A0A077ZKT6_TRITR Loading...

HTH-type transcriptional regulator ptxR

AlphaFold DB , UniProt , Accession A0A077ZKT6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 263 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
1M52.5Low82.8Confident235 Ų235126.9 Ų126.9100%1.15869%0.687SS**  0108.80-66.2-177.4-12600107.3T3M1-T3 PolarHBondContact O-N 2.75Å
2A80.9Confident82.6Confident110 Ų110119.5 Ų119.591%0.90966%0.662SS**  trans-9280.9178.100000108.8
3T88.7Confident82.7Confident80 Ų80117.6 Ų117.649%0.49166%0.656SS.*  trans-92.4118.7175-56.70000108.5M1 L5 S18M1-T3 PolarHBondContact O-N 2.75Å; T3-L5 HydrophobicContact CG2-CD2 4.3Å; T3-L5 PolarHBondContact O-N 3.48Å; T3-S18 WeakPolarHBondContact CG2-OG 3.46Å
4T91.3Very high82.8Confident92 Ų92112.4 Ų112.456%0.56464%0.635SS**  trans-66.1122.7171.4-56.30000108.5L6 T16T4-L6 VanDerWaalsContact CG2-O 3.3Å; T4-L6 WeakPolarHBondContact CG2-O 3.38Å; T4-T16 HydrophobicContact CG2-CG2 4.09Å; T4-T16 WeakPolarHBondContact O-CG2 3.25Å; T4-T16 PolarHBondContact O-OG1 3.14Å
5L92.2Very high83.1Confident68 Ų68109.3 Ų109.336%0.35662%0.616SS.*  trans-94.6-33.7175.9-59.1-177.1000111.8T3 T16 G19 C22T3-L5 HydrophobicContact CG2-CD2 4.3Å; T3-L5 PolarHBondContact O-N 3.48Å; L5-T16 VanDerWaalsContact C-OG1 3.29Å; L5-T16 WeakPolarHBondContact CA-OG1 3.43Å; L5-T16 PolarHBondContact O-N 3.11Å; L5-T16 PolarHBondContact O-OG1 3.2Å; L5-G19 VanDerWaalsContact O-CA 3.29Å; L5-G19 WeakPolarHBondContact O-CA 3.05Å; L5-C22 HydrophobicContact CD1-CB 4.16Å; L5-C22 HydrophobicContact CD2-CB 4Å
6L91.8Very high83.7Confident75 Ų75104 Ų10439%0.39359%0.587SS.*EExtended strand (participates in β ladder)trans-121.9127.8-174.3-60.9172000110.5T4 V13 A14 L15T4-L6 VanDerWaalsContact CG2-O 3.3Å; T4-L6 WeakPolarHBondContact CG2-O 3.38Å; L6-V13 HydrophobicContact CB-CG1 3.96Å; L6-V13 HydrophobicContact CD1-CG1 4.25Å; L6-V13 HydrophobicContact CD2-CG1 3.91Å; L6-V13 HydrophobicContact CG-CG1 4.26Å; L6-A14 CarbonylContact C-O 3.59Å; L6-A14 WeakPolarHBondContact CA-O 3.23Å; L6-L15 HydrophobicContact CD2-CD2 3.61Å; L6-L15 HydrophobicContact CD2-CG 4.4Å
7N87.3Confident84Confident91 Ų91106.1 Ų106.149%0.48759%0.591SS.*EExtended strand (participates in β ladder)trans-87.3116.3165.1-72.9-31.5000108.5V13 A14 T16N7-V13 CarbonylContact O-C 3.42Å; N7-V13 WeakPolarHBondContact O-CA 3.34Å; N7-A14 PolarHBondContact N-O 3.12Å; N7-A14 PolarHBondContact O-N 3.17Å; N7-T16 WeakPolarHBondContact OD1-CG2 3.35Å
8R85.9Confident84.4Confident206 Ų206102.1 Ų102.178%0.77757%0.571SS**EExtended strand (participates in β ladder)trans-101.3128174.3-60.4-173.9178.4-173.7-1109.3V13R8-V13 HydrophobicContact CG-CG1 4.37Å; R8-V13 HydrophobicContact CG-CG2 4.17Å
9S82.9Confident84.8Confident76 Ų7696.8 Ų96.853%0.53154%0.542SS..EExtended strand (participates in β ladder)trans-131.5169.217476.10000110.2R11 G12S9-R11 PolarHBondContact O-N 3.09Å; S9-R11 VanDerWaalsContact O-N 3.07Å; S9-R11 PolarHBondContact OG-N 3.3Å; S9-R11 VanDerWaalsContact OG-N 3.11Å; S9-G12 PolarHBondContact N-O 2.88Å; S9-G12 PolarHBondContact O-N 2.98Å; S9-G12 VanDerWaalsContact O-N 3.11Å; S9-G12 PolarHBondContact OG-N 2.72Å; S9-G12 PolarHBondContact OG-O 3.34Å
10A80.2Confident85Confident116 Ų11694.8 Ų94.896%0.95953%0.528SS*.THydrogen-bonded Turntrans-60.1-16.117100000113.2
11R77.2Confident85.2Confident247 Ų24795.8 Ų95.893%0.93252%0.524SS*.THydrogen-bonded Turntrans-96.10.2179.5-61.7-177.8-177.4166.20.6113.7S9S9-R11 PolarHBondContact O-N 3.09Å; S9-R11 VanDerWaalsContact O-N 3.07Å; S9-R11 PolarHBondContact OG-N 3.3Å; S9-R11 VanDerWaalsContact OG-N 3.11Å
12G79.8Confident87.1Confident38 Ų3887.4 Ų87.439%0.39249%0.488SS..EExtended strand (participates in β ladder)trans131-170.9-179.600000113.9S9S9-G12 PolarHBondContact N-O 2.88Å; S9-G12 PolarHBondContact O-N 2.98Å; S9-G12 VanDerWaalsContact O-N 3.11Å; S9-G12 PolarHBondContact OG-N 2.72Å; S9-G12 PolarHBondContact OG-O 3.34Å
13V84.6Confident87.3Confident95 Ų9586.6 Ų86.658%0.57646%0.462SS*.EExtended strand (participates in β ladder)trans-110.7129.4179.8-175.20000108.6L6 N7 R8L6-V13 HydrophobicContact CB-CG1 3.96Å; L6-V13 HydrophobicContact CD1-CG1 4.25Å; L6-V13 HydrophobicContact CD2-CG1 3.91Å; L6-V13 HydrophobicContact CG-CG1 4.26Å; N7-V13 CarbonylContact O-C 3.42Å; N7-V13 WeakPolarHBondContact O-CA 3.34Å; R8-V13 HydrophobicContact CG-CG1 4.37Å; R8-V13 HydrophobicContact CG-CG2 4.17Å
14A83.6Confident87Confident45 Ų4585.9 Ų85.937%0.37245%0.453SS..EExtended strand (participates in β ladder)trans-123.3147175.200000110.6L6 N7L6-A14 CarbonylContact C-O 3.59Å; L6-A14 WeakPolarHBondContact CA-O 3.23Å; N7-A14 PolarHBondContact N-O 3.12Å; N7-A14 PolarHBondContact O-N 3.17Å
15L87Confident86.9Confident66 Ų6686.5 Ų86.535%0.34645%0.449SS..EExtended strand (participates in β ladder)trans-69.7139172.1-71.2164.8000110.1L6 Y23L6-L15 HydrophobicContact CD2-CD2 3.61Å; L6-L15 HydrophobicContact CD2-CG 4.4Å; L15-Y23 HydrophobicContact CD1-CD1 4.21Å; L15-Y23 HydrophobicContact CD1-CG 4.3Å
16T92.4Very high86.8Confident24 Ų2485.2 Ų85.215%0.14745%0.448CS..  trans-77.5168.8161.162.80000109.2T4 L5 N7 S18 G19 Q20T4-T16 HydrophobicContact CG2-CG2 4.09Å; T4-T16 WeakPolarHBondContact O-CG2 3.25Å; T4-T16 PolarHBondContact O-OG1 3.14Å; L5-T16 VanDerWaalsContact C-OG1 3.29Å; L5-T16 WeakPolarHBondContact CA-OG1 3.43Å; L5-T16 PolarHBondContact O-N 3.11Å; L5-T16 PolarHBondContact O-OG1 3.2Å; N7-T16 WeakPolarHBondContact OD1-CG2 3.35Å; T16-S18 PolarHBondContact O-N 3.35Å; T16-S18 PolarHBondContact OG1-N 3.37Å; T16-G19 CarbonylContact O-C 3.5Å; T16-G19 WeakPolarHBondContact O-CA 3.5Å; T16-G19 PolarHBondContact O-N 3.08Å; T16-G19 PolarHBondContact OG1-N 2.86Å; T16-Q20 PolarHBondContact O-N 2.97Å
17E89.6Confident86.3Confident140 Ų14084.5 Ų84.565%0.65445%0.445SS*.Hα-helixtrans-55-40.4172.4-170.1-160.1139.500112.2Q20 R21E17-Q20 WeakPolarHBondContact O-CB 3.32Å; E17-Q20 PolarHBondContact O-N 3.12Å; E17-R21 PolarHBondContact O-N 2.9Å; E17-R21 VanDerWaalsContact O-N 3.08Å; E17-R21 IonicContact OE1-CZ 3.52Å; E17-R21 IonicContact OE1-NH1 2.84Å; E17-R21 PolarHBondContact OE1-NH1 2.93Å; E17-R21 IonicContact OE1-NH2 3.72Å
18S91.6Very high86.1Confident34 Ų3485.4 Ų85.424%0.23845%0.446CS..Hα-helixtrans-72.4-32.4175.8-65.60000112.5T3 T16 R21 C22T3-S18 WeakPolarHBondContact CG2-OG 3.46Å; T16-S18 PolarHBondContact O-N 3.35Å; T16-S18 PolarHBondContact OG1-N 3.37Å; S18-R21 PolarHBondContact OG-NH2 3.33Å; S18-R21 VanDerWaalsContact OG-NH2 3.16Å; S18-C22 VanDerWaalsContact O-CB 3.26Å; S18-C22 WeakPolarHBondContact O-CB 3.38Å; S18-C22 PolarHBondContact O-N 3.03Å
19G92.5Very high86.3Confident2 Ų281.1 Ų81.12%0.02144%0.437CS..Hα-helixtrans-61.3-44.5170.100000112L5 T16 C22 Y23L5-G19 VanDerWaalsContact O-CA 3.29Å; L5-G19 WeakPolarHBondContact O-CA 3.05Å; T16-G19 CarbonylContact O-C 3.5Å; T16-G19 WeakPolarHBondContact O-CA 3.5Å; T16-G19 PolarHBondContact O-N 3.08Å; T16-G19 PolarHBondContact OG1-N 2.86Å; G19-C22 PolarHBondContact O-N 3.14Å; G19-Y23 VanDerWaalsContact O-CB 3.22Å; G19-Y23 WeakPolarHBondContact O-CB 3.22Å; G19-Y23 PolarHBondContact O-N 2.96Å
20Q88Confident86.4Confident55 Ų5581.4 Ų81.426%0.25743%0.432SS..Hα-helixtrans-59.4-51.4176.5-17461.832.400110.6T16 E17 C22 Y23 E24T16-Q20 PolarHBondContact O-N 2.97Å; E17-Q20 WeakPolarHBondContact O-CB 3.32Å; E17-Q20 PolarHBondContact O-N 3.12Å; Q20-C22 PolarHBondContact O-N 3.32Å; Q20-Y23 WeakPolarHBondContact O-CB 3.49Å; Q20-Y23 PolarHBondContact O-N 3.35Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.32Å; Q20-E24 PolarHBondContact NE2-OE1 3.04Å; Q20-E24 WeakPolarHBondContact O-CG 3.39Å; Q20-E24 PolarHBondContact O-N 2.89Å
21R89.5Confident86.3Confident116 Ų11678.6 Ų78.644%0.43840%0.403SS..Hα-helixtrans-58.8-43.9174.9-70.2-168.1-66.1-123.2-7.1112.8E17 S18 Y23 H25E17-R21 PolarHBondContact O-N 2.9Å; E17-R21 VanDerWaalsContact O-N 3.08Å; E17-R21 IonicContact OE1-CZ 3.52Å; E17-R21 IonicContact OE1-NH1 2.84Å; E17-R21 PolarHBondContact OE1-NH1 2.93Å; E17-R21 IonicContact OE1-NH2 3.72Å; S18-R21 PolarHBondContact OG-NH2 3.33Å; S18-R21 VanDerWaalsContact OG-NH2 3.16Å; R21-Y23 VanDerWaalsContact C-N 3.32Å; R21-Y23 PolarHBondContact O-N 3.35Å; R21-H25 PolarHBondContact O-CD2 3.26Å; R21-H25 PolarHBondContact O-N 3.17Å
22C91.4Very high86.6Confident60 Ų6072.1 Ų72.141%0.40538%0.384SS..Hα-helixtrans-62.8-40.8178-1760000111.6L5 S18 G19 Q20 A26L5-C22 HydrophobicContact CD1-CB 4.16Å; L5-C22 HydrophobicContact CD2-CB 4Å; S18-C22 VanDerWaalsContact O-CB 3.26Å; S18-C22 WeakPolarHBondContact O-CB 3.38Å; S18-C22 PolarHBondContact O-N 3.03Å; G19-C22 PolarHBondContact O-N 3.14Å; Q20-C22 PolarHBondContact O-N 3.32Å; C22-A26 WeakPolarHBondContact O-CB 3.16Å; C22-A26 PolarHBondContact O-N 3.39Å
23Y84.8Confident86.8Confident92 Ų9277.2 Ų77.236%0.36139%0.392SS..Hα-helixtrans-66.7-46.4178.9169.8-108.6000111.6L15 G19 Q20 R21 A26 L27 Q261L15-Y23 HydrophobicContact CD1-CD1 4.21Å; L15-Y23 HydrophobicContact CD1-CG 4.3Å; G19-Y23 VanDerWaalsContact O-CB 3.22Å; G19-Y23 WeakPolarHBondContact O-CB 3.22Å; G19-Y23 PolarHBondContact O-N 2.96Å; Q20-Y23 WeakPolarHBondContact O-CB 3.49Å; Q20-Y23 PolarHBondContact O-N 3.35Å; R21-Y23 VanDerWaalsContact C-N 3.32Å; R21-Y23 PolarHBondContact O-N 3.35Å; Y23-A26 PolarHBondContact O-N 3.36Å; Y23-L27 HydrophobicContact CD1-CD1 4.39Å; Y23-L27 HydrophobicContact CD2-CD1 4.5Å; Y23-L27 HydrophobicContact CD2-CG 4.47Å; Y23-L27 HydrophobicContact CE1-CD1 3.81Å; Y23-L27 HydrophobicContact CE2-CD1 3.9Å; Y23-L27 HydrophobicContact CE2-CD2 4.44Å; Y23-L27 HydrophobicContact CE2-CG 4.08Å; Y23-L27 WeakPolarHBondContact O-CG 3.43Å; Y23-L27 PolarHBondContact O-N 3.01Å; Y23-Q261 PolarHBondContact OH-OE1 3.4Å; Y23-Q261 VanDerWaalsContact OH-OE1 3.05Å
24E83.2Confident86.3Confident66 Ų6674.7 Ų74.731%0.30837%0.374SS..Hα-helixtrans-57.2-52.1175.3-73165.6-177.500111.5Q20 A26 L27 E28Q20-E24 WeakPolarHBondContact CG-OE1 3.32Å; Q20-E24 PolarHBondContact NE2-OE1 3.04Å; Q20-E24 WeakPolarHBondContact O-CG 3.39Å; Q20-E24 PolarHBondContact O-N 2.89Å; E24-A26 PolarHBondContact O-N 3.24Å; E24-L27 PolarHBondContact O-N 2.88Å; E24-E28 WeakPolarHBondContact O-CG 3.43Å; E24-E28 PolarHBondContact O-N 2.87Å; E24-E28 VanDerWaalsContact O-N 3.09Å
25H89.7Confident86Confident105 Ų10577.9 Ų77.949%0.48638%0.376SS..Hα-helixtrans-67.6-33.6178.4-69.7-50.2000113.4R21 E28 I29R21-H25 PolarHBondContact O-CD2 3.26Å; R21-H25 PolarHBondContact O-N 3.17Å; H25-E28 IonicContact CE1-OE2 3.96Å; H25-E28 IonicContact ND1-OE2 3.07Å; H25-E28 PolarHBondContact ND1-OE2 3.46Å; H25-E28 VanDerWaalsContact ND1-OE2 3.07Å; H25-E28 PolarHBondContact O-N 3.36Å; H25-I29 VanDerWaalsContact O-CG1 3.25Å; H25-I29 WeakPolarHBondContact O-CG1 3.25Å; H25-I29 PolarHBondContact O-N 3.33Å
26A89.8Confident85.6Confident41 Ų4179.4 Ų79.434%0.33939%0.385SS..Hα-helixtrans-65.3-40.7175.400000111.5C22 Y23 E24 I29 L30C22-A26 WeakPolarHBondContact O-CB 3.16Å; C22-A26 PolarHBondContact O-N 3.39Å; Y23-A26 PolarHBondContact O-N 3.36Å; E24-A26 PolarHBondContact O-N 3.24Å; A26-I29 PolarHBondContact O-N 3.4Å; A26-L30 WeakPolarHBondContact O-CB 3.46Å; A26-L30 VanDerWaalsContact O-CG 3.27Å; A26-L30 WeakPolarHBondContact O-CG 3.42Å; A26-L30 PolarHBondContact O-N 3.11Å
27L81.8Confident84.8Confident60 Ų6080.4 Ų80.431%0.31439%0.391SS..Hα-helixtrans-62.5-42.2174-76.4178.1000112Y23 E24 L30 T31Y23-L27 HydrophobicContact CD1-CD1 4.39Å; Y23-L27 HydrophobicContact CD2-CD1 4.5Å; Y23-L27 HydrophobicContact CD2-CG 4.47Å; Y23-L27 HydrophobicContact CE1-CD1 3.81Å; Y23-L27 HydrophobicContact CE2-CD1 3.9Å; Y23-L27 HydrophobicContact CE2-CD2 4.44Å; Y23-L27 HydrophobicContact CE2-CG 4.08Å; Y23-L27 WeakPolarHBondContact O-CG 3.43Å; Y23-L27 PolarHBondContact O-N 3.01Å; E24-L27 PolarHBondContact O-N 2.88Å; L27-L30 PolarHBondContact O-N 3.33Å; L27-T31 WeakPolarHBondContact O-CB 3.32Å; L27-T31 PolarHBondContact O-N 3.19Å; L27-T31 PolarHBondContact O-OG1 2.79Å
28E83.3Confident83.8Confident110 Ų11075.1 Ų75.151%0.51437%0.367SS..Hα-helixtrans-59.4-50.4174-70.5174.7160.600111.1E24 H25 L30 T31 Q32E24-E28 WeakPolarHBondContact O-CG 3.43Å; E24-E28 PolarHBondContact O-N 2.87Å; E24-E28 VanDerWaalsContact O-N 3.09Å; H25-E28 IonicContact CE1-OE2 3.96Å; H25-E28 IonicContact ND1-OE2 3.07Å; H25-E28 PolarHBondContact ND1-OE2 3.46Å; H25-E28 VanDerWaalsContact ND1-OE2 3.07Å; H25-E28 PolarHBondContact O-N 3.36Å; E28-L30 PolarHBondContact O-N 2.92Å; E28-T31 WeakPolarHBondContact O-CB 3.47Å; E28-T31 PolarHBondContact O-N 2.92Å; E28-Q32 VanDerWaalsContact O-CG 3.32Å; E28-Q32 WeakPolarHBondContact O-CG 3.46Å; E28-Q32 PolarHBondContact O-N 2.82Å
29I89.6Confident83Confident116 Ų11679.5 Ų79.560%0.59539%0.387SS*.Hα-helixtrans-59-45.7179.3-69.9165000111.2H25 A26 T31 Q32 Y33H25-I29 VanDerWaalsContact O-CG1 3.25Å; H25-I29 WeakPolarHBondContact O-CG1 3.25Å; H25-I29 PolarHBondContact O-N 3.33Å; A26-I29 PolarHBondContact O-N 3.4Å; I29-T31 VanDerWaalsContact C-N 3.31Å; I29-T31 PolarHBondContact O-N 3.48Å; I29-Q32 PolarHBondContact O-N 3.44Å; I29-Y33 VanDerWaalsContact O-CB 3.3Å; I29-Y33 WeakPolarHBondContact O-CB 3.45Å; I29-Y33 PolarHBondContact O-N 3.25Å
30L84Confident82Confident82 Ų8284.4 Ų84.443%0.42942%0.417SS..Hα-helixtrans-63-39.5178.2-72.4171.8000111.7A26 L27 E28 Q34A26-L30 WeakPolarHBondContact O-CB 3.46Å; A26-L30 VanDerWaalsContact O-CG 3.27Å; A26-L30 WeakPolarHBondContact O-CG 3.42Å; A26-L30 PolarHBondContact O-N 3.11Å; L27-L30 PolarHBondContact O-N 3.33Å; E28-L30 PolarHBondContact O-N 2.92Å; L30-Q34 WeakPolarHBondContact O-CB 3.41Å; L30-Q34 PolarHBondContact O-N 3.48Å
31T79.6Confident81Confident57 Ų5784.8 Ų84.835%0.3542%0.423SS..Hα-helixtrans-65-44.2176.3-570000111.4L27 E28 I29 Q34 R35L27-T31 WeakPolarHBondContact O-CB 3.32Å; L27-T31 PolarHBondContact O-N 3.19Å; L27-T31 PolarHBondContact O-OG1 2.79Å; E28-T31 WeakPolarHBondContact O-CB 3.47Å; E28-T31 PolarHBondContact O-N 2.92Å; I29-T31 VanDerWaalsContact C-N 3.31Å; I29-T31 PolarHBondContact O-N 3.48Å; T31-Q34 PolarHBondContact O-N 3.36Å; T31-R35 WeakPolarHBondContact O-CG 3.44Å; T31-R35 PolarHBondContact O-N 3.17Å
32Q83.6Confident79.4Confident110 Ų11087.5 Ų87.551%0.51444%0.441SS..Hα-helixtrans-67.4-41177.2-64.9-59.2-23.500112.1E28 I29 Q34 R35 L36E28-Q32 VanDerWaalsContact O-CG 3.32Å; E28-Q32 WeakPolarHBondContact O-CG 3.46Å; E28-Q32 PolarHBondContact O-N 2.82Å; I29-Q32 PolarHBondContact O-N 3.44Å; Q32-Q34 VanDerWaalsContact C-N 3.32Å; Q32-Q34 PolarHBondContact O-N 3.19Å; Q32-R35 PolarHBondContact O-N 2.77Å; Q32-L36 PolarHBondContact O-N 2.89Å
33Y83.7Confident77.6Confident146 Ų14689.2 Ų89.257%0.57345%0.445SS*.Hα-helixtrans-60.4-43.1174.4176.8-100.3000111.1I29 L36 V37I29-Y33 VanDerWaalsContact O-CB 3.3Å; I29-Y33 WeakPolarHBondContact O-CB 3.45Å; I29-Y33 PolarHBondContact O-N 3.25Å; Y33-L36 WeakPolarHBondContact O-CB 3.36Å; Y33-L36 PolarHBondContact O-N 2.8Å; Y33-V37 HydrophobicContact CD1-CG2 4.24Å; Y33-V37 HydrophobicContact CE1-CG2 3.79Å; Y33-V37 HydrophobicContact CE2-CG2 4.27Å; Y33-V37 WeakPolarHBondContact O-CG2 3.36Å; Y33-V37 PolarHBondContact O-N 2.74Å
34Q74.4Confident76Confident42 Ų4293.4 Ų93.420%0.19647%0.465CS..Hα-helixtrans-64.4-42176.8-17159.553.300111.8L30 T31 Q32 L36 V37 D38L30-Q34 WeakPolarHBondContact O-CB 3.41Å; L30-Q34 PolarHBondContact O-N 3.48Å; T31-Q34 PolarHBondContact O-N 3.36Å; Q32-Q34 VanDerWaalsContact C-N 3.32Å; Q32-Q34 PolarHBondContact O-N 3.19Å; Q34-L36 VanDerWaalsContact C-N 3.32Å; Q34-L36 PolarHBondContact O-N 3.18Å; Q34-V37 PolarHBondContact O-N 3.09Å; Q34-V37 VanDerWaalsContact O-N 3.17Å; Q34-D38 PolarHBondContact NE2-OD1 3.36Å; Q34-D38 PolarHBondContact O-N 3.18Å
35R76.6Confident74.9Confident111 Ų11193.4 Ų93.442%0.41947%0.469SS..Hα-helixtrans-59.2-43.2173.2-73.1177.4-178.8172.21.1111.9T31 Q32 V37 D38 D39T31-R35 WeakPolarHBondContact O-CG 3.44Å; T31-R35 PolarHBondContact O-N 3.17Å; Q32-R35 PolarHBondContact O-N 2.77Å; R35-V37 VanDerWaalsContact C-N 3.33Å; R35-V37 PolarHBondContact O-N 3.4Å; R35-D38 PolarHBondContact O-N 2.96Å; R35-D39 WeakPolarHBondContact O-CB 3.46Å; R35-D39 PolarHBondContact O-N 3.44Å
36L79.5Confident74.3Confident99 Ų9995.1 Ų95.152%0.51847%0.471SS..Hα-helixtrans-60.2-43174.7176.968.8000111.6Q32 Y33 Q34 D39 V40Q32-L36 PolarHBondContact O-N 2.89Å; Y33-L36 WeakPolarHBondContact O-CB 3.36Å; Y33-L36 PolarHBondContact O-N 2.8Å; Q34-L36 VanDerWaalsContact C-N 3.32Å; Q34-L36 PolarHBondContact O-N 3.18Å; L36-D39 PolarHBondContact O-N 2.86Å; L36-V40 HydrophobicContact CD1-CG2 3.71Å; L36-V40 HydrophobicContact CG-CG2 4.15Å; L36-V40 VanDerWaalsContact O-CB 3.26Å; L36-V40 WeakPolarHBondContact O-CB 3.46Å; L36-V40 WeakPolarHBondContact O-CG2 3.34Å; L36-V40 PolarHBondContact O-N 3.47Å
37V75.6Confident74Confident45 Ų4593.6 Ų93.627%0.27346%0.458SS..Hα-helixtrans-62.9-45.7175.91710000110.7Y33 Q34 R35 D39 T41Y33-V37 HydrophobicContact CD1-CG2 4.24Å; Y33-V37 HydrophobicContact CE1-CG2 3.79Å; Y33-V37 HydrophobicContact CE2-CG2 4.27Å; Y33-V37 WeakPolarHBondContact O-CG2 3.36Å; Y33-V37 PolarHBondContact O-N 2.74Å; Q34-V37 PolarHBondContact O-N 3.09Å; Q34-V37 VanDerWaalsContact O-N 3.17Å; R35-V37 VanDerWaalsContact C-N 3.33Å; R35-V37 PolarHBondContact O-N 3.4Å; V37-D39 VanDerWaalsContact C-N 3.33Å; V37-D39 PolarHBondContact O-N 3Å; V37-T41 HydrophobicContact CG1-CG2 4.14Å; V37-T41 VanDerWaalsContact O-CB 3.31Å; V37-T41 WeakPolarHBondContact O-CB 3.32Å; V37-T41 WeakPolarHBondContact O-CG2 3.34Å; V37-T41 PolarHBondContact O-N 3.21Å; V37-T41 PolarHBondContact O-OG1 3.49Å
38D68.3Low74.5Confident29 Ų2997.3 Ų97.316%0.15547%0.474CS..Hα-helixtrans-60.5-43.1177.3-61.6-14.3000110.9Q34 R35 T41 R239Q34-D38 PolarHBondContact NE2-OD1 3.36Å; Q34-D38 PolarHBondContact O-N 3.18Å; R35-D38 PolarHBondContact O-N 2.96Å; D38-T41 PolarHBondContact O-OG1 2.96Å; D38-R239 IonicContact OD2-CZ 3.86Å; D38-R239 IonicContact OD2-NH1 2.93Å; D38-R239 IonicContact OD2-NH2 3.8Å; D38-R239 PolarHBondContact OD2-NH2 3.4Å
39D73.3Confident75Confident125 Ų12593.4 Ų93.467%0.66846%0.464SS*.Hα-helixtrans-68.4-47.5179.6-73-17000112.3R35 L36 V37 Q42R35-D39 WeakPolarHBondContact O-CB 3.46Å; R35-D39 PolarHBondContact O-N 3.44Å; L36-D39 PolarHBondContact O-N 2.86Å; V37-D39 VanDerWaalsContact C-N 3.33Å; V37-D39 PolarHBondContact O-N 3Å; D39-Q42 PolarHBondContact O-N 3.5Å
40V72.9Confident75.4Confident106 Ų10690.8 Ų90.864%0.64245%0.449SS*.Hα-helixtrans-71.2-38.2-175.5169.20000111.6L36 Q42L36-V40 HydrophobicContact CD1-CG2 3.71Å; L36-V40 HydrophobicContact CG-CG2 4.15Å; L36-V40 VanDerWaalsContact O-CB 3.26Å; L36-V40 WeakPolarHBondContact O-CB 3.46Å; L36-V40 WeakPolarHBondContact O-CG2 3.34Å; L36-V40 PolarHBondContact O-N 3.47Å; V40-Q42 PolarHBondContact O-N 3.36Å
41T66.2Low76Confident63 Ų6386.9 Ų86.939%0.38743%0.429SS..Hα-helixtrans-70.8-14.1-176.4580000112.5V37 D38 I43V37-T41 HydrophobicContact CG1-CG2 4.14Å; V37-T41 VanDerWaalsContact O-CB 3.31Å; V37-T41 WeakPolarHBondContact O-CB 3.32Å; V37-T41 WeakPolarHBondContact O-CG2 3.34Å; V37-T41 PolarHBondContact O-N 3.21Å; V37-T41 PolarHBondContact O-OG1 3.49Å; D38-T41 PolarHBondContact O-OG1 2.96Å; T41-I43 HydrophobicContact CG2-CD1 4.12Å; T41-I43 PolarHBondContact O-N 3.2Å
42Q55.8Low76.9Confident173 Ų17387.9 Ų87.981%0.80843%0.426SS*.  trans45.714.5-167.2-73.4-169.4-3.800113.1D39 V40 K44D39-Q42 PolarHBondContact O-N 3.5Å; V40-Q42 PolarHBondContact O-N 3.36Å; Q42-K44 PolarHBondContact O-N 2.93Å
43I53.6Low77.6Confident95 Ų9582.7 Ų82.749%0.48740%0.402SS..  trans-70.994.2170.9-59.2165.9000101.5T41 T45T41-I43 HydrophobicContact CG2-CD1 4.12Å; T41-I43 PolarHBondContact O-N 3.2Å; I43-T45 HydrophobicContact CB-CG2 4.35Å; I43-T45 HydrophobicContact CG2-CG2 3.2Å; I43-T45 PolarHBondContact O-N 3.03Å; I43-T45 PolarHBondContact O-OG1 2.7Å; I43-T45 VanDerWaalsContact O-OG1 3.09Å
44K51.9Low78.3Confident181 Ų18175.7 Ų75.779%0.78738%0.375SS*.  trans-58.468.5151.7-67.9-177.9180179.30106.1Q42 R46Q42-K44 PolarHBondContact O-N 2.93Å; K44-R46 PolarHBondContact O-N 2.83Å
45T60.2Low79.4Confident65 Ų6573.7 Ų73.740%0.39937%0.365SS..  trans-71.979.9166210000101.2I43 M236I43-T45 HydrophobicContact CB-CG2 4.35Å; I43-T45 HydrophobicContact CG2-CG2 3.2Å; I43-T45 PolarHBondContact O-N 3.03Å; I43-T45 PolarHBondContact O-OG1 2.7Å; I43-T45 VanDerWaalsContact O-OG1 3.09Å; T45-M236 VanDerWaalsContact CB-SD 3.53Å; T45-M236 WeakPolarHBondContact OG1-CE 3.47Å; T45-M236 PolarHBondContact OG1-SD 2.93Å
46R75.9Confident80.3Confident141 Ų14169 Ų6953%0.53235%0.35SS..  trans-59.4126.5165.6-72.2179.8170.5-172.2-2.8104.2K44 E48 E77K44-R46 PolarHBondContact O-N 2.83Å; R46-E48 PolarHBondContact O-N 3.47Å; R46-E77 WeakPolarHBondContact CD-OE1 3.11Å; R46-E77 IonicContact CZ-OE1 3.53Å; R46-E77 IonicContact NE-OE1 3.62Å; R46-E77 IonicContact NH1-OE1 2.69Å; R46-E77 PolarHBondContact NH1-OE1 3.44Å
47P85.4Confident80.9Confident10 Ų1068.9 Ų68.97%0.06535%0.345CS..  trans-56.3123.3177.426.5-35.8000107.1Y75 L78 M236 K237 V240P47-Y75 HydrophobicContact CG-CD1 3.23Å; P47-Y75 HydrophobicContact CG-CE1 3.83Å; P47-Y75 HydrophobicContact CG-CG 3.74Å; P47-L78 HydrophobicContact CB-CD1 4.3Å; P47-L78 HydrophobicContact CB-CD2 3.94Å; P47-L78 HydrophobicContact CB-CG 4.17Å; P47-L78 HydrophobicContact CG-CD1 4.31Å; P47-L78 HydrophobicContact CG-CG 4.35Å; P47-L78 WeakPolarHBondContact O-CD2 2.99Å; P47-L78 WeakPolarHBondContact O-CG 3.38Å; P47-M236 HydrophobicContact CB-CG 4.42Å; P47-K237 HydrophobicContact CB-CB 4.43Å; P47-V240 HydrophobicContact CB-CB 4.41Å; P47-V240 HydrophobicContact CB-CG2 4.29Å; P47-V240 HydrophobicContact CG-CB 4.27Å; P47-V240 HydrophobicContact CG-CG1 4.11Å; P47-V240 HydrophobicContact CG-CG2 4.08Å
48E91.1Very high81.8Confident137 Ų13767.5 Ų67.564%0.6434%0.34SS*.  trans-130161.1-175.466.8171-173.600111.6R46 E77R46-E48 PolarHBondContact O-N 3.47Å; E48-E77 WeakPolarHBondContact CA-O 3.15Å; E48-E77 HydrophobicContact CB-CB 4.03Å
49G94.3Very high83.1Confident29 Ų2966.1 Ų66.130%0.29933%0.333SS..EExtended strand (participates in β ladder)trans87.6-176.517600000114.1E77 Q79G49-E77 PolarHBondContact N-O 3.46Å; G49-E77 VanDerWaalsContact N-O 3.16Å; G49-Q79 PolarHBondContact O-N 3.07Å
50M97.2Very high84.2Confident60 Ų6060.2 Ų60.230%0.29630%0.301SS..EExtended strand (participates in β ladder)trans-78.9131-173.6-177.561.873.200112.1R52 Q79 H81 K237M50-R52 HydrophobicContact CG-CG 4.32Å; M50-Q79 CarbonylContact C-O 3.58Å; M50-Q79 VanDerWaalsContact CA-O 3.3Å; M50-Q79 WeakPolarHBondContact CA-O 3.18Å; M50-Q79 HydrophobicContact CB-CB 4.45Å; M50-Q79 HydrophobicContact CE-CB 3.66Å; M50-Q79 HydrophobicContact SD-CB 3.94Å; M50-H81 HydrophobicContact CE-CB 4.49Å; M50-H81 HydrophobicContact SD-CB 3.69Å; M50-H81 PolarHBondContact SD-N 2.88Å; M50-H81 VanDerWaalsContact SD-N 3.39Å; M50-K237 PolarHBondContact O-NZ 3.38Å
51I97.6Very high85.3Confident0 Ų062 Ų620%030%0.296CS..EExtended strand (participates in β ladder)trans-119.5133.3162.5-169.4174.8000109.9I53 Q79 V80 H81 D97 L98 L238 C241I51-I53 HydrophobicContact CG1-CG1 4.37Å; I51-I53 HydrophobicContact CG2-CD1 4.44Å; I51-I53 HydrophobicContact CG2-CG1 4.45Å; I51-Q79 PolarHBondContact N-O 3.29Å; I51-V80 HydrophobicContact CG2-CB 4.48Å; I51-V80 HydrophobicContact CG2-CG2 3.87Å; I51-V80 WeakPolarHBondContact O-CA 3.11Å; I51-H81 PolarHBondContact O-N 3.18Å; I51-D97 WeakPolarHBondContact CA-OD2 3.42Å; I51-D97 HydrophobicContact CG1-CB 3.88Å; I51-L98 HydrophobicContact CD1-CB 4.41Å; I51-L238 HydrophobicContact CD1-CD1 4.16Å; I51-C241 HydrophobicContact CD1-CB 3.68Å; I51-C241 WeakPolarHBondContact CD1-SG 3.48Å
52R98.6Very high86.7Confident79 Ų7961.7 Ų61.730%0.29830%0.297SS..EExtended strand (participates in β ladder)trans-100.9115.3178-58.6-170.5167.378.3-0.6110M50 H81 N95 I96 D97 L98M50-R52 HydrophobicContact CG-CG 4.32Å; R52-H81 CarbonylContact C-O 3.59Å; R52-H81 WeakPolarHBondContact CA-O 3.26Å; R52-H81 HydrophobicContact CG-CB 4.09Å; R52-N95 WeakPolarHBondContact CB-O 3.34Å; R52-N95 WeakPolarHBondContact CD-O 3.32Å; R52-N95 PolarHBondContact NE-ND2 3.03Å; R52-I96 HydrophobicContact CB-CD1 4.13Å; R52-D97 PolarHBondContact N-OD2 2.94Å; R52-D97 PolarHBondContact O-N 3.44Å; R52-L98 PolarHBondContact O-N 2.74Å; R52-L98 VanDerWaalsContact O-N 3.09Å
53I98.6Very high88.7Confident0 Ų054.9 Ų54.90%027%0.265CS..EExtended strand (participates in β ladder)trans-108.5126.7-177.6-57.7178.5000109.4I51 I64 I68 V80 H81 F82 E83 L98 I100I51-I53 HydrophobicContact CG1-CG1 4.37Å; I51-I53 HydrophobicContact CG2-CD1 4.44Å; I51-I53 HydrophobicContact CG2-CG1 4.45Å; I53-I64 HydrophobicContact CG2-CG2 4.38Å; I53-I68 HydrophobicContact CD1-CD1 4.18Å; I53-I68 HydrophobicContact CD1-CG1 4.22Å; I53-V80 HydrophobicContact CD1-CG1 3.88Å; I53-V80 HydrophobicContact CG1-CG1 4.26Å; I53-H81 PolarHBondContact N-O 2.95Å; I53-F82 HydrophobicContact CB-CD2 3.95Å; I53-F82 HydrophobicContact CG2-CD2 3.86Å; I53-F82 HydrophobicContact CG2-CE2 3.99Å; I53-F82 WeakPolarHBondContact O-CA 3.38Å; I53-F82 VanDerWaalsContact O-CD2 3.3Å; I53-F82 WeakPolarHBondContact O-CD2 3.21Å; I53-E83 PolarHBondContact O-N 3.11Å; I53-L98 CarbonylContact C-O 3.51Å; I53-L98 WeakPolarHBondContact CA-O 3.38Å; I53-L98 HydrophobicContact CG1-CB 4.39Å; I53-L98 HydrophobicContact CG1-CD2 4.45Å; I53-I100 HydrophobicContact CG2-CG1 4.21Å
54G98.2Very high90.8Very high0 Ų050.3 Ų50.30%024%0.242CC..EExtended strand (participates in β ladder)trans-103.5147172.400000112.2E83 L98 I100G54-E83 CarbonylContact C-O 3.41Å; G54-E83 WeakPolarHBondContact CA-O 3.12Å; G54-L98 PolarHBondContact N-O 3.41Å; G54-I100 PolarHBondContact O-N 2.88Å
55C97.4Very high93Very high0 Ų043.3 Ų43.30%022%0.217CC..EExtended strand (participates in β ladder)trans-156.1170.4171.1-165.20000112.3G60 F82 E83 L84 F85 I100C55-G60 PolarHBondContact SG-N 2.95Å; C55-F82 HydrophobicContact CB-CE2 3.7Å; C55-F82 HydrophobicContact CB-CZ 3.87Å; C55-E83 PolarHBondContact N-O 3.12Å; C55-L84 HydrophobicContact CB-CD2 4.08Å; C55-L84 CarbonylContact O-C 3.57Å; C55-L84 VanDerWaalsContact O-CA 3.32Å; C55-L84 WeakPolarHBondContact O-CA 3.43Å; C55-F85 PolarHBondContact O-N 3.16Å; C55-I100 HydrophobicContact CB-CB 4.15Å
56S94.5Very high94.8Very high13 Ų1342.7 Ų42.79%0.09122%0.215CC..EExtended strand (participates in β ladder)trans-76.1152.9166.664.70000111.5G58 G60S56-G58 PolarHBondContact O-N 2.9Å; S56-G60 WeakPolarHBondContact O-CA 3.33Å; S56-G60 PolarHBondContact O-N 3Å
57F93.4Very high95.9Very high95 Ų9536 Ų3642%0.41719%0.189SC..Hα-helixtrans-53.4-55.1-173.1-76.6-80.8000114.6R61 L84 D86F57-R61 WeakPolarHBondContact O-CB 3.42Å; F57-R61 PolarHBondContact O-N 2.83Å; F57-L84 HydrophobicContact CD1-CB 3.65Å; F57-L84 HydrophobicContact CD1-CD1 3.8Å; F57-L84 HydrophobicContact CD1-CG 4.36Å; F57-L84 HydrophobicContact CE1-CB 3.63Å; F57-L84 HydrophobicContact CE1-CD1 4.3Å; F57-L84 HydrophobicContact CG-CB 4.17Å; F57-L84 HydrophobicContact CZ-CB 4.13Å; F57-D86 HydrophobicContact CD2-CB 4.13Å; F57-D86 HydrophobicContact CE2-CB 3.68Å
58G93Very high96.5Very high17 Ų1736.1 Ų36.118%0.17519%0.189CC..Hα-helixtrans-63.5-53.3-173.900000112.6S56 R61 S62S56-G58 PolarHBondContact O-N 2.9Å; G58-R61 PolarHBondContact O-N 2.77Å; G58-S62 WeakPolarHBondContact O-CB 3.25Å; G58-S62 PolarHBondContact O-N 3.02Å; G58-S62 PolarHBondContact O-OG 2.66Å
59F95.8Very high96.8Very high0 Ų033.8 Ų33.80%018%0.184CC..Hα-helixtrans-70.3-36.7-178.5-168.5-109.6000112.3R61 S62 H63 I64 I100 I102 W200 I224 L253F59-R61 VanDerWaalsContact C-N 3.35Å; F59-R61 PolarHBondContact O-N 2.7Å; F59-S62 PolarHBondContact O-N 2.96Å; F59-H63 HydrophobicContact CD2-CB 4.03Å; F59-H63 AromaticContact CD2-CD2 3.43Å; F59-H63 VanDerWaalsContact CD2-CD2 3.43Å; F59-H63 WeakPolarHBondContact CD2-CD2 3.49Å; F59-H63 AromaticContact CD2-CG 3.95Å; F59-H63 HydrophobicContact CE1-CB 4.3Å; F59-H63 HydrophobicContact CE2-CB 3.71Å; F59-H63 AromaticContact CE2-CD2 3.44Å; F59-H63 VanDerWaalsContact CE2-CD2 3.44Å; F59-H63 WeakPolarHBondContact CE2-CD2 3.46Å; F59-H63 AromaticContact CE2-CG 3.61Å; F59-H63 HydrophobicContact CG-CB 4.43Å; F59-H63 HydrophobicContact CZ-CB 3.84Å; F59-H63 PolarHBondContact O-N 2.89Å; F59-I64 HydrophobicContact CD1-CD1 4.21Å; F59-I64 HydrophobicContact CD1-CG1 3.8Å; F59-I64 HydrophobicContact CE1-CD1 3.68Å; F59-I64 HydrophobicContact CE1-CG1 3.81Å; F59-I64 HydrophobicContact CZ-CD1 4.47Å; F59-I64 PolarHBondContact O-N 3.31Å; F59-I100 HydrophobicContact CD1-CG2 3.97Å; F59-I100 HydrophobicContact CE1-CG2 3.75Å; F59-I102 HydrophobicContact CB-CD1 3.33Å; F59-I102 HydrophobicContact CD1-CD1 3.92Å; F59-I102 HydrophobicContact CD2-CD1 4.05Å; F59-I102 HydrophobicContact CG-CD1 3.51Å; F59-W200 HydrophobicContact CB-CH2 3.99Å; F59-W200 HydrophobicContact CB-CZ2 3.73Å; F59-W200 HydrophobicContact CD2-CD2 4.07Å; F59-W200 AromaticContact CD2-CE2 3.65Å; F59-W200 HydrophobicContact CD2-CE3 4.45Å; F59-W200 HydrophobicContact CD2-CH2 4.27Å; F59-W200 AromaticContact CD2-CZ2 3.78Å; F59-W200 HydrophobicContact CD2-CZ2 3.78Å; F59-W200 AromaticContact CD2-NE1 3.88Å; F59-W200 HydrophobicContact CG-CZ2 4.24Å; F59-I224 HydrophobicContact CD2-CD1 4.33Å; F59-I224 HydrophobicContact CE1-CD1 4.36Å; F59-I224 HydrophobicContact CE1-CG2 3.64Å; F59-I224 HydrophobicContact CE2-CD1 3.56Å; F59-I224 HydrophobicContact CZ-CD1 3.6Å; F59-I224 HydrophobicContact CZ-CG1 4.29Å; F59-I224 HydrophobicContact CZ-CG2 3.81Å; F59-L253 HydrophobicContact CE2-CD1 3.67Å; F59-L253 HydrophobicContact CZ-CD1 3.95Å
60G97.1Very high96.9Very high0 Ų035 Ų350%018%0.182CC..Iπ-helixtrans-59-45.8176.300000112.1C55 S56 I64 A65C55-G60 PolarHBondContact SG-N 2.95Å; S56-G60 WeakPolarHBondContact O-CA 3.33Å; S56-G60 PolarHBondContact O-N 3Å; G60-I64 PolarHBondContact O-N 3.22Å; G60-A65 WeakPolarHBondContact O-CB 3.3Å; G60-A65 PolarHBondContact O-N 2.79Å
61R96Very high96.9Very high144 Ų14432.1 Ų32.154%0.54317%0.168SC..Iπ-helixtrans-68.3-48.4176.7-168179.691.4-169.72.1112.4F57 G58 F59 P66 E182F57-R61 WeakPolarHBondContact O-CB 3.42Å; F57-R61 PolarHBondContact O-N 2.83Å; G58-R61 PolarHBondContact O-N 2.77Å; F59-R61 VanDerWaalsContact C-N 3.35Å; F59-R61 PolarHBondContact O-N 2.7Å; R61-P66 WeakPolarHBondContact O-CD 3.4Å; R61-E182 IonicContact CZ-OE1 3.71Å; R61-E182 VanDerWaalsContact CZ-OE1 3.22Å; R61-E182 IonicContact CZ-OE2 2.65Å; R61-E182 VanDerWaalsContact NH1-CD 3.32Å; R61-E182 IonicContact NH1-OE1 2.83Å; R61-E182 PolarHBondContact NH1-OE1 3.44Å; R61-E182 IonicContact NH1-OE2 3.09Å; R61-E182 PolarHBondContact NH1-OE2 3.48Å; R61-E182 IonicContact NH2-OE1 2.71Å; R61-E182 PolarHBondContact NH2-OE1 3.47Å
62S95.3Very high96.8Very high56 Ų5635.9 Ų35.939%0.39219%0.187SC..Iπ-helixtrans-81.5-31.2-169-61.70000114.1G58 F59G58-S62 WeakPolarHBondContact O-CB 3.25Å; G58-S62 PolarHBondContact O-N 3.02Å; G58-S62 PolarHBondContact O-OG 2.66Å; F59-S62 PolarHBondContact O-N 2.96Å
63H97.2Very high96.6Very high30 Ų3039.5 Ų39.514%0.13920%0.2CC..Iπ-helixtrans-120.5-43.7-173.3-68.2-78.1000114F59 A67 W200 W248F59-H63 HydrophobicContact CD2-CB 4.03Å; F59-H63 AromaticContact CD2-CD2 3.43Å; F59-H63 VanDerWaalsContact CD2-CD2 3.43Å; F59-H63 WeakPolarHBondContact CD2-CD2 3.49Å; F59-H63 AromaticContact CD2-CG 3.95Å; F59-H63 HydrophobicContact CE1-CB 4.3Å; F59-H63 HydrophobicContact CE2-CB 3.71Å; F59-H63 AromaticContact CE2-CD2 3.44Å; F59-H63 VanDerWaalsContact CE2-CD2 3.44Å; F59-H63 WeakPolarHBondContact CE2-CD2 3.46Å; F59-H63 AromaticContact CE2-CG 3.61Å; F59-H63 HydrophobicContact CG-CB 4.43Å; F59-H63 HydrophobicContact CZ-CB 3.84Å; F59-H63 PolarHBondContact O-N 2.89Å; H63-A67 WeakPolarHBondContact O-CB 3.45Å; H63-A67 PolarHBondContact O-N 2.98Å; H63-W200 AromaticContact CD2-CE3 3.94Å; H63-W200 AromaticContact NE2-CE3 3.63Å; H63-W248 PolarHBondContact O-NE1 3.45Å
64I98.4Very high96.2Very high0 Ų043.7 Ų43.70%022%0.223CC..Iπ-helixtrans-82.6-42.5-171.9-56.9-56.3000112.8I53 F59 G60 A67 I68 F82 I100 L245I53-I64 HydrophobicContact CG2-CG2 4.38Å; F59-I64 HydrophobicContact CD1-CD1 4.21Å; F59-I64 HydrophobicContact CD1-CG1 3.8Å; F59-I64 HydrophobicContact CE1-CD1 3.68Å; F59-I64 HydrophobicContact CE1-CG1 3.81Å; F59-I64 HydrophobicContact CZ-CD1 4.47Å; F59-I64 PolarHBondContact O-N 3.31Å; G60-I64 PolarHBondContact O-N 3.22Å; I64-A67 CarbonylContact O-C 3.59Å; I64-A67 WeakPolarHBondContact O-CA 3.35Å; I64-A67 WeakPolarHBondContact O-CB 3.26Å; I64-A67 PolarHBondContact O-N 2.79Å; I64-I68 HydrophobicContact CG2-CD1 3.77Å; I64-I68 HydrophobicContact CG2-CG1 4.18Å; I64-I68 WeakPolarHBondContact O-CG1 3.36Å; I64-I68 PolarHBondContact O-N 2.89Å; I64-F82 HydrophobicContact CB-CE2 4.36Å; I64-F82 HydrophobicContact CB-CZ 3.93Å; I64-F82 HydrophobicContact CG2-CD2 4.46Å; I64-F82 HydrophobicContact CG2-CE2 3.72Å; I64-F82 HydrophobicContact CG2-CZ 3.75Å; I64-I100 HydrophobicContact CD1-CG1 4.24Å; I64-I100 HydrophobicContact CD1-CG2 4.01Å; I64-I100 HydrophobicContact CG1-CB 4.46Å; I64-I100 HydrophobicContact CG1-CG1 4.33Å; I64-I100 HydrophobicContact CG1-CG2 4.15Å; I64-L245 HydrophobicContact CD1-CD2 4.17Å; I64-L245 HydrophobicContact CG2-CD2 4.49Å
65A98.4Very high96Very high34 Ų3447.3 Ų47.328%0.28124%0.237SC..Hα-helixtrans-59-44.4176.400000112.9G60 A67 I68 T69 F82G60-A65 WeakPolarHBondContact O-CB 3.3Å; G60-A65 PolarHBondContact O-N 2.79Å; A65-A67 VanDerWaalsContact C-N 3.33Å; A65-A67 PolarHBondContact O-N 2.88Å; A65-I68 PolarHBondContact O-N 2.76Å; A65-T69 PolarHBondContact O-N 3.08Å; A65-T69 VanDerWaalsContact O-N 3.16Å; A65-T69 PolarHBondContact O-OG1 3.5Å; A65-T69 VanDerWaalsContact O-OG1 3.08Å; A65-F82 HydrophobicContact CB-CD1 4.38Å; A65-F82 HydrophobicContact CB-CE1 4Å
66P98.1Very high95.8Very high52 Ų5251.8 Ų51.834%0.33827%0.266SS..Hα-helixtrans-60.1-39.6170.2-27.937.7000113.5R61 T69 E70 W248R61-P66 WeakPolarHBondContact O-CD 3.4Å; P66-T69 PolarHBondContact O-N 2.91Å; P66-E70 PolarHBondContact O-N 3.44Å; P66-W248 HydrophobicContact CB-CH2 4.3Å; P66-W248 HydrophobicContact CB-CZ2 3.73Å
67A98.2Very high95.8Very high0 Ų054.9 Ų54.90%028%0.279CS..Hα-helixtrans-63-44.9177.300000111.7H63 I64 A65 T69 E70 L71 F244 L245 W248H63-A67 WeakPolarHBondContact O-CB 3.45Å; H63-A67 PolarHBondContact O-N 2.98Å; I64-A67 CarbonylContact O-C 3.59Å; I64-A67 WeakPolarHBondContact O-CA 3.35Å; I64-A67 WeakPolarHBondContact O-CB 3.26Å; I64-A67 PolarHBondContact O-N 2.79Å; A65-A67 VanDerWaalsContact C-N 3.33Å; A65-A67 PolarHBondContact O-N 2.88Å; A67-T69 VanDerWaalsContact C-N 3.25Å; A67-T69 PolarHBondContact O-N 2.73Å; A67-E70 PolarHBondContact O-N 3.25Å; A67-E70 VanDerWaalsContact O-N 3.13Å; A67-L71 WeakPolarHBondContact O-CB 3.13Å; A67-L71 PolarHBondContact O-N 2.65Å; A67-F244 HydrophobicContact CB-CE1 4.38Å; A67-F244 WeakPolarHBondContact O-CE1 3.47Å; A67-L245 HydrophobicContact CB-CD2 3.48Å; A67-L245 VanDerWaalsContact CB-CD2 3.48Å; A67-W248 HydrophobicContact CB-CB 4.25Å; A67-W248 VanDerWaalsContact CB-CD1 3.48Å; A67-W248 HydrophobicContact CB-CD2 3.6Å; A67-W248 HydrophobicContact CB-CE3 4.31Å; A67-W248 HydrophobicContact CB-CG 3.53Å; A67-W248 HydrophobicContact CB-CZ2 4.34Å
68I98.4Very high95.9Very high13 Ų1350.5 Ų50.57%0.06726%0.26CS..Hα-helixtrans-58.2-40.7177-71.6166.9000110.6I53 I64 A65 E70 L71 M72 V80 F82I53-I68 HydrophobicContact CD1-CD1 4.18Å; I53-I68 HydrophobicContact CD1-CG1 4.22Å; I64-I68 HydrophobicContact CG2-CD1 3.77Å; I64-I68 HydrophobicContact CG2-CG1 4.18Å; I64-I68 WeakPolarHBondContact O-CG1 3.36Å; I64-I68 PolarHBondContact O-N 2.89Å; A65-I68 PolarHBondContact O-N 2.76Å; I68-E70 VanDerWaalsContact C-N 3.33Å; I68-E70 PolarHBondContact O-N 2.84Å; I68-L71 WeakPolarHBondContact O-CB 3.26Å; I68-L71 PolarHBondContact O-N 3.41Å; I68-M72 HydrophobicContact CG2-CG 4.35Å; I68-M72 HydrophobicContact CG2-SD 4.07Å; I68-M72 VanDerWaalsContact O-CG 3.31Å; I68-M72 WeakPolarHBondContact O-CG 3.46Å; I68-M72 PolarHBondContact O-N 2.88Å; I68-V80 HydrophobicContact CD1-CG1 4Å; I68-V80 HydrophobicContact CG1-CG1 4.3Å; I68-V80 HydrophobicContact CG2-CB 4.02Å; I68-V80 HydrophobicContact CG2-CG1 3.82Å; I68-V80 HydrophobicContact CG2-CG2 4.15Å; I68-F82 HydrophobicContact CD1-CB 3.87Å; I68-F82 HydrophobicContact CD1-CD1 3.96Å; I68-F82 HydrophobicContact CD1-CD2 3.7Å; I68-F82 HydrophobicContact CD1-CE1 4.42Å; I68-F82 HydrophobicContact CD1-CE2 4.21Å; I68-F82 HydrophobicContact CD1-CG 3.57Å
69T97Very high96.1Very high87 Ų8755.3 Ų55.353%0.53428%0.278SS..Hα-helixtrans-64.4-36.3178.5-54.10000112.4A65 P66 A67 R73A65-T69 PolarHBondContact O-N 3.08Å; A65-T69 VanDerWaalsContact O-N 3.16Å; A65-T69 PolarHBondContact O-OG1 3.5Å; A65-T69 VanDerWaalsContact O-OG1 3.08Å; P66-T69 PolarHBondContact O-N 2.91Å; A67-T69 VanDerWaalsContact C-N 3.25Å; A67-T69 PolarHBondContact O-N 2.73Å; T69-R73 PolarHBondContact O-N 3.28Å
70E97.1Very high96.2Very high54 Ų5456.7 Ų56.725%0.25229%0.286SS..Hα-helixtrans-74.9-39.1173.7-17375.7-119.100111.9P66 A67 I68 M72 R73 N74 F244 W248P66-E70 PolarHBondContact O-N 3.44Å; A67-E70 PolarHBondContact O-N 3.25Å; A67-E70 VanDerWaalsContact O-N 3.13Å; I68-E70 VanDerWaalsContact C-N 3.33Å; I68-E70 PolarHBondContact O-N 2.84Å; E70-M72 VanDerWaalsContact C-N 3.33Å; E70-M72 PolarHBondContact O-N 2.84Å; E70-R73 WeakPolarHBondContact O-CB 3.35Å; E70-R73 PolarHBondContact O-N 2.81Å; E70-R73 VanDerWaalsContact O-N 3.17Å; E70-R73 IonicContact OE1-CZ 3.05Å; E70-R73 VanDerWaalsContact OE1-CZ 3.24Å; E70-R73 IonicContact OE1-NE 3.73Å; E70-R73 IonicContact OE1-NH1 2.97Å; E70-R73 PolarHBondContact OE1-NH1 3.05Å; E70-R73 IonicContact OE1-NH2 3.29Å; E70-R73 IonicContact OE2-CZ 2.85Å; E70-R73 IonicContact OE2-NH1 3.78Å; E70-R73 PolarHBondContact OE2-NH1 3.23Å; E70-R73 IonicContact OE2-NH2 2.87Å; E70-R73 PolarHBondContact OE2-NH2 3.44Å; E70-N74 PolarHBondContact O-N 2.95Å; E70-N74 PolarHBondContact O-ND2 3.44Å; E70-F244 HydrophobicContact CB-CE1 4.26Å; E70-F244 HydrophobicContact CB-CZ 3.72Å; E70-F244 HydrophobicContact CG-CE2 4.28Å; E70-F244 HydrophobicContact CG-CZ 3.55Å; E70-W248 HydrophobicContact CB-CE3 4.36Å; E70-W248 HydrophobicContact CB-CH2 4.4Å; E70-W248 HydrophobicContact CB-CZ3 3.72Å; E70-W248 HydrophobicContact CG-CZ3 3.97Å
71L96.2Very high96.3Very high0 Ų060.3 Ų60.30%030%0.303CS..Hα-helixtrans-55.5-48.6173.917675.8000110.9A67 I68 R73 N74 Y75 L78 V240 C241 F244A67-L71 WeakPolarHBondContact O-CB 3.13Å; A67-L71 PolarHBondContact O-N 2.65Å; I68-L71 WeakPolarHBondContact O-CB 3.26Å; I68-L71 PolarHBondContact O-N 3.41Å; L71-R73 PolarHBondContact O-N 3.3Å; L71-N74 PolarHBondContact O-N 3.01Å; L71-Y75 HydrophobicContact CD1-CD2 3.57Å; L71-Y75 HydrophobicContact CD1-CE2 3.92Å; L71-Y75 HydrophobicContact CG-CD2 4.28Å; L71-Y75 WeakPolarHBondContact O-CD2 3.11Å; L71-Y75 PolarHBondContact O-N 2.87Å; L71-L78 HydrophobicContact CD2-CD1 4.41Å; L71-L78 HydrophobicContact CG-CD1 4.49Å; L71-V240 HydrophobicContact CD1-CG1 4.17Å; L71-C241 HydrophobicContact CD2-CB 4.49Å; L71-F244 HydrophobicContact CB-CD1 3.74Å; L71-F244 HydrophobicContact CB-CE1 3.81Å; L71-F244 HydrophobicContact CB-CG 4.17Å; L71-F244 HydrophobicContact CB-CZ 4.28Å; L71-F244 HydrophobicContact CD1-CB 3.59Å; L71-F244 HydrophobicContact CD1-CD1 3.86Å; L71-F244 HydrophobicContact CD1-CD2 3.96Å; L71-F244 HydrophobicContact CD1-CG 3.49Å; L71-F244 VanDerWaalsContact CD1-CG 3.49Å; L71-F244 HydrophobicContact CG-CD1 4.36Å; L71-F244 HydrophobicContact CG-CG 4.43Å
72M95.6Very high96.4Very high80 Ų8056.2 Ų56.239%0.39429%0.289SS..Hα-helixtrans-65.9-25.6-179-70.9-177.17400113.2I68 E70 Y75 P76 V80I68-M72 HydrophobicContact CG2-CG 4.35Å; I68-M72 HydrophobicContact CG2-SD 4.07Å; I68-M72 VanDerWaalsContact O-CG 3.31Å; I68-M72 WeakPolarHBondContact O-CG 3.46Å; I68-M72 PolarHBondContact O-N 2.88Å; E70-M72 VanDerWaalsContact C-N 3.33Å; E70-M72 PolarHBondContact O-N 2.84Å; M72-Y75 CarbonylContact O-C 3.44Å; M72-P76 WeakPolarHBondContact O-CA 3.29Å; M72-V80 HydrophobicContact CG-CG2 4.25Å; M72-V80 HydrophobicContact SD-CB 4.48Å; M72-V80 HydrophobicContact SD-CG2 4.38Å
73R94.2Very high96.5Very high154 Ų15457.3 Ų57.358%0.58129%0.288SS*.Hα-helixtrans-68.5-36.3171-80.9-175.1-84.8145.3-7.6112.1T69 E70 L71T69-R73 PolarHBondContact O-N 3.28Å; E70-R73 WeakPolarHBondContact O-CB 3.35Å; E70-R73 PolarHBondContact O-N 2.81Å; E70-R73 VanDerWaalsContact O-N 3.17Å; E70-R73 IonicContact OE1-CZ 3.05Å; E70-R73 VanDerWaalsContact OE1-CZ 3.24Å; E70-R73 IonicContact OE1-NE 3.73Å; E70-R73 IonicContact OE1-NH1 2.97Å; E70-R73 PolarHBondContact OE1-NH1 3.05Å; E70-R73 IonicContact OE1-NH2 3.29Å; E70-R73 IonicContact OE2-CZ 2.85Å; E70-R73 IonicContact OE2-NH1 3.78Å; E70-R73 PolarHBondContact OE2-NH1 3.23Å; E70-R73 IonicContact OE2-NH2 2.87Å; E70-R73 PolarHBondContact OE2-NH2 3.44Å; L71-R73 PolarHBondContact O-N 3.3Å
74N91.8Very high96.5Very high89 Ų8958.4 Ų58.448%0.47630%0.295SS..Hα-helixtrans-80.9-27.7178.6-65-36.6000112.7E70 L71 F244E70-N74 PolarHBondContact O-N 2.95Å; E70-N74 PolarHBondContact O-ND2 3.44Å; L71-N74 PolarHBondContact O-N 3.01Å; N74-F244 WeakPolarHBondContact ND2-CE2 3.32Å
75Y93.8Very high96.3Very high75 Ų7558.9 Ų58.929%0.29430%0.297SS..  trans-134.273.4-175.6-55.3-73.8000111.4P47 L71 M72 E77 L78 V240P47-Y75 HydrophobicContact CG-CD1 3.23Å; P47-Y75 HydrophobicContact CG-CE1 3.83Å; P47-Y75 HydrophobicContact CG-CG 3.74Å; L71-Y75 HydrophobicContact CD1-CD2 3.57Å; L71-Y75 HydrophobicContact CD1-CE2 3.92Å; L71-Y75 HydrophobicContact CG-CD2 4.28Å; L71-Y75 WeakPolarHBondContact O-CD2 3.11Å; L71-Y75 PolarHBondContact O-N 2.87Å; M72-Y75 CarbonylContact O-C 3.44Å; Y75-E77 PolarHBondContact O-N 3.04Å; Y75-E77 VanDerWaalsContact O-N 3.16Å; Y75-L78 HydrophobicContact CG-CD1 4.39Å; Y75-L78 WeakPolarHBondContact O-CB 3.37Å; Y75-L78 PolarHBondContact O-N 3.03Å; Y75-L78 VanDerWaalsContact O-N 3.17Å; Y75-V240 HydrophobicContact CD1-CG1 4.13Å; Y75-V240 HydrophobicContact CD2-CG1 3.58Å; Y75-V240 HydrophobicContact CE1-CG1 3.78Å; Y75-V240 HydrophobicContact CE2-CG1 3.19Å; Y75-V240 HydrophobicContact CG-CG1 4.02Å
76P92.8Very high95.9Very high95 Ų9560.2 Ų60.262%0.61730%0.299SS*.THydrogen-bonded Turntrans-68.7-13-173.227-36.2000114.8M72 L78M72-P76 WeakPolarHBondContact O-CA 3.29Å; P76-L78 VanDerWaalsContact C-N 3.34Å
77E93.8Very high95.5Very high77 Ų7763 Ų6336%0.3630%0.303SS..THydrogen-bonded Turntrans-86.1-8.2178-67.3170.5-139.200112.4R46 E48 G49 Y75R46-E77 WeakPolarHBondContact CD-OE1 3.11Å; R46-E77 IonicContact CZ-OE1 3.53Å; R46-E77 IonicContact NE-OE1 3.62Å; R46-E77 IonicContact NH1-OE1 2.69Å; R46-E77 PolarHBondContact NH1-OE1 3.44Å; E48-E77 WeakPolarHBondContact CA-O 3.15Å; E48-E77 HydrophobicContact CB-CB 4.03Å; G49-E77 PolarHBondContact N-O 3.46Å; G49-E77 VanDerWaalsContact N-O 3.16Å; Y75-E77 PolarHBondContact O-N 3.04Å; Y75-E77 VanDerWaalsContact O-N 3.16Å
78L95.9Very high95.1Very high4 Ų468.4 Ų68.42%0.02133%0.328CS..EExtended strand (participates in β ladder)trans-76.9142.9169.9-73.2179.8000111.5P47 L71 Y75 P76 K237P47-L78 HydrophobicContact CB-CD1 4.3Å; P47-L78 HydrophobicContact CB-CD2 3.94Å; P47-L78 HydrophobicContact CB-CG 4.17Å; P47-L78 HydrophobicContact CG-CD1 4.31Å; P47-L78 HydrophobicContact CG-CG 4.35Å; P47-L78 WeakPolarHBondContact O-CD2 2.99Å; P47-L78 WeakPolarHBondContact O-CG 3.38Å; L71-L78 HydrophobicContact CD2-CD1 4.41Å; L71-L78 HydrophobicContact CG-CD1 4.49Å; Y75-L78 HydrophobicContact CG-CD1 4.39Å; Y75-L78 WeakPolarHBondContact O-CB 3.37Å; Y75-L78 PolarHBondContact O-N 3.03Å; Y75-L78 VanDerWaalsContact O-N 3.17Å; P76-L78 VanDerWaalsContact C-N 3.34Å; L78-K237 HydrophobicContact CD2-CB 3.69Å
79Q97.7Very high94.8Very high118 Ų11868.2 Ų68.255%0.55133%0.327SS*.EExtended strand (participates in β ladder)trans-110.9133.5163-60.3178.316.600108G49 M50 I51G49-Q79 PolarHBondContact O-N 3.07Å; M50-Q79 CarbonylContact C-O 3.58Å; M50-Q79 VanDerWaalsContact CA-O 3.3Å; M50-Q79 WeakPolarHBondContact CA-O 3.18Å; M50-Q79 HydrophobicContact CB-CB 4.45Å; M50-Q79 HydrophobicContact CE-CB 3.66Å; M50-Q79 HydrophobicContact SD-CB 3.94Å; I51-Q79 PolarHBondContact N-O 3.29Å
80V98.2Very high94.6Very high29 Ų2965.8 Ų65.818%0.17631%0.311CS..EExtended strand (participates in β ladder)trans-117.3121.4179.4-178.40000109.2I51 I53 I68 M72 F82I51-V80 HydrophobicContact CG2-CB 4.48Å; I51-V80 HydrophobicContact CG2-CG2 3.87Å; I51-V80 WeakPolarHBondContact O-CA 3.11Å; I53-V80 HydrophobicContact CD1-CG1 3.88Å; I53-V80 HydrophobicContact CG1-CG1 4.26Å; I68-V80 HydrophobicContact CD1-CG1 4Å; I68-V80 HydrophobicContact CG1-CG1 4.3Å; I68-V80 HydrophobicContact CG2-CB 4.02Å; I68-V80 HydrophobicContact CG2-CG1 3.82Å; I68-V80 HydrophobicContact CG2-CG2 4.15Å; M72-V80 HydrophobicContact CG-CG2 4.25Å; M72-V80 HydrophobicContact SD-CB 4.48Å; M72-V80 HydrophobicContact SD-CG2 4.38Å; V80-F82 HydrophobicContact CG1-CB 4.39Å
81H98.3Very high94.6Very high76 Ų7663.3 Ų63.335%0.35230%0.3SS..EExtended strand (participates in β ladder)trans-97.8114.1163.5174.681.7000107.2M50 I51 R52 I53 E83M50-H81 HydrophobicContact CE-CB 4.49Å; M50-H81 HydrophobicContact SD-CB 3.69Å; M50-H81 PolarHBondContact SD-N 2.88Å; M50-H81 VanDerWaalsContact SD-N 3.39Å; I51-H81 PolarHBondContact O-N 3.18Å; R52-H81 CarbonylContact C-O 3.59Å; R52-H81 WeakPolarHBondContact CA-O 3.26Å; R52-H81 HydrophobicContact CG-CB 4.09Å; I53-H81 PolarHBondContact N-O 2.95Å; H81-E83 IonicContact CD2-OE2 3.24Å; H81-E83 IonicContact CE1-OE2 2.88Å; H81-E83 IonicContact NE2-OE2 2.6Å; H81-E83 PolarHBondContact NE2-OE2 3.03Å
82F98.5Very high94.5Very high58 Ų5867.1 Ų67.125%0.25432%0.323SS..EExtended strand (participates in β ladder)trans-110.5123.6-178.2-176.6-134000110.5I53 C55 I64 A65 I68 V80 L84I53-F82 HydrophobicContact CB-CD2 3.95Å; I53-F82 HydrophobicContact CG2-CD2 3.86Å; I53-F82 HydrophobicContact CG2-CE2 3.99Å; I53-F82 WeakPolarHBondContact O-CA 3.38Å; I53-F82 VanDerWaalsContact O-CD2 3.3Å; I53-F82 WeakPolarHBondContact O-CD2 3.21Å; C55-F82 HydrophobicContact CB-CE2 3.7Å; C55-F82 HydrophobicContact CB-CZ 3.87Å; I64-F82 HydrophobicContact CB-CE2 4.36Å; I64-F82 HydrophobicContact CB-CZ 3.93Å; I64-F82 HydrophobicContact CG2-CD2 4.46Å; I64-F82 HydrophobicContact CG2-CE2 3.72Å; I64-F82 HydrophobicContact CG2-CZ 3.75Å; A65-F82 HydrophobicContact CB-CD1 4.38Å; A65-F82 HydrophobicContact CB-CE1 4Å; I68-F82 HydrophobicContact CD1-CB 3.87Å; I68-F82 HydrophobicContact CD1-CD1 3.96Å; I68-F82 HydrophobicContact CD1-CD2 3.7Å; I68-F82 HydrophobicContact CD1-CE1 4.42Å; I68-F82 HydrophobicContact CD1-CE2 4.21Å; I68-F82 HydrophobicContact CD1-CG 3.57Å; V80-F82 HydrophobicContact CG1-CB 4.39Å; F82-L84 HydrophobicContact CE1-CD2 3.74Å; F82-L84 HydrophobicContact CE1-CG 4.39Å; F82-L84 HydrophobicContact CE2-CD2 4.08Å; F82-L84 HydrophobicContact CZ-CD2 3.41Å; F82-L84 VanDerWaalsContact CZ-CD2 3.41Å; F82-L84 HydrophobicContact CZ-CG 4.45Å
83E97.8Very high94.5Very high78 Ų7871.3 Ų71.336%0.36434%0.341SS..EExtended strand (participates in β ladder)trans-128.1140.4-175.5-164.7163.8163.600111.3I53 G54 C55 H81 F85I53-E83 PolarHBondContact O-N 3.11Å; G54-E83 CarbonylContact C-O 3.41Å; G54-E83 WeakPolarHBondContact CA-O 3.12Å; C55-E83 PolarHBondContact N-O 3.12Å; H81-E83 IonicContact CD2-OE2 3.24Å; H81-E83 IonicContact CE1-OE2 2.88Å; H81-E83 IonicContact NE2-OE2 2.6Å; H81-E83 PolarHBondContact NE2-OE2 3.03Å; E83-F85 HydrophobicContact CB-CE2 3.81Å; E83-F85 HydrophobicContact CB-CZ 3.84Å; E83-F85 HydrophobicContact CG-CE1 3.95Å; E83-F85 HydrophobicContact CG-CE2 3.86Å; E83-F85 HydrophobicContact CG-CZ 3.49Å; E83-F85 VanDerWaalsContact CG-CZ 3.49Å; E83-F85 WeakPolarHBondContact OE1-CE1 3.09Å
84L96.5Very high94.7Very high53 Ų5365.8 Ų65.828%0.27732%0.323SS..EExtended strand (participates in β ladder)trans-110.8136.6-177.9-60.1176.6000109.8C55 F57 F82C55-L84 HydrophobicContact CB-CD2 4.08Å; C55-L84 CarbonylContact O-C 3.57Å; C55-L84 VanDerWaalsContact O-CA 3.32Å; C55-L84 WeakPolarHBondContact O-CA 3.43Å; F57-L84 HydrophobicContact CD1-CB 3.65Å; F57-L84 HydrophobicContact CD1-CD1 3.8Å; F57-L84 HydrophobicContact CD1-CG 4.36Å; F57-L84 HydrophobicContact CE1-CB 3.63Å; F57-L84 HydrophobicContact CE1-CD1 4.3Å; F57-L84 HydrophobicContact CG-CB 4.17Å; F57-L84 HydrophobicContact CZ-CB 4.13Å; F82-L84 HydrophobicContact CE1-CD2 3.74Å; F82-L84 HydrophobicContact CE1-CG 4.39Å; F82-L84 HydrophobicContact CE2-CD2 4.08Å; F82-L84 HydrophobicContact CZ-CD2 3.41Å; F82-L84 VanDerWaalsContact CZ-CD2 3.41Å; F82-L84 HydrophobicContact CZ-CG 4.45Å
85F94.5Very high94.9Very high11 Ų1165.7 Ų65.75%0.04832%0.323CS..EExtended strand (participates in β ladder)trans-127.7137.9-175.2-57.9-83.7000111.3C55 E83 I89 I96C55-F85 PolarHBondContact O-N 3.16Å; E83-F85 HydrophobicContact CB-CE2 3.81Å; E83-F85 HydrophobicContact CB-CZ 3.84Å; E83-F85 HydrophobicContact CG-CE1 3.95Å; E83-F85 HydrophobicContact CG-CE2 3.86Å; E83-F85 HydrophobicContact CG-CZ 3.49Å; E83-F85 VanDerWaalsContact CG-CZ 3.49Å; E83-F85 WeakPolarHBondContact OE1-CE1 3.09Å; F85-I89 HydrophobicContact CB-CG2 3.96Å; F85-I89 HydrophobicContact CD1-CG2 3.34Å; F85-I89 HydrophobicContact CD2-CD1 4.15Å; F85-I89 HydrophobicContact CD2-CG2 3.89Å; F85-I89 HydrophobicContact CE1-CG2 3.68Å; F85-I89 HydrophobicContact CE2-CD1 3.95Å; F85-I89 HydrophobicContact CE2-CG2 4.19Å; F85-I89 HydrophobicContact CG-CG2 3.45Å; F85-I89 VanDerWaalsContact CG-CG2 3.45Å; F85-I89 HydrophobicContact CZ-CD1 4.42Å; F85-I89 HydrophobicContact CZ-CG2 4.08Å; F85-I96 HydrophobicContact CE2-CD1 4.03Å; F85-I96 HydrophobicContact CE2-CG1 4.07Å; F85-I96 HydrophobicContact CZ-CD1 3.99Å; F85-I96 HydrophobicContact CZ-CG1 4.04Å
86D89.8Confident95.1Very high62 Ų6262.4 Ų62.433%0.33231%0.31SS..SBendtrans-97.9-4.1168.858.4-9.3000112.6F57 R152 N179F57-D86 HydrophobicContact CD2-CB 4.13Å; F57-D86 HydrophobicContact CE2-CB 3.68Å; D86-R152 VanDerWaalsContact O-CA 3.26Å; D86-R152 WeakPolarHBondContact O-CA 3.38Å; D86-R152 PolarHBondContact O-N 3.45Å; D86-N179 HydrophobicContact CB-CB 4.46Å; D86-N179 PolarHBondContact OD2-ND2 2.94Å
87R90.4Very high95.3Very high111 Ų11160.3 Ų60.342%0.41929%0.294SS..SBendtrans-119.7162.3177.763.3165.5178.1841.5111.7D94 R152R87-D94 IonicContact CZ-OD1 3.9Å; R87-D94 IonicContact CZ-OD2 3Å; R87-D94 IonicContact NH1-OD1 3.59Å; R87-D94 PolarHBondContact NH1-OD1 3.23Å; R87-D94 IonicContact NH1-OD2 2.64Å; R87-D94 PolarHBondContact NH1-OD2 3.14Å; R87-D94 IonicContact NH2-OD1 3.82Å; R87-D94 PolarHBondContact NH2-OD1 2.99Å; R87-D94 IonicContact NH2-OD2 3.42Å; R87-R152 VanDerWaalsContact C-CG 3.44Å; R87-R152 WeakPolarHBondContact O-CD 3.44Å; R87-R152 VanDerWaalsContact O-CG 3.23Å; R87-R152 WeakPolarHBondContact O-CG 3.23Å; R87-R152 PolarHBondContact O-NE 3.05Å
88Q88.4Confident95.6Very high112 Ų11256.7 Ų56.752%0.52328%0.277SS..  trans-62140.5166.6-61.9-169.1-12.700109.9R152Q88-R152 HydrophobicContact CG-CG 4.32Å; Q88-R152 WeakPolarHBondContact CG-O 3.1Å
89I92.7Very high95.7Very high9 Ų956.5 Ų56.55%0.04628%0.276CS..  trans-116.5150.8176.360.4155.4000110.5F85 L91 D94 I96 D99 R101F85-I89 HydrophobicContact CB-CG2 3.96Å; F85-I89 HydrophobicContact CD1-CG2 3.34Å; F85-I89 HydrophobicContact CD2-CD1 4.15Å; F85-I89 HydrophobicContact CD2-CG2 3.89Å; F85-I89 HydrophobicContact CE1-CG2 3.68Å; F85-I89 HydrophobicContact CE2-CD1 3.95Å; F85-I89 HydrophobicContact CE2-CG2 4.19Å; F85-I89 HydrophobicContact CG-CG2 3.45Å; F85-I89 VanDerWaalsContact CG-CG2 3.45Å; F85-I89 HydrophobicContact CZ-CD1 4.42Å; F85-I89 HydrophobicContact CZ-CG2 4.08Å; I89-L91 HydrophobicContact CD1-CD2 3.95Å; I89-D94 WeakPolarHBondContact CA-OD2 3.5Å; I89-D94 HydrophobicContact CB-CB 4.03Å; I89-D94 WeakPolarHBondContact CB-OD2 3.39Å; I89-D94 HydrophobicContact CG2-CB 4.31Å; I89-I96 HydrophobicContact CD1-CB 3.97Å; I89-I96 HydrophobicContact CD1-CG1 3.67Å; I89-I96 HydrophobicContact CD1-CG2 4.1Å; I89-D99 HydrophobicContact CD1-CB 4.36Å; I89-R101 PolarHBondContact O-NH2 2.96Å
90D93.7Very high95.7Very high36 Ų3650.9 Ų50.919%0.19325%0.25CC..  trans-100.8125164.5179.3-86.8000108.5V92 Q93 D94 Y110D90-V92 PolarHBondContact O-N 3Å; D90-V92 VanDerWaalsContact O-N 3.08Å; D90-V92 WeakPolarHBondContact OD1-CA 3.48Å; D90-V92 VanDerWaalsContact OD1-CB 3.26Å; D90-V92 WeakPolarHBondContact OD1-CB 3.43Å; D90-V92 PolarHBondContact OD1-N 3.47Å; D90-Q93 HydrophobicContact CB-CB 4.13Å; D90-Q93 HydrophobicContact CB-CG 4.21Å; D90-Q93 PolarHBondContact O-N 2.87Å; D90-Q93 PolarHBondContact OD1-N 2.83Å; D90-D94 PolarHBondContact N-OD2 3.4Å; D90-D94 VanDerWaalsContact O-CB 3.23Å; D90-D94 WeakPolarHBondContact O-CB 3.32Å; D90-D94 PolarHBondContact O-N 3.05Å; D90-Y110 PolarHBondContact OD2-OH 3.41Å
91L96.3Very high95.5Very high3 Ų349.9 Ų49.92%0.01624%0.243CC..THydrogen-bonded Turntrans-61.4-25.2-172.7-59.9-169.9000112.9I89 N95 I96 D99 Y110 V227 R229I89-L91 HydrophobicContact CD1-CD2 3.95Å; L91-N95 PolarHBondContact O-N 3.03Å; L91-I96 WeakPolarHBondContact CB-O 3.5Å; L91-I96 HydrophobicContact CD2-CB 4.03Å; L91-I96 HydrophobicContact CD2-CG2 3.92Å; L91-I96 PolarHBondContact O-N 3.45Å; L91-D99 HydrophobicContact CD2-CB 3.44Å; L91-D99 VanDerWaalsContact CD2-CB 3.44Å; L91-Y110 HydrophobicContact CB-CE1 3.77Å; L91-Y110 HydrophobicContact CD1-CD1 3.71Å; L91-Y110 HydrophobicContact CD1-CE1 3.6Å; L91-Y110 HydrophobicContact CD1-CG 4.36Å; L91-Y110 HydrophobicContact CG-CD1 4.2Å; L91-Y110 HydrophobicContact CG-CE1 3.58Å; L91-Y110 HydrophobicContact CG-CE2 4.43Å; L91-Y110 PolarHBondContact N-OH 3.18Å; L91-V227 HydrophobicContact CD1-CG1 4.39Å; L91-R229 HydrophobicContact CB-CG 4.14Å; L91-R229 HydrophobicContact CD1-CG 4.06Å
92V94.7Very high95.4Very high79 Ų7946.5 Ų46.548%0.47923%0.227SC..THydrogen-bonded Turntrans-81.6-54.9177.4-165.70000110.6D90 D94 N95 R229D90-V92 PolarHBondContact O-N 3Å; D90-V92 VanDerWaalsContact O-N 3.08Å; D90-V92 WeakPolarHBondContact OD1-CA 3.48Å; D90-V92 VanDerWaalsContact OD1-CB 3.26Å; D90-V92 WeakPolarHBondContact OD1-CB 3.43Å; D90-V92 PolarHBondContact OD1-N 3.47Å; V92-D94 VanDerWaalsContact C-N 3.3Å; V92-D94 PolarHBondContact O-N 3.04Å; V92-N95 PolarHBondContact O-N 3.22Å; V92-R229 VanDerWaalsContact CG2-CZ 3.46Å
93Q95.9Very high95Very high168 Ų16844.5 Ų44.579%0.78522%0.219SC*.THydrogen-bonded Turntrans-66.2-36.9-174.6-61.8-178.60.500111.7D90 N95D90-Q93 HydrophobicContact CB-CB 4.13Å; D90-Q93 HydrophobicContact CB-CG 4.21Å; D90-Q93 PolarHBondContact O-N 2.87Å; D90-Q93 PolarHBondContact OD1-N 2.83Å; Q93-N95 VanDerWaalsContact C-N 3.32Å
94D96.4Very high94.7Very high38 Ų3842.4 Ų42.420%0.20321%0.211CC..THydrogen-bonded Turntrans-89.51.3179.7-63.1-60.8000112.8R87 I89 D90 V92 I96R87-D94 IonicContact CZ-OD1 3.9Å; R87-D94 IonicContact CZ-OD2 3Å; R87-D94 IonicContact NH1-OD1 3.59Å; R87-D94 PolarHBondContact NH1-OD1 3.23Å; R87-D94 IonicContact NH1-OD2 2.64Å; R87-D94 PolarHBondContact NH1-OD2 3.14Å; R87-D94 IonicContact NH2-OD1 3.82Å; R87-D94 PolarHBondContact NH2-OD1 2.99Å; R87-D94 IonicContact NH2-OD2 3.42Å; I89-D94 WeakPolarHBondContact CA-OD2 3.5Å; I89-D94 HydrophobicContact CB-CB 4.03Å; I89-D94 WeakPolarHBondContact CB-OD2 3.39Å; I89-D94 HydrophobicContact CG2-CB 4.31Å; D90-D94 PolarHBondContact N-OD2 3.4Å; D90-D94 VanDerWaalsContact O-CB 3.23Å; D90-D94 WeakPolarHBondContact O-CB 3.32Å; D90-D94 PolarHBondContact O-N 3.05Å; V92-D94 VanDerWaalsContact C-N 3.3Å; V92-D94 PolarHBondContact O-N 3.04Å; D94-I96 HydrophobicContact CB-CG1 4.3Å; D94-I96 PolarHBondContact O-N 3.29Å
95N96.8Very high94.4Very high88 Ų8845.8 Ų45.847%0.47123%0.225SC..THydrogen-bonded Turntrans53.650.4176.8-17133.3000112.3R52 L91 V92 Q93R52-N95 WeakPolarHBondContact CB-O 3.34Å; R52-N95 WeakPolarHBondContact CD-O 3.32Å; R52-N95 PolarHBondContact NE-ND2 3.03Å; L91-N95 PolarHBondContact O-N 3.03Å; V92-N95 PolarHBondContact O-N 3.22Å; Q93-N95 VanDerWaalsContact C-N 3.32Å
96I98.1Very high94.3Very high5 Ų545.9 Ų45.93%0.02623%0.226CC..  trans-113128.3179.3-63.9-56.7000109.5R52 F85 I89 L91 D94 L98 D99R52-I96 HydrophobicContact CB-CD1 4.13Å; F85-I96 HydrophobicContact CE2-CD1 4.03Å; F85-I96 HydrophobicContact CE2-CG1 4.07Å; F85-I96 HydrophobicContact CZ-CD1 3.99Å; F85-I96 HydrophobicContact CZ-CG1 4.04Å; I89-I96 HydrophobicContact CD1-CB 3.97Å; I89-I96 HydrophobicContact CD1-CG1 3.67Å; I89-I96 HydrophobicContact CD1-CG2 4.1Å; L91-I96 WeakPolarHBondContact CB-O 3.5Å; L91-I96 HydrophobicContact CD2-CB 4.03Å; L91-I96 HydrophobicContact CD2-CG2 3.92Å; L91-I96 PolarHBondContact O-N 3.45Å; D94-I96 HydrophobicContact CB-CG1 4.3Å; D94-I96 PolarHBondContact O-N 3.29Å; I96-L98 VanDerWaalsContact CG2-O 3.25Å; I96-L98 WeakPolarHBondContact CG2-O 3.43Å; I96-D99 HydrophobicContact CG2-CB 4.09Å
97D97.9Very high94.3Very high52 Ų5245 Ų4528%0.27822%0.223SC..SBendtrans-83.3-39179.5-62.6-57.2000111.6I51 R52 Y228I51-D97 WeakPolarHBondContact CA-OD2 3.42Å; I51-D97 HydrophobicContact CG1-CB 3.88Å; R52-D97 PolarHBondContact N-OD2 2.94Å; R52-D97 PolarHBondContact O-N 3.44Å; D97-Y228 WeakPolarHBondContact O-CB 3.37Å
98L98.4Very high94.3Very high0 Ų046 Ų460%024%0.237CC..EExtended strand (participates in β ladder)trans-137.9126.9-176.9173.357.9000110.2I51 R52 I53 G54 I96 I100 A226 Y228 L238 C241 V242 L245I51-L98 HydrophobicContact CD1-CB 4.41Å; R52-L98 PolarHBondContact O-N 2.74Å; R52-L98 VanDerWaalsContact O-N 3.09Å; I53-L98 CarbonylContact C-O 3.51Å; I53-L98 WeakPolarHBondContact CA-O 3.38Å; I53-L98 HydrophobicContact CG1-CB 4.39Å; I53-L98 HydrophobicContact CG1-CD2 4.45Å; G54-L98 PolarHBondContact N-O 3.41Å; I96-L98 VanDerWaalsContact CG2-O 3.25Å; I96-L98 WeakPolarHBondContact CG2-O 3.43Å; L98-I100 HydrophobicContact CD1-CD1 4.16Å; L98-I100 HydrophobicContact CD2-CD1 4.29Å; L98-I100 HydrophobicContact CG-CD1 4.05Å; L98-A226 HydrophobicContact CD1-CB 3.73Å; L98-Y228 HydrophobicContact CD1-CD1 4.14Å; L98-L238 HydrophobicContact CB-CD1 3.73Å; L98-L238 HydrophobicContact CD1-CD1 4.34Å; L98-L238 HydrophobicContact CD2-CD1 4.4Å; L98-L238 HydrophobicContact CG-CD1 4.37Å; L98-C241 HydrophobicContact CD2-CB 3.96Å; L98-V242 HydrophobicContact CD1-CG2 3.7Å; L98-V242 HydrophobicContact CD2-CG2 3.9Å; L98-V242 HydrophobicContact CG-CG2 4.44Å; L98-L245 HydrophobicContact CD2-CD1 3.89Å
99D98.1Very high94.3Very high0 Ų048.1 Ų48.10%024%0.242CC..EExtended strand (participates in β ladder)trans-122.5126.6-178.9176.637000111.1I89 L91 I96 R101 R152 V227I89-D99 HydrophobicContact CD1-CB 4.36Å; L91-D99 HydrophobicContact CD2-CB 3.44Å; L91-D99 VanDerWaalsContact CD2-CB 3.44Å; I96-D99 HydrophobicContact CG2-CB 4.09Å; D99-R101 PolarHBondContact O-N 3.34Å; D99-R101 WeakPolarHBondContact OD2-CG 3.04Å; D99-R101 IonicContact OD2-CZ 3.25Å; D99-R101 VanDerWaalsContact OD2-CZ 3.27Å; D99-R101 IonicContact OD2-NE 3.57Å; D99-R101 PolarHBondContact OD2-NE 3.08Å; D99-R101 IonicContact OD2-NH2 2.65Å; D99-R101 PolarHBondContact OD2-NH2 2.93Å; D99-R101 VanDerWaalsContact OD2-NH2 3.09Å; D99-R152 VanDerWaalsContact CG-NH2 3.25Å; D99-R152 IonicContact OD1-CZ 2.98Å; D99-R152 IonicContact OD1-NH1 3.37Å; D99-R152 PolarHBondContact OD1-NH1 3.32Å; D99-R152 IonicContact OD1-NH2 2.73Å; D99-R152 PolarHBondContact OD1-NH2 3.08Å; D99-R152 IonicContact OD2-CZ 2.7Å; D99-R152 IonicContact OD2-NH1 3.89Å; D99-R152 IonicContact OD2-NH2 3.22Å; D99-R152 PolarHBondContact OD2-NH2 3.16Å; D99-V227 HydrophobicContact CB-CB 4.46Å; D99-V227 PolarHBondContact N-O 3.16Å; D99-V227 PolarHBondContact O-N 3.32Å
100I97.8Very high94.4Very high1 Ų148.5 Ų48.51%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-95.499.1-179.6-50.3-55.5000108.3I53 G54 C55 F59 I64 L98 L115 I224 W225 A226 L245I53-I100 HydrophobicContact CG2-CG1 4.21Å; G54-I100 PolarHBondContact O-N 2.88Å; C55-I100 HydrophobicContact CB-CB 4.15Å; F59-I100 HydrophobicContact CD1-CG2 3.97Å; F59-I100 HydrophobicContact CE1-CG2 3.75Å; I64-I100 HydrophobicContact CD1-CG1 4.24Å; I64-I100 HydrophobicContact CD1-CG2 4.01Å; I64-I100 HydrophobicContact CG1-CB 4.46Å; I64-I100 HydrophobicContact CG1-CG1 4.33Å; I64-I100 HydrophobicContact CG1-CG2 4.15Å; L98-I100 HydrophobicContact CD1-CD1 4.16Å; L98-I100 HydrophobicContact CD2-CD1 4.29Å; L98-I100 HydrophobicContact CG-CD1 4.05Å; I100-L115 HydrophobicContact CD1-CD1 3.99Å; I100-L115 HydrophobicContact CG2-CD1 4.22Å; I100-I224 HydrophobicContact CG2-CG2 4.03Å; I100-W225 CarbonylContact C-O 3.59Å; I100-W225 WeakPolarHBondContact CA-O 3.35Å; I100-A226 HydrophobicContact CD1-CB 4.33Å; I100-L245 HydrophobicContact CD1-CD1 3.64Å; I100-L245 HydrophobicContact CG1-CD1 4.23Å
101R95.4Very high94.5Very high7 Ų749.2 Ų49.23%0.02625%0.246CC..EExtended strand (participates in β ladder)trans-97.2147-174.6-64.1-161.6-179.1-141-12.8112.2I89 D99 I224 W225 V227I89-R101 PolarHBondContact O-NH2 2.96Å; D99-R101 PolarHBondContact O-N 3.34Å; D99-R101 WeakPolarHBondContact OD2-CG 3.04Å; D99-R101 IonicContact OD2-CZ 3.25Å; D99-R101 VanDerWaalsContact OD2-CZ 3.27Å; D99-R101 IonicContact OD2-NE 3.57Å; D99-R101 PolarHBondContact OD2-NE 3.08Å; D99-R101 IonicContact OD2-NH2 2.65Å; D99-R101 PolarHBondContact OD2-NH2 2.93Å; D99-R101 VanDerWaalsContact OD2-NH2 3.09Å; R101-I224 CarbonylContact O-C 3.58Å; R101-I224 WeakPolarHBondContact O-CA 3.12Å; R101-W225 PolarHBondContact N-O 2.93Å; R101-W225 PolarHBondContact O-N 2.91Å; R101-V227 HydrophobicContact CB-CG2 4.1Å; R101-V227 HydrophobicContact CG-CB 4.28Å; R101-V227 HydrophobicContact CG-CG2 3.79Å
102I94.3Very high94.4Very high6 Ų649.7 Ų49.73%0.03125%0.25CS..EExtended strand (participates in β ladder)trans-122.966.6176.9-47.7-173.7000109F59 R120 W200 A222 N223 I224F59-I102 HydrophobicContact CB-CD1 3.33Å; F59-I102 HydrophobicContact CD1-CD1 3.92Å; F59-I102 HydrophobicContact CD2-CD1 4.05Å; F59-I102 HydrophobicContact CG-CD1 3.51Å; I102-R120 PolarHBondContact O-NH2 3.43Å; I102-W200 HydrophobicContact CD1-CZ2 4.25Å; I102-A222 HydrophobicContact CG2-CB 4.16Å; I102-A222 VanDerWaalsContact CG2-O 3.3Å; I102-A222 WeakPolarHBondContact CG2-O 3.1Å; I102-N223 WeakPolarHBondContact CA-O 3.25Å; I102-I224 HydrophobicContact CG1-CG1 4.18Å; I102-I224 HydrophobicContact CG2-CG1 4.24Å
103N91.1Very high94.4Very high15 Ų1549 Ų498%0.0824%0.242CC..SBendtrans-172154.1171.6-162.80.1000108E105 D153 N223N103-E105 VanDerWaalsContact C-N 3.3Å; N103-D153 HydrophobicContact CB-CB 3.64Å; N103-D153 PolarHBondContact ND2-O 3.3Å; N103-N223 PolarHBondContact N-O 2.96Å
104D91.3Very high94.4Very high35 Ų3541.4 Ų41.419%0.18721%0.206CC..SBendtrans-83.2-10.7176.6-63.1-42.2000112.8I106 S221 N223 W225D104-I106 PolarHBondContact O-N 2.94Å; D104-I106 VanDerWaalsContact O-N 3.14Å; D104-S221 WeakPolarHBondContact OD2-CB 3.46Å; D104-S221 PolarHBondContact OD2-OG 3.3Å; D104-N223 VanDerWaalsContact OD1-CB 3.24Å; D104-N223 WeakPolarHBondContact OD1-CB 3.36Å; D104-N223 PolarHBondContact OD1-ND2 2.92Å; D104-N223 PolarHBondContact OD2-ND2 2.83Å; D104-W225 PolarHBondContact OD1-NE1 2.69Å
105E90.4Very high94.4Very high123 Ų12339.6 Ų39.658%0.57520%0.197SC*.  trans-7993.9176.4-64.9177-17000110.6N103N103-E105 VanDerWaalsContact C-N 3.3Å
106I91.8Very high94.3Very high14 Ų1435.5 Ų35.57%0.07218%0.175CC..  trans-122.1128.9179-58.5168.4000108.1D104 D108 A112 W225 V227D104-I106 PolarHBondContact O-N 2.94Å; D104-I106 VanDerWaalsContact O-N 3.14Å; I106-D108 PolarHBondContact O-N 2.87Å; I106-A112 HydrophobicContact CD1-CB 3.57Å; I106-A112 HydrophobicContact CG2-CB 4.29Å; I106-W225 HydrophobicContact CD1-CB 3.72Å; I106-W225 HydrophobicContact CD1-CD2 3.81Å; I106-W225 HydrophobicContact CD1-CE3 4.34Å; I106-W225 HydrophobicContact CD1-CG 3.5Å; I106-V227 HydrophobicContact CD1-CG2 3.75Å; I106-V227 HydrophobicContact CG1-CG2 4.24Å; I106-V227 HydrophobicContact CG2-CG1 3.84Å; I106-V227 HydrophobicContact CG2-CG2 4.21Å
107P91.1Very high94.1Very high42 Ų4239.4 Ų39.427%0.27319%0.192SC..  trans-60.6132.7176-22.630.1000113Y109 Y110P107-Y109 HydrophobicContact CB-CD1 3.69Å; P107-Y109 HydrophobicContact CB-CE1 3.22Å; P107-Y109 HydrophobicContact CB-CE2 4.17Å; P107-Y109 HydrophobicContact CB-CG 4.32Å; P107-Y109 VanDerWaalsContact CB-CZ 3.49Å; P107-Y109 HydrophobicContact CG-CE1 4.15Å; P107-Y109 PolarHBondContact O-N 2.91Å; P107-Y110 HydrophobicContact CB-CD2 4Å; P107-Y110 HydrophobicContact CB-CE2 4.31Å; P107-Y110 HydrophobicContact CG-CD2 4Å; P107-Y110 HydrophobicContact CG-CE2 4.06Å; P107-Y110 PolarHBondContact O-N 2.61Å
108D89.5Confident94Very high134 Ų13437.7 Ų37.772%0.71718%0.182SC*.THydrogen-bonded Turntrans-58-14.1-176-51.6-5.2000115I106 Y110I106-D108 PolarHBondContact O-N 2.87Å; D108-Y110 VanDerWaalsContact C-N 3.28Å
109Y89.3Confident93.9Very high156 Ų15641.4 Ų41.461%0.61220%0.199SC*.THydrogen-bonded Turntrans-85.90.4175.559-97.2000113.5P107P107-Y109 HydrophobicContact CB-CD1 3.69Å; P107-Y109 HydrophobicContact CB-CE1 3.22Å; P107-Y109 HydrophobicContact CB-CE2 4.17Å; P107-Y109 HydrophobicContact CB-CG 4.32Å; P107-Y109 VanDerWaalsContact CB-CZ 3.49Å; P107-Y109 HydrophobicContact CG-CE1 4.15Å; P107-Y109 PolarHBondContact O-N 2.91Å
110Y95Very high93.8Very high16 Ų1641.8 Ų41.86%0.06320%0.2CC..SBendtrans-104.9156.1168.3-64.7-51.2000111.2D90 L91 P107 D108 V227 R229D90-Y110 PolarHBondContact OD2-OH 3.41Å; L91-Y110 HydrophobicContact CB-CE1 3.77Å; L91-Y110 HydrophobicContact CD1-CD1 3.71Å; L91-Y110 HydrophobicContact CD1-CE1 3.6Å; L91-Y110 HydrophobicContact CD1-CG 4.36Å; L91-Y110 HydrophobicContact CG-CD1 4.2Å; L91-Y110 HydrophobicContact CG-CE1 3.58Å; L91-Y110 HydrophobicContact CG-CE2 4.43Å; L91-Y110 PolarHBondContact N-OH 3.18Å; P107-Y110 HydrophobicContact CB-CD2 4Å; P107-Y110 HydrophobicContact CB-CE2 4.31Å; P107-Y110 HydrophobicContact CG-CD2 4Å; P107-Y110 HydrophobicContact CG-CE2 4.06Å; P107-Y110 PolarHBondContact O-N 2.61Å; D108-Y110 VanDerWaalsContact C-N 3.28Å; Y110-V227 HydrophobicContact CD2-CG1 4.1Å; Y110-V227 HydrophobicContact CG-CG1 3.92Å; Y110-R229 HydrophobicContact CD1-CG 3.81Å; Y110-R229 HydrophobicContact CE1-CG 3.73Å
111I94.6Very high93.8Very high52 Ų5241.7 Ų41.727%0.26720%0.2SC..EExtended strand (participates in β ladder)trans-94.2130.7168.9-53.7176.5000107.6V227 Y228 E230 P231I111-V227 WeakPolarHBondContact O-CA 3.46Å; I111-Y228 HydrophobicContact CB-CD2 3.88Å; I111-Y228 HydrophobicContact CB-CE2 3.6Å; I111-Y228 HydrophobicContact CD1-CD2 4.37Å; I111-Y228 HydrophobicContact CD1-CE2 4.07Å; I111-Y228 HydrophobicContact CG1-CE2 4.42Å; I111-Y228 HydrophobicContact CG2-CD2 4.24Å; I111-Y228 HydrophobicContact CG2-CE1 4.49Å; I111-Y228 HydrophobicContact CG2-CE2 3.45Å; I111-Y228 VanDerWaalsContact CG2-CE2 3.45Å; I111-Y228 PolarHBondContact N-O 3.09Å; I111-Y228 PolarHBondContact O-N 2.84Å; I111-E230 VanDerWaalsContact CD1-C 3.48Å; I111-P231 HydrophobicContact CD1-CB 4.39Å; I111-P231 HydrophobicContact CD1-CG 3.93Å
112A95.2Very high93.9Very high13 Ų1341.4 Ų41.411%0.10720%0.198CC..EExtended strand (participates in β ladder)trans-118.1129.6179.400000111.1I106 W225 A226 V227I106-A112 HydrophobicContact CD1-CB 3.57Å; I106-A112 HydrophobicContact CG2-CB 4.29Å; A112-W225 HydrophobicContact CB-CD2 4.43Å; A112-W225 HydrophobicContact CB-CE3 3.74Å; A112-W225 HydrophobicContact CB-CZ3 4.19Å; A112-A226 CarbonylContact C-O 3.25Å; A112-A226 WeakPolarHBondContact CA-O 3.21Å; A112-V227 HydrophobicContact CB-CG2 4.47Å
113H94.8Very high94.1Very high64 Ų6441.1 Ų41.130%0.29620%0.197SC..EExtended strand (participates in β ladder)trans-116.7120.5173.4-178.176.1000110L115 W225 A226 Y228 V242H113-L115 PolarHBondContact O-N 2.65Å; H113-W225 VanDerWaalsContact C-CE3 3.43Å; H113-W225 WeakPolarHBondContact O-CA 3.3Å; H113-A226 HydrophobicContact CB-CB 4.3Å; H113-A226 PolarHBondContact N-O 2.8Å; H113-A226 PolarHBondContact O-N 3.44Å; H113-Y228 HydrophobicContact CB-CE1 4.06Å; H113-V242 HydrophobicContact CB-CG1 4.2Å
114L95.1Very high94.5Very high9 Ų940.4 Ų40.45%0.04719%0.193CC..EExtended strand (participates in β ladder)trans-69.2117.9-179-177.563.7000109.9T116 K117 N223 W225 P256 Y260L114-T116 WeakPolarHBondContact CD1-O 3.17Å; L114-K117 HydrophobicContact CD2-CG 4.47Å; L114-N223 HydrophobicContact CD1-CB 3.68Å; L114-W225 VanDerWaalsContact CA-CE3 3.41Å; L114-W225 HydrophobicContact CB-CD2 4.41Å; L114-W225 HydrophobicContact CB-CE3 3.82Å; L114-W225 HydrophobicContact CB-CH2 3.78Å; L114-W225 HydrophobicContact CB-CZ2 4.43Å; L114-W225 HydrophobicContact CB-CZ3 3.47Å; L114-W225 VanDerWaalsContact CB-CZ3 3.47Å; L114-W225 HydrophobicContact CD1-CD2 3.99Å; L114-W225 HydrophobicContact CD1-CE3 4.26Å; L114-W225 HydrophobicContact CD1-CH2 4.08Å; L114-W225 HydrophobicContact CD1-CZ2 3.86Å; L114-W225 HydrophobicContact CD1-CZ3 4.31Å; L114-W225 HydrophobicContact CG-CH2 4.37Å; L114-W225 HydrophobicContact CG-CZ3 4.44Å; L114-W225 VanDerWaalsContact N-CZ3 3.34Å; L114-P256 HydrophobicContact CD2-CB 3.3Å; L114-P256 HydrophobicContact CD2-CG 4.08Å; L114-P256 HydrophobicContact CG-CB 4Å; L114-P256 HydrophobicContact CG-CG 4.32Å; L114-Y260 HydrophobicContact CD2-CD1 3.78Å; L114-Y260 HydrophobicContact CD2-CG 4.1Å
115L96.1Very high94.9Very high0 Ų038.7 Ų38.70%018%0.184CC..EExtended strand (participates in β ladder)trans-82.5-49.2175.3-57.3-179.6000110.4I100 H113 I224 A226 L245 A246 C249 Q250I100-L115 HydrophobicContact CD1-CD1 3.99Å; I100-L115 HydrophobicContact CG2-CD1 4.22Å; H113-L115 PolarHBondContact O-N 2.65Å; L115-I224 HydrophobicContact CB-CG2 4.25Å; L115-I224 WeakPolarHBondContact CB-O 3.49Å; L115-I224 HydrophobicContact CD1-CG2 4.14Å; L115-I224 PolarHBondContact N-O 3.29Å; L115-A226 HydrophobicContact CD1-CB 4.12Å; L115-A226 HydrophobicContact CD2-CB 3.77Å; L115-A226 HydrophobicContact CG-CB 4.03Å; L115-L245 HydrophobicContact CD1-CB 4.48Å; L115-A246 HydrophobicContact CD2-CB 3.68Å; L115-C249 HydrophobicContact CB-CB 4.2Å; L115-Q250 VanDerWaalsContact O-CG 3.24Å; L115-Q250 WeakPolarHBondContact O-CG 3.49Å; L115-Q250 PolarHBondContact O-NE2 2.89Å
116T95.5Very high95.2Very high2 Ų234.6 Ų34.61%0.01217%0.168CC..EExtended strand (participates in β ladder)trans-162.2157.3178-173.60000111.5L114 I224 C249 L253 G254L114-T116 WeakPolarHBondContact CD1-O 3.17Å; T116-I224 HydrophobicContact CG2-CB 3.97Å; T116-I224 HydrophobicContact CG2-CD1 3.65Å; T116-I224 HydrophobicContact CG2-CG1 4.33Å; T116-I224 PolarHBondContact N-O 2.76Å; T116-I224 PolarHBondContact O-N 2.97Å; T116-C249 HydrophobicContact CG2-CB 4.17Å; T116-L253 HydrophobicContact CG2-CB 3.98Å; T116-L253 HydrophobicContact CG2-CD1 4.01Å; T116-G254 WeakPolarHBondContact CB-O 3.26Å; T116-G254 PolarHBondContact OG1-O 2.89Å
117K94.4Very high95.5Very high87 Ų8738.6 Ų38.638%0.37819%0.187SC..  trans-74.5143.9173.5-71.6-175.5176.2-177.70110.3L114 N223 P256 D257L114-K117 HydrophobicContact CD2-CG 4.47Å; K117-N223 VanDerWaalsContact CA-OD1 3.24Å; K117-N223 WeakPolarHBondContact CA-OD1 2.92Å; K117-P256 HydrophobicContact CG-CB 4.35Å; K117-D257 IonicContact NZ-OD2 3.03Å; K117-D257 PolarHBondContact NZ-OD2 3.5Å
118N95.7Very high95.9Very high15 Ų1536.8 Ų36.88%0.0817%0.174CC..  trans-154.8156.8175171.956.5000110.2W200 A222 N223 I224N118-W200 VanDerWaalsContact OD1-CD1 3.3Å; N118-A222 VanDerWaalsContact CB-O 3.24Å; N118-A222 WeakPolarHBondContact CB-O 3.41Å; N118-A222 PolarHBondContact ND2-O 3.29Å; N118-A222 CarbonylContact O-C 3.59Å; N118-A222 VanDerWaalsContact O-C 3.25Å; N118-A222 PolarHBondContact O-N 2.98Å; N118-N223 PolarHBondContact N-OD1 3.19Å; N118-N223 VanDerWaalsContact N-OD1 3.1Å; N118-N223 PolarHBondContact O-N 2.79Å; N118-N223 PolarHBondContact O-OD1 3.28Å; N118-I224 HydrophobicContact CB-CD1 3.86Å; N118-I224 HydrophobicContact CB-CG1 4.05Å
119K95.3Very high96.3Very high79 Ų7931.8 Ų31.834%0.34315%0.147SC..EExtended strand (participates in β ladder)trans-140.9155.8177.262.3-177.1176.8177.70110.1I121 S198 E199 A219 Q220K119-I121 HydrophobicContact CD-CG2 4.2Å; K119-I121 HydrophobicContact CG-CG2 4.24Å; K119-S198 WeakPolarHBondContact O-CA 3.32Å; K119-E199 WeakPolarHBondContact CE-OE1 3.41Å; K119-E199 WeakPolarHBondContact CE-OE2 3.11Å; K119-E199 HydrophobicContact CG-CB 4.36Å; K119-E199 IonicContact NZ-OE1 3.84Å; K119-E199 PolarHBondContact NZ-OE1 3.2Å; K119-E199 IonicContact NZ-OE2 2.88Å; K119-E199 PolarHBondContact O-N 2.88Å; K119-A219 HydrophobicContact CB-CB 4.29Å; K119-A219 HydrophobicContact CD-CB 4.04Å; K119-Q220 CarbonylContact C-O 3.55Å; K119-Q220 WeakPolarHBondContact CA-O 3.35Å; K119-Q220 WeakPolarHBondContact CB-O 3.42Å
120R96Very high96.7Very high7 Ų732 Ų323%0.02615%0.154CC..EExtended strand (participates in β ladder)trans-97139.2164.8-48.1-172179.288.74.2109.7I102 L196 R197 A219 Q220 A222I102-R120 PolarHBondContact O-NH2 3.43Å; R120-L196 HydrophobicContact CB-CD1 3.66Å; R120-L196 HydrophobicContact CB-CG 3.84Å; R120-R197 CarbonylContact C-O 3.6Å; R120-R197 WeakPolarHBondContact CA-O 2.83Å; R120-A219 WeakPolarHBondContact O-CA 3.44Å; R120-A219 WeakPolarHBondContact O-CB 3.49Å; R120-Q220 HydrophobicContact CB-CB 4.16Å; R120-Q220 PolarHBondContact N-O 3.08Å; R120-Q220 PolarHBondContact O-N 2.78Å; R120-A222 HydrophobicContact CG-CB 3.74Å
121I97.9Very high96.8Very high0 Ų038.6 Ų38.60%018%0.183CC..EExtended strand (participates in β ladder)trans-124.2158.3179.956.6170.7000110.3K119 L196 R197 E199 V202 L206 Q213 A219K119-I121 HydrophobicContact CD-CG2 4.2Å; K119-I121 HydrophobicContact CG-CG2 4.24Å; I121-L196 WeakPolarHBondContact O-CA 3.35Å; I121-R197 PolarHBondContact N-O 2.98Å; I121-R197 PolarHBondContact O-N 3.41Å; I121-E199 HydrophobicContact CD1-CB 4.47Å; I121-E199 HydrophobicContact CD1-CG 4.27Å; I121-V202 HydrophobicContact CD1-CG2 3.79Å; I121-V202 HydrophobicContact CG1-CG2 3.99Å; I121-L206 HydrophobicContact CD1-CD1 3.73Å; I121-Q213 HydrophobicContact CD1-CG 4.33Å; I121-A219 HydrophobicContact CG2-CB 4.3Å
122L98.4Very high96.9Very high0 Ų040.9 Ų40.90%019%0.189CC..EExtended strand (participates in β ladder)trans-87.9126.5178.7-65.7167.1000110.2L141 W159 L161 I194 M195 L196 Q213 V214 L215L122-L141 HydrophobicContact CD1-CD1 4.27Å; L122-W159 HydrophobicContact CD2-CD2 4.44Å; L122-W159 HydrophobicContact CD2-CE3 3.42Å; L122-W159 VanDerWaalsContact CD2-CE3 3.42Å; L122-W159 HydrophobicContact CD2-CH2 4.06Å; L122-W159 HydrophobicContact CD2-CZ3 3.21Å; L122-L161 HydrophobicContact CD1-CD1 3.92Å; L122-L161 HydrophobicContact CD1-CD2 4.26Å; L122-L161 HydrophobicContact CD2-CD1 4.49Å; L122-L161 HydrophobicContact CG-CD2 4.28Å; L122-I194 HydrophobicContact CB-CG2 4.41Å; L122-I194 HydrophobicContact CD2-CG2 4.18Å; L122-M195 VanDerWaalsContact CA-O 3.3Å; L122-M195 WeakPolarHBondContact CA-O 3.2Å; L122-L196 HydrophobicContact CD2-CB 4.07Å; L122-L196 HydrophobicContact CD2-CD1 4.03Å; L122-L196 HydrophobicContact CG-CD1 4.25Å; L122-Q213 CarbonylContact O-C 3.55Å; L122-Q213 WeakPolarHBondContact O-CA 3.41Å; L122-Q213 WeakPolarHBondContact O-CG 3.4Å; L122-V214 HydrophobicContact CB-CG2 3.63Å; L122-V214 WeakPolarHBondContact CB-O 3.26Å; L122-V214 PolarHBondContact O-N 2.87Å; L122-L215 HydrophobicContact CD1-CB 4.01Å; L122-L215 HydrophobicContact CD1-CD1 3.99Å
123C98.5Very high96.9Very high0 Ų045.3 Ų45.30%022%0.216CC..EExtended strand (participates in β ladder)trans-138.3149.5-178.1-60.60000111.6I194 M195 L211 V212C123-I194 WeakPolarHBondContact O-CA 3.45Å; C123-M195 HydrophobicContact CB-CE 4.05Å; C123-M195 PolarHBondContact N-O 3.32Å; C123-M195 PolarHBondContact O-N 2.88Å; C123-L211 HydrophobicContact CB-CB 4.41Å; C123-L211 HydrophobicContact CB-CD1 4.23Å; C123-V212 WeakPolarHBondContact CA-O 3.46Å
124A98.7Very high97Very high0 Ų045.7 Ų45.70%022%0.219CC..EExtended strand (participates in β ladder)trans-144.1155.5169.600000110.6Y128 L129 I194 V212A124-Y128 HydrophobicContact CB-CD1 3.97Å; A124-L129 HydrophobicContact CB-CD2 4.12Å; A124-L129 HydrophobicContact CB-CG 4.17Å; A124-I194 HydrophobicContact CB-CG1 4.09Å; A124-V212 PolarHBondContact N-O 2.83Å; A124-V212 PolarHBondContact O-N 2.71Å
125A98.7Very high97.1Very high0 Ų045.3 Ų45.30%022%0.217CC..  trans-71.6148.2171.900000111.6E127 Y128 L129 A188 L211A125-E127 WeakPolarHBondContact CB-OE2 3.23Å; A125-E127 PolarHBondContact O-N 2.82Å; A125-Y128 WeakPolarHBondContact O-CB 3.3Å; A125-Y128 PolarHBondContact O-N 3.5Å; A125-L129 PolarHBondContact O-N 3.4Å; A125-A188 WeakPolarHBondContact CB-O 3.46Å; A125-L211 HydrophobicContact CB-CD2 4.36Å
126P98.6Very high97.1Very high36 Ų3651.9 Ų51.923%0.23425%0.247CC..Hα-helixtrans-51.1-38175.5-24.931.3000113.7Y128 L129 Q130 G209 K210 V212P126-Y128 VanDerWaalsContact C-N 3.28Å; P126-Y128 PolarHBondContact O-N 3.28Å; P126-L129 PolarHBondContact O-N 3.24Å; P126-L129 VanDerWaalsContact O-N 3.12Å; P126-Q130 WeakPolarHBondContact O-CG 3.19Å; P126-Q130 PolarHBondContact O-N 2.87Å; P126-G209 VanDerWaalsContact CG-O 3.26Å; P126-G209 WeakPolarHBondContact CG-O 3.33Å; P126-K210 WeakPolarHBondContact CD-O 3.46Å; P126-V212 HydrophobicContact CG-CG2 3.97Å
127E98Very high97.2Very high99 Ų9953.4 Ų53.446%0.46326%0.258SS..Hα-helixtrans-63.8-31.1-179.8-64.879.6-176.100112.9A125A125-E127 WeakPolarHBondContact CB-OE2 3.23Å; A125-E127 PolarHBondContact O-N 2.82Å
128Y98.5Very high97.3Very high3 Ų349.4 Ų49.41%0.01224%0.24CC..Hα-helixtrans-71-44.3172.7179.1-99.2000110.4A124 A125 P126 Q130 K131 Y132 H144 D145 G191 I194A124-Y128 HydrophobicContact CB-CD1 3.97Å; A125-Y128 WeakPolarHBondContact O-CB 3.3Å; A125-Y128 PolarHBondContact O-N 3.5Å; P126-Y128 VanDerWaalsContact C-N 3.28Å; P126-Y128 PolarHBondContact O-N 3.28Å; Y128-Q130 VanDerWaalsContact C-N 3.27Å; Y128-Q130 PolarHBondContact O-N 2.89Å; Y128-K131 PolarHBondContact O-N 3.45Å; Y128-Y132 AromaticContact CD2-CD2 3.76Å; Y128-Y132 HydrophobicContact CD2-CD2 3.76Å; Y128-Y132 HydrophobicContact CD2-CE2 4.2Å; Y128-Y132 HydrophobicContact CE1-CD2 4.31Å; Y128-Y132 AromaticContact CE2-CD2 3.33Å; Y128-Y132 HydrophobicContact CE2-CD2 3.33Å; Y128-Y132 AromaticContact CE2-CE2 3.69Å; Y128-Y132 HydrophobicContact CE2-CE2 3.69Å; Y128-Y132 HydrophobicContact CE2-CG 4.17Å; Y128-Y132 HydrophobicContact CG-CD2 4.4Å; Y128-Y132 AromaticContact CZ-CD2 3.65Å; Y128-Y132 PolarHBondContact O-N 2.83Å; Y128-H144 AromaticContact CE1-ND1 3.54Å; Y128-H144 AromaticContact CZ-ND1 3.73Å; Y128-H144 WeakPolarHBondContact OH-CA 2.86Å; Y128-H144 VanDerWaalsContact OH-CB 3.23Å; Y128-H144 WeakPolarHBondContact OH-CB 3.44Å; Y128-H144 PolarHBondContact OH-ND1 2.84Å; Y128-H144 VanDerWaalsContact OH-ND1 3.14Å; Y128-D145 HydrophobicContact CE2-CB 4.3Å; Y128-D145 PolarHBondContact OH-N 2.81Å; Y128-G191 WeakPolarHBondContact CD2-O 3.29Å; Y128-I194 HydrophobicContact CD1-CG1 4.37Å; Y128-I194 HydrophobicContact CE1-CD1 4.33Å; Y128-I194 HydrophobicContact CE1-CG1 3.76Å
129L98.3Very high97.3Very high29 Ų2954.6 Ų54.615%0.15226%0.264CS..Hα-helixtrans-69.1-21.6-178.2-61.5178.4000113.8A124 A125 P126 K131 Y132 Q134 V212 V214A124-L129 HydrophobicContact CB-CD2 4.12Å; A124-L129 HydrophobicContact CB-CG 4.17Å; A125-L129 PolarHBondContact O-N 3.4Å; P126-L129 PolarHBondContact O-N 3.24Å; P126-L129 VanDerWaalsContact O-N 3.12Å; L129-K131 VanDerWaalsContact C-N 3.3Å; L129-Y132 CarbonylContact C-O 3.46Å; L129-Y132 VanDerWaalsContact CA-O 3.32Å; L129-Y132 WeakPolarHBondContact CA-O 3.24Å; L129-Y132 CarbonylContact O-C 3.48Å; L129-Q134 HydrophobicContact CD2-CB 4.28Å; L129-V212 HydrophobicContact CD1-CB 3.9Å; L129-V212 HydrophobicContact CD1-CG1 4.08Å; L129-V212 HydrophobicContact CD1-CG2 4.45Å; L129-V214 HydrophobicContact CD1-CG1 4.03Å; L129-V214 HydrophobicContact CD2-CG1 4.09Å
130Q97.3Very high97.3Very high160 Ų16053.5 Ų53.575%0.74826%0.261SS*.THydrogen-bonded Turntrans-67.8-29.7169.7-73170.72100112.8P126 Y128P126-Q130 WeakPolarHBondContact O-CG 3.19Å; P126-Q130 PolarHBondContact O-N 2.87Å; Y128-Q130 VanDerWaalsContact C-N 3.27Å; Y128-Q130 PolarHBondContact O-N 2.89Å
131K97.1Very high97.4Very high156 Ų15653.2 Ų53.268%0.67826%0.259SS*.THydrogen-bonded Turntrans-93.5-36.2-179.2-63174.1-174.3170.40112Y128 L129Y128-K131 PolarHBondContact O-N 3.45Å; L129-K131 VanDerWaalsContact C-N 3.3Å
132Y96.7Very high97.1Very high100 Ų10056.7 Ų56.739%0.39228%0.284SS..SBendtrans-123.7109.9-179.1-60.2-79.9000109.2Y128 L129 Q134Y128-Y132 AromaticContact CD2-CD2 3.76Å; Y128-Y132 HydrophobicContact CD2-CD2 3.76Å; Y128-Y132 HydrophobicContact CD2-CE2 4.2Å; Y128-Y132 HydrophobicContact CE1-CD2 4.31Å; Y128-Y132 AromaticContact CE2-CD2 3.33Å; Y128-Y132 HydrophobicContact CE2-CD2 3.33Å; Y128-Y132 AromaticContact CE2-CE2 3.69Å; Y128-Y132 HydrophobicContact CE2-CE2 3.69Å; Y128-Y132 HydrophobicContact CE2-CG 4.17Å; Y128-Y132 HydrophobicContact CG-CD2 4.4Å; Y128-Y132 AromaticContact CZ-CD2 3.65Å; Y128-Y132 PolarHBondContact O-N 2.83Å; L129-Y132 CarbonylContact C-O 3.46Å; L129-Y132 VanDerWaalsContact CA-O 3.32Å; L129-Y132 WeakPolarHBondContact CA-O 3.24Å; L129-Y132 CarbonylContact O-C 3.48Å; Y132-Q134 PolarHBondContact O-N 2.94Å
133P95.3Very high96.9Very high105 Ų10566.3 Ų66.368%0.68232%0.32SS*.PPolyproline II helixtrans-51.3140.7-179.1-27.134.3000112.1H144P133-H144 PolarHBondContact O-CE1 3.15Å; P133-H144 PolarHBondContact O-NE2 2.78Å
134Q96.6Very high96.9Very high73 Ų7367 Ų6734%0.34132%0.323SS..PPolyproline II helixtrans-54.4131.4-178.8177.6175.1-21.900111.6L129 Y132 Q136 V214L129-Q134 HydrophobicContact CD2-CB 4.28Å; Y132-Q134 PolarHBondContact O-N 2.94Å; Q134-Q136 PolarHBondContact O-N 3.44Å; Q134-Q136 PolarHBondContact O-NE2 3.14Å; Q134-V214 HydrophobicContact CG-CB 4.17Å; Q134-V214 HydrophobicContact CG-CG1 3.92Å
135P97.3Very high96.8Very high1 Ų168.8 Ų68.81%0.00633%0.333CS..PPolyproline II helixtrans-63.5136.8178.126.5-34.1000110.5E140 L141 I194 V214 L215P135-E140 WeakPolarHBondContact CA-OE2 3.43Å; P135-E140 HydrophobicContact CB-CB 3.83Å; P135-L141 HydrophobicContact CG-CD2 4.14Å; P135-I194 HydrophobicContact CG-CD1 3.85Å; P135-V214 HydrophobicContact CG-CB 4.45Å; P135-V214 HydrophobicContact CG-CG2 4.47Å; P135-L215 HydrophobicContact CB-CD1 4.22Å; P135-L215 HydrophobicContact CB-CG 4.49Å; P135-L215 HydrophobicContact CG-CD1 4.05Å; P135-L215 HydrophobicContact CG-CG 4.18Å; P135-L215 VanDerWaalsContact O-CD2 3.25Å; P135-L215 WeakPolarHBondContact O-CD2 3.48Å
136Q96.7Very high96.7Very high138 Ų13868.8 Ų68.865%0.64533%0.333SS*.SBendtrans-100.4-7.8178.4-56.5-58.5-57.700112.7Q134 E140Q134-Q136 PolarHBondContact O-N 3.44Å; Q134-Q136 PolarHBondContact O-NE2 3.14Å; Q136-E140 PolarHBondContact N-OE2 2.54Å
137S96.5Very high96.7Very high33 Ų3367.2 Ų67.223%0.23132%0.322CS..SBendtrans-148.7158.1177.563.70000111.3Q139 E140S137-Q139 PolarHBondContact O-N 3.22Å; S137-E140 WeakPolarHBondContact O-CB 3.25Å; S137-E140 PolarHBondContact O-N 2.78Å; S137-E140 VanDerWaalsContact O-N 3.11Å; S137-E140 WeakPolarHBondContact OG-CG 3.44Å; S137-E140 PolarHBondContact OG-OE1 2.91Å
138L96.8Very high96.4Very high3 Ų363.1 Ų63.12%0.01630%0.304CS..G310 helixtrans-58.5-32.3175.5-70178.8000112.7E140 L141 L161 K168 V170 L215 Y218L138-E140 VanDerWaalsContact C-N 3.27Å; L138-E140 PolarHBondContact O-N 2.97Å; L138-L141 HydrophobicContact CD2-CD1 4.1Å; L138-L141 WeakPolarHBondContact O-CB 3.46Å; L138-L141 PolarHBondContact O-N 3.1Å; L138-L161 HydrophobicContact CD1-CB 4.47Å; L138-L161 HydrophobicContact CD2-CB 4.23Å; L138-L161 HydrophobicContact CD2-CD1 3.52Å; L138-L161 HydrophobicContact CD2-CG 4.5Å; L138-K168 HydrophobicContact CD1-CB 3.97Å; L138-K168 HydrophobicContact CD1-CD 3.64Å; L138-K168 HydrophobicContact CD1-CG 4.43Å; L138-V170 HydrophobicContact CB-CG2 4Å; L138-V170 HydrophobicContact CD1-CG2 3.91Å; L138-V170 HydrophobicContact CD2-CG2 4.23Å; L138-V170 HydrophobicContact CG-CG2 4.29Å; L138-L215 HydrophobicContact CD2-CD1 4.15Å; L138-Y218 HydrophobicContact CD1-CD1 3.75Å; L138-Y218 HydrophobicContact CD1-CD2 4.46Å; L138-Y218 HydrophobicContact CD1-CE1 3.5Å; L138-Y218 HydrophobicContact CD1-CE2 4.26Å; L138-Y218 HydrophobicContact CD1-CG 4.23Å; L138-Y218 HydrophobicContact CD2-CD1 4.22Å; L138-Y218 HydrophobicContact CD2-CD2 3.87Å; L138-Y218 HydrophobicContact CD2-CE2 4.23Å; L138-Y218 HydrophobicContact CD2-CG 3.86Å; L138-Y218 HydrophobicContact CG-CD1 4.18Å; L138-Y218 HydrophobicContact CG-CD2 4Å; L138-Y218 HydrophobicContact CG-CE1 4.02Å; L138-Y218 HydrophobicContact CG-CE2 3.84Å; L138-Y218 HydrophobicContact CG-CG 4.17Å
139Q95.3Very high95.9Very high125 Ų12563.1 Ų63.158%0.58430%0.304SS*.G310 helixtrans-65.5-31.5179-70.57513.600112.1S137 L141 S142S137-Q139 PolarHBondContact O-N 3.22Å; Q139-L141 PolarHBondContact O-N 2.96Å; Q139-S142 PolarHBondContact O-N 2.79Å; Q139-S142 PolarHBondContact O-OG 3.37Å
140E96.7Very high95.2Very high56 Ų5666 Ų6626%0.26232%0.316SS..G310 helixtrans-69.3-18.7178.6-74.7163.5-132.500113P135 Q136 S137 L138 S142 R143 H144P135-E140 WeakPolarHBondContact CA-OE2 3.43Å; P135-E140 HydrophobicContact CB-CB 3.83Å; Q136-E140 PolarHBondContact N-OE2 2.54Å; S137-E140 WeakPolarHBondContact O-CB 3.25Å; S137-E140 PolarHBondContact O-N 2.78Å; S137-E140 VanDerWaalsContact O-N 3.11Å; S137-E140 WeakPolarHBondContact OG-CG 3.44Å; S137-E140 PolarHBondContact OG-OE1 2.91Å; L138-E140 VanDerWaalsContact C-N 3.27Å; L138-E140 PolarHBondContact O-N 2.97Å; E140-S142 PolarHBondContact O-N 2.83Å; E140-S142 VanDerWaalsContact O-N 3.09Å; E140-R143 WeakPolarHBondContact O-CB 3.41Å; E140-R143 PolarHBondContact O-N 2.84Å; E140-H144 PolarHBondContact O-CD2 3.32Å; E140-H144 VanDerWaalsContact O-CD2 3.3Å
141L96.7Very high94.4Very high0 Ų059.7 Ų59.70%029%0.286CS..G310 helixtrans-55.7-28.4173.4-68.9174.2000112.6L122 P135 L138 Q139 R143 H144 W159 L161 V170 I194 L215L122-L141 HydrophobicContact CD1-CD1 4.27Å; P135-L141 HydrophobicContact CG-CD2 4.14Å; L138-L141 HydrophobicContact CD2-CD1 4.1Å; L138-L141 WeakPolarHBondContact O-CB 3.46Å; L138-L141 PolarHBondContact O-N 3.1Å; Q139-L141 PolarHBondContact O-N 2.96Å; L141-R143 PolarHBondContact O-N 3Å; L141-H144 PolarHBondContact O-N 3.09Å; L141-H144 VanDerWaalsContact O-N 3.11Å; L141-W159 HydrophobicContact CD1-CE3 4.2Å; L141-W159 HydrophobicContact CD1-CZ3 4.29Å; L141-W159 HydrophobicContact CD2-CZ3 4.46Å; L141-L161 HydrophobicContact CD1-CD1 4.24Å; L141-V170 HydrophobicContact CD1-CG1 4.18Å; L141-I194 HydrophobicContact CD2-CD1 3.82Å; L141-I194 HydrophobicContact CD2-CG2 4.34Å; L141-L215 HydrophobicContact CD1-CD1 4.27Å; L141-L215 HydrophobicContact CD2-CD1 4.12Å; L141-L215 HydrophobicContact CG-CD1 4.11Å
142S93.4Very high93.4Very high74 Ų7452.9 Ų52.952%0.51726%0.256SS..G310 helixtrans-63.6-15.9174.364.60000114.5Q139 E140Q139-S142 PolarHBondContact O-N 2.79Å; Q139-S142 PolarHBondContact O-OG 3.37Å; E140-S142 PolarHBondContact O-N 2.83Å; E140-S142 VanDerWaalsContact O-N 3.09Å
143R93.9Very high92.1Very high201 Ų20149 Ų4976%0.75824%0.242SC*.G310 helixtrans-97.81.5177.7-58.6179.1177169.2-0.9113.1E140 L141E140-R143 WeakPolarHBondContact O-CB 3.41Å; E140-R143 PolarHBondContact O-N 2.84Å; L141-R143 PolarHBondContact O-N 3Å
144H97.3Very high90.9Very high15 Ų1544.9 Ų44.97%0.06921%0.214CC..SBendtrans-113.2153-179.7-73.3-78.5000111Y128 P133 E140 L141 C146 I194Y128-H144 AromaticContact CE1-ND1 3.54Å; Y128-H144 AromaticContact CZ-ND1 3.73Å; Y128-H144 WeakPolarHBondContact OH-CA 2.86Å; Y128-H144 VanDerWaalsContact OH-CB 3.23Å; Y128-H144 WeakPolarHBondContact OH-CB 3.44Å; Y128-H144 PolarHBondContact OH-ND1 2.84Å; Y128-H144 VanDerWaalsContact OH-ND1 3.14Å; P133-H144 PolarHBondContact O-CE1 3.15Å; P133-H144 PolarHBondContact O-NE2 2.78Å; E140-H144 PolarHBondContact O-CD2 3.32Å; E140-H144 VanDerWaalsContact O-CD2 3.3Å; L141-H144 PolarHBondContact O-N 3.09Å; L141-H144 VanDerWaalsContact O-N 3.11Å; H144-C146 PolarHBondContact O-N 2.86Å; H144-C146 VanDerWaalsContact O-N 3.12Å; H144-I194 HydrophobicContact CB-CD1 3.71Å; H144-I194 HydrophobicContact CB-CG1 4.34Å
145D97.2Very high89.9Confident38 Ų3845.1 Ų45.120%0.20322%0.221CC..  trans-68.7104.2162.8-75.7-59.3000109Y128 H175 K192 G193 I194Y128-D145 HydrophobicContact CE2-CB 4.3Å; Y128-D145 PolarHBondContact OH-N 2.81Å; D145-H175 IonicContact OD1-CE1 3.48Å; D145-H175 PolarHBondContact OD1-CE1 3.12Å; D145-H175 IonicContact OD1-CG 3.9Å; D145-H175 IonicContact OD1-ND1 2.75Å; D145-H175 PolarHBondContact OD1-ND1 3.37Å; D145-K192 WeakPolarHBondContact CB-O 3.45Å; D145-G193 CarbonylContact O-C 3.55Å; D145-G193 WeakPolarHBondContact O-CA 3.3Å; D145-I194 PolarHBondContact O-N 2.92Å
146C97.4Very high89Confident0 Ų050.9 Ų50.90%025%0.247CC..EExtended strand (participates in β ladder)trans-91.3123.6172.7-66.90000110H144 V148 W159 V172 S173 G174 I194H144-C146 PolarHBondContact O-N 2.86Å; H144-C146 VanDerWaalsContact O-N 3.12Å; C146-V148 PolarHBondContact O-N 2.83Å; C146-W159 HydrophobicContact CB-CH2 3.64Å; C146-W159 HydrophobicContact CB-CZ2 3.98Å; C146-W159 HydrophobicContact CB-CZ3 4.31Å; C146-V172 HydrophobicContact CB-CB 3.71Å; C146-V172 HydrophobicContact CB-CG1 4.3Å; C146-V172 HydrophobicContact CB-CG2 4.19Å; C146-S173 WeakPolarHBondContact CB-O 3.47Å; C146-S173 PolarHBondContact N-O 3.47Å; C146-G174 WeakPolarHBondContact O-CA 3.31Å; C146-I194 CarbonylContact C-O 3.56Å; C146-I194 WeakPolarHBondContact CA-O 3.45Å
147L96.9Very high88.4Confident2 Ų245 Ų451%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-83.2106.6179.7-53.1174.9000108.8L176 V184 W187 A188 K192 I194 M195L147-L176 HydrophobicContact CD2-CB 3.89Å; L147-L176 HydrophobicContact CD2-CD1 3.99Å; L147-L176 HydrophobicContact CD2-CG 4.46Å; L147-V184 HydrophobicContact CB-CG1 3.78Å; L147-W187 HydrophobicContact CD1-CB 3.9Å; L147-W187 HydrophobicContact CD2-CB 4.32Å; L147-A188 HydrophobicContact CD1-CB 3.84Å; L147-K192 HydrophobicContact CD2-CB 4.17Å; L147-I194 PolarHBondContact N-O 2.97Å; L147-M195 HydrophobicContact CB-CB 4.26Å; L147-M195 HydrophobicContact CD1-CB 4.43Å
148V92.4Very high88.2Confident14 Ų1446.3 Ų46.39%0.08523%0.228CC..EExtended strand (participates in β ladder)trans-90.7115.1-170.3-179.50000111.1C146 V172 L176 S177 S178C146-V148 PolarHBondContact O-N 2.83Å; V148-V172 HydrophobicContact CG2-CG2 4.09Å; V148-L176 PolarHBondContact N-O 3.39Å; V148-S177 WeakPolarHBondContact O-CA 3.38Å; V148-S177 WeakPolarHBondContact O-CB 3.13Å; V148-S178 PolarHBondContact O-N 3.04Å; V148-S178 VanDerWaalsContact O-N 3.14Å
149T88Confident88.1Confident2 Ų246.3 Ų46.31%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-80.7122.8170.2-45.90000110.3E151 M154 S178T149-E151 VanDerWaalsContact C-N 3.34Å; T149-E151 HydrophobicContact CG2-CB 3.72Å; T149-E151 VanDerWaalsContact CG2-CD 3.42Å; T149-E151 HydrophobicContact CG2-CG 3.38Å; T149-M154 HydrophobicContact CG2-SD 4.24Å; T149-S178 CarbonylContact C-O 3.55Å; T149-S178 WeakPolarHBondContact CA-O 3.46Å
150K84.4Confident88.1Confident89 Ų8943.5 Ų43.539%0.38722%0.215SC..  trans-100.347.8174.6-57.7-173.3175166.70110.5H156 S177 S178 N179K150-H156 VanDerWaalsContact CG-CD2 3.45Å; K150-H156 WeakPolarHBondContact CG-CD2 3.32Å; K150-S177 VanDerWaalsContact CE-OG 3.25Å; K150-S177 WeakPolarHBondContact CE-OG 3.24Å; K150-S177 PolarHBondContact NZ-OG 2.84Å; K150-S178 PolarHBondContact N-O 3.38Å; K150-N179 HydrophobicContact CB-CB 4.4Å; K150-N179 WeakPolarHBondContact O-CA 3.46Å; K150-N179 WeakPolarHBondContact O-CB 3.24Å
151E79.5Confident88Confident29 Ų2940.9 Ų40.914%0.13620%0.203CC..  trans-83.3164.8-179.3-89175-176.700111.2T149 D153 M154 N179 G181 R197T149-E151 VanDerWaalsContact C-N 3.34Å; T149-E151 HydrophobicContact CG2-CB 3.72Å; T149-E151 VanDerWaalsContact CG2-CD 3.42Å; T149-E151 HydrophobicContact CG2-CG 3.38Å; E151-D153 PolarHBondContact O-N 3.38Å; E151-M154 PolarHBondContact O-N 2.91Å; E151-M154 VanDerWaalsContact O-N 3.07Å; E151-N179 WeakPolarHBondContact CG-O 3.46Å; E151-G181 WeakPolarHBondContact OE1-CA 3.33Å; E151-G181 PolarHBondContact OE1-N 2.92Å; E151-R197 VanDerWaalsContact CD-NH1 3.29Å; E151-R197 IonicContact OE1-CZ 2.61Å; E151-R197 IonicContact OE1-NH1 3.27Å; E151-R197 PolarHBondContact OE1-NH1 2.84Å; E151-R197 IonicContact OE1-NH2 3.18Å; E151-R197 IonicContact OE2-NH1 3.8Å; E151-R197 PolarHBondContact OE2-NH1 3.01Å
152R76.3Confident88Confident12 Ų1241.6 Ų41.65%0.04521%0.21CC..THydrogen-bonded Turntrans-32.4-41.1179173.8165.1-176.4-165.9-6.1116.3D86 R87 Q88 D99D86-R152 VanDerWaalsContact O-CA 3.26Å; D86-R152 WeakPolarHBondContact O-CA 3.38Å; D86-R152 PolarHBondContact O-N 3.45Å; R87-R152 VanDerWaalsContact C-CG 3.44Å; R87-R152 WeakPolarHBondContact O-CD 3.44Å; R87-R152 VanDerWaalsContact O-CG 3.23Å; R87-R152 WeakPolarHBondContact O-CG 3.23Å; R87-R152 PolarHBondContact O-NE 3.05Å; Q88-R152 HydrophobicContact CG-CG 4.32Å; Q88-R152 WeakPolarHBondContact CG-O 3.1Å; D99-R152 VanDerWaalsContact CG-NH2 3.25Å; D99-R152 IonicContact OD1-CZ 2.98Å; D99-R152 IonicContact OD1-NH1 3.37Å; D99-R152 PolarHBondContact OD1-NH1 3.32Å; D99-R152 IonicContact OD1-NH2 2.73Å; D99-R152 PolarHBondContact OD1-NH2 3.08Å; D99-R152 IonicContact OD2-CZ 2.7Å; D99-R152 IonicContact OD2-NH1 3.89Å; D99-R152 IonicContact OD2-NH2 3.22Å; D99-R152 PolarHBondContact OD2-NH2 3.16Å
153D69.6Low88Confident18 Ų1840.6 Ų40.610%0.09620%0.199CC..THydrogen-bonded Turntrans-118.621.8-170.5-55.7-51.4000114N103 E151N103-D153 HydrophobicContact CB-CB 3.64Å; N103-D153 PolarHBondContact ND2-O 3.3Å; E151-D153 PolarHBondContact O-N 3.38Å
154M70Confident87.7Confident19 Ų1935.1 Ų35.19%0.09421%0.205CC..  trans-119.3129.7-175.8-65.9-169.171.400113.8T149 E151 H156 L196T149-M154 HydrophobicContact CG2-SD 4.24Å; E151-M154 PolarHBondContact O-N 2.91Å; E151-M154 VanDerWaalsContact O-N 3.07Å; M154-H156 PolarHBondContact O-N 3.28Å; M154-L196 HydrophobicContact CE-CD2 4.24Å
155T75.8Confident87.3Confident79 Ų7943.1 Ų43.149%0.48524%0.242SC..  trans-68.8126.3169-56.60000110.3G157 I158T155-G157 PolarHBondContact O-N 3.41Å; T155-I158 HydrophobicContact CG2-CB 4.08Å; T155-I158 HydrophobicContact CG2-CD1 4.07Å; T155-I158 HydrophobicContact CG2-CG1 4.35Å; T155-I158 PolarHBondContact O-N 3.11Å
156H77.5Confident87Confident121 Ų12145 Ų4556%0.5625%0.25SS*.THydrogen-bonded Turntrans-61.2119.1-174.5-70.484.1000112.4K150 M154 I158K150-H156 VanDerWaalsContact CG-CD2 3.45Å; K150-H156 WeakPolarHBondContact CG-CD2 3.32Å; M154-H156 PolarHBondContact O-N 3.28Å; H156-I158 PolarHBondContact O-N 3.07Å
157G85.5Confident86.8Confident16 Ų1653.9 Ų53.917%0.16529%0.289CS..THydrogen-bonded Turntrans69.711.2174.400000115.1T155 K171 V172T155-G157 PolarHBondContact O-N 3.41Å; G157-K171 WeakPolarHBondContact O-CA 3.46Å; G157-V172 PolarHBondContact O-N 3.24Å
158I92Very high86.7Confident60 Ų6056.7 Ų56.731%0.30830%0.301SS..EExtended strand (participates in β ladder)trans-124.4123.1175-57.8177.7000108.2T155 H156 E160 V170T155-I158 HydrophobicContact CG2-CB 4.08Å; T155-I158 HydrophobicContact CG2-CD1 4.07Å; T155-I158 HydrophobicContact CG2-CG1 4.35Å; T155-I158 PolarHBondContact O-N 3.11Å; H156-I158 PolarHBondContact O-N 3.07Å; I158-E160 WeakPolarHBondContact CG2-OE1 3.41Å; I158-V170 WeakPolarHBondContact CA-O 3.33Å
159W94.9Very high86.9Confident3 Ų360 Ų601%0.01133%0.325CS..EExtended strand (participates in β ladder)trans-104.3120.1174.7-68.9-7.3000109.7L122 L141 C146 L161 V170 V172 I194 L196L122-W159 HydrophobicContact CD2-CD2 4.44Å; L122-W159 HydrophobicContact CD2-CE3 3.42Å; L122-W159 VanDerWaalsContact CD2-CE3 3.42Å; L122-W159 HydrophobicContact CD2-CH2 4.06Å; L122-W159 HydrophobicContact CD2-CZ3 3.21Å; L141-W159 HydrophobicContact CD1-CE3 4.2Å; L141-W159 HydrophobicContact CD1-CZ3 4.29Å; L141-W159 HydrophobicContact CD2-CZ3 4.46Å; C146-W159 HydrophobicContact CB-CH2 3.64Å; C146-W159 HydrophobicContact CB-CZ2 3.98Å; C146-W159 HydrophobicContact CB-CZ3 4.31Å; W159-L161 HydrophobicContact CB-CD1 4.09Å; W159-L161 HydrophobicContact CB-CG 4.23Å; W159-L161 HydrophobicContact CE3-CD1 4.43Å; W159-L161 PolarHBondContact O-N 3.28Å; W159-V170 PolarHBondContact N-O 2.9Å; W159-V170 PolarHBondContact O-N 3.33Å; W159-V172 HydrophobicContact CD2-CB 4.39Å; W159-V172 HydrophobicContact CD2-CG1 3.7Å; W159-V172 HydrophobicContact CD2-CG2 3.94Å; W159-V172 HydrophobicContact CE3-CG1 3.55Å; W159-V172 HydrophobicContact CG-CG1 4.15Å; W159-V172 HydrophobicContact CG-CG2 4.12Å; W159-V172 HydrophobicContact CH2-CG1 4.48Å; W159-V172 HydrophobicContact CZ2-CG2 4.2Å; W159-V172 HydrophobicContact CZ3-CG1 3.95Å; W159-I194 HydrophobicContact CH2-CG2 4.3Å; W159-I194 HydrophobicContact CZ3-CG2 4.29Å; W159-L196 HydrophobicContact CB-CD2 3.85Å; W159-L196 HydrophobicContact CD2-CB 3.86Å; W159-L196 HydrophobicContact CD2-CD2 4Å; W159-L196 HydrophobicContact CE3-CB 4.21Å; W159-L196 HydrophobicContact CG-CB 4.34Å; W159-L196 HydrophobicContact CG-CD2 3.62Å; W159-L196 HydrophobicContact CH2-CB 4.33Å; W159-L196 HydrophobicContact CZ2-CB 3.97Å; W159-L196 HydrophobicContact CZ3-CB 4.45Å
160E94.2Very high87.2Confident66 Ų6660.8 Ų60.831%0.30833%0.329SS..EExtended strand (participates in β ladder)trans-87105.8174.1-58.9-59.1145.900109.1I158 S169 Q220I158-E160 WeakPolarHBondContact CG2-OE1 3.41Å; E160-S169 WeakPolarHBondContact OE1-CB 3.45Å; E160-S169 PolarHBondContact OE1-OG 2.89Å; E160-S169 WeakPolarHBondContact OE2-CA 3.3Å; E160-S169 WeakPolarHBondContact OE2-CB 3.37Å; E160-S169 PolarHBondContact OE2-OG 3.36Å; E160-Q220 WeakPolarHBondContact O-CB 3.47Å; E160-Q220 WeakPolarHBondContact O-CG 3.35Å; E160-Q220 PolarHBondContact O-NE2 3.25Å
161L96.1Very high87.6Confident1 Ų165 Ų651%0.00535%0.348CS..EExtended strand (participates in β ladder)trans-120.4135.8-173.3-70.7165.1000110.1L122 L138 L141 W159 K167 K168 V170 L196L122-L161 HydrophobicContact CD1-CD1 3.92Å; L122-L161 HydrophobicContact CD1-CD2 4.26Å; L122-L161 HydrophobicContact CD2-CD1 4.49Å; L122-L161 HydrophobicContact CG-CD2 4.28Å; L138-L161 HydrophobicContact CD1-CB 4.47Å; L138-L161 HydrophobicContact CD2-CB 4.23Å; L138-L161 HydrophobicContact CD2-CD1 3.52Å; L138-L161 HydrophobicContact CD2-CG 4.5Å; L141-L161 HydrophobicContact CD1-CD1 4.24Å; W159-L161 HydrophobicContact CB-CD1 4.09Å; W159-L161 HydrophobicContact CB-CG 4.23Å; W159-L161 HydrophobicContact CE3-CD1 4.43Å; W159-L161 PolarHBondContact O-N 3.28Å; L161-K167 CarbonylContact O-C 3.51Å; L161-K168 PolarHBondContact N-O 2.67Å; L161-K168 PolarHBondContact O-N 3.25Å; L161-V170 HydrophobicContact CD1-CG2 4.21Å; L161-L196 HydrophobicContact CD2-CD1 3.93Å; L161-L196 HydrophobicContact CD2-CD2 4.41Å
162G95.1Very high88.3Confident15 Ų1564.1 Ų64.116%0.15534%0.344CS..EExtended strand (participates in β ladder)trans-140.2159.8177.700000113.2E166 Y218 A219G162-E166 WeakPolarHBondContact CA-O 3.2Å; G162-Y218 WeakPolarHBondContact O-CA 3.48Å; G162-A219 PolarHBondContact N-O 3.48Å; G162-A219 PolarHBondContact O-N 3.39Å
163N94.2Very high88.8Confident52 Ų5266.7 Ų66.728%0.27836%0.364SS..  trans-120.418.8-17763.57.9000112.7Q165 E166 E217 Y218N163-Q165 PolarHBondContact O-N 3.11Å; N163-Q165 PolarHBondContact OD1-N 2.79Å; N163-E166 PolarHBondContact N-O 2.82Å; N163-E166 WeakPolarHBondContact OD1-CG 3.35Å; N163-E166 PolarHBondContact OD1-N 2.64Å; N163-E217 VanDerWaalsContact CA-O 3.25Å; N163-E217 WeakPolarHBondContact CA-O 3.42Å; N163-E217 WeakPolarHBondContact CB-O 3.47Å; N163-Y218 HydrophobicContact CB-CD1 4.08Å; N163-Y218 HydrophobicContact CB-CE1 4.1Å
164G88Confident89.6Confident86 Ų8667.5 Ų67.589%0.88738%0.376SS*.SBendtrans83.9-21.9-175.400000114.9
165Q88.1Confident90.6Very high183 Ų18374.6 Ų74.686%0.85541%0.409SS*.SBendtrans-99-36.3176.3-61.4-177.8-13.700112N163N163-Q165 PolarHBondContact O-N 3.11Å; N163-Q165 PolarHBondContact OD1-N 2.79Å
166E91.3Very high91.6Very high79 Ų7973.6 Ų73.637%0.36940%0.4SS..  trans-140.6157.5-178.655.8176.2179.300111.3G162 N163 K168G162-E166 WeakPolarHBondContact CA-O 3.2Å; N163-E166 PolarHBondContact N-O 2.82Å; N163-E166 WeakPolarHBondContact OD1-CG 3.35Å; N163-E166 PolarHBondContact OD1-N 2.64Å; E166-K168 VanDerWaalsContact CD-NZ 3.26Å; E166-K168 VanDerWaalsContact OE1-CE 3.29Å; E166-K168 WeakPolarHBondContact OE1-CE 3.44Å; E166-K168 IonicContact OE1-NZ 2.77Å; E166-K168 PolarHBondContact OE1-NZ 3.45Å; E166-K168 WeakPolarHBondContact OE2-CE 3.35Å; E166-K168 IonicContact OE2-NZ 3.15Å; E166-K168 PolarHBondContact OE2-NZ 3.38Å
167K93.6Very high92.4Very high186 Ų18670.4 Ų70.481%0.80939%0.391SS*.EExtended strand (participates in β ladder)trans-116.5137167.7-67.8-175.1178.8-176.50108.5L161L161-K167 CarbonylContact O-C 3.51Å
168K95.3Very high92.7Very high61 Ų6170.3 Ų70.327%0.26539%0.388SS..EExtended strand (participates in β ladder)trans-131.5128.1-177.7-74.6175.7166.4155.90110.3L138 L161 E166L138-K168 HydrophobicContact CD1-CB 3.97Å; L138-K168 HydrophobicContact CD1-CD 3.64Å; L138-K168 HydrophobicContact CD1-CG 4.43Å; L161-K168 PolarHBondContact N-O 2.67Å; L161-K168 PolarHBondContact O-N 3.25Å; E166-K168 VanDerWaalsContact CD-NZ 3.26Å; E166-K168 VanDerWaalsContact OE1-CE 3.29Å; E166-K168 WeakPolarHBondContact OE1-CE 3.44Å; E166-K168 IonicContact OE1-NZ 2.77Å; E166-K168 PolarHBondContact OE1-NZ 3.45Å; E166-K168 WeakPolarHBondContact OE2-CE 3.35Å; E166-K168 IonicContact OE2-NZ 3.15Å; E166-K168 PolarHBondContact OE2-NZ 3.38Å
169S94.9Very high92.6Very high84 Ų8471 Ų7159%0.58739%0.393SS*.EExtended strand (participates in β ladder)trans-84.6113.5169.7-44.30000109.1E160E160-S169 WeakPolarHBondContact OE1-CB 3.45Å; E160-S169 PolarHBondContact OE1-OG 2.89Å; E160-S169 WeakPolarHBondContact OE2-CA 3.3Å; E160-S169 WeakPolarHBondContact OE2-CB 3.37Å; E160-S169 PolarHBondContact OE2-OG 3.36Å
170V95.1Very high92.5Very high18 Ų1872.3 Ų72.311%0.10940%0.402CS..EExtended strand (participates in β ladder)trans-107115.3-178.6-174.20000109.3L138 L141 I158 W159 L161 V172L138-V170 HydrophobicContact CB-CG2 4Å; L138-V170 HydrophobicContact CD1-CG2 3.91Å; L138-V170 HydrophobicContact CD2-CG2 4.23Å; L138-V170 HydrophobicContact CG-CG2 4.29Å; L141-V170 HydrophobicContact CD1-CG1 4.18Å; I158-V170 WeakPolarHBondContact CA-O 3.33Å; W159-V170 PolarHBondContact N-O 2.9Å; W159-V170 PolarHBondContact O-N 3.33Å; L161-V170 HydrophobicContact CD1-CG2 4.21Å; V170-V172 HydrophobicContact CG1-CG1 4.13Å; V170-V172 PolarHBondContact O-N 3.47Å
171K92.8Very high92.4Very high178 Ų17869.2 Ų69.277%0.77439%0.388SS*.EExtended strand (participates in β ladder)trans-71.3121.9169.2-173.4177.1-178.7178.70108.9G157G157-K171 WeakPolarHBondContact O-CA 3.46Å
172V93.6Very high92.3Very high9 Ų973.2 Ų73.26%0.05541%0.407CS..  trans-112.1155.5178.2-65.40000111.2C146 V148 G157 W159 V170C146-V172 HydrophobicContact CB-CB 3.71Å; C146-V172 HydrophobicContact CB-CG1 4.3Å; C146-V172 HydrophobicContact CB-CG2 4.19Å; V148-V172 HydrophobicContact CG2-CG2 4.09Å; G157-V172 PolarHBondContact O-N 3.24Å; W159-V172 HydrophobicContact CD2-CB 4.39Å; W159-V172 HydrophobicContact CD2-CG1 3.7Å; W159-V172 HydrophobicContact CD2-CG2 3.94Å; W159-V172 HydrophobicContact CE3-CG1 3.55Å; W159-V172 HydrophobicContact CG-CG1 4.15Å; W159-V172 HydrophobicContact CG-CG2 4.12Å; W159-V172 HydrophobicContact CH2-CG1 4.48Å; W159-V172 HydrophobicContact CZ2-CG2 4.2Å; W159-V172 HydrophobicContact CZ3-CG1 3.95Å; V170-V172 HydrophobicContact CG1-CG1 4.13Å; V170-V172 PolarHBondContact O-N 3.47Å
173S87.6Confident92.3Very high67 Ų6776 Ų7647%0.46942%0.417SS..  trans-133.6148.8177.251.50000110.1C146C146-S173 WeakPolarHBondContact CB-O 3.47Å; C146-S173 PolarHBondContact N-O 3.47Å
174G87.1Confident92.4Very high34 Ų3473.5 Ų73.535%0.35140%0.404SS..  trans-176.8162.8173.800000110.5C146 L176C146-G174 WeakPolarHBondContact O-CA 3.31Å; G174-L176 VanDerWaalsContact C-N 3.34Å
175H90.7Very high92.9Very high169 Ų16969.8 Ų69.878%0.78236%0.363SS*.SBendtrans-82.2-14.9-174.5-60.491.8000113.3D145D145-H175 IonicContact OD1-CE1 3.48Å; D145-H175 PolarHBondContact OD1-CE1 3.12Å; D145-H175 IonicContact OD1-CG 3.9Å; D145-H175 IonicContact OD1-ND1 2.75Å; D145-H175 PolarHBondContact OD1-ND1 3.37Å
176L95.5Very high93.4Very high58 Ų5865.3 Ų65.330%0.30434%0.342SS..  trans-118.2131.8-174.2-61.7178.3000111.1L147 V148 G174 W187 K192L147-L176 HydrophobicContact CD2-CB 3.89Å; L147-L176 HydrophobicContact CD2-CD1 3.99Å; L147-L176 HydrophobicContact CD2-CG 4.46Å; V148-L176 PolarHBondContact N-O 3.39Å; G174-L176 VanDerWaalsContact C-N 3.34Å; L176-W187 HydrophobicContact CB-CD2 4.32Å; L176-W187 HydrophobicContact CB-CE3 3.76Å; L176-W187 HydrophobicContact CB-CH2 4.27Å; L176-W187 HydrophobicContact CB-CZ3 3.74Å; L176-W187 HydrophobicContact CD1-CB 4.39Å; L176-W187 HydrophobicContact CD1-CD2 3.94Å; L176-W187 HydrophobicContact CD1-CE3 4.2Å; L176-W187 HydrophobicContact CD1-CG 4.04Å; L176-K192 HydrophobicContact CD1-CB 3.92Å; L176-K192 HydrophobicContact CD1-CG 4.26Å
177S94.3Very high93.7Very high53 Ų5364.3 Ų64.337%0.37134%0.335SS..EExtended strand (participates in β ladder)trans-146.7148173.268.40000111V148 K150V148-S177 WeakPolarHBondContact O-CA 3.38Å; V148-S177 WeakPolarHBondContact O-CB 3.13Å; K150-S177 VanDerWaalsContact CE-OG 3.25Å; K150-S177 WeakPolarHBondContact CE-OG 3.24Å; K150-S177 PolarHBondContact NZ-OG 2.84Å
178S93.3Very high94Very high14 Ų1455.5 Ų55.510%0.09830%0.297CS..EExtended strand (participates in β ladder)trans-153.5147.9-179.6-178.50000110.7V148 T149 K150 S180V148-S178 PolarHBondContact O-N 3.04Å; V148-S178 VanDerWaalsContact O-N 3.14Å; T149-S178 CarbonylContact C-O 3.55Å; T149-S178 WeakPolarHBondContact CA-O 3.46Å; K150-S178 PolarHBondContact N-O 3.38Å; S178-S180 PolarHBondContact OG-N 3.22Å; S178-S180 VanDerWaalsContact OG-N 3.09Å; S178-S180 PolarHBondContact OG-O 3.44Å
179N89.8Confident94.1Very high76 Ų7654.2 Ų54.241%0.40629%0.293SS..SBendtrans-79.5-1.216963.9-23.6000113D86 K150 E151D86-N179 HydrophobicContact CB-CB 4.46Å; D86-N179 PolarHBondContact OD2-ND2 2.94Å; K150-N179 HydrophobicContact CB-CB 4.4Å; K150-N179 WeakPolarHBondContact O-CA 3.46Å; K150-N179 WeakPolarHBondContact O-CB 3.24Å; E151-N179 WeakPolarHBondContact CG-O 3.46Å
180S91.7Very high94.3Very high29 Ų2955.5 Ų55.520%0.20329%0.29CS..  trans-111.3114.7174171.80000110.4S178 E182 I183 V184S178-S180 PolarHBondContact OG-N 3.22Å; S178-S180 VanDerWaalsContact OG-N 3.09Å; S178-S180 PolarHBondContact OG-O 3.44Å; S180-E182 PolarHBondContact O-N 2.91Å; S180-E182 PolarHBondContact OG-N 3.21Å; S180-I183 WeakPolarHBondContact O-CB 3.4Å; S180-I183 PolarHBondContact O-N 3.12Å; S180-I183 PolarHBondContact OG-N 2.89Å; S180-V184 PolarHBondContact O-N 3.08Å
181G92.2Very high94.4Very high1 Ų155.1 Ų55.11%0.0129%0.289CS..Hα-helixtrans-69-19174.800000114.6E151 I183 V184 L185E151-G181 WeakPolarHBondContact OE1-CA 3.33Å; E151-G181 PolarHBondContact OE1-N 2.92Å; G181-I183 VanDerWaalsContact C-N 3.33Å; G181-V184 PolarHBondContact O-N 2.91Å; G181-L185 VanDerWaalsContact O-CB 3.26Å; G181-L185 WeakPolarHBondContact O-CB 3.35Å; G181-L185 PolarHBondContact O-N 3.38Å
182E94.2Very high94.7Very high86 Ų8651.4 Ų51.440%0.40227%0.273SS..Hα-helixtrans-66.1-39.6170.8-169171.6-154.300110.3R61 S180 L185 Q186R61-E182 IonicContact CZ-OE1 3.71Å; R61-E182 VanDerWaalsContact CZ-OE1 3.22Å; R61-E182 IonicContact CZ-OE2 2.65Å; R61-E182 VanDerWaalsContact NH1-CD 3.32Å; R61-E182 IonicContact NH1-OE1 2.83Å; R61-E182 PolarHBondContact NH1-OE1 3.44Å; R61-E182 IonicContact NH1-OE2 3.09Å; R61-E182 PolarHBondContact NH1-OE2 3.48Å; R61-E182 IonicContact NH2-OE1 2.71Å; R61-E182 PolarHBondContact NH2-OE1 3.47Å; S180-E182 PolarHBondContact O-N 2.91Å; S180-E182 PolarHBondContact OG-N 3.21Å; E182-L185 PolarHBondContact O-N 3.01Å; E182-Q186 WeakPolarHBondContact O-CG 3.32Å; E182-Q186 PolarHBondContact O-N 2.74Å
183I96.1Very high94.9Very high72 Ų7251 Ų5137%0.36927%0.27SS..Hα-helixtrans-65.5-45.1173.4-65.9177.6000110.7S180 G181 L185 Q186 W187S180-I183 WeakPolarHBondContact O-CB 3.4Å; S180-I183 PolarHBondContact O-N 3.12Å; S180-I183 PolarHBondContact OG-N 2.89Å; G181-I183 VanDerWaalsContact C-N 3.33Å; I183-L185 VanDerWaalsContact C-N 3.32Å; I183-L185 PolarHBondContact O-N 3.44Å; I183-Q186 PolarHBondContact O-N 3.46Å; I183-W187 HydrophobicContact CG2-CD2 3.87Å; I183-W187 VanDerWaalsContact CG2-CE2 3.46Å; I183-W187 HydrophobicContact CG2-CE3 4.07Å; I183-W187 HydrophobicContact CG2-CH2 3.58Å; I183-W187 HydrophobicContact CG2-CZ2 3.33Å; I183-W187 HydrophobicContact CG2-CZ3 3.93Å; I183-W187 PolarHBondContact O-N 3.45Å
184V96.3Very high95.4Very high0 Ų047.8 Ų47.80%025%0.248CC..Hα-helixtrans-61.2-41.6178173.90000111.5L147 S180 G181 W187 A188 M195L147-V184 HydrophobicContact CB-CG1 3.78Å; S180-V184 PolarHBondContact O-N 3.08Å; G181-V184 PolarHBondContact O-N 2.91Å; V184-W187 HydrophobicContact CG2-CE3 4.37Å; V184-W187 HydrophobicContact CG2-CZ3 4.38Å; V184-W187 PolarHBondContact O-N 2.89Å; V184-A188 PolarHBondContact O-N 3.16Å; V184-M195 HydrophobicContact CG1-CB 3.83Å; V184-M195 HydrophobicContact CG1-SD 4.31Å
185L97.5Very high95.9Very high8 Ų846.1 Ų46.14%0.04223%0.231CC..Hα-helixtrans-60.4-45.4174.3173.162.6000111.5G181 E182 I183 W187 A188 L189 M195 V202 F205 L211G181-L185 VanDerWaalsContact O-CB 3.26Å; G181-L185 WeakPolarHBondContact O-CB 3.35Å; G181-L185 PolarHBondContact O-N 3.38Å; E182-L185 PolarHBondContact O-N 3.01Å; I183-L185 VanDerWaalsContact C-N 3.32Å; I183-L185 PolarHBondContact O-N 3.44Å; L185-W187 PolarHBondContact O-N 3.13Å; L185-A188 WeakPolarHBondContact O-CB 3.37Å; L185-A188 PolarHBondContact O-N 3.17Å; L185-L189 HydrophobicContact CD1-CD1 4.12Å; L185-L189 HydrophobicContact CD1-CG 4.25Å; L185-L189 HydrophobicContact CG-CD1 4.06Å; L185-L189 WeakPolarHBondContact O-CG 3.13Å; L185-L189 PolarHBondContact O-N 3.31Å; L185-M195 HydrophobicContact CB-SD 4.48Å; L185-M195 HydrophobicContact CD1-CE 3.63Å; L185-M195 HydrophobicContact CD1-SD 4.31Å; L185-V202 HydrophobicContact CD1-CG1 4.36Å; L185-F205 HydrophobicContact CD1-CD2 4.18Å; L185-F205 HydrophobicContact CD1-CE2 4.25Å; L185-F205 HydrophobicContact CD2-CE2 3.83Å; L185-F205 HydrophobicContact CD2-CZ 4.34Å; L185-F205 HydrophobicContact CG-CE2 4.49Å; L185-L211 HydrophobicContact CD1-CD1 4.04Å
186Q98.3Very high96.2Very high89 Ų8938.2 Ų38.242%0.41620%0.195SC..Hα-helixtrans-61.2-44.8176.5-70-54-4900111.9E182 I183 A188 L189 E190E182-Q186 WeakPolarHBondContact O-CG 3.32Å; E182-Q186 PolarHBondContact O-N 2.74Å; I183-Q186 PolarHBondContact O-N 3.46Å; Q186-A188 VanDerWaalsContact C-N 3.29Å; Q186-A188 PolarHBondContact O-N 3.16Å; Q186-L189 PolarHBondContact O-N 3.49Å; Q186-E190 WeakPolarHBondContact O-CG 3.24Å; Q186-E190 PolarHBondContact O-N 3.17Å
187W98.5Very high96.2Very high59 Ų5935.8 Ų35.822%0.22318%0.182CC..Hα-helixtrans-61.1-37.4174.7-66.3-25.7000112.9L147 L176 I183 V184 L185 E190 G191 K192L147-W187 HydrophobicContact CD1-CB 3.9Å; L147-W187 HydrophobicContact CD2-CB 4.32Å; L176-W187 HydrophobicContact CB-CD2 4.32Å; L176-W187 HydrophobicContact CB-CE3 3.76Å; L176-W187 HydrophobicContact CB-CH2 4.27Å; L176-W187 HydrophobicContact CB-CZ3 3.74Å; L176-W187 HydrophobicContact CD1-CB 4.39Å; L176-W187 HydrophobicContact CD1-CD2 3.94Å; L176-W187 HydrophobicContact CD1-CE3 4.2Å; L176-W187 HydrophobicContact CD1-CG 4.04Å; I183-W187 HydrophobicContact CG2-CD2 3.87Å; I183-W187 VanDerWaalsContact CG2-CE2 3.46Å; I183-W187 HydrophobicContact CG2-CE3 4.07Å; I183-W187 HydrophobicContact CG2-CH2 3.58Å; I183-W187 HydrophobicContact CG2-CZ2 3.33Å; I183-W187 HydrophobicContact CG2-CZ3 3.93Å; I183-W187 PolarHBondContact O-N 3.45Å; V184-W187 HydrophobicContact CG2-CE3 4.37Å; V184-W187 HydrophobicContact CG2-CZ3 4.38Å; V184-W187 PolarHBondContact O-N 2.89Å; L185-W187 PolarHBondContact O-N 3.13Å; W187-E190 PolarHBondContact O-N 2.82Å; W187-G191 PolarHBondContact O-N 3.33Å; W187-K192 HydrophobicContact CB-CB 4.12Å; W187-K192 HydrophobicContact CB-CG 4.13Å; W187-K192 VanDerWaalsContact O-CB 3.22Å; W187-K192 WeakPolarHBondContact O-CB 3.31Å; W187-K192 VanDerWaalsContact O-CG 3.25Å; W187-K192 WeakPolarHBondContact O-CG 3.4Å; W187-K192 PolarHBondContact O-N 2.6Å
188A98.6Very high96.3Very high0 Ų033.4 Ų33.40%017%0.165CC..Hα-helixtrans-63.1-45.9174.900000111A125 L147 V184 L185 Q186 E190 G191 M195 L211A125-A188 WeakPolarHBondContact CB-O 3.46Å; L147-A188 HydrophobicContact CD1-CB 3.84Å; V184-A188 PolarHBondContact O-N 3.16Å; L185-A188 WeakPolarHBondContact O-CB 3.37Å; L185-A188 PolarHBondContact O-N 3.17Å; Q186-A188 VanDerWaalsContact C-N 3.29Å; Q186-A188 PolarHBondContact O-N 3.16Å; A188-E190 VanDerWaalsContact C-N 3.28Å; A188-E190 PolarHBondContact O-N 3.41Å; A188-G191 PolarHBondContact O-N 2.89Å; A188-M195 HydrophobicContact CB-CB 4.39Å; A188-M195 HydrophobicContact CB-CE 3.84Å; A188-M195 HydrophobicContact CB-CG 3.95Å; A188-M195 HydrophobicContact CB-SD 3.69Å; A188-L211 HydrophobicContact CB-CD2 4.18Å
189L98.7Very high96.4Very high34 Ų3435.8 Ų35.818%0.17818%0.175CC..Hα-helixtrans-63.9-30.1176.6-68.8167.9000113L185 Q186 G191 F205 K210 L211L185-L189 HydrophobicContact CD1-CD1 4.12Å; L185-L189 HydrophobicContact CD1-CG 4.25Å; L185-L189 HydrophobicContact CG-CD1 4.06Å; L185-L189 WeakPolarHBondContact O-CG 3.13Å; L185-L189 PolarHBondContact O-N 3.31Å; Q186-L189 PolarHBondContact O-N 3.49Å; L189-G191 PolarHBondContact O-N 3.04Å; L189-F205 HydrophobicContact CD1-CD1 3.93Å; L189-F205 HydrophobicContact CD1-CE1 3.68Å; L189-F205 HydrophobicContact CD1-CZ 4.08Å; L189-F205 HydrophobicContact CD2-CB 4.11Å; L189-F205 HydrophobicContact CD2-CD1 3.54Å; L189-F205 HydrophobicContact CD2-CE1 4.16Å; L189-F205 HydrophobicContact CD2-CG 3.93Å; L189-F205 HydrophobicContact CG-CD1 4.38Å; L189-K210 HydrophobicContact CD2-CB 3.83Å; L189-L211 HydrophobicContact CD2-CD1 4.33Å; L189-L211 HydrophobicContact CD2-CD2 4.05Å; L189-L211 HydrophobicContact CD2-CG 3.83Å
190E98.4Very high96.7Very high112 Ų11233.7 Ų33.752%0.52316%0.161SC..THydrogen-bonded Turntrans-80.26.7173-69.5175-170.400113.6Q186 W187 A188 K192Q186-E190 WeakPolarHBondContact O-CG 3.24Å; Q186-E190 PolarHBondContact O-N 3.17Å; W187-E190 PolarHBondContact O-N 2.82Å; A188-E190 VanDerWaalsContact C-N 3.28Å; A188-E190 PolarHBondContact O-N 3.41Å; E190-K192 HydrophobicContact CB-CD 4.47Å; E190-K192 HydrophobicContact CB-CG 4.08Å; E190-K192 WeakPolarHBondContact OE2-CE 3.47Å
191G98.2Very high96.9Very high10 Ų1033.5 Ų33.510%0.10316%0.158CC..THydrogen-bonded Turntrans67.135.8178.600000113.8Y128 W187 A188 L189Y128-G191 WeakPolarHBondContact CD2-O 3.29Å; W187-G191 PolarHBondContact O-N 3.33Å; A188-G191 PolarHBondContact O-N 2.89Å; L189-G191 PolarHBondContact O-N 3.04Å
192K98.1Very high97.2Very high99 Ų9933.4 Ų33.443%0.4316%0.157SC..  trans-89.2-11.5-179.8-54.4-54.5-176.7-165.60114.7D145 L147 L176 W187 E190D145-K192 WeakPolarHBondContact CB-O 3.45Å; L147-K192 HydrophobicContact CD2-CB 4.17Å; L176-K192 HydrophobicContact CD1-CB 3.92Å; L176-K192 HydrophobicContact CD1-CG 4.26Å; W187-K192 HydrophobicContact CB-CB 4.12Å; W187-K192 HydrophobicContact CB-CG 4.13Å; W187-K192 VanDerWaalsContact O-CB 3.22Å; W187-K192 WeakPolarHBondContact O-CB 3.31Å; W187-K192 VanDerWaalsContact O-CG 3.25Å; W187-K192 WeakPolarHBondContact O-CG 3.4Å; W187-K192 PolarHBondContact O-N 2.6Å; E190-K192 HydrophobicContact CB-CD 4.47Å; E190-K192 HydrophobicContact CB-CG 4.08Å; E190-K192 WeakPolarHBondContact OE2-CE 3.47Å
193G98.3Very high97.3Very high0 Ų033 Ų330%016%0.157CC..  trans165.9-173.4-176.700000115.1D145D145-G193 CarbonylContact O-C 3.55Å; D145-G193 WeakPolarHBondContact O-CA 3.3Å
194I98.6Very high97.4Very high0 Ų033 Ų330%016%0.162CC..EExtended strand (participates in β ladder)trans-93.1134171.2-57.6175.7000108.3L122 C123 A124 Y128 P135 L141 H144 D145 C146 L147 W159 V214L122-I194 HydrophobicContact CB-CG2 4.41Å; L122-I194 HydrophobicContact CD2-CG2 4.18Å; C123-I194 WeakPolarHBondContact O-CA 3.45Å; A124-I194 HydrophobicContact CB-CG1 4.09Å; Y128-I194 HydrophobicContact CD1-CG1 4.37Å; Y128-I194 HydrophobicContact CE1-CD1 4.33Å; Y128-I194 HydrophobicContact CE1-CG1 3.76Å; P135-I194 HydrophobicContact CG-CD1 3.85Å; L141-I194 HydrophobicContact CD2-CD1 3.82Å; L141-I194 HydrophobicContact CD2-CG2 4.34Å; H144-I194 HydrophobicContact CB-CD1 3.71Å; H144-I194 HydrophobicContact CB-CG1 4.34Å; D145-I194 PolarHBondContact O-N 2.92Å; C146-I194 CarbonylContact C-O 3.56Å; C146-I194 WeakPolarHBondContact CA-O 3.45Å; L147-I194 PolarHBondContact N-O 2.97Å; W159-I194 HydrophobicContact CH2-CG2 4.3Å; W159-I194 HydrophobicContact CZ3-CG2 4.29Å; I194-V214 HydrophobicContact CD1-CG2 4.43Å; I194-V214 HydrophobicContact CG2-CG2 3.91Å
195M97.4Very high97.5Very high0 Ų035.4 Ų35.40%017%0.172CC..EExtended strand (participates in β ladder)trans-116.9157.1171.671.8172.216700111.7L122 C123 L147 V184 L185 A188 R197 V202 L211L122-M195 VanDerWaalsContact CA-O 3.3Å; L122-M195 WeakPolarHBondContact CA-O 3.2Å; C123-M195 HydrophobicContact CB-CE 4.05Å; C123-M195 PolarHBondContact N-O 3.32Å; C123-M195 PolarHBondContact O-N 2.88Å; L147-M195 HydrophobicContact CB-CB 4.26Å; L147-M195 HydrophobicContact CD1-CB 4.43Å; V184-M195 HydrophobicContact CG1-CB 3.83Å; V184-M195 HydrophobicContact CG1-SD 4.31Å; L185-M195 HydrophobicContact CB-SD 4.48Å; L185-M195 HydrophobicContact CD1-CE 3.63Å; L185-M195 HydrophobicContact CD1-SD 4.31Å; A188-M195 HydrophobicContact CB-CB 4.39Å; A188-M195 HydrophobicContact CB-CE 3.84Å; A188-M195 HydrophobicContact CB-CG 3.95Å; A188-M195 HydrophobicContact CB-SD 3.69Å; M195-R197 HydrophobicContact CE-CB 4.07Å; M195-R197 HydrophobicContact CE-CG 4.47Å; M195-R197 HydrophobicContact CG-CB 4.17Å; M195-R197 HydrophobicContact SD-CB 3.71Å; M195-R197 HydrophobicContact SD-CG 4.14Å; M195-V202 HydrophobicContact CE-CG1 3.44Å; M195-V202 VanDerWaalsContact CE-CG1 3.44Å; M195-L211 HydrophobicContact CE-CD1 3.43Å; M195-L211 VanDerWaalsContact CE-CD1 3.43Å; M195-L211 HydrophobicContact CE-CD2 4.45Å
196L96.7Very high97.5Very high2 Ų236.9 Ų36.91%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-106.6113.2164.9179.962.3000108.8R120 I121 L122 M154 W159 L161 Q220R120-L196 HydrophobicContact CB-CD1 3.66Å; R120-L196 HydrophobicContact CB-CG 3.84Å; I121-L196 WeakPolarHBondContact O-CA 3.35Å; L122-L196 HydrophobicContact CD2-CB 4.07Å; L122-L196 HydrophobicContact CD2-CD1 4.03Å; L122-L196 HydrophobicContact CG-CD1 4.25Å; M154-L196 HydrophobicContact CE-CD2 4.24Å; W159-L196 HydrophobicContact CB-CD2 3.85Å; W159-L196 HydrophobicContact CD2-CB 3.86Å; W159-L196 HydrophobicContact CD2-CD2 4Å; W159-L196 HydrophobicContact CE3-CB 4.21Å; W159-L196 HydrophobicContact CG-CB 4.34Å; W159-L196 HydrophobicContact CG-CD2 3.62Å; W159-L196 HydrophobicContact CH2-CB 4.33Å; W159-L196 HydrophobicContact CZ2-CB 3.97Å; W159-L196 HydrophobicContact CZ3-CB 4.45Å; L161-L196 HydrophobicContact CD2-CD1 3.93Å; L161-L196 HydrophobicContact CD2-CD2 4.41Å; L196-Q220 HydrophobicContact CD2-CB 4.31Å
197R95.8Very high97.5Very high7 Ų739.7 Ų39.73%0.02619%0.193CC..EExtended strand (participates in β ladder)trans-142.3149.4-172.1-168.365179.9166.1-6.4112.4R120 I121 E151 M195 E199 D201 V202R120-R197 CarbonylContact C-O 3.6Å; R120-R197 WeakPolarHBondContact CA-O 2.83Å; I121-R197 PolarHBondContact N-O 2.98Å; I121-R197 PolarHBondContact O-N 3.41Å; E151-R197 VanDerWaalsContact CD-NH1 3.29Å; E151-R197 IonicContact OE1-CZ 2.61Å; E151-R197 IonicContact OE1-NH1 3.27Å; E151-R197 PolarHBondContact OE1-NH1 2.84Å; E151-R197 IonicContact OE1-NH2 3.18Å; E151-R197 IonicContact OE2-NH1 3.8Å; E151-R197 PolarHBondContact OE2-NH1 3.01Å; M195-R197 HydrophobicContact CE-CB 4.07Å; M195-R197 HydrophobicContact CE-CG 4.47Å; M195-R197 HydrophobicContact CG-CB 4.17Å; M195-R197 HydrophobicContact SD-CB 3.71Å; M195-R197 HydrophobicContact SD-CG 4.14Å; R197-E199 PolarHBondContact O-N 3.28Å; R197-D201 HydrophobicContact CG-CB 4.23Å; R197-D201 IonicContact CZ-OD2 2.66Å; R197-D201 IonicContact NE-OD2 3.87Å; R197-D201 PolarHBondContact NE-OD2 2.97Å; R197-D201 IonicContact NH2-OD2 3.75Å; R197-D201 PolarHBondContact NH2-OD2 2.88Å; R197-V202 HydrophobicContact CB-CG1 3.68Å; R197-V202 HydrophobicContact CG-CG1 3.6Å
198S95.7Very high97.5Very high4 Ų440.2 Ų40.23%0.02821%0.206CC..EExtended strand (participates in β ladder)trans-55.5134.9177.4-60.80000111.5K119 W200 D201 V202K119-S198 WeakPolarHBondContact O-CA 3.32Å; S198-W200 VanDerWaalsContact C-N 3.29Å; S198-W200 PolarHBondContact O-N 2.88Å; S198-D201 PolarHBondContact O-N 2.78Å; S198-V202 PolarHBondContact O-N 3.05Å
199E95.9Very high97.5Very high63 Ų6342.2 Ų42.229%0.29423%0.226SC..Hα-helixtrans-56.8-41.9-176.5-174.9174.1-11700112K119 I121 R197 D201 V202 L203K119-E199 WeakPolarHBondContact CE-OE1 3.41Å; K119-E199 WeakPolarHBondContact CE-OE2 3.11Å; K119-E199 HydrophobicContact CG-CB 4.36Å; K119-E199 IonicContact NZ-OE1 3.84Å; K119-E199 PolarHBondContact NZ-OE1 3.2Å; K119-E199 IonicContact NZ-OE2 2.88Å; K119-E199 PolarHBondContact O-N 2.88Å; I121-E199 HydrophobicContact CD1-CB 4.47Å; I121-E199 HydrophobicContact CD1-CG 4.27Å; R197-E199 PolarHBondContact O-N 3.28Å; E199-D201 PolarHBondContact O-N 3.43Å; E199-D201 VanDerWaalsContact O-N 3.11Å; E199-V202 PolarHBondContact O-N 3.17Å; E199-L203 WeakPolarHBondContact O-CB 3.39Å; E199-L203 PolarHBondContact O-N 2.94Å
200W95.2Very high97.5Very high32 Ų3246.5 Ų46.512%0.12124%0.244CC..Hα-helixtrans-57.8-27.3178.363.4-105.4000114F59 H63 I102 N118 S198 L253F59-W200 HydrophobicContact CB-CH2 3.99Å; F59-W200 HydrophobicContact CB-CZ2 3.73Å; F59-W200 HydrophobicContact CD2-CD2 4.07Å; F59-W200 AromaticContact CD2-CE2 3.65Å; F59-W200 HydrophobicContact CD2-CE3 4.45Å; F59-W200 HydrophobicContact CD2-CH2 4.27Å; F59-W200 AromaticContact CD2-CZ2 3.78Å; F59-W200 HydrophobicContact CD2-CZ2 3.78Å; F59-W200 AromaticContact CD2-NE1 3.88Å; F59-W200 HydrophobicContact CG-CZ2 4.24Å; H63-W200 AromaticContact CD2-CE3 3.94Å; H63-W200 AromaticContact NE2-CE3 3.63Å; I102-W200 HydrophobicContact CD1-CZ2 4.25Å; N118-W200 VanDerWaalsContact OD1-CD1 3.3Å; S198-W200 VanDerWaalsContact C-N 3.29Å; S198-W200 PolarHBondContact O-N 2.88Å; W200-L253 HydrophobicContact CB-CD2 3.96Å
201D96.7Very high97.5Very high25 Ų2541.3 Ų41.313%0.13422%0.219CC..Hα-helixtrans-87-30.2-177-15927.1000111.7R197 S198 E199R197-D201 HydrophobicContact CG-CB 4.23Å; R197-D201 IonicContact CZ-OD2 2.66Å; R197-D201 IonicContact NE-OD2 3.87Å; R197-D201 PolarHBondContact NE-OD2 2.97Å; R197-D201 IonicContact NH2-OD2 3.75Å; R197-D201 PolarHBondContact NH2-OD2 2.88Å; S198-D201 PolarHBondContact O-N 2.78Å; E199-D201 PolarHBondContact O-N 3.43Å; E199-D201 VanDerWaalsContact O-N 3.11Å
202V97.9Very high97.5Very high0 Ų043.3 Ų43.30%023%0.23CC..Hα-helixtrans-98.6-17.2-174.1-59.40000113.8I121 L185 M195 R197 S198 E199 F205 L206 L211I121-V202 HydrophobicContact CD1-CG2 3.79Å; I121-V202 HydrophobicContact CG1-CG2 3.99Å; L185-V202 HydrophobicContact CD1-CG1 4.36Å; M195-V202 HydrophobicContact CE-CG1 3.44Å; M195-V202 VanDerWaalsContact CE-CG1 3.44Å; R197-V202 HydrophobicContact CB-CG1 3.68Å; R197-V202 HydrophobicContact CG-CG1 3.6Å; S198-V202 PolarHBondContact O-N 3.05Å; E199-V202 PolarHBondContact O-N 3.17Å; V202-F205 WeakPolarHBondContact O-CA 3.43Å; V202-F205 WeakPolarHBondContact O-CB 3.2Å; V202-F205 PolarHBondContact O-N 3.12Å; V202-L206 HydrophobicContact CG2-CD1 4Å; V202-L206 PolarHBondContact O-N 3.43Å; V202-L211 HydrophobicContact CB-CD1 4.14Å; V202-L211 HydrophobicContact CG1-CD1 4.2Å
203L96.7Very high97.6Very high77 Ų7741.4 Ų41.440%0.40322%0.222SC..Hα-helixtrans-52.1-46.8-174.3-171.368.3000113.7E199 F205 L206 E207E199-L203 WeakPolarHBondContact O-CB 3.39Å; E199-L203 PolarHBondContact O-N 2.94Å; L203-F205 PolarHBondContact O-N 3.03Å; L203-F205 VanDerWaalsContact O-N 3.16Å; L203-L206 WeakPolarHBondContact O-CB 3.4Å; L203-L206 PolarHBondContact O-N 2.93Å; L203-L206 VanDerWaalsContact O-N 3.12Å; L203-E207 WeakPolarHBondContact O-CG 3.47Å; L203-E207 PolarHBondContact O-N 3.37Å
204P97.3Very high97.6Very high72 Ų7241.4 Ų41.447%0.46822%0.222SC..Hα-helixtrans-62.4-27.4178.7-22.935.1000113.8S208P204-S208 WeakPolarHBondContact O-CB 3.38Å; P204-S208 PolarHBondContact O-N 3.24Å; P204-S208 VanDerWaalsContact O-N 3.14Å; P204-S208 PolarHBondContact O-OG 2.95Å
205F98.6Very high97.5Very high50 Ų5041.6 Ų41.622%0.21922%0.223CC..Hα-helixtrans-83.6-29.2179-57.1-77.9000112.2L185 L189 V202 L203 S208 G209 K210 L211L185-F205 HydrophobicContact CD1-CD2 4.18Å; L185-F205 HydrophobicContact CD1-CE2 4.25Å; L185-F205 HydrophobicContact CD2-CE2 3.83Å; L185-F205 HydrophobicContact CD2-CZ 4.34Å; L185-F205 HydrophobicContact CG-CE2 4.49Å; L189-F205 HydrophobicContact CD1-CD1 3.93Å; L189-F205 HydrophobicContact CD1-CE1 3.68Å; L189-F205 HydrophobicContact CD1-CZ 4.08Å; L189-F205 HydrophobicContact CD2-CB 4.11Å; L189-F205 HydrophobicContact CD2-CD1 3.54Å; L189-F205 HydrophobicContact CD2-CE1 4.16Å; L189-F205 HydrophobicContact CD2-CG 3.93Å; L189-F205 HydrophobicContact CG-CD1 4.38Å; V202-F205 WeakPolarHBondContact O-CA 3.43Å; V202-F205 WeakPolarHBondContact O-CB 3.2Å; V202-F205 PolarHBondContact O-N 3.12Å; L203-F205 PolarHBondContact O-N 3.03Å; L203-F205 VanDerWaalsContact O-N 3.16Å; F205-S208 WeakPolarHBondContact CA-OG 3.43Å; F205-S208 PolarHBondContact O-OG 3.43Å; F205-G209 PolarHBondContact O-N 2.87Å; F205-K210 HydrophobicContact CB-CB 4.32Å; F205-K210 HydrophobicContact CD1-CB 4.39Å; F205-K210 HydrophobicContact CD1-CD 4.11Å; F205-K210 PolarHBondContact O-N 3.05Å; F205-L211 HydrophobicContact CB-CB 4.16Å; F205-L211 HydrophobicContact CB-CD1 3.74Å; F205-L211 HydrophobicContact CB-CG 3.82Å; F205-L211 HydrophobicContact CG-CD1 4.44Å; F205-L211 PolarHBondContact O-N 2.85Å
206L98.5Very high97.5Very high39 Ų3945.3 Ų45.320%0.20425%0.247CC..Hα-helixtrans-67.2-46.8168.5-65.8173.5000110.5I121 V202 L203 S208 G209 L211 Q213I121-L206 HydrophobicContact CD1-CD1 3.73Å; V202-L206 HydrophobicContact CG2-CD1 4Å; V202-L206 PolarHBondContact O-N 3.43Å; L203-L206 WeakPolarHBondContact O-CB 3.4Å; L203-L206 PolarHBondContact O-N 2.93Å; L203-L206 VanDerWaalsContact O-N 3.12Å; L206-S208 VanDerWaalsContact C-N 3.32Å; L206-S208 PolarHBondContact O-N 3.37Å; L206-G209 PolarHBondContact O-N 3.38Å; L206-G209 VanDerWaalsContact O-N 3.08Å; L206-L211 HydrophobicContact CD2-CB 3.9Å; L206-Q213 HydrophobicContact CD2-CB 4.21Å
207E98.2Very high97.5Very high148 Ų14849.7 Ų49.769%0.69227%0.268SS*.Hα-helixtrans-61.6-38.7178.5-71.1174.4167.700112.7L203 G209L203-E207 WeakPolarHBondContact O-CG 3.47Å; L203-E207 PolarHBondContact O-N 3.37Å; E207-G209 VanDerWaalsContact C-N 3.29Å; E207-G209 PolarHBondContact O-N 2.92Å
208S98.3Very high97.6Very high71 Ų7150.7 Ų50.750%0.49727%0.272SS..THydrogen-bonded Turntrans-82.5-1.9176.757.60000114.3P204 F205 L206 K210P204-S208 WeakPolarHBondContact O-CB 3.38Å; P204-S208 PolarHBondContact O-N 3.24Å; P204-S208 VanDerWaalsContact O-N 3.14Å; P204-S208 PolarHBondContact O-OG 2.95Å; F205-S208 WeakPolarHBondContact CA-OG 3.43Å; F205-S208 PolarHBondContact O-OG 3.43Å; L206-S208 VanDerWaalsContact C-N 3.32Å; L206-S208 PolarHBondContact O-N 3.37Å; S208-K210 PolarHBondContact O-N 3.07Å
209G98.4Very high97.7Very high41 Ų4151.8 Ų51.842%0.42328%0.281SS..THydrogen-bonded Turntrans71.68.9-178.900000115.2P126 F205 L206 E207 L211P126-G209 VanDerWaalsContact CG-O 3.26Å; P126-G209 WeakPolarHBondContact CG-O 3.33Å; F205-G209 PolarHBondContact O-N 2.87Å; L206-G209 PolarHBondContact O-N 3.38Å; L206-G209 VanDerWaalsContact O-N 3.08Å; E207-G209 VanDerWaalsContact C-N 3.29Å; E207-G209 PolarHBondContact O-N 2.92Å; G209-L211 VanDerWaalsContact C-N 3.28Å
210K98.7Very high97.6Very high124 Ų12449.9 Ų49.954%0.53927%0.272SS..SBendtrans-73.4-22.2174.5-69-178.5177.3179.50112.6P126 L189 F205 S208P126-K210 WeakPolarHBondContact CD-O 3.46Å; L189-K210 HydrophobicContact CD2-CB 3.83Å; F205-K210 HydrophobicContact CB-CB 4.32Å; F205-K210 HydrophobicContact CD1-CB 4.39Å; F205-K210 HydrophobicContact CD1-CD 4.11Å; F205-K210 PolarHBondContact O-N 3.05Å; S208-K210 PolarHBondContact O-N 3.07Å
211L98.8Very high97.6Very high3 Ų350.7 Ų50.72%0.01628%0.283CS..SBendtrans-126152.1168.9-68.7178.2000109.4C123 A125 L185 A188 L189 M195 V202 F205 L206 G209C123-L211 HydrophobicContact CB-CB 4.41Å; C123-L211 HydrophobicContact CB-CD1 4.23Å; A125-L211 HydrophobicContact CB-CD2 4.36Å; L185-L211 HydrophobicContact CD1-CD1 4.04Å; A188-L211 HydrophobicContact CB-CD2 4.18Å; L189-L211 HydrophobicContact CD2-CD1 4.33Å; L189-L211 HydrophobicContact CD2-CD2 4.05Å; L189-L211 HydrophobicContact CD2-CG 3.83Å; M195-L211 HydrophobicContact CE-CD1 3.43Å; M195-L211 VanDerWaalsContact CE-CD1 3.43Å; M195-L211 HydrophobicContact CE-CD2 4.45Å; V202-L211 HydrophobicContact CB-CD1 4.14Å; V202-L211 HydrophobicContact CG1-CD1 4.2Å; F205-L211 HydrophobicContact CB-CB 4.16Å; F205-L211 HydrophobicContact CB-CD1 3.74Å; F205-L211 HydrophobicContact CB-CG 3.82Å; F205-L211 HydrophobicContact CG-CD1 4.44Å; F205-L211 PolarHBondContact O-N 2.85Å; L206-L211 HydrophobicContact CD2-CB 3.9Å; G209-L211 VanDerWaalsContact C-N 3.28Å
212V98.6Very high97.4Very high53 Ų5349.5 Ų49.532%0.32128%0.276SS..EExtended strand (participates in β ladder)trans-121.9129.9171.4178.90000107.3C123 A124 P126 L129C123-V212 WeakPolarHBondContact CA-O 3.46Å; A124-V212 PolarHBondContact N-O 2.83Å; A124-V212 PolarHBondContact O-N 2.71Å; P126-V212 HydrophobicContact CG-CG2 3.97Å; L129-V212 HydrophobicContact CD1-CB 3.9Å; L129-V212 HydrophobicContact CD1-CG1 4.08Å; L129-V212 HydrophobicContact CD1-CG2 4.45Å
213Q98.6Very high97.3Very high59 Ų5950 Ų5028%0.27628%0.279SS..EExtended strand (participates in β ladder)trans-70.2129.4171.7-172.8179.70.200109I121 L122 L206 P216I121-Q213 HydrophobicContact CD1-CG 4.33Å; L122-Q213 CarbonylContact O-C 3.55Å; L122-Q213 WeakPolarHBondContact O-CA 3.41Å; L122-Q213 WeakPolarHBondContact O-CG 3.4Å; L206-Q213 HydrophobicContact CD2-CB 4.21Å; Q213-P216 HydrophobicContact CG-CB 4.32Å
214V98.3Very high97.3Very high0 Ų046.3 Ų46.30%026%0.26CS..  trans-110.1150.2175.6-58.10000109.2L122 L129 Q134 P135 I194L122-V214 HydrophobicContact CB-CG2 3.63Å; L122-V214 WeakPolarHBondContact CB-O 3.26Å; L122-V214 PolarHBondContact O-N 2.87Å; L129-V214 HydrophobicContact CD1-CG1 4.03Å; L129-V214 HydrophobicContact CD2-CG1 4.09Å; Q134-V214 HydrophobicContact CG-CB 4.17Å; Q134-V214 HydrophobicContact CG-CG1 3.92Å; P135-V214 HydrophobicContact CG-CB 4.45Å; P135-V214 HydrophobicContact CG-CG2 4.47Å; I194-V214 HydrophobicContact CD1-CG2 4.43Å; I194-V214 HydrophobicContact CG2-CG2 3.91Å
215L97.9Very high97.3Very high3 Ų342.9 Ų42.92%0.01624%0.237CC..SBendtrans48.753.9-177.9-62.2171.8000112.6L122 P135 L138 L141 E217 Y218L122-L215 HydrophobicContact CD1-CB 4.01Å; L122-L215 HydrophobicContact CD1-CD1 3.99Å; P135-L215 HydrophobicContact CB-CD1 4.22Å; P135-L215 HydrophobicContact CB-CG 4.49Å; P135-L215 HydrophobicContact CG-CD1 4.05Å; P135-L215 HydrophobicContact CG-CG 4.18Å; P135-L215 VanDerWaalsContact O-CD2 3.25Å; P135-L215 WeakPolarHBondContact O-CD2 3.48Å; L138-L215 HydrophobicContact CD2-CD1 4.15Å; L141-L215 HydrophobicContact CD1-CD1 4.27Å; L141-L215 HydrophobicContact CD2-CD1 4.12Å; L141-L215 HydrophobicContact CG-CD1 4.11Å; L215-E217 WeakPolarHBondContact CA-OE2 3.39Å; L215-E217 PolarHBondContact O-N 2.87Å; L215-Y218 HydrophobicContact CB-CD2 4.16Å; L215-Y218 PolarHBondContact O-N 3.5Å
216P97.3Very high97.3Very high78 Ų7840.5 Ų40.551%0.50623%0.227SC..THydrogen-bonded Turntrans-61.9-17.6-169.427.9-37.6000114.9Q213 Y218Q213-P216 HydrophobicContact CG-CB 4.32Å; P216-Y218 PolarHBondContact O-N 2.86Å
217E96.8Very high97.3Very high94 Ų9438.7 Ų38.744%0.43922%0.217SC..THydrogen-bonded Turntrans-71.7-13.9173.970.4-75.6-178.800113.5N163 L215N163-E217 VanDerWaalsContact CA-O 3.25Å; N163-E217 WeakPolarHBondContact CA-O 3.42Å; N163-E217 WeakPolarHBondContact CB-O 3.47Å; L215-E217 WeakPolarHBondContact CA-OE2 3.39Å; L215-E217 PolarHBondContact O-N 2.87Å
218Y97.7Very high97.2Very high29 Ų2932.2 Ų32.211%0.11419%0.187CC..  trans-112.6138178.9-63.9-79.7000112.6L138 G162 N163 L215 P216L138-Y218 HydrophobicContact CD1-CD1 3.75Å; L138-Y218 HydrophobicContact CD1-CD2 4.46Å; L138-Y218 HydrophobicContact CD1-CE1 3.5Å; L138-Y218 HydrophobicContact CD1-CE2 4.26Å; L138-Y218 HydrophobicContact CD1-CG 4.23Å; L138-Y218 HydrophobicContact CD2-CD1 4.22Å; L138-Y218 HydrophobicContact CD2-CD2 3.87Å; L138-Y218 HydrophobicContact CD2-CE2 4.23Å; L138-Y218 HydrophobicContact CD2-CG 3.86Å; L138-Y218 HydrophobicContact CG-CD1 4.18Å; L138-Y218 HydrophobicContact CG-CD2 4Å; L138-Y218 HydrophobicContact CG-CE1 4.02Å; L138-Y218 HydrophobicContact CG-CE2 3.84Å; L138-Y218 HydrophobicContact CG-CG 4.17Å; G162-Y218 WeakPolarHBondContact O-CA 3.48Å; N163-Y218 HydrophobicContact CB-CD1 4.08Å; N163-Y218 HydrophobicContact CB-CE1 4.1Å; L215-Y218 HydrophobicContact CB-CD2 4.16Å; L215-Y218 PolarHBondContact O-N 3.5Å; P216-Y218 PolarHBondContact O-N 2.86Å
219A97.1Very high97.1Very high26 Ų2635.1 Ų35.122%0.21519%0.187CC..BIsolated β-bridgetrans-147.1162.4172.500000111.4K119 R120 I121 G162K119-A219 HydrophobicContact CB-CB 4.29Å; K119-A219 HydrophobicContact CD-CB 4.04Å; R120-A219 WeakPolarHBondContact O-CA 3.44Å; R120-A219 WeakPolarHBondContact O-CB 3.49Å; I121-A219 HydrophobicContact CG2-CB 4.3Å; G162-A219 PolarHBondContact N-O 3.48Å; G162-A219 PolarHBondContact O-N 3.39Å
220Q94.9Very high96.6Very high24 Ų2437.5 Ų37.511%0.11219%0.187CC..EExtended strand (participates in β ladder)trans-106.5127.1169.9-177177.968.400109.1K119 R120 E160 L196 A222K119-Q220 CarbonylContact C-O 3.55Å; K119-Q220 WeakPolarHBondContact CA-O 3.35Å; K119-Q220 WeakPolarHBondContact CB-O 3.42Å; R120-Q220 HydrophobicContact CB-CB 4.16Å; R120-Q220 PolarHBondContact N-O 3.08Å; R120-Q220 PolarHBondContact O-N 2.78Å; E160-Q220 WeakPolarHBondContact O-CB 3.47Å; E160-Q220 WeakPolarHBondContact O-CG 3.35Å; E160-Q220 PolarHBondContact O-NE2 3.25Å; L196-Q220 HydrophobicContact CD2-CB 4.31Å; Q220-A222 PolarHBondContact O-N 2.82Å
221S93.5Very high96.1Very high49 Ų4933.7 Ų33.734%0.34318%0.175SC..EExtended strand (participates in β ladder)trans-61.8135.7171.6-1680000110.1D104 N223D104-S221 WeakPolarHBondContact OD2-CB 3.46Å; D104-S221 PolarHBondContact OD2-OG 3.3Å; S221-N223 PolarHBondContact OG-ND2 3.39Å
222A94.1Very high95.6Very high0 Ų035.1 Ų35.10%018%0.182CC..  trans-153.249.6-177.700000109.8I102 N118 R120 Q220I102-A222 HydrophobicContact CG2-CB 4.16Å; I102-A222 VanDerWaalsContact CG2-O 3.3Å; I102-A222 WeakPolarHBondContact CG2-O 3.1Å; N118-A222 VanDerWaalsContact CB-O 3.24Å; N118-A222 WeakPolarHBondContact CB-O 3.41Å; N118-A222 PolarHBondContact ND2-O 3.29Å; N118-A222 CarbonylContact O-C 3.59Å; N118-A222 VanDerWaalsContact O-C 3.25Å; N118-A222 PolarHBondContact O-N 2.98Å; R120-A222 HydrophobicContact CG-CB 3.74Å; Q220-A222 PolarHBondContact O-N 2.82Å
223N95.8Very high94.8Very high10 Ų1038 Ų385%0.05319%0.188CC..  trans-59.7158-176.5-56.9-55.4000111.5I102 N103 D104 L114 K117 N118 S221I102-N223 WeakPolarHBondContact CA-O 3.25Å; N103-N223 PolarHBondContact N-O 2.96Å; D104-N223 VanDerWaalsContact OD1-CB 3.24Å; D104-N223 WeakPolarHBondContact OD1-CB 3.36Å; D104-N223 PolarHBondContact OD1-ND2 2.92Å; D104-N223 PolarHBondContact OD2-ND2 2.83Å; L114-N223 HydrophobicContact CD1-CB 3.68Å; K117-N223 VanDerWaalsContact CA-OD1 3.24Å; K117-N223 WeakPolarHBondContact CA-OD1 2.92Å; N118-N223 PolarHBondContact N-OD1 3.19Å; N118-N223 VanDerWaalsContact N-OD1 3.1Å; N118-N223 PolarHBondContact O-N 2.79Å; N118-N223 PolarHBondContact O-OD1 3.28Å; S221-N223 PolarHBondContact OG-ND2 3.39Å
224I96.8Very high94.2Very high0 Ų042.9 Ų42.90%020%0.204CC..EExtended strand (participates in β ladder)trans-105.4120.3-174.1-63.4158.4000108.9F59 I100 R101 I102 L115 T116 N118 L253F59-I224 HydrophobicContact CD2-CD1 4.33Å; F59-I224 HydrophobicContact CE1-CD1 4.36Å; F59-I224 HydrophobicContact CE1-CG2 3.64Å; F59-I224 HydrophobicContact CE2-CD1 3.56Å; F59-I224 HydrophobicContact CZ-CD1 3.6Å; F59-I224 HydrophobicContact CZ-CG1 4.29Å; F59-I224 HydrophobicContact CZ-CG2 3.81Å; I100-I224 HydrophobicContact CG2-CG2 4.03Å; R101-I224 CarbonylContact O-C 3.58Å; R101-I224 WeakPolarHBondContact O-CA 3.12Å; I102-I224 HydrophobicContact CG1-CG1 4.18Å; I102-I224 HydrophobicContact CG2-CG1 4.24Å; L115-I224 HydrophobicContact CB-CG2 4.25Å; L115-I224 WeakPolarHBondContact CB-O 3.49Å; L115-I224 HydrophobicContact CD1-CG2 4.14Å; L115-I224 PolarHBondContact N-O 3.29Å; T116-I224 HydrophobicContact CG2-CB 3.97Å; T116-I224 HydrophobicContact CG2-CD1 3.65Å; T116-I224 HydrophobicContact CG2-CG1 4.33Å; T116-I224 PolarHBondContact N-O 2.76Å; T116-I224 PolarHBondContact O-N 2.97Å; N118-I224 HydrophobicContact CB-CD1 3.86Å; N118-I224 HydrophobicContact CB-CG1 4.05Å; I224-L253 HydrophobicContact CD1-CD1 4.1Å
225W97.3Very high93.7Very high0 Ų044.1 Ų44.10%021%0.213CC..EExtended strand (participates in β ladder)trans-121.6140.8-171-63.594.2000111.9I100 R101 D104 I106 A112 H113 L114 V227 Y260 V262I100-W225 CarbonylContact C-O 3.59Å; I100-W225 WeakPolarHBondContact CA-O 3.35Å; R101-W225 PolarHBondContact N-O 2.93Å; R101-W225 PolarHBondContact O-N 2.91Å; D104-W225 PolarHBondContact OD1-NE1 2.69Å; I106-W225 HydrophobicContact CD1-CB 3.72Å; I106-W225 HydrophobicContact CD1-CD2 3.81Å; I106-W225 HydrophobicContact CD1-CE3 4.34Å; I106-W225 HydrophobicContact CD1-CG 3.5Å; A112-W225 HydrophobicContact CB-CD2 4.43Å; A112-W225 HydrophobicContact CB-CE3 3.74Å; A112-W225 HydrophobicContact CB-CZ3 4.19Å; H113-W225 VanDerWaalsContact C-CE3 3.43Å; H113-W225 WeakPolarHBondContact O-CA 3.3Å; L114-W225 VanDerWaalsContact CA-CE3 3.41Å; L114-W225 HydrophobicContact CB-CD2 4.41Å; L114-W225 HydrophobicContact CB-CE3 3.82Å; L114-W225 HydrophobicContact CB-CH2 3.78Å; L114-W225 HydrophobicContact CB-CZ2 4.43Å; L114-W225 HydrophobicContact CB-CZ3 3.47Å; L114-W225 VanDerWaalsContact CB-CZ3 3.47Å; L114-W225 HydrophobicContact CD1-CD2 3.99Å; L114-W225 HydrophobicContact CD1-CE3 4.26Å; L114-W225 HydrophobicContact CD1-CH2 4.08Å; L114-W225 HydrophobicContact CD1-CZ2 3.86Å; L114-W225 HydrophobicContact CD1-CZ3 4.31Å; L114-W225 HydrophobicContact CG-CH2 4.37Å; L114-W225 HydrophobicContact CG-CZ3 4.44Å; L114-W225 VanDerWaalsContact N-CZ3 3.34Å; W225-V227 HydrophobicContact CB-CG2 3.89Å; W225-Y260 AromaticContact CH2-CD1 3.46Å; W225-Y260 HydrophobicContact CH2-CD1 3.46Å; W225-Y260 VanDerWaalsContact CH2-CD1 3.46Å; W225-Y260 AromaticContact CH2-CE1 3.91Å; W225-Y260 HydrophobicContact CH2-CE1 3.91Å; W225-Y260 AromaticContact CZ2-CD1 3.54Å; W225-Y260 HydrophobicContact CZ2-CD1 3.54Å; W225-Y260 AromaticContact CZ2-CE1 3.52Å; W225-Y260 HydrophobicContact CZ2-CE1 3.52Å; W225-V262 HydrophobicContact CH2-CB 4.36Å; W225-V262 HydrophobicContact CH2-CG2 3.47Å; W225-V262 VanDerWaalsContact CH2-CG2 3.47Å; W225-V262 HydrophobicContact CZ2-CG2 3.46Å; W225-V262 VanDerWaalsContact CZ2-CG2 3.46Å; W225-V262 HydrophobicContact CZ3-CG2 4.14Å
226A98.1Very high93.3Very high0 Ų046.2 Ų46.20%022%0.223CC..EExtended strand (participates in β ladder)trans-88.2117159.600000108.7L98 I100 A112 H113 L115 Y228 V242L98-A226 HydrophobicContact CD1-CB 3.73Å; I100-A226 HydrophobicContact CD1-CB 4.33Å; A112-A226 CarbonylContact C-O 3.25Å; A112-A226 WeakPolarHBondContact CA-O 3.21Å; H113-A226 HydrophobicContact CB-CB 4.3Å; H113-A226 PolarHBondContact N-O 2.8Å; H113-A226 PolarHBondContact O-N 3.44Å; L115-A226 HydrophobicContact CD1-CB 4.12Å; L115-A226 HydrophobicContact CD2-CB 3.77Å; L115-A226 HydrophobicContact CG-CB 4.03Å; A226-Y228 HydrophobicContact CB-CE1 4.48Å; A226-V242 HydrophobicContact CB-CG1 3.99Å; A226-V242 HydrophobicContact CB-CG2 4.15Å
227V97.6Very high93.1Very high0 Ų045.4 Ų45.40%021%0.212CC..EExtended strand (participates in β ladder)trans-116.5128.1-175-175.10000109.9L91 D99 R101 I106 Y110 I111 A112 W225L91-V227 HydrophobicContact CD1-CG1 4.39Å; D99-V227 HydrophobicContact CB-CB 4.46Å; D99-V227 PolarHBondContact N-O 3.16Å; D99-V227 PolarHBondContact O-N 3.32Å; R101-V227 HydrophobicContact CB-CG2 4.1Å; R101-V227 HydrophobicContact CG-CB 4.28Å; R101-V227 HydrophobicContact CG-CG2 3.79Å; I106-V227 HydrophobicContact CD1-CG2 3.75Å; I106-V227 HydrophobicContact CG1-CG2 4.24Å; I106-V227 HydrophobicContact CG2-CG1 3.84Å; I106-V227 HydrophobicContact CG2-CG2 4.21Å; Y110-V227 HydrophobicContact CD2-CG1 4.1Å; Y110-V227 HydrophobicContact CG-CG1 3.92Å; I111-V227 WeakPolarHBondContact O-CA 3.46Å; A112-V227 HydrophobicContact CB-CG2 4.47Å; W225-V227 HydrophobicContact CB-CG2 3.89Å
228Y97.5Very high93Very high13 Ų1341.5 Ų41.55%0.05119%0.194CC..EExtended strand (participates in β ladder)trans-153.7172.5-174.250.7-90.1000111D97 L98 I111 H113 A226 E230 L232 L238 V242D97-Y228 WeakPolarHBondContact O-CB 3.37Å; L98-Y228 HydrophobicContact CD1-CD1 4.14Å; I111-Y228 HydrophobicContact CB-CD2 3.88Å; I111-Y228 HydrophobicContact CB-CE2 3.6Å; I111-Y228 HydrophobicContact CD1-CD2 4.37Å; I111-Y228 HydrophobicContact CD1-CE2 4.07Å; I111-Y228 HydrophobicContact CG1-CE2 4.42Å; I111-Y228 HydrophobicContact CG2-CD2 4.24Å; I111-Y228 HydrophobicContact CG2-CE1 4.49Å; I111-Y228 HydrophobicContact CG2-CE2 3.45Å; I111-Y228 VanDerWaalsContact CG2-CE2 3.45Å; I111-Y228 PolarHBondContact N-O 3.09Å; I111-Y228 PolarHBondContact O-N 2.84Å; H113-Y228 HydrophobicContact CB-CE1 4.06Å; A226-Y228 HydrophobicContact CB-CE1 4.48Å; Y228-E230 WeakPolarHBondContact CD2-O 3.29Å; Y228-E230 WeakPolarHBondContact CE2-O 3.35Å; Y228-L232 HydrophobicContact CD1-CD2 4.45Å; Y228-L232 HydrophobicContact CD2-CD2 4.05Å; Y228-L232 HydrophobicContact CE1-CD2 4.01Å; Y228-L232 HydrophobicContact CE2-CD2 3.53Å; Y228-L232 HydrophobicContact CE2-CG 3.87Å; Y228-L232 HydrophobicContact CG-CD2 4.48Å; Y228-L232 WeakPolarHBondContact OH-CG 3.49Å; Y228-L238 HydrophobicContact CD2-CD2 4Å; Y228-L238 HydrophobicContact CG-CD2 4.07Å; Y228-V242 HydrophobicContact CD1-CG2 4.08Å; Y228-V242 HydrophobicContact CE1-CG1 4.36Å; Y228-V242 HydrophobicContact CE1-CG2 4.04Å
229R94.7Very high92.7Very high131 Ų13141.4 Ų41.449%0.49419%0.193SC..SBendtrans-99.4-33-170.7-70.2173.955.8-157.9-4.3115.3L91 V92 Y110L91-R229 HydrophobicContact CB-CG 4.14Å; L91-R229 HydrophobicContact CD1-CG 4.06Å; V92-R229 VanDerWaalsContact CG2-CZ 3.46Å; Y110-R229 HydrophobicContact CD1-CG 3.81Å; Y110-R229 HydrophobicContact CE1-CG 3.73Å
230E88.8Confident92.5Very high91 Ų9140.7 Ų40.743%0.42519%0.186SC..SBendtrans-117.4145.3-172.1-65.7-169.8-179.200111.2I111 Y228 L232I111-E230 VanDerWaalsContact CD1-C 3.48Å; Y228-E230 WeakPolarHBondContact CD2-O 3.29Å; Y228-E230 WeakPolarHBondContact CE2-O 3.35Å; E230-L232 PolarHBondContact O-N 2.91Å
231P88.7Confident92.6Very high45 Ų4539.5 Ų39.529%0.29218%0.181SC..  trans-54.5139175.7-26.835.5000112.1I111 Y233 R234I111-P231 HydrophobicContact CD1-CB 4.39Å; I111-P231 HydrophobicContact CD1-CG 3.93Å; P231-Y233 HydrophobicContact CB-CD1 3.52Å; P231-Y233 HydrophobicContact CB-CE1 3.15Å; P231-Y233 HydrophobicContact CB-CG 4.37Å; P231-Y233 HydrophobicContact CG-CE1 3.82Å; P231-Y233 PolarHBondContact O-N 3.48Å; P231-R234 WeakPolarHBondContact O-CB 3.22Å; P231-R234 PolarHBondContact O-N 2.89Å
232L88.4Confident92.7Very high33 Ų3337.2 Ų37.217%0.17317%0.165CC..G310 helixtrans-56.9-28.2-172.8-63-176.4000114.2Y228 E230 R234 S235 L238 R239 V242Y228-L232 HydrophobicContact CD1-CD2 4.45Å; Y228-L232 HydrophobicContact CD2-CD2 4.05Å; Y228-L232 HydrophobicContact CE1-CD2 4.01Å; Y228-L232 HydrophobicContact CE2-CD2 3.53Å; Y228-L232 HydrophobicContact CE2-CG 3.87Å; Y228-L232 HydrophobicContact CG-CD2 4.48Å; Y228-L232 WeakPolarHBondContact OH-CG 3.49Å; E230-L232 PolarHBondContact O-N 2.91Å; L232-R234 PolarHBondContact O-N 3.11Å; L232-R234 VanDerWaalsContact O-N 3.12Å; L232-S235 CarbonylContact O-C 3.58Å; L232-S235 PolarHBondContact O-N 3.06Å; L232-S235 VanDerWaalsContact O-N 3.17Å; L232-L238 HydrophobicContact CD2-CD2 4.01Å; L232-L238 HydrophobicContact CD2-CG 3.76Å; L232-R239 HydrophobicContact CB-CB 3.98Å; L232-R239 HydrophobicContact CB-CG 4.11Å; L232-R239 HydrophobicContact CD1-CG 4.47Å; L232-V242 HydrophobicContact CD1-CB 4.27Å; L232-V242 HydrophobicContact CD1-CG1 4.09Å; L232-V242 HydrophobicContact CD2-CB 4.3Å; L232-V242 HydrophobicContact CD2-CG2 4.01Å
233Y81.1Confident92.8Very high114 Ų11441 Ų4145%0.44718%0.182SC..G310 helixtrans-63-16176.968.5-104.2000113.5P231P231-Y233 HydrophobicContact CB-CD1 3.52Å; P231-Y233 HydrophobicContact CB-CE1 3.15Å; P231-Y233 HydrophobicContact CB-CG 4.37Å; P231-Y233 HydrophobicContact CG-CE1 3.82Å; P231-Y233 PolarHBondContact O-N 3.48Å
234R85.8Confident92.8Very high160 Ų16042.1 Ų42.160%0.60419%0.186SC*.G310 helixtrans-84.6-18.8177.2-66.2-167.3172.1-149.6-2.9114.2P231 L232P231-R234 WeakPolarHBondContact O-CB 3.22Å; P231-R234 PolarHBondContact O-N 2.89Å; L232-R234 PolarHBondContact O-N 3.11Å; L232-R234 VanDerWaalsContact O-N 3.12Å
235S88.8Confident92.8Very high26 Ų2642.1 Ų42.118%0.18219%0.186CC..  trans-143.1104-1721760000110.6L232 K237 L238 R239L232-S235 CarbonylContact O-C 3.58Å; L232-S235 PolarHBondContact O-N 3.06Å; L232-S235 VanDerWaalsContact O-N 3.17Å; S235-K237 VanDerWaalsContact C-N 3.35Å; S235-K237 PolarHBondContact O-N 3.37Å; S235-K237 WeakPolarHBondContact OG-CG 3.49Å; S235-L238 PolarHBondContact O-N 3.07Å; S235-L238 VanDerWaalsContact OG-CB 3.31Å; S235-L238 WeakPolarHBondContact OG-CB 3.29Å; S235-L238 PolarHBondContact OG-N 3.09Å; S235-R239 WeakPolarHBondContact O-CB 3.5Å; S235-R239 PolarHBondContact O-N 3.3Å
236M87.9Confident92.8Very high47 Ų4742.4 Ų42.423%0.23219%0.189CC..Hα-helixtrans-63.2-40.4-179-169.6170.1-6600112.6T45 P47 L238 R239 V240T45-M236 VanDerWaalsContact CB-SD 3.53Å; T45-M236 WeakPolarHBondContact OG1-CE 3.47Å; T45-M236 PolarHBondContact OG1-SD 2.93Å; P47-M236 HydrophobicContact CB-CG 4.42Å; M236-L238 VanDerWaalsContact C-N 3.32Å; M236-L238 PolarHBondContact O-N 3.17Å; M236-R239 PolarHBondContact O-N 3.47Å; M236-V240 HydrophobicContact CG-CG2 4.33Å; M236-V240 WeakPolarHBondContact O-CB 3.38Å; M236-V240 WeakPolarHBondContact O-CG2 3.44Å; M236-V240 PolarHBondContact O-N 2.95Å
237K92.9Very high92.6Very high62 Ų6245.2 Ų45.227%0.2721%0.212SC..Hα-helixtrans-59.3-42.6175.463.2179.7-176.1176.30111.9P47 M50 L78 S235 C241P47-K237 HydrophobicContact CB-CB 4.43Å; M50-K237 PolarHBondContact O-NZ 3.38Å; L78-K237 HydrophobicContact CD2-CB 3.69Å; S235-K237 VanDerWaalsContact C-N 3.35Å; S235-K237 PolarHBondContact O-N 3.37Å; S235-K237 WeakPolarHBondContact OG-CG 3.49Å; K237-C241 WeakPolarHBondContact O-CB 3.12Å; K237-C241 PolarHBondContact O-N 3.44Å; K237-C241 VanDerWaalsContact O-N 3.12Å; K237-C241 PolarHBondContact O-SG 2.94Å
238L95Very high92.6Very high11 Ų1146.2 Ų46.26%0.05822%0.216CC..Hα-helixtrans-68.2-47.9179179.262000110.7I51 L98 Y228 L232 S235 M236 V240 C241 V242I51-L238 HydrophobicContact CD1-CD1 4.16Å; L98-L238 HydrophobicContact CB-CD1 3.73Å; L98-L238 HydrophobicContact CD1-CD1 4.34Å; L98-L238 HydrophobicContact CD2-CD1 4.4Å; L98-L238 HydrophobicContact CG-CD1 4.37Å; Y228-L238 HydrophobicContact CD2-CD2 4Å; Y228-L238 HydrophobicContact CG-CD2 4.07Å; L232-L238 HydrophobicContact CD2-CD2 4.01Å; L232-L238 HydrophobicContact CD2-CG 3.76Å; S235-L238 PolarHBondContact O-N 3.07Å; S235-L238 VanDerWaalsContact OG-CB 3.31Å; S235-L238 WeakPolarHBondContact OG-CB 3.29Å; S235-L238 PolarHBondContact OG-N 3.09Å; M236-L238 VanDerWaalsContact C-N 3.32Å; M236-L238 PolarHBondContact O-N 3.17Å; L238-V240 PolarHBondContact O-N 2.96Å; L238-C241 PolarHBondContact O-N 3.45Å; L238-V242 HydrophobicContact CD1-CG2 4.14Å; L238-V242 HydrophobicContact CG-CG2 4.47Å; L238-V242 WeakPolarHBondContact O-CG2 3.27Å; L238-V242 PolarHBondContact O-N 3.42Å
239R92.5Very high92.5Very high27 Ų2745.7 Ų45.710%0.10221%0.214CC..Hα-helixtrans-53.6-53.5177.1-177.5178.764.8134.7-10.4111.8D38 L232 S235 M236 C241 V242 E243D38-R239 IonicContact OD2-CZ 3.86Å; D38-R239 IonicContact OD2-NH1 2.93Å; D38-R239 IonicContact OD2-NH2 3.8Å; D38-R239 PolarHBondContact OD2-NH2 3.4Å; L232-R239 HydrophobicContact CB-CB 3.98Å; L232-R239 HydrophobicContact CB-CG 4.11Å; L232-R239 HydrophobicContact CD1-CG 4.47Å; S235-R239 WeakPolarHBondContact O-CB 3.5Å; S235-R239 PolarHBondContact O-N 3.3Å; M236-R239 PolarHBondContact O-N 3.47Å; R239-C241 VanDerWaalsContact C-N 3.29Å; R239-C241 PolarHBondContact O-N 3.47Å; R239-V242 PolarHBondContact O-N 2.88Å; R239-E243 WeakPolarHBondContact CD-OE1 3.47Å; R239-E243 HydrophobicContact CG-CG 4.22Å; R239-E243 VanDerWaalsContact CG-OE1 3.29Å; R239-E243 WeakPolarHBondContact CG-OE1 3.25Å; R239-E243 WeakPolarHBondContact O-CB 3.15Å; R239-E243 WeakPolarHBondContact O-CG 3.43Å; R239-E243 PolarHBondContact O-N 2.88Å
240V93.1Very high92.5Very high11 Ų1141.9 Ų41.97%0.06720%0.202CC..Hα-helixtrans-61.1-40.5-178.6169.10000111.1P47 L71 Y75 M236 L238 F244P47-V240 HydrophobicContact CB-CB 4.41Å; P47-V240 HydrophobicContact CB-CG2 4.29Å; P47-V240 HydrophobicContact CG-CB 4.27Å; P47-V240 HydrophobicContact CG-CG1 4.11Å; P47-V240 HydrophobicContact CG-CG2 4.08Å; L71-V240 HydrophobicContact CD1-CG1 4.17Å; Y75-V240 HydrophobicContact CD1-CG1 4.13Å; Y75-V240 HydrophobicContact CD2-CG1 3.58Å; Y75-V240 HydrophobicContact CE1-CG1 3.78Å; Y75-V240 HydrophobicContact CE2-CG1 3.19Å; Y75-V240 HydrophobicContact CG-CG1 4.02Å; M236-V240 HydrophobicContact CG-CG2 4.33Å; M236-V240 WeakPolarHBondContact O-CB 3.38Å; M236-V240 WeakPolarHBondContact O-CG2 3.44Å; M236-V240 PolarHBondContact O-N 2.95Å; L238-V240 PolarHBondContact O-N 2.96Å; V240-F244 WeakPolarHBondContact O-CB 3.26Å; V240-F244 PolarHBondContact O-N 3.44Å
241C96Very high92.8Very high0 Ų044.9 Ų44.90%022%0.216CC..Hα-helixtrans-63.8-46.1175.9-67.70000112.1I51 L71 L98 K237 L238 R239 F244 L245I51-C241 HydrophobicContact CD1-CB 3.68Å; I51-C241 WeakPolarHBondContact CD1-SG 3.48Å; L71-C241 HydrophobicContact CD2-CB 4.49Å; L98-C241 HydrophobicContact CD2-CB 3.96Å; K237-C241 WeakPolarHBondContact O-CB 3.12Å; K237-C241 PolarHBondContact O-N 3.44Å; K237-C241 VanDerWaalsContact O-N 3.12Å; K237-C241 PolarHBondContact O-SG 2.94Å; L238-C241 PolarHBondContact O-N 3.45Å; R239-C241 VanDerWaalsContact C-N 3.29Å; R239-C241 PolarHBondContact O-N 3.47Å; C241-F244 PolarHBondContact O-N 3.03Å; C241-L245 WeakPolarHBondContact O-CB 3.38Å; C241-L245 WeakPolarHBondContact O-CG 3.46Å; C241-L245 PolarHBondContact O-N 2.65Å
242V96.9Very high93Very high1 Ų148.6 Ų48.61%0.00622%0.224CC..Hα-helixtrans-63.8-48.4179.2173.10000111.2L98 H113 A226 Y228 L232 L238 R239 F244 L245 A246L98-V242 HydrophobicContact CD1-CG2 3.7Å; L98-V242 HydrophobicContact CD2-CG2 3.9Å; L98-V242 HydrophobicContact CG-CG2 4.44Å; H113-V242 HydrophobicContact CB-CG1 4.2Å; A226-V242 HydrophobicContact CB-CG1 3.99Å; A226-V242 HydrophobicContact CB-CG2 4.15Å; Y228-V242 HydrophobicContact CD1-CG2 4.08Å; Y228-V242 HydrophobicContact CE1-CG1 4.36Å; Y228-V242 HydrophobicContact CE1-CG2 4.04Å; L232-V242 HydrophobicContact CD1-CB 4.27Å; L232-V242 HydrophobicContact CD1-CG1 4.09Å; L232-V242 HydrophobicContact CD2-CB 4.3Å; L232-V242 HydrophobicContact CD2-CG2 4.01Å; L238-V242 HydrophobicContact CD1-CG2 4.14Å; L238-V242 HydrophobicContact CG-CG2 4.47Å; L238-V242 WeakPolarHBondContact O-CG2 3.27Å; L238-V242 PolarHBondContact O-N 3.42Å; R239-V242 PolarHBondContact O-N 2.88Å; V242-F244 VanDerWaalsContact C-N 3.34Å; V242-F244 PolarHBondContact O-N 2.86Å; V242-L245 PolarHBondContact O-N 3.26Å; V242-A246 WeakPolarHBondContact O-CB 3.46Å; V242-A246 PolarHBondContact O-N 3.17Å
243E94.3Very high93.3Very high78 Ų7849.4 Ų49.436%0.36423%0.228SC..Hα-helixtrans-60.7-43.3178.5-71.7176175.600111.4R239 A246 A247R239-E243 WeakPolarHBondContact CD-OE1 3.47Å; R239-E243 HydrophobicContact CG-CG 4.22Å; R239-E243 VanDerWaalsContact CG-OE1 3.29Å; R239-E243 WeakPolarHBondContact CG-OE1 3.25Å; R239-E243 WeakPolarHBondContact O-CB 3.15Å; R239-E243 WeakPolarHBondContact O-CG 3.43Å; R239-E243 PolarHBondContact O-N 2.88Å; E243-A246 PolarHBondContact O-N 3.35Å; E243-A247 PolarHBondContact O-N 2.9Å
244F95.8Very high93.6Very high34 Ų3445.6 Ų45.615%0.14922%0.223CC..Hα-helixtrans-65-46.7178.1-173.7-85.3000112A67 E70 L71 N74 V240 C241 V242 A246 A247 W248A67-F244 HydrophobicContact CB-CE1 4.38Å; A67-F244 WeakPolarHBondContact O-CE1 3.47Å; E70-F244 HydrophobicContact CB-CE1 4.26Å; E70-F244 HydrophobicContact CB-CZ 3.72Å; E70-F244 HydrophobicContact CG-CE2 4.28Å; E70-F244 HydrophobicContact CG-CZ 3.55Å; L71-F244 HydrophobicContact CB-CD1 3.74Å; L71-F244 HydrophobicContact CB-CE1 3.81Å; L71-F244 HydrophobicContact CB-CG 4.17Å; L71-F244 HydrophobicContact CB-CZ 4.28Å; L71-F244 HydrophobicContact CD1-CB 3.59Å; L71-F244 HydrophobicContact CD1-CD1 3.86Å; L71-F244 HydrophobicContact CD1-CD2 3.96Å; L71-F244 HydrophobicContact CD1-CG 3.49Å; L71-F244 VanDerWaalsContact CD1-CG 3.49Å; L71-F244 HydrophobicContact CG-CD1 4.36Å; L71-F244 HydrophobicContact CG-CG 4.43Å; N74-F244 WeakPolarHBondContact ND2-CE2 3.32Å; V240-F244 WeakPolarHBondContact O-CB 3.26Å; V240-F244 PolarHBondContact O-N 3.44Å; C241-F244 PolarHBondContact O-N 3.03Å; V242-F244 VanDerWaalsContact C-N 3.34Å; V242-F244 PolarHBondContact O-N 2.86Å; F244-A246 VanDerWaalsContact C-N 3.31Å; F244-A246 PolarHBondContact O-N 2.81Å; F244-A247 PolarHBondContact O-N 3.09Å; F244-W248 HydrophobicContact CE1-CB 4.44Å; F244-W248 HydrophobicContact CE1-CE3 4.21Å; F244-W248 HydrophobicContact CZ-CE3 4.31Å; F244-W248 WeakPolarHBondContact O-CB 3.36Å; F244-W248 PolarHBondContact O-N 3.29Å
245L97.7Very high93.3Very high0 Ų045.9 Ų45.90%023%0.229CC..Hα-helixtrans-66.5-34.3178.8-69.3179.6000112I64 A67 L98 I100 L115 C241 V242 W248 C249I64-L245 HydrophobicContact CD1-CD2 4.17Å; I64-L245 HydrophobicContact CG2-CD2 4.49Å; A67-L245 HydrophobicContact CB-CD2 3.48Å; A67-L245 VanDerWaalsContact CB-CD2 3.48Å; L98-L245 HydrophobicContact CD2-CD1 3.89Å; I100-L245 HydrophobicContact CD1-CD1 3.64Å; I100-L245 HydrophobicContact CG1-CD1 4.23Å; L115-L245 HydrophobicContact CD1-CB 4.48Å; C241-L245 WeakPolarHBondContact O-CB 3.38Å; C241-L245 WeakPolarHBondContact O-CG 3.46Å; C241-L245 PolarHBondContact O-N 2.65Å; V242-L245 PolarHBondContact O-N 3.26Å; L245-W248 PolarHBondContact O-N 2.76Å; L245-C249 WeakPolarHBondContact O-CB 3.42Å; L245-C249 PolarHBondContact O-N 2.75Å; L245-C249 PolarHBondContact O-SG 3.41Å
246A96.3Very high92.7Very high7 Ų746 Ų466%0.05823%0.23CC..Hα-helixtrans-61.7-53.5173.500000110.3L115 V242 E243 F244 W248 C249 Q250L115-A246 HydrophobicContact CD2-CB 3.68Å; V242-A246 WeakPolarHBondContact O-CB 3.46Å; V242-A246 PolarHBondContact O-N 3.17Å; E243-A246 PolarHBondContact O-N 3.35Å; F244-A246 VanDerWaalsContact C-N 3.31Å; F244-A246 PolarHBondContact O-N 2.81Å; A246-W248 VanDerWaalsContact C-N 3.31Å; A246-W248 PolarHBondContact O-N 3.32Å; A246-C249 PolarHBondContact O-N 2.91Å; A246-Q250 WeakPolarHBondContact O-CB 3.44Å; A246-Q250 WeakPolarHBondContact O-CG 3.3Å; A246-Q250 PolarHBondContact O-N 3.25Å
247A94.8Very high91.8Very high58 Ų5849.2 Ų49.248%0.47925%0.247SC..Hα-helixtrans-58.4-43.4177.400000112.1E243 F244 Q250 Q251E243-A247 PolarHBondContact O-N 2.9Å; F244-A247 PolarHBondContact O-N 3.09Å; A247-Q250 PolarHBondContact O-N 2.83Å; A247-Q251 WeakPolarHBondContact O-CB 3.31Å; A247-Q251 PolarHBondContact O-N 3.5Å
248W97.1Very high89.7Confident22 Ų2255.9 Ų55.98%0.08328%0.28CS..Hα-helixtrans-60.5-49178.1179.4-88.7000112.9H63 P66 A67 E70 F244 L245 A246 R252H63-W248 PolarHBondContact O-NE1 3.45Å; P66-W248 HydrophobicContact CB-CH2 4.3Å; P66-W248 HydrophobicContact CB-CZ2 3.73Å; A67-W248 HydrophobicContact CB-CB 4.25Å; A67-W248 VanDerWaalsContact CB-CD1 3.48Å; A67-W248 HydrophobicContact CB-CD2 3.6Å; A67-W248 HydrophobicContact CB-CE3 4.31Å; A67-W248 HydrophobicContact CB-CG 3.53Å; A67-W248 HydrophobicContact CB-CZ2 4.34Å; E70-W248 HydrophobicContact CB-CE3 4.36Å; E70-W248 HydrophobicContact CB-CH2 4.4Å; E70-W248 HydrophobicContact CB-CZ3 3.72Å; E70-W248 HydrophobicContact CG-CZ3 3.97Å; F244-W248 HydrophobicContact CE1-CB 4.44Å; F244-W248 HydrophobicContact CE1-CE3 4.21Å; F244-W248 HydrophobicContact CZ-CE3 4.31Å; F244-W248 WeakPolarHBondContact O-CB 3.36Å; F244-W248 PolarHBondContact O-N 3.29Å; L245-W248 PolarHBondContact O-N 2.76Å; A246-W248 VanDerWaalsContact C-N 3.31Å; A246-W248 PolarHBondContact O-N 3.32Å; W248-R252 PolarHBondContact O-N 2.99Å
249C96.4Very high87.5Confident1 Ų158.4 Ų58.41%0.00731%0.308CS..Hα-helixtrans-66.1-44.2179.6-67.20000110.6L115 T116 L245 A246 Q251 R252 L253L115-C249 HydrophobicContact CB-CB 4.2Å; T116-C249 HydrophobicContact CG2-CB 4.17Å; L245-C249 WeakPolarHBondContact O-CB 3.42Å; L245-C249 PolarHBondContact O-N 2.75Å; L245-C249 PolarHBondContact O-SG 3.41Å; A246-C249 PolarHBondContact O-N 2.91Å; C249-Q251 VanDerWaalsContact C-N 3.32Å; C249-Q251 PolarHBondContact O-N 3.45Å; C249-R252 PolarHBondContact O-N 2.85Å; C249-R252 VanDerWaalsContact O-N 3.12Å; C249-L253 WeakPolarHBondContact O-CB 3.17Å; C249-L253 PolarHBondContact O-N 3.46Å
250Q95.1Very high85Confident52 Ų5262.3 Ų62.324%0.24332%0.324CS..Hα-helixtrans-62.6-38.4-179.4-70.8172.110.500113L115 A246 A247 R252 G254 K255L115-Q250 VanDerWaalsContact O-CG 3.24Å; L115-Q250 WeakPolarHBondContact O-CG 3.49Å; L115-Q250 PolarHBondContact O-NE2 2.89Å; A246-Q250 WeakPolarHBondContact O-CB 3.44Å; A246-Q250 WeakPolarHBondContact O-CG 3.3Å; A246-Q250 PolarHBondContact O-N 3.25Å; A247-Q250 PolarHBondContact O-N 2.83Å; Q250-R252 VanDerWaalsContact C-N 3.26Å; Q250-R252 PolarHBondContact O-N 3.22Å; Q250-G254 WeakPolarHBondContact CA-O 3.35Å; Q250-G254 CarbonylContact O-C 3.59Å; Q250-G254 VanDerWaalsContact O-CA 3.29Å; Q250-G254 WeakPolarHBondContact O-CA 3.18Å; Q250-G254 PolarHBondContact O-N 2.79Å; Q250-K255 HydrophobicContact CB-CG 3.99Å; Q250-K255 HydrophobicContact CG-CG 4.21Å
251Q93.9Very high82.6Confident154 Ų15465.7 Ų65.772%0.7234%0.339SS*.Hα-helixtrans-64.2-31.4176.8-171.8-176.216.600112.6A247 C249A247-Q251 WeakPolarHBondContact O-CB 3.31Å; A247-Q251 PolarHBondContact O-N 3.5Å; C249-Q251 VanDerWaalsContact C-N 3.32Å; C249-Q251 PolarHBondContact O-N 3.45Å
252R93.6Very high79.7Confident122 Ų12268 Ų6846%0.4635%0.353SS..Hα-helixtrans-101.8-29.7-172.4-75.3172.4169.169.12.9114.3W248 C249 Q250W248-R252 PolarHBondContact O-N 2.99Å; C249-R252 PolarHBondContact O-N 2.85Å; C249-R252 VanDerWaalsContact O-N 3.12Å; Q250-R252 VanDerWaalsContact C-N 3.26Å; Q250-R252 PolarHBondContact O-N 3.22Å
253L93.5Very high76.7Confident51 Ų5177.4 Ų77.427%0.26740%0.399SS..Hα-helixtrans-122-5.9-170.7-57.5174.4000112.6F59 T116 W200 I224 C249F59-L253 HydrophobicContact CE2-CD1 3.67Å; F59-L253 HydrophobicContact CZ-CD1 3.95Å; T116-L253 HydrophobicContact CG2-CB 3.98Å; T116-L253 HydrophobicContact CG2-CD1 4.01Å; W200-L253 HydrophobicContact CB-CD2 3.96Å; I224-L253 HydrophobicContact CD1-CD1 4.1Å; C249-L253 WeakPolarHBondContact O-CB 3.17Å; C249-L253 PolarHBondContact O-N 3.46Å
254G87.7Confident75.8Confident33 Ų3377.4 Ų77.434%0.3440%0.401SS..  trans99.7158.7179.900000113.6T116 Q250T116-G254 WeakPolarHBondContact CB-O 3.26Å; T116-G254 PolarHBondContact OG1-O 2.89Å; Q250-G254 WeakPolarHBondContact CA-O 3.35Å; Q250-G254 CarbonylContact O-C 3.59Å; Q250-G254 VanDerWaalsContact O-CA 3.29Å; Q250-G254 WeakPolarHBondContact O-CA 3.18Å; Q250-G254 PolarHBondContact O-N 2.79Å
255K80Confident74.7Confident166 Ų16679.7 Ų79.772%0.72241%0.414SS*.PPolyproline II helixtrans-82.7145.3178.6-71.4-177.9176.6-175.80111.2Q250Q250-K255 HydrophobicContact CB-CG 3.99Å; Q250-K255 HydrophobicContact CG-CG 4.21Å
256P76.3Confident73.5Confident30 Ų3084.1 Ų84.120%0.19544%0.437CS..PPolyproline II helixtrans-68.5145.6164.330.7-32.9000110.6L114 K117L114-P256 HydrophobicContact CD2-CB 3.3Å; L114-P256 HydrophobicContact CD2-CG 4.08Å; L114-P256 HydrophobicContact CG-CB 4Å; L114-P256 HydrophobicContact CG-CG 4.32Å; K117-P256 HydrophobicContact CG-CB 4.35Å
257D68.2Low72.1Confident113 Ų11388.6 Ų88.660%0.60446%0.46SS*.PPolyproline II helixtrans-63.6146.3167-56.3-45.8000109.9K117K117-D257 IonicContact NZ-OD2 3.03Å; K117-D257 PolarHBondContact NZ-OD2 3.5Å
258E49.6Very low70.7Confident203 Ų20390.6 Ų90.695%0.94946%0.458SS*.THydrogen-bonded Turntrans-56.3136.8-179.3-65.4178.5172.100111.7
259G49.3Very low68.9Low64 Ų6495.1 Ų95.166%0.6648%0.483SS*.THydrogen-bonded Turntrans105.412.4170.900000118.2
260Y39.5Very low67Low109 Ų109101.9 Ų101.943%0.42752%0.517SS..  trans-100.9104177.4-143-108.1000112L114 W225L114-Y260 HydrophobicContact CD2-CD1 3.78Å; L114-Y260 HydrophobicContact CD2-CG 4.1Å; W225-Y260 AromaticContact CH2-CD1 3.46Å; W225-Y260 HydrophobicContact CH2-CD1 3.46Å; W225-Y260 VanDerWaalsContact CH2-CD1 3.46Å; W225-Y260 AromaticContact CH2-CE1 3.91Å; W225-Y260 HydrophobicContact CH2-CE1 3.91Å; W225-Y260 AromaticContact CZ2-CD1 3.54Å; W225-Y260 HydrophobicContact CZ2-CD1 3.54Å; W225-Y260 AromaticContact CZ2-CE1 3.52Å; W225-Y260 HydrophobicContact CZ2-CE1 3.52Å
261Q43Very low64.8Low81 Ų81105.7 Ų105.738%0.37954%0.539SS..  trans-128.4133.3161.4-64.6-165.6500108Y23Y23-Q261 PolarHBondContact OH-OE1 3.4Å; Y23-Q261 VanDerWaalsContact OH-OE1 3.05Å
262V34.3Very low62.4Low50 Ų50101.7 Ų101.730%0.30352%0.523SS..  trans-75.3135.2168.5-178.80000107.6W225W225-V262 HydrophobicContact CH2-CB 4.36Å; W225-V262 HydrophobicContact CH2-CG2 3.47Å; W225-V262 VanDerWaalsContact CH2-CG2 3.47Å; W225-V262 HydrophobicContact CZ2-CG2 3.46Å; W225-V262 VanDerWaalsContact CZ2-CG2 3.46Å; W225-V262 HydrophobicContact CZ3-CG2 4.14Å
263M33.6Very low59.5Low198 Ų19899.8 Ų99.898%0.97553%0.529SS*.  trans-600-179-65.5-177.4-60.300113

Retrieved 263 of 263 residues in 77.1 ms (Link to these results)

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