A0A096MTN6_PAPAN Loading...

Protein inhibitor of activated STAT 2

AlphaFold DB (A0A2K6D7K1), UniProt , Accession A0A096MTN6, Species PAPAN (Papio anubis, Olive baboon), Gene PIAS2, Length 621 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
1M47.5Very low79.6Confident224 Ų22477.7 Ų77.7100%1.10340%0.396SS*.  0-49.40-81-179.2169.700113.3D3 F4M1-D3 PolarHBondContact O-N 3.27Å; M1-F4 WeakPolarHBondContact O-CB 3.36Å; M1-F4 PolarHBondContact O-N 3.39Å
2A46.1Very low80.7Confident86 Ų8675.3 Ų75.371%0.71139%0.391SS*.Hα-helixtrans-43.5-52.6-172.500000116.5F4 E5 E6A2-F4 PolarHBondContact O-N 3.28Å; A2-F4 VanDerWaalsContact O-N 3.12Å; A2-E5 PolarHBondContact O-N 3.22Å; A2-E5 VanDerWaalsContact O-N 3.13Å; A2-E6 PolarHBondContact O-N 3.26Å
3D70.6Confident81.6Confident61 Ų6171.5 Ų71.533%0.32638%0.375SS..Hα-helixtrans-56.9-28.8-177.7-177.146.6000114M1 L7 Q54 R58M1-D3 PolarHBondContact O-N 3.27Å; D3-L7 WeakPolarHBondContact O-CB 3.1Å; D3-L7 WeakPolarHBondContact O-CD1 3.36Å; D3-L7 WeakPolarHBondContact O-CG 3.21Å; D3-L7 PolarHBondContact O-N 2.86Å; D3-Q54 PolarHBondContact OD2-OE1 3.11Å; D3-R58 IonicContact OD1-CZ 2.73Å; D3-R58 IonicContact OD1-NE 2.74Å; D3-R58 IonicContact OD1-NH2 2.74Å; D3-R58 PolarHBondContact OD1-NH2 3.46Å; D3-R58 IonicContact OD2-NH2 3.17Å; D3-R58 PolarHBondContact OD2-NH2 3.3Å
4F82Confident82.6Confident79 Ų7966.4 Ų66.435%0.34635%0.348SS..Hα-helixtrans-65.7-45.2177.3-179.1-87.2000112.2M1 A2 L7 R8 L45 K46M1-F4 WeakPolarHBondContact O-CB 3.36Å; M1-F4 PolarHBondContact O-N 3.39Å; A2-F4 PolarHBondContact O-N 3.28Å; A2-F4 VanDerWaalsContact O-N 3.12Å; F4-L7 PolarHBondContact O-N 3.38Å; F4-R8 WeakPolarHBondContact O-CB 3.46Å; F4-R8 PolarHBondContact O-N 3.45Å; F4-L45 HydrophobicContact CE2-CB 3.91Å; F4-L45 HydrophobicContact CZ-CB 4.18Å; F4-K46 HydrophobicContact CZ-CG 4.03Å
5E83.8Confident83.5Confident80 Ų8069.5 Ų69.537%0.37435%0.354SS..Hα-helixtrans-77.1-29-177.7-160.461.8-15200110.8A2 R8 N9A2-E5 PolarHBondContact O-N 3.22Å; A2-E5 VanDerWaalsContact O-N 3.13Å; E5-R8 PolarHBondContact O-N 3.18Å; E5-R8 WeakPolarHBondContact OE1-CD 3.41Å; E5-R8 IonicContact OE1-CZ 3.18Å; E5-R8 IonicContact OE1-NE 3.57Å; E5-R8 IonicContact OE1-NH1 2.7Å; E5-R8 PolarHBondContact OE1-NH1 3.03Å; E5-R8 WeakPolarHBondContact OE2-CD 3.34Å; E5-R8 IonicContact OE2-CZ 3.81Å; E5-R8 IonicContact OE2-NH1 2.67Å; E5-R8 PolarHBondContact OE2-NH1 3.04Å; E5-N9 WeakPolarHBondContact O-CB 3.19Å; E5-N9 PolarHBondContact O-N 2.97Å; E5-N9 PolarHBondContact O-ND2 2.78Å
6E86.9Confident84.1Confident108 Ų10868.7 Ų68.751%0.50535%0.353SS..Hα-helixtrans-62.6-51.3168.8-159.7-167.8155.900111A2 R8 N9 M10A2-E6 PolarHBondContact O-N 3.26Å; E6-R8 VanDerWaalsContact C-N 3.29Å; E6-R8 PolarHBondContact O-N 3.04Å; E6-N9 PolarHBondContact O-N 2.92Å; E6-N9 VanDerWaalsContact O-N 3.12Å; E6-M10 HydrophobicContact CG-CE 3.83Å; E6-M10 WeakPolarHBondContact O-CG 3.36Å; E6-M10 PolarHBondContact O-N 3.12Å; E6-M10 WeakPolarHBondContact OE1-CE 3.49Å
7L89.7Confident84.7Confident4 Ų468.2 Ų68.22%0.02136%0.357CS..Hα-helixtrans-59.8-37.4176.3-71.6168.5000112.4D3 F4 M10 V11 L45 Q54 I57 R58D3-L7 WeakPolarHBondContact O-CB 3.1Å; D3-L7 WeakPolarHBondContact O-CD1 3.36Å; D3-L7 WeakPolarHBondContact O-CG 3.21Å; D3-L7 PolarHBondContact O-N 2.86Å; F4-L7 PolarHBondContact O-N 3.38Å; L7-M10 PolarHBondContact O-N 3.05Å; L7-V11 WeakPolarHBondContact O-CB 3.39Å; L7-V11 WeakPolarHBondContact O-CG2 3.39Å; L7-V11 PolarHBondContact O-N 3.12Å; L7-L45 HydrophobicContact CB-CD1 4.46Å; L7-L45 HydrophobicContact CB-CD2 4.17Å; L7-Q54 HydrophobicContact CD1-CB 3.92Å; L7-Q54 HydrophobicContact CD1-CG 3.72Å; L7-Q54 HydrophobicContact CD2-CB 4.3Å; L7-I57 HydrophobicContact CD2-CB 3.86Å; L7-I57 HydrophobicContact CD2-CD1 4.25Å; L7-I57 HydrophobicContact CD2-CG2 3.65Å; L7-R58 HydrophobicContact CD2-CG 4.02Å
8R90.5Very high85.3Confident103 Ų10366 Ų6639%0.38935%0.345SS..Hα-helixtrans-63-42.2174.2177.3170.6175.8-153.72.2112.2F4 E5 E6 V11 S12 L42 L45F4-R8 WeakPolarHBondContact O-CB 3.46Å; F4-R8 PolarHBondContact O-N 3.45Å; E5-R8 PolarHBondContact O-N 3.18Å; E5-R8 WeakPolarHBondContact OE1-CD 3.41Å; E5-R8 IonicContact OE1-CZ 3.18Å; E5-R8 IonicContact OE1-NE 3.57Å; E5-R8 IonicContact OE1-NH1 2.7Å; E5-R8 PolarHBondContact OE1-NH1 3.03Å; E5-R8 WeakPolarHBondContact OE2-CD 3.34Å; E5-R8 IonicContact OE2-CZ 3.81Å; E5-R8 IonicContact OE2-NH1 2.67Å; E5-R8 PolarHBondContact OE2-NH1 3.04Å; E6-R8 VanDerWaalsContact C-N 3.29Å; E6-R8 PolarHBondContact O-N 3.04Å; R8-V11 PolarHBondContact O-N 2.71Å; R8-S12 VanDerWaalsContact O-CB 3.31Å; R8-S12 WeakPolarHBondContact O-CB 3.48Å; R8-S12 PolarHBondContact O-N 2.81Å; R8-S12 PolarHBondContact O-OG 3.31Å; R8-L42 HydrophobicContact CG-CD2 3.89Å; R8-L45 HydrophobicContact CB-CD1 4.11Å
9N91.8Very high85.8Confident98 Ų9862.5 Ų62.552%0.52433%0.326SS..Hα-helixtrans-67.7-40.8175.7-76.5-52.1000111.8E5 E6 S12 S13E5-N9 WeakPolarHBondContact O-CB 3.19Å; E5-N9 PolarHBondContact O-N 2.97Å; E5-N9 PolarHBondContact O-ND2 2.78Å; E6-N9 PolarHBondContact O-N 2.92Å; E6-N9 VanDerWaalsContact O-N 3.12Å; N9-S12 PolarHBondContact O-N 3.01Å; N9-S13 PolarHBondContact O-N 3.04Å
10M93.3Very high86.3Confident12 Ų1263.1 Ų63.16%0.05933%0.327CS..Hα-helixtrans-57-51.9172-66.7-168.7-16000111.7E6 L7 S12 S13 F14 I57 R58 Y61E6-M10 HydrophobicContact CG-CE 3.83Å; E6-M10 WeakPolarHBondContact O-CG 3.36Å; E6-M10 PolarHBondContact O-N 3.12Å; E6-M10 WeakPolarHBondContact OE1-CE 3.49Å; L7-M10 PolarHBondContact O-N 3.05Å; M10-S12 VanDerWaalsContact C-N 3.35Å; M10-S12 PolarHBondContact O-N 3.37Å; M10-S13 WeakPolarHBondContact O-CB 3.21Å; M10-S13 PolarHBondContact O-N 3.15Å; M10-S13 PolarHBondContact O-OG 3.24Å; M10-F14 WeakPolarHBondContact O-CD1 3.47Å; M10-F14 WeakPolarHBondContact O-CE1 3.45Å; M10-I57 HydrophobicContact CB-CG2 3.62Å; M10-I57 HydrophobicContact CG-CG2 4.42Å; M10-I57 HydrophobicContact SD-CG2 4.03Å; M10-R58 HydrophobicContact CE-CG 4.16Å; M10-R58 HydrophobicContact SD-CG 4.06Å; M10-Y61 HydrophobicContact CB-CD2 3.68Å; M10-Y61 HydrophobicContact CB-CE2 4.22Å; M10-Y61 HydrophobicContact CB-CG 3.94Å; M10-Y61 HydrophobicContact CE-CD1 4.38Å; M10-Y61 HydrophobicContact CG-CD1 3.87Å; M10-Y61 HydrophobicContact CG-CD2 3.71Å; M10-Y61 HydrophobicContact CG-CE1 4.23Å; M10-Y61 HydrophobicContact CG-CE2 4.08Å; M10-Y61 HydrophobicContact CG-CG 3.6Å; M10-Y61 HydrophobicContact SD-CD1 3.89Å; M10-Y61 HydrophobicContact SD-CD2 4.45Å; M10-Y61 HydrophobicContact SD-CG 3.76Å
11V93.8Very high86.7Confident0 Ų063.6 Ų63.60%033%0.333CS..Hα-helixtrans-62.8-38.9179.5169.10000112L7 R8 S13 F14 L19 L22 L38 A41 L42 L45 I57L7-V11 WeakPolarHBondContact O-CB 3.39Å; L7-V11 WeakPolarHBondContact O-CG2 3.39Å; L7-V11 PolarHBondContact O-N 3.12Å; R8-V11 PolarHBondContact O-N 2.71Å; V11-S13 PolarHBondContact O-N 3.37Å; V11-F14 HydrophobicContact CG2-CD2 4.46Å; V11-F14 HydrophobicContact CG2-CE2 4.15Å; V11-F14 WeakPolarHBondContact O-CB 3.11Å; V11-F14 PolarHBondContact O-N 3.06Å; V11-F14 VanDerWaalsContact O-N 3.09Å; V11-L19 HydrophobicContact CG1-CD2 4.18Å; V11-L22 HydrophobicContact CG2-CD2 3.95Å; V11-L38 HydrophobicContact CG1-CD1 3.86Å; V11-A41 HydrophobicContact CG1-CB 3.69Å; V11-L42 HydrophobicContact CB-CD2 4.4Å; V11-L42 HydrophobicContact CG1-CD2 3.95Å; V11-L42 HydrophobicContact CG1-CG 4.41Å; V11-L45 HydrophobicContact CB-CD1 4.45Å; V11-L45 HydrophobicContact CG2-CD1 4.22Å; V11-I57 HydrophobicContact CG2-CB 4.46Å; V11-I57 HydrophobicContact CG2-CD1 3.59Å; V11-I57 HydrophobicContact CG2-CG1 3.75Å; V11-I57 HydrophobicContact CG2-CG2 3.82Å
12S92.8Very high89Confident48 Ų4853 Ų5334%0.33628%0.281SS..Hα-helixtrans-63.9-27.6178.1-58.90000112.8R8 N9 M10R8-S12 VanDerWaalsContact O-CB 3.31Å; R8-S12 WeakPolarHBondContact O-CB 3.48Å; R8-S12 PolarHBondContact O-N 2.81Å; R8-S12 PolarHBondContact O-OG 3.31Å; N9-S12 PolarHBondContact O-N 3.01Å; M10-S12 VanDerWaalsContact C-N 3.35Å; M10-S12 PolarHBondContact O-N 3.37Å
13S92.4Very high91.3Very high26 Ų2648.9 Ų48.918%0.18225%0.247CC..Hα-helixtrans-68-31.7173.883.60000113.2N9 M10 V11 R64N9-S13 PolarHBondContact O-N 3.04Å; M10-S13 WeakPolarHBondContact O-CB 3.21Å; M10-S13 PolarHBondContact O-N 3.15Å; M10-S13 PolarHBondContact O-OG 3.24Å; V11-S13 PolarHBondContact O-N 3.37Å; S13-R64 PolarHBondContact O-NH1 2.96Å; S13-R64 PolarHBondContact O-NH2 3.39Å
14F95.9Very high92.3Very high0 Ų047.1 Ų47.10%024%0.243CC..  trans-58.4146.5-163.3-72.6-6.2000114.8M10 V11 E18 L19 L22 K34 I57 L60 Y61M10-F14 WeakPolarHBondContact O-CD1 3.47Å; M10-F14 WeakPolarHBondContact O-CE1 3.45Å; V11-F14 HydrophobicContact CG2-CD2 4.46Å; V11-F14 HydrophobicContact CG2-CE2 4.15Å; V11-F14 WeakPolarHBondContact O-CB 3.11Å; V11-F14 PolarHBondContact O-N 3.06Å; V11-F14 VanDerWaalsContact O-N 3.09Å; F14-E18 HydrophobicContact CB-CB 3.88Å; F14-E18 HydrophobicContact CD1-CB 4.17Å; F14-E18 HydrophobicContact CD2-CB 3.97Å; F14-E18 HydrophobicContact CG-CB 3.75Å; F14-L19 HydrophobicContact CB-CD2 3.96Å; F14-L19 HydrophobicContact CB-CG 3.81Å; F14-L19 HydrophobicContact CD2-CD2 4.25Å; F14-L22 HydrophobicContact CD2-CD2 4.42Å; F14-L22 HydrophobicContact CE2-CD2 4.15Å; F14-K34 WeakPolarHBondContact O-CE 3.39Å; F14-K34 PolarHBondContact O-NZ 2.65Å; F14-I57 HydrophobicContact CE2-CG2 4.38Å; F14-I57 HydrophobicContact CZ-CG2 4.04Å; F14-L60 HydrophobicContact CE1-CB 4.16Å; F14-L60 HydrophobicContact CE2-CB 4.11Å; F14-L60 HydrophobicContact CE2-CD1 4.15Å; F14-L60 HydrophobicContact CZ-CB 3.62Å; F14-L60 HydrophobicContact CZ-CD1 4.49Å; F14-Y61 HydrophobicContact CE1-CD2 4.1Å
15R95Very high92.8Very high114 Ų11448.3 Ų48.343%0.4325%0.248SC..  trans-82.9171.6168.3-61.6163.7177.8179.9-2.4109.6S17 E18 L19 N250R15-S17 PolarHBondContact O-N 3.27Å; R15-E18 WeakPolarHBondContact CB-OE1 3.44Å; R15-E18 WeakPolarHBondContact CB-OE2 3.41Å; R15-E18 PolarHBondContact N-OE2 3.03Å; R15-E18 PolarHBondContact O-N 2.8Å; R15-L19 WeakPolarHBondContact O-CG 3.41Å; R15-L19 PolarHBondContact O-N 3.08Å; R15-N250 PolarHBondContact NH1-OD1 2.86Å; R15-N250 PolarHBondContact NH2-OD1 2.91Å
16V93.1Very high93.1Very high56 Ų5645.7 Ų45.734%0.33924%0.24SC..Hα-helixtrans-50.8-44.9176.2174.20000111.3L19 Q20 K34 L37V16-L19 PolarHBondContact O-N 2.94Å; V16-Q20 HydrophobicContact CG1-CG 4.24Å; V16-Q20 WeakPolarHBondContact O-CB 3.44Å; V16-Q20 WeakPolarHBondContact O-CG 3.18Å; V16-Q20 PolarHBondContact O-N 3.26Å; V16-K34 HydrophobicContact CG2-CB 3.77Å; V16-K34 HydrophobicContact CG2-CG 3.93Å; V16-L37 HydrophobicContact CG1-CD1 3.84Å
17S94.9Very high93.3Very high61 Ų6144 Ų4443%0.42725%0.251SS..Hα-helixtrans-55.2-54.8176.433.20000113.7R15 L19 Q20 V21R15-S17 PolarHBondContact O-N 3.27Å; S17-L19 PolarHBondContact O-N 2.69Å; S17-Q20 PolarHBondContact O-N 3.25Å; S17-V21 WeakPolarHBondContact O-CG2 3.36Å; S17-V21 PolarHBondContact O-N 2.77Å
18E95.3Very high93.2Very high28 Ų2850.1 Ų50.113%0.13127%0.274CS..Hα-helixtrans-65.6-37.3179.4-58.388.3-9300112F14 R15 V21 L22 R64F14-E18 HydrophobicContact CB-CB 3.88Å; F14-E18 HydrophobicContact CD1-CB 4.17Å; F14-E18 HydrophobicContact CD2-CB 3.97Å; F14-E18 HydrophobicContact CG-CB 3.75Å; R15-E18 WeakPolarHBondContact CB-OE1 3.44Å; R15-E18 WeakPolarHBondContact CB-OE2 3.41Å; R15-E18 PolarHBondContact N-OE2 3.03Å; R15-E18 PolarHBondContact O-N 2.8Å; E18-V21 PolarHBondContact O-N 3.2Å; E18-L22 WeakPolarHBondContact O-CB 3.46Å; E18-L22 PolarHBondContact O-N 2.87Å; E18-R64 IonicContact OE2-NH1 3.01Å; E18-R64 PolarHBondContact OE2-NH1 2.85Å
19L95.6Very high93.3Very high0 Ų050 Ų500%028%0.281CS..Hα-helixtrans-64.5-39.6175-68.8167.5000112V11 F14 R15 V16 S17 L22 L23 K34 L37 L38 A41V11-L19 HydrophobicContact CG1-CD2 4.18Å; F14-L19 HydrophobicContact CB-CD2 3.96Å; F14-L19 HydrophobicContact CB-CG 3.81Å; F14-L19 HydrophobicContact CD2-CD2 4.25Å; R15-L19 WeakPolarHBondContact O-CG 3.41Å; R15-L19 PolarHBondContact O-N 3.08Å; V16-L19 PolarHBondContact O-N 2.94Å; S17-L19 PolarHBondContact O-N 2.69Å; L19-L22 PolarHBondContact O-N 2.86Å; L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 VanDerWaalsContact O-CG 3.3Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 2.82Å; L19-K34 HydrophobicContact CD1-CG 4.15Å; L19-L37 HydrophobicContact CB-CB 4.07Å; L19-L37 HydrophobicContact CD1-CB 4.14Å; L19-L38 HydrophobicContact CD1-CB 4.08Å; L19-L38 HydrophobicContact CD2-CD1 4.29Å; L19-A41 HydrophobicContact CD2-CB 3.79Å
20Q94.8Very high93.4Very high74 Ų7450.6 Ų50.635%0.34628%0.279SS..Hα-helixtrans-67.3-37.7176-75.3177.5-4000112.5V16 S17 G24 K30 L37V16-Q20 HydrophobicContact CG1-CG 4.24Å; V16-Q20 WeakPolarHBondContact O-CB 3.44Å; V16-Q20 WeakPolarHBondContact O-CG 3.18Å; V16-Q20 PolarHBondContact O-N 3.26Å; S17-Q20 PolarHBondContact O-N 3.25Å; Q20-G24 WeakPolarHBondContact O-CA 3.37Å; Q20-G24 PolarHBondContact O-N 3.26Å; Q20-K30 HydrophobicContact CB-CB 4.43Å; Q20-K30 HydrophobicContact CG-CB 4.31Å; Q20-K30 WeakPolarHBondContact CG-O 3.39Å; Q20-K30 PolarHBondContact NE2-O 2.81Å; Q20-L37 HydrophobicContact CG-CD1 4.06Å; Q20-L37 HydrophobicContact CG-CD2 4.39Å
21V95.6Very high93.2Very high74 Ų7453.4 Ų53.445%0.44830%0.3SS..Hα-helixtrans-67.9-42.8173.4173.60000110.9S17 E18 G24 F25 L60S17-V21 WeakPolarHBondContact O-CG2 3.36Å; S17-V21 PolarHBondContact O-N 2.77Å; E18-V21 PolarHBondContact O-N 3.2Å; V21-G24 PolarHBondContact O-N 2.91Å; V21-F25 VanDerWaalsContact O-CB 3.31Å; V21-F25 WeakPolarHBondContact O-CB 3.43Å; V21-F25 PolarHBondContact O-N 2.93Å; V21-L60 HydrophobicContact CB-CD2 4.42Å; V21-L60 HydrophobicContact CG1-CD1 4.34Å; V21-L60 HydrophobicContact CG1-CD2 4.01Å
22L94.9Very high93Very high1 Ų155.7 Ų55.71%0.00532%0.324CS..Hα-helixtrans-64.1-52.4177.8179.464.8000112.2V11 F14 E18 L19 G24 F25 A26 A41 V53 K56 I57 L60V11-L22 HydrophobicContact CG2-CD2 3.95Å; F14-L22 HydrophobicContact CD2-CD2 4.42Å; F14-L22 HydrophobicContact CE2-CD2 4.15Å; E18-L22 WeakPolarHBondContact O-CB 3.46Å; E18-L22 PolarHBondContact O-N 2.87Å; L19-L22 PolarHBondContact O-N 2.86Å; L22-G24 VanDerWaalsContact C-N 3.28Å; L22-G24 PolarHBondContact O-N 2.94Å; L22-F25 PolarHBondContact O-N 2.82Å; L22-A26 PolarHBondContact O-N 2.68Å; L22-A41 HydrophobicContact CD2-CB 4.06Å; L22-V53 HydrophobicContact CD1-CG1 3.95Å; L22-K56 HydrophobicContact CD1-CB 4.35Å; L22-K56 HydrophobicContact CD1-CG 4.42Å; L22-I57 HydrophobicContact CD1-CD1 4.35Å; L22-I57 HydrophobicContact CD1-CG1 3.61Å; L22-I57 HydrophobicContact CD2-CD1 4.31Å; L22-I57 HydrophobicContact CD2-CG1 3.86Å; L22-I57 HydrophobicContact CG-CG1 4.41Å; L22-L60 HydrophobicContact CB-CD1 4Å
23L94Very high92.9Very high0 Ų062.9 Ų62.90%034%0.344CS..Hα-helixtrans-62.1-39.4177.4-71.7169.3000111L19 F25 A26 G27 R28 L37 R40 A41L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 VanDerWaalsContact O-CG 3.3Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 2.82Å; L23-F25 VanDerWaalsContact C-N 3.35Å; L23-F25 PolarHBondContact O-N 3.12Å; L23-A26 CarbonylContact O-C 3.37Å; L23-A26 PolarHBondContact O-N 3.2Å; L23-A26 VanDerWaalsContact O-N 3.16Å; L23-G27 PolarHBondContact O-N 3.14Å; L23-G27 VanDerWaalsContact O-N 3.16Å; L23-R28 HydrophobicContact CB-CB 4.16Å; L23-R28 HydrophobicContact CD2-CB 3.84Å; L23-R28 HydrophobicContact CD2-CG 4.31Å; L23-R28 PolarHBondContact O-N 2.88Å; L23-L37 HydrophobicContact CD1-CB 4.09Å; L23-L37 HydrophobicContact CD1-CD2 3.55Å; L23-L37 HydrophobicContact CD1-CG 4.45Å; L23-R40 HydrophobicContact CD1-CB 4.33Å; L23-R40 HydrophobicContact CD2-CB 3.92Å; L23-A41 HydrophobicContact CD2-CB 4.42Å
24G93.1Very high93Very high23 Ų2366.3 Ų66.324%0.23736%0.355CS..Hα-helixtrans-68.9-28.4177.200000114.9Q20 V21 L22Q20-G24 WeakPolarHBondContact O-CA 3.37Å; Q20-G24 PolarHBondContact O-N 3.26Å; V21-G24 PolarHBondContact O-N 2.91Å; L22-G24 VanDerWaalsContact C-N 3.28Å; L22-G24 PolarHBondContact O-N 2.94Å
25F92.4Very high92.9Very high104 Ų10472.4 Ų72.446%0.45638%0.384SS..Hα-helixtrans-73.3-33.2169.5177.6-96.8000111.5V21 L22 L23 G27 A52 V53 K56V21-F25 VanDerWaalsContact O-CB 3.31Å; V21-F25 WeakPolarHBondContact O-CB 3.43Å; V21-F25 PolarHBondContact O-N 2.93Å; L22-F25 PolarHBondContact O-N 2.82Å; L23-F25 VanDerWaalsContact C-N 3.35Å; L23-F25 PolarHBondContact O-N 3.12Å; F25-G27 VanDerWaalsContact C-N 3.32Å; F25-G27 PolarHBondContact O-N 2.77Å; F25-A52 HydrophobicContact CE1-CB 4.17Å; F25-A52 WeakPolarHBondContact CE1-O 3.22Å; F25-A52 HydrophobicContact CZ-CB 4.17Å; F25-V53 HydrophobicContact CD1-CG2 4.31Å; F25-V53 HydrophobicContact CE1-CG2 4.27Å; F25-K56 HydrophobicContact CB-CG 4.28Å; F25-K56 HydrophobicContact CD1-CB 3.86Å; F25-K56 HydrophobicContact CD1-CG 3.77Å; F25-K56 HydrophobicContact CD2-CD 4.39Å; F25-K56 HydrophobicContact CD2-CG 4.31Å; F25-K56 HydrophobicContact CE1-CB 3.84Å; F25-K56 HydrophobicContact CE1-CG 4.13Å; F25-K56 HydrophobicContact CG-CB 4.45Å; F25-K56 HydrophobicContact CG-CD 4.42Å; F25-K56 HydrophobicContact CG-CG 3.87Å; F25-K56 HydrophobicContact CZ-CB 4.4Å
26A89.7Confident92.8Very high25 Ų2569.7 Ų69.721%0.20738%0.378CS..THydrogen-bonded Turntrans-88.115.217700000114.7L22 L23 R28 L44 V53L22-A26 PolarHBondContact O-N 2.68Å; L23-A26 CarbonylContact O-C 3.37Å; L23-A26 PolarHBondContact O-N 3.2Å; L23-A26 VanDerWaalsContact O-N 3.16Å; A26-R28 PolarHBondContact O-N 3.23Å; A26-L44 HydrophobicContact CB-CD1 4.13Å; A26-L44 HydrophobicContact CB-CD2 3.41Å; A26-L44 VanDerWaalsContact CB-CD2 3.41Å; A26-L44 HydrophobicContact CB-CG 4.42Å; A26-V53 HydrophobicContact CB-CG2 4.19Å
27G89.9Confident92.9Very high72 Ų7267 Ų6774%0.74236%0.362SS*.THydrogen-bonded Turntrans65.217.9178.300000115.5L23 F25L23-G27 PolarHBondContact O-N 3.14Å; L23-G27 VanDerWaalsContact O-N 3.16Å; F25-G27 VanDerWaalsContact C-N 3.32Å; F25-G27 PolarHBondContact O-N 2.77Å
28R89.4Confident92.9Very high133 Ų13365.7 Ų65.750%0.50235%0.349SS..  trans-99.9158.8-178.7-58.8-55.1-170.5158.24.6112.2L23 A26 K30L23-R28 HydrophobicContact CB-CB 4.16Å; L23-R28 HydrophobicContact CD2-CB 3.84Å; L23-R28 HydrophobicContact CD2-CG 4.31Å; L23-R28 PolarHBondContact O-N 2.88Å; A26-R28 PolarHBondContact O-N 3.23Å; R28-K30 WeakPolarHBondContact O-CG 3.41Å
29N91Very high92.8Very high100 Ų10069.4 Ų69.454%0.53537%0.368SS..  trans-59.6135.6178.3-172.1-14.1000111.5S31N29-S31 PolarHBondContact OD1-N 3.3Å; N29-S31 PolarHBondContact OD1-OG 3.43Å; N29-S31 VanDerWaalsContact OD1-OG 3.04Å
30K94.1Very high92.7Very high111 Ų11173.2 Ų73.248%0.48338%0.382SS..  trans-105.6-0.4-172.4-39.7-179.1-154-167.40113.1Q20 R28Q20-K30 HydrophobicContact CB-CB 4.43Å; Q20-K30 HydrophobicContact CG-CB 4.31Å; Q20-K30 WeakPolarHBondContact CG-O 3.39Å; Q20-K30 PolarHBondContact NE2-O 2.81Å; R28-K30 WeakPolarHBondContact O-CG 3.41Å
31S88.8Confident92.6Very high72 Ų7269.8 Ų69.850%0.50337%0.366SS..  trans-96.7157.1177.1690000112.7N29 R40N29-S31 PolarHBondContact OD1-N 3.3Å; N29-S31 PolarHBondContact OD1-OG 3.43Å; N29-S31 VanDerWaalsContact OD1-OG 3.04Å; S31-R40 PolarHBondContact O-NH1 2.8Å; S31-R40 PolarHBondContact O-NH2 3.04Å
32G90.7Very high92.5Very high48 Ų4867.8 Ų67.850%0.49535%0.353SS..SBendtrans121.2175.5-177.900000113.4
33R91Very high92.3Very high198 Ų19873.5 Ų73.575%0.74738%0.379SS*.  trans-73.8164.8177.5-66.1-177-88.9-157.4-6.5110.7H35 D36 L37R33-H35 PolarHBondContact O-N 3.13Å; R33-D36 WeakPolarHBondContact CB-OD2 3.38Å; R33-D36 PolarHBondContact N-OD2 2.87Å; R33-D36 PolarHBondContact O-N 2.94Å; R33-D36 VanDerWaalsContact O-N 3.17Å; R33-L37 WeakPolarHBondContact O-CG 3.31Å; R33-L37 PolarHBondContact O-N 3.29Å; R33-L37 VanDerWaalsContact O-N 3.07Å
34K93.4Very high92Very high99 Ų9974.4 Ų74.443%0.4338%0.384SS..Hα-helixtrans-54-41.5-178.7-168.2-160.8173.1-1680111.9F14 V16 L19 L37 L38F14-K34 WeakPolarHBondContact O-CE 3.39Å; F14-K34 PolarHBondContact O-NZ 2.65Å; V16-K34 HydrophobicContact CG2-CB 3.77Å; V16-K34 HydrophobicContact CG2-CG 3.93Å; L19-K34 HydrophobicContact CD1-CG 4.15Å; K34-L37 PolarHBondContact O-N 2.78Å; K34-L38 VanDerWaalsContact O-CB 3.29Å; K34-L38 WeakPolarHBondContact O-CB 3.29Å; K34-L38 PolarHBondContact O-N 2.96Å
35H93.4Very high91.7Very high128 Ų12873.6 Ų73.659%0.59337%0.374SS*.Hα-helixtrans-60.7-51.5179.1-173.989.2000111.2R33 L37 L38 M39R33-H35 PolarHBondContact O-N 3.13Å; H35-L37 VanDerWaalsContact C-N 3.31Å; H35-L37 PolarHBondContact O-N 2.89Å; H35-L38 PolarHBondContact O-N 3.39Å; H35-L38 VanDerWaalsContact O-N 3.11Å; H35-M39 WeakPolarHBondContact O-CG 3.38Å; H35-M39 PolarHBondContact O-N 3.14Å
36D93.2Very high91.1Very high57 Ų5776.3 Ų76.331%0.30539%0.386SS..Hα-helixtrans-58.8-42.1-179.9-32.3-19.5000111.7R33 R40R33-D36 WeakPolarHBondContact CB-OD2 3.38Å; R33-D36 PolarHBondContact N-OD2 2.87Å; R33-D36 PolarHBondContact O-N 2.94Å; R33-D36 VanDerWaalsContact O-N 3.17Å; D36-R40 WeakPolarHBondContact O-CG 3.37Å; D36-R40 PolarHBondContact O-N 2.78Å; D36-R40 VanDerWaalsContact O-N 3.17Å; D36-R40 PolarHBondContact O-NE 2.99Å
37L94.9Very high90.3Very high0 Ų078.2 Ų78.20%040%0.398CS..Hα-helixtrans-67.3-42.2176-66.3166.2000111.6V16 L19 Q20 L23 R33 K34 H35 R40 A41V16-L37 HydrophobicContact CG1-CD1 3.84Å; L19-L37 HydrophobicContact CB-CB 4.07Å; L19-L37 HydrophobicContact CD1-CB 4.14Å; Q20-L37 HydrophobicContact CG-CD1 4.06Å; Q20-L37 HydrophobicContact CG-CD2 4.39Å; L23-L37 HydrophobicContact CD1-CB 4.09Å; L23-L37 HydrophobicContact CD1-CD2 3.55Å; L23-L37 HydrophobicContact CD1-CG 4.45Å; R33-L37 WeakPolarHBondContact O-CG 3.31Å; R33-L37 PolarHBondContact O-N 3.29Å; R33-L37 VanDerWaalsContact O-N 3.07Å; K34-L37 PolarHBondContact O-N 2.78Å; H35-L37 VanDerWaalsContact C-N 3.31Å; H35-L37 PolarHBondContact O-N 2.89Å; L37-R40 PolarHBondContact O-N 3.24Å; L37-A41 WeakPolarHBondContact O-CB 3.28Å; L37-A41 PolarHBondContact O-N 2.95Å
38L94.9Very high89.2Confident32 Ų3277.9 Ų77.917%0.16839%0.394CS..Hα-helixtrans-64-46.4176.4176.659.3000111.4V11 L19 K34 H35 R40 A41 L42V11-L38 HydrophobicContact CG1-CD1 3.86Å; L19-L38 HydrophobicContact CD1-CB 4.08Å; L19-L38 HydrophobicContact CD2-CD1 4.29Å; K34-L38 VanDerWaalsContact O-CB 3.29Å; K34-L38 WeakPolarHBondContact O-CB 3.29Å; K34-L38 PolarHBondContact O-N 2.96Å; H35-L38 PolarHBondContact O-N 3.39Å; H35-L38 VanDerWaalsContact O-N 3.11Å; L38-R40 VanDerWaalsContact C-N 3.32Å; L38-R40 PolarHBondContact O-N 2.7Å; L38-A41 PolarHBondContact O-N 2.85Å; L38-A41 VanDerWaalsContact O-N 3.11Å; L38-L42 HydrophobicContact CD1-CD1 4Å; L38-L42 HydrophobicContact CD1-CD2 4.45Å; L38-L42 HydrophobicContact CD1-CG 3.94Å; L38-L42 HydrophobicContact CG-CD1 4Å; L38-L42 HydrophobicContact CG-CG 4.34Å; L38-L42 WeakPolarHBondContact O-CG 3.5Å; L38-L42 PolarHBondContact O-N 3.05Å
39M94Very high88.6Confident107 Ų10772.4 Ų72.453%0.52738%0.376SS..Hα-helixtrans-60.2-40.3178.1-73.3-65.6-79.700112H35 L42 H43H35-M39 WeakPolarHBondContact O-CG 3.38Å; H35-M39 PolarHBondContact O-N 3.14Å; M39-L42 PolarHBondContact O-N 2.82Å; M39-H43 WeakPolarHBondContact O-CB 3.32Å; M39-H43 PolarHBondContact O-N 3.14Å
40R94Very high88.3Confident80 Ų8070.4 Ų70.430%0.30237%0.37SS..Hα-helixtrans-67.1-37.4173.7-75.6171.9-71179.96.1112.6L23 S31 D36 L37 L38 H43 L44L23-R40 HydrophobicContact CD1-CB 4.33Å; L23-R40 HydrophobicContact CD2-CB 3.92Å; S31-R40 PolarHBondContact O-NH1 2.8Å; S31-R40 PolarHBondContact O-NH2 3.04Å; D36-R40 WeakPolarHBondContact O-CG 3.37Å; D36-R40 PolarHBondContact O-N 2.78Å; D36-R40 VanDerWaalsContact O-N 3.17Å; D36-R40 PolarHBondContact O-NE 2.99Å; L37-R40 PolarHBondContact O-N 3.24Å; L38-R40 VanDerWaalsContact C-N 3.32Å; L38-R40 PolarHBondContact O-N 2.7Å; R40-H43 PolarHBondContact O-N 3.11Å; R40-L44 WeakPolarHBondContact O-CB 3.48Å; R40-L44 PolarHBondContact O-N 3.06Å
41A93.1Very high87.8Confident1 Ų169.4 Ų69.41%0.00838%0.375CS..Hα-helixtrans-69.5-3517500000112.9V11 L19 L22 L23 L37 L38 L44 L45V11-A41 HydrophobicContact CG1-CB 3.69Å; L19-A41 HydrophobicContact CD2-CB 3.79Å; L22-A41 HydrophobicContact CD2-CB 4.06Å; L23-A41 HydrophobicContact CD2-CB 4.42Å; L37-A41 WeakPolarHBondContact O-CB 3.28Å; L37-A41 PolarHBondContact O-N 2.95Å; L38-A41 PolarHBondContact O-N 2.85Å; L38-A41 VanDerWaalsContact O-N 3.11Å; A41-L44 WeakPolarHBondContact O-CB 3.33Å; A41-L45 PolarHBondContact O-N 3.47Å
42L92.9Very high87.6Confident33 Ų3368.3 Ų68.317%0.17337%0.37CS..Hα-helixtrans-74.1-32.5174-67.7179.1000112.5R8 V11 L38 M39 L45 K46R8-L42 HydrophobicContact CG-CD2 3.89Å; V11-L42 HydrophobicContact CB-CD2 4.4Å; V11-L42 HydrophobicContact CG1-CD2 3.95Å; V11-L42 HydrophobicContact CG1-CG 4.41Å; L38-L42 HydrophobicContact CD1-CD1 4Å; L38-L42 HydrophobicContact CD1-CD2 4.45Å; L38-L42 HydrophobicContact CD1-CG 3.94Å; L38-L42 HydrophobicContact CG-CD1 4Å; L38-L42 HydrophobicContact CG-CG 4.34Å; L38-L42 WeakPolarHBondContact O-CG 3.5Å; L38-L42 PolarHBondContact O-N 3.05Å; M39-L42 PolarHBondContact O-N 2.82Å; L42-L45 HydrophobicContact CD2-CD1 4.16Å; L42-L45 WeakPolarHBondContact O-CB 3.49Å; L42-L45 PolarHBondContact O-N 2.92Å; L42-K46 PolarHBondContact O-N 2.77Å
43H89.7Confident87.5Confident120 Ų12066.4 Ų66.456%0.55635%0.349SS*.Hα-helixtrans-66.1-42.2170.9-175.593.4000111.3M39 R40 L45 K46 S47M39-H43 WeakPolarHBondContact O-CB 3.32Å; M39-H43 PolarHBondContact O-N 3.14Å; R40-H43 PolarHBondContact O-N 3.11Å; H43-L45 PolarHBondContact O-N 2.97Å; H43-K46 PolarHBondContact O-N 2.87Å; H43-S47 PolarHBondContact O-N 2.63Å; H43-S47 PolarHBondContact O-OG 2.88Å
44L88.3Confident87.5Confident20 Ų2059.1 Ų59.111%0.10532%0.323CS..Hα-helixtrans-58.4-31.4173.3179.867.9000113A26 R40 A41 V53A26-L44 HydrophobicContact CB-CD1 4.13Å; A26-L44 HydrophobicContact CB-CD2 3.41Å; A26-L44 VanDerWaalsContact CB-CD2 3.41Å; A26-L44 HydrophobicContact CB-CG 4.42Å; R40-L44 WeakPolarHBondContact O-CB 3.48Å; R40-L44 PolarHBondContact O-N 3.06Å; A41-L44 WeakPolarHBondContact O-CB 3.33Å; L44-V53 HydrophobicContact CD2-CG1 3.81Å; L44-V53 HydrophobicContact CG-CG1 4.29Å
45L86.3Confident87.3Confident5 Ų559.3 Ų59.33%0.02633%0.328CS..Hα-helixtrans-66.6-51.4169.7-72.6179.7000111.4F4 L7 R8 V11 A41 L42 H43 S47 C49 I57F4-L45 HydrophobicContact CE2-CB 3.91Å; F4-L45 HydrophobicContact CZ-CB 4.18Å; L7-L45 HydrophobicContact CB-CD1 4.46Å; L7-L45 HydrophobicContact CB-CD2 4.17Å; R8-L45 HydrophobicContact CB-CD1 4.11Å; V11-L45 HydrophobicContact CB-CD1 4.45Å; V11-L45 HydrophobicContact CG2-CD1 4.22Å; A41-L45 PolarHBondContact O-N 3.47Å; L42-L45 HydrophobicContact CD2-CD1 4.16Å; L42-L45 WeakPolarHBondContact O-CB 3.49Å; L42-L45 PolarHBondContact O-N 2.92Å; H43-L45 PolarHBondContact O-N 2.97Å; L45-S47 VanDerWaalsContact C-N 3.33Å; L45-S47 PolarHBondContact O-N 2.69Å; L45-C49 HydrophobicContact CD2-CB 4.04Å; L45-I57 HydrophobicContact CD2-CD1 3.68Å
46K81.1Confident87.3Confident162 Ų16255 Ų5570%0.70431%0.308SS*.Hα-helixtrans-62.9-33.3-177.4-72.5-176.2175-171.80113.7F4 L42 H43 G48F4-K46 HydrophobicContact CZ-CG 4.03Å; L42-K46 PolarHBondContact O-N 2.77Å; H43-K46 PolarHBondContact O-N 2.87Å; K46-G48 PolarHBondContact O-N 3.23Å; K46-G48 VanDerWaalsContact O-N 3.14Å
47S72.4Confident87.3Confident64 Ų6452.3 Ų52.345%0.44829%0.293SS..THydrogen-bonded Turntrans-8326.8-174.2750000114.7H43 L45H43-S47 PolarHBondContact O-N 2.63Å; H43-S47 PolarHBondContact O-OG 2.88Å; L45-S47 VanDerWaalsContact C-N 3.33Å; L45-S47 PolarHBondContact O-N 2.69Å
48G66.9Low87.2Confident65 Ų6555.1 Ų55.167%0.6730%0.304SS*.THydrogen-bonded Turntrans79.974.1-174.400000113.2K46 S50K46-G48 PolarHBondContact O-N 3.23Å; K46-G48 VanDerWaalsContact O-N 3.14Å; G48-S50 PolarHBondContact O-N 2.85Å
49C77.5Confident87.1Confident18 Ų1856.1 Ų56.112%0.12231%0.308CS..  trans-62.4115.5179.3-169.70000113L45 V53 Q54L45-C49 HydrophobicContact CD2-CB 4.04Å; C49-V53 VanDerWaalsContact SG-CG1 3.53Å; C49-Q54 HydrophobicContact CB-CG 4.28Å; C49-Q54 PolarHBondContact O-NE2 2.87Å; C49-Q54 VanDerWaalsContact SG-CG 3.57Å
50S83.6Confident87.1Confident59 Ų5951.7 Ų51.741%0.41329%0.286SS..  trans-65.4148.2178.375.20000112G48 A52 V53 Q54G48-S50 PolarHBondContact O-N 2.85Å; S50-A52 PolarHBondContact O-N 2.88Å; S50-A52 VanDerWaalsContact O-N 3.09Å; S50-V53 PolarHBondContact O-N 2.84Å; S50-Q54 PolarHBondContact O-N 2.91Å; S50-Q54 VanDerWaalsContact O-N 3.14Å
51P83.3Confident87Confident90 Ų9051.6 Ų51.658%0.58429%0.286SS*.Hα-helixtrans-54.5-34.1-177.6-28.836000114V53 Q54 I55P51-V53 PolarHBondContact O-N 2.89Å; P51-Q54 PolarHBondContact O-N 2.96Å; P51-I55 VanDerWaalsContact O-CG1 3.28Å; P51-I55 WeakPolarHBondContact O-CG1 3.11Å; P51-I55 PolarHBondContact O-N 2.63Å
52A84.3Confident87Confident49 Ų4959.8 Ų59.841%0.40532%0.317SS..Hα-helixtrans-61.6-41.2175.100000112.7F25 S50 I55 K56F25-A52 HydrophobicContact CE1-CB 4.17Å; F25-A52 WeakPolarHBondContact CE1-O 3.22Å; F25-A52 HydrophobicContact CZ-CB 4.17Å; S50-A52 PolarHBondContact O-N 2.88Å; S50-A52 VanDerWaalsContact O-N 3.09Å; A52-I55 PolarHBondContact O-N 2.82Å; A52-K56 WeakPolarHBondContact O-CB 3.43Å; A52-K56 PolarHBondContact O-N 3.48Å
53V89.7Confident86.7Confident8 Ų866.3 Ų66.35%0.04834%0.339CS..Hα-helixtrans-69.1-39.5176.5175.50000110.6L22 F25 A26 L44 C49 S50 P51 K56 I57L22-V53 HydrophobicContact CD1-CG1 3.95Å; F25-V53 HydrophobicContact CD1-CG2 4.31Å; F25-V53 HydrophobicContact CE1-CG2 4.27Å; A26-V53 HydrophobicContact CB-CG2 4.19Å; L44-V53 HydrophobicContact CD2-CG1 3.81Å; L44-V53 HydrophobicContact CG-CG1 4.29Å; C49-V53 VanDerWaalsContact SG-CG1 3.53Å; S50-V53 PolarHBondContact O-N 2.84Å; P51-V53 PolarHBondContact O-N 2.89Å; V53-K56 WeakPolarHBondContact O-CB 3.41Å; V53-K56 PolarHBondContact O-N 2.91Å; V53-K56 VanDerWaalsContact O-N 3.15Å; V53-I57 HydrophobicContact CG1-CD1 4.22Å; V53-I57 WeakPolarHBondContact O-CG1 3.21Å; V53-I57 PolarHBondContact O-N 2.95Å
54Q90.2Very high86.2Confident44 Ų4463.9 Ų63.921%0.20633%0.325CS..Hα-helixtrans-60.8-46.6174.3-54.8177.112.200111.7D3 L7 C49 S50 P51 K56 I57 R58D3-Q54 PolarHBondContact OD2-OE1 3.11Å; L7-Q54 HydrophobicContact CD1-CB 3.92Å; L7-Q54 HydrophobicContact CD1-CG 3.72Å; L7-Q54 HydrophobicContact CD2-CB 4.3Å; C49-Q54 HydrophobicContact CB-CG 4.28Å; C49-Q54 PolarHBondContact O-NE2 2.87Å; C49-Q54 VanDerWaalsContact SG-CG 3.57Å; S50-Q54 PolarHBondContact O-N 2.91Å; S50-Q54 VanDerWaalsContact O-N 3.14Å; P51-Q54 PolarHBondContact O-N 2.96Å; Q54-K56 VanDerWaalsContact C-N 3.27Å; Q54-K56 PolarHBondContact O-N 3.35Å; Q54-I57 PolarHBondContact O-N 2.91Å; Q54-R58 WeakPolarHBondContact O-CG 3.32Å; Q54-R58 PolarHBondContact O-N 3.49Å
55I90.4Very high85.9Confident104 Ų10468 Ų6853%0.53334%0.34SS..Hα-helixtrans-58-42.5173.6-69.2163.9000110.1P51 A52 I57 R58 E59P51-I55 VanDerWaalsContact O-CG1 3.28Å; P51-I55 WeakPolarHBondContact O-CG1 3.11Å; P51-I55 PolarHBondContact O-N 2.63Å; A52-I55 PolarHBondContact O-N 2.82Å; I55-I57 PolarHBondContact O-N 3.37Å; I55-R58 PolarHBondContact O-N 2.82Å; I55-E59 WeakPolarHBondContact O-CB 3.34Å; I55-E59 PolarHBondContact O-N 3.43Å
56K92.7Very high84.9Confident37 Ų3772.6 Ų72.616%0.16137%0.371CS..Hα-helixtrans-64.5-36.6179.2-160.954161.7-172.50113.3L22 F25 A52 V53 Q54 E59 L60L22-K56 HydrophobicContact CD1-CB 4.35Å; L22-K56 HydrophobicContact CD1-CG 4.42Å; F25-K56 HydrophobicContact CB-CG 4.28Å; F25-K56 HydrophobicContact CD1-CB 3.86Å; F25-K56 HydrophobicContact CD1-CG 3.77Å; F25-K56 HydrophobicContact CD2-CD 4.39Å; F25-K56 HydrophobicContact CD2-CG 4.31Å; F25-K56 HydrophobicContact CE1-CB 3.84Å; F25-K56 HydrophobicContact CE1-CG 4.13Å; F25-K56 HydrophobicContact CG-CB 4.45Å; F25-K56 HydrophobicContact CG-CD 4.42Å; F25-K56 HydrophobicContact CG-CG 3.87Å; F25-K56 HydrophobicContact CZ-CB 4.4Å; A52-K56 WeakPolarHBondContact O-CB 3.43Å; A52-K56 PolarHBondContact O-N 3.48Å; V53-K56 WeakPolarHBondContact O-CB 3.41Å; V53-K56 PolarHBondContact O-N 2.91Å; V53-K56 VanDerWaalsContact O-N 3.15Å; Q54-K56 VanDerWaalsContact C-N 3.27Å; Q54-K56 PolarHBondContact O-N 3.35Å; K56-E59 WeakPolarHBondContact CD-OE2 3.26Å; K56-E59 WeakPolarHBondContact CE-OE2 3.38Å; K56-E59 VanDerWaalsContact NZ-CD 3.28Å; K56-E59 IonicContact NZ-OE1 2.67Å; K56-E59 PolarHBondContact NZ-OE1 2.97Å; K56-E59 VanDerWaalsContact NZ-OE1 3.07Å; K56-E59 IonicContact NZ-OE2 3.42Å; K56-E59 PolarHBondContact NZ-OE2 2.85Å; K56-E59 PolarHBondContact O-N 2.92Å; K56-L60 HydrophobicContact CG-CD1 4.29Å; K56-L60 WeakPolarHBondContact O-CB 3.45Å; K56-L60 VanDerWaalsContact O-CG 3.27Å; K56-L60 WeakPolarHBondContact O-CG 3.11Å; K56-L60 PolarHBondContact O-N 2.98Å
57I93.6Very high83.8Confident1 Ų176.6 Ų76.61%0.00538%0.381CS..Hα-helixtrans-63.3-50172.7-67.4163.5000110.1L7 M10 V11 F14 L22 L45 V53 Q54 I55 E59 L60 Y61L7-I57 HydrophobicContact CD2-CB 3.86Å; L7-I57 HydrophobicContact CD2-CD1 4.25Å; L7-I57 HydrophobicContact CD2-CG2 3.65Å; M10-I57 HydrophobicContact CB-CG2 3.62Å; M10-I57 HydrophobicContact CG-CG2 4.42Å; M10-I57 HydrophobicContact SD-CG2 4.03Å; V11-I57 HydrophobicContact CG2-CB 4.46Å; V11-I57 HydrophobicContact CG2-CD1 3.59Å; V11-I57 HydrophobicContact CG2-CG1 3.75Å; V11-I57 HydrophobicContact CG2-CG2 3.82Å; F14-I57 HydrophobicContact CE2-CG2 4.38Å; F14-I57 HydrophobicContact CZ-CG2 4.04Å; L22-I57 HydrophobicContact CD1-CD1 4.35Å; L22-I57 HydrophobicContact CD1-CG1 3.61Å; L22-I57 HydrophobicContact CD2-CD1 4.31Å; L22-I57 HydrophobicContact CD2-CG1 3.86Å; L22-I57 HydrophobicContact CG-CG1 4.41Å; L45-I57 HydrophobicContact CD2-CD1 3.68Å; V53-I57 HydrophobicContact CG1-CD1 4.22Å; V53-I57 WeakPolarHBondContact O-CG1 3.21Å; V53-I57 PolarHBondContact O-N 2.95Å; Q54-I57 PolarHBondContact O-N 2.91Å; I55-I57 PolarHBondContact O-N 3.37Å; I57-E59 VanDerWaalsContact C-N 3.3Å; I57-E59 PolarHBondContact O-N 3.39Å; I57-L60 PolarHBondContact O-N 3.43Å; I57-Y61 WeakPolarHBondContact O-CB 3.4Å; I57-Y61 PolarHBondContact O-N 3.21Å
58R92.9Very high82.5Confident59 Ų5980 Ų8022%0.22340%0.399CS..Hα-helixtrans-62.6-36179-61-179.6-160.8110.11.6112D3 L7 M10 Q54 I55 R62D3-R58 IonicContact OD1-CZ 2.73Å; D3-R58 IonicContact OD1-NE 2.74Å; D3-R58 IonicContact OD1-NH2 2.74Å; D3-R58 PolarHBondContact OD1-NH2 3.46Å; D3-R58 IonicContact OD2-NH2 3.17Å; D3-R58 PolarHBondContact OD2-NH2 3.3Å; L7-R58 HydrophobicContact CD2-CG 4.02Å; M10-R58 HydrophobicContact CE-CG 4.16Å; M10-R58 HydrophobicContact SD-CG 4.06Å; Q54-R58 WeakPolarHBondContact O-CG 3.32Å; Q54-R58 PolarHBondContact O-N 3.49Å; I55-R58 PolarHBondContact O-N 2.82Å; R58-R62 WeakPolarHBondContact O-CB 3.44Å; R58-R62 WeakPolarHBondContact O-CG 3.41Å; R58-R62 PolarHBondContact O-N 2.93Å
59E93.4Very high81Confident53 Ų5384.6 Ų84.625%0.24841%0.408CS..Hα-helixtrans-63.5-50.2173.4-172.9-160.414800112.2I55 K56 I57 R62 R63I55-E59 WeakPolarHBondContact O-CB 3.34Å; I55-E59 PolarHBondContact O-N 3.43Å; K56-E59 WeakPolarHBondContact CD-OE2 3.26Å; K56-E59 WeakPolarHBondContact CE-OE2 3.38Å; K56-E59 VanDerWaalsContact NZ-CD 3.28Å; K56-E59 IonicContact NZ-OE1 2.67Å; K56-E59 PolarHBondContact NZ-OE1 2.97Å; K56-E59 VanDerWaalsContact NZ-OE1 3.07Å; K56-E59 IonicContact NZ-OE2 3.42Å; K56-E59 PolarHBondContact NZ-OE2 2.85Å; K56-E59 PolarHBondContact O-N 2.92Å; I57-E59 VanDerWaalsContact C-N 3.3Å; I57-E59 PolarHBondContact O-N 3.39Å; E59-R62 PolarHBondContact O-N 3.43Å; E59-R63 PolarHBondContact O-N 3Å; E59-R63 IonicContact OE1-CZ 2.72Å; E59-R63 IonicContact OE1-NH1 3.63Å; E59-R63 PolarHBondContact OE1-NH1 3.4Å; E59-R63 IonicContact OE1-NH2 3.74Å; E59-R63 PolarHBondContact OE1-NH2 2.81Å
60L92.9Very high78.9Confident14 Ų1492.7 Ų92.77%0.07344%0.444CS..Hα-helixtrans-64.8-38.8179.1-72.3169.1000111.9F14 V21 L22 K56 I57 R64F14-L60 HydrophobicContact CE1-CB 4.16Å; F14-L60 HydrophobicContact CE2-CB 4.11Å; F14-L60 HydrophobicContact CE2-CD1 4.15Å; F14-L60 HydrophobicContact CZ-CB 3.62Å; F14-L60 HydrophobicContact CZ-CD1 4.49Å; V21-L60 HydrophobicContact CB-CD2 4.42Å; V21-L60 HydrophobicContact CG1-CD1 4.34Å; V21-L60 HydrophobicContact CG1-CD2 4.01Å; L22-L60 HydrophobicContact CB-CD1 4Å; K56-L60 HydrophobicContact CG-CD1 4.29Å; K56-L60 WeakPolarHBondContact O-CB 3.45Å; K56-L60 VanDerWaalsContact O-CG 3.27Å; K56-L60 WeakPolarHBondContact O-CG 3.11Å; K56-L60 PolarHBondContact O-N 2.98Å; I57-L60 PolarHBondContact O-N 3.43Å; L60-R64 PolarHBondContact O-N 2.85Å
61Y92.3Very high76.4Confident78 Ų7893.5 Ų93.531%0.30646%0.462SS..Hα-helixtrans-66.3-46.3176.7-166.9-102.6000111.8M10 F14 I57 R63 R64 Y65M10-Y61 HydrophobicContact CB-CD2 3.68Å; M10-Y61 HydrophobicContact CB-CE2 4.22Å; M10-Y61 HydrophobicContact CB-CG 3.94Å; M10-Y61 HydrophobicContact CE-CD1 4.38Å; M10-Y61 HydrophobicContact CG-CD1 3.87Å; M10-Y61 HydrophobicContact CG-CD2 3.71Å; M10-Y61 HydrophobicContact CG-CE1 4.23Å; M10-Y61 HydrophobicContact CG-CE2 4.08Å; M10-Y61 HydrophobicContact CG-CG 3.6Å; M10-Y61 HydrophobicContact SD-CD1 3.89Å; M10-Y61 HydrophobicContact SD-CD2 4.45Å; M10-Y61 HydrophobicContact SD-CG 3.76Å; F14-Y61 HydrophobicContact CE1-CD2 4.1Å; I57-Y61 WeakPolarHBondContact O-CB 3.4Å; I57-Y61 PolarHBondContact O-N 3.21Å; Y61-R63 PolarHBondContact O-N 3.39Å; Y61-R64 PolarHBondContact O-N 3.34Å; Y61-R64 VanDerWaalsContact O-N 3.08Å; Y61-Y65 HydrophobicContact CD1-CD2 4.44Å; Y61-Y65 AromaticContact CD2-CD2 3.9Å; Y61-Y65 HydrophobicContact CD2-CD2 3.9Å; Y61-Y65 HydrophobicContact CD2-CE2 4.15Å; Y61-Y65 HydrophobicContact CE1-CD2 4.15Å; Y61-Y65 AromaticContact CE2-CD2 3.55Å; Y61-Y65 HydrophobicContact CE2-CD2 3.55Å; Y61-Y65 AromaticContact CE2-CE2 3.64Å; Y61-Y65 HydrophobicContact CE2-CE2 3.64Å; Y61-Y65 HydrophobicContact CG-CD2 4.33Å; Y61-Y65 AromaticContact CZ-CD2 3.69Å; Y61-Y65 PolarHBondContact O-N 3.38Å
62R92Very high74.3Confident173 Ų17397.2 Ų97.265%0.65348%0.476SS*.Hα-helixtrans-62.9-36176-75.7-168.4-128.7130.5-4.3113.6R58 E59 R64 Y65R58-R62 WeakPolarHBondContact O-CB 3.44Å; R58-R62 WeakPolarHBondContact O-CG 3.41Å; R58-R62 PolarHBondContact O-N 2.93Å; E59-R62 PolarHBondContact O-N 3.43Å; R62-R64 PolarHBondContact O-N 3.18Å; R62-Y65 CarbonylContact O-C 3.36Å
63R86.6Confident71.8Confident170 Ų170100.5 Ų100.564%0.64250%0.495SS*.Hα-helixtrans-62.2-26.5173.8-80.3-151.4-171.382.87.7113.4E59 Y61E59-R63 PolarHBondContact O-N 3Å; E59-R63 IonicContact OE1-CZ 2.72Å; E59-R63 IonicContact OE1-NH1 3.63Å; E59-R63 PolarHBondContact OE1-NH1 3.4Å; E59-R63 IonicContact OE1-NH2 3.74Å; E59-R63 PolarHBondContact OE1-NH2 2.81Å; Y61-R63 PolarHBondContact O-N 3.39Å
64R80.6Confident68.9Low69 Ų69107.5 Ų107.526%0.2653%0.533SS..Hα-helixtrans-95.5-30.2-177.7178.4172.7156.8177-16.7113.3S13 E18 L60 Y61 R62 P66S13-R64 PolarHBondContact O-NH1 2.96Å; S13-R64 PolarHBondContact O-NH2 3.39Å; E18-R64 IonicContact OE2-NH1 3.01Å; E18-R64 PolarHBondContact OE2-NH1 2.85Å; L60-R64 PolarHBondContact O-N 2.85Å; Y61-R64 PolarHBondContact O-N 3.34Å; Y61-R64 VanDerWaalsContact O-N 3.08Å; R62-R64 PolarHBondContact O-N 3.18Å; R64-P66 VanDerWaalsContact C-CD 3.49Å
65Y80.3Confident66.3Low106 Ų106112.5 Ų112.542%0.41656%0.56SS.*SBendtrans-125.272.9175.6-59.3-77.1000110.1Y61 R62 R67Y61-Y65 HydrophobicContact CD1-CD2 4.44Å; Y61-Y65 AromaticContact CD2-CD2 3.9Å; Y61-Y65 HydrophobicContact CD2-CD2 3.9Å; Y61-Y65 HydrophobicContact CD2-CE2 4.15Å; Y61-Y65 HydrophobicContact CE1-CD2 4.15Å; Y61-Y65 AromaticContact CE2-CD2 3.55Å; Y61-Y65 HydrophobicContact CE2-CD2 3.55Å; Y61-Y65 AromaticContact CE2-CE2 3.64Å; Y61-Y65 HydrophobicContact CE2-CE2 3.64Å; Y61-Y65 HydrophobicContact CG-CD2 4.33Å; Y61-Y65 AromaticContact CZ-CD2 3.69Å; Y61-Y65 PolarHBondContact O-N 3.38Å; R62-Y65 CarbonylContact O-C 3.36Å; Y65-R67 PolarHBondContact O-N 3.3Å
66P67Low63.5Low102 Ų102112.9 Ų112.966%0.66257%0.572SS**PPolyproline II helixtrans-61.3120.1168.1-15.630.1000108.2R64 T68R64-P66 VanDerWaalsContact C-CD 3.49Å; P66-T68 PolarHBondContact O-N 3.05Å
67R57.9Low60.7Low245 Ų245116.8 Ų116.893%0.92560%0.599SS**PPolyproline II helixtrans-76.2116.4172.5-70.8-168.9-177.5-169.13.1108.6Y65Y65-R67 PolarHBondContact O-N 3.3Å
68T43.6Very low57.8Low136 Ų136124.6 Ų124.683%0.83464%0.639SS**PPolyproline II helixtrans-69.2123.7159.4-36.80000108.1P66P66-T68 PolarHBondContact O-N 3.05Å
69L36.6Very low54.8Low162 Ų162131.9 Ų131.985%0.84867%0.672SS**  trans-158136159.6-143.880.1000110.7
70E33.6Very low51.6Low188 Ų188134.1 Ų134.188%0.87969%0.694SS**  trans-90.8166.4159.3-63.6164.1110.500108.9
71G30.9Very low48.5Very low76 Ų76138.4 Ų138.478%0.78473%0.725SS**  trans107146.9175.200000114.4
72L39.6Very low45.5Very low168 Ų168140.4 Ų140.488%0.8875%0.745SS**  trans-112.8169.6-171.2-68.9172.3000112.1
73S30.8Very low42.5Very low117 Ų117141 Ų14182%0.81875%0.753SS**  trans67.4116.9167.4-50.70000114.3
74D28.6Very low39.6Very low155 Ų155139 Ų13983%0.82977%0.765SS**  -158.4-170.258.5-142.5-34.1000113.5
75L35.4Very low37.1Very low150 Ų150142.8 Ų142.879%0.78579%0.789SS**  trans68.669.6169-77.1164.1000116.9T77L75-T77 PolarHBondContact O-N 3.21Å; L75-T77 VanDerWaalsContact O-N 3.12Å
76S32.4Very low34.6Very low112 Ų112145 Ų14578%0.78381%0.808SS**  trans-57.7102.2138.552.80000111.1
77T33.6Very low32.7Very low119 Ų119144 Ų14473%0.7382%0.817SS**  trans-172.5107.8144.8-78.20000110.4L75L75-T77 PolarHBondContact O-N 3.21Å; L75-T77 VanDerWaalsContact O-N 3.12Å
78I32.5Very low31.3Very low164 Ų164137.7 Ų137.784%0.84181%0.81SS**  trans179.7103.2138-90.3151.3000106
79K30.5Very low30.7Very low212 Ų212136.4 Ų136.492%0.92281%0.807SS**  trans-113.5115.2159.1-96.1-171.8175.7-179.20106.8
80S26.6Very low30.4Very low101 Ų101134 Ų13471%0.70680%0.803SS**  trans-157.1120.6154.4-173.20000107.7
81S28Very low31Very low103 Ų103130.6 Ų130.672%0.7280%0.797SS**  cis98.171.422.6870000115.6
82V27.7Very low30.9Very low120 Ų120134 Ų13473%0.72780%0.803SS**  trans-148.3132.7152.4-118.20000106.1
83F28.8Very low30.4Very low186 Ų186134.1 Ų134.182%0.81680%0.799SS**  cis-128.3153.12.5-74.6-104.5000111.3
84S25.8Very low31.3Very low128 Ų128133.1 Ų133.190%0.89579%0.789SS**  trans-158.6149.4145.6-800000107.5
85L29.4Very low31.3Very low148 Ų148132.3 Ų132.378%0.77579%0.785SS**  trans-118.9141.1-166.8-152.278.3000111.6
86D27.2Very low31.2Very low153 Ų153132.8 Ų132.882%0.81879%0.788SS**  trans57.9144.6163.3-57.4-27.5000121.1
87G27.1Very low31.1Very low81 Ų81131.9 Ų131.984%0.83579%0.787SS**  trans142.582.4-179.900000112.7
88S28.3Very low31Very low113 Ų113132.9 Ų132.979%0.7979%0.792SS**  trans-80.3144.6-168.955.70000115.9
89S30.7Very low30.9Very low108 Ų108129.9 Ų129.976%0.75579%0.792SS**  trans2.7149.3147.5610000120
90S31.5Very low30.8Very low111 Ų111123.2 Ų123.278%0.77678%0.784SS**  cis-155.517640.962.50000114.1
91P45.4Very low31.1Very low117 Ų117125.3 Ų125.376%0.7679%0.785SS**  trans-111.5173.7-168.341.9-34.2000115.2
92V29.2Very low31.2Very low147 Ų147128.3 Ų128.389%0.89179%0.788SS**  trans-169149137.61370000111
93E28.9Very low31.1Very low172 Ų172128.1 Ų128.180%0.80479%0.792SS**  trans-96.9-170177.3-85.8-111.8126.400111.2
94P49.3Very low31.3Very low95 Ų95127.2 Ų127.262%0.61780%0.795SS**  cis-128.9-171.9-11.927.9-3.9000113
95D27.9Very low32.1Very low139 Ų139126.7 Ų126.774%0.74379%0.788SS**  153.1163.196.3-134.8-16.2000117.5
96L34.1Very low32.1Very low160 Ų160124.5 Ų124.584%0.83879%0.786SS**  trans-75.7161.1-164.9-63.9154.4000116.8
97A30.8Very low32.3Very low92 Ų92123.5 Ų123.576%0.7679%0.785SS**  176.6126.2115.900000117.5
98V30.8Very low32.4Very low140 Ų140125 Ų12585%0.84878%0.782SS**  trans58.7102132.7-171.50000122.6
99A30.5Very low32.5Very low101 Ų101126.2 Ų126.284%0.83579%0.785SS**  26.3143.5126.900000125
100G28.3Very low32.6Very low73 Ų73127 Ų12775%0.75379%0.785SS**  trans179.8141.315900000111.1
101I33.3Very low33.2Very low144 Ų144126.1 Ų126.174%0.73878%0.777SS**  trans-144.3148.5-168.2-26.9175.5000114.1
102H29.8Very low32.5Very low166 Ų166129 Ų12977%0.76978%0.78SS**  trans104.1133.3150.7-65-64.9000122
103S25.9Very low32.5Very low117 Ų117127.3 Ų127.382%0.81878%0.775SS**  trans94.7135.4145.6-63.80000121.5
104L33.8Very low33.2Very low167 Ų167124.7 Ų124.787%0.87477%0.773SS**  trans-97.1171.6176.1-61.3162.5000110.2
105P41.5Very low32.4Very low116 Ų116125.4 Ų125.475%0.75378%0.78SS**  -152.5152.695.838.1-20000118.5
106S29.6Very low32.6Very low103 Ų103124.2 Ų124.272%0.7278%0.782SS**  trans53112.3134.4-54.50000124.7
107T30.8Very low33Very low132 Ų132122.7 Ų122.781%0.8178%0.782SS**  41.7127.612762.10000122.9
108S29.3Very low33.2Very low111 Ų111125.2 Ų125.278%0.77679%0.788SS**  -177.8136.9112.746.40000115.7
109V31.8Very low33.2Very low140 Ų140122 Ų12285%0.84878%0.784SS**  trans39.3146.5132.8-164.30000122.3
110T31.7Very low33.2Very low123 Ų123122.5 Ų122.576%0.75578%0.781SS**  trans-80.9-168.8176.8590000112.4
111P43.9Very low33.4Very low94 Ų94125.3 Ų125.361%0.6178%0.783SS**  cis-135.9-163.9-2.534.1-10.2000115.4
112H31Very low33.3Very low176 Ų176126.2 Ų126.282%0.81579%0.789SS**  trans123.5134.3150.6-63.5-66.3000117.6
113S30.6Very low33.6Very low113 Ų113126 Ų12679%0.7979%0.792SS**  trans-106.5162.8160.9-40.60000108.1
114P42.9Very low33.8Very low116 Ų116129.6 Ų129.675%0.75380%0.796SS**  -155.3178.482.539.6-19.6000117.2
115S31.3Very low33.8Very low111 Ų111129.2 Ų129.278%0.77680%0.795SS**  trans63.6130.6148.954.80000121.8
116S33.1Very low33.3Very low113 Ų113129.8 Ų129.879%0.7980%0.796SS**  trans-73.4170163.6-43.40000112.6
117P43.3Very low33.5Very low128 Ų128133.5 Ų133.583%0.83180%0.799SS**  -130.3173.6114.138.2-32.6000113.9
118V34.8Very low33.7Very low145 Ų145132.7 Ų132.788%0.87980%0.796SS**  trans-87.1139.7179.5-179.10000110.5
119G30.3Very low33.8Very low74 Ų74133.4 Ų133.476%0.76380%0.797SS**  trans-151144.5174.100000111.5
120S29.6Very low34Very low111 Ų111136 Ų13678%0.77680%0.797SS**  trans-103.3143.4-163.6-610000115.1
121V33.1Very low34.2Very low131 Ų131138.3 Ų138.379%0.79480%0.799SS**  trans55.6104.5137.8176.50000118
122L31.9Very low34.1Very low164 Ų164142.1 Ų142.186%0.85981%0.811SS**  -168.1164.2109.4-113156000112.3
123L34.6Very low34.4Very low162 Ų162142.2 Ų142.285%0.84881%0.812SS**  trans-83.2133.2-177.8-66.7161.9000111.4
124Q31.6Very low34.8Very low191 Ų191145.3 Ų145.389%0.89381%0.814SS**  trans-132.3143.2147.4-77.4-165.5-18.100109.3
125D32.6Very low34.5Very low159 Ų159145.2 Ų145.285%0.8581%0.813SS**  trans-93.5117.5-168.2-174.7-4.3000111.1
126T32.7Very low34.8Very low128 Ų128144.8 Ų144.879%0.78581%0.81SS**  trans-139.768.5177.3-22.50000111.8
127K33.3Very low35.7Very low181 Ų181144.8 Ų144.879%0.78781%0.807SS**  trans31.694.6145.3-170.2179.8-175177.90115.6T129K127-T129 PolarHBondContact O-N 2.87Å; K127-T129 VanDerWaalsContact O-N 3.15Å
128P33.6Very low36.4Very low115 Ų115144.4 Ų144.475%0.74781%0.805SS**  trans-66.2116.6-177.826.8-34.2000111.8F130P128-F130 PolarHBondContact O-N 3.45Å
129T31.4Very low37.8Very low127 Ų127144.7 Ų144.778%0.77980%0.8SS**  trans-63.5124.2161.3-61.70000108.3K127 E131K127-T129 PolarHBondContact O-N 2.87Å; K127-T129 VanDerWaalsContact O-N 3.15Å; T129-E131 VanDerWaalsContact C-N 3.29Å; T129-E131 PolarHBondContact O-N 2.94Å
130F36.9Very low39.4Very low195 Ų195142.8 Ų142.886%0.85577%0.774SS**  trans-72.282.5177.3-120.1-94.7000109.8P128 M132P128-F130 PolarHBondContact O-N 3.45Å; F130-M132 PolarHBondContact O-N 2.86Å
131E36.3Very low41.5Very low171 Ų171141.3 Ų141.380%0.79976%0.762SS**  trans-63.5103159.5-74.9-157.4144.200107.7T129 Q133T129-E131 VanDerWaalsContact C-N 3.29Å; T129-E131 PolarHBondContact O-N 2.94Å; E131-Q133 PolarHBondContact O-N 2.86Å
132M40.5Very low43.4Very low173 Ų173139.3 Ų139.385%0.85275%0.75SS**  trans-72.378.2175.1-176.1160.556.700108.8F130 Q134F130-M132 PolarHBondContact O-N 2.86Å; M132-Q134 PolarHBondContact O-N 2.7Å
133Q38.2Very low45.7Very low179 Ų179136.7 Ų136.784%0.83673%0.733SS**  trans-56.2106.2-178-166.3172.652.400108.8E131 P135E131-Q133 PolarHBondContact O-N 2.86Å; Q133-P135 VanDerWaalsContact O-N 3.14Å
134Q38.8Very low47.6Very low178 Ų178129.6 Ų129.683%0.83270%0.696SS**PPolyproline II helixtrans-59.5119.4-171.7-168.7174.439.100108.5M132 S136M132-Q134 PolarHBondContact O-N 2.7Å; Q134-S136 PolarHBondContact O-N 2.98Å; Q134-S136 VanDerWaalsContact O-N 3.14Å
135P37.3Very low50.2Low113 Ų113127.3 Ų127.373%0.73469%0.69SS**PPolyproline II helixtrans-61.4123.9-169.822.2-32.9000109.7Q133Q133-P135 VanDerWaalsContact O-N 3.14Å
136S38.1Very low53Low103 Ų103119.8 Ų119.872%0.7265%0.65SS**PPolyproline II helixtrans-50.1132.3175.5550000109.4Q134Q134-S136 PolarHBondContact O-N 2.98Å; Q134-S136 VanDerWaalsContact O-N 3.14Å
137P51.7Low55.9Low112 Ų112120.1 Ų120.173%0.72764%0.643SS**PPolyproline II helixtrans-54.9128.4-17422-33.3000109.7I139P137-I139 PolarHBondContact O-N 2.73Å; P137-I139 VanDerWaalsContact O-N 3.13Å
138P58.1Low58.9Low121 Ų121112.5 Ų112.579%0.78661%0.611SS**PPolyproline II helixtrans-59.8121.9-170.122.3-33.1000109.8P140P138-P140 WeakPolarHBondContact O-CD 3.47Å; P138-P140 VanDerWaalsContact O-N 3.14Å
139I63.6Low61.8Low151 Ų151111.1 Ų111.177%0.77459%0.593SS**PPolyproline II helixtrans-59.8118.4-179.6-61173.4000107.4P137P137-I139 PolarHBondContact O-N 2.73Å; P137-I139 VanDerWaalsContact O-N 3.13Å
140P64.3Low64.9Low33 Ų33109.9 Ų109.921%0.21458%0.582CS.*PPolyproline II helixtrans-63.2133-176.823.9-32.5000109.5P138 V142 V167P138-P140 WeakPolarHBondContact O-CD 3.47Å; P138-P140 VanDerWaalsContact O-N 3.14Å; P140-V142 PolarHBondContact O-N 3.5Å; P140-V167 HydrophobicContact CG-CG1 4.15Å; P140-V167 HydrophobicContact CG-CG2 4.31Å
141P73.9Confident67.8Low81 Ų81102.3 Ų102.353%0.52655%0.55SS..PPolyproline II helixtrans-59.1137.6-171.422.6-33.3000110.9H143 P144 S165P141-H143 VanDerWaalsContact C-N 3.26Å; P141-H143 PolarHBondContact O-N 2.81Å; P141-P144 HydrophobicContact CG-CB 4.14Å; P141-S165 VanDerWaalsContact O-CB 3.28Å; P141-S165 WeakPolarHBondContact O-CB 3.3Å; P141-S165 PolarHBondContact O-OG 2.88Å
142V72.4Confident70.7Confident89 Ų8995.2 Ų95.254%0.53952%0.518SS..SBendtrans-57-44.8-175.4179.20000110.6P140 T164 S165P140-V142 PolarHBondContact O-N 3.5Å; V142-T164 HydrophobicContact CG1-CG2 4.49Å; V142-T164 CarbonylContact O-C 3.54Å; V142-T164 VanDerWaalsContact O-CA 3.29Å; V142-T164 WeakPolarHBondContact O-CA 3.42Å; V142-T164 WeakPolarHBondContact O-CG2 3.37Å; V142-S165 PolarHBondContact O-N 2.87Å
143H78.9Confident73.4Confident109 Ų10987.7 Ų87.751%0.50548%0.481SS..SBendtrans-112102.8167.3-61.3-60.8000108.5P141 P163 T164P141-H143 VanDerWaalsContact C-N 3.26Å; P141-H143 PolarHBondContact O-N 2.81Å; H143-P163 WeakPolarHBondContact CA-O 3.36Å; H143-P163 PolarHBondContact ND1-O 2.9Å; H143-T164 PolarHBondContact CE1-OG1 2.76Å; H143-T164 PolarHBondContact ND1-OG1 3.33Å; H143-T164 VanDerWaalsContact ND1-OG1 3.14Å
144P75.6Confident76.2Confident12 Ų1281.4 Ų81.48%0.07845%0.45CS..  trans-80.2150.8170.535.2-34.3000109.4P141 V146 S165P141-P144 HydrophobicContact CG-CB 4.14Å; P144-V146 HydrophobicContact CB-CG2 3.77Å; P144-V146 HydrophobicContact CG-CB 4.24Å; P144-V146 HydrophobicContact CG-CG2 3.78Å; P144-V146 PolarHBondContact O-N 2.81Å; P144-S165 WeakPolarHBondContact CD-OG 3.49Å; P144-S165 WeakPolarHBondContact CG-OG 3.39Å
145D86.5Confident79.1Confident143 Ų14375.1 Ų75.177%0.76542%0.422SS*.  trans-72.934.6177.8-58.2-61.2000113.7Q147 T218D145-Q147 PolarHBondContact O-N 2.82Å; D145-T218 HydrophobicContact CB-CG2 4.26Å
146V91.4Very high82Confident2 Ų273.5 Ų73.51%0.01241%0.41CS..  trans-77.6113.4-178.1172.90000109P144 P163 A216 T218 Q222P144-V146 HydrophobicContact CB-CG2 3.77Å; P144-V146 HydrophobicContact CG-CB 4.24Å; P144-V146 HydrophobicContact CG-CG2 3.78Å; P144-V146 PolarHBondContact O-N 2.81Å; V146-P163 WeakPolarHBondContact O-CB 3.2Å; V146-P163 WeakPolarHBondContact O-CG 3.5Å; V146-A216 HydrophobicContact CG2-CB 4.42Å; V146-T218 HydrophobicContact CG2-CG2 3.92Å; V146-Q222 HydrophobicContact CG1-CG 3.95Å
147Q93.3Very high84.8Confident134 Ų13471.8 Ų71.863%0.62639%0.392SS*.PPolyproline II helixtrans-92.5139.5171.9-58.3-179.59.200109.2D145 P221 Q222D145-Q147 PolarHBondContact O-N 2.82Å; Q147-P221 HydrophobicContact CB-CB 4.43Å; Q147-P221 CarbonylContact O-C 3.58Å; Q147-P221 VanDerWaalsContact O-CA 3.28Å; Q147-P221 WeakPolarHBondContact O-CA 2.94Å; Q147-Q222 PolarHBondContact O-N 3.15Å
148L95.7Very high87.1Confident22 Ų2269.8 Ų69.812%0.11538%0.376CS..BIsolated β-bridgetrans-95.3145.9170.7-70.485.3000109.6R212 C214L148-R212 HydrophobicContact CD2-CB 3.48Å; L148-R212 VanDerWaalsContact CD2-CB 3.48Å; L148-R212 HydrophobicContact CD2-CG 4.35Å; L148-C214 HydrophobicContact CD2-CB 4.02Å; L148-C214 HydrophobicContact CG-CB 4.1Å
149K95.2Very high89Confident85 Ų8566.9 Ų66.937%0.3736%0.355SS..PPolyproline II helixtrans-59141.3175.7-68.9-172.1-164179.70110.6R212 P221 Q222 E223K149-R212 PolarHBondContact O-NH1 3.34Å; K149-R212 PolarHBondContact O-NH2 3.19Å; K149-P221 WeakPolarHBondContact CE-O 3.49Å; K149-P221 HydrophobicContact CG-CB 3.91Å; K149-P221 WeakPolarHBondContact CG-O 3.48Å; K149-Q222 PolarHBondContact N-O 2.86Å; K149-E223 HydrophobicContact CD-CG 3.63Å; K149-E223 HydrophobicContact CG-CG 4.49Å; K149-E223 IonicContact NZ-OE1 3.6Å; K149-E223 PolarHBondContact NZ-OE1 2.95Å
150N95.7Very high90.6Very high102 Ų10261 Ų6155%0.54533%0.325SS..PPolyproline II helixtrans-56.8143.2171.3-170.627.8000110.4
151L97.4Very high92.2Very high35 Ų3560.3 Ų60.318%0.18332%0.319CS..  trans-111.1107.9177-66.1172.9000107.6F153 Y154 R212 P260L151-F153 PolarHBondContact O-N 3.43Å; L151-Y154 HydrophobicContact CB-CD2 3.86Å; L151-Y154 HydrophobicContact CD1-CD2 4.2Å; L151-Y154 PolarHBondContact O-N 2.97Å; L151-R212 VanDerWaalsContact CD1-CZ 3.47Å; L151-P260 HydrophobicContact CD1-CB 3.79Å; L151-P260 HydrophobicContact CD1-CG 3.71Å
152P97.5Very high93.3Very high22 Ų2263.2 Ų63.214%0.14332%0.324CS..THydrogen-bonded Turntrans-54.6-29.2-168.3-31.436.7000115.5Y154 L304 W383 Y394P152-Y154 VanDerWaalsContact C-N 3.31Å; P152-Y154 PolarHBondContact O-N 2.8Å; P152-L304 HydrophobicContact CB-CD1 3.92Å; P152-L304 WeakPolarHBondContact O-CD1 3.4Å; P152-L304 WeakPolarHBondContact O-CD2 3.5Å; P152-W383 HydrophobicContact CB-CH2 4.14Å; P152-W383 HydrophobicContact CB-CZ2 3.85Å; P152-W383 HydrophobicContact CG-CH2 4.31Å; P152-W383 HydrophobicContact CG-CZ2 3.77Å; P152-Y394 HydrophobicContact CB-CD1 3.9Å; P152-Y394 HydrophobicContact CB-CG 3.78Å; P152-Y394 VanDerWaalsContact CG-CB 3.46Å; P152-Y394 HydrophobicContact CG-CD1 4.29Å; P152-Y394 HydrophobicContact CG-CG 4.12Å
153F97.6Very high94.5Very high15 Ų1560.2 Ų60.27%0.06631%0.306CS..THydrogen-bonded Turntrans-84.19.5177.9-69.2-77000115L151 Q298 L299 L304 L374 N377 E378 W383L151-F153 PolarHBondContact O-N 3.43Å; F153-Q298 CarbonylContact O-C 3.37Å; F153-Q298 WeakPolarHBondContact O-CA 3.28Å; F153-L299 WeakPolarHBondContact CD1-O 3.24Å; F153-L299 PolarHBondContact O-N 3.15Å; F153-L304 HydrophobicContact CD1-CD1 3.51Å; F153-L304 HydrophobicContact CD1-CG 4.07Å; F153-L304 HydrophobicContact CD2-CD1 4.22Å; F153-L304 HydrophobicContact CE1-CD1 3.44Å; F153-L304 VanDerWaalsContact CE1-CD1 3.44Å; F153-L304 HydrophobicContact CE1-CG 4.03Å; F153-L304 HydrophobicContact CE2-CD1 4.16Å; F153-L304 HydrophobicContact CG-CD1 3.9Å; F153-L304 HydrophobicContact CZ-CD1 3.77Å; F153-L374 WeakPolarHBondContact CZ-O 3.36Å; F153-N377 VanDerWaalsContact CE2-C 3.48Å; F153-N377 HydrophobicContact CE2-CB 3.95Å; F153-N377 HydrophobicContact CZ-CB 4.24Å; F153-E378 HydrophobicContact CD1-CB 4.41Å; F153-E378 HydrophobicContact CE1-CB 3.66Å; F153-E378 HydrophobicContact CE1-CG 4.12Å; F153-E378 HydrophobicContact CE2-CB 4.45Å; F153-E378 VanDerWaalsContact CZ-CA 3.47Å; F153-E378 HydrophobicContact CZ-CB 3.7Å; F153-E378 VanDerWaalsContact CZ-N 3.29Å; F153-W383 AromaticContact CD2-CZ2 3.95Å; F153-W383 HydrophobicContact CD2-CZ2 3.95Å; F153-W383 AromaticContact CE2-CH2 3.73Å; F153-W383 HydrophobicContact CE2-CH2 3.73Å; F153-W383 AromaticContact CE2-CZ2 3.46Å; F153-W383 HydrophobicContact CE2-CZ2 3.46Å; F153-W383 VanDerWaalsContact CE2-CZ2 3.46Å; F153-W383 HydrophobicContact CZ-CH2 4.23Å; F153-W383 HydrophobicContact CZ-CZ2 4.39Å
154Y97.9Very high95.3Very high47 Ų4755.4 Ų55.418%0.18429%0.285CS..EExtended strand (participates in β ladder)trans-140117.2-179.8-60.8-86.6000111.5L151 P152 Q210 P260 V296 R297 Q298L151-Y154 HydrophobicContact CB-CD2 3.86Å; L151-Y154 HydrophobicContact CD1-CD2 4.2Å; L151-Y154 PolarHBondContact O-N 2.97Å; P152-Y154 VanDerWaalsContact C-N 3.31Å; P152-Y154 PolarHBondContact O-N 2.8Å; Y154-Q210 VanDerWaalsContact CE1-NE2 3.3Å; Y154-P260 HydrophobicContact CE2-CG 4.46Å; Y154-V296 HydrophobicContact CD1-CB 4.28Å; Y154-V296 HydrophobicContact CD1-CG2 3.72Å; Y154-V296 HydrophobicContact CE1-CG2 4.41Å; Y154-R297 WeakPolarHBondContact CA-O 3.44Å; Y154-Q298 HydrophobicContact CD1-CB 3.99Å; Y154-Q298 HydrophobicContact CD1-CG 4.3Å; Y154-Q298 HydrophobicContact CE1-CB 3.77Å; Y154-Q298 HydrophobicContact CE1-CG 3.8Å
155D98.1Very high96.2Very high46 Ų4655 Ų5525%0.24628%0.282CS..EExtended strand (participates in β ladder)trans-75.7134.2161.3-67.5-34.1000108.8L157 V296 R297 R307D155-L157 HydrophobicContact CB-CD2 4.48Å; D155-V296 CarbonylContact O-C 3.54Å; D155-V296 WeakPolarHBondContact O-CA 3.38Å; D155-V296 VanDerWaalsContact O-CB 3.32Å; D155-V296 WeakPolarHBondContact O-CB 3.5Å; D155-R297 HydrophobicContact CB-CB 4.32Å; D155-R297 PolarHBondContact N-O 3.29Å; D155-R297 PolarHBondContact O-N 3.32Å; D155-R307 VanDerWaalsContact CG-NH2 3.31Å; D155-R307 IonicContact OD1-CZ 3.27Å; D155-R307 IonicContact OD1-NH1 2.69Å; D155-R307 PolarHBondContact OD1-NH1 3.4Å; D155-R307 IonicContact OD1-NH2 3.11Å; D155-R307 PolarHBondContact OD1-NH2 3.37Å; D155-R307 VanDerWaalsContact OD1-NH2 3.11Å; D155-R307 IonicContact OD2-CZ 3.07Å; D155-R307 IonicContact OD2-NH1 2.81Å; D155-R307 IonicContact OD2-NH2 2.7Å; D155-R307 PolarHBondContact OD2-NH2 2.94Å
156V98.4Very high96.6Very high79 Ų7948.3 Ų48.348%0.47925%0.246SC..EExtended strand (participates in β ladder)trans-80.6120.4166.4179.80000108.2V159 Y294 V296V156-V159 HydrophobicContact CG1-CG2 4.46Å; V156-Y294 HydrophobicContact CG1-CD1 3.79Å; V156-Y294 HydrophobicContact CG1-CG 4.5Å; V156-Y294 HydrophobicContact CG2-CD1 4.4Å; V156-V296 HydrophobicContact CG2-CG1 4.42Å
157L98.3Very high96.3Very high67 Ų6750.8 Ų50.835%0.35126%0.261SS..EExtended strand (participates in β ladder)trans-91.5-38.4175-55.3-176.8000111.3D155 V207 L295 R297D155-L157 HydrophobicContact CB-CD2 4.48Å; L157-V207 HydrophobicContact CD1-CG1 3.84Å; L157-V207 HydrophobicContact CD1-CG2 4.17Å; L157-L295 HydrophobicContact CB-CB 4.42Å; L157-L295 HydrophobicContact CB-CD2 4.2Å; L157-L295 HydrophobicContact CB-CG 4.21Å; L157-L295 HydrophobicContact CD1-CD2 4.38Å; L157-L295 HydrophobicContact CD1-CG 4.32Å; L157-L295 PolarHBondContact N-O 2.98Å; L157-R297 HydrophobicContact CD1-CB 4.22Å; L157-R297 HydrophobicContact CD2-CB 4.18Å; L157-R297 HydrophobicContact CG-CB 4.31Å
158D98.3Very high95.8Very high71 Ų7146.6 Ų46.638%0.3824%0.242SC..EExtended strand (participates in β ladder)trans-158161.9178.8-157.1-6000112.3Q187 Y294 L295D158-Q187 PolarHBondContact OD2-NE2 2.86Å; D158-Y294 CarbonylContact O-C 3.59Å; D158-Y294 WeakPolarHBondContact O-CA 3.45Å; D158-L295 HydrophobicContact CB-CB 4.04Å; D158-L295 PolarHBondContact N-O 2.9Å; D158-L295 PolarHBondContact O-N 2.86Å
159V98.3Very high95Very high59 Ų5947.9 Ų47.936%0.35825%0.253SS..EExtended strand (participates in β ladder)trans-110.483.5-179.7-171.40000109.9V156 I161 K162 Y294V156-V159 HydrophobicContact CG1-CG2 4.46Å; V159-I161 VanDerWaalsContact C-N 3.31Å; V159-I161 PolarHBondContact O-N 2.88Å; V159-K162 HydrophobicContact CG1-CB 4.49Å; V159-K162 HydrophobicContact CG1-CG 4.07Å; V159-Y294 HydrophobicContact CB-CD1 4.37Å; V159-Y294 HydrophobicContact CB-CE1 4.43Å; V159-Y294 HydrophobicContact CG1-CD1 4.22Å; V159-Y294 HydrophobicContact CG1-CE1 3.94Å; V159-Y294 HydrophobicContact CG2-CD1 4Å; V159-Y294 HydrophobicContact CG2-CE1 3.96Å
160L98.3Very high94Very high28 Ų2849.8 Ų49.815%0.14728%0.277CS..EExtended strand (participates in β ladder)trans-62.9-33.5-177.5-58.5176.1000113.4F181 L183 V209 V293 L295L160-F181 HydrophobicContact CB-CD2 4.2Å; L160-F181 HydrophobicContact CD1-CD2 4.07Å; L160-F181 HydrophobicContact CD1-CE2 4.04Å; L160-L183 HydrophobicContact CD1-CD2 3.75Å; L160-L183 HydrophobicContact CD2-CD2 4.03Å; L160-V209 HydrophobicContact CD1-CG1 4.04Å; L160-V209 HydrophobicContact CD1-CG2 4.16Å; L160-V293 HydrophobicContact CB-CB 4.37Å; L160-V293 HydrophobicContact CB-CG1 4.15Å; L160-V293 HydrophobicContact CD1-CG1 4.28Å; L160-V293 PolarHBondContact N-O 3.46Å; L160-L295 HydrophobicContact CD1-CB 4.17Å; L160-L295 HydrophobicContact CG-CB 4.25Å
161I98Very high93.2Very high18 Ų1852 Ų529%0.09229%0.287CS..EExtended strand (participates in β ladder)trans-139.2116.8167.5-55.5-174.5000108V159 F179 F181 M291 S292 V293V159-I161 VanDerWaalsContact C-N 3.31Å; V159-I161 PolarHBondContact O-N 2.88Å; I161-F179 HydrophobicContact CD1-CB 3.92Å; I161-F181 HydrophobicContact CD1-CB 4.07Å; I161-F181 HydrophobicContact CD1-CD1 4.11Å; I161-F181 HydrophobicContact CD1-CG 4.48Å; I161-F181 HydrophobicContact CG1-CB 3.85Å; I161-F181 HydrophobicContact CG1-CG 4.49Å; I161-M291 HydrophobicContact CD1-CE 4.46Å; I161-M291 HydrophobicContact CG2-SD 3.95Å; I161-S292 WeakPolarHBondContact O-CA 3.31Å; I161-V293 HydrophobicContact CB-CB 3.88Å; I161-V293 HydrophobicContact CB-CG2 4.01Å; I161-V293 HydrophobicContact CD1-CB 4.34Å; I161-V293 HydrophobicContact CD1-CG2 3.84Å; I161-V293 HydrophobicContact CG1-CB 3.98Å; I161-V293 HydrophobicContact CG1-CG2 4.02Å; I161-V293 PolarHBondContact N-O 2.97Å; I161-V293 PolarHBondContact O-N 3.1Å
162K96.8Very high92.5Very high143 Ų14356.3 Ų56.362%0.62231%0.306SS*.EExtended strand (participates in β ladder)trans-58.3155.8173.6-67.7-175179.5-177.30111.1V159 T164V159-K162 HydrophobicContact CG1-CB 4.49Å; V159-K162 HydrophobicContact CG1-CG 4.07Å; K162-T164 PolarHBondContact O-N 2.99Å; K162-T164 VanDerWaalsContact O-N 3.12Å; K162-T164 PolarHBondContact O-OG1 3.37Å
163P96.8Very high92.1Very high25 Ų2564 Ų6416%0.16233%0.332CS..EExtended strand (participates in β ladder)trans-41.5121.8168.1-30.936.8000111.7H143 V146 M291H143-P163 WeakPolarHBondContact CA-O 3.36Å; H143-P163 PolarHBondContact ND1-O 2.9Å; V146-P163 WeakPolarHBondContact O-CB 3.2Å; V146-P163 WeakPolarHBondContact O-CG 3.5Å; P163-M291 CarbonylContact C-O 3.51Å; P163-M291 WeakPolarHBondContact CA-O 3.41Å
164T96.3Very high91.8Very high9 Ų969 Ų696%0.05536%0.355CS..EExtended strand (participates in β ladder)trans-140126.4-170.8-58.70000110V142 H143 K162 L166 F179 S290 M291V142-T164 HydrophobicContact CG1-CG2 4.49Å; V142-T164 CarbonylContact O-C 3.54Å; V142-T164 VanDerWaalsContact O-CA 3.29Å; V142-T164 WeakPolarHBondContact O-CA 3.42Å; V142-T164 WeakPolarHBondContact O-CG2 3.37Å; H143-T164 PolarHBondContact CE1-OG1 2.76Å; H143-T164 PolarHBondContact ND1-OG1 3.33Å; H143-T164 VanDerWaalsContact ND1-OG1 3.14Å; K162-T164 PolarHBondContact O-N 2.99Å; K162-T164 VanDerWaalsContact O-N 3.12Å; K162-T164 PolarHBondContact O-OG1 3.37Å; T164-L166 PolarHBondContact O-N 2.83Å; T164-F179 HydrophobicContact CG2-CD1 4.46Å; T164-F179 HydrophobicContact CG2-CE1 3.81Å; T164-S290 PolarHBondContact N-OG 2.87Å; T164-S290 WeakPolarHBondContact O-CA 3.44Å; T164-S290 PolarHBondContact O-OG 2.73Å; T164-M291 PolarHBondContact N-O 3.32Å; T164-M291 PolarHBondContact O-N 3.46Å
165S94.6Very high91.6Very high4 Ų467.8 Ų67.83%0.02835%0.35CS..EExtended strand (participates in β ladder)trans-63.1131.8-175.2-71.50000113P141 V142 P144 V167 K177P141-S165 VanDerWaalsContact O-CB 3.28Å; P141-S165 WeakPolarHBondContact O-CB 3.3Å; P141-S165 PolarHBondContact O-OG 2.88Å; V142-S165 PolarHBondContact O-N 2.87Å; P144-S165 WeakPolarHBondContact CD-OG 3.49Å; P144-S165 WeakPolarHBondContact CG-OG 3.39Å; S165-V167 PolarHBondContact O-N 3.24Å; S165-K177 PolarHBondContact O-NZ 2.82Å
166L94Very high91.4Very high1 Ų169.9 Ų69.91%0.00536%0.359CS..  trans-79.271.9162.5-59.2-167.3000108.5T164 Q168 F179 L213 P227 I279 W281 Y289 M291T164-L166 PolarHBondContact O-N 2.83Å; L166-Q168 WeakPolarHBondContact O-CG 3.14Å; L166-F179 HydrophobicContact CD2-CE2 4.02Å; L166-F179 HydrophobicContact CD2-CZ 3.55Å; L166-L213 HydrophobicContact CD1-CD2 4.15Å; L166-P227 HydrophobicContact CD1-CG 4.37Å; L166-I279 HydrophobicContact CD1-CG2 4.38Å; L166-W281 HydrophobicContact CB-CH2 3.89Å; L166-W281 HydrophobicContact CB-CZ2 3.64Å; L166-W281 HydrophobicContact CB-CZ3 4.45Å; L166-W281 HydrophobicContact CD1-CD2 4.37Å; L166-W281 HydrophobicContact CD1-CE3 4.42Å; L166-W281 HydrophobicContact CD2-CH2 4.5Å; L166-W281 HydrophobicContact CD2-CZ3 4.44Å; L166-W281 WeakPolarHBondContact O-CZ2 3.18Å; L166-Y289 WeakPolarHBondContact CB-O 3.47Å; L166-Y289 PolarHBondContact N-O 3.27Å; L166-M291 HydrophobicContact CD2-CB 4.03Å; L166-M291 HydrophobicContact CD2-CG 3.77Å; L166-M291 HydrophobicContact CG-CB 4.5Å
167V85.4Confident91.3Very high55 Ų5568.6 Ų68.633%0.33335%0.347SS..  trans-54134.5178.7-175.60000109.9P140 S165 W281P140-V167 HydrophobicContact CG-CG1 4.15Å; P140-V167 HydrophobicContact CG-CG2 4.31Å; S165-V167 PolarHBondContact O-N 3.24Å; V167-W281 WeakPolarHBondContact O-CZ2 3.46Å
168Q82.8Confident91.2Very high45 Ų4570.9 Ų70.921%0.2135%0.354CS..  trans-113.1127.1-174.8-53.3-178.122.900110.3L166 W281 K287L166-Q168 WeakPolarHBondContact O-CG 3.14Å; Q168-W281 HydrophobicContact CG-CZ2 4.26Å; Q168-K287 PolarHBondContact NE2-O 2.96Å
169S79.9Confident91.2Very high50 Ų5068.1 Ų68.135%0.3534%0.339SS..  trans-74.7127.6163.9174.90000109.9I171 Q175S169-I171 PolarHBondContact O-N 2.92Å; S169-I171 PolarHBondContact OG-N 3.1Å; S169-Q175 PolarHBondContact O-NE2 3.29Å
170S74.3Confident91.2Very high125 Ų12570.9 Ų70.987%0.87435%0.35SS*.THydrogen-bonded Turntrans-65.2-18.2177.251.40000114
171I78.3Confident91.2Very high149 Ų14970 Ų7076%0.76435%0.345SS*.THydrogen-bonded Turntrans-83.2-26.5-173.2-56.5174000111.9S169S169-I171 PolarHBondContact O-N 2.92Å; S169-I171 PolarHBondContact OG-N 3.1Å
172Q83.4Confident91.3Very high125 Ų12572 Ų7258%0.58437%0.365SS*.  trans-120.7134.4-171.2-65.1-176.6-7.900112.1F174 Q175 S283Q172-F174 WeakPolarHBondContact CB-O 3.43Å; Q172-Q175 PolarHBondContact O-NE2 3.06Å; Q172-S283 PolarHBondContact O-OG 3.48Å
173R87.4Confident91.3Very high182 Ų18265.4 Ų65.469%0.68734%0.336SS*.SBendtrans-69.4-39.7175.3-177.9179.9176.51130.3112A282 S283R173-A282 CarbonylContact O-C 3.46Å; R173-A282 VanDerWaalsContact O-CA 3.26Å; R173-A282 WeakPolarHBondContact O-CA 3.42Å; R173-S283 PolarHBondContact O-N 3.01Å; R173-S283 PolarHBondContact O-OG 3.28Å; R173-S283 VanDerWaalsContact O-OG 3.1Å
174F92.4Very high91.4Very high122 Ų12267.3 Ų67.354%0.53535%0.348SS..EExtended strand (participates in β ladder)trans-98.1140.9176.3-70-78.7000110.1Q172 W281 A282Q172-F174 WeakPolarHBondContact CB-O 3.43Å; F174-W281 WeakPolarHBondContact CA-O 3.47Å; F174-A282 HydrophobicContact CD1-CB 4.2Å; F174-A282 HydrophobicContact CE1-CB 4.05Å
175Q93.8Very high91.5Very high20 Ų2070.4 Ų70.49%0.09337%0.367CS..EExtended strand (participates in β ladder)trans-125.2145.9-179.1-53.4-72.3-45.600108S169 Q172 S280 W281S169-Q175 PolarHBondContact O-NE2 3.29Å; Q172-Q175 PolarHBondContact O-NE2 3.06Å; Q175-S280 CarbonylContact O-C 3.44Å; Q175-S280 WeakPolarHBondContact O-CA 3.21Å; Q175-W281 HydrophobicContact CB-CD2 3.79Å; Q175-W281 HydrophobicContact CB-CE3 3.94Å; Q175-W281 HydrophobicContact CB-CH2 3.61Å; Q175-W281 HydrophobicContact CB-CZ2 3.45Å; Q175-W281 VanDerWaalsContact CB-CZ2 3.45Å; Q175-W281 HydrophobicContact CB-CZ3 3.86Å; Q175-W281 HydrophobicContact CG-CD2 4.47Å; Q175-W281 HydrophobicContact CG-CH2 4.44Å; Q175-W281 HydrophobicContact CG-CZ2 3.83Å; Q175-W281 PolarHBondContact N-O 2.8Å; Q175-W281 PolarHBondContact O-N 3.38Å
176E94.6Very high91.7Very high91 Ų9175.3 Ų75.343%0.42539%0.39SS..EExtended strand (participates in β ladder)trans-132.8135.2166.4-169.7169.6-14900108.8F178 K233 S278 I279 S280E176-F178 HydrophobicContact CG-CE2 4.23Å; E176-F178 HydrophobicContact CG-CZ 4.14Å; E176-K233 IonicContact OE1-NZ 3.67Å; E176-K233 PolarHBondContact OE1-NZ 3.44Å; E176-S278 WeakPolarHBondContact CG-OG 3.47Å; E176-S278 PolarHBondContact OE1-OG 3.19Å; E176-I279 WeakPolarHBondContact CA-O 3.4Å; E176-S280 PolarHBondContact OE1-OG 3.24Å
177K95.8Very high91.9Very high52 Ų5275.9 Ų75.923%0.22639%0.393CS..EExtended strand (participates in β ladder)trans-137.9135.7177-174.3169.7170.4177.40110.5S165 F179 I279 W281S165-K177 PolarHBondContact O-NZ 2.82Å; K177-F179 HydrophobicContact CB-CE2 3.92Å; K177-F179 HydrophobicContact CB-CZ 4.14Å; K177-F179 HydrophobicContact CD-CE1 4.17Å; K177-F179 HydrophobicContact CD-CE2 4.22Å; K177-F179 HydrophobicContact CD-CZ 3.58Å; K177-F179 HydrophobicContact CG-CE1 4.35Å; K177-F179 HydrophobicContact CG-CE2 3.74Å; K177-F179 HydrophobicContact CG-CZ 3.62Å; K177-F179 WeakPolarHBondContact O-CE2 3.31Å; K177-I279 PolarHBondContact N-O 2.79Å; K177-I279 PolarHBondContact O-N 3.31Å; K177-W281 HydrophobicContact CB-CH2 4.01Å; K177-W281 HydrophobicContact CB-CZ3 3.85Å
178F96.8Very high92.5Very high114 Ų11474.2 Ų74.250%0.538%0.383SS..EExtended strand (participates in β ladder)trans-99.2144.8-179.9-59.5-89.3000111.1E176 I277E176-F178 HydrophobicContact CG-CE2 4.23Å; E176-F178 HydrophobicContact CG-CZ 4.14Å; F178-I277 CarbonylContact C-O 3.55Å; F178-I277 WeakPolarHBondContact CA-O 3.45Å
179F98.2Very high93.2Very high14 Ų1479.1 Ų79.16%0.06140%0.399CS..EExtended strand (participates in β ladder)trans-135.2146.4179.3-57.6-93.1000108.9I161 T164 L166 K177 Q276 I277 I279 M291I161-F179 HydrophobicContact CD1-CB 3.92Å; T164-F179 HydrophobicContact CG2-CD1 4.46Å; T164-F179 HydrophobicContact CG2-CE1 3.81Å; L166-F179 HydrophobicContact CD2-CE2 4.02Å; L166-F179 HydrophobicContact CD2-CZ 3.55Å; K177-F179 HydrophobicContact CB-CE2 3.92Å; K177-F179 HydrophobicContact CB-CZ 4.14Å; K177-F179 HydrophobicContact CD-CE1 4.17Å; K177-F179 HydrophobicContact CD-CE2 4.22Å; K177-F179 HydrophobicContact CD-CZ 3.58Å; K177-F179 HydrophobicContact CG-CE1 4.35Å; K177-F179 HydrophobicContact CG-CE2 3.74Å; K177-F179 HydrophobicContact CG-CZ 3.62Å; K177-F179 WeakPolarHBondContact O-CE2 3.31Å; F179-Q276 WeakPolarHBondContact O-CA 3.43Å; F179-I277 HydrophobicContact CB-CB 4.39Å; F179-I277 PolarHBondContact N-O 2.74Å; F179-I277 PolarHBondContact O-N 2.82Å; F179-I279 HydrophobicContact CD2-CD1 4.26Å; F179-I279 HydrophobicContact CD2-CG1 4.27Å; F179-I279 HydrophobicContact CE2-CB 4.31Å; F179-I279 HydrophobicContact CE2-CD1 4Å; F179-I279 HydrophobicContact CE2-CG1 4.14Å; F179-M291 HydrophobicContact CB-CE 4.06Å; F179-M291 HydrophobicContact CD1-CE 3.89Å; F179-M291 HydrophobicContact CD1-CG 4.14Å; F179-M291 HydrophobicContact CD1-SD 3.56Å; F179-M291 VanDerWaalsContact CD1-SD 3.56Å; F179-M291 HydrophobicContact CD2-CE 3.81Å; F179-M291 HydrophobicContact CD2-SD 4.41Å; F179-M291 HydrophobicContact CE1-CE 4.29Å; F179-M291 HydrophobicContact CE1-CG 3.59Å; F179-M291 HydrophobicContact CE1-SD 3.63Å; F179-M291 HydrophobicContact CE2-CE 4.22Å; F179-M291 HydrophobicContact CE2-CG 4.06Å; F179-M291 HydrophobicContact CE2-SD 4.48Å; F179-M291 HydrophobicContact CG-CE 3.63Å; F179-M291 HydrophobicContact CG-SD 3.98Å; F179-M291 HydrophobicContact CZ-CE 4.45Å; F179-M291 HydrophobicContact CZ-CG 3.56Å; F179-M291 HydrophobicContact CZ-SD 4.12Å
180I98.1Very high94Very high116 Ų11679 Ų7960%0.59539%0.393SS*.EExtended strand (participates in β ladder)trans-131.4138-177.3-60178.8000108.7P274 N275 Q276I180-P274 HydrophobicContact CG2-CB 3.78Å; I180-N275 WeakPolarHBondContact CA-O 3.42Å; I180-Q276 HydrophobicContact CG1-CG 4.43Å
181F98.5Very high95.1Very high9 Ų973.1 Ų73.14%0.03935%0.352CS..EExtended strand (participates in β ladder)trans-141.9157.6168.669.6-80.2000110.5L160 I161 L183 V209 V267 N275 I277L160-F181 HydrophobicContact CB-CD2 4.2Å; L160-F181 HydrophobicContact CD1-CD2 4.07Å; L160-F181 HydrophobicContact CD1-CE2 4.04Å; I161-F181 HydrophobicContact CD1-CB 4.07Å; I161-F181 HydrophobicContact CD1-CD1 4.11Å; I161-F181 HydrophobicContact CD1-CG 4.48Å; I161-F181 HydrophobicContact CG1-CB 3.85Å; I161-F181 HydrophobicContact CG1-CG 4.49Å; F181-L183 HydrophobicContact CD2-CD2 4.38Å; F181-L183 HydrophobicContact CE2-CD2 4.08Å; F181-L183 HydrophobicContact CE2-CG 4.26Å; F181-V209 HydrophobicContact CE2-CG1 4.18Å; F181-V209 HydrophobicContact CZ-CG1 3.93Å; F181-V267 HydrophobicContact CZ-CG1 4.38Å; F181-V267 HydrophobicContact CZ-CG2 4.1Å; F181-N275 HydrophobicContact CD1-CB 3.86Å; F181-N275 HydrophobicContact CD2-CB 4.23Å; F181-N275 HydrophobicContact CE1-CB 3.45Å; F181-N275 VanDerWaalsContact CE1-CB 3.45Å; F181-N275 HydrophobicContact CE2-CB 3.85Å; F181-N275 HydrophobicContact CG-CB 4.24Å; F181-N275 HydrophobicContact CZ-CB 3.44Å; F181-N275 VanDerWaalsContact CZ-CB 3.44Å; F181-N275 PolarHBondContact N-O 2.92Å; F181-N275 PolarHBondContact O-N 2.97Å; F181-I277 HydrophobicContact CD1-CD1 4.36Å; F181-I277 HydrophobicContact CE1-CD1 3.93Å; F181-I277 HydrophobicContact CE1-CG1 4.08Å
182A98.3Very high95.9Very high62 Ų6269 Ų6951%0.51234%0.335SS..  trans-116.8156.1170.100000109.3
183L98.5Very high96.5Very high4 Ų469.8 Ų69.82%0.02134%0.342CS..  trans-103.4140170.6-66.3174.9000109.4L160 F181 Q187 V188 I191 V209 V267 L269 S271L160-L183 HydrophobicContact CD1-CD2 3.75Å; L160-L183 HydrophobicContact CD2-CD2 4.03Å; F181-L183 HydrophobicContact CD2-CD2 4.38Å; F181-L183 HydrophobicContact CE2-CD2 4.08Å; F181-L183 HydrophobicContact CE2-CG 4.26Å; L183-Q187 VanDerWaalsContact CA-OE1 3.26Å; L183-Q187 HydrophobicContact CB-CB 4.48Å; L183-Q187 HydrophobicContact CD2-CB 4.36Å; L183-V188 HydrophobicContact CB-CG2 3.65Å; L183-V188 HydrophobicContact CD1-CG2 4.08Å; L183-I191 HydrophobicContact CD1-CD1 3.97Å; L183-V209 HydrophobicContact CD2-CG2 4.36Å; L183-V267 HydrophobicContact CD1-CG1 3.82Å; L183-L269 HydrophobicContact CD1-CD2 4.15Å; L183-S271 WeakPolarHBondContact O-CA 3.46Å; L183-S271 WeakPolarHBondContact O-CB 3.2Å
184T98.5Very high96.9Very high65 Ų6561.7 Ų61.740%0.39931%0.313SS..  trans-73.3158171.7810000110.5Q186 Q187 V188T184-Q186 PolarHBondContact O-N 3.27Å; T184-Q186 VanDerWaalsContact O-N 3.11Å; T184-Q186 PolarHBondContact OG1-N 2.91Å; T184-Q187 HydrophobicContact CG2-CG 4.43Å; T184-Q187 PolarHBondContact O-N 3.01Å; T184-Q187 VanDerWaalsContact O-N 3.12Å; T184-Q187 WeakPolarHBondContact OG1-CG 3.41Å; T184-Q187 PolarHBondContact OG1-N 3.37Å; T184-V188 WeakPolarHBondContact O-CG2 3.46Å; T184-V188 PolarHBondContact O-N 3.11Å
185P98.4Very high96.7Very high73 Ų7363 Ų6347%0.47432%0.315SS..Hα-helixtrans-56.3-28.1175.4-24.332.8000113.5R189P185-R189 WeakPolarHBondContact O-CG 3.28Å; P185-R189 PolarHBondContact O-N 2.96Å; P185-R189 PolarHBondContact O-NH1 3.43Å
186Q98.3Very high96.3Very high107 Ų10766.3 Ų66.350%0.533%0.333SS..Hα-helixtrans-71.7-50.4174.6174.6171.9-18.600111.7T184 V188 R189 E190T184-Q186 PolarHBondContact O-N 3.27Å; T184-Q186 VanDerWaalsContact O-N 3.11Å; T184-Q186 PolarHBondContact OG1-N 2.91Å; Q186-V188 VanDerWaalsContact C-N 3.26Å; Q186-V188 PolarHBondContact O-N 3.48Å; Q186-R189 WeakPolarHBondContact O-CB 2.84Å; Q186-R189 PolarHBondContact O-N 3.06Å; Q186-E190 HydrophobicContact CG-CG 4.37Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.27Å; Q186-E190 PolarHBondContact NE2-OE1 3.12Å; Q186-E190 PolarHBondContact O-N 3.06Å
187Q98.4Very high95.5Very high13 Ų1367.7 Ų67.76%0.06134%0.338CS..Hα-helixtrans-59.3-38.7179.5-62169-17.900111.6D158 L183 T184 E190 I191 L295D158-Q187 PolarHBondContact OD2-NE2 2.86Å; L183-Q187 VanDerWaalsContact CA-OE1 3.26Å; L183-Q187 HydrophobicContact CB-CB 4.48Å; L183-Q187 HydrophobicContact CD2-CB 4.36Å; T184-Q187 HydrophobicContact CG2-CG 4.43Å; T184-Q187 PolarHBondContact O-N 3.01Å; T184-Q187 VanDerWaalsContact O-N 3.12Å; T184-Q187 WeakPolarHBondContact OG1-CG 3.41Å; T184-Q187 PolarHBondContact OG1-N 3.37Å; Q187-E190 PolarHBondContact O-N 3.17Å; Q187-I191 WeakPolarHBondContact O-CG1 3.49Å; Q187-I191 PolarHBondContact O-N 3.28Å; Q187-L295 HydrophobicContact CB-CD2 3.9Å; Q187-L295 HydrophobicContact CG-CD2 3.65Å
188V98.1Very high94.5Very high21 Ų2166.4 Ų66.413%0.12733%0.334CS..Hα-helixtrans-60.7-46.4173.4173.90000111.3L183 T184 Q186 C192 L269L183-V188 HydrophobicContact CB-CG2 3.65Å; L183-V188 HydrophobicContact CD1-CG2 4.08Å; T184-V188 WeakPolarHBondContact O-CG2 3.46Å; T184-V188 PolarHBondContact O-N 3.11Å; Q186-V188 VanDerWaalsContact C-N 3.26Å; Q186-V188 PolarHBondContact O-N 3.48Å; V188-C192 WeakPolarHBondContact O-CB 3.26Å; V188-C192 PolarHBondContact O-N 2.84Å; V188-C192 PolarHBondContact O-SG 3.25Å; V188-L269 HydrophobicContact CG1-CB 4.39Å; V188-L269 WeakPolarHBondContact CG1-O 3.17Å
189R97.3Very high93.2Very high148 Ų14864 Ų6456%0.55833%0.329SS*.Hα-helixtrans-61.3-47.2175.5-72.8-174.4-54.5-98.37.6111.5P185 Q186 I191 C192 I193P185-R189 WeakPolarHBondContact O-CG 3.28Å; P185-R189 PolarHBondContact O-N 2.96Å; P185-R189 PolarHBondContact O-NH1 3.43Å; Q186-R189 WeakPolarHBondContact O-CB 2.84Å; Q186-R189 PolarHBondContact O-N 3.06Å; R189-I191 PolarHBondContact O-N 3.13Å; R189-C192 PolarHBondContact O-N 3.34Å; R189-I193 WeakPolarHBondContact O-CG1 3.18Å; R189-I193 WeakPolarHBondContact O-CG2 3.47Å; R189-I193 PolarHBondContact O-N 2.85Å
190E97.2Very high91.8Very high48 Ų4867 Ų6722%0.22436%0.364CS..Hα-helixtrans-59.3-44.4-179.3-75.2-176.9-145.700112.4Q186 Q187 S194 V207Q186-E190 HydrophobicContact CG-CG 4.37Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.27Å; Q186-E190 PolarHBondContact NE2-OE1 3.12Å; Q186-E190 PolarHBondContact O-N 3.06Å; Q187-E190 PolarHBondContact O-N 3.17Å; E190-S194 WeakPolarHBondContact O-CB 3.4Å; E190-S194 PolarHBondContact O-N 3.08Å; E190-V207 HydrophobicContact CB-CG1 4.49Å
191I97.1Very high90.5Very high0 Ų064.2 Ų64.20%036%0.364CS..Hα-helixtrans-59.5-55.4171.9-64.4162.5000109.7L183 Q187 R189 I193 S194 Y205 V207 V209 T264 L269 L295L183-I191 HydrophobicContact CD1-CD1 3.97Å; Q187-I191 WeakPolarHBondContact O-CG1 3.49Å; Q187-I191 PolarHBondContact O-N 3.28Å; R189-I191 PolarHBondContact O-N 3.13Å; I191-I193 VanDerWaalsContact C-N 3.34Å; I191-I193 PolarHBondContact O-N 3.29Å; I191-S194 WeakPolarHBondContact O-CB 3.4Å; I191-S194 PolarHBondContact O-N 2.84Å; I191-S194 PolarHBondContact O-OG 3.32Å; I191-Y205 HydrophobicContact CG2-CD1 4.16Å; I191-Y205 HydrophobicContact CG2-CD2 4.45Å; I191-Y205 HydrophobicContact CG2-CG 4.08Å; I191-Y205 WeakPolarHBondContact O-CD1 3.49Å; I191-V207 HydrophobicContact CG1-CG1 3.93Å; I191-V209 HydrophobicContact CD1-CG2 3.98Å; I191-T264 HydrophobicContact CG2-CG2 3.84Å; I191-L269 HydrophobicContact CB-CD2 4.27Å; I191-L269 HydrophobicContact CD1-CD2 3.8Å; I191-L269 HydrophobicContact CG2-CD1 3.93Å; I191-L269 HydrophobicContact CG2-CD2 3.77Å; I191-L295 HydrophobicContact CD1-CD1 3.83Å; I191-L295 HydrophobicContact CG1-CD1 3.88Å
192C95.3Very high89.5Confident62 Ų6273.5 Ų73.542%0.41940%0.399SS..Hα-helixtrans-58.7-37.8-173.8-73.50000114.4V188 R189V188-C192 WeakPolarHBondContact O-CB 3.26Å; V188-C192 PolarHBondContact O-N 2.84Å; V188-C192 PolarHBondContact O-SG 3.25Å; R189-C192 PolarHBondContact O-N 3.34Å
193I95.9Very high88.6Confident143 Ų14378.3 Ų78.373%0.73340%0.404SS*.Hα-helixtrans-81.6-16.3178.470.5-175.6000113.5R189 I191 R195R189-I193 WeakPolarHBondContact O-CG1 3.18Å; R189-I193 WeakPolarHBondContact O-CG2 3.47Å; R189-I193 PolarHBondContact O-N 2.85Å; I191-I193 VanDerWaalsContact C-N 3.34Å; I191-I193 PolarHBondContact O-N 3.29Å; I193-R195 PolarHBondContact O-N 2.75Å; I193-R195 VanDerWaalsContact O-N 3.08Å
194S95.5Very high88Confident11 Ų1180.8 Ų80.88%0.07742%0.417CS..  trans-76.610.6-17474.70000115.6E190 I191 D196 T206 V207E190-S194 WeakPolarHBondContact O-CB 3.4Å; E190-S194 PolarHBondContact O-N 3.08Å; I191-S194 WeakPolarHBondContact O-CB 3.4Å; I191-S194 PolarHBondContact O-N 2.84Å; I191-S194 PolarHBondContact O-OG 3.32Å; S194-D196 PolarHBondContact O-N 2.72Å; S194-T206 WeakPolarHBondContact CB-OG1 3.5Å; S194-T206 PolarHBondContact O-N 2.82Å; S194-T206 PolarHBondContact O-OG1 2.56Å; S194-T206 PolarHBondContact OG-N 3.03Å; S194-V207 VanDerWaalsContact CB-N 3.33Å; S194-V207 PolarHBondContact OG-N 3.35Å
195R88.5Confident87.8Confident150 Ų15079.9 Ų79.957%0.56641%0.407SS*.EExtended strand (participates in β ladder)trans-81.2106.4-165.6-163.7177.5-175-178.51.2112.2I193 D204 Y205I193-R195 PolarHBondContact O-N 2.75Å; I193-R195 VanDerWaalsContact O-N 3.08Å; R195-D204 CarbonylContact C-O 3.5Å; R195-D204 WeakPolarHBondContact CA-O 3.42Å; R195-Y205 HydrophobicContact CB-CD1 3.78Å; R195-Y205 HydrophobicContact CB-CE1 3.83Å; R195-Y205 HydrophobicContact CG-CD1 4.01Å; R195-Y205 HydrophobicContact CG-CE1 3.91Å
196D84.4Confident87.7Confident89 Ų8977.7 Ų77.748%0.47639%0.392SS..EExtended strand (participates in β ladder)trans-137.3177.2-171.8-159.50.6000111.4S194 L198 R203 D204 T206S194-D196 PolarHBondContact O-N 2.72Å; D196-L198 PolarHBondContact O-N 3.49Å; D196-R203 VanDerWaalsContact O-CA 3.31Å; D196-R203 WeakPolarHBondContact O-CA 3.48Å; D196-D204 PolarHBondContact N-O 3.47Å; D196-D204 PolarHBondContact O-N 3.41Å; D196-D204 VanDerWaalsContact O-O 3.04Å; D196-T206 HydrophobicContact CB-CG2 3.91Å
197F77.6Confident87.7Confident120 Ų12072.6 Ų72.653%0.52637%0.368SS..EExtended strand (participates in β ladder)trans-81.1105.4176.6-64.9-87.4000111.2R203F197-R203 HydrophobicContact CD1-CG 3.65Å; F197-R203 HydrophobicContact CD2-CG 4.44Å; F197-R203 HydrophobicContact CE1-CG 3.63Å; F197-R203 HydrophobicContact CE2-CG 4.44Å; F197-R203 HydrophobicContact CG-CG 4.09Å; F197-R203 HydrophobicContact CZ-CG 4.06Å
198L75.9Confident87.6Confident26 Ų2672 Ų7214%0.13637%0.366CS..  trans-76.1159174.3-73.3-170.6000112.4D196 G200 G201 R202 D204 T206D196-L198 PolarHBondContact O-N 3.49Å; L198-G200 PolarHBondContact O-N 3.49Å; L198-G200 VanDerWaalsContact O-N 3.1Å; L198-G201 PolarHBondContact O-N 3.23Å; L198-R202 PolarHBondContact N-O 3.02Å; L198-D204 HydrophobicContact CD1-CB 3.73Å; L198-D204 HydrophobicContact CG-CB 4.09Å; L198-T206 HydrophobicContact CD2-CG2 3.89Å
199P68.3Low87.6Confident62 Ų6271 Ų7140%0.40336%0.36SS..THydrogen-bonded Turntrans-49.7116.9171.2-28.335.6000112E378P199-E378 HydrophobicContact CB-CG 4.4Å; P199-E378 HydrophobicContact CG-CG 3.96Å; P199-E378 WeakPolarHBondContact CG-OE1 3.4Å
200G69.3Low87.7Confident77 Ų7764.2 Ų64.279%0.79433%0.334SS*.THydrogen-bonded Turntrans110.81.4-168.600000114.7L198 R202L198-G200 PolarHBondContact O-N 3.49Å; L198-G200 VanDerWaalsContact O-N 3.1Å; G200-R202 VanDerWaalsContact C-N 3.28Å; G200-R202 PolarHBondContact O-N 2.62Å
201G72Confident87.8Confident58 Ų5861.9 Ų61.960%0.59832%0.323SS*.SBendtrans78.62.9167.300000115.5L198L198-G201 PolarHBondContact O-N 3.23Å
202R77.8Confident87.8Confident204 Ų20462.5 Ų62.577%0.7733%0.325SS*.  trans-84.7136.2174.6-64.5-173.3176.9-152.7-3110L198 G200 D204L198-R202 PolarHBondContact N-O 3.02Å; G200-R202 VanDerWaalsContact C-N 3.28Å; G200-R202 PolarHBondContact O-N 2.62Å; R202-D204 PolarHBondContact O-N 2.85Å
203R78.4Confident88Confident163 Ų16359.6 Ų59.662%0.61531%0.306SS*.EExtended strand (participates in β ladder)trans-77.1113.3168.1-82-171.9167-167.1-5.8110.3D196 F197D196-R203 VanDerWaalsContact O-CA 3.31Å; D196-R203 WeakPolarHBondContact O-CA 3.48Å; F197-R203 HydrophobicContact CD1-CG 3.65Å; F197-R203 HydrophobicContact CD2-CG 4.44Å; F197-R203 HydrophobicContact CE1-CG 3.63Å; F197-R203 HydrophobicContact CE2-CG 4.44Å; F197-R203 HydrophobicContact CG-CG 4.09Å; F197-R203 HydrophobicContact CZ-CG 4.06Å
204D86.8Confident88Confident56 Ų5652.8 Ų52.830%0.29927%0.271SS..EExtended strand (participates in β ladder)trans-141.6176.6-178-152.8-21.1000109.2R195 D196 L198 R202R195-D204 CarbonylContact C-O 3.5Å; R195-D204 WeakPolarHBondContact CA-O 3.42Å; D196-D204 PolarHBondContact N-O 3.47Å; D196-D204 PolarHBondContact O-N 3.41Å; D196-D204 VanDerWaalsContact O-O 3.04Å; L198-D204 HydrophobicContact CD1-CB 3.73Å; L198-D204 HydrophobicContact CG-CB 4.09Å; R202-D204 PolarHBondContact O-N 2.85Å
205Y93.6Very high88Confident46 Ų4653.4 Ų53.418%0.1827%0.273CS..EExtended strand (participates in β ladder)trans-83.8129.3-179.4-58-72000111.2I191 R195 V207 Q208 T264I191-Y205 HydrophobicContact CG2-CD1 4.16Å; I191-Y205 HydrophobicContact CG2-CD2 4.45Å; I191-Y205 HydrophobicContact CG2-CG 4.08Å; I191-Y205 WeakPolarHBondContact O-CD1 3.49Å; R195-Y205 HydrophobicContact CB-CD1 3.78Å; R195-Y205 HydrophobicContact CB-CE1 3.83Å; R195-Y205 HydrophobicContact CG-CD1 4.01Å; R195-Y205 HydrophobicContact CG-CE1 3.91Å; Y205-V207 VanDerWaalsContact CB-O 3.31Å; Y205-V207 WeakPolarHBondContact CB-O 3.34Å; Y205-Q208 WeakPolarHBondContact O-CG 3.31Å; Y205-Q208 PolarHBondContact O-NE2 3.47Å; Y205-T264 HydrophobicContact CD2-CG2 4.02Å
206T95.6Very high88.2Confident27 Ų2747.6 Ų47.617%0.16626%0.257CS..SBendtrans-79.2-23.2170.9580000111.8S194 D196 L198 R297 Q298S194-T206 WeakPolarHBondContact CB-OG1 3.5Å; S194-T206 PolarHBondContact O-N 2.82Å; S194-T206 PolarHBondContact O-OG1 2.56Å; S194-T206 PolarHBondContact OG-N 3.03Å; D196-T206 HydrophobicContact CB-CG2 3.91Å; L198-T206 HydrophobicContact CD2-CG2 3.89Å; T206-R297 CarbonylContact O-C 3.53Å; T206-R297 WeakPolarHBondContact O-CA 3.35Å; T206-Q298 PolarHBondContact O-N 2.99Å
207V97.9Very high88.6Confident0 Ų047.7 Ų47.70%025%0.254CS..EExtended strand (participates in β ladder)trans-99.1121.8166.5178.40000108.9L157 E190 I191 S194 Y205 L295 V296 R297L157-V207 HydrophobicContact CD1-CG1 3.84Å; L157-V207 HydrophobicContact CD1-CG2 4.17Å; E190-V207 HydrophobicContact CB-CG1 4.49Å; I191-V207 HydrophobicContact CG1-CG1 3.93Å; S194-V207 VanDerWaalsContact CB-N 3.33Å; S194-V207 PolarHBondContact OG-N 3.35Å; Y205-V207 VanDerWaalsContact CB-O 3.31Å; Y205-V207 WeakPolarHBondContact CB-O 3.34Å; V207-L295 HydrophobicContact CG1-CD1 3.79Å; V207-L295 HydrophobicContact CG1-CG 4.12Å; V207-V296 CarbonylContact C-O 3.55Å; V207-V296 VanDerWaalsContact CA-O 3.28Å; V207-V296 WeakPolarHBondContact CA-O 3.43Å; V207-R297 HydrophobicContact CG2-CB 4.47Å; V207-R297 HydrophobicContact CG2-CG 4.48Å
208Q97.6Very high89.3Confident2 Ų246.5 Ų46.51%0.00926%0.257CS..EExtended strand (participates in β ladder)trans-131.5151-165.2-64.3172.38.400111.7Y205 N262 T264 V296Y205-Q208 WeakPolarHBondContact O-CG 3.31Å; Y205-Q208 PolarHBondContact O-NE2 3.47Å; Q208-N262 VanDerWaalsContact CD-ND2 3.28Å; Q208-N262 PolarHBondContact OE1-ND2 2.95Å; Q208-T264 WeakPolarHBondContact CA-OG1 3.29Å; Q208-T264 WeakPolarHBondContact CB-OG1 3.17Å; Q208-V296 HydrophobicContact CB-CG2 3.99Å; Q208-V296 PolarHBondContact N-O 2.77Å; Q208-V296 PolarHBondContact O-N 3.34Å
209V98.6Very high90.1Very high0 Ų050 Ų500%028%0.284CS..EExtended strand (participates in β ladder)trans-88.7115.1162.4-178.50000108.3L160 F181 L183 I191 I263 T264 V267 V293 Y294 L295L160-V209 HydrophobicContact CD1-CG1 4.04Å; L160-V209 HydrophobicContact CD1-CG2 4.16Å; F181-V209 HydrophobicContact CE2-CG1 4.18Å; F181-V209 HydrophobicContact CZ-CG1 3.93Å; L183-V209 HydrophobicContact CD2-CG2 4.36Å; I191-V209 HydrophobicContact CD1-CG2 3.98Å; V209-I263 HydrophobicContact CB-CG1 4.18Å; V209-I263 HydrophobicContact CG1-CD1 3.89Å; V209-I263 HydrophobicContact CG1-CG1 3.76Å; V209-I263 WeakPolarHBondContact O-CG1 3.19Å; V209-I263 PolarHBondContact O-N 3.49Å; V209-T264 PolarHBondContact N-OG1 2.86Å; V209-V267 HydrophobicContact CB-CG2 4.07Å; V209-V267 HydrophobicContact CG1-CG2 4.16Å; V209-V267 HydrophobicContact CG2-CG1 4.28Å; V209-V267 HydrophobicContact CG2-CG2 4.23Å; V209-V293 HydrophobicContact CG1-CG1 3.59Å; V209-Y294 WeakPolarHBondContact CA-O 3.33Å; V209-L295 HydrophobicContact CG2-CD1 4.45Å
210Q98.6Very high91.3Very high4 Ų450.2 Ų50.22%0.01929%0.286CS..EExtended strand (participates in β ladder)trans-113116.7-175.4-172.7179.4103.800110.8Y154 R212 P260 L261 V293 Y294 V296Y154-Q210 VanDerWaalsContact CE1-NE2 3.3Å; Q210-R212 HydrophobicContact CG-CG 4.22Å; Q210-P260 HydrophobicContact CG-CB 3.73Å; Q210-L261 WeakPolarHBondContact CA-O 3.09Å; Q210-V293 WeakPolarHBondContact O-CA 3.34Å; Q210-Y294 PolarHBondContact N-O 3.44Å; Q210-Y294 PolarHBondContact O-N 3.45Å; Q210-V296 HydrophobicContact CB-CG1 4.08Å; Q210-V296 HydrophobicContact CB-CG2 3.74Å
211L98.6Very high92.5Very high0 Ų049.3 Ų49.30%027%0.266CS..EExtended strand (participates in β ladder)trans-89.3131.9170.4167.259.6000109.2L213 I232 L261 I263 I277 I279 M291 S292 V293L211-L213 HydrophobicContact CD1-CD1 4.08Å; L211-L213 HydrophobicContact CD2-CD1 4.42Å; L211-L213 HydrophobicContact CG-CD1 3.97Å; L211-I232 HydrophobicContact CD2-CD1 3.83Å; L211-I232 HydrophobicContact CD2-CG2 4.04Å; L211-L261 HydrophobicContact CB-CB 4.32Å; L211-L261 HydrophobicContact CD2-CD1 4.48Å; L211-L261 PolarHBondContact N-O 3.47Å; L211-L261 WeakPolarHBondContact O-CB 3.41Å; L211-L261 PolarHBondContact O-N 3.5Å; L211-I263 HydrophobicContact CB-CD1 4.16Å; L211-I263 HydrophobicContact CB-CG1 4.4Å; L211-I263 HydrophobicContact CB-CG2 4.02Å; L211-I263 HydrophobicContact CD2-CG2 4.28Å; L211-I277 HydrophobicContact CD2-CG2 4.37Å; L211-I279 HydrophobicContact CD1-CD1 4.41Å; L211-M291 HydrophobicContact CD1-CE 3.78Å; L211-S292 WeakPolarHBondContact CD1-O 3.48Å; L211-V293 HydrophobicContact CD1-CG2 3.99Å
212R98.4Very high93.6Very high13 Ų1347.1 Ų47.15%0.04924%0.241CC..EExtended strand (participates in β ladder)trans-126.3146.1174.2-59.4-176.771.6-174.52.5110.6L148 K149 L151 Q210 D224 P260 M291 S292 Y294L148-R212 HydrophobicContact CD2-CB 3.48Å; L148-R212 VanDerWaalsContact CD2-CB 3.48Å; L148-R212 HydrophobicContact CD2-CG 4.35Å; K149-R212 PolarHBondContact O-NH1 3.34Å; K149-R212 PolarHBondContact O-NH2 3.19Å; L151-R212 VanDerWaalsContact CD1-CZ 3.47Å; Q210-R212 HydrophobicContact CG-CG 4.22Å; R212-D224 IonicContact CZ-OD1 3.35Å; R212-D224 IonicContact CZ-OD2 3.76Å; R212-D224 IonicContact NE-OD1 3.52Å; R212-D224 PolarHBondContact NE-OD1 2.84Å; R212-D224 IonicContact NE-OD2 2.7Å; R212-D224 PolarHBondContact NE-OD2 3.48Å; R212-D224 IonicContact NH2-OD1 2.91Å; R212-D224 IonicContact NH2-OD2 2.69Å; R212-D224 PolarHBondContact NH2-OD2 2.92Å; R212-P260 HydrophobicContact CG-CB 4.3Å; R212-M291 WeakPolarHBondContact O-CA 3.44Å; R212-S292 PolarHBondContact N-O 3.12Å; R212-S292 PolarHBondContact O-N 3.4Å; R212-Y294 HydrophobicContact CB-CE2 4.44Å; R212-Y294 HydrophobicContact CG-CD2 4.3Å; R212-Y294 HydrophobicContact CG-CE2 4.34Å
213L97.9Very high94.4Very high0 Ų042.1 Ų42.10%023%0.226CC..EExtended strand (participates in β ladder)trans-129143.6175.1-67.689000108.7L166 L211 D224 N225 Y226 P227 L230 I232 L261 I279 S290 M291L166-L213 HydrophobicContact CD1-CD2 4.15Å; L211-L213 HydrophobicContact CD1-CD1 4.08Å; L211-L213 HydrophobicContact CD2-CD1 4.42Å; L211-L213 HydrophobicContact CG-CD1 3.97Å; L213-D224 CarbonylContact O-C 3.45Å; L213-D224 VanDerWaalsContact O-CA 3.31Å; L213-D224 WeakPolarHBondContact O-CA 3.29Å; L213-N225 CarbonylContact C-O 3.56Å; L213-N225 PolarHBondContact O-N 3.33Å; L213-Y226 HydrophobicContact CB-CD1 4.4Å; L213-P227 HydrophobicContact CD2-CG 4.35Å; L213-L230 HydrophobicContact CD2-CD1 3.79Å; L213-L230 HydrophobicContact CD2-CD2 4.12Å; L213-I232 HydrophobicContact CD1-CD1 4.29Å; L213-L261 HydrophobicContact CD1-CD1 4.28Å; L213-I279 HydrophobicContact CD2-CD1 4.48Å; L213-I279 HydrophobicContact CD2-CG2 4.39Å; L213-S290 WeakPolarHBondContact CA-O 3.45Å; L213-M291 HydrophobicContact CG-CB 4.35Å
214C96.8Very high95.3Very high0 Ų035.4 Ų35.40%020%0.202CC..EExtended strand (participates in β ladder)trans-151.1173-178.258.30000110.9L148 Q222 N225 Y289 S290L148-C214 HydrophobicContact CD2-CB 4.02Å; L148-C214 HydrophobicContact CG-CB 4.1Å; C214-Q222 HydrophobicContact CB-CB 3.8Å; C214-N225 PolarHBondContact N-O 2.98Å; C214-Y289 CarbonylContact O-C 3.51Å; C214-Y289 VanDerWaalsContact O-CA 3.27Å; C214-Y289 WeakPolarHBondContact O-CA 3.29Å; C214-Y289 WeakPolarHBondContact O-CD1 3.2Å; C214-S290 PolarHBondContact N-O 3.36Å; C214-S290 PolarHBondContact O-N 2.98Å
215L94.9Very high95.7Very high25 Ų2534.8 Ų34.813%0.13120%0.199CC..EExtended strand (participates in β ladder)trans-69.5146.7167.4-67.4167.3000109.6E217 N225 K287 Y289L215-E217 HydrophobicContact CB-CG 4.25Å; L215-E217 PolarHBondContact O-N 2.86Å; L215-N225 WeakPolarHBondContact CD1-ND2 3.24Å; L215-N225 HydrophobicContact CG-CB 4.43Å; L215-K287 HydrophobicContact CD2-CB 4.31Å; L215-Y289 HydrophobicContact CD2-CD1 4Å; L215-Y289 HydrophobicContact CD2-CE1 3.55Å; L215-Y289 HydrophobicContact CD2-CE2 4.41Å; L215-Y289 HydrophobicContact CG-CE1 4.36Å
216A93.9Very high95.8Very high27 Ų2732.8 Ų32.822%0.22319%0.191CC..  trans-82.751.3177.500000111.9V146 N288V146-A216 HydrophobicContact CG2-CB 4.42Å; A216-N288 HydrophobicContact CB-CB 3.76Å; A216-N288 PolarHBondContact N-O 2.92Å
217E92.3Very high95.7Very high91 Ų9131.7 Ų31.743%0.42518%0.184SC..  trans-104.1126.4179.2-74.1175.4-151.500110.5L215 Q222L215-E217 HydrophobicContact CB-CG 4.25Å; L215-E217 PolarHBondContact O-N 2.86Å; E217-Q222 WeakPolarHBondContact O-CG 3.5Å; E217-Q222 PolarHBondContact O-NE2 3.09Å
218T93Very high95.4Very high95 Ų9533.6 Ų33.658%0.58320%0.195SC*.  trans-97.1-4.8-178.852.10000113.8D145 V146 C220D145-T218 HydrophobicContact CB-CG2 4.26Å; V146-T218 HydrophobicContact CG2-CG2 3.92Å; T218-C220 VanDerWaalsContact C-N 3.26Å; T218-C220 PolarHBondContact O-N 3.05Å
219S92.1Very high95.1Very high101 Ų10137.1 Ų37.171%0.70622%0.22SC*.SBendtrans-64.6-26-177.357.10000114.2
220C92.6Very high94.9Very high65 Ų6537.5 Ų37.544%0.43922%0.222SC..SBendtrans-162161.3176.364.60000110.7T218 Q222T218-C220 VanDerWaalsContact C-N 3.26Å; T218-C220 PolarHBondContact O-N 3.05Å; C220-Q222 PolarHBondContact O-N 3.49Å; C220-Q222 PolarHBondContact O-NE2 3.18Å
221P94.4Very high94.8Very high58 Ų5839.3 Ų39.338%0.37723%0.234SC..PPolyproline II helixtrans-59.2131.3172.6-2636.2000112.3Q147 K149Q147-P221 HydrophobicContact CB-CB 4.43Å; Q147-P221 CarbonylContact O-C 3.58Å; Q147-P221 VanDerWaalsContact O-CA 3.28Å; Q147-P221 WeakPolarHBondContact O-CA 2.94Å; K149-P221 WeakPolarHBondContact CE-O 3.49Å; K149-P221 HydrophobicContact CG-CB 3.91Å; K149-P221 WeakPolarHBondContact CG-O 3.48Å
222Q96.3Very high94.8Very high13 Ų1339.3 Ų39.36%0.06123%0.234CC..BIsolated β-bridgetrans-90.6144.7-166.4-66.7-63.2-4900114V146 Q147 K149 C214 E217 C220V146-Q222 HydrophobicContact CG1-CG 3.95Å; Q147-Q222 PolarHBondContact O-N 3.15Å; K149-Q222 PolarHBondContact N-O 2.86Å; C214-Q222 HydrophobicContact CB-CB 3.8Å; E217-Q222 WeakPolarHBondContact O-CG 3.5Å; E217-Q222 PolarHBondContact O-NE2 3.09Å; C220-Q222 PolarHBondContact O-N 3.49Å; C220-Q222 PolarHBondContact O-NE2 3.18Å
223E94.9Very high94.8Very high99 Ų9942.2 Ų42.246%0.46325%0.247SC..PPolyproline II helixtrans-81.9151.9167.1-71.9174.9-158.100109.9K149 N225 K391K149-E223 HydrophobicContact CD-CG 3.63Å; K149-E223 HydrophobicContact CG-CG 4.49Å; K149-E223 IonicContact NZ-OE1 3.6Å; K149-E223 PolarHBondContact NZ-OE1 2.95Å; E223-N225 PolarHBondContact O-N 3.09Å; E223-K391 IonicContact OE1-NZ 2.73Å; E223-K391 PolarHBondContact OE1-NZ 3.06Å
224D96.4Very high94.8Very high22 Ų2242.2 Ų42.212%0.11825%0.247CC..PPolyproline II helixtrans-58.6128.1177.5-60.9-98.4000110.3R212 L213 G258R212-D224 IonicContact CZ-OD1 3.35Å; R212-D224 IonicContact CZ-OD2 3.76Å; R212-D224 IonicContact NE-OD1 3.52Å; R212-D224 PolarHBondContact NE-OD1 2.84Å; R212-D224 IonicContact NE-OD2 2.7Å; R212-D224 PolarHBondContact NE-OD2 3.48Å; R212-D224 IonicContact NH2-OD1 2.91Å; R212-D224 IonicContact NH2-OD2 2.69Å; R212-D224 PolarHBondContact NH2-OD2 2.92Å; L213-D224 CarbonylContact O-C 3.45Å; L213-D224 VanDerWaalsContact O-CA 3.31Å; L213-D224 WeakPolarHBondContact O-CA 3.29Å; D224-G258 VanDerWaalsContact O-CA 3.29Å; D224-G258 WeakPolarHBondContact O-CA 3.34Å
225N94.9Very high94.9Very high43 Ų4343.5 Ų43.523%0.2325%0.254CS..  trans-150.1119.9-172.8-161.6-19.9000110.1L213 C214 L215 E223 K255L213-N225 CarbonylContact C-O 3.56Å; L213-N225 PolarHBondContact O-N 3.33Å; C214-N225 PolarHBondContact N-O 2.98Å; L215-N225 WeakPolarHBondContact CD1-ND2 3.24Å; L215-N225 HydrophobicContact CG-CB 4.43Å; E223-N225 PolarHBondContact O-N 3.09Å; N225-K255 VanDerWaalsContact OD1-CE 3.24Å; N225-K255 WeakPolarHBondContact OD1-CE 3.45Å; N225-K255 PolarHBondContact OD1-NZ 3.12Å
226Y95Very high95Very high4 Ų445.2 Ų45.22%0.01628%0.278CS..PPolyproline II helixtrans-86.2144.1-178.1-56.2-38.7000111.7L213 L230 K255 R256 P257 R259 L261L213-Y226 HydrophobicContact CB-CD1 4.4Å; Y226-L230 HydrophobicContact CD1-CD2 3.54Å; Y226-L230 HydrophobicContact CD2-CD2 4.42Å; Y226-L230 HydrophobicContact CE1-CD2 4.27Å; Y226-L230 HydrophobicContact CG-CD2 3.64Å; Y226-K255 WeakPolarHBondContact O-CE 3.43Å; Y226-K255 PolarHBondContact O-NZ 2.89Å; Y226-R256 HydrophobicContact CD2-CB 3.94Å; Y226-R256 HydrophobicContact CE2-CB 4.24Å; Y226-P257 WeakPolarHBondContact CE2-O 3.35Å; Y226-R259 PolarHBondContact OH-N 2.95Å; Y226-R259 VanDerWaalsContact OH-N 3.12Å; Y226-R259 PolarHBondContact OH-O 3.16Å; Y226-L261 HydrophobicContact CE1-CD1 4.34Å; Y226-L261 HydrophobicContact CE1-CD2 4.39Å; Y226-L261 HydrophobicContact CE1-CG 4.42Å; Y226-L261 WeakPolarHBondContact OH-CD2 3.25Å
227P94.3Very high95.2Very high4 Ų450.5 Ų50.53%0.02630%0.296CS..PPolyproline II helixtrans-68.1162.2163.931.8-36.3000111.6L166 L213 L230 W281 Y289L166-P227 HydrophobicContact CD1-CG 4.37Å; L213-P227 HydrophobicContact CD2-CG 4.35Å; P227-L230 HydrophobicContact CG-CB 4.31Å; P227-L230 HydrophobicContact CG-CD1 3.97Å; P227-L230 WeakPolarHBondContact O-CB 3.18Å; P227-W281 HydrophobicContact CB-CB 3.78Å; P227-W281 HydrophobicContact CB-CG 3.92Å; P227-W281 HydrophobicContact CG-CB 3.57Å; P227-W281 HydrophobicContact CG-CG 3.93Å; P227-Y289 HydrophobicContact CB-CD1 4.17Å; P227-Y289 HydrophobicContact CB-CD2 3.78Å; P227-Y289 HydrophobicContact CB-CE1 4.18Å; P227-Y289 HydrophobicContact CB-CE2 3.77Å; P227-Y289 HydrophobicContact CB-CG 3.98Å
228N91.1Very high95.4Very high40 Ų4051.9 Ų51.921%0.21431%0.305CS..EExtended strand (participates in β ladder)trans-65149.5177-71.8-3.9000111.5L230 A282 E284N228-L230 PolarHBondContact O-N 3.4Å; N228-L230 VanDerWaalsContact O-N 3.08Å; N228-A282 HydrophobicContact CB-CB 4.36Å; N228-A282 PolarHBondContact O-N 3.2Å; N228-E284 HydrophobicContact CB-CG 4.29Å; N228-E284 VanDerWaalsContact CG-CD 3.42Å; N228-E284 PolarHBondContact ND2-OE2 2.88Å; N228-E284 PolarHBondContact OD1-OE1 3.46Å
229S91.8Very high95.6Very high76 Ų7648.3 Ų48.353%0.53128%0.282SS..EExtended strand (participates in β ladder)trans50.729.1-176.6-56.20000115.4C231S229-C231 PolarHBondContact O-N 3.07Å
230L95.3Very high95.8Very high8 Ų848.5 Ų48.54%0.04228%0.281CS..EExtended strand (participates in β ladder)trans-52.9124.9179.3178.964.9000112.1L213 Y226 P227 N228 I232 L241 R256 I279 S280L213-L230 HydrophobicContact CD2-CD1 3.79Å; L213-L230 HydrophobicContact CD2-CD2 4.12Å; Y226-L230 HydrophobicContact CD1-CD2 3.54Å; Y226-L230 HydrophobicContact CD2-CD2 4.42Å; Y226-L230 HydrophobicContact CE1-CD2 4.27Å; Y226-L230 HydrophobicContact CG-CD2 3.64Å; P227-L230 HydrophobicContact CG-CB 4.31Å; P227-L230 HydrophobicContact CG-CD1 3.97Å; P227-L230 WeakPolarHBondContact O-CB 3.18Å; N228-L230 PolarHBondContact O-N 3.4Å; N228-L230 VanDerWaalsContact O-N 3.08Å; L230-I232 HydrophobicContact CD1-CD1 4.2Å; L230-I232 HydrophobicContact CD1-CG1 3.88Å; L230-I232 HydrophobicContact CD2-CD1 4.14Å; L230-I232 HydrophobicContact CG-CD1 4.27Å; L230-I232 HydrophobicContact CG-CG1 4.15Å; L230-L241 HydrophobicContact CB-CD1 4.27Å; L230-L241 HydrophobicContact CD2-CD1 4.08Å; L230-L241 HydrophobicContact CD2-CD2 3.97Å; L230-L241 HydrophobicContact CG-CD1 3.82Å; L230-L241 WeakPolarHBondContact O-CD1 3.48Å; L230-R256 PolarHBondContact O-NH1 2.99Å; L230-I279 HydrophobicContact CD1-CG2 3.64Å; L230-S280 WeakPolarHBondContact CA-O 3.36Å
231C96.2Very high95.7Very high42 Ų4246.9 Ų46.928%0.28427%0.267SS..EExtended strand (participates in β ladder)trans-127.4140.9170.3-174.50000108.5S229 S280S229-C231 PolarHBondContact O-N 3.07Å; C231-S280 PolarHBondContact N-O 2.9Å; C231-S280 PolarHBondContact O-N 3.24Å
232I98.2Very high95.3Very high0 Ų046.2 Ų46.20%026%0.263CS..EExtended strand (participates in β ladder)trans-135.2132.1-178.5-60.3174.9000108.7L211 L213 L230 V234 F239 L241 L261 I277 S278L211-I232 HydrophobicContact CD2-CD1 3.83Å; L211-I232 HydrophobicContact CD2-CG2 4.04Å; L213-I232 HydrophobicContact CD1-CD1 4.29Å; L230-I232 HydrophobicContact CD1-CD1 4.2Å; L230-I232 HydrophobicContact CD1-CG1 3.88Å; L230-I232 HydrophobicContact CD2-CD1 4.14Å; L230-I232 HydrophobicContact CG-CD1 4.27Å; L230-I232 HydrophobicContact CG-CG1 4.15Å; I232-V234 HydrophobicContact CG2-CG2 4.14Å; I232-F239 HydrophobicContact CB-CB 4.16Å; I232-F239 HydrophobicContact CG2-CB 4.07Å; I232-F239 PolarHBondContact O-N 2.97Å; I232-L241 HydrophobicContact CD1-CD2 3.97Å; I232-L261 HydrophobicContact CD1-CD1 3.48Å; I232-L261 VanDerWaalsContact CD1-CD1 3.48Å; I232-I277 HydrophobicContact CG2-CG2 4.06Å; I232-S278 WeakPolarHBondContact CA-O 3.29Å
233K98.6Very high94.5Very high73 Ų7348.5 Ų48.532%0.31729%0.29SS..EExtended strand (participates in β ladder)trans-118.8135169.4-54.3165.6-166148.10108.6E176 K237 I277 S278E176-K233 IonicContact OE1-NZ 3.67Å; E176-K233 PolarHBondContact OE1-NZ 3.44Å; K233-K237 CarbonylContact C-O 3.57Å; K233-K237 WeakPolarHBondContact CA-O 3.26Å; K233-I277 CarbonylContact O-C 3.52Å; K233-I277 WeakPolarHBondContact O-CA 3.32Å; K233-S278 PolarHBondContact N-O 2.9Å; K233-S278 PolarHBondContact O-N 3.22Å
234V98.6Very high93.5Very high0 Ų050 Ų500%029%0.293CS..EExtended strand (participates in β ladder)trans-120.7122.3174.2-177.30000108.1I232 G236 K237 I263 L266 V267 Q276 I277I232-V234 HydrophobicContact CG2-CG2 4.14Å; V234-G236 PolarHBondContact O-N 2.82Å; V234-K237 PolarHBondContact N-O 2.67Å; V234-K237 PolarHBondContact O-N 3.24Å; V234-I263 HydrophobicContact CG1-CD1 4.48Å; V234-I263 HydrophobicContact CG2-CB 4.3Å; V234-I263 HydrophobicContact CG2-CD1 4.24Å; V234-I263 HydrophobicContact CG2-CG2 4.29Å; V234-L266 HydrophobicContact CB-CB 3.74Å; V234-L266 HydrophobicContact CB-CD1 4.03Å; V234-L266 HydrophobicContact CG1-CB 3.84Å; V234-L266 HydrophobicContact CG2-CD1 4.43Å; V234-V267 HydrophobicContact CG1-CG2 4.49Å; V234-Q276 WeakPolarHBondContact CA-O 3.41Å; V234-I277 HydrophobicContact CG2-CG1 4.41Å; V234-I277 HydrophobicContact CG2-CG2 4.47Å
235N98.1Very high92.1Very high27 Ų2751.2 Ų51.214%0.14431%0.306CS..THydrogen-bonded Turntrans49.142.7-173.1-60.9-52.3000113.1K237 L266 N275 Q276N235-K237 PolarHBondContact O-N 3.28Å; N235-L266 PolarHBondContact ND2-O 3.25Å; N235-N275 PolarHBondContact ND2-OD1 2.74Å; N235-N275 WeakPolarHBondContact OD1-CA 3.48Å; N235-Q276 PolarHBondContact N-O 3.03Å; N235-Q276 PolarHBondContact OD1-N 3.42Å
236G96.5Very high90.5Very high62 Ų6254.7 Ų54.764%0.63933%0.331SS*.THydrogen-bonded Turntrans80-17.9-17700000115.7V234V234-G236 PolarHBondContact O-N 2.82Å
237K98.2Very high88.7Confident137 Ų13759 Ų5960%0.59636%0.359SS*.EExtended strand (participates in β ladder)trans-84.2134.2-179.4-63-179.9178.2-179.20111.2K233 V234 N235 F239 L266K233-K237 CarbonylContact C-O 3.57Å; K233-K237 WeakPolarHBondContact CA-O 3.26Å; V234-K237 PolarHBondContact N-O 2.67Å; V234-K237 PolarHBondContact O-N 3.24Å; N235-K237 PolarHBondContact O-N 3.28Å; K237-F239 PolarHBondContact O-N 3.03Å; K237-L266 HydrophobicContact CB-CD1 4.33Å; K237-L266 HydrophobicContact CB-CD2 4.11Å; K237-L266 HydrophobicContact CD-CD2 4.03Å
238L97.7Very high86.9Confident120 Ų12061.9 Ų61.963%0.62838%0.378SS*.EExtended strand (participates in β ladder)trans-63.2131.5174.5-177.868.2000110.7
239F97.4Very high85.2Confident21 Ų2169.9 Ų69.99%0.09241%0.411CS..PPolyproline II helixtrans-91.5125174.3179-95.1000111I232 K237 L241 L261 N262 I263 L266I232-F239 HydrophobicContact CB-CB 4.16Å; I232-F239 HydrophobicContact CG2-CB 4.07Å; I232-F239 PolarHBondContact O-N 2.97Å; K237-F239 PolarHBondContact O-N 3.03Å; F239-L241 HydrophobicContact CD1-CD2 4.29Å; F239-L241 HydrophobicContact CD1-CG 4.3Å; F239-L241 HydrophobicContact CE1-CD2 4.33Å; F239-L241 PolarHBondContact O-N 3.35Å; F239-L241 VanDerWaalsContact O-N 3.13Å; F239-L261 HydrophobicContact CD1-CD1 4.45Å; F239-L261 HydrophobicContact CE1-CB 4.09Å; F239-L261 HydrophobicContact CE1-CD1 4.04Å; F239-L261 HydrophobicContact CE1-CD2 3.96Å; F239-L261 HydrophobicContact CE1-CG 4.26Å; F239-L261 HydrophobicContact CZ-CB 4.15Å; F239-L261 HydrophobicContact CZ-CD2 4.47Å; F239-N262 VanDerWaalsContact CE2-O 3.3Å; F239-N262 WeakPolarHBondContact CE2-O 3.37Å; F239-I263 HydrophobicContact CD2-CG2 3.93Å; F239-I263 HydrophobicContact CE2-CB 4.49Å; F239-I263 HydrophobicContact CE2-CG2 3.87Å; F239-I263 HydrophobicContact CG-CG2 4.41Å; F239-I263 HydrophobicContact CZ-CG2 4.3Å; F239-L266 HydrophobicContact CB-CD1 3.94Å; F239-L266 HydrophobicContact CD2-CD1 3.9Å; F239-L266 HydrophobicContact CG-CD1 4.44Å
240P94.5Very high83.7Confident104 Ų10470.6 Ų70.668%0.67541%0.409SS*.  trans-74.3103.817930-33.6000110.8
241L91.8Very high81.9Confident31 Ų3173.9 Ų73.916%0.16245%0.445CS..PPolyproline II helixtrans-67.9150.3176.4-77.4161.2000112L230 I232 F239 G243 R256 L261L230-L241 HydrophobicContact CB-CD1 4.27Å; L230-L241 HydrophobicContact CD2-CD1 4.08Å; L230-L241 HydrophobicContact CD2-CD2 3.97Å; L230-L241 HydrophobicContact CG-CD1 3.82Å; L230-L241 WeakPolarHBondContact O-CD1 3.48Å; I232-L241 HydrophobicContact CD1-CD2 3.97Å; F239-L241 HydrophobicContact CD1-CD2 4.29Å; F239-L241 HydrophobicContact CD1-CG 4.3Å; F239-L241 HydrophobicContact CE1-CD2 4.33Å; F239-L241 PolarHBondContact O-N 3.35Å; F239-L241 VanDerWaalsContact O-N 3.13Å; L241-G243 PolarHBondContact O-N 3.49Å; L241-R256 VanDerWaalsContact CD1-NH1 3.32Å; L241-L261 HydrophobicContact CD2-CD1 3.6Å; L241-L261 HydrophobicContact CD2-CD2 4.14Å
242P85.8Confident80.1Confident45 Ų4577.4 Ų77.429%0.29246%0.459SS..PPolyproline II helixtrans-53.2139.6175.7-27.335.4000112.6L261P242-L261 HydrophobicContact CG-CD2 4.03Å
243G78.8Confident78.2Confident61 Ų6185.1 Ų85.163%0.62950%0.496SS*.PPolyproline II helixtrans-57.8155.9179.900000113.3L241L241-G243 PolarHBondContact O-N 3.49Å
244Y75Confident76.4Confident130 Ų13085.2 Ų85.251%0.5150%0.497SS..PPolyproline II helixtrans-61.7150176.2-68.1-95.7000111.6Q254 R256Y244-Q254 HydrophobicContact CD1-CB 3.86Å; Y244-Q254 WeakPolarHBondContact CD1-O 3.34Å; Y244-Q254 WeakPolarHBondContact CE1-O 3.46Å; Y244-R256 HydrophobicContact CD1-CG 3.59Å; Y244-R256 HydrophobicContact CD2-CG 4.5Å; Y244-R256 HydrophobicContact CE1-CG 3.67Å; Y244-R256 HydrophobicContact CG-CG 4.05Å; Y244-R256 VanDerWaalsContact CZ-NE 3.27Å; Y244-R256 PolarHBondContact OH-NH2 3.48Å
245A65.6Low75.1Confident48 Ų4889.2 Ų89.240%0.39752%0.515SS..PPolyproline II helixtrans-67.5145.8168.200000109.8Q254A245-Q254 PolarHBondContact O-OE1 3.23Å
246P62.5Low74.3Confident116 Ų11690.7 Ų90.775%0.75352%0.518SS*.PPolyproline II helixtrans-53.7140.8178.6-2734.9000112.3
247P57.2Low73.6Confident94 Ų9490.2 Ų90.261%0.6150%0.504SS*.PPolyproline II helixtrans-55.5125-17614.3-27.3000112.3
248P57Low73.1Confident65 Ų6584.9 Ų84.942%0.42249%0.488SS..PPolyproline II helixtrans-65.2143164.828.8-33.1000109.1N250 G251 I252P248-N250 PolarHBondContact O-N 3.25Å; P248-G251 PolarHBondContact O-N 2.97Å; P248-I252 HydrophobicContact CG-CB 4.46Å
249K55.5Low72.9Confident207 Ų20784.5 Ų84.590%0.948%0.478SS*.THydrogen-bonded Turntrans-65.621.1-176.9-60.2-173.3176.8-174.30115.5
250N60.1Low72.9Confident91 Ų9185.1 Ų85.149%0.48748%0.484SS..THydrogen-bonded Turntrans-129.86.3-171.3-60.1-24.7000113.7R15 P248 I252R15-N250 PolarHBondContact NH1-OD1 2.86Å; R15-N250 PolarHBondContact NH2-OD1 2.91Å; P248-N250 PolarHBondContact O-N 3.25Å; N250-I252 VanDerWaalsContact C-N 3.26Å; N250-I252 HydrophobicContact CB-CD1 4.45Å; N250-I252 HydrophobicContact CB-CG1 4.41Å; N250-I252 PolarHBondContact O-N 3.27Å
251G56.6Low73Confident78 Ų7880.4 Ų80.480%0.80445%0.453SS*.  trans70.310.8173.600000116.7P248P248-G251 PolarHBondContact O-N 2.97Å
252I58.6Low73.3Confident115 Ų11581 Ų8159%0.5946%0.457SS*.  trans-67.8137.6177.5-59.8172.1000109.8P248 N250 Q254P248-I252 HydrophobicContact CG-CB 4.46Å; N250-I252 VanDerWaalsContact C-N 3.26Å; N250-I252 HydrophobicContact CB-CD1 4.45Å; N250-I252 HydrophobicContact CB-CG1 4.41Å; N250-I252 PolarHBondContact O-N 3.27Å; I252-Q254 PolarHBondContact O-N 2.96Å
253E58.5Low73.8Confident163 Ų16378.9 Ų78.976%0.76244%0.443SS*.  trans-54127180-170.6177.9-171.600112K255E253-K255 PolarHBondContact O-N 3.5Å
254Q61.1Low74.7Confident75 Ų7576.1 Ų76.135%0.3541%0.414SS..  trans-79.185.5-173.2-65.217819.100111.8Y244 A245 I252 R256Y244-Q254 HydrophobicContact CD1-CB 3.86Å; Y244-Q254 WeakPolarHBondContact CD1-O 3.34Å; Y244-Q254 WeakPolarHBondContact CE1-O 3.46Å; A245-Q254 PolarHBondContact O-OE1 3.23Å; I252-Q254 PolarHBondContact O-N 2.96Å; Q254-R256 PolarHBondContact O-N 3.01Å
255K70.8Confident75.7Confident84 Ų8474.6 Ų74.637%0.36542%0.422SS..PPolyproline II helixtrans-65.5120.7166.2-172.7148.9-173.8151.80109.9N225 Y226 E253 E284 Y289N225-K255 VanDerWaalsContact OD1-CE 3.24Å; N225-K255 WeakPolarHBondContact OD1-CE 3.45Å; N225-K255 PolarHBondContact OD1-NZ 3.12Å; Y226-K255 WeakPolarHBondContact O-CE 3.43Å; Y226-K255 PolarHBondContact O-NZ 2.89Å; E253-K255 PolarHBondContact O-N 3.5Å; K255-E284 IonicContact NZ-OE1 2.71Å; K255-Y289 PolarHBondContact NZ-OH 3.49Å
256R81.2Confident77.2Confident57 Ų5773.8 Ų73.822%0.21541%0.411CS..PPolyproline II helixtrans-59.7134.6175.1-65.6-178.1-166.4147.65.9109.2Y226 L230 L241 Y244 Q254 G258Y226-R256 HydrophobicContact CD2-CB 3.94Å; Y226-R256 HydrophobicContact CE2-CB 4.24Å; L230-R256 PolarHBondContact O-NH1 2.99Å; L241-R256 VanDerWaalsContact CD1-NH1 3.32Å; Y244-R256 HydrophobicContact CD1-CG 3.59Å; Y244-R256 HydrophobicContact CD2-CG 4.5Å; Y244-R256 HydrophobicContact CE1-CG 3.67Å; Y244-R256 HydrophobicContact CG-CG 4.05Å; Y244-R256 VanDerWaalsContact CZ-NE 3.27Å; Y244-R256 PolarHBondContact OH-NH2 3.48Å; Q254-R256 PolarHBondContact O-N 3.01Å; R256-G258 PolarHBondContact O-N 2.67Å
257P82Confident78.9Confident53 Ų5368.9 Ų68.934%0.34438%0.379SS..PPolyproline II helixtrans-66.1123.3178.427.1-33.5000110Y226Y226-P257 WeakPolarHBondContact CE2-O 3.35Å
258G88.7Confident80.8Confident25 Ų2570.3 Ų70.326%0.25837%0.372SS..PPolyproline II helixtrans-63.2138.5176.600000111.8D224 R256D224-G258 VanDerWaalsContact O-CA 3.29Å; D224-G258 WeakPolarHBondContact O-CA 3.34Å; R256-G258 PolarHBondContact O-N 2.67Å
259R92.9Very high82.7Confident112 Ų11269.6 Ų69.642%0.42337%0.365SS..  trans-152.6159.5-178.9-64.8-170.8-179.3-156.1-2109.7Y226Y226-R259 PolarHBondContact OH-N 2.95Å; Y226-R259 VanDerWaalsContact OH-N 3.12Å; Y226-R259 PolarHBondContact OH-O 3.16Å
260P96.6Very high84.7Confident34 Ų3461.9 Ų61.922%0.22134%0.336CS..  trans-58144.3162.227.6-38.5000111.5L151 Y154 Q210 R212L151-P260 HydrophobicContact CD1-CB 3.79Å; L151-P260 HydrophobicContact CD1-CG 3.71Å; Y154-P260 HydrophobicContact CE2-CG 4.46Å; Q210-P260 HydrophobicContact CG-CB 3.73Å; R212-P260 HydrophobicContact CG-CB 4.3Å
261L97.3Very high86.5Confident4 Ų460.3 Ų60.32%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-115.3108178.6-57.4-179.5000110Q210 L211 L213 Y226 I232 F239 L241 P242 I263Q210-L261 WeakPolarHBondContact CA-O 3.09Å; L211-L261 HydrophobicContact CB-CB 4.32Å; L211-L261 HydrophobicContact CD2-CD1 4.48Å; L211-L261 PolarHBondContact N-O 3.47Å; L211-L261 WeakPolarHBondContact O-CB 3.41Å; L211-L261 PolarHBondContact O-N 3.5Å; L213-L261 HydrophobicContact CD1-CD1 4.28Å; Y226-L261 HydrophobicContact CE1-CD1 4.34Å; Y226-L261 HydrophobicContact CE1-CD2 4.39Å; Y226-L261 HydrophobicContact CE1-CG 4.42Å; Y226-L261 WeakPolarHBondContact OH-CD2 3.25Å; I232-L261 HydrophobicContact CD1-CD1 3.48Å; I232-L261 VanDerWaalsContact CD1-CD1 3.48Å; F239-L261 HydrophobicContact CD1-CD1 4.45Å; F239-L261 HydrophobicContact CE1-CB 4.09Å; F239-L261 HydrophobicContact CE1-CD1 4.04Å; F239-L261 HydrophobicContact CE1-CD2 3.96Å; F239-L261 HydrophobicContact CE1-CG 4.26Å; F239-L261 HydrophobicContact CZ-CB 4.15Å; F239-L261 HydrophobicContact CZ-CD2 4.47Å; L241-L261 HydrophobicContact CD2-CD1 3.6Å; L241-L261 HydrophobicContact CD2-CD2 4.14Å; P242-L261 HydrophobicContact CG-CD2 4.03Å; L261-I263 HydrophobicContact CB-CG2 4.34Å; L261-I263 PolarHBondContact O-N 3.1Å
262N97.1Very high88.4Confident44 Ų4460.9 Ų60.924%0.23533%0.33CS..EExtended strand (participates in β ladder)trans-69.7107.7167.6174.53.8000108.6Q208 F239 T264Q208-N262 VanDerWaalsContact CD-ND2 3.28Å; Q208-N262 PolarHBondContact OE1-ND2 2.95Å; F239-N262 VanDerWaalsContact CE2-O 3.3Å; F239-N262 WeakPolarHBondContact CE2-O 3.37Å; N262-T264 WeakPolarHBondContact OD1-CB 3.22Å; N262-T264 PolarHBondContact OD1-N 3.36Å; N262-T264 PolarHBondContact OD1-OG1 2.92Å
263I97.9Very high90.2Very high0 Ų058.4 Ų58.40%032%0.32CS..  trans-100.61.7179.860.8165.1000113.2V209 L211 V234 F239 L261 S265 L266 V267 I277V209-I263 HydrophobicContact CB-CG1 4.18Å; V209-I263 HydrophobicContact CG1-CD1 3.89Å; V209-I263 HydrophobicContact CG1-CG1 3.76Å; V209-I263 WeakPolarHBondContact O-CG1 3.19Å; V209-I263 PolarHBondContact O-N 3.49Å; L211-I263 HydrophobicContact CB-CD1 4.16Å; L211-I263 HydrophobicContact CB-CG1 4.4Å; L211-I263 HydrophobicContact CB-CG2 4.02Å; L211-I263 HydrophobicContact CD2-CG2 4.28Å; V234-I263 HydrophobicContact CG1-CD1 4.48Å; V234-I263 HydrophobicContact CG2-CB 4.3Å; V234-I263 HydrophobicContact CG2-CD1 4.24Å; V234-I263 HydrophobicContact CG2-CG2 4.29Å; F239-I263 HydrophobicContact CD2-CG2 3.93Å; F239-I263 HydrophobicContact CE2-CB 4.49Å; F239-I263 HydrophobicContact CE2-CG2 3.87Å; F239-I263 HydrophobicContact CG-CG2 4.41Å; F239-I263 HydrophobicContact CZ-CG2 4.3Å; L261-I263 HydrophobicContact CB-CG2 4.34Å; L261-I263 PolarHBondContact O-N 3.1Å; I263-S265 PolarHBondContact O-N 2.73Å; I263-L266 PolarHBondContact O-N 3.04Å; I263-V267 HydrophobicContact CD1-CG2 4.26Å; I263-V267 HydrophobicContact CG1-CG2 4.15Å; I263-V267 PolarHBondContact O-N 3.33Å; I263-I277 HydrophobicContact CD1-CD1 3.83Å; I263-I277 HydrophobicContact CD1-CG1 4.46Å
264T97.2Very high92.1Very high3 Ų354.1 Ų54.12%0.01831%0.306CS..G310 helixtrans-51.6-36.1-170.1-45.30000113.7I191 Y205 Q208 V209 N262 L266 V267I191-T264 HydrophobicContact CG2-CG2 3.84Å; Y205-T264 HydrophobicContact CD2-CG2 4.02Å; Q208-T264 WeakPolarHBondContact CA-OG1 3.29Å; Q208-T264 WeakPolarHBondContact CB-OG1 3.17Å; V209-T264 PolarHBondContact N-OG1 2.86Å; N262-T264 WeakPolarHBondContact OD1-CB 3.22Å; N262-T264 PolarHBondContact OD1-N 3.36Å; N262-T264 PolarHBondContact OD1-OG1 2.92Å; T264-L266 PolarHBondContact O-N 2.85Å; T264-V267 WeakPolarHBondContact O-CB 3.43Å; T264-V267 PolarHBondContact O-N 2.85Å; T264-V267 VanDerWaalsContact O-N 3.14Å
265S95.5Very high93.9Very high98 Ų9850.6 Ų50.669%0.68529%0.29SS*.G310 helixtrans-67.8-14.7179.457.40000115I263I263-S265 PolarHBondContact O-N 2.73Å
266L97.6Very high95.2Very high32 Ų3250.5 Ų50.517%0.16829%0.29CS..G310 helixtrans-106.8-4.6173.5-56.3-175.3000113.1V234 N235 K237 F239 I263 T264V234-L266 HydrophobicContact CB-CB 3.74Å; V234-L266 HydrophobicContact CB-CD1 4.03Å; V234-L266 HydrophobicContact CG1-CB 3.84Å; V234-L266 HydrophobicContact CG2-CD1 4.43Å; N235-L266 PolarHBondContact ND2-O 3.25Å; K237-L266 HydrophobicContact CB-CD1 4.33Å; K237-L266 HydrophobicContact CB-CD2 4.11Å; K237-L266 HydrophobicContact CD-CD2 4.03Å; F239-L266 HydrophobicContact CB-CD1 3.94Å; F239-L266 HydrophobicContact CD2-CD1 3.9Å; F239-L266 HydrophobicContact CG-CD1 4.44Å; I263-L266 PolarHBondContact O-N 3.04Å; T264-L266 PolarHBondContact O-N 2.85Å
267V98.1Very high96.1Very high13 Ų1347.8 Ų47.88%0.07928%0.28CS..SBendtrans-79.2136.1179.8172.70000110.4F181 L183 V209 V234 I263 T264 L269 N275F181-V267 HydrophobicContact CZ-CG1 4.38Å; F181-V267 HydrophobicContact CZ-CG2 4.1Å; L183-V267 HydrophobicContact CD1-CG1 3.82Å; V209-V267 HydrophobicContact CB-CG2 4.07Å; V209-V267 HydrophobicContact CG1-CG2 4.16Å; V209-V267 HydrophobicContact CG2-CG1 4.28Å; V209-V267 HydrophobicContact CG2-CG2 4.23Å; V234-V267 HydrophobicContact CG1-CG2 4.49Å; I263-V267 HydrophobicContact CD1-CG2 4.26Å; I263-V267 HydrophobicContact CG1-CG2 4.15Å; I263-V267 PolarHBondContact O-N 3.33Å; T264-V267 WeakPolarHBondContact O-CB 3.43Å; T264-V267 PolarHBondContact O-N 2.85Å; T264-V267 VanDerWaalsContact O-N 3.14Å; V267-L269 HydrophobicContact CG1-CD2 4.03Å; V267-L269 PolarHBondContact O-N 3.4Å; V267-N275 WeakPolarHBondContact CA-OD1 3.25Å; V267-N275 WeakPolarHBondContact CG1-OD1 3.48Å
268R97.8Very high96.8Very high123 Ų12345.5 Ų45.546%0.46427%0.266SS..  trans-72.4105.6166.4-67.3165.7173.7168.7-3.9107.8S270 V273 P274 N275R268-S270 PolarHBondContact O-N 2.98Å; R268-V273 HydrophobicContact CB-CG2 4.22Å; R268-P274 PolarHBondContact NH1-O 3.18Å; R268-P274 VanDerWaalsContact NH1-O 3.12Å; R268-N275 PolarHBondContact N-OD1 2.67Å; R268-N275 PolarHBondContact O-ND2 2.74Å
269L96.6Very high97.3Very high51 Ų5144.3 Ų44.327%0.26725%0.253SS..  trans-77.965.7175.8-58.9-178.8000110.5L183 V188 I191 V267L183-L269 HydrophobicContact CD1-CD2 4.15Å; V188-L269 HydrophobicContact CG1-CB 4.39Å; V188-L269 WeakPolarHBondContact CG1-O 3.17Å; I191-L269 HydrophobicContact CB-CD2 4.27Å; I191-L269 HydrophobicContact CD1-CD2 3.8Å; I191-L269 HydrophobicContact CG2-CD1 3.93Å; I191-L269 HydrophobicContact CG2-CD2 3.77Å; V267-L269 HydrophobicContact CG1-CD2 4.03Å; V267-L269 PolarHBondContact O-N 3.4Å
270S97.1Very high97.5Very high44 Ų4440.1 Ų40.131%0.30824%0.241SC..  trans-149.3140.3177174.20000109.6R268 A272R268-S270 PolarHBondContact O-N 2.98Å; S270-A272 PolarHBondContact OG-N 2.89Å
271S96.9Very high97.4Very high59 Ų5938.6 Ų38.641%0.41323%0.231SC..SBendtrans-85.7-8.9175.456.80000113.5L183L183-S271 WeakPolarHBondContact O-CA 3.46Å; L183-S271 WeakPolarHBondContact O-CB 3.2Å
272A97.1Very high97.2Very high89 Ų8938.5 Ų38.574%0.73623%0.231SC*.SBendtrans-88.1-9.6-179.100000113.5S270S270-A272 PolarHBondContact OG-N 2.89Å
273V97.1Very high96.9Very high63 Ų6338.1 Ų38.138%0.38223%0.231SC..SBendtrans-136136.9-180-70.20000111.3R268R268-V273 HydrophobicContact CB-CG2 4.22Å
274P98Very high96.4Very high73 Ų7339.3 Ų39.347%0.47424%0.237SC..  trans-70.4154.8175.428.8-34000112.1I180 R268I180-P274 HydrophobicContact CG2-CB 3.78Å; R268-P274 PolarHBondContact NH1-O 3.18Å; R268-P274 VanDerWaalsContact NH1-O 3.12Å
275N98.6Very high95.9Very high1 Ų147.8 Ų47.81%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-98.4137.4168.5-78.7-84.6000109.9I180 F181 N235 V267 R268I180-N275 WeakPolarHBondContact CA-O 3.42Å; F181-N275 HydrophobicContact CD1-CB 3.86Å; F181-N275 HydrophobicContact CD2-CB 4.23Å; F181-N275 HydrophobicContact CE1-CB 3.45Å; F181-N275 VanDerWaalsContact CE1-CB 3.45Å; F181-N275 HydrophobicContact CE2-CB 3.85Å; F181-N275 HydrophobicContact CG-CB 4.24Å; F181-N275 HydrophobicContact CZ-CB 3.44Å; F181-N275 VanDerWaalsContact CZ-CB 3.44Å; F181-N275 PolarHBondContact N-O 2.92Å; F181-N275 PolarHBondContact O-N 2.97Å; N235-N275 PolarHBondContact ND2-OD1 2.74Å; N235-N275 WeakPolarHBondContact OD1-CA 3.48Å; V267-N275 WeakPolarHBondContact CA-OD1 3.25Å; V267-N275 WeakPolarHBondContact CG1-OD1 3.48Å; R268-N275 PolarHBondContact N-OD1 2.67Å; R268-N275 PolarHBondContact O-ND2 2.74Å
276Q98.5Very high95.4Very high82 Ų8247 Ų4738%0.38329%0.288SS..EExtended strand (participates in β ladder)trans-117.4135.8178.7-169.1-173.230.200110.5F179 I180 V234 N235F179-Q276 WeakPolarHBondContact O-CA 3.43Å; I180-Q276 HydrophobicContact CG1-CG 4.43Å; V234-Q276 WeakPolarHBondContact CA-O 3.41Å; N235-Q276 PolarHBondContact N-O 3.03Å; N235-Q276 PolarHBondContact OD1-N 3.42Å
277I98.8Very high95.1Very high0 Ų049.7 Ų49.70%030%0.298CS..EExtended strand (participates in β ladder)trans-116.2129.8169.3-52.1175.3000107.7F178 F179 F181 L211 I232 K233 V234 I263 I279 M291 V293F178-I277 CarbonylContact C-O 3.55Å; F178-I277 WeakPolarHBondContact CA-O 3.45Å; F179-I277 HydrophobicContact CB-CB 4.39Å; F179-I277 PolarHBondContact N-O 2.74Å; F179-I277 PolarHBondContact O-N 2.82Å; F181-I277 HydrophobicContact CD1-CD1 4.36Å; F181-I277 HydrophobicContact CE1-CD1 3.93Å; F181-I277 HydrophobicContact CE1-CG1 4.08Å; L211-I277 HydrophobicContact CD2-CG2 4.37Å; I232-I277 HydrophobicContact CG2-CG2 4.06Å; K233-I277 CarbonylContact O-C 3.52Å; K233-I277 WeakPolarHBondContact O-CA 3.32Å; V234-I277 HydrophobicContact CG2-CG1 4.41Å; V234-I277 HydrophobicContact CG2-CG2 4.47Å; I263-I277 HydrophobicContact CD1-CD1 3.83Å; I263-I277 HydrophobicContact CD1-CG1 4.46Å; I277-I279 HydrophobicContact CG2-CD1 4.42Å; I277-I279 HydrophobicContact CG2-CG1 3.86Å; I277-M291 HydrophobicContact CD1-CE 4.43Å; I277-V293 HydrophobicContact CD1-CG2 3.72Å
278S98.4Very high94.8Very high6 Ų652.9 Ų52.94%0.04232%0.315CS..EExtended strand (participates in β ladder)trans-102.1134.9158.5-175.10000109.2E176 I232 K233E176-S278 WeakPolarHBondContact CG-OG 3.47Å; E176-S278 PolarHBondContact OE1-OG 3.19Å; I232-S278 WeakPolarHBondContact CA-O 3.29Å; K233-S278 PolarHBondContact N-O 2.9Å; K233-S278 PolarHBondContact O-N 3.22Å
279I98.1Very high94.7Very high0 Ų047.1 Ų47.10%029%0.293CS..EExtended strand (participates in β ladder)trans-118.6123.2170.5-56.2-176.2000107.4L166 E176 K177 F179 L211 L213 L230 I277 W281 M291L166-I279 HydrophobicContact CD1-CG2 4.38Å; E176-I279 WeakPolarHBondContact CA-O 3.4Å; K177-I279 PolarHBondContact N-O 2.79Å; K177-I279 PolarHBondContact O-N 3.31Å; F179-I279 HydrophobicContact CD2-CD1 4.26Å; F179-I279 HydrophobicContact CD2-CG1 4.27Å; F179-I279 HydrophobicContact CE2-CB 4.31Å; F179-I279 HydrophobicContact CE2-CD1 4Å; F179-I279 HydrophobicContact CE2-CG1 4.14Å; L211-I279 HydrophobicContact CD1-CD1 4.41Å; L213-I279 HydrophobicContact CD2-CD1 4.48Å; L213-I279 HydrophobicContact CD2-CG2 4.39Å; L230-I279 HydrophobicContact CD1-CG2 3.64Å; I277-I279 HydrophobicContact CG2-CD1 4.42Å; I277-I279 HydrophobicContact CG2-CG1 3.86Å; I279-W281 HydrophobicContact CG2-CE3 4.13Å; I279-W281 WeakPolarHBondContact O-CZ3 3.48Å; I279-M291 HydrophobicContact CD1-CB 3.96Å; I279-M291 HydrophobicContact CD1-CE 3.7Å; I279-M291 HydrophobicContact CD1-CG 4.05Å
280S96.9Very high94.7Very high23 Ų2344.7 Ų44.716%0.16128%0.28CS..EExtended strand (participates in β ladder)trans-114.1139172-23.30000110Q175 E176 L230 C231Q175-S280 CarbonylContact O-C 3.44Å; Q175-S280 WeakPolarHBondContact O-CA 3.21Å; E176-S280 PolarHBondContact OE1-OG 3.24Å; L230-S280 WeakPolarHBondContact CA-O 3.36Å; C231-S280 PolarHBondContact N-O 2.9Å; C231-S280 PolarHBondContact O-N 3.24Å
281W95.6Very high94.7Very high2 Ų242.6 Ų42.61%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-152.5166.6-179.272.3102.9000112.1L166 V167 Q168 F174 Q175 K177 P227 I279L166-W281 HydrophobicContact CB-CH2 3.89Å; L166-W281 HydrophobicContact CB-CZ2 3.64Å; L166-W281 HydrophobicContact CB-CZ3 4.45Å; L166-W281 HydrophobicContact CD1-CD2 4.37Å; L166-W281 HydrophobicContact CD1-CE3 4.42Å; L166-W281 HydrophobicContact CD2-CH2 4.5Å; L166-W281 HydrophobicContact CD2-CZ3 4.44Å; L166-W281 WeakPolarHBondContact O-CZ2 3.18Å; V167-W281 WeakPolarHBondContact O-CZ2 3.46Å; Q168-W281 HydrophobicContact CG-CZ2 4.26Å; F174-W281 WeakPolarHBondContact CA-O 3.47Å; Q175-W281 HydrophobicContact CB-CD2 3.79Å; Q175-W281 HydrophobicContact CB-CE3 3.94Å; Q175-W281 HydrophobicContact CB-CH2 3.61Å; Q175-W281 HydrophobicContact CB-CZ2 3.45Å; Q175-W281 VanDerWaalsContact CB-CZ2 3.45Å; Q175-W281 HydrophobicContact CB-CZ3 3.86Å; Q175-W281 HydrophobicContact CG-CD2 4.47Å; Q175-W281 HydrophobicContact CG-CH2 4.44Å; Q175-W281 HydrophobicContact CG-CZ2 3.83Å; Q175-W281 PolarHBondContact N-O 2.8Å; Q175-W281 PolarHBondContact O-N 3.38Å; K177-W281 HydrophobicContact CB-CH2 4.01Å; K177-W281 HydrophobicContact CB-CZ3 3.85Å; P227-W281 HydrophobicContact CB-CB 3.78Å; P227-W281 HydrophobicContact CB-CG 3.92Å; P227-W281 HydrophobicContact CG-CB 3.57Å; P227-W281 HydrophobicContact CG-CG 3.93Å; I279-W281 HydrophobicContact CG2-CE3 4.13Å; I279-W281 WeakPolarHBondContact O-CZ3 3.48Å
282A92.9Very high94.8Very high2 Ų239.8 Ų39.82%0.01725%0.246CC..EExtended strand (participates in β ladder)trans-94131.7167.600000110.2R173 F174 N228R173-A282 CarbonylContact O-C 3.46Å; R173-A282 VanDerWaalsContact O-CA 3.26Å; R173-A282 WeakPolarHBondContact O-CA 3.42Å; F174-A282 HydrophobicContact CD1-CB 4.2Å; F174-A282 HydrophobicContact CE1-CB 4.05Å; N228-A282 HydrophobicContact CB-CB 4.36Å; N228-A282 PolarHBondContact O-N 3.2Å
283S90.1Very high94.9Very high36 Ų3635.5 Ų35.525%0.25221%0.211SC..  trans-65.3148.6175.446.80000112Q172 R173Q172-S283 PolarHBondContact O-OG 3.48Å; R173-S283 PolarHBondContact O-N 3.01Å; R173-S283 PolarHBondContact O-OG 3.28Å; R173-S283 VanDerWaalsContact O-OG 3.1Å
284E87.9Confident94.9Very high26 Ų2633.7 Ų33.712%0.12120%0.197CC..BIsolated β-bridgetrans-131.3121.2178.6-76.1-175.7-89.600108.7N228 K255 G286 K287 Y289N228-E284 HydrophobicContact CB-CG 4.29Å; N228-E284 VanDerWaalsContact CG-CD 3.42Å; N228-E284 PolarHBondContact ND2-OE2 2.88Å; N228-E284 PolarHBondContact OD1-OE1 3.46Å; K255-E284 IonicContact NZ-OE1 2.71Å; E284-G286 PolarHBondContact O-N 3.4Å; E284-K287 HydrophobicContact CB-CB 4.01Å; E284-K287 HydrophobicContact CB-CD 4.16Å; E284-K287 HydrophobicContact CB-CG 4.42Å; E284-K287 PolarHBondContact O-N 3.15Å; E284-K287 WeakPolarHBondContact OE2-CD 3.46Å; E284-K287 IonicContact OE2-NZ 3.54Å; E284-K287 PolarHBondContact OE2-NZ 3.13Å; E284-Y289 PolarHBondContact OE1-OH 3.34Å
285I85.8Confident95Very high181 Ų18130.3 Ų30.393%0.92818%0.175SC*.THydrogen-bonded Turntrans-57.1126.5179.8-58.1174.2000109.3K287I285-K287 VanDerWaalsContact C-N 3.34Å; I285-K287 PolarHBondContact O-N 3.14Å
286G86.5Confident95Very high81 Ų8130.3 Ų30.384%0.83518%0.175SC*.THydrogen-bonded Turntrans78.64.9-179.600000115.8E284E284-G286 PolarHBondContact O-N 3.4Å
287K89.9Confident94.9Very high89 Ų8930.3 Ų30.339%0.38717%0.171SC..BIsolated β-bridgetrans-124.4103.6176.3-61.4179.1-161.3162.40111.8Q168 L215 E284 I285 Y289Q168-K287 PolarHBondContact NE2-O 2.96Å; L215-K287 HydrophobicContact CD2-CB 4.31Å; E284-K287 HydrophobicContact CB-CB 4.01Å; E284-K287 HydrophobicContact CB-CD 4.16Å; E284-K287 HydrophobicContact CB-CG 4.42Å; E284-K287 PolarHBondContact O-N 3.15Å; E284-K287 WeakPolarHBondContact OE2-CD 3.46Å; E284-K287 IonicContact OE2-NZ 3.54Å; E284-K287 PolarHBondContact OE2-NZ 3.13Å; I285-K287 VanDerWaalsContact C-N 3.34Å; I285-K287 PolarHBondContact O-N 3.14Å; K287-Y289 HydrophobicContact CB-CE2 3.84Å
288N92.2Very high94.8Very high80 Ų8032 Ų3243%0.42818%0.18SC..  trans-85.2149.2166.2-68.3-45.7000110A216A216-N288 HydrophobicContact CB-CB 3.76Å; A216-N288 PolarHBondContact N-O 2.92Å
289Y95.3Very high94.6Very high1 Ų131.8 Ų31.80%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-127.8152.2-178.6-71-91000110.5L166 C214 L215 P227 K255 E284 K287L166-Y289 WeakPolarHBondContact CB-O 3.47Å; L166-Y289 PolarHBondContact N-O 3.27Å; C214-Y289 CarbonylContact O-C 3.51Å; C214-Y289 VanDerWaalsContact O-CA 3.27Å; C214-Y289 WeakPolarHBondContact O-CA 3.29Å; C214-Y289 WeakPolarHBondContact O-CD1 3.2Å; L215-Y289 HydrophobicContact CD2-CD1 4Å; L215-Y289 HydrophobicContact CD2-CE1 3.55Å; L215-Y289 HydrophobicContact CD2-CE2 4.41Å; L215-Y289 HydrophobicContact CG-CE1 4.36Å; P227-Y289 HydrophobicContact CB-CD1 4.17Å; P227-Y289 HydrophobicContact CB-CD2 3.78Å; P227-Y289 HydrophobicContact CB-CE1 4.18Å; P227-Y289 HydrophobicContact CB-CE2 3.77Å; P227-Y289 HydrophobicContact CB-CG 3.98Å; K255-Y289 PolarHBondContact NZ-OH 3.49Å; E284-Y289 PolarHBondContact OE1-OH 3.34Å; K287-Y289 HydrophobicContact CB-CE2 3.84Å
290S96.9Very high94.5Very high0 Ų034.4 Ų34.40%019%0.194CC..EExtended strand (participates in β ladder)trans-127.3141177.6-176.30000110T164 L213 C214T164-S290 PolarHBondContact N-OG 2.87Å; T164-S290 WeakPolarHBondContact O-CA 3.44Å; T164-S290 PolarHBondContact O-OG 2.73Å; L213-S290 WeakPolarHBondContact CA-O 3.45Å; C214-S290 PolarHBondContact N-O 3.36Å; C214-S290 PolarHBondContact O-N 2.98Å
291M97.7Very high94.5Very high0 Ų034 Ų340%019%0.191CC..EExtended strand (participates in β ladder)trans-113.7153.7173.87481.176.200110.9I161 P163 T164 L166 F179 L211 R212 L213 I277 I279 V293I161-M291 HydrophobicContact CD1-CE 4.46Å; I161-M291 HydrophobicContact CG2-SD 3.95Å; P163-M291 CarbonylContact C-O 3.51Å; P163-M291 WeakPolarHBondContact CA-O 3.41Å; T164-M291 PolarHBondContact N-O 3.32Å; T164-M291 PolarHBondContact O-N 3.46Å; L166-M291 HydrophobicContact CD2-CB 4.03Å; L166-M291 HydrophobicContact CD2-CG 3.77Å; L166-M291 HydrophobicContact CG-CB 4.5Å; F179-M291 HydrophobicContact CB-CE 4.06Å; F179-M291 HydrophobicContact CD1-CE 3.89Å; F179-M291 HydrophobicContact CD1-CG 4.14Å; F179-M291 HydrophobicContact CD1-SD 3.56Å; F179-M291 VanDerWaalsContact CD1-SD 3.56Å; F179-M291 HydrophobicContact CD2-CE 3.81Å; F179-M291 HydrophobicContact CD2-SD 4.41Å; F179-M291 HydrophobicContact CE1-CE 4.29Å; F179-M291 HydrophobicContact CE1-CG 3.59Å; F179-M291 HydrophobicContact CE1-SD 3.63Å; F179-M291 HydrophobicContact CE2-CE 4.22Å; F179-M291 HydrophobicContact CE2-CG 4.06Å; F179-M291 HydrophobicContact CE2-SD 4.48Å; F179-M291 HydrophobicContact CG-CE 3.63Å; F179-M291 HydrophobicContact CG-SD 3.98Å; F179-M291 HydrophobicContact CZ-CE 4.45Å; F179-M291 HydrophobicContact CZ-CG 3.56Å; F179-M291 HydrophobicContact CZ-SD 4.12Å; L211-M291 HydrophobicContact CD1-CE 3.78Å; R212-M291 WeakPolarHBondContact O-CA 3.44Å; L213-M291 HydrophobicContact CG-CB 4.35Å; I277-M291 HydrophobicContact CD1-CE 4.43Å; I279-M291 HydrophobicContact CD1-CB 3.96Å; I279-M291 HydrophobicContact CD1-CE 3.7Å; I279-M291 HydrophobicContact CD1-CG 4.05Å; M291-V293 HydrophobicContact CE-CG2 3.97Å
292S98.3Very high94.6Very high0 Ų036.9 Ų36.90%022%0.216CC..EExtended strand (participates in β ladder)trans-152.4152.5177.546.10000110.3I161 L211 R212 Y294I161-S292 WeakPolarHBondContact O-CA 3.31Å; L211-S292 WeakPolarHBondContact CD1-O 3.48Å; R212-S292 PolarHBondContact N-O 3.12Å; R212-S292 PolarHBondContact O-N 3.4Å; S292-Y294 VanDerWaalsContact OG-CE2 3.26Å; S292-Y294 WeakPolarHBondContact OG-CE2 3.43Å
293V98.6Very high94.8Very high0 Ų040.3 Ų40.30%023%0.232CC..EExtended strand (participates in β ladder)trans-130.5130.3178.1-173.70000109.2L160 I161 V209 Q210 L211 I277 M291L160-V293 HydrophobicContact CB-CB 4.37Å; L160-V293 HydrophobicContact CB-CG1 4.15Å; L160-V293 HydrophobicContact CD1-CG1 4.28Å; L160-V293 PolarHBondContact N-O 3.46Å; I161-V293 HydrophobicContact CB-CB 3.88Å; I161-V293 HydrophobicContact CB-CG2 4.01Å; I161-V293 HydrophobicContact CD1-CB 4.34Å; I161-V293 HydrophobicContact CD1-CG2 3.84Å; I161-V293 HydrophobicContact CG1-CB 3.98Å; I161-V293 HydrophobicContact CG1-CG2 4.02Å; I161-V293 PolarHBondContact N-O 2.97Å; I161-V293 PolarHBondContact O-N 3.1Å; V209-V293 HydrophobicContact CG1-CG1 3.59Å; Q210-V293 WeakPolarHBondContact O-CA 3.34Å; L211-V293 HydrophobicContact CD1-CG2 3.99Å; I277-V293 HydrophobicContact CD1-CG2 3.72Å; M291-V293 HydrophobicContact CE-CG2 3.97Å
294Y98.8Very high95.2Very high24 Ų2438.6 Ų38.69%0.09422%0.22CC..EExtended strand (participates in β ladder)trans-122.8147.8-176.5-58.7-81.5000110.6V156 D158 V159 V209 Q210 R212 S292V156-Y294 HydrophobicContact CG1-CD1 3.79Å; V156-Y294 HydrophobicContact CG1-CG 4.5Å; V156-Y294 HydrophobicContact CG2-CD1 4.4Å; D158-Y294 CarbonylContact O-C 3.59Å; D158-Y294 WeakPolarHBondContact O-CA 3.45Å; V159-Y294 HydrophobicContact CB-CD1 4.37Å; V159-Y294 HydrophobicContact CB-CE1 4.43Å; V159-Y294 HydrophobicContact CG1-CD1 4.22Å; V159-Y294 HydrophobicContact CG1-CE1 3.94Å; V159-Y294 HydrophobicContact CG2-CD1 4Å; V159-Y294 HydrophobicContact CG2-CE1 3.96Å; V209-Y294 WeakPolarHBondContact CA-O 3.33Å; Q210-Y294 PolarHBondContact N-O 3.44Å; Q210-Y294 PolarHBondContact O-N 3.45Å; R212-Y294 HydrophobicContact CB-CE2 4.44Å; R212-Y294 HydrophobicContact CG-CD2 4.3Å; R212-Y294 HydrophobicContact CG-CE2 4.34Å; S292-Y294 VanDerWaalsContact OG-CE2 3.26Å; S292-Y294 WeakPolarHBondContact OG-CE2 3.43Å
295L98.8Very high95.7Very high3 Ų338.6 Ų38.62%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-87.5126.2155.3-173.169.5000107.1L157 D158 L160 Q187 I191 V207 V209L157-L295 HydrophobicContact CB-CB 4.42Å; L157-L295 HydrophobicContact CB-CD2 4.2Å; L157-L295 HydrophobicContact CB-CG 4.21Å; L157-L295 HydrophobicContact CD1-CD2 4.38Å; L157-L295 HydrophobicContact CD1-CG 4.32Å; L157-L295 PolarHBondContact N-O 2.98Å; D158-L295 HydrophobicContact CB-CB 4.04Å; D158-L295 PolarHBondContact N-O 2.9Å; D158-L295 PolarHBondContact O-N 2.86Å; L160-L295 HydrophobicContact CD1-CB 4.17Å; L160-L295 HydrophobicContact CG-CB 4.25Å; Q187-L295 HydrophobicContact CB-CD2 3.9Å; Q187-L295 HydrophobicContact CG-CD2 3.65Å; I191-L295 HydrophobicContact CD1-CD1 3.83Å; I191-L295 HydrophobicContact CG1-CD1 3.88Å; V207-L295 HydrophobicContact CG1-CD1 3.79Å; V207-L295 HydrophobicContact CG1-CG 4.12Å; V209-L295 HydrophobicContact CG2-CD1 4.45Å
296V98.6Very high96.3Very high0 Ų035.9 Ų35.90%020%0.204CC..EExtended strand (participates in β ladder)trans-132.3153.4-175.4-58.20000112Y154 D155 V156 V207 Q208 Q210Y154-V296 HydrophobicContact CD1-CB 4.28Å; Y154-V296 HydrophobicContact CD1-CG2 3.72Å; Y154-V296 HydrophobicContact CE1-CG2 4.41Å; D155-V296 CarbonylContact O-C 3.54Å; D155-V296 WeakPolarHBondContact O-CA 3.38Å; D155-V296 VanDerWaalsContact O-CB 3.32Å; D155-V296 WeakPolarHBondContact O-CB 3.5Å; V156-V296 HydrophobicContact CG2-CG1 4.42Å; V207-V296 CarbonylContact C-O 3.55Å; V207-V296 VanDerWaalsContact CA-O 3.28Å; V207-V296 WeakPolarHBondContact CA-O 3.43Å; Q208-V296 HydrophobicContact CB-CG2 3.99Å; Q208-V296 PolarHBondContact N-O 2.77Å; Q208-V296 PolarHBondContact O-N 3.34Å; Q210-V296 HydrophobicContact CB-CG1 4.08Å; Q210-V296 HydrophobicContact CB-CG2 3.74Å
297R97.6Very high96.9Very high82 Ų8236 Ų3631%0.30918%0.179SC..EExtended strand (participates in β ladder)trans-104.6114.5164.9-177.7177.9-60.3-76-5.5109.3Y154 D155 L157 T206 V207 L299Y154-R297 WeakPolarHBondContact CA-O 3.44Å; D155-R297 HydrophobicContact CB-CB 4.32Å; D155-R297 PolarHBondContact N-O 3.29Å; D155-R297 PolarHBondContact O-N 3.32Å; L157-R297 HydrophobicContact CD1-CB 4.22Å; L157-R297 HydrophobicContact CD2-CB 4.18Å; L157-R297 HydrophobicContact CG-CB 4.31Å; T206-R297 CarbonylContact O-C 3.53Å; T206-R297 WeakPolarHBondContact O-CA 3.35Å; V207-R297 HydrophobicContact CG2-CB 4.47Å; V207-R297 HydrophobicContact CG2-CG 4.48Å; R297-L299 HydrophobicContact CG-CD2 4.31Å
298Q95.8Very high97.3Very high36 Ų3631.8 Ų31.817%0.16816%0.161CC..EExtended strand (participates in β ladder)trans-66.5135.8169-172.9174.1-1000109.9F153 Y154 T206F153-Q298 CarbonylContact O-C 3.37Å; F153-Q298 WeakPolarHBondContact O-CA 3.28Å; Y154-Q298 HydrophobicContact CD1-CB 3.99Å; Y154-Q298 HydrophobicContact CD1-CG 4.3Å; Y154-Q298 HydrophobicContact CE1-CB 3.77Å; Y154-Q298 HydrophobicContact CE1-CG 3.8Å; T206-Q298 PolarHBondContact O-N 2.99Å
299L95.4Very high97.6Very high1 Ų133.6 Ų33.61%0.00517%0.165CC..  trans-110.9153-177.7-55174.5000110.2F153 R297 M303 L304 R307F153-L299 WeakPolarHBondContact CD1-O 3.24Å; F153-L299 PolarHBondContact O-N 3.15Å; R297-L299 HydrophobicContact CG-CD2 4.31Å; L299-M303 HydrophobicContact CB-CB 4.42Å; L299-M303 HydrophobicContact CB-SD 4.32Å; L299-M303 HydrophobicContact CD2-CE 3.58Å; L299-M303 HydrophobicContact CD2-SD 3.98Å; L299-L304 HydrophobicContact CB-CD2 4.08Å; L299-L304 HydrophobicContact CD1-CD2 3.7Å; L299-R307 VanDerWaalsContact CD1-NH1 3.29Å
300T95.3Very high97.7Very high55 Ų5539.8 Ų39.834%0.33720%0.196SC..  trans-92.1162.117467.70000112.2A302 M303 L304 E378T300-A302 PolarHBondContact O-N 3.24Å; T300-M303 PolarHBondContact O-N 3.35Å; T300-M303 WeakPolarHBondContact OG1-CG 3.37Å; T300-M303 PolarHBondContact OG1-N 3.06Å; T300-L304 PolarHBondContact O-N 3.42Å; T300-E378 WeakPolarHBondContact CA-OE1 3.47Å
301S97.4Very high97.6Very high15 Ų1544.7 Ų44.711%0.10522%0.217CC..Hα-helixtrans-54.8-33.9170.650.10000112.9L304 L305 Q375 E378S301-L304 PolarHBondContact O-N 2.86Å; S301-L305 VanDerWaalsContact O-CB 3.31Å; S301-L305 WeakPolarHBondContact O-CB 3.48Å; S301-L305 PolarHBondContact O-N 3.39Å; S301-Q375 WeakPolarHBondContact OG-CG 3.27Å; S301-E378 WeakPolarHBondContact CB-OE2 3.49Å; S301-E378 PolarHBondContact N-OE1 3.22Å; S301-E378 PolarHBondContact OG-OE2 2.88Å
302A97.1Very high97.5Very high63 Ų6346.5 Ų46.552%0.52124%0.235SC..Hα-helixtrans-66.5-41.2174.100000112.8T300 L305 Q306T300-A302 PolarHBondContact O-N 3.24Å; A302-L305 WeakPolarHBondContact O-CB 3.32Å; A302-L305 PolarHBondContact O-N 2.87Å; A302-Q306 PolarHBondContact O-N 3.29Å
303M97.5Very high97.5Very high74 Ų7451.2 Ų51.237%0.36526%0.26SS..Hα-helixtrans-65.4-40.1175.9-64.7171.885.900111.5L299 T300 L305 Q306 R307L299-M303 HydrophobicContact CB-CB 4.42Å; L299-M303 HydrophobicContact CB-SD 4.32Å; L299-M303 HydrophobicContact CD2-CE 3.58Å; L299-M303 HydrophobicContact CD2-SD 3.98Å; T300-M303 PolarHBondContact O-N 3.35Å; T300-M303 WeakPolarHBondContact OG1-CG 3.37Å; T300-M303 PolarHBondContact OG1-N 3.06Å; M303-L305 VanDerWaalsContact C-N 3.34Å; M303-Q306 PolarHBondContact O-N 2.94Å; M303-R307 WeakPolarHBondContact O-CG 3.2Å; M303-R307 PolarHBondContact O-N 2.82Å
304L98.3Very high97.4Very high0 Ų055.3 Ų55.30%028%0.275CS..Hα-helixtrans-69.1-32.6174.7-60.9-159.6000112.4P152 F153 L299 T300 S301 R307 L308 L374 Y394P152-L304 HydrophobicContact CB-CD1 3.92Å; P152-L304 WeakPolarHBondContact O-CD1 3.4Å; P152-L304 WeakPolarHBondContact O-CD2 3.5Å; F153-L304 HydrophobicContact CD1-CD1 3.51Å; F153-L304 HydrophobicContact CD1-CG 4.07Å; F153-L304 HydrophobicContact CD2-CD1 4.22Å; F153-L304 HydrophobicContact CE1-CD1 3.44Å; F153-L304 VanDerWaalsContact CE1-CD1 3.44Å; F153-L304 HydrophobicContact CE1-CG 4.03Å; F153-L304 HydrophobicContact CE2-CD1 4.16Å; F153-L304 HydrophobicContact CG-CD1 3.9Å; F153-L304 HydrophobicContact CZ-CD1 3.77Å; L299-L304 HydrophobicContact CB-CD2 4.08Å; L299-L304 HydrophobicContact CD1-CD2 3.7Å; T300-L304 PolarHBondContact O-N 3.42Å; S301-L304 PolarHBondContact O-N 2.86Å; L304-R307 PolarHBondContact O-N 3.18Å; L304-L308 WeakPolarHBondContact O-CB 3.33Å; L304-L308 PolarHBondContact O-N 3.39Å; L304-L374 HydrophobicContact CB-CD1 4.05Å; L304-L374 HydrophobicContact CB-CD2 4.11Å; L304-L374 HydrophobicContact CD1-CD2 4.37Å; L304-Y394 HydrophobicContact CB-CE2 3.94Å; L304-Y394 HydrophobicContact CD1-CD2 4.42Å; L304-Y394 HydrophobicContact CD1-CE2 4.43Å; L304-Y394 PolarHBondContact O-OH 2.92Å; L304-Y394 VanDerWaalsContact O-OH 3.11Å
305L98.6Very high97.4Very high26 Ų2657.9 Ų57.914%0.13629%0.291CS..Hα-helixtrans-66.7-40.9174.5-173.866.3000111.4S301 A302 M303 L308 K309 I355 A370 A371 L374S301-L305 VanDerWaalsContact O-CB 3.31Å; S301-L305 WeakPolarHBondContact O-CB 3.48Å; S301-L305 PolarHBondContact O-N 3.39Å; A302-L305 WeakPolarHBondContact O-CB 3.32Å; A302-L305 PolarHBondContact O-N 2.87Å; M303-L305 VanDerWaalsContact C-N 3.34Å; L305-L308 PolarHBondContact O-N 3.41Å; L305-K309 WeakPolarHBondContact O-CG 3.45Å; L305-K309 PolarHBondContact O-N 3.01Å; L305-I355 HydrophobicContact CD1-CD1 3.76Å; L305-I355 HydrophobicContact CD1-CG2 4.47Å; L305-I355 HydrophobicContact CD2-CD1 3.79Å; L305-I355 HydrophobicContact CG-CD1 4.05Å; L305-A370 HydrophobicContact CD1-CB 3.61Å; L305-A371 HydrophobicContact CD1-CB 4.31Å; L305-A371 HydrophobicContact CD2-CB 3.64Å; L305-L374 HydrophobicContact CB-CD1 3.84Å; L305-L374 HydrophobicContact CD1-CD1 4.05Å
306Q98.4Very high97.3Very high123 Ų12358.7 Ų58.758%0.57530%0.296SS*.Hα-helixtrans-62.3-46.1172.9-174.7-179.2-6.100111.1A302 M303 L308 K309 M310A302-Q306 PolarHBondContact O-N 3.29Å; M303-Q306 PolarHBondContact O-N 2.94Å; Q306-L308 VanDerWaalsContact C-N 3.33Å; Q306-L308 PolarHBondContact O-N 3.25Å; Q306-K309 WeakPolarHBondContact O-CB 3.13Å; Q306-K309 PolarHBondContact O-N 3.45Å; Q306-M310 HydrophobicContact CG-CE 4.28Å; Q306-M310 HydrophobicContact CG-SD 4.49Å; Q306-M310 WeakPolarHBondContact O-CG 3.35Å; Q306-M310 PolarHBondContact O-N 2.88Å
307R98.3Very high97.1Very high83 Ų8362.6 Ų62.631%0.31332%0.317SS..Hα-helixtrans-61-39.3175.2-72.5177.7-177.4-164.21.3112.6D155 L299 M303 L304 M310 K311 Y394D155-R307 VanDerWaalsContact CG-NH2 3.31Å; D155-R307 IonicContact OD1-CZ 3.27Å; D155-R307 IonicContact OD1-NH1 2.69Å; D155-R307 PolarHBondContact OD1-NH1 3.4Å; D155-R307 IonicContact OD1-NH2 3.11Å; D155-R307 PolarHBondContact OD1-NH2 3.37Å; D155-R307 VanDerWaalsContact OD1-NH2 3.11Å; D155-R307 IonicContact OD2-CZ 3.07Å; D155-R307 IonicContact OD2-NH1 2.81Å; D155-R307 IonicContact OD2-NH2 2.7Å; D155-R307 PolarHBondContact OD2-NH2 2.94Å; L299-R307 VanDerWaalsContact CD1-NH1 3.29Å; M303-R307 WeakPolarHBondContact O-CG 3.2Å; M303-R307 PolarHBondContact O-N 2.82Å; L304-R307 PolarHBondContact O-N 3.18Å; R307-M310 HydrophobicContact CB-CE 4.43Å; R307-M310 HydrophobicContact CG-CE 3.96Å; R307-M310 PolarHBondContact O-N 3.19Å; R307-K311 PolarHBondContact O-N 3.08Å; R307-Y394 WeakPolarHBondContact CB-OH 3.27Å
308L98.4Very high97Very high2 Ų263.3 Ų63.31%0.0132%0.323CS..Hα-helixtrans-66.8-36.6175.8-176.659.5000112.1L304 L305 Q306 K311 A370 Y394 L397 L399L304-L308 WeakPolarHBondContact O-CB 3.33Å; L304-L308 PolarHBondContact O-N 3.39Å; L305-L308 PolarHBondContact O-N 3.41Å; Q306-L308 VanDerWaalsContact C-N 3.33Å; Q306-L308 PolarHBondContact O-N 3.25Å; L308-K311 HydrophobicContact CD1-CD 4.32Å; L308-K311 PolarHBondContact O-N 2.83Å; L308-A370 HydrophobicContact CD2-CB 4.06Å; L308-Y394 HydrophobicContact CB-CE2 4.24Å; L308-Y394 PolarHBondContact N-OH 3.48Å; L308-L397 HydrophobicContact CD1-CB 3.9Å; L308-L397 HydrophobicContact CD2-CB 4.26Å; L308-L397 HydrophobicContact CD2-CD1 4.22Å; L308-L399 HydrophobicContact CD2-CD2 3.86Å; L308-L399 HydrophobicContact CG-CD2 3.9Å; L308-L399 HydrophobicContact CG-CG 4.2Å
309K98Very high97Very high117 Ų11761.6 Ų61.651%0.50932%0.315SS..Hα-helixtrans-64.3-39.4169.5-71.3-179.7-179.9-170.10112.1L305 Q306 K311 G312 I355 L399L305-K309 WeakPolarHBondContact O-CG 3.45Å; L305-K309 PolarHBondContact O-N 3.01Å; Q306-K309 WeakPolarHBondContact O-CB 3.13Å; Q306-K309 PolarHBondContact O-N 3.45Å; K309-K311 VanDerWaalsContact C-N 3.28Å; K309-K311 PolarHBondContact O-N 2.77Å; K309-G312 PolarHBondContact O-N 3.25Å; K309-I355 VanDerWaalsContact CE-CD1 3.44Å; K309-L399 HydrophobicContact CG-CD1 4.05Å
310M97.7Very high96.9Very high131 Ų13165.3 Ų65.365%0.64533%0.329SS*.Hα-helixtrans-70.3-18.3177.5-67.6-173.9-56.600113.8Q306 R307 G312Q306-M310 HydrophobicContact CG-CE 4.28Å; Q306-M310 HydrophobicContact CG-SD 4.49Å; Q306-M310 WeakPolarHBondContact O-CG 3.35Å; Q306-M310 PolarHBondContact O-N 2.88Å; R307-M310 HydrophobicContact CB-CE 4.43Å; R307-M310 HydrophobicContact CG-CE 3.96Å; R307-M310 PolarHBondContact O-N 3.19Å; M310-G312 PolarHBondContact O-N 2.78Å
311K95.7Very high96.8Very high104 Ų10465.3 Ų65.345%0.45234%0.335SS..THydrogen-bonded Turntrans-68.1-10.1166.2-71.7-175.8174.6-176.10113.2R307 L308 K309 E395R307-K311 PolarHBondContact O-N 3.08Å; L308-K311 HydrophobicContact CD1-CD 4.32Å; L308-K311 PolarHBondContact O-N 2.83Å; K309-K311 VanDerWaalsContact C-N 3.28Å; K309-K311 PolarHBondContact O-N 2.77Å; K311-E395 IonicContact NZ-OE2 3.01Å; K311-E395 PolarHBondContact NZ-OE2 2.72Å
312G95.5Very high96.6Very high37 Ų3765.9 Ų65.938%0.38134%0.337SS..  trans88.3170.5-179.500000113.9K309 M310K309-G312 PolarHBondContact O-N 3.25Å; M310-G312 PolarHBondContact O-N 2.78Å
313I97.6Very high96.5Very high100 Ų10062.9 Ų62.951%0.51331%0.312SS..EExtended strand (participates in β ladder)trans-95.8134.9174.9-59.9174.8000108L399 M404I313-L399 HydrophobicContact CG1-CB 4.38Å; I313-M404 HydrophobicContact CD1-CE 4.24Å; I313-M404 HydrophobicContact CD1-CG 4.47Å
314R97.7Very high96.2Very high85 Ų8564 Ų6432%0.32132%0.315SS..EExtended strand (participates in β ladder)trans-69.1133.5177-177.5176.1-173.2924.4109.7H318 I398 L399 G401R314-H318 HydrophobicContact CG-CB 4.33Å; R314-H318 VanDerWaalsContact NE-CB 3.34Å; R314-I398 HydrophobicContact CB-CB 4.47Å; R314-I398 VanDerWaalsContact CD-CD1 3.44Å; R314-L399 VanDerWaalsContact CB-O 3.29Å; R314-L399 WeakPolarHBondContact CB-O 3.32Å; R314-L399 PolarHBondContact N-O 3.28Å; R314-G401 WeakPolarHBondContact O-CA 3.19Å; R314-G401 PolarHBondContact O-N 3.21Å; R314-G401 VanDerWaalsContact O-N 3.12Å
315N97.7Very high95.8Very high79 Ų7970.3 Ų70.342%0.42234%0.344SS..PPolyproline II helixtrans-49.1123.5177179-11.5000110.4D317 H318N315-D317 PolarHBondContact ND2-OD2 2.8Å; N315-D317 PolarHBondContact O-N 3.3Å; N315-D317 VanDerWaalsContact O-N 3.09Å; N315-D317 WeakPolarHBondContact OD1-CB 3.3Å; N315-D317 PolarHBondContact OD1-N 2.84Å; N315-D317 PolarHBondContact OD1-OD2 2.88Å; N315-H318 PolarHBondContact O-N 3.02Å; N315-H318 VanDerWaalsContact O-N 3.09Å
316P96.6Very high95.5Very high20 Ų2072.1 Ų72.113%0.1335%0.351CS..THydrogen-bonded Turntrans-44.4-35173.3-28.430.8000115.1H318 S319 R320 L402 E405P316-H318 PolarHBondContact O-N 3.15Å; P316-S319 WeakPolarHBondContact O-CA 3.46Å; P316-S319 WeakPolarHBondContact O-CB 3.3Å; P316-S319 PolarHBondContact O-N 2.94Å; P316-R320 PolarHBondContact O-N 2.93Å; P316-L402 HydrophobicContact CB-CB 4.02Å; P316-L402 HydrophobicContact CB-CD1 4.45Å; P316-E405 WeakPolarHBondContact CB-OE2 3.49Å; P316-E405 HydrophobicContact CG-CG 4.36Å; P316-E405 VanDerWaalsContact CG-OE1 3.29Å; P316-E405 WeakPolarHBondContact CG-OE1 3.49Å
317D95.6Very high95.1Very high82 Ų8266.7 Ų66.744%0.43933%0.326SS..Hα-helixtrans-60.8-27.1-178-64-36.2000113.3N315 S319 R320 A321N315-D317 PolarHBondContact ND2-OD2 2.8Å; N315-D317 PolarHBondContact O-N 3.3Å; N315-D317 VanDerWaalsContact O-N 3.09Å; N315-D317 WeakPolarHBondContact OD1-CB 3.3Å; N315-D317 PolarHBondContact OD1-N 2.84Å; N315-D317 PolarHBondContact OD1-OD2 2.88Å; D317-S319 VanDerWaalsContact C-N 3.29Å; D317-S319 PolarHBondContact O-N 3.1Å; D317-R320 PolarHBondContact O-N 2.84Å; D317-R320 IonicContact OD1-CZ 3.5Å; D317-R320 IonicContact OD1-NH1 2.81Å; D317-R320 PolarHBondContact OD1-NH1 2.93Å; D317-A321 VanDerWaalsContact O-CB 3.24Å; D317-A321 WeakPolarHBondContact O-CB 3.19Å; D317-A321 PolarHBondContact O-N 3.27Å
318H95.4Very high94.6Very high96 Ų9667.7 Ų67.744%0.44434%0.341SS..Hα-helixtrans-66.4-33.1172.3-67.7-58.6000112.6R314 N315 P316 L322R314-H318 HydrophobicContact CG-CB 4.33Å; R314-H318 VanDerWaalsContact NE-CB 3.34Å; N315-H318 PolarHBondContact O-N 3.02Å; N315-H318 VanDerWaalsContact O-N 3.09Å; P316-H318 PolarHBondContact O-N 3.15Å; H318-L322 WeakPolarHBondContact O-CB 3.42Å; H318-L322 PolarHBondContact O-N 2.86Å; H318-L322 VanDerWaalsContact O-N 3.15Å
319S94.7Very high94Very high0 Ų070.1 Ų70.10%036%0.362CS..Hα-helixtrans-79.1-37.8175.5-64.10000110.6P316 D317 A321 L322 I323 R358 D400P316-S319 WeakPolarHBondContact O-CA 3.46Å; P316-S319 WeakPolarHBondContact O-CB 3.3Å; P316-S319 PolarHBondContact O-N 2.94Å; D317-S319 VanDerWaalsContact C-N 3.29Å; D317-S319 PolarHBondContact O-N 3.1Å; S319-A321 VanDerWaalsContact C-N 3.34Å; S319-A321 PolarHBondContact O-N 3.25Å; S319-L322 PolarHBondContact O-N 2.62Å; S319-I323 WeakPolarHBondContact O-CB 3.36Å; S319-I323 WeakPolarHBondContact O-CD1 3.5Å; S319-I323 VanDerWaalsContact O-CG1 3.26Å; S319-I323 WeakPolarHBondContact O-CG1 3.49Å; S319-I323 PolarHBondContact O-N 3.46Å; S319-R358 PolarHBondContact OG-NH2 2.94Å; S319-D400 WeakPolarHBondContact CB-OD1 3.34Å; S319-D400 PolarHBondContact OG-OD1 3.31Å; S319-D400 PolarHBondContact OG-OD2 3.26Å
320R94.1Very high93.3Very high79 Ų7969.1 Ų69.130%0.29836%0.362SS..Hα-helixtrans-60.6-40.8171-60.1175.7-173.2136.91.7111.8P316 D317 I323 K324 L402 E405P316-R320 PolarHBondContact O-N 2.93Å; D317-R320 PolarHBondContact O-N 2.84Å; D317-R320 IonicContact OD1-CZ 3.5Å; D317-R320 IonicContact OD1-NH1 2.81Å; D317-R320 PolarHBondContact OD1-NH1 2.93Å; R320-I323 WeakPolarHBondContact O-CB 3.26Å; R320-I323 PolarHBondContact O-N 2.83Å; R320-K324 WeakPolarHBondContact O-CG 3.49Å; R320-K324 PolarHBondContact O-N 2.85Å; R320-L402 HydrophobicContact CG-CD1 4.07Å; R320-L402 HydrophobicContact CG-CD2 3.96Å; R320-E405 IonicContact CZ-OE2 3.41Å; R320-E405 IonicContact NH2-OE1 3.79Å; R320-E405 PolarHBondContact NH2-OE1 3.28Å; R320-E405 IonicContact NH2-OE2 3.24Å; R320-E405 PolarHBondContact NH2-OE2 3.19Å
321A93.3Very high92.7Very high56 Ų5668.7 Ų68.746%0.46337%0.37SS..Hα-helixtrans-64.5-45.2174.400000112.1D317 S319 I323 K324 E325D317-A321 VanDerWaalsContact O-CB 3.24Å; D317-A321 WeakPolarHBondContact O-CB 3.19Å; D317-A321 PolarHBondContact O-N 3.27Å; S319-A321 VanDerWaalsContact C-N 3.34Å; S319-A321 PolarHBondContact O-N 3.25Å; A321-I323 VanDerWaalsContact C-N 3.29Å; A321-I323 PolarHBondContact O-N 3.12Å; A321-K324 PolarHBondContact O-N 3.04Å; A321-E325 WeakPolarHBondContact O-CB 3.44Å; A321-E325 PolarHBondContact O-N 3.14Å
322L93.1Very high92.2Very high27 Ų2771.2 Ų71.214%0.14139%0.388CS..Hα-helixtrans-67.5-27176.5-177.861.5000113.2H318 S319 E325 K326 L365H318-L322 WeakPolarHBondContact O-CB 3.42Å; H318-L322 PolarHBondContact O-N 2.86Å; H318-L322 VanDerWaalsContact O-N 3.15Å; S319-L322 PolarHBondContact O-N 2.62Å; L322-E325 WeakPolarHBondContact CD1-OE2 3.4Å; L322-K326 HydrophobicContact CD1-CD 4.47Å; L322-K326 WeakPolarHBondContact O-CB 3.06Å; L322-K326 VanDerWaalsContact O-CG 3.24Å; L322-K326 WeakPolarHBondContact O-CG 3.48Å; L322-K326 PolarHBondContact O-N 2.73Å; L322-L365 HydrophobicContact CB-CD2 4.3Å; L322-L365 HydrophobicContact CD2-CD2 3.88Å; L322-L365 HydrophobicContact CG-CD2 4.02Å
323I93.6Very high91.8Very high0 Ų072 Ų720%039%0.388CS..Hα-helixtrans-66.7-51.1168.8-74.5156.7000109.4S319 R320 A321 K326 L327 L340 L365 L402 F418S319-I323 WeakPolarHBondContact O-CB 3.36Å; S319-I323 WeakPolarHBondContact O-CD1 3.5Å; S319-I323 VanDerWaalsContact O-CG1 3.26Å; S319-I323 WeakPolarHBondContact O-CG1 3.49Å; S319-I323 PolarHBondContact O-N 3.46Å; R320-I323 WeakPolarHBondContact O-CB 3.26Å; R320-I323 PolarHBondContact O-N 2.83Å; A321-I323 VanDerWaalsContact C-N 3.29Å; A321-I323 PolarHBondContact O-N 3.12Å; I323-K326 PolarHBondContact O-N 3.13Å; I323-K326 VanDerWaalsContact O-N 3.13Å; I323-L327 HydrophobicContact CG2-CD1 3.6Å; I323-L327 HydrophobicContact CG2-CG 4.38Å; I323-L327 WeakPolarHBondContact O-CG 3.42Å; I323-L327 PolarHBondContact O-N 3.47Å; I323-L340 HydrophobicContact CG2-CD1 4.49Å; I323-L365 HydrophobicContact CD1-CD1 4.48Å; I323-L365 HydrophobicContact CD1-CD2 4.48Å; I323-L365 HydrophobicContact CG1-CD1 3.5Å; I323-L365 VanDerWaalsContact CG1-CD1 3.5Å; I323-L365 HydrophobicContact CG1-CD2 3.85Å; I323-L365 HydrophobicContact CG1-CG 4.34Å; I323-L402 HydrophobicContact CD1-CD2 3.45Å; I323-L402 VanDerWaalsContact CD1-CD2 3.45Å; I323-F418 HydrophobicContact CD1-CD1 3.58Å; I323-F418 HydrophobicContact CD1-CD2 3.86Å; I323-F418 HydrophobicContact CD1-CE1 3.53Å; I323-F418 HydrophobicContact CD1-CE2 3.79Å; I323-F418 HydrophobicContact CD1-CG 3.76Å; I323-F418 HydrophobicContact CD1-CZ 3.63Å; I323-F418 HydrophobicContact CG1-CD1 4.46Å; I323-F418 HydrophobicContact CG1-CD2 4.16Å; I323-F418 HydrophobicContact CG1-CE2 4.4Å; I323-F418 HydrophobicContact CG1-CG 4.18Å; I323-F418 HydrophobicContact CG2-CB 3.92Å; I323-F418 HydrophobicContact CG2-CG 4.26Å
324K91.4Very high91.2Very high97 Ų9777.1 Ų77.142%0.42241%0.409SS..Hα-helixtrans-61.2-46.4179-71.5-178177.2-1700112.3R320 A321 K326 L327 T328 D421R320-K324 WeakPolarHBondContact O-CG 3.49Å; R320-K324 PolarHBondContact O-N 2.85Å; A321-K324 PolarHBondContact O-N 3.04Å; K324-K326 PolarHBondContact O-N 2.94Å; K324-K326 VanDerWaalsContact O-N 3.14Å; K324-L327 CarbonylContact O-C 3.34Å; K324-L327 PolarHBondContact O-N 2.67Å; K324-T328 PolarHBondContact O-N 3.07Å; K324-T328 PolarHBondContact O-OG1 3.01Å; K324-D421 WeakPolarHBondContact CE-O 3.36Å; K324-D421 PolarHBondContact NZ-O 3.35Å
325E90.8Very high90.6Very high132 Ų13279.9 Ų79.962%0.61743%0.429SS*.Hα-helixtrans-49.6-39.2172.6-174.8-161.713000112.8A321 L322A321-E325 WeakPolarHBondContact O-CB 3.44Å; A321-E325 PolarHBondContact O-N 3.14Å; L322-E325 WeakPolarHBondContact CD1-OE2 3.4Å
326K91.2Very high90Very high64 Ų6478.6 Ų78.628%0.27843%0.429SS..Hα-helixtrans-87-15.5-178.7-72.8-179.5-173.6-46.50115L322 I323 K324 L340 T363 L365L322-K326 HydrophobicContact CD1-CD 4.47Å; L322-K326 WeakPolarHBondContact O-CB 3.06Å; L322-K326 VanDerWaalsContact O-CG 3.24Å; L322-K326 WeakPolarHBondContact O-CG 3.48Å; L322-K326 PolarHBondContact O-N 2.73Å; I323-K326 PolarHBondContact O-N 3.13Å; I323-K326 VanDerWaalsContact O-N 3.13Å; K324-K326 PolarHBondContact O-N 2.94Å; K324-K326 VanDerWaalsContact O-N 3.14Å; K326-L340 HydrophobicContact CB-CD1 3.61Å; K326-L340 HydrophobicContact CD-CD1 4.23Å; K326-T363 WeakPolarHBondContact CE-O 3.22Å; K326-T363 PolarHBondContact NZ-O 3.41Å; K326-L365 HydrophobicContact CD-CD1 4.48Å
327L90.6Very high89.5Confident9 Ų980.9 Ų80.95%0.04744%0.443CS..Hα-helixtrans-100.4-17.5177.3-68.8177.8000112.1I323 K324 A329 T337 L340 Q419 E420I323-L327 HydrophobicContact CG2-CD1 3.6Å; I323-L327 HydrophobicContact CG2-CG 4.38Å; I323-L327 WeakPolarHBondContact O-CG 3.42Å; I323-L327 PolarHBondContact O-N 3.47Å; K324-L327 CarbonylContact O-C 3.34Å; K324-L327 PolarHBondContact O-N 2.67Å; L327-A329 PolarHBondContact O-N 2.7Å; L327-A329 VanDerWaalsContact O-N 3.12Å; L327-T337 HydrophobicContact CD2-CG2 4.14Å; L327-T337 WeakPolarHBondContact CD2-O 3.24Å; L327-L340 HydrophobicContact CD1-CD1 4.44Å; L327-L340 HydrophobicContact CD2-CD1 4.01Å; L327-L340 HydrophobicContact CD2-CG 3.74Å; L327-L340 HydrophobicContact CG-CD1 3.87Å; L327-L340 HydrophobicContact CG-CG 4.18Å; L327-Q419 VanDerWaalsContact CD1-C 3.45Å; L327-Q419 VanDerWaalsContact CD1-O 3.28Å; L327-Q419 WeakPolarHBondContact CD1-O 3.49Å; L327-E420 HydrophobicContact CB-CG 4.25Å
328T88.9Confident88.9Confident104 Ų10480.7 Ų80.764%0.63845%0.445SS*.SBendtrans-57.4115.9168.9-60.80000109.3K324 D330K324-T328 PolarHBondContact O-N 3.07Å; K324-T328 PolarHBondContact O-OG1 3.01Å; T328-D330 PolarHBondContact O-N 2.81Å
329A84.1Confident88.5Confident54 Ų5477.5 Ų77.545%0.44643%0.433SS..  trans-65.4130.8171.700000110.2L327 A336L327-A329 PolarHBondContact O-N 2.7Å; L327-A329 VanDerWaalsContact O-N 3.12Å; A329-A336 HydrophobicContact CB-CB 3.78Å
330D84.6Confident88.4Confident95 Ų9579 Ų7951%0.50844%0.441SS..  trans-71120.8165.1-178.4-16.2000107.9T328 D332 S333T328-D330 PolarHBondContact O-N 2.81Å; D330-D332 PolarHBondContact O-N 2.69Å; D330-D332 PolarHBondContact OD1-N 3.01Å; D330-S333 WeakPolarHBondContact O-CB 3.46Å; D330-S333 PolarHBondContact O-N 3.07Å
331P83.6Confident88.4Confident123 Ų12380.9 Ų80.980%0.79945%0.448SS*.THydrogen-bonded Turntrans-64.6-19.9-176.728-36.2000113.5
332D86.6Confident88.5Confident156 Ų15678.8 Ų78.883%0.83443%0.43SS*.THydrogen-bonded Turntrans-91.22.4175.9-65.5-32.2000112.3D330D330-D332 PolarHBondContact O-N 2.69Å; D330-D332 PolarHBondContact OD1-N 3.01Å
333S86.3Confident88.7Confident55 Ų5578.8 Ų78.839%0.38543%0.432SS..  trans-106.3122.3179.1-177.30000112.8D330 I335D330-S333 WeakPolarHBondContact O-CB 3.46Å; D330-S333 PolarHBondContact O-N 3.07Å; S333-I335 PolarHBondContact O-N 3.34Å; S333-I335 VanDerWaalsContact O-N 3.17Å; S333-I335 PolarHBondContact OG-N 3.49Å; S333-I335 PolarHBondContact OG-O 2.87Å
334E85.9Confident88.8Confident207 Ų20778.8 Ų78.897%0.96743%0.432SS*.SBendtrans-64-15.4170.7-61.6-177.5168.500113.4
335I84.4Confident89.1Confident142 Ų14276.3 Ų76.373%0.72842%0.423SS*.  trans-117.2109.6-177.6-55.1178.5000109.5S333S333-I335 PolarHBondContact O-N 3.34Å; S333-I335 VanDerWaalsContact O-N 3.17Å; S333-I335 PolarHBondContact OG-N 3.49Å; S333-I335 PolarHBondContact OG-O 2.87Å
336A85.4Confident89.5Confident52 Ų5270.1 Ų70.143%0.4339%0.394SS..  trans-97.9143.5173.700000111.6A329 T338A329-A336 HydrophobicContact CB-CB 3.78Å; A336-T338 PolarHBondContact O-N 2.94Å
337T85.8Confident89.7Confident69 Ų6968.8 Ų68.842%0.42339%0.392SS..  trans-86.694.1174.8-58.20000109.4L327 S339 L340L327-T337 HydrophobicContact CD2-CG2 4.14Å; L327-T337 WeakPolarHBondContact CD2-O 3.24Å; T337-S339 VanDerWaalsContact C-N 3.26Å; T337-S339 WeakPolarHBondContact CG2-O 3.49Å; T337-S339 PolarHBondContact O-N 3.05Å; T337-L340 HydrophobicContact CG2-CD2 3.88Å; T337-L340 HydrophobicContact CG2-CG 4.37Å
338T83.8Confident89.9Confident77 Ų7770.9 Ų70.947%0.47240%0.402SS..  trans-73-11.8-175.758.60000114.7A336A336-T338 PolarHBondContact O-N 2.94Å
339S86.3Confident90.2Very high29 Ų2967 Ų6720%0.20338%0.384CS..  trans-168.3157.5178.151.30000112.7T337 K417 F418T337-S339 VanDerWaalsContact C-N 3.26Å; T337-S339 WeakPolarHBondContact CG2-O 3.49Å; T337-S339 PolarHBondContact O-N 3.05Å; S339-K417 WeakPolarHBondContact OG-CE 3.31Å; S339-F418 WeakPolarHBondContact CA-O 3.44Å; S339-F418 WeakPolarHBondContact CB-O 3.49Å
340L92.5Very high90.7Very high32 Ų3272.1 Ų72.117%0.16840%0.396CS..EExtended strand (participates in β ladder)trans-121.4119.5176.9-67.4164.8000110.4I323 K326 L327 T337 L365 F418I323-L340 HydrophobicContact CG2-CD1 4.49Å; K326-L340 HydrophobicContact CB-CD1 3.61Å; K326-L340 HydrophobicContact CD-CD1 4.23Å; L327-L340 HydrophobicContact CD1-CD1 4.44Å; L327-L340 HydrophobicContact CD2-CD1 4.01Å; L327-L340 HydrophobicContact CD2-CG 3.74Å; L327-L340 HydrophobicContact CG-CD1 3.87Å; L327-L340 HydrophobicContact CG-CG 4.18Å; T337-L340 HydrophobicContact CG2-CD2 3.88Å; T337-L340 HydrophobicContact CG2-CG 4.37Å; L340-L365 HydrophobicContact CB-CD1 4.49Å; L340-L365 HydrophobicContact CD1-CD1 3.77Å; L340-F418 HydrophobicContact CB-CB 4.37Å; L340-F418 PolarHBondContact N-O 3.46Å; L340-F418 PolarHBondContact O-N 3Å
341R93.9Very high91.2Very high119 Ų11972.7 Ų72.745%0.44940%0.397SS..EExtended strand (participates in β ladder)trans-89.6136.4172.1-66.7174.761.7178.8-2.4110.1E415 I416 M427R341-E415 IonicContact CZ-OE2 3.71Å; R341-E415 IonicContact NE-OE2 3.96Å; R341-E415 PolarHBondContact NE-OE2 3.12Å; R341-E415 IonicContact NH2-OE1 3.57Å; R341-E415 IonicContact NH2-OE2 2.63Å; R341-E415 PolarHBondContact NH2-OE2 2.69Å; R341-I416 WeakPolarHBondContact CA-O 3.49Å; R341-M427 HydrophobicContact CG-SD 3.68Å; R341-M427 PolarHBondContact NE-SD 2.84Å
342V95.7Very high91.8Very high11 Ų1169.7 Ų69.77%0.06737%0.369CS..EExtended strand (participates in β ladder)trans-141.1154.7169.6-61.50000110.4L365 F403 E415 I416 F418V342-L365 HydrophobicContact CG1-CB 3.92Å; V342-F403 HydrophobicContact CB-CE1 4.47Å; V342-F403 HydrophobicContact CB-CZ 4.18Å; V342-F403 HydrophobicContact CG1-CZ 4.44Å; V342-F403 HydrophobicContact CG2-CE1 3.93Å; V342-F403 HydrophobicContact CG2-CZ 3.75Å; V342-E415 WeakPolarHBondContact O-CA 3.24Å; V342-I416 HydrophobicContact CG2-CD1 3.68Å; V342-I416 HydrophobicContact CG2-CG1 3.41Å; V342-I416 VanDerWaalsContact CG2-CG1 3.41Å; V342-I416 PolarHBondContact N-O 3.4Å; V342-I416 PolarHBondContact O-N 2.9Å; V342-F418 HydrophobicContact CG2-CD2 4.29Å; V342-F418 HydrophobicContact CG2-CE2 3.66Å
343S96.7Very high92.4Very high27 Ų2762.5 Ų62.519%0.18933%0.331CS..EExtended strand (participates in β ladder)trans-96.9141.6175.7-175.40000112M345 Q366 D414S343-M345 WeakPolarHBondContact OG-CB 3.35Å; S343-M345 PolarHBondContact OG-N 2.71Å; S343-Q366 PolarHBondContact O-NE2 3.08Å; S343-Q366 PolarHBondContact O-OE1 3.42Å; S343-D414 CarbonylContact C-O 3.52Å; S343-D414 VanDerWaalsContact CA-O 3.24Å; S343-D414 WeakPolarHBondContact CA-O 3.38Å; S343-D414 WeakPolarHBondContact CB-O 3.48Å; S343-D414 PolarHBondContact OG-O 2.93Å
344L97.1Very high92.9Very high0 Ų065 Ų650%034%0.344CS..SBendtrans-83.32.7168.3-59.6-176.4000112.2L353 F403 I406 L407 D414 I416L344-L353 WeakPolarHBondContact O-CB 3.28Å; L344-L353 WeakPolarHBondContact O-CG 3.4Å; L344-L353 PolarHBondContact O-N 3.02Å; L344-F403 HydrophobicContact CD2-CD1 3.99Å; L344-F403 HydrophobicContact CD2-CE1 4.24Å; L344-I406 HydrophobicContact CD1-CG2 4.02Å; L344-I406 HydrophobicContact CD2-CG2 4.14Å; L344-L407 HydrophobicContact CB-CD2 3.96Å; L344-L407 HydrophobicContact CD1-CD2 4.4Å; L344-L407 HydrophobicContact CD2-CD2 4.23Å; L344-L407 HydrophobicContact CD2-CG 4.48Å; L344-L407 HydrophobicContact CG-CD2 4.42Å; L344-D414 PolarHBondContact N-O 2.99Å; L344-I416 HydrophobicContact CD1-CG2 3.9Å; L344-I416 HydrophobicContact CD2-CD1 4.19Å; L344-I416 HydrophobicContact CD2-CG1 4.48Å; L344-I416 HydrophobicContact CG-CG2 4.23Å
345M97.3Very high93.5Very high46 Ų4655.8 Ų55.823%0.22730%0.301CS..BIsolated β-bridgetrans-94.6141.9175.4-57.2-61-10400111.5S343 P347 R352 D414S343-M345 WeakPolarHBondContact OG-CB 3.35Å; S343-M345 PolarHBondContact OG-N 2.71Å; M345-P347 WeakPolarHBondContact O-CD 3.46Å; M345-R352 WeakPolarHBondContact SD-CA 3.24Å; M345-R352 HydrophobicContact SD-CB 4Å; M345-R352 PolarHBondContact SD-N 3.24Å; M345-R352 VanDerWaalsContact SD-N 3.4Å; M345-D414 HydrophobicContact CG-CB 3.74Å; M345-D414 HydrophobicContact SD-CB 4.37Å; M345-D414 VanDerWaalsContact SD-OD1 3.33Å
346C98.1Very high94.1Very high1 Ų149 Ų491%0.00727%0.267CS..  trans-70121178.4-177.40000110.6L348 G349 K350 M351 L353 D369C346-L348 PolarHBondContact O-N 3.24Å; C346-L348 VanDerWaalsContact O-N 3.15Å; C346-G349 PolarHBondContact O-N 3.31Å; C346-K350 WeakPolarHBondContact O-CA 3.39Å; C346-K350 PolarHBondContact O-N 3.28Å; C346-M351 WeakPolarHBondContact CB-O 3.42Å; C346-M351 PolarHBondContact N-O 2.88Å; C346-L353 HydrophobicContact CB-CD2 3.86Å; C346-D369 HydrophobicContact CB-CB 4.12Å; C346-D369 PolarHBondContact SG-N 3.24Å
347P97.3Very high94.8Very high37 Ų3746.5 Ų46.524%0.2425%0.246CC..THydrogen-bonded Turntrans-62-28.2-17924.1-34000112.9M345 K350 C367 F368 V387M345-P347 WeakPolarHBondContact O-CD 3.46Å; P347-K350 WeakPolarHBondContact O-CE 3.43Å; P347-K350 PolarHBondContact O-NZ 3.19Å; P347-C367 VanDerWaalsContact CD-O 3.3Å; P347-C367 WeakPolarHBondContact CD-O 3.4Å; P347-F368 HydrophobicContact CG-CB 3.98Å; P347-V387 HydrophobicContact CB-CG2 4.43Å; P347-V387 HydrophobicContact CG-CG2 3.74Å
348L94.6Very high95.4Very high52 Ų5243.8 Ų43.827%0.27223%0.228SC..THydrogen-bonded Turntrans-74-59.3171.2-72.8171.5000113.4C346 L372 Y373 M376 P386C346-L348 PolarHBondContact O-N 3.24Å; C346-L348 VanDerWaalsContact O-N 3.15Å; L348-L372 HydrophobicContact CB-CD2 3.74Å; L348-L372 HydrophobicContact CB-CG 4.4Å; L348-Y373 HydrophobicContact CD1-CD2 4Å; L348-M376 HydrophobicContact CB-SD 4.44Å; L348-M376 HydrophobicContact CD1-SD 3.67Å; L348-M376 HydrophobicContact CD2-CE 3.83Å; L348-M376 HydrophobicContact CD2-SD 3.65Å; L348-M376 HydrophobicContact CG-SD 4.12Å; L348-P386 HydrophobicContact CD1-CB 3.93Å; L348-P386 HydrophobicContact CD1-CG 3.76Å; L348-P386 HydrophobicContact CD2-CB 3.52Å; L348-P386 HydrophobicContact CD2-CG 4.3Å; L348-P386 HydrophobicContact CG-CB 3.51Å; L348-P386 HydrophobicContact CG-CG 3.77Å
349G93.7Very high96.1Very high24 Ų2440.1 Ų40.125%0.24721%0.205CC..THydrogen-bonded Turntrans-88.6-11-167.800000116C346 M351 L372C346-G349 PolarHBondContact O-N 3.31Å; G349-M351 PolarHBondContact O-N 2.76Å; G349-M351 VanDerWaalsContact O-N 3.08Å; G349-L372 VanDerWaalsContact N-CD2 3.35Å
350K95.1Very high96.6Very high160 Ų16042.7 Ų42.770%0.69622%0.22SC*.SBendtrans53.823.1-173.5-47.6-51.9-172.1-1700114.3C346 P347C346-K350 WeakPolarHBondContact O-CA 3.39Å; C346-K350 PolarHBondContact O-N 3.28Å; P347-K350 WeakPolarHBondContact O-CE 3.43Å; P347-K350 PolarHBondContact O-NZ 3.19Å
351M95.4Very high96.8Very high108 Ų10844.9 Ų44.953%0.53224%0.235SC..SBendtrans-117.8160.2177.562.8-174.565.400109.4C346 G349 L353C346-M351 WeakPolarHBondContact CB-O 3.42Å; C346-M351 PolarHBondContact N-O 2.88Å; G349-M351 PolarHBondContact O-N 2.76Å; G349-M351 VanDerWaalsContact O-N 3.08Å; M351-L353 PolarHBondContact O-N 3.26Å
352R97.1Very high97Very high59 Ų5939.6 Ų39.622%0.22322%0.216CC..BIsolated β-bridgetrans-55.1136.5177.8-166.2171.5-16373.60.1111.3M345 T354 L407 C410 V413 D414M345-R352 WeakPolarHBondContact SD-CA 3.24Å; M345-R352 HydrophobicContact SD-CB 4Å; M345-R352 PolarHBondContact SD-N 3.24Å; M345-R352 VanDerWaalsContact SD-N 3.4Å; R352-T354 PolarHBondContact O-N 3.47Å; R352-L407 HydrophobicContact CG-CD2 4.09Å; R352-C410 PolarHBondContact NH2-O 2.91Å; R352-V413 PolarHBondContact NH1-O 3.3Å; R352-V413 PolarHBondContact NH2-O 3.5Å; R352-D414 IonicContact NH1-OD1 3.65Å
353L97.9Very high97Very high6 Ų643.1 Ų43.13%0.03124%0.237CC..  trans-57.5127.6172-69.7168.6000108.9L344 C346 M351 P356 C367 D369 F403 L407L344-L353 WeakPolarHBondContact O-CB 3.28Å; L344-L353 WeakPolarHBondContact O-CG 3.4Å; L344-L353 PolarHBondContact O-N 3.02Å; C346-L353 HydrophobicContact CB-CD2 3.86Å; M351-L353 PolarHBondContact O-N 3.26Å; L353-P356 HydrophobicContact CD1-CB 4.4Å; L353-C367 HydrophobicContact CD1-CB 4.04Å; L353-D369 HydrophobicContact CD2-CB 4.13Å; L353-F403 HydrophobicContact CD1-CD1 4.28Å; L353-L407 HydrophobicContact CB-CD1 3.68Å; L353-L407 HydrophobicContact CB-CD2 4.19Å
354T97.2Very high97Very high107 Ų10743.2 Ų43.266%0.65624%0.235SC*.SBendtrans-103.2-33.9172.9-56.30000110.2R352 D369R352-T354 PolarHBondContact O-N 3.47Å; T354-D369 PolarHBondContact N-OD2 3.46Å
355I98.1Very high96.9Very high13 Ų1343.6 Ų43.67%0.06724%0.237CC..SBendtrans-134.289177.2-57.5170.9000107.9L305 K309 C357 D369 A370 L399L305-I355 HydrophobicContact CD1-CD1 3.76Å; L305-I355 HydrophobicContact CD1-CG2 4.47Å; L305-I355 HydrophobicContact CD2-CD1 3.79Å; L305-I355 HydrophobicContact CG-CD1 4.05Å; K309-I355 VanDerWaalsContact CE-CD1 3.44Å; I355-C357 PolarHBondContact O-N 2.97Å; I355-D369 PolarHBondContact N-OD2 3.21Å; I355-A370 HydrophobicContact CB-CB 3.99Å; I355-A370 HydrophobicContact CG2-CB 3.57Å; I355-A370 PolarHBondContact O-N 2.85Å; I355-L399 HydrophobicContact CG2-CD1 4.18Å; I355-L399 HydrophobicContact CG2-CD2 3.58Å; I355-L399 HydrophobicContact CG2-CG 4.49Å
356P98.4Very high97Very high0 Ų043 Ų430%023%0.233CC..EExtended strand (participates in β ladder)trans-66120.3-176.127.6-36.4000111.2L353 C367 L399 D400 F403 M404 L407L353-P356 HydrophobicContact CD1-CB 4.4Å; P356-C367 HydrophobicContact CB-CB 3.93Å; P356-L399 WeakPolarHBondContact O-CA 3.3Å; P356-D400 PolarHBondContact O-N 2.85Å; P356-F403 HydrophobicContact CB-CB 3.48Å; P356-F403 VanDerWaalsContact CB-CB 3.48Å; P356-F403 HydrophobicContact CB-CG 4.29Å; P356-F403 HydrophobicContact CG-CB 3.7Å; P356-M404 HydrophobicContact CG-CB 4.4Å; P356-M404 HydrophobicContact CG-CE 4.16Å; P356-M404 HydrophobicContact CG-SD 4.47Å; P356-L407 HydrophobicContact CB-CD1 4.1Å; P356-L407 HydrophobicContact CG-CD1 3.8Å
357C98.6Very high97Very high0 Ų042.9 Ų42.90%023%0.233CC..EExtended strand (participates in β ladder)trans-136.5147.5-174.1171.70000111.7I355 C367 F368 A370 I398 L399I355-C357 PolarHBondContact O-N 2.97Å; C357-C367 WeakPolarHBondContact O-CA 3.33Å; C357-F368 WeakPolarHBondContact CA-O 3.47Å; C357-F368 HydrophobicContact CB-CD2 4.46Å; C357-F368 HydrophobicContact CB-CE2 4.31Å; C357-F368 WeakPolarHBondContact CB-O 3.08Å; C357-F368 PolarHBondContact N-O 3.01Å; C357-F368 WeakPolarHBondContact O-CD1 3.04Å; C357-F368 WeakPolarHBondContact O-CG 3.43Å; C357-F368 PolarHBondContact O-N 3.04Å; C357-F368 VanDerWaalsContact O-O 3.1Å; C357-A370 HydrophobicContact CB-CB 3.72Å; C357-I398 VanDerWaalsContact CA-O 3.29Å; C357-I398 WeakPolarHBondContact CA-O 3.28Å; C357-L399 HydrophobicContact CB-CD2 4.08Å
358R98.2Very high97Very high11 Ų1141.1 Ų41.14%0.04222%0.222CC..EExtended strand (participates in β ladder)trans-151173.7166.955.5-175.4175.5123.84.3109.5S319 C362 H364 F368 L397 I398 D400S319-R358 PolarHBondContact OG-NH2 2.94Å; R358-C362 HydrophobicContact CB-CB 4.36Å; R358-H364 PolarHBondContact NH1-O 3.21Å; R358-F368 HydrophobicContact CB-CE1 4.31Å; R358-L397 WeakPolarHBondContact O-CA 3.38Å; R358-I398 HydrophobicContact CG-CD1 4.19Å; R358-I398 HydrophobicContact CG-CG1 4.32Å; R358-I398 PolarHBondContact N-O 2.63Å; R358-I398 WeakPolarHBondContact O-CG1 3.33Å; R358-I398 PolarHBondContact O-N 2.78Å; R358-D400 IonicContact CZ-OD2 3.59Å; R358-D400 IonicContact NE-OD2 2.72Å; R358-D400 PolarHBondContact NE-OD2 3.31Å; R358-D400 IonicContact NH2-OD2 2.97Å; R358-D400 PolarHBondContact NH2-OD2 2.75Å
359A98.4Very high97.2Very high0 Ų039.2 Ų39.20%021%0.212CC..EExtended strand (participates in β ladder)trans-86.6150.4169.800000110.9T361 C362 A392 S396 L397A359-T361 WeakPolarHBondContact CB-OG1 3.4Å; A359-T361 PolarHBondContact O-N 3.41Å; A359-T361 VanDerWaalsContact O-N 3.13Å; A359-C362 WeakPolarHBondContact O-CB 3.2Å; A359-C362 PolarHBondContact O-N 2.9Å; A359-A392 HydrophobicContact CB-CB 3.8Å; A359-S396 CarbonylContact C-O 3.57Å; A359-S396 WeakPolarHBondContact CA-O 3.46Å; A359-L397 HydrophobicContact CB-CD2 4.48Å
360V97.4Very high97.5Very high83 Ų8338.1 Ų38.150%0.50320%0.2SC..THydrogen-bonded Turntrans-60.6-20.6172.1-64.20000112.9C362 S396 I398V360-C362 VanDerWaalsContact C-N 3.32Å; V360-S396 PolarHBondContact N-O 2.82Å; V360-I398 HydrophobicContact CG1-CB 4.37Å; V360-I398 HydrophobicContact CG1-CD1 3.99Å; V360-I398 HydrophobicContact CG1-CG1 4.03Å; V360-I398 HydrophobicContact CG1-CG2 3.48Å; V360-I398 VanDerWaalsContact CG1-CG2 3.48Å
361T97.1Very high97.6Very high79 Ų7931.6 Ų31.649%0.48518%0.176SC..THydrogen-bonded Turntrans-83.7-1.4174.949.30000113.9A359 K391A359-T361 WeakPolarHBondContact CB-OG1 3.4Å; A359-T361 PolarHBondContact O-N 3.41Å; A359-T361 VanDerWaalsContact O-N 3.13Å; T361-K391 PolarHBondContact OG1-O 3.39Å
362C97.5Very high97.8Very high7 Ų728.4 Ų28.45%0.04716%0.161CC..  trans-84113179.3-74.80000111.9R358 A359 V360 H364 C385R358-C362 HydrophobicContact CB-CB 4.36Å; A359-C362 WeakPolarHBondContact O-CB 3.2Å; A359-C362 PolarHBondContact O-N 2.9Å; V360-C362 VanDerWaalsContact C-N 3.32Å; C362-H364 WeakPolarHBondContact CB-NE2 3.35Å; C362-H364 PolarHBondContact O-N 2.92Å; C362-H364 VanDerWaalsContact O-N 3.14Å; C362-H364 PolarHBondContact SG-NE2 2.89Å; C362-C385 VanDerWaalsContact SG-SG 3.67Å
363T95.8Very high97.8Very high85 Ų8525.8 Ų25.852%0.52115%0.151SC..  trans-75.47.5177.253.30000114.5K326 K390K326-T363 WeakPolarHBondContact CE-O 3.22Å; K326-T363 PolarHBondContact NZ-O 3.41Å; T363-K390 PolarHBondContact OG1-NZ 3.2Å
364H95.9Very high97.9Very high29 Ų2925.5 Ų25.513%0.13415%0.15CC..SBendtrans-111.4155.3178.658.180.3000111.4R358 C362 Q366 C385 V387 C388R358-H364 PolarHBondContact NH1-O 3.21Å; C362-H364 WeakPolarHBondContact CB-NE2 3.35Å; C362-H364 PolarHBondContact O-N 2.92Å; C362-H364 VanDerWaalsContact O-N 3.14Å; C362-H364 PolarHBondContact SG-NE2 2.89Å; H364-Q366 PolarHBondContact CE1-O 3.28Å; H364-Q366 VanDerWaalsContact CE1-O 3.24Å; H364-Q366 PolarHBondContact ND1-O 2.89Å; H364-C385 PolarHBondContact NE2-SG 2.76Å; H364-V387 HydrophobicContact CB-CG1 4.39Å; H364-C388 PolarHBondContact CD2-SG 2.65Å; H364-C388 PolarHBondContact NE2-SG 2.88Å
365L96.3Very high97.9Very high8 Ų824.7 Ų24.74%0.04214%0.138CC..  trans-83.6-35.7174.8-69.2167.1000112.6L322 I323 K326 L340 V342 C367 F403L322-L365 HydrophobicContact CB-CD2 4.3Å; L322-L365 HydrophobicContact CD2-CD2 3.88Å; L322-L365 HydrophobicContact CG-CD2 4.02Å; I323-L365 HydrophobicContact CD1-CD1 4.48Å; I323-L365 HydrophobicContact CD1-CD2 4.48Å; I323-L365 HydrophobicContact CG1-CD1 3.5Å; I323-L365 VanDerWaalsContact CG1-CD1 3.5Å; I323-L365 HydrophobicContact CG1-CD2 3.85Å; I323-L365 HydrophobicContact CG1-CG 4.34Å; K326-L365 HydrophobicContact CD-CD1 4.48Å; L340-L365 HydrophobicContact CB-CD1 4.49Å; L340-L365 HydrophobicContact CD1-CD1 3.77Å; V342-L365 HydrophobicContact CG1-CB 3.92Å; L365-C367 PolarHBondContact O-N 3.07Å; L365-C367 VanDerWaalsContact O-N 3.15Å; L365-F403 WeakPolarHBondContact O-CE2 3.42Å; L365-F403 VanDerWaalsContact O-CZ 3.3Å; L365-F403 WeakPolarHBondContact O-CZ 3.43Å
366Q98Very high97.8Very high33 Ų3328.4 Ų28.415%0.15416%0.157CC..  trans-52.5120.5-177.5-178.760.857.800111.5S343 H364 V387S343-Q366 PolarHBondContact O-NE2 3.08Å; S343-Q366 PolarHBondContact O-OE1 3.42Å; H364-Q366 PolarHBondContact CE1-O 3.28Å; H364-Q366 VanDerWaalsContact CE1-O 3.24Å; H364-Q366 PolarHBondContact ND1-O 2.89Å; Q366-V387 HydrophobicContact CB-CG1 4.1Å; Q366-V387 HydrophobicContact CG-CG1 4.32Å; Q366-V387 HydrophobicContact CG-CG2 4.05Å
367C98.5Very high97.7Very high0 Ų028.5 Ų28.50%016%0.157CC..  trans-89.6162.8176.2-71.80000111.8P347 L353 P356 C357 L365 F403P347-C367 VanDerWaalsContact CD-O 3.3Å; P347-C367 WeakPolarHBondContact CD-O 3.4Å; L353-C367 HydrophobicContact CD1-CB 4.04Å; P356-C367 HydrophobicContact CB-CB 3.93Å; C357-C367 WeakPolarHBondContact O-CA 3.33Å; L365-C367 PolarHBondContact O-N 3.07Å; L365-C367 VanDerWaalsContact O-N 3.15Å; C367-F403 HydrophobicContact CB-CD1 4.38Å; C367-F403 HydrophobicContact CB-CG 4.46Å
368F98.8Very high97.6Very high0 Ų030.4 Ų30.40%017%0.166CC..EExtended strand (participates in β ladder)trans-123.8160.4167.854.5-99.4000110P347 C357 R358 A370 Y373 P386 L397P347-F368 HydrophobicContact CG-CB 3.98Å; C357-F368 WeakPolarHBondContact CA-O 3.47Å; C357-F368 HydrophobicContact CB-CD2 4.46Å; C357-F368 HydrophobicContact CB-CE2 4.31Å; C357-F368 WeakPolarHBondContact CB-O 3.08Å; C357-F368 PolarHBondContact N-O 3.01Å; C357-F368 WeakPolarHBondContact O-CD1 3.04Å; C357-F368 WeakPolarHBondContact O-CG 3.43Å; C357-F368 PolarHBondContact O-N 3.04Å; C357-F368 VanDerWaalsContact O-O 3.1Å; R358-F368 HydrophobicContact CB-CE1 4.31Å; F368-A370 PolarHBondContact O-N 3.36Å; F368-Y373 AromaticContact CD2-CD2 3.96Å; F368-Y373 HydrophobicContact CD2-CD2 3.96Å; F368-Y373 AromaticContact CD2-CG 3.84Å; F368-Y373 HydrophobicContact CD2-CG 3.84Å; F368-Y373 AromaticContact CE2-CD1 3.71Å; F368-Y373 HydrophobicContact CE2-CD1 3.71Å; F368-Y373 AromaticContact CE2-CD2 3.74Å; F368-Y373 HydrophobicContact CE2-CD2 3.74Å; F368-Y373 HydrophobicContact CE2-CE1 4.18Å; F368-Y373 HydrophobicContact CE2-CE2 4.22Å; F368-Y373 AromaticContact CE2-CG 3.46Å; F368-Y373 HydrophobicContact CE2-CG 3.46Å; F368-Y373 VanDerWaalsContact CE2-CG 3.46Å; F368-Y373 HydrophobicContact CZ-CD1 4.4Å; F368-Y373 HydrophobicContact CZ-CD2 4.39Å; F368-Y373 HydrophobicContact CZ-CE1 4.44Å; F368-Y373 HydrophobicContact CZ-CE2 4.45Å; F368-Y373 HydrophobicContact CZ-CG 4.37Å; F368-P386 HydrophobicContact CB-CG 3.73Å; F368-P386 HydrophobicContact CD1-CG 3.63Å; F368-P386 HydrophobicContact CD2-CG 4.39Å; F368-P386 HydrophobicContact CE1-CG 4.31Å; F368-P386 HydrophobicContact CG-CG 3.66Å; F368-L397 HydrophobicContact CE2-CD2 4.45Å; F368-L397 HydrophobicContact CZ-CD2 4.09Å
369D98.7Very high97.3Very high12 Ų1237.8 Ų37.86%0.06420%0.198CC..EExtended strand (participates in β ladder)trans-77.3126.7-177.7-171.4-86.2000111.7C346 L353 T354 I355 A371 L372 Y373C346-D369 HydrophobicContact CB-CB 4.12Å; C346-D369 PolarHBondContact SG-N 3.24Å; L353-D369 HydrophobicContact CD2-CB 4.13Å; T354-D369 PolarHBondContact N-OD2 3.46Å; I355-D369 PolarHBondContact N-OD2 3.21Å; D369-A371 PolarHBondContact O-N 3.02Å; D369-A371 WeakPolarHBondContact OD1-CA 3.38Å; D369-A371 WeakPolarHBondContact OD1-CB 3.42Å; D369-A371 PolarHBondContact OD1-N 3.16Å; D369-L372 HydrophobicContact CB-CB 4.4Å; D369-L372 PolarHBondContact OD1-N 3.24Å; D369-Y373 VanDerWaalsContact O-CB 3.25Å; D369-Y373 WeakPolarHBondContact O-CB 3.44Å; D369-Y373 PolarHBondContact O-N 3.02Å
370A98.6Very high96.9Very high0 Ų044.2 Ų44.20%023%0.226CC..Hα-helixtrans-63-38.8-177.900000113.7L305 L308 I355 C357 F368 Y373 L374 L399L305-A370 HydrophobicContact CD1-CB 3.61Å; L308-A370 HydrophobicContact CD2-CB 4.06Å; I355-A370 HydrophobicContact CB-CB 3.99Å; I355-A370 HydrophobicContact CG2-CB 3.57Å; I355-A370 PolarHBondContact O-N 2.85Å; C357-A370 HydrophobicContact CB-CB 3.72Å; F368-A370 PolarHBondContact O-N 3.36Å; A370-Y373 PolarHBondContact O-N 3.16Å; A370-L374 WeakPolarHBondContact O-CB 3.21Å; A370-L374 VanDerWaalsContact O-CG 3.26Å; A370-L374 WeakPolarHBondContact O-CG 3.33Å; A370-L374 PolarHBondContact O-N 3.46Å; A370-L399 HydrophobicContact CB-CD2 4.22Å
371A98.4Very high96.7Very high24 Ų2443.7 Ų43.720%0.19822%0.224CC..Hα-helixtrans-68.6-48.5-175.700000110.3L305 D369 Y373 L374 Q375L305-A371 HydrophobicContact CD1-CB 4.31Å; L305-A371 HydrophobicContact CD2-CB 3.64Å; D369-A371 PolarHBondContact O-N 3.02Å; D369-A371 WeakPolarHBondContact OD1-CA 3.38Å; D369-A371 WeakPolarHBondContact OD1-CB 3.42Å; D369-A371 PolarHBondContact OD1-N 3.16Å; A371-Y373 VanDerWaalsContact C-N 3.33Å; A371-Y373 PolarHBondContact O-N 2.9Å; A371-L374 PolarHBondContact O-N 2.98Å; A371-Q375 WeakPolarHBondContact O-CG 3.43Å; A371-Q375 PolarHBondContact O-N 2.86Å
372L98.3Very high96.6Very high40 Ų4043.3 Ų43.321%0.20922%0.222CC..Hα-helixtrans-64.1-39176.4-177.759.3000111.8L348 G349 D369 L374 Q375 M376L348-L372 HydrophobicContact CB-CD2 3.74Å; L348-L372 HydrophobicContact CB-CG 4.4Å; G349-L372 VanDerWaalsContact N-CD2 3.35Å; D369-L372 HydrophobicContact CB-CB 4.4Å; D369-L372 PolarHBondContact OD1-N 3.24Å; L372-L374 VanDerWaalsContact C-N 3.35Å; L372-L374 PolarHBondContact O-N 3.27Å; L372-Q375 PolarHBondContact O-N 3.49Å; L372-M376 WeakPolarHBondContact O-CG 3.48Å; L372-M376 PolarHBondContact O-N 3.48Å
373Y98.6Very high96.6Very high5 Ų544.8 Ų44.82%0.0223%0.227CC..Hα-helixtrans-61.3-42.1177-170.3-109.6000112.8L348 F368 D369 A370 A371 M376 N377 W383 I384 A392 L397L348-Y373 HydrophobicContact CD1-CD2 4Å; F368-Y373 AromaticContact CD2-CD2 3.96Å; F368-Y373 HydrophobicContact CD2-CD2 3.96Å; F368-Y373 AromaticContact CD2-CG 3.84Å; F368-Y373 HydrophobicContact CD2-CG 3.84Å; F368-Y373 AromaticContact CE2-CD1 3.71Å; F368-Y373 HydrophobicContact CE2-CD1 3.71Å; F368-Y373 AromaticContact CE2-CD2 3.74Å; F368-Y373 HydrophobicContact CE2-CD2 3.74Å; F368-Y373 HydrophobicContact CE2-CE1 4.18Å; F368-Y373 HydrophobicContact CE2-CE2 4.22Å; F368-Y373 AromaticContact CE2-CG 3.46Å; F368-Y373 HydrophobicContact CE2-CG 3.46Å; F368-Y373 VanDerWaalsContact CE2-CG 3.46Å; F368-Y373 HydrophobicContact CZ-CD1 4.4Å; F368-Y373 HydrophobicContact CZ-CD2 4.39Å; F368-Y373 HydrophobicContact CZ-CE1 4.44Å; F368-Y373 HydrophobicContact CZ-CE2 4.45Å; F368-Y373 HydrophobicContact CZ-CG 4.37Å; D369-Y373 VanDerWaalsContact O-CB 3.25Å; D369-Y373 WeakPolarHBondContact O-CB 3.44Å; D369-Y373 PolarHBondContact O-N 3.02Å; A370-Y373 PolarHBondContact O-N 3.16Å; A371-Y373 VanDerWaalsContact C-N 3.33Å; A371-Y373 PolarHBondContact O-N 2.9Å; Y373-M376 PolarHBondContact O-N 3.39Å; Y373-N377 WeakPolarHBondContact CE1-ND2 3.49Å; Y373-N377 VanDerWaalsContact CZ-ND2 3.35Å; Y373-N377 PolarHBondContact O-N 3.15Å; Y373-N377 VanDerWaalsContact O-N 3.15Å; Y373-N377 PolarHBondContact O-ND2 3.48Å; Y373-W383 AromaticContact CE1-CE3 3.98Å; Y373-W383 HydrophobicContact CE1-CE3 3.98Å; Y373-W383 HydrophobicContact CE1-CZ3 4.11Å; Y373-W383 VanDerWaalsContact OH-C 3.32Å; Y373-W383 WeakPolarHBondContact OH-CA 3.28Å; Y373-I384 WeakPolarHBondContact CE2-O 3.47Å; Y373-I384 VanDerWaalsContact OH-C 3.3Å; Y373-I384 PolarHBondContact OH-N 3.42Å; Y373-I384 PolarHBondContact OH-O 2.86Å; Y373-A392 PolarHBondContact OH-O 3.25Å; Y373-L397 HydrophobicContact CD1-CD1 4.05Å; Y373-L397 HydrophobicContact CE1-CD1 4.14Å; Y373-L397 HydrophobicContact CE1-CD2 4.15Å
374L98.5Very high96.7Very high0 Ų043.6 Ų43.60%022%0.217CC..Hα-helixtrans-70.4-41177.1-68.2169.5000111.5F153 L304 L305 A370 A371 L372 M376 N377 E378 W383 Y394F153-L374 WeakPolarHBondContact CZ-O 3.36Å; L304-L374 HydrophobicContact CB-CD1 4.05Å; L304-L374 HydrophobicContact CB-CD2 4.11Å; L304-L374 HydrophobicContact CD1-CD2 4.37Å; L305-L374 HydrophobicContact CB-CD1 3.84Å; L305-L374 HydrophobicContact CD1-CD1 4.05Å; A370-L374 WeakPolarHBondContact O-CB 3.21Å; A370-L374 VanDerWaalsContact O-CG 3.26Å; A370-L374 WeakPolarHBondContact O-CG 3.33Å; A370-L374 PolarHBondContact O-N 3.46Å; A371-L374 PolarHBondContact O-N 2.98Å; L372-L374 VanDerWaalsContact C-N 3.35Å; L372-L374 PolarHBondContact O-N 3.27Å; L374-M376 VanDerWaalsContact C-N 3.28Å; L374-M376 PolarHBondContact O-N 3.49Å; L374-N377 PolarHBondContact O-N 3.37Å; L374-E378 WeakPolarHBondContact O-CB 3.41Å; L374-E378 PolarHBondContact O-N 2.87Å; L374-W383 HydrophobicContact CD2-CH2 4.07Å; L374-W383 HydrophobicContact CD2-CZ3 4.16Å; L374-Y394 HydrophobicContact CD2-CD2 3.87Å; L374-Y394 HydrophobicContact CD2-CE2 4.16Å
375Q97.1Very high96.8Very high90 Ų9042.2 Ų42.242%0.42121%0.21SC..Hα-helixtrans-60.5-34.7174.3-73.1174.58.900113.2S301 A371 L372 K379S301-Q375 WeakPolarHBondContact OG-CG 3.27Å; A371-Q375 WeakPolarHBondContact O-CG 3.43Å; A371-Q375 PolarHBondContact O-N 2.86Å; L372-Q375 PolarHBondContact O-N 3.49Å; Q375-K379 PolarHBondContact O-N 2.95Å
376M96.4Very high96.9Very high91 Ų9143.6 Ų43.645%0.44822%0.22SC..Hα-helixtrans-68.5-44.9173.8-74.7-178.563.700111.8L348 L372 Y373 L374 E378 K379 K380L348-M376 HydrophobicContact CB-SD 4.44Å; L348-M376 HydrophobicContact CD1-SD 3.67Å; L348-M376 HydrophobicContact CD2-CE 3.83Å; L348-M376 HydrophobicContact CD2-SD 3.65Å; L348-M376 HydrophobicContact CG-SD 4.12Å; L372-M376 WeakPolarHBondContact O-CG 3.48Å; L372-M376 PolarHBondContact O-N 3.48Å; Y373-M376 PolarHBondContact O-N 3.39Å; L374-M376 VanDerWaalsContact C-N 3.28Å; L374-M376 PolarHBondContact O-N 3.49Å; M376-E378 VanDerWaalsContact C-N 3.34Å; M376-K379 PolarHBondContact O-N 3.17Å; M376-K380 PolarHBondContact O-N 3.04Å
377N97.1Very high96.9Very high2 Ų244.4 Ų44.41%0.01123%0.227CC..Hα-helixtrans-72.4-26-180-76.5-77.4000113.2F153 Y373 L374 K379 K380 P381 T382 W383F153-N377 VanDerWaalsContact CE2-C 3.48Å; F153-N377 HydrophobicContact CE2-CB 3.95Å; F153-N377 HydrophobicContact CZ-CB 4.24Å; Y373-N377 WeakPolarHBondContact CE1-ND2 3.49Å; Y373-N377 VanDerWaalsContact CZ-ND2 3.35Å; Y373-N377 PolarHBondContact O-N 3.15Å; Y373-N377 VanDerWaalsContact O-N 3.15Å; Y373-N377 PolarHBondContact O-ND2 3.48Å; L374-N377 PolarHBondContact O-N 3.37Å; N377-K379 VanDerWaalsContact C-N 3.34Å; N377-K380 CarbonylContact O-C 3.55Å; N377-P381 WeakPolarHBondContact O-CA 3.31Å; N377-P381 WeakPolarHBondContact O-CB 3.48Å; N377-P381 VanDerWaalsContact O-CD 3.25Å; N377-P381 WeakPolarHBondContact O-CD 3.46Å; N377-T382 PolarHBondContact OD1-N 3.12Å; N377-W383 HydrophobicContact CB-CD2 4.35Å; N377-W383 HydrophobicContact CB-CE3 4.25Å; N377-W383 HydrophobicContact CB-CH2 3.87Å; N377-W383 HydrophobicContact CB-CZ2 3.99Å; N377-W383 HydrophobicContact CB-CZ3 4.01Å; N377-W383 PolarHBondContact OD1-N 3.23Å
378E94.9Very high96.9Very high39 Ų3946.3 Ų46.318%0.18224%0.24CC..Hα-helixtrans-62.1-41.2171.5-179.6174.4-133.700111.4F153 P199 T300 S301 L374 M376F153-E378 HydrophobicContact CD1-CB 4.41Å; F153-E378 HydrophobicContact CE1-CB 3.66Å; F153-E378 HydrophobicContact CE1-CG 4.12Å; F153-E378 HydrophobicContact CE2-CB 4.45Å; F153-E378 VanDerWaalsContact CZ-CA 3.47Å; F153-E378 HydrophobicContact CZ-CB 3.7Å; F153-E378 VanDerWaalsContact CZ-N 3.29Å; P199-E378 HydrophobicContact CB-CG 4.4Å; P199-E378 HydrophobicContact CG-CG 3.96Å; P199-E378 WeakPolarHBondContact CG-OE1 3.4Å; T300-E378 WeakPolarHBondContact CA-OE1 3.47Å; S301-E378 WeakPolarHBondContact CB-OE2 3.49Å; S301-E378 PolarHBondContact N-OE1 3.22Å; S301-E378 PolarHBondContact OG-OE2 2.88Å; L374-E378 WeakPolarHBondContact O-CB 3.41Å; L374-E378 PolarHBondContact O-N 2.87Å; M376-E378 VanDerWaalsContact C-N 3.34Å
379K91.9Very high96.8Very high166 Ų16652.6 Ų52.672%0.72227%0.273SS*.Hα-helixtrans-79.3-37.6176.6-66174.7-176.8174.30112.8Q375 M376 N377Q375-K379 PolarHBondContact O-N 2.95Å; M376-K379 PolarHBondContact O-N 3.17Å; N377-K379 VanDerWaalsContact C-N 3.34Å
380K91.9Very high96.8Very high135 Ų13556.9 Ų56.959%0.58729%0.292SS*.SBendtrans-151.192.4-178-173-172.9177.1-176.60109.7M376 N377 T382M376-K380 PolarHBondContact O-N 3.04Å; N377-K380 CarbonylContact O-C 3.55Å; K380-T382 HydrophobicContact CD-CG2 4.2Å; K380-T382 HydrophobicContact CG-CG2 4.06Å; K380-T382 PolarHBondContact O-N 2.75Å
381P93.2Very high96.7Very high72 Ų7263.6 Ų63.647%0.46832%0.321SS..  trans-71.397-176.126-32.9000110.4N377N377-P381 WeakPolarHBondContact O-CA 3.31Å; N377-P381 WeakPolarHBondContact O-CB 3.48Å; N377-P381 VanDerWaalsContact O-CD 3.25Å; N377-P381 WeakPolarHBondContact O-CD 3.46Å
382T94.3Very high96.7Very high72 Ų7262.5 Ų62.544%0.44231%0.311SS..  trans-101.8-30.2174.659.60000111.8N377 K380 I384N377-T382 PolarHBondContact OD1-N 3.12Å; K380-T382 HydrophobicContact CD-CG2 4.2Å; K380-T382 HydrophobicContact CG-CG2 4.06Å; K380-T382 PolarHBondContact O-N 2.75Å; T382-I384 PolarHBondContact O-N 2.96Å
383W97.3Very high96.6Very high38 Ų3862.8 Ų62.814%0.14432%0.319CS..  trans50.943.6-177.8-57.6110.7000113P152 F153 Y373 L374 N377 K391 A392 Y394P152-W383 HydrophobicContact CB-CH2 4.14Å; P152-W383 HydrophobicContact CB-CZ2 3.85Å; P152-W383 HydrophobicContact CG-CH2 4.31Å; P152-W383 HydrophobicContact CG-CZ2 3.77Å; F153-W383 AromaticContact CD2-CZ2 3.95Å; F153-W383 HydrophobicContact CD2-CZ2 3.95Å; F153-W383 AromaticContact CE2-CH2 3.73Å; F153-W383 HydrophobicContact CE2-CH2 3.73Å; F153-W383 AromaticContact CE2-CZ2 3.46Å; F153-W383 HydrophobicContact CE2-CZ2 3.46Å; F153-W383 VanDerWaalsContact CE2-CZ2 3.46Å; F153-W383 HydrophobicContact CZ-CH2 4.23Å; F153-W383 HydrophobicContact CZ-CZ2 4.39Å; Y373-W383 AromaticContact CE1-CE3 3.98Å; Y373-W383 HydrophobicContact CE1-CE3 3.98Å; Y373-W383 HydrophobicContact CE1-CZ3 4.11Å; Y373-W383 VanDerWaalsContact OH-C 3.32Å; Y373-W383 WeakPolarHBondContact OH-CA 3.28Å; L374-W383 HydrophobicContact CD2-CH2 4.07Å; L374-W383 HydrophobicContact CD2-CZ3 4.16Å; N377-W383 HydrophobicContact CB-CD2 4.35Å; N377-W383 HydrophobicContact CB-CE3 4.25Å; N377-W383 HydrophobicContact CB-CH2 3.87Å; N377-W383 HydrophobicContact CB-CZ2 3.99Å; N377-W383 HydrophobicContact CB-CZ3 4.01Å; N377-W383 PolarHBondContact OD1-N 3.23Å; W383-K391 CarbonylContact O-C 3.56Å; W383-K391 WeakPolarHBondContact O-CA 3.01Å; W383-A392 CarbonylContact O-C 3.58Å; W383-A392 PolarHBondContact O-N 3.06Å; W383-Y394 HydrophobicContact CH2-CD2 4.42Å; W383-Y394 HydrophobicContact CH2-CG 4.48Å
384I98Very high96.6Very high59 Ų5963 Ų6330%0.30332%0.321SS..BIsolated β-bridgetrans-106.5139.1176.1-61.3-54.6000109.6Y373 T382 D389 K391Y373-I384 WeakPolarHBondContact CE2-O 3.47Å; Y373-I384 VanDerWaalsContact OH-C 3.3Å; Y373-I384 PolarHBondContact OH-N 3.42Å; Y373-I384 PolarHBondContact OH-O 2.86Å; T382-I384 PolarHBondContact O-N 2.96Å; I384-D389 HydrophobicContact CG2-CB 4.23Å; I384-K391 HydrophobicContact CD1-CG 4.42Å
385C98.4Very high96.5Very high0 Ų068.2 Ų68.20%035%0.345CS..  trans-74.5125.4176.7179.20000111.2C362 H364 V387 C388 D389 K390 A392C362-C385 VanDerWaalsContact SG-SG 3.67Å; H364-C385 PolarHBondContact NE2-SG 2.76Å; C385-V387 PolarHBondContact O-N 3.09Å; C385-C388 PolarHBondContact O-N 3.02Å; C385-D389 WeakPolarHBondContact O-CA 3.39Å; C385-D389 PolarHBondContact O-N 2.75Å; C385-K390 WeakPolarHBondContact CB-O 3.48Å; C385-K390 PolarHBondContact N-O 3.34Å; C385-A392 HydrophobicContact CB-CB 3.98Å
386P97.9Very high96.5Very high38 Ų3865.1 Ų65.125%0.24733%0.333CS..THydrogen-bonded Turntrans-745.4-177.334.6-40.5000115.1L348 F368L348-P386 HydrophobicContact CD1-CB 3.93Å; L348-P386 HydrophobicContact CD1-CG 3.76Å; L348-P386 HydrophobicContact CD2-CB 3.52Å; L348-P386 HydrophobicContact CD2-CG 4.3Å; L348-P386 HydrophobicContact CG-CB 3.51Å; L348-P386 HydrophobicContact CG-CG 3.77Å; F368-P386 HydrophobicContact CB-CG 3.73Å; F368-P386 HydrophobicContact CD1-CG 3.63Å; F368-P386 HydrophobicContact CD2-CG 4.39Å; F368-P386 HydrophobicContact CE1-CG 4.31Å; F368-P386 HydrophobicContact CG-CG 3.66Å
387V98.1Very high96.6Very high50 Ų5061.1 Ų61.130%0.30331%0.313SS..THydrogen-bonded Turntrans-112-26180177.70000112.1P347 H364 Q366 C385P347-V387 HydrophobicContact CB-CG2 4.43Å; P347-V387 HydrophobicContact CG-CG2 3.74Å; H364-V387 HydrophobicContact CB-CG1 4.39Å; Q366-V387 HydrophobicContact CB-CG1 4.1Å; Q366-V387 HydrophobicContact CG-CG1 4.32Å; Q366-V387 HydrophobicContact CG-CG2 4.05Å; C385-V387 PolarHBondContact O-N 3.09Å
388C97.7Very high96.7Very high40 Ų4062.3 Ų62.327%0.2732%0.319SS..THydrogen-bonded Turntrans-146.99.2-173.4660000115.3H364 C385 K390H364-C388 PolarHBondContact CD2-SG 2.65Å; H364-C388 PolarHBondContact NE2-SG 2.88Å; C385-C388 PolarHBondContact O-N 3.02Å; C388-K390 PolarHBondContact O-N 2.84Å
389D97.3Very high96.9Very high131 Ų13160.6 Ų60.670%0.70131%0.312SS*.  trans55.49.5177.4-60.7-50.6000117I384 C385I384-D389 HydrophobicContact CG2-CB 4.23Å; C385-D389 WeakPolarHBondContact O-CA 3.39Å; C385-D389 PolarHBondContact O-N 2.75Å
390K97.8Very high97.2Very high103 Ų10352.7 Ų52.745%0.44828%0.277SS..SBendtrans-76.4157.3172.5-64.1178.1-176.5178.60111.4T363 C385 C388 A392T363-K390 PolarHBondContact OG1-NZ 3.2Å; C385-K390 WeakPolarHBondContact CB-O 3.48Å; C385-K390 PolarHBondContact N-O 3.34Å; C388-K390 PolarHBondContact O-N 2.84Å; K390-A392 PolarHBondContact O-N 3.24Å
391K97.2Very high97.5Very high141 Ų14146.5 Ų46.561%0.61325%0.251SS*.BIsolated β-bridgetrans-60.1126.8173.3-74.9-165.7174.7-168.80111.1E223 T361 W383 I384E223-K391 IonicContact OE1-NZ 2.73Å; E223-K391 PolarHBondContact OE1-NZ 3.06Å; T361-K391 PolarHBondContact OG1-O 3.39Å; W383-K391 CarbonylContact O-C 3.56Å; W383-K391 WeakPolarHBondContact O-CA 3.01Å; I384-K391 HydrophobicContact CD1-CG 4.42Å
392A97.9Very high97.6Very high0 Ų043.3 Ų43.30%023%0.231CC..  trans-129.873.7175.500000108.9A359 Y373 W383 C385 K390 L397A359-A392 HydrophobicContact CB-CB 3.8Å; Y373-A392 PolarHBondContact OH-O 3.25Å; W383-A392 CarbonylContact O-C 3.58Å; W383-A392 PolarHBondContact O-N 3.06Å; C385-A392 HydrophobicContact CB-CB 3.98Å; K390-A392 PolarHBondContact O-N 3.24Å; A392-L397 HydrophobicContact CB-CD2 4.34Å
393A97.4Very high97.8Very high46 Ų4639.9 Ų39.938%0.3821%0.21SC..  trans-67.9151.5177.500000111E395 S396 L397A393-E395 PolarHBondContact O-N 2.91Å; A393-S396 PolarHBondContact N-OG 3.09Å; A393-S396 PolarHBondContact O-N 3.44Å; A393-S396 PolarHBondContact O-OG 2.94Å; A393-S396 VanDerWaalsContact O-OG 3.07Å; A393-L397 PolarHBondContact O-N 2.83Å
394Y98.3Very high97.8Very high11 Ų1140 Ų404%0.04321%0.212CC..G310 helixtrans-48.8-37.9178.8179.6-105.3000114P152 L304 R307 L308 L374 W383 S396 L397P152-Y394 HydrophobicContact CB-CD1 3.9Å; P152-Y394 HydrophobicContact CB-CG 3.78Å; P152-Y394 VanDerWaalsContact CG-CB 3.46Å; P152-Y394 HydrophobicContact CG-CD1 4.29Å; P152-Y394 HydrophobicContact CG-CG 4.12Å; L304-Y394 HydrophobicContact CB-CE2 3.94Å; L304-Y394 HydrophobicContact CD1-CD2 4.42Å; L304-Y394 HydrophobicContact CD1-CE2 4.43Å; L304-Y394 PolarHBondContact O-OH 2.92Å; L304-Y394 VanDerWaalsContact O-OH 3.11Å; R307-Y394 WeakPolarHBondContact CB-OH 3.27Å; L308-Y394 HydrophobicContact CB-CE2 4.24Å; L308-Y394 PolarHBondContact N-OH 3.48Å; L374-Y394 HydrophobicContact CD2-CD2 3.87Å; L374-Y394 HydrophobicContact CD2-CE2 4.16Å; W383-Y394 HydrophobicContact CH2-CD2 4.42Å; W383-Y394 HydrophobicContact CH2-CG 4.48Å; Y394-S396 VanDerWaalsContact C-N 3.31Å; Y394-S396 PolarHBondContact O-N 3.14Å; Y394-L397 HydrophobicContact CD2-CD1 4.19Å; Y394-L397 PolarHBondContact O-N 3.31Å
395E96.5Very high97.7Very high108 Ų10840.5 Ų40.551%0.50521%0.213SC..G310 helixtrans-72.6-21.3-179.6-50.3-53164.900114.3K311 A393K311-E395 IonicContact NZ-OE2 3.01Å; K311-E395 PolarHBondContact NZ-OE2 2.72Å; A393-E395 PolarHBondContact O-N 2.91Å
396S97.6Very high97.5Very high26 Ų2640.5 Ų40.518%0.18221%0.213CC..G310 helixtrans-93.9-0.917567.40000113.8A359 V360 A393 Y394A359-S396 CarbonylContact C-O 3.57Å; A359-S396 WeakPolarHBondContact CA-O 3.46Å; V360-S396 PolarHBondContact N-O 2.82Å; A393-S396 PolarHBondContact N-OG 3.09Å; A393-S396 PolarHBondContact O-N 3.44Å; A393-S396 PolarHBondContact O-OG 2.94Å; A393-S396 VanDerWaalsContact O-OG 3.07Å; Y394-S396 VanDerWaalsContact C-N 3.31Å; Y394-S396 PolarHBondContact O-N 3.14Å
397L98.5Very high97.4Very high6 Ų639.8 Ų39.83%0.03121%0.207CC..EExtended strand (participates in β ladder)trans-71.3139.6176.9-60.8-177.2000112.2L308 R358 A359 F368 Y373 A392 A393 Y394L308-L397 HydrophobicContact CD1-CB 3.9Å; L308-L397 HydrophobicContact CD2-CB 4.26Å; L308-L397 HydrophobicContact CD2-CD1 4.22Å; R358-L397 WeakPolarHBondContact O-CA 3.38Å; A359-L397 HydrophobicContact CB-CD2 4.48Å; F368-L397 HydrophobicContact CE2-CD2 4.45Å; F368-L397 HydrophobicContact CZ-CD2 4.09Å; Y373-L397 HydrophobicContact CD1-CD1 4.05Å; Y373-L397 HydrophobicContact CE1-CD1 4.14Å; Y373-L397 HydrophobicContact CE1-CD2 4.15Å; A392-L397 HydrophobicContact CB-CD2 4.34Å; A393-L397 PolarHBondContact O-N 2.83Å; Y394-L397 HydrophobicContact CD2-CD1 4.19Å; Y394-L397 PolarHBondContact O-N 3.31Å
398I98.4Very high97.3Very high27 Ų2743.4 Ų43.414%0.13823%0.225CC..EExtended strand (participates in β ladder)trans-130.8146.1174.343.8162.6000110R314 C357 R358 V360R314-I398 HydrophobicContact CB-CB 4.47Å; R314-I398 VanDerWaalsContact CD-CD1 3.44Å; C357-I398 VanDerWaalsContact CA-O 3.29Å; C357-I398 WeakPolarHBondContact CA-O 3.28Å; R358-I398 HydrophobicContact CG-CD1 4.19Å; R358-I398 HydrophobicContact CG-CG1 4.32Å; R358-I398 PolarHBondContact N-O 2.63Å; R358-I398 WeakPolarHBondContact O-CG1 3.33Å; R358-I398 PolarHBondContact O-N 2.78Å; V360-I398 HydrophobicContact CG1-CB 4.37Å; V360-I398 HydrophobicContact CG1-CD1 3.99Å; V360-I398 HydrophobicContact CG1-CG1 4.03Å; V360-I398 HydrophobicContact CG1-CG2 3.48Å; V360-I398 VanDerWaalsContact CG1-CG2 3.48Å
399L98.7Very high97Very high4 Ų447 Ų472%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-88126.8165.7-55.2-172.2000108.7L308 K309 I313 R314 I355 P356 C357 A370L308-L399 HydrophobicContact CD2-CD2 3.86Å; L308-L399 HydrophobicContact CG-CD2 3.9Å; L308-L399 HydrophobicContact CG-CG 4.2Å; K309-L399 HydrophobicContact CG-CD1 4.05Å; I313-L399 HydrophobicContact CG1-CB 4.38Å; R314-L399 VanDerWaalsContact CB-O 3.29Å; R314-L399 WeakPolarHBondContact CB-O 3.32Å; R314-L399 PolarHBondContact N-O 3.28Å; I355-L399 HydrophobicContact CG2-CD1 4.18Å; I355-L399 HydrophobicContact CG2-CD2 3.58Å; I355-L399 HydrophobicContact CG2-CG 4.49Å; P356-L399 WeakPolarHBondContact O-CA 3.3Å; C357-L399 HydrophobicContact CB-CD2 4.08Å; A370-L399 HydrophobicContact CB-CD2 4.22Å
400D98.4Very high96.5Very high0 Ų041.3 Ų41.30%021%0.211CC..EExtended strand (participates in β ladder)trans-90.8108.5-171.2-157.1-59.9000111.5S319 P356 R358 L402 F403 M404S319-D400 WeakPolarHBondContact CB-OD1 3.34Å; S319-D400 PolarHBondContact OG-OD1 3.31Å; S319-D400 PolarHBondContact OG-OD2 3.26Å; P356-D400 PolarHBondContact O-N 2.85Å; R358-D400 IonicContact CZ-OD2 3.59Å; R358-D400 IonicContact NE-OD2 2.72Å; R358-D400 PolarHBondContact NE-OD2 3.31Å; R358-D400 IonicContact NH2-OD2 2.97Å; R358-D400 PolarHBondContact NH2-OD2 2.75Å; D400-L402 VanDerWaalsContact C-N 3.32Å; D400-L402 PolarHBondContact O-N 3.41Å; D400-L402 PolarHBondContact OD1-N 2.9Å; D400-F403 HydrophobicContact CB-CB 4.38Å; D400-F403 HydrophobicContact CB-CD2 4.28Å; D400-F403 PolarHBondContact O-N 3.48Å; D400-M404 PolarHBondContact O-N 3.07Å
401G97.7Very high95.9Very high4 Ų441.3 Ų41.34%0.04122%0.224CC..Hα-helixtrans-61.8-36.1-174.500000114R314 M404 E405R314-G401 WeakPolarHBondContact O-CA 3.19Å; R314-G401 PolarHBondContact O-N 3.21Å; R314-G401 VanDerWaalsContact O-N 3.12Å; G401-M404 WeakPolarHBondContact O-CB 3.37Å; G401-M404 PolarHBondContact O-N 3.3Å; G401-M404 VanDerWaalsContact O-N 3.1Å; G401-E405 WeakPolarHBondContact O-CG 3.17Å; G401-E405 PolarHBondContact O-N 3.34Å
402L96.8Very high95.4Very high6 Ų639.1 Ų39.13%0.03122%0.219CC..Hα-helixtrans-67.2-40.9-179.4-178.363.2000111.3P316 R320 I323 D400 M404 E405 I406 F418P316-L402 HydrophobicContact CB-CB 4.02Å; P316-L402 HydrophobicContact CB-CD1 4.45Å; R320-L402 HydrophobicContact CG-CD1 4.07Å; R320-L402 HydrophobicContact CG-CD2 3.96Å; I323-L402 HydrophobicContact CD1-CD2 3.45Å; I323-L402 VanDerWaalsContact CD1-CD2 3.45Å; D400-L402 VanDerWaalsContact C-N 3.32Å; D400-L402 PolarHBondContact O-N 3.41Å; D400-L402 PolarHBondContact OD1-N 2.9Å; L402-M404 VanDerWaalsContact C-N 3.29Å; L402-M404 PolarHBondContact O-N 3.11Å; L402-E405 WeakPolarHBondContact CD1-OE2 3.33Å; L402-E405 PolarHBondContact O-N 3.17Å; L402-I406 HydrophobicContact CD1-CD1 4.12Å; L402-I406 HydrophobicContact CG-CD1 3.97Å; L402-I406 WeakPolarHBondContact O-CD1 3Å; L402-I406 WeakPolarHBondContact O-CG1 3.35Å; L402-I406 PolarHBondContact O-N 3.17Å; L402-I406 VanDerWaalsContact O-N 3.16Å; L402-F418 HydrophobicContact CD2-CE1 4.02Å; L402-F418 HydrophobicContact CD2-CZ 4.06Å
403F97.3Very high95.1Very high0 Ų039.3 Ų39.30%022%0.221CC..Hα-helixtrans-67.8-31.3172.3-81.1-100.4000111.7V342 L344 L353 P356 L365 C367 D400 L407V342-F403 HydrophobicContact CB-CE1 4.47Å; V342-F403 HydrophobicContact CB-CZ 4.18Å; V342-F403 HydrophobicContact CG1-CZ 4.44Å; V342-F403 HydrophobicContact CG2-CE1 3.93Å; V342-F403 HydrophobicContact CG2-CZ 3.75Å; L344-F403 HydrophobicContact CD2-CD1 3.99Å; L344-F403 HydrophobicContact CD2-CE1 4.24Å; L353-F403 HydrophobicContact CD1-CD1 4.28Å; P356-F403 HydrophobicContact CB-CB 3.48Å; P356-F403 VanDerWaalsContact CB-CB 3.48Å; P356-F403 HydrophobicContact CB-CG 4.29Å; P356-F403 HydrophobicContact CG-CB 3.7Å; L365-F403 WeakPolarHBondContact O-CE2 3.42Å; L365-F403 VanDerWaalsContact O-CZ 3.3Å; L365-F403 WeakPolarHBondContact O-CZ 3.43Å; C367-F403 HydrophobicContact CB-CD1 4.38Å; C367-F403 HydrophobicContact CB-CG 4.46Å; D400-F403 HydrophobicContact CB-CB 4.38Å; D400-F403 HydrophobicContact CB-CD2 4.28Å; D400-F403 PolarHBondContact O-N 3.48Å; F403-L407 VanDerWaalsContact O-CB 3.27Å; F403-L407 WeakPolarHBondContact O-CB 3.5Å; F403-L407 WeakPolarHBondContact O-CD1 2.97Å; F403-L407 WeakPolarHBondContact O-CG 3.45Å; F403-L407 PolarHBondContact O-N 3.11Å
404M97Very high94.9Very high40 Ų4041.1 Ų41.120%0.19722%0.224CC..Hα-helixtrans-66.1-43176.3-164.97272.400111.9I313 P356 D400 G401 L402 N408I313-M404 HydrophobicContact CD1-CE 4.24Å; I313-M404 HydrophobicContact CD1-CG 4.47Å; P356-M404 HydrophobicContact CG-CB 4.4Å; P356-M404 HydrophobicContact CG-CE 4.16Å; P356-M404 HydrophobicContact CG-SD 4.47Å; D400-M404 PolarHBondContact O-N 3.07Å; G401-M404 WeakPolarHBondContact O-CB 3.37Å; G401-M404 PolarHBondContact O-N 3.3Å; G401-M404 VanDerWaalsContact O-N 3.1Å; L402-M404 VanDerWaalsContact C-N 3.29Å; L402-M404 PolarHBondContact O-N 3.11Å; M404-N408 VanDerWaalsContact O-CG 3.3Å; M404-N408 PolarHBondContact O-N 3Å; M404-N408 PolarHBondContact O-ND2 3.42Å
405E96Very high94.7Very high69 Ų6943.8 Ų43.832%0.32224%0.237SC..Hα-helixtrans-56.7-56.1171.8-67.7168151.700110.4P316 R320 G401 L402 L407 N408 D409P316-E405 WeakPolarHBondContact CB-OE2 3.49Å; P316-E405 HydrophobicContact CG-CG 4.36Å; P316-E405 VanDerWaalsContact CG-OE1 3.29Å; P316-E405 WeakPolarHBondContact CG-OE1 3.49Å; R320-E405 IonicContact CZ-OE2 3.41Å; R320-E405 IonicContact NH2-OE1 3.79Å; R320-E405 PolarHBondContact NH2-OE1 3.28Å; R320-E405 IonicContact NH2-OE2 3.24Å; R320-E405 PolarHBondContact NH2-OE2 3.19Å; G401-E405 WeakPolarHBondContact O-CG 3.17Å; G401-E405 PolarHBondContact O-N 3.34Å; L402-E405 WeakPolarHBondContact CD1-OE2 3.33Å; L402-E405 PolarHBondContact O-N 3.17Å; E405-L407 VanDerWaalsContact C-N 3.3Å; E405-L407 PolarHBondContact O-N 2.82Å; E405-N408 WeakPolarHBondContact O-CB 3.46Å; E405-N408 PolarHBondContact O-N 3.38Å; E405-D409 PolarHBondContact O-N 3.17Å
406I95.9Very high94.7Very high1 Ų138.7 Ų38.71%0.00521%0.213CC..Hα-helixtrans-63.6-33.6-174.2-61.6167000112.7L344 L402 N408 D409 C410 I416 F418 W424L344-I406 HydrophobicContact CD1-CG2 4.02Å; L344-I406 HydrophobicContact CD2-CG2 4.14Å; L402-I406 HydrophobicContact CD1-CD1 4.12Å; L402-I406 HydrophobicContact CG-CD1 3.97Å; L402-I406 WeakPolarHBondContact O-CD1 3Å; L402-I406 WeakPolarHBondContact O-CG1 3.35Å; L402-I406 PolarHBondContact O-N 3.17Å; L402-I406 VanDerWaalsContact O-N 3.16Å; I406-N408 VanDerWaalsContact C-N 3.29Å; I406-N408 PolarHBondContact O-N 3.46Å; I406-D409 PolarHBondContact O-N 3.44Å; I406-C410 PolarHBondContact O-N 3.36Å; I406-C410 VanDerWaalsContact O-N 3.12Å; I406-I416 HydrophobicContact CD1-CD1 3.78Å; I406-I416 HydrophobicContact CG2-CD1 4.1Å; I406-I416 HydrophobicContact CG2-CG2 4.26Å; I406-F418 HydrophobicContact CD1-CE1 3.9Å; I406-F418 HydrophobicContact CD1-CZ 3.83Å; I406-W424 HydrophobicContact CB-CZ2 4.33Å; I406-W424 HydrophobicContact CD1-CD2 4.26Å; I406-W424 HydrophobicContact CD1-CG 4.14Å; I406-W424 HydrophobicContact CG1-CD2 4.12Å; I406-W424 HydrophobicContact CG1-CG 4.42Å; I406-W424 HydrophobicContact CG1-CZ2 3.98Å; I406-W424 HydrophobicContact CG2-CD2 4.22Å; I406-W424 HydrophobicContact CG2-CE3 4.02Å; I406-W424 HydrophobicContact CG2-CH2 3.81Å; I406-W424 HydrophobicContact CG2-CZ2 4Å; I406-W424 HydrophobicContact CG2-CZ3 3.81Å
407L95.5Very high94.5Very high22 Ų2241 Ų4112%0.11522%0.22CC..Hα-helixtrans-71.7-21.1175.8-74166000113.4L344 R352 L353 P356 F403 E405L344-L407 HydrophobicContact CB-CD2 3.96Å; L344-L407 HydrophobicContact CD1-CD2 4.4Å; L344-L407 HydrophobicContact CD2-CD2 4.23Å; L344-L407 HydrophobicContact CD2-CG 4.48Å; L344-L407 HydrophobicContact CG-CD2 4.42Å; R352-L407 HydrophobicContact CG-CD2 4.09Å; L353-L407 HydrophobicContact CB-CD1 3.68Å; L353-L407 HydrophobicContact CB-CD2 4.19Å; P356-L407 HydrophobicContact CB-CD1 4.1Å; P356-L407 HydrophobicContact CG-CD1 3.8Å; F403-L407 VanDerWaalsContact O-CB 3.27Å; F403-L407 WeakPolarHBondContact O-CB 3.5Å; F403-L407 WeakPolarHBondContact O-CD1 2.97Å; F403-L407 WeakPolarHBondContact O-CG 3.45Å; F403-L407 PolarHBondContact O-N 3.11Å; E405-L407 VanDerWaalsContact C-N 3.3Å; E405-L407 PolarHBondContact O-N 2.82Å
408N94.5Very high94.3Very high127 Ų12740.7 Ų40.768%0.67922%0.218SC*.Hα-helixtrans-85.2-39.3171.1-64.9-34.2000111.2M404 E405 I406 C410M404-N408 VanDerWaalsContact O-CG 3.3Å; M404-N408 PolarHBondContact O-N 3Å; M404-N408 PolarHBondContact O-ND2 3.42Å; E405-N408 WeakPolarHBondContact O-CB 3.46Å; E405-N408 PolarHBondContact O-N 3.38Å; I406-N408 VanDerWaalsContact C-N 3.29Å; I406-N408 PolarHBondContact O-N 3.46Å; N408-C410 VanDerWaalsContact C-N 3.33Å; N408-C410 PolarHBondContact O-N 2.84Å
409D92.9Very high93.9Very high116 Ų11643.5 Ų43.562%0.6223%0.231SC*.Hα-helixtrans-70.8-24.5-178.1-67.3-18.3000113.6E405 I406 W424E405-D409 PolarHBondContact O-N 3.17Å; I406-D409 PolarHBondContact O-N 3.44Å; D409-W424 HydrophobicContact CB-CH2 4.08Å; D409-W424 HydrophobicContact CB-CZ2 3.98Å
410C86.8Confident93.1Very high10 Ų1049 Ų497%0.06826%0.256CS..  trans-139134.4-176.7177.40000112.2R352 I406 N408 W424R352-C410 PolarHBondContact NH2-O 2.91Å; I406-C410 PolarHBondContact O-N 3.36Å; I406-C410 VanDerWaalsContact O-N 3.12Å; N408-C410 VanDerWaalsContact C-N 3.33Å; N408-C410 PolarHBondContact O-N 2.84Å; C410-W424 HydrophobicContact CB-CH2 4.2Å; C410-W424 HydrophobicContact CB-CZ3 4.42Å
411S85.4Confident92.1Very high103 Ų10353.9 Ų53.972%0.7228%0.283SS*.SBendtrans-119-20.2179.159.40000114.6
412D85.6Confident91.1Very high95 Ų9554.6 Ų54.651%0.50829%0.289SS..SBendtrans-100.23.7-168.869.2-59.4000115.2R428D412-R428 IonicContact OD1-NH2 2.82Å; D412-R428 IonicContact OD2-CZ 2.67Å; D412-R428 VanDerWaalsContact OD2-CZ 3.27Å; D412-R428 IonicContact OD2-NE 3.74Å; D412-R428 PolarHBondContact OD2-NE 2.95Å; D412-R428 IonicContact OD2-NH2 2.95Å; D412-R428 PolarHBondContact OD2-NH2 2.86Å
413V91.6Very high90.7Very high4 Ų456.1 Ų56.12%0.02430%0.301CS..  trans-134.2136.4-172.2-167.90000112.7R352 E415 P426 R428R352-V413 PolarHBondContact NH1-O 3.3Å; R352-V413 PolarHBondContact NH2-O 3.5Å; V413-E415 WeakPolarHBondContact CG1-O 3.29Å; V413-P426 HydrophobicContact CB-CB 4.05Å; V413-P426 HydrophobicContact CG1-CB 3.91Å; V413-P426 HydrophobicContact CG2-CB 3.75Å; V413-R428 HydrophobicContact CG2-CG 3.8Å
414D93.5Very high90.4Very high84 Ų8459.4 Ų59.445%0.44931%0.313SS..SBendtrans-97.5-14.5-174.3-68.8-16.5000114.5S343 L344 M345 R352S343-D414 CarbonylContact C-O 3.52Å; S343-D414 VanDerWaalsContact CA-O 3.24Å; S343-D414 WeakPolarHBondContact CA-O 3.38Å; S343-D414 WeakPolarHBondContact CB-O 3.48Å; S343-D414 PolarHBondContact OG-O 2.93Å; L344-D414 PolarHBondContact N-O 2.99Å; M345-D414 HydrophobicContact CG-CB 3.74Å; M345-D414 HydrophobicContact SD-CB 4.37Å; M345-D414 VanDerWaalsContact SD-OD1 3.33Å; R352-D414 IonicContact NH1-OD1 3.65Å
415E94.9Very high90.2Very high68 Ų6859.8 Ų59.832%0.31832%0.319SS..EExtended strand (participates in β ladder)trans-133148.4175.2-77.9-166.6-169.100112.3R341 V342 V413 M427R341-E415 IonicContact CZ-OE2 3.71Å; R341-E415 IonicContact NE-OE2 3.96Å; R341-E415 PolarHBondContact NE-OE2 3.12Å; R341-E415 IonicContact NH2-OE1 3.57Å; R341-E415 IonicContact NH2-OE2 2.63Å; R341-E415 PolarHBondContact NH2-OE2 2.69Å; V342-E415 WeakPolarHBondContact O-CA 3.24Å; V413-E415 WeakPolarHBondContact CG1-O 3.29Å; E415-M427 HydrophobicContact CB-CB 3.92Å; E415-M427 PolarHBondContact O-N 2.77Å
416I95Very high90Very high0 Ų059.2 Ų59.20%032%0.321CS..EExtended strand (participates in β ladder)trans-129.5155.4172.660.4170.3000110.4R341 V342 L344 I406 F418 W424 C425R341-I416 WeakPolarHBondContact CA-O 3.49Å; V342-I416 HydrophobicContact CG2-CD1 3.68Å; V342-I416 HydrophobicContact CG2-CG1 3.41Å; V342-I416 VanDerWaalsContact CG2-CG1 3.41Å; V342-I416 PolarHBondContact N-O 3.4Å; V342-I416 PolarHBondContact O-N 2.9Å; L344-I416 HydrophobicContact CD1-CG2 3.9Å; L344-I416 HydrophobicContact CD2-CD1 4.19Å; L344-I416 HydrophobicContact CD2-CG1 4.48Å; L344-I416 HydrophobicContact CG-CG2 4.23Å; I406-I416 HydrophobicContact CD1-CD1 3.78Å; I406-I416 HydrophobicContact CG2-CD1 4.1Å; I406-I416 HydrophobicContact CG2-CG2 4.26Å; I416-F418 HydrophobicContact CD1-CE1 4.19Å; I416-F418 HydrophobicContact CD1-CE2 3.77Å; I416-F418 HydrophobicContact CD1-CZ 3.54Å; I416-F418 HydrophobicContact CG1-CE2 4.43Å; I416-W424 HydrophobicContact CB-CE3 4.38Å; I416-W424 HydrophobicContact CG2-CE3 3.86Å; I416-W424 HydrophobicContact CG2-CZ3 4.15Å; I416-C425 WeakPolarHBondContact CA-O 3.34Å
417K94.8Very high89.7Confident75 Ų7562 Ų6233%0.32634%0.335SS..EExtended strand (participates in β ladder)trans-119119.8174.8-177.1-177.9-176.2-179.90109.4S339 W424 C425 M427S339-K417 WeakPolarHBondContact OG-CE 3.31Å; K417-W424 CarbonylContact O-C 3.6Å; K417-W424 VanDerWaalsContact O-CA 3.28Å; K417-W424 WeakPolarHBondContact O-CA 3.37Å; K417-C425 PolarHBondContact N-O 3.05Å; K417-C425 PolarHBondContact O-N 3.23Å; K417-M427 HydrophobicContact CB-CG 3.9Å; K417-M427 HydrophobicContact CB-SD 3.94Å
418F94.3Very high89Confident0 Ų068.7 Ų68.70%036%0.359CS..EExtended strand (participates in β ladder)trans-83.8145.7170.2-67.2-71.7000111.4I323 S339 L340 V342 L402 I406 I416 S423 W424I323-F418 HydrophobicContact CD1-CD1 3.58Å; I323-F418 HydrophobicContact CD1-CD2 3.86Å; I323-F418 HydrophobicContact CD1-CE1 3.53Å; I323-F418 HydrophobicContact CD1-CE2 3.79Å; I323-F418 HydrophobicContact CD1-CG 3.76Å; I323-F418 HydrophobicContact CD1-CZ 3.63Å; I323-F418 HydrophobicContact CG1-CD1 4.46Å; I323-F418 HydrophobicContact CG1-CD2 4.16Å; I323-F418 HydrophobicContact CG1-CE2 4.4Å; I323-F418 HydrophobicContact CG1-CG 4.18Å; I323-F418 HydrophobicContact CG2-CB 3.92Å; I323-F418 HydrophobicContact CG2-CG 4.26Å; S339-F418 WeakPolarHBondContact CA-O 3.44Å; S339-F418 WeakPolarHBondContact CB-O 3.49Å; L340-F418 HydrophobicContact CB-CB 4.37Å; L340-F418 PolarHBondContact N-O 3.46Å; L340-F418 PolarHBondContact O-N 3Å; V342-F418 HydrophobicContact CG2-CD2 4.29Å; V342-F418 HydrophobicContact CG2-CE2 3.66Å; L402-F418 HydrophobicContact CD2-CE1 4.02Å; L402-F418 HydrophobicContact CD2-CZ 4.06Å; I406-F418 HydrophobicContact CD1-CE1 3.9Å; I406-F418 HydrophobicContact CD1-CZ 3.83Å; I416-F418 HydrophobicContact CD1-CE1 4.19Å; I416-F418 HydrophobicContact CD1-CE2 3.77Å; I416-F418 HydrophobicContact CD1-CZ 3.54Å; I416-F418 HydrophobicContact CG1-CE2 4.43Å; F418-S423 WeakPolarHBondContact CA-O 3.41Å; F418-W424 HydrophobicContact CD1-CB 3.67Å; F418-W424 HydrophobicContact CE1-CB 3.78Å; F418-W424 HydrophobicContact CE1-CG 4.36Å
419Q89Confident87.6Confident85 Ų8568.5 Ų68.540%0.39737%0.365SS..  trans-115.5164.2178.8-53.2-172.8114.100110.8L327 D421 G422 S423L327-Q419 VanDerWaalsContact CD1-C 3.45Å; L327-Q419 VanDerWaalsContact CD1-O 3.28Å; L327-Q419 WeakPolarHBondContact CD1-O 3.49Å; Q419-D421 VanDerWaalsContact C-N 3.28Å; Q419-D421 WeakPolarHBondContact CB-OD1 3.37Å; Q419-D421 PolarHBondContact O-N 3.23Å; Q419-G422 WeakPolarHBondContact O-CA 3.45Å; Q419-G422 PolarHBondContact O-N 3.28Å; Q419-S423 PolarHBondContact N-O 3.34Å; Q419-S423 PolarHBondContact NE2-OG 2.98Å
420E81.6Confident85.9Confident120 Ų12071.1 Ų71.156%0.56137%0.37SS*.THydrogen-bonded Turntrans-59.9-31.7-172.1-66.5170.8-164.100114L327 G422L327-E420 HydrophobicContact CB-CG 4.25Å; E420-G422 PolarHBondContact O-N 2.93Å
421D78Confident84.2Confident103 Ų10380.2 Ų80.255%0.55141%0.409SS*.THydrogen-bonded Turntrans-67.2-17.6174.764.6-9.7000113.4K324 Q419 S423K324-D421 WeakPolarHBondContact CE-O 3.36Å; K324-D421 PolarHBondContact NZ-O 3.35Å; Q419-D421 VanDerWaalsContact C-N 3.28Å; Q419-D421 WeakPolarHBondContact CB-OD1 3.37Å; Q419-D421 PolarHBondContact O-N 3.23Å; D421-S423 VanDerWaalsContact CG-OG 3.24Å; D421-S423 VanDerWaalsContact OD1-CB 3.24Å; D421-S423 WeakPolarHBondContact OD1-CB 3.19Å; D421-S423 PolarHBondContact OD1-N 3.46Å; D421-S423 PolarHBondContact OD1-OG 3.49Å; D421-S423 PolarHBondContact OD2-OG 3.48Å; D421-S423 VanDerWaalsContact OD2-OG 3.1Å
422G77.4Confident82.2Confident18 Ų1881.4 Ų81.419%0.18640%0.403CS..SBendtrans95.62.5-173.900000114Q419 E420Q419-G422 WeakPolarHBondContact O-CA 3.45Å; Q419-G422 PolarHBondContact O-N 3.28Å; E420-G422 PolarHBondContact O-N 2.93Å
423S87.1Confident80.2Confident38 Ų3881 Ų8127%0.26641%0.413SS..  trans-72164.8170.570.20000111.4F418 Q419 D421F418-S423 WeakPolarHBondContact CA-O 3.41Å; Q419-S423 PolarHBondContact N-O 3.34Å; Q419-S423 PolarHBondContact NE2-OG 2.98Å; D421-S423 VanDerWaalsContact CG-OG 3.24Å; D421-S423 VanDerWaalsContact OD1-CB 3.24Å; D421-S423 WeakPolarHBondContact OD1-CB 3.19Å; D421-S423 PolarHBondContact OD1-N 3.46Å; D421-S423 PolarHBondContact OD1-OG 3.49Å; D421-S423 PolarHBondContact OD2-OG 3.48Å; D421-S423 VanDerWaalsContact OD2-OG 3.1Å
424W92.8Very high78Confident70 Ų7088.7 Ų88.727%0.26545%0.451SS..EExtended strand (participates in β ladder)trans-134.4149.817661.2-84.6000110.7I406 D409 C410 I416 K417 F418 P426I406-W424 HydrophobicContact CB-CZ2 4.33Å; I406-W424 HydrophobicContact CD1-CD2 4.26Å; I406-W424 HydrophobicContact CD1-CG 4.14Å; I406-W424 HydrophobicContact CG1-CD2 4.12Å; I406-W424 HydrophobicContact CG1-CG 4.42Å; I406-W424 HydrophobicContact CG1-CZ2 3.98Å; I406-W424 HydrophobicContact CG2-CD2 4.22Å; I406-W424 HydrophobicContact CG2-CE3 4.02Å; I406-W424 HydrophobicContact CG2-CH2 3.81Å; I406-W424 HydrophobicContact CG2-CZ2 4Å; I406-W424 HydrophobicContact CG2-CZ3 3.81Å; D409-W424 HydrophobicContact CB-CH2 4.08Å; D409-W424 HydrophobicContact CB-CZ2 3.98Å; C410-W424 HydrophobicContact CB-CH2 4.2Å; C410-W424 HydrophobicContact CB-CZ3 4.42Å; I416-W424 HydrophobicContact CB-CE3 4.38Å; I416-W424 HydrophobicContact CG2-CE3 3.86Å; I416-W424 HydrophobicContact CG2-CZ3 4.15Å; K417-W424 CarbonylContact O-C 3.6Å; K417-W424 VanDerWaalsContact O-CA 3.28Å; K417-W424 WeakPolarHBondContact O-CA 3.37Å; F418-W424 HydrophobicContact CD1-CB 3.67Å; F418-W424 HydrophobicContact CE1-CB 3.78Å; F418-W424 HydrophobicContact CE1-CG 4.36Å; W424-P426 HydrophobicContact CZ3-CG 4.05Å
425C91.2Very high75.4Confident48 Ų4894.1 Ų94.132%0.32447%0.47SS..EExtended strand (participates in β ladder)trans-128.5144.1171.3620000111.5I416 K417 M427I416-C425 WeakPolarHBondContact CA-O 3.34Å; K417-C425 PolarHBondContact N-O 3.05Å; K417-C425 PolarHBondContact O-N 3.23Å; C425-M427 PolarHBondContact O-N 2.87Å
426P91.9Very high72.6Confident56 Ų5696.7 Ų96.736%0.36449%0.49SS..EExtended strand (participates in β ladder)trans-71.2128.3177.5-11.325.3000111.3V413 W424 R428V413-P426 HydrophobicContact CB-CB 4.05Å; V413-P426 HydrophobicContact CG1-CB 3.91Å; V413-P426 HydrophobicContact CG2-CB 3.75Å; W424-P426 HydrophobicContact CZ3-CG 4.05Å; P426-R428 PolarHBondContact O-N 2.63Å; P426-R428 VanDerWaalsContact O-N 3.07Å
427M89.3Confident69.9Low59 Ų59101.4 Ų101.429%0.29152%0.523SS..  trans-84.379.4174.1-71.9-162.361.400110.8R341 E415 K417 C425R341-M427 HydrophobicContact CG-SD 3.68Å; R341-M427 PolarHBondContact NE-SD 2.84Å; E415-M427 HydrophobicContact CB-CB 3.92Å; E415-M427 PolarHBondContact O-N 2.77Å; K417-M427 HydrophobicContact CB-CG 3.9Å; K417-M427 HydrophobicContact CB-SD 3.94Å; C425-M427 PolarHBondContact O-N 2.87Å
428R81.2Confident67.2Low164 Ų164102.7 Ų102.762%0.61954%0.542SS*.  trans-68.6131.8167.4-71.3-175.9174.4137.21109.6D412 V413 P426 K430D412-R428 IonicContact OD1-NH2 2.82Å; D412-R428 IonicContact OD2-CZ 2.67Å; D412-R428 VanDerWaalsContact OD2-CZ 3.27Å; D412-R428 IonicContact OD2-NE 3.74Å; D412-R428 PolarHBondContact OD2-NE 2.95Å; D412-R428 IonicContact OD2-NH2 2.95Å; D412-R428 PolarHBondContact OD2-NH2 2.86Å; V413-R428 HydrophobicContact CG2-CG 3.8Å; P426-R428 PolarHBondContact O-N 2.63Å; P426-R428 VanDerWaalsContact O-N 3.07Å; R428-K430 PolarHBondContact O-N 3.44Å
429P66Low64.5Low123 Ų123111 Ų11180%0.79958%0.58SS**  trans-53.8126.6172.5-26.434.8000110.3K431P429-K431 PolarHBondContact O-N 2.89Å
430K56.8Low62.1Low170 Ų170112.6 Ų112.674%0.73960%0.598SS**  trans-71.282.5-179.4-168.3-165.8-177.4-159.50108.9R428 E432R428-K430 PolarHBondContact O-N 3.44Å; K430-E432 VanDerWaalsContact C-N 3.29Å; K430-E432 HydrophobicContact CD-CG 4.23Å; K430-E432 WeakPolarHBondContact CD-OE1 3.39Å; K430-E432 WeakPolarHBondContact CE-OE1 3.4Å; K430-E432 HydrophobicContact CG-CG 4.29Å; K430-E432 IonicContact NZ-OE1 3.03Å; K430-E432 PolarHBondContact NZ-OE1 2.85Å; K430-E432 WeakPolarHBondContact O-CG 3.48Å; K430-E432 PolarHBondContact O-N 2.82Å
431K50.8Low59.6Low201 Ų201112.9 Ų112.987%0.87461%0.612SS**  trans-64.992.6173.3-173.5175-175.5175.70107.9P429 A433P429-K431 PolarHBondContact O-N 2.89Å; K431-A433 VanDerWaalsContact C-N 3.32Å; K431-A433 PolarHBondContact O-N 3.26Å
432E43.3Very low57.4Low128 Ų128114.1 Ų114.160%0.59862%0.624SS**  trans-66.993.6-179.6-61.8-141.5138.200109.4K430 M434K430-E432 VanDerWaalsContact C-N 3.29Å; K430-E432 HydrophobicContact CD-CG 4.23Å; K430-E432 WeakPolarHBondContact CD-OE1 3.39Å; K430-E432 WeakPolarHBondContact CE-OE1 3.4Å; K430-E432 HydrophobicContact CG-CG 4.29Å; K430-E432 IonicContact NZ-OE1 3.03Å; K430-E432 PolarHBondContact NZ-OE1 2.85Å; K430-E432 WeakPolarHBondContact O-CG 3.48Å; K430-E432 PolarHBondContact O-N 2.82Å; E432-M434 PolarHBondContact O-N 2.88Å
433A43.1Very low55.2Low87 Ų87122.6 Ų122.672%0.71966%0.655SS**  trans-65.191.116300000107.4K431 K435K431-A433 VanDerWaalsContact C-N 3.32Å; K431-A433 PolarHBondContact O-N 3.26Å; A433-K435 PolarHBondContact O-N 2.91Å
434M45.6Very low52.8Low166 Ų166127.7 Ų127.782%0.81868%0.678SS**  trans-55.692.6165.8-78.1-173169.800108.4E432 V436E432-M434 PolarHBondContact O-N 2.88Å; M434-V436 PolarHBondContact O-N 3.04Å
435K39.3Very low49.8Very low198 Ų198132.7 Ų132.786%0.86171%0.705SS**  trans-68.785.7164.2-85-169.5171.1-174.90107.3A433 S437A433-K435 PolarHBondContact O-N 2.91Å; K435-S437 VanDerWaalsContact C-N 3.28Å; K435-S437 PolarHBondContact O-N 3.45Å
436V37.3Very low46.9Very low121 Ų121135.4 Ų135.473%0.73372%0.724SS**  trans-59.597.6163.6178.10000106.6M434 S438M434-V436 PolarHBondContact O-N 3.04Å; V436-S438 PolarHBondContact O-N 3.19Å
437S37.8Very low44Very low99 Ų99138.3 Ų138.369%0.69275%0.746SS**  trans-77.275.6-178.3178.10000109.5K435 Q439K435-S437 VanDerWaalsContact C-N 3.28Å; K435-S437 PolarHBondContact O-N 3.45Å; S437-Q439 PolarHBondContact O-N 3.21Å
438S38.2Very low41.1Very low103 Ų103140 Ų14072%0.7276%0.763SS**  trans-70.279.217451.70000110.8V436 P440V436-S438 PolarHBondContact O-N 3.19Å; S438-P440 WeakPolarHBondContact O-CD 3.35Å
439Q36.3Very low38.9Very low173 Ų173138.5 Ų138.581%0.80877%0.772SS**PPolyproline II helixtrans-73.2121.6161.9-80.6-169-3200109.4S437S437-Q439 PolarHBondContact O-N 3.21Å
440P39.6Very low37.4Very low120 Ų120140 Ų14078%0.77977%0.773SS**PPolyproline II helixtrans-71.9130.8164.9-10.728.2000109S438S438-P440 WeakPolarHBondContact O-CD 3.35Å
441C28.1Very low36.2Very low126 Ų126136.7 Ų136.785%0.85177%0.771SS**PPolyproline II helixtrans-89.2122.4174.8-176.60000110.4
442T31.5Very low35.3Very low129 Ų129136.2 Ų136.279%0.79177%0.769SS**  trans-152.4111166.5-4.90000114.5
443K31.3Very low35.3Very low195 Ų195135 Ų13585%0.84877%0.772SS**  trans69.1155.5151.1-130.6179.5179.1-168.30119.8
444I38.5Very low34.7Very low146 Ų146136.5 Ų136.575%0.74978%0.776SS**  trans-125.3141.7-171.5-64.4160.8000107.7
445E29.3Very low34Very low175 Ų175134.1 Ų134.182%0.81878%0.775SS**  trans-172.2110.5137.8-106.4158.6-168.800114.5
446S28.9Very low33.5Very low104 Ų104129.8 Ų129.873%0.72777%0.765SS**  trans51.1134.1130.6-52.80000124.9
447S31.7Very low33.2Very low118 Ų118130.3 Ų130.383%0.82577%0.769SS**  trans74.7146.9148.8-69.10000119.5
448S29.3Very low32.9Very low94 Ų94132.2 Ų132.266%0.65778%0.776SS**  cis-169.8151.6-7.350.10000112
449V33.5Very low32.6Very low133 Ų133131.4 Ų131.481%0.80678%0.776SS**  trans43.8141.8156.5-59.10000119.8
450L34.1Very low32.4Very low155 Ų155129.1 Ų129.181%0.81278%0.779SS**  cis-153.8-166.614.2-149.955.7000106.1
451S31.8Very low32.2Very low100 Ų100132.7 Ų132.770%0.69979%0.785SS**  cis-148.1-127.112-64.30000113.1
452K33.4Very low32.4Very low190 Ų190130.9 Ų130.983%0.82678%0.779SS**  trans-177.4-177.9-163.6-113.8-178.7-179.81780108.4
453P43.4Very low32.5Very low102 Ų102130.4 Ų130.466%0.66278%0.781SS**  cis-138.5160.6-0.231.5-9.8000118.5
454C29.9Very low32.7Very low119 Ų119130.6 Ų130.680%0.80478%0.782SS**  trans56.8163.7142.7-58.60000120.5
455S30Very low32.7Very low116 Ų116133 Ų13381%0.81179%0.787SS**  cis-153.5-171.315.376.80000111.4
456V30Very low33.1Very low107 Ų107133.8 Ų133.865%0.64879%0.788SS**  -162.2123.6-51.7142.70000109.7
457T29.8Very low33.8Very low132 Ų132134.8 Ų134.881%0.8179%0.789SS**  trans60.8166.7164.358.40000118.5
458V32.5Very low34.3Very low139 Ų139135.9 Ų135.984%0.84279%0.786SS**  cis-131.1160.216.3-177.10000111.4
459A32.2Very low35.2Very low86 Ų86136.7 Ų136.771%0.71179%0.787SS**  trans-88.9165.1-176.700000115.1
460S32.4Very low36.1Very low125 Ų125136.9 Ų136.987%0.87478%0.782SS**  trans-154.1131.5153.8-75.60000109
461E33.4Very low36.6Very low196 Ų196134 Ų13492%0.91677%0.767SS**  trans-86.2140-177-62.3-173.6121.200112
462A34.3Very low37.2Very low88 Ų88136.9 Ų136.973%0.72777%0.774SS**  trans-140.994.1167.400000109.1K464A462-K464 VanDerWaalsContact C-N 3.33Å; A462-K464 PolarHBondContact O-N 3.4Å
463S32.6Very low37.9Very low119 Ų119132.1 Ų132.183%0.83276%0.761SS**  trans-73.578.6-171.842.90000112.6K465S463-K465 PolarHBondContact O-N 3.12Å
464K36.3Very low37.8Very low198 Ų198133.7 Ų133.786%0.86176%0.762SS**  trans-62.295.4168.3-69.2-173.6178.8-1770110A462 K466A462-K464 VanDerWaalsContact C-N 3.33Å; A462-K464 PolarHBondContact O-N 3.4Å; K464-K466 PolarHBondContact O-N 3.14Å
465K37.3Very low38.2Very low198 Ų198137.3 Ų137.386%0.86177%0.767SS**PPolyproline II helixtrans-54.1124.9164.8-72.3-175.9176.4-178.60108.3S463S463-K465 PolarHBondContact O-N 3.12Å
466K38.7Very low38.5Very low190 Ų190137.6 Ų137.683%0.82677%0.769SS**PPolyproline II helixtrans-68.4138.1165.2-69.3-178.1177.2-179.30108K464K464-K466 PolarHBondContact O-N 3.14Å
467V43.8Very low38.9Very low126 Ų126137.9 Ų137.976%0.76478%0.776SS**PPolyproline II helixtrans-91.7120.5163.7176.40000106.2V469V467-V469 PolarHBondContact O-N 3.06Å
468D41.4Very low39.1Very low140 Ų140136.5 Ų136.575%0.74977%0.771SS**  trans-77.6107.1176-74-38.7000109.5I470D468-I470 PolarHBondContact O-N 3.13Å
469V49.2Very low39.2Very low112 Ų112136.3 Ų136.368%0.67977%0.766SS**  trans-83.2101.9177.81800000108.8V467 D471V467-V469 PolarHBondContact O-N 3.06Å; V469-D471 PolarHBondContact O-N 3.2Å
470I52.6Low39.6Very low137 Ų137140.6 Ų140.670%0.70377%0.771SS**  trans-80.4102.5176.2-57.5174.5000108.8D468 L472D468-I470 PolarHBondContact O-N 3.13Å; I470-L472 HydrophobicContact CG2-CD2 3.8Å; I470-L472 HydrophobicContact CG2-CG 4.16Å; I470-L472 PolarHBondContact O-N 2.86Å
471D44.5Very low39.9Very low95 Ų95143.7 Ų143.751%0.50877%0.772SS.*  trans-77.3106.7172-168.7-20.6000110.1V469 T473V469-D471 PolarHBondContact O-N 3.2Å; D471-T473 PolarHBondContact O-N 2.86Å; D471-T473 WeakPolarHBondContact OD1-CA 3.42Å; D471-T473 WeakPolarHBondContact OD1-CB 3.41Å; D471-T473 PolarHBondContact OD1-N 3.36Å; D471-T473 PolarHBondContact OD1-OG1 3.03Å
472L42.5Very low39.9Very low160 Ų160143.4 Ų143.484%0.83877%0.771SS**THydrogen-bonded Turntrans-85.514.2178.2-64.8174.7000113.3I470I470-L472 HydrophobicContact CG2-CD2 3.8Å; I470-L472 HydrophobicContact CG2-CG 4.16Å; I470-L472 PolarHBondContact O-N 2.86Å
473T49Very low40.1Very low89 Ų89146.8 Ų146.855%0.54678%0.776SS.*THydrogen-bonded Turntrans-1007.6179.870.40000114.9D471D471-T473 PolarHBondContact O-N 2.86Å; D471-T473 WeakPolarHBondContact OD1-CA 3.42Å; D471-T473 WeakPolarHBondContact OD1-CB 3.41Å; D471-T473 PolarHBondContact OD1-N 3.36Å; D471-T473 PolarHBondContact OD1-OG1 3.03Å
474I40.8Very low40.2Very low136 Ų136146.1 Ų146.170%0.69777%0.769SS**SBendtrans-92.5116.516749.1172.5000111S476I474-S476 PolarHBondContact O-N 3.03Å
475E39.1Very low40.2Very low195 Ų195142.6 Ų142.691%0.91177%0.767SS**  trans-76.5116.9174.4-69.3-175.2124.200110.6S477E475-S477 VanDerWaalsContact C-N 3.33Å; E475-S477 PolarHBondContact O-N 3.01Å
476S36Very low40Very low121 Ų121137.4 Ų137.485%0.84676%0.761SS**  trans-71.786.9168.3-65.20000110.7I474 S478I474-S476 PolarHBondContact O-N 3.03Å; S476-S478 VanDerWaalsContact C-N 3.35Å; S476-S478 PolarHBondContact O-N 2.85Å
477S37.5Very low39.8Very low113 Ų113138.3 Ų138.379%0.7977%0.765SS**  trans-70.691.2164.2-172.10000109.2E475 D479E475-S477 VanDerWaalsContact C-N 3.33Å; E475-S477 PolarHBondContact O-N 3.01Å; S477-D479 PolarHBondContact O-N 2.9Å
478S34Very low39.1Very low103 Ų103144.6 Ų144.672%0.7278%0.775SS**  trans-78.7107.5170.4-161.30000108.5S476S476-S478 VanDerWaalsContact C-N 3.35Å; S476-S478 PolarHBondContact O-N 2.85Å
479D35.9Very low38.6Very low136 Ų136147.3 Ų147.373%0.72778%0.78SS**  trans-86.4125.8174.9-139.9-5.3000108.7S477S477-D479 PolarHBondContact O-N 2.9Å
480E39.6Very low37.5Very low175 Ų175147.9 Ų147.982%0.81879%0.787SS**  trans-130.8109.8176-74.9-92.7128.600106.6
481E38.5Very low36.3Very low190 Ų190147.7 Ų147.789%0.88879%0.786SS**  trans-80133.1-173.7-62.2-154.5128.900112.6
482E34.3Very low35.3Very low191 Ų191152.7 Ų152.789%0.89380%0.804SS**  trans-130.9116.9164.1-165.5175.8-165.300109.5
483D38.5Very low34.6Very low158 Ų158153.5 Ų153.585%0.84581%0.806SS**  trans-101.3121.4-164.5-17621.8000112.7
484P33.9Very low33.6Very low105 Ų105153.6 Ų153.668%0.68281%0.81SS**  trans-115.4147172.930.3-14.6000114.4
485P36.2Very low32.9Very low125 Ų125156.5 Ų156.581%0.81282%0.82SS**  trans-93.7150.2-149.635-39.1000118.6
486A34Very low32.3Very low89 Ų89152.8 Ų152.874%0.73681%0.811SS**  trans52.287139.600000121.2
487K34.8Very low31.9Very low209 Ų209156.2 Ų156.291%0.90981%0.814SS**  trans35120.2131.9-63.2176.5-179.3171.80119.8
488R29.4Very low31.4Very low257 Ų257156.9 Ų156.997%0.9782%0.819SS**  trans-123.3156.1144.2-75.6-173.1173.9176.4-0.9111
489K30.2Very low31.2Very low198 Ų198157.4 Ų157.486%0.86182%0.822SS**  trans-96149.8-170.4-62.9177.1178.9177.30112.8
490C25.5Very low31.4Very low123 Ų123156.5 Ų156.583%0.83182%0.824SS**  trans-147.597.8142.9-153.30000106
491I27.3Very low31Very low134 Ų134155 Ų15569%0.68783%0.827SS**  59.7103.884.1-58.9-179.1000111.6
492F23.9Very low30.7Very low200 Ų200156 Ų15688%0.87783%0.828SS**  trans-87.5140.7167.4-140.1-97000107.9
493M27.9Very low30.5Very low177 Ų177150.6 Ų150.687%0.87282%0.824SS**  trans-131.6137.5160.2-80.6-165.668.300109.4
494S27.3Very low30.2Very low91 Ų91149.5 Ų149.564%0.63682%0.822SS**  trans-117.6135.7-178.453.10000109.4
495E26.1Very low30.1Very low196 Ų196152.6 Ų152.692%0.91683%0.833SS**  trans-107.1152.6162.6-69.9-162.9135.300110.8
496T27.2Very low29.8Very low117 Ų117155.1 Ų155.172%0.71884%0.836SS**  trans-138.2131.7-173.435.50000112.1
497Q28.6Very low29.5Very low194 Ų194161.1 Ų161.191%0.90784%0.841SS**  trans66118156.7-58.4-173.641.800119
498S25.7Very low29.4Very low127 Ų127159 Ų15989%0.88883%0.834SS**  trans-128.6163.813362.40000108.6
499S30.3Very low29.5Very low113 Ų113152.6 Ų152.679%0.7983%0.826SS**  trans-110.6171.9-157.377.70000113.8
500P40.3Very low29.6Very low117 Ų117148.1 Ų148.176%0.7682%0.819SS**  trans-97.5160.4-144.437-38.7000116.3
501T30.7Very low29.9Very low145 Ų145148 Ų14889%0.8982%0.82SS**  trans-146.3154.8152.5-48.70000111.3
502K32.7Very low30.2Very low210 Ų210148.3 Ų148.391%0.91383%0.828SS**  trans-63.1146.7-167.1-57.8165.7-179173.30114.9
503G30.2Very low30.7Very low78 Ų78150.2 Ų150.280%0.80483%0.829SS**  trans178.195.516200000113.2
504V32.3Very low30.9Very low134 Ų134148.1 Ų148.181%0.81283%0.826SS**  trans-111.3118.8177.61770000110
505L31.8Very low31.3Very low171 Ų171149.5 Ų149.590%0.89583%0.832SS**  trans-139.2110162.1-73.7177.8000109.3
506M30.4Very low31.4Very low178 Ų178145.9 Ų145.988%0.87783%0.829SS**  trans-84.4138.1162.2-77.7-94.885.400108.5
507Y27.5Very low31.7Very low215 Ų215146.7 Ų146.784%0.84383%0.834SS**  trans-104.3130.1174.8-161.4-91000110.6
508Q31.4Very low31.9Very low164 Ų164144.2 Ų144.277%0.76683%0.832SS**  trans-105.9140.8-173.4-167.1177.97.700110.2
509P32.9Very low32.4Very low122 Ų122143.6 Ų143.679%0.79283%0.827SS**PPolyproline II helixtrans-72.2132.1177.728.7-34.4000111.8
510S30.7Very low32.5Very low105 Ų105145.5 Ų145.573%0.73483%0.834SS**PPolyproline II helixtrans-76.3131.6-173.8-50.80000113.6
511S32.2Very low32.2Very low119 Ų119147 Ų14783%0.83284%0.836SS**PPolyproline II helixtrans-86.4140.7169.454.10000112
512V34.9Very low32.9Very low142 Ų142145.3 Ų145.386%0.86183%0.827SS**PPolyproline II helixtrans-97.6136.9175.1178.80000109.8
513R32.5Very low32.9Very low240 Ų240140 Ų14091%0.90682%0.823SS**PPolyproline II helixtrans-75147.4-177.1-74.3178.5172.2156.5-3.5113.1
514V33.3Very low33Very low133 Ų133141.2 Ų141.281%0.80683%0.825SS**PPolyproline II helixtrans-101.3139.4157.4-1730000108.1
515P34.6Very low33.2Very low119 Ų119142.5 Ų142.577%0.77383%0.826SS**PPolyproline II helixtrans-70.6143171.6-16.531.5000111.9
516S29.3Very low33.9Very low120 Ų120139.7 Ų139.784%0.83982%0.818SS**PPolyproline II helixtrans-94.9155.5173.3-168.80000111.4
517V32.7Very low34.6Very low135 Ų135136.9 Ų136.982%0.81881%0.812SS**  trans-112.7133.7174.9-174.20000108.6
518T32.5Very low35Very low142 Ų142131.3 Ų131.387%0.87181%0.805SS**  trans-83.1151-178.539.20000113.4
519S36.2Very low35Very low113 Ų113130.8 Ų130.879%0.7981%0.807SS**  trans-95.8152.6-170.249.60000114.8
520V33.6Very low34.9Very low154 Ų154130.2 Ų130.293%0.93380%0.801SS**  trans-141.8154.2149.4-166.80000107.6
521D33.2Very low35Very low149 Ų149131.7 Ų131.780%0.79780%0.801SS**  trans-111.7-155.6-162.9-154.118.4000112.4
522P46Very low34.9Very low108 Ų108137.5 Ų137.570%0.70181%0.806SS**  -122.3171.6-123.739.1-20.3000115.8
523A32.4Very low34.9Very low100 Ų100135.7 Ų135.783%0.82680%0.8SS**  trans-154.2138.2169.300000115.5
524A32.9Very low34.9Very low103 Ų103130.5 Ų130.585%0.85180%0.795SS**  trans68.5150.5160.800000119.9
525I35.3Very low35.1Very low161 Ų161128.6 Ų128.683%0.82679%0.785SS**  trans-120.4-156.9-164.2-34.6177.4000110.2
526P46.5Very low34.9Very low112 Ų112132.6 Ų132.673%0.72779%0.79SS**  -95.1-164-127.144.1-26.9000113.1
527P46.4Very low35Very low118 Ų118135 Ų13577%0.76679%0.788SS**  cis-142.6-172.712.443.7-21.9000119.1
528S35Very low34.8Very low99 Ų99137.4 Ų137.469%0.69279%0.79SS**  trans-75.6161.5179.353.80000116.1
529L32.1Very low34.6Very low152 Ų152137.4 Ų137.480%0.79679%0.79SS**  -177.4152.4113.2-95.8164.8000114.9
530T29.9Very low35Very low110 Ų110137.8 Ų137.868%0.67579%0.79SS**  trans45.9123.1155.151.70000123.6
531D34.2Very low34.8Very low137 Ų137138.3 Ų138.373%0.73379%0.786SS**  28.9130.2123.1-55.7-63.5000121.8
532Y30.2Very low34.8Very low240 Ų240135.7 Ų135.794%0.94178%0.779SS**  -152.3143.1124.3-112.4-76.5000110.8
533S33.3Very low34.1Very low105 Ų105135.3 Ų135.373%0.73478%0.779SS**  trans-106.6150175.6-44.60000111.5
534V33.3Very low33.9Very low131 Ų131138.5 Ų138.579%0.79478%0.779SS**  trans-166.4146.8150.4128.70000109.8
535P37.7Very low33.7Very low92 Ų92138.8 Ų138.860%0.59778%0.775SS**  trans-96.3165.4-169.738-36.6000114.5
536F30.5Very low33.5Very low203 Ų203135.5 Ų135.589%0.8977%0.766SS**  trans-115.7134.8162.7-83.5-82.8000111.2
537H30.2Very low32.8Very low172 Ų172137 Ų13780%0.79677%0.768SS**  trans-88.8151-178.7-72.4-105.4000112
538H30.3Very low32.2Very low185 Ų185138.9 Ų138.986%0.85677%0.771SS**  trans-94143.7168.1-62.3-85.8000111.2
539T28.3Very low32.9Very low141 Ų141139.7 Ų139.787%0.86577%0.773SS**  trans-137116.6164.613.80000110.2
540P42.8Very low32.8Very low121 Ų121135.9 Ų135.979%0.78677%0.771SS**  trans-101.1146.117736.6-31.2000112.2
541I31.1Very low32.9Very low165 Ų165139 Ų13985%0.84678%0.783SS**  trans-138.7145167-61-176.3000109.7
542S31.5Very low33Very low94 Ų94139.3 Ų139.366%0.65778%0.784SS**  trans-140.9146.3-178.555.80000111.2
543S31.4Very low33.1Very low100 Ų100137.4 Ų137.470%0.69978%0.781SS**  trans59.9172178.452.70000114.1
544M29.1Very low33.1Very low167 Ų167139.2 Ų139.282%0.82378%0.782SS**  cis-145.2-170.715.328.3-8814600111.7
545S27.5Very low33Very low110 Ų110138.1 Ų138.177%0.76978%0.78SS**  trans-88.6162.3-165.3-173.90000116.4
546S33Very low32.8Very low92 Ų92141.8 Ų141.864%0.64379%0.794SS**  trans122.3115132-84.70000120.9
547D31.8Very low33.1Very low143 Ų143139.6 Ų139.677%0.76579%0.79SS**  trans75.2155133-59.6-63.4000123.7
548L33.3Very low33.8Very low158 Ų158136.7 Ų136.783%0.82779%0.786SS**  trans-73.6179.4-166.2-94.670.4000116.1
549P48.8Very low33.9Very low115 Ų115134.4 Ų134.475%0.74779%0.785SS**  cis-141.4160.9-26.234.4-16.1000116.5
550G29.9Very low34.1Very low72 Ų72134.3 Ų134.374%0.74278%0.779SS**  trans79131.8132.400000121.9
551L33Very low34.5Very low177 Ų177133.1 Ų133.193%0.92777%0.771SS**  179.3150.1126.8-97.6172.2000111
552D35.5Very low34.5Very low143 Ų143133 Ų13377%0.76577%0.767SS**  trans-80.5162.4173.9-57.7-80.8000112.8
553F32.7Very low34.3Very low200 Ų200138.1 Ų138.188%0.87777%0.773SS**  -167.7176116.8-119.3-90.5000112.9
554L33.5Very low34.2Very low142 Ų142138.4 Ų138.474%0.74377%0.774SS**  trans-98.8150.3-155.2-69.1162.6000116.9
555S31.6Very low34.7Very low108 Ų108136.2 Ų136.276%0.75577%0.772SS**  trans32.9140.2134.7-51.70000122.9
556L31.9Very low35.9Very low169 Ų169136.8 Ų136.889%0.88577%0.773SS**  trans-157.3143.7135-109.4172.1000112.2
557I37.4Very low35.9Very low158 Ų158140.2 Ų140.281%0.8178%0.781SS**  trans-138.8137.1171.4-49.7168.6000107.1
558P45.4Very low36Very low111 Ų111142 Ų14272%0.72178%0.783SS**  -145.3161127.537-22.3000111.8
559V31.9Very low36Very low137 Ų137141.1 Ų141.183%0.8378%0.778SS**  cis180150.5-6.1137.60000104.2
560D33.3Very low35.2Very low139 Ų139141.9 Ų141.974%0.74378%0.776SS**  trans-83.7167.9176.7-164.532.3000111.4
561P49.7Very low35.4Very low95 Ų95142.9 Ų142.962%0.61777%0.771SS**  -165.3177.183.648-26.9000120.4
562Q32.2Very low35.4Very low163 Ų163141.6 Ų141.676%0.76277%0.765SS**  trans101122.9142.8-78.1172.936.500124.2
563Y27.2Very low35.3Very low202 Ų202141 Ų14179%0.79277%0.766SS**  trans89.3108139.2-97.7-103.9000125.2
564C29.1Very low35.2Very low105 Ų105136.7 Ų136.771%0.70976%0.761SS**  21.8166128.8-59.50000124.1
565P40.2Very low35.9Very low121 Ų121135.1 Ų135.179%0.78676%0.759SS**  cis-134.8-173.9-2537.6-18000114.3
566P52.2Low36.1Very low122 Ų122137.5 Ų137.579%0.79276%0.763SS**  trans-113.8156.4179.739.6-31.4000117.2
567M32.8Very low36.1Very low165 Ų165135.2 Ų135.281%0.81376%0.756SS**  trans-148.7132167-73.1-158.476.200109.6
568F33.7Very low35.8Very low181 Ų181132.2 Ų132.279%0.79475%0.754SS**  54.2130.292.2-80.2-66.8000114.5
569L35Very low35.2Very low139 Ų139132.9 Ų132.973%0.72876%0.762SS**  cis-130.6-158.712.6-100.6165.5000110.4
570D31.7Very low35.3Very low131 Ų131131.3 Ų131.370%0.70176%0.757SS**  cis-156.3-153.811.4-145-58.5000113.2
571S33.7Very low35.2Very low93 Ų93130.3 Ų130.365%0.6576%0.756SS**  trans-85.6173.8-169.3-54.90000114.7
572L33.6Very low34.4Very low150 Ų150130.4 Ų130.479%0.78576%0.759SS**  cis-155.1150.747.3-83.4167.6000117.2
573T31.7Very low34.3Very low129 Ų129128.7 Ų128.779%0.79176%0.759SS**  trans66.9119.3148.648.20000122.5
574S31.2Very low34.6Very low111 Ų111124.7 Ų124.778%0.77676%0.756SS**  trans-89.8-176157.8-42.90000111
575P49.3Very low34.7Very low108 Ų108125 Ų12570%0.70176%0.755SS**  -150.614676.536.1-15.5000118.4
576L35.7Very low34.3Very low159 Ų159124.8 Ų124.883%0.83275%0.751SS**  trans54.6148.5133.7-56.6173.3000120.7
577T31.6Very low33.4Very low121 Ų121124.5 Ų124.574%0.74275%0.753SS**  cis-132.8139.8-447.10000108.3
578A31.2Very low33.4Very low94 Ų94121.8 Ų121.878%0.77775%0.75SS**  cis79.292.84400000115.4
579S32.6Very low33.3Very low125 Ų125121.4 Ų121.487%0.87475%0.75SS**  trans-152.6136148.4560000110.9
580S33.1Very low33.1Very low104 Ų104123.6 Ų123.673%0.72776%0.757SS**  trans-84.8179.9-179.457.80000110.9
581T32.6Very low33.2Very low119 Ų119122.3 Ų122.373%0.7376%0.758SS**  cis-166.3166.243.1-36.70000112.8
582S32.4Very low33.1Very low96 Ų96122.9 Ų122.967%0.67176%0.762SS**  trans-57.3171.5160.441.50000112.2
583V30.6Very low33.1Very low127 Ų127121.2 Ų121.277%0.7776%0.758SS**  cis-156.4173.543.6-145.10000113.2
584T31.8Very low33.3Very low118 Ų118123.1 Ų123.172%0.72476%0.758SS**  trans-55.1171.2163.710.90000113.6
585T31.4Very low33.4Very low111 Ų111123.4 Ų123.468%0.68175%0.754SS**  cis-166.2159.930.6-12.10000113.5
586T32.5Very low32.6Very low117 Ų117124.3 Ų124.372%0.71876%0.763SS**  trans44.7124.5147.653.80000125.2
587S32.6Very low32.5Very low117 Ų117122.4 Ų122.482%0.81876%0.763SS**  trans58.9158.9136.469.30000120.8
588S32.8Very low32.5Very low107 Ų107122.3 Ų122.375%0.74877%0.767SS**  cis-151.7-166.714.159.90000113.6
589H32.8Very low32.8Very low174 Ų174123.3 Ų123.381%0.80677%0.769SS**  trans-48.6168.4168.4-63.7-103.8000114.3
590E29.8Very low32.9Very low185 Ų185122.4 Ų122.486%0.86476%0.762SS**  cis-157.4-141.336.9-152.117117600115.8
591S34.2Very low32.9Very low103 Ų103128.2 Ų128.272%0.7277%0.768SS**  trans-130-167.1-151.5-52.50000116.5
592S32.3Very low33.1Very low106 Ų106126.4 Ų126.474%0.74176%0.76SS**  trans82.9128-178.879.80000115.1
593T34Very low33.2Very low114 Ų114130.2 Ų130.270%0.69977%0.768SS**  cis7911140.967.20000115.7
594H35.6Very low33.6Very low170 Ų170130.6 Ų130.679%0.78777%0.771SS**  179.4128.3110.3-98.9-76.6000115.6
595V33.7Very low33.5Very low116 Ų116128.6 Ų128.670%0.70377%0.773SS**  trans25.9129.9135.1-173.20000121.3
596S31Very low33.8Very low127 Ų127129.8 Ų129.889%0.88878%0.78SS**  trans-157.8159.1136.2-82.10000111.2
597S34.5Very low34.1Very low119 Ų119132.3 Ų132.383%0.83279%0.787SS**  trans-147.3158.2-167.555.70000113.8
598S31.8Very low34.4Very low119 Ų119132.8 Ų132.883%0.83279%0.785SS**  trans-151.5137.9168.455.10000114.3
599S36.4Very low34.4Very low116 Ų116133.6 Ų133.681%0.81179%0.791SS**  trans-67.7172.4169.560000112.1
600S35.2Very low34.6Very low105 Ų105131.4 Ų131.473%0.73480%0.795SS**  cis-156.9-178.7248.80000107.5
601R33.5Very low34.6Very low226 Ų226126.4 Ų126.485%0.85379%0.793SS**  -175.7-179.750.4-153172.4161.3-179.9-5.9111.8
602S36.8Very low34.7Very low81 Ų81126.6 Ų126.657%0.56680%0.795SS**  trans-53.4170.2177.956.60000115.5
603E33.6Very low34.7Very low177 Ų177129.3 Ų129.383%0.82780%0.801SS**  cis-159-175.333.8-147.7144.5143.600115.9
604T38.8Very low35.2Very low135 Ų135130.7 Ų130.783%0.82880%0.803SS**  trans-98157.7-167.348.20000116.1
605G31.2Very low35.8Very low75 Ų75128.8 Ų128.877%0.77381%0.805SS**  trans-161129.7161.100000113.1
606V36.8Very low36.1Very low136 Ų136129.7 Ų129.782%0.82481%0.806SS**  trans-133.2124.1177.5174.60000109.4
607I38.1Very low36.6Very low170 Ų170130.4 Ų130.487%0.87280%0.798SS**  trans-138.8136.6166.1-62.1-176.3000109.1
608T39.2Very low36.9Very low127 Ų127132.7 Ų132.778%0.77980%0.8SS**  trans-94.3143.2176.551.30000111.8
609S33Very low37.2Very low125 Ų125132.3 Ų132.387%0.87480%0.797SS**  trans-149.8151.7152.759.70000111.5
610S38.2Very low37.3Very low127 Ų127134.3 Ų134.389%0.88880%0.798SS**  trans-101.4151.2179.246.80000110.9
611G29.4Very low37.6Very low80 Ų80140.2 Ų140.283%0.82582%0.821SS**  trans-170.180.2-178.700000113
612S36.4Very low37.8Very low107 Ų107136 Ų13675%0.74882%0.82SS**  trans-78.3139.9167.2530000110.7
613N32.3Very low37.8Very low163 Ų163138.8 Ų138.887%0.87283%0.833SS**  trans-162.4149.6139.1-101.2-27.1000112.8
614I43.9Very low38.1Very low144 Ų144136.7 Ų136.774%0.73883%0.833SS**  trans-101.7154.3175.4-62.1159.1000107.5D616I614-D616 HydrophobicContact CG2-CB 4.1Å
615P48.1Very low38Very low130 Ų130136.8 Ų136.884%0.84483%0.834SS**  trans-122.7134.9141.535.1-27.5000110.9
616D39.5Very low38.5Very low135 Ų135140.7 Ų140.772%0.72284%0.837SS**  trans-143.8152.5176.1-158.9-3.8000108.6I614I614-D616 HydrophobicContact CG2-CB 4.1Å
617I42.5Very low38.6Very low141 Ų141141 Ų14172%0.72384%0.838SS**  trans63.3121.7173.7-58.7165000117.1
618I39.4Very low38.6Very low168 Ų168138.9 Ų138.986%0.86284%0.836SS**  -155.8141.6116.1-97.5158.3000108.3
619S38.1Very low38.6Very low111 Ų111139.8 Ų139.878%0.77684%0.84SS**  trans-144.3133.2173.5-179.70000108.2
620L39.8Very low39Very low158 Ų158141.1 Ų141.183%0.82784%0.837SS**  trans158.6123170.1-91.8160.1000104.6
621D40.7Very low39.1Very low229 Ų229142.4 Ų142.4100%1.22583%0.833SS**  cis-126.7032.3-73.6-39.7000114.5

Retrieved 621 of 621 residues in 3057.6 ms (Link to these results)

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