-CA 3.26Å; Y58-Y75 WeakPolarHBondContact O-CA 3.41Å; Y58-S76 WeakPolarHBondContact CD2-O 3.48Å; Y58-S76 PolarHBondContact N-O 3.01Å; Y58-S76 PolarHBondContact O-N 2.75Å; Y58-C79 WeakPolarHBondContact CD1-SG 3.15Å; Y58-C79 WeakPolarHBondContact CE1-SG 3.37Å; Y58-W82 WeakPolarHBondContact O-CZ3 3.29Å
59I98Very high94.9Very high0 Ų040 Ų400%022%0.222CC..EExtended strand (participates in β ladder)trans-111133.4-173.2-51.8-59.2000109.8F46 W47 G48 I50 T73 L74 L140 V144F46-I59 VanDerWaalsContact CD2-O 3.29Å; F46-I59 WeakPolarHBondContact CD2-O 3.16Å; W47-I59 HydrophobicContact CB-CB 3.89Å; W47-I59 HydrophobicContact CB-CG2 3.73Å; W47-I59 WeakPolarHBondContact CB-O 3.35Å; W47-I59 HydrophobicContact CD2-CB 4.05Å; W47-I59 HydrophobicContact CD2-CG2 4.07Å; W47-I59 HydrophobicContact CE3-CB 3.68Å; W47-I59 HydrophobicContact CE3-CG1 3.88Å; W47-I59 HydrophobicContact CE3-CG2 4.19Å; W47-I59 HydrophobicContact CG-CB 4.18Å; W47-I59 HydrophobicContact CG-CG2 3.91Å; W47-I59 HydrophobicContact CZ3-CG1 4.23Å; W47-I59 PolarHBondContact N-O 2.71Å; G48-I59 PolarHBondContact N-O 2.67Å; G48-I59 PolarHBondContact O-N 3.27Å; I50-I59 HydrophobicContact CD1-CG1 4.38Å; I59-T73 HydrophobicContact CG2-CG2 3.59Å; I59-L74 WeakPolarHBondContact CA-O 3.17Å; I59-L140 HydrophobicContact CD1-CD1 4.21Å; I59-L140 HydrophobicContact CD1-CD2 4.24Å; I59-L140 HydrophobicContact CD1-CG 4.44Å; I59-V144 HydrophobicContact CD1-CG2 4.33Å; I59-V144 HydrophobicContact CG1-CG2 4.18Å; I59-V144 HydrophobicContact CG2-CG1 4.21Å; I59-V144 HydrophobicContact CG2-CG2 4.3Å
60A97.8Very high94.8Very high0 Ų042.6 Ų42.60%025%0.247CC..EExtended strand (participates in β ladder)trans-128.4150.6172.500000110L32 V44 L45 T73 L74 W82L32-A60 HydrophobicContact CD2-CB 3.48Å; L32-A60 VanDerWaalsContact CD2-CB 3.48Å; V44-A60 HydrophobicContact CG1-CB 4.46Å; L45-A60 CarbonylContact O-C 3.52Å; L45-A60 VanDerWaalsContact O-CA 3.31Å; L45-A60 WeakPolarHBondContact O-CA 3.15Å; A60-T73 CarbonylContact O-C 3.42Å; A60-T73 WeakPolarHBondContact O-CA 3.43Å; A60-L74 PolarHBondContact N-O 3.15Å; A60-L74 PolarHBondContact O-N 2.78Å; A60-W82 HydrophobicContact CB-CE3 3.97Å; A60-W82 HydrophobicContact CB-CH2 3.58Å; A60-W82 HydrophobicContact CB-CZ2 4.38Å; A60-W82 HydrophobicContact CB-CZ3 3.34Å
61Q97.5Very high94.8Very high4 Ų443.9 Ų43.92%0.01925%0.251CS..EExtended strand (participates in β ladder)trans-128.8124180-64.8-168.6-47.800110.2V44 L45 W47 R71 K72 T73 D148V44-Q61 CarbonylContact C-O 3.55Å; V44-Q61 WeakPolarHBondContact CA-O 3.26Å; L45-Q61 PolarHBondContact N-O 2.78Å; L45-Q61 PolarHBondContact O-N 2.77Å; W47-Q61 HydrophobicContact CB-CG 4.38Å; Q61-R71 HydrophobicContact CB-CB 4.35Å; Q61-R71 VanDerWaalsContact OE1-CD 3.25Å; Q61-R71 VanDerWaalsContact OE1-NH1 3.08Å; Q61-K72 CarbonylContact C-O 3.53Å; Q61-K72 WeakPolarHBondContact CA-O 3.3Å; Q61-T73 HydrophobicContact CG-CG2 4.38Å; Q61-T73 PolarHBondContact NE2-OG1 2.97Å; Q61-D148 PolarHBondContact NE2-OD2 3.27Å; Q61-D148 PolarHBondContact OE1-OD2 3.18Å
62G96.9Very high94.9Very high2 Ų244.5 Ų44.52%0.02125%0.25CC..EExtended strand (participates in β ladder)trans-90.3131.6171.200000111.3K72G62-K72 PolarHBondContact N-O 3.29Å; G62-K72 PolarHBondContact O-N 2.73Å
63L95.3Very high95Very high2 Ų244.8 Ų44.81%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-109.2146.8175.3-67.780.3000110A42 R43 L45 R71 F190A42-L63 PolarHBondContact N-O 2.79Å; R43-L63 HydrophobicContact CB-CB 4.35Å; R43-L63 PolarHBondContact N-O 3.03Å; R43-L63 PolarHBondContact O-N 2.96Å; L45-L63 HydrophobicContact CB-CD1 4.42Å; L45-L63 HydrophobicContact CD1-CD1 3.61Å; L45-L63 HydrophobicContact CD1-CD2 4.34Å; L45-L63 HydrophobicContact CG-CD1 3.58Å; L63-R71 HydrophobicContact CG-CG 4.3Å; L63-F190 HydrophobicContact CD2-CZ 4.01Å
64S93.4Very high95.2Very high56 Ų5639.9 Ų39.939%0.39222%0.222SC..  trans-81.8-171.9167.663.40000110.3D66 Q67 A69S64-D66 VanDerWaalsContact C-N 3.29Å; S64-D66 PolarHBondContact O-N 3.11Å; S64-D66 PolarHBondContact OG-O 2.89Å; S64-Q67 PolarHBondContact O-NE2 3.16Å; S64-A69 WeakPolarHBondContact OG-CB 3.23Å
65E92.3Very high95.4Very high173 Ų17335.1 Ų35.181%0.80819%0.191SC*.SBendtrans-61.1-40.3177-63.6-172.5163.900111.9A42 Q67A42-E65 HydrophobicContact CB-CG 4.4Å; E65-Q67 PolarHBondContact O-N 2.9Å; E65-Q67 PolarHBondContact O-NE2 2.82Å
66D94.7Very high95.6Very high52 Ų5233.7 Ų33.728%0.27818%0.18SC..SBendtrans-75.2111.9172-173.6-1000110.1S64 L68 A69 T167S64-D66 VanDerWaalsContact C-N 3.29Å; S64-D66 PolarHBondContact O-N 3.11Å; S64-D66 PolarHBondContact OG-O 2.89Å; D66-L68 PolarHBondContact O-N 2.96Å; D66-L68 PolarHBondContact OD1-N 2.75Å; D66-A69 HydrophobicContact CB-CB 3.98Å; D66-A69 WeakPolarHBondContact O-CB 3.39Å; D66-A69 PolarHBondContact O-N 2.82Å; D66-A69 VanDerWaalsContact O-N 3.15Å; D66-T167 WeakPolarHBondContact OD1-CA 3.39Å; D66-T167 WeakPolarHBondContact OD1-CB 3.5Å; D66-T167 PolarHBondContact OD1-N 3.08Å; D66-T167 PolarHBondContact OD1-OG1 3.01Å
67Q93.1Very high95.6Very high12 Ų1235 Ų356%0.05619%0.186CC..THydrogen-bonded Turntrans-67.4-18-172.9-60.6-56.5-71.600113.8S64 E65 L159 T167 V169 F190S64-Q67 PolarHBondContact O-NE2 3.16Å; E65-Q67 PolarHBondContact O-N 2.9Å; E65-Q67 PolarHBondContact O-NE2 2.82Å; Q67-L159 HydrophobicContact CB-CD1 4.06Å; Q67-L159 HydrophobicContact CB-CD2 4.04Å; Q67-L159 HydrophobicContact CG-CD2 3.95Å; Q67-T167 HydrophobicContact CB-CG2 4.33Å; Q67-T167 PolarHBondContact N-O 3.16Å; Q67-V169 HydrophobicContact CG-CG2 3.87Å; Q67-F190 WeakPolarHBondContact O-CE2 3.26Å; Q67-F190 WeakPolarHBondContact O-CZ 3.21Å
68L92.3Very high95.5Very high23 Ų2338 Ų3812%0.1220%0.202CC..THydrogen-bonded Turntrans-101.7-2.7176-82.2-171.4000114.3D66 T167 F190 F213 M214D66-L68 PolarHBondContact O-N 2.96Å; D66-L68 PolarHBondContact OD1-N 2.75Å; L68-T167 HydrophobicContact CD1-CG2 4.49Å; L68-T167 HydrophobicContact CG-CG2 4.21Å; L68-F190 HydrophobicContact CD2-CD2 3.67Å; L68-F190 HydrophobicContact CD2-CE2 3.77Å; L68-F213 HydrophobicContact CD1-CD2 4.01Å; L68-F213 HydrophobicContact CD1-CE2 3.55Å; L68-F213 HydrophobicContact CG-CE2 4.47Å; L68-M214 HydrophobicContact CD1-CG 4.08Å; L68-M214 HydrophobicContact CD1-SD 4.18Å; L68-M214 HydrophobicContact CD2-SD 4.2Å
69A92.4Very high95.4Very high23 Ų2337.9 Ų37.919%0.1920%0.202CC..SBendtrans-62.1157.1175.500000111.5S64 D66 R71S64-A69 WeakPolarHBondContact OG-CB 3.23Å; D66-A69 HydrophobicContact CB-CB 3.98Å; D66-A69 WeakPolarHBondContact O-CB 3.39Å; D66-A69 PolarHBondContact O-N 2.82Å; D66-A69 VanDerWaalsContact O-N 3.15Å; A69-R71 PolarHBondContact O-N 2.95Å
70P91.2Very high95.2Very high124 Ų12441.3 Ų41.381%0.80522%0.223SC*.PPolyproline II helixtrans-51.6124.9177.9-28.135.2000112.1
71R93.8Very high95.1Very high47 Ų4747.9 Ų47.918%0.17725%0.254CS..PPolyproline II helixtrans-77.5145.7-179.1-54.9-179.1-170.5148.211.9109.9Q61 L63 A69 D148 F190Q61-R71 HydrophobicContact CB-CB 4.35Å; Q61-R71 VanDerWaalsContact OE1-CD 3.25Å; Q61-R71 VanDerWaalsContact OE1-NH1 3.08Å; L63-R71 HydrophobicContact CG-CG 4.3Å; A69-R71 PolarHBondContact O-N 2.95Å; R71-D148 IonicContact NH1-OD1 3.83Å; R71-D148 IonicContact NH1-OD2 3.59Å; R71-F190 VanDerWaalsContact NH2-CG 3.34Å; R71-F190 PolarHBondContact NH2-O 2.99Å
72K96.6Very high95.1Very high109 Ų10949.1 Ų49.147%0.47426%0.258SS..EExtended strand (participates in β ladder)trans-91.8115.2167-66.4-163.4-167.7172.60108.9F41 Q61 G62 L84F41-K72 HydrophobicContact CE1-CB 3.74Å; F41-K72 HydrophobicContact CE1-CD 3.76Å; F41-K72 HydrophobicContact CE1-CG 3.98Å; F41-K72 HydrophobicContact CZ-CB 3.63Å; F41-K72 HydrophobicContact CZ-CD 3.98Å; F41-K72 HydrophobicContact CZ-CG 4.26Å; Q61-K72 CarbonylContact C-O 3.53Å; Q61-K72 WeakPolarHBondContact CA-O 3.3Å; G62-K72 PolarHBondContact N-O 3.29Å; G62-K72 PolarHBondContact O-N 2.73Å; K72-L84 HydrophobicContact CB-CD1 3.96Å; K72-L84 HydrophobicContact CD-CD1 4.39Å
73T97.9Very high95.2Very high23 Ų2351.6 Ų51.614%0.14128%0.275CS..EExtended strand (participates in β ladder)trans-92.2133.5-179.4-55.80000110I59 A60 Q61 L85 V144I59-T73 HydrophobicContact CG2-CG2 3.59Å; A60-T73 CarbonylContact O-C 3.42Å; A60-T73 WeakPolarHBondContact O-CA 3.43Å; Q61-T73 HydrophobicContact CG-CG2 4.38Å; Q61-T73 PolarHBondContact NE2-OG1 2.97Å; T73-L85 HydrophobicContact CG2-CD1 3.82Å; T73-L85 WeakPolarHBondContact O-CB 3.44Å; T73-L85 PolarHBondContact O-N 3.26Å; T73-V144 HydrophobicContact CG2-CG1 3.96Å
74L98.3Very high95.3Very high0 Ų055.2 Ų55.20%029%0.294CS..EExtended strand (participates in β ladder)trans-121.8147.5174.2-57.692.9000109.4V35 Y39 F41 I59 A60 W82 S83 L84V35-L74 HydrophobicContact CG1-CD1 4.19Å; V35-L74 HydrophobicContact CG1-CD2 4.04Å; Y39-L74 HydrophobicContact CD2-CD2 4.11Å; Y39-L74 HydrophobicContact CE1-CD2 4.42Å; Y39-L74 HydrophobicContact CE2-CD2 3.57Å; F41-L74 HydrophobicContact CE2-CD1 3.92Å; F41-L74 HydrophobicContact CZ-CD1 4.18Å; I59-L74 WeakPolarHBondContact CA-O 3.17Å; A60-L74 PolarHBondContact N-O 3.15Å; A60-L74 PolarHBondContact O-N 2.78Å; L74-W82 HydrophobicContact CB-CB 4.38Å; L74-W82 HydrophobicContact CB-CE3 3.78Å; L74-W82 HydrophobicContact CD2-CB 3.94Å; L74-S83 CarbonylContact C-O 3.59Å; L74-S83 WeakPolarHBondContact CA-O 3.34Å; L74-S83 WeakPolarHBondContact CB-O 3.47Å; L74-L84 HydrophobicContact CG-CD1 4.13Å
75Y98.2Very high95.5Very high22 Ų2253 Ų539%0.08628%0.278CS..EExtended strand (participates in β ladder)trans-117.2157.5169.775.8-86.8000111.7Y57 Y58 W82 S83 L85 P107 E137 L140Y57-Y75 AromaticContact CD1-CD2 3.89Å; Y57-Y75 HydrophobicContact CD1-CD2 3.89Å; Y57-Y75 HydrophobicContact CD1-CG 4.4Å; Y57-Y75 HydrophobicContact CE1-CD2 4.1Å; Y57-Y75 HydrophobicContact CE1-CE2 4.38Å; Y58-Y75 CarbonylContact O-C 3.51Å; Y58-Y75 VanDerWaalsContact O-CA 3.26Å; Y58-Y75 WeakPolarHBondContact O-CA 3.41Å; Y75-W82 WeakPolarHBondContact O-CA 3.18Å; Y75-S83 VanDerWaalsContact CE1-CB 3.41Å; Y75-S83 PolarHBondContact N-O 3.41Å; Y75-S83 PolarHBondContact O-N 2.99Å; Y75-L85 HydrophobicContact CD1-CD1 4.34Å; Y75-L85 HydrophobicContact CD1-CD2 3.36Å; Y75-L85 HydrophobicContact CD1-CG 3.71Å; Y75-L85 HydrophobicContact CE1-CD2 3.57Å; Y75-L85 HydrophobicContact CE1-CG 4.34Å; Y75-L85 HydrophobicContact CG-CD2 4.47Å; Y75-P107 HydrophobicContact CE2-CB 4.43Å; Y75-P107 HydrophobicContact CE2-CG 3.52Å; Y75-P107 WeakPolarHBondContact OH-CG 3.42Å; Y75-E137 WeakPolarHBondContact CE1-OE1 3.41Å; Y75-E137 PolarHBondContact OH-OE1 3.1Å; Y75-L140 HydrophobicContact CD1-CD2 4.34Å; Y75-L140 HydrophobicContact CG-CD2 4.07Å
76S97.7Very high95.6Very high2 Ų247.5 Ų47.51%0.01426%0.257CS..EExtended strand (participates in β ladder)trans-144.7149.5172.1-176.70000109.7Y58 N78 C79 E81Y58-S76 WeakPolarHBondContact CD2-O 3.48Å; Y58-S76 PolarHBondContact N-O 3.01Å; Y58-S76 PolarHBondContact O-N 2.75Å; S76-N78 PolarHBondContact OG-N 2.82Å; S76-N78 PolarHBondContact OG-OD1 3.4Å; S76-N78 VanDerWaalsContact OG-OD1 3.08Å; S76-C79 WeakPolarHBondContact OG-CA 3.34Å; S76-C79 PolarHBondContact OG-N 3.21Å; S76-E81 WeakPolarHBondContact CA-O 3.4Å; S76-E81 WeakPolarHBondContact CB-O 3.37Å; S76-E81 PolarHBondContact OG-O 3.25Å
77L96.2Very high95.6Very high60 Ų6050.3 Ų50.331%0.31428%0.278SS..SBendtrans-101-23.9172.2-63.3172.8000111.9R24 A55 Y57R24-L77 PolarHBondContact NH1-O 3.13Å; R24-L77 VanDerWaalsContact NH1-O 3.15Å; A55-L77 HydrophobicContact CB-CD2 4.21Å; Y57-L77 HydrophobicContact CD1-CD2 3.65Å; Y57-L77 HydrophobicContact CE1-CD2 3.67Å; Y57-L77 HydrophobicContact CG-CD2 4.25Å
78N94.1Very high95.7Very high61 Ų6151.6 Ų51.633%0.32629%0.29SS..SBendtrans-115.2-2.6-173.257.516.1000114S76 T80 E81S76-N78 PolarHBondContact OG-N 2.82Å; S76-N78 PolarHBondContact OG-OD1 3.4Å; S76-N78 VanDerWaalsContact OG-OD1 3.08Å; N78-T80 PolarHBondContact ND2-OG1 3.49Å; N78-T80 PolarHBondContact O-N 3.43Å; N78-T80 PolarHBondContact OD1-N 2.93Å; N78-T80 PolarHBondContact OD1-OG1 2.96Å; N78-E81 PolarHBondContact ND2-OE2 3.39Å; N78-E81 PolarHBondContact OD1-N 2.87Å
79C95Very high95.9Very high0 Ų053.4 Ų53.40%030%0.302CS..SBendtrans62.917.4-174.1-46.20000114.2S27 L28 S31 Y58 S76S27-C79 CarbonylContact C-O 3.45Å; L28-C79 HydrophobicContact CB-CB 4.25Å; L28-C79 HydrophobicContact CD1-CB 4.46Å; S31-C79 VanDerWaalsContact CB-O 3.25Å; S31-C79 WeakPolarHBondContact CB-O 3.44Å; S31-C79 PolarHBondContact OG-O 3.36Å; Y58-C79 WeakPolarHBondContact CD1-SG 3.15Å; Y58-C79 WeakPolarHBondContact CE1-SG 3.37Å; S76-C79 WeakPolarHBondContact OG-CA 3.34Å; S76-C79 PolarHBondContact OG-N 3.21Å
80T94.6Very high95.9Very high72 Ų7260.3 Ų60.344%0.44233%0.331SS..SBendtrans-123.3-45179.252.60000111.8N78N78-T80 PolarHBondContact ND2-OG1 3.49Å; N78-T80 PolarHBondContact O-N 3.43Å; N78-T80 PolarHBondContact OD1-N 2.93Å; N78-T80 PolarHBondContact OD1-OG1 2.96Å
81E96Very high95.9Very high139 Ų13960.9 Ų60.965%0.6532%0.323SS*.  trans-102.1130.5179.8-65.5167.1166.400109.4S76 N78S76-E81 WeakPolarHBondContact CA-O 3.4Å; S76-E81 WeakPolarHBondContact CB-O 3.37Å; S76-E81 PolarHBondContact OG-O 3.25Å; N78-E81 PolarHBondContact ND2-OE2 3.39Å; N78-E81 PolarHBondContact OD1-N 2.87Å
82W97.8Very high95.8Very high30 Ų3060.3 Ų60.311%0.11432%0.323CS..  trans-121.2127.8-174.1-67.488.6000110.7L28 S31 L32 V35 Y58 A60 L74 Y75L28-W82 HydrophobicContact CD1-CH2 3.96Å; L28-W82 HydrophobicContact CD1-CZ2 3.64Å; S31-W82 PolarHBondContact OG-NE1 3.26Å; L32-W82 HydrophobicContact CD2-CH2 3.84Å; L32-W82 HydrophobicContact CD2-CZ2 3.52Å; L32-W82 HydrophobicContact CG-CZ2 4.2Å; V35-W82 HydrophobicContact CG2-CB 3.9Å; V35-W82 HydrophobicContact CG2-CD2 4.12Å; V35-W82 HydrophobicContact CG2-CG 3.5Å; Y58-W82 WeakPolarHBondContact O-CZ3 3.29Å; A60-W82 HydrophobicContact CB-CE3 3.97Å; A60-W82 HydrophobicContact CB-CH2 3.58Å; A60-W82 HydrophobicContact CB-CZ2 4.38Å; A60-W82 HydrophobicContact CB-CZ3 3.34Å; L74-W82 HydrophobicContact CB-CB 4.38Å; L74-W82 HydrophobicContact CB-CE3 3.78Å; L74-W82 HydrophobicContact CD2-CB 3.94Å; Y75-W82 WeakPolarHBondContact O-CA 3.18Å
83S97.8Very high95.6Very high54 Ų5456.7 Ų56.738%0.37831%0.313SS..EExtended strand (participates in β ladder)trans-107.8132.6176.2-660000109.5L74 Y75L74-S83 CarbonylContact C-O 3.59Å; L74-S83 WeakPolarHBondContact CA-O 3.34Å; L74-S83 WeakPolarHBondContact CB-O 3.47Å; Y75-S83 VanDerWaalsContact CE1-CB 3.41Å; Y75-S83 PolarHBondContact N-O 3.41Å; Y75-S83 PolarHBondContact O-N 2.99Å
84L97.7Very high95.2Very high78 Ų7861.6 Ų61.641%0.40834%0.336SS..EExtended strand (participates in β ladder)trans-76.7128.7177.8-178.870.4000109.8Y39 K72 L74Y39-L84 HydrophobicContact CE1-CB 4.46Å; Y39-L84 HydrophobicContact CE1-CD2 4.44Å; K72-L84 HydrophobicContact CB-CD1 3.96Å; K72-L84 HydrophobicContact CD-CD1 4.39Å; L74-L84 HydrophobicContact CG-CD1 4.13Å
85L97.1Very high94.7Very high10 Ų1065.2 Ų65.25%0.05235%0.353CS..PPolyproline II helixtrans-83.3145.2171.6-72.2179.4000111.3T73 Y75 E137 L140 V141T73-L85 HydrophobicContact CG2-CD1 3.82Å; T73-L85 WeakPolarHBondContact O-CB 3.44Å; T73-L85 PolarHBondContact O-N 3.26Å; Y75-L85 HydrophobicContact CD1-CD1 4.34Å; Y75-L85 HydrophobicContact CD1-CD2 3.36Å; Y75-L85 HydrophobicContact CD1-CG 3.71Å; Y75-L85 HydrophobicContact CE1-CD2 3.57Å; Y75-L85 HydrophobicContact CE1-CG 4.34Å; Y75-L85 HydrophobicContact CG-CD2 4.47Å; L85-E137 HydrophobicContact CD2-CG 3.74Å; L85-L140 HydrophobicContact CD1-CD2 4.18Å; L85-L140 HydrophobicContact CD1-CG 4.25Å; L85-L140 HydrophobicContact CD2-CD2 4.41Å; L85-V141 HydrophobicContact CB-CG2 3.93Å; L85-V141 HydrophobicContact CD1-CG2 4.08Å; L85-V141 HydrophobicContact CD2-CG2 3.79Å; L85-V141 HydrophobicContact CG-CG2 4.13Å
86P96Very high94.2Very high56 Ų5664.4 Ų64.436%0.36435%0.35SS..PPolyproline II helixtrans-65.4157.8168.529.8-33.6000110.6M92 V141P86-M92 HydrophobicContact CG-CE 4.3Å; P86-V141 HydrophobicContact CG-CG2 4.02Å; P86-V141 WeakPolarHBondContact O-CG1 3.4Å
87P94.4Very high93.8Very high112 Ų11267.8 Ų67.873%0.72738%0.378SS*.PPolyproline II helixtrans-63.5143.7172.928.4-34.4000110.5
88A95.1Very high93.3Very high38 Ų3867.7 Ų67.731%0.31438%0.378SS..PPolyproline II helixtrans-66.2135.4177.300000111.2V141 D145A88-V141 HydrophobicContact CB-CG1 3.72Å; A88-D145 HydrophobicContact CB-CB 3.55Å
89T95.1Very high92.9Very high61 Ų6165.4 Ų65.437%0.37437%0.366SS..  trans-113.8159.2171.971.50000110.6E91 M92 A93T89-E91 PolarHBondContact O-N 2.9Å; T89-M92 PolarHBondContact O-N 3.36Å; T89-M92 VanDerWaalsContact OG1-CG 3.31Å; T89-M92 WeakPolarHBondContact OG1-CG 3.14Å; T89-M92 PolarHBondContact OG1-N 3.24Å; T89-A93 PolarHBondContact O-N 3.31Å; T89-A93 VanDerWaalsContact O-N 3.17Å
90E92.8Very high92.4Very high169 Ų16972.5 Ų72.579%0.7940%0.404SS*.Hα-helixtrans-61.7-33.6176.3-65.5-176.6175.200111.9A93 M94E90-A93 WeakPolarHBondContact O-CB 3.25Å; E90-A93 PolarHBondContact O-N 3.47Å; E90-A93 VanDerWaalsContact O-N 3.17Å; E90-M94 WeakPolarHBondContact O-CG 3.39Å; E90-M94 PolarHBondContact O-N 3.46Å
91E91.1Very high92.1Very high136 Ų13671.7 Ų71.764%0.63641%0.41SS*.Hα-helixtrans-60.3-45.8174.3-63.6174.5-179.700111.8T89 A93 M94 Q95T89-E91 PolarHBondContact O-N 2.9Å; E91-A93 VanDerWaalsContact C-N 3.25Å; E91-A93 PolarHBondContact O-N 2.99Å; E91-M94 HydrophobicContact CG-CE 4.39Å; E91-M94 PolarHBondContact O-N 3.29Å; E91-Q95 WeakPolarHBondContact O-CG 3.37Å; E91-Q95 PolarHBondContact O-N 3.3Å
92M93Very high91.9Very high35 Ų3574.3 Ų74.317%0.17241%0.414CS..Hα-helixtrans-62.3-35.7175.9-64180174.700111.6P86 T89 T96 T138 V141P86-M92 HydrophobicContact CG-CE 4.3Å; T89-M92 PolarHBondContact O-N 3.36Å; T89-M92 VanDerWaalsContact OG1-CG 3.31Å; T89-M92 WeakPolarHBondContact OG1-CG 3.14Å; T89-M92 PolarHBondContact OG1-N 3.24Å; M92-T96 WeakPolarHBondContact O-CB 3.45Å; M92-T96 PolarHBondContact O-N 2.99Å; M92-T96 PolarHBondContact O-OG1 3.24Å; M92-T138 HydrophobicContact CB-CG2 3.76Å; M92-T138 HydrophobicContact CE-CG2 4.5Å; M92-T138 HydrophobicContact CG-CG2 3.51Å; M92-T138 HydrophobicContact SD-CG2 4.07Å; M92-V141 HydrophobicContact SD-CB 4.42Å; M92-V141 HydrophobicContact SD-CG1 4.04Å
93A91.6Very high91.8Very high33 Ų3373.5 Ų73.527%0.27341%0.411SS..Hα-helixtrans-66.4-45.4176.200000112.4T89 E90 E91 T96 A97 S142T89-A93 PolarHBondContact O-N 3.31Å; T89-A93 VanDerWaalsContact O-N 3.17Å; E90-A93 WeakPolarHBondContact O-CB 3.25Å; E90-A93 PolarHBondContact O-N 3.47Å; E90-A93 VanDerWaalsContact O-N 3.17Å; E91-A93 VanDerWaalsContact C-N 3.25Å; E91-A93 PolarHBondContact O-N 2.99Å; A93-T96 PolarHBondContact O-N 2.8Å; A93-A97 PolarHBondContact O-N 3.01Å; A93-A97 VanDerWaalsContact O-N 3.11Å; A93-S142 WeakPolarHBondContact CA-OG 3.37Å
94M90.4Very high91.7Very high125 Ų12573.7 Ų73.762%0.61641%0.407SS*.Hα-helixtrans-62.1-47.1176.5-69.9-172.9-68.700111.8E90 E91 T96 A97E90-M94 WeakPolarHBondContact O-CG 3.39Å; E90-M94 PolarHBondContact O-N 3.46Å; E91-M94 HydrophobicContact CG-CE 4.39Å; E91-M94 PolarHBondContact O-N 3.29Å; M94-T96 PolarHBondContact O-N 2.91Å; M94-A97 PolarHBondContact O-N 3.48Å
95Q87.8Confident91.6Very high76 Ų7670.3 Ų70.336%0.35539%0.391SS..Hα-helixtrans-60-47.3176.6-72.4176.4-17.700111.4E91 A97 L98 I134E91-Q95 WeakPolarHBondContact O-CG 3.37Å; E91-Q95 PolarHBondContact O-N 3.3Å; Q95-A97 PolarHBondContact O-N 3.31Å; Q95-L98 WeakPolarHBondContact O-CB 3.19Å; Q95-L98 PolarHBondContact O-N 2.81Å; Q95-L98 VanDerWaalsContact O-N 3.07Å; Q95-I134 HydrophobicContact CB-CD1 3.98Å; Q95-I134 HydrophobicContact CB-CG1 4.23Å; Q95-I134 WeakPolarHBondContact O-CD1 3.32Å
96T87.6Confident91.5Very high5 Ų573.6 Ų73.63%0.03141%0.408CS..Hα-helixtrans-62.7-30.7-177.9-620000112.9M92 A93 M94 L98 V99 R139 S142 I143M92-T96 WeakPolarHBondContact O-CB 3.45Å; M92-T96 PolarHBondContact O-N 2.99Å; M92-T96 PolarHBondContact O-OG1 3.24Å; A93-T96 PolarHBondContact O-N 2.8Å; M94-T96 PolarHBondContact O-N 2.91Å; T96-L98 PolarHBondContact O-N 3.42Å; T96-V99 PolarHBondContact O-N 2.93Å; T96-V99 VanDerWaalsContact O-N 3.1Å; T96-R139 HydrophobicContact CG2-CB 4.38Å; T96-R139 HydrophobicContact CG2-CG 3.8Å; T96-S142 WeakPolarHBondContact CB-OG 3.33Å; T96-S142 VanDerWaalsContact OG1-CB 3.26Å; T96-S142 WeakPolarHBondContact OG1-CB 3.35Å; T96-S142 PolarHBondContact OG1-OG 2.98Å; T96-I143 HydrophobicContact CG2-CD1 4.05Å; T96-I143 HydrophobicContact CG2-CG1 4.06Å
97A88.3Confident91.5Very high74 Ų7471.7 Ų71.761%0.61240%0.396SS*.Hα-helixtrans-63.6-20.7177.400000113.4A93 M94 Q95A93-A97 PolarHBondContact O-N 3.01Å; A93-A97 VanDerWaalsContact O-N 3.11Å; M94-A97 PolarHBondContact O-N 3.48Å; Q95-A97 PolarHBondContact O-N 3.31Å
98L86.4Confident91.5Very high57 Ų5770.5 Ų70.530%0.29839%0.391SS..THydrogen-bonded Turntrans-80.4-19.2177.4-55.1172000112.5Q95 T96 E115Q95-L98 WeakPolarHBondContact O-CB 3.19Å; Q95-L98 PolarHBondContact O-N 2.81Å; Q95-L98 VanDerWaalsContact O-N 3.07Å; T96-L98 PolarHBondContact O-N 3.42Å; L98-E115 VanDerWaalsContact CD1-OE1 3.31Å; L98-E115 WeakPolarHBondContact CD1-OE1 3.43Å
99V86.5Confident91.5Very high14 Ų1471.7 Ų71.79%0.08539%0.389CS..  trans-97.6116.5-176.1-177.40000110.5T96 Y111 I134T96-V99 PolarHBondContact O-N 2.93Å; T96-V99 VanDerWaalsContact O-N 3.1Å; V99-Y111 HydrophobicContact CG1-CD1 3.61Å; V99-Y111 HydrophobicContact CG1-CD2 3.99Å; V99-Y111 HydrophobicContact CG1-CE1 4.08Å; V99-Y111 HydrophobicContact CG1-CE2 4.44Å; V99-Y111 HydrophobicContact CG1-CG 3.55Å; V99-Y111 HydrophobicContact CG2-CG 4.4Å; V99-I134 HydrophobicContact CG2-CB 4.11Å; V99-I134 HydrophobicContact CG2-CD1 3.49Å; V99-I134 VanDerWaalsContact CG2-CD1 3.49Å; V99-I134 HydrophobicContact CG2-CG1 4.39Å; V99-I134 HydrophobicContact CG2-CG2 4.23Å
100N82.9Confident91.4Very high148 Ų14872.5 Ų72.579%0.79139%0.389SS*.  trans-110.6138.2174.5-67.9-61.4000110.7
101G87.9Confident91.2Very high56 Ų5665.8 Ų65.858%0.57736%0.356SS*.SBendtrans140.8-172.9175.300000113.9R139G101-R139 PolarHBondContact O-NH2 3.47Å
102R92.3Very high91Very high193 Ų19366.5 Ų66.573%0.72836%0.36SS*.  trans-82163.7174.2-65.7179.8179.6-175.31.2110.1L53 Y111 R139L53-R102 HydrophobicContact CD2-CB 4.37Å; L53-R102 HydrophobicContact CG-CB 4.18Å; R102-Y111 PolarHBondContact O-OH 3.26Å; R102-R139 PolarHBondContact O-NH1 2.99Å
103F96.2Very high90.3Very high13 Ų1367.4 Ų67.46%0.05736%0.364CS..BIsolated β-bridgetrans-74146.7167.5-79.5-95.8000109.5I50 G52 L53 Y57 E136 R139 L140 I143I50-F103 HydrophobicContact CG2-CD2 3.56Å; I50-F103 HydrophobicContact CG2-CE2 3.82Å; I50-F103 HydrophobicContact CG2-CG 4.07Å; G52-F103 CarbonylContact C-O 3.58Å; G52-F103 WeakPolarHBondContact CA-O 3.4Å; L53-F103 PolarHBondContact N-O 3.46Å; Y57-F103 HydrophobicContact CD2-CD1 4.37Å; Y57-F103 HydrophobicContact CE2-CB 4.26Å; Y57-F103 AromaticContact CE2-CD1 3.9Å; Y57-F103 HydrophobicContact CE2-CD1 3.9Å; Y57-F103 HydrophobicContact CE2-CG 4.4Å; F103-E136 HydrophobicContact CD1-CG 3.65Å; F103-E136 HydrophobicContact CE1-CG 4.08Å; F103-R139 HydrophobicContact CE1-CB 4.43Å; F103-R139 HydrophobicContact CE1-CG 3.94Å; F103-R139 HydrophobicContact CZ-CG 3.84Å; F103-L140 HydrophobicContact CE1-CB 4.07Å; F103-L140 HydrophobicContact CE1-CD1 4.03Å; F103-L140 HydrophobicContact CZ-CD1 4.33Å; F103-I143 HydrophobicContact CE2-CG1 4.42Å; F103-I143 HydrophobicContact CE2-CG2 4.46Å; F103-I143 HydrophobicContact CZ-CB 4.25Å; F103-I143 HydrophobicContact CZ-CG1 4.05Å; F103-I143 HydrophobicContact CZ-CG2 4.45Å
104M95.4Very high89.6Confident59 Ų5969.3 Ų69.329%0.29137%0.372SS..  trans-79.1-35.2172.7-66.9-57-62.400110.9L53 V54 H109 E136L53-M104 HydrophobicContact CD1-CE 4.45Å; L53-M104 HydrophobicContact CD1-SD 3.79Å; L53-M104 PolarHBondContact N-O 2.92Å; V54-M104 WeakPolarHBondContact CA-O 3.17Å; V54-M104 VanDerWaalsContact CB-O 3.25Å; V54-M104 WeakPolarHBondContact CB-O 3.29Å; V54-M104 HydrophobicContact CG2-CE 4.41Å; V54-M104 PolarHBondContact N-O 3.37Å; M104-H109 HydrophobicContact CB-CB 4.42Å; M104-H109 WeakPolarHBondContact CG-CD2 3.41Å; M104-E136 WeakPolarHBondContact CB-OE2 3.5Å; M104-E136 PolarHBondContact N-OE1 3.36Å; M104-E136 PolarHBondContact N-OE2 3.14Å
105G95.5Very high88.6Confident6 Ų666.5 Ų66.56%0.06236%0.357CS..SBendtrans94.421.6-171.300000113.3A55 E136A55-G105 WeakPolarHBondContact O-CA 3.48Å; G105-E136 PolarHBondContact N-OE1 2.8Å
106D95.9Very high87.8Confident79 Ų7968.3 Ų68.342%0.42237%0.369SS..  trans-132.3114.6174179.10000109.5Y57 S108 H109 E136Y57-D106 PolarHBondContact OH-N 3.19Å; Y57-D106 VanDerWaalsContact OH-N 3.08Å; Y57-D106 PolarHBondContact OH-O 2.92Å; D106-S108 PolarHBondContact O-N 3.15Å; D106-S108 VanDerWaalsContact O-N 3.11Å; D106-S108 WeakPolarHBondContact OD1-CB 3.43Å; D106-S108 PolarHBondContact OD1-N 3.37Å; D106-H109 HydrophobicContact CB-CB 4.25Å; D106-H109 VanDerWaalsContact O-CB 3.28Å; D106-H109 WeakPolarHBondContact O-CB 3.5Å; D106-H109 PolarHBondContact O-N 2.98Å; D106-E136 PolarHBondContact N-OE1 3.27Å; D106-E136 WeakPolarHBondContact O-CB 3.42Å
107P94.8Very high87Confident17 Ų1772.6 Ų72.611%0.1139%0.388CS..THydrogen-bonded Turntrans-56.6-27.2179.2-21.927.7000114.1Y57 Y75 H109 E137Y57-P107 HydrophobicContact CE1-CG 4.03Å; Y57-P107 WeakPolarHBondContact OH-CD 3.48Å; Y57-P107 VanDerWaalsContact OH-N 3.08Å; Y75-P107 HydrophobicContact CE2-CB 4.43Å; Y75-P107 HydrophobicContact CE2-CG 3.52Å; Y75-P107 WeakPolarHBondContact OH-CG 3.42Å; P107-H109 VanDerWaalsContact C-N 3.33Å; P107-E137 HydrophobicContact CB-CB 4.1Å; P107-E137 PolarHBondContact O-N 3.2Å
108S95.1Very high86.1Confident87 Ų8776.4 Ų76.461%0.60839%0.391SS*.THydrogen-bonded Turntrans-85.2-7.1-177.4-48.30000112.9D106D106-S108 PolarHBondContact O-N 3.15Å; D106-S108 VanDerWaalsContact O-N 3.11Å; D106-S108 WeakPolarHBondContact OD1-CB 3.43Å; D106-S108 PolarHBondContact OD1-N 3.37Å
109H94.2Very high85.3Confident62 Ų6276.1 Ų76.129%0.28739%0.392SS..  trans-64.7137.9178.2-176.367.3000110.7M104 D106 P107 Y111 K135 E136M104-H109 HydrophobicContact CB-CB 4.42Å; M104-H109 WeakPolarHBondContact CG-CD2 3.41Å; D106-H109 HydrophobicContact CB-CB 4.25Å; D106-H109 VanDerWaalsContact O-CB 3.28Å; D106-H109 WeakPolarHBondContact O-CB 3.5Å; D106-H109 PolarHBondContact O-N 2.98Å; P107-H109 VanDerWaalsContact C-N 3.33Å; H109-Y111 AromaticContact CD2-CE1 3.88Å; H109-Y111 AromaticContact CD2-CE2 3.76Å; H109-Y111 AromaticContact CD2-CZ 3.61Å; H109-Y111 AromaticContact NE2-CE1 3.88Å; H109-K135 CarbonylContact O-C 3.6Å; H109-K135 WeakPolarHBondContact O-CA 3.24Å; H109-E136 HydrophobicContact CB-CB 4.13Å; H109-E136 IonicContact CD2-OE2 3.76Å; H109-E136 WeakPolarHBondContact O-CB 3.36Å; H109-E136 PolarHBondContact O-N 3.41Å
110E92.8Very high84.2Confident78 Ų7881 Ų8136%0.36442%0.417SS..EExtended strand (participates in β ladder)trans-115.8124.5-179-72177.5174.600109.6Q133 I134 K135E110-Q133 PolarHBondContact OE2-OE1 2.9Å; E110-I134 WeakPolarHBondContact CA-O 3.34Å; E110-K135 HydrophobicContact CG-CG 3.86Å; E110-K135 WeakPolarHBondContact OE1-CE 3.31Å
111Y89.2Confident83.4Confident28 Ų2881 Ų8111%0.1141%0.413CS..EExtended strand (participates in β ladder)trans-88.9131.8173-63.1-86.7000109.2V99 R102 H109 Q133 I134 E136 R139V99-Y111 HydrophobicContact CG1-CD1 3.61Å; V99-Y111 HydrophobicContact CG1-CD2 3.99Å; V99-Y111 HydrophobicContact CG1-CE1 4.08Å; V99-Y111 HydrophobicContact CG1-CE2 4.44Å; V99-Y111 HydrophobicContact CG1-CG 3.55Å; V99-Y111 HydrophobicContact CG2-CG 4.4Å; R102-Y111 PolarHBondContact O-OH 3.26Å; H109-Y111 AromaticContact CD2-CE1 3.88Å; H109-Y111 AromaticContact CD2-CE2 3.76Å; H109-Y111 AromaticContact CD2-CZ 3.61Å; H109-Y111 AromaticContact NE2-CE1 3.88Å; Y111-Q133 WeakPolarHBondContact O-CA 3.42Å; Y111-I134 WeakPolarHBondContact CD2-O 3.31Å; Y111-I134 PolarHBondContact N-O 2.83Å; Y111-I134 PolarHBondContact O-N 3Å; Y111-E136 HydrophobicContact CE2-CB 3.8Å; Y111-E136 HydrophobicContact CE2-CG 4.03Å; Y111-E136 PolarHBondContact OH-OE2 3.44Å; Y111-R139 PolarHBondContact OH-NH1 2.88Å
112E86.6Confident82.6Confident151 Ų15181.9 Ų81.971%0.70642%0.422SS*.EExtended strand (participates in β ladder)trans-91.9129.9174.9-64.2-179.116900110.2V131E112-V131 HydrophobicContact CB-CG1 4.18Å; E112-V131 HydrophobicContact CG-CG1 4.35Å
113H79.4Confident80.9Confident54 Ų5482.5 Ų82.525%0.2543%0.433CS..EExtended strand (participates in β ladder)trans-130.7127.2171.5-177.976.4000109.8V132H113-V132 PolarHBondContact N-O 3.46Å; H113-V132 PolarHBondContact O-N 3.38Å
114T76.3Confident78.7Confident74 Ų7488.5 Ų88.545%0.45446%0.459SS..EExtended strand (participates in β ladder)trans-91.3115.6177.5-49.70000109.8E129T114-E129 HydrophobicContact CG2-CB 3.86Å; T114-E129 HydrophobicContact CG2-CG 4.01Å
115E70.6Confident77.4Confident65 Ų6589.9 Ų89.930%0.30447%0.47SS..EExtended strand (participates in β ladder)trans-97.2147.6170.6-64-170.3164.900110.7L98 E129 V130 V132L98-E115 VanDerWaalsContact CD1-OE1 3.31Å; L98-E115 WeakPolarHBondContact CD1-OE1 3.43Å; E115-E129 CarbonylContact O-C 3.46Å; E115-E129 WeakPolarHBondContact O-CA 3.42Å; E115-V130 PolarHBondContact N-O 3.3Å; E115-V130 PolarHBondContact O-N 2.95Å; E115-V132 HydrophobicContact CG-CG2 3.96Å
116L70.6Confident76.4Confident114 Ų11494.8 Ų94.860%0.59749%0.49SS*.EExtended strand (participates in β ladder)trans-98.6105.9169.6-67.7168.6000108.6D127 E128 E129L116-D127 HydrophobicContact CD2-CB 4.4Å; L116-E128 CarbonylContact C-O 3.57Å; L116-E128 WeakPolarHBondContact CA-O 3.19Å; L116-E129 HydrophobicContact CD2-CB 4.49Å; L116-E129 HydrophobicContact CD2-CG 3.4Å; L116-E129 VanDerWaalsContact CD2-CG 3.4Å
117Q69.4Low75.2Confident95 Ų9595.9 Ų95.944%0.44450%0.496SS..EExtended strand (participates in β ladder)trans-92.2134.2173.7-77.5-166.810.600111.1V119 D127 E128 V130Q117-V119 PolarHBondContact O-N 2.74Å; Q117-D127 CarbonylContact O-C 3.54Å; Q117-D127 WeakPolarHBondContact O-CA 3.14Å; Q117-E128 PolarHBondContact N-O 3.5Å; Q117-E128 PolarHBondContact O-N 3.33Å; Q117-V130 HydrophobicContact CB-CG2 4.06Å; Q117-V130 HydrophobicContact CG-CG2 3.96Å
118K70.1Confident74.3Confident154 Ų154100.3 Ų100.367%0.6752%0.515SS*.EExtended strand (participates in β ladder)trans-84.7109.4173.9-78.2178.1-179.3-174.70110.3V125 F126 D127K118-V125 HydrophobicContact CB-CG1 3.86Å; K118-V125 HydrophobicContact CD-CG1 4.07Å; K118-V125 HydrophobicContact CG-CG1 3.97Å; K118-F126 CarbonylContact C-O 3.47Å; K118-F126 WeakPolarHBondContact CA-O 3.37Å; K118-D127 WeakPolarHBondContact CE-OD1 3.46Å; K118-D127 WeakPolarHBondContact CG-OD1 3.24Å
119V69.9Low73.3Confident52 Ų52103.1 Ų103.132%0.31552%0.519SS..EExtended strand (participates in β ladder)trans-98.8126.8175.4-172.40000109.3Q117 F126 E128Q117-V119 PolarHBondContact O-N 2.74Å; V119-F126 PolarHBondContact N-O 2.78Å; V119-F126 PolarHBondContact O-N 3.45Å; V119-E128 HydrophobicContact CG2-CB 3.94Å; V119-E128 WeakPolarHBondContact CG2-OE2 3.44Å
120N63.8Low72.4Confident115 Ų115102.1 Ų102.162%0.61552%0.517SS*.EExtended strand (participates in β ladder)trans-95.2105176.1-76.3-14.2000109.8V125N120-V125 WeakPolarHBondContact OD1-CG1 3.46Å; N120-V125 WeakPolarHBondContact OD1-CG2 3.44Å
121E64.9Low71.8Confident150 Ų150102.3 Ų102.370%0.70152%0.524SS*.EExtended strand (participates in β ladder)trans-103.988.3166.6-77.9-165.215400109.5K124E121-K124 PolarHBondContact N-O 2.66Å
122G71.8Confident71.5Confident74 Ų74102.5 Ų102.576%0.76353%0.527SS*.THydrogen-bonded Turntrans75.4-128.6-17900000112.9K124G122-K124 VanDerWaalsContact C-N 3.31Å
123E56.6Low71.6Confident205 Ų205100.7 Ų100.796%0.95852%0.519SS*.THydrogen-bonded Turntrans-83.2-0.1179.3-72.9-173161.600114.1
124K50.6Low72.1Confident139 Ų13998.2 Ų98.260%0.60451%0.508SS*.EExtended strand (participates in β ladder)trans-113.6132.1-178.8-67.7-179.3-176.9177.80110.9E121 G122 F126E121-K124 PolarHBondContact N-O 2.66Å; G122-K124 VanDerWaalsContact C-N 3.31Å; K124-F126 HydrophobicContact CB-CD2 4.29Å; K124-F126 HydrophobicContact CB-CE2 3.52Å; K124-F126 HydrophobicContact CB-CZ 3.68Å; K124-F126 HydrophobicContact CD-CE2 4.36Å; K124-F126 HydrophobicContact CD-CZ 3.77Å; K124-F126 HydrophobicContact CG-CZ 4.37Å
125V67.8Low73Confident88 Ų8899.6 Ų99.653%0.53351%0.507SS..EExtended strand (participates in β ladder)trans-98.4122.2172.6-170.30000107.5K118 N120K118-V125 HydrophobicContact CB-CG1 3.86Å; K118-V125 HydrophobicContact CD-CG1 4.07Å; K118-V125 HydrophobicContact CG-CG1 3.97Å; N120-V125 WeakPolarHBondContact OD1-CG1 3.46Å; N120-V125 WeakPolarHBondContact OD1-CG2 3.44Å
126F73.9Confident74.2Confident109 Ų10996.5 Ų96.548%0.47849%0.493SS..EExtended strand (participates in β ladder)trans-114.2146.3174.7-59.7-82000110K118 V119 K124K118-F126 CarbonylContact C-O 3.47Å; K118-F126 WeakPolarHBondContact CA-O 3.37Å; V119-F126 PolarHBondContact N-O 2.78Å; V119-F126 PolarHBondContact O-N 3.45Å; K124-F126 HydrophobicContact CB-CD2 4.29Å; K124-F126 HydrophobicContact CB-CE2 3.52Å; K124-F126 HydrophobicContact CB-CZ 3.68Å; K124-F126 HydrophobicContact CD-CE2 4.36Å; K124-F126 HydrophobicContact CD-CZ 3.77Å; K124-F126 HydrophobicContact CG-CZ 4.37Å
127D70.4Confident75.4Confident102 Ų10294 Ų9455%0.54548%0.478SS..EExtended strand (participates in β ladder)trans-90.2117.2170.5-62.7-41.8000108.2L116 Q117 K118L116-D127 HydrophobicContact CD2-CB 4.4Å; Q117-D127 CarbonylContact O-C 3.54Å; Q117-D127 WeakPolarHBondContact O-CA 3.14Å; K118-D127 WeakPolarHBondContact CE-OD1 3.46Å; K118-D127 WeakPolarHBondContact CG-OD1 3.24Å
128E76.3Confident76.7Confident111 Ų11190.9 Ų90.952%0.51947%0.465SS..EExtended strand (participates in β ladder)trans-101.4129.3173.5-174.3173.1-156.900109.5L116 Q117 V119 V130L116-E128 CarbonylContact C-O 3.57Å; L116-E128 WeakPolarHBondContact CA-O 3.19Å; Q117-E128 PolarHBondContact N-O 3.5Å; Q117-E128 PolarHBondContact O-N 3.33Å; V119-E128 HydrophobicContact CG2-CB 3.94Å; V119-E128 WeakPolarHBondContact CG2-OE2 3.44Å; E128-V130 HydrophobicContact CG-CG2 4.49Å; E128-V130 PolarHBondContact O-N 3.43Å
129E73.4Confident77.9Confident145 Ų14584.3 Ų84.368%0.67844%0.436SS*.EExtended strand (participates in β ladder)trans-79.6110174.8-76.2179.7-173.200110.1T114 E115 L116T114-E129 HydrophobicContact CG2-CB 3.86Å; T114-E129 HydrophobicContact CG2-CG 4.01Å; E115-E129 CarbonylContact O-C 3.46Å; E115-E129 WeakPolarHBondContact O-CA 3.42Å; L116-E129 HydrophobicContact CD2-CB 4.49Å; L116-E129 HydrophobicContact CD2-CG 3.4Å; L116-E129 VanDerWaalsContact CD2-CG 3.4Å
130V76.6Confident79.2Confident42 Ų4281.8 Ų81.826%0.25542%0.421SS..EExtended strand (participates in β ladder)trans-104.5120.1176.5-178.60000109E115 Q117 E128 V132E115-V130 PolarHBondContact N-O 3.3Å; E115-V130 PolarHBondContact O-N 2.95Å; Q117-V130 HydrophobicContact CB-CG2 4.06Å; Q117-V130 HydrophobicContact CG-CG2 3.96Å; E128-V130 HydrophobicContact CG-CG2 4.49Å; E128-V130 PolarHBondContact O-N 3.43Å; V130-V132 HydrophobicContact CG1-CG2 4.48Å; V130-V132 PolarHBondContact O-N 2.9Å
131V79.1Confident80.8Confident82 Ų8276.7 Ų76.750%0.49739%0.394SS..EExtended strand (participates in β ladder)trans-83.4114.8173.5-1770000109.1E112E112-V131 HydrophobicContact CB-CG1 4.18Å; E112-V131 HydrophobicContact CG-CG1 4.35Å
132V83Confident82.3Confident31 Ų3169.6 Ų69.619%0.18836%0.361CS..EExtended strand (participates in β ladder)trans-96129.4173.5-176.10000108.9H113 E115 V130 I134H113-V132 PolarHBondContact N-O 3.46Å; H113-V132 PolarHBondContact O-N 3.38Å; E115-V132 HydrophobicContact CG-CG2 3.96Å; V130-V132 HydrophobicContact CG1-CG2 4.48Å; V130-V132 PolarHBondContact O-N 2.9Å; V132-I134 HydrophobicContact CG1-CG1 4.22Å
133Q88.6Confident83.4Confident114 Ų11468 Ų6853%0.53334%0.335SS..EExtended strand (participates in β ladder)trans-101.2126.3175.3-70.6179.1-29.200110.2E110 Y111E110-Q133 PolarHBondContact OE2-OE1 2.9Å; Y111-Q133 WeakPolarHBondContact O-CA 3.42Å
134I91.4Very high85.3Confident2 Ų258.4 Ų58.41%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-118.1118.8-178.6-60.3165.4000108.6Q95 V99 E110 Y111 V132Q95-I134 HydrophobicContact CB-CD1 3.98Å; Q95-I134 HydrophobicContact CB-CG1 4.23Å; Q95-I134 WeakPolarHBondContact O-CD1 3.32Å; V99-I134 HydrophobicContact CG2-CB 4.11Å; V99-I134 HydrophobicContact CG2-CD1 3.49Å; V99-I134 VanDerWaalsContact CG2-CD1 3.49Å; V99-I134 HydrophobicContact CG2-CG1 4.39Å; V99-I134 HydrophobicContact CG2-CG2 4.23Å; E110-I134 WeakPolarHBondContact CA-O 3.34Å; Y111-I134 WeakPolarHBondContact CD2-O 3.31Å; Y111-I134 PolarHBondContact N-O 2.83Å; Y111-I134 PolarHBondContact O-N 3Å; V132-I134 HydrophobicContact CG1-CG1 4.22Å
135K94.6Very high87.5Confident103 Ų10354 Ų5445%0.44827%0.273SS..EExtended strand (participates in β ladder)trans-68.2142176.2-72.2-174.5176.1-172.90111.9H109 E110 E137 T138 R139H109-K135 CarbonylContact O-C 3.6Å; H109-K135 WeakPolarHBondContact O-CA 3.24Å; E110-K135 HydrophobicContact CG-CG 3.86Å; E110-K135 WeakPolarHBondContact OE1-CE 3.31Å; K135-E137 VanDerWaalsContact C-N 3.25Å; K135-E137 PolarHBondContact O-N 3.48Å; K135-T138 WeakPolarHBondContact O-CB 3.25Å; K135-T138 PolarHBondContact O-N 3.41Å; K135-T138 VanDerWaalsContact O-N 3.12Å; K135-R139 PolarHBondContact O-N 2.64Å; K135-R139 VanDerWaalsContact O-N 3.12Å
136E95.8Very high88.8Confident0 Ų053.9 Ų53.90%027%0.267CS..Hα-helixtrans-62.3-34.3176.5-174.7160.7130.100112Y57 F103 M104 G105 D106 H109 Y111 T138 R139 L140Y57-E136 VanDerWaalsContact CE2-OE1 3.25Å; Y57-E136 WeakPolarHBondContact CE2-OE1 3.37Å; Y57-E136 PolarHBondContact OH-OE1 2.81Å; F103-E136 HydrophobicContact CD1-CG 3.65Å; F103-E136 HydrophobicContact CE1-CG 4.08Å; M104-E136 WeakPolarHBondContact CB-OE2 3.5Å; M104-E136 PolarHBondContact N-OE1 3.36Å; M104-E136 PolarHBondContact N-OE2 3.14Å; G105-E136 PolarHBondContact N-OE1 2.8Å; D106-E136 PolarHBondContact N-OE1 3.27Å; D106-E136 WeakPolarHBondContact O-CB 3.42Å; H109-E136 HydrophobicContact CB-CB 4.13Å; H109-E136 IonicContact CD2-OE2 3.76Å; H109-E136 WeakPolarHBondContact O-CB 3.36Å; H109-E136 PolarHBondContact O-N 3.41Å; Y111-E136 HydrophobicContact CE2-CB 3.8Å; Y111-E136 HydrophobicContact CE2-CG 4.03Å; Y111-E136 PolarHBondContact OH-OE2 3.44Å; E136-T138 PolarHBondContact O-N 2.97Å; E136-R139 WeakPolarHBondContact O-CB 3.38Å; E136-R139 PolarHBondContact O-N 3.46Å; E136-L140 WeakPolarHBondContact O-CB 3.49Å; E136-L140 PolarHBondContact O-N 3.12Å
137E96.3Very high89.8Confident61 Ų6151.6 Ų51.629%0.28526%0.259SS..Hα-helixtrans-58.7-45.6172.7-170.4173.6-116.100111.7Y75 L85 P107 K135 R139 L140 V141Y75-E137 WeakPolarHBondContact CE1-OE1 3.41Å; Y75-E137 PolarHBondContact OH-OE1 3.1Å; L85-E137 HydrophobicContact CD2-CG 3.74Å; P107-E137 HydrophobicContact CB-CB 4.1Å; P107-E137 PolarHBondContact O-N 3.2Å; K135-E137 VanDerWaalsContact C-N 3.25Å; K135-E137 PolarHBondContact O-N 3.48Å; E137-R139 VanDerWaalsContact C-N 3.3Å; E137-R139 PolarHBondContact O-N 3.07Å; E137-L140 WeakPolarHBondContact O-CB 3.35Å; E137-L140 PolarHBondContact O-N 3.4Å; E137-L140 VanDerWaalsContact O-N 3.13Å; E137-V141 WeakPolarHBondContact O-CG2 3.44Å; E137-V141 PolarHBondContact O-N 3.37Å
138T95.5Very high90.9Very high29 Ų2947.8 Ų47.818%0.17824%0.238CC..Hα-helixtrans-60.2-42.8176.3-57.20000111.6M92 K135 E136 L140 V141 S142M92-T138 HydrophobicContact CB-CG2 3.76Å; M92-T138 HydrophobicContact CE-CG2 4.5Å; M92-T138 HydrophobicContact CG-CG2 3.51Å; M92-T138 HydrophobicContact SD-CG2 4.07Å; K135-T138 WeakPolarHBondContact O-CB 3.25Å; K135-T138 PolarHBondContact O-N 3.41Å; K135-T138 VanDerWaalsContact O-N 3.12Å; E136-T138 PolarHBondContact O-N 2.97Å; T138-L140 VanDerWaalsContact C-N 3.33Å; T138-L140 PolarHBondContact O-N 2.88Å; T138-V141 PolarHBondContact O-N 3.13Å; T138-S142 PolarHBondContact O-N 2.93Å; T138-S142 VanDerWaalsContact O-N 3.16Å
139R95.3Very high91.7Very high16 Ų1647.4 Ų47.46%0.0624%0.235CC..Hα-helixtrans-61.8-42175.1178.1175.7-178.1-136.8-5.3111.7T96 G101 R102 F103 Y111 K135 E136 E137 S142 I143T96-R139 HydrophobicContact CG2-CB 4.38Å; T96-R139 HydrophobicContact CG2-CG 3.8Å; G101-R139 PolarHBondContact O-NH2 3.47Å; R102-R139 PolarHBondContact O-NH1 2.99Å; F103-R139 HydrophobicContact CE1-CB 4.43Å; F103-R139 HydrophobicContact CE1-CG 3.94Å; F103-R139 HydrophobicContact CZ-CG 3.84Å; Y111-R139 PolarHBondContact OH-NH1 2.88Å; K135-R139 PolarHBondContact O-N 2.64Å; K135-R139 VanDerWaalsContact O-N 3.12Å; E136-R139 WeakPolarHBondContact O-CB 3.38Å; E136-R139 PolarHBondContact O-N 3.46Å; E137-R139 VanDerWaalsContact C-N 3.3Å; E137-R139 PolarHBondContact O-N 3.07Å; R139-S142 PolarHBondContact O-N 3.38Å; R139-I143 HydrophobicContact CG-CG1 4.28Å; R139-I143 WeakPolarHBondContact O-CB 3.49Å; R139-I143 VanDerWaalsContact O-CG1 3.28Å; R139-I143 WeakPolarHBondContact O-CG1 3.49Å; R139-I143 PolarHBondContact O-N 3.39Å
140L96.9Very high92.6Very high0 Ų043.3 Ų43.30%023%0.226CC..Hα-helixtrans-60.3-46.4178.1-175.165.8000111.2I50 Y57 I59 Y75 L85 F103 E136 E137 T138 S142 I143 V144I50-L140 HydrophobicContact CD1-CD1 3.57Å; Y57-L140 HydrophobicContact CD1-CD2 3.61Å; Y57-L140 HydrophobicContact CD2-CD1 4.17Å; Y57-L140 HydrophobicContact CE1-CD2 3.85Å; Y57-L140 HydrophobicContact CG-CD1 4.08Å; Y57-L140 HydrophobicContact CG-CD2 4Å; I59-L140 HydrophobicContact CD1-CD1 4.21Å; I59-L140 HydrophobicContact CD1-CD2 4.24Å; I59-L140 HydrophobicContact CD1-CG 4.44Å; Y75-L140 HydrophobicContact CD1-CD2 4.34Å; Y75-L140 HydrophobicContact CG-CD2 4.07Å; L85-L140 HydrophobicContact CD1-CD2 4.18Å; L85-L140 HydrophobicContact CD1-CG 4.25Å; L85-L140 HydrophobicContact CD2-CD2 4.41Å; F103-L140 HydrophobicContact CE1-CB 4.07Å; F103-L140 HydrophobicContact CE1-CD1 4.03Å; F103-L140 HydrophobicContact CZ-CD1 4.33Å; E136-L140 WeakPolarHBondContact O-CB 3.49Å; E136-L140 PolarHBondContact O-N 3.12Å; E137-L140 WeakPolarHBondContact O-CB 3.35Å; E137-L140 PolarHBondContact O-N 3.4Å; E137-L140 VanDerWaalsContact O-N 3.13Å; T138-L140 VanDerWaalsContact C-N 3.33Å; T138-L140 PolarHBondContact O-N 2.88Å; L140-S142 PolarHBondContact O-N 3.4Å; L140-I143 PolarHBondContact O-N 3.14Å; L140-V144 HydrophobicContact CD1-CG2 4.4Å; L140-V144 VanDerWaalsContact O-CG2 3.31Å; L140-V144 WeakPolarHBondContact O-CG2 3.42Å; L140-V144 PolarHBondContact O-N 2.9Å
141V97.3Very high93.4Very high7 Ų745.7 Ų45.74%0.04224%0.241CC..Hα-helixtrans-55.3-53176.4176.10000111.1L85 P86 A88 M92 E137 T138 V144 D145L85-V141 HydrophobicContact CB-CG2 3.93Å; L85-V141 HydrophobicContact CD1-CG2 4.08Å; L85-V141 HydrophobicContact CD2-CG2 3.79Å; L85-V141 HydrophobicContact CG-CG2 4.13Å; P86-V141 HydrophobicContact CG-CG2 4.02Å; P86-V141 WeakPolarHBondContact O-CG1 3.4Å; A88-V141 HydrophobicContact CB-CG1 3.72Å; M92-V141 HydrophobicContact SD-CB 4.42Å; M92-V141 HydrophobicContact SD-CG1 4.04Å; E137-V141 WeakPolarHBondContact O-CG2 3.44Å; E137-V141 PolarHBondContact O-N 3.37Å; T138-V141 PolarHBondContact O-N 3.13Å; V141-V144 PolarHBondContact O-N 3.15Å; V141-D145 PolarHBondContact O-N 3.16Å; V141-D145 VanDerWaalsContact O-N 3.1Å
142S96.3Very high94.1Very high2 Ų242.5 Ų42.51%0.01422%0.223CC..Hα-helixtrans-62.5-44.6-177.3177.40000112.3A93 T96 T138 R139 L140 D145 Q146A93-S142 WeakPolarHBondContact CA-OG 3.37Å; T96-S142 WeakPolarHBondContact CB-OG 3.33Å; T96-S142 VanDerWaalsContact OG1-CB 3.26Å; T96-S142 WeakPolarHBondContact OG1-CB 3.35Å; T96-S142 PolarHBondContact OG1-OG 2.98Å; T138-S142 PolarHBondContact O-N 2.93Å; T138-S142 VanDerWaalsContact O-N 3.16Å; R139-S142 PolarHBondContact O-N 3.38Å; L140-S142 PolarHBondContact O-N 3.4Å; S142-D145 PolarHBondContact O-N 2.84Å; S142-Q146 WeakPolarHBondContact O-CB 3.37Å; S142-Q146 VanDerWaalsContact O-CG 3.26Å; S142-Q146 WeakPolarHBondContact O-CG 3.49Å; S142-Q146 PolarHBondContact O-N 2.83Å; S142-Q146 PolarHBondContact OG-NE2 2.93Å
143I96Very high94.7Very high40 Ų4045.2 Ų45.221%0.20524%0.236CC..Hα-helixtrans-66.3-42.5-179.8-69.8-63.4000111.7I50 T96 F103 R139 L140 D145 Q146 I147I50-I143 HydrophobicContact CD1-CG2 4.48Å; T96-I143 HydrophobicContact CG2-CD1 4.05Å; T96-I143 HydrophobicContact CG2-CG1 4.06Å; F103-I143 HydrophobicContact CE2-CG1 4.42Å; F103-I143 HydrophobicContact CE2-CG2 4.46Å; F103-I143 HydrophobicContact CZ-CB 4.25Å; F103-I143 HydrophobicContact CZ-CG1 4.05Å; F103-I143 HydrophobicContact CZ-CG2 4.45Å; R139-I143 HydrophobicContact CG-CG1 4.28Å; R139-I143 WeakPolarHBondContact O-CB 3.49Å; R139-I143 VanDerWaalsContact O-CG1 3.28Å; R139-I143 WeakPolarHBondContact O-CG1 3.49Å; R139-I143 PolarHBondContact O-N 3.39Å; L140-I143 PolarHBondContact O-N 3.14Å; I143-D145 VanDerWaalsContact C-N 3.34Å; I143-D145 PolarHBondContact O-N 2.98Å; I143-Q146 PolarHBondContact O-N 3.34Å; I143-I147 HydrophobicContact CG2-CD1 3.65Å; I143-I147 HydrophobicContact CG2-CG1 4.37Å; I143-I147 WeakPolarHBondContact O-CB 3.43Å; I143-I147 VanDerWaalsContact O-CG1 3.24Å; I143-I147 WeakPolarHBondContact O-CG1 3.41Å; I143-I147 PolarHBondContact O-N 2.85Å
144V96.9Very high95Very high3 Ų340.7 Ų40.72%0.01822%0.215CC..Hα-helixtrans-61.7-44.6177.2172.20000110.8W47 I50 I59 T73 L140 V141 I147 D148W47-V144 HydrophobicContact CZ2-CG1 4.43Å; W47-V144 HydrophobicContact CZ2-CG2 4.48Å; I50-V144 HydrophobicContact CD1-CG2 3.88Å; I59-V144 HydrophobicContact CD1-CG2 4.33Å; I59-V144 HydrophobicContact CG1-CG2 4.18Å; I59-V144 HydrophobicContact CG2-CG1 4.21Å; I59-V144 HydrophobicContact CG2-CG2 4.3Å; T73-V144 HydrophobicContact CG2-CG1 3.96Å; L140-V144 HydrophobicContact CD1-CG2 4.4Å; L140-V144 VanDerWaalsContact O-CG2 3.31Å; L140-V144 WeakPolarHBondContact O-CG2 3.42Å; L140-V144 PolarHBondContact O-N 2.9Å; V141-V144 PolarHBondContact O-N 3.15Å; V144-I147 PolarHBondContact O-N 2.79Å; V144-D148 WeakPolarHBondContact O-CB 3.17Å; V144-D148 PolarHBondContact O-N 2.87Å
145D95.9Very high95.2Very high46 Ų4642.3 Ų42.325%0.24623%0.225CC..Hα-helixtrans-63.4-43.3177.8176.175.3000112.6A88 V141 S142 I143 D148 K149A88-D145 HydrophobicContact CB-CB 3.55Å; V141-D145 PolarHBondContact O-N 3.16Å; V141-D145 VanDerWaalsContact O-N 3.1Å; S142-D145 PolarHBondContact O-N 2.84Å; I143-D145 VanDerWaalsContact C-N 3.34Å; I143-D145 PolarHBondContact O-N 2.98Å; D145-D148 PolarHBondContact O-N 3.32Å; D145-K149 WeakPolarHBondContact O-CB 3.26Å; D145-K149 WeakPolarHBondContact O-CG 3.19Å; D145-K149 PolarHBondContact O-N 2.86Å; D145-K149 VanDerWaalsContact OD1-CE 3.25Å; D145-K149 WeakPolarHBondContact OD1-CE 3.18Å; D145-K149 IonicContact OD1-NZ 3.37Å; D145-K149 PolarHBondContact OD1-NZ 2.8Å; D145-K149 WeakPolarHBondContact OD2-CE 3.42Å; D145-K149 IonicContact OD2-NZ 2.66Å; D145-K149 PolarHBondContact OD2-NZ 2.87Å
146Q94.4Very high95.3Very high86 Ų8641.9 Ų41.940%0.40222%0.221SC..Hα-helixtrans-62.5-44.7176.6-73.9176.644.600112.1S142 I143 K149 A150S142-Q146 WeakPolarHBondContact O-CB 3.37Å; S142-Q146 VanDerWaalsContact O-CG 3.26Å; S142-Q146 WeakPolarHBondContact O-CG 3.49Å; S142-Q146 PolarHBondContact O-N 2.83Å; S142-Q146 PolarHBondContact OG-NE2 2.93Å; I143-Q146 PolarHBondContact O-N 3.34Å; Q146-K149 PolarHBondContact O-N 3.02Å; Q146-A150 WeakPolarHBondContact O-CB 3.2Å; Q146-A150 PolarHBondContact O-N 3.4Å; Q146-A150 VanDerWaalsContact O-N 3.12Å
147I95.6Very high95.3Very high61 Ų6142.4 Ų42.431%0.31323%0.226SC..Hα-helixtrans-63.6-47.6177.4-68169.1000109.5W47 I143 V144 K149 A150 V151W47-I147 HydrophobicContact CH2-CD1 3.79Å; W47-I147 HydrophobicContact CH2-CG2 4.24Å; W47-I147 HydrophobicContact CZ2-CB 3.84Å; W47-I147 HydrophobicContact CZ2-CD1 3.91Å; W47-I147 HydrophobicContact CZ2-CG1 4.49Å; W47-I147 HydrophobicContact CZ2-CG2 3.51Å; I143-I147 HydrophobicContact CG2-CD1 3.65Å; I143-I147 HydrophobicContact CG2-CG1 4.37Å; I143-I147 WeakPolarHBondContact O-CB 3.43Å; I143-I147 VanDerWaalsContact O-CG1 3.24Å; I143-I147 WeakPolarHBondContact O-CG1 3.41Å; I143-I147 PolarHBondContact O-N 2.85Å; V144-I147 PolarHBondContact O-N 2.79Å; I147-K149 VanDerWaalsContact C-N 3.31Å; I147-K149 PolarHBondContact O-N 3.45Å; I147-A150 PolarHBondContact O-N 3.02Å; I147-V151 HydrophobicContact CG2-CG2 3.5Å; I147-V151 VanDerWaalsContact CG2-CG2 3.5Å; I147-V151 WeakPolarHBondContact O-CG2 3.31Å; I147-V151 PolarHBondContact O-N 3.49Å
148D94.7Very high95.3Very high22 Ų2240.1 Ų40.112%0.11822%0.218CC..Hα-helixtrans-56.4-45.2177.8-87.4-11.8000112.6W47 Q61 R71 V144 D145 A150 A152W47-D148 PolarHBondContact NE1-OD1 3.16Å; Q61-D148 PolarHBondContact NE2-OD2 3.27Å; Q61-D148 PolarHBondContact OE1-OD2 3.18Å; R71-D148 IonicContact NH1-OD1 3.83Å; R71-D148 IonicContact NH1-OD2 3.59Å; V144-D148 WeakPolarHBondContact O-CB 3.17Å; V144-D148 PolarHBondContact O-N 2.87Å; D145-D148 PolarHBondContact O-N 3.32Å; D148-A150 PolarHBondContact O-N 3.32Å; D148-A152 WeakPolarHBondContact O-CB 3.43Å; D148-A152 PolarHBondContact O-N 3.44Å; D148-A152 VanDerWaalsContact O-N 3.16Å
149K92.6Very high95.3Very high103 Ų10338.9 Ų38.945%0.44821%0.21SC..Hα-helixtrans-63.5-27.3177.6-75.2170.6178.3166.10113D145 Q146 I147 R191D145-K149 WeakPolarHBondContact O-CB 3.26Å; D145-K149 WeakPolarHBondContact O-CG 3.19Å; D145-K149 PolarHBondContact O-N 2.86Å; D145-K149 VanDerWaalsContact OD1-CE 3.25Å; D145-K149 WeakPolarHBondContact OD1-CE 3.18Å; D145-K149 IonicContact OD1-NZ 3.37Å; D145-K149 PolarHBondContact OD1-NZ 2.8Å; D145-K149 WeakPolarHBondContact OD2-CE 3.42Å; D145-K149 IonicContact OD2-NZ 2.66Å; D145-K149 PolarHBondContact OD2-NZ 2.87Å; Q146-K149 PolarHBondContact O-N 3.02Å; I147-K149 VanDerWaalsContact C-N 3.31Å; I147-K149 PolarHBondContact O-N 3.45Å; K149-R191 WeakPolarHBondContact O-CD 3.42Å; K149-R191 PolarHBondContact O-NE 3.44Å
150A92.3Very high95.3Very high59 Ų5941 Ų4149%0.48822%0.22SC..Hα-helixtrans-95.4-35.1-175.700000114.1Q146 I147 D148Q146-A150 WeakPolarHBondContact O-CB 3.2Å; Q146-A150 PolarHBondContact O-N 3.4Å; Q146-A150 VanDerWaalsContact O-N 3.12Å; I147-A150 PolarHBondContact O-N 3.02Å; D148-A150 PolarHBondContact O-N 3.32Å
151V92.1Very high95.2Very high93 Ų9345 Ų4556%0.56424%0.237SC*.Hα-helixtrans-131-6.4-166.7-46.80000115.1I147 I153I147-V151 HydrophobicContact CG2-CG2 3.5Å; I147-V151 VanDerWaalsContact CG2-CG2 3.5Å; I147-V151 WeakPolarHBondContact O-CG2 3.31Å; I147-V151 PolarHBondContact O-N 3.49Å; V151-I153 WeakPolarHBondContact O-CG2 3.44Å; V151-I153 PolarHBondContact O-N 2.95Å; V151-I153 VanDerWaalsContact O-N 3.16Å
152A94.2Very high95.1Very high15 Ų1545.5 Ų45.512%0.12424%0.24CC..  trans-69.7116.6173.900000108.4D148 F190D148-A152 WeakPolarHBondContact O-CB 3.43Å; D148-A152 PolarHBondContact O-N 3.44Å; D148-A152 VanDerWaalsContact O-N 3.16Å; A152-F190 HydrophobicContact CB-CB 4.16Å; A152-F190 PolarHBondContact O-N 3.02Å
153I95.3Very high94.9Very high88 Ų8851.8 Ų51.845%0.45128%0.282SS..EExtended strand (participates in β ladder)trans-127157.5-176.265.6168.9000112V151 Y187 F188 L217V151-I153 WeakPolarHBondContact O-CG2 3.44Å; V151-I153 PolarHBondContact O-N 2.95Å; V151-I153 VanDerWaalsContact O-N 3.16Å; I153-Y187 HydrophobicContact CD1-CD1 4.33Å; I153-F188 CarbonylContact C-O 3.59Å; I153-F188 VanDerWaalsContact CA-O 3.26Å; I153-F188 WeakPolarHBondContact CA-O 3.21Å; I153-L217 HydrophobicContact CB-CD1 4.23Å; I153-L217 HydrophobicContact CD1-CD1 4.28Å; I153-L217 HydrophobicContact CG2-CD1 3.67Å; I153-L217 HydrophobicContact CG2-CD2 3.9Å; I153-L217 HydrophobicContact CG2-CG 4.33Å
154I95.6Very high94.6Very high18 Ų1859.2 Ų59.29%0.09231%0.313CS..EExtended strand (participates in β ladder)trans-145.8139.7178.3-162.7160.4000110.8A158 L159 Y187 F188 F190 M214I154-A158 HydrophobicContact CD1-CB 4.33Å; I154-A158 HydrophobicContact CG1-CB 4Å; I154-L159 HydrophobicContact CD1-CD1 3.51Å; I154-L159 HydrophobicContact CD1-CD2 4.12Å; I154-L159 HydrophobicContact CD1-CG 3.46Å; I154-L159 VanDerWaalsContact CD1-CG 3.46Å; I154-Y187 WeakPolarHBondContact O-CA 3.25Å; I154-F188 HydrophobicContact CG2-CB 4.31Å; I154-F188 PolarHBondContact N-O 2.94Å; I154-F188 PolarHBondContact O-N 2.66Å; I154-F190 HydrophobicContact CB-CB 4.16Å; I154-F190 HydrophobicContact CB-CG 4.34Å; I154-F190 HydrophobicContact CD1-CD2 4.29Å; I154-F190 HydrophobicContact CD1-CE2 4.4Å; I154-F190 HydrophobicContact CD1-CG 4.46Å; I154-F190 HydrophobicContact CG2-CB 4.15Å; I154-F190 HydrophobicContact CG2-CD2 4.45Å; I154-F190 HydrophobicContact CG2-CG 4.46Å; I154-M214 HydrophobicContact CG2-CE 3.69Å; I154-M214 HydrophobicContact CG2-SD 4.04Å
155P96.7Very high94.3Very high36 Ų3660.7 Ų60.723%0.23433%0.329CS..EExtended strand (participates in β ladder)trans-69.5147.9177.425.8-33000112G157 A158 F173 L176 S186 Y187P155-G157 PolarHBondContact O-N 2.95Å; P155-A158 HydrophobicContact CG-CB 3.97Å; P155-A158 WeakPolarHBondContact O-CB 3.47Å; P155-A158 PolarHBondContact O-N 2.97Å; P155-F173 HydrophobicContact CB-CE1 4.47Å; P155-F173 HydrophobicContact CB-CZ 3.94Å; P155-F173 HydrophobicContact CG-CE1 3.85Å; P155-F173 HydrophobicContact CG-CZ 3.83Å; P155-L176 HydrophobicContact CB-CD1 3.59Å; P155-L176 HydrophobicContact CB-CD2 4.17Å; P155-L176 HydrophobicContact CB-CG 3.74Å; P155-S186 WeakPolarHBondContact CA-O 3.26Å; P155-Y187 HydrophobicContact CB-CD1 4.16Å; P155-Y187 HydrophobicContact CB-CE1 4.09Å
156R95.9Very high94.1Very high94 Ų9460.1 Ų60.136%0.35533%0.33SS..THydrogen-bonded Turntrans-53131.4175-170.2168-174.1-87.3-1.1110.7A158 F173 S186 F188 D212R156-A158 VanDerWaalsContact C-N 3.3Å; R156-A158 PolarHBondContact O-N 3.1Å; R156-F173 VanDerWaalsContact O-CE2 3.28Å; R156-F173 WeakPolarHBondContact O-CE2 3.25Å; R156-S186 PolarHBondContact N-O 3.03Å; R156-F188 HydrophobicContact CB-CD2 4.12Å; R156-F188 HydrophobicContact CB-CE2 3.61Å; R156-F188 HydrophobicContact CG-CD2 4.46Å; R156-F188 HydrophobicContact CG-CE2 3.59Å; R156-F188 HydrophobicContact CG-CZ 4.38Å; R156-D212 IonicContact CZ-OD1 3.34Å; R156-D212 IonicContact CZ-OD2 3.77Å; R156-D212 IonicContact NE-OD1 2.72Å; R156-D212 PolarHBondContact NE-OD1 3.4Å; R156-D212 IonicContact NE-OD2 3.86Å; R156-D212 IonicContact NH2-OD1 3.14Å; R156-D212 PolarHBondContact NH2-OD1 3.37Å; R156-D212 VanDerWaalsContact NH2-OD1 3.14Å; R156-D212 IonicContact NH2-OD2 2.82Å; R156-D212 PolarHBondContact NH2-OD2 2.72Å
157G95.3Very high94.2Very high11 Ų1156.1 Ų56.111%0.11331%0.312CS..THydrogen-bonded Turntrans83.1-5176.200000115.5P155 L159 N170P155-G157 PolarHBondContact O-N 2.95Å; G157-L159 VanDerWaalsContact C-N 3.29Å; G157-N170 WeakPolarHBondContact O-CB 3.18Å; G157-N170 PolarHBondContact O-ND2 2.89Å
158A95.8Very high94.2Very high14 Ų1457.9 Ų57.912%0.11632%0.318CS..SBendtrans-70.4-27.917100000112.8I154 P155 R156 N170 F173I154-A158 HydrophobicContact CD1-CB 4.33Å; I154-A158 HydrophobicContact CG1-CB 4Å; P155-A158 HydrophobicContact CG-CB 3.97Å; P155-A158 WeakPolarHBondContact O-CB 3.47Å; P155-A158 PolarHBondContact O-N 2.97Å; R156-A158 VanDerWaalsContact C-N 3.3Å; R156-A158 PolarHBondContact O-N 3.1Å; A158-N170 PolarHBondContact O-N 2.63Å; A158-F173 HydrophobicContact CB-CD1 3.73Å; A158-F173 HydrophobicContact CB-CE1 3.78Å; A158-F173 HydrophobicContact CB-CG 4.2Å; A158-F173 HydrophobicContact CB-CZ 4.29Å
159L95.8Very high94.2Very high3 Ų359.8 Ų59.82%0.01633%0.331CS..EExtended strand (participates in β ladder)trans-119.3155.6168.6-58.9-178.7000109.7Q67 I154 G157 T167 Q168 V169 F190 F213Q67-L159 HydrophobicContact CB-CD1 4.06Å; Q67-L159 HydrophobicContact CB-CD2 4.04Å; Q67-L159 HydrophobicContact CG-CD2 3.95Å; I154-L159 HydrophobicContact CD1-CD1 3.51Å; I154-L159 HydrophobicContact CD1-CD2 4.12Å; I154-L159 HydrophobicContact CD1-CG 3.46Å; I154-L159 VanDerWaalsContact CD1-CG 3.46Å; G157-L159 VanDerWaalsContact C-N 3.29Å; L159-T167 HydrophobicContact CB-CG2 3.86Å; L159-T167 HydrophobicContact CD1-CG2 3.88Å; L159-T167 HydrophobicContact CG-CG2 4.36Å; L159-Q168 VanDerWaalsContact CA-O 3.29Å; L159-Q168 WeakPolarHBondContact CA-O 3.43Å; L159-V169 HydrophobicContact CD2-CB 4.36Å; L159-V169 HydrophobicContact CD2-CG2 3.94Å; L159-F190 HydrophobicContact CD1-CD2 4.1Å; L159-F190 HydrophobicContact CD1-CE2 3.64Å; L159-F190 HydrophobicContact CD1-CZ 4.46Å; L159-F213 HydrophobicContact CB-CZ 4.09Å
160F95.8Very high94.3Very high60 Ų6056.8 Ų56.826%0.26332%0.319SS..EExtended strand (participates in β ladder)trans-137.8147.9168.473.3-77.4000110.4T162 Q168 N170 S210 L211F160-T162 HydrophobicContact CD2-CG2 4.5Å; F160-T162 HydrophobicContact CE2-CG2 3.85Å; F160-T162 HydrophobicContact CZ-CG2 4.39Å; F160-Q168 HydrophobicContact CD1-CB 4.48Å; F160-Q168 HydrophobicContact CE1-CB 3.85Å; F160-Q168 HydrophobicContact CZ-CB 4.04Å; F160-Q168 PolarHBondContact N-O 3.29Å; F160-Q168 PolarHBondContact O-N 3.4Å; F160-N170 HydrophobicContact CD1-CB 4.03Å; F160-S210 CarbonylContact C-O 3.53Å; F160-S210 VanDerWaalsContact CA-O 3.24Å; F160-S210 WeakPolarHBondContact CA-O 3.48Å; F160-L211 HydrophobicContact CB-CD2 4.07Å
161K95.4Very high94.3Very high83 Ų8365.4 Ų65.436%0.36134%0.339SS..EExtended strand (participates in β ladder)trans-89.9124.7174.9-164167.3-170.9168.30109.5G165 S210 F213K161-G165 WeakPolarHBondContact CE-O 3.47Å; K161-S210 PolarHBondContact N-O 3Å; K161-S210 PolarHBondContact O-OG 3.36Å; K161-F213 HydrophobicContact CB-CB 4.48Å; K161-F213 HydrophobicContact CB-CD1 3.77Å; K161-F213 HydrophobicContact CB-CD2 4.22Å; K161-F213 HydrophobicContact CB-CE1 4.02Å; K161-F213 HydrophobicContact CB-CE2 4.41Å; K161-F213 HydrophobicContact CB-CG 3.89Å; K161-F213 HydrophobicContact CB-CZ 4.33Å; K161-F213 HydrophobicContact CD-CB 4.03Å; K161-F213 HydrophobicContact CD-CD2 4.08Å; K161-F213 HydrophobicContact CD-CG 4.03Å
162T93.9Very high94.4Very high18 Ų1866.4 Ų66.411%0.1135%0.346CS..  trans-74.1160.1176.564.90000111F160 F164 G165 A166 Q168F160-T162 HydrophobicContact CD2-CG2 4.5Å; F160-T162 HydrophobicContact CE2-CG2 3.85Å; F160-T162 HydrophobicContact CZ-CG2 4.39Å; T162-F164 PolarHBondContact O-N 3.08Å; T162-F164 VanDerWaalsContact O-N 3.11Å; T162-G165 PolarHBondContact O-N 3.49Å; T162-A166 WeakPolarHBondContact CB-O 3.37Å; T162-A166 WeakPolarHBondContact CG2-O 3.05Å; T162-A166 PolarHBondContact N-O 3.32Å; T162-A166 PolarHBondContact OG1-N 2.81Å; T162-A166 PolarHBondContact OG1-O 2.91Å; T162-Q168 HydrophobicContact CG2-CG 4.13Å
163P92Very high94.4Very high135 Ų13568.8 Ų68.888%0.87735%0.354SS*.THydrogen-bonded Turntrans-58.5-23.2173.7-25.735.4000114.1G165P163-G165 VanDerWaalsContact C-N 3.26Å; P163-G165 PolarHBondContact O-N 3.42Å
164F90.6Very high94.3Very high196 Ų19674 Ų7486%0.8638%0.376SS*.THydrogen-bonded Turntrans-83.50.9175.8-57.1-69.1000113.4T162 A166T162-F164 PolarHBondContact O-N 3.08Å; T162-F164 VanDerWaalsContact O-N 3.11Å; F164-A166 VanDerWaalsContact C-N 3.35Å; F164-A166 PolarHBondContact O-N 3.21Å
165G89.7Confident94.2Very high34 Ų3475.1 Ų75.135%0.35139%0.392SS..SBendtrans90.8-17.8176.500000115.2K161 T162 P163K161-G165 WeakPolarHBondContact CE-O 3.47Å; T162-G165 PolarHBondContact O-N 3.49Å; P163-G165 VanDerWaalsContact C-N 3.26Å; P163-G165 PolarHBondContact O-N 3.42Å
166A93.4Very high94.1Very high33 Ų3374.9 Ų74.927%0.27339%0.388SS..  trans-69.5142.5177.300000111.4T162 F164T162-A166 WeakPolarHBondContact CB-O 3.37Å; T162-A166 WeakPolarHBondContact CG2-O 3.05Å; T162-A166 PolarHBondContact N-O 3.32Å; T162-A166 PolarHBondContact OG1-N 2.81Å; T162-A166 PolarHBondContact OG1-O 2.91Å; F164-A166 VanDerWaalsContact C-N 3.35Å; F164-A166 PolarHBondContact O-N 3.21Å
167T95.8Very high94.1Very high3 Ų376.3 Ų76.32%0.01840%0.399CS..EExtended strand (participates in β ladder)trans-98128.1178.8-50.50000110.7D66 Q67 L68 L159 F213D66-T167 WeakPolarHBondContact OD1-CA 3.39Å; D66-T167 WeakPolarHBondContact OD1-CB 3.5Å; D66-T167 PolarHBondContact OD1-N 3.08Å; D66-T167 PolarHBondContact OD1-OG1 3.01Å; Q67-T167 HydrophobicContact CB-CG2 4.33Å; Q67-T167 PolarHBondContact N-O 3.16Å; L68-T167 HydrophobicContact CD1-CG2 4.49Å; L68-T167 HydrophobicContact CG-CG2 4.21Å; L159-T167 HydrophobicContact CB-CG2 3.86Å; L159-T167 HydrophobicContact CD1-CG2 3.88Å; L159-T167 HydrophobicContact CG-CG2 4.36Å; T167-F213 HydrophobicContact CG2-CE2 3.69Å; T167-F213 HydrophobicContact CG2-CZ 3.57Å
168Q95.2Very high94Very high97 Ų9782.6 Ų82.645%0.45343%0.429SS..EExtended strand (participates in β ladder)trans-125.2157.2-178.9-64.9-169.331.800112.2L159 F160 T162L159-Q168 VanDerWaalsContact CA-O 3.29Å; L159-Q168 WeakPolarHBondContact CA-O 3.43Å; F160-Q168 HydrophobicContact CD1-CB 4.48Å; F160-Q168 HydrophobicContact CE1-CB 3.85Å; F160-Q168 HydrophobicContact CZ-CB 4.04Å; F160-Q168 PolarHBondContact N-O 3.29Å; F160-Q168 PolarHBondContact O-N 3.4Å; T162-Q168 HydrophobicContact CG2-CG 4.13Å
169V94.1Very high94Very high62 Ų6285.3 Ų85.338%0.37645%0.447SS..EExtended strand (participates in β ladder)trans-69129.5172-178.50000109.7Q67 L159 R171Q67-V169 HydrophobicContact CG-CG2 3.87Å; L159-V169 HydrophobicContact CD2-CB 4.36Å; L159-V169 HydrophobicContact CD2-CG2 3.94Å; V169-R171 PolarHBondContact O-N 2.91Å
170N94.9Very high93.9Very high40 Ų4088.9 Ų88.921%0.21446%0.464CS..  trans-77.9104.5171.5-174.54000110.1G157 A158 F160 T172 F173G157-N170 WeakPolarHBondContact O-CB 3.18Å; G157-N170 PolarHBondContact O-ND2 2.89Å; A158-N170 PolarHBondContact O-N 2.63Å; F160-N170 HydrophobicContact CD1-CB 4.03Å; N170-T172 PolarHBondContact O-N 2.86Å; N170-T172 PolarHBondContact OD1-N 2.8Å; N170-T172 PolarHBondContact OD1-OG1 3.34Å; N170-F173 HydrophobicContact CB-CB 4.11Å; N170-F173 WeakPolarHBondContact O-CB 3.43Å; N170-F173 PolarHBondContact O-N 3.08Å
171R92.8Very high93.8Very high241 Ų24189.7 Ų89.791%0.90947%0.47SS*.THydrogen-bonded Turntrans-70.4-15.4-178-63.3-176.5-177.4179.91113.9V169V169-R171 PolarHBondContact O-N 2.91Å
172T93.9Very high93.8Very high114 Ų11497 Ų9770%0.69950%0.496SS*.THydrogen-bonded Turntrans-95.63.7176.864.30000112.5N170 E174N170-T172 PolarHBondContact O-N 2.86Å; N170-T172 PolarHBondContact OD1-N 2.8Å; N170-T172 PolarHBondContact OD1-OG1 3.34Å; T172-E174 PolarHBondContact O-N 3.25Å
173F94.7Very high93.9Very high65 Ų65101.2 Ų101.229%0.28551%0.512SS..  trans-74.8112.1175.8-179-107.3000110.6P155 R156 A158 N170 G175 L176P155-F173 HydrophobicContact CB-CE1 4.47Å; P155-F173 HydrophobicContact CB-CZ 3.94Å; P155-F173 HydrophobicContact CG-CE1 3.85Å; P155-F173 HydrophobicContact CG-CZ 3.83Å; R156-F173 VanDerWaalsContact O-CE2 3.28Å; R156-F173 WeakPolarHBondContact O-CE2 3.25Å; A158-F173 HydrophobicContact CB-CD1 3.73Å; A158-F173 HydrophobicContact CB-CE1 3.78Å; A158-F173 HydrophobicContact CB-CG 4.2Å; A158-F173 HydrophobicContact CB-CZ 4.29Å; N170-F173 HydrophobicContact CB-CB 4.11Å; N170-F173 WeakPolarHBondContact O-CB 3.43Å; N170-F173 PolarHBondContact O-N 3.08Å; F173-G175 VanDerWaalsContact CZ-C 3.5Å; F173-G175 VanDerWaalsContact CZ-CA 3.45Å; F173-L176 HydrophobicContact CE2-CD2 4.29Å; F173-L176 HydrophobicContact CZ-CD2 4.29Å; F173-L176 HydrophobicContact CZ-CG 4.23Å
174E93.4Very high94Very high197 Ų19799.9 Ų99.992%0.92150%0.497SS*.  trans-93.4-0-179-63.6-178.6175.700113.2T172T172-E174 PolarHBondContact O-N 3.25Å
175G93.8Very high94.2Very high41 Ų4192.7 Ų92.742%0.42347%0.471SS..  trans111.3169.2-172.900000112.7F173F173-G175 VanDerWaalsContact CZ-C 3.5Å; F173-G175 VanDerWaalsContact CZ-CA 3.45Å
176L94.9Very high94.5Very high31 Ų3191.4 Ų91.416%0.16246%0.457CS..  trans-79149174.2-65.7175.9000110.7P155 F173 E180 I181 Y187P155-L176 HydrophobicContact CB-CD1 3.59Å; P155-L176 HydrophobicContact CB-CD2 4.17Å; P155-L176 HydrophobicContact CB-CG 3.74Å; F173-L176 HydrophobicContact CE2-CD2 4.29Å; F173-L176 HydrophobicContact CZ-CD2 4.29Å; F173-L176 HydrophobicContact CZ-CG 4.23Å; L176-E180 HydrophobicContact CB-CB 4.38Å; L176-I181 HydrophobicContact CB-CG1 3.91Å; L176-Y187 HydrophobicContact CD1-CE1 3.91Å; L176-Y187 HydrophobicContact CD1-CE2 4.04Å
177H94.3Very high94.7Very high124 Ų12492 Ų9257%0.57445%0.453SS*.  trans-67.3151.2171.9-169.8-100.2000110.9S179 E180 I181H177-S179 PolarHBondContact ND1-N 2.9Å; H177-S179 PolarHBondContact ND1-OG 2.54Å; H177-S179 PolarHBondContact O-N 2.8Å; H177-E180 HydrophobicContact CB-CG 4.47Å; H177-E180 WeakPolarHBondContact O-CA 3.48Å; H177-E180 WeakPolarHBondContact O-CB 3.48Å; H177-E180 PolarHBondContact O-N 3.43Å; H177-I181 WeakPolarHBondContact O-CG1 3.25Å; H177-I181 PolarHBondContact O-N 2.69Å; H177-I181 VanDerWaalsContact O-N 3.16Å
178L93.8Very high94.7Very high143 Ų14392.4 Ų92.475%0.74945%0.454SS*.THydrogen-bonded Turntrans-54.5-32.1-178-73171.5000113.8E180 I181L178-E180 PolarHBondContact O-N 3.25Å; L178-I181 HydrophobicContact CD2-CD1 4.02Å
179S95.4Very high94.7Very high72 Ų7288.1 Ų88.150%0.50343%0.434SS..THydrogen-bonded Turntrans-71.4-16.9176.456.80000114.1H177 K183H177-S179 PolarHBondContact ND1-N 2.9Å; H177-S179 PolarHBondContact ND1-OG 2.54Å; H177-S179 PolarHBondContact O-N 2.8Å; S179-K183 VanDerWaalsContact O-CE 3.27Å; S179-K183 WeakPolarHBondContact O-CE 3.35Å
180E95.1Very high94.8Very high77 Ų7786 Ų8636%0.3642%0.42SS..THydrogen-bonded Turntrans-104.2-27.4-174.8-65.2-171.9132.100112.4L176 H177 L178 R182 K183 S186L176-E180 HydrophobicContact CB-CB 4.38Å; H177-E180 HydrophobicContact CB-CG 4.47Å; H177-E180 WeakPolarHBondContact O-CA 3.48Å; H177-E180 WeakPolarHBondContact O-CB 3.48Å; H177-E180 PolarHBondContact O-N 3.43Å; L178-E180 PolarHBondContact O-N 3.25Å; E180-R182 PolarHBondContact O-N 3.48Å; E180-K183 WeakPolarHBondContact O-CB 3.39Å; E180-K183 PolarHBondContact O-N 3.47Å; E180-S186 WeakPolarHBondContact O-CB 3.34Å; E180-S186 PolarHBondContact O-OG 2.81Å
181I93.6Very high94.7Very high77 Ų7786.9 Ų86.940%0.39542%0.42SS..THydrogen-bonded Turntrans-54.2-27.3-179.5-66.9171.1000113.2L176 H177 L178 Y187L176-I181 HydrophobicContact CB-CG1 3.91Å; H177-I181 WeakPolarHBondContact O-CG1 3.25Å; H177-I181 PolarHBondContact O-N 2.69Å; H177-I181 VanDerWaalsContact O-N 3.16Å; L178-I181 HydrophobicContact CD2-CD1 4.02Å; I181-Y187 WeakPolarHBondContact CA-OH 3.43Å; I181-Y187 VanDerWaalsContact O-CE2 3.31Å; I181-Y187 WeakPolarHBondContact O-CE2 3.34Å; I181-Y187 PolarHBondContact O-OH 3.24Å; I181-Y187 VanDerWaalsContact O-OH 3.07Å
182R94Very high94.7Very high237 Ų23781.9 Ų81.989%0.89441%0.407SS*.THydrogen-bonded Turntrans-93.1-2.5179.5-66.4-177.1179.1-97.50.3114.2E180E180-R182 PolarHBondContact O-N 3.48Å
183K96.1Very high94.6Very high106 Ų10677.3 Ų77.346%0.46138%0.381SS..  trans-96.3126-177.2-61.9-178.5-179.1176.50109.8S179 E180 S185 S186 Y187S179-K183 VanDerWaalsContact O-CE 3.27Å; S179-K183 WeakPolarHBondContact O-CE 3.35Å; E180-K183 WeakPolarHBondContact O-CB 3.39Å; E180-K183 PolarHBondContact O-N 3.47Å; K183-S185 PolarHBondContact O-N 3.38Å; K183-S186 WeakPolarHBondContact O-CB 3.37Å; K183-S186 PolarHBondContact O-N 3.16Å; K183-S186 VanDerWaalsContact O-N 3.07Å; K183-Y187 VanDerWaalsContact O-CD2 3.27Å; K183-Y187 WeakPolarHBondContact O-CD2 3.28Å
184L94.8Very high94.5Very high108 Ų10878.5 Ų78.557%0.56539%0.389SS*.G310 helixtrans-61.5-33176.2-67.4177.6000112.3S186 Y187 L217L184-S186 PolarHBondContact O-N 3.39Å; L184-S186 VanDerWaalsContact O-N 3.12Å; L184-Y187 PolarHBondContact O-N 3.49Å; L184-Y187 VanDerWaalsContact O-O 3.12Å; L184-L217 HydrophobicContact CB-CB 4.16Å; L184-L217 HydrophobicContact CD2-CB 4.37Å
185S94.2Very high94.1Very high44 Ų4473.4 Ų73.431%0.30837%0.368SS..G310 helixtrans-64.7-12.7175.655.40000114.7K183 Y187 E218K183-S185 PolarHBondContact O-N 3.38Å; S185-Y187 VanDerWaalsContact C-N 3.29Å; S185-E218 WeakPolarHBondContact CB-OE2 3.41Å
186S96.8Very high93.7Very high8 Ų873.1 Ų73.16%0.05636%0.357CS..G310 helixtrans-87.10.6174-58.20000113.1P155 R156 E180 K183 L184P155-S186 WeakPolarHBondContact CA-O 3.26Å; R156-S186 PolarHBondContact N-O 3.03Å; E180-S186 WeakPolarHBondContact O-CB 3.34Å; E180-S186 PolarHBondContact O-OG 2.81Å; K183-S186 WeakPolarHBondContact O-CB 3.37Å; K183-S186 PolarHBondContact O-N 3.16Å; K183-S186 VanDerWaalsContact O-N 3.07Å; L184-S186 PolarHBondContact O-N 3.39Å; L184-S186 VanDerWaalsContact O-N 3.12Å
187Y97Very high93Very high46 Ų4679.1 Ų79.118%0.1838%0.382CS..EExtended strand (participates in β ladder)trans-128.5148.2-179.7-60.8-88.7000111I153 I154 P155 L176 I181 K183 L184 S185 L217I153-Y187 HydrophobicContact CD1-CD1 4.33Å; I154-Y187 WeakPolarHBondContact O-CA 3.25Å; P155-Y187 HydrophobicContact CB-CD1 4.16Å; P155-Y187 HydrophobicContact CB-CE1 4.09Å; L176-Y187 HydrophobicContact CD1-CE1 3.91Å; L176-Y187 HydrophobicContact CD1-CE2 4.04Å; I181-Y187 WeakPolarHBondContact CA-OH 3.43Å; I181-Y187 VanDerWaalsContact O-CE2 3.31Å; I181-Y187 WeakPolarHBondContact O-CE2 3.34Å; I181-Y187 PolarHBondContact O-OH 3.24Å; I181-Y187 VanDerWaalsContact O-OH 3.07Å; K183-Y187 VanDerWaalsContact O-CD2 3.27Å; K183-Y187 WeakPolarHBondContact O-CD2 3.28Å; L184-Y187 PolarHBondContact O-N 3.49Å; L184-Y187 VanDerWaalsContact O-O 3.12Å; S185-Y187 VanDerWaalsContact C-N 3.29Å; Y187-L217 HydrophobicContact CG-CD1 4.45Å; Y187-L217 PolarHBondContact O-N 3.13Å; Y187-L217 VanDerWaalsContact O-N 3.08Å
188F96.3Very high92.5Very high11 Ų1179.3 Ų79.35%0.04839%0.387CS..EExtended strand (participates in β ladder)trans-125.6152.5178.7-68.3-92.4000110.6I153 I154 R156 F190 D212 M214 D215I153-F188 CarbonylContact C-O 3.59Å; I153-F188 VanDerWaalsContact CA-O 3.26Å; I153-F188 WeakPolarHBondContact CA-O 3.21Å; I154-F188 HydrophobicContact CG2-CB 4.31Å; I154-F188 PolarHBondContact N-O 2.94Å; I154-F188 PolarHBondContact O-N 2.66Å; R156-F188 HydrophobicContact CB-CD2 4.12Å; R156-F188 HydrophobicContact CB-CE2 3.61Å; R156-F188 HydrophobicContact CG-CD2 4.46Å; R156-F188 HydrophobicContact CG-CE2 3.59Å; R156-F188 HydrophobicContact CG-CZ 4.38Å; F188-F190 PolarHBondContact O-N 3.4Å; F188-D212 WeakPolarHBondContact CZ-OD1 3.47Å; F188-M214 HydrophobicContact CB-CB 3.8Å; F188-M214 HydrophobicContact CB-CE 4.03Å; F188-M214 HydrophobicContact CD1-CB 3.88Å; F188-M214 VanDerWaalsContact CD1-O 3.26Å; F188-M214 WeakPolarHBondContact CD1-O 3.49Å; F188-M214 WeakPolarHBondContact CE1-O 3.34Å; F188-M214 HydrophobicContact CG-CB 4.12Å; F188-M214 HydrophobicContact CG-CE 4.42Å; F188-D215 CarbonylContact C-O 3.6Å; F188-D215 VanDerWaalsContact CA-O 3.24Å; F188-D215 WeakPolarHBondContact CA-O 3.07Å; F188-D215 WeakPolarHBondContact CD1-O 3.12Å
189H96Very high92.1Very high7 Ų774.4 Ų74.43%0.03236%0.359CS..EExtended strand (participates in β ladder)trans-62.5125.8165.6-75.9-68.7000109.9R191 D215 L217 D220H189-R191 HydrophobicContact CB-CG 4.03Å; H189-R191 PolarHBondContact O-N 3.23Å; H189-D215 PolarHBondContact N-O 3.12Å; H189-L217 VanDerWaalsContact CE1-CD2 3.4Å; H189-L217 WeakPolarHBondContact CE1-CD2 3.33Å; H189-L217 VanDerWaalsContact NE2-CD2 3.31Å; H189-L217 WeakPolarHBondContact NE2-CD2 3.42Å; H189-D220 IonicContact CD2-OD1 3.1Å; H189-D220 IonicContact CE1-OD1 2.92Å; H189-D220 IonicContact CE1-OD2 3.7Å; H189-D220 PolarHBondContact CE1-OD2 2.85Å; H189-D220 VanDerWaalsContact CE1-OD2 3.28Å; H189-D220 VanDerWaalsContact NE2-CG 3.27Å; H189-D220 IonicContact NE2-OD1 3.98Å; H189-D220 PolarHBondContact NE2-OD1 2.76Å; H189-D220 IonicContact NE2-OD2 3.79Å; H189-D220 PolarHBondContact NE2-OD2 2.99Å
190F95.4Very high91.8Very high17 Ų1774.7 Ų74.78%0.07536%0.358CS..SBendtrans-83.867.1-179.4-174-154.9000110.8L45 L63 Q67 L68 R71 A152 I154 L159 F188L45-F190 HydrophobicContact CD1-CE1 4.28Å; L63-F190 HydrophobicContact CD2-CZ 4.01Å; Q67-F190 WeakPolarHBondContact O-CE2 3.26Å; Q67-F190 WeakPolarHBondContact O-CZ 3.21Å; L68-F190 HydrophobicContact CD2-CD2 3.67Å; L68-F190 HydrophobicContact CD2-CE2 3.77Å; R71-F190 VanDerWaalsContact NH2-CG 3.34Å; R71-F190 PolarHBondContact NH2-O 2.99Å; A152-F190 HydrophobicContact CB-CB 4.16Å; A152-F190 PolarHBondContact O-N 3.02Å; I154-F190 HydrophobicContact CB-CB 4.16Å; I154-F190 HydrophobicContact CB-CG 4.34Å; I154-F190 HydrophobicContact CD1-CD2 4.29Å; I154-F190 HydrophobicContact CD1-CE2 4.4Å; I154-F190 HydrophobicContact CD1-CG 4.46Å; I154-F190 HydrophobicContact CG2-CB 4.15Å; I154-F190 HydrophobicContact CG2-CD2 4.45Å; I154-F190 HydrophobicContact CG2-CG 4.46Å; L159-F190 HydrophobicContact CD1-CD2 4.1Å; L159-F190 HydrophobicContact CD1-CE2 3.64Å; L159-F190 HydrophobicContact CD1-CZ 4.46Å; F188-F190 PolarHBondContact O-N 3.4Å
191R93.3Very high91.4Very high58 Ų5878.2 Ų78.222%0.21938%0.379CS..SBendtrans-159.3172.2178.263.4-164.6177.5117.30.4109.3K149 H189K149-R191 WeakPolarHBondContact O-CD 3.42Å; K149-R191 PolarHBondContact O-NE 3.44Å; H189-R191 HydrophobicContact CB-CG 4.03Å; H189-R191 PolarHBondContact O-N 3.23Å
192E91.9Very high91.2Very high137 Ų13781.2 Ų81.264%0.6440%0.395SS*.  trans-61141.1170.8-68.5-165.7164.200111.4I194E192-I194 PolarHBondContact O-N 2.69Å
193A92.4Very high90.8Very high17 Ų1774.4 Ų74.414%0.1437%0.373CS..  trans-65.7130.5179.900000112.6L196 D215A193-L196 HydrophobicContact CB-CB 3.58Å; A193-L196 HydrophobicContact CB-CD2 4.19Å; A193-D215 WeakPolarHBondContact CA-OD2 3.2Å
194I91.4Very high90.3Very high91 Ų9173.4 Ų73.447%0.46737%0.369SS..SBendtrans-96.1-51.6172.8-58-167.4000109.7E192 D215E192-I194 PolarHBondContact O-N 2.69Å; I194-D215 PolarHBondContact N-OD2 2.89Å
195D86.5Confident89.9Confident90 Ų9071.9 Ų71.948%0.48137%0.372SS..SBendtrans-88.8-23.4-168.3-66-42.6000113.2K197 N198 D215D195-K197 PolarHBondContact O-N 3.17Å; D195-K197 VanDerWaalsContact O-N 3.1Å; D195-N198 WeakPolarHBondContact O-CA 3.32Å; D195-N198 WeakPolarHBondContact O-CB 3.44Å; D195-N198 PolarHBondContact O-N 2.96Å; D195-D215 PolarHBondContact N-OD1 2.97Å; D195-D215 VanDerWaalsContact N-OD1 3.15Å; D195-D215 PolarHBondContact N-OD2 3.47Å
196L83.9Confident89.6Confident34 Ų3476.4 Ų76.418%0.17839%0.393CS..G310 helixtrans-55.2-31.2176.7-157.179.5000113.2A193 N198 K199 K204 L207 D215A193-L196 HydrophobicContact CB-CB 3.58Å; A193-L196 HydrophobicContact CB-CD2 4.19Å; L196-N198 PolarHBondContact O-N 3.17Å; L196-K199 HydrophobicContact CD1-CD 4.14Å; L196-K199 PolarHBondContact O-N 3.36Å; L196-K204 WeakPolarHBondContact O-CE 3.48Å; L196-L207 HydrophobicContact CD1-CD1 3.88Å; L196-D215 PolarHBondContact N-OD1 3.39Å
197K80.6Confident89.2Confident158 Ų15878.1 Ų78.169%0.68740%0.401SS*.G310 helixtrans-63.9-34176.3-67177.4-174.21690111.5D195 K199 K204D195-K197 PolarHBondContact O-N 3.17Å; D195-K197 VanDerWaalsContact O-N 3.1Å; K197-K199 VanDerWaalsContact C-N 3.34Å; K197-K204 PolarHBondContact O-NZ 3.4Å
198N84.6Confident89Confident128 Ų12879.1 Ų79.168%0.68441%0.409SS*.G310 helixtrans-81.1-11.8-175.8-57.1-30.3000113.2D195 L196D195-N198 WeakPolarHBondContact O-CA 3.32Å; D195-N198 WeakPolarHBondContact O-CB 3.44Å; D195-N198 PolarHBondContact O-N 2.96Å; L196-N198 PolarHBondContact O-N 3.17Å
199K85.9Confident88.8Confident40 Ų4083.8 Ų83.817%0.17444%0.441CS..SBendtrans-64145.1176.9-68.2-167175.8-167.20112.8L196 K197 E203 K204 L207L196-K199 HydrophobicContact CD1-CD 4.14Å; L196-K199 PolarHBondContact O-N 3.36Å; K197-K199 VanDerWaalsContact C-N 3.34Å; K199-E203 HydrophobicContact CB-CB 4.25Å; K199-E203 HydrophobicContact CD-CB 4.39Å; K199-K204 HydrophobicContact CB-CG 4.11Å; K199-K204 VanDerWaalsContact O-CE 3.29Å; K199-K204 WeakPolarHBondContact O-CE 3.45Å; K199-K204 PolarHBondContact O-NZ 2.94Å; K199-L207 HydrophobicContact CD-CD1 4.11Å
200T88.5Confident88.6Confident77 Ų7785.3 Ų85.347%0.47245%0.452SS..  trans-67.5163.6175.766.10000111.8L202 E203 K204T200-L202 VanDerWaalsContact C-N 3.26Å; T200-L202 PolarHBondContact O-N 3.21Å; T200-E203 WeakPolarHBondContact CB-OE2 3.33Å; T200-E203 WeakPolarHBondContact CG2-OE2 3.44Å; T200-E203 PolarHBondContact N-OE2 3.24Å; T200-E203 PolarHBondContact O-N 3.1Å; T200-E203 VanDerWaalsContact OG1-CD 3.26Å; T200-E203 VanDerWaalsContact OG1-CG 3.26Å; T200-E203 WeakPolarHBondContact OG1-CG 3.34Å; T200-E203 PolarHBondContact OG1-N 3.21Å; T200-E203 PolarHBondContact OG1-OE2 3.32Å; T200-K204 WeakPolarHBondContact O-CB 3.28Å; T200-K204 WeakPolarHBondContact O-CG 3.35Å; T200-K204 PolarHBondContact O-N 3.11Å
201L86.9Confident88.5Confident152 Ų15286.3 Ų86.380%0.79646%0.458SS*.Hα-helixtrans-62.4-34.6176.6-68.5177.1000112.6K204 A205L201-K204 PolarHBondContact O-N 3.47Å; L201-A205 PolarHBondContact O-N 3.28Å; L201-A205 VanDerWaalsContact O-N 3.13Å
202L88.3Confident88.6Confident140 Ų14084.4 Ų84.473%0.73345%0.452SS*.Hα-helixtrans-66.5-48178.5-174.265.8000110.5T200 K204 A205T200-L202 VanDerWaalsContact C-N 3.26Å; T200-L202 PolarHBondContact O-N 3.21Å; L202-K204 VanDerWaalsContact C-N 3.27Å; L202-K204 PolarHBondContact O-N 3.35Å; L202-A205 WeakPolarHBondContact O-CB 3.37Å; L202-A205 PolarHBondContact O-N 3Å; L202-A205 VanDerWaalsContact O-N 3.12Å
203E86Confident88.7Confident94 Ų9478.7 Ų78.744%0.43943%0.425SS..Hα-helixtrans-63.4-34.7177.3-68.1163.4141.500112.2K199 T200 A205 L207K199-E203 HydrophobicContact CB-CB 4.25Å; K199-E203 HydrophobicContact CD-CB 4.39Å; T200-E203 WeakPolarHBondContact CB-OE2 3.33Å; T200-E203 WeakPolarHBondContact CG2-OE2 3.44Å; T200-E203 PolarHBondContact N-OE2 3.24Å; T200-E203 PolarHBondContact O-N 3.1Å; T200-E203 VanDerWaalsContact OG1-CD 3.26Å; T200-E203 VanDerWaalsContact OG1-CG 3.26Å; T200-E203 WeakPolarHBondContact OG1-CG 3.34Å; T200-E203 PolarHBondContact OG1-N 3.21Å; T200-E203 PolarHBondContact OG1-OE2 3.32Å; E203-A205 VanDerWaalsContact C-N 3.29Å; E203-A205 PolarHBondContact O-N 3.07Å; E203-L207 WeakPolarHBondContact O-CG 3.49Å
204K85Confident88.8Confident84 Ų8478.1 Ų78.137%0.36542%0.42SS..Hα-helixtrans-70.3-24.1176.4-76.3170.8173.3149.30113.2L196 K197 K199 T200 L201 L202 D206 L207L196-K204 WeakPolarHBondContact O-CE 3.48Å; K197-K204 PolarHBondContact O-NZ 3.4Å; K199-K204 HydrophobicContact CB-CG 4.11Å; K199-K204 VanDerWaalsContact O-CE 3.29Å; K199-K204 WeakPolarHBondContact O-CE 3.45Å; K199-K204 PolarHBondContact O-NZ 2.94Å; T200-K204 WeakPolarHBondContact O-CB 3.28Å; T200-K204 WeakPolarHBondContact O-CG 3.35Å; T200-K204 PolarHBondContact O-N 3.11Å; L201-K204 PolarHBondContact O-N 3.47Å; L202-K204 VanDerWaalsContact C-N 3.27Å; L202-K204 PolarHBondContact O-N 3.35Å; K204-D206 PolarHBondContact O-N 2.93Å; K204-L207 HydrophobicContact CG-CD1 4.41Å; K204-L207 PolarHBondContact O-N 3.11Å
205A86.5Confident88.9Confident76 Ų7674.2 Ų74.263%0.62840%0.4SS*.Hα-helixtrans-69-25.8-18000000112.7L201 L202 E203L201-A205 PolarHBondContact O-N 3.28Å; L201-A205 VanDerWaalsContact O-N 3.13Å; L202-A205 WeakPolarHBondContact O-CB 3.37Å; L202-A205 PolarHBondContact O-N 3Å; L202-A205 VanDerWaalsContact O-N 3.12Å; E203-A205 VanDerWaalsContact C-N 3.29Å; E203-A205 PolarHBondContact O-N 3.07Å
206D87.9Confident89.3Confident140 Ų14070.6 Ų70.675%0.74938%0.381SS*.THydrogen-bonded Turntrans-88.2-5.5179.4-65.9-32.6000113.3K204K204-D206 PolarHBondContact O-N 2.93Å
207L89.9Confident89.8Confident44 Ų4469.6 Ų69.623%0.2338%0.376CS..SBendtrans-90.9140.3-177.3-58.1175.9000111.3L196 K199 E203 K204 P209 D212L196-L207 HydrophobicContact CD1-CD1 3.88Å; K199-L207 HydrophobicContact CD-CD1 4.11Å; E203-L207 WeakPolarHBondContact O-CG 3.49Å; K204-L207 HydrophobicContact CG-CD1 4.41Å; K204-L207 PolarHBondContact O-N 3.11Å; L207-P209 WeakPolarHBondContact O-CD 3.4Å; L207-D212 HydrophobicContact CB-CB 4Å; L207-D212 HydrophobicContact CD2-CB 4.03Å
208D92.2Very high90.4Very high66 Ų6667.3 Ų67.335%0.35337%0.368SS..  trans-82114166.9-175.8-40.4000109.3S210 L211 D212D208-S210 PolarHBondContact O-N 3.05Å; D208-S210 WeakPolarHBondContact OD1-CA 3.37Å; D208-S210 WeakPolarHBondContact OD1-CB 3.31Å; D208-S210 PolarHBondContact OD1-N 2.78Å; D208-L211 HydrophobicContact CB-CB 4.11Å; D208-L211 HydrophobicContact CB-CD1 4.48Å; D208-L211 HydrophobicContact CB-CG 4.37Å; D208-L211 PolarHBondContact O-N 3.19Å; D208-L211 PolarHBondContact OD1-N 3.12Å; D208-D212 PolarHBondContact N-OD2 2.9Å; D208-D212 WeakPolarHBondContact O-CA 3.5Å; D208-D212 WeakPolarHBondContact O-CB 3.31Å; D208-D212 PolarHBondContact O-N 3.31Å
209P90.8Very high90.7Very high109 Ų10967.8 Ų67.871%0.70836%0.361SS*.THydrogen-bonded Turntrans-62.6-20.4-176.5-22.934.7000114.6L207L207-P209 WeakPolarHBondContact O-CD 3.4Å
210S93.3Very high90.9Very high39 Ų3969.7 Ų69.727%0.27337%0.373SS..THydrogen-bonded Turntrans-86.4-26.5178-164.10000112.3F160 K161 D208 F213F160-S210 CarbonylContact C-O 3.53Å; F160-S210 VanDerWaalsContact CA-O 3.24Å; F160-S210 WeakPolarHBondContact CA-O 3.48Å; K161-S210 PolarHBondContact N-O 3Å; K161-S210 PolarHBondContact O-OG 3.36Å; D208-S210 PolarHBondContact O-N 3.05Å; D208-S210 WeakPolarHBondContact OD1-CA 3.37Å; D208-S210 WeakPolarHBondContact OD1-CB 3.31Å; D208-S210 PolarHBondContact OD1-N 2.78Å; S210-F213 WeakPolarHBondContact O-CD1 3.17Å; S210-F213 WeakPolarHBondContact O-CE1 3.4Å
211L93.6Very high90.8Very high39 Ų3973.1 Ų73.120%0.20439%0.387CS..THydrogen-bonded Turntrans-110.5-36.7-175.3-55.6180000113.5F160 D208 F213F160-L211 HydrophobicContact CB-CD2 4.07Å; D208-L211 HydrophobicContact CB-CB 4.11Å; D208-L211 HydrophobicContact CB-CD1 4.48Å; D208-L211 HydrophobicContact CB-CG 4.37Å; D208-L211 PolarHBondContact O-N 3.19Å; D208-L211 PolarHBondContact OD1-N 3.12Å; L211-F213 PolarHBondContact O-N 2.85Å
212D93.6Very high90.6Very high17 Ų1771.8 Ų71.89%0.09139%0.387CS..  trans-103.746.3-172.3-56.5-44.9000111.4R156 F188 L207 D208R156-D212 IonicContact CZ-OD1 3.34Å; R156-D212 IonicContact CZ-OD2 3.77Å; R156-D212 IonicContact NE-OD1 2.72Å; R156-D212 PolarHBondContact NE-OD1 3.4Å; R156-D212 IonicContact NE-OD2 3.86Å; R156-D212 IonicContact NH2-OD1 3.14Å; R156-D212 PolarHBondContact NH2-OD1 3.37Å; R156-D212 VanDerWaalsContact NH2-OD1 3.14Å; R156-D212 IonicContact NH2-OD2 2.82Å; R156-D212 PolarHBondContact NH2-OD2 2.72Å; F188-D212 WeakPolarHBondContact CZ-OD1 3.47Å; L207-D212 HydrophobicContact CB-CB 4Å; L207-D212 HydrophobicContact CD2-CB 4.03Å; D208-D212 PolarHBondContact N-OD2 2.9Å; D208-D212 WeakPolarHBondContact O-CA 3.5Å; D208-D212 WeakPolarHBondContact O-CB 3.31Å; D208-D212 PolarHBondContact O-N 3.31Å
213F94.1Very high89.4Confident17 Ų1778.4 Ų78.48%0.07541%0.41CS..  trans-98.81.8-177.563-84.9000114L68 L159 K161 T167 S210 L211L68-F213 HydrophobicContact CD1-CD2 4.01Å; L68-F213 HydrophobicContact CD1-CE2 3.55Å; L68-F213 HydrophobicContact CG-CE2 4.47Å; L159-F213 HydrophobicContact CB-CZ 4.09Å; K161-F213 HydrophobicContact CB-CB 4.48Å; K161-F213 HydrophobicContact CB-CD1 3.77Å; K161-F213 HydrophobicContact CB-CD2 4.22Å; K161-F213 HydrophobicContact CB-CE1 4.02Å; K161-F213 HydrophobicContact CB-CE2 4.41Å; K161-F213 HydrophobicContact CB-CG 3.89Å; K161-F213 HydrophobicContact CB-CZ 4.33Å; K161-F213 HydrophobicContact CD-CB 4.03Å; K161-F213 HydrophobicContact CD-CD2 4.08Å; K161-F213 HydrophobicContact CD-CG 4.03Å; T167-F213 HydrophobicContact CG2-CE2 3.69Å; T167-F213 HydrophobicContact CG2-CZ 3.57Å; S210-F213 WeakPolarHBondContact O-CD1 3.17Å; S210-F213 WeakPolarHBondContact O-CE1 3.4Å; L211-F213 PolarHBondContact O-N 2.85Å
214M94.8Very high89.6Confident5 Ų577.6 Ų77.63%0.02541%0.409CS..SBendtrans-116.2169.5177.3-67.5176.4-68.200110.2L68 I154 F188L68-M214 HydrophobicContact CD1-CG 4.08Å; L68-M214 HydrophobicContact CD1-SD 4.18Å; L68-M214 HydrophobicContact CD2-SD 4.2Å; I154-M214 HydrophobicContact CG2-CE 3.69Å; I154-M214 HydrophobicContact CG2-SD 4.04Å; F188-M214 HydrophobicContact CB-CB 3.8Å; F188-M214 HydrophobicContact CB-CE 4.03Å; F188-M214 HydrophobicContact CD1-CB 3.88Å; F188-M214 VanDerWaalsContact CD1-O 3.26Å; F188-M214 WeakPolarHBondContact CD1-O 3.49Å; F188-M214 WeakPolarHBondContact CE1-O 3.34Å; F188-M214 HydrophobicContact CG-CB 4.12Å; F188-M214 HydrophobicContact CG-CE 4.42Å
215D94.3Very high89.8Confident9 Ų977.3 Ų77.35%0.04841%0.411CS..  trans-81128.6176.6-63.2-38.8000111.2F188 H189 A193 I194 D195 L196F188-D215 CarbonylContact C-O 3.6Å; F188-D215 VanDerWaalsContact CA-O 3.24Å; F188-D215 WeakPolarHBondContact CA-O 3.07Å; F188-D215 WeakPolarHBondContact CD1-O 3.12Å; H189-D215 PolarHBondContact N-O 3.12Å; A193-D215 WeakPolarHBondContact CA-OD2 3.2Å; I194-D215 PolarHBondContact N-OD2 2.89Å; D195-D215 PolarHBondContact N-OD1 2.97Å; D195-D215 VanDerWaalsContact N-OD1 3.15Å; D195-D215 PolarHBondContact N-OD2 3.47Å; L196-D215 PolarHBondContact N-OD1 3.39Å
216S94.1Very high90Very high14 Ų1477.3 Ų77.310%0.09840%0.399CS..BIsolated β-bridgetrans-77.2140179169.80000111.1E218 Y219S216-E218 PolarHBondContact O-N 2.79Å; S216-E218 WeakPolarHBondContact OG-CB 3.2Å; S216-E218 PolarHBondContact OG-N 3.39Å; S216-Y219 PolarHBondContact O-N 2.8Å
217L94.7Very high90.1Very high14 Ų1473.6 Ų73.67%0.07338%0.379CS..G310 helixtrans-68.2-13.7176.5-55.9-173.2000113.4I153 L184 Y187 H189 Y219 D220I153-L217 HydrophobicContact CB-CD1 4.23Å; I153-L217 HydrophobicContact CD1-CD1 4.28Å; I153-L217 HydrophobicContact CG2-CD1 3.67Å; I153-L217 HydrophobicContact CG2-CD2 3.9Å; I153-L217 HydrophobicContact CG2-CG 4.33Å; L184-L217 HydrophobicContact CB-CB 4.16Å; L184-L217 HydrophobicContact CD2-CB 4.37Å; Y187-L217 HydrophobicContact CG-CD1 4.45Å; Y187-L217 PolarHBondContact O-N 3.13Å; Y187-L217 VanDerWaalsContact O-N 3.08Å; H189-L217 VanDerWaalsContact CE1-CD2 3.4Å; H189-L217 WeakPolarHBondContact CE1-CD2 3.33Å; H189-L217 VanDerWaalsContact NE2-CD2 3.31Å; H189-L217 WeakPolarHBondContact NE2-CD2 3.42Å; L217-Y219 PolarHBondContact O-N 2.77Å; L217-D220 WeakPolarHBondContact O-CB 3.47Å; L217-D220 PolarHBondContact O-N 2.81Å
218E93.2Very high90.1Very high109 Ų10975.5 Ų75.551%0.50939%0.388SS..G310 helixtrans-58.5-27.7176.7-178.5172.9-151.900112.7S185 S216S185-E218 WeakPolarHBondContact CB-OE2 3.41Å; S216-E218 PolarHBondContact O-N 2.79Å; S216-E218 WeakPolarHBondContact OG-CB 3.2Å; S216-E218 PolarHBondContact OG-N 3.39Å
219Y90.5Very high90Very high139 Ų13976.1 Ų76.155%0.54539%0.39SS..G310 helixtrans-98.44.7-177-51.6-67.3000113.4S216 L217 I221S216-Y219 PolarHBondContact O-N 2.8Å; L217-Y219 PolarHBondContact O-N 2.77Å; Y219-I221 PolarHBondContact O-N 3.42Å
220D91.2Very high89.9Confident79 Ų7973.8 Ų73.842%0.42237%0.367SS..PPolyproline II helixtrans-66.4130.4176.2-80.61.5000110.5H189 L217 P222H189-D220 IonicContact CD2-OD1 3.1Å; H189-D220 IonicContact CE1-OD1 2.92Å; H189-D220 IonicContact CE1-OD2 3.7Å; H189-D220 PolarHBondContact CE1-OD2 2.85Å; H189-D220 VanDerWaalsContact CE1-OD2 3.28Å; H189-D220 VanDerWaalsContact NE2-CG 3.27Å; H189-D220 IonicContact NE2-OD1 3.98Å; H189-D220 PolarHBondContact NE2-OD1 2.76Å; H189-D220 IonicContact NE2-OD2 3.79Å; H189-D220 PolarHBondContact NE2-OD2 2.99Å; L217-D220 WeakPolarHBondContact O-CB 3.47Å; L217-D220 PolarHBondContact O-N 2.81Å; D220-P222 WeakPolarHBondContact O-CD 3.35Å
221I86.9Confident89.7Confident150 Ų15076.5 Ų76.577%0.76938%0.375SS*.PPolyproline II helixtrans-98116.8177.5-57.5173.6000108.2Y219 K223Y219-I221 PolarHBondContact O-N 3.42Å; I221-K223 PolarHBondContact O-N 3.22Å
222P81Confident89.3Confident123 Ų12379.6 Ų79.680%0.79939%0.389SS*.PPolyproline II helixtrans-58.8133.6172-21.132.5000110.5D220D220-P222 WeakPolarHBondContact O-CD 3.35Å
223K63.8Low89Confident279 Ų27985.3 Ų85.3100%1.21342%0.416SS*.  trans-94.70173.3-71.8-171.2178.6179.90111.5I221I221-K223 PolarHBondContact O-N 3.22Å

Retrieved 223 of 223 residues in 331.5 ms (Link to these results)

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