A0A096NIF2_PAPAN Loading...

Protein delta homolog 2

Regulates adipogenesis.

AlphaFold DB , UniProt , Accession A0A096NIF2, Species PAPAN (Papio anubis, Olive baboon), Gene DLK2, Length 383 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
1M24.7Very low38.9Very low243 Ų243158.4 Ų158.4100%1.19790%0.897SS**  0145.40-82.9-175.5164.200108.9
2P56.5Low39.3Very low121 Ų121155.8 Ų155.879%0.78690%0.895SS**  trans-91.7157.2-156.236.7-34.6000113.3
3S35.2Very low39.6Very low124 Ų124156.2 Ų156.287%0.86789%0.89SS**  trans-177.6118.8152.110.80000106.2
4G37.8Very low39.9Very low77 Ų77157.1 Ų157.179%0.79489%0.89SS**  cis103.192.540.500000108
5C30.3Very low39.9Very low139 Ų139155.6 Ų155.694%0.93989%0.891SS**  trans-118.2104.6164.8-88.50000108.7
6R38.8Very low40.3Very low247 Ų247155.8 Ų155.893%0.93289%0.886SS**  trans-92.6123.4163.6-76-176.1169.4-162.5-2.7107.5L8R6-L8 PolarHBondContact O-N 3.45Å
7C35.4Very low40.6Very low130 Ų130156.9 Ų156.988%0.87889%0.888SS**  trans-67126.1166.8-77.70000109.9
8L36.6Very low40.3Very low168 Ų168152.4 Ų152.488%0.8888%0.882SS**  trans-105107169-151.880.3000108.8R6 L10R6-L8 PolarHBondContact O-N 3.45Å; L8-L10 PolarHBondContact O-N 3.19Å
9H47.7Very low40.1Very low181 Ų181149.4 Ų149.484%0.83888%0.877SS**  trans-60.4107.6163.6-95.4-92.1000109.1
10L42.2Very low40.4Very low160 Ų160148.5 Ų148.584%0.83888%0.876SS**  trans-17338.1146.6-131.285.1000117.2L8L8-L10 PolarHBondContact O-N 3.19Å
11V42.6Very low40.6Very low152 Ų152144.6 Ų144.692%0.92187%0.867SS**  trans-142.278165.3-167.10000110.2
12C43.8Very low41.6Very low128 Ų128141.9 Ų141.987%0.86585%0.851SS**  trans-130.849.4178.7-161.20000111.7
13L43.4Very low41.2Very low160 Ų160141.9 Ų141.984%0.83885%0.851SS**SBendtrans-143.911-176.4-109.9155.9000118.4
14L43.5Very low41.7Very low170 Ų170141.3 Ų141.389%0.8984%0.842SS**SBendtrans-139.446.6179.7-77.1175.4000116
15C39.3Very low42.2Very low134 Ų134147 Ų14791%0.90584%0.84SS**  trans-140.750.7168.4-79.70000112.2
16I47.6Very low43.2Very low159 Ų159143.5 Ų143.582%0.81582%0.821SS**  trans-99.4126.4160.7-51.9-179.4000106.1
17L44.4Very low43.9Very low175 Ų175137.4 Ų137.492%0.91681%0.807SS**  trans107.179.5177.7-54.7175.1000115.4
18G35Very low45.2Very low75 Ų75137 Ų13777%0.77380%0.796SS**  trans-167.7131.1162.300000109.8
19A37.7Very low46.5Very low95 Ų95129.3 Ų129.379%0.78576%0.756SS**  trans-58.1162.8-166.400000116.2G21A19-G21 PolarHBondContact O-N 3.04Å; A19-G21 VanDerWaalsContact O-N 3.17Å
20P45.7Very low47.2Very low132 Ų132124.6 Ų124.686%0.85774%0.743SS**  trans-80.5103.7-16833-30.3000111
21G44.1Very low48.4Very low67 Ų67120.7 Ų120.769%0.69173%0.73SS**  trans-90.9119.5149.800000107.4A19 P23A19-G21 PolarHBondContact O-N 3.04Å; A19-G21 VanDerWaalsContact O-N 3.17Å; G21-P23 WeakPolarHBondContact O-CD 3.35Å
22Q45.9Very low50.2Low185 Ų185118.8 Ų118.886%0.86471%0.71SS**  trans-50.1123.5176.7-73.2168.3-80.100110.1V24Q22-V24 PolarHBondContact O-N 3.13Å; Q22-V24 VanDerWaalsContact O-N 3.1Å
23P47.1Very low52.2Low121 Ų121113.2 Ų113.279%0.78667%0.672SS**  trans-67.6110.2159.527.1-28000106.2G21 R25G21-P23 WeakPolarHBondContact O-CD 3.35Å; P23-R25 PolarHBondContact O-N 2.98Å
24V46.7Very low54.4Low113 Ų113108.2 Ų108.269%0.68565%0.647SS**  trans-53.9125.2163.8177.20000106.2Q22 A26Q22-V24 PolarHBondContact O-N 3.13Å; Q22-V24 VanDerWaalsContact O-N 3.1Å; V24-A26 PolarHBondContact O-N 3.1Å
25R48Very low56.4Low197 Ų197104.6 Ų104.674%0.74363%0.628SS**  trans-65.3114-169.3-159-179.6-178.1169.32.2108.8P23 D27P23-R25 PolarHBondContact O-N 2.98Å; R25-D27 HydrophobicContact CG-CB 4.02Å; R25-D27 IonicContact NE-OD2 2.87Å; R25-D27 PolarHBondContact NE-OD2 3.24Å; R25-D27 PolarHBondContact O-N 3.35Å
26A50.7Low58.7Low65 Ų65101.6 Ų101.654%0.53761%0.612SS.*THydrogen-bonded Turntrans-69.118.817600000114.1V24V24-A26 PolarHBondContact O-N 3.1Å
27D54.4Low60.8Low119 Ų11996.4 Ų96.464%0.63659%0.585SS**THydrogen-bonded Turntrans-100.2-6.9-174.3-67.2-30000113.9R25R25-D27 HydrophobicContact CG-CB 4.02Å; R25-D27 IonicContact NE-OD2 2.87Å; R25-D27 PolarHBondContact NE-OD2 3.24Å; R25-D27 PolarHBondContact O-N 3.35Å
28D62.8Low62.9Low122 Ų12288.5 Ų88.565%0.65255%0.546SS*.SBendtrans-107.616.7-172-154.822000114.5S31D28-S31 PolarHBondContact O-OG 2.98Å
29C64Low65.4Low6 Ų687.8 Ų87.84%0.04153%0.528CS..SBendtrans-96.4-30.6-172.5-154.30000112.2S31 H32 C33 C40C29-S31 VanDerWaalsContact C-N 3.27Å; C29-S31 PolarHBondContact O-N 2.92Å; C29-H32 PolarHBondContact O-N 2.78Å; C29-C33 PolarHBondContact O-N 3.21Å; C29-C33 PolarHBondContact O-SG 3.25Å; C29-C33 PolarHBondContact SG-SG 3.3Å; C29-C40 HydrophobicContact CB-CB 3.65Å; C29-C40 WeakPolarHBondContact CB-SG 3.28Å; C29-C40 WeakPolarHBondContact SG-CB 3.36Å; C29-C40 CovalentContact SG-SG 2.01Å; C29-C40 PolarHBondContact SG-SG 3.33Å
30S61.3Low67.8Low82 Ų8285.6 Ų85.657%0.57351%0.506SS*.THydrogen-bonded Turntrans-70.3-18.9-175.4-44.20000114.2
31S68.7Low69.6Low78 Ų7879.6 Ų79.655%0.54547%0.468SS..THydrogen-bonded Turntrans-81.3-19.6176.946.50000112.8D28 C29D28-S31 PolarHBondContact O-OG 2.98Å; C29-S31 VanDerWaalsContact C-N 3.27Å; C29-S31 PolarHBondContact O-N 2.92Å
32H79.3Confident71.2Confident112 Ų11282.2 Ų82.252%0.51947%0.473SS..THydrogen-bonded Turntrans-123.9-27.3-170.7-68.1-67.6000113.7C29 H56C29-H32 PolarHBondContact O-N 2.78Å; H32-H56 WeakPolarHBondContact O-CB 3.35Å; H32-H56 PolarHBondContact O-ND1 3.09Å
33C86.2Confident73Confident10 Ų1078.8 Ų78.87%0.06846%0.461CS..SBendtrans-83.6135.1172.1-55.80000111C29 L35 C46C29-C33 PolarHBondContact O-N 3.21Å; C29-C33 PolarHBondContact O-SG 3.25Å; C29-C33 PolarHBondContact SG-SG 3.3Å; C33-L35 HydrophobicContact CB-CD2 4.16Å; C33-L35 PolarHBondContact O-N 3.29Å; C33-C46 WeakPolarHBondContact CA-SG 3.45Å; C33-C46 HydrophobicContact CB-CB 3.94Å; C33-C46 WeakPolarHBondContact CB-SG 3.04Å; C33-C46 VanDerWaalsContact SG-CA 3.57Å; C33-C46 WeakPolarHBondContact SG-CB 3.05Å; C33-C46 CovalentContact SG-SG 2.02Å; C33-C46 PolarHBondContact SG-SG 3.28Å
34D89.2Confident74.4Confident56 Ų5675 Ų7530%0.29944%0.443SS..  trans-70.993.7165.2-170.2-10.1000109.4A36 H37 G38 H56D34-A36 PolarHBondContact O-N 3.49Å; D34-A36 VanDerWaalsContact OD1-CB 3.28Å; D34-A36 WeakPolarHBondContact OD1-CB 3.29Å; D34-A36 PolarHBondContact OD1-N 2.75Å; D34-H37 CarbonylContact O-C 3.29Å; D34-H37 PolarHBondContact O-N 3Å; D34-H37 IonicContact OD1-ND1 3.68Å; D34-H37 IonicContact OD2-CE1 3.47Å; D34-H37 IonicContact OD2-CG 3.98Å; D34-H37 IonicContact OD2-ND1 2.85Å; D34-H37 PolarHBondContact OD2-ND1 2.69Å; D34-G38 PolarHBondContact O-N 3.22Å; D34-G38 VanDerWaalsContact O-N 3.17Å; D34-H56 WeakPolarHBondContact CB-O 3.5Å; D34-H56 PolarHBondContact N-O 2.96Å
35L86.3Confident76.3Confident93 Ų9372.2 Ų72.249%0.48743%0.429SS..THydrogen-bonded Turntrans-69.2-7.8-179-61.7178.2000113.2C33 H37C33-L35 HydrophobicContact CB-CD2 4.16Å; C33-L35 PolarHBondContact O-N 3.29Å; L35-H37 VanDerWaalsContact C-N 3.26Å
36A87.8Confident78.2Confident71 Ų7164.1 Ų64.159%0.58740%0.402SS*.THydrogen-bonded Turntrans-75.7-20.3170.300000112.1D34D34-A36 PolarHBondContact O-N 3.49Å; D34-A36 VanDerWaalsContact OD1-CB 3.28Å; D34-A36 WeakPolarHBondContact OD1-CB 3.29Å; D34-A36 PolarHBondContact OD1-N 2.75Å
37H90.8Very high80.1Confident51 Ų5168.7 Ų68.724%0.23641%0.406CS..SBendtrans-132.116.3-170-55.5133.2000112.9D34 L35 D49 W52D34-H37 CarbonylContact O-C 3.29Å; D34-H37 PolarHBondContact O-N 3Å; D34-H37 IonicContact OD1-ND1 3.68Å; D34-H37 IonicContact OD2-CE1 3.47Å; D34-H37 IonicContact OD2-CG 3.98Å; D34-H37 IonicContact OD2-ND1 2.85Å; D34-H37 PolarHBondContact OD2-ND1 2.69Å; L35-H37 VanDerWaalsContact C-N 3.26Å; H37-D49 WeakPolarHBondContact O-CB 3.21Å; H37-D49 PolarHBondContact O-N 2.82Å; H37-W52 HydrophobicContact CB-CB 4.31Å; H37-W52 HydrophobicContact CB-CD2 3.66Å; H37-W52 HydrophobicContact CB-CE3 4.14Å; H37-W52 HydrophobicContact CB-CG 3.7Å; H37-W52 AromaticContact CD2-CE2 3.4Å; H37-W52 VanDerWaalsContact CD2-CE2 3.4Å; H37-W52 AromaticContact CD2-CZ2 3.37Å; H37-W52 WeakPolarHBondContact CD2-CZ2 3.46Å; H37-W52 AromaticContact CD2-NE1 3.59Å; H37-W52 AromaticContact CE1-CH2 3.5Å; H37-W52 AromaticContact CE1-CZ2 3.63Å; H37-W52 AromaticContact CG-CD2 3.68Å; H37-W52 AromaticContact CG-CE2 3.47Å; H37-W52 VanDerWaalsContact CG-CE2 3.47Å; H37-W52 AromaticContact CG-CZ2 3.67Å; H37-W52 AromaticContact CG-NE1 3.83Å; H37-W52 AromaticContact ND1-CE3 3.97Å; H37-W52 AromaticContact ND1-CH2 3.7Å; H37-W52 AromaticContact ND1-CZ2 3.82Å; H37-W52 AromaticContact ND1-CZ3 3.76Å; H37-W52 AromaticContact NE2-CE2 3.92Å; H37-W52 AromaticContact NE2-CH2 3.72Å; H37-W52 AromaticContact NE2-CZ2 3.36Å; H37-W52 WeakPolarHBondContact NE2-CZ2 3.35Å
38G88.8Confident82Confident9 Ų964.9 Ų64.99%0.09339%0.388CS..EExtended strand (participates in β ladder)trans179.6-174.1178.400000113.8D34 R47 D49D34-G38 PolarHBondContact O-N 3.22Å; D34-G38 VanDerWaalsContact O-N 3.17Å; G38-R47 CarbonylContact C-O 3.59Å; G38-R47 VanDerWaalsContact CA-O 3.28Å; G38-R47 WeakPolarHBondContact CA-O 3.44Å; G38-D49 PolarHBondContact N-OD2 3.23Å
39C88.4Confident83.5Confident59 Ų5962.3 Ų62.340%0.39937%0.374SS..EExtended strand (participates in β ladder)trans-138156.2-178.758.10000111.7R47C39-R47 PolarHBondContact N-O 3.39Å; C39-R47 PolarHBondContact O-N 3.08Å
40C87.6Confident85Confident49 Ų4967.7 Ų67.733%0.33141%0.409SS..EExtended strand (participates in β ladder)trans-83.7132.3176.3-170.20000112C29C29-C40 HydrophobicContact CB-CB 3.65Å; C29-C40 WeakPolarHBondContact CB-SG 3.28Å; C29-C40 WeakPolarHBondContact SG-CB 3.36Å; C29-C40 CovalentContact SG-SG 2.01Å; C29-C40 PolarHBondContact SG-SG 3.33Å
41A84.2Confident86.5Confident7 Ų764 Ų646%0.05838%0.384CS..  trans-83.6157.4171.500000111.8D43 G44 S45A41-D43 WeakPolarHBondContact CB-OD1 3.15Å; A41-D43 PolarHBondContact O-N 3.38Å; A41-G44 PolarHBondContact O-N 2.86Å; A41-S45 WeakPolarHBondContact CB-O 3.2Å; A41-S45 PolarHBondContact N-O 2.7Å
42P77.9Confident87.8Confident122 Ų12262.2 Ų62.279%0.79237%0.365SS*.THydrogen-bonded Turntrans-61.5-17.9-177.2-24.234.5000115.3G44P42-G44 VanDerWaalsContact C-N 3.33Å
43D83Confident88.5Confident113 Ų11360.8 Ų60.860%0.60436%0.359SS*.THydrogen-bonded Turntrans-88.31.8176.864.4-11000113.4A41 S45A41-D43 WeakPolarHBondContact CB-OD1 3.15Å; A41-D43 PolarHBondContact O-N 3.38Å; D43-S45 WeakPolarHBondContact OD1-CB 3.12Å; D43-S45 PolarHBondContact OD1-N 2.69Å; D43-S45 VanDerWaalsContact OD1-N 3.12Å; D43-S45 PolarHBondContact OD1-OG 3.44Å; D43-S45 PolarHBondContact OD2-OG 2.04Å
44G77.4Confident88.7Confident41 Ų4161.4 Ų61.442%0.42337%0.367SS..SBendtrans85.56.1-178.600000114.6A41 P42A41-G44 PolarHBondContact O-N 2.86Å; P42-G44 VanDerWaalsContact C-N 3.33Å
45S84.9Confident88.7Confident54 Ų5465.2 Ų65.238%0.37839%0.386SS..  trans-86.7151.6175.367.50000112.8A41 D43A41-S45 WeakPolarHBondContact CB-O 3.2Å; A41-S45 PolarHBondContact N-O 2.7Å; D43-S45 WeakPolarHBondContact OD1-CB 3.12Å; D43-S45 PolarHBondContact OD1-N 2.69Å; D43-S45 VanDerWaalsContact OD1-N 3.12Å; D43-S45 PolarHBondContact OD1-OG 3.44Å; D43-S45 PolarHBondContact OD2-OG 2.04Å
46C89Confident88.9Confident28 Ų2863.8 Ų63.819%0.18938%0.377CS..EExtended strand (participates in β ladder)trans-83.5127.5173.5-49.70000110.6C33 L55C33-C46 WeakPolarHBondContact CA-SG 3.45Å; C33-C46 HydrophobicContact CB-CB 3.94Å; C33-C46 WeakPolarHBondContact CB-SG 3.04Å; C33-C46 VanDerWaalsContact SG-CA 3.57Å; C33-C46 WeakPolarHBondContact SG-CB 3.05Å; C33-C46 CovalentContact SG-SG 2.02Å; C33-C46 PolarHBondContact SG-SG 3.28Å; C46-L55 VanDerWaalsContact CB-O 3.32Å; C46-L55 WeakPolarHBondContact CB-O 3.14Å; C46-L55 PolarHBondContact SG-O 2.97Å
47R91.3Very high89.1Confident161 Ų16160.4 Ų60.461%0.60835%0.349SS*.EExtended strand (participates in β ladder)trans-103.5110.4170.2-179.6-174.5-59.1-84.2-6108.9G38 C39G38-R47 CarbonylContact C-O 3.59Å; G38-R47 VanDerWaalsContact CA-O 3.28Å; G38-R47 WeakPolarHBondContact CA-O 3.44Å; C39-R47 PolarHBondContact N-O 3.39Å; C39-R47 PolarHBondContact O-N 3.08Å
48C93.5Very high89.1Confident38 Ų3862.2 Ų62.226%0.25736%0.358SS..EExtended strand (participates in β ladder)trans-78.9147-175.8-50.80000113.1W52 C57C48-W52 HydrophobicContact CB-CB 4.12Å; C48-W52 VanDerWaalsContact CB-O 3.29Å; C48-W52 WeakPolarHBondContact CB-O 3.24Å; C48-C57 WeakPolarHBondContact CA-SG 3.29Å; C48-C57 HydrophobicContact CB-CB 3.68Å; C48-C57 WeakPolarHBondContact CB-SG 3.39Å; C48-C57 PolarHBondContact N-SG 3.43Å; C48-C57 VanDerWaalsContact N-SG 3.38Å; C48-C57 WeakPolarHBondContact SG-CA 3.26Å; C48-C57 WeakPolarHBondContact SG-CB 3.41Å; C48-C57 CovalentContact SG-SG 2.05Å; C48-C57 PolarHBondContact SG-SG 2.78Å
49D94.3Very high89.4Confident68 Ų6868.4 Ų68.436%0.36438%0.379SS..PPolyproline II helixtrans-67.7155.8172.4-70.8-29.8000110.8H37 G38 G51 W52H37-D49 WeakPolarHBondContact O-CB 3.21Å; H37-D49 PolarHBondContact O-N 2.82Å; G38-D49 PolarHBondContact N-OD2 3.23Å; D49-G51 PolarHBondContact O-N 2.6Å; D49-G51 VanDerWaalsContact O-N 3.09Å; D49-W52 PolarHBondContact O-N 3.45Å
50P94.8Very high89.7Confident119 Ų11966.3 Ų66.377%0.77336%0.364SS*.THydrogen-bonded Turntrans-54.4119.7179.9-26.535.2000112.4
51G93.4Very high90.1Very high5 Ų565.5 Ų65.55%0.05236%0.358CS..THydrogen-bonded Turntrans98.53.7-179.100000114.9D49 V61 P74 W75D49-G51 PolarHBondContact O-N 2.6Å; D49-G51 VanDerWaalsContact O-N 3.09Å; G51-V61 WeakPolarHBondContact O-CB 3.14Å; G51-V61 PolarHBondContact O-N 3Å; G51-P74 WeakPolarHBondContact O-CB 3.45Å; G51-P74 WeakPolarHBondContact O-CG 3.31Å; G51-W75 VanDerWaalsContact CA-CZ2 3.49Å
52W95.2Very high90.6Very high41 Ų4170.3 Ų70.316%0.15538%0.375CS..EExtended strand (participates in β ladder)trans-117.9147170.7-63.693.9000111.1H37 C48 D49 R59 C60 P74H37-W52 HydrophobicContact CB-CB 4.31Å; H37-W52 HydrophobicContact CB-CD2 3.66Å; H37-W52 HydrophobicContact CB-CE3 4.14Å; H37-W52 HydrophobicContact CB-CG 3.7Å; H37-W52 AromaticContact CD2-CE2 3.4Å; H37-W52 VanDerWaalsContact CD2-CE2 3.4Å; H37-W52 AromaticContact CD2-CZ2 3.37Å; H37-W52 WeakPolarHBondContact CD2-CZ2 3.46Å; H37-W52 AromaticContact CD2-NE1 3.59Å; H37-W52 AromaticContact CE1-CH2 3.5Å; H37-W52 AromaticContact CE1-CZ2 3.63Å; H37-W52 AromaticContact CG-CD2 3.68Å; H37-W52 AromaticContact CG-CE2 3.47Å; H37-W52 VanDerWaalsContact CG-CE2 3.47Å; H37-W52 AromaticContact CG-CZ2 3.67Å; H37-W52 AromaticContact CG-NE1 3.83Å; H37-W52 AromaticContact ND1-CE3 3.97Å; H37-W52 AromaticContact ND1-CH2 3.7Å; H37-W52 AromaticContact ND1-CZ2 3.82Å; H37-W52 AromaticContact ND1-CZ3 3.76Å; H37-W52 AromaticContact NE2-CE2 3.92Å; H37-W52 AromaticContact NE2-CH2 3.72Å; H37-W52 AromaticContact NE2-CZ2 3.36Å; H37-W52 WeakPolarHBondContact NE2-CZ2 3.35Å; C48-W52 HydrophobicContact CB-CB 4.12Å; C48-W52 VanDerWaalsContact CB-O 3.29Å; C48-W52 WeakPolarHBondContact CB-O 3.24Å; D49-W52 PolarHBondContact O-N 3.45Å; W52-R59 CarbonylContact C-O 3.53Å; W52-R59 WeakPolarHBondContact CA-O 3.32Å; W52-C60 HydrophobicContact CE3-CB 4.45Å; W52-C60 HydrophobicContact CZ3-CB 4.3Å; W52-P74 HydrophobicContact CD2-CG 4.28Å; W52-P74 HydrophobicContact CG-CG 4.49Å; W52-P74 HydrophobicContact CZ2-CG 3.97Å
53E93.7Very high91.4Very high81 Ų8166.9 Ų66.938%0.37935%0.348SS..EExtended strand (participates in β ladder)trans-145.4173-178.264.3173.2-164.500111R59 V61E53-R59 HydrophobicContact CG-CB 4.16Å; E53-R59 PolarHBondContact N-O 3.2Å; E53-R59 PolarHBondContact O-N 3.23Å; E53-R59 VanDerWaalsContact O-N 3.07Å; E53-R59 VanDerWaalsContact O-O 3.11Å; E53-V61 HydrophobicContact CB-CG2 3.69Å; E53-V61 HydrophobicContact CG-CG2 3.72Å
54G90.8Very high91.9Very high24 Ų2466 Ų6625%0.24735%0.349CS..SBendtrans108.5166.8-17200000111.5H56G54-H56 PolarHBondContact O-N 2.85Å
55L89.4Confident92.5Very high135 Ų13566.5 Ų66.571%0.70736%0.355SS*.SBendtrans-68.6-21178.7-172.564.7000111.2C46C46-L55 VanDerWaalsContact CB-O 3.32Å; C46-L55 WeakPolarHBondContact CB-O 3.14Å; C46-L55 PolarHBondContact SG-O 2.97Å
56H90.6Very high93Very high64 Ų6464.7 Ų64.730%0.29634%0.341SS..SBendtrans-124.79.1-172.9-59.9-47.9000112.7H32 D34 G54 E58H32-H56 WeakPolarHBondContact O-CB 3.35Å; H32-H56 PolarHBondContact O-ND1 3.09Å; D34-H56 WeakPolarHBondContact CB-O 3.5Å; D34-H56 PolarHBondContact N-O 2.96Å; G54-H56 PolarHBondContact O-N 2.85Å; H56-E58 WeakPolarHBondContact CA-OE2 3.18Å; H56-E58 WeakPolarHBondContact CB-OE2 3.34Å; H56-E58 PolarHBondContact N-OE2 2.99Å; H56-E58 PolarHBondContact O-N 2.84Å
57C92.1Very high93.2Very high0 Ų069 Ų690%036%0.359CS..SBendtrans60.728.8-178.2-47.70000114.3C48C48-C57 WeakPolarHBondContact CA-SG 3.29Å; C48-C57 HydrophobicContact CB-CB 3.68Å; C48-C57 WeakPolarHBondContact CB-SG 3.39Å; C48-C57 PolarHBondContact N-SG 3.43Å; C48-C57 VanDerWaalsContact N-SG 3.38Å; C48-C57 WeakPolarHBondContact SG-CA 3.26Å; C48-C57 WeakPolarHBondContact SG-CB 3.41Å; C48-C57 CovalentContact SG-SG 2.05Å; C48-C57 PolarHBondContact SG-SG 2.78Å
58E91Very high93.1Very high89 Ų8964.4 Ų64.442%0.41634%0.344SS..  trans-91.2-11-172.875.4-68.8174.500113.7H56H56-E58 WeakPolarHBondContact CA-OE2 3.18Å; H56-E58 WeakPolarHBondContact CB-OE2 3.34Å; H56-E58 PolarHBondContact N-OE2 2.99Å; H56-E58 PolarHBondContact O-N 2.84Å
59R93.9Very high93Very high139 Ų13962.6 Ų62.653%0.52533%0.332SS..EExtended strand (participates in β ladder)trans-114.5137.2-178.5-64.5-172.4-69.3145.86.2111W52 E53W52-R59 CarbonylContact C-O 3.53Å; W52-R59 WeakPolarHBondContact CA-O 3.32Å; E53-R59 HydrophobicContact CG-CB 4.16Å; E53-R59 PolarHBondContact N-O 3.2Å; E53-R59 PolarHBondContact O-N 3.23Å; E53-R59 VanDerWaalsContact O-N 3.07Å; E53-R59 VanDerWaalsContact O-O 3.11Å
60C95.8Very high93Very high15 Ų1562.3 Ų62.310%0.10133%0.333CS..EExtended strand (participates in β ladder)trans-72.4143.7170510000110.6W52 R62 C71W52-C60 HydrophobicContact CE3-CB 4.45Å; W52-C60 HydrophobicContact CZ3-CB 4.3Å; C60-R62 PolarHBondContact O-N 2.81Å; C60-C71 VanDerWaalsContact C-SG 3.51Å; C60-C71 HydrophobicContact CB-CB 4.1Å; C60-C71 WeakPolarHBondContact CB-SG 3.41Å; C60-C71 PolarHBondContact O-SG 3.48Å; C60-C71 WeakPolarHBondContact SG-CB 3.23Å; C60-C71 PolarHBondContact SG-O 3.29Å; C60-C71 CovalentContact SG-SG 2.03Å; C60-C71 PolarHBondContact SG-SG 3.01Å
61V95.8Very high93Very high32 Ų3257.6 Ų57.619%0.19430%0.302CS..PPolyproline II helixtrans-78.2120.2167.9179.40000107.7G51 E53 W75G51-V61 WeakPolarHBondContact O-CB 3.14Å; G51-V61 PolarHBondContact O-N 3Å; E53-V61 HydrophobicContact CB-CG2 3.69Å; E53-V61 HydrophobicContact CG-CG2 3.72Å; V61-W75 HydrophobicContact CB-CH2 4.37Å; V61-W75 HydrophobicContact CB-CZ3 4.19Å; V61-W75 HydrophobicContact CG1-CE3 4.2Å; V61-W75 HydrophobicContact CG1-CH2 3.95Å; V61-W75 HydrophobicContact CG1-CZ3 3.53Å; V61-W75 PolarHBondContact O-N 3.37Å
62R95.4Very high93Very high108 Ų10863.9 Ų63.941%0.40833%0.33SS..PPolyproline II helixtrans-64.7157175.7-65.2-178.6-67.1165.64.9111C60 C66 G69 C71 Q76C60-R62 PolarHBondContact O-N 2.81Å; R62-C66 HydrophobicContact CB-CB 4.06Å; R62-G69 WeakPolarHBondContact CD-O 2.99Å; R62-G69 PolarHBondContact NH1-O 3.38Å; R62-C71 HydrophobicContact CG-CB 4.07Å; R62-C71 VanDerWaalsContact CG-SG 3.57Å; R62-Q76 WeakPolarHBondContact CA-O 3.35Å
63M94.1Very high92.9Very high49 Ų4967 Ų6724%0.24135%0.347CS..PPolyproline II helixtrans-52.9132.6173.9-166.3175.2-66.700110.6G65 C66 W75 Q76 C77 K86 F87M63-G65 PolarHBondContact O-N 3.4Å; M63-C66 WeakPolarHBondContact O-CB 3.47Å; M63-C66 PolarHBondContact O-N 3Å; M63-W75 WeakPolarHBondContact CE-O 3.19Å; M63-Q76 PolarHBondContact N-O 3.09Å; M63-C77 HydrophobicContact CB-CB 4.11Å; M63-K86 HydrophobicContact SD-CG 4.16Å; M63-F87 HydrophobicContact CG-CD1 4.47Å; M63-F87 HydrophobicContact CG-CE1 4.08Å; M63-F87 HydrophobicContact SD-CD1 4.19Å; M63-F87 HydrophobicContact SD-CE1 3.71Å
64P93.8Very high93Very high94 Ų9464.6 Ų64.661%0.6134%0.338SS*.THydrogen-bonded Turntrans-55.6125.3177.4-26.134.6000110.9W75 F87P64-W75 HydrophobicContact CG-CE3 4.45Å; P64-W75 HydrophobicContact CG-CZ3 4.18Å; P64-F87 VanDerWaalsContact O-CE1 3.29Å; P64-F87 WeakPolarHBondContact O-CE1 3.04Å
65G90.6Very high93.1Very high53 Ų5369.4 Ų69.455%0.54635%0.348SS..THydrogen-bonded Turntrans96.8-4.8-175.200000115.3M63 Q67M63-G65 PolarHBondContact O-N 3.4Å; G65-Q67 PolarHBondContact O-N 2.87Å; G65-Q67 VanDerWaalsContact O-N 3.15Å
66C94.2Very high93.3Very high15 Ų1566.5 Ų66.510%0.10133%0.331CS..  trans-62.2112174.7-1700000111.3R62 M63 C77 F87R62-C66 HydrophobicContact CB-CB 4.06Å; M63-C66 WeakPolarHBondContact O-CB 3.47Å; M63-C66 PolarHBondContact O-N 3Å; C66-C77 VanDerWaalsContact CA-SG 3.54Å; C66-C77 HydrophobicContact CB-CB 3.76Å; C66-C77 WeakPolarHBondContact CB-SG 3.48Å; C66-C77 WeakPolarHBondContact SG-CB 3.41Å; C66-C77 CovalentContact SG-SG 2.03Å; C66-C77 PolarHBondContact SG-SG 2.84Å; C66-F87 WeakPolarHBondContact CA-O 3.32Å
67Q93.3Very high93.5Very high120 Ų12064.5 Ų64.556%0.56132%0.324SS*.SBendtrans-89.1-62.3-178.8-59.8-169.63000111.1G65 F87 D89G65-Q67 PolarHBondContact O-N 2.87Å; G65-Q67 VanDerWaalsContact O-N 3.15Å; Q67-F87 PolarHBondContact N-O 2.03Å; Q67-D89 HydrophobicContact CG-CB 4.45Å
68H90.4Very high93.4Very high63 Ų6367.7 Ų67.729%0.29234%0.34SS..SBendtrans-117.459.1-172.9-54.195.2000112.4H80 W83 C88H68-H80 PolarHBondContact O-N 2.81Å; H68-W83 HydrophobicContact CB-CB 4.06Å; H68-W83 HydrophobicContact CB-CD2 3.48Å; H68-W83 VanDerWaalsContact CB-CD2 3.48Å; H68-W83 HydrophobicContact CB-CE3 4.12Å; H68-W83 HydrophobicContact CB-CG 3.41Å; H68-W83 VanDerWaalsContact CB-CG 3.41Å; H68-W83 HydrophobicContact CB-CZ2 4.5Å; H68-W83 AromaticContact CD2-CE2 3.7Å; H68-W83 AromaticContact CD2-CZ2 3.71Å; H68-W83 AromaticContact CD2-NE1 3.96Å; H68-W83 AromaticContact CE1-CE2 3.91Å; H68-W83 AromaticContact CE1-CH2 3.22Å; H68-W83 WeakPolarHBondContact CE1-CH2 3.33Å; H68-W83 AromaticContact CE1-CZ2 3.41Å; H68-W83 VanDerWaalsContact CE1-CZ2 3.41Å; H68-W83 WeakPolarHBondContact CE1-CZ2 3.38Å; H68-W83 AromaticContact CE1-CZ3 3.57Å; H68-W83 AromaticContact CG-CD2 3.47Å; H68-W83 VanDerWaalsContact CG-CD2 3.47Å; H68-W83 AromaticContact CG-CE2 3.34Å; H68-W83 AromaticContact CG-CE3 3.87Å; H68-W83 AromaticContact CG-CG 3.97Å; H68-W83 AromaticContact CG-CZ2 3.67Å; H68-W83 AromaticContact CG-NE1 3.74Å; H68-W83 AromaticContact ND1-CD2 3.45Å; H68-W83 AromaticContact ND1-CE2 3.49Å; H68-W83 AromaticContact ND1-CE3 3.32Å; H68-W83 VanDerWaalsContact ND1-CE3 3.32Å; H68-W83 AromaticContact ND1-CH2 3.37Å; H68-W83 WeakPolarHBondContact ND1-CH2 3.17Å; H68-W83 AromaticContact ND1-CZ2 3.47Å; H68-W83 WeakPolarHBondContact ND1-CZ2 3.41Å; H68-W83 AromaticContact ND1-CZ3 3.29Å; H68-W83 VanDerWaalsContact ND1-CZ3 3.29Å; H68-W83 WeakPolarHBondContact ND1-CZ3 3.34Å; H68-W83 AromaticContact NE2-CH2 3.84Å; H68-W83 AromaticContact NE2-CZ2 3.58Å; H68-C88 HydrophobicContact CB-CB 4.37Å; H68-C88 WeakPolarHBondContact CB-O 3.42Å; H68-C88 PolarHBondContact N-O 2.85Å; H68-C88 PolarHBondContact ND1-O 2.88Å; H68-C88 VanDerWaalsContact O-CB 3.3Å; H68-C88 WeakPolarHBondContact O-CB 3.01Å
69G90.7Very high93.4Very high0 Ų065.5 Ų65.50%034%0.335CS..EExtended strand (participates in β ladder)trans-153.5167.8178.300000114.7R62 I78R62-G69 WeakPolarHBondContact CD-O 2.99Å; R62-G69 PolarHBondContact NH1-O 3.38Å; G69-I78 CarbonylContact C-O 3.55Å; G69-I78 WeakPolarHBondContact CA-O 3.38Å
70T94.6Very high93.1Very high63 Ų6363 Ų6339%0.38733%0.329SS..EExtended strand (participates in β ladder)trans-113.5-180176.960.20000111.7C77 I78 H80T70-C77 CarbonylContact O-C 3.56Å; T70-C77 WeakPolarHBondContact O-CA 3.46Å; T70-I78 PolarHBondContact N-O 2.02Å; T70-I78 PolarHBondContact O-N 3.36Å; T70-H80 VanDerWaalsContact CG2-NE2 3.27Å; T70-H80 WeakPolarHBondContact CG2-NE2 3.46Å
71C95Very high92.5Very high19 Ų1967.9 Ų67.913%0.12836%0.363CS..  trans-137151.6172.656.70000110.5C60 R62 Q73 Q76C60-C71 VanDerWaalsContact C-SG 3.51Å; C60-C71 HydrophobicContact CB-CB 4.1Å; C60-C71 WeakPolarHBondContact CB-SG 3.41Å; C60-C71 PolarHBondContact O-SG 3.48Å; C60-C71 WeakPolarHBondContact SG-CB 3.23Å; C60-C71 PolarHBondContact SG-O 3.29Å; C60-C71 CovalentContact SG-SG 2.03Å; C60-C71 PolarHBondContact SG-SG 3.01Å; R62-C71 HydrophobicContact CG-CB 4.07Å; R62-C71 VanDerWaalsContact CG-SG 3.57Å; C71-Q73 WeakPolarHBondContact CB-O 3.43Å; C71-Q76 HydrophobicContact CB-CB 4Å
72H93.6Very high91.3Very high138 Ų13866.7 Ų66.764%0.63936%0.357SS*.SBendtrans-110.7-27.1165.7-67.1-46.4000111.6I78H72-I78 HydrophobicContact CB-CD1 4.33Å; H72-I78 WeakPolarHBondContact CD2-CD1 3.02Å
73Q92.7Very high90.7Very high107 Ų10764.7 Ų64.750%0.535%0.349SS..SBendtrans-124.1155.5171.2-63.6-65.7-47.900109.6C71 W75 Q76C71-Q73 WeakPolarHBondContact CB-O 3.43Å; Q73-W75 PolarHBondContact O-N 3.12Å; Q73-Q76 HydrophobicContact CB-CG 4.23Å; Q73-Q76 WeakPolarHBondContact O-CB 3.35Å; Q73-Q76 WeakPolarHBondContact O-CG 3.19Å; Q73-Q76 PolarHBondContact O-N 3.46Å
74P94.5Very high89.8Confident29 Ų2964 Ų6419%0.18835%0.352CS..THydrogen-bonded Turntrans-49.3142175.4-29.636.4000113G51 W52 Q76G51-P74 WeakPolarHBondContact O-CB 3.45Å; G51-P74 WeakPolarHBondContact O-CG 3.31Å; W52-P74 HydrophobicContact CD2-CG 4.28Å; W52-P74 HydrophobicContact CG-CG 4.49Å; W52-P74 HydrophobicContact CZ2-CG 3.97Å; P74-Q76 PolarHBondContact O-N 3.15Å
75W93.7Very high89Confident125 Ų12561.2 Ų61.247%0.47334%0.34SS..THydrogen-bonded Turntrans65.719175.5-41113.8000115.3G51 V61 M63 P64 Q73G51-W75 VanDerWaalsContact CA-CZ2 3.49Å; V61-W75 HydrophobicContact CB-CH2 4.37Å; V61-W75 HydrophobicContact CB-CZ3 4.19Å; V61-W75 HydrophobicContact CG1-CE3 4.2Å; V61-W75 HydrophobicContact CG1-CH2 3.95Å; V61-W75 HydrophobicContact CG1-CZ3 3.53Å; V61-W75 PolarHBondContact O-N 3.37Å; M63-W75 WeakPolarHBondContact CE-O 3.19Å; P64-W75 HydrophobicContact CG-CE3 4.45Å; P64-W75 HydrophobicContact CG-CZ3 4.18Å; Q73-W75 PolarHBondContact O-N 3.12Å
76Q93.9Very high88.7Confident74 Ų7465.8 Ų65.835%0.34635%0.345SS..  trans-91.1158.9168.7-65.8-179.1-27.400111.7R62 M63 C71 Q73 P74R62-Q76 WeakPolarHBondContact CA-O 3.35Å; M63-Q76 PolarHBondContact N-O 3.09Å; C71-Q76 HydrophobicContact CB-CB 4Å; Q73-Q76 HydrophobicContact CB-CG 4.23Å; Q73-Q76 WeakPolarHBondContact O-CB 3.35Å; Q73-Q76 WeakPolarHBondContact O-CG 3.19Å; Q73-Q76 PolarHBondContact O-N 3.46Å; P74-Q76 PolarHBondContact O-N 3.15Å
77C93.9Very high88.5Confident23 Ų2368.6 Ų68.616%0.15536%0.355CS..  trans-141.592.9169-172.70000107.5M63 C66 T70 C88M63-C77 HydrophobicContact CB-CB 4.11Å; C66-C77 VanDerWaalsContact CA-SG 3.54Å; C66-C77 HydrophobicContact CB-CB 3.76Å; C66-C77 WeakPolarHBondContact CB-SG 3.48Å; C66-C77 WeakPolarHBondContact SG-CB 3.41Å; C66-C77 CovalentContact SG-SG 2.03Å; C66-C77 PolarHBondContact SG-SG 2.84Å; T70-C77 CarbonylContact O-C 3.56Å; T70-C77 WeakPolarHBondContact O-CA 3.46Å; C77-C88 PolarHBondContact SG-SG 3.23Å
78I90.9Very high88.3Confident66 Ų6662.9 Ų62.934%0.33833%0.329SS..EExtended strand (participates in β ladder)trans-90.3112.6179-56.5171.7000106.6G69 T70 H72G69-I78 CarbonylContact C-O 3.55Å; G69-I78 WeakPolarHBondContact CA-O 3.38Å; T70-I78 PolarHBondContact N-O 2.02Å; T70-I78 PolarHBondContact O-N 3.36Å; H72-I78 HydrophobicContact CB-CD1 4.33Å; H72-I78 WeakPolarHBondContact CD2-CD1 3.02Å
79C90.4Very high88.1Confident44 Ų4463.2 Ų63.230%0.29733%0.333SS..EExtended strand (participates in β ladder)trans-68.7142-171.5-550000113W83 G85 C88C79-W83 HydrophobicContact CB-CB 4.16Å; C79-W83 WeakPolarHBondContact CB-O 3.33Å; C79-G85 PolarHBondContact SG-O 3.42Å; C79-C88 WeakPolarHBondContact CA-SG 2.99Å; C79-C88 HydrophobicContact CB-CB 3.74Å; C79-C88 WeakPolarHBondContact CB-SG 3.05Å; C79-C88 PolarHBondContact N-SG 3.5Å; C79-C88 VanDerWaalsContact N-SG 3.37Å; C79-C88 VanDerWaalsContact SG-CA 3.51Å; C79-C88 WeakPolarHBondContact SG-CB 3.01Å; C79-C88 CovalentContact SG-SG 2.03Å; C79-C88 PolarHBondContact SG-SG 2.03Å
80H88.1Confident87.3Confident87 Ų8769.7 Ų69.740%0.40336%0.361SS..PPolyproline II helixtrans-66.7156.1166.2-58.8166.5000109.4H68 T70 G82 W83H68-H80 PolarHBondContact O-N 2.81Å; T70-H80 VanDerWaalsContact CG2-NE2 3.27Å; T70-H80 WeakPolarHBondContact CG2-NE2 3.46Å; H80-G82 PolarHBondContact O-N 3.33Å; H80-W83 PolarHBondContact O-N 2.8Å; H80-W83 VanDerWaalsContact O-N 3.1Å
81S82.3Confident86.3Confident117 Ų11769.6 Ų69.682%0.81836%0.358SS*.THydrogen-bonded Turntrans-53.1129.5174.5560000110.8
82G71.7Confident85.1Confident6 Ų672.5 Ų72.56%0.06237%0.37CS..THydrogen-bonded Turntrans95.94.6-177.600000113.6H80 E92H80-G82 PolarHBondContact O-N 3.33Å; G82-E92 WeakPolarHBondContact CA-OE2 3.01Å; G82-E92 PolarHBondContact N-OE2 3.31Å; G82-E92 WeakPolarHBondContact O-CB 3.45Å; G82-E92 PolarHBondContact O-N 2.85Å
83W82.1Confident84Confident66 Ų6670.3 Ų70.325%0.2536%0.359CS..EExtended strand (participates in β ladder)trans-133.8140.7-179.9-65.589000111.9H68 C79 H80 C88 K90 D91 E92H68-W83 HydrophobicContact CB-CB 4.06Å; H68-W83 HydrophobicContact CB-CD2 3.48Å; H68-W83 VanDerWaalsContact CB-CD2 3.48Å; H68-W83 HydrophobicContact CB-CE3 4.12Å; H68-W83 HydrophobicContact CB-CG 3.41Å; H68-W83 VanDerWaalsContact CB-CG 3.41Å; H68-W83 HydrophobicContact CB-CZ2 4.5Å; H68-W83 AromaticContact CD2-CE2 3.7Å; H68-W83 AromaticContact CD2-CZ2 3.71Å; H68-W83 AromaticContact CD2-NE1 3.96Å; H68-W83 AromaticContact CE1-CE2 3.91Å; H68-W83 AromaticContact CE1-CH2 3.22Å; H68-W83 WeakPolarHBondContact CE1-CH2 3.33Å; H68-W83 AromaticContact CE1-CZ2 3.41Å; H68-W83 VanDerWaalsContact CE1-CZ2 3.41Å; H68-W83 WeakPolarHBondContact CE1-CZ2 3.38Å; H68-W83 AromaticContact CE1-CZ3 3.57Å; H68-W83 AromaticContact CG-CD2 3.47Å; H68-W83 VanDerWaalsContact CG-CD2 3.47Å; H68-W83 AromaticContact CG-CE2 3.34Å; H68-W83 AromaticContact CG-CE3 3.87Å; H68-W83 AromaticContact CG-CG 3.97Å; H68-W83 AromaticContact CG-CZ2 3.67Å; H68-W83 AromaticContact CG-NE1 3.74Å; H68-W83 AromaticContact ND1-CD2 3.45Å; H68-W83 AromaticContact ND1-CE2 3.49Å; H68-W83 AromaticContact ND1-CE3 3.32Å; H68-W83 VanDerWaalsContact ND1-CE3 3.32Å; H68-W83 AromaticContact ND1-CH2 3.37Å; H68-W83 WeakPolarHBondContact ND1-CH2 3.17Å; H68-W83 AromaticContact ND1-CZ2 3.47Å; H68-W83 WeakPolarHBondContact ND1-CZ2 3.41Å; H68-W83 AromaticContact ND1-CZ3 3.29Å; H68-W83 VanDerWaalsContact ND1-CZ3 3.29Å; H68-W83 WeakPolarHBondContact ND1-CZ3 3.34Å; H68-W83 AromaticContact NE2-CH2 3.84Å; H68-W83 AromaticContact NE2-CZ2 3.58Å; C79-W83 HydrophobicContact CB-CB 4.16Å; C79-W83 WeakPolarHBondContact CB-O 3.33Å; H80-W83 PolarHBondContact O-N 2.8Å; H80-W83 VanDerWaalsContact O-N 3.1Å; W83-C88 HydrophobicContact CB-CB 4.21Å; W83-K90 CarbonylContact C-O 3.47Å; W83-K90 WeakPolarHBondContact CA-O 3.04Å; W83-D91 HydrophobicContact CZ3-CB 4.46Å; W83-E92 PolarHBondContact N-OE2 2.81Å
84A76.6Confident83.2Confident36 Ų3667 Ų6730%0.29835%0.345SS..EExtended strand (participates in β ladder)trans-136.4168.8-176.600000111.8C88 D89 K90A84-C88 WeakPolarHBondContact O-CA 3.06Å; A84-D89 PolarHBondContact O-N 3.01Å; A84-K90 PolarHBondContact N-O 2.84Å; A84-K90 WeakPolarHBondContact O-CB 3.2Å; A84-K90 PolarHBondContact O-N 2.8Å; A84-K90 VanDerWaalsContact O-N 3.11Å
85G76.9Confident82.5Confident34 Ų3466.5 Ų66.535%0.35134%0.342SS..THydrogen-bonded Turntrans94.2166.118000000113.6C79 F87 C88C79-G85 PolarHBondContact SG-O 3.42Å; G85-F87 PolarHBondContact O-N 3.07Å; G85-F87 VanDerWaalsContact O-N 3.13Å; G85-C88 PolarHBondContact O-N 2.93Å; G85-C88 VanDerWaalsContact O-N 3.12Å
86K83.1Confident81.6Confident150 Ų15065.8 Ų65.865%0.65235%0.351SS*.THydrogen-bonded Turntrans-60.5-25-174.8-173.7176.3178.1-178.70113.3M63M63-K86 HydrophobicContact SD-CG 4.16Å
87F89.3Confident80.7Confident74 Ų7465.7 Ų65.733%0.32536%0.356SS..THydrogen-bonded Turntrans-115.58.9-179.6-58-66.8000113.2M63 P64 C66 Q67 G85 D89M63-F87 HydrophobicContact CG-CD1 4.47Å; M63-F87 HydrophobicContact CG-CE1 4.08Å; M63-F87 HydrophobicContact SD-CD1 4.19Å; M63-F87 HydrophobicContact SD-CE1 3.71Å; P64-F87 VanDerWaalsContact O-CE1 3.29Å; P64-F87 WeakPolarHBondContact O-CE1 3.04Å; C66-F87 WeakPolarHBondContact CA-O 3.32Å; Q67-F87 PolarHBondContact N-O 2.03Å; G85-F87 PolarHBondContact O-N 3.07Å; G85-F87 VanDerWaalsContact O-N 3.13Å; F87-D89 HydrophobicContact CB-CB 4.33Å; F87-D89 PolarHBondContact O-N 2.88Å
88C89.4Confident80Confident0 Ų070.8 Ų70.80%038%0.377CS..THydrogen-bonded Turntrans49.442.5-175.7-48.60000112.2H68 C77 C79 W83 A84 G85H68-C88 HydrophobicContact CB-CB 4.37Å; H68-C88 WeakPolarHBondContact CB-O 3.42Å; H68-C88 PolarHBondContact N-O 2.85Å; H68-C88 PolarHBondContact ND1-O 2.88Å; H68-C88 VanDerWaalsContact O-CB 3.3Å; H68-C88 WeakPolarHBondContact O-CB 3.01Å; C77-C88 PolarHBondContact SG-SG 3.23Å; C79-C88 WeakPolarHBondContact CA-SG 2.99Å; C79-C88 HydrophobicContact CB-CB 3.74Å; C79-C88 WeakPolarHBondContact CB-SG 3.05Å; C79-C88 PolarHBondContact N-SG 3.5Å; C79-C88 VanDerWaalsContact N-SG 3.37Å; C79-C88 VanDerWaalsContact SG-CA 3.51Å; C79-C88 WeakPolarHBondContact SG-CB 3.01Å; C79-C88 CovalentContact SG-SG 2.03Å; C79-C88 PolarHBondContact SG-SG 2.03Å; W83-C88 HydrophobicContact CB-CB 4.21Å; A84-C88 WeakPolarHBondContact O-CA 3.06Å; G85-C88 PolarHBondContact O-N 2.93Å; G85-C88 VanDerWaalsContact O-N 3.12Å
89D86.2Confident79.6Confident70 Ų7071.5 Ų71.537%0.37439%0.388SS..  trans-105.7-4.9-176.861.5-43.2000112.2Q67 A84 F87Q67-D89 HydrophobicContact CG-CB 4.45Å; A84-D89 PolarHBondContact O-N 3.01Å; F87-D89 HydrophobicContact CB-CB 4.33Å; F87-D89 PolarHBondContact O-N 2.88Å
90K75.6Confident79.6Confident136 Ų13670.5 Ų70.559%0.59138%0.381SS*.EExtended strand (participates in β ladder)trans-104.9130.3176-56.1-176.4179.2-175.90109.9W83 A84W83-K90 CarbonylContact C-O 3.47Å; W83-K90 WeakPolarHBondContact CA-O 3.04Å; A84-K90 PolarHBondContact N-O 2.84Å; A84-K90 WeakPolarHBondContact O-CB 3.2Å; A84-K90 PolarHBondContact O-N 2.8Å; A84-K90 VanDerWaalsContact O-N 3.11Å
91D73Confident79.8Confident60 Ų6067.2 Ų67.232%0.32137%0.368SS..EExtended strand (participates in β ladder)trans-74125.9175.6-162.1-52.3000110.1W83 H93 T97W83-D91 HydrophobicContact CZ3-CB 4.46Å; D91-H93 VanDerWaalsContact C-N 3.31Å; D91-H93 WeakPolarHBondContact OD1-CA 3.46Å; D91-H93 PolarHBondContact OD1-N 2.77Å; D91-T97 WeakPolarHBondContact OD2-CG2 3.36Å
92E69.8Low80.2Confident81 Ų8166.4 Ų66.438%0.37935%0.351SS..SBendtrans-80.2-13.1-178.3-162.3174.3-172.900111.6G82 W83 I94 Y109G82-E92 WeakPolarHBondContact CA-OE2 3.01Å; G82-E92 PolarHBondContact N-OE2 3.31Å; G82-E92 WeakPolarHBondContact O-CB 3.45Å; G82-E92 PolarHBondContact O-N 2.85Å; W83-E92 PolarHBondContact N-OE2 2.81Å; E92-I94 PolarHBondContact O-N 2.94Å; E92-Y109 PolarHBondContact O-OH 3.25Å; E92-Y109 VanDerWaalsContact O-OH 3.1Å
93H69.3Low81.1Confident92 Ų9269.8 Ų69.843%0.42637%0.368SS..  trans-10248.6-179.5-64.5-55.2000114.2D91 C95 T96 T97 Y109D91-H93 VanDerWaalsContact C-N 3.31Å; D91-H93 WeakPolarHBondContact OD1-CA 3.46Å; D91-H93 PolarHBondContact OD1-N 2.77Å; H93-C95 PolarHBondContact O-N 2.83Å; H93-T96 WeakPolarHBondContact CB-OG1 3.25Å; H93-T96 PolarHBondContact O-N 2.9Å; H93-T96 PolarHBondContact O-OG1 2.02Å; H93-T97 PolarHBondContact O-N 3.26Å; H93-T97 VanDerWaalsContact O-N 3.15Å; H93-T97 PolarHBondContact O-OG1 2.04Å; H93-Y109 WeakPolarHBondContact CA-OH 3.49Å
94I76.3Confident81.4Confident37 Ų3769.5 Ų69.519%0.1939%0.386CS..Hα-helixtrans-40.7-36.2173.5-168.4164000115.2E92 T96 Q98 S99 P100 Y109 Y115E92-I94 PolarHBondContact O-N 2.94Å; I94-T96 VanDerWaalsContact C-N 3.3Å; I94-T96 PolarHBondContact O-N 2.77Å; I94-Q98 HydrophobicContact CG1-CB 4.01Å; I94-Q98 HydrophobicContact CG1-CG 4.3Å; I94-Q98 PolarHBondContact O-N 3.45Å; I94-S99 PolarHBondContact O-N 3.04Å; I94-S99 VanDerWaalsContact O-N 3.17Å; I94-P100 HydrophobicContact CG1-CG 4.18Å; I94-P100 WeakPolarHBondContact O-CD 3.46Å; I94-Y109 HydrophobicContact CG2-CE1 4.12Å; I94-Y109 WeakPolarHBondContact CG2-OH 3.26Å; I94-Y109 PolarHBondContact N-OH 3.48Å; I94-Y115 HydrophobicContact CD1-CD1 3.94Å; I94-Y115 HydrophobicContact CD1-CE1 3.69Å; I94-Y115 HydrophobicContact CG1-CD1 4.48Å; I94-Y115 HydrophobicContact CG2-CD1 3.58Å; I94-Y115 HydrophobicContact CG2-CE1 4.42Å; I94-Y115 HydrophobicContact CG2-CG 3.82Å
95C79.9Confident82.1Confident19 Ų1968.5 Ų68.513%0.12838%0.378CS..Hα-helixtrans-63.7-32.8176.7-71.60000113.8H93 S99 C107 Y109H93-C95 PolarHBondContact O-N 2.83Å; C95-S99 PolarHBondContact O-OG 3.24Å; C95-C107 WeakPolarHBondContact CA-SG 3.31Å; C95-C107 HydrophobicContact CB-CB 3.64Å; C95-C107 WeakPolarHBondContact CB-SG 3.47Å; C95-C107 WeakPolarHBondContact SG-CB 3.46Å; C95-C107 CovalentContact SG-SG 2.04Å; C95-C107 PolarHBondContact SG-SG 3.11Å; C95-Y109 HydrophobicContact CB-CE2 3.72Å; C95-Y109 PolarHBondContact N-OH 3.18Å; C95-Y109 VanDerWaalsContact N-OH 3.11Å; C95-Y109 WeakPolarHBondContact SG-CE2 3.32Å
96T76Confident82.9Confident109 Ų10973 Ų7367%0.66939%0.39SS*.Hα-helixtrans-92.9-30.1-177.860.60000113H93 I94H93-T96 WeakPolarHBondContact CB-OG1 3.25Å; H93-T96 PolarHBondContact O-N 2.9Å; H93-T96 PolarHBondContact O-OG1 2.02Å; I94-T96 VanDerWaalsContact C-N 3.3Å; I94-T96 PolarHBondContact O-N 2.77Å
97T73.4Confident83.2Confident73 Ų7367.5 Ų67.545%0.44837%0.37SS..Hα-helixtrans-95.9-34.4-174.151.20000113.8D91 H93D91-T97 WeakPolarHBondContact OD2-CG2 3.36Å; H93-T97 PolarHBondContact O-N 3.26Å; H93-T97 VanDerWaalsContact O-N 3.15Å; H93-T97 PolarHBondContact O-OG1 2.04Å
98Q79.3Confident83.1Confident130 Ų13067.6 Ų67.661%0.60737%0.373SS*.THydrogen-bonded Turntrans-113.3-20-177.8-61.11784200112.9I94I94-Q98 HydrophobicContact CG1-CB 4.01Å; I94-Q98 HydrophobicContact CG1-CG 4.3Å; I94-Q98 PolarHBondContact O-N 3.45Å
99S83.8Confident82.6Confident81 Ų8171.2 Ų71.257%0.56639%0.387SS*.  trans43.361.6-176.7-610000112I94 C95 C101I94-S99 PolarHBondContact O-N 3.04Å; I94-S99 VanDerWaalsContact O-N 3.17Å; C95-S99 PolarHBondContact O-OG 3.24Å; S99-C101 VanDerWaalsContact C-N 3.25Å; S99-C101 PolarHBondContact O-N 3.46Å
100P89Confident81.9Confident22 Ų2273.6 Ų73.614%0.14340%0.399CS..  trans-65-27.3-167.326.8-36.2000113.4I94 Q102 Y115I94-P100 HydrophobicContact CG1-CG 4.18Å; I94-P100 WeakPolarHBondContact O-CD 3.46Å; P100-Q102 PolarHBondContact O-N 3.07Å; P100-Y115 HydrophobicContact CB-CD2 4.41Å; P100-Y115 HydrophobicContact CB-CE2 3.69Å; P100-Y115 HydrophobicContact CG-CD2 3.56Å; P100-Y115 HydrophobicContact CG-CE1 4.48Å; P100-Y115 HydrophobicContact CG-CE2 3.35Å; P100-Y115 HydrophobicContact CG-CG 4.25Å
101C92.7Very high81Confident18 Ų1870.8 Ų70.812%0.12241%0.41CS..  trans-69115.7-178.6-50.40000111.6S99 G105 C107 C117S99-C101 VanDerWaalsContact C-N 3.25Å; S99-C101 PolarHBondContact O-N 3.46Å; C101-G105 WeakPolarHBondContact CB-O 3Å; C101-C107 WeakPolarHBondContact SG-CA 3.38Å; C101-C107 WeakPolarHBondContact SG-CB 3.42Å; C101-C117 WeakPolarHBondContact CA-SG 3.48Å; C101-C117 HydrophobicContact CB-CB 3.75Å; C101-C117 WeakPolarHBondContact CB-SG 3.2Å; C101-C117 VanDerWaalsContact SG-CA 3.51Å; C101-C117 WeakPolarHBondContact SG-CB 3.28Å; C101-C117 CovalentContact SG-SG 2.02Å; C101-C117 PolarHBondContact SG-SG 3.14Å
102Q91.7Very high80.3Confident100 Ų10071.5 Ų71.547%0.46743%0.431SS..  trans-83.3172177.4-56.1-175.527.200111.4P100 G104 G105 D127 C128P100-Q102 PolarHBondContact O-N 3.07Å; Q102-G104 PolarHBondContact O-N 3.37Å; Q102-G105 PolarHBondContact O-N 3.46Å; Q102-D127 WeakPolarHBondContact CB-O 3.5Å; Q102-D127 PolarHBondContact N-O 2.8Å; Q102-C128 WeakPolarHBondContact O-CB 3.39Å
103N90Very high80Confident77 Ų7769.9 Ų69.941%0.41244%0.436SS..THydrogen-bonded Turntrans53.330.9171.6-60.8-55.2000114.9G105 F123 C128N103-G105 VanDerWaalsContact C-N 3.32Å; N103-G105 PolarHBondContact O-N 2.78Å; N103-F123 HydrophobicContact CB-CD1 3.52Å; N103-F123 HydrophobicContact CB-CD2 4.2Å; N103-F123 HydrophobicContact CB-CE1 3.47Å; N103-F123 VanDerWaalsContact CB-CE1 3.47Å; N103-F123 HydrophobicContact CB-CE2 4.15Å; N103-F123 HydrophobicContact CB-CG 3.9Å; N103-F123 HydrophobicContact CB-CZ 3.79Å; N103-F123 WeakPolarHBondContact ND2-CD1 3.39Å; N103-F123 WeakPolarHBondContact ND2-CE1 3.4Å; N103-C128 PolarHBondContact ND2-O 2.85Å
104G87.8Confident80.1Confident61 Ų6171.1 Ų71.163%0.62944%0.442SS*.THydrogen-bonded Turntrans75.316.4179.200000114.6Q102Q102-G104 PolarHBondContact O-N 3.37Å
105G92.4Very high80.4Confident14 Ų1470.5 Ų70.514%0.14444%0.437CS..PPolyproline II helixtrans-63.2147.5171.700000112.4C101 Q102 N103 V118C101-G105 WeakPolarHBondContact CB-O 3Å; Q102-G105 PolarHBondContact O-N 3.46Å; N103-G105 VanDerWaalsContact C-N 3.32Å; N103-G105 PolarHBondContact O-N 2.78Å; G105-V118 CarbonylContact C-O 3.49Å; G105-V118 VanDerWaalsContact CA-O 3.27Å; G105-V118 WeakPolarHBondContact CA-O 2.99Å
106Q92.2Very high80.8Confident130 Ų13072.1 Ų72.161%0.60744%0.443SS*.EExtended strand (participates in β ladder)trans-93122.4180-169.5170.48.900110.5M108 V118Q106-M108 HydrophobicContact CG-CG 4.41Å; Q106-V118 HydrophobicContact CB-CB 4.35Å; Q106-V118 PolarHBondContact N-O 2.84Å; Q106-V118 PolarHBondContact O-N 2.94Å
107C89.8Confident81.6Confident34 Ų3467.7 Ų67.723%0.2342%0.416CS..EExtended strand (participates in β ladder)trans-83.9127.5179.1-161.60000110.9C95 C101C95-C107 WeakPolarHBondContact CA-SG 3.31Å; C95-C107 HydrophobicContact CB-CB 3.64Å; C95-C107 WeakPolarHBondContact CB-SG 3.47Å; C95-C107 WeakPolarHBondContact SG-CB 3.46Å; C95-C107 CovalentContact SG-SG 2.04Å; C95-C107 PolarHBondContact SG-SG 3.11Å; C101-C107 WeakPolarHBondContact SG-CA 3.38Å; C101-C107 WeakPolarHBondContact SG-CB 3.42Å
108M86.8Confident82.5Confident76 Ų7667.4 Ų67.437%0.37441%0.414SS..EExtended strand (participates in β ladder)trans-135.6158.9179.3-54.6-164.8-47.700111.1Q106 Y115 H116 V118Q106-M108 HydrophobicContact CG-CG 4.41Å; M108-Y115 WeakPolarHBondContact O-CA 3.46Å; M108-H116 WeakPolarHBondContact CE-NE2 3.35Å; M108-H116 PolarHBondContact N-O 3.27Å; M108-H116 PolarHBondContact O-N 3.21Å; M108-V118 HydrophobicContact CE-CG2 3.33Å; M108-V118 HydrophobicContact CG-CG2 4.45Å; M108-V118 HydrophobicContact SD-CG2 4.12Å
109Y78.9Confident83.1Confident76 Ų7663 Ų6330%0.29840%0.397SS..EExtended strand (participates in β ladder)trans-112.5135.8174.9-72.6-83000110.3E92 H93 I94 C95 G111 E114E92-Y109 PolarHBondContact O-OH 3.25Å; E92-Y109 VanDerWaalsContact O-OH 3.1Å; H93-Y109 WeakPolarHBondContact CA-OH 3.49Å; I94-Y109 HydrophobicContact CG2-CE1 4.12Å; I94-Y109 WeakPolarHBondContact CG2-OH 3.26Å; I94-Y109 PolarHBondContact N-OH 3.48Å; C95-Y109 HydrophobicContact CB-CE2 3.72Å; C95-Y109 PolarHBondContact N-OH 3.18Å; C95-Y109 VanDerWaalsContact N-OH 3.11Å; C95-Y109 WeakPolarHBondContact SG-CE2 3.32Å; Y109-G111 PolarHBondContact O-N 2.91Å; Y109-E114 WeakPolarHBondContact CD1-O 3.34Å
110D72.4Confident83.3Confident119 Ų11963.5 Ų63.564%0.63639%0.393SS*.  trans-84.211.7176.9-64.6-51000113.6G112 H116D110-G112 PolarHBondContact O-N 3.4Å; D110-H116 VanDerWaalsContact CG-CE1 3.44Å; D110-H116 IonicContact OD1-CE1 3.38Å; D110-H116 PolarHBondContact OD1-CE1 3.32Å; D110-H116 IonicContact OD1-ND1 2.7Å; D110-H116 PolarHBondContact OD1-ND1 3.23Å; D110-H116 VanDerWaalsContact OD1-ND1 3.09Å; D110-H116 IonicContact OD1-NE2 2.69Å; D110-H116 IonicContact OD2-CE1 3.33Å; D110-H116 PolarHBondContact OD2-CE1 3.33Å; D110-H116 IonicContact OD2-CG 3.32Å; D110-H116 IonicContact OD2-ND1 2.86Å; D110-H116 PolarHBondContact OD2-ND1 2.76Å
111G55.9Low83.1Confident78 Ų7868.4 Ų68.480%0.80443%0.425SS*.SBendtrans79.4-3.2-178.100000115.2Y109Y109-G111 PolarHBondContact O-N 2.91Å
112G59.1Low82.4Confident74 Ų7468.7 Ų68.776%0.76343%0.431SS*.SBendtrans-996.9175.600000115.6D110 E114D110-G112 PolarHBondContact O-N 3.4Å; G112-E114 VanDerWaalsContact C-N 3.31Å; G112-E114 PolarHBondContact O-N 2.93Å
113G62.5Low81.9Confident47 Ų4766.7 Ų66.749%0.48542%0.421SS..SBendtrans83.4-4.4-177.600000115.3
114E72.7Confident81.5Confident118 Ų11864.6 Ų64.655%0.55141%0.409SS*.  trans-92.9141.6169.3-172.4161.6-157.700110.9Y109 G112 R126Y109-E114 WeakPolarHBondContact CD1-O 3.34Å; G112-E114 VanDerWaalsContact C-N 3.31Å; G112-E114 PolarHBondContact O-N 2.93Å; E114-R126 IonicContact OE1-NH2 3.25Å; E114-R126 PolarHBondContact OE1-NH2 3.07Å; E114-R126 VanDerWaalsContact OE1-NH2 3.11Å
115Y82.8Confident81.3Confident24 Ų2462.9 Ų62.99%0.09439%0.39CS..EExtended strand (participates in β ladder)trans-93.8149.1174.980.1-81.6000110.3I94 P100 M108 D127I94-Y115 HydrophobicContact CD1-CD1 3.94Å; I94-Y115 HydrophobicContact CD1-CE1 3.69Å; I94-Y115 HydrophobicContact CG1-CD1 4.48Å; I94-Y115 HydrophobicContact CG2-CD1 3.58Å; I94-Y115 HydrophobicContact CG2-CE1 4.42Å; I94-Y115 HydrophobicContact CG2-CG 3.82Å; P100-Y115 HydrophobicContact CB-CD2 4.41Å; P100-Y115 HydrophobicContact CB-CE2 3.69Å; P100-Y115 HydrophobicContact CG-CD2 3.56Å; P100-Y115 HydrophobicContact CG-CE1 4.48Å; P100-Y115 HydrophobicContact CG-CE2 3.35Å; P100-Y115 HydrophobicContact CG-CG 4.25Å; M108-Y115 WeakPolarHBondContact O-CA 3.46Å; Y115-D127 WeakPolarHBondContact CE2-OD1 3.48Å; Y115-D127 VanDerWaalsContact CZ-OD1 3.31Å; Y115-D127 PolarHBondContact OH-OD1 3.39Å
116H88.3Confident81Confident53 Ų5368.8 Ų68.825%0.24541%0.409CS..EExtended strand (participates in β ladder)trans-133.6154.5165.570.2-90.8000110.2M108 D110M108-H116 WeakPolarHBondContact CE-NE2 3.35Å; M108-H116 PolarHBondContact N-O 3.27Å; M108-H116 PolarHBondContact O-N 3.21Å; D110-H116 VanDerWaalsContact CG-CE1 3.44Å; D110-H116 IonicContact OD1-CE1 3.38Å; D110-H116 PolarHBondContact OD1-CE1 3.32Å; D110-H116 IonicContact OD1-ND1 2.7Å; D110-H116 PolarHBondContact OD1-ND1 3.23Å; D110-H116 VanDerWaalsContact OD1-ND1 3.09Å; D110-H116 IonicContact OD1-NE2 2.69Å; D110-H116 IonicContact OD2-CE1 3.33Å; D110-H116 PolarHBondContact OD2-CE1 3.33Å; D110-H116 IonicContact OD2-CG 3.32Å; D110-H116 IonicContact OD2-ND1 2.86Å; D110-H116 PolarHBondContact OD2-ND1 2.76Å
117C92.4Very high81Confident17 Ų1764.4 Ų64.412%0.11539%0.389CS..EExtended strand (participates in β ladder)trans-105.1126.2178-62.80000111.1C101 C119 R126 C128C101-C117 WeakPolarHBondContact CA-SG 3.48Å; C101-C117 HydrophobicContact CB-CB 3.75Å; C101-C117 WeakPolarHBondContact CB-SG 3.2Å; C101-C117 VanDerWaalsContact SG-CA 3.51Å; C101-C117 WeakPolarHBondContact SG-CB 3.28Å; C101-C117 CovalentContact SG-SG 2.02Å; C101-C117 PolarHBondContact SG-SG 3.14Å; C117-C119 PolarHBondContact O-N 2.79Å; C117-R126 WeakPolarHBondContact CB-O 3.26Å; C117-R126 PolarHBondContact SG-O 2.92Å; C117-C128 WeakPolarHBondContact CB-SG 3.39Å
118V91.9Very high81Confident67 Ų6762.8 Ų62.841%0.40638%0.378SS..EExtended strand (participates in β ladder)trans-85.4107.3166.9-1770000108G105 Q106 M108G105-V118 CarbonylContact C-O 3.49Å; G105-V118 VanDerWaalsContact CA-O 3.27Å; G105-V118 WeakPolarHBondContact CA-O 2.99Å; Q106-V118 HydrophobicContact CB-CB 4.35Å; Q106-V118 PolarHBondContact N-O 2.84Å; Q106-V118 PolarHBondContact O-N 2.94Å; M108-V118 HydrophobicContact CE-CG2 3.33Å; M108-V118 HydrophobicContact CG-CG2 4.45Å; M108-V118 HydrophobicContact SD-CG2 4.12Å
119C91.1Very high81.1Confident37 Ų3762.6 Ų62.625%0.2538%0.377CS..PPolyproline II helixtrans-79.8142.1-176.6-54.50000112.3C117 F123 C128C117-C119 PolarHBondContact O-N 2.79Å; C119-F123 HydrophobicContact CB-CB 4.19Å; C119-F123 VanDerWaalsContact CB-O 3.26Å; C119-F123 WeakPolarHBondContact CB-O 3.36Å; C119-C128 WeakPolarHBondContact CA-SG 3.43Å; C119-C128 HydrophobicContact CB-CB 3.83Å; C119-C128 WeakPolarHBondContact CB-SG 3.04Å; C119-C128 WeakPolarHBondContact SG-CA 3.47Å; C119-C128 WeakPolarHBondContact SG-CB 3.44Å; C119-C128 CovalentContact SG-SG 2.04Å; C119-C128 PolarHBondContact SG-SG 3.47Å
120L89.4Confident81.2Confident91 Ų9164.5 Ų64.548%0.47638%0.383SS..PPolyproline II helixtrans-64.3155.5169.6-74.6172.8000110.8G122 F123L120-G122 PolarHBondContact O-N 3.08Å; L120-F123 HydrophobicContact CB-CD2 4.44Å; L120-F123 PolarHBondContact O-N 3.25Å
121P84.6Confident81.4Confident125 Ų12564.1 Ų64.181%0.81238%0.376SS*.THydrogen-bonded Turntrans-52.4129.2176.2-26.234.6000111.7
122G77.1Confident82.3Confident24 Ų2460.9 Ų60.925%0.24734%0.341CS..THydrogen-bonded Turntrans89.79.3-177.100000114.6L120 K131 A132L120-G122 PolarHBondContact O-N 3.08Å; G122-K131 CarbonylContact O-C 3.59Å; G122-K131 WeakPolarHBondContact O-CA 3.47Å; G122-K131 WeakPolarHBondContact O-CG 3.34Å; G122-A132 WeakPolarHBondContact O-CB 3.47Å; G122-A132 PolarHBondContact O-N 3.04Å
123F82.7Confident82.9Confident58 Ų5857.4 Ų57.425%0.25431%0.306SS..EExtended strand (participates in β ladder)trans-130.8149.3170.3-65.4-88.3000111.2N103 C119 L120 C128 R130 K131N103-F123 HydrophobicContact CB-CD1 3.52Å; N103-F123 HydrophobicContact CB-CD2 4.2Å; N103-F123 HydrophobicContact CB-CE1 3.47Å; N103-F123 VanDerWaalsContact CB-CE1 3.47Å; N103-F123 HydrophobicContact CB-CE2 4.15Å; N103-F123 HydrophobicContact CB-CG 3.9Å; N103-F123 HydrophobicContact CB-CZ 3.79Å; N103-F123 WeakPolarHBondContact ND2-CD1 3.39Å; N103-F123 WeakPolarHBondContact ND2-CE1 3.4Å; C119-F123 HydrophobicContact CB-CB 4.19Å; C119-F123 VanDerWaalsContact CB-O 3.26Å; C119-F123 WeakPolarHBondContact CB-O 3.36Å; L120-F123 HydrophobicContact CB-CD2 4.44Å; L120-F123 PolarHBondContact O-N 3.25Å; F123-C128 HydrophobicContact CB-CB 4.47Å; F123-R130 CarbonylContact C-O 3.52Å; F123-R130 WeakPolarHBondContact CA-O 3Å; F123-K131 HydrophobicContact CD1-CB 4.15Å; F123-K131 HydrophobicContact CD1-CG 4.42Å; F123-K131 HydrophobicContact CE1-CB 3.97Å; F123-K131 HydrophobicContact CE1-CD 4.49Å; F123-K131 HydrophobicContact CE1-CG 4.04Å; F123-K131 HydrophobicContact CZ-CG 4.39Å
124H81.3Confident83.5Confident34 Ų3456.8 Ų56.816%0.15729%0.293CS..EExtended strand (participates in β ladder)trans-150.5179.117868.6-109.1000110C128 R130 E136H124-C128 CarbonylContact O-C 3.53Å; H124-C128 WeakPolarHBondContact O-CA 3.31Å; H124-R130 PolarHBondContact CD2-NH1 3.43Å; H124-R130 VanDerWaalsContact CD2-NH1 3.33Å; H124-R130 PolarHBondContact N-O 3.11Å; H124-R130 WeakPolarHBondContact NE2-CB 3.35Å; H124-R130 PolarHBondContact NE2-NH1 3.21Å; H124-R130 WeakPolarHBondContact O-CB 3.15Å; H124-R130 PolarHBondContact O-N 3.29Å; H124-R130 VanDerWaalsContact O-O 3.13Å; H124-E136 IonicContact CE1-OE2 3.85Å; H124-E136 PolarHBondContact CE1-OE2 3.23Å; H124-E136 VanDerWaalsContact CE1-OE2 3.25Å; H124-E136 IonicContact CG-OE2 3.27Å; H124-E136 IonicContact ND1-OE2 3.5Å; H124-E136 PolarHBondContact ND1-OE2 3.18Å
125G82.6Confident83.8Confident24 Ų2452.3 Ų52.325%0.24727%0.274CS..SBendtrans109.4176.1-173.500000111.6D127 E129G125-D127 VanDerWaalsContact C-N 3.32Å; G125-E129 WeakPolarHBondContact CA-OE1 3.4Å
126R87.6Confident83.4Confident139 Ų13956.7 Ų56.753%0.52530%0.296SS..SBendtrans-69.7-38.9-179.5-174.6-174.1-172.2-154.17110.6E114 C117 E129E114-R126 IonicContact OE1-NH2 3.25Å; E114-R126 PolarHBondContact OE1-NH2 3.07Å; E114-R126 VanDerWaalsContact OE1-NH2 3.11Å; C117-R126 WeakPolarHBondContact CB-O 3.26Å; C117-R126 PolarHBondContact SG-O 2.92Å; R126-E129 PolarHBondContact N-OE2 2.78Å
127D90.8Very high82.5Confident38 Ų3859.1 Ų59.120%0.20331%0.307CS..SBendtrans-113.318.4-174.4-59.7-39000110.9Q102 Y115 G125 E129Q102-D127 WeakPolarHBondContact CB-O 3.5Å; Q102-D127 PolarHBondContact N-O 2.8Å; Y115-D127 WeakPolarHBondContact CE2-OD1 3.48Å; Y115-D127 VanDerWaalsContact CZ-OD1 3.31Å; Y115-D127 PolarHBondContact OH-OD1 3.39Å; G125-D127 VanDerWaalsContact C-N 3.32Å; D127-E129 WeakPolarHBondContact CA-OE2 3Å; D127-E129 PolarHBondContact N-OE2 3.33Å; D127-E129 PolarHBondContact O-N 3.19Å; D127-E129 VanDerWaalsContact O-N 3.15Å
128C91.1Very high81Confident0 Ų064.1 Ų64.10%035%0.35CS..SBendtrans55.227.5-173.9-51.10000113.9Q102 N103 C117 C119 F123 H124 R130Q102-C128 WeakPolarHBondContact O-CB 3.39Å; N103-C128 PolarHBondContact ND2-O 2.85Å; C117-C128 WeakPolarHBondContact CB-SG 3.39Å; C119-C128 WeakPolarHBondContact CA-SG 3.43Å; C119-C128 HydrophobicContact CB-CB 3.83Å; C119-C128 WeakPolarHBondContact CB-SG 3.04Å; C119-C128 WeakPolarHBondContact SG-CA 3.47Å; C119-C128 WeakPolarHBondContact SG-CB 3.44Å; C119-C128 CovalentContact SG-SG 2.04Å; C119-C128 PolarHBondContact SG-SG 3.47Å; F123-C128 HydrophobicContact CB-CB 4.47Å; H124-C128 CarbonylContact O-C 3.53Å; H124-C128 WeakPolarHBondContact O-CA 3.31Å; C128-R130 VanDerWaalsContact C-N 3.31Å; C128-R130 PolarHBondContact O-N 3.13Å
129E87.3Confident80Confident72 Ų7263.3 Ų63.334%0.33636%0.355SS..  trans-75.5-21.2-175.173.9-67.7165.600112.9G125 R126 D127G125-E129 WeakPolarHBondContact CA-OE1 3.4Å; R126-E129 PolarHBondContact N-OE2 2.78Å; D127-E129 WeakPolarHBondContact CA-OE2 3Å; D127-E129 PolarHBondContact N-OE2 3.33Å; D127-E129 PolarHBondContact O-N 3.19Å; D127-E129 VanDerWaalsContact O-N 3.15Å
130R81.7Confident79.6Confident116 Ų11664.4 Ų64.444%0.43836%0.363SS..EExtended strand (participates in β ladder)trans-100.6132-177.3-62.9-177.3-84153-9.8110.6F123 H124 C128F123-R130 CarbonylContact C-O 3.52Å; F123-R130 WeakPolarHBondContact CA-O 3Å; H124-R130 PolarHBondContact CD2-NH1 3.43Å; H124-R130 VanDerWaalsContact CD2-NH1 3.33Å; H124-R130 PolarHBondContact N-O 3.11Å; H124-R130 WeakPolarHBondContact NE2-CB 3.35Å; H124-R130 PolarHBondContact NE2-NH1 3.21Å; H124-R130 WeakPolarHBondContact O-CB 3.15Å; H124-R130 PolarHBondContact O-N 3.29Å; H124-R130 VanDerWaalsContact O-O 3.13Å; C128-R130 VanDerWaalsContact C-N 3.31Å; C128-R130 PolarHBondContact O-N 3.13Å
131K76.4Confident79.6Confident111 Ų11160.9 Ų60.948%0.48335%0.346SS..EExtended strand (participates in β ladder)trans-82.3127.6170.6-170.2173.9177.5-177.50108.3G122 F123 G133 A155G122-K131 CarbonylContact O-C 3.59Å; G122-K131 WeakPolarHBondContact O-CA 3.47Å; G122-K131 WeakPolarHBondContact O-CG 3.34Å; F123-K131 HydrophobicContact CD1-CB 4.15Å; F123-K131 HydrophobicContact CD1-CG 4.42Å; F123-K131 HydrophobicContact CE1-CB 3.97Å; F123-K131 HydrophobicContact CE1-CD 4.49Å; F123-K131 HydrophobicContact CE1-CG 4.04Å; F123-K131 HydrophobicContact CZ-CG 4.39Å; K131-G133 PolarHBondContact O-N 2.75Å; K131-A155 HydrophobicContact CB-CB 3.79Å; K131-A155 HydrophobicContact CD-CB 3.8Å; K131-A155 HydrophobicContact CG-CB 3.6Å
132A74.2Confident80Confident10 Ų1055.5 Ų55.58%0.08331%0.311CS..PPolyproline II helixtrans-61.2121.7176.500000109.4G122 E136 Q137 A155G122-A132 WeakPolarHBondContact O-CB 3.47Å; G122-A132 PolarHBondContact O-N 3.04Å; A132-E136 HydrophobicContact CB-CB 4.44Å; A132-Q137 PolarHBondContact O-NE2 2.9Å; A132-Q137 VanDerWaalsContact O-NE2 3.13Å; A132-A155 WeakPolarHBondContact O-CB 3.22Å
133G73Confident80.7Confident1 Ų161.4 Ų61.41%0.0133%0.326CS..  trans-82.7-178.9-179.300000113.4K131 C135 E136 Q137 D150K131-G133 PolarHBondContact O-N 2.75Å; G133-C135 PolarHBondContact O-N 2.82Å; G133-C135 VanDerWaalsContact O-N 3.14Å; G133-E136 PolarHBondContact O-N 3.07Å; G133-Q137 PolarHBondContact O-N 2.02Å; G133-D150 WeakPolarHBondContact CA-OD1 3.5Å
134P75.2Confident81.3Confident33 Ų3362.3 Ų62.321%0.21433%0.333CS..THydrogen-bonded Turntrans-57.5-26.6-179.9-24.135.4000113.3P141 D150 F158P134-P141 HydrophobicContact CB-CG 4.24Å; P134-P141 WeakPolarHBondContact O-CD 3.46Å; P134-D150 VanDerWaalsContact CD-OD1 3.31Å; P134-D150 WeakPolarHBondContact CD-OD1 3.05Å; P134-F158 HydrophobicContact CB-CB 4.45Å; P134-F158 HydrophobicContact CB-CD1 3.91Å; P134-F158 HydrophobicContact CB-CG 4.37Å; P134-F158 HydrophobicContact CG-CB 4.48Å; P134-F158 HydrophobicContact CG-CD1 3.99Å
135C79.3Confident81.7Confident24 Ų2463.6 Ų63.616%0.16236%0.355CS..THydrogen-bonded Turntrans-70.2-30.1-179.8-61.10000113.9G133 C148 Q149 D150G133-C135 PolarHBondContact O-N 2.82Å; G133-C135 VanDerWaalsContact O-N 3.14Å; C135-C148 WeakPolarHBondContact CA-SG 3.07Å; C135-C148 HydrophobicContact CB-CB 3.64Å; C135-C148 WeakPolarHBondContact CB-SG 3.45Å; C135-C148 WeakPolarHBondContact SG-CB 3.47Å; C135-C148 CovalentContact SG-SG 2.02Å; C135-C148 PolarHBondContact SG-SG 2.84Å; C135-Q149 PolarHBondContact SG-N 3.38Å; C135-Q149 VanDerWaalsContact SG-N 3.38Å; C135-D150 WeakPolarHBondContact CB-OD1 3.46Å; C135-D150 PolarHBondContact N-OD1 3.14Å; C135-D150 PolarHBondContact SG-N 3.19Å; C135-D150 PolarHBondContact SG-OD1 2.02Å
136E73.6Confident82.2Confident116 Ų11662.8 Ų62.854%0.54235%0.347SS..THydrogen-bonded Turntrans-100.1-13.1-175.1-63.5-167.5161.600113.3H124 A132 G133 A138H124-E136 IonicContact CE1-OE2 3.85Å; H124-E136 PolarHBondContact CE1-OE2 3.23Å; H124-E136 VanDerWaalsContact CE1-OE2 3.25Å; H124-E136 IonicContact CG-OE2 3.27Å; H124-E136 IonicContact ND1-OE2 3.5Å; H124-E136 PolarHBondContact ND1-OE2 3.18Å; A132-E136 HydrophobicContact CB-CB 4.44Å; G133-E136 PolarHBondContact O-N 3.07Å; E136-A138 PolarHBondContact O-N 2.82Å
137Q69.9Low82.4Confident104 Ų10462.4 Ų62.449%0.48635%0.352SS..SBendtrans-85.6107178.1-79.5174.51100112A132 G133 G139A132-Q137 PolarHBondContact O-NE2 2.9Å; A132-Q137 VanDerWaalsContact O-NE2 3.13Å; G133-Q137 PolarHBondContact O-N 2.02Å; Q137-G139 PolarHBondContact O-N 2.04Å
138A59.8Low82.3Confident122 Ų12261.9 Ų61.9100%1.00835%0.351SS*.SBendtrans52.94.4163.300000118.7E136E136-A138 PolarHBondContact O-N 2.82Å
139G70.9Confident82Confident51 Ų5166.4 Ų66.453%0.52637%0.372SS..SBendtrans152.2129.6173.800000111.5Q137Q137-G139 PolarHBondContact O-N 2.04Å
140S84.1Confident81.6Confident60 Ų6064.4 Ų64.442%0.4236%0.363SS..  trans-51.8130.4177.6171.40000111.1C142 C148S140-C142 PolarHBondContact O-N 3.45Å; S140-C142 PolarHBondContact OG-N 2.88Å; S140-C148 WeakPolarHBondContact OG-CB 3.42Å
141P88.3Confident81Confident16 Ų1661.8 Ų61.810%0.10436%0.358CS..SBendtrans-67.7-15.3174.928.4-36.3000112.4P134 C148 F158 R170P134-P141 HydrophobicContact CB-CG 4.24Å; P134-P141 WeakPolarHBondContact O-CD 3.46Å; P141-C148 WeakPolarHBondContact CD-SG 3.28Å; P141-C148 WeakPolarHBondContact CG-SG 3.4Å; P141-F158 HydrophobicContact CB-CD2 4.23Å; P141-F158 HydrophobicContact CB-CE1 4.16Å; P141-F158 HydrophobicContact CB-CE2 3.73Å; P141-F158 HydrophobicContact CB-CZ 3.69Å; P141-F158 HydrophobicContact CG-CD1 4.15Å; P141-F158 HydrophobicContact CG-CD2 3.54Å; P141-F158 HydrophobicContact CG-CE1 4.17Å; P141-F158 HydrophobicContact CG-CE2 3.58Å; P141-F158 HydrophobicContact CG-CG 3.85Å; P141-F158 HydrophobicContact CG-CZ 3.9Å; P141-R170 VanDerWaalsContact O-CZ 3.24Å; P141-R170 PolarHBondContact O-NE 3.07Å; P141-R170 PolarHBondContact O-NH2 3.45Å
142C92.3Very high80.4Confident12 Ų1265.8 Ų65.88%0.08138%0.379CS..  trans-77.3130.8178.2-50.10000111.3S140 G146 C148 C160S140-C142 PolarHBondContact O-N 3.45Å; S140-C142 PolarHBondContact OG-N 2.88Å; C142-G146 VanDerWaalsContact CB-O 3.28Å; C142-G146 WeakPolarHBondContact CB-O 3.34Å; C142-C148 WeakPolarHBondContact SG-CA 3.44Å; C142-C148 WeakPolarHBondContact SG-CB 3.41Å; C142-C160 WeakPolarHBondContact CA-SG 3.34Å; C142-C160 HydrophobicContact CB-CB 3.84Å; C142-C160 WeakPolarHBondContact CB-SG 3.32Å; C142-C160 WeakPolarHBondContact SG-CA 3.21Å; C142-C160 WeakPolarHBondContact SG-CB 3.38Å; C142-C160 CovalentContact SG-SG 2.02Å; C142-C160 PolarHBondContact SG-SG 2.78Å
143R93.6Very high79.4Confident148 Ų14866.7 Ų66.756%0.55839%0.388SS*.SBendtrans-85.8170.1176.2-61-65.9-171.6173.60.2110.8G145 G146 R170 E172R143-G145 PolarHBondContact O-N 2.83Å; R143-G146 PolarHBondContact O-N 3.42Å; R143-R170 WeakPolarHBondContact CB-O 3.44Å; R143-R170 PolarHBondContact N-O 3.25Å; R143-E172 HydrophobicContact CG-CB 4.33Å
144N93.8Very high78.6Confident78 Ų7875 Ų7542%0.41742%0.424SS..THydrogen-bonded Turntrans51.935.1171.4-59.5-46.3000114.7G146 F166 C171N144-G146 VanDerWaalsContact C-N 3.27Å; N144-G146 PolarHBondContact O-N 3.13Å; N144-F166 HydrophobicContact CB-CD1 3.8Å; N144-F166 HydrophobicContact CB-CD2 3.88Å; N144-F166 HydrophobicContact CB-CE1 3.68Å; N144-F166 HydrophobicContact CB-CE2 3.74Å; N144-F166 HydrophobicContact CB-CG 3.9Å; N144-F166 HydrophobicContact CB-CZ 3.64Å; N144-F166 WeakPolarHBondContact ND2-CD1 3.29Å; N144-F166 VanDerWaalsContact ND2-CE1 3.34Å; N144-F166 WeakPolarHBondContact ND2-CE1 3.37Å; N144-C171 PolarHBondContact ND2-O 2.74Å
145G90.1Very high77.8Confident60 Ų6074 Ų7462%0.61942%0.42SS*.THydrogen-bonded Turntrans72.915.2-179.900000114.7R143R143-G145 PolarHBondContact O-N 2.83Å
146G93Very high77.1Confident8 Ų879.9 Ų79.98%0.08245%0.448CS..PPolyproline II helixtrans-59.4141.1174.500000112.2C142 R143 N144 R161C142-G146 VanDerWaalsContact CB-O 3.28Å; C142-G146 WeakPolarHBondContact CB-O 3.34Å; R143-G146 PolarHBondContact O-N 3.42Å; N144-G146 VanDerWaalsContact C-N 3.27Å; N144-G146 PolarHBondContact O-N 3.13Å; G146-R161 CarbonylContact C-O 3.56Å; G146-R161 WeakPolarHBondContact CA-O 3.41Å
147Q91.5Very high77.2Confident131 Ų13179.4 Ų79.461%0.61245%0.45SS*.EExtended strand (participates in β ladder)trans-82.3120.8178.4-174.5176.936.600109.6R161Q147-R161 HydrophobicContact CB-CB 4.31Å; Q147-R161 PolarHBondContact N-O 3.46Å; Q147-R161 PolarHBondContact O-N 3.22Å
148C88.8Confident77.8Confident27 Ų2777.6 Ų77.618%0.18244%0.44CS..EExtended strand (participates in β ladder)trans-85.3136177.4-1630000110.9C135 S140 P141 C142C135-C148 WeakPolarHBondContact CA-SG 3.07Å; C135-C148 HydrophobicContact CB-CB 3.64Å; C135-C148 WeakPolarHBondContact CB-SG 3.45Å; C135-C148 WeakPolarHBondContact SG-CB 3.47Å; C135-C148 CovalentContact SG-SG 2.02Å; C135-C148 PolarHBondContact SG-SG 2.84Å; S140-C148 WeakPolarHBondContact OG-CB 3.42Å; P141-C148 WeakPolarHBondContact CD-SG 3.28Å; P141-C148 WeakPolarHBondContact CG-SG 3.4Å; C142-C148 WeakPolarHBondContact SG-CA 3.44Å; C142-C148 WeakPolarHBondContact SG-CB 3.41Å
149Q86Confident79.2Confident94 Ų9474.8 Ų74.844%0.43941%0.411SS..EExtended strand (participates in β ladder)trans-131120.9173.4-177.7160.647.300109C135 F158 T159C135-Q149 PolarHBondContact SG-N 3.38Å; C135-Q149 VanDerWaalsContact SG-N 3.38Å; Q149-F158 CarbonylContact O-C 3.36Å; Q149-F158 WeakPolarHBondContact O-CA 3.26Å; Q149-T159 PolarHBondContact N-O 2.98Å; Q149-T159 PolarHBondContact O-N 3.13Å
150D78.1Confident80.2Confident30 Ų3073 Ų7316%0.1639%0.39CS..EExtended strand (participates in β ladder)trans-69.3135.2172-66.3-44.6000109G133 P134 C135 Q152G133-D150 WeakPolarHBondContact CA-OD1 3.5Å; P134-D150 VanDerWaalsContact CD-OD1 3.31Å; P134-D150 WeakPolarHBondContact CD-OD1 3.05Å; C135-D150 WeakPolarHBondContact CB-OD1 3.46Å; C135-D150 PolarHBondContact N-OD1 3.14Å; C135-D150 PolarHBondContact SG-N 3.19Å; C135-D150 PolarHBondContact SG-OD1 2.02Å; D150-Q152 PolarHBondContact O-N 3.26Å; D150-Q152 VanDerWaalsContact O-N 3.14Å
151D70.2Confident80.7Confident61 Ų6177 Ų7733%0.32640%0.396SS..SBendtrans-73.2110.3-179.7-71.2-25.9000109.7G153 F154 N157 T159D151-G153 PolarHBondContact O-N 3.29Å; D151-F154 PolarHBondContact O-N 3.05Å; D151-F154 VanDerWaalsContact O-N 3.13Å; D151-N157 HydrophobicContact CB-CB 4.09Å; D151-N157 PolarHBondContact N-O 3.38Å; D151-N157 VanDerWaalsContact N-O 3.07Å; D151-N157 VanDerWaalsContact OD2-CB 3.26Å; D151-N157 WeakPolarHBondContact OD2-CB 3.27Å; D151-T159 PolarHBondContact OD1-OG1 3.14Å
152Q63Low81.1Confident196 Ų19678.4 Ų78.492%0.91641%0.406SS*.THydrogen-bonded Turntrans53.823.1174.9-54.8-176.815.300115.2D150 F154D150-Q152 PolarHBondContact O-N 3.26Å; D150-Q152 VanDerWaalsContact O-N 3.14Å; Q152-F154 VanDerWaalsContact C-N 3.27Å; Q152-F154 PolarHBondContact O-N 3.13Å
153G53.2Low81.2Confident28 Ų2882.6 Ų82.629%0.28943%0.427SS..THydrogen-bonded Turntrans72.613.8179.600000115D151D151-G153 PolarHBondContact O-N 3.29Å
154F55.5Low81.3Confident175 Ų17580.7 Ų80.777%0.76843%0.432SS*.  trans-103.7115.2172.5-106.8-93.7000111.3D151 Q152 L156D151-F154 PolarHBondContact O-N 3.05Å; D151-F154 VanDerWaalsContact O-N 3.13Å; Q152-F154 VanDerWaalsContact C-N 3.27Å; Q152-F154 PolarHBondContact O-N 3.13Å; F154-L156 PolarHBondContact O-N 2.83Å
155A58.7Low81.4Confident14 Ų1477.5 Ų77.512%0.11642%0.417CS..THydrogen-bonded Turntrans-65.620.2-159.900000119.1K131 A132K131-A155 HydrophobicContact CB-CB 3.79Å; K131-A155 HydrophobicContact CD-CB 3.8Å; K131-A155 HydrophobicContact CG-CB 3.6Å; A132-A155 WeakPolarHBondContact O-CB 3.22Å
156L64.4Low81.7Confident146 Ų14675.8 Ų75.876%0.76439%0.393SS*.THydrogen-bonded Turntrans-112.9-27.9-179.9-65.6176.3000113.6F154F154-L156 PolarHBondContact O-N 2.83Å
157N75.4Confident81.8Confident106 Ų10679 Ų7957%0.56741%0.41SS*.  trans-115.8143-179.6-67.8-16.7000110.8D151D151-N157 HydrophobicContact CB-CB 4.09Å; D151-N157 PolarHBondContact N-O 3.38Å; D151-N157 VanDerWaalsContact N-O 3.07Å; D151-N157 VanDerWaalsContact OD2-CB 3.26Å; D151-N157 WeakPolarHBondContact OD2-CB 3.27Å
158F83.5Confident82Confident66 Ų6674.5 Ų74.529%0.28940%0.4SS..EExtended strand (participates in β ladder)trans-137.7150.1176.969.1-85.6000109.2P134 P141 Q149 C160 R170P134-F158 HydrophobicContact CB-CB 4.45Å; P134-F158 HydrophobicContact CB-CD1 3.91Å; P134-F158 HydrophobicContact CB-CG 4.37Å; P134-F158 HydrophobicContact CG-CB 4.48Å; P134-F158 HydrophobicContact CG-CD1 3.99Å; P141-F158 HydrophobicContact CB-CD2 4.23Å; P141-F158 HydrophobicContact CB-CE1 4.16Å; P141-F158 HydrophobicContact CB-CE2 3.73Å; P141-F158 HydrophobicContact CB-CZ 3.69Å; P141-F158 HydrophobicContact CG-CD1 4.15Å; P141-F158 HydrophobicContact CG-CD2 3.54Å; P141-F158 HydrophobicContact CG-CE1 4.17Å; P141-F158 HydrophobicContact CG-CE2 3.58Å; P141-F158 HydrophobicContact CG-CG 3.85Å; P141-F158 HydrophobicContact CG-CZ 3.9Å; Q149-F158 CarbonylContact O-C 3.36Å; Q149-F158 WeakPolarHBondContact O-CA 3.26Å; F158-C160 VanDerWaalsContact CE2-SG 3.57Å; F158-R170 HydrophobicContact CE2-CG 4.23Å; F158-R170 HydrophobicContact CZ-CG 4.2Å
159T88.3Confident82.1Confident63 Ų6377.1 Ų77.139%0.38742%0.423SS..EExtended strand (participates in β ladder)trans-116.4131.9172.1-610000109.2Q149 D151Q149-T159 PolarHBondContact N-O 2.98Å; Q149-T159 PolarHBondContact O-N 3.13Å; D151-T159 PolarHBondContact OD1-OG1 3.14Å
160C92.4Very high82.4Confident15 Ų1577.3 Ų77.310%0.10142%0.42CS..EExtended strand (participates in β ladder)trans-97.1125.1172-67.90000110.9C142 F158 A169C142-C160 WeakPolarHBondContact CA-SG 3.34Å; C142-C160 HydrophobicContact CB-CB 3.84Å; C142-C160 WeakPolarHBondContact CB-SG 3.32Å; C142-C160 WeakPolarHBondContact SG-CA 3.21Å; C142-C160 WeakPolarHBondContact SG-CB 3.38Å; C142-C160 CovalentContact SG-SG 2.02Å; C142-C160 PolarHBondContact SG-SG 2.78Å; F158-C160 VanDerWaalsContact CE2-SG 3.57Å; C160-A169 WeakPolarHBondContact CB-O 3.49Å
161R94.3Very high83.3Confident142 Ų14276 Ų7654%0.53641%0.412SS..EExtended strand (participates in β ladder)trans-91.5112.9166.6-65.5-176.5-176.6-174.70.8109G146 Q147G146-R161 CarbonylContact C-O 3.56Å; G146-R161 WeakPolarHBondContact CA-O 3.41Å; Q147-R161 HydrophobicContact CB-CB 4.31Å; Q147-R161 PolarHBondContact N-O 3.46Å; Q147-R161 PolarHBondContact O-N 3.22Å
162C96.5Very high84.5Confident47 Ų4777.7 Ų77.732%0.31842%0.419SS..PPolyproline II helixtrans-80.3143.9-175.5-53.90000112.3F166 C171C162-F166 HydrophobicContact CB-CB 4.28Å; C162-F166 WeakPolarHBondContact CB-O 3.39Å; C162-C171 WeakPolarHBondContact CA-SG 3.45Å; C162-C171 HydrophobicContact CB-CB 3.67Å; C162-C171 WeakPolarHBondContact CB-SG 3.03Å; C162-C171 PolarHBondContact N-SG 2.9Å; C162-C171 VanDerWaalsContact N-SG 3.45Å; C162-C171 WeakPolarHBondContact SG-CA 3.37Å; C162-C171 WeakPolarHBondContact SG-CB 3.37Å; C162-C171 CovalentContact SG-SG 2.04Å; C162-C171 PolarHBondContact SG-SG 2.81Å
163L95.9Very high86.1Confident99 Ų9971.7 Ų71.752%0.51840%0.395SS..PPolyproline II helixtrans-67156.2165.5-64.9-179.8000109.9G165 F166L163-G165 PolarHBondContact O-N 3.38Å; L163-F166 HydrophobicContact CB-CD2 4.4Å; L163-F166 PolarHBondContact O-N 2.97Å; L163-F166 VanDerWaalsContact O-N 3.08Å
164V94.7Very high88.2Confident109 Ų10972.6 Ų72.666%0.66139%0.393SS*.THydrogen-bonded Turntrans-58.8135.3179.6-166.50000109.9N194V164-N194 HydrophobicContact CG1-CB 4.34Å; V164-N194 VanDerWaalsContact CG1-CG 3.48Å; V164-N194 WeakPolarHBondContact CG1-OD1 3.38Å
165G95.1Very high90.1Very high10 Ų1066.8 Ų66.810%0.10337%0.372CS..THydrogen-bonded Turntrans92.6-6.6-173.800000114.3L163 N174 V175L163-G165 PolarHBondContact O-N 3.38Å; G165-N174 PolarHBondContact O-OD1 3.49Å; G165-V175 WeakPolarHBondContact O-CG2 3.4Å; G165-V175 PolarHBondContact O-N 2.98Å
166F97.6Very high91.9Very high25 Ų2569.3 Ų69.311%0.1138%0.384CS..EExtended strand (participates in β ladder)trans-118.7146.4175.2-64.2-77.3000112.8N144 C162 L163 C171 V173 N174 I193N144-F166 HydrophobicContact CB-CD1 3.8Å; N144-F166 HydrophobicContact CB-CD2 3.88Å; N144-F166 HydrophobicContact CB-CE1 3.68Å; N144-F166 HydrophobicContact CB-CE2 3.74Å; N144-F166 HydrophobicContact CB-CG 3.9Å; N144-F166 HydrophobicContact CB-CZ 3.64Å; N144-F166 WeakPolarHBondContact ND2-CD1 3.29Å; N144-F166 VanDerWaalsContact ND2-CE1 3.34Å; N144-F166 WeakPolarHBondContact ND2-CE1 3.37Å; C162-F166 HydrophobicContact CB-CB 4.28Å; C162-F166 WeakPolarHBondContact CB-O 3.39Å; L163-F166 HydrophobicContact CB-CD2 4.4Å; L163-F166 PolarHBondContact O-N 2.97Å; L163-F166 VanDerWaalsContact O-N 3.08Å; F166-C171 HydrophobicContact CB-CB 4.28Å; F166-V173 CarbonylContact C-O 3.52Å; F166-V173 VanDerWaalsContact CA-O 3.26Å; F166-V173 WeakPolarHBondContact CA-O 3.48Å; F166-N174 HydrophobicContact CD1-CB 4.37Å; F166-N174 HydrophobicContact CE1-CB 4.13Å; F166-I193 HydrophobicContact CD2-CG2 4.41Å; F166-I193 HydrophobicContact CE2-CD1 4.45Å; F166-I193 HydrophobicContact CE2-CG1 4.48Å; F166-I193 HydrophobicContact CE2-CG2 3.57Å; F166-I193 HydrophobicContact CZ-CD1 3.86Å; F166-I193 HydrophobicContact CZ-CG1 3.89Å; F166-I193 HydrophobicContact CZ-CG2 3.84Å
167V95.1Very high93.4Very high74 Ų7464.3 Ų64.345%0.44836%0.358SS..EExtended strand (participates in β ladder)trans-139.3174.7176-65.90000110.9C171 E172 V173 V175V167-C171 CarbonylContact O-C 3.55Å; V167-C171 WeakPolarHBondContact O-CA 3.03Å; V167-E172 PolarHBondContact O-N 3.29Å; V167-V173 HydrophobicContact CG2-CB 3.9Å; V167-V173 HydrophobicContact CG2-CG1 4.03Å; V167-V173 PolarHBondContact N-O 3.02Å; V167-V173 WeakPolarHBondContact O-CB 3.38Å; V167-V173 PolarHBondContact O-N 3.47Å; V167-V175 HydrophobicContact CB-CG2 4.29Å; V167-V175 HydrophobicContact CG1-CG2 3.57Å; V167-V175 HydrophobicContact CG2-CG2 3.89Å
168G94.9Very high94.4Very high38 Ų3860.3 Ų60.339%0.39234%0.338SS..SBendtrans104.1165.4-175.200000112.4R170 C171G168-R170 PolarHBondContact O-N 2.82Å; G168-C171 PolarHBondContact O-N 3.02Å
169A91.7Very high95Very high82 Ų8263.1 Ų63.168%0.67836%0.355SS*.THydrogen-bonded Turntrans-65.6-23.7-17600000112.6C160C160-A169 WeakPolarHBondContact CB-O 3.49Å
170R92.9Very high95.2Very high98 Ų9868.4 Ų68.437%0.3738%0.378SS..THydrogen-bonded Turntrans-121.616.7178.9-57.217863.8-174.24.1111.8P141 R143 F158 G168 E172P141-R170 VanDerWaalsContact O-CZ 3.24Å; P141-R170 PolarHBondContact O-NE 3.07Å; P141-R170 PolarHBondContact O-NH2 3.45Å; R143-R170 WeakPolarHBondContact CB-O 3.44Å; R143-R170 PolarHBondContact N-O 3.25Å; F158-R170 HydrophobicContact CE2-CG 4.23Å; F158-R170 HydrophobicContact CZ-CG 4.2Å; G168-R170 PolarHBondContact O-N 2.82Å; R170-E172 WeakPolarHBondContact CA-OE2 3.21Å; R170-E172 WeakPolarHBondContact CB-OE2 3.04Å; R170-E172 PolarHBondContact N-OE2 3.44Å; R170-E172 PolarHBondContact O-N 2.85Å
171C96.6Very high95.3Very high1 Ų177.8 Ų77.81%0.00741%0.411CS..SBendtrans58.732.8-177.7-45.80000113.7N144 C162 F166 V167 G168N144-C171 PolarHBondContact ND2-O 2.74Å; C162-C171 WeakPolarHBondContact CA-SG 3.45Å; C162-C171 HydrophobicContact CB-CB 3.67Å; C162-C171 WeakPolarHBondContact CB-SG 3.03Å; C162-C171 PolarHBondContact N-SG 2.9Å; C162-C171 VanDerWaalsContact N-SG 3.45Å; C162-C171 WeakPolarHBondContact SG-CA 3.37Å; C162-C171 WeakPolarHBondContact SG-CB 3.37Å; C162-C171 CovalentContact SG-SG 2.04Å; C162-C171 PolarHBondContact SG-SG 2.81Å; F166-C171 HydrophobicContact CB-CB 4.28Å; V167-C171 CarbonylContact O-C 3.55Å; V167-C171 WeakPolarHBondContact O-CA 3.03Å; G168-C171 PolarHBondContact O-N 3.02Å
172E95.4Very high95.4Very high97 Ų9772.6 Ų72.645%0.45340%0.396SS..  trans-84.3-18.1-173.168.9-79.3-168.600113.9R143 V167 R170R143-E172 HydrophobicContact CG-CB 4.33Å; V167-E172 PolarHBondContact O-N 3.29Å; R170-E172 WeakPolarHBondContact CA-OE2 3.21Å; R170-E172 WeakPolarHBondContact CB-OE2 3.04Å; R170-E172 PolarHBondContact N-OE2 3.44Å; R170-E172 PolarHBondContact O-N 2.85Å
173V95.9Very high95.5Very high71 Ų7171.4 Ų71.443%0.4339%0.387SS..EExtended strand (participates in β ladder)trans-103.2121.5-174.4-175.90000109.8F166 V167F166-V173 CarbonylContact C-O 3.52Å; F166-V173 VanDerWaalsContact CA-O 3.26Å; F166-V173 WeakPolarHBondContact CA-O 3.48Å; V167-V173 HydrophobicContact CG2-CB 3.9Å; V167-V173 HydrophobicContact CG2-CG1 4.03Å; V167-V173 PolarHBondContact N-O 3.02Å; V167-V173 WeakPolarHBondContact O-CB 3.38Å; V167-V173 PolarHBondContact O-N 3.47Å
174N96.4Very high95.5Very high46 Ų4668 Ų6825%0.24637%0.374CS..EExtended strand (participates in β ladder)trans-70.7131.8165.1-169.544.9000108.9G165 F166 D176 D191 G192G165-N174 PolarHBondContact O-OD1 3.49Å; F166-N174 HydrophobicContact CD1-CB 4.37Å; F166-N174 HydrophobicContact CE1-CB 4.13Å; N174-D176 PolarHBondContact O-N 3.27Å; N174-D191 PolarHBondContact ND2-OD2 3.27Å; N174-G192 PolarHBondContact ND2-O 2.88Å; N174-G192 PolarHBondContact OD1-O 3.38Å
175V96.8Very high95.6Very high54 Ų5466.8 Ų66.833%0.32736%0.364SS..PPolyproline II helixtrans-70.2125.2174.7176.10000108G165 V167 D177G165-V175 WeakPolarHBondContact O-CG2 3.4Å; G165-V175 PolarHBondContact O-N 2.98Å; V167-V175 HydrophobicContact CB-CG2 4.29Å; V167-V175 HydrophobicContact CG1-CG2 3.57Å; V167-V175 HydrophobicContact CG2-CG2 3.89Å; V175-D177 PolarHBondContact O-N 3.23Å; V175-D177 VanDerWaalsContact O-N 3.07Å
176D96.2Very high95.5Very high67 Ų6769.9 Ų69.936%0.35840%0.396SS..  trans-72.9100.5176.8178.5-0.3000110.1N174 C178 L179 D191N174-D176 PolarHBondContact O-N 3.27Å; D176-C178 PolarHBondContact O-N 3.05Å; D176-C178 WeakPolarHBondContact OD1-CA 3.43Å; D176-C178 WeakPolarHBondContact OD1-CB 2.99Å; D176-C178 PolarHBondContact OD1-N 3.49Å; D176-L179 HydrophobicContact CB-CD1 4.02Å; D176-L179 HydrophobicContact CB-CG 3.82Å; D176-L179 WeakPolarHBondContact O-CG 3.39Å; D176-L179 PolarHBondContact O-N 3.28Å; D176-D191 WeakPolarHBondContact CA-OD1 3.39Å
177D96.3Very high95.5Very high41 Ų4169.5 Ų69.522%0.21940%0.397CS..THydrogen-bonded Turntrans-68.6-12.4179.3-72.8-70.7000112.3V175 D191 G192 N194 R195 F196V175-D177 PolarHBondContact O-N 3.23Å; V175-D177 VanDerWaalsContact O-N 3.07Å; D177-D191 PolarHBondContact N-OD1 2.74Å; D177-G192 VanDerWaalsContact OD2-O 3.09Å; D177-N194 WeakPolarHBondContact OD2-CA 3.47Å; D177-N194 PolarHBondContact OD2-N 2.59Å; D177-R195 PolarHBondContact OD2-N 2.84Å; D177-F196 HydrophobicContact CB-CB 3.9Å; D177-F196 HydrophobicContact CB-CD1 4.41Å
178C96.8Very high95.6Very high21 Ų2170.1 Ų70.114%0.14240%0.401CS..THydrogen-bonded Turntrans-88.5-7.6178.7-66.70000114.1D176 M180 R181 C189 L190 D191D176-C178 PolarHBondContact O-N 3.05Å; D176-C178 WeakPolarHBondContact OD1-CA 3.43Å; D176-C178 WeakPolarHBondContact OD1-CB 2.99Å; D176-C178 PolarHBondContact OD1-N 3.49Å; C178-M180 PolarHBondContact O-N 3.33Å; C178-M180 VanDerWaalsContact O-N 3.15Å; C178-R181 WeakPolarHBondContact O-CA 3.27Å; C178-R181 PolarHBondContact O-N 2.83Å; C178-C189 VanDerWaalsContact CA-SG 3.53Å; C178-C189 HydrophobicContact CB-CB 3.68Å; C178-C189 WeakPolarHBondContact CB-SG 3.17Å; C178-C189 WeakPolarHBondContact SG-CB 3.17Å; C178-C189 CovalentContact SG-SG 2.03Å; C178-C189 PolarHBondContact SG-SG 3.15Å; C178-L190 VanDerWaalsContact SG-C 3.51Å; C178-D191 PolarHBondContact SG-N 2.04Å
179L95.2Very high95.8Very high126 Ų12670 Ų7066%0.6639%0.394SS*.THydrogen-bonded Turntrans-55.3-35-178.9-77.7171000113.5D176 R181D176-L179 HydrophobicContact CB-CD1 4.02Å; D176-L179 HydrophobicContact CB-CG 3.82Å; D176-L179 WeakPolarHBondContact O-CG 3.39Å; D176-L179 PolarHBondContact O-N 3.28Å; L179-R181 PolarHBondContact O-N 2.87Å
180M93.4Very high96.1Very high173 Ų17369.6 Ų69.685%0.85238%0.38SS*.THydrogen-bonded Turntrans-82.12.5178.7-65.6-60.1-68.400113.5C178C178-M180 PolarHBondContact O-N 3.33Å; C178-M180 VanDerWaalsContact O-N 3.15Å
181R94.6Very high96.3Very high212 Ų21268.4 Ų68.480%0.838%0.381SS*.  trans5160179.8-55.7174.273.3-125.73.7112.1C178 L179 C183C178-R181 WeakPolarHBondContact O-CA 3.27Å; C178-R181 PolarHBondContact O-N 2.83Å; L179-R181 PolarHBondContact O-N 2.87Å; R181-C183 VanDerWaalsContact C-N 3.26Å; R181-C183 PolarHBondContact O-N 2.02Å
182P95.8Very high96.2Very high33 Ų3369 Ų6921%0.21439%0.388CS..  trans-68.4-22.5-175.128.1-35.1000113.6F196 F208P182-F196 HydrophobicContact CB-CD1 4.49Å; P182-F196 HydrophobicContact CB-CD2 4.11Å; P182-F196 HydrophobicContact CB-CE1 4.1Å; P182-F196 HydrophobicContact CB-CE2 3.68Å; P182-F196 HydrophobicContact CB-CZ 3.72Å; P182-F196 HydrophobicContact CG-CD1 4.01Å; P182-F196 HydrophobicContact CG-CD2 3.52Å; P182-F196 HydrophobicContact CG-CE1 4.13Å; P182-F196 HydrophobicContact CG-CE2 3.65Å; P182-F196 HydrophobicContact CG-CG 3.74Å; P182-F196 HydrophobicContact CG-CZ 3.99Å; P182-F208 HydrophobicContact CB-CD1 4.17Å; P182-F208 HydrophobicContact CB-CE1 4.22Å; P182-F208 WeakPolarHBondContact O-CD1 3.36Å
183C97.8Very high96.2Very high22 Ų2268.6 Ų68.615%0.14939%0.387CS..  trans-84135.4-176.3-49.40000112.4R181 A187 C189 C198R181-C183 VanDerWaalsContact C-N 3.26Å; R181-C183 PolarHBondContact O-N 2.02Å; C183-A187 HydrophobicContact CB-CB 3.83Å; C183-C189 HydrophobicContact CB-CB 4.45Å; C183-C189 WeakPolarHBondContact SG-CB 3.09Å; C183-C189 VanDerWaalsContact SG-SG 3.66Å; C183-C198 WeakPolarHBondContact CA-SG 3.3Å; C183-C198 HydrophobicContact CB-CB 3.73Å; C183-C198 WeakPolarHBondContact CB-SG 3.5Å; C183-C198 VanDerWaalsContact SG-CA 3.51Å; C183-C198 WeakPolarHBondContact SG-CB 3.5Å; C183-C198 CovalentContact SG-SG 2.02Å; C183-C198 PolarHBondContact SG-SG 2.93Å
184A96.7Very high96.1Very high29 Ų2969.5 Ų69.524%0.2439%0.39CS..  trans-99.3175.9-179.300000113G186 A187 F208 T210A184-G186 PolarHBondContact O-N 3.32Å; A184-G186 VanDerWaalsContact O-N 3.09Å; A184-A187 WeakPolarHBondContact O-CB 3.21Å; A184-A187 PolarHBondContact O-N 2.88Å; A184-F208 WeakPolarHBondContact CB-O 3.38Å; A184-F208 PolarHBondContact N-O 2.88Å; A184-T210 HydrophobicContact CB-CG2 3.58Å
185N96.1Very high96.1Very high83 Ų8374 Ų7444%0.44440%0.403SS..THydrogen-bonded Turntrans5433169.1-59.7-40.8000115.6A187 P201 F204 C209N185-A187 VanDerWaalsContact C-N 3.27Å; N185-A187 PolarHBondContact O-N 3.42Å; N185-P201 WeakPolarHBondContact O-CG 3.39Å; N185-F204 HydrophobicContact CB-CD1 4.03Å; N185-F204 HydrophobicContact CB-CD2 4.01Å; N185-F204 HydrophobicContact CB-CE1 3.84Å; N185-F204 HydrophobicContact CB-CE2 3.76Å; N185-F204 HydrophobicContact CB-CG 4.11Å; N185-F204 HydrophobicContact CB-CZ 3.68Å; N185-F204 VanDerWaalsContact CG-CE1 3.45Å; N185-F204 VanDerWaalsContact ND2-CD1 3.33Å; N185-F204 WeakPolarHBondContact ND2-CD1 3.04Å; N185-F204 WeakPolarHBondContact ND2-CE1 3.42Å; N185-C209 PolarHBondContact ND2-O 2.87Å
186G94.1Very high96.1Very high75 Ų7572.9 Ų72.977%0.77339%0.394SS*.THydrogen-bonded Turntrans76.511.4179.800000114.4A184A184-G186 PolarHBondContact O-N 3.32Å; A184-G186 VanDerWaalsContact O-N 3.09Å
187A97.3Very high96.1Very high17 Ų1772.8 Ų72.814%0.1440%0.399CS..PPolyproline II helixtrans-62.3144.9175.700000112.6C183 A184 N185 L199 C209C183-A187 HydrophobicContact CB-CB 3.83Å; A184-A187 WeakPolarHBondContact O-CB 3.21Å; A184-A187 PolarHBondContact O-N 2.88Å; N185-A187 VanDerWaalsContact C-N 3.27Å; N185-A187 PolarHBondContact O-N 3.42Å; A187-L199 WeakPolarHBondContact CA-O 3.32Å; A187-L199 VanDerWaalsContact CB-O 3.29Å; A187-L199 WeakPolarHBondContact CB-O 3.33Å; A187-C209 HydrophobicContact CB-CB 3.72Å; A187-C209 VanDerWaalsContact CB-SG 3.54Å
188T97.6Very high96.2Very high86 Ų8671.8 Ų71.853%0.52840%0.395SS..EExtended strand (participates in β ladder)trans-84.2123.6176.3-60.20000109.2L190 L199T188-L190 HydrophobicContact CG2-CD2 4.38Å; T188-L199 PolarHBondContact N-O 2.87Å; T188-L199 PolarHBondContact O-N 2.95Å
189C98Very high96.3Very high35 Ų3575.4 Ų75.424%0.23641%0.412CS..EExtended strand (participates in β ladder)trans-84.4131.3174.8-168.60000110.1C178 C183C178-C189 VanDerWaalsContact CA-SG 3.53Å; C178-C189 HydrophobicContact CB-CB 3.68Å; C178-C189 WeakPolarHBondContact CB-SG 3.17Å; C178-C189 WeakPolarHBondContact SG-CB 3.17Å; C178-C189 CovalentContact SG-SG 2.03Å; C178-C189 PolarHBondContact SG-SG 3.15Å; C183-C189 HydrophobicContact CB-CB 4.45Å; C183-C189 WeakPolarHBondContact SG-CB 3.09Å; C183-C189 VanDerWaalsContact SG-SG 3.66Å
190L97.6Very high96.4Very high75 Ų7571.6 Ų71.639%0.39340%0.395SS..EExtended strand (participates in β ladder)trans-108.5120.3172.4-57.8-179.4000108.9C178 T188 F196 S197 L199C178-L190 VanDerWaalsContact SG-C 3.51Å; T188-L190 HydrophobicContact CG2-CD2 4.38Å; L190-F196 CarbonylContact O-C 3.54Å; L190-F196 VanDerWaalsContact O-CA 3.32Å; L190-F196 WeakPolarHBondContact O-CA 3.35Å; L190-S197 WeakPolarHBondContact CB-O 3.48Å; L190-S197 PolarHBondContact N-O 2.96Å; L190-S197 PolarHBondContact O-N 2.96Å; L190-L199 HydrophobicContact CD1-CD1 3.82Å; L190-L199 HydrophobicContact CD1-CD2 3.89Å; L190-L199 HydrophobicContact CD1-CG 3.67Å; L190-L199 HydrophobicContact CD2-CD1 4.12Å; L190-L199 HydrophobicContact CG-CD1 4.1Å; L190-L199 HydrophobicContact CG-CG 3.98Å
191D96.8Very high96.6Very high73 Ų7365.7 Ų65.739%0.3937%0.37SS..EExtended strand (participates in β ladder)trans-68.2151.1173.6-177.646.9000111.2N174 D176 D177 C178N174-D191 PolarHBondContact ND2-OD2 3.27Å; D176-D191 WeakPolarHBondContact CA-OD1 3.39Å; D177-D191 PolarHBondContact N-OD1 2.74Å; C178-D191 PolarHBondContact SG-N 2.04Å
192G94.6Very high96.6Very high14 Ų1462.4 Ų62.414%0.14436%0.364CS..  trans-151.3-175.2178.900000110.4N174 D177 N194 R195N174-G192 PolarHBondContact ND2-O 2.88Å; N174-G192 PolarHBondContact OD1-O 3.38Å; D177-G192 VanDerWaalsContact OD2-O 3.09Å; G192-N194 PolarHBondContact O-N 3.48Å; G192-R195 CarbonylContact C-O 3.53Å; G192-R195 VanDerWaalsContact C-O 3.29Å; G192-R195 WeakPolarHBondContact CA-O 3.35Å; G192-R195 PolarHBondContact N-O 3.17Å
193I95.6Very high96.6Very high87 Ų8761 Ų6145%0.44636%0.355SS..SBendtrans-85.1108.9177.6-59.3167.8000108.1F166 R195F166-I193 HydrophobicContact CD2-CG2 4.41Å; F166-I193 HydrophobicContact CE2-CD1 4.45Å; F166-I193 HydrophobicContact CE2-CG1 4.48Å; F166-I193 HydrophobicContact CE2-CG2 3.57Å; F166-I193 HydrophobicContact CZ-CD1 3.86Å; F166-I193 HydrophobicContact CZ-CG1 3.89Å; F166-I193 HydrophobicContact CZ-CG2 3.84Å; I193-R195 PolarHBondContact O-N 2.04Å; I193-R195 PolarHBondContact O-NH1 3.22Å; I193-R195 VanDerWaalsContact O-NH1 3.13Å
194N95.1Very high96.6Very high91 Ų9161.6 Ų61.649%0.48736%0.356SS..SBendtrans53.733.2-179.2-170.646.2000112.8V164 D177 G192V164-N194 HydrophobicContact CG1-CB 4.34Å; V164-N194 VanDerWaalsContact CG1-CG 3.48Å; V164-N194 WeakPolarHBondContact CG1-OD1 3.38Å; D177-N194 WeakPolarHBondContact OD2-CA 3.47Å; D177-N194 PolarHBondContact OD2-N 2.59Å; G192-N194 PolarHBondContact O-N 3.48Å
195R95.4Very high96.5Very high140 Ų14061.6 Ų61.653%0.52836%0.356SS..  trans-165.8150.7179.871.6-174-175.9-79.21.4108.8D177 G192 I193D177-R195 PolarHBondContact OD2-N 2.84Å; G192-R195 CarbonylContact C-O 3.53Å; G192-R195 VanDerWaalsContact C-O 3.29Å; G192-R195 WeakPolarHBondContact CA-O 3.35Å; G192-R195 PolarHBondContact N-O 3.17Å; I193-R195 PolarHBondContact O-N 2.04Å; I193-R195 PolarHBondContact O-NH1 3.22Å; I193-R195 VanDerWaalsContact O-NH1 3.13Å
196F96.6Very high96.5Very high31 Ų3159.4 Ų59.414%0.13635%0.352CS..EExtended strand (participates in β ladder)trans-117.1165.5166.665.5-84.1000110.5D177 P182 L190 F208D177-F196 HydrophobicContact CB-CB 3.9Å; D177-F196 HydrophobicContact CB-CD1 4.41Å; P182-F196 HydrophobicContact CB-CD1 4.49Å; P182-F196 HydrophobicContact CB-CD2 4.11Å; P182-F196 HydrophobicContact CB-CE1 4.1Å; P182-F196 HydrophobicContact CB-CE2 3.68Å; P182-F196 HydrophobicContact CB-CZ 3.72Å; P182-F196 HydrophobicContact CG-CD1 4.01Å; P182-F196 HydrophobicContact CG-CD2 3.52Å; P182-F196 HydrophobicContact CG-CE1 4.13Å; P182-F196 HydrophobicContact CG-CE2 3.65Å; P182-F196 HydrophobicContact CG-CG 3.74Å; P182-F196 HydrophobicContact CG-CZ 3.99Å; L190-F196 CarbonylContact O-C 3.54Å; L190-F196 VanDerWaalsContact O-CA 3.32Å; L190-F196 WeakPolarHBondContact O-CA 3.35Å; F196-F208 HydrophobicContact CE1-CE1 4.44Å; F196-F208 HydrophobicContact CE2-CD1 4.07Å; F196-F208 HydrophobicContact CE2-CE1 4.02Å; F196-F208 AromaticContact CZ-CD1 3.95Å; F196-F208 HydrophobicContact CZ-CD1 3.95Å; F196-F208 AromaticContact CZ-CE1 3.42Å; F196-F208 HydrophobicContact CZ-CE1 3.42Å; F196-F208 VanDerWaalsContact CZ-CE1 3.42Å; F196-F208 HydrophobicContact CZ-CZ 4.21Å
197S97.3Very high96.6Very high65 Ų6563.9 Ų63.946%0.45535%0.346SS..EExtended strand (participates in β ladder)trans-134137.6168.7-65.40000110.2L190L190-S197 WeakPolarHBondContact CB-O 3.48Å; L190-S197 PolarHBondContact N-O 2.96Å; L190-S197 PolarHBondContact O-N 2.96Å
198C98.1Very high96.6Very high19 Ų1967.3 Ų67.313%0.12836%0.358CS..EExtended strand (participates in β ladder)trans-100.1124.2177.1-59.70000109.9C183 C200 R207 C209C183-C198 WeakPolarHBondContact CA-SG 3.3Å; C183-C198 HydrophobicContact CB-CB 3.73Å; C183-C198 WeakPolarHBondContact CB-SG 3.5Å; C183-C198 VanDerWaalsContact SG-CA 3.51Å; C183-C198 WeakPolarHBondContact SG-CB 3.5Å; C183-C198 CovalentContact SG-SG 2.02Å; C183-C198 PolarHBondContact SG-SG 2.93Å; C198-C200 PolarHBondContact O-N 2.74Å; C198-R207 WeakPolarHBondContact CB-O 3.4Å; C198-R207 PolarHBondContact SG-O 3.47Å; C198-C209 WeakPolarHBondContact CB-SG 3.4Å
199L98Very high96.6Very high97 Ų9763.2 Ų63.251%0.50833%0.333SS..EExtended strand (participates in β ladder)trans-82.5103.2166.9-64.4-179.2000108.5A187 T188 L190A187-L199 WeakPolarHBondContact CA-O 3.32Å; A187-L199 VanDerWaalsContact CB-O 3.29Å; A187-L199 WeakPolarHBondContact CB-O 3.33Å; T188-L199 PolarHBondContact N-O 2.87Å; T188-L199 PolarHBondContact O-N 2.95Å; L190-L199 HydrophobicContact CD1-CD1 3.82Å; L190-L199 HydrophobicContact CD1-CD2 3.89Å; L190-L199 HydrophobicContact CD1-CG 3.67Å; L190-L199 HydrophobicContact CD2-CD1 4.12Å; L190-L199 HydrophobicContact CG-CD1 4.1Å; L190-L199 HydrophobicContact CG-CG 3.98Å
200C97.9Very high96.6Very high46 Ų4665.8 Ų65.831%0.31135%0.347SS..PPolyproline II helixtrans-73.2135.3-178.8-55.30000111C198 F204 G206 C209C198-C200 PolarHBondContact O-N 2.74Å; C200-F204 HydrophobicContact CB-CB 4.27Å; C200-F204 WeakPolarHBondContact CB-O 3.13Å; C200-G206 PolarHBondContact SG-O 3.09Å; C200-C209 WeakPolarHBondContact CA-SG 3.48Å; C200-C209 HydrophobicContact CB-CB 3.73Å; C200-C209 WeakPolarHBondContact CB-SG 3.34Å; C200-C209 PolarHBondContact N-SG 3.29Å; C200-C209 VanDerWaalsContact N-SG 3.45Å; C200-C209 WeakPolarHBondContact SG-CA 3.49Å; C200-C209 WeakPolarHBondContact SG-CB 3.49Å; C200-C209 CovalentContact SG-SG 2.04Å; C200-C209 PolarHBondContact SG-SG 3.41Å
201P96.9Very high96.5Very high49 Ų4966.8 Ų66.832%0.31835%0.352SS..PPolyproline II helixtrans-66.3162.6167.220.1-17.8000110.4N185 F204N185-P201 WeakPolarHBondContact O-CG 3.39Å; P201-F204 HydrophobicContact CG-CD2 3.87Å; P201-F204 PolarHBondContact O-N 2.94Å; P201-F204 VanDerWaalsContact O-N 3.09Å
202E96.1Very high96.5Very high143 Ų14365.8 Ų65.867%0.66835%0.347SS*.THydrogen-bonded Turntrans-54.5142.4178.3-62.5-177.315000111.3F204 H232E202-F204 VanDerWaalsContact C-N 3.26Å; E202-F204 PolarHBondContact O-N 3.5Å; E202-H232 HydrophobicContact CB-CB 4.18Å; E202-H232 IonicContact OE2-CD2 3.79Å; E202-H232 PolarHBondContact OE2-CD2 3.31Å; E202-H232 IonicContact OE2-NE2 2.8Å; E202-H232 PolarHBondContact OE2-NE2 3.47Å
203G95.1Very high96.6Very high4 Ų469 Ų694%0.04136%0.36CS..THydrogen-bonded Turntrans81.4-8.7-174.100000114.9N212 L213G203-N212 PolarHBondContact O-OD1 3.15Å; G203-N212 VanDerWaalsContact O-OD1 3.07Å; G203-L213 WeakPolarHBondContact O-CB 3.33Å; G203-L213 PolarHBondContact O-N 3.15Å
204F97.7Very high96.6Very high35 Ų3569.3 Ų69.315%0.15436%0.363CS..EExtended strand (participates in β ladder)trans-114150.4176.6-66.1-77.6000113.9N185 C200 P201 E202 C209 I211 N212 V231N185-F204 HydrophobicContact CB-CD1 4.03Å; N185-F204 HydrophobicContact CB-CD2 4.01Å; N185-F204 HydrophobicContact CB-CE1 3.84Å; N185-F204 HydrophobicContact CB-CE2 3.76Å; N185-F204 HydrophobicContact CB-CG 4.11Å; N185-F204 HydrophobicContact CB-CZ 3.68Å; N185-F204 VanDerWaalsContact CG-CE1 3.45Å; N185-F204 VanDerWaalsContact ND2-CD1 3.33Å; N185-F204 WeakPolarHBondContact ND2-CD1 3.04Å; N185-F204 WeakPolarHBondContact ND2-CE1 3.42Å; C200-F204 HydrophobicContact CB-CB 4.27Å; C200-F204 WeakPolarHBondContact CB-O 3.13Å; P201-F204 HydrophobicContact CG-CD2 3.87Å; P201-F204 PolarHBondContact O-N 2.94Å; P201-F204 VanDerWaalsContact O-N 3.09Å; E202-F204 VanDerWaalsContact C-N 3.26Å; E202-F204 PolarHBondContact O-N 3.5Å; F204-C209 HydrophobicContact CB-CB 4.39Å; F204-I211 CarbonylContact C-O 3.48Å; F204-I211 VanDerWaalsContact CA-O 3.25Å; F204-I211 WeakPolarHBondContact CA-O 3.42Å; F204-N212 HydrophobicContact CE1-CB 4.39Å; F204-V231 HydrophobicContact CD2-CG1 4.07Å; F204-V231 HydrophobicContact CE1-CG2 4.49Å; F204-V231 HydrophobicContact CE2-CG1 3.35Å; F204-V231 HydrophobicContact CE2-CG2 4.35Å; F204-V231 HydrophobicContact CZ-CB 4.44Å; F204-V231 HydrophobicContact CZ-CG1 3.69Å; F204-V231 HydrophobicContact CZ-CG2 3.81Å
205A95.8Very high96.7Very high29 Ų2966.7 Ų66.724%0.2435%0.349CS..EExtended strand (participates in β ladder)trans-144.1175.5178.800000113.1C209 T210 I211 L213A205-C209 CarbonylContact O-C 3.49Å; A205-C209 VanDerWaalsContact O-CA 3.31Å; A205-C209 WeakPolarHBondContact O-CA 3.39Å; A205-T210 PolarHBondContact O-N 2.98Å; A205-I211 HydrophobicContact CB-CB 4.47Å; A205-I211 PolarHBondContact N-O 3Å; A205-I211 VanDerWaalsContact O-CB 3.32Å; A205-I211 WeakPolarHBondContact O-CB 3.2Å; A205-I211 PolarHBondContact O-N 3.04Å; A205-I211 VanDerWaalsContact O-N 3.14Å; A205-L213 HydrophobicContact CB-CD1 4.43Å; A205-L213 HydrophobicContact CB-CD2 3.62Å; A205-L213 HydrophobicContact CB-CG 4.01Å
206G96.1Very high96.7Very high36 Ų3660.8 Ų60.837%0.37133%0.329SS..SBendtrans90.8166.3179.900000113.4C200 F208 C209C200-G206 PolarHBondContact SG-O 3.09Å; G206-F208 PolarHBondContact O-N 2.93Å; G206-F208 VanDerWaalsContact O-N 3.11Å; G206-C209 PolarHBondContact O-N 3.47Å
207R95.6Very high96.7Very high169 Ų16962.4 Ų62.464%0.63835%0.348SS*.THydrogen-bonded Turntrans-56.4-31.6-175.4-176.9175.4-177.6163.10.8113.9C198C198-R207 WeakPolarHBondContact CB-O 3.4Å; C198-R207 PolarHBondContact SG-O 3.47Å
208F96.9Very high96.6Very high89 Ų8964 Ų6439%0.3936%0.359SS..THydrogen-bonded Turntrans-109.15.6-178.8-56.7-78.3000112.9P182 A184 F196 G206 T210P182-F208 HydrophobicContact CB-CD1 4.17Å; P182-F208 HydrophobicContact CB-CE1 4.22Å; P182-F208 WeakPolarHBondContact O-CD1 3.36Å; A184-F208 WeakPolarHBondContact CB-O 3.38Å; A184-F208 PolarHBondContact N-O 2.88Å; F196-F208 HydrophobicContact CE1-CE1 4.44Å; F196-F208 HydrophobicContact CE2-CD1 4.07Å; F196-F208 HydrophobicContact CE2-CE1 4.02Å; F196-F208 AromaticContact CZ-CD1 3.95Å; F196-F208 HydrophobicContact CZ-CD1 3.95Å; F196-F208 AromaticContact CZ-CE1 3.42Å; F196-F208 HydrophobicContact CZ-CE1 3.42Å; F196-F208 VanDerWaalsContact CZ-CE1 3.42Å; F196-F208 HydrophobicContact CZ-CZ 4.21Å; G206-F208 PolarHBondContact O-N 2.93Å; G206-F208 VanDerWaalsContact O-N 3.11Å; F208-T210 HydrophobicContact CB-CG2 3.91Å; F208-T210 PolarHBondContact O-N 3.02Å
209C97.6Very high96.4Very high0 Ų070.9 Ų70.90%039%0.389CS..SBendtrans56.330.8-175.8-49.30000114.4N185 A187 C198 C200 F204 A205 G206N185-C209 PolarHBondContact ND2-O 2.87Å; A187-C209 HydrophobicContact CB-CB 3.72Å; A187-C209 VanDerWaalsContact CB-SG 3.54Å; C198-C209 WeakPolarHBondContact CB-SG 3.4Å; C200-C209 WeakPolarHBondContact CA-SG 3.48Å; C200-C209 HydrophobicContact CB-CB 3.73Å; C200-C209 WeakPolarHBondContact CB-SG 3.34Å; C200-C209 PolarHBondContact N-SG 3.29Å; C200-C209 VanDerWaalsContact N-SG 3.45Å; C200-C209 WeakPolarHBondContact SG-CA 3.49Å; C200-C209 WeakPolarHBondContact SG-CB 3.49Å; C200-C209 CovalentContact SG-SG 2.04Å; C200-C209 PolarHBondContact SG-SG 3.41Å; F204-C209 HydrophobicContact CB-CB 4.39Å; A205-C209 CarbonylContact O-C 3.49Å; A205-C209 VanDerWaalsContact O-CA 3.31Å; A205-C209 WeakPolarHBondContact O-CA 3.39Å; G206-C209 PolarHBondContact O-N 3.47Å
210T97.3Very high96.4Very high89 Ų8967.4 Ų67.455%0.54637%0.372SS..  trans-89.9-12-17952.30000113.3A184 A205 F208A184-T210 HydrophobicContact CB-CG2 3.58Å; A205-T210 PolarHBondContact O-N 2.98Å; F208-T210 HydrophobicContact CB-CG2 3.91Å; F208-T210 PolarHBondContact O-N 3.02Å
211I96.4Very high96.3Very high96 Ų9666.1 Ų66.149%0.49236%0.364SS..EExtended strand (participates in β ladder)trans-92.9118.6-175.3-54.4174.2000107.9F204 A205F204-I211 CarbonylContact C-O 3.48Å; F204-I211 VanDerWaalsContact CA-O 3.25Å; F204-I211 WeakPolarHBondContact CA-O 3.42Å; A205-I211 HydrophobicContact CB-CB 4.47Å; A205-I211 PolarHBondContact N-O 3Å; A205-I211 VanDerWaalsContact O-CB 3.32Å; A205-I211 WeakPolarHBondContact O-CB 3.2Å; A205-I211 PolarHBondContact O-N 3.04Å; A205-I211 VanDerWaalsContact O-N 3.14Å
212N95.9Very high96.2Very high52 Ų5268.2 Ų68.228%0.27837%0.369SS..EExtended strand (participates in β ladder)trans-75130.3166.2-165.933.9000108.7G203 F204 D229 R230G203-N212 PolarHBondContact O-OD1 3.15Å; G203-N212 VanDerWaalsContact O-OD1 3.07Å; F204-N212 HydrophobicContact CE1-CB 4.39Å; N212-D229 PolarHBondContact ND2-OD2 2.83Å; N212-R230 PolarHBondContact ND2-O 3.29Å; N212-R230 PolarHBondContact OD1-O 3.01Å
213L96.8Very high96Very high82 Ų8267.2 Ų67.243%0.42936%0.359SS..PPolyproline II helixtrans-74.9133.1175.1-69.4174.9000108.9G203 A205 D215G203-L213 WeakPolarHBondContact O-CB 3.33Å; G203-L213 PolarHBondContact O-N 3.15Å; A205-L213 HydrophobicContact CB-CD1 4.43Å; A205-L213 HydrophobicContact CB-CD2 3.62Å; A205-L213 HydrophobicContact CB-CG 4.01Å; L213-D215 PolarHBondContact O-N 3.11Å; L213-D215 VanDerWaalsContact O-N 3.11Å
214D96.2Very high95.7Very high94 Ų9470.9 Ų70.950%0.50340%0.397SS..  trans-75.999.7-179.2-1784.7000110.4C216 A217 D229D214-C216 PolarHBondContact O-N 2.86Å; D214-C216 WeakPolarHBondContact OD1-CA 3.4Å; D214-C216 WeakPolarHBondContact OD1-CB 3.21Å; D214-C216 PolarHBondContact OD1-N 3.11Å; D214-A217 HydrophobicContact CB-CB 4.29Å; D214-A217 VanDerWaalsContact O-CB 3.28Å; D214-A217 WeakPolarHBondContact O-CB 3.38Å; D214-A217 PolarHBondContact O-N 3.36Å; D214-D229 WeakPolarHBondContact CA-OD1 3.36Å
215D96.4Very high95.6Very high36 Ų3669.8 Ų69.819%0.19339%0.394CS..THydrogen-bonded Turntrans-69.9-12.7178.5-68.9-61.4000111.9L213 D229 R230 H232 D233 F234L213-D215 PolarHBondContact O-N 3.11Å; L213-D215 VanDerWaalsContact O-N 3.11Å; D215-D229 PolarHBondContact N-OD1 2.91Å; D215-R230 VanDerWaalsContact OD2-O 3.08Å; D215-H232 VanDerWaalsContact OD2-CA 3.32Å; D215-H232 WeakPolarHBondContact OD2-CA 3.47Å; D215-H232 PolarHBondContact OD2-N 2.88Å; D215-D233 WeakPolarHBondContact CB-O 3.22Å; D215-D233 VanDerWaalsContact CG-O 3.31Å; D215-D233 PolarHBondContact OD2-N 3.35Å; D215-F234 HydrophobicContact CB-CB 4.05Å
216C96.6Very high95.6Very high15 Ų1577.5 Ų77.510%0.10142%0.417CS..THydrogen-bonded Turntrans-86.6-9174.3-660000113.9D214 S218 H219 C227 D229D214-C216 PolarHBondContact O-N 2.86Å; D214-C216 WeakPolarHBondContact OD1-CA 3.4Å; D214-C216 WeakPolarHBondContact OD1-CB 3.21Å; D214-C216 PolarHBondContact OD1-N 3.11Å; C216-S218 PolarHBondContact O-N 2.87Å; C216-H219 WeakPolarHBondContact O-CA 3.38Å; C216-H219 PolarHBondContact O-N 3.1Å; C216-C227 VanDerWaalsContact CA-SG 3.5Å; C216-C227 HydrophobicContact CB-CB 3.64Å; C216-C227 WeakPolarHBondContact CB-SG 3.42Å; C216-C227 VanDerWaalsContact SG-C 3.53Å; C216-C227 WeakPolarHBondContact SG-CB 3.23Å; C216-C227 CovalentContact SG-SG 2.03Å; C216-C227 PolarHBondContact SG-SG 2.95Å; C216-D229 PolarHBondContact SG-N 3.45Å; C216-D229 VanDerWaalsContact SG-N 3.37Å
217A96Very high95.7Very high65 Ų6577.4 Ų77.454%0.53741%0.41SS..THydrogen-bonded Turntrans-61.8-28.2-175.100000113.5D214 H219D214-A217 HydrophobicContact CB-CB 4.29Å; D214-A217 VanDerWaalsContact O-CB 3.28Å; D214-A217 WeakPolarHBondContact O-CB 3.38Å; D214-A217 PolarHBondContact O-N 3.36Å; A217-H219 PolarHBondContact O-N 3Å
218S95.1Very high95.8Very high99 Ų9974.8 Ų74.869%0.69240%0.401SS*.THydrogen-bonded Turntrans-82.44.2175.665.30000113.8C216C216-S218 PolarHBondContact O-N 2.87Å
219H95.3Very high95.7Very high163 Ų16373.3 Ų73.376%0.75540%0.397SS*.  trans49.457.1-174.5-59-62000113.8C216 A217 C221C216-H219 WeakPolarHBondContact O-CA 3.38Å; C216-H219 PolarHBondContact O-N 3.1Å; A217-H219 PolarHBondContact O-N 3Å; H219-C221 VanDerWaalsContact C-N 3.26Å; H219-C221 PolarHBondContact O-N 3.49Å
220P96.1Very high95.6Very high24 Ų2478.7 Ų78.716%0.15642%0.417CS..  trans-69.4-22-174.829.2-35.6000113.6F234 T246P220-F234 HydrophobicContact CB-CD1 4.35Å; P220-F234 HydrophobicContact CB-CD2 4.12Å; P220-F234 HydrophobicContact CB-CE1 3.91Å; P220-F234 HydrophobicContact CB-CE2 3.67Å; P220-F234 HydrophobicContact CB-CG 4.45Å; P220-F234 HydrophobicContact CB-CZ 3.55Å; P220-F234 HydrophobicContact CG-CD1 3.95Å; P220-F234 HydrophobicContact CG-CD2 3.61Å; P220-F234 HydrophobicContact CG-CE1 4.04Å; P220-F234 HydrophobicContact CG-CE2 3.72Å; P220-F234 HydrophobicContact CG-CG 3.75Å; P220-F234 HydrophobicContact CG-CZ 3.93Å; P220-T246 VanDerWaalsContact O-CB 3.24Å; P220-T246 WeakPolarHBondContact O-CB 3.13Å; P220-T246 VanDerWaalsContact O-CG2 3.31Å; P220-T246 WeakPolarHBondContact O-CG2 3.3Å
221C97Very high95.5Very high20 Ų2078.1 Ų78.114%0.13541%0.413CS..  trans-80.8125.7-177.7-54.90000112.4H219 A225 C227 C236H219-C221 VanDerWaalsContact C-N 3.26Å; H219-C221 PolarHBondContact O-N 3.49Å; C221-A225 HydrophobicContact CB-CB 3.96Å; C221-C227 HydrophobicContact CB-CB 4.41Å; C221-C227 VanDerWaalsContact SG-CA 3.59Å; C221-C227 WeakPolarHBondContact SG-CB 3.48Å; C221-C227 VanDerWaalsContact SG-SG 3.61Å; C221-C236 WeakPolarHBondContact CA-SG 3.45Å; C221-C236 HydrophobicContact CB-CB 3.8Å; C221-C236 WeakPolarHBondContact CB-SG 3.01Å; C221-C236 WeakPolarHBondContact SG-CA 3.37Å; C221-C236 WeakPolarHBondContact SG-CB 3.35Å; C221-C236 CovalentContact SG-SG 2.02Å; C221-C236 PolarHBondContact SG-SG 3.21Å
222Q95.4Very high95.4Very high92 Ų9278.4 Ų78.443%0.4341%0.412SS..  trans-86.6170.5-178.9-57.8-175.122.400112.5G224 A225 T246Q222-G224 PolarHBondContact O-N 3.33Å; Q222-G224 VanDerWaalsContact O-N 3.12Å; Q222-A225 VanDerWaalsContact O-CB 3.23Å; Q222-A225 WeakPolarHBondContact O-CB 3.26Å; Q222-A225 PolarHBondContact O-N 2.94Å; Q222-T246 WeakPolarHBondContact CB-O 2.98Å; Q222-T246 PolarHBondContact N-O 2.92Å
223R92Very high95.4Very high123 Ų12379 Ų7946%0.46442%0.416SS..THydrogen-bonded Turntrans57.131.1169.2-50.1-179.8-172.1-90.60.9114.3A225 Y242 C247 E248R223-A225 PolarHBondContact O-N 3.31Å; R223-Y242 VanDerWaalsContact CZ-CE1 3.44Å; R223-Y242 VanDerWaalsContact NE-CD1 3.32Å; R223-Y242 VanDerWaalsContact NE-CE1 3.3Å; R223-C247 WeakPolarHBondContact CD-O 3Å; R223-C247 PolarHBondContact NE-O 2.91Å; R223-E248 PolarHBondContact NH2-O 3.47Å
224G88.1Confident95.4Very high80 Ų8076.9 Ų76.983%0.82540%0.403SS*.THydrogen-bonded Turntrans70.716.6-179.500000114.3Q222Q222-G224 PolarHBondContact O-N 3.33Å; Q222-G224 VanDerWaalsContact O-N 3.12Å
225A95.2Very high95.4Very high13 Ų1374.3 Ų74.311%0.10739%0.389CS..PPolyproline II helixtrans-63.6141.5175.200000111.4C221 Q222 R223 C227 L237 C247C221-A225 HydrophobicContact CB-CB 3.96Å; Q222-A225 VanDerWaalsContact O-CB 3.23Å; Q222-A225 WeakPolarHBondContact O-CB 3.26Å; Q222-A225 PolarHBondContact O-N 2.94Å; R223-A225 PolarHBondContact O-N 3.31Å; A225-C227 PolarHBondContact O-N 3.43Å; A225-L237 WeakPolarHBondContact CB-O 3.31Å; A225-C247 HydrophobicContact CB-CB 4.21Å; A225-C247 VanDerWaalsContact CB-SG 3.51Å
226R96.3Very high95.5Very high190 Ų19073.6 Ų73.672%0.71739%0.387SS*.EExtended strand (participates in β ladder)trans-76.6124.8177.1179.1177.4177.7-177.51.6109.5L237R226-L237 HydrophobicContact CB-CB 4.34Å; R226-L237 HydrophobicContact CB-CD1 4.28Å; R226-L237 HydrophobicContact CG-CD1 4.33Å; R226-L237 PolarHBondContact O-N 3.33Å
227C97.6Very high95.5Very high34 Ų3477.3 Ų77.323%0.2341%0.405CS..EExtended strand (participates in β ladder)trans-84.1141.1173.6-166.70000111.3C216 C221 A225C216-C227 VanDerWaalsContact CA-SG 3.5Å; C216-C227 HydrophobicContact CB-CB 3.64Å; C216-C227 WeakPolarHBondContact CB-SG 3.42Å; C216-C227 VanDerWaalsContact SG-C 3.53Å; C216-C227 WeakPolarHBondContact SG-CB 3.23Å; C216-C227 CovalentContact SG-SG 2.03Å; C216-C227 PolarHBondContact SG-SG 2.95Å; C221-C227 HydrophobicContact CB-CB 4.41Å; C221-C227 VanDerWaalsContact SG-CA 3.59Å; C221-C227 WeakPolarHBondContact SG-CB 3.48Å; C221-C227 VanDerWaalsContact SG-SG 3.61Å; A225-C227 PolarHBondContact O-N 3.43Å
228R96.9Very high95.4Very high115 Ų11576.2 Ų76.243%0.43439%0.393SS..EExtended strand (participates in β ladder)trans-120.7119.2169.9174.7176.468.7-169.8-5.1109.1R230 D235R228-R230 VanDerWaalsContact CZ-NH2 3.27Å; R228-D235 HydrophobicContact CB-CB 4.28Å; R228-D235 IonicContact CZ-OD2 3.09Å; R228-D235 PolarHBondContact N-O 2.9Å; R228-D235 IonicContact NE-OD2 3.66Å; R228-D235 PolarHBondContact NE-OD2 3.47Å; R228-D235 IonicContact NH2-OD2 3.11Å; R228-D235 PolarHBondContact NH2-OD2 3Å; R228-D235 PolarHBondContact O-N 3.47Å
229D96Very high95.3Very high58 Ų5874 Ų7431%0.3138%0.377SS..EExtended strand (participates in β ladder)trans-60.8140175.9-176.246.8000111.9N212 D214 D215 C216N212-D229 PolarHBondContact ND2-OD2 2.83Å; D214-D229 WeakPolarHBondContact CA-OD1 3.36Å; D215-D229 PolarHBondContact N-OD1 2.91Å; C216-D229 PolarHBondContact SG-N 3.45Å; C216-D229 VanDerWaalsContact SG-N 3.37Å
230R94.9Very high95.1Very high112 Ų11272.2 Ų72.242%0.42338%0.382SS..  trans-131.2-168171.3-59.3-66-159.7156.612.6108.5N212 D215 R228 D233 D235N212-R230 PolarHBondContact ND2-O 3.29Å; N212-R230 PolarHBondContact OD1-O 3.01Å; D215-R230 VanDerWaalsContact OD2-O 3.08Å; R228-R230 VanDerWaalsContact CZ-NH2 3.27Å; R230-D233 CarbonylContact C-O 3.52Å; R230-D233 WeakPolarHBondContact CA-O 3.29Å; R230-D233 HydrophobicContact CB-CB 4.12Å; R230-D233 WeakPolarHBondContact CB-O 3.41Å; R230-D233 PolarHBondContact N-O 2.86Å; R230-D235 IonicContact CZ-OD2 3.29Å; R230-D235 IonicContact NE-OD2 2.74Å; R230-D235 PolarHBondContact NE-OD2 2.9Å; R230-D235 IonicContact NH2-OD2 3Å; R230-D235 PolarHBondContact NH2-OD2 3.47Å
231V95.3Very high94.8Very high77 Ų7772.4 Ų72.447%0.46739%0.389SS..SBendtrans-96.5110.5177.7175.30000107.2F204 D233F204-V231 HydrophobicContact CD2-CG1 4.07Å; F204-V231 HydrophobicContact CE1-CG2 4.49Å; F204-V231 HydrophobicContact CE2-CG1 3.35Å; F204-V231 HydrophobicContact CE2-CG2 4.35Å; F204-V231 HydrophobicContact CZ-CB 4.44Å; F204-V231 HydrophobicContact CZ-CG1 3.69Å; F204-V231 HydrophobicContact CZ-CG2 3.81Å; V231-D233 PolarHBondContact O-N 3.4Å
232H94.9Very high94.6Very high102 Ų10275.2 Ų75.247%0.47240%0.397SS..SBendtrans56.629.1-176.1-16349.2000113E202 D215E202-H232 HydrophobicContact CB-CB 4.18Å; E202-H232 IonicContact OE2-CD2 3.79Å; E202-H232 PolarHBondContact OE2-CD2 3.31Å; E202-H232 IonicContact OE2-NE2 2.8Å; E202-H232 PolarHBondContact OE2-NE2 3.47Å; D215-H232 VanDerWaalsContact OD2-CA 3.32Å; D215-H232 WeakPolarHBondContact OD2-CA 3.47Å; D215-H232 PolarHBondContact OD2-N 2.88Å
233D95.8Very high94.4Very high65 Ų6571.3 Ų71.335%0.34838%0.381SS..  trans-162.4169.8-179.7-164.114.4000110.2D215 R230 V231 K245D215-D233 WeakPolarHBondContact CB-O 3.22Å; D215-D233 VanDerWaalsContact CG-O 3.31Å; D215-D233 PolarHBondContact OD2-N 3.35Å; R230-D233 CarbonylContact C-O 3.52Å; R230-D233 WeakPolarHBondContact CA-O 3.29Å; R230-D233 HydrophobicContact CB-CB 4.12Å; R230-D233 WeakPolarHBondContact CB-O 3.41Å; R230-D233 PolarHBondContact N-O 2.86Å; V231-D233 PolarHBondContact O-N 3.4Å; D233-K245 WeakPolarHBondContact OD1-CE 3.42Å; D233-K245 IonicContact OD1-NZ 3.38Å; D233-K245 PolarHBondContact OD1-NZ 3.5Å; D233-K245 IonicContact OD2-NZ 2.75Å; D233-K245 PolarHBondContact OD2-NZ 3.28Å
234F96.6Very high94.5Very high37 Ų3767.2 Ų67.216%0.16238%0.378CS..EExtended strand (participates in β ladder)trans-141.7154.217562.5-87.9000111.3D215 P220 K245 T246D215-F234 HydrophobicContact CB-CB 4.05Å; P220-F234 HydrophobicContact CB-CD1 4.35Å; P220-F234 HydrophobicContact CB-CD2 4.12Å; P220-F234 HydrophobicContact CB-CE1 3.91Å; P220-F234 HydrophobicContact CB-CE2 3.67Å; P220-F234 HydrophobicContact CB-CG 4.45Å; P220-F234 HydrophobicContact CB-CZ 3.55Å; P220-F234 HydrophobicContact CG-CD1 3.95Å; P220-F234 HydrophobicContact CG-CD2 3.61Å; P220-F234 HydrophobicContact CG-CE1 4.04Å; P220-F234 HydrophobicContact CG-CE2 3.72Å; P220-F234 HydrophobicContact CG-CG 3.75Å; P220-F234 HydrophobicContact CG-CZ 3.93Å; F234-K245 HydrophobicContact CE2-CD 4.48Å; F234-K245 HydrophobicContact CE2-CG 4.17Å; F234-K245 HydrophobicContact CZ-CG 4.1Å; F234-K245 WeakPolarHBondContact O-CE 3.27Å; F234-K245 PolarHBondContact O-NZ 2.88Å; F234-T246 HydrophobicContact CE2-CG2 3.97Å; F234-T246 HydrophobicContact CZ-CG2 3.87Å
235D96.7Very high94.8Very high41 Ų4167.7 Ų67.722%0.21936%0.357CS..EExtended strand (participates in β ladder)trans-116.3126171.9-69.4-37.2000110.6R228 R230R228-D235 HydrophobicContact CB-CB 4.28Å; R228-D235 IonicContact CZ-OD2 3.09Å; R228-D235 PolarHBondContact N-O 2.9Å; R228-D235 IonicContact NE-OD2 3.66Å; R228-D235 PolarHBondContact NE-OD2 3.47Å; R228-D235 IonicContact NH2-OD2 3.11Å; R228-D235 PolarHBondContact NH2-OD2 3Å; R228-D235 PolarHBondContact O-N 3.47Å; R230-D235 IonicContact CZ-OD2 3.29Å; R230-D235 IonicContact NE-OD2 2.74Å; R230-D235 PolarHBondContact NE-OD2 2.9Å; R230-D235 IonicContact NH2-OD2 3Å; R230-D235 PolarHBondContact NH2-OD2 3.47Å
236C97.3Very high94.8Very high21 Ų2168.6 Ų68.614%0.14236%0.361CS..EExtended strand (participates in β ladder)trans-94.6126.5172.6-61.60000111.6C221 C238 K245 C247C221-C236 WeakPolarHBondContact CA-SG 3.45Å; C221-C236 HydrophobicContact CB-CB 3.8Å; C221-C236 WeakPolarHBondContact CB-SG 3.01Å; C221-C236 WeakPolarHBondContact SG-CA 3.37Å; C221-C236 WeakPolarHBondContact SG-CB 3.35Å; C221-C236 CovalentContact SG-SG 2.02Å; C221-C236 PolarHBondContact SG-SG 3.21Å; C236-C238 PolarHBondContact O-N 2.88Å; C236-K245 WeakPolarHBondContact CB-O 3.35Å; C236-K245 PolarHBondContact SG-O 3.34Å; C236-C247 VanDerWaalsContact CB-SG 3.53Å
237L96.5Very high94.8Very high92 Ų9259.5 Ų59.548%0.48233%0.327SS..EExtended strand (participates in β ladder)trans-86.691.7173-62174.1000109.4A225 R226A225-L237 WeakPolarHBondContact CB-O 3.31Å; R226-L237 HydrophobicContact CB-CB 4.34Å; R226-L237 HydrophobicContact CB-CD1 4.28Å; R226-L237 HydrophobicContact CG-CD1 4.33Å; R226-L237 PolarHBondContact O-N 3.33Å
238C95.1Very high94.7Very high43 Ų4361.3 Ų61.329%0.29133%0.332SS..PPolyproline II helixtrans-70.7139.1-174.6-56.20000112.9C236 Y242 C247C236-C238 PolarHBondContact O-N 2.88Å; C238-Y242 WeakPolarHBondContact CB-O 3.26Å; C238-C247 WeakPolarHBondContact CA-SG 3.18Å; C238-C247 HydrophobicContact CB-CB 3.82Å; C238-C247 WeakPolarHBondContact CB-SG 3.27Å; C238-C247 WeakPolarHBondContact SG-CA 3.18Å; C238-C247 WeakPolarHBondContact SG-CB 3.31Å; C238-C247 CovalentContact SG-SG 2.04Å; C238-C247 PolarHBondContact SG-SG 3.27Å
239P92.4Very high94.5Very high53 Ų5360.4 Ų60.434%0.34434%0.335SS..PPolyproline II helixtrans-62.9158.5169.1-1728.9000111.8G241 Y242P239-G241 PolarHBondContact O-N 2.77Å; P239-Y242 HydrophobicContact CB-CD2 4.13Å; P239-Y242 PolarHBondContact O-N 3.11Å; P239-Y242 VanDerWaalsContact O-N 3.08Å
240S91Very high94.3Very high125 Ų12562.4 Ų62.487%0.87435%0.35SS*.THydrogen-bonded Turntrans-52.4133.9176.4-59.30000112
241G89.5Confident94Very high28 Ų2861 Ų6129%0.28935%0.35SS..THydrogen-bonded Turntrans84.37.1-176.600000114.6P239 V250 L251P239-G241 PolarHBondContact O-N 2.77Å; G241-V250 CarbonylContact O-C 3.56Å; G241-L251 PolarHBondContact O-N 2.99Å
242Y93Very high93.4Very high78 Ų7862.9 Ų62.931%0.30636%0.363SS..EExtended strand (participates in β ladder)trans-129.1152.5175.1-59.1-82.8000112.5R223 C238 P239 L249 V250 L251R223-Y242 VanDerWaalsContact CZ-CE1 3.44Å; R223-Y242 VanDerWaalsContact NE-CD1 3.32Å; R223-Y242 VanDerWaalsContact NE-CE1 3.3Å; C238-Y242 WeakPolarHBondContact CB-O 3.26Å; P239-Y242 HydrophobicContact CB-CD2 4.13Å; P239-Y242 PolarHBondContact O-N 3.11Å; P239-Y242 VanDerWaalsContact O-N 3.08Å; Y242-L249 CarbonylContact C-O 3.59Å; Y242-L249 WeakPolarHBondContact CA-O 3.47Å; Y242-V250 HydrophobicContact CD1-CG2 4.18Å; Y242-V250 HydrophobicContact CE1-CG2 3.88Å; Y242-L251 WeakPolarHBondContact O-CD1 3.29Å
243G91.3Very high92.4Very high10 Ų1063.2 Ų63.210%0.10337%0.372CS..EExtended strand (participates in β ladder)trans-155.8-174.8-179.800000112.7C247 E248 L249G243-C247 CarbonylContact O-C 3.38Å; G243-C247 VanDerWaalsContact O-CA 3.28Å; G243-C247 WeakPolarHBondContact O-CA 3.5Å; G243-E248 PolarHBondContact O-N 3.2Å; G243-L249 PolarHBondContact N-O 3.48Å; G243-L249 VanDerWaalsContact O-CB 3.29Å; G243-L249 WeakPolarHBondContact O-CB 3.35Å; G243-L249 PolarHBondContact O-N 3.1Å
244G93.3Very high91.1Very high38 Ų3865.7 Ų65.739%0.39239%0.392SS..SBendtrans97.5173.2-171.800000112.5T246G244-T246 VanDerWaalsContact C-N 3.29Å; G244-T246 PolarHBondContact O-N 2.81Å
245K94.7Very high89.3Confident90 Ų9071.8 Ų71.839%0.39142%0.421SS..SBendtrans-68.1-32.3-176.7-17862.2169.7-177.30111.5D233 F234 C236D233-K245 WeakPolarHBondContact OD1-CE 3.42Å; D233-K245 IonicContact OD1-NZ 3.38Å; D233-K245 PolarHBondContact OD1-NZ 3.5Å; D233-K245 IonicContact OD2-NZ 2.75Å; D233-K245 PolarHBondContact OD2-NZ 3.28Å; F234-K245 HydrophobicContact CE2-CD 4.48Å; F234-K245 HydrophobicContact CE2-CG 4.17Å; F234-K245 HydrophobicContact CZ-CG 4.1Å; F234-K245 WeakPolarHBondContact O-CE 3.27Å; F234-K245 PolarHBondContact O-NZ 2.88Å; C236-K245 WeakPolarHBondContact CB-O 3.35Å; C236-K245 PolarHBondContact SG-O 3.34Å
246T96.4Very high87.5Confident31 Ų3175.1 Ų75.119%0.1945%0.445CS..SBendtrans-114.311.5-179.361.50000113.6P220 Q222 F234 G244 E248P220-T246 VanDerWaalsContact O-CB 3.24Å; P220-T246 WeakPolarHBondContact O-CB 3.13Å; P220-T246 VanDerWaalsContact O-CG2 3.31Å; P220-T246 WeakPolarHBondContact O-CG2 3.3Å; Q222-T246 WeakPolarHBondContact CB-O 2.98Å; Q222-T246 PolarHBondContact N-O 2.92Å; F234-T246 HydrophobicContact CE2-CG2 3.97Å; F234-T246 HydrophobicContact CZ-CG2 3.87Å; G244-T246 VanDerWaalsContact C-N 3.29Å; G244-T246 PolarHBondContact O-N 2.81Å; T246-E248 VanDerWaalsContact C-N 3.27Å; T246-E248 WeakPolarHBondContact CA-OE2 3.06Å; T246-E248 WeakPolarHBondContact CB-OE2 3.34Å; T246-E248 PolarHBondContact N-OE2 3.33Å; T246-E248 PolarHBondContact O-N 2.84Å; T246-E248 VanDerWaalsContact OG1-CD 3.3Å; T246-E248 PolarHBondContact OG1-OE2 3.15Å
247C95.8Very high85.4Confident0 Ų079.7 Ų79.70%047%0.474CS..SBendtrans62.629.7-174.3-470000114.4R223 A225 C236 C238 G243R223-C247 WeakPolarHBondContact CD-O 3Å; R223-C247 PolarHBondContact NE-O 2.91Å; A225-C247 HydrophobicContact CB-CB 4.21Å; A225-C247 VanDerWaalsContact CB-SG 3.51Å; C236-C247 VanDerWaalsContact CB-SG 3.53Å; C238-C247 WeakPolarHBondContact CA-SG 3.18Å; C238-C247 HydrophobicContact CB-CB 3.82Å; C238-C247 WeakPolarHBondContact CB-SG 3.27Å; C238-C247 WeakPolarHBondContact SG-CA 3.18Å; C238-C247 WeakPolarHBondContact SG-CB 3.31Å; C238-C247 CovalentContact SG-SG 2.04Å; C238-C247 PolarHBondContact SG-SG 3.27Å; G243-C247 CarbonylContact O-C 3.38Å; G243-C247 VanDerWaalsContact O-CA 3.28Å; G243-C247 WeakPolarHBondContact O-CA 3.5Å
248E94.9Very high82.8Confident72 Ų7281.6 Ų81.634%0.33649%0.49SS..  trans-74.7-31.6-179.567.5-78-173.800112.6R223 G243 T246R223-E248 PolarHBondContact NH2-O 3.47Å; G243-E248 PolarHBondContact O-N 3.2Å; T246-E248 VanDerWaalsContact C-N 3.27Å; T246-E248 WeakPolarHBondContact CA-OE2 3.06Å; T246-E248 WeakPolarHBondContact CB-OE2 3.34Å; T246-E248 PolarHBondContact N-OE2 3.33Å; T246-E248 PolarHBondContact O-N 2.84Å; T246-E248 VanDerWaalsContact OG1-CD 3.3Å; T246-E248 PolarHBondContact OG1-OE2 3.15Å
249L93.4Very high80.5Confident95 Ų9586.1 Ų86.150%0.49752%0.516SS..EExtended strand (participates in β ladder)trans-82136-175.4-54174.3000110.7Y242 G243Y242-L249 CarbonylContact C-O 3.59Å; Y242-L249 WeakPolarHBondContact CA-O 3.47Å; G243-L249 PolarHBondContact N-O 3.48Å; G243-L249 VanDerWaalsContact O-CB 3.29Å; G243-L249 WeakPolarHBondContact O-CB 3.35Å; G243-L249 PolarHBondContact O-N 3.1Å
250V91.3Very high78.4Confident101 Ų10190.1 Ų90.161%0.61254%0.54SS*.EExtended strand (participates in β ladder)trans-88.3116.8166.3-174.30000107.4G241 Y242G241-V250 CarbonylContact O-C 3.56Å; Y242-V250 HydrophobicContact CD1-CG2 4.18Å; Y242-V250 HydrophobicContact CE1-CG2 3.88Å
251L88.6Confident76.2Confident82 Ų8291 Ų9143%0.42953%0.534SS..PPolyproline II helixtrans-80.4134.5175.2-62177.6000109.1G241 Y242 V253G241-L251 PolarHBondContact O-N 2.99Å; Y242-L251 WeakPolarHBondContact O-CD1 3.29Å; L251-V253 PolarHBondContact O-N 3.22Å
252P83.5Confident74Confident116 Ų11695.9 Ų95.975%0.75356%0.559SS**PPolyproline II helixtrans-60.9125.4174.522.7-29.3000109.1P254P252-P254 WeakPolarHBondContact O-CD 3.16Å
253V73.7Confident72.1Confident109 Ų10997.7 Ų97.766%0.66158%0.58SS**PPolyproline II helixtrans-59.8122.5172.5-176.50000107L251 H255L251-V253 PolarHBondContact O-N 3.22Å; V253-H255 PolarHBondContact O-N 3.12Å
254P67.4Low70.1Confident118 Ų118105.8 Ų105.877%0.76662%0.62SS**  trans-62.6110.6167.9-1326.9000106.5P252P252-P254 WeakPolarHBondContact O-CD 3.16Å
255H58.7Low67.4Low165 Ų165107.3 Ų107.376%0.76464%0.636SS**PPolyproline II helixtrans-57.7135.9165.8-66.882.4000106.9V253V253-H255 PolarHBondContact O-N 3.12Å
256P59.6Low65.3Low110 Ų110109 Ų10971%0.71466%0.656SS**PPolyproline II helixtrans-56.7133.5175.323-30.9000108.3T258P256-T258 PolarHBondContact O-N 3.13Å
257P52.3Low63.3Low118 Ų118113.9 Ų113.977%0.76669%0.686SS**PPolyproline II helixtrans-60.9116.8174.124.3-30.7000107.5T259P257-T259 PolarHBondContact O-N 2.95Å; P257-T259 VanDerWaalsContact O-N 3.1Å
258T43.5Very low60.9Low131 Ų131119.4 Ų119.480%0.80473%0.725SS**  trans-59.7114.3166.440.70000107.6P256 V260P256-T258 PolarHBondContact O-N 3.13Å; T258-V260 PolarHBondContact O-N 2.03Å; T258-V260 VanDerWaalsContact O-N 3.13Å
259T45.8Very low58.7Low138 Ų138120.8 Ų120.885%0.84775%0.749SS**  trans-64.1105.7172.547.70000109P257P257-T259 PolarHBondContact O-N 2.95Å; P257-T259 VanDerWaalsContact O-N 3.1Å
260V48.1Very low56.2Low138 Ų138122.1 Ų122.184%0.83676%0.76SS**  trans-101.4129.4153.6176.20000106.5T258T258-V260 PolarHBondContact O-N 2.03Å; T258-V260 VanDerWaalsContact O-N 3.13Å
261D46.4Very low54.3Low142 Ų142123.7 Ų123.776%0.75977%0.77SS**  trans-55.5165.7-174.2-80.7-53.8000115.5
262T41.9Very low52.1Low131 Ų131125.4 Ų125.480%0.80478%0.784SS**  trans90.4145.3154.113.60000119.1
263P52.8Low50.1Low116 Ų116124.8 Ų124.875%0.75378%0.779SS**  -129.1176.5-64.537.6-22.1000113.5
264L49.5Very low48.4Very low180 Ų180124.7 Ų124.794%0.94279%0.79SS**  trans-49141.6179.5-83.778.6000117
265G37.6Very low47Very low71 Ų71125.2 Ų125.273%0.73279%0.791SS**  trans139.2156133.400000115.5
266P50.7Low46Very low125 Ų125120.7 Ų120.781%0.81279%0.79SS**  cis-119.8166.7-31.134.1-17.8000112.6
267T53.6Low45Very low134 Ų134121.6 Ų121.682%0.82280%0.795SS**  trans-44.7137173.849.90000115
268S44.9Very low44.4Very low116 Ų116119.7 Ų119.781%0.81179%0.789SS**  trans-142.6112.4146.7-83.10000109.4V270S268-V270 PolarHBondContact O-N 3.26Å
269A49.9Very low44.2Very low101 Ų101119.4 Ų119.484%0.83579%0.79SS**  trans-68.2121170.800000108.8
270V41.2Very low43.7Very low122 Ų122121.5 Ų121.574%0.73979%0.79SS**  trans-113.9107.6165.2-178.50000107S268 V272S268-V270 PolarHBondContact O-N 3.26Å; V270-V272 HydrophobicContact CG1-CG2 3.9Å
271V49.7Very low43Very low134 Ų134120.7 Ų120.781%0.81279%0.79SS**  trans-72.4124.5165.9174.30000107.1
272V42.5Very low42.3Very low119 Ų119119 Ų11972%0.72180%0.796SS**  trans-123.6134.1166-1770000108.7V270V270-V272 HydrophobicContact CG1-CG2 3.9Å
273P42.4Very low41.9Very low102 Ų102116.6 Ų116.666%0.66280%0.797SS**  trans-81.9146.8-171.90.918.2000112T275P273-T275 PolarHBondContact O-N 3.37Å
274A37.5Very low41.1Very low107 Ų107116 Ų11688%0.88480%0.802SS**  trans-73.8100.1166.300000110
275T38Very low40.8Very low129 Ų129111.1 Ų111.179%0.79180%0.795SS**  trans-98.595.5161.947.80000108.8P273P273-T275 PolarHBondContact O-N 3.37Å
276G38.6Very low41.2Very low71 Ų71115.7 Ų115.773%0.73280%0.802SS**PPolyproline II helixtrans-86.3134.5162.800000110
277P38Very low40.9Very low128 Ų128117.6 Ų117.683%0.83180%0.804SS**PPolyproline II helixtrans-83.1122.7167.222-13.2000110.5
278A40.8Very low40.3Very low78 Ų78122.9 Ų122.965%0.64581%0.809SS**PPolyproline II helixtrans-79.5144.2161.200000110
279P37.8Very low40.6Very low126 Ų126123.5 Ų123.582%0.81880%0.802SS**  trans-93.3115.8155.115.51.1000109.9
280H35.1Very low40.1Very low181 Ų181122.5 Ų122.584%0.83879%0.789SS**  trans-73.3133.8156.5-74.7-100.4000109.3
281S33.3Very low40.5Very low121 Ų121122.1 Ų122.185%0.84679%0.787SS**  -168.8112.7110.266.50000110.3
282A32.6Very low40.3Very low107 Ų107124.5 Ų124.588%0.88479%0.786SS**  trans-96.9111.4163.500000106.8
283G34Very low40.4Very low81 Ų81124.9 Ų124.984%0.83578%0.78SS**  trans-114.593.3165.700000108.5
284A35Very low40.5Very low103 Ų103124.6 Ų124.685%0.85178%0.776SS**  trans-135.295.5168.500000108.5
285G43.7Very low40.8Very low77 Ų77125.6 Ų125.679%0.79477%0.771SS**  trans-127.369.4164.300000108.6
286L46.6Very low41Very low168 Ų168129.8 Ų129.888%0.8877%0.772SS**SBendtrans-144.2127.6164.3-107.5127.3000108.4R288L286-R288 PolarHBondContact O-N 3.45Å
287L44.3Very low41.4Very low164 Ų164136.6 Ų136.686%0.85978%0.776SS**  trans-46.3118.4-171.3-89.378.8000112.3I289L287-I289 PolarHBondContact O-N 3Å
288R41.2Very low41.5Very low245 Ų245139.5 Ų139.593%0.92578%0.778SS**  trans-77.5101.3162.9-76.3-177.4171.9169.7-1.9108.8L286 S290L286-R288 PolarHBondContact O-N 3.45Å; R288-S290 PolarHBondContact O-N 3.33Å
289I49.5Very low41.9Very low129 Ų129145.3 Ų145.366%0.66279%0.793SS**  trans-84.1107.1159.1-59.2175000106.4L287 V294L287-I289 PolarHBondContact O-N 3Å; I289-V294 HydrophobicContact CG2-CG2 4.25Å
290S39.8Very low42.2Very low80 Ų80144.3 Ų144.356%0.55979%0.794SS**  trans-74.5130175-177.50000109.8R288 K292 E293R288-S290 PolarHBondContact O-N 3.33Å; S290-K292 PolarHBondContact O-N 3.49Å; S290-E293 PolarHBondContact O-N 3.48Å
291V50.6Low42.8Very low115 Ų115139 Ų13970%0.69779%0.789SS**THydrogen-bonded Turntrans-63.2-5.4179.11770000113E293V291-E293 VanDerWaalsContact C-N 3.27Å; V291-E293 PolarHBondContact O-N 3.46Å
292K44.6Very low43.5Very low183 Ų183139.6 Ų139.680%0.79678%0.782SS**THydrogen-bonded Turntrans-74.8-10.9167.3-106179.7176.1179.10114.6S290S290-K292 PolarHBondContact O-N 3.49Å
293E45.1Very low44.5Very low127 Ų127136.7 Ų136.759%0.59376%0.762SS**THydrogen-bonded Turntrans-101.6-10.7178.3-156.262.3-151.400113.3S290 V291S290-E293 PolarHBondContact O-N 3.48Å; V291-E293 VanDerWaalsContact C-N 3.27Å; V291-E293 PolarHBondContact O-N 3.46Å
294V44.2Very low45.8Very low96 Ų96141.2 Ų141.258%0.58276%0.762SS**THydrogen-bonded Turntrans-92.9-17.3179.9-1780000112.7I289I289-V294 HydrophobicContact CG2-CG2 4.25Å
295V44.3Very low46.8Very low128 Ų128141.3 Ų141.378%0.77675%0.754SS**THydrogen-bonded Turntrans-94.67.1173.2-174.90000112.3
296R42.4Very low47.6Very low217 Ų217139.9 Ų139.982%0.81973%0.731SS**THydrogen-bonded Turntrans-11322.5172.4-87.9-110-163.2168.14.3113.1
297R45.8Very low48.5Very low214 Ų214138 Ų13881%0.80872%0.721SS**SBendtrans-138.135.8175.8-78.9-160.9-178.6-140.23.2114.7
298Q41.9Very low49.8Very low189 Ų189134.5 Ų134.588%0.88371%0.707SS**SBendtrans-131.411.6166.5-91.8-100-54.700113.5
299E47.3Very low51.2Low201 Ų201124.8 Ų124.894%0.93968%0.679SS**  trans-114.466.6168.1-72.3-171.4155.700110.1
300A44.5Very low52.5Low104 Ų104124 Ų12486%0.8668%0.676SS**SBendtrans-151.184.2163.800000107.3
301G48.8Very low54.5Low70 Ų70125 Ų12572%0.72268%0.678SS**  trans166.215.5177.600000119.4
302L48.1Very low56Low134 Ų134123 Ų12370%0.70267%0.666SS**  trans-114.293.2153.8-87.789000107
303G53.1Low57.7Low45 Ų45121 Ų12146%0.46466%0.657SS.*  trans-54.5149.9171.400000110.1P305 S306G303-P305 VanDerWaalsContact O-CD 3.29Å; G303-P305 WeakPolarHBondContact O-CD 3.05Å; G303-S306 WeakPolarHBondContact O-CB 3.1Å; G303-S306 PolarHBondContact O-N 3.39Å
304E60.5Low59.6Low177 Ų177116.6 Ų116.683%0.82765%0.646SS**Hα-helixtrans-41.8-28.1173.3-72.3-174.5111.600116.3S306E304-S306 VanDerWaalsContact C-N 3.25Å; E304-S306 PolarHBondContact O-N 3.29Å
305P57.3Low61.6Low105 Ų105115 Ų11568%0.68264%0.643SS**Hα-helixtrans-63.6-22.8170.922.7-36.6000115.4G303 A309G303-P305 VanDerWaalsContact O-CD 3.29Å; G303-P305 WeakPolarHBondContact O-CD 3.05Å; P305-A309 WeakPolarHBondContact O-CB 2.99Å; P305-A309 PolarHBondContact O-N 2.88Å
306S60.2Low63.7Low47 Ų47113.9 Ų113.933%0.32963%0.632SS.*Hα-helixtrans-83-29.3-173.3-1550000113.3G303 E304 L310G303-S306 WeakPolarHBondContact O-CB 3.1Å; G303-S306 PolarHBondContact O-N 3.39Å; E304-S306 VanDerWaalsContact C-N 3.25Å; E304-S306 PolarHBondContact O-N 3.29Å; S306-L310 WeakPolarHBondContact O-CG 3.48Å; S306-L310 PolarHBondContact O-N 3.2Å; S306-L310 VanDerWaalsContact O-N 3.13Å
307L64.6Low65.8Low128 Ų128107.7 Ų107.767%0.6762%0.619SS**Hα-helixtrans-73.1-41.9173.3-162.690.8000110.4A309 L310 V311L307-A309 VanDerWaalsContact C-N 3.32Å; L307-A309 PolarHBondContact O-N 2.03Å; L307-L310 PolarHBondContact O-N 3.17Å; L307-V311 WeakPolarHBondContact O-CG2 3.27Å; L307-V311 PolarHBondContact O-N 2.97Å
308V71.5Confident67.8Low91 Ų91100.4 Ų100.455%0.55260%0.604SS**Hα-helixtrans-61.9-42.2174.7179.50000110.3V311 V312V308-V311 PolarHBondContact O-N 2.8Å; V308-V312 HydrophobicContact CG1-CG2 4.16Å; V308-V312 WeakPolarHBondContact O-CB 3.46Å; V308-V312 WeakPolarHBondContact O-CG2 3.48Å; V308-V312 PolarHBondContact O-N 2.79Å
309A71.8Confident70.2Confident41 Ų4194.2 Ų94.234%0.33959%0.585SS.*Hα-helixtrans-59.6-47.1174.300000112.2P305 L307 V311 V312 F313P305-A309 WeakPolarHBondContact O-CB 2.99Å; P305-A309 PolarHBondContact O-N 2.88Å; L307-A309 VanDerWaalsContact C-N 3.32Å; L307-A309 PolarHBondContact O-N 2.03Å; A309-V311 PolarHBondContact O-N 2.76Å; A309-V312 PolarHBondContact O-N 3.28Å; A309-F313 HydrophobicContact CB-CD2 4.49Å; A309-F313 WeakPolarHBondContact O-CB 3.4Å; A309-F313 WeakPolarHBondContact O-CD2 3.05Å; A309-F313 PolarHBondContact O-N 3.29Å
310L76.7Confident72.3Confident113 Ų11390.6 Ų90.659%0.59257%0.572SS**Hα-helixtrans-63.2-39.6178.8-73169.2000112.8S306 L307 G314S306-L310 WeakPolarHBondContact O-CG 3.48Å; S306-L310 PolarHBondContact O-N 3.2Å; S306-L310 VanDerWaalsContact O-N 3.13Å; L307-L310 PolarHBondContact O-N 3.17Å; L310-G314 PolarHBondContact O-N 3.49Å
311V81.2Confident74.5Confident99 Ų9990 Ų9060%0.656%0.557SS**Hα-helixtrans-68.2-40.7176.3174.90000111L307 V308 A309 G314 A315L307-V311 WeakPolarHBondContact O-CG2 3.27Å; L307-V311 PolarHBondContact O-N 2.97Å; V308-V311 PolarHBondContact O-N 2.8Å; A309-V311 PolarHBondContact O-N 2.76Å; V311-G314 PolarHBondContact O-N 3.33Å; V311-A315 WeakPolarHBondContact O-CB 3.45Å; V311-A315 PolarHBondContact O-N 3.17Å
312V82.4Confident76.5Confident74 Ų7491.8 Ų91.845%0.44855%0.549SS..Hα-helixtrans-67.8-43.9177.1171.90000111.3V308 A309 G314 A315 L316V308-V312 HydrophobicContact CG1-CG2 4.16Å; V308-V312 WeakPolarHBondContact O-CB 3.46Å; V308-V312 WeakPolarHBondContact O-CG2 3.48Å; V308-V312 PolarHBondContact O-N 2.79Å; A309-V312 PolarHBondContact O-N 3.28Å; V312-G314 VanDerWaalsContact C-N 3.35Å; V312-A315 PolarHBondContact O-N 2.97Å; V312-L316 HydrophobicContact CG1-CD1 3.9Å; V312-L316 HydrophobicContact CG1-CG 4.43Å; V312-L316 WeakPolarHBondContact O-CB 3.1Å; V312-L316 VanDerWaalsContact O-CG 3.27Å; V312-L316 WeakPolarHBondContact O-CG 2.99Å; V312-L316 PolarHBondContact O-N 3.13Å
313F79.2Confident78.5Confident140 Ų14087.6 Ų87.661%0.61453%0.534SS*.Hα-helixtrans-64.7-38.3174.3-87.3-74.6000111.9A309 L316 T317A309-F313 HydrophobicContact CB-CD2 4.49Å; A309-F313 WeakPolarHBondContact O-CB 3.4Å; A309-F313 WeakPolarHBondContact O-CD2 3.05Å; A309-F313 PolarHBondContact O-N 3.29Å; F313-L316 PolarHBondContact O-N 3.34Å; F313-T317 WeakPolarHBondContact O-CB 3.44Å; F313-T317 VanDerWaalsContact O-CG2 3.3Å; F313-T317 WeakPolarHBondContact O-CG2 3.43Å; F313-T317 PolarHBondContact O-N 3.49Å; F313-T317 PolarHBondContact O-OG1 2.85Å
314G85.4Confident80Confident36 Ų3688.9 Ų88.937%0.37153%0.533SS..Hα-helixtrans-63.4-43.317300000112.6L310 V311 V312 T317 A318L310-G314 PolarHBondContact O-N 3.49Å; V311-G314 PolarHBondContact O-N 3.33Å; V312-G314 VanDerWaalsContact C-N 3.35Å; G314-T317 WeakPolarHBondContact CA-OG1 3.36Å; G314-T317 PolarHBondContact O-OG1 2.99Å; G314-A318 WeakPolarHBondContact O-CB 3.29Å; G314-A318 PolarHBondContact O-N 3.33Å
315A86.1Confident81.2Confident61 Ų6183.6 Ų83.650%0.50451%0.513SS..Hα-helixtrans-67.4-39.517700000112.4V311 V312 A318 A319V311-A315 WeakPolarHBondContact O-CB 3.45Å; V311-A315 PolarHBondContact O-N 3.17Å; V312-A315 PolarHBondContact O-N 2.97Å; A315-A318 PolarHBondContact O-N 2.03Å; A315-A319 WeakPolarHBondContact O-CB 3.34Å; A315-A319 PolarHBondContact O-N 3.27Å
316L88.2Confident82.6Confident106 Ų10682.4 Ų82.456%0.55550%0.501SS*.Hα-helixtrans-66.2-41.9176.8-75.6169.2000112.1V312 F313 A319 L320V312-L316 HydrophobicContact CG1-CD1 3.9Å; V312-L316 HydrophobicContact CG1-CG 4.43Å; V312-L316 WeakPolarHBondContact O-CB 3.1Å; V312-L316 VanDerWaalsContact O-CG 3.27Å; V312-L316 WeakPolarHBondContact O-CG 2.99Å; V312-L316 PolarHBondContact O-N 3.13Å; F313-L316 PolarHBondContact O-N 3.34Å; L316-A319 PolarHBondContact O-N 3.11Å; L316-L320 WeakPolarHBondContact O-CB 3.49Å; L316-L320 PolarHBondContact O-N 3.33Å
317T86.4Confident83.7Confident87 Ų8785.5 Ų85.553%0.53451%0.513SS..Hα-helixtrans-66.4-42.4176.6510000111.4F313 G314 A319 L320 V321F313-T317 WeakPolarHBondContact O-CB 3.44Å; F313-T317 VanDerWaalsContact O-CG2 3.3Å; F313-T317 WeakPolarHBondContact O-CG2 3.43Å; F313-T317 PolarHBondContact O-N 3.49Å; F313-T317 PolarHBondContact O-OG1 2.85Å; G314-T317 WeakPolarHBondContact CA-OG1 3.36Å; G314-T317 PolarHBondContact O-OG1 2.99Å; T317-A319 PolarHBondContact O-N 3.07Å; T317-L320 PolarHBondContact O-N 2.79Å; T317-V321 WeakPolarHBondContact O-CG2 3.38Å; T317-V321 PolarHBondContact O-N 2.77Å
318A89.3Confident84.1Confident61 Ų6183.7 Ų83.750%0.50451%0.507SS..Hα-helixtrans-61.8-41.5174.600000112.6G314 A315 V321 L322G314-A318 WeakPolarHBondContact O-CB 3.29Å; G314-A318 PolarHBondContact O-N 3.33Å; A315-A318 PolarHBondContact O-N 2.03Å; A318-V321 PolarHBondContact O-N 2.05Å; A318-L322 WeakPolarHBondContact O-CB 3.22Å; A318-L322 PolarHBondContact O-N 2.87Å
319A91.4Very high84.2Confident59 Ų5983.6 Ų83.649%0.48850%0.503SS..Hα-helixtrans-65.3-38.9176.300000112.4A315 L316 T317 L322 A323A315-A319 WeakPolarHBondContact O-CB 3.34Å; A315-A319 PolarHBondContact O-N 3.27Å; L316-A319 PolarHBondContact O-N 3.11Å; T317-A319 PolarHBondContact O-N 3.07Å; A319-L322 PolarHBondContact O-N 3.01Å; A319-A323 WeakPolarHBondContact O-CB 3.21Å; A319-A323 PolarHBondContact O-N 3.43Å
320L92Very high84.5Confident125 Ų12589 Ų8965%0.65451%0.514SS*.Hα-helixtrans-65.8-43.4177.4-154.583.3000111.4L316 T317 A323 T324L316-L320 WeakPolarHBondContact O-CB 3.49Å; L316-L320 PolarHBondContact O-N 3.33Å; T317-L320 PolarHBondContact O-N 2.79Å; L320-A323 PolarHBondContact O-N 3.48Å; L320-T324 WeakPolarHBondContact O-CG2 3.36Å; L320-T324 PolarHBondContact O-N 2.94Å; L320-T324 PolarHBondContact O-OG1 3.14Å
321V90.1Very high84Confident90 Ų9085.9 Ų85.955%0.54551%0.505SS..Hα-helixtrans-64.8-41.6176.31740000111.1T317 A318 A323 T324 V325T317-V321 WeakPolarHBondContact O-CG2 3.38Å; T317-V321 PolarHBondContact O-N 2.77Å; A318-V321 PolarHBondContact O-N 2.05Å; V321-A323 VanDerWaalsContact C-N 3.33Å; V321-A323 PolarHBondContact O-N 2.81Å; V321-T324 WeakPolarHBondContact CA-OG1 3.37Å; V321-T324 PolarHBondContact O-N 3.05Å; V321-T324 PolarHBondContact O-OG1 3.38Å; V321-V325 HydrophobicContact CG1-CG2 4.49Å; V321-V325 WeakPolarHBondContact O-CB 3.32Å; V321-V325 VanDerWaalsContact O-CG2 3.26Å; V321-V325 WeakPolarHBondContact O-CG2 3.08Å; V321-V325 PolarHBondContact O-N 3.09Å
322L91.3Very high83.1Confident108 Ų10891 Ų9157%0.56551%0.514SS*.Hα-helixtrans-64.9-39.6176.2-171.865.5000111.4A318 A319 V325 L326A318-L322 WeakPolarHBondContact O-CB 3.22Å; A318-L322 PolarHBondContact O-N 2.87Å; A319-L322 PolarHBondContact O-N 3.01Å; L322-V325 PolarHBondContact O-N 2.02Å; L322-L326 HydrophobicContact CG-CD1 4.11Å; L322-L326 WeakPolarHBondContact O-CB 3.01Å; L322-L326 VanDerWaalsContact O-CG 3.23Å; L322-L326 WeakPolarHBondContact O-CG 3.16Å; L322-L326 PolarHBondContact O-N 2.91Å
323A90.9Very high82.3Confident46 Ų4698.1 Ų98.138%0.3853%0.533SS..Hα-helixtrans-64.8-43.3176.400000112.1A319 L320 V321 L326 L327A319-A323 WeakPolarHBondContact O-CB 3.21Å; A319-A323 PolarHBondContact O-N 3.43Å; L320-A323 PolarHBondContact O-N 3.48Å; V321-A323 VanDerWaalsContact C-N 3.33Å; V321-A323 PolarHBondContact O-N 2.81Å; A323-L326 PolarHBondContact O-N 3.17Å; A323-L327 WeakPolarHBondContact O-CB 3.02Å; A323-L327 WeakPolarHBondContact O-CG 3.28Å; A323-L327 PolarHBondContact O-N 3.19Å
324T84.1Confident81.5Confident72 Ų72101 Ų10144%0.44254%0.539SS..Hα-helixtrans-64.8-41.717755.50000111.4L320 V321 L327 T328L320-T324 WeakPolarHBondContact O-CG2 3.36Å; L320-T324 PolarHBondContact O-N 2.94Å; L320-T324 PolarHBondContact O-OG1 3.14Å; V321-T324 WeakPolarHBondContact CA-OG1 3.37Å; V321-T324 PolarHBondContact O-N 3.05Å; V321-T324 PolarHBondContact O-OG1 3.38Å; T324-L327 PolarHBondContact O-N 2.68Å; T324-T328 WeakPolarHBondContact O-CG2 3.32Å; T324-T328 PolarHBondContact O-N 2.8Å; T324-T328 PolarHBondContact O-OG1 3.06Å
325V85.9Confident80Confident67 Ų67102.4 Ų102.441%0.40655%0.554SS.*Hα-helixtrans-63.7-41.5175172.40000111.8V321 L322 L327 T328 L329V321-V325 HydrophobicContact CG1-CG2 4.49Å; V321-V325 WeakPolarHBondContact O-CB 3.32Å; V321-V325 VanDerWaalsContact O-CG2 3.26Å; V321-V325 WeakPolarHBondContact O-CG2 3.08Å; V321-V325 PolarHBondContact O-N 3.09Å; L322-V325 PolarHBondContact O-N 2.02Å; V325-L327 VanDerWaalsContact C-N 3.34Å; V325-L327 PolarHBondContact O-N 2.82Å; V325-T328 WeakPolarHBondContact CA-OG1 3.05Å; V325-T328 PolarHBondContact O-N 3.36Å; V325-T328 PolarHBondContact O-OG1 3.44Å; V325-L329 HydrophobicContact CG1-CD1 3.85Å; V325-L329 HydrophobicContact CG1-CG 4.39Å; V325-L329 VanDerWaalsContact O-CB 3.31Å; V325-L329 WeakPolarHBondContact O-CB 3.48Å; V325-L329 WeakPolarHBondContact O-CG 3.08Å; V325-L329 PolarHBondContact O-N 3.25Å
326L86.8Confident78.3Confident80 Ų80104.6 Ų104.642%0.41956%0.561SS.*Hα-helixtrans-69-33.4176.6-71.7173000112.3L322 A323 R330L322-L326 HydrophobicContact CG-CD1 4.11Å; L322-L326 WeakPolarHBondContact O-CB 3.01Å; L322-L326 VanDerWaalsContact O-CG 3.23Å; L322-L326 WeakPolarHBondContact O-CG 3.16Å; L322-L326 PolarHBondContact O-N 2.91Å; A323-L326 PolarHBondContact O-N 3.17Å; L326-R330 VanDerWaalsContact O-CB 3.26Å; L326-R330 WeakPolarHBondContact O-CB 3.34Å; L326-R330 WeakPolarHBondContact O-CG 3.28Å; L326-R330 PolarHBondContact O-N 3.36Å
327L82.1Confident76.2Confident112 Ų112104.9 Ų104.959%0.58657%0.571SS**Hα-helixtrans-70.8-41.1175-73170.9000111.8A323 T324 V325 R330 A331A323-L327 WeakPolarHBondContact O-CB 3.02Å; A323-L327 WeakPolarHBondContact O-CG 3.28Å; A323-L327 PolarHBondContact O-N 3.19Å; T324-L327 PolarHBondContact O-N 2.68Å; V325-L327 VanDerWaalsContact C-N 3.34Å; V325-L327 PolarHBondContact O-N 2.82Å; L327-R330 PolarHBondContact O-N 2.85Å; L327-A331 VanDerWaalsContact O-CB 3.31Å; L327-A331 WeakPolarHBondContact O-CB 3.44Å; L327-A331 PolarHBondContact O-N 2.79Å
328T73.8Confident74.2Confident90 Ų90106.3 Ų106.355%0.55258%0.581SS**Hα-helixtrans-66-41.2174.255.90000111.1T324 V325 R330 A331 W332T324-T328 WeakPolarHBondContact O-CG2 3.32Å; T324-T328 PolarHBondContact O-N 2.8Å; T324-T328 PolarHBondContact O-OG1 3.06Å; V325-T328 WeakPolarHBondContact CA-OG1 3.05Å; V325-T328 PolarHBondContact O-N 3.36Å; V325-T328 PolarHBondContact O-OG1 3.44Å; T328-R330 PolarHBondContact O-N 3.31Å; T328-A331 PolarHBondContact O-N 3.12Å; T328-W332 VanDerWaalsContact O-CB 3.27Å; T328-W332 WeakPolarHBondContact O-CB 3.38Å; T328-W332 PolarHBondContact O-N 3.39Å
329L72.7Confident71.9Confident88 Ų88110 Ų11046%0.46160%0.6SS.*Hα-helixtrans-66-35.6174.3-71.7171.3000112.8V325 R333V325-L329 HydrophobicContact CG1-CD1 3.85Å; V325-L329 HydrophobicContact CG1-CG 4.39Å; V325-L329 VanDerWaalsContact O-CB 3.31Å; V325-L329 WeakPolarHBondContact O-CB 3.48Å; V325-L329 WeakPolarHBondContact O-CG 3.08Å; V325-L329 PolarHBondContact O-N 3.25Å; L329-R333 WeakPolarHBondContact O-CB 3.41Å; L329-R333 WeakPolarHBondContact O-CG 2.79Å; L329-R333 PolarHBondContact O-N 2.97Å
330R77.9Confident69.4Low154 Ų154110.3 Ų110.358%0.58161%0.609SS**Hα-helixtrans-71.5-37.8173.6-78.4175.8-178.5-175.12.4112.2L326 L327 T328 W332 R333 R334L326-R330 VanDerWaalsContact O-CB 3.26Å; L326-R330 WeakPolarHBondContact O-CB 3.34Å; L326-R330 WeakPolarHBondContact O-CG 3.28Å; L326-R330 PolarHBondContact O-N 3.36Å; L327-R330 PolarHBondContact O-N 2.85Å; T328-R330 PolarHBondContact O-N 3.31Å; R330-W332 VanDerWaalsContact C-N 3.34Å; R330-R333 PolarHBondContact O-N 3.28Å; R330-R334 WeakPolarHBondContact O-CB 2.97Å; R330-R334 WeakPolarHBondContact O-CG 3.19Å; R330-R334 PolarHBondContact O-N 2.96Å
331A67.1Low66.9Low48 Ų48110.5 Ų110.540%0.39762%0.618SS.*Hα-helixtrans-65-40.9173.500000110.9L327 T328 R334 G335 V336L327-A331 VanDerWaalsContact O-CB 3.31Å; L327-A331 WeakPolarHBondContact O-CB 3.44Å; L327-A331 PolarHBondContact O-N 2.79Å; T328-A331 PolarHBondContact O-N 3.12Å; A331-R334 PolarHBondContact O-N 2.01Å; A331-G335 PolarHBondContact O-N 3.06Å; A331-V336 PolarHBondContact O-N 3.19Å
332W62.8Low64Low208 Ų208112.3 Ų112.379%0.78863%0.633SS**Hα-helixtrans-65.4-45.3174.5-165.174.1000112.1T328 R330 R334 G335T328-W332 VanDerWaalsContact O-CB 3.27Å; T328-W332 WeakPolarHBondContact O-CB 3.38Å; T328-W332 PolarHBondContact O-N 3.39Å; R330-W332 VanDerWaalsContact C-N 3.34Å; W332-R334 PolarHBondContact O-N 2.92Å; W332-G335 PolarHBondContact O-N 3.1Å
333R64.6Low61.1Low223 Ų223113.3 Ų113.384%0.84265%0.647SS**Hα-helixtrans-65-23.5173.8-82-167.3-173.4-154.32.9114.2L329 R330L329-R333 WeakPolarHBondContact O-CB 3.41Å; L329-R333 WeakPolarHBondContact O-CG 2.79Å; L329-R333 PolarHBondContact O-N 2.97Å; R330-R333 PolarHBondContact O-N 3.28Å
334R62.2Low58.2Low200 Ų200122 Ų12276%0.75567%0.672SS**THydrogen-bonded Turntrans-91.53.4177.3-74.6-179.5176.8167-1.7113.4R330 A331 W332 V336R330-R334 WeakPolarHBondContact O-CB 2.97Å; R330-R334 WeakPolarHBondContact O-CG 3.19Å; R330-R334 PolarHBondContact O-N 2.96Å; A331-R334 PolarHBondContact O-N 2.01Å; W332-R334 PolarHBondContact O-N 2.92Å; R334-V336 HydrophobicContact CB-CG2 4.11Å; R334-V336 WeakPolarHBondContact O-CG2 3.42Å; R334-V336 PolarHBondContact O-N 3.27Å; R334-V336 VanDerWaalsContact O-N 3.17Å
335G55.1Low56Low65 Ų65124.2 Ų124.267%0.6769%0.688SS**THydrogen-bonded Turntrans59.927.2173.900000114A331 W332 C337A331-G335 PolarHBondContact O-N 3.06Å; W332-G335 PolarHBondContact O-N 3.1Å; G335-C337 PolarHBondContact O-N 3.18Å
336V50.6Low53.2Low107 Ų107125.6 Ų125.665%0.64871%0.706SS**  trans-91.692.5-179-173.70000108.6A331 R334A331-V336 PolarHBondContact O-N 3.19Å; R334-V336 HydrophobicContact CB-CG2 4.11Å; R334-V336 WeakPolarHBondContact O-CG2 3.42Å; R334-V336 PolarHBondContact O-N 3.27Å; R334-V336 VanDerWaalsContact O-N 3.17Å
337C43.8Very low51Low113 Ų113127.4 Ų127.476%0.76472%0.723SS**PPolyproline II helixtrans-69.6138.9164.1-73.80000109.7G335G335-C337 PolarHBondContact O-N 3.18Å
338P43.4Very low48.8Very low116 Ų116130.7 Ų130.775%0.75374%0.735SS**PPolyproline II helixtrans-65.7149.1172.627.9-32.2000110.6G340P338-G340 PolarHBondContact O-N 3.17Å
339P41.1Very low46.7Very low139 Ų139137.3 Ų137.390%0.90375%0.751SS**PPolyproline II helixtrans-77.8118.9179.331.5-30000109.6
340G39.4Very low44.9Very low65 Ų65137.6 Ų137.667%0.6777%0.766SS**  trans-153.4147.2172.400000110.2P338P338-G340 PolarHBondContact O-N 3.17Å
341P39Very low42.7Very low130 Ų130136.2 Ų136.284%0.84478%0.777SS**  trans-86.5144.9-138.632.1-34.9000115.4
342C29.6Very low40.8Very low127 Ų127138.6 Ų138.686%0.85880%0.797SS**  trans4.5115.4155.1-570000118.9
343C29.9Very low39.3Very low129 Ų129135 Ų13587%0.87280%0.801SS**PPolyproline II helixtrans-60141.7153.1-60.60000111.5
344Y30.6Very low37.6Very low229 Ų229133.3 Ų133.390%0.89880%0.803SS**PPolyproline II helixtrans-63.2153.8160.6-95.7-95.2000111.3
345P37Very low36.3Very low119 Ų119130.9 Ų130.977%0.77381%0.805SS**PPolyproline II helixtrans-95143.9-176.836-29.9000112.7
346A27.4Very low35.3Very low96 Ų96136.2 Ų136.279%0.79381%0.813SS**  trans164.5161.1136.100000110.4
347P40.1Very low34.4Very low118 Ų118139 Ų13977%0.76682%0.819SS**  cis-122.6176.9-42.233-16000111.4Y349P347-Y349 PolarHBondContact O-N 3.49Å
348H36.7Very low33.6Very low181 Ų181140.1 Ų140.184%0.83883%0.827SS**  trans-38.1125.4174.6-63.6-91.7000115.7
349Y30.2Very low32.9Very low228 Ų228143.2 Ų143.289%0.89483%0.831SS**  trans-166.1116133.6-117-86.2000108P347P347-Y349 PolarHBondContact O-N 3.49Å
350A33.7Very low32.4Very low94 Ų94142.5 Ų142.578%0.77782%0.824SS**  trans-80.2143.7168.100000109.3
351P31.4Very low31.9Very low125 Ų125145.1 Ų145.181%0.81283%0.832SS**  trans-129.4151.3135.726-9.2000112.3
352A29.1Very low31.4Very low98 Ų98146.6 Ų146.681%0.8183%0.829SS**  trans-57.4151177.800000113
353C30.1Very low31.6Very low132 Ų132148.4 Ų148.489%0.89283%0.83SS**  trans-62.7133.6167.1-72.50000110.8
354Q29.7Very low32.1Very low188 Ų188147.9 Ų147.988%0.87982%0.824SS**  trans-147.1132151.4-160.5130.73.300109.5
355D33.9Very low32.3Very low150 Ų150142 Ų14280%0.80282%0.823SS**  trans-49.2140.6177.2-63.9-59.8000113.2
356Q35.3Very low32.1Very low176 Ų176139.5 Ų139.582%0.82282%0.819SS**  175.4119.5127.9-95.9167.9-12.700113
357E31.7Very low32.3Very low165 Ų165143 Ų14377%0.77182%0.824SS**  trans47.6108.1141.9-68.3170.8117.700120.6Q359E357-Q359 PolarHBondContact O-N 3.24Å
358C26.9Very low32.4Very low138 Ų138142.6 Ų142.693%0.93282%0.821SS**  trans-74.9112.2154.1-64.30000110
359Q29.2Very low32.2Very low181 Ų181142.2 Ų142.285%0.84682%0.824SS**  trans-103.5126158.2-83-165.8-27.800110.6E357E357-Q359 PolarHBondContact O-N 3.24Å
360V29.8Very low32.8Very low124 Ų124136.8 Ų136.875%0.75282%0.817SS**  trans-78.3133.7169174.20000108.3
361S28.1Very low33.6Very low120 Ų120138 Ų13884%0.83982%0.817SS**  trans-146.6124.2155.9-790000110.5
362M30.1Very low33.7Very low161 Ų161140.2 Ų140.279%0.79382%0.822SS**  trans-92.5165.9176.2-68.8-82.4-155.500110.1
363L33Very low34.1Very low165 Ų165143.2 Ų143.286%0.86482%0.823SS**  trans107154.9160.1-68.5127.8000116.3
364P39.4Very low34.7Very low117 Ų117142.3 Ų142.376%0.7682%0.816SS**  -136-176.1-63.636.6-16.7000112.1
365A36.2Very low35.4Very low106 Ų106139.1 Ų139.188%0.87681%0.811SS**  trans-78.5152.917900000114.9
366G32.5Very low35.4Very low66 Ų66140.8 Ų140.868%0.6881%0.814SS**  trans151.993.6150.700000118.9
367L32.4Very low35.7Very low171 Ų171137.8 Ų137.890%0.89581%0.81SS**  trans53.6168133.5-69.3154000121.9
368P41.4Very low35.8Very low108 Ų108133.9 Ų133.970%0.70181%0.814SS**  cis-131.5171.6-40.836.5-19.5000113.3
369L32.8Very low36.2Very low174 Ų174137.1 Ų137.191%0.91181%0.812SS**  trans-138.7137.6165.5-82.3168000111.5
370P42.2Very low36.8Very low114 Ų114135.2 Ų135.274%0.7481%0.813SS**  trans-114.4-172.9166.343.7-31.7000111.2
371P50.5Low37.2Very low119 Ų119136 Ų13677%0.77382%0.818SS**  -117.5145.5-79.334.1-18.3000112.5
372D33.5Very low37.6Very low172 Ų172135 Ų13592%0.9282%0.818SS**  trans-108.2136.8164.3-84.8-40.7000110.7
373L36.7Very low38.1Very low161 Ų161139 Ų13984%0.84384%0.841SS**  trans-103168163.9-90.9151.1000108.1
374P44.1Very low38.3Very low113 Ų113137.7 Ų137.773%0.73484%0.84SS**  cis-127.9-177.4-17.5231.8000112.5
375P43.2Very low38.3Very low120 Ų120138.8 Ų138.878%0.77984%0.844SS**  trans-104.3158.4-161.438.3-30.2000115.1
376E34.3Very low38.4Very low186 Ų186140.6 Ų140.687%0.86984%0.842SS**  trans-113.3151.1162.3-87.7-79.6137.700110.3
377P41.3Very low38.7Very low113 Ų113145 Ų14573%0.73485%0.852SS**  trans-100.2157.6-150.137.2-32.6000114.8
378G34.6Very low39.1Very low83 Ų83143.4 Ų143.486%0.85685%0.849SS**  trans112.573.7147.200000116.3
379K36.1Very low39Very low206 Ų206145.7 Ų145.790%0.89686%0.859SS**  trans-135.4118.1152.4-145.3170.9-171.3177.50109.8
380T41.6Very low39.4Very low140 Ų140143.7 Ų143.786%0.85986%0.855SS**  trans-61.7133.9176.326.50000111.1
381T38.3Very low39.2Very low140 Ų140146 Ų14686%0.85986%0.864SS**  trans-69.6144.1169.89.40000111.2
382A34.8Very low38.2Very low100 Ų100148.3 Ų148.383%0.82687%0.871SS**  trans-117.2129.1148.800000107.2
383L40.5Very low38.7Very low245 Ų245146.1 Ų146.1100%1.28387%0.867SS**  trans-70.40172.9-95.2143000111.6

Retrieved 383 of 383 residues in 98.2 ms (Link to these results)