A0A077ZB21_TRITR Loading...

Serine/threonine-protein phosphatase

Probable phosphatase which plays a redundant role with gsp-4 in spermatogenesis by regulating sister chromatid segregation during meiosis. In addition, involved in sperm motility by controlling the dynamic disassembly of major sperm proteins (MSP) in the spermatozoan pseudopodium.

AlphaFold DB , UniProt , Accession A0A077ZB21, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 300 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
1M95.3Very high97.2Very high72 Ų7278.4 Ų78.436%0.35537%0.371SS..  0130.10179.9-176.7-72.800108.6V5 W6 L9 L32 I33 T36 L104 I107M1-V5 HydrophobicContact CG-CB 4.31Å; M1-V5 HydrophobicContact CG-CG1 4.12Å; M1-W6 HydrophobicContact CG-CB 4.11Å; M1-W6 HydrophobicContact SD-CB 3.68Å; M1-W6 HydrophobicContact SD-CG 4.17Å; M1-L9 HydrophobicContact CE-CD1 4.06Å; M1-L9 HydrophobicContact SD-CD1 4.24Å; M1-L32 HydrophobicContact CE-CD2 4.28Å; M1-L32 HydrophobicContact CE-CG 4.03Å; M1-I33 HydrophobicContact CE-CG1 4.32Å; M1-T36 HydrophobicContact CB-CG2 4.11Å; M1-L104 HydrophobicContact CE-CD2 3.92Å; M1-L104 HydrophobicContact SD-CD2 3.8Å; M1-I107 HydrophobicContact CB-CG2 3.89Å; M1-I107 HydrophobicContact CE-CD1 3.98Å; M1-I107 HydrophobicContact SD-CG2 4.39Å
2D94.7Very high97.1Very high91 Ų9176.4 Ų76.449%0.48736%0.36SS..  trans-60.8149.5176172-98.5000112Q4 V5 W6D2-Q4 PolarHBondContact O-N 3.45Å; D2-Q4 WeakPolarHBondContact OD1-CA 3.08Å; D2-Q4 VanDerWaalsContact OD1-CB 3.23Å; D2-Q4 WeakPolarHBondContact OD1-CB 3.44Å; D2-Q4 PolarHBondContact OD1-N 3.15Å; D2-V5 HydrophobicContact CB-CB 4.39Å; D2-V5 HydrophobicContact CB-CG2 4.13Å; D2-V5 PolarHBondContact O-N 3.27Å; D2-V5 PolarHBondContact OD1-N 3.47Å; D2-W6 WeakPolarHBondContact O-CB 3.22Å; D2-W6 PolarHBondContact O-N 3.12Å
3R96.3Very high97.1Very high172 Ų17270.5 Ų70.565%0.64933%0.332SS*.Hα-helixtrans-64.8-38.4-176.4-177.6179.6178.7179.6-2.1112.6T7R3-T7 WeakPolarHBondContact O-CB 3.35Å; R3-T7 PolarHBondContact O-N 3.09Å; R3-T7 PolarHBondContact O-OG1 2.76Å
4Q97.4Very high96.9Very high159 Ų15968.4 Ų68.474%0.74332%0.324SS*.Hα-helixtrans-68.6-44.7179.5-58.3-178.5-7.500110.2D2 W6 T7 K8D2-Q4 PolarHBondContact O-N 3.45Å; D2-Q4 WeakPolarHBondContact OD1-CA 3.08Å; D2-Q4 VanDerWaalsContact OD1-CB 3.23Å; D2-Q4 WeakPolarHBondContact OD1-CB 3.44Å; D2-Q4 PolarHBondContact OD1-N 3.15Å; Q4-W6 PolarHBondContact O-N 3.5Å; Q4-T7 PolarHBondContact O-N 2.94Å; Q4-K8 WeakPolarHBondContact O-CB 3.27Å; Q4-K8 PolarHBondContact O-N 3.09Å
5V98.1Very high96.7Very high58 Ų5869.7 Ų69.735%0.35233%0.331SS..Hα-helixtrans-58.3-49.2174.3177.70000110.6M1 D2 T7 K8 L9 L32M1-V5 HydrophobicContact CG-CB 4.31Å; M1-V5 HydrophobicContact CG-CG1 4.12Å; D2-V5 HydrophobicContact CB-CB 4.39Å; D2-V5 HydrophobicContact CB-CG2 4.13Å; D2-V5 PolarHBondContact O-N 3.27Å; D2-V5 PolarHBondContact OD1-N 3.47Å; V5-T7 VanDerWaalsContact C-N 3.34Å; V5-T7 PolarHBondContact O-N 3.35Å; V5-K8 PolarHBondContact O-N 3.5Å; V5-L9 HydrophobicContact CG1-CD1 4.11Å; V5-L9 WeakPolarHBondContact O-CG 3.26Å; V5-L9 PolarHBondContact O-N 3.17Å; V5-L32 HydrophobicContact CG1-CD2 3.93Å
6W98.4Very high96.2Very high13 Ų1365.6 Ų65.65%0.04931%0.311CS..Hα-helixtrans-58.3-45.8177.7178.984.2000112.5M1 D2 Q4 L9 K10 L104 Y105 R108 Y109M1-W6 HydrophobicContact CG-CB 4.11Å; M1-W6 HydrophobicContact SD-CB 3.68Å; M1-W6 HydrophobicContact SD-CG 4.17Å; D2-W6 WeakPolarHBondContact O-CB 3.22Å; D2-W6 PolarHBondContact O-N 3.12Å; Q4-W6 PolarHBondContact O-N 3.5Å; W6-L9 PolarHBondContact O-N 2.91Å; W6-K10 HydrophobicContact CH2-CD 3.63Å; W6-K10 HydrophobicContact CH2-CG 4.38Å; W6-K10 HydrophobicContact CZ2-CB 4.43Å; W6-K10 HydrophobicContact CZ2-CD 4.09Å; W6-K10 HydrophobicContact CZ2-CG 4.36Å; W6-K10 HydrophobicContact CZ3-CD 4Å; W6-K10 WeakPolarHBondContact O-CB 3.4Å; W6-K10 PolarHBondContact O-N 2.98Å; W6-L104 VanDerWaalsContact NE1-C 3.3Å; W6-L104 PolarHBondContact NE1-O 2.86Å; W6-Y105 HydrophobicContact CH2-CD1 4.41Å; W6-Y105 HydrophobicContact CH2-CE1 4.16Å; W6-Y105 AromaticContact CZ2-CD1 3.85Å; W6-Y105 HydrophobicContact CZ2-CD1 3.85Å; W6-Y105 AromaticContact CZ2-CE1 3.97Å; W6-Y105 HydrophobicContact CZ2-CE1 3.97Å; W6-R108 HydrophobicContact CD2-CB 3.87Å; W6-R108 HydrophobicContact CD2-CG 3.83Å; W6-R108 HydrophobicContact CE3-CG 4.12Å; W6-R108 HydrophobicContact CG-CB 4.12Å; W6-R108 HydrophobicContact CG-CG 4.37Å; W6-R108 HydrophobicContact CH2-CB 4.44Å; W6-R108 HydrophobicContact CH2-CG 4.04Å; W6-R108 HydrophobicContact CZ2-CB 3.67Å; W6-R108 HydrophobicContact CZ2-CG 3.78Å; W6-R108 HydrophobicContact CZ3-CG 4.23Å; W6-R108 VanDerWaalsContact NE1-CB 3.29Å; W6-Y109 AromaticContact CH2-CE2 3.7Å; W6-Y109 HydrophobicContact CH2-CE2 3.7Å; W6-Y109 AromaticContact CZ2-CE2 3.82Å; W6-Y109 HydrophobicContact CZ2-CE2 3.82Å
7T98Very high95.6Very high46 Ų4664.7 Ų64.728%0.28231%0.311SS..Hα-helixtrans-62.1-46.8-179-57.10000110.4R3 Q4 V5 L9 K10 D11R3-T7 WeakPolarHBondContact O-CB 3.35Å; R3-T7 PolarHBondContact O-N 3.09Å; R3-T7 PolarHBondContact O-OG1 2.76Å; Q4-T7 PolarHBondContact O-N 2.94Å; V5-T7 VanDerWaalsContact C-N 3.34Å; V5-T7 PolarHBondContact O-N 3.35Å; T7-L9 PolarHBondContact O-N 2.99Å; T7-K10 PolarHBondContact O-N 3.41Å; T7-D11 WeakPolarHBondContact CG2-OD2 3.26Å; T7-D11 WeakPolarHBondContact O-CB 3.48Å; T7-D11 VanDerWaalsContact O-CG 3.3Å; T7-D11 PolarHBondContact O-N 3.49Å
8K98.1Very high94.9Very high144 Ų14471.8 Ų71.863%0.62634%0.34SS*.Hα-helixtrans-56-48.5176-179.4-176.4176.1-176.90112.1Q4 V5 K12Q4-K8 WeakPolarHBondContact O-CB 3.27Å; Q4-K8 PolarHBondContact O-N 3.09Å; V5-K8 PolarHBondContact O-N 3.5Å; K8-K12 VanDerWaalsContact O-CB 3.31Å; K8-K12 WeakPolarHBondContact O-CB 3.48Å; K8-K12 PolarHBondContact O-N 2.99Å
9L98.3Very high94.2Very high4 Ų474.5 Ų74.52%0.02135%0.352CS..Hα-helixtrans-67-43.4-179.6-64.6177.3000111.9M1 V5 W6 T7 K12 L13 M25 E29 I33 L104M1-L9 HydrophobicContact CE-CD1 4.06Å; M1-L9 HydrophobicContact SD-CD1 4.24Å; V5-L9 HydrophobicContact CG1-CD1 4.11Å; V5-L9 WeakPolarHBondContact O-CG 3.26Å; V5-L9 PolarHBondContact O-N 3.17Å; W6-L9 PolarHBondContact O-N 2.91Å; T7-L9 PolarHBondContact O-N 2.99Å; L9-K12 WeakPolarHBondContact O-CB 3.31Å; L9-K12 PolarHBondContact O-N 3.33Å; L9-L13 PolarHBondContact O-N 2.73Å; L9-L13 VanDerWaalsContact O-N 3.1Å; L9-M25 HydrophobicContact CB-CE 3.91Å; L9-M25 HydrophobicContact CD2-CE 4.09Å; L9-M25 HydrophobicContact CD2-SD 3.89Å; L9-M25 WeakPolarHBondContact O-CE 3.2Å; L9-E29 HydrophobicContact CD2-CB 4.06Å; L9-E29 HydrophobicContact CD2-CG 3.67Å; L9-E29 WeakPolarHBondContact CD2-OE1 3.47Å; L9-I33 HydrophobicContact CD1-CD1 4.32Å; L9-I33 HydrophobicContact CD1-CG1 4.12Å; L9-L104 HydrophobicContact CB-CD1 3.76Å; L9-L104 HydrophobicContact CB-CD2 4.05Å; L9-L104 HydrophobicContact CD1-CD2 4.12Å
10K98Very high93.4Very high37 Ų3778 Ų7816%0.16137%0.366CS..Hα-helixtrans-61.6-47.5177.2178.8-141.452.8134.10110.8W6 T7 K12 L13 L14 L101 L104 Y105W6-K10 HydrophobicContact CH2-CD 3.63Å; W6-K10 HydrophobicContact CH2-CG 4.38Å; W6-K10 HydrophobicContact CZ2-CB 4.43Å; W6-K10 HydrophobicContact CZ2-CD 4.09Å; W6-K10 HydrophobicContact CZ2-CG 4.36Å; W6-K10 HydrophobicContact CZ3-CD 4Å; W6-K10 WeakPolarHBondContact O-CB 3.4Å; W6-K10 PolarHBondContact O-N 2.98Å; T7-K10 PolarHBondContact O-N 3.41Å; K10-K12 VanDerWaalsContact C-N 3.33Å; K10-K12 PolarHBondContact O-N 3.43Å; K10-L13 PolarHBondContact O-N 2.91Å; K10-L14 HydrophobicContact CD-CD1 4.14Å; K10-L14 HydrophobicContact CG-CD1 4.17Å; K10-L14 WeakPolarHBondContact O-CG 3.49Å; K10-L14 PolarHBondContact O-N 3.04Å; K10-L101 HydrophobicContact CG-CD1 4.25Å; K10-L104 HydrophobicContact CB-CD1 4.4Å; K10-Y105 HydrophobicContact CD-CE1 4.25Å
11D96.7Very high92.8Very high66 Ų6676.5 Ų76.535%0.35336%0.364SS..Hα-helixtrans-64.5-38.5179.5-69-23.1000111.6T7 L13 L14 M15T7-D11 WeakPolarHBondContact CG2-OD2 3.26Å; T7-D11 WeakPolarHBondContact O-CB 3.48Å; T7-D11 VanDerWaalsContact O-CG 3.3Å; T7-D11 PolarHBondContact O-N 3.49Å; D11-L13 VanDerWaalsContact C-N 3.31Å; D11-L13 PolarHBondContact O-N 3.42Å; D11-L14 PolarHBondContact O-N 3.42Å; D11-M15 WeakPolarHBondContact O-CG 3.46Å; D11-M15 PolarHBondContact O-N 2.86Å
12K96.1Very high92.2Very high55 Ų5578.9 Ų78.924%0.23937%0.374CS..Hα-helixtrans-56.2-42.3172.4-173-179.7-177.5-177.60112.6K8 L9 K10 P24 M25 E29K8-K12 VanDerWaalsContact O-CB 3.31Å; K8-K12 WeakPolarHBondContact O-CB 3.48Å; K8-K12 PolarHBondContact O-N 2.99Å; L9-K12 WeakPolarHBondContact O-CB 3.31Å; L9-K12 PolarHBondContact O-N 3.33Å; K10-K12 VanDerWaalsContact C-N 3.33Å; K10-K12 PolarHBondContact O-N 3.43Å; K12-P24 WeakPolarHBondContact CE-O 3.38Å; K12-M25 HydrophobicContact CD-SD 3.95Å; K12-E29 VanDerWaalsContact NZ-CD 3.32Å; K12-E29 IonicContact NZ-OE1 3.75Å; K12-E29 PolarHBondContact NZ-OE1 2.88Å; K12-E29 VanDerWaalsContact NZ-OE1 3.14Å; K12-E29 IonicContact NZ-OE2 3.91Å; K12-E29 PolarHBondContact NZ-OE2 3.26Å
13L96.7Very high92.1Very high0 Ų079.3 Ų79.30%037%0.373CS..Hα-helixtrans-69.1-46.8175-71.7174.7000112.1L9 K10 D11 M15 Q16 P24 M25 Y64 C100 L101 L104L9-L13 PolarHBondContact O-N 2.73Å; L9-L13 VanDerWaalsContact O-N 3.1Å; K10-L13 PolarHBondContact O-N 2.91Å; D11-L13 VanDerWaalsContact C-N 3.31Å; D11-L13 PolarHBondContact O-N 3.42Å; L13-M15 PolarHBondContact O-N 3.38Å; L13-M15 VanDerWaalsContact O-N 3.15Å; L13-Q16 WeakPolarHBondContact O-CA 3.3Å; L13-Q16 WeakPolarHBondContact O-CB 3.41Å; L13-Q16 WeakPolarHBondContact O-CG 3.15Å; L13-Q16 PolarHBondContact O-N 3.49Å; L13-P24 HydrophobicContact CD2-CB 4.06Å; L13-M25 HydrophobicContact CD1-CE 3.7Å; L13-M25 HydrophobicContact CD2-CE 3.74Å; L13-M25 HydrophobicContact CD2-CG 4.39Å; L13-M25 HydrophobicContact CG-CE 3.4Å; L13-Y64 PolarHBondContact O-OH 3.14Å; L13-C100 HydrophobicContact CD1-CB 3.75Å; L13-C100 HydrophobicContact CD2-CB 4.34Å; L13-L101 HydrophobicContact CB-CD1 4.32Å; L13-L101 HydrophobicContact CD1-CB 3.88Å; L13-L101 HydrophobicContact CD1-CD1 4.25Å; L13-L104 HydrophobicContact CD1-CD1 3.64Å
14L95.2Very high91.9Very high41 Ų4171.1 Ų71.122%0.21534%0.342CS..Hα-helixtrans-61.1-28-178.7-67.1175.6000112.3K10 D11 Q16 Y64 V68 Y76 L101K10-L14 HydrophobicContact CD-CD1 4.14Å; K10-L14 HydrophobicContact CG-CD1 4.17Å; K10-L14 WeakPolarHBondContact O-CG 3.49Å; K10-L14 PolarHBondContact O-N 3.04Å; D11-L14 PolarHBondContact O-N 3.42Å; L14-Q16 VanDerWaalsContact C-N 3.28Å; L14-Q16 PolarHBondContact O-N 2.83Å; L14-Y64 PolarHBondContact N-OH 3.17Å; L14-V68 HydrophobicContact CD2-CG2 4.22Å; L14-Y76 HydrophobicContact CD2-CE1 4.15Å; L14-L101 HydrophobicContact CD2-CD1 4.26Å; L14-L101 HydrophobicContact CD2-CD2 4.21Å
15M92.7Very high91.8Very high87 Ų8763.6 Ų63.643%0.42931%0.307SS..THydrogen-bonded Turntrans-67.9-21.6171.1-71.2-172-67.300113.9D11 L13 V17 K18 Q19D11-M15 WeakPolarHBondContact O-CG 3.46Å; D11-M15 PolarHBondContact O-N 2.86Å; L13-M15 PolarHBondContact O-N 3.38Å; L13-M15 VanDerWaalsContact O-N 3.15Å; M15-V17 PolarHBondContact O-N 3.18Å; M15-K18 PolarHBondContact O-N 3.22Å; M15-Q19 PolarHBondContact O-N 3.23Å
16Q90Very high91.8Very high5 Ų563.6 Ų63.62%0.02331%0.308CS..Hα-helixtrans-63.7-23.7179.4-63.8-60.5-3600113.5L13 L14 K18 K20 C21 P24 Y64 E97L13-Q16 WeakPolarHBondContact O-CA 3.3Å; L13-Q16 WeakPolarHBondContact O-CB 3.41Å; L13-Q16 WeakPolarHBondContact O-CG 3.15Å; L13-Q16 PolarHBondContact O-N 3.49Å; L14-Q16 VanDerWaalsContact C-N 3.28Å; L14-Q16 PolarHBondContact O-N 2.83Å; Q16-K18 PolarHBondContact O-N 2.84Å; Q16-K20 PolarHBondContact O-N 3.4Å; Q16-K20 VanDerWaalsContact O-N 3.08Å; Q16-C21 PolarHBondContact NE2-SG 3.16Å; Q16-C21 VanDerWaalsContact NE2-SG 3.37Å; Q16-C21 VanDerWaalsContact OE1-CB 3.3Å; Q16-P24 HydrophobicContact CG-CB 3.93Å; Q16-Y64 HydrophobicContact CB-CD1 4.48Å; Q16-Y64 HydrophobicContact CB-CE1 3.97Å; Q16-E97 HydrophobicContact CB-CG 4.25Å; Q16-E97 HydrophobicContact CG-CG 4.23Å
17V85.5Confident91.8Very high50 Ų5065.8 Ų65.830%0.30332%0.319SS..Hα-helixtrans-57.6-32.5173-178.40000111.1M15 Y64 V68M15-V17 PolarHBondContact O-N 3.18Å; V17-Y64 HydrophobicContact CG2-CD1 4.04Å; V17-Y64 HydrophobicContact CG2-CE1 3.59Å; V17-V68 HydrophobicContact CG2-CB 3.93Å; V17-V68 HydrophobicContact CG2-CG1 3.97Å; V17-V68 HydrophobicContact CG2-CG2 3.67Å
18K83.8Confident91.8Very high192 Ų19268.1 Ų68.184%0.83534%0.336SS*.Hα-helixtrans-100.3-40.2-179.8-63.1-177.6-179.8-179.40113M15 Q16M15-K18 PolarHBondContact O-N 3.22Å; Q16-K18 PolarHBondContact O-N 2.84Å
19Q81Confident91.8Very high123 Ų12362.7 Ų62.758%0.57531%0.313SS*.Hα-helixtrans-97.7-12.7-166.7-65.2176.56.100114.4M15 C21M15-Q19 PolarHBondContact O-N 3.23Å; Q19-C21 VanDerWaalsContact C-N 3.25Å; Q19-C21 PolarHBondContact O-N 2.86Å
20K78.9Confident91.8Very high144 Ų14462.5 Ų62.563%0.62631%0.312SS*.  trans33.953176-64.2-171.3178.5-1760114.2Q16Q16-K20 PolarHBondContact O-N 3.4Å; Q16-K20 VanDerWaalsContact O-N 3.08Å
21C80.4Confident91.9Very high48 Ų4864 Ų6432%0.32432%0.321SS..  trans-66.2143179.3-550000110.5Q16 Q19 Q23Q16-C21 PolarHBondContact NE2-SG 3.16Å; Q16-C21 VanDerWaalsContact NE2-SG 3.37Å; Q16-C21 VanDerWaalsContact OE1-CB 3.3Å; Q19-C21 VanDerWaalsContact C-N 3.25Å; Q19-C21 PolarHBondContact O-N 2.86Å; C21-Q23 VanDerWaalsContact C-N 3.33Å; C21-Q23 PolarHBondContact O-N 3.01Å
22Q83.1Confident92Very high122 Ų12264.2 Ų64.257%0.5732%0.322SS*.SBendtrans-62-40.9178.9-171.6172.43.900112.1R138Q22-R138 HydrophobicContact CG-CG 4.28Å; Q22-R138 WeakPolarHBondContact O-CD 3.48Å; Q22-R138 VanDerWaalsContact O-CG 3.28Å; Q22-R138 WeakPolarHBondContact O-CG 3.45Å; Q22-R138 PolarHBondContact O-NH1 3.14Å
23Q90.8Very high92.1Very high99 Ų9961.6 Ų61.646%0.46331%0.311SS..  trans-111.8100.2172.7-69.7-177.1-1.500110C21 M25 R138 Y139C21-Q23 VanDerWaalsContact C-N 3.33Å; C21-Q23 PolarHBondContact O-N 3.01Å; Q23-M25 PolarHBondContact O-N 3.03Å; Q23-R138 VanDerWaalsContact CG-O 3.27Å; Q23-R138 WeakPolarHBondContact CG-O 3.07Å; Q23-R138 PolarHBondContact NE2-O 2.66Å; Q23-Y139 HydrophobicContact CB-CE1 4.29Å; Q23-Y139 HydrophobicContact CG-CD1 4.37Å; Q23-Y139 HydrophobicContact CG-CE1 3.99Å
24P92.6Very high92.2Very high0 Ų061.6 Ų61.60%031%0.311CS..SBendtrans-69.3-23.2-179.829.2-37.7000112.7K12 L13 Q16 I96 E97K12-P24 WeakPolarHBondContact CE-O 3.38Å; L13-P24 HydrophobicContact CD2-CB 4.06Å; Q16-P24 HydrophobicContact CG-CB 3.93Å; P24-I96 HydrophobicContact CG-CB 4.35Å; P24-I96 HydrophobicContact CG-CG2 3.87Å; P24-E97 HydrophobicContact CB-CG 3.68Å; P24-E97 HydrophobicContact CG-CG 3.81Å
25M96.7Very high92.3Very high1 Ų162.9 Ų62.91%0.00532%0.32CS..SBendtrans-139151.6177.9-68.6-60.1-171.700110.1L9 K12 L13 Q23 E29 L30 I33 L104 Y139L9-M25 HydrophobicContact CB-CE 3.91Å; L9-M25 HydrophobicContact CD2-CE 4.09Å; L9-M25 HydrophobicContact CD2-SD 3.89Å; L9-M25 WeakPolarHBondContact O-CE 3.2Å; K12-M25 HydrophobicContact CD-SD 3.95Å; L13-M25 HydrophobicContact CD1-CE 3.7Å; L13-M25 HydrophobicContact CD2-CE 3.74Å; L13-M25 HydrophobicContact CD2-CG 4.39Å; L13-M25 HydrophobicContact CG-CE 3.4Å; Q23-M25 PolarHBondContact O-N 3.03Å; M25-E29 WeakPolarHBondContact CA-OE2 3.46Å; M25-E29 HydrophobicContact CB-CB 4.22Å; M25-E29 HydrophobicContact SD-CB 4.16Å; M25-L30 HydrophobicContact CB-CD2 3.56Å; M25-L30 HydrophobicContact CB-CG 3.83Å; M25-L30 HydrophobicContact CG-CD2 4.07Å; M25-I33 HydrophobicContact CE-CD1 3.91Å; M25-I33 HydrophobicContact CG-CD1 4.33Å; M25-I33 HydrophobicContact SD-CD1 4.42Å; M25-L104 HydrophobicContact CE-CD1 4.27Å; M25-Y139 WeakPolarHBondContact O-CE1 3.46Å; M25-Y139 PolarHBondContact O-OH 3.34Å
26T97.3Very high92.6Very high59 Ų5960 Ų6036%0.36231%0.307SS..  trans-78.2159.6168.363.70000110.7E29 L30T26-E29 PolarHBondContact N-OE2 2.73Å; T26-E29 WeakPolarHBondContact O-CB 3.26Å; T26-E29 PolarHBondContact O-N 3.3Å; T26-E29 VanDerWaalsContact O-N 3.09Å; T26-E29 VanDerWaalsContact OG1-CD 3.25Å; T26-E29 WeakPolarHBondContact OG1-CG 3.28Å; T26-E29 PolarHBondContact OG1-N 2.83Å; T26-E29 PolarHBondContact OG1-OE2 2.94Å; T26-L30 WeakPolarHBondContact O-CG 3.47Å; T26-L30 PolarHBondContact O-N 2.76Å
27I98.2Very high93Very high58 Ų5859.7 Ų59.730%0.29731%0.306SS..Hα-helixtrans-56.8-43.4177.6-64.3176000112.4E29 L30 N31 Y139 D141 V144I27-E29 VanDerWaalsContact C-N 3.34Å; I27-E29 PolarHBondContact O-N 2.89Å; I27-L30 PolarHBondContact O-N 3.24Å; I27-N31 WeakPolarHBondContact CG2-ND2 3.34Å; I27-N31 PolarHBondContact O-N 2.88Å; I27-N31 PolarHBondContact O-ND2 2.96Å; I27-Y139 HydrophobicContact CD1-CD1 4.41Å; I27-Y139 HydrophobicContact CG1-CD1 3.81Å; I27-Y139 HydrophobicContact CG1-CE1 4.37Å; I27-D141 HydrophobicContact CD1-CB 4.41Å; I27-V144 HydrophobicContact CD1-CG2 4.21Å; I27-V144 HydrophobicContact CG1-CG2 4.02Å; I27-V144 HydrophobicContact CG2-CG2 4.35Å
28P98.3Very high93.7Very high96 Ų9658.8 Ų58.862%0.62330%0.298SS*.Hα-helixtrans-59.9-39.5173.4-27.536.8000113.9N31 L32P28-N31 PolarHBondContact O-N 3.39Å; P28-L32 WeakPolarHBondContact O-CB 3.38Å; P28-L32 PolarHBondContact O-N 2.93Å
29E98.4Very high94.3Very high30 Ų3052.3 Ų52.314%0.1428%0.278CS..Hα-helixtrans-65.9-41.1176.2-69.3167.4146.900111.3L9 K12 M25 T26 I27 L32 I33L9-E29 HydrophobicContact CD2-CB 4.06Å; L9-E29 HydrophobicContact CD2-CG 3.67Å; L9-E29 WeakPolarHBondContact CD2-OE1 3.47Å; K12-E29 VanDerWaalsContact NZ-CD 3.32Å; K12-E29 IonicContact NZ-OE1 3.75Å; K12-E29 PolarHBondContact NZ-OE1 2.88Å; K12-E29 VanDerWaalsContact NZ-OE1 3.14Å; K12-E29 IonicContact NZ-OE2 3.91Å; K12-E29 PolarHBondContact NZ-OE2 3.26Å; M25-E29 WeakPolarHBondContact CA-OE2 3.46Å; M25-E29 HydrophobicContact CB-CB 4.22Å; M25-E29 HydrophobicContact SD-CB 4.16Å; T26-E29 PolarHBondContact N-OE2 2.73Å; T26-E29 WeakPolarHBondContact O-CB 3.26Å; T26-E29 PolarHBondContact O-N 3.3Å; T26-E29 VanDerWaalsContact O-N 3.09Å; T26-E29 VanDerWaalsContact OG1-CD 3.25Å; T26-E29 WeakPolarHBondContact OG1-CG 3.28Å; T26-E29 PolarHBondContact OG1-N 2.83Å; T26-E29 PolarHBondContact OG1-OE2 2.94Å; I27-E29 VanDerWaalsContact C-N 3.34Å; I27-E29 PolarHBondContact O-N 2.89Å; E29-L32 PolarHBondContact O-N 3.33Å; E29-I33 VanDerWaalsContact O-CG1 3.26Å; E29-I33 WeakPolarHBondContact O-CG1 3.42Å; E29-I33 PolarHBondContact O-N 2.78Å
30L98.6Very high95.1Very high0 Ų048.5 Ų48.50%026%0.26CS..Hα-helixtrans-61.6-45.2174.9-67.9-178.9000112M25 T26 I27 L32 I33 C34 I96 C100 Y139 V144 F148M25-L30 HydrophobicContact CB-CD2 3.56Å; M25-L30 HydrophobicContact CB-CG 3.83Å; M25-L30 HydrophobicContact CG-CD2 4.07Å; T26-L30 WeakPolarHBondContact O-CG 3.47Å; T26-L30 PolarHBondContact O-N 2.76Å; I27-L30 PolarHBondContact O-N 3.24Å; L30-L32 VanDerWaalsContact C-N 3.35Å; L30-L32 PolarHBondContact O-N 3.17Å; L30-I33 PolarHBondContact O-N 3.45Å; L30-C34 WeakPolarHBondContact O-CB 3.27Å; L30-C34 PolarHBondContact O-N 2.78Å; L30-C34 PolarHBondContact O-SG 2.89Å; L30-I96 HydrophobicContact CD2-CG2 4.29Å; L30-C100 WeakPolarHBondContact CD2-SG 3.43Å; L30-Y139 HydrophobicContact CD1-CD1 4.34Å; L30-Y139 HydrophobicContact CD1-CE1 3.75Å; L30-Y139 HydrophobicContact CD1-CE2 4.16Å; L30-V144 HydrophobicContact CD1-CG1 3.63Å; L30-F148 HydrophobicContact CD1-CE2 4.33Å; L30-F148 HydrophobicContact CD2-CE2 4.33Å; L30-F148 HydrophobicContact CD2-CZ 3.9Å
31N98.5Very high96.1Very high68 Ų6841.6 Ų41.636%0.36423%0.23SC..Hα-helixtrans-58.1-46.8174.5-81.5-75.8000111.4I27 P28 I33 C34 T35 L147I27-N31 WeakPolarHBondContact CG2-ND2 3.34Å; I27-N31 PolarHBondContact O-N 2.88Å; I27-N31 PolarHBondContact O-ND2 2.96Å; P28-N31 PolarHBondContact O-N 3.39Å; N31-I33 PolarHBondContact O-N 2.75Å; N31-C34 PolarHBondContact O-N 3.22Å; N31-T35 WeakPolarHBondContact O-CB 3.44Å; N31-T35 VanDerWaalsContact O-CG2 3.28Å; N31-T35 WeakPolarHBondContact O-CG2 3.29Å; N31-T35 PolarHBondContact O-N 3.41Å; N31-T35 PolarHBondContact O-OG1 2.68Å; N31-L147 HydrophobicContact CB-CD2 4.43Å
32L98.6Very high96.9Very high71 Ų7143.4 Ų43.437%0.37223%0.233SC..Hα-helixtrans-61.1-45178.2179.563.5000112.1M1 V5 P28 E29 L30 T35 T36M1-L32 HydrophobicContact CE-CD2 4.28Å; M1-L32 HydrophobicContact CE-CG 4.03Å; V5-L32 HydrophobicContact CG1-CD2 3.93Å; P28-L32 WeakPolarHBondContact O-CB 3.38Å; P28-L32 PolarHBondContact O-N 2.93Å; E29-L32 PolarHBondContact O-N 3.33Å; L30-L32 VanDerWaalsContact C-N 3.35Å; L30-L32 PolarHBondContact O-N 3.17Å; L32-T35 PolarHBondContact O-OG1 2.94Å; L32-T36 VanDerWaalsContact O-CB 3.23Å; L32-T36 WeakPolarHBondContact O-CB 3.47Å; L32-T36 PolarHBondContact O-N 3.3Å; L32-T36 VanDerWaalsContact O-N 3.08Å; L32-T36 PolarHBondContact O-OG1 3.47Å
33I98.8Very high97.6Very high0 Ų044.5 Ų44.50%024%0.236CC..Hα-helixtrans-63-52.4178.8-67.1165.6000110.3M1 L9 M25 E29 L30 N31 T36 V37 C100 F103 L104 I107M1-I33 HydrophobicContact CE-CG1 4.32Å; L9-I33 HydrophobicContact CD1-CD1 4.32Å; L9-I33 HydrophobicContact CD1-CG1 4.12Å; M25-I33 HydrophobicContact CE-CD1 3.91Å; M25-I33 HydrophobicContact CG-CD1 4.33Å; M25-I33 HydrophobicContact SD-CD1 4.42Å; E29-I33 VanDerWaalsContact O-CG1 3.26Å; E29-I33 WeakPolarHBondContact O-CG1 3.42Å; E29-I33 PolarHBondContact O-N 2.78Å; L30-I33 PolarHBondContact O-N 3.45Å; N31-I33 PolarHBondContact O-N 2.75Å; I33-T36 PolarHBondContact O-N 2.84Å; I33-V37 WeakPolarHBondContact O-CG1 3.45Å; I33-V37 PolarHBondContact O-N 3.1Å; I33-C100 HydrophobicContact CD1-CB 4.34Å; I33-F103 HydrophobicContact CG2-CB 3.64Å; I33-F103 HydrophobicContact CG2-CD2 4.08Å; I33-F103 HydrophobicContact CG2-CG 4.4Å; I33-L104 HydrophobicContact CD1-CD1 4.41Å; I33-L104 HydrophobicContact CD1-CD2 4.32Å; I33-L104 HydrophobicContact CD1-CG 4.31Å; I33-L104 HydrophobicContact CG1-CD2 3.97Å; I33-L104 HydrophobicContact CG1-CG 4.36Å; I33-I107 HydrophobicContact CG2-CD1 4.36Å
34C98.8Very high97.9Very high0 Ų041.2 Ų41.20%022%0.221CC..Hα-helixtrans-64.2-45.3-175-68.70000112.4L30 N31 V37 Q38 L147 T151L30-C34 WeakPolarHBondContact O-CB 3.27Å; L30-C34 PolarHBondContact O-N 2.78Å; L30-C34 PolarHBondContact O-SG 2.89Å; N31-C34 PolarHBondContact O-N 3.22Å; C34-V37 WeakPolarHBondContact O-CG1 3.09Å; C34-Q38 VanDerWaalsContact O-CB 3.23Å; C34-Q38 WeakPolarHBondContact O-CB 3.43Å; C34-Q38 PolarHBondContact O-N 3.15Å; C34-L147 HydrophobicContact CB-CD1 3.7Å; C34-L147 HydrophobicContact CB-CD2 3.85Å; C34-L147 HydrophobicContact CB-CG 3.64Å; C34-T151 WeakPolarHBondContact CB-OG1 3.35Å
35T98.3Very high98.1Very high68 Ų6843.4 Ų43.442%0.41724%0.239SC..Hα-helixtrans-66.3-39.9177.653.90000112N31 L32 S39N31-T35 WeakPolarHBondContact O-CB 3.44Å; N31-T35 VanDerWaalsContact O-CG2 3.28Å; N31-T35 WeakPolarHBondContact O-CG2 3.29Å; N31-T35 PolarHBondContact O-N 3.41Å; N31-T35 PolarHBondContact O-OG1 2.68Å; L32-T35 PolarHBondContact O-OG1 2.94Å; T35-S39 PolarHBondContact O-N 3.26Å; T35-S39 PolarHBondContact O-OG 3.38Å
36T98.6Very high98.1Very high25 Ų2543.4 Ų43.415%0.15324%0.239CC..Hα-helixtrans-68.4-45.6179-54.70000111.6M1 L32 I33 Q38 S39 E40 I107M1-T36 HydrophobicContact CB-CG2 4.11Å; L32-T36 VanDerWaalsContact O-CB 3.23Å; L32-T36 WeakPolarHBondContact O-CB 3.47Å; L32-T36 PolarHBondContact O-N 3.3Å; L32-T36 VanDerWaalsContact O-N 3.08Å; L32-T36 PolarHBondContact O-OG1 3.47Å; I33-T36 PolarHBondContact O-N 2.84Å; T36-Q38 VanDerWaalsContact C-N 3.31Å; T36-Q38 PolarHBondContact O-N 2.71Å; T36-S39 PolarHBondContact O-N 3.29Å; T36-E40 PolarHBondContact O-N 3.18Å; T36-I107 HydrophobicContact CG2-CB 4.43Å; T36-I107 HydrophobicContact CG2-CD1 3.99Å; T36-I107 HydrophobicContact CG2-CG1 3.91Å; T36-I107 HydrophobicContact CG2-CG2 3.64Å
37V98.7Very high98.2Very high0 Ų040.8 Ų40.80%022%0.223CC..Hα-helixtrans-67.6-34.8-179.874.80000111.2I33 C34 S39 E40 L41 F103 K106 I107 T151I33-V37 WeakPolarHBondContact O-CG1 3.45Å; I33-V37 PolarHBondContact O-N 3.1Å; C34-V37 WeakPolarHBondContact O-CG1 3.09Å; V37-S39 VanDerWaalsContact C-N 3.29Å; V37-S39 PolarHBondContact O-N 2.78Å; V37-E40 WeakPolarHBondContact O-CA 3.16Å; V37-E40 WeakPolarHBondContact O-CB 3.44Å; V37-E40 PolarHBondContact O-N 3.12Å; V37-L41 HydrophobicContact CG2-CD1 4.27Å; V37-L41 HydrophobicContact CG2-CG 4.24Å; V37-L41 WeakPolarHBondContact O-CG 3.31Å; V37-L41 PolarHBondContact O-N 2.98Å; V37-F103 HydrophobicContact CB-CB 4.16Å; V37-F103 HydrophobicContact CB-CG 4.23Å; V37-F103 HydrophobicContact CG1-CB 4.16Å; V37-F103 HydrophobicContact CG1-CD1 4.1Å; V37-F103 HydrophobicContact CG1-CD2 3.75Å; V37-F103 HydrophobicContact CG1-CE1 4.36Å; V37-F103 HydrophobicContact CG1-CE2 4.04Å; V37-F103 HydrophobicContact CG1-CG 3.76Å; V37-F103 HydrophobicContact CG1-CZ 4.32Å; V37-F103 HydrophobicContact CG2-CB 4.1Å; V37-F103 HydrophobicContact CG2-CD1 3.94Å; V37-F103 HydrophobicContact CG2-CG 4.09Å; V37-K106 HydrophobicContact CG2-CB 4.02Å; V37-K106 HydrophobicContact CG2-CG 3.73Å; V37-I107 HydrophobicContact CB-CD1 3.94Å; V37-I107 HydrophobicContact CB-CG1 3.75Å; V37-I107 HydrophobicContact CG2-CG1 4.17Å; V37-T151 HydrophobicContact CG1-CG2 3.43Å; V37-T151 VanDerWaalsContact CG1-CG2 3.43Å
38Q98.5Very high98.2Very high30 Ų3038.5 Ų38.514%0.1421%0.211CC..Hα-helixtrans-56.1-45.1175.7179.5176.8-36.300111.3C34 T36 E40 L41 Q42 W154C34-Q38 VanDerWaalsContact O-CB 3.23Å; C34-Q38 WeakPolarHBondContact O-CB 3.43Å; C34-Q38 PolarHBondContact O-N 3.15Å; T36-Q38 VanDerWaalsContact C-N 3.31Å; T36-Q38 PolarHBondContact O-N 2.71Å; Q38-E40 PolarHBondContact O-N 2.85Å; Q38-L41 PolarHBondContact O-N 2.83Å; Q38-Q42 HydrophobicContact CG-CG 4.39Å; Q38-Q42 WeakPolarHBondContact O-CB 3.43Å; Q38-Q42 VanDerWaalsContact O-CG 3.25Å; Q38-Q42 WeakPolarHBondContact O-CG 3.37Å; Q38-Q42 PolarHBondContact O-N 3.09Å; Q38-W154 VanDerWaalsContact CG-CD1 3.49Å; Q38-W154 HydrophobicContact CG-CG 4.09Å
39S97.9Very high98.2Very high57 Ų5737.5 Ų37.540%0.39920%0.198SC..Hα-helixtrans-60.2-31.2175.9-59.30000113.1T35 T36 V37 K43T35-S39 PolarHBondContact O-N 3.26Å; T35-S39 PolarHBondContact O-OG 3.38Å; T36-S39 PolarHBondContact O-N 3.29Å; V37-S39 VanDerWaalsContact C-N 3.29Å; V37-S39 PolarHBondContact O-N 2.78Å; S39-K43 VanDerWaalsContact O-CE 3.31Å; S39-K43 WeakPolarHBondContact O-CE 3.22Å; S39-K43 WeakPolarHBondContact O-CG 3.4Å
40E98Very high98.2Very high42 Ų4236.9 Ų36.920%0.19620%0.195CC..Hα-helixtrans-77.3-39.7174.3-62.8-51.7136.700112.4T36 V37 Q38 Q42 K43T36-E40 PolarHBondContact O-N 3.18Å; V37-E40 WeakPolarHBondContact O-CA 3.16Å; V37-E40 WeakPolarHBondContact O-CB 3.44Å; V37-E40 PolarHBondContact O-N 3.12Å; Q38-E40 PolarHBondContact O-N 2.85Å; E40-Q42 VanDerWaalsContact C-N 3.31Å; E40-Q42 PolarHBondContact O-N 2.9Å; E40-K43 PolarHBondContact O-N 2.78Å; E40-K43 IonicContact OE1-NZ 3.3Å; E40-K43 PolarHBondContact OE1-NZ 2.86Å; E40-K43 IonicContact OE2-NZ 3.14Å; E40-K43 PolarHBondContact OE2-NZ 3.35Å
41L98.5Very high98.1Very high0 Ų041.9 Ų41.90%022%0.222CC..Hα-helixtrans-67.1-32.3178.2-66.7174.1000112.6V37 Q38 K43 Q44 T151 W154 L155 R187V37-L41 HydrophobicContact CG2-CD1 4.27Å; V37-L41 HydrophobicContact CG2-CG 4.24Å; V37-L41 WeakPolarHBondContact O-CG 3.31Å; V37-L41 PolarHBondContact O-N 2.98Å; Q38-L41 PolarHBondContact O-N 2.83Å; L41-K43 PolarHBondContact O-N 2.92Å; L41-Q44 PolarHBondContact O-N 3.05Å; L41-T151 HydrophobicContact CD1-CG2 4.32Å; L41-W154 HydrophobicContact CB-CB 3.94Å; L41-W154 HydrophobicContact CD1-CB 4.31Å; L41-L155 HydrophobicContact CD1-CD2 3.93Å; L41-L155 HydrophobicContact CD1-CG 4.37Å; L41-L155 HydrophobicContact CD2-CD2 4.03Å; L41-R187 PolarHBondContact O-NH1 2.87Å
42Q97.7Very high97.9Very high85 Ų8539.4 Ų39.440%0.39721%0.213SC..THydrogen-bonded Turntrans-62.5-27.8174.9-78.6176.1-8.500113.1Q38 E40 W154Q38-Q42 HydrophobicContact CG-CG 4.39Å; Q38-Q42 WeakPolarHBondContact O-CB 3.43Å; Q38-Q42 VanDerWaalsContact O-CG 3.25Å; Q38-Q42 WeakPolarHBondContact O-CG 3.37Å; Q38-Q42 PolarHBondContact O-N 3.09Å; E40-Q42 VanDerWaalsContact C-N 3.31Å; E40-Q42 PolarHBondContact O-N 2.9Å; Q42-W154 HydrophobicContact CG-CD2 3.71Å; Q42-W154 HydrophobicContact CG-CE3 3.6Å; Q42-W154 HydrophobicContact CG-CG 4.39Å; Q42-W154 HydrophobicContact CG-CH2 3.86Å; Q42-W154 HydrophobicContact CG-CZ2 4Å; Q42-W154 HydrophobicContact CG-CZ3 3.68Å
43K97.2Very high97.9Very high145 Ų14539.2 Ų39.263%0.6322%0.216SC*.THydrogen-bonded Turntrans-79.4-18.8179.6-60.8169.4-165.2168.10113.2S39 E40 L41S39-K43 VanDerWaalsContact O-CE 3.31Å; S39-K43 WeakPolarHBondContact O-CE 3.22Å; S39-K43 WeakPolarHBondContact O-CG 3.4Å; E40-K43 PolarHBondContact O-N 2.78Å; E40-K43 IonicContact OE1-NZ 3.3Å; E40-K43 PolarHBondContact OE1-NZ 2.86Å; E40-K43 IonicContact OE2-NZ 3.14Å; E40-K43 PolarHBondContact OE2-NZ 3.35Å; L41-K43 PolarHBondContact O-N 2.92Å
44Q96.9Very high97.9Very high30 Ų3039.3 Ų39.314%0.1422%0.216CC..SBendtrans-86.1158.1178.4-57.8-168.6-86.200109.8L41 P156 R187L41-Q44 PolarHBondContact O-N 3.05Å; Q44-P156 HydrophobicContact CB-CG 4.2Å; Q44-R187 PolarHBondContact O-NH2 3.29Å
45A97.1Very high97.9Very high47 Ų4739.5 Ų39.539%0.38822%0.217SC..  trans-84.2173.8167.600000111L47 P156 R187A45-L47 VanDerWaalsContact C-N 3.28Å; A45-L47 WeakPolarHBondContact CB-O 3.26Å; A45-P156 WeakPolarHBondContact O-CB 3.35Å; A45-P156 WeakPolarHBondContact O-CG 3.44Å; A45-R187 VanDerWaalsContact C-NH2 3.28Å
46A97.7Very high97.9Very high1 Ų136.3 Ų36.31%0.00820%0.198CC..SBendtrans-69.2-26.917500000112.9L157 A158 I182 I185A46-L157 PolarHBondContact O-N 2.92Å; A46-A158 PolarHBondContact O-N 2.81Å; A46-I182 WeakPolarHBondContact CB-O 3.43Å; A46-I185 HydrophobicContact CB-CB 3.79Å; A46-I185 HydrophobicContact CB-CG2 4.38Å
47L98.7Very high97.9Very high3 Ų335.1 Ų35.12%0.01619%0.19CC..EExtended strand (participates in β ladder)trans-101.6116.9162.6-178.166.5000108.7A45 E49 A158 L160 L166 L179 I182 R183A45-L47 VanDerWaalsContact C-N 3.28Å; A45-L47 WeakPolarHBondContact CB-O 3.26Å; L47-E49 HydrophobicContact CD2-CG 4.24Å; L47-E49 HydrophobicContact CG-CG 4.14Å; L47-A158 WeakPolarHBondContact CA-O 3.19Å; L47-A158 HydrophobicContact CD1-CB 3.66Å; L47-L160 HydrophobicContact CD1-CB 4.23Å; L47-L166 HydrophobicContact CD1-CD1 4.24Å; L47-L179 HydrophobicContact CD2-CB 4.19Å; L47-I182 HydrophobicContact CB-CB 4.27Å; L47-I182 HydrophobicContact CB-CG2 3.9Å; L47-I182 HydrophobicContact CD1-CG2 4.34Å; L47-R183 HydrophobicContact CB-CG 3.97Å; L47-R183 HydrophobicContact CD2-CG 3.73Å; L47-R183 HydrophobicContact CG-CG 4.45Å
48I98.5Very high97.9Very high10 Ų1035.1 Ų35.15%0.05119%0.19CC..EExtended strand (participates in β ladder)trans-88.4129.6174.2-45.9171.7000109F50 F114 L116 P156 A158 A159 L160I48-F50 HydrophobicContact CG2-CD1 3.9Å; I48-F50 HydrophobicContact CG2-CE1 4.28Å; I48-F114 HydrophobicContact CD1-CB 4.14Å; I48-F114 HydrophobicContact CD1-CD1 4.26Å; I48-F114 HydrophobicContact CG2-CD1 3.73Å; I48-F114 HydrophobicContact CG2-CE1 3.98Å; I48-L116 HydrophobicContact CD1-CD2 3.82Å; I48-L116 HydrophobicContact CG1-CD2 4.41Å; I48-P156 HydrophobicContact CD1-CB 3.73Å; I48-P156 HydrophobicContact CD1-CG 3.69Å; I48-P156 HydrophobicContact CG1-CB 3.56Å; I48-P156 HydrophobicContact CG1-CG 3.71Å; I48-A158 PolarHBondContact N-O 3.37Å; I48-A159 HydrophobicContact CB-CB 4.26Å; I48-A159 CarbonylContact O-C 3.15Å; I48-A159 WeakPolarHBondContact O-CA 3.45Å; I48-L160 PolarHBondContact O-N 3.23Å
49E98.4Very high97.9Very high75 Ų7533.7 Ų33.735%0.3518%0.184SC..EExtended strand (participates in β ladder)trans-117.5128-179.6-57.5-177.2-114.800110.3L47 L160 Q163 R183L47-E49 HydrophobicContact CD2-CG 4.24Å; L47-E49 HydrophobicContact CG-CG 4.14Å; E49-L160 WeakPolarHBondContact CA-O 3.29Å; E49-L160 HydrophobicContact CG-CB 4.14Å; E49-Q163 PolarHBondContact OE2-NE2 3.49Å; E49-R183 VanDerWaalsContact CD-NH2 3.33Å; E49-R183 IonicContact OE1-CZ 3.17Å; E49-R183 IonicContact OE1-NE 3.96Å; E49-R183 PolarHBondContact OE1-NE 3.25Å; E49-R183 IonicContact OE1-NH2 3.15Å; E49-R183 PolarHBondContact OE1-NH2 2.8Å; E49-R183 IonicContact OE2-CZ 2.78Å; E49-R183 IonicContact OE2-NE 3.77Å; E49-R183 IonicContact OE2-NH2 3.56Å; E49-R183 PolarHBondContact OE2-NH2 2.94Å
50F97.9Very high98Very high18 Ų1831.1 Ų31.18%0.07917%0.165CC..EExtended strand (participates in β ladder)trans-161.6158.2178.561-86.8000112.3I48 V54 R81 L83 F114 A159 L160 V161 N162I48-F50 HydrophobicContact CG2-CD1 3.9Å; I48-F50 HydrophobicContact CG2-CE1 4.28Å; F50-V54 HydrophobicContact CE2-CB 3.96Å; F50-V54 HydrophobicContact CE2-CG1 4.02Å; F50-V54 HydrophobicContact CE2-CG2 3.91Å; F50-V54 HydrophobicContact CZ-CG2 4.23Å; F50-R81 VanDerWaalsContact CD2-NH2 3.31Å; F50-L83 HydrophobicContact CZ-CB 4.24Å; F50-L83 HydrophobicContact CZ-CD1 4.45Å; F50-L83 HydrophobicContact CZ-CD2 4.3Å; F50-F114 HydrophobicContact CB-CZ 4.16Å; F50-F114 HydrophobicContact CD1-CD1 4.22Å; F50-F114 HydrophobicContact CD1-CD2 4.07Å; F50-F114 AromaticContact CD1-CE1 4Å; F50-F114 HydrophobicContact CD1-CE1 4Å; F50-F114 AromaticContact CD1-CE2 3.86Å; F50-F114 HydrophobicContact CD1-CE2 3.86Å; F50-F114 HydrophobicContact CD1-CG 4.24Å; F50-F114 AromaticContact CD1-CZ 3.8Å; F50-F114 HydrophobicContact CD1-CZ 3.8Å; F50-F114 HydrophobicContact CD2-CD2 4.32Å; F50-F114 AromaticContact CD2-CE2 3.71Å; F50-F114 HydrophobicContact CD2-CE2 3.71Å; F50-F114 HydrophobicContact CD2-CZ 4.12Å; F50-F114 HydrophobicContact CE1-CB 4.33Å; F50-F114 HydrophobicContact CE1-CD1 4.14Å; F50-F114 AromaticContact CE1-CD2 3.59Å; F50-F114 HydrophobicContact CE1-CD2 3.59Å; F50-F114 HydrophobicContact CE1-CE1 4.34Å; F50-F114 AromaticContact CE1-CE2 3.83Å; F50-F114 HydrophobicContact CE1-CE2 3.83Å; F50-F114 AromaticContact CE1-CG 3.75Å; F50-F114 HydrophobicContact CE1-CG 3.75Å; F50-F114 HydrophobicContact CE1-CZ 4.19Å; F50-F114 AromaticContact CE2-CD2 3.87Å; F50-F114 HydrophobicContact CE2-CD2 3.87Å; F50-F114 AromaticContact CE2-CE2 3.68Å; F50-F114 HydrophobicContact CE2-CE2 3.68Å; F50-F114 HydrophobicContact CE2-CZ 4.48Å; F50-F114 HydrophobicContact CG-CD2 4.41Å; F50-F114 HydrophobicContact CG-CE1 4.37Å; F50-F114 AromaticContact CG-CE2 3.79Å; F50-F114 HydrophobicContact CG-CE2 3.79Å; F50-F114 AromaticContact CG-CZ 3.76Å; F50-F114 HydrophobicContact CG-CZ 3.76Å; F50-F114 AromaticContact CZ-CD2 3.47Å; F50-F114 HydrophobicContact CZ-CD2 3.47Å; F50-F114 VanDerWaalsContact CZ-CD2 3.47Å; F50-F114 AromaticContact CZ-CE2 3.74Å; F50-F114 HydrophobicContact CZ-CE2 3.74Å; F50-F114 HydrophobicContact CZ-CG 4.06Å; F50-A159 HydrophobicContact CE1-CB 4Å; F50-L160 PolarHBondContact N-O 3.42Å; F50-L160 VanDerWaalsContact N-O 3.16Å; F50-V161 HydrophobicContact CE1-CG2 4.25Å; F50-V161 HydrophobicContact CE2-CG1 4.28Å; F50-V161 HydrophobicContact CE2-CG2 3.84Å; F50-V161 HydrophobicContact CZ-CG2 3.65Å; F50-V161 VanDerWaalsContact O-CA 3.29Å; F50-V161 WeakPolarHBondContact O-CA 3.33Å; F50-N162 PolarHBondContact O-N 2.79Å
51N97Very high98Very high104 Ų10429.3 Ų29.356%0.55616%0.157SC*.  trans-88.2153.6172.4-63.9-28.2000111.4R81 N162N51-R81 PolarHBondContact O-NH1 2.99Å; N51-R81 PolarHBondContact O-NH2 2.87Å; N51-R81 VanDerWaalsContact O-NH2 3.14Å; N51-N162 WeakPolarHBondContact CA-OD1 3.38Å; N51-N162 WeakPolarHBondContact CB-OD1 3.14Å
52G94.8Very high97.9Very high17 Ų1729.3 Ų29.318%0.17516%0.157CC..SBendtrans-66.8-178.8171.500000113.3R81 N162G52-R81 PolarHBondContact O-NH1 3.16Å; G52-N162 PolarHBondContact N-OD1 3.18Å
53P97.8Very high97.8Very high67 Ų6726.5 Ų26.544%0.43514%0.144SC..  cis-72.5153.90.831-36.6000112.7R81 V281P53-R81 PolarHBondContact O-NH1 3.39Å; P53-V281 CarbonylContact C-O 3.52Å; P53-V281 WeakPolarHBondContact CA-O 3.35Å; P53-V281 WeakPolarHBondContact CB-O 3.2Å
54V98.6Very high97.8Very high2 Ų219.7 Ų19.71%0.01211%0.114CC..EExtended strand (participates in β ladder)trans-154.4144.3177.965.40000111.7F50 I56 R81 L83 V161 V281F50-V54 HydrophobicContact CE2-CB 3.96Å; F50-V54 HydrophobicContact CE2-CG1 4.02Å; F50-V54 HydrophobicContact CE2-CG2 3.91Å; F50-V54 HydrophobicContact CZ-CG2 4.23Å; V54-I56 HydrophobicContact CG1-CD1 4.4Å; V54-I56 HydrophobicContact CG1-CG1 4.04Å; V54-R81 HydrophobicContact CG2-CB 4.44Å; V54-L83 HydrophobicContact CG2-CB 3.87Å; V54-V161 HydrophobicContact CG1-CG1 3.86Å; V54-V161 HydrophobicContact CG1-CG2 4.28Å; V54-V281 HydrophobicContact CG1-CB 4.13Å; V54-V281 HydrophobicContact CG1-CG2 4.4Å; V54-V281 PolarHBondContact N-O 2.93Å; V54-V281 PolarHBondContact O-N 3.31Å
55N98.7Very high97.7Very high4 Ų420.4 Ų20.42%0.02112%0.123CC..EExtended strand (participates in β ladder)trans-95.9116.6169.3-57.7-85.7000108.5Q80 R81 Y82 L83 I278 L279N55-Q80 PolarHBondContact ND2-OE1 2.78Å; N55-R81 WeakPolarHBondContact CB-O 3.29Å; N55-R81 PolarHBondContact N-O 3.09Å; N55-R81 PolarHBondContact ND2-O 2.97Å; N55-Y82 HydrophobicContact CB-CD1 3.75Å; N55-Y82 HydrophobicContact CB-CE1 3.69Å; N55-Y82 HydrophobicContact CB-CG 4.5Å; N55-Y82 CarbonylContact O-C 3.55Å; N55-Y82 VanDerWaalsContact O-CA 3.28Å; N55-Y82 WeakPolarHBondContact O-CA 3.44Å; N55-L83 PolarHBondContact O-N 3.45Å; N55-I278 HydrophobicContact CB-CG2 3.91Å; N55-L279 CarbonylContact C-O 3.56Å
56I98.8Very high97.6Very high0 Ų019.1 Ų19.10%011%0.109CC..EExtended strand (participates in β ladder)trans-96.9120.9-180-50.1177.7000109V54 L83 L85 V241 I278 L279 V281V54-I56 HydrophobicContact CG1-CD1 4.4Å; V54-I56 HydrophobicContact CG1-CG1 4.04Å; I56-L83 CarbonylContact C-O 3.43Å; I56-L83 WeakPolarHBondContact CA-O 3.48Å; I56-L83 HydrophobicContact CD1-CD2 4.32Å; I56-L83 HydrophobicContact CG1-CB 4.27Å; I56-L83 HydrophobicContact CG1-CD2 4.2Å; I56-L83 HydrophobicContact CG2-CB 4.49Å; I56-L83 HydrophobicContact CG2-CD2 4.15Å; I56-L83 HydrophobicContact CG2-CG 4.37Å; I56-L85 HydrophobicContact CG2-CD1 3.77Å; I56-L85 HydrophobicContact CG2-CD2 3.76Å; I56-L85 HydrophobicContact CG2-CG 3.76Å; I56-V241 HydrophobicContact CB-CG1 4.45Å; I56-V241 HydrophobicContact CD1-CB 4.46Å; I56-V241 HydrophobicContact CD1-CG1 4.31Å; I56-V241 HydrophobicContact CD1-CG2 4.21Å; I56-V241 HydrophobicContact CG2-CG1 3.81Å; I56-I278 WeakPolarHBondContact O-CG2 3.47Å; I56-L279 HydrophobicContact CB-CB 4.27Å; I56-L279 HydrophobicContact CD1-CD2 4.37Å; I56-L279 PolarHBondContact N-O 3.06Å; I56-L279 PolarHBondContact O-N 3.48Å; I56-V281 HydrophobicContact CD1-CG2 3.93Å
57C98.9Very high97.6Very high0 Ų019.1 Ų19.10%011%0.109CC..EExtended strand (participates in β ladder)trans-114134.8-175.4-56.40000110L70 L83 F84 L85C57-L70 HydrophobicContact CB-CD1 4.43Å; C57-L83 PolarHBondContact N-O 3.29Å; C57-F84 HydrophobicContact CB-CD1 3.53Å; C57-F84 HydrophobicContact CB-CE1 3.63Å; C57-F84 HydrophobicContact CB-CG 4.17Å; C57-F84 HydrophobicContact CB-CZ 4.35Å; C57-L85 WeakPolarHBondContact O-CB 3.3Å; C57-L85 WeakPolarHBondContact O-CG 3.29Å; C57-L85 PolarHBondContact O-N 3.03Å
58G98.7Very high97.5Very high0 Ų019.5 Ų19.50%011%0.111CC..  trans-82.3-149173.100000112.4I262 S264G58-I262 WeakPolarHBondContact CA-O 3.21Å; G58-S264 PolarHBondContact N-OG 3.04Å
59D98.8Very high97.3Very high1 Ų122.3 Ų22.31%0.00512%0.122CC..BIsolated β-bridgetrans-58.9145.1-177-4868.4000112.8H61 D87 H169 A243 H244 F263 S264 A265D59-H61 IonicContact OD2-NE2 3.77Å; D59-D87 HydrophobicContact CB-CB 4.23Å; D59-D87 WeakPolarHBondContact OD2-CB 3.4Å; D59-H169 IonicContact OD2-CE1 3.58Å; D59-H169 PolarHBondContact OD2-CE1 3.04Å; D59-H169 VanDerWaalsContact OD2-CE1 3.3Å; D59-A243 WeakPolarHBondContact OD1-CB 3.14Å; D59-H244 PolarHBondContact OD1-N 3.35Å; D59-H244 WeakPolarHBondContact OD2-CA 3.42Å; D59-H244 PolarHBondContact OD2-N 3.26Å; D59-F263 HydrophobicContact CB-CD2 3.8Å; D59-F263 HydrophobicContact CB-CE1 4.42Å; D59-F263 HydrophobicContact CB-CE2 3.39Å; D59-F263 HydrophobicContact CB-CG 4.47Å; D59-F263 HydrophobicContact CB-CZ 3.72Å; D59-F263 VanDerWaalsContact CG-CD2 3.48Å; D59-F263 WeakPolarHBondContact OD1-CD2 3.29Å; D59-F263 VanDerWaalsContact OD1-CE2 3.29Å; D59-F263 WeakPolarHBondContact OD1-CE2 3.33Å; D59-S264 CarbonylContact O-C 3.56Å; D59-S264 VanDerWaalsContact O-C 3.27Å; D59-S264 WeakPolarHBondContact O-CA 3.49Å; D59-S264 WeakPolarHBondContact O-CB 3.31Å; D59-S264 PolarHBondContact O-N 2.94Å; D59-A265 PolarHBondContact O-N 3.47Å; D59-A265 VanDerWaalsContact O-N 3.14Å
60I98.6Very high97.3Very high2 Ų218.8 Ų18.81%0.0111%0.105CC..  trans-123-38.3178.7-58.3-63.2000111.9G62 Q63 L67 F84 D87 C98I60-G62 PolarHBondContact O-N 2.79Å; I60-Q63 WeakPolarHBondContact O-CB 3.42Å; I60-Q63 PolarHBondContact O-N 2.96Å; I60-L67 HydrophobicContact CD1-CD1 4.16Å; I60-L67 HydrophobicContact CG2-CB 4.14Å; I60-F84 HydrophobicContact CD1-CE1 4.27Å; I60-F84 HydrophobicContact CG1-CD1 4.3Å; I60-F84 HydrophobicContact CG1-CE1 4.38Å; I60-D87 PolarHBondContact N-O 2.77Å; I60-C98 HydrophobicContact CG2-CB 4.34Å
61H98.1Very high97.3Very high4 Ų418 Ų182%0.01910%0.102CC..THydrogen-bonded Turntrans45.154.5173.2-78.2-58.2000114.8D59 Q63 D87 V89 D90 R91 G92 H120 Y268D59-H61 IonicContact OD2-NE2 3.77Å; H61-Q63 PolarHBondContact O-N 3.26Å; H61-D87 IonicContact CE1-OD2 2.75Å; H61-D87 PolarHBondContact CE1-OD2 2.72Å; H61-D87 PolarHBondContact N-O 3.05Å; H61-D87 IonicContact NE2-OD2 3.69Å; H61-V89 PolarHBondContact ND1-O 2.74Å; H61-D90 CarbonylContact C-O 3.49Å; H61-D90 WeakPolarHBondContact CA-O 3.35Å; H61-D90 WeakPolarHBondContact CB-O 3.44Å; H61-R91 HydrophobicContact CB-CB 4.18Å; H61-G92 WeakPolarHBondContact O-CA 3.3Å; H61-G92 PolarHBondContact O-N 3.29Å; H61-H120 AromaticContact CE1-CD2 3.56Å; H61-H120 AromaticContact CE1-CG 3.78Å; H61-H120 AromaticContact CE1-NE2 3.74Å; H61-Y268 HydrophobicContact CB-CE2 3.82Å; H61-Y268 AromaticContact CD2-CE2 3.21Å; H61-Y268 WeakPolarHBondContact CD2-CE2 3.27Å; H61-Y268 AromaticContact CD2-CZ 3.6Å; H61-Y268 PolarHBondContact CD2-OH 3.41Å; H61-Y268 AromaticContact CG-CE2 3.71Å; H61-Y268 AromaticContact NE2-CE2 3.91Å; H61-Y268 AromaticContact NE2-CZ 3.81Å; H61-Y268 PolarHBondContact NE2-OH 2.89Å; H61-Y268 VanDerWaalsContact NE2-OH 3.07Å
62G96.8Very high97.2Very high0 Ų018.1 Ų18.10%010%0.102CC..THydrogen-bonded Turntrans63.711.5177.200000116.2I60 Y64 Y88 Q94I60-G62 PolarHBondContact O-N 2.79Å; G62-Y64 PolarHBondContact O-N 3.05Å; G62-Y88 PolarHBondContact N-O 2.87Å; G62-Q94 CarbonylContact O-C 3.55Å; G62-Q94 WeakPolarHBondContact O-CA 3.41Å; G62-Q94 WeakPolarHBondContact O-CB 3.25Å; G62-Q94 PolarHBondContact O-N 2.94Å
63Q96.1Very high97.2Very high27 Ų2720.4 Ų20.413%0.12611%0.109CC..  trans-80.866.3173.9-68.6-172.8-127.800111.7I60 H61 S65 D66 L67 P266I60-Q63 WeakPolarHBondContact O-CB 3.42Å; I60-Q63 PolarHBondContact O-N 2.96Å; H61-Q63 PolarHBondContact O-N 3.26Å; Q63-S65 VanDerWaalsContact C-N 3.31Å; Q63-S65 PolarHBondContact O-N 3.02Å; Q63-D66 HydrophobicContact CB-CB 4.17Å; Q63-D66 PolarHBondContact NE2-OD2 2.86Å; Q63-D66 PolarHBondContact O-N 2.86Å; Q63-L67 PolarHBondContact O-N 2.78Å; Q63-P266 PolarHBondContact NE2-O 3.31Å
64Y96.1Very high97.1Very high1 Ų118.1 Ų18.10%0.0049%0.094CC..Hα-helixtrans-58-38.5-171.4-176-113.2000114.6L13 L14 Q16 V17 G62 D66 L67 V68 Q94 E97 C98 L101L13-Y64 PolarHBondContact O-OH 3.14Å; L14-Y64 PolarHBondContact N-OH 3.17Å; Q16-Y64 HydrophobicContact CB-CD1 4.48Å; Q16-Y64 HydrophobicContact CB-CE1 3.97Å; V17-Y64 HydrophobicContact CG2-CD1 4.04Å; V17-Y64 HydrophobicContact CG2-CE1 3.59Å; G62-Y64 PolarHBondContact O-N 3.05Å; Y64-D66 VanDerWaalsContact C-N 3.28Å; Y64-D66 PolarHBondContact O-N 3.21Å; Y64-L67 HydrophobicContact CD2-CD2 4.44Å; Y64-L67 PolarHBondContact O-N 3.2Å; Y64-V68 HydrophobicContact CD1-CG2 4.46Å; Y64-V68 HydrophobicContact CE1-CG2 3.95Å; Y64-V68 HydrophobicContact CE2-CG2 4.06Å; Y64-V68 WeakPolarHBondContact O-CG2 3.3Å; Y64-V68 PolarHBondContact O-N 3.33Å; Y64-Q94 HydrophobicContact CG-CB 4.45Å; Y64-E97 HydrophobicContact CD1-CB 3.98Å; Y64-E97 HydrophobicContact CD2-CB 3.56Å; Y64-E97 HydrophobicContact CE1-CB 4.26Å; Y64-E97 HydrophobicContact CE2-CB 3.85Å; Y64-E97 WeakPolarHBondContact CE2-O 3.21Å; Y64-E97 HydrophobicContact CG-CB 3.63Å; Y64-C98 WeakPolarHBondContact CA-SG 3.45Å; Y64-C98 PolarHBondContact N-SG 2.84Å; Y64-L101 HydrophobicContact CE2-CB 4.06Å; Y64-L101 HydrophobicContact CE2-CD2 3.68Å; Y64-L101 HydrophobicContact CE2-CG 4.47Å
65S94.8Very high97.1Very high46 Ų4619 Ų1932%0.32210%0.104SC..Hα-helixtrans-64.2-36.1177.9-62.90000111.8Q63 R69Q63-S65 VanDerWaalsContact C-N 3.31Å; Q63-S65 PolarHBondContact O-N 3.02Å; S65-R69 VanDerWaalsContact O-CB 3.32Å; S65-R69 WeakPolarHBondContact O-CB 3.46Å; S65-R69 PolarHBondContact O-N 2.83Å
66D95.7Very high97.1Very high20 Ų2021.8 Ų21.811%0.10711%0.114CC..Hα-helixtrans-74-35.9176.8-64-58.6000111.7Q63 Y64 R69 L70 P266Q63-D66 HydrophobicContact CB-CB 4.17Å; Q63-D66 PolarHBondContact NE2-OD2 2.86Å; Q63-D66 PolarHBondContact O-N 2.86Å; Y64-D66 VanDerWaalsContact C-N 3.28Å; Y64-D66 PolarHBondContact O-N 3.21Å; D66-R69 WeakPolarHBondContact O-CB 3.48Å; D66-R69 PolarHBondContact O-N 3.4Å; D66-L70 WeakPolarHBondContact O-CB 3.19Å; D66-L70 PolarHBondContact O-N 3.13Å; D66-P266 HydrophobicContact CB-CG 4.13Å; D66-P266 WeakPolarHBondContact OD1-CG 3.37Å
67L97.4Very high97Very high1 Ų122.2 Ų22.21%0.00512%0.117CC..Hα-helixtrans-60.2-44.7170.4176.762.7000111.9I60 Q63 Y64 L70 F71 F84 C98 L101 L102I60-L67 HydrophobicContact CD1-CD1 4.16Å; I60-L67 HydrophobicContact CG2-CB 4.14Å; Q63-L67 PolarHBondContact O-N 2.78Å; Y64-L67 HydrophobicContact CD2-CD2 4.44Å; Y64-L67 PolarHBondContact O-N 3.2Å; L67-L70 WeakPolarHBondContact O-CB 3.49Å; L67-L70 PolarHBondContact O-N 3.27Å; L67-F71 HydrophobicContact CD1-CD2 4.43Å; L67-F71 HydrophobicContact CD1-CE2 3.7Å; L67-F71 HydrophobicContact CD1-CZ 3.79Å; L67-F71 HydrophobicContact CD2-CE2 4.38Å; L67-F71 HydrophobicContact CG-CD2 4.37Å; L67-F71 HydrophobicContact CG-CE2 3.79Å; L67-F71 HydrophobicContact CG-CZ 4.39Å; L67-F71 WeakPolarHBondContact O-CD2 3.38Å; L67-F71 PolarHBondContact O-N 3.12Å; L67-F84 HydrophobicContact CD1-CE1 3.7Å; L67-F84 HydrophobicContact CD1-CZ 3.9Å; L67-C98 HydrophobicContact CD2-CB 4.22Å; L67-L101 HydrophobicContact CD2-CD2 4.32Å; L67-L102 HydrophobicContact CD1-CD2 4.27Å; L67-L102 HydrophobicContact CD2-CD2 4.32Å; L67-L102 HydrophobicContact CD2-CG 4.21Å
68V97.1Very high96.9Very high10 Ų1025 Ų256%0.06114%0.135CC..Hα-helixtrans-68.1-38.5176.71740000111.1L14 V17 Y64 L70 F71 N72 L101L14-V68 HydrophobicContact CD2-CG2 4.22Å; V17-V68 HydrophobicContact CG2-CB 3.93Å; V17-V68 HydrophobicContact CG2-CG1 3.97Å; V17-V68 HydrophobicContact CG2-CG2 3.67Å; Y64-V68 HydrophobicContact CD1-CG2 4.46Å; Y64-V68 HydrophobicContact CE1-CG2 3.95Å; Y64-V68 HydrophobicContact CE2-CG2 4.06Å; Y64-V68 WeakPolarHBondContact O-CG2 3.3Å; Y64-V68 PolarHBondContact O-N 3.33Å; V68-L70 VanDerWaalsContact C-N 3.32Å; V68-L70 PolarHBondContact O-N 3.42Å; V68-F71 PolarHBondContact O-N 3.1Å; V68-N72 VanDerWaalsContact O-CG 3.3Å; V68-N72 PolarHBondContact O-N 3.23Å; V68-N72 PolarHBondContact O-ND2 3.07Å; V68-L101 HydrophobicContact CG2-CD2 4.3Å
69R95.3Very high96.9Very high70 Ų7034 Ų3426%0.26417%0.174SC..Hα-helixtrans-60.1-41.7173179-178.1167.9-163-2.3111.7S65 D66 F71 N72 M73 R293S65-R69 VanDerWaalsContact O-CB 3.32Å; S65-R69 WeakPolarHBondContact O-CB 3.46Å; S65-R69 PolarHBondContact O-N 2.83Å; D66-R69 WeakPolarHBondContact O-CB 3.48Å; D66-R69 PolarHBondContact O-N 3.4Å; R69-F71 VanDerWaalsContact C-N 3.34Å; R69-F71 PolarHBondContact O-N 3.41Å; R69-N72 PolarHBondContact O-N 3.17Å; R69-M73 HydrophobicContact CG-CG 4.39Å; R69-M73 HydrophobicContact CG-SD 4.05Å; R69-M73 WeakPolarHBondContact O-CB 3.47Å; R69-M73 VanDerWaalsContact O-CG 3.29Å; R69-M73 WeakPolarHBondContact O-CG 3.48Å; R69-M73 PolarHBondContact O-N 2.53Å; R69-R293 PolarHBondContact NH1-O 2.91Å; R69-R293 PolarHBondContact NH2-O 3.48Å
70L97.3Very high96.8Very high1 Ų137.3 Ų37.31%0.00519%0.19CC..Hα-helixtrans-55.8-47.6174.5175.4153.3000111.2C57 D66 L67 V68 M73 T74 Y82 I278 F292C57-L70 HydrophobicContact CB-CD1 4.43Å; D66-L70 WeakPolarHBondContact O-CB 3.19Å; D66-L70 PolarHBondContact O-N 3.13Å; L67-L70 WeakPolarHBondContact O-CB 3.49Å; L67-L70 PolarHBondContact O-N 3.27Å; V68-L70 VanDerWaalsContact C-N 3.32Å; V68-L70 PolarHBondContact O-N 3.42Å; L70-M73 PolarHBondContact O-N 3.41Å; L70-T74 PolarHBondContact O-N 3.05Å; L70-T74 PolarHBondContact O-OG1 3.33Å; L70-Y82 HydrophobicContact CD2-CD1 4.35Å; L70-Y82 HydrophobicContact CD2-CE1 3.79Å; L70-I278 HydrophobicContact CD1-CD1 3.62Å; L70-I278 HydrophobicContact CD1-CG1 3.75Å; L70-I278 HydrophobicContact CD2-CD1 4.24Å; L70-I278 HydrophobicContact CG-CD1 3.47Å; L70-I278 VanDerWaalsContact CG-CD1 3.47Å; L70-I278 HydrophobicContact CG-CG1 4.2Å; L70-F292 HydrophobicContact CD1-CE1 4.5Å; L70-F292 HydrophobicContact CD1-CZ 4.44Å
71F97.6Very high96.8Very high1 Ų139.8 Ų39.80%0.00420%0.199CC..Hα-helixtrans-66.8-38.1175.4-64.7-45.5000113.1L67 V68 R69 M73 G75 Y76 Y82 F84 L101 L102 Y105L67-F71 HydrophobicContact CD1-CD2 4.43Å; L67-F71 HydrophobicContact CD1-CE2 3.7Å; L67-F71 HydrophobicContact CD1-CZ 3.79Å; L67-F71 HydrophobicContact CD2-CE2 4.38Å; L67-F71 HydrophobicContact CG-CD2 4.37Å; L67-F71 HydrophobicContact CG-CE2 3.79Å; L67-F71 HydrophobicContact CG-CZ 4.39Å; L67-F71 WeakPolarHBondContact O-CD2 3.38Å; L67-F71 PolarHBondContact O-N 3.12Å; V68-F71 PolarHBondContact O-N 3.1Å; R69-F71 VanDerWaalsContact C-N 3.34Å; R69-F71 PolarHBondContact O-N 3.41Å; F71-M73 PolarHBondContact O-N 2.59Å; F71-G75 WeakPolarHBondContact CA-O 3.24Å; F71-G75 CarbonylContact O-C 3.57Å; F71-G75 VanDerWaalsContact O-CA 3.23Å; F71-G75 WeakPolarHBondContact O-CA 3.46Å; F71-G75 PolarHBondContact O-N 2.84Å; F71-Y76 HydrophobicContact CB-CD1 3.58Å; F71-Y76 HydrophobicContact CB-CD2 4.12Å; F71-Y76 HydrophobicContact CB-CE1 3.4Å; F71-Y76 HydrophobicContact CB-CE2 3.92Å; F71-Y76 HydrophobicContact CB-CG 3.98Å; F71-Y76 HydrophobicContact CD2-CD1 4.2Å; F71-Y76 AromaticContact CD2-CE1 3.98Å; F71-Y76 HydrophobicContact CD2-CE1 3.98Å; F71-Y76 AromaticContact CG-CD1 3.96Å; F71-Y76 HydrophobicContact CG-CD1 3.96Å; F71-Y76 AromaticContact CG-CE1 3.97Å; F71-Y76 HydrophobicContact CG-CE1 3.97Å; F71-Y82 HydrophobicContact CD1-CE1 4.13Å; F71-Y82 HydrophobicContact CD1-CE2 4.19Å; F71-Y82 AromaticContact CD1-CZ 3.89Å; F71-Y82 HydrophobicContact CE1-CD1 4.17Å; F71-Y82 HydrophobicContact CE1-CD2 4.26Å; F71-Y82 HydrophobicContact CE1-CE1 4.05Å; F71-Y82 HydrophobicContact CE1-CE2 4.12Å; F71-Y82 HydrophobicContact CE1-CG 4.3Å; F71-F84 HydrophobicContact CE1-CE2 4.32Å; F71-F84 AromaticContact CE1-CZ 3.86Å; F71-F84 HydrophobicContact CE1-CZ 3.86Å; F71-F84 HydrophobicContact CZ-CE2 4.24Å; F71-F84 AromaticContact CZ-CZ 3.73Å; F71-F84 HydrophobicContact CZ-CZ 3.73Å; F71-L101 HydrophobicContact CD2-CD2 4.34Å; F71-L101 HydrophobicContact CE2-CD2 3.94Å; F71-L102 HydrophobicContact CZ-CD2 4.09Å; F71-Y105 HydrophobicContact CE2-CD2 4.46Å; F71-Y105 HydrophobicContact CE2-CE2 4.16Å; F71-Y105 HydrophobicContact CZ-CD2 4.49Å
72N95.9Very high96.8Very high107 Ų10739.6 Ų39.657%0.57220%0.198SC*.Hα-helixtrans-62.4-33.9173.9-69.4-29.2000112.2V68 R69 Y76V68-N72 VanDerWaalsContact O-CG 3.3Å; V68-N72 PolarHBondContact O-N 3.23Å; V68-N72 PolarHBondContact O-ND2 3.07Å; R69-N72 PolarHBondContact O-N 3.17Å; N72-Y76 VanDerWaalsContact OD1-CE2 3.25Å; N72-Y76 WeakPolarHBondContact OD1-CE2 3.26Å; N72-Y76 PolarHBondContact OD1-OH 3.32Å
73M95Very high96.9Very high64 Ų6439.6 Ų39.632%0.31520%0.198SC..Hα-helixtrans-81.7-32.8-178.1-74.5-176.658.300114R69 L70 F71 K290 F292R69-M73 HydrophobicContact CG-CG 4.39Å; R69-M73 HydrophobicContact CG-SD 4.05Å; R69-M73 WeakPolarHBondContact O-CB 3.47Å; R69-M73 VanDerWaalsContact O-CG 3.29Å; R69-M73 WeakPolarHBondContact O-CG 3.48Å; R69-M73 PolarHBondContact O-N 2.53Å; L70-M73 PolarHBondContact O-N 3.41Å; F71-M73 PolarHBondContact O-N 2.59Å; M73-K290 PolarHBondContact O-NZ 3.41Å; M73-F292 HydrophobicContact CE-CB 3.46Å; M73-F292 VanDerWaalsContact CE-CB 3.46Å; M73-F292 HydrophobicContact CE-CG 4.41Å; M73-F292 HydrophobicContact SD-CB 3.55Å; M73-F292 VanDerWaalsContact SD-CB 3.55Å; M73-F292 HydrophobicContact SD-CG 4.18Å
74T95.9Very high97.1Very high20 Ų2038.3 Ų38.312%0.12319%0.192CC..Hα-helixtrans-105.8-29-175.351.40000113.1L70 Q80 Y82 I278 K290L70-T74 PolarHBondContact O-N 3.05Å; L70-T74 PolarHBondContact O-OG1 3.33Å; T74-Q80 VanDerWaalsContact O-CG 3.23Å; T74-Q80 WeakPolarHBondContact O-CG 3.36Å; T74-Y82 WeakPolarHBondContact CB-OH 3.37Å; T74-Y82 PolarHBondContact OG1-OH 2.72Å; T74-I278 HydrophobicContact CG2-CD1 3.53Å; T74-K290 HydrophobicContact CG2-CD 4.06Å
75G97.5Very high97.2Very high21 Ų2138.3 Ų38.322%0.21619%0.192CC..  trans122.8163.5-170.900000111F71 Y82F71-G75 WeakPolarHBondContact CA-O 3.24Å; F71-G75 CarbonylContact O-C 3.57Å; F71-G75 VanDerWaalsContact O-CA 3.23Å; F71-G75 WeakPolarHBondContact O-CA 3.46Å; F71-G75 PolarHBondContact O-N 2.84Å; G75-Y82 PolarHBondContact O-OH 2.74Å
76Y97.9Very high97.4Very high62 Ų6236.1 Ų36.124%0.24318%0.177CC..  trans-102.1150.9174.9-75.5-95.3000110.8L14 F71 N72 K79 Q80 Y105L14-Y76 HydrophobicContact CD2-CE1 4.15Å; F71-Y76 HydrophobicContact CB-CD1 3.58Å; F71-Y76 HydrophobicContact CB-CD2 4.12Å; F71-Y76 HydrophobicContact CB-CE1 3.4Å; F71-Y76 HydrophobicContact CB-CE2 3.92Å; F71-Y76 HydrophobicContact CB-CG 3.98Å; F71-Y76 HydrophobicContact CD2-CD1 4.2Å; F71-Y76 AromaticContact CD2-CE1 3.98Å; F71-Y76 HydrophobicContact CD2-CE1 3.98Å; F71-Y76 AromaticContact CG-CD1 3.96Å; F71-Y76 HydrophobicContact CG-CD1 3.96Å; F71-Y76 AromaticContact CG-CE1 3.97Å; F71-Y76 HydrophobicContact CG-CE1 3.97Å; N72-Y76 VanDerWaalsContact OD1-CE2 3.25Å; N72-Y76 WeakPolarHBondContact OD1-CE2 3.26Å; N72-Y76 PolarHBondContact OD1-OH 3.32Å; Y76-K79 WeakPolarHBondContact O-CB 3.42Å; Y76-K79 PolarHBondContact O-N 3.39Å; Y76-Q80 PolarHBondContact O-N 3.36Å; Y76-Y105 HydrophobicContact CD1-CE2 4.48Å; Y76-Y105 AromaticContact CD1-CZ 3.96Å; Y76-Y105 WeakPolarHBondContact CD1-OH 3.36Å
77P98Very high97.5Very high8 Ų835.2 Ų35.25%0.05217%0.172CC..THydrogen-bonded Turntrans-56.2140.4166.4-20.630.6000111.5Y82 Y105 Y109 V113P77-Y82 HydrophobicContact CG-CD2 3.77Å; P77-Y82 HydrophobicContact CG-CE2 3.94Å; P77-Y105 HydrophobicContact CB-CD1 3.75Å; P77-Y105 HydrophobicContact CB-CE1 4.23Å; P77-Y105 HydrophobicContact CB-CG 4.21Å; P77-Y105 HydrophobicContact CG-CD1 3.83Å; P77-Y105 HydrophobicContact CG-CD2 4.29Å; P77-Y105 HydrophobicContact CG-CE1 4.24Å; P77-Y105 HydrophobicContact CG-CG 3.89Å; P77-Y109 HydrophobicContact CB-CD2 3.93Å; P77-Y109 HydrophobicContact CB-CE2 4.47Å; P77-V113 HydrophobicContact CB-CG2 3.75Å; P77-V113 HydrophobicContact CG-CG2 3.59Å
78P97.3Very high97.6Very high60 Ų6035.2 Ų35.239%0.3917%0.172SC..THydrogen-bonded Turncis-93.844.238-32.4000113.4Q80 Y109P78-Q80 PolarHBondContact O-N 3.07Å; P78-Q80 VanDerWaalsContact O-N 3.16Å; P78-Y109 HydrophobicContact CB-CD1 3.61Å; P78-Y109 HydrophobicContact CB-CD2 4.4Å; P78-Y109 HydrophobicContact CB-CE1 3.88Å; P78-Y109 HydrophobicContact CB-CG 3.89Å; P78-Y109 VanDerWaalsContact CD-CZ 3.47Å; P78-Y109 HydrophobicContact CG-CD1 3.81Å; P78-Y109 HydrophobicContact CG-CE1 3.51Å; P78-Y109 HydrophobicContact CG-CE2 4.47Å; P78-Y109 HydrophobicContact CG-CG 4.4Å
79K97.1Very high97.7Very high188 Ų18834.7 Ų34.782%0.81717%0.169SC*.THydrogen-bonded Turntrans-58.6-29.6-179.9-62.9-175.5177.4-176.50111.7Y76Y76-K79 WeakPolarHBondContact O-CB 3.42Å; Y76-K79 PolarHBondContact O-N 3.39Å
80Q97.5Very high97.8Very high70 Ų7031.4 Ų31.433%0.32716%0.156SC..SBendtrans-125.9147.6171.9-69.9-60.3-2400110.1N55 T74 Y76 P78 Y82N55-Q80 PolarHBondContact ND2-OE1 2.78Å; T74-Q80 VanDerWaalsContact O-CG 3.23Å; T74-Q80 WeakPolarHBondContact O-CG 3.36Å; Y76-Q80 PolarHBondContact O-N 3.36Å; P78-Q80 PolarHBondContact O-N 3.07Å; P78-Q80 VanDerWaalsContact O-N 3.16Å; Q80-Y82 HydrophobicContact CB-CD2 4.45Å; Q80-Y82 HydrophobicContact CB-CE2 3.48Å; Q80-Y82 VanDerWaalsContact CB-CE2 3.48Å; Q80-Y82 WeakPolarHBondContact CB-OH 3.35Å; Q80-Y82 WeakPolarHBondContact O-CE2 3.45Å
81R98.4Very high97.7Very high55 Ų5536.4 Ų36.421%0.20818%0.175CC..  trans-98.9145175.7-62.9176.464.5-151.31.9110F50 N51 G52 P53 V54 N55 Q111 S112F50-R81 VanDerWaalsContact CD2-NH2 3.31Å; N51-R81 PolarHBondContact O-NH1 2.99Å; N51-R81 PolarHBondContact O-NH2 2.87Å; N51-R81 VanDerWaalsContact O-NH2 3.14Å; G52-R81 PolarHBondContact O-NH1 3.16Å; P53-R81 PolarHBondContact O-NH1 3.39Å; V54-R81 HydrophobicContact CG2-CB 4.44Å; N55-R81 WeakPolarHBondContact CB-O 3.29Å; N55-R81 PolarHBondContact N-O 3.09Å; N55-R81 PolarHBondContact ND2-O 2.97Å; R81-Q111 PolarHBondContact NE-O 3.37Å; R81-S112 CarbonylContact C-O 3.5Å; R81-S112 WeakPolarHBondContact CA-O 3.41Å
82Y98.9Very high97.6Very high0 Ų037.2 Ų37.20%018%0.183CC..EExtended strand (participates in β ladder)trans-133139.2-175.3-66.6-90.5000112N55 L70 F71 T74 G75 P77 Q80 F84 S112 V113 F114N55-Y82 HydrophobicContact CB-CD1 3.75Å; N55-Y82 HydrophobicContact CB-CE1 3.69Å; N55-Y82 HydrophobicContact CB-CG 4.5Å; N55-Y82 CarbonylContact O-C 3.55Å; N55-Y82 VanDerWaalsContact O-CA 3.28Å; N55-Y82 WeakPolarHBondContact O-CA 3.44Å; L70-Y82 HydrophobicContact CD2-CD1 4.35Å; L70-Y82 HydrophobicContact CD2-CE1 3.79Å; F71-Y82 HydrophobicContact CD1-CE1 4.13Å; F71-Y82 HydrophobicContact CD1-CE2 4.19Å; F71-Y82 AromaticContact CD1-CZ 3.89Å; F71-Y82 HydrophobicContact CE1-CD1 4.17Å; F71-Y82 HydrophobicContact CE1-CD2 4.26Å; F71-Y82 HydrophobicContact CE1-CE1 4.05Å; F71-Y82 HydrophobicContact CE1-CE2 4.12Å; F71-Y82 HydrophobicContact CE1-CG 4.3Å; T74-Y82 WeakPolarHBondContact CB-OH 3.37Å; T74-Y82 PolarHBondContact OG1-OH 2.72Å; G75-Y82 PolarHBondContact O-OH 2.74Å; P77-Y82 HydrophobicContact CG-CD2 3.77Å; P77-Y82 HydrophobicContact CG-CE2 3.94Å; Q80-Y82 HydrophobicContact CB-CD2 4.45Å; Q80-Y82 HydrophobicContact CB-CE2 3.48Å; Q80-Y82 VanDerWaalsContact CB-CE2 3.48Å; Q80-Y82 WeakPolarHBondContact CB-OH 3.35Å; Q80-Y82 WeakPolarHBondContact O-CE2 3.45Å; Y82-F84 VanDerWaalsContact CB-CE2 3.49Å; Y82-F84 HydrophobicContact CD1-CE2 4.09Å; Y82-F84 HydrophobicContact CD1-CZ 4.17Å; Y82-F84 AromaticContact CG-CE2 3.94Å; Y82-F84 HydrophobicContact CG-CE2 3.94Å; Y82-F84 HydrophobicContact CG-CZ 4.44Å; Y82-S112 PolarHBondContact N-O 3.31Å; Y82-V113 WeakPolarHBondContact O-CA 3.43Å; Y82-F114 WeakPolarHBondContact O-CD2 3.47Å; Y82-F114 PolarHBondContact O-N 3.32Å
83L98.9Very high97.4Very high0 Ų036.5 Ų36.50%019%0.185CC..EExtended strand (participates in β ladder)trans-118.5116.3163.2173.965.5000107.6F50 V54 N55 I56 C57 L85 F114 L116 A159 V161 C167F50-L83 HydrophobicContact CZ-CB 4.24Å; F50-L83 HydrophobicContact CZ-CD1 4.45Å; F50-L83 HydrophobicContact CZ-CD2 4.3Å; V54-L83 HydrophobicContact CG2-CB 3.87Å; N55-L83 PolarHBondContact O-N 3.45Å; I56-L83 CarbonylContact C-O 3.43Å; I56-L83 WeakPolarHBondContact CA-O 3.48Å; I56-L83 HydrophobicContact CD1-CD2 4.32Å; I56-L83 HydrophobicContact CG1-CB 4.27Å; I56-L83 HydrophobicContact CG1-CD2 4.2Å; I56-L83 HydrophobicContact CG2-CB 4.49Å; I56-L83 HydrophobicContact CG2-CD2 4.15Å; I56-L83 HydrophobicContact CG2-CG 4.37Å; C57-L83 PolarHBondContact N-O 3.29Å; L83-L85 HydrophobicContact CD2-CD2 4.07Å; L83-L85 HydrophobicContact CG-CD2 4.12Å; L83-F114 WeakPolarHBondContact CA-O 3.43Å; L83-F114 HydrophobicContact CD1-CB 3.62Å; L83-L116 HydrophobicContact CD1-CD1 4.08Å; L83-L116 HydrophobicContact CD1-CD2 4.16Å; L83-L116 HydrophobicContact CD1-CG 3.8Å; L83-A159 HydrophobicContact CD1-CB 3.83Å; L83-A159 HydrophobicContact CD2-CB 3.82Å; L83-V161 HydrophobicContact CD2-CG2 4.27Å; L83-C167 HydrophobicContact CD2-CB 3.64Å
84F98.9Very high97.4Very high0 Ų034.1 Ų34.10%017%0.173CC..EExtended strand (participates in β ladder)trans-100.9127.3174.9-73.3-93.4000109.9C57 I60 L67 F71 Y82 G86 Y88 L102 F114 L115 L116C57-F84 HydrophobicContact CB-CD1 3.53Å; C57-F84 HydrophobicContact CB-CE1 3.63Å; C57-F84 HydrophobicContact CB-CG 4.17Å; C57-F84 HydrophobicContact CB-CZ 4.35Å; I60-F84 HydrophobicContact CD1-CE1 4.27Å; I60-F84 HydrophobicContact CG1-CD1 4.3Å; I60-F84 HydrophobicContact CG1-CE1 4.38Å; L67-F84 HydrophobicContact CD1-CE1 3.7Å; L67-F84 HydrophobicContact CD1-CZ 3.9Å; F71-F84 HydrophobicContact CE1-CE2 4.32Å; F71-F84 AromaticContact CE1-CZ 3.86Å; F71-F84 HydrophobicContact CE1-CZ 3.86Å; F71-F84 HydrophobicContact CZ-CE2 4.24Å; F71-F84 AromaticContact CZ-CZ 3.73Å; F71-F84 HydrophobicContact CZ-CZ 3.73Å; Y82-F84 VanDerWaalsContact CB-CE2 3.49Å; Y82-F84 HydrophobicContact CD1-CE2 4.09Å; Y82-F84 HydrophobicContact CD1-CZ 4.17Å; Y82-F84 AromaticContact CG-CE2 3.94Å; Y82-F84 HydrophobicContact CG-CE2 3.94Å; Y82-F84 HydrophobicContact CG-CZ 4.44Å; F84-G86 PolarHBondContact O-N 2.7Å; F84-Y88 HydrophobicContact CB-CE1 3.63Å; F84-Y88 WeakPolarHBondContact CB-OH 3.21Å; F84-Y88 HydrophobicContact CG-CE1 4.43Å; F84-Y88 PolarHBondContact O-OH 3.04Å; F84-L102 HydrophobicContact CD1-CD1 4.37Å; F84-L102 HydrophobicContact CD1-CD2 4.3Å; F84-L102 HydrophobicContact CD2-CD2 3.9Å; F84-L102 HydrophobicContact CE1-CD2 3.96Å; F84-L102 HydrophobicContact CE2-CD2 3.49Å; F84-L102 VanDerWaalsContact CE2-CD2 3.49Å; F84-L102 HydrophobicContact CG-CD1 4.49Å; F84-L102 HydrophobicContact CG-CD2 4.29Å; F84-L102 HydrophobicContact CZ-CD2 3.55Å; F84-F114 PolarHBondContact N-O 2.99Å; F84-L115 HydrophobicContact CB-CD2 3.98Å; F84-L115 HydrophobicContact CD2-CD2 3.88Å; F84-L115 HydrophobicContact CG-CD2 4.21Å; F84-L116 WeakPolarHBondContact O-CB 3.18Å; F84-L116 PolarHBondContact O-N 3.34Å
85L98.9Very high97.5Very high0 Ų033.2 Ų33.20%017%0.167CC..  trans-83.3-4.6-169.5-61.5179.4000114.8I56 C57 L83 L116 C167 H169 V241 A243I56-L85 HydrophobicContact CG2-CD1 3.77Å; I56-L85 HydrophobicContact CG2-CD2 3.76Å; I56-L85 HydrophobicContact CG2-CG 3.76Å; C57-L85 WeakPolarHBondContact O-CB 3.3Å; C57-L85 WeakPolarHBondContact O-CG 3.29Å; C57-L85 PolarHBondContact O-N 3.03Å; L83-L85 HydrophobicContact CD2-CD2 4.07Å; L83-L85 HydrophobicContact CG-CD2 4.12Å; L85-L116 HydrophobicContact CD2-CD1 3.8Å; L85-C167 HydrophobicContact CD2-CB 3.82Å; L85-H169 WeakPolarHBondContact O-CA 3.4Å; L85-H169 WeakPolarHBondContact O-CB 3.13Å; L85-H169 PolarHBondContact O-ND1 3.18Å; L85-V241 HydrophobicContact CD1-CG1 4.12Å; L85-A243 HydrophobicContact CB-CB 3.76Å; L85-A243 HydrophobicContact CD1-CB 3.95Å
86G98.7Very high97.5Very high0 Ų032.2 Ų32.20%016%0.157CC..SBendtrans125.1-172.8178.500000112.5F84 Y88F84-G86 PolarHBondContact O-N 2.7Å; G86-Y88 WeakPolarHBondContact O-CE1 3.33Å
87D98.8Very high97.5Very high2 Ų229.4 Ų29.41%0.01115%0.146CC..  trans5661.6176.5-79.513.5000112.3D59 I60 H61 G118 N119 H120 E121 H169D59-D87 HydrophobicContact CB-CB 4.23Å; D59-D87 WeakPolarHBondContact OD2-CB 3.4Å; I60-D87 PolarHBondContact N-O 2.77Å; H61-D87 IonicContact CE1-OD2 2.75Å; H61-D87 PolarHBondContact CE1-OD2 2.72Å; H61-D87 PolarHBondContact N-O 3.05Å; H61-D87 IonicContact NE2-OD2 3.69Å; D87-G118 WeakPolarHBondContact OD1-CA 3.38Å; D87-N119 PolarHBondContact OD1-N 3.37Å; D87-N119 VanDerWaalsContact OD1-N 3.11Å; D87-N119 PolarHBondContact OD1-OD1 2.77Å; D87-N119 PolarHBondContact OD2-OD1 3.38Å; D87-H120 VanDerWaalsContact CG-CD2 3.47Å; D87-H120 WeakPolarHBondContact OD1-CB 3.34Å; D87-H120 IonicContact OD1-CD2 2.83Å; D87-H120 PolarHBondContact OD1-CD2 3.32Å; D87-H120 IonicContact OD1-CG 3.1Å; D87-H120 PolarHBondContact OD1-N 3.34Å; D87-H120 IonicContact OD2-CD2 3.3Å; D87-H120 PolarHBondContact OD2-CD2 3.07Å; D87-H120 IonicContact OD2-CG 3.49Å; D87-H120 IonicContact OD2-NE2 3.69Å; D87-E121 PolarHBondContact N-OE2 3.3Å; D87-H169 IonicContact OD1-CE1 3.22Å; D87-H169 IonicContact OD1-NE2 3.42Å; D87-H169 PolarHBondContact OD1-NE2 3.45Å; D87-H169 IonicContact OD2-CE1 2.78Å; D87-H169 PolarHBondContact OD2-CE1 3.01Å; D87-H169 IonicContact OD2-NE2 3.53Å; D87-H169 PolarHBondContact OD2-NE2 3.44Å
88Y98.8Very high97.6Very high0 Ų029 Ų290%014%0.144CC..  trans-86.6-32.8-179.7-48.7-43.4000112.1G62 F84 G86 I99 L102 L115 L116 E121 L155G62-Y88 PolarHBondContact N-O 2.87Å; F84-Y88 HydrophobicContact CB-CE1 3.63Å; F84-Y88 WeakPolarHBondContact CB-OH 3.21Å; F84-Y88 HydrophobicContact CG-CE1 4.43Å; F84-Y88 PolarHBondContact O-OH 3.04Å; G86-Y88 WeakPolarHBondContact O-CE1 3.33Å; Y88-I99 HydrophobicContact CD2-CD1 3.45Å; Y88-I99 VanDerWaalsContact CD2-CD1 3.45Å; Y88-I99 HydrophobicContact CE2-CD1 4.24Å; Y88-I99 HydrophobicContact CG-CD1 3.96Å; Y88-L102 HydrophobicContact CD1-CD1 3.78Å; Y88-L102 HydrophobicContact CE1-CD1 4.14Å; Y88-L102 HydrophobicContact CG-CD1 4.08Å; Y88-L115 HydrophobicContact CE2-CB 4.43Å; Y88-L115 WeakPolarHBondContact OH-CA 3.44Å; Y88-L116 WeakPolarHBondContact CE2-O 3.39Å; Y88-L116 VanDerWaalsContact CZ-O 3.32Å; Y88-L116 PolarHBondContact OH-N 3.4Å; Y88-L116 PolarHBondContact OH-O 3.06Å; Y88-E121 HydrophobicContact CD2-CG 4.03Å; Y88-E121 PolarHBondContact N-OE1 3.38Å; Y88-L155 HydrophobicContact CE2-CD1 4.26Å
89V98.7Very high97.6Very high0 Ų026.1 Ų26.10%013%0.125CC..SBendtrans-107.1180-174.2-55.50000111.7H61 S95 I99 H120 E121 N126 F131 F152H61-V89 PolarHBondContact ND1-O 2.74Å; V89-S95 WeakPolarHBondContact CA-OG 3.37Å; V89-I99 HydrophobicContact CG1-CB 4.32Å; V89-I99 HydrophobicContact CG1-CG2 4.48Å; V89-H120 HydrophobicContact CG2-CB 4.29Å; V89-H120 WeakPolarHBondContact CG2-O 3.45Å; V89-E121 PolarHBondContact N-OE1 3.35Å; V89-N126 HydrophobicContact CG2-CB 4.2Å; V89-F131 HydrophobicContact CB-CB 4.11Å; V89-F131 HydrophobicContact CB-CD1 4.26Å; V89-F131 HydrophobicContact CB-CD2 3.86Å; V89-F131 HydrophobicContact CB-CE2 4.27Å; V89-F131 HydrophobicContact CB-CG 3.83Å; V89-F131 HydrophobicContact CG1-CD1 4.3Å; V89-F131 HydrophobicContact CG1-CD2 3.9Å; V89-F131 HydrophobicContact CG1-CE1 4.21Å; V89-F131 HydrophobicContact CG1-CE2 3.78Å; V89-F131 HydrophobicContact CG1-CG 4.15Å; V89-F131 HydrophobicContact CG1-CZ 3.93Å; V89-F131 HydrophobicContact CG2-CB 4.18Å; V89-F131 HydrophobicContact CG2-CD1 4.18Å; V89-F131 HydrophobicContact CG2-CG 4.1Å; V89-F152 HydrophobicContact CG1-CE2 4.34Å; V89-F152 HydrophobicContact CG1-CZ 3.85Å; V89-F152 HydrophobicContact CG2-CE2 4.49Å
90D98.2Very high97.7Very high0 Ų017.2 Ų17.20%09%0.086CC..SBendtrans65.2165.7-177.3-65.9-38.2000114.7H61 G92 S95 H120 N126 Y129 G130 F131H61-D90 CarbonylContact C-O 3.49Å; H61-D90 WeakPolarHBondContact CA-O 3.35Å; H61-D90 WeakPolarHBondContact CB-O 3.44Å; D90-G92 PolarHBondContact O-N 2.77Å; D90-S95 PolarHBondContact N-OG 2.96Å; D90-H120 VanDerWaalsContact CB-ND1 3.3Å; D90-H120 WeakPolarHBondContact CB-ND1 3.44Å; D90-H120 IonicContact OD2-CE1 2.7Å; D90-H120 IonicContact OD2-CG 2.71Å; D90-H120 IonicContact OD2-ND1 3.67Å; D90-H120 PolarHBondContact OD2-ND1 3.47Å; D90-N126 WeakPolarHBondContact OD2-CA 3.49Å; D90-N126 VanDerWaalsContact OD2-CB 3.26Å; D90-N126 WeakPolarHBondContact OD2-CB 3.36Å; D90-Y129 WeakPolarHBondContact CB-O 3.32Å; D90-Y129 VanDerWaalsContact CG-CB 3.47Å; D90-G130 PolarHBondContact OD1-N 3.06Å; D90-G130 VanDerWaalsContact OD1-N 3.16Å; D90-F131 WeakPolarHBondContact OD1-CB 3.45Å; D90-F131 PolarHBondContact OD1-N 3.37Å
91R95.8Very high97.8Very high107 Ų10713.9 Ų13.940%0.4047%0.071SC..SBendtrans65.1-50.6177-47-68.4-166.7107.5-0.5115.5H61 Y129 Y268H61-R91 HydrophobicContact CB-CB 4.18Å; R91-Y129 PolarHBondContact N-O 3.16Å; R91-Y129 VanDerWaalsContact N-O 3.07Å; R91-Y268 HydrophobicContact CB-CE2 4.33Å; R91-Y268 HydrophobicContact CG-CE2 4.41Å; R91-Y268 WeakPolarHBondContact CG-OH 3.36Å; R91-Y268 PolarHBondContact NH1-OH 3.15Å
92G93.9Very high97.8Very high17 Ų1711.2 Ų11.218%0.1756%0.061CC..SBendtrans-91.7162.5179.200000113.7H61 D90 Q94H61-G92 WeakPolarHBondContact O-CA 3.3Å; H61-G92 PolarHBondContact O-N 3.29Å; D90-G92 PolarHBondContact O-N 2.77Å; G92-Q94 PolarHBondContact O-N 2.84Å
93P92.6Very high97.8Very high92 Ų9211.2 Ų11.260%0.5976%0.061SC*.THydrogen-bonded Turntrans-78.3-16.6-166.530.2-35.8000114.2R138P93-R138 PolarHBondContact O-NH2 2.9Å
94Q95.7Very high97.8Very high15 Ų1511.2 Ų11.27%0.076%0.061CC..THydrogen-bonded Turntrans-125.444.6-168.5-65.1-171.7-91.600112.6G62 Y64 G92 I96 E97 C98G62-Q94 CarbonylContact O-C 3.55Å; G62-Q94 WeakPolarHBondContact O-CA 3.41Å; G62-Q94 WeakPolarHBondContact O-CB 3.25Å; G62-Q94 PolarHBondContact O-N 2.94Å; Y64-Q94 HydrophobicContact CG-CB 4.45Å; G92-Q94 PolarHBondContact O-N 2.84Å; Q94-I96 VanDerWaalsContact C-N 3.31Å; Q94-I96 PolarHBondContact O-N 2.86Å; Q94-E97 VanDerWaalsContact C-OE2 3.22Å; Q94-E97 WeakPolarHBondContact CA-OE2 3.32Å; Q94-E97 HydrophobicContact CB-CB 4.21Å; Q94-E97 HydrophobicContact CB-CG 4.32Å; Q94-E97 WeakPolarHBondContact CB-OE2 3.35Å; Q94-E97 PolarHBondContact NE2-OE1 2.92Å; Q94-E97 PolarHBondContact O-N 2.86Å; Q94-C98 PolarHBondContact O-N 3.5Å; Q94-C98 PolarHBondContact O-SG 3.09Å
95S97.4Very high97.8Very high1 Ų111.5 Ų11.51%0.0076%0.062CC..Hα-helixtrans-57.9-41.2179.7-70.20000112.8V89 D90 C98 I99V89-S95 WeakPolarHBondContact CA-OG 3.37Å; D90-S95 PolarHBondContact N-OG 2.96Å; S95-C98 PolarHBondContact O-N 3.04Å; S95-I99 VanDerWaalsContact O-CG2 3.32Å; S95-I99 WeakPolarHBondContact O-CG2 3.37Å; S95-I99 PolarHBondContact O-N 3.38Å
96I97.9Very high97.8Very high0 Ų011.5 Ų11.50%06%0.062CC..Hα-helixtrans-65.2-43-179.2-58.1178.5000110.5P24 L30 Q94 C100 F131 I135 Y139 F148P24-I96 HydrophobicContact CG-CB 4.35Å; P24-I96 HydrophobicContact CG-CG2 3.87Å; L30-I96 HydrophobicContact CD2-CG2 4.29Å; Q94-I96 VanDerWaalsContact C-N 3.31Å; Q94-I96 PolarHBondContact O-N 2.86Å; I96-C100 VanDerWaalsContact O-CB 3.22Å; I96-C100 WeakPolarHBondContact O-CB 3.21Å; I96-C100 PolarHBondContact O-N 3.29Å; I96-C100 PolarHBondContact O-SG 2.77Å; I96-F131 HydrophobicContact CG1-CE2 3.84Å; I96-I135 HydrophobicContact CD1-CG1 3.78Å; I96-I135 HydrophobicContact CG1-CG1 4.25Å; I96-Y139 HydrophobicContact CD1-CD2 4.09Å; I96-Y139 HydrophobicContact CD1-CE2 3.52Å; I96-F148 HydrophobicContact CG2-CZ 4.34Å
97E98Very high97.8Very high2 Ų212.4 Ų12.41%0.0097%0.066CC..Hα-helixtrans-63.7-45.5177.2-63.28615400111.7Q16 P24 Y64 Q94 L101 R138Q16-E97 HydrophobicContact CB-CG 4.25Å; Q16-E97 HydrophobicContact CG-CG 4.23Å; P24-E97 HydrophobicContact CB-CG 3.68Å; P24-E97 HydrophobicContact CG-CG 3.81Å; Y64-E97 HydrophobicContact CD1-CB 3.98Å; Y64-E97 HydrophobicContact CD2-CB 3.56Å; Y64-E97 HydrophobicContact CE1-CB 4.26Å; Y64-E97 HydrophobicContact CE2-CB 3.85Å; Y64-E97 WeakPolarHBondContact CE2-O 3.21Å; Y64-E97 HydrophobicContact CG-CB 3.63Å; Q94-E97 VanDerWaalsContact C-OE2 3.22Å; Q94-E97 WeakPolarHBondContact CA-OE2 3.32Å; Q94-E97 HydrophobicContact CB-CB 4.21Å; Q94-E97 HydrophobicContact CB-CG 4.32Å; Q94-E97 WeakPolarHBondContact CB-OE2 3.35Å; Q94-E97 PolarHBondContact NE2-OE1 2.92Å; Q94-E97 PolarHBondContact O-N 2.86Å; E97-L101 WeakPolarHBondContact O-CB 3.29Å; E97-L101 PolarHBondContact O-N 2.85Å; E97-L101 VanDerWaalsContact O-N 3.1Å; E97-R138 IonicContact OE1-CZ 3.38Å; E97-R138 IonicContact OE1-NH1 3.53Å; E97-R138 PolarHBondContact OE1-NH1 3.32Å; E97-R138 IonicContact OE1-NH2 3.38Å; E97-R138 PolarHBondContact OE1-NH2 3.26Å; E97-R138 IonicContact OE2-CZ 3.99Å; E97-R138 IonicContact OE2-NH1 3.35Å; E97-R138 IonicContact OE2-NH2 3.2Å; E97-R138 PolarHBondContact OE2-NH2 3.46Å
98C98.4Very high97.7Very high0 Ų016.5 Ų16.50%08%0.081CC..Hα-helixtrans-55.7-57.9175.8-74.20000111.1I60 Y64 L67 Q94 S95 C100 L101 L102I60-C98 HydrophobicContact CG2-CB 4.34Å; Y64-C98 WeakPolarHBondContact CA-SG 3.45Å; Y64-C98 PolarHBondContact N-SG 2.84Å; L67-C98 HydrophobicContact CD2-CB 4.22Å; Q94-C98 PolarHBondContact O-N 3.5Å; Q94-C98 PolarHBondContact O-SG 3.09Å; S95-C98 PolarHBondContact O-N 3.04Å; C98-C100 PolarHBondContact O-N 2.91Å; C98-L101 PolarHBondContact O-N 2.96Å; C98-L102 WeakPolarHBondContact O-CG 3.41Å; C98-L102 PolarHBondContact O-N 2.75Å; C98-L102 VanDerWaalsContact O-N 3.12Å
99I98.7Very high97.7Very high0 Ų018.5 Ų18.50%09%0.089CC..Hα-helixtrans-69.5-39.1-171.7-168.162.4000112.4Y88 V89 S95 L101 L102 F103 F148 F152Y88-I99 HydrophobicContact CD2-CD1 3.45Å; Y88-I99 VanDerWaalsContact CD2-CD1 3.45Å; Y88-I99 HydrophobicContact CE2-CD1 4.24Å; Y88-I99 HydrophobicContact CG-CD1 3.96Å; V89-I99 HydrophobicContact CG1-CB 4.32Å; V89-I99 HydrophobicContact CG1-CG2 4.48Å; S95-I99 VanDerWaalsContact O-CG2 3.32Å; S95-I99 WeakPolarHBondContact O-CG2 3.37Å; S95-I99 PolarHBondContact O-N 3.38Å; I99-L101 VanDerWaalsContact C-N 3.31Å; I99-L101 PolarHBondContact O-N 2.83Å; I99-L102 PolarHBondContact O-N 2.97Å; I99-F103 HydrophobicContact CD1-CD1 3.96Å; I99-F103 HydrophobicContact CD1-CE1 3.48Å; I99-F103 VanDerWaalsContact CD1-CE1 3.48Å; I99-F103 HydrophobicContact CD1-CE2 4.25Å; I99-F103 HydrophobicContact CD1-CZ 3.66Å; I99-F103 HydrophobicContact CG1-CD1 4.2Å; I99-F103 HydrophobicContact CG1-CD2 4.03Å; I99-F103 HydrophobicContact CG1-CE1 3.84Å; I99-F103 HydrophobicContact CG1-CE2 3.64Å; I99-F103 HydrophobicContact CG1-CG 4.32Å; I99-F103 HydrophobicContact CG1-CZ 3.55Å; I99-F103 WeakPolarHBondContact O-CB 3.04Å; I99-F103 VanDerWaalsContact O-CG 3.26Å; I99-F103 WeakPolarHBondContact O-CG 3.35Å; I99-F103 PolarHBondContact O-N 2.68Å; I99-F148 HydrophobicContact CG2-CD1 4.16Å; I99-F148 HydrophobicContact CG2-CE1 3.57Å; I99-F148 HydrophobicContact CG2-CZ 4.18Å; I99-F152 HydrophobicContact CD1-CE1 3.71Å; I99-F152 HydrophobicContact CD1-CZ 4.35Å; I99-F152 HydrophobicContact CG1-CE1 3.58Å; I99-F152 HydrophobicContact CG1-CZ 3.91Å
100C98.7Very high97.7Very high0 Ų020.2 Ų20.20%010%0.1CC..Hα-helixtrans-63.6-37.7176.6-72.90000111.9L13 L30 I33 I96 C98 F103 L104L13-C100 HydrophobicContact CD1-CB 3.75Å; L13-C100 HydrophobicContact CD2-CB 4.34Å; L30-C100 WeakPolarHBondContact CD2-SG 3.43Å; I33-C100 HydrophobicContact CD1-CB 4.34Å; I96-C100 VanDerWaalsContact O-CB 3.22Å; I96-C100 WeakPolarHBondContact O-CB 3.21Å; I96-C100 PolarHBondContact O-N 3.29Å; I96-C100 PolarHBondContact O-SG 2.77Å; C98-C100 PolarHBondContact O-N 2.91Å; C100-F103 PolarHBondContact O-N 2.98Å; C100-L104 WeakPolarHBondContact O-CB 3.33Å; C100-L104 VanDerWaalsContact O-CG 3.31Å; C100-L104 WeakPolarHBondContact O-CG 3.29Å; C100-L104 PolarHBondContact O-N 2.98Å
101L98.7Very high97.6Very high0 Ų026.6 Ų26.60%013%0.13CC..Hα-helixtrans-66.2-45.8178.4-176.865.1000110.9K10 L13 L14 Y64 L67 V68 F71 E97 C98 I99 L104 Y105K10-L101 HydrophobicContact CG-CD1 4.25Å; L13-L101 HydrophobicContact CB-CD1 4.32Å; L13-L101 HydrophobicContact CD1-CB 3.88Å; L13-L101 HydrophobicContact CD1-CD1 4.25Å; L14-L101 HydrophobicContact CD2-CD1 4.26Å; L14-L101 HydrophobicContact CD2-CD2 4.21Å; Y64-L101 HydrophobicContact CE2-CB 4.06Å; Y64-L101 HydrophobicContact CE2-CD2 3.68Å; Y64-L101 HydrophobicContact CE2-CG 4.47Å; L67-L101 HydrophobicContact CD2-CD2 4.32Å; V68-L101 HydrophobicContact CG2-CD2 4.3Å; F71-L101 HydrophobicContact CD2-CD2 4.34Å; F71-L101 HydrophobicContact CE2-CD2 3.94Å; E97-L101 WeakPolarHBondContact O-CB 3.29Å; E97-L101 PolarHBondContact O-N 2.85Å; E97-L101 VanDerWaalsContact O-N 3.1Å; C98-L101 PolarHBondContact O-N 2.96Å; I99-L101 VanDerWaalsContact C-N 3.31Å; I99-L101 PolarHBondContact O-N 2.83Å; L101-L104 PolarHBondContact O-N 2.83Å; L101-Y105 HydrophobicContact CD1-CD2 4.09Å; L101-Y105 HydrophobicContact CD1-CE2 3.54Å; L101-Y105 HydrophobicContact CD2-CE2 4.2Å; L101-Y105 HydrophobicContact CG-CD2 3.98Å; L101-Y105 HydrophobicContact CG-CE2 3.7Å; L101-Y105 VanDerWaalsContact O-CD2 3.31Å; L101-Y105 WeakPolarHBondContact O-CD2 3.31Å; L101-Y105 PolarHBondContact O-N 2.76Å
102L98.9Very high97.7Very high0 Ų022.5 Ų22.50%012%0.118CC..Hα-helixtrans-61.7-43.8176.8-68178.8000111.7L67 F71 F84 Y88 C98 I99 L104 Y105 K106 L115L67-L102 HydrophobicContact CD1-CD2 4.27Å; L67-L102 HydrophobicContact CD2-CD2 4.32Å; L67-L102 HydrophobicContact CD2-CG 4.21Å; F71-L102 HydrophobicContact CZ-CD2 4.09Å; F84-L102 HydrophobicContact CD1-CD1 4.37Å; F84-L102 HydrophobicContact CD1-CD2 4.3Å; F84-L102 HydrophobicContact CD2-CD2 3.9Å; F84-L102 HydrophobicContact CE1-CD2 3.96Å; F84-L102 HydrophobicContact CE2-CD2 3.49Å; F84-L102 VanDerWaalsContact CE2-CD2 3.49Å; F84-L102 HydrophobicContact CG-CD1 4.49Å; F84-L102 HydrophobicContact CG-CD2 4.29Å; F84-L102 HydrophobicContact CZ-CD2 3.55Å; Y88-L102 HydrophobicContact CD1-CD1 3.78Å; Y88-L102 HydrophobicContact CE1-CD1 4.14Å; Y88-L102 HydrophobicContact CG-CD1 4.08Å; C98-L102 WeakPolarHBondContact O-CG 3.41Å; C98-L102 PolarHBondContact O-N 2.75Å; C98-L102 VanDerWaalsContact O-N 3.12Å; I99-L102 PolarHBondContact O-N 2.97Å; L102-L104 PolarHBondContact O-N 2.91Å; L102-Y105 PolarHBondContact O-N 2.94Å; L102-K106 WeakPolarHBondContact O-CB 3.24Å; L102-K106 PolarHBondContact O-N 2.74Å; L102-L115 HydrophobicContact CB-CD1 4.19Å; L102-L115 HydrophobicContact CB-CD2 4.03Å; L102-L115 HydrophobicContact CD1-CD2 4.35Å; L102-L115 HydrophobicContact CD2-CD2 4.41Å; L102-L115 HydrophobicContact CG-CD2 4.5Å
103F98.9Very high97.9Very high0 Ų021.8 Ų21.80%011%0.11CC..Hα-helixtrans-61.5-43.3175.2-73.7-8.9000112.6I33 V37 I99 C100 Y105 K106 I107 L115 F148 T151 F152I33-F103 HydrophobicContact CG2-CB 3.64Å; I33-F103 HydrophobicContact CG2-CD2 4.08Å; I33-F103 HydrophobicContact CG2-CG 4.4Å; V37-F103 HydrophobicContact CB-CB 4.16Å; V37-F103 HydrophobicContact CB-CG 4.23Å; V37-F103 HydrophobicContact CG1-CB 4.16Å; V37-F103 HydrophobicContact CG1-CD1 4.1Å; V37-F103 HydrophobicContact CG1-CD2 3.75Å; V37-F103 HydrophobicContact CG1-CE1 4.36Å; V37-F103 HydrophobicContact CG1-CE2 4.04Å; V37-F103 HydrophobicContact CG1-CG 3.76Å; V37-F103 HydrophobicContact CG1-CZ 4.32Å; V37-F103 HydrophobicContact CG2-CB 4.1Å; V37-F103 HydrophobicContact CG2-CD1 3.94Å; V37-F103 HydrophobicContact CG2-CG 4.09Å; I99-F103 HydrophobicContact CD1-CD1 3.96Å; I99-F103 HydrophobicContact CD1-CE1 3.48Å; I99-F103 VanDerWaalsContact CD1-CE1 3.48Å; I99-F103 HydrophobicContact CD1-CE2 4.25Å; I99-F103 HydrophobicContact CD1-CZ 3.66Å; I99-F103 HydrophobicContact CG1-CD1 4.2Å; I99-F103 HydrophobicContact CG1-CD2 4.03Å; I99-F103 HydrophobicContact CG1-CE1 3.84Å; I99-F103 HydrophobicContact CG1-CE2 3.64Å; I99-F103 HydrophobicContact CG1-CG 4.32Å; I99-F103 HydrophobicContact CG1-CZ 3.55Å; I99-F103 WeakPolarHBondContact O-CB 3.04Å; I99-F103 VanDerWaalsContact O-CG 3.26Å; I99-F103 WeakPolarHBondContact O-CG 3.35Å; I99-F103 PolarHBondContact O-N 2.68Å; C100-F103 PolarHBondContact O-N 2.98Å; F103-Y105 PolarHBondContact O-N 3.06Å; F103-K106 WeakPolarHBondContact O-CB 3.18Å; F103-K106 PolarHBondContact O-N 3.37Å; F103-I107 WeakPolarHBondContact O-CB 3.34Å; F103-I107 WeakPolarHBondContact O-CD1 3.45Å; F103-I107 WeakPolarHBondContact O-CG1 3.49Å; F103-I107 PolarHBondContact O-N 2.91Å; F103-L115 HydrophobicContact CD1-CD1 3.74Å; F103-L115 HydrophobicContact CE1-CD1 4.07Å; F103-F148 HydrophobicContact CE2-CD1 4.2Å; F103-F148 HydrophobicContact CE2-CE1 4.28Å; F103-T151 HydrophobicContact CE1-CG2 4.48Å; F103-T151 HydrophobicContact CE2-CG2 3.69Å; F103-T151 HydrophobicContact CZ-CG2 3.64Å; F103-F152 HydrophobicContact CE2-CE1 4.33Å; F103-F152 AromaticContact CZ-CD1 3.95Å; F103-F152 HydrophobicContact CZ-CD1 3.95Å; F103-F152 AromaticContact CZ-CE1 3.68Å; F103-F152 HydrophobicContact CZ-CE1 3.68Å
104L98.8Very high98.2Very high0 Ų017.5 Ų17.50%08%0.082CC..Hα-helixtrans-60.2-46.4175.1-76171.7000111.2M1 W6 L9 K10 L13 M25 I33 C100 L101 L102 K106 I107 R108M1-L104 HydrophobicContact CE-CD2 3.92Å; M1-L104 HydrophobicContact SD-CD2 3.8Å; W6-L104 VanDerWaalsContact NE1-C 3.3Å; W6-L104 PolarHBondContact NE1-O 2.86Å; L9-L104 HydrophobicContact CB-CD1 3.76Å; L9-L104 HydrophobicContact CB-CD2 4.05Å; L9-L104 HydrophobicContact CD1-CD2 4.12Å; K10-L104 HydrophobicContact CB-CD1 4.4Å; L13-L104 HydrophobicContact CD1-CD1 3.64Å; M25-L104 HydrophobicContact CE-CD1 4.27Å; I33-L104 HydrophobicContact CD1-CD1 4.41Å; I33-L104 HydrophobicContact CD1-CD2 4.32Å; I33-L104 HydrophobicContact CD1-CG 4.31Å; I33-L104 HydrophobicContact CG1-CD2 3.97Å; I33-L104 HydrophobicContact CG1-CG 4.36Å; C100-L104 WeakPolarHBondContact O-CB 3.33Å; C100-L104 VanDerWaalsContact O-CG 3.31Å; C100-L104 WeakPolarHBondContact O-CG 3.29Å; C100-L104 PolarHBondContact O-N 2.98Å; L101-L104 PolarHBondContact O-N 2.83Å; L102-L104 PolarHBondContact O-N 2.91Å; L104-K106 VanDerWaalsContact C-N 3.32Å; L104-K106 PolarHBondContact O-N 3.35Å; L104-I107 PolarHBondContact O-N 3.05Å; L104-R108 PolarHBondContact O-N 3.48Å; L104-R108 VanDerWaalsContact O-N 3.08Å
105Y98.8Very high98.4Very high5 Ų516.8 Ų16.82%0.028%0.079CC..Hα-helixtrans-63.8-38.1176.6-76-59.1000112.7W6 K10 F71 Y76 P77 L101 L102 F103 R108 Y109W6-Y105 HydrophobicContact CH2-CD1 4.41Å; W6-Y105 HydrophobicContact CH2-CE1 4.16Å; W6-Y105 AromaticContact CZ2-CD1 3.85Å; W6-Y105 HydrophobicContact CZ2-CD1 3.85Å; W6-Y105 AromaticContact CZ2-CE1 3.97Å; W6-Y105 HydrophobicContact CZ2-CE1 3.97Å; K10-Y105 HydrophobicContact CD-CE1 4.25Å; F71-Y105 HydrophobicContact CE2-CD2 4.46Å; F71-Y105 HydrophobicContact CE2-CE2 4.16Å; F71-Y105 HydrophobicContact CZ-CD2 4.49Å; Y76-Y105 HydrophobicContact CD1-CE2 4.48Å; Y76-Y105 AromaticContact CD1-CZ 3.96Å; Y76-Y105 WeakPolarHBondContact CD1-OH 3.36Å; P77-Y105 HydrophobicContact CB-CD1 3.75Å; P77-Y105 HydrophobicContact CB-CE1 4.23Å; P77-Y105 HydrophobicContact CB-CG 4.21Å; P77-Y105 HydrophobicContact CG-CD1 3.83Å; P77-Y105 HydrophobicContact CG-CD2 4.29Å; P77-Y105 HydrophobicContact CG-CE1 4.24Å; P77-Y105 HydrophobicContact CG-CG 3.89Å; L101-Y105 HydrophobicContact CD1-CD2 4.09Å; L101-Y105 HydrophobicContact CD1-CE2 3.54Å; L101-Y105 HydrophobicContact CD2-CE2 4.2Å; L101-Y105 HydrophobicContact CG-CD2 3.98Å; L101-Y105 HydrophobicContact CG-CE2 3.7Å; L101-Y105 VanDerWaalsContact O-CD2 3.31Å; L101-Y105 WeakPolarHBondContact O-CD2 3.31Å; L101-Y105 PolarHBondContact O-N 2.76Å; L102-Y105 PolarHBondContact O-N 2.94Å; F103-Y105 PolarHBondContact O-N 3.06Å; Y105-R108 PolarHBondContact O-N 3.48Å; Y105-Y109 HydrophobicContact CD1-CD2 4.02Å; Y105-Y109 HydrophobicContact CD1-CE2 4.04Å; Y105-Y109 HydrophobicContact CE1-CE2 4.43Å; Y105-Y109 PolarHBondContact O-N 3.07Å
106K98.8Very high98.4Very high1 Ų116.7 Ų16.70%0.0048%0.079CC..Hα-helixtrans-59.5-46.3173177.461.9-177.7178.50112.2V37 L102 F103 L104 R108 Y109 P110 V113 L115V37-K106 HydrophobicContact CG2-CB 4.02Å; V37-K106 HydrophobicContact CG2-CG 3.73Å; L102-K106 WeakPolarHBondContact O-CB 3.24Å; L102-K106 PolarHBondContact O-N 2.74Å; F103-K106 WeakPolarHBondContact O-CB 3.18Å; F103-K106 PolarHBondContact O-N 3.37Å; L104-K106 VanDerWaalsContact C-N 3.32Å; L104-K106 PolarHBondContact O-N 3.35Å; K106-R108 VanDerWaalsContact C-N 3.34Å; K106-R108 PolarHBondContact O-N 2.84Å; K106-Y109 CarbonylContact O-C 3.55Å; K106-P110 PolarHBondContact NZ-O 3.49Å; K106-P110 WeakPolarHBondContact O-CA 3.45Å; K106-P110 VanDerWaalsContact O-N 3.17Å; K106-V113 HydrophobicContact CB-CG1 4.5Å; K106-V113 WeakPolarHBondContact CD-O 3.13Å; K106-V113 PolarHBondContact NZ-O 3.1Å; K106-L115 HydrophobicContact CB-CD1 4.02Å; K106-L115 HydrophobicContact CG-CD1 4.41Å
107I98.6Very high98.5Very high18 Ų1816.9 Ų16.99%0.0928%0.079CC..Hα-helixtrans-58.9-45.2178.6-71.8162.1000111M1 I33 T36 V37 F103 L104M1-I107 HydrophobicContact CB-CG2 3.89Å; M1-I107 HydrophobicContact CE-CD1 3.98Å; M1-I107 HydrophobicContact SD-CG2 4.39Å; I33-I107 HydrophobicContact CG2-CD1 4.36Å; T36-I107 HydrophobicContact CG2-CB 4.43Å; T36-I107 HydrophobicContact CG2-CD1 3.99Å; T36-I107 HydrophobicContact CG2-CG1 3.91Å; T36-I107 HydrophobicContact CG2-CG2 3.64Å; V37-I107 HydrophobicContact CB-CD1 3.94Å; V37-I107 HydrophobicContact CB-CG1 3.75Å; V37-I107 HydrophobicContact CG2-CG1 4.17Å; F103-I107 WeakPolarHBondContact O-CB 3.34Å; F103-I107 WeakPolarHBondContact O-CD1 3.45Å; F103-I107 WeakPolarHBondContact O-CG1 3.49Å; F103-I107 PolarHBondContact O-N 2.91Å; L104-I107 PolarHBondContact O-N 3.05Å
108R98.3Very high98.5Very high88 Ų8816.8 Ų16.833%0.3328%0.079SC..Hα-helixtrans-84.1-30-172.9-178.562.5-174.882.8-5.1113.8W6 L104 Y105 K106W6-R108 HydrophobicContact CD2-CB 3.87Å; W6-R108 HydrophobicContact CD2-CG 3.83Å; W6-R108 HydrophobicContact CE3-CG 4.12Å; W6-R108 HydrophobicContact CG-CB 4.12Å; W6-R108 HydrophobicContact CG-CG 4.37Å; W6-R108 HydrophobicContact CH2-CB 4.44Å; W6-R108 HydrophobicContact CH2-CG 4.04Å; W6-R108 HydrophobicContact CZ2-CB 3.67Å; W6-R108 HydrophobicContact CZ2-CG 3.78Å; W6-R108 HydrophobicContact CZ3-CG 4.23Å; W6-R108 VanDerWaalsContact NE1-CB 3.29Å; L104-R108 PolarHBondContact O-N 3.48Å; L104-R108 VanDerWaalsContact O-N 3.08Å; Y105-R108 PolarHBondContact O-N 3.48Å; K106-R108 VanDerWaalsContact C-N 3.34Å; K106-R108 PolarHBondContact O-N 2.84Å
109Y98.1Very high98.4Very high42 Ų4216.8 Ų16.817%0.1658%0.079CC..  trans-13463.9-176.1-48.2-66.8000110.9W6 P77 P78 Y105 K106 Q111 S112 V113W6-Y109 AromaticContact CH2-CE2 3.7Å; W6-Y109 HydrophobicContact CH2-CE2 3.7Å; W6-Y109 AromaticContact CZ2-CE2 3.82Å; W6-Y109 HydrophobicContact CZ2-CE2 3.82Å; P77-Y109 HydrophobicContact CB-CD2 3.93Å; P77-Y109 HydrophobicContact CB-CE2 4.47Å; P78-Y109 HydrophobicContact CB-CD1 3.61Å; P78-Y109 HydrophobicContact CB-CD2 4.4Å; P78-Y109 HydrophobicContact CB-CE1 3.88Å; P78-Y109 HydrophobicContact CB-CG 3.89Å; P78-Y109 VanDerWaalsContact CD-CZ 3.47Å; P78-Y109 HydrophobicContact CG-CD1 3.81Å; P78-Y109 HydrophobicContact CG-CE1 3.51Å; P78-Y109 HydrophobicContact CG-CE2 4.47Å; P78-Y109 HydrophobicContact CG-CG 4.4Å; Y105-Y109 HydrophobicContact CD1-CD2 4.02Å; Y105-Y109 HydrophobicContact CD1-CE2 4.04Å; Y105-Y109 HydrophobicContact CE1-CE2 4.43Å; Y105-Y109 PolarHBondContact O-N 3.07Å; K106-Y109 CarbonylContact O-C 3.55Å; Y109-Q111 PolarHBondContact O-N 3.18Å; Y109-S112 PolarHBondContact O-N 2.82Å; Y109-V113 PolarHBondContact O-N 3.34Å
110P97.6Very high98.4Very high36 Ų3617.1 Ų17.123%0.2348%0.081CC..THydrogen-bonded Turntrans-63-19.1-171.524.1-34.9000114.7K106K106-P110 PolarHBondContact NZ-O 3.49Å; K106-P110 WeakPolarHBondContact O-CA 3.45Å; K106-P110 VanDerWaalsContact O-N 3.17Å
111Q96.8Very high98.4Very high134 Ų13417.1 Ų17.163%0.6268%0.081SC*.THydrogen-bonded Turntrans-97.6-4.6176.8-58.9-58.9-33.400113.6R81 Y109 F114R81-Q111 PolarHBondContact NE-O 3.37Å; Y109-Q111 PolarHBondContact O-N 3.18Å; Q111-F114 WeakPolarHBondContact O-CE2 3.36Å; Q111-F114 VanDerWaalsContact O-CZ 3.26Å; Q111-F114 WeakPolarHBondContact O-CZ 3.29Å
112S97.9Very high98.3Very high22 Ų2217.3 Ų17.315%0.1548%0.081CC..THydrogen-bonded Turntrans-113.3-18.6178.4-49.10000112.8R81 Y82 Y109R81-S112 CarbonylContact C-O 3.5Å; R81-S112 WeakPolarHBondContact CA-O 3.41Å; Y82-S112 PolarHBondContact N-O 3.31Å; Y109-S112 PolarHBondContact O-N 2.82Å
113V98.7Very high98.2Very high1 Ų120.1 Ų20.11%0.00610%0.096CC..EExtended strand (participates in β ladder)trans-125.5120.9175.5179.10000109.6P77 Y82 K106 Y109 L115P77-V113 HydrophobicContact CB-CG2 3.75Å; P77-V113 HydrophobicContact CG-CG2 3.59Å; Y82-V113 WeakPolarHBondContact O-CA 3.43Å; K106-V113 HydrophobicContact CB-CG1 4.5Å; K106-V113 WeakPolarHBondContact CD-O 3.13Å; K106-V113 PolarHBondContact NZ-O 3.1Å; Y109-V113 PolarHBondContact O-N 3.34Å; V113-L115 HydrophobicContact CG1-CD2 3.87Å; V113-L115 HydrophobicContact CG1-CG 4.28Å
114F98.8Very high98.1Very high2 Ų223.9 Ų23.91%0.00912%0.116CC..EExtended strand (participates in β ladder)trans-116.5132.3177.2-54.3-76.5000108.4I48 F50 Y82 L83 F84 Q111I48-F114 HydrophobicContact CD1-CB 4.14Å; I48-F114 HydrophobicContact CD1-CD1 4.26Å; I48-F114 HydrophobicContact CG2-CD1 3.73Å; I48-F114 HydrophobicContact CG2-CE1 3.98Å; F50-F114 HydrophobicContact CB-CZ 4.16Å; F50-F114 HydrophobicContact CD1-CD1 4.22Å; F50-F114 HydrophobicContact CD1-CD2 4.07Å; F50-F114 AromaticContact CD1-CE1 4Å; F50-F114 HydrophobicContact CD1-CE1 4Å; F50-F114 AromaticContact CD1-CE2 3.86Å; F50-F114 HydrophobicContact CD1-CE2 3.86Å; F50-F114 HydrophobicContact CD1-CG 4.24Å; F50-F114 AromaticContact CD1-CZ 3.8Å; F50-F114 HydrophobicContact CD1-CZ 3.8Å; F50-F114 HydrophobicContact CD2-CD2 4.32Å; F50-F114 AromaticContact CD2-CE2 3.71Å; F50-F114 HydrophobicContact CD2-CE2 3.71Å; F50-F114 HydrophobicContact CD2-CZ 4.12Å; F50-F114 HydrophobicContact CE1-CB 4.33Å; F50-F114 HydrophobicContact CE1-CD1 4.14Å; F50-F114 AromaticContact CE1-CD2 3.59Å; F50-F114 HydrophobicContact CE1-CD2 3.59Å; F50-F114 HydrophobicContact CE1-CE1 4.34Å; F50-F114 AromaticContact CE1-CE2 3.83Å; F50-F114 HydrophobicContact CE1-CE2 3.83Å; F50-F114 AromaticContact CE1-CG 3.75Å; F50-F114 HydrophobicContact CE1-CG 3.75Å; F50-F114 HydrophobicContact CE1-CZ 4.19Å; F50-F114 AromaticContact CE2-CD2 3.87Å; F50-F114 HydrophobicContact CE2-CD2 3.87Å; F50-F114 AromaticContact CE2-CE2 3.68Å; F50-F114 HydrophobicContact CE2-CE2 3.68Å; F50-F114 HydrophobicContact CE2-CZ 4.48Å; F50-F114 HydrophobicContact CG-CD2 4.41Å; F50-F114 HydrophobicContact CG-CE1 4.37Å; F50-F114 AromaticContact CG-CE2 3.79Å; F50-F114 HydrophobicContact CG-CE2 3.79Å; F50-F114 AromaticContact CG-CZ 3.76Å; F50-F114 HydrophobicContact CG-CZ 3.76Å; F50-F114 AromaticContact CZ-CD2 3.47Å; F50-F114 HydrophobicContact CZ-CD2 3.47Å; F50-F114 VanDerWaalsContact CZ-CD2 3.47Å; F50-F114 AromaticContact CZ-CE2 3.74Å; F50-F114 HydrophobicContact CZ-CE2 3.74Å; F50-F114 HydrophobicContact CZ-CG 4.06Å; Y82-F114 WeakPolarHBondContact O-CD2 3.47Å; Y82-F114 PolarHBondContact O-N 3.32Å; L83-F114 WeakPolarHBondContact CA-O 3.43Å; L83-F114 HydrophobicContact CD1-CB 3.62Å; F84-F114 PolarHBondContact N-O 2.99Å; Q111-F114 WeakPolarHBondContact O-CE2 3.36Å; Q111-F114 VanDerWaalsContact O-CZ 3.26Å; Q111-F114 WeakPolarHBondContact O-CZ 3.29Å
115L98.9Very high98Very high0 Ų024.8 Ų24.80%012%0.121CC..EExtended strand (participates in β ladder)trans-123117.5-177.4-55.6178.9000107.2F84 Y88 L102 F103 K106 V113 L155 P156F84-L115 HydrophobicContact CB-CD2 3.98Å; F84-L115 HydrophobicContact CD2-CD2 3.88Å; F84-L115 HydrophobicContact CG-CD2 4.21Å; Y88-L115 HydrophobicContact CE2-CB 4.43Å; Y88-L115 WeakPolarHBondContact OH-CA 3.44Å; L102-L115 HydrophobicContact CB-CD1 4.19Å; L102-L115 HydrophobicContact CB-CD2 4.03Å; L102-L115 HydrophobicContact CD1-CD2 4.35Å; L102-L115 HydrophobicContact CD2-CD2 4.41Å; L102-L115 HydrophobicContact CG-CD2 4.5Å; F103-L115 HydrophobicContact CD1-CD1 3.74Å; F103-L115 HydrophobicContact CE1-CD1 4.07Å; K106-L115 HydrophobicContact CB-CD1 4.02Å; K106-L115 HydrophobicContact CG-CD1 4.41Å; V113-L115 HydrophobicContact CG1-CD2 3.87Å; V113-L115 HydrophobicContact CG1-CG 4.28Å; L115-L155 HydrophobicContact CB-CD2 3.77Å; L115-P156 WeakPolarHBondContact O-CD 3.25Å
116L98.9Very high97.9Very high0 Ų024.5 Ų24.50%012%0.12CC..  trans-92165.8169.7-55.9-174.1000110.2I48 L83 F84 L85 Y88 P156 A158 A159 C167I48-L116 HydrophobicContact CD1-CD2 3.82Å; I48-L116 HydrophobicContact CG1-CD2 4.41Å; L83-L116 HydrophobicContact CD1-CD1 4.08Å; L83-L116 HydrophobicContact CD1-CD2 4.16Å; L83-L116 HydrophobicContact CD1-CG 3.8Å; F84-L116 WeakPolarHBondContact O-CB 3.18Å; F84-L116 PolarHBondContact O-N 3.34Å; L85-L116 HydrophobicContact CD2-CD1 3.8Å; Y88-L116 WeakPolarHBondContact CE2-O 3.39Å; Y88-L116 VanDerWaalsContact CZ-O 3.32Å; Y88-L116 PolarHBondContact OH-N 3.4Å; Y88-L116 PolarHBondContact OH-O 3.06Å; L116-P156 CarbonylContact C-O 3.57Å; L116-P156 VanDerWaalsContact CA-O 3.29Å; L116-P156 WeakPolarHBondContact CA-O 3.23Å; L116-P156 HydrophobicContact CD2-CB 4.1Å; L116-A158 VanDerWaalsContact CD2-C 3.49Å; L116-A158 WeakPolarHBondContact CD2-O 3.36Å; L116-A159 HydrophobicContact CD1-CB 4.32Å; L116-A159 HydrophobicContact CD2-CB 4.21Å; L116-C167 HydrophobicContact CD1-CB 4.48Å
117R98.6Very high97.9Very high3 Ų329.8 Ų29.81%0.01115%0.145CC..  trans-90.7130.3176.9-157.3174.1-177.6-178.9-3.3110.3E121 F122 F152 L155 P156 L157 H169 M189 L201R117-E121 HydrophobicContact CG-CB 3.67Å; R117-E121 VanDerWaalsContact CZ-O 3.28Å; R117-E121 PolarHBondContact NE-O 2.95Å; R117-E121 PolarHBondContact NH2-O 3.2Å; R117-F122 HydrophobicContact CG-CE2 4.12Å; R117-F122 VanDerWaalsContact CZ-CZ 3.46Å; R117-F122 VanDerWaalsContact NE-CE2 3.32Å; R117-F152 PolarHBondContact NE-O 3.38Å; R117-L155 HydrophobicContact CB-CB 3.62Å; R117-L155 HydrophobicContact CB-CD1 4.37Å; R117-L155 HydrophobicContact CG-CB 3.89Å; R117-L155 HydrophobicContact CG-CD1 4.09Å; R117-P156 PolarHBondContact N-O 2.99Å; R117-L157 HydrophobicContact CB-CD2 4.05Å; R117-H169 WeakPolarHBondContact O-CB 3.3Å; R117-M189 PolarHBondContact NH1-O 2.85Å; R117-M189 PolarHBondContact NH2-O 3.29Å; R117-L201 HydrophobicContact CB-CD2 4.49Å; R117-L201 WeakPolarHBondContact O-CD2 3.2Å
118G98.5Very high97.8Very high0 Ų034.1 Ų34.10%017%0.171CC..  trans-93.3174.4163.400000111.7D87 H120 E121 H169D87-G118 WeakPolarHBondContact OD1-CA 3.38Å; G118-H120 PolarHBondContact O-N 3.45Å; G118-E121 VanDerWaalsContact CA-OE2 3.3Å; G118-E121 WeakPolarHBondContact CA-OE2 3.41Å; G118-E121 PolarHBondContact N-OE2 3.23Å; G118-E121 PolarHBondContact O-N 3.38Å; G118-H169 VanDerWaalsContact CA-CG 3.48Å
119N97.6Very high97.7Very high1 Ų134.7 Ų34.71%0.00517%0.174CC..G310 helixtrans-70.2-23.8177.461.9-75.4000111.9D87 E121 F122 I125 H169 L201 W202 H244D87-N119 PolarHBondContact OD1-N 3.37Å; D87-N119 VanDerWaalsContact OD1-N 3.11Å; D87-N119 PolarHBondContact OD1-OD1 2.77Å; D87-N119 PolarHBondContact OD2-OD1 3.38Å; N119-E121 PolarHBondContact O-N 3.41Å; N119-F122 PolarHBondContact O-N 3.39Å; N119-I125 WeakPolarHBondContact O-CB 3.27Å; N119-I125 WeakPolarHBondContact O-CG1 3.45Å; N119-H169 PolarHBondContact OD1-CD2 3.15Å; N119-H169 PolarHBondContact OD1-NE2 3.01Å; N119-L201 HydrophobicContact CB-CB 4.38Å; N119-W202 HydrophobicContact CB-CD2 3.96Å; N119-W202 HydrophobicContact CB-CE3 4.47Å; N119-W202 HydrophobicContact CB-CH2 4.08Å; N119-W202 HydrophobicContact CB-CZ2 3.47Å; N119-W202 VanDerWaalsContact CB-CZ2 3.47Å; N119-W202 WeakPolarHBondContact ND2-CH2 3.33Å; N119-W202 WeakPolarHBondContact ND2-CZ2 3.35Å; N119-H244 PolarHBondContact OD1-CE1 2.86Å; N119-H244 PolarHBondContact OD1-ND1 3.24Å
120H98.1Very high97.6Very high7 Ų734 Ų343%0.03218%0.18CC..G310 helixtrans-74.7-9.9173.9-74.9-95.5000113.6H61 D87 V89 D90 G118 F122 I125 N126 Y129H61-H120 AromaticContact CE1-CD2 3.56Å; H61-H120 AromaticContact CE1-CG 3.78Å; H61-H120 AromaticContact CE1-NE2 3.74Å; D87-H120 VanDerWaalsContact CG-CD2 3.47Å; D87-H120 WeakPolarHBondContact OD1-CB 3.34Å; D87-H120 IonicContact OD1-CD2 2.83Å; D87-H120 PolarHBondContact OD1-CD2 3.32Å; D87-H120 IonicContact OD1-CG 3.1Å; D87-H120 PolarHBondContact OD1-N 3.34Å; D87-H120 IonicContact OD2-CD2 3.3Å; D87-H120 PolarHBondContact OD2-CD2 3.07Å; D87-H120 IonicContact OD2-CG 3.49Å; D87-H120 IonicContact OD2-NE2 3.69Å; V89-H120 HydrophobicContact CG2-CB 4.29Å; V89-H120 WeakPolarHBondContact CG2-O 3.45Å; D90-H120 VanDerWaalsContact CB-ND1 3.3Å; D90-H120 WeakPolarHBondContact CB-ND1 3.44Å; D90-H120 IonicContact OD2-CE1 2.7Å; D90-H120 IonicContact OD2-CG 2.71Å; D90-H120 IonicContact OD2-ND1 3.67Å; D90-H120 PolarHBondContact OD2-ND1 3.47Å; G118-H120 PolarHBondContact O-N 3.45Å; H120-F122 PolarHBondContact O-N 2.96Å; H120-I125 HydrophobicContact CB-CG2 4.42Å; H120-N126 VanDerWaalsContact O-CB 3.28Å; H120-N126 WeakPolarHBondContact O-CB 3.16Å; H120-N126 PolarHBondContact O-ND2 3.07Å; H120-N126 VanDerWaalsContact O-ND2 3.11Å; H120-Y129 AromaticContact CE1-CD2 3.79Å; H120-Y129 AromaticContact CE1-CG 3.61Å
121E98.3Very high97.6Very high0 Ų032.2 Ų32.20%017%0.169CC..G310 helixtrans-87.628.6170.6-77.475.5-133.600112.8D87 Y88 V89 R117 G118 N119 F152 L155D87-E121 PolarHBondContact N-OE2 3.3Å; Y88-E121 HydrophobicContact CD2-CG 4.03Å; Y88-E121 PolarHBondContact N-OE1 3.38Å; V89-E121 PolarHBondContact N-OE1 3.35Å; R117-E121 HydrophobicContact CG-CB 3.67Å; R117-E121 VanDerWaalsContact CZ-O 3.28Å; R117-E121 PolarHBondContact NE-O 2.95Å; R117-E121 PolarHBondContact NH2-O 3.2Å; G118-E121 VanDerWaalsContact CA-OE2 3.3Å; G118-E121 WeakPolarHBondContact CA-OE2 3.41Å; G118-E121 PolarHBondContact N-OE2 3.23Å; G118-E121 PolarHBondContact O-N 3.38Å; N119-E121 PolarHBondContact O-N 3.41Å; E121-F152 HydrophobicContact CB-CB 4Å; E121-F152 HydrophobicContact CB-CD1 4.24Å; E121-F152 HydrophobicContact CB-CD2 4.1Å; E121-F152 HydrophobicContact CB-CG 3.88Å; E121-F152 HydrophobicContact CG-CB 4.49Å; E121-F152 HydrophobicContact CG-CD1 3.79Å; E121-F152 HydrophobicContact CG-CD2 4.1Å; E121-F152 HydrophobicContact CG-CE1 3.94Å; E121-F152 HydrophobicContact CG-CE2 4.23Å; E121-F152 HydrophobicContact CG-CG 3.89Å; E121-F152 HydrophobicContact CG-CZ 4.17Å; E121-F152 WeakPolarHBondContact O-CB 3.46Å; E121-L155 HydrophobicContact CB-CD1 4.08Å; E121-L155 HydrophobicContact CG-CD1 3.87Å
122F97.6Very high97.7Very high4 Ų426.9 Ų26.92%0.01814%0.144CC..SBendtrans-117.7143.8169.8-72.6-104.2000111.2R117 N119 H120 N124 I125 N126 M189 L201R117-F122 HydrophobicContact CG-CE2 4.12Å; R117-F122 VanDerWaalsContact CZ-CZ 3.46Å; R117-F122 VanDerWaalsContact NE-CE2 3.32Å; N119-F122 PolarHBondContact O-N 3.39Å; H120-F122 PolarHBondContact O-N 2.96Å; F122-N124 WeakPolarHBondContact CB-OD1 3.3Å; F122-N124 PolarHBondContact O-N 3.3Å; F122-I125 HydrophobicContact CB-CG1 4.28Å; F122-I125 PolarHBondContact O-N 2.8Å; F122-I125 VanDerWaalsContact O-N 3.14Å; F122-N126 PolarHBondContact O-N 2.94Å; F122-N126 PolarHBondContact O-ND2 2.87Å; F122-M189 HydrophobicContact CE1-CE 4.06Å; F122-M189 HydrophobicContact CZ-CE 3.53Å; F122-L201 HydrophobicContact CD2-CD1 4.46Å; F122-L201 HydrophobicContact CE2-CD1 3.34Å; F122-L201 HydrophobicContact CE2-CD2 4.33Å; F122-L201 HydrophobicContact CE2-CG 4.46Å; F122-L201 HydrophobicContact CZ-CD1 3.41Å; F122-L201 VanDerWaalsContact CZ-CD1 3.41Å
123D96.8Very high97.7Very high58 Ų5832.4 Ų32.431%0.3117%0.169SC..Hα-helixtrans-62.1-45.2-173.755.5-0.2000112.3I125 N126 Q127 W145 N149D123-I125 PolarHBondContact O-N 3Å; D123-N126 PolarHBondContact O-N 3.29Å; D123-Q127 WeakPolarHBondContact O-CB 3.32Å; D123-Q127 PolarHBondContact O-N 2.99Å; D123-W145 HydrophobicContact CB-CH2 3.82Å; D123-W145 HydrophobicContact CB-CZ2 3.75Å; D123-W145 WeakPolarHBondContact O-CZ2 3.29Å; D123-N149 WeakPolarHBondContact CA-OD1 3.49Å; D123-N149 HydrophobicContact CB-CB 4.22Å; D123-N149 PolarHBondContact N-OD1 3.17Å
124N95.4Very high97.5Very high79 Ų7933.1 Ų33.142%0.42217%0.173SC..Hα-helixtrans-61-27.2177.668.5-56000113.3F122F122-N124 WeakPolarHBondContact CB-OD1 3.3Å; F122-N124 PolarHBondContact O-N 3.3Å
125I96.8Very high97.5Very high19 Ų1933 Ų3310%0.09717%0.173CC..Hα-helixtrans-85.4-56.1177.1-56.7-54.7000109.8N119 H120 F122 D123 Q127 V128 Y129 W202N119-I125 WeakPolarHBondContact O-CB 3.27Å; N119-I125 WeakPolarHBondContact O-CG1 3.45Å; H120-I125 HydrophobicContact CB-CG2 4.42Å; F122-I125 HydrophobicContact CB-CG1 4.28Å; F122-I125 PolarHBondContact O-N 2.8Å; F122-I125 VanDerWaalsContact O-N 3.14Å; D123-I125 PolarHBondContact O-N 3Å; I125-Q127 PolarHBondContact O-N 3Å; I125-Q127 VanDerWaalsContact O-N 3.15Å; I125-V128 PolarHBondContact O-N 2.86Å; I125-Y129 HydrophobicContact CG2-CD2 3.55Å; I125-Y129 HydrophobicContact CG2-CE2 3.91Å; I125-Y129 VanDerWaalsContact O-CD2 3.29Å; I125-Y129 WeakPolarHBondContact O-CD2 3.49Å; I125-Y129 PolarHBondContact O-N 2.79Å; I125-Y129 VanDerWaalsContact O-N 3.12Å; I125-W202 HydrophobicContact CD1-CH2 3.94Å; I125-W202 HydrophobicContact CD1-CZ2 3.66Å; I125-W202 HydrophobicContact CG1-CH2 4.49Å; I125-W202 HydrophobicContact CG1-CZ2 3.97Å
126N97.9Very high97.4Very high0 Ų036.2 Ų36.20%019%0.188CC..Hα-helixtrans-75.3-5.4-175.171.241.6000114.9V89 D90 H120 F122 D123 V128 F131 N132 W145 N149V89-N126 HydrophobicContact CG2-CB 4.2Å; D90-N126 WeakPolarHBondContact OD2-CA 3.49Å; D90-N126 VanDerWaalsContact OD2-CB 3.26Å; D90-N126 WeakPolarHBondContact OD2-CB 3.36Å; H120-N126 VanDerWaalsContact O-CB 3.28Å; H120-N126 WeakPolarHBondContact O-CB 3.16Å; H120-N126 PolarHBondContact O-ND2 3.07Å; H120-N126 VanDerWaalsContact O-ND2 3.11Å; F122-N126 PolarHBondContact O-N 2.94Å; F122-N126 PolarHBondContact O-ND2 2.87Å; D123-N126 PolarHBondContact O-N 3.29Å; N126-V128 VanDerWaalsContact C-N 3.32Å; N126-F131 HydrophobicContact CB-CB 3.9Å; N126-F131 HydrophobicContact CB-CD1 4.21Å; N126-N132 WeakPolarHBondContact O-CB 3.46Å; N126-N132 PolarHBondContact O-N 3.14Å; N126-W145 PolarHBondContact OD1-NE1 3.44Å; N126-N149 PolarHBondContact ND2-OD1 3.17Å; N126-N149 PolarHBondContact OD1-ND2 2.87Å; N126-N149 PolarHBondContact OD1-OD1 2.87Å
127Q97.4Very high97.3Very high112 Ų11242.6 Ų42.652%0.52321%0.213SC..THydrogen-bonded Turntrans-66.5-33.8161.3-175.3169.8-3.800112.4D123 I125 W145D123-Q127 WeakPolarHBondContact O-CB 3.32Å; D123-Q127 PolarHBondContact O-N 2.99Å; I125-Q127 PolarHBondContact O-N 3Å; I125-Q127 VanDerWaalsContact O-N 3.15Å; Q127-W145 HydrophobicContact CB-CH2 4.39Å; Q127-W145 HydrophobicContact CB-CZ2 3.88Å
128V96.8Very high97.2Very high108 Ų10843.2 Ų43.266%0.65522%0.215SC*.THydrogen-bonded Turntrans-100.2-35.4-171-176.60000112.2I125 N126I125-V128 PolarHBondContact O-N 2.86Å; N126-V128 VanDerWaalsContact C-N 3.32Å
129Y97Very high97.1Very high100 Ų10044.3 Ų44.339%0.39222%0.219SC..SBendtrans-94.57.3-169.4-70.4-82.2000115.9D90 R91 H120 I125D90-Y129 WeakPolarHBondContact CB-O 3.32Å; D90-Y129 VanDerWaalsContact CG-CB 3.47Å; R91-Y129 PolarHBondContact N-O 3.16Å; R91-Y129 VanDerWaalsContact N-O 3.07Å; H120-Y129 AromaticContact CE1-CD2 3.79Å; H120-Y129 AromaticContact CE1-CG 3.61Å; I125-Y129 HydrophobicContact CG2-CD2 3.55Å; I125-Y129 HydrophobicContact CG2-CE2 3.91Å; I125-Y129 VanDerWaalsContact O-CD2 3.29Å; I125-Y129 WeakPolarHBondContact O-CD2 3.49Å; I125-Y129 PolarHBondContact O-N 2.79Å; I125-Y129 VanDerWaalsContact O-N 3.12Å
130G95.4Very high97.1Very high27 Ų2747 Ų4728%0.27825%0.247SC..SBendtrans125.3-21.4161.700000116.3D90 N132 M133 D134D90-G130 PolarHBondContact OD1-N 3.06Å; D90-G130 VanDerWaalsContact OD1-N 3.16Å; G130-N132 PolarHBondContact O-N 3.04Å; G130-M133 PolarHBondContact O-N 3.23Å; G130-D134 WeakPolarHBondContact O-CB 3.32Å; G130-D134 PolarHBondContact O-N 3Å
131F98.2Very high97Very high0 Ų048.9 Ų48.90%026%0.258CS..Hα-helixtrans-65.3-43.3-176.3-174.5-129.7000112.4V89 D90 I96 N126 D134 I135 F148 F152V89-F131 HydrophobicContact CB-CB 4.11Å; V89-F131 HydrophobicContact CB-CD1 4.26Å; V89-F131 HydrophobicContact CB-CD2 3.86Å; V89-F131 HydrophobicContact CB-CE2 4.27Å; V89-F131 HydrophobicContact CB-CG 3.83Å; V89-F131 HydrophobicContact CG1-CD1 4.3Å; V89-F131 HydrophobicContact CG1-CD2 3.9Å; V89-F131 HydrophobicContact CG1-CE1 4.21Å; V89-F131 HydrophobicContact CG1-CE2 3.78Å; V89-F131 HydrophobicContact CG1-CG 4.15Å; V89-F131 HydrophobicContact CG1-CZ 3.93Å; V89-F131 HydrophobicContact CG2-CB 4.18Å; V89-F131 HydrophobicContact CG2-CD1 4.18Å; V89-F131 HydrophobicContact CG2-CG 4.1Å; D90-F131 WeakPolarHBondContact OD1-CB 3.45Å; D90-F131 PolarHBondContact OD1-N 3.37Å; I96-F131 HydrophobicContact CG1-CE2 3.84Å; N126-F131 HydrophobicContact CB-CB 3.9Å; N126-F131 HydrophobicContact CB-CD1 4.21Å; F131-D134 PolarHBondContact O-N 2.9Å; F131-I135 HydrophobicContact CD1-CD1 4.13Å; F131-I135 HydrophobicContact CD2-CD1 4.33Å; F131-I135 HydrophobicContact CD2-CG1 4.46Å; F131-I135 HydrophobicContact CE1-CD1 3.66Å; F131-I135 HydrophobicContact CE2-CD1 3.91Å; F131-I135 HydrophobicContact CE2-CG1 4.22Å; F131-I135 HydrophobicContact CG-CD1 4.44Å; F131-I135 HydrophobicContact CZ-CD1 3.57Å; F131-I135 HydrophobicContact CZ-CG1 4.36Å; F131-I135 WeakPolarHBondContact O-CG1 3.36Å; F131-I135 PolarHBondContact O-N 2.85Å; F131-F148 HydrophobicContact CE1-CB 3.77Å; F131-F148 HydrophobicContact CE1-CD2 4.29Å; F131-F148 HydrophobicContact CE1-CG 4.02Å; F131-F148 HydrophobicContact CZ-CB 4.04Å; F131-F148 HydrophobicContact CZ-CD1 4.13Å; F131-F148 AromaticContact CZ-CD2 3.84Å; F131-F148 HydrophobicContact CZ-CD2 3.84Å; F131-F148 HydrophobicContact CZ-CE2 4.27Å; F131-F148 AromaticContact CZ-CG 3.75Å; F131-F148 HydrophobicContact CZ-CG 3.75Å; F131-F152 HydrophobicContact CD1-CE2 4.29Å; F131-F152 AromaticContact CE1-CE2 3.68Å; F131-F152 HydrophobicContact CE1-CE2 3.68Å; F131-F152 HydrophobicContact CE1-CZ 4.07Å; F131-F152 HydrophobicContact CZ-CE2 4.35Å; F131-F152 HydrophobicContact CZ-CZ 4.3Å
132N98.1Very high96.9Very high22 Ų2252.6 Ų52.612%0.11828%0.276CS..Hα-helixtrans-57.9-49.5173.7179.2-90.2000111.6N126 G130 D134 I135 M136 M142 W145N126-N132 WeakPolarHBondContact O-CB 3.46Å; N126-N132 PolarHBondContact O-N 3.14Å; G130-N132 PolarHBondContact O-N 3.04Å; N132-D134 VanDerWaalsContact C-N 3.3Å; N132-D134 PolarHBondContact O-N 2.89Å; N132-I135 PolarHBondContact O-N 3.02Å; N132-M136 WeakPolarHBondContact O-CG 3.14Å; N132-M136 PolarHBondContact O-N 2.92Å; N132-M142 WeakPolarHBondContact ND2-CE 3.45Å; N132-W145 HydrophobicContact CB-CD2 4.46Å; N132-W145 HydrophobicContact CB-CG 4.32Å; N132-W145 VanDerWaalsContact ND2-CG 3.34Å
133M97Very high97Very high137 Ų13760 Ų6068%0.67531%0.308SS*.Hα-helixtrans-59.7-41.6178.1-176.6-175.4174.100111.3G130 M136 R137G130-M133 PolarHBondContact O-N 3.23Å; M133-M136 PolarHBondContact O-N 3.18Å; M133-R137 WeakPolarHBondContact O-CB 3.12Å; M133-R137 PolarHBondContact O-N 2.8Å
134D95.7Very high97.1Very high16 Ų1657.3 Ų57.39%0.08629%0.294CS..Hα-helixtrans-64.2-43.2178.4-166.540.4000111.9G130 F131 N132 R137 R138G130-D134 WeakPolarHBondContact O-CB 3.32Å; G130-D134 PolarHBondContact O-N 3Å; F131-D134 PolarHBondContact O-N 2.9Å; N132-D134 VanDerWaalsContact C-N 3.3Å; N132-D134 PolarHBondContact O-N 2.89Å; D134-R137 PolarHBondContact O-N 2.92Å; D134-R137 IonicContact OD1-CZ 3.07Å; D134-R137 IonicContact OD1-NE 3.51Å; D134-R137 IonicContact OD1-NH2 3.47Å; D134-R137 PolarHBondContact OD1-NH2 3.24Å; D134-R138 VanDerWaalsContact CG-NE 3.27Å; D134-R138 WeakPolarHBondContact O-CB 3.31Å; D134-R138 VanDerWaalsContact O-CG 3.25Å; D134-R138 WeakPolarHBondContact O-CG 3.35Å; D134-R138 PolarHBondContact O-N 3.34Å; D134-R138 WeakPolarHBondContact OD1-CD 3.48Å; D134-R138 IonicContact OD1-CZ 3.39Å; D134-R138 IonicContact OD1-NE 2.82Å; D134-R138 PolarHBondContact OD1-NE 3.3Å; D134-R138 IonicContact OD1-NH2 3.61Å; D134-R138 IonicContact OD2-CZ 2.86Å; D134-R138 IonicContact OD2-NE 2.69Å; D134-R138 PolarHBondContact OD2-NE 3.29Å; D134-R138 VanDerWaalsContact OD2-NE 3.1Å; D134-R138 IonicContact OD2-NH2 2.72Å; D134-R138 PolarHBondContact OD2-NH2 2.8Å
135I97.7Very high97.2Very high0 Ų054.5 Ų54.50%028%0.277CS..Hα-helixtrans-62.3-48.9174.1-72.2176.6000111I96 F131 N132 R137 R138 Y139 V144 W145 F148I96-I135 HydrophobicContact CD1-CG1 3.78Å; I96-I135 HydrophobicContact CG1-CG1 4.25Å; F131-I135 HydrophobicContact CD1-CD1 4.13Å; F131-I135 HydrophobicContact CD2-CD1 4.33Å; F131-I135 HydrophobicContact CD2-CG1 4.46Å; F131-I135 HydrophobicContact CE1-CD1 3.66Å; F131-I135 HydrophobicContact CE2-CD1 3.91Å; F131-I135 HydrophobicContact CE2-CG1 4.22Å; F131-I135 HydrophobicContact CG-CD1 4.44Å; F131-I135 HydrophobicContact CZ-CD1 3.57Å; F131-I135 HydrophobicContact CZ-CG1 4.36Å; F131-I135 WeakPolarHBondContact O-CG1 3.36Å; F131-I135 PolarHBondContact O-N 2.85Å; N132-I135 PolarHBondContact O-N 3.02Å; I135-R137 VanDerWaalsContact C-N 3.32Å; I135-R137 PolarHBondContact O-N 2.84Å; I135-R138 PolarHBondContact O-N 3.46Å; I135-Y139 WeakPolarHBondContact O-CB 3.4Å; I135-Y139 PolarHBondContact O-N 3.41Å; I135-V144 HydrophobicContact CD1-CG1 4.39Å; I135-V144 HydrophobicContact CG2-CB 3.8Å; I135-V144 HydrophobicContact CG2-CG1 3.86Å; I135-W145 HydrophobicContact CB-CB 4.38Å; I135-W145 HydrophobicContact CD1-CB 3.87Å; I135-W145 HydrophobicContact CD1-CG 4.39Å; I135-W145 HydrophobicContact CG2-CB 4Å; I135-F148 HydrophobicContact CD1-CD2 3.65Å; I135-F148 HydrophobicContact CD1-CE2 4.14Å
136M97.6Very high97.3Very high68 Ų6859.5 Ų59.534%0.33530%0.298SS..Hα-helixtrans-62-41.1-179.3-69.7-54.9-57.400111.6N132 M133 G140 M142N132-M136 WeakPolarHBondContact O-CG 3.14Å; N132-M136 PolarHBondContact O-N 2.92Å; M133-M136 PolarHBondContact O-N 3.18Å; M136-G140 WeakPolarHBondContact O-CA 3.44Å; M136-G140 PolarHBondContact O-N 3.33Å; M136-M142 HydrophobicContact SD-CB 3.92Å; M136-M142 HydrophobicContact SD-CE 4.28Å
137R96.2Very high97.3Very high134 Ų13460.3 Ų60.351%0.50630%0.302SS..Hα-helixtrans-65.9-38.5177.3-176.8-174.865.989.60.1112.9M133 D134 I135M133-R137 WeakPolarHBondContact O-CB 3.12Å; M133-R137 PolarHBondContact O-N 2.8Å; D134-R137 PolarHBondContact O-N 2.92Å; D134-R137 IonicContact OD1-CZ 3.07Å; D134-R137 IonicContact OD1-NE 3.51Å; D134-R137 IonicContact OD1-NH2 3.47Å; D134-R137 PolarHBondContact OD1-NH2 3.24Å; I135-R137 VanDerWaalsContact C-N 3.32Å; I135-R137 PolarHBondContact O-N 2.84Å
138R96.3Very high97.4Very high16 Ų1655 Ų556%0.0628%0.277CS..Hα-helixtrans-87.5-33.1-175.5-67.6173.8-179.1-131.722.4113Q22 Q23 P93 E97 D134 I135Q22-R138 HydrophobicContact CG-CG 4.28Å; Q22-R138 WeakPolarHBondContact O-CD 3.48Å; Q22-R138 VanDerWaalsContact O-CG 3.28Å; Q22-R138 WeakPolarHBondContact O-CG 3.45Å; Q22-R138 PolarHBondContact O-NH1 3.14Å; Q23-R138 VanDerWaalsContact CG-O 3.27Å; Q23-R138 WeakPolarHBondContact CG-O 3.07Å; Q23-R138 PolarHBondContact NE2-O 2.66Å; P93-R138 PolarHBondContact O-NH2 2.9Å; E97-R138 IonicContact OE1-CZ 3.38Å; E97-R138 IonicContact OE1-NH1 3.53Å; E97-R138 PolarHBondContact OE1-NH1 3.32Å; E97-R138 IonicContact OE1-NH2 3.38Å; E97-R138 PolarHBondContact OE1-NH2 3.26Å; E97-R138 IonicContact OE2-CZ 3.99Å; E97-R138 IonicContact OE2-NH1 3.35Å; E97-R138 IonicContact OE2-NH2 3.2Å; E97-R138 PolarHBondContact OE2-NH2 3.46Å; D134-R138 VanDerWaalsContact CG-NE 3.27Å; D134-R138 WeakPolarHBondContact O-CB 3.31Å; D134-R138 VanDerWaalsContact O-CG 3.25Å; D134-R138 WeakPolarHBondContact O-CG 3.35Å; D134-R138 PolarHBondContact O-N 3.34Å; D134-R138 WeakPolarHBondContact OD1-CD 3.48Å; D134-R138 IonicContact OD1-CZ 3.39Å; D134-R138 IonicContact OD1-NE 2.82Å; D134-R138 PolarHBondContact OD1-NE 3.3Å; D134-R138 IonicContact OD1-NH2 3.61Å; D134-R138 IonicContact OD2-CZ 2.86Å; D134-R138 IonicContact OD2-NE 2.69Å; D134-R138 PolarHBondContact OD2-NE 3.29Å; D134-R138 VanDerWaalsContact OD2-NE 3.1Å; D134-R138 IonicContact OD2-NH2 2.72Å; D134-R138 PolarHBondContact OD2-NH2 2.8Å; I135-R138 PolarHBondContact O-N 3.46Å
139Y97.3Very high97.4Very high22 Ų2250.5 Ų50.59%0.08625%0.25CC..Hα-helixtrans-120.2-21.3-171.2-66.4-83.6000114.4Q23 M25 I27 L30 I96 I135 D141Q23-Y139 HydrophobicContact CB-CE1 4.29Å; Q23-Y139 HydrophobicContact CG-CD1 4.37Å; Q23-Y139 HydrophobicContact CG-CE1 3.99Å; M25-Y139 WeakPolarHBondContact O-CE1 3.46Å; M25-Y139 PolarHBondContact O-OH 3.34Å; I27-Y139 HydrophobicContact CD1-CD1 4.41Å; I27-Y139 HydrophobicContact CG1-CD1 3.81Å; I27-Y139 HydrophobicContact CG1-CE1 4.37Å; L30-Y139 HydrophobicContact CD1-CD1 4.34Å; L30-Y139 HydrophobicContact CD1-CE1 3.75Å; L30-Y139 HydrophobicContact CD1-CE2 4.16Å; I96-Y139 HydrophobicContact CD1-CD2 4.09Å; I96-Y139 HydrophobicContact CD1-CE2 3.52Å; I135-Y139 WeakPolarHBondContact O-CB 3.4Å; I135-Y139 PolarHBondContact O-N 3.41Å; Y139-D141 PolarHBondContact O-N 3.25Å; Y139-D141 VanDerWaalsContact O-N 3.13Å
140G96.6Very high97.5Very high58 Ų5851 Ų5160%0.59826%0.256SS*.  trans64.211.8-176.900000114.6M136M136-G140 WeakPolarHBondContact O-CA 3.44Å; M136-G140 PolarHBondContact O-N 3.33Å
141D96.8Very high97.7Very high47 Ų4749.7 Ų49.725%0.25124%0.242SC..  trans-129.2110.1-171.8-173.1-1.5000112I27 Y139 K143 V144I27-D141 HydrophobicContact CD1-CB 4.41Å; Y139-D141 PolarHBondContact O-N 3.25Å; Y139-D141 VanDerWaalsContact O-N 3.13Å; D141-K143 PolarHBondContact O-N 3.18Å; D141-K143 WeakPolarHBondContact OD1-CB 3.49Å; D141-K143 WeakPolarHBondContact OD1-CG 3.5Å; D141-K143 PolarHBondContact OD1-N 2.79Å; D141-V144 HydrophobicContact CB-CG2 4.09Å; D141-V144 WeakPolarHBondContact O-CB 3.34Å; D141-V144 PolarHBondContact O-N 2.9Å; D141-V144 VanDerWaalsContact O-N 3.09Å
142M97.4Very high97.7Very high77 Ų7749.7 Ų49.738%0.37924%0.242SC..Hα-helixtrans-65.7-18.9177.6-174.7153-92.700113.2N132 M136 V144 W145 K146N132-M142 WeakPolarHBondContact ND2-CE 3.45Å; M136-M142 HydrophobicContact SD-CB 3.92Å; M136-M142 HydrophobicContact SD-CE 4.28Å; M142-V144 PolarHBondContact O-N 2.72Å; M142-W145 HydrophobicContact CE-CE3 4.42Å; M142-W145 HydrophobicContact CG-CE3 4.22Å; M142-W145 PolarHBondContact O-N 2.69Å; M142-K146 WeakPolarHBondContact O-CG 3.46Å; M142-K146 PolarHBondContact O-N 3.25Å
143K98.3Very high97.7Very high159 Ų15949 Ų4969%0.69124%0.239SC*.Hα-helixtrans-64.8-30.2173-62.4174.5-178.81740111.7D141 K146 L147D141-K143 PolarHBondContact O-N 3.18Å; D141-K143 WeakPolarHBondContact OD1-CB 3.49Å; D141-K143 WeakPolarHBondContact OD1-CG 3.5Å; D141-K143 PolarHBondContact OD1-N 2.79Å; K143-K146 PolarHBondContact O-N 3.42Å; K143-L147 WeakPolarHBondContact O-CB 3.12Å; K143-L147 PolarHBondContact O-N 3.45Å
144V98.4Very high97.8Very high2 Ų244.5 Ų44.51%0.01222%0.215CC..Hα-helixtrans-66.2-43.9175.3178.70000110.6I27 L30 I135 D141 M142 L147 F148I27-V144 HydrophobicContact CD1-CG2 4.21Å; I27-V144 HydrophobicContact CG1-CG2 4.02Å; I27-V144 HydrophobicContact CG2-CG2 4.35Å; L30-V144 HydrophobicContact CD1-CG1 3.63Å; I135-V144 HydrophobicContact CD1-CG1 4.39Å; I135-V144 HydrophobicContact CG2-CB 3.8Å; I135-V144 HydrophobicContact CG2-CG1 3.86Å; D141-V144 HydrophobicContact CB-CG2 4.09Å; D141-V144 WeakPolarHBondContact O-CB 3.34Å; D141-V144 PolarHBondContact O-N 2.9Å; D141-V144 VanDerWaalsContact O-N 3.09Å; M142-V144 PolarHBondContact O-N 2.72Å; V144-L147 WeakPolarHBondContact O-CB 3.48Å; V144-L147 PolarHBondContact O-N 2.67Å; V144-F148 HydrophobicContact CG1-CD2 4.1Å; V144-F148 HydrophobicContact CG1-CE2 3.92Å; V144-F148 VanDerWaalsContact O-CD2 3.29Å; V144-F148 WeakPolarHBondContact O-CD2 3.34Å; V144-F148 PolarHBondContact O-N 2.72Å; V144-F148 VanDerWaalsContact O-N 3.12Å
145W98.3Very high97.9Very high20 Ų2043.8 Ų43.88%0.07621%0.211CC..Hα-helixtrans-65.8-40.3176.3175.576.8000112.2D123 N126 Q127 N132 I135 M142 L147 F148 N149D123-W145 HydrophobicContact CB-CH2 3.82Å; D123-W145 HydrophobicContact CB-CZ2 3.75Å; D123-W145 WeakPolarHBondContact O-CZ2 3.29Å; N126-W145 PolarHBondContact OD1-NE1 3.44Å; Q127-W145 HydrophobicContact CB-CH2 4.39Å; Q127-W145 HydrophobicContact CB-CZ2 3.88Å; N132-W145 HydrophobicContact CB-CD2 4.46Å; N132-W145 HydrophobicContact CB-CG 4.32Å; N132-W145 VanDerWaalsContact ND2-CG 3.34Å; I135-W145 HydrophobicContact CB-CB 4.38Å; I135-W145 HydrophobicContact CD1-CB 3.87Å; I135-W145 HydrophobicContact CD1-CG 4.39Å; I135-W145 HydrophobicContact CG2-CB 4Å; M142-W145 HydrophobicContact CE-CE3 4.42Å; M142-W145 HydrophobicContact CG-CE3 4.22Å; M142-W145 PolarHBondContact O-N 2.69Å; W145-L147 VanDerWaalsContact C-N 3.34Å; W145-L147 PolarHBondContact O-N 3.16Å; W145-F148 PolarHBondContact O-N 3.37Å; W145-N149 PolarHBondContact NE1-ND2 3.11Å; W145-N149 PolarHBondContact O-N 3.41Å; W145-N149 VanDerWaalsContact O-N 3.09Å; W145-N149 PolarHBondContact O-ND2 3.4Å
146K98.4Very high97.9Very high124 Ų12443.8 Ų43.854%0.53921%0.211SC..Hα-helixtrans-62.7-40173.8-71.7178178.3179.80112.3M142 K143 N149 Q150M142-K146 WeakPolarHBondContact O-CG 3.46Å; M142-K146 PolarHBondContact O-N 3.25Å; K143-K146 PolarHBondContact O-N 3.42Å; K146-N149 PolarHBondContact O-N 2.79Å; K146-Q150 WeakPolarHBondContact O-CB 3.36Å; K146-Q150 PolarHBondContact O-N 3Å
147L98.6Very high98Very high17 Ų1740.6 Ų40.69%0.08920%0.195CC..Hα-helixtrans-58.8-50.1175.7171.670.7000111.1N31 C34 K143 V144 W145 N149 Q150 T151N31-L147 HydrophobicContact CB-CD2 4.43Å; C34-L147 HydrophobicContact CB-CD1 3.7Å; C34-L147 HydrophobicContact CB-CD2 3.85Å; C34-L147 HydrophobicContact CB-CG 3.64Å; K143-L147 WeakPolarHBondContact O-CB 3.12Å; K143-L147 PolarHBondContact O-N 3.45Å; V144-L147 WeakPolarHBondContact O-CB 3.48Å; V144-L147 PolarHBondContact O-N 2.67Å; W145-L147 VanDerWaalsContact C-N 3.34Å; W145-L147 PolarHBondContact O-N 3.16Å; L147-N149 PolarHBondContact O-N 3.12Å; L147-Q150 PolarHBondContact O-N 3.21Å; L147-T151 PolarHBondContact O-N 2.69Å; L147-T151 PolarHBondContact O-OG1 3.1Å
148F98.7Very high98.1Very high0 Ų034.2 Ų34.20%017%0.171CC..Hα-helixtrans-60.3-46.3177.5-83.3-71.3000112.3L30 I96 I99 F103 F131 I135 V144 W145 Q150 T151 F152L30-F148 HydrophobicContact CD1-CE2 4.33Å; L30-F148 HydrophobicContact CD2-CE2 4.33Å; L30-F148 HydrophobicContact CD2-CZ 3.9Å; I96-F148 HydrophobicContact CG2-CZ 4.34Å; I99-F148 HydrophobicContact CG2-CD1 4.16Å; I99-F148 HydrophobicContact CG2-CE1 3.57Å; I99-F148 HydrophobicContact CG2-CZ 4.18Å; F103-F148 HydrophobicContact CE2-CD1 4.2Å; F103-F148 HydrophobicContact CE2-CE1 4.28Å; F131-F148 HydrophobicContact CE1-CB 3.77Å; F131-F148 HydrophobicContact CE1-CD2 4.29Å; F131-F148 HydrophobicContact CE1-CG 4.02Å; F131-F148 HydrophobicContact CZ-CB 4.04Å; F131-F148 HydrophobicContact CZ-CD1 4.13Å; F131-F148 AromaticContact CZ-CD2 3.84Å; F131-F148 HydrophobicContact CZ-CD2 3.84Å; F131-F148 HydrophobicContact CZ-CE2 4.27Å; F131-F148 AromaticContact CZ-CG 3.75Å; F131-F148 HydrophobicContact CZ-CG 3.75Å; I135-F148 HydrophobicContact CD1-CD2 3.65Å; I135-F148 HydrophobicContact CD1-CE2 4.14Å; V144-F148 HydrophobicContact CG1-CD2 4.1Å; V144-F148 HydrophobicContact CG1-CE2 3.92Å; V144-F148 VanDerWaalsContact O-CD2 3.29Å; V144-F148 WeakPolarHBondContact O-CD2 3.34Å; V144-F148 PolarHBondContact O-N 2.72Å; V144-F148 VanDerWaalsContact O-N 3.12Å; W145-F148 PolarHBondContact O-N 3.37Å; F148-Q150 VanDerWaalsContact C-N 3.32Å; F148-Q150 PolarHBondContact O-N 3.28Å; F148-T151 CarbonylContact O-C 3.56Å; F148-T151 WeakPolarHBondContact O-CA 3.28Å; F148-T151 WeakPolarHBondContact O-CB 3.46Å; F148-T151 PolarHBondContact O-N 3.31Å; F148-F152 HydrophobicContact CB-CE2 4.09Å; F148-F152 HydrophobicContact CB-CZ 4.3Å; F148-F152 HydrophobicContact CD1-CZ 4.27Å; F148-F152 WeakPolarHBondContact O-CD2 3.46Å; F148-F152 VanDerWaalsContact O-CG 3.23Å; F148-F152 WeakPolarHBondContact O-CG 3.34Å; F148-F152 PolarHBondContact O-N 3.37Å
149N98.5Very high98.2Very high14 Ų1433.4 Ų33.48%0.07517%0.168CC..Hα-helixtrans-64.9-35.5178.8-79.2-66.6000112.9D123 N126 W145 K146 L147 T151 F152 S153D123-N149 WeakPolarHBondContact CA-OD1 3.49Å; D123-N149 HydrophobicContact CB-CB 4.22Å; D123-N149 PolarHBondContact N-OD1 3.17Å; N126-N149 PolarHBondContact ND2-OD1 3.17Å; N126-N149 PolarHBondContact OD1-ND2 2.87Å; N126-N149 PolarHBondContact OD1-OD1 2.87Å; W145-N149 PolarHBondContact NE1-ND2 3.11Å; W145-N149 PolarHBondContact O-N 3.41Å; W145-N149 VanDerWaalsContact O-N 3.09Å; W145-N149 PolarHBondContact O-ND2 3.4Å; K146-N149 PolarHBondContact O-N 2.79Å; L147-N149 PolarHBondContact O-N 3.12Å; N149-T151 VanDerWaalsContact C-N 3.32Å; N149-T151 PolarHBondContact O-N 2.86Å; N149-F152 PolarHBondContact O-N 3.15Å; N149-S153 PolarHBondContact O-N 3.46Å
150Q98.2Very high98.3Very high110 Ų11032.5 Ų32.551%0.51417%0.165SC..Hα-helixtrans-61.5-42.6170.4-177.1176.1-100111K146 L147 F148 S153 W154K146-Q150 WeakPolarHBondContact O-CB 3.36Å; K146-Q150 PolarHBondContact O-N 3Å; L147-Q150 PolarHBondContact O-N 3.21Å; F148-Q150 VanDerWaalsContact C-N 3.32Å; F148-Q150 PolarHBondContact O-N 3.28Å; Q150-S153 PolarHBondContact O-N 2.72Å; Q150-S153 PolarHBondContact O-OG 3Å; Q150-W154 VanDerWaalsContact O-CD1 3.26Å
151T98.7Very high98.4Very high0 Ų029.7 Ų29.70%014%0.136CC..Hα-helixtrans-65.4-44.1174.9-56.60000112.2C34 V37 L41 F103 L147 F148 N149 S153 W154C34-T151 WeakPolarHBondContact CB-OG1 3.35Å; V37-T151 HydrophobicContact CG1-CG2 3.43Å; V37-T151 VanDerWaalsContact CG1-CG2 3.43Å; L41-T151 HydrophobicContact CD1-CG2 4.32Å; F103-T151 HydrophobicContact CE1-CG2 4.48Å; F103-T151 HydrophobicContact CE2-CG2 3.69Å; F103-T151 HydrophobicContact CZ-CG2 3.64Å; L147-T151 PolarHBondContact O-N 2.69Å; L147-T151 PolarHBondContact O-OG1 3.1Å; F148-T151 CarbonylContact O-C 3.56Å; F148-T151 WeakPolarHBondContact O-CA 3.28Å; F148-T151 WeakPolarHBondContact O-CB 3.46Å; F148-T151 PolarHBondContact O-N 3.31Å; N149-T151 VanDerWaalsContact C-N 3.32Å; N149-T151 PolarHBondContact O-N 2.86Å; T151-S153 PolarHBondContact O-N 2.71Å; T151-W154 WeakPolarHBondContact O-CB 3.32Å; T151-W154 PolarHBondContact O-N 2.84Å; T151-W154 VanDerWaalsContact O-N 3.07Å
152F98.7Very high98.4Very high0 Ų029.2 Ų29.20%013%0.133CC..Hα-helixtrans-59.8-33.2177.1-67-26.8000113.6V89 I99 F103 R117 E121 F131 F148 N149 W154 L155V89-F152 HydrophobicContact CG1-CE2 4.34Å; V89-F152 HydrophobicContact CG1-CZ 3.85Å; V89-F152 HydrophobicContact CG2-CE2 4.49Å; I99-F152 HydrophobicContact CD1-CE1 3.71Å; I99-F152 HydrophobicContact CD1-CZ 4.35Å; I99-F152 HydrophobicContact CG1-CE1 3.58Å; I99-F152 HydrophobicContact CG1-CZ 3.91Å; F103-F152 HydrophobicContact CE2-CE1 4.33Å; F103-F152 AromaticContact CZ-CD1 3.95Å; F103-F152 HydrophobicContact CZ-CD1 3.95Å; F103-F152 AromaticContact CZ-CE1 3.68Å; F103-F152 HydrophobicContact CZ-CE1 3.68Å; R117-F152 PolarHBondContact NE-O 3.38Å; E121-F152 HydrophobicContact CB-CB 4Å; E121-F152 HydrophobicContact CB-CD1 4.24Å; E121-F152 HydrophobicContact CB-CD2 4.1Å; E121-F152 HydrophobicContact CB-CG 3.88Å; E121-F152 HydrophobicContact CG-CB 4.49Å; E121-F152 HydrophobicContact CG-CD1 3.79Å; E121-F152 HydrophobicContact CG-CD2 4.1Å; E121-F152 HydrophobicContact CG-CE1 3.94Å; E121-F152 HydrophobicContact CG-CE2 4.23Å; E121-F152 HydrophobicContact CG-CG 3.89Å; E121-F152 HydrophobicContact CG-CZ 4.17Å; E121-F152 WeakPolarHBondContact O-CB 3.46Å; F131-F152 HydrophobicContact CD1-CE2 4.29Å; F131-F152 AromaticContact CE1-CE2 3.68Å; F131-F152 HydrophobicContact CE1-CE2 3.68Å; F131-F152 HydrophobicContact CE1-CZ 4.07Å; F131-F152 HydrophobicContact CZ-CE2 4.35Å; F131-F152 HydrophobicContact CZ-CZ 4.3Å; F148-F152 HydrophobicContact CB-CE2 4.09Å; F148-F152 HydrophobicContact CB-CZ 4.3Å; F148-F152 HydrophobicContact CD1-CZ 4.27Å; F148-F152 WeakPolarHBondContact O-CD2 3.46Å; F148-F152 VanDerWaalsContact O-CG 3.23Å; F148-F152 WeakPolarHBondContact O-CG 3.34Å; F148-F152 PolarHBondContact O-N 3.37Å; N149-F152 PolarHBondContact O-N 3.15Å; F152-W154 PolarHBondContact O-N 3.16Å; F152-L155 HydrophobicContact CB-CD1 4.3Å; F152-L155 HydrophobicContact CD1-CD1 3.78Å; F152-L155 HydrophobicContact CG-CD1 4.41Å; F152-L155 WeakPolarHBondContact O-CB 3.45Å; F152-L155 PolarHBondContact O-N 3.07Å
153S98Very high98.4Very high8 Ų829.9 Ų29.96%0.05614%0.136CC..THydrogen-bonded Turntrans-59.2-19.6176.876.30000113.6N149 Q150 T151 P188 M189N149-S153 PolarHBondContact O-N 3.46Å; Q150-S153 PolarHBondContact O-N 2.72Å; Q150-S153 PolarHBondContact O-OG 3Å; T151-S153 PolarHBondContact O-N 2.71Å; S153-P188 CarbonylContact O-C 3.59Å; S153-P188 WeakPolarHBondContact O-CA 3.18Å; S153-P188 WeakPolarHBondContact OG-CB 3.23Å; S153-M189 WeakPolarHBondContact CB-O 3.49Å; S153-M189 PolarHBondContact O-N 3.11Å
154W98.5Very high98.4Very high43 Ų4326.6 Ų26.616%0.16312%0.119CC..THydrogen-bonded Turntrans-93.1-2.2175.3-66.5101.5000114.5Q38 L41 Q42 Q150 T151 F152 P156 R187 P188Q38-W154 VanDerWaalsContact CG-CD1 3.49Å; Q38-W154 HydrophobicContact CG-CG 4.09Å; L41-W154 HydrophobicContact CB-CB 3.94Å; L41-W154 HydrophobicContact CD1-CB 4.31Å; Q42-W154 HydrophobicContact CG-CD2 3.71Å; Q42-W154 HydrophobicContact CG-CE3 3.6Å; Q42-W154 HydrophobicContact CG-CG 4.39Å; Q42-W154 HydrophobicContact CG-CH2 3.86Å; Q42-W154 HydrophobicContact CG-CZ2 4Å; Q42-W154 HydrophobicContact CG-CZ3 3.68Å; Q150-W154 VanDerWaalsContact O-CD1 3.26Å; T151-W154 WeakPolarHBondContact O-CB 3.32Å; T151-W154 PolarHBondContact O-N 2.84Å; T151-W154 VanDerWaalsContact O-N 3.07Å; F152-W154 PolarHBondContact O-N 3.16Å; W154-P156 WeakPolarHBondContact O-CD 3.4Å; W154-R187 HydrophobicContact CE3-CB 4.01Å; W154-R187 VanDerWaalsContact CZ3-C 3.5Å; W154-R187 HydrophobicContact CZ3-CB 4.34Å; W154-R187 VanDerWaalsContact CZ3-O 3.27Å; W154-R187 WeakPolarHBondContact CZ3-O 3.42Å; W154-R187 PolarHBondContact O-NH1 3.39Å; W154-P188 HydrophobicContact CD2-CB 3.86Å; W154-P188 HydrophobicContact CD2-CG 4.37Å; W154-P188 HydrophobicContact CE3-CB 4.26Å; W154-P188 HydrophobicContact CG-CB 4.27Å; W154-P188 HydrophobicContact CH2-CB 4.46Å; W154-P188 HydrophobicContact CH2-CG 4Å; W154-P188 HydrophobicContact CZ2-CB 4.04Å; W154-P188 HydrophobicContact CZ2-CG 3.63Å; W154-P188 HydrophobicContact CZ3-CG 4.46Å
155L98.7Very high98.4Very high1 Ų126.8 Ų26.81%0.00512%0.12CC..  trans-65.9133.1178-72.7167.8000110.9L41 Y88 L115 R117 E121 F152 R187L41-L155 HydrophobicContact CD1-CD2 3.93Å; L41-L155 HydrophobicContact CD1-CG 4.37Å; L41-L155 HydrophobicContact CD2-CD2 4.03Å; Y88-L155 HydrophobicContact CE2-CD1 4.26Å; L115-L155 HydrophobicContact CB-CD2 3.77Å; R117-L155 HydrophobicContact CB-CB 3.62Å; R117-L155 HydrophobicContact CB-CD1 4.37Å; R117-L155 HydrophobicContact CG-CB 3.89Å; R117-L155 HydrophobicContact CG-CD1 4.09Å; E121-L155 HydrophobicContact CB-CD1 4.08Å; E121-L155 HydrophobicContact CG-CD1 3.87Å; F152-L155 HydrophobicContact CB-CD1 4.3Å; F152-L155 HydrophobicContact CD1-CD1 3.78Å; F152-L155 HydrophobicContact CG-CD1 4.41Å; F152-L155 WeakPolarHBondContact O-CB 3.45Å; F152-L155 PolarHBondContact O-N 3.07Å; L155-R187 WeakPolarHBondContact O-CD 3.41Å
156P98.5Very high98.4Very high0 Ų025.8 Ų25.80%012%0.116CC..  trans-57.8156.8168.4-27.738.7000112.4Q44 A45 I48 L115 L116 R117 W154Q44-P156 HydrophobicContact CB-CG 4.2Å; A45-P156 WeakPolarHBondContact O-CB 3.35Å; A45-P156 WeakPolarHBondContact O-CG 3.44Å; I48-P156 HydrophobicContact CD1-CB 3.73Å; I48-P156 HydrophobicContact CD1-CG 3.69Å; I48-P156 HydrophobicContact CG1-CB 3.56Å; I48-P156 HydrophobicContact CG1-CG 3.71Å; L115-P156 WeakPolarHBondContact O-CD 3.25Å; L116-P156 CarbonylContact C-O 3.57Å; L116-P156 VanDerWaalsContact CA-O 3.29Å; L116-P156 WeakPolarHBondContact CA-O 3.23Å; L116-P156 HydrophobicContact CD2-CB 4.1Å; R117-P156 PolarHBondContact N-O 2.99Å; W154-P156 WeakPolarHBondContact O-CD 3.4Å
157L98.3Very high98.5Very high0 Ų019.9 Ų19.90%09%0.09CC..SBendtrans-102.1-24.9-174.8-68.9168.2000113.4A46 R117 I185 M189 T197 L200 L201A46-L157 PolarHBondContact O-N 2.92Å; R117-L157 HydrophobicContact CB-CD2 4.05Å; L157-I185 HydrophobicContact CD1-CB 4.5Å; L157-I185 HydrophobicContact CD1-CD1 3.75Å; L157-I185 HydrophobicContact CD1-CG2 3.81Å; L157-M189 HydrophobicContact CD1-CE 3.74Å; L157-M189 HydrophobicContact CD1-SD 4.42Å; L157-M189 HydrophobicContact CD2-CE 3.59Å; L157-M189 HydrophobicContact CG-CE 4.12Å; L157-T197 HydrophobicContact CD1-CG2 3.86Å; L157-L200 HydrophobicContact CB-CD1 4.33Å; L157-L201 HydrophobicContact CD2-CD1 4.17Å; L157-L201 HydrophobicContact CD2-CD2 3.88Å; L157-L201 HydrophobicContact CD2-CG 4.2Å
158A98.8Very high98.5Very high0 Ų019.1 Ų19.10%09%0.086CC..EExtended strand (participates in β ladder)trans-145.8164.1179.500000111.5A46 L47 I48 L116 L166 C167 M168 I182A46-A158 PolarHBondContact O-N 2.81Å; L47-A158 WeakPolarHBondContact CA-O 3.19Å; L47-A158 HydrophobicContact CD1-CB 3.66Å; I48-A158 PolarHBondContact N-O 3.37Å; L116-A158 VanDerWaalsContact CD2-C 3.49Å; L116-A158 WeakPolarHBondContact CD2-O 3.36Å; A158-L166 HydrophobicContact CB-CD1 4.4Å; A158-C167 CarbonylContact C-O 3.58Å; A158-C167 WeakPolarHBondContact CA-O 3.34Å; A158-C167 VanDerWaalsContact CB-O 3.31Å; A158-C167 WeakPolarHBondContact CB-O 3.39Å; A158-M168 HydrophobicContact CB-CB 4.49Å; A158-I182 HydrophobicContact CB-CD1 4.33Å; A158-I182 HydrophobicContact CB-CG2 3.95Å
159A98.9Very high98.5Very high0 Ų019.1 Ų19.10%09%0.086CC..EExtended strand (participates in β ladder)trans-131.1149.2166.800000111.1I48 F50 L83 L116 C167I48-A159 HydrophobicContact CB-CB 4.26Å; I48-A159 CarbonylContact O-C 3.15Å; I48-A159 WeakPolarHBondContact O-CA 3.45Å; F50-A159 HydrophobicContact CE1-CB 4Å; L83-A159 HydrophobicContact CD1-CB 3.83Å; L83-A159 HydrophobicContact CD2-CB 3.82Å; L116-A159 HydrophobicContact CD1-CB 4.32Å; L116-A159 HydrophobicContact CD2-CB 4.21Å; A159-C167 HydrophobicContact CB-CB 4.28Å; A159-C167 PolarHBondContact N-O 2.75Å; A159-C167 PolarHBondContact O-N 3.23Å
160L98.8Very high98.5Very high2 Ų218.4 Ų18.41%0.018%0.083CC..EExtended strand (participates in β ladder)trans-115.9112.3170.3-172.869.5000108.3L47 I48 E49 F50 Q163 I165 L166 L179 L237L47-L160 HydrophobicContact CD1-CB 4.23Å; I48-L160 PolarHBondContact O-N 3.23Å; E49-L160 WeakPolarHBondContact CA-O 3.29Å; E49-L160 HydrophobicContact CG-CB 4.14Å; F50-L160 PolarHBondContact N-O 3.42Å; F50-L160 VanDerWaalsContact N-O 3.16Å; L160-Q163 HydrophobicContact CD2-CB 4.44Å; L160-I165 WeakPolarHBondContact CA-O 3.39Å; L160-L166 HydrophobicContact CD1-CB 4.46Å; L160-L179 HydrophobicContact CD1-CD1 4.1Å; L160-L179 HydrophobicContact CD2-CD1 3.83Å; L160-L237 HydrophobicContact CD1-CD2 3.71Å
161V98.6Very high98.5Very high0 Ų013.2 Ų13.20%06%0.058CC..EExtended strand (participates in β ladder)trans-97.6131.3179.6-174.20000109.4F50 V54 L83 Q163 R164 I165F50-V161 HydrophobicContact CE1-CG2 4.25Å; F50-V161 HydrophobicContact CE2-CG1 4.28Å; F50-V161 HydrophobicContact CE2-CG2 3.84Å; F50-V161 HydrophobicContact CZ-CG2 3.65Å; F50-V161 VanDerWaalsContact O-CA 3.29Å; F50-V161 WeakPolarHBondContact O-CA 3.33Å; V54-V161 HydrophobicContact CG1-CG1 3.86Å; V54-V161 HydrophobicContact CG1-CG2 4.28Å; L83-V161 HydrophobicContact CD2-CG2 4.27Å; V161-Q163 PolarHBondContact O-N 2.89Å; V161-Q163 VanDerWaalsContact O-N 3.09Å; V161-R164 PolarHBondContact O-N 2.93Å; V161-I165 HydrophobicContact CB-CB 4.15Å; V161-I165 PolarHBondContact N-O 2.75Å; V161-I165 PolarHBondContact O-N 3.38Å
162N97.7Very high98.4Very high36 Ų3613.2 Ų13.219%0.1936%0.058CC..THydrogen-bonded Turntrans54.126.6-179.5-64.5-25.2000113.9F50 N51 G52 R164F50-N162 PolarHBondContact O-N 2.79Å; N51-N162 WeakPolarHBondContact CA-OD1 3.38Å; N51-N162 WeakPolarHBondContact CB-OD1 3.14Å; G52-N162 PolarHBondContact N-OD1 3.18Å; N162-R164 VanDerWaalsContact O-CG 3.3Å; N162-R164 WeakPolarHBondContact O-CG 3.49Å; N162-R164 PolarHBondContact O-N 2.75Å
163Q97.7Very high98.4Very high91 Ų9113.4 Ų13.443%0.4256%0.059SC..THydrogen-bonded Turntrans55.99.9-172-53.4-53.186.800115.6E49 L160 V161E49-Q163 PolarHBondContact OE2-NE2 3.49Å; L160-Q163 HydrophobicContact CD2-CB 4.44Å; V161-Q163 PolarHBondContact O-N 2.89Å; V161-Q163 VanDerWaalsContact O-N 3.09Å
164R98Very high98.4Very high91 Ų9115.6 Ų15.634%0.3437%0.074SC..THydrogen-bonded Turntrans-132.6-17.9-167.7-69.4-68.9-178.1172.9-17.8114.3V161 N162 D236 L237 D238 L239V161-R164 PolarHBondContact O-N 2.93Å; N162-R164 VanDerWaalsContact O-CG 3.3Å; N162-R164 WeakPolarHBondContact O-CG 3.49Å; N162-R164 PolarHBondContact O-N 2.75Å; R164-D236 WeakPolarHBondContact CD-O 3.28Å; R164-D236 IonicContact CZ-OD1 3.79Å; R164-D236 IonicContact CZ-OD2 2.7Å; R164-D236 PolarHBondContact NH1-O 2.99Å; R164-D236 IonicContact NH1-OD1 3.56Å; R164-D236 PolarHBondContact NH1-OD1 3.27Å; R164-D236 IonicContact NH1-OD2 3.69Å; R164-D236 PolarHBondContact NH1-OD2 2.98Å; R164-D236 VanDerWaalsContact NH1-OD2 3.15Å; R164-D236 IonicContact NH2-OD1 2.76Å; R164-D236 IonicContact NH2-OD2 3.64Å; R164-D236 PolarHBondContact NH2-OD2 2.81Å; R164-L237 WeakPolarHBondContact O-CA 3.33Å; R164-D238 HydrophobicContact CB-CB 4.44Å; R164-D238 WeakPolarHBondContact CB-OD2 3.39Å; R164-D238 WeakPolarHBondContact CD-OD2 3.36Å; R164-D238 PolarHBondContact O-N 2.92Å; R164-L239 PolarHBondContact O-N 3.47Å
165I98.6Very high98.3Very high5 Ų514.9 Ų14.93%0.0268%0.077CC..EExtended strand (participates in β ladder)trans-117.7107.5-177.9-52.5176.1000109.3L160 V161 L239 V241 V281L160-I165 WeakPolarHBondContact CA-O 3.39Å; V161-I165 HydrophobicContact CB-CB 4.15Å; V161-I165 PolarHBondContact N-O 2.75Å; V161-I165 PolarHBondContact O-N 3.38Å; I165-L239 VanDerWaalsContact CA-O 3.3Å; I165-L239 WeakPolarHBondContact CA-O 3.4Å; I165-L239 HydrophobicContact CG1-CB 4.34Å; I165-L239 HydrophobicContact CG2-CB 4.24Å; I165-L239 HydrophobicContact CG2-CD2 4.29Å; I165-L239 HydrophobicContact CG2-CG 4.37Å; I165-V241 HydrophobicContact CG2-CG2 3.5Å; I165-V281 HydrophobicContact CD1-CG1 3.84Å; I165-V281 HydrophobicContact CD1-CG2 4.03Å
166L98.8Very high98.2Very high0 Ų015 Ų150%08%0.077CC..EExtended strand (participates in β ladder)trans-86.9128.7177.2-179.662.3000110.1L47 A158 L160 M168 L176 L179 I182 L235 L237 L239 I240 V241L47-L166 HydrophobicContact CD1-CD1 4.24Å; A158-L166 HydrophobicContact CB-CD1 4.4Å; L160-L166 HydrophobicContact CD1-CB 4.46Å; L166-M168 HydrophobicContact CD1-CE 4.43Å; L166-M168 HydrophobicContact CD2-CE 3.61Å; L166-M168 HydrophobicContact CG-CE 3.73Å; L166-M168 HydrophobicContact CG-SD 4.48Å; L166-L176 HydrophobicContact CD2-CD2 4.38Å; L166-L179 HydrophobicContact CD1-CD2 4.04Å; L166-L179 HydrophobicContact CD2-CD2 4.15Å; L166-I182 HydrophobicContact CD1-CD1 4.49Å; L166-L235 HydrophobicContact CD2-CD1 4.49Å; L166-L237 HydrophobicContact CB-CD1 3.59Å; L166-L237 HydrophobicContact CB-CD2 4.06Å; L166-L237 HydrophobicContact CB-CG 4.46Å; L166-L237 HydrophobicContact CD2-CD1 3.87Å; L166-L237 HydrophobicContact CG-CD1 4.39Å; L166-L239 PolarHBondContact N-O 3.18Å; L166-I240 HydrophobicContact CB-CG1 4.41Å; L166-I240 CarbonylContact O-C 3.49Å; L166-I240 VanDerWaalsContact O-CA 3.29Å; L166-I240 WeakPolarHBondContact O-CA 3.44Å; L166-V241 PolarHBondContact O-N 2.9Å
167C98.9Very high98.2Very high0 Ų019.4 Ų19.40%010%0.101CC..EExtended strand (participates in β ladder)trans-123.7134.1-176.3-54.60000110.9L83 L85 L116 A158 A159 V241L83-C167 HydrophobicContact CD2-CB 3.64Å; L85-C167 HydrophobicContact CD2-CB 3.82Å; L116-C167 HydrophobicContact CD1-CB 4.48Å; A158-C167 CarbonylContact C-O 3.58Å; A158-C167 WeakPolarHBondContact CA-O 3.34Å; A158-C167 VanDerWaalsContact CB-O 3.31Å; A158-C167 WeakPolarHBondContact CB-O 3.39Å; A159-C167 HydrophobicContact CB-CB 4.28Å; A159-C167 PolarHBondContact N-O 2.75Å; A159-C167 PolarHBondContact O-N 3.23Å; C167-V241 VanDerWaalsContact CA-O 3.25Å; C167-V241 WeakPolarHBondContact CA-O 3.38Å
168M98.8Very high98.1Very high0 Ų022.7 Ų22.70%012%0.119CC..EExtended strand (participates in β ladder)trans-150.6177.7172.964.4-83.9-74.800110.7A158 L166 L172 L200 I240 V241 R242A158-M168 HydrophobicContact CB-CB 4.49Å; L166-M168 HydrophobicContact CD1-CE 4.43Å; L166-M168 HydrophobicContact CD2-CE 3.61Å; L166-M168 HydrophobicContact CG-CE 3.73Å; L166-M168 HydrophobicContact CG-SD 4.48Å; M168-L172 HydrophobicContact CE-CD2 4.2Å; M168-L200 HydrophobicContact CB-CD2 4.27Å; M168-L200 HydrophobicContact CE-CD2 3.59Å; M168-L200 HydrophobicContact CG-CD2 4.33Å; M168-I240 HydrophobicContact SD-CG2 3.91Å; M168-V241 PolarHBondContact N-O 2.89Å; M168-V241 VanDerWaalsContact N-O 3.15Å; M168-R242 WeakPolarHBondContact O-CA 3.5Å
169H98.8Very high98.1Very high0 Ų023.7 Ų23.70%012%0.124CC..SBendtrans-78.3-63.9174.5-173.563000111.9D59 L85 D87 R117 G118 N119 L201 R242 A243 H244D59-H169 IonicContact OD2-CE1 3.58Å; D59-H169 PolarHBondContact OD2-CE1 3.04Å; D59-H169 VanDerWaalsContact OD2-CE1 3.3Å; L85-H169 WeakPolarHBondContact O-CA 3.4Å; L85-H169 WeakPolarHBondContact O-CB 3.13Å; L85-H169 PolarHBondContact O-ND1 3.18Å; D87-H169 IonicContact OD1-CE1 3.22Å; D87-H169 IonicContact OD1-NE2 3.42Å; D87-H169 PolarHBondContact OD1-NE2 3.45Å; D87-H169 IonicContact OD2-CE1 2.78Å; D87-H169 PolarHBondContact OD2-CE1 3.01Å; D87-H169 IonicContact OD2-NE2 3.53Å; D87-H169 PolarHBondContact OD2-NE2 3.44Å; R117-H169 WeakPolarHBondContact O-CB 3.3Å; G118-H169 VanDerWaalsContact CA-CG 3.48Å; N119-H169 PolarHBondContact OD1-CD2 3.15Å; N119-H169 PolarHBondContact OD1-NE2 3.01Å; H169-L201 HydrophobicContact CB-CD2 4.44Å; H169-L201 PolarHBondContact CD2-O 3.26Å; H169-R242 PolarHBondContact O-NE 3.28Å; H169-R242 PolarHBondContact O-NH2 3Å; H169-A243 CarbonylContact O-C 3.46Å; H169-A243 PolarHBondContact O-N 3.28Å; H169-H244 AromaticContact CD2-CG 3.98Å; H169-H244 AromaticContact CD2-ND1 3.55Å; H169-H244 WeakPolarHBondContact NE2-CB 3.18Å; H169-H244 AromaticContact NE2-CG 3.57Å; H169-H244 AromaticContact NE2-ND1 2.99Å; H169-H244 PolarHBondContact NE2-ND1 3.47Å
170G98.4Very high98.1Very high0 Ų027.9 Ų27.90%015%0.146CC..SBendtrans-71-118.8178.700000111L200 L201 A203 R242G170-L200 WeakPolarHBondContact CA-O 3.35Å; G170-L200 PolarHBondContact N-O 3.1Å; G170-L201 VanDerWaalsContact CA-C 3.43Å; G170-A203 CarbonylContact C-O 3.47Å; G170-R242 WeakPolarHBondContact O-CB 3.28Å; G170-R242 PolarHBondContact O-NE 2.85Å; G170-R242 PolarHBondContact O-NH2 3.49Å
171G97.8Very high98Very high0 Ų030.4 Ų30.40%016%0.158CC..  trans-152.3-150.2-178.100000112.8D199G171-D199 PolarHBondContact N-O 3.33Å
172L98.3Very high98Very high1 Ų130.4 Ų30.41%0.00516%0.158CC..  trans-77.4159.8178.8-62.7-179.8000110.9M168 A203 W212 F223 V227 V228 T231 I240M168-L172 HydrophobicContact CE-CD2 4.2Å; L172-A203 VanDerWaalsContact O-CB 3.3Å; L172-A203 WeakPolarHBondContact O-CB 3.36Å; L172-W212 VanDerWaalsContact C-CH2 3.44Å; L172-W212 HydrophobicContact CB-CH2 3.67Å; L172-W212 HydrophobicContact CB-CZ3 4.43Å; L172-W212 WeakPolarHBondContact O-CH2 3.49Å; L172-W212 VanDerWaalsContact O-CZ3 3.31Å; L172-W212 WeakPolarHBondContact O-CZ3 3.46Å; L172-F223 HydrophobicContact CB-CD1 4.48Å; L172-F223 HydrophobicContact CB-CE1 4.37Å; L172-F223 HydrophobicContact CB-CE2 4.5Å; L172-F223 HydrophobicContact CB-CZ 4.37Å; L172-F223 HydrophobicContact CD1-CD2 4.39Å; L172-F223 HydrophobicContact CD1-CE2 4.22Å; L172-F223 HydrophobicContact CG-CE2 4.3Å; L172-F223 HydrophobicContact CG-CZ 4.34Å; L172-V227 HydrophobicContact CD1-CG1 4.06Å; L172-V228 HydrophobicContact CD1-CG2 4.15Å; L172-T231 HydrophobicContact CD1-CG2 3.93Å; L172-T231 HydrophobicContact CD2-CG2 3.86Å; L172-T231 HydrophobicContact CG-CG2 4.5Å; L172-I240 HydrophobicContact CD1-CD1 3.85Å; L172-I240 HydrophobicContact CD2-CD1 3.77Å; L172-I240 HydrophobicContact CG-CD1 4.16Å
173S97.9Very high98Very high3 Ų332.2 Ų32.22%0.02116%0.162CC..  trans-121141.1174.1-178.30000111.1A175 L176 D199 W212S173-A175 PolarHBondContact O-N 2.97Å; S173-A175 WeakPolarHBondContact OG-CB 3.3Å; S173-A175 PolarHBondContact OG-N 3.01Å; S173-L176 WeakPolarHBondContact O-CB 3.29Å; S173-L176 PolarHBondContact O-N 2.68Å; S173-D199 VanDerWaalsContact CB-OD2 3.29Å; S173-D199 WeakPolarHBondContact CB-OD2 3.39Å; S173-D199 PolarHBondContact OG-OD2 3.4Å; S173-W212 VanDerWaalsContact C-CZ2 3.45Å
174P97.1Very high98Very high55 Ų5532.8 Ų32.836%0.35717%0.172SC..THydrogen-bonded Turntrans-61.3-22.116726.4-34.9000112.4L176 D199 W212 Y221P174-L176 VanDerWaalsContact C-N 3.31Å; P174-D199 WeakPolarHBondContact CD-OD2 3.26Å; P174-W212 HydrophobicContact CB-CD2 4.05Å; P174-W212 HydrophobicContact CB-CG 4.35Å; P174-W212 HydrophobicContact CB-CZ2 4.09Å; P174-W212 HydrophobicContact CG-CD2 4.31Å; P174-W212 HydrophobicContact CG-CE3 4.44Å; P174-W212 VanDerWaalsContact N-CH2 3.32Å; P174-W212 VanDerWaalsContact N-CZ2 3.28Å; P174-Y221 HydrophobicContact CG-CD2 4.09Å; P174-Y221 HydrophobicContact CG-CE2 3.9Å
175A96.8Very high97.9Very high28 Ų2829.7 Ų29.723%0.23116%0.162CC..THydrogen-bonded Turntrans-80.1-10.6175.800000113.4S173 N177 Q181 L196S173-A175 PolarHBondContact O-N 2.97Å; S173-A175 WeakPolarHBondContact OG-CB 3.3Å; S173-A175 PolarHBondContact OG-N 3.01Å; A175-N177 PolarHBondContact O-N 2.95Å; A175-N177 PolarHBondContact O-ND2 2.98Å; A175-Q181 PolarHBondContact O-NE2 2.91Å; A175-Q181 PolarHBondContact O-OE1 3.21Å; A175-L196 HydrophobicContact CB-CB 4.31Å
176L97.6Very high97.7Very high2 Ų238.4 Ų38.41%0.0120%0.2CC..  trans-83.9107.9-178.5-174.565.2000111.4L166 S173 P174 N178 I182 L196 K234 L235L166-L176 HydrophobicContact CD2-CD2 4.38Å; S173-L176 WeakPolarHBondContact O-CB 3.29Å; S173-L176 PolarHBondContact O-N 2.68Å; P174-L176 VanDerWaalsContact C-N 3.31Å; L176-N178 WeakPolarHBondContact CD1-O 3.48Å; L176-I182 HydrophobicContact CD1-CD1 3.87Å; L176-I182 HydrophobicContact CD1-CG1 3.79Å; L176-I182 HydrophobicContact CD2-CD1 4.33Å; L176-L196 HydrophobicContact CB-CD1 3.96Å; L176-L196 HydrophobicContact CD1-CD1 4.09Å; L176-K234 PolarHBondContact O-NZ 3.07Å; L176-L235 HydrophobicContact CD2-CD1 3.93Å; L176-L235 HydrophobicContact CG-CD1 4.2Å
177N97.3Very high97.6Very high93 Ų9340.4 Ų40.450%0.49721%0.207SC..SBendtrans-112.2-32.3178.9-66.9-58.8000113A175 L235A175-N177 PolarHBondContact O-N 2.95Å; A175-N177 PolarHBondContact O-ND2 2.98Å; N177-L235 WeakPolarHBondContact O-CD2 3.41Å
178N97.8Very high97.5Very high70 Ų7043.4 Ų43.437%0.37423%0.227SC..SBendtrans-148.3160.7174.86469.1000110.7L176 D180 Q181L176-N178 WeakPolarHBondContact CD1-O 3.48Å; N178-D180 VanDerWaalsContact C-N 3.28Å; N178-D180 PolarHBondContact O-N 2.95Å; N178-D180 WeakPolarHBondContact OD1-CA 3.43Å; N178-D180 VanDerWaalsContact OD1-CB 3.32Å; N178-D180 WeakPolarHBondContact OD1-CB 3.48Å; N178-D180 PolarHBondContact OD1-N 3.46Å; N178-Q181 WeakPolarHBondContact O-CB 3.41Å; N178-Q181 PolarHBondContact O-N 2.74Å; N178-Q181 PolarHBondContact O-OE1 3.19Å; N178-Q181 PolarHBondContact OD1-N 3.42Å; N178-Q181 VanDerWaalsContact OD1-N 3.1Å
179L98.4Very high97.2Very high20 Ų2044.1 Ų44.111%0.10523%0.23CC..THydrogen-bonded Turntrans-71.5-20.2-177.9-64.6177.2000113.5L47 L160 L166 Q181 I182 R183 L235L47-L179 HydrophobicContact CD2-CB 4.19Å; L160-L179 HydrophobicContact CD1-CD1 4.1Å; L160-L179 HydrophobicContact CD2-CD1 3.83Å; L166-L179 HydrophobicContact CD1-CD2 4.04Å; L166-L179 HydrophobicContact CD2-CD2 4.15Å; L179-Q181 PolarHBondContact O-N 3.46Å; L179-I182 HydrophobicContact CD2-CD1 4.42Å; L179-I182 PolarHBondContact O-N 3.23Å; L179-R183 PolarHBondContact O-N 2.86Å; L179-R183 VanDerWaalsContact O-N 3.15Å; L179-L235 HydrophobicContact CD2-CD1 4.05Å
180D98.2Very high96.7Very high88 Ų8852 Ų5247%0.47126%0.264SS..Hα-helixtrans-65.5-27.6177.1-63.2-38.5000112.2N178 I182 R183 T184N178-D180 VanDerWaalsContact C-N 3.28Å; N178-D180 PolarHBondContact O-N 2.95Å; N178-D180 WeakPolarHBondContact OD1-CA 3.43Å; N178-D180 VanDerWaalsContact OD1-CB 3.32Å; N178-D180 WeakPolarHBondContact OD1-CB 3.48Å; N178-D180 PolarHBondContact OD1-N 3.46Å; D180-I182 PolarHBondContact O-N 3.14Å; D180-R183 PolarHBondContact O-N 2.85Å; D180-R183 WeakPolarHBondContact OD1-CD 3.41Å; D180-R183 IonicContact OD1-CZ 3.85Å; D180-R183 IonicContact OD1-NE 3.48Å; D180-R183 IonicContact OD1-NH1 3.58Å; D180-R183 PolarHBondContact OD1-NH1 3.27Å; D180-T184 WeakPolarHBondContact O-CB 3.48Å; D180-T184 WeakPolarHBondContact O-CG2 3.39Å; D180-T184 PolarHBondContact O-N 3.36Å; D180-T184 PolarHBondContact O-OG1 2.7Å
181Q97.8Very high96Very high55 Ų5555.6 Ų55.626%0.25728%0.282SS..Hα-helixtrans-58.5-33.7171.4-67.7175-7700112A175 N178 L179 T184 I185 L196A175-Q181 PolarHBondContact O-NE2 2.91Å; A175-Q181 PolarHBondContact O-OE1 3.21Å; N178-Q181 WeakPolarHBondContact O-CB 3.41Å; N178-Q181 PolarHBondContact O-N 2.74Å; N178-Q181 PolarHBondContact O-OE1 3.19Å; N178-Q181 PolarHBondContact OD1-N 3.42Å; N178-Q181 VanDerWaalsContact OD1-N 3.1Å; L179-Q181 PolarHBondContact O-N 3.46Å; Q181-T184 PolarHBondContact O-OG1 2.88Å; Q181-I185 WeakPolarHBondContact O-CG1 3.37Å; Q181-L196 HydrophobicContact CB-CD2 3.81Å
182I98.2Very high94.9Very high0 Ų057 Ų570%029%0.292CS..Hα-helixtrans-80-42.4175.4-50.3-179.6000110.5A46 L47 A158 L166 L176 L179 D180 T184 I185 L200A46-I182 WeakPolarHBondContact CB-O 3.43Å; L47-I182 HydrophobicContact CB-CB 4.27Å; L47-I182 HydrophobicContact CB-CG2 3.9Å; L47-I182 HydrophobicContact CD1-CG2 4.34Å; A158-I182 HydrophobicContact CB-CD1 4.33Å; A158-I182 HydrophobicContact CB-CG2 3.95Å; L166-I182 HydrophobicContact CD1-CD1 4.49Å; L176-I182 HydrophobicContact CD1-CD1 3.87Å; L176-I182 HydrophobicContact CD1-CG1 3.79Å; L176-I182 HydrophobicContact CD2-CD1 4.33Å; L179-I182 HydrophobicContact CD2-CD1 4.42Å; L179-I182 PolarHBondContact O-N 3.23Å; D180-I182 PolarHBondContact O-N 3.14Å; I182-T184 PolarHBondContact O-N 3.06Å; I182-I185 HydrophobicContact CB-CD1 4.38Å; I182-I185 HydrophobicContact CG2-CD1 4.01Å; I182-I185 WeakPolarHBondContact O-CG1 3.46Å; I182-I185 PolarHBondContact O-N 3.28Å; I182-L200 HydrophobicContact CD1-CD1 4.29Å; I182-L200 HydrophobicContact CD1-CD2 4.19Å; I182-L200 HydrophobicContact CG1-CD1 4.29Å; I182-L200 HydrophobicContact CG2-CD1 4.28Å
183R97.8Very high93.6Very high75 Ų7566 Ų6628%0.28333%0.327SS..Hα-helixtrans-55.3-35.3178.5-66.7-177.9-179.81043.8112.6L47 E49 L179 D180L47-R183 HydrophobicContact CB-CG 3.97Å; L47-R183 HydrophobicContact CD2-CG 3.73Å; L47-R183 HydrophobicContact CG-CG 4.45Å; E49-R183 VanDerWaalsContact CD-NH2 3.33Å; E49-R183 IonicContact OE1-CZ 3.17Å; E49-R183 IonicContact OE1-NE 3.96Å; E49-R183 PolarHBondContact OE1-NE 3.25Å; E49-R183 IonicContact OE1-NH2 3.15Å; E49-R183 PolarHBondContact OE1-NH2 2.8Å; E49-R183 IonicContact OE2-CZ 2.78Å; E49-R183 IonicContact OE2-NE 3.77Å; E49-R183 IonicContact OE2-NH2 3.56Å; E49-R183 PolarHBondContact OE2-NH2 2.94Å; L179-R183 PolarHBondContact O-N 2.86Å; L179-R183 VanDerWaalsContact O-N 3.15Å; D180-R183 PolarHBondContact O-N 2.85Å; D180-R183 WeakPolarHBondContact OD1-CD 3.41Å; D180-R183 IonicContact OD1-CZ 3.85Å; D180-R183 IonicContact OD1-NE 3.48Å; D180-R183 IonicContact OD1-NH1 3.58Å; D180-R183 PolarHBondContact OD1-NH1 3.27Å
184T96.2Very high93.1Very high103 Ų10369.4 Ų69.463%0.63235%0.346SS*.THydrogen-bonded Turntrans-89.3-0.7-17554.80000114.6D180 Q181 I182 K186D180-T184 WeakPolarHBondContact O-CB 3.48Å; D180-T184 WeakPolarHBondContact O-CG2 3.39Å; D180-T184 PolarHBondContact O-N 3.36Å; D180-T184 PolarHBondContact O-OG1 2.7Å; Q181-T184 PolarHBondContact O-OG1 2.88Å; I182-T184 PolarHBondContact O-N 3.06Å; T184-K186 PolarHBondContact O-N 3.29Å
185I96.3Very high92.7Very high26 Ų2669.9 Ų69.913%0.13335%0.35CS..  trans-61.8123.7175.2-63167.9000109.8A46 L157 Q181 I182 L196 T197 L200A46-I185 HydrophobicContact CB-CB 3.79Å; A46-I185 HydrophobicContact CB-CG2 4.38Å; L157-I185 HydrophobicContact CD1-CB 4.5Å; L157-I185 HydrophobicContact CD1-CD1 3.75Å; L157-I185 HydrophobicContact CD1-CG2 3.81Å; Q181-I185 WeakPolarHBondContact O-CG1 3.37Å; I182-I185 HydrophobicContact CB-CD1 4.38Å; I182-I185 HydrophobicContact CG2-CD1 4.01Å; I182-I185 WeakPolarHBondContact O-CG1 3.46Å; I182-I185 PolarHBondContact O-N 3.28Å; I185-L196 HydrophobicContact CD1-CD2 4.28Å; I185-T197 HydrophobicContact CD1-CG2 3.93Å; I185-T197 HydrophobicContact CG1-CG2 4.34Å; I185-T197 HydrophobicContact CG2-CG2 3.9Å; I185-L200 HydrophobicContact CD1-CD1 4.15Å
186K95.3Very high92.7Very high188 Ų18869.1 Ų69.182%0.81734%0.342SS*.  trans-72.7134.1-179.8-66.9-177179.4177.60111T184T184-K186 PolarHBondContact O-N 3.29Å
187R96.1Very high92.7Very high41 Ų4169 Ų6916%0.15534%0.341CS..SBendtrans-122.4144.9169-73-179.7-63.8112.526.8109.6L41 Q44 A45 W154 L155L41-R187 PolarHBondContact O-NH1 2.87Å; Q44-R187 PolarHBondContact O-NH2 3.29Å; A45-R187 VanDerWaalsContact C-NH2 3.28Å; W154-R187 HydrophobicContact CE3-CB 4.01Å; W154-R187 VanDerWaalsContact CZ3-C 3.5Å; W154-R187 HydrophobicContact CZ3-CB 4.34Å; W154-R187 VanDerWaalsContact CZ3-O 3.27Å; W154-R187 WeakPolarHBondContact CZ3-O 3.42Å; W154-R187 PolarHBondContact O-NH1 3.39Å; L155-R187 WeakPolarHBondContact O-CD 3.41Å
188P96.6Very high92.7Very high63 Ų6365.5 Ų65.541%0.40932%0.324SS..SBendcis-78.2143.910.929.2-24.5000112.6S153 W154S153-P188 CarbonylContact O-C 3.59Å; S153-P188 WeakPolarHBondContact O-CA 3.18Å; S153-P188 WeakPolarHBondContact OG-CB 3.23Å; W154-P188 HydrophobicContact CD2-CB 3.86Å; W154-P188 HydrophobicContact CD2-CG 4.37Å; W154-P188 HydrophobicContact CE3-CB 4.26Å; W154-P188 HydrophobicContact CG-CB 4.27Å; W154-P188 HydrophobicContact CH2-CB 4.46Å; W154-P188 HydrophobicContact CH2-CG 4Å; W154-P188 HydrophobicContact CZ2-CB 4.04Å; W154-P188 HydrophobicContact CZ2-CG 3.63Å; W154-P188 HydrophobicContact CZ3-CG 4.46Å
189M92.3Very high92.7Very high16 Ų1662.3 Ų62.38%0.07931%0.307CS..  trans-106.9114.4177.2-177.9175.858.200109.5R117 F122 S153 L157 M191 T197R117-M189 PolarHBondContact NH1-O 2.85Å; R117-M189 PolarHBondContact NH2-O 3.29Å; F122-M189 HydrophobicContact CE1-CE 4.06Å; F122-M189 HydrophobicContact CZ-CE 3.53Å; S153-M189 WeakPolarHBondContact CB-O 3.49Å; S153-M189 PolarHBondContact O-N 3.11Å; L157-M189 HydrophobicContact CD1-CE 3.74Å; L157-M189 HydrophobicContact CD1-SD 4.42Å; L157-M189 HydrophobicContact CD2-CE 3.59Å; L157-M189 HydrophobicContact CG-CE 4.12Å; M189-M191 WeakPolarHBondContact CG-O 3.46Å; M189-T197 HydrophobicContact CE-CG2 4.48Å; M189-T197 HydrophobicContact SD-CG2 3.68Å
190K89.2Confident92.7Very high164 Ų16461.3 Ų61.371%0.71330%0.302SS*.SBendtrans-81.1-35.3179.5-68.5-174.3178.4-179.30112.7
191M82.9Confident92.6Very high76 Ų7657.1 Ų57.137%0.37428%0.279SS..SBendtrans-142.1150.1-179.7-67.4177.863.800109.3M189 Y193M189-M191 WeakPolarHBondContact CG-O 3.46Å; M191-Y193 HydrophobicContact CB-CD1 4.4Å; M191-Y193 HydrophobicContact CB-CD2 3.99Å; M191-Y193 HydrophobicContact CB-CE1 4.06Å; M191-Y193 HydrophobicContact CB-CE2 3.61Å; M191-Y193 HydrophobicContact CB-CG 4.39Å; M191-Y193 HydrophobicContact CE-CD1 4.41Å; M191-Y193 HydrophobicContact CE-CE1 3.48Å; M191-Y193 VanDerWaalsContact CE-CE1 3.48Å; M191-Y193 HydrophobicContact CG-CE2 4.37Å; M191-Y193 PolarHBondContact O-N 2.95Å; M191-Y193 HydrophobicContact SD-CE1 3.93Å; M191-Y193 HydrophobicContact SD-CE2 4.24Å; M191-Y193 PolarHBondContact SD-OH 3.48Å
192S74.9Confident92.6Very high31 Ų3156.2 Ų56.222%0.21727%0.274CS..  trans-8990.4172.460.90000109.3
193Y71.2Confident92.6Very high188 Ų18856.2 Ų56.274%0.73727%0.274SS*.  trans-90.8-29.8-178.2-68.6-64.2000113.5M191M191-Y193 HydrophobicContact CB-CD1 4.4Å; M191-Y193 HydrophobicContact CB-CD2 3.99Å; M191-Y193 HydrophobicContact CB-CE1 4.06Å; M191-Y193 HydrophobicContact CB-CE2 3.61Å; M191-Y193 HydrophobicContact CB-CG 4.39Å; M191-Y193 HydrophobicContact CE-CD1 4.41Å; M191-Y193 HydrophobicContact CE-CE1 3.48Å; M191-Y193 VanDerWaalsContact CE-CE1 3.48Å; M191-Y193 HydrophobicContact CG-CE2 4.37Å; M191-Y193 PolarHBondContact O-N 2.95Å; M191-Y193 HydrophobicContact SD-CE1 3.93Å; M191-Y193 HydrophobicContact SD-CE2 4.24Å; M191-Y193 PolarHBondContact SD-OH 3.48Å
194D87Confident92.6Very high76 Ų7652.9 Ų52.941%0.40626%0.261SS..SBendtrans-89.8156.3-178.468.690.1000111.6L196 T197 C198D194-L196 VanDerWaalsContact C-N 3.34Å; D194-L196 PolarHBondContact O-N 3.03Å; D194-L196 WeakPolarHBondContact OD1-CB 3.5Å; D194-L196 PolarHBondContact OD1-N 2.96Å; D194-T197 PolarHBondContact O-OG1 2.92Å; D194-T197 PolarHBondContact OD1-N 2.7Å; D194-T197 PolarHBondContact OD1-OG1 3.49Å; D194-T197 WeakPolarHBondContact OD2-CG2 3.35Å; D194-T197 PolarHBondContact OD2-OG1 3.1Å; D194-C198 WeakPolarHBondContact O-CB 3.26Å; D194-C198 PolarHBondContact O-N 2.65Å; D194-C198 VanDerWaalsContact O-N 3.1Å
195S89.9Confident92.7Very high64 Ų6448.5 Ų48.545%0.44824%0.235SC..Hα-helixtrans-58.9-44.8-178.250.60000111.9T197 C198 D199S195-T197 PolarHBondContact O-N 2.76Å; S195-C198 PolarHBondContact O-N 2.65Å; S195-D199 WeakPolarHBondContact O-CB 3.07Å; S195-D199 PolarHBondContact O-N 3.41Å
196L96.4Very high92.8Very high12 Ų1248.2 Ų48.26%0.06324%0.235CC..Hα-helixtrans-61.3-50.7-177.3176.660.4000111.9A175 L176 Q181 I185 D194 C198 D199 L200A175-L196 HydrophobicContact CB-CB 4.31Å; L176-L196 HydrophobicContact CB-CD1 3.96Å; L176-L196 HydrophobicContact CD1-CD1 4.09Å; Q181-L196 HydrophobicContact CB-CD2 3.81Å; I185-L196 HydrophobicContact CD1-CD2 4.28Å; D194-L196 VanDerWaalsContact C-N 3.34Å; D194-L196 PolarHBondContact O-N 3.03Å; D194-L196 WeakPolarHBondContact OD1-CB 3.5Å; D194-L196 PolarHBondContact OD1-N 2.96Å; L196-C198 VanDerWaalsContact C-N 3.34Å; L196-C198 PolarHBondContact O-N 3.48Å; L196-D199 PolarHBondContact O-N 3.06Å; L196-L200 HydrophobicContact CD1-CD1 4.13Å; L196-L200 HydrophobicContact CD1-CG 4.13Å; L196-L200 HydrophobicContact CG-CD1 4.21Å; L196-L200 VanDerWaalsContact O-CG 3.27Å; L196-L200 WeakPolarHBondContact O-CG 3.5Å; L196-L200 PolarHBondContact O-N 2.58Å
197T96.8Very high92.9Very high0 Ų045.4 Ų45.40%023%0.229CC..Hα-helixtrans-65.5-38.5-179.657.40000111.9L157 I185 M189 D194 S195 L201L157-T197 HydrophobicContact CD1-CG2 3.86Å; I185-T197 HydrophobicContact CD1-CG2 3.93Å; I185-T197 HydrophobicContact CG1-CG2 4.34Å; I185-T197 HydrophobicContact CG2-CG2 3.9Å; M189-T197 HydrophobicContact CE-CG2 4.48Å; M189-T197 HydrophobicContact SD-CG2 3.68Å; D194-T197 PolarHBondContact O-OG1 2.92Å; D194-T197 PolarHBondContact OD1-N 2.7Å; D194-T197 PolarHBondContact OD1-OG1 3.49Å; D194-T197 WeakPolarHBondContact OD2-CG2 3.35Å; D194-T197 PolarHBondContact OD2-OG1 3.1Å; S195-T197 PolarHBondContact O-N 2.76Å; T197-L201 VanDerWaalsContact O-CD1 3.29Å; T197-L201 WeakPolarHBondContact O-CD1 3.35Å; T197-L201 VanDerWaalsContact O-CG 3.3Å; T197-L201 WeakPolarHBondContact O-CG 3.15Å
198C96.7Very high92.9Very high20 Ų2052 Ų5214%0.13526%0.262CS..Hα-helixtrans-61.9-47.3175.8-164.80000111.3D194 S195 L196 L200 L201 W202 A219D194-C198 WeakPolarHBondContact O-CB 3.26Å; D194-C198 PolarHBondContact O-N 2.65Å; D194-C198 VanDerWaalsContact O-N 3.1Å; S195-C198 PolarHBondContact O-N 2.65Å; L196-C198 VanDerWaalsContact C-N 3.34Å; L196-C198 PolarHBondContact O-N 3.48Å; C198-L200 PolarHBondContact O-N 3.39Å; C198-L201 CarbonylContact O-C 3.49Å; C198-L201 WeakPolarHBondContact O-CB 3.18Å; C198-L201 PolarHBondContact O-N 2.82Å; C198-W202 WeakPolarHBondContact O-CB 3.49Å; C198-W202 PolarHBondContact O-N 2.98Å; C198-A219 PolarHBondContact SG-O 2.97Å
199D97.9Very high92.8Very high2 Ų249.5 Ų49.51%0.01125%0.245CC..Hα-helixtrans-68.3-37.9-175.6-62-28000113.1G171 S173 P174 S195 L196 L201 W202 A203 S220 Y221G171-D199 PolarHBondContact N-O 3.33Å; S173-D199 VanDerWaalsContact CB-OD2 3.29Å; S173-D199 WeakPolarHBondContact CB-OD2 3.39Å; S173-D199 PolarHBondContact OG-OD2 3.4Å; P174-D199 WeakPolarHBondContact CD-OD2 3.26Å; S195-D199 WeakPolarHBondContact O-CB 3.07Å; S195-D199 PolarHBondContact O-N 3.41Å; L196-D199 PolarHBondContact O-N 3.06Å; D199-L201 PolarHBondContact O-N 3.4Å; D199-W202 PolarHBondContact O-N 3.03Å; D199-A203 HydrophobicContact CB-CB 4.25Å; D199-A203 WeakPolarHBondContact O-CB 3.18Å; D199-A203 PolarHBondContact O-N 2.99Å; D199-S220 WeakPolarHBondContact CA-OG 3.34Å; D199-S220 WeakPolarHBondContact OD1-CB 3.44Å; D199-S220 PolarHBondContact OD1-OG 3.22Å; D199-Y221 WeakPolarHBondContact OD1-CD2 3.48Å
200L98.3Very high93.1Very high0 Ų054.7 Ų54.70%028%0.278CS..Hα-helixtrans-59-17.3172.3-71.5175.4000113.2L157 M168 G170 I182 I185 L196 C198L157-L200 HydrophobicContact CB-CD1 4.33Å; M168-L200 HydrophobicContact CB-CD2 4.27Å; M168-L200 HydrophobicContact CE-CD2 3.59Å; M168-L200 HydrophobicContact CG-CD2 4.33Å; G170-L200 WeakPolarHBondContact CA-O 3.35Å; G170-L200 PolarHBondContact N-O 3.1Å; I182-L200 HydrophobicContact CD1-CD1 4.29Å; I182-L200 HydrophobicContact CD1-CD2 4.19Å; I182-L200 HydrophobicContact CG1-CD1 4.29Å; I182-L200 HydrophobicContact CG2-CD1 4.28Å; I185-L200 HydrophobicContact CD1-CD1 4.15Å; L196-L200 HydrophobicContact CD1-CD1 4.13Å; L196-L200 HydrophobicContact CD1-CG 4.13Å; L196-L200 HydrophobicContact CG-CD1 4.21Å; L196-L200 VanDerWaalsContact O-CG 3.27Å; L196-L200 WeakPolarHBondContact O-CG 3.5Å; L196-L200 PolarHBondContact O-N 2.58Å; C198-L200 PolarHBondContact O-N 3.39Å
201L98Very high93.5Very high0 Ų047.7 Ų47.70%025%0.252CS..Hα-helixtrans-110.8-26.8-178.1-63168.4000113.4R117 N119 F122 L157 H169 G170 T197 C198 D199R117-L201 HydrophobicContact CB-CD2 4.49Å; R117-L201 WeakPolarHBondContact O-CD2 3.2Å; N119-L201 HydrophobicContact CB-CB 4.38Å; F122-L201 HydrophobicContact CD2-CD1 4.46Å; F122-L201 HydrophobicContact CE2-CD1 3.34Å; F122-L201 HydrophobicContact CE2-CD2 4.33Å; F122-L201 HydrophobicContact CE2-CG 4.46Å; F122-L201 HydrophobicContact CZ-CD1 3.41Å; F122-L201 VanDerWaalsContact CZ-CD1 3.41Å; L157-L201 HydrophobicContact CD2-CD1 4.17Å; L157-L201 HydrophobicContact CD2-CD2 3.88Å; L157-L201 HydrophobicContact CD2-CG 4.2Å; H169-L201 HydrophobicContact CB-CD2 4.44Å; H169-L201 PolarHBondContact CD2-O 3.26Å; G170-L201 VanDerWaalsContact CA-C 3.43Å; T197-L201 VanDerWaalsContact O-CD1 3.29Å; T197-L201 WeakPolarHBondContact O-CD1 3.35Å; T197-L201 VanDerWaalsContact O-CG 3.3Å; T197-L201 WeakPolarHBondContact O-CG 3.15Å; C198-L201 CarbonylContact O-C 3.49Å; C198-L201 WeakPolarHBondContact O-CB 3.18Å; C198-L201 PolarHBondContact O-N 2.82Å; D199-L201 PolarHBondContact O-N 3.4Å
202W97.6Very high94.2Very high35 Ų3548 Ų4813%0.13325%0.249CC..Hα-helixtrans-128.2-11-167.9-69.999.8000115.5N119 I125 C198 D199 N215 R217 A219 H244N119-W202 HydrophobicContact CB-CD2 3.96Å; N119-W202 HydrophobicContact CB-CE3 4.47Å; N119-W202 HydrophobicContact CB-CH2 4.08Å; N119-W202 HydrophobicContact CB-CZ2 3.47Å; N119-W202 VanDerWaalsContact CB-CZ2 3.47Å; N119-W202 WeakPolarHBondContact ND2-CH2 3.33Å; N119-W202 WeakPolarHBondContact ND2-CZ2 3.35Å; I125-W202 HydrophobicContact CD1-CH2 3.94Å; I125-W202 HydrophobicContact CD1-CZ2 3.66Å; I125-W202 HydrophobicContact CG1-CH2 4.49Å; I125-W202 HydrophobicContact CG1-CZ2 3.97Å; C198-W202 WeakPolarHBondContact O-CB 3.49Å; C198-W202 PolarHBondContact O-N 2.98Å; D199-W202 PolarHBondContact O-N 3.03Å; W202-N215 PolarHBondContact O-ND2 2.88Å; W202-R217 HydrophobicContact CE3-CB 4.37Å; W202-A219 HydrophobicContact CB-CB 4.12Å; W202-A219 HydrophobicContact CD2-CB 3.93Å; W202-A219 HydrophobicContact CE3-CB 4.19Å; W202-A219 HydrophobicContact CG-CB 3.93Å; W202-H244 AromaticContact CE3-CE1 3.81Å; W202-H244 AromaticContact CE3-NE2 3.99Å
203A97.9Very high95.3Very high0 Ų052.5 Ų52.50%027%0.265CS..  trans-69.9152.7-177.200000112.1G170 L172 D199 S220 Y221 F223 R242G170-A203 CarbonylContact C-O 3.47Å; L172-A203 VanDerWaalsContact O-CB 3.3Å; L172-A203 WeakPolarHBondContact O-CB 3.36Å; D199-A203 HydrophobicContact CB-CB 4.25Å; D199-A203 WeakPolarHBondContact O-CB 3.18Å; D199-A203 PolarHBondContact O-N 2.99Å; A203-S220 WeakPolarHBondContact CA-OG 3.22Å; A203-S220 WeakPolarHBondContact CB-OG 3.26Å; A203-S220 PolarHBondContact N-OG 3.43Å; A203-Y221 CarbonylContact C-O 3.56Å; A203-Y221 VanDerWaalsContact CA-O 3.22Å; A203-Y221 WeakPolarHBondContact CA-O 3.48Å; A203-Y221 WeakPolarHBondContact CB-O 3.02Å; A203-F223 HydrophobicContact CB-CD1 4.11Å; A203-F223 HydrophobicContact CB-CE1 3.86Å; A203-R242 PolarHBondContact O-NH2 3.36Å
204D98.2Very high96.5Very high5 Ų546.9 Ų46.93%0.02726%0.257CS..EExtended strand (participates in β ladder)trans-131.2129.2-175-66.6-65.8000112.3N215 R217 Y221 M222 F223 R242 H244 Q245D204-N215 PolarHBondContact OD2-ND2 3.33Å; D204-R217 IonicContact OD1-CZ 3.52Å; D204-R217 IonicContact OD1-NE 3.8Å; D204-R217 PolarHBondContact OD1-NE 3.36Å; D204-R217 IonicContact OD1-NH2 2.75Å; D204-R217 PolarHBondContact OD1-NH2 3.12Å; D204-R217 WeakPolarHBondContact OD2-CD 3.32Å; D204-R217 IonicContact OD2-CZ 3.62Å; D204-R217 IonicContact OD2-NE 3.85Å; D204-R217 PolarHBondContact OD2-NE 3.49Å; D204-R217 IonicContact OD2-NH2 2.69Å; D204-Y221 PolarHBondContact N-O 2.8Å; D204-M222 HydrophobicContact CB-CG 4.25Å; D204-M222 CarbonylContact O-C 3.56Å; D204-M222 WeakPolarHBondContact O-CA 3.35Å; D204-F223 VanDerWaalsContact C-CE1 3.47Å; D204-F223 WeakPolarHBondContact O-CD1 3.31Å; D204-F223 PolarHBondContact O-N 3.15Å; D204-R242 IonicContact OD1-NH1 3.58Å; D204-H244 IonicContact OD1-CD2 2.71Å; D204-Q245 WeakPolarHBondContact OD1-CG 3.48Å; D204-Q245 PolarHBondContact OD1-NE2 2.94Å
205P98.1Very high96.8Very high12 Ų1243.8 Ų43.88%0.07824%0.241CC..EExtended strand (participates in β ladder)trans-65.4145.4166.528.2-34.6000111F223 Q245 F254 L259P205-F223 WeakPolarHBondContact CA-O 3.11Å; P205-F223 HydrophobicContact CB-CD2 4.44Å; P205-F223 HydrophobicContact CB-CE2 3.8Å; P205-F223 HydrophobicContact CB-CZ 3.95Å; P205-F223 HydrophobicContact CG-CZ 4.37Å; P205-Q245 VanDerWaalsContact CD-OE1 3.27Å; P205-F254 HydrophobicContact CB-CD1 3.86Å; P205-F254 HydrophobicContact CB-CD2 4.31Å; P205-F254 HydrophobicContact CB-CE1 3.8Å; P205-F254 HydrophobicContact CB-CE2 4.25Å; P205-F254 HydrophobicContact CB-CG 4.11Å; P205-F254 HydrophobicContact CB-CZ 3.99Å; P205-L259 HydrophobicContact CB-CD2 4.42Å; P205-L259 HydrophobicContact CG-CD2 4.11Å
206S97.7Very high97Very high19 Ų1948.3 Ų48.313%0.13326%0.258CS..  trans-148.9135173.7178.60000112E208 F223S206-E208 PolarHBondContact O-N 3.41Å; S206-E208 PolarHBondContact OG-N 2.89Å; S206-E208 VanDerWaalsContact OG-N 3.15Å; S206-F223 PolarHBondContact N-O 3.03Å
207N96.7Very high96.8Very high129 Ų12952.4 Ų52.469%0.6927%0.273SS*.THydrogen-bonded Turntrans-74.7-12.7172.9-74.2-53.7000112.8V209 F254N207-V209 VanDerWaalsContact C-N 3.32Å; N207-F254 VanDerWaalsContact OD1-CE2 3.22Å; N207-F254 WeakPolarHBondContact OD1-CE2 3.44Å
208E96.1Very high96.6Very high181 Ų18156.1 Ų56.185%0.84631%0.311SS*.THydrogen-bonded Turntrans-91.63.6-176.7-57.8179.4177.600112.7S206S206-E208 PolarHBondContact O-N 3.41Å; S206-E208 PolarHBondContact OG-N 2.89Å; S206-E208 VanDerWaalsContact OG-N 3.15Å
209V95.6Very high96.3Very high10 Ų1057.1 Ų57.16%0.06132%0.321CS..  trans-125.4138.5-175.6177.60000109.4N207 K213 M222 G224N207-V209 VanDerWaalsContact C-N 3.32Å; V209-K213 HydrophobicContact CG1-CB 3.8Å; V209-K213 HydrophobicContact CG2-CB 4Å; V209-K213 HydrophobicContact CG2-CD 4.04Å; V209-M222 HydrophobicContact CG2-CB 4.07Å; V209-M222 HydrophobicContact CG2-CE 4.3Å; V209-G224 WeakPolarHBondContact O-CA 3.43Å
210T97.7Very high96.2Very high124 Ų12457.5 Ų57.576%0.76132%0.324SS*.SBendtrans-108.2133.4162.1-56.10000107.6
211G98Very high96Very high17 Ų1761.8 Ų61.818%0.17534%0.341CS..SBendtrans68.6-131.1-172.300000111.7F223 G224 D226 V227G211-F223 VanDerWaalsContact O-CA 3.31Å; G211-F223 WeakPolarHBondContact O-CA 3.4Å; G211-G224 PolarHBondContact O-N 3.26Å; G211-D226 WeakPolarHBondContact CA-OD2 3.23Å; G211-D226 PolarHBondContact N-OD1 3.29Å; G211-D226 VanDerWaalsContact N-OD1 3.09Å; G211-D226 PolarHBondContact N-OD2 3.49Å; G211-V227 VanDerWaalsContact O-CG2 3.26Å; G211-V227 WeakPolarHBondContact O-CG2 3.1Å
212W97.8Very high96Very high83 Ų8363.2 Ų63.231%0.31435%0.348SS..EExtended strand (participates in β ladder)trans-119.8140.3-174.6-58.692000111.5L172 S173 P174 Y221 M222 F223 V227L172-W212 VanDerWaalsContact C-CH2 3.44Å; L172-W212 HydrophobicContact CB-CH2 3.67Å; L172-W212 HydrophobicContact CB-CZ3 4.43Å; L172-W212 WeakPolarHBondContact O-CH2 3.49Å; L172-W212 VanDerWaalsContact O-CZ3 3.31Å; L172-W212 WeakPolarHBondContact O-CZ3 3.46Å; S173-W212 VanDerWaalsContact C-CZ2 3.45Å; P174-W212 HydrophobicContact CB-CD2 4.05Å; P174-W212 HydrophobicContact CB-CG 4.35Å; P174-W212 HydrophobicContact CB-CZ2 4.09Å; P174-W212 HydrophobicContact CG-CD2 4.31Å; P174-W212 HydrophobicContact CG-CE3 4.44Å; P174-W212 VanDerWaalsContact N-CH2 3.32Å; P174-W212 VanDerWaalsContact N-CZ2 3.28Å; W212-Y221 HydrophobicContact CB-CD1 4.34Å; W212-Y221 HydrophobicContact CE3-CG 4.19Å; W212-M222 WeakPolarHBondContact CA-O 3.22Å; W212-F223 HydrophobicContact CD2-CB 4.22Å; W212-F223 HydrophobicContact CE3-CB 3.63Å; W212-F223 HydrophobicContact CE3-CG 4.49Å; W212-F223 HydrophobicContact CH2-CB 4.13Å; W212-F223 HydrophobicContact CH2-CD1 4.49Å; W212-F223 HydrophobicContact CH2-CG 4.42Å; W212-F223 HydrophobicContact CZ3-CB 3.58Å; W212-F223 AromaticContact CZ3-CD1 3.85Å; W212-F223 HydrophobicContact CZ3-CD1 3.85Å; W212-F223 AromaticContact CZ3-CG 3.99Å; W212-F223 HydrophobicContact CZ3-CG 3.99Å; W212-V227 HydrophobicContact CD2-CG1 4.48Å; W212-V227 HydrophobicContact CD2-CG2 4.42Å; W212-V227 HydrophobicContact CH2-CG1 3.66Å; W212-V227 HydrophobicContact CZ2-CB 4.45Å; W212-V227 HydrophobicContact CZ2-CG1 3.22Å; W212-V227 HydrophobicContact CZ2-CG2 4.41Å; W212-V227 HydrophobicContact CZ3-CG1 4.45Å
213K97.3Very high96.1Very high126 Ų12661.6 Ų61.655%0.54834%0.341SS..EExtended strand (participates in β ladder)trans-141.5148173.3-174.7175.5-179.6-179.50109.3V209 N215 Y221 M222V209-K213 HydrophobicContact CG1-CB 3.8Å; V209-K213 HydrophobicContact CG2-CB 4Å; V209-K213 HydrophobicContact CG2-CD 4.04Å; K213-N215 PolarHBondContact O-N 3.28Å; K213-Y221 CarbonylContact O-C 3.59Å; K213-Y221 WeakPolarHBondContact O-CA 3.46Å; K213-Y221 WeakPolarHBondContact O-CB 3.37Å; K213-M222 HydrophobicContact CD-CE 4.17Å; K213-M222 HydrophobicContact CG-CE 4.35Å; K213-M222 PolarHBondContact N-O 3.5Å; K213-M222 PolarHBondContact O-N 2.87Å
214A96.2Very high96.1Very high70 Ų7061.6 Ų61.658%0.57934%0.341SS*.EExtended strand (participates in β ladder)trans-55.6136.1174.100000111M222A214-M222 VanDerWaalsContact O-CE 3.29Å; A214-M222 WeakPolarHBondContact O-CE 3.44Å
215N94.1Very high96.1Very high10 Ų1063 Ų635%0.05335%0.351CS..  trans-80.3160.8178.472.9-0.7000112.6W202 D204 K213 R217 G218 A219 S220 M222W202-N215 PolarHBondContact O-ND2 2.88Å; D204-N215 PolarHBondContact OD2-ND2 3.33Å; K213-N215 PolarHBondContact O-N 3.28Å; N215-R217 PolarHBondContact O-N 2.85Å; N215-R217 VanDerWaalsContact O-N 3.17Å; N215-R217 PolarHBondContact OD1-N 3.04Å; N215-G218 PolarHBondContact O-N 3.48Å; N215-G218 PolarHBondContact OD1-N 2.87Å; N215-A219 PolarHBondContact OD1-N 3.38Å; N215-S220 PolarHBondContact N-O 3.04Å; N215-S220 PolarHBondContact OD1-N 3.21Å; N215-S220 VanDerWaalsContact OD1-N 3.12Å; N215-S220 PolarHBondContact OD1-O 3.02Å; N215-S220 VanDerWaalsContact OD1-O 3.1Å; N215-M222 HydrophobicContact CB-CG 3.82Å
216I93.3Very high96.1Very high160 Ų16065.5 Ų65.582%0.82136%0.364SS*.THydrogen-bonded Turntrans-69.2-9.6178.663.7170.9000113.2G218I216-G218 VanDerWaalsContact C-N 3.3Å
217R92.3Very high96.2Very high98 Ų9865 Ų6537%0.3736%0.359SS..THydrogen-bonded Turntrans-79.1-15.9177.2-50.2-175.3-172.5-105.99.9112.4W202 D204 N215 A219 H244W202-R217 HydrophobicContact CE3-CB 4.37Å; D204-R217 IonicContact OD1-CZ 3.52Å; D204-R217 IonicContact OD1-NE 3.8Å; D204-R217 PolarHBondContact OD1-NE 3.36Å; D204-R217 IonicContact OD1-NH2 2.75Å; D204-R217 PolarHBondContact OD1-NH2 3.12Å; D204-R217 WeakPolarHBondContact OD2-CD 3.32Å; D204-R217 IonicContact OD2-CZ 3.62Å; D204-R217 IonicContact OD2-NE 3.85Å; D204-R217 PolarHBondContact OD2-NE 3.49Å; D204-R217 IonicContact OD2-NH2 2.69Å; N215-R217 PolarHBondContact O-N 2.85Å; N215-R217 VanDerWaalsContact O-N 3.17Å; N215-R217 PolarHBondContact OD1-N 3.04Å; R217-A219 VanDerWaalsContact C-N 3.26Å; R217-A219 PolarHBondContact O-N 3.08Å; R217-H244 WeakPolarHBondContact CD-NE2 3.15Å; R217-H244 PolarHBondContact NE-NE2 2.86Å; R217-H244 PolarHBondContact NH1-NE2 3.45Å; R217-H244 PolarHBondContact NH2-CD2 3.4Å; R217-H244 PolarHBondContact NH2-NE2 3.03Å; R217-H244 PolarHBondContact NH2-O 3.05Å
218G92.2Very high96.3Very high78 Ų7858.8 Ų58.880%0.80433%0.327SS*.SBendtrans70.320.1-177.900000114.1N215 I216N215-G218 PolarHBondContact O-N 3.48Å; N215-G218 PolarHBondContact OD1-N 2.87Å; I216-G218 VanDerWaalsContact C-N 3.3Å
219A91.3Very high96.4Very high41 Ų4152.9 Ų52.934%0.33930%0.3SS..SBendtrans-123.5-27.8-174.600000113.8C198 W202 N215 R217C198-A219 PolarHBondContact SG-O 2.97Å; W202-A219 HydrophobicContact CB-CB 4.12Å; W202-A219 HydrophobicContact CD2-CB 3.93Å; W202-A219 HydrophobicContact CE3-CB 4.19Å; W202-A219 HydrophobicContact CG-CB 3.93Å; N215-A219 PolarHBondContact OD1-N 3.38Å; R217-A219 VanDerWaalsContact C-N 3.26Å; R217-A219 PolarHBondContact O-N 3.08Å
220S95.2Very high96.5Very high10 Ų1055.1 Ų55.17%0.0732%0.316CS..SBendtrans-155.1-151.2-171179.50000110.3D199 A203 N215D199-S220 WeakPolarHBondContact CA-OG 3.34Å; D199-S220 WeakPolarHBondContact OD1-CB 3.44Å; D199-S220 PolarHBondContact OD1-OG 3.22Å; A203-S220 WeakPolarHBondContact CA-OG 3.22Å; A203-S220 WeakPolarHBondContact CB-OG 3.26Å; A203-S220 PolarHBondContact N-OG 3.43Å; N215-S220 PolarHBondContact N-O 3.04Å; N215-S220 PolarHBondContact OD1-N 3.21Å; N215-S220 VanDerWaalsContact OD1-N 3.12Å; N215-S220 PolarHBondContact OD1-O 3.02Å; N215-S220 VanDerWaalsContact OD1-O 3.1Å
221Y95.8Very high96.5Very high90 Ų9049.6 Ų49.635%0.35328%0.282SS..EExtended strand (participates in β ladder)trans-118.2146.8-174.2-58.4-86.6000112.2P174 D199 A203 D204 W212 K213P174-Y221 HydrophobicContact CG-CD2 4.09Å; P174-Y221 HydrophobicContact CG-CE2 3.9Å; D199-Y221 WeakPolarHBondContact OD1-CD2 3.48Å; A203-Y221 CarbonylContact C-O 3.56Å; A203-Y221 VanDerWaalsContact CA-O 3.22Å; A203-Y221 WeakPolarHBondContact CA-O 3.48Å; A203-Y221 WeakPolarHBondContact CB-O 3.02Å; D204-Y221 PolarHBondContact N-O 2.8Å; W212-Y221 HydrophobicContact CB-CD1 4.34Å; W212-Y221 HydrophobicContact CE3-CG 4.19Å; K213-Y221 CarbonylContact O-C 3.59Å; K213-Y221 WeakPolarHBondContact O-CA 3.46Å; K213-Y221 WeakPolarHBondContact O-CB 3.37Å
222M97.9Very high96.6Very high30 Ų3048.9 Ų48.915%0.14828%0.275CS..EExtended strand (participates in β ladder)trans-79.7146.2151.2-70.2179.7-67.300110.2D204 V209 W212 K213 A214 N215D204-M222 HydrophobicContact CB-CG 4.25Å; D204-M222 CarbonylContact O-C 3.56Å; D204-M222 WeakPolarHBondContact O-CA 3.35Å; V209-M222 HydrophobicContact CG2-CB 4.07Å; V209-M222 HydrophobicContact CG2-CE 4.3Å; W212-M222 WeakPolarHBondContact CA-O 3.22Å; K213-M222 HydrophobicContact CD-CE 4.17Å; K213-M222 HydrophobicContact CG-CE 4.35Å; K213-M222 PolarHBondContact N-O 3.5Å; K213-M222 PolarHBondContact O-N 2.87Å; A214-M222 VanDerWaalsContact O-CE 3.29Å; A214-M222 WeakPolarHBondContact O-CE 3.44Å; N215-M222 HydrophobicContact CB-CG 3.82Å
223F98.5Very high96.6Very high0 Ų052 Ų520%029%0.293CS..EExtended strand (participates in β ladder)trans-134.6144.1175.657.5-90.6000113.4L172 A203 D204 P205 S206 G211 W212 V227 V228 L259L172-F223 HydrophobicContact CB-CD1 4.48Å; L172-F223 HydrophobicContact CB-CE1 4.37Å; L172-F223 HydrophobicContact CB-CE2 4.5Å; L172-F223 HydrophobicContact CB-CZ 4.37Å; L172-F223 HydrophobicContact CD1-CD2 4.39Å; L172-F223 HydrophobicContact CD1-CE2 4.22Å; L172-F223 HydrophobicContact CG-CE2 4.3Å; L172-F223 HydrophobicContact CG-CZ 4.34Å; A203-F223 HydrophobicContact CB-CD1 4.11Å; A203-F223 HydrophobicContact CB-CE1 3.86Å; D204-F223 VanDerWaalsContact C-CE1 3.47Å; D204-F223 WeakPolarHBondContact O-CD1 3.31Å; D204-F223 PolarHBondContact O-N 3.15Å; P205-F223 WeakPolarHBondContact CA-O 3.11Å; P205-F223 HydrophobicContact CB-CD2 4.44Å; P205-F223 HydrophobicContact CB-CE2 3.8Å; P205-F223 HydrophobicContact CB-CZ 3.95Å; P205-F223 HydrophobicContact CG-CZ 4.37Å; S206-F223 PolarHBondContact N-O 3.03Å; G211-F223 VanDerWaalsContact O-CA 3.31Å; G211-F223 WeakPolarHBondContact O-CA 3.4Å; W212-F223 HydrophobicContact CD2-CB 4.22Å; W212-F223 HydrophobicContact CE3-CB 3.63Å; W212-F223 HydrophobicContact CE3-CG 4.49Å; W212-F223 HydrophobicContact CH2-CB 4.13Å; W212-F223 HydrophobicContact CH2-CD1 4.49Å; W212-F223 HydrophobicContact CH2-CG 4.42Å; W212-F223 HydrophobicContact CZ3-CB 3.58Å; W212-F223 AromaticContact CZ3-CD1 3.85Å; W212-F223 HydrophobicContact CZ3-CD1 3.85Å; W212-F223 AromaticContact CZ3-CG 3.99Å; W212-F223 HydrophobicContact CZ3-CG 3.99Å; F223-V227 HydrophobicContact CB-CB 4.03Å; F223-V227 HydrophobicContact CB-CG1 3.96Å; F223-V227 HydrophobicContact CB-CG2 4.18Å; F223-V227 HydrophobicContact CD2-CB 4.49Å; F223-V227 HydrophobicContact CD2-CG1 4.36Å; F223-V227 HydrophobicContact CG-CG1 4.4Å; F223-V228 HydrophobicContact CD2-CG2 3.74Å; F223-V228 HydrophobicContact CE2-CG2 3.54Å; F223-L259 HydrophobicContact CE2-CD1 3.87Å; F223-L259 HydrophobicContact CZ-CD1 4.04Å
224G98.3Very high96.6Very high0 Ų051.2 Ų51.20%029%0.289CS..  trans-81.9170.8-176.900000115.1V209 G211 D226 V227 V228V209-G224 WeakPolarHBondContact O-CA 3.43Å; G211-G224 PolarHBondContact O-N 3.26Å; G224-D226 WeakPolarHBondContact CA-OD1 3.46Å; G224-D226 PolarHBondContact O-N 3.06Å; G224-V227 WeakPolarHBondContact O-CB 3.43Å; G224-V227 PolarHBondContact O-N 2.61Å; G224-V228 PolarHBondContact O-N 2.97Å
225P98.5Very high96.7Very high36 Ų3648.8 Ų48.823%0.23427%0.267CS..Hα-helixtrans-57.7-32.7173.8-24.234.3000113.8V227 V228 I229 F254 A255P225-V227 VanDerWaalsContact C-N 3.34Å; P225-V227 PolarHBondContact O-N 2.87Å; P225-V228 PolarHBondContact O-N 3.39Å; P225-I229 WeakPolarHBondContact O-CG1 3.35Å; P225-I229 PolarHBondContact O-N 3.09Å; P225-F254 HydrophobicContact CB-CE1 4.33Å; P225-F254 HydrophobicContact CB-CZ 4.24Å; P225-F254 HydrophobicContact CG-CE1 4.15Å; P225-F254 HydrophobicContact CG-CE2 4.03Å; P225-F254 HydrophobicContact CG-CZ 3.57Å; P225-A255 HydrophobicContact CB-CB 3.84Å
226D98.5Very high96.9Very high64 Ų6452.8 Ų52.834%0.34229%0.288SS..Hα-helixtrans-62.9-38.6177.361.1-61000112.3G211 G224 S230G211-D226 WeakPolarHBondContact CA-OD2 3.23Å; G211-D226 PolarHBondContact N-OD1 3.29Å; G211-D226 VanDerWaalsContact N-OD1 3.09Å; G211-D226 PolarHBondContact N-OD2 3.49Å; G224-D226 WeakPolarHBondContact CA-OD1 3.46Å; G224-D226 PolarHBondContact O-N 3.06Å; D226-S230 VanDerWaalsContact O-CB 3.3Å; D226-S230 WeakPolarHBondContact O-CB 3.2Å; D226-S230 PolarHBondContact O-N 2.98Å; D226-S230 PolarHBondContact O-OG 2.98Å
227V98.6Very high97.1Very high7 Ų745.4 Ų45.44%0.04225%0.25CS..Hα-helixtrans-64.9-41.8174.9174.80000110.8L172 G211 W212 F223 G224 P225 S230 T231L172-V227 HydrophobicContact CD1-CG1 4.06Å; G211-V227 VanDerWaalsContact O-CG2 3.26Å; G211-V227 WeakPolarHBondContact O-CG2 3.1Å; W212-V227 HydrophobicContact CD2-CG1 4.48Å; W212-V227 HydrophobicContact CD2-CG2 4.42Å; W212-V227 HydrophobicContact CH2-CG1 3.66Å; W212-V227 HydrophobicContact CZ2-CB 4.45Å; W212-V227 HydrophobicContact CZ2-CG1 3.22Å; W212-V227 HydrophobicContact CZ2-CG2 4.41Å; W212-V227 HydrophobicContact CZ3-CG1 4.45Å; F223-V227 HydrophobicContact CB-CB 4.03Å; F223-V227 HydrophobicContact CB-CG1 3.96Å; F223-V227 HydrophobicContact CB-CG2 4.18Å; F223-V227 HydrophobicContact CD2-CB 4.49Å; F223-V227 HydrophobicContact CD2-CG1 4.36Å; F223-V227 HydrophobicContact CG-CG1 4.4Å; G224-V227 WeakPolarHBondContact O-CB 3.43Å; G224-V227 PolarHBondContact O-N 2.61Å; P225-V227 VanDerWaalsContact C-N 3.34Å; P225-V227 PolarHBondContact O-N 2.87Å; V227-S230 WeakPolarHBondContact CA-OG 3.41Å; V227-S230 PolarHBondContact O-OG 3.37Å; V227-S230 VanDerWaalsContact O-OG 3.09Å; V227-T231 WeakPolarHBondContact O-CB 3.46Å; V227-T231 PolarHBondContact O-N 3.41Å; V227-T231 PolarHBondContact O-OG1 3.48Å
228V98.7Very high97.4Very high0 Ų044.8 Ų44.80%025%0.254CS..Hα-helixtrans-65.4-50179.2176.60000110.6L172 F223 G224 P225 S230 T231 C232 I240 F254 A255 K258 L259L172-V228 HydrophobicContact CD1-CG2 4.15Å; F223-V228 HydrophobicContact CD2-CG2 3.74Å; F223-V228 HydrophobicContact CE2-CG2 3.54Å; G224-V228 PolarHBondContact O-N 2.97Å; P225-V228 PolarHBondContact O-N 3.39Å; V228-S230 PolarHBondContact O-N 3.31Å; V228-T231 PolarHBondContact O-N 2.89Å; V228-C232 WeakPolarHBondContact O-CB 3.27Å; V228-C232 PolarHBondContact O-N 3.26Å; V228-C232 PolarHBondContact O-SG 3.49Å; V228-I240 HydrophobicContact CG1-CD1 4.17Å; V228-F254 HydrophobicContact CG2-CD1 3.92Å; V228-F254 HydrophobicContact CG2-CE1 3.72Å; V228-A255 HydrophobicContact CB-CB 3.67Å; V228-A255 HydrophobicContact CG1-CB 3.71Å; V228-A255 HydrophobicContact CG2-CB 4.25Å; V228-K258 HydrophobicContact CG1-CB 3.78Å; V228-L259 HydrophobicContact CG1-CB 3.82Å; V228-L259 HydrophobicContact CG2-CB 4.43Å; V228-L259 HydrophobicContact CG2-CD1 4.05Å
229I98.5Very high97.7Very high56 Ų5641.7 Ų41.729%0.28722%0.219SC..Hα-helixtrans-60.6-48.9-179.2-67.8163.9000110.7P225 T231 C232 Q233 A255P225-I229 WeakPolarHBondContact O-CG1 3.35Å; P225-I229 PolarHBondContact O-N 3.09Å; I229-T231 PolarHBondContact O-N 3.4Å; I229-C232 PolarHBondContact O-N 3.42Å; I229-Q233 WeakPolarHBondContact O-CG 3.25Å; I229-Q233 PolarHBondContact O-N 3.48Å; I229-A255 HydrophobicContact CG1-CB 4.46Å
230S98.1Very high98.1Very high58 Ų5839.8 Ų39.841%0.40620%0.203SC..Hα-helixtrans-65.2-38.4179.658.70000112.3D226 V227 V228 Q233 K234D226-S230 VanDerWaalsContact O-CB 3.3Å; D226-S230 WeakPolarHBondContact O-CB 3.2Å; D226-S230 PolarHBondContact O-N 2.98Å; D226-S230 PolarHBondContact O-OG 2.98Å; V227-S230 WeakPolarHBondContact CA-OG 3.41Å; V227-S230 PolarHBondContact O-OG 3.37Å; V227-S230 VanDerWaalsContact O-OG 3.09Å; V228-S230 PolarHBondContact O-N 3.31Å; S230-Q233 PolarHBondContact O-N 3.4Å; S230-K234 WeakPolarHBondContact O-CB 3.21Å; S230-K234 PolarHBondContact O-N 2.89Å
231T98.4Very high98.2Very high7 Ų739.3 Ų39.34%0.04320%0.2CC..Hα-helixtrans-66-44.4175.8-62.60000111.8L172 V227 V228 I229 Q233 K234 L235L172-T231 HydrophobicContact CD1-CG2 3.93Å; L172-T231 HydrophobicContact CD2-CG2 3.86Å; L172-T231 HydrophobicContact CG-CG2 4.5Å; V227-T231 WeakPolarHBondContact O-CB 3.46Å; V227-T231 PolarHBondContact O-N 3.41Å; V227-T231 PolarHBondContact O-OG1 3.48Å; V228-T231 PolarHBondContact O-N 2.89Å; I229-T231 PolarHBondContact O-N 3.4Å; T231-Q233 VanDerWaalsContact C-N 3.31Å; T231-Q233 PolarHBondContact O-N 2.79Å; T231-K234 PolarHBondContact O-N 3.12Å; T231-L235 HydrophobicContact CG2-CD1 3.68Å; T231-L235 HydrophobicContact CG2-CG 4.16Å; T231-L235 WeakPolarHBondContact O-CB 3.46Å; T231-L235 PolarHBondContact O-N 3.29Å
232C98.5Very high98.4Very high3 Ų335 Ų352%0.0218%0.183CC..Hα-helixtrans-58.9-43.2175.8-78.70000111.6V228 I229 D236 L237 K258V228-C232 WeakPolarHBondContact O-CB 3.27Å; V228-C232 PolarHBondContact O-N 3.26Å; V228-C232 PolarHBondContact O-SG 3.49Å; I229-C232 PolarHBondContact O-N 3.42Å; C232-D236 WeakPolarHBondContact O-CA 3.46Å; C232-D236 PolarHBondContact O-N 3.5Å; C232-D236 VanDerWaalsContact O-N 3.1Å; C232-L237 HydrophobicContact CB-CB 4.45Å; C232-L237 WeakPolarHBondContact CB-O 3.47Å; C232-L237 PolarHBondContact O-N 3.01Å; C232-K258 HydrophobicContact CB-CD 4.3Å
233Q98Very high98.4Very high149 Ų14933.6 Ų33.670%0.69618%0.176SC*.Hα-helixtrans-64.4-48.1174.8-71172.5-15.100111.9I229 S230 T231 L235 D236I229-Q233 WeakPolarHBondContact O-CG 3.25Å; I229-Q233 PolarHBondContact O-N 3.48Å; S230-Q233 PolarHBondContact O-N 3.4Å; T231-Q233 VanDerWaalsContact C-N 3.31Å; T231-Q233 PolarHBondContact O-N 2.79Å; Q233-L235 VanDerWaalsContact C-N 3.34Å; Q233-L235 PolarHBondContact O-N 3.45Å; Q233-D236 PolarHBondContact O-N 3.05Å
234K98.2Very high98.4Very high108 Ų10834.1 Ų34.147%0.4718%0.179SC..Hα-helixtrans-61.8-38.6-177.6-177.2176.9701800113L176 S230 T231L176-K234 PolarHBondContact O-NZ 3.07Å; S230-K234 WeakPolarHBondContact O-CB 3.21Å; S230-K234 PolarHBondContact O-N 2.89Å; T231-K234 PolarHBondContact O-N 3.12Å
235L98.3Very high98.4Very high20 Ų2036.3 Ų36.311%0.10519%0.189CC..THydrogen-bonded Turntrans-99.76.5-176.2-59.2-175.7000113.5L166 L176 N177 L179 T231 Q233 L237L166-L235 HydrophobicContact CD2-CD1 4.49Å; L176-L235 HydrophobicContact CD2-CD1 3.93Å; L176-L235 HydrophobicContact CG-CD1 4.2Å; N177-L235 WeakPolarHBondContact O-CD2 3.41Å; L179-L235 HydrophobicContact CD2-CD1 4.05Å; T231-L235 HydrophobicContact CG2-CD1 3.68Å; T231-L235 HydrophobicContact CG2-CG 4.16Å; T231-L235 WeakPolarHBondContact O-CB 3.46Å; T231-L235 PolarHBondContact O-N 3.29Å; Q233-L235 VanDerWaalsContact C-N 3.34Å; Q233-L235 PolarHBondContact O-N 3.45Å; L235-L237 HydrophobicContact CB-CD1 3.78Å; L235-L237 HydrophobicContact CB-CG 3.83Å; L235-L237 HydrophobicContact CD1-CD1 4.13Å; L235-L237 PolarHBondContact O-N 3.47Å
236D98Very high98.3Very high93 Ų9336.8 Ų36.850%0.49719%0.191SC..THydrogen-bonded Turntrans54.646.3-177.3-164.131.4000113.8R164 C232 Q233R164-D236 WeakPolarHBondContact CD-O 3.28Å; R164-D236 IonicContact CZ-OD1 3.79Å; R164-D236 IonicContact CZ-OD2 2.7Å; R164-D236 PolarHBondContact NH1-O 2.99Å; R164-D236 IonicContact NH1-OD1 3.56Å; R164-D236 PolarHBondContact NH1-OD1 3.27Å; R164-D236 IonicContact NH1-OD2 3.69Å; R164-D236 PolarHBondContact NH1-OD2 2.98Å; R164-D236 VanDerWaalsContact NH1-OD2 3.15Å; R164-D236 IonicContact NH2-OD1 2.76Å; R164-D236 IonicContact NH2-OD2 3.64Å; R164-D236 PolarHBondContact NH2-OD2 2.81Å; C232-D236 WeakPolarHBondContact O-CA 3.46Å; C232-D236 PolarHBondContact O-N 3.5Å; C232-D236 VanDerWaalsContact O-N 3.1Å; Q233-D236 PolarHBondContact O-N 3.05Å
237L98.4Very high98.3Very high5 Ų534 Ų343%0.02618%0.176CC..  trans-106.1142.1-177.5-57.2170000112.4L160 R164 L166 C232 L235 I240L160-L237 HydrophobicContact CD1-CD2 3.71Å; R164-L237 WeakPolarHBondContact O-CA 3.33Å; L166-L237 HydrophobicContact CB-CD1 3.59Å; L166-L237 HydrophobicContact CB-CD2 4.06Å; L166-L237 HydrophobicContact CB-CG 4.46Å; L166-L237 HydrophobicContact CD2-CD1 3.87Å; L166-L237 HydrophobicContact CG-CD1 4.39Å; C232-L237 HydrophobicContact CB-CB 4.45Å; C232-L237 WeakPolarHBondContact CB-O 3.47Å; C232-L237 PolarHBondContact O-N 3.01Å; L235-L237 HydrophobicContact CB-CD1 3.78Å; L235-L237 HydrophobicContact CB-CG 3.83Å; L235-L237 HydrophobicContact CD1-CD1 4.13Å; L235-L237 PolarHBondContact O-N 3.47Å; L237-I240 HydrophobicContact CD1-CG1 4.33Å
238D97.9Very high98.2Very high86 Ų8638.2 Ų38.246%0.4620%0.204SC..SBendtrans-85.8-37.1172.7-67.7-41.8000111.9R164 K258R164-D238 HydrophobicContact CB-CB 4.44Å; R164-D238 WeakPolarHBondContact CB-OD2 3.39Å; R164-D238 WeakPolarHBondContact CD-OD2 3.36Å; R164-D238 PolarHBondContact O-N 2.92Å; D238-K258 VanDerWaalsContact O-CD 3.28Å; D238-K258 WeakPolarHBondContact O-CD 3.37Å; D238-K258 PolarHBondContact O-NZ 2.88Å
239L98.5Very high98.1Very high13 Ų1344.6 Ų44.67%0.06823%0.228CC..EExtended strand (participates in β ladder)trans-149.6144.4-172.8-17865.6000111.7R164 I165 L166 V241 N257 K258 V260 L279R164-L239 PolarHBondContact O-N 3.47Å; I165-L239 VanDerWaalsContact CA-O 3.3Å; I165-L239 WeakPolarHBondContact CA-O 3.4Å; I165-L239 HydrophobicContact CG1-CB 4.34Å; I165-L239 HydrophobicContact CG2-CB 4.24Å; I165-L239 HydrophobicContact CG2-CD2 4.29Å; I165-L239 HydrophobicContact CG2-CG 4.37Å; L166-L239 PolarHBondContact N-O 3.18Å; L239-V241 HydrophobicContact CD2-CG2 3.73Å; L239-V241 HydrophobicContact CG-CG2 3.93Å; L239-N257 WeakPolarHBondContact CD1-O 3.47Å; L239-K258 CarbonylContact C-O 3.51Å; L239-K258 WeakPolarHBondContact CA-O 3.37Å; L239-V260 HydrophobicContact CD1-CB 4.48Å; L239-V260 HydrophobicContact CD1-CG1 4.07Å; L239-V260 HydrophobicContact CD2-CG1 4.15Å; L239-V260 HydrophobicContact CG-CG1 4.37Å; L239-L279 HydrophobicContact CD2-CD2 4.1Å
240I98.8Very high98Very high0 Ų042 Ų420%021%0.214CC..EExtended strand (participates in β ladder)trans-108.9131.7164.4-67155.5000108.8L166 M168 L172 V228 L237 K258 L259 V260L166-I240 HydrophobicContact CB-CG1 4.41Å; L166-I240 CarbonylContact O-C 3.49Å; L166-I240 VanDerWaalsContact O-CA 3.29Å; L166-I240 WeakPolarHBondContact O-CA 3.44Å; M168-I240 HydrophobicContact SD-CG2 3.91Å; L172-I240 HydrophobicContact CD1-CD1 3.85Å; L172-I240 HydrophobicContact CD2-CD1 3.77Å; L172-I240 HydrophobicContact CG-CD1 4.16Å; V228-I240 HydrophobicContact CG1-CD1 4.17Å; L237-I240 HydrophobicContact CD1-CG1 4.33Å; I240-K258 PolarHBondContact N-O 2.69Å; I240-L259 HydrophobicContact CB-CB 4.3Å; I240-L259 HydrophobicContact CB-CD1 4.23Å; I240-L259 HydrophobicContact CB-CG 4.23Å; I240-L259 HydrophobicContact CG2-CD1 3.82Å; I240-L259 HydrophobicContact CG2-CG 4.13Å; I240-L259 CarbonylContact O-C 3.59Å; I240-L259 VanDerWaalsContact O-CA 3.26Å; I240-L259 WeakPolarHBondContact O-CA 3.42Å; I240-V260 PolarHBondContact O-N 2.83Å
241V98.9Very high98.1Very high0 Ų041.3 Ų41.30%020%0.203CC..EExtended strand (participates in β ladder)trans-118.3125.3178.5-171.90000109.2I56 L85 I165 L166 C167 M168 L239 V260 I262 L279I56-V241 HydrophobicContact CB-CG1 4.45Å; I56-V241 HydrophobicContact CD1-CB 4.46Å; I56-V241 HydrophobicContact CD1-CG1 4.31Å; I56-V241 HydrophobicContact CD1-CG2 4.21Å; I56-V241 HydrophobicContact CG2-CG1 3.81Å; L85-V241 HydrophobicContact CD1-CG1 4.12Å; I165-V241 HydrophobicContact CG2-CG2 3.5Å; L166-V241 PolarHBondContact O-N 2.9Å; C167-V241 VanDerWaalsContact CA-O 3.25Å; C167-V241 WeakPolarHBondContact CA-O 3.38Å; M168-V241 PolarHBondContact N-O 2.89Å; M168-V241 VanDerWaalsContact N-O 3.15Å; L239-V241 HydrophobicContact CD2-CG2 3.73Å; L239-V241 HydrophobicContact CG-CG2 3.93Å; V241-V260 WeakPolarHBondContact CA-O 3.41Å; V241-V260 HydrophobicContact CB-CG1 4.24Å; V241-V260 HydrophobicContact CG1-CG1 4.03Å; V241-V260 HydrophobicContact CG2-CG1 3.86Å; V241-I262 HydrophobicContact CG1-CG1 4.03Å; V241-L279 HydrophobicContact CB-CD2 4.46Å; V241-L279 HydrophobicContact CG1-CD2 3.94Å; V241-L279 HydrophobicContact CG2-CD2 3.58Å
242R98.8Very high98Very high0 Ų045.6 Ų45.60%022%0.223CC..EExtended strand (participates in β ladder)trans-139.3171.6-176.173.383.549.8151.42.8113.5M168 H169 G170 A203 D204 H244 Q245 L259 V260 T261 I262M168-R242 WeakPolarHBondContact O-CA 3.5Å; H169-R242 PolarHBondContact O-NE 3.28Å; H169-R242 PolarHBondContact O-NH2 3Å; G170-R242 WeakPolarHBondContact O-CB 3.28Å; G170-R242 PolarHBondContact O-NE 2.85Å; G170-R242 PolarHBondContact O-NH2 3.49Å; A203-R242 PolarHBondContact O-NH2 3.36Å; D204-R242 IonicContact OD1-NH1 3.58Å; R242-H244 VanDerWaalsContact NH2-CB 3.31Å; R242-H244 PolarHBondContact NH2-CD2 2.65Å; R242-Q245 VanDerWaalsContact NH1-CG 3.25Å; R242-L259 HydrophobicContact CG-CD1 4.32Å; R242-L259 HydrophobicContact CG-CD2 4.01Å; R242-L259 HydrophobicContact CG-CG 4.33Å; R242-V260 PolarHBondContact N-O 3.09Å; R242-T261 VanDerWaalsContact CD-OG1 3.26Å; R242-T261 WeakPolarHBondContact CD-OG1 3.43Å; R242-T261 CarbonylContact O-C 3.27Å; R242-T261 WeakPolarHBondContact O-CA 3.34Å; R242-I262 PolarHBondContact O-N 3.13Å
243A98.8Very high98Very high0 Ų049.5 Ų49.50%024%0.239CC..  trans-124-136.9-174.700000111.7D59 L85 H169 Q245 I262D59-A243 WeakPolarHBondContact OD1-CB 3.14Å; L85-A243 HydrophobicContact CB-CB 3.76Å; L85-A243 HydrophobicContact CD1-CB 3.95Å; H169-A243 CarbonylContact O-C 3.46Å; H169-A243 PolarHBondContact O-N 3.28Å; A243-Q245 PolarHBondContact O-N 3.34Å; A243-I262 WeakPolarHBondContact CA-O 3.49Å
244H98.2Very high98Very high12 Ų1243.1 Ų43.16%0.05621%0.209CC..SBendtrans69.8-25.1158.6-171.171.7000117.7D59 N119 H169 W202 D204 R217 R242D59-H244 PolarHBondContact OD1-N 3.35Å; D59-H244 WeakPolarHBondContact OD2-CA 3.42Å; D59-H244 PolarHBondContact OD2-N 3.26Å; N119-H244 PolarHBondContact OD1-CE1 2.86Å; N119-H244 PolarHBondContact OD1-ND1 3.24Å; H169-H244 AromaticContact CD2-CG 3.98Å; H169-H244 AromaticContact CD2-ND1 3.55Å; H169-H244 WeakPolarHBondContact NE2-CB 3.18Å; H169-H244 AromaticContact NE2-CG 3.57Å; H169-H244 AromaticContact NE2-ND1 2.99Å; H169-H244 PolarHBondContact NE2-ND1 3.47Å; W202-H244 AromaticContact CE3-CE1 3.81Å; W202-H244 AromaticContact CE3-NE2 3.99Å; D204-H244 IonicContact OD1-CD2 2.71Å; R217-H244 WeakPolarHBondContact CD-NE2 3.15Å; R217-H244 PolarHBondContact NE-NE2 2.86Å; R217-H244 PolarHBondContact NH1-NE2 3.45Å; R217-H244 PolarHBondContact NH2-CD2 3.4Å; R217-H244 PolarHBondContact NH2-NE2 3.03Å; R217-H244 PolarHBondContact NH2-O 3.05Å; R242-H244 VanDerWaalsContact NH2-CB 3.31Å; R242-H244 PolarHBondContact NH2-CD2 2.65Å
245Q97.9Very high98Very high46 Ų4638.3 Ų38.322%0.21519%0.19CC..SBendtrans-106.8122.6172.5-81.3173.4-43.700109.5D204 P205 R242 A243 V247 T261 F263D204-Q245 WeakPolarHBondContact OD1-CG 3.48Å; D204-Q245 PolarHBondContact OD1-NE2 2.94Å; P205-Q245 VanDerWaalsContact CD-OE1 3.27Å; R242-Q245 VanDerWaalsContact NH1-CG 3.25Å; A243-Q245 PolarHBondContact O-N 3.34Å; Q245-V247 PolarHBondContact O-N 3.37Å; Q245-T261 HydrophobicContact CB-CG2 4.15Å; Q245-F263 WeakPolarHBondContact O-CD2 3.49Å
246V97.2Very high97.9Very high46 Ų4644.1 Ų44.128%0.27922%0.221SC..  trans-65.6122.6169.6-1710000107.9F263 Y268 F272 N274V246-F263 HydrophobicContact CB-CE2 4.36Å; V246-F263 HydrophobicContact CB-CZ 4.39Å; V246-F263 HydrophobicContact CG1-CD1 4.32Å; V246-F263 HydrophobicContact CG1-CE1 4.26Å; V246-F263 HydrophobicContact CG2-CD2 4.31Å; V246-F263 HydrophobicContact CG2-CE1 4.07Å; V246-F263 HydrophobicContact CG2-CE2 3.69Å; V246-F263 HydrophobicContact CG2-CZ 3.57Å; V246-Y268 HydrophobicContact CG1-CD1 4.45Å; V246-Y268 HydrophobicContact CG2-CD1 3.4Å; V246-Y268 HydrophobicContact CG2-CE1 3.65Å; V246-Y268 HydrophobicContact CG2-CG 4.19Å; V246-F272 HydrophobicContact CB-CD1 4.18Å; V246-F272 HydrophobicContact CG1-CB 4.23Å; V246-F272 HydrophobicContact CG1-CD1 3.87Å; V246-F272 HydrophobicContact CG1-CG 4.32Å; V246-F272 HydrophobicContact CG2-CD1 4.18Å; V246-F272 HydrophobicContact CG2-CE1 4.21Å; V246-N274 HydrophobicContact CG1-CB 4.04Å
247V97.2Very high97.8Very high5 Ų544.8 Ų44.83%0.0323%0.225CC..  trans-121.9140178.3-72.20000109.6Q245 R249 G250 E252 T261 F263Q245-V247 PolarHBondContact O-N 3.37Å; V247-R249 VanDerWaalsContact C-N 3.28Å; V247-R249 PolarHBondContact O-N 2.74Å; V247-R249 VanDerWaalsContact O-N 3.09Å; V247-G250 VanDerWaalsContact CG2-C 3.46Å; V247-G250 PolarHBondContact O-N 3.08Å; V247-E252 HydrophobicContact CB-CB 4.13Å; V247-E252 HydrophobicContact CG1-CB 3.79Å; V247-E252 HydrophobicContact CG2-CB 4.45Å; V247-T261 HydrophobicContact CG1-CG2 3.98Å; V247-T261 HydrophobicContact CG2-CG2 4.25Å; V247-F263 HydrophobicContact CG2-CB 4.21Å
248P96.3Very high97.8Very high95 Ų9548 Ų4862%0.61724%0.238SC*.THydrogen-bonded Turntrans-55.1-38.2-166.4-29.835.2000114.9N274 D275P248-N274 CarbonylContact O-C 3.56Å; P248-N274 VanDerWaalsContact O-CA 3.27Å; P248-N274 WeakPolarHBondContact O-CA 3.45Å; P248-D275 PolarHBondContact O-N 3.29Å
249R96.8Very high97.9Very high135 Ų13543.9 Ų43.951%0.50922%0.216SC..THydrogen-bonded Turntrans-91.73.3-179-64.8-170.5-60.9-178.90.2113.8V247 Y251 Q291V247-R249 VanDerWaalsContact C-N 3.28Å; V247-R249 PolarHBondContact O-N 2.74Å; V247-R249 VanDerWaalsContact O-N 3.09Å; R249-Y251 HydrophobicContact CB-CD1 3.99Å; R249-Y251 HydrophobicContact CB-CE1 3.87Å; R249-Y251 PolarHBondContact NH1-OH 3.2Å; R249-Y251 PolarHBondContact O-N 3.44Å; R249-Q291 PolarHBondContact O-NE2 3.38Å
250G97.8Very high97.9Very high0 Ų043.2 Ų43.20%021%0.213CC..SBendtrans76.5-5.6-168.700000113.7V247 I262 F263 D275 A277V247-G250 VanDerWaalsContact CG2-C 3.46Å; V247-G250 PolarHBondContact O-N 3.08Å; G250-I262 CarbonylContact O-C 3.14Å; G250-F263 WeakPolarHBondContact CA-O 3.2Å; G250-F263 PolarHBondContact O-N 3.45Å; G250-D275 WeakPolarHBondContact CA-O 3.23Å; G250-D275 PolarHBondContact N-O 2.94Å; G250-A277 WeakPolarHBondContact O-CB 3.35Å
251Y98.4Very high97.9Very high45 Ų4543.3 Ų43.318%0.17621%0.214CC..EExtended strand (participates in β ladder)trans-146.8154.2171.273.8-77.6000112.1R249 F253 T261 A277 V289R249-Y251 HydrophobicContact CB-CD1 3.99Å; R249-Y251 HydrophobicContact CB-CE1 3.87Å; R249-Y251 PolarHBondContact NH1-OH 3.2Å; R249-Y251 PolarHBondContact O-N 3.44Å; Y251-F253 HydrophobicContact CD2-CD2 4.18Å; Y251-F253 AromaticContact CD2-CE2 3.98Å; Y251-F253 HydrophobicContact CD2-CE2 3.98Å; Y251-F253 HydrophobicContact CE2-CD2 4.16Å; Y251-F253 AromaticContact CE2-CE2 3.91Å; Y251-F253 HydrophobicContact CE2-CE2 3.91Å; Y251-T261 CarbonylContact C-O 3.52Å; Y251-T261 WeakPolarHBondContact CA-O 3.49Å; Y251-A277 HydrophobicContact CD1-CB 4.13Å; Y251-V289 HydrophobicContact CD1-CG1 3.53Å; Y251-V289 HydrophobicContact CD2-CB 4.47Å; Y251-V289 HydrophobicContact CD2-CG1 4.17Å; Y251-V289 HydrophobicContact CD2-CG2 3.97Å; Y251-V289 HydrophobicContact CE1-CG1 3.94Å; Y251-V289 HydrophobicContact CE2-CG2 4.36Å; Y251-V289 HydrophobicContact CG-CB 4.41Å; Y251-V289 HydrophobicContact CG-CG1 3.65Å; Y251-V289 HydrophobicContact CG-CG2 4.19Å
252E98.3Very high97.9Very high97 Ų9743.3 Ų43.345%0.45321%0.214SC..EExtended strand (participates in β ladder)trans-150.4130.7173.7-173.6166.5-114.600110.9V247 V260 T261V247-E252 HydrophobicContact CB-CB 4.13Å; V247-E252 HydrophobicContact CG1-CB 3.79Å; V247-E252 HydrophobicContact CG2-CB 4.45Å; E252-V260 CarbonylContact O-C 3.57Å; E252-V260 WeakPolarHBondContact O-CA 3.15Å; E252-T261 PolarHBondContact N-O 3.1Å; E252-T261 PolarHBondContact O-N 3.46Å
253F98.1Very high97.9Very high84 Ų8443.4 Ų43.437%0.36821%0.214SC..EExtended strand (participates in β ladder)trans-90145.2173-71.9-79.7000110.5Y251 N257 L259 V260 V289Y251-F253 HydrophobicContact CD2-CD2 4.18Å; Y251-F253 AromaticContact CD2-CE2 3.98Å; Y251-F253 HydrophobicContact CD2-CE2 3.98Å; Y251-F253 HydrophobicContact CE2-CD2 4.16Å; Y251-F253 AromaticContact CE2-CE2 3.91Å; Y251-F253 HydrophobicContact CE2-CE2 3.91Å; F253-N257 VanDerWaalsContact CB-OD1 3.26Å; F253-N257 WeakPolarHBondContact CB-OD1 3.31Å; F253-N257 HydrophobicContact CD1-CB 4Å; F253-L259 WeakPolarHBondContact CA-O 3.4Å; F253-V260 HydrophobicContact CD1-CB 3.85Å; F253-V260 HydrophobicContact CD1-CG2 3.96Å; F253-V260 HydrophobicContact CE1-CB 3.92Å; F253-V260 HydrophobicContact CE1-CG2 3.89Å; F253-V260 HydrophobicContact CG-CG2 4.4Å; F253-V260 HydrophobicContact CZ-CG2 4.27Å; F253-V289 HydrophobicContact CE2-CG2 4.4Å; F253-V289 HydrophobicContact CZ-CG2 4.23Å
254F98.2Very high97.9Very high15 Ų1543.5 Ų43.57%0.06621%0.214CC..EExtended strand (participates in β ladder)trans-139156.7-176.8-177.9-100.6000110.6P205 N207 P225 V228 N256 N257 K258 L259P205-F254 HydrophobicContact CB-CD1 3.86Å; P205-F254 HydrophobicContact CB-CD2 4.31Å; P205-F254 HydrophobicContact CB-CE1 3.8Å; P205-F254 HydrophobicContact CB-CE2 4.25Å; P205-F254 HydrophobicContact CB-CG 4.11Å; P205-F254 HydrophobicContact CB-CZ 3.99Å; N207-F254 VanDerWaalsContact OD1-CE2 3.22Å; N207-F254 WeakPolarHBondContact OD1-CE2 3.44Å; P225-F254 HydrophobicContact CB-CE1 4.33Å; P225-F254 HydrophobicContact CB-CZ 4.24Å; P225-F254 HydrophobicContact CG-CE1 4.15Å; P225-F254 HydrophobicContact CG-CE2 4.03Å; P225-F254 HydrophobicContact CG-CZ 3.57Å; V228-F254 HydrophobicContact CG2-CD1 3.92Å; V228-F254 HydrophobicContact CG2-CE1 3.72Å; F254-N256 PolarHBondContact O-N 3.43Å; F254-N257 PolarHBondContact O-N 2.98Å; F254-K258 PolarHBondContact O-N 2.88Å; F254-L259 HydrophobicContact CB-CB 4.28Å; F254-L259 HydrophobicContact CB-CD2 3.89Å; F254-L259 HydrophobicContact CD1-CB 4.31Å; F254-L259 HydrophobicContact CD1-CD2 4.43Å; F254-L259 PolarHBondContact N-O 3.37Å; F254-L259 PolarHBondContact O-N 3.22Å; F254-L259 VanDerWaalsContact O-N 3.16Å
255A97.9Very high97.8Very high8 Ų843 Ų437%0.06621%0.212CC..THydrogen-bonded Turntrans49.560.1175.500000114P225 V228 I229 N257 K258P225-A255 HydrophobicContact CB-CB 3.84Å; V228-A255 HydrophobicContact CB-CB 3.67Å; V228-A255 HydrophobicContact CG1-CB 3.71Å; V228-A255 HydrophobicContact CG2-CB 4.25Å; I229-A255 HydrophobicContact CG1-CB 4.46Å; A255-N257 VanDerWaalsContact C-N 3.3Å; A255-N257 PolarHBondContact O-N 3.33Å; A255-K258 VanDerWaalsContact O-CB 3.27Å; A255-K258 WeakPolarHBondContact O-CB 3.31Å; A255-K258 WeakPolarHBondContact O-CG 3.47Å; A255-K258 PolarHBondContact O-N 2.91Å; A255-K258 VanDerWaalsContact O-N 3.12Å
256N95.4Very high97.7Very high142 Ų14240.8 Ų40.876%0.75920%0.202SC*.THydrogen-bonded Turntrans55.742.8-177.7-58.6-16.8000113F254 K258F254-N256 PolarHBondContact O-N 3.43Å; N256-K258 PolarHBondContact O-N 3.34Å
257N97.2Very high97.6Very high107 Ų10740.6 Ų40.657%0.57220%0.199SC*.THydrogen-bonded Turntrans62.817-178.2-51.2-31.3000114.8L239 F253 F254 A255 L259L239-N257 WeakPolarHBondContact CD1-O 3.47Å; F253-N257 VanDerWaalsContact CB-OD1 3.26Å; F253-N257 WeakPolarHBondContact CB-OD1 3.31Å; F253-N257 HydrophobicContact CD1-CB 4Å; F254-N257 PolarHBondContact O-N 2.98Å; A255-N257 VanDerWaalsContact C-N 3.3Å; A255-N257 PolarHBondContact O-N 3.33Å; N257-L259 VanDerWaalsContact C-N 3.34Å
258K98.3Very high97.5Very high71 Ų7140.9 Ų40.931%0.30920%0.2SC..THydrogen-bonded Turntrans-79.5-15.6173.5-71.7-69.2-172.2-176.60113.5V228 C232 D238 L239 I240 F254 A255 N256V228-K258 HydrophobicContact CG1-CB 3.78Å; C232-K258 HydrophobicContact CB-CD 4.3Å; D238-K258 VanDerWaalsContact O-CD 3.28Å; D238-K258 WeakPolarHBondContact O-CD 3.37Å; D238-K258 PolarHBondContact O-NZ 2.88Å; L239-K258 CarbonylContact C-O 3.51Å; L239-K258 WeakPolarHBondContact CA-O 3.37Å; I240-K258 PolarHBondContact N-O 2.69Å; F254-K258 PolarHBondContact O-N 2.88Å; A255-K258 VanDerWaalsContact O-CB 3.27Å; A255-K258 WeakPolarHBondContact O-CB 3.31Å; A255-K258 WeakPolarHBondContact O-CG 3.47Å; A255-K258 PolarHBondContact O-N 2.91Å; A255-K258 VanDerWaalsContact O-N 3.12Å; N256-K258 PolarHBondContact O-N 3.34Å
259L98.8Very high97.1Very high0 Ų038.8 Ų38.80%019%0.187CC..EExtended strand (participates in β ladder)trans-130.6142.9170.5-178.9151.3000110.1P205 F223 V228 I240 R242 F253 F254 N257P205-L259 HydrophobicContact CB-CD2 4.42Å; P205-L259 HydrophobicContact CG-CD2 4.11Å; F223-L259 HydrophobicContact CE2-CD1 3.87Å; F223-L259 HydrophobicContact CZ-CD1 4.04Å; V228-L259 HydrophobicContact CG1-CB 3.82Å; V228-L259 HydrophobicContact CG2-CB 4.43Å; V228-L259 HydrophobicContact CG2-CD1 4.05Å; I240-L259 HydrophobicContact CB-CB 4.3Å; I240-L259 HydrophobicContact CB-CD1 4.23Å; I240-L259 HydrophobicContact CB-CG 4.23Å; I240-L259 HydrophobicContact CG2-CD1 3.82Å; I240-L259 HydrophobicContact CG2-CG 4.13Å; I240-L259 CarbonylContact O-C 3.59Å; I240-L259 VanDerWaalsContact O-CA 3.26Å; I240-L259 WeakPolarHBondContact O-CA 3.42Å; R242-L259 HydrophobicContact CG-CD1 4.32Å; R242-L259 HydrophobicContact CG-CD2 4.01Å; R242-L259 HydrophobicContact CG-CG 4.33Å; F253-L259 WeakPolarHBondContact CA-O 3.4Å; F254-L259 HydrophobicContact CB-CB 4.28Å; F254-L259 HydrophobicContact CB-CD2 3.89Å; F254-L259 HydrophobicContact CD1-CB 4.31Å; F254-L259 HydrophobicContact CD1-CD2 4.43Å; F254-L259 PolarHBondContact N-O 3.37Å; F254-L259 PolarHBondContact O-N 3.22Å; F254-L259 VanDerWaalsContact O-N 3.16Å; N257-L259 VanDerWaalsContact C-N 3.34Å
260V98.7Very high96.6Very high0 Ų034.8 Ų34.80%019%0.188CC..EExtended strand (participates in β ladder)trans-130.8128.2170.364.40000110.8L239 I240 V241 R242 E252 F253 I262 L279L239-V260 HydrophobicContact CD1-CB 4.48Å; L239-V260 HydrophobicContact CD1-CG1 4.07Å; L239-V260 HydrophobicContact CD2-CG1 4.15Å; L239-V260 HydrophobicContact CG-CG1 4.37Å; I240-V260 PolarHBondContact O-N 2.83Å; V241-V260 WeakPolarHBondContact CA-O 3.41Å; V241-V260 HydrophobicContact CB-CG1 4.24Å; V241-V260 HydrophobicContact CG1-CG1 4.03Å; V241-V260 HydrophobicContact CG2-CG1 3.86Å; R242-V260 PolarHBondContact N-O 3.09Å; E252-V260 CarbonylContact O-C 3.57Å; E252-V260 WeakPolarHBondContact O-CA 3.15Å; F253-V260 HydrophobicContact CD1-CB 3.85Å; F253-V260 HydrophobicContact CD1-CG2 3.96Å; F253-V260 HydrophobicContact CE1-CB 3.92Å; F253-V260 HydrophobicContact CE1-CG2 3.89Å; F253-V260 HydrophobicContact CG-CG2 4.4Å; F253-V260 HydrophobicContact CZ-CG2 4.27Å; V260-I262 HydrophobicContact CG2-CD1 3.82Å; V260-I262 HydrophobicContact CG2-CG1 4.45Å; V260-L279 HydrophobicContact CG1-CD2 3.83Å
261T98.8Very high96.1Very high2 Ų242.1 Ų42.11%0.01222%0.222CC..EExtended strand (participates in β ladder)trans-88.1133.5169-61.20000108.7R242 Q245 V247 Y251 E252R242-T261 VanDerWaalsContact CD-OG1 3.26Å; R242-T261 WeakPolarHBondContact CD-OG1 3.43Å; R242-T261 CarbonylContact O-C 3.27Å; R242-T261 WeakPolarHBondContact O-CA 3.34Å; Q245-T261 HydrophobicContact CB-CG2 4.15Å; V247-T261 HydrophobicContact CG1-CG2 3.98Å; V247-T261 HydrophobicContact CG2-CG2 4.25Å; Y251-T261 CarbonylContact C-O 3.52Å; Y251-T261 WeakPolarHBondContact CA-O 3.49Å; E252-T261 PolarHBondContact N-O 3.1Å; E252-T261 PolarHBondContact O-N 3.46Å
262I98.8Very high95.7Very high0 Ų045 Ų450%024%0.236CC..EExtended strand (participates in β ladder)trans-124.6129.6176.5-56.6-63.8000109.1G58 V241 R242 A243 G250 V260 A277 L279G58-I262 WeakPolarHBondContact CA-O 3.21Å; V241-I262 HydrophobicContact CG1-CG1 4.03Å; R242-I262 PolarHBondContact O-N 3.13Å; A243-I262 WeakPolarHBondContact CA-O 3.49Å; G250-I262 CarbonylContact O-C 3.14Å; V260-I262 HydrophobicContact CG2-CD1 3.82Å; V260-I262 HydrophobicContact CG2-CG1 4.45Å; I262-A277 WeakPolarHBondContact CG2-O 3.44Å; I262-L279 HydrophobicContact CD1-CB 3.87Å; I262-L279 HydrophobicContact CG1-CB 4.06Å
263F98.6Very high95.4Very high2 Ų245 Ų451%0.00924%0.239CC..BIsolated β-bridgetrans-127.3119.3175.6-158-92.3000108.7D59 Q245 V246 V247 G250 A265 Y268 G276 A277D59-F263 HydrophobicContact CB-CD2 3.8Å; D59-F263 HydrophobicContact CB-CE1 4.42Å; D59-F263 HydrophobicContact CB-CE2 3.39Å; D59-F263 HydrophobicContact CB-CG 4.47Å; D59-F263 HydrophobicContact CB-CZ 3.72Å; D59-F263 VanDerWaalsContact CG-CD2 3.48Å; D59-F263 WeakPolarHBondContact OD1-CD2 3.29Å; D59-F263 VanDerWaalsContact OD1-CE2 3.29Å; D59-F263 WeakPolarHBondContact OD1-CE2 3.33Å; Q245-F263 WeakPolarHBondContact O-CD2 3.49Å; V246-F263 HydrophobicContact CB-CE2 4.36Å; V246-F263 HydrophobicContact CB-CZ 4.39Å; V246-F263 HydrophobicContact CG1-CD1 4.32Å; V246-F263 HydrophobicContact CG1-CE1 4.26Å; V246-F263 HydrophobicContact CG2-CD2 4.31Å; V246-F263 HydrophobicContact CG2-CE1 4.07Å; V246-F263 HydrophobicContact CG2-CE2 3.69Å; V246-F263 HydrophobicContact CG2-CZ 3.57Å; V247-F263 HydrophobicContact CG2-CB 4.21Å; G250-F263 WeakPolarHBondContact CA-O 3.2Å; G250-F263 PolarHBondContact O-N 3.45Å; F263-A265 HydrophobicContact CD1-CB 4.12Å; F263-A265 WeakPolarHBondContact CD1-O 3.4Å; F263-A265 HydrophobicContact CE1-CB 3.54Å; F263-A265 VanDerWaalsContact CE1-O 3.32Å; F263-A265 WeakPolarHBondContact CE1-O 3.41Å; F263-A265 HydrophobicContact CZ-CB 4.24Å; F263-Y268 HydrophobicContact CE1-CD1 4.43Å; F263-Y268 AromaticContact CE1-CD2 3.93Å; F263-Y268 HydrophobicContact CE1-CD2 3.93Å; F263-Y268 AromaticContact CE1-CG 3.81Å; F263-Y268 HydrophobicContact CE1-CG 3.81Å; F263-Y268 HydrophobicContact CZ-CD1 4.13Å; F263-Y268 AromaticContact CZ-CD2 3.79Å; F263-Y268 HydrophobicContact CZ-CD2 3.79Å; F263-Y268 HydrophobicContact CZ-CE1 4.31Å; F263-Y268 HydrophobicContact CZ-CE2 4.02Å; F263-Y268 AromaticContact CZ-CG 3.83Å; F263-Y268 HydrophobicContact CZ-CG 3.83Å; F263-G276 WeakPolarHBondContact O-CA 3.5Å; F263-A277 PolarHBondContact O-N 3.43Å
264S98.5Very high95.3Very high1 Ų141 Ų411%0.00722%0.221CC..  trans-103.66.7-170.6-62.70000113.8G58 D59 P266 A277 F292G58-S264 PolarHBondContact N-OG 3.04Å; D59-S264 CarbonylContact O-C 3.56Å; D59-S264 VanDerWaalsContact O-C 3.27Å; D59-S264 WeakPolarHBondContact O-CA 3.49Å; D59-S264 WeakPolarHBondContact O-CB 3.31Å; D59-S264 PolarHBondContact O-N 2.94Å; S264-P266 VanDerWaalsContact O-CD 3.31Å; S264-P266 WeakPolarHBondContact O-CD 3.25Å; S264-A277 PolarHBondContact OG-O 2.95Å; S264-F292 VanDerWaalsContact O-CZ 3.24Å; S264-F292 WeakPolarHBondContact O-CZ 3.39Å
265A97.3Very high95.2Very high1 Ų141.6 Ų41.61%0.00823%0.225CC..  trans-105.895.6178.600000110.8D59 F263 Y268 N274D59-A265 PolarHBondContact O-N 3.47Å; D59-A265 VanDerWaalsContact O-N 3.14Å; F263-A265 HydrophobicContact CD1-CB 4.12Å; F263-A265 WeakPolarHBondContact CD1-O 3.4Å; F263-A265 HydrophobicContact CE1-CB 3.54Å; F263-A265 VanDerWaalsContact CE1-O 3.32Å; F263-A265 WeakPolarHBondContact CE1-O 3.41Å; F263-A265 HydrophobicContact CZ-CB 4.24Å; A265-Y268 HydrophobicContact CB-CD2 4.3Å; A265-N274 PolarHBondContact O-ND2 2.94Å
266P96.5Very high95.2Very high1 Ų141.2 Ų41.21%0.00622%0.222CC..THydrogen-bonded Turntrans-71.5151.4179.130.7-36.3000111.7Q63 D66 S264 Y268 N274 F292 R294Q63-P266 PolarHBondContact NE2-O 3.31Å; D66-P266 HydrophobicContact CB-CG 4.13Å; D66-P266 WeakPolarHBondContact OD1-CG 3.37Å; S264-P266 VanDerWaalsContact O-CD 3.31Å; S264-P266 WeakPolarHBondContact O-CD 3.25Å; P266-Y268 PolarHBondContact O-N 3.31Å; P266-N274 CarbonylContact C-O 3.4Å; P266-N274 WeakPolarHBondContact CA-O 3.44Å; P266-F292 HydrophobicContact CG-CD2 4.15Å; P266-F292 HydrophobicContact CG-CE2 3.71Å; P266-R294 HydrophobicContact CB-CB 4.32Å
267N94.9Very high95.3Very high41 Ų4134.5 Ų34.522%0.21919%0.186CC..THydrogen-bonded Turntrans46.449.8-176.4-165.868.2000110.9C269 G270 N274 R294N267-C269 PolarHBondContact O-N 3.15Å; N267-G270 WeakPolarHBondContact ND2-CA 3.23Å; N267-G270 PolarHBondContact ND2-O 3.36Å; N267-G270 WeakPolarHBondContact O-CA 3.35Å; N267-G270 PolarHBondContact O-N 2.74Å; N267-N274 PolarHBondContact N-O 3.49Å; N267-N274 PolarHBondContact N-OD1 3.49Å; N267-R294 HydrophobicContact CB-CB 3.8Å
268Y93.9Very high95.4Very high11 Ų1129.4 Ų29.44%0.04316%0.159CC..G310 helixtrans-51.8138.4-172177.6-123.6000111H61 R91 V246 F263 A265 P266 G270 E271 F272 N274H61-Y268 HydrophobicContact CB-CE2 3.82Å; H61-Y268 AromaticContact CD2-CE2 3.21Å; H61-Y268 WeakPolarHBondContact CD2-CE2 3.27Å; H61-Y268 AromaticContact CD2-CZ 3.6Å; H61-Y268 PolarHBondContact CD2-OH 3.41Å; H61-Y268 AromaticContact CG-CE2 3.71Å; H61-Y268 AromaticContact NE2-CE2 3.91Å; H61-Y268 AromaticContact NE2-CZ 3.81Å; H61-Y268 PolarHBondContact NE2-OH 2.89Å; H61-Y268 VanDerWaalsContact NE2-OH 3.07Å; R91-Y268 HydrophobicContact CB-CE2 4.33Å; R91-Y268 HydrophobicContact CG-CE2 4.41Å; R91-Y268 WeakPolarHBondContact CG-OH 3.36Å; R91-Y268 PolarHBondContact NH1-OH 3.15Å; V246-Y268 HydrophobicContact CG1-CD1 4.45Å; V246-Y268 HydrophobicContact CG2-CD1 3.4Å; V246-Y268 HydrophobicContact CG2-CE1 3.65Å; V246-Y268 HydrophobicContact CG2-CG 4.19Å; F263-Y268 HydrophobicContact CE1-CD1 4.43Å; F263-Y268 AromaticContact CE1-CD2 3.93Å; F263-Y268 HydrophobicContact CE1-CD2 3.93Å; F263-Y268 AromaticContact CE1-CG 3.81Å; F263-Y268 HydrophobicContact CE1-CG 3.81Å; F263-Y268 HydrophobicContact CZ-CD1 4.13Å; F263-Y268 AromaticContact CZ-CD2 3.79Å; F263-Y268 HydrophobicContact CZ-CD2 3.79Å; F263-Y268 HydrophobicContact CZ-CE1 4.31Å; F263-Y268 HydrophobicContact CZ-CE2 4.02Å; F263-Y268 AromaticContact CZ-CG 3.83Å; F263-Y268 HydrophobicContact CZ-CG 3.83Å; A265-Y268 HydrophobicContact CB-CD2 4.3Å; P266-Y268 PolarHBondContact O-N 3.31Å; Y268-G270 PolarHBondContact O-N 3.24Å; Y268-E271 PolarHBondContact O-N 3.37Å; Y268-F272 HydrophobicContact CD1-CD1 4.18Å; Y268-F272 AromaticContact CD1-CD2 3.61Å; Y268-F272 HydrophobicContact CD1-CD2 3.61Å; Y268-F272 HydrophobicContact CD1-CE1 4.22Å; Y268-F272 AromaticContact CD1-CE2 3.65Å; Y268-F272 HydrophobicContact CD1-CE2 3.65Å; Y268-F272 AromaticContact CD1-CG 3.88Å; Y268-F272 HydrophobicContact CD1-CG 3.88Å; Y268-F272 AromaticContact CD1-CZ 3.96Å; Y268-F272 HydrophobicContact CD1-CZ 3.96Å; Y268-F272 HydrophobicContact CE1-CD2 4.45Å; Y268-F272 HydrophobicContact CE1-CE2 4.04Å; Y268-F272 HydrophobicContact CE1-CZ 4.12Å; Y268-F272 HydrophobicContact CG-CD2 4.3Å; Y268-F272 WeakPolarHBondContact O-CD2 3.31Å; Y268-F272 PolarHBondContact O-N 3.35Å; Y268-N274 VanDerWaalsContact CB-OD1 3.31Å; Y268-N274 WeakPolarHBondContact CB-OD1 3.48Å; Y268-N274 PolarHBondContact N-OD1 3.34Å
269C88.9Confident95.4Very high52 Ų5226 Ų2635%0.35114%0.144SC..G310 helixtrans53.75.9-172.5-700000115.9N267 F272N267-C269 PolarHBondContact O-N 3.15Å; C269-F272 HydrophobicContact CB-CD2 4.21Å; C269-F272 HydrophobicContact CB-CE2 4.09Å
270G85.6Confident95.4Very high50 Ų5028.3 Ų28.352%0.51516%0.156SC..G310 helixtrans88.1-1.9-170.900000114.8N267 Y268N267-G270 WeakPolarHBondContact ND2-CA 3.23Å; N267-G270 PolarHBondContact ND2-O 3.36Å; N267-G270 WeakPolarHBondContact O-CA 3.35Å; N267-G270 PolarHBondContact O-N 2.74Å; Y268-G270 PolarHBondContact O-N 3.24Å
271E87.6Confident95.4Very high155 Ų15528.3 Ų28.372%0.72416%0.156SC*.THydrogen-bonded Turntrans-129.6-34.2-160.3-63.7-178.7169.500114.8Y268 D273Y268-E271 PolarHBondContact O-N 3.37Å; E271-D273 PolarHBondContact O-N 2.96Å; E271-D273 VanDerWaalsContact O-N 3.12Å
272F89.1Confident95.2Very high106 Ų10630.4 Ų30.447%0.46517%0.167SC..SBendtrans-75.3-4.7-164.4-77.4-110.8000115.1V246 Y268 C269 N274V246-F272 HydrophobicContact CB-CD1 4.18Å; V246-F272 HydrophobicContact CG1-CB 4.23Å; V246-F272 HydrophobicContact CG1-CD1 3.87Å; V246-F272 HydrophobicContact CG1-CG 4.32Å; V246-F272 HydrophobicContact CG2-CD1 4.18Å; V246-F272 HydrophobicContact CG2-CE1 4.21Å; Y268-F272 HydrophobicContact CD1-CD1 4.18Å; Y268-F272 AromaticContact CD1-CD2 3.61Å; Y268-F272 HydrophobicContact CD1-CD2 3.61Å; Y268-F272 HydrophobicContact CD1-CE1 4.22Å; Y268-F272 AromaticContact CD1-CE2 3.65Å; Y268-F272 HydrophobicContact CD1-CE2 3.65Å; Y268-F272 AromaticContact CD1-CG 3.88Å; Y268-F272 HydrophobicContact CD1-CG 3.88Å; Y268-F272 AromaticContact CD1-CZ 3.96Å; Y268-F272 HydrophobicContact CD1-CZ 3.96Å; Y268-F272 HydrophobicContact CE1-CD2 4.45Å; Y268-F272 HydrophobicContact CE1-CE2 4.04Å; Y268-F272 HydrophobicContact CE1-CZ 4.12Å; Y268-F272 HydrophobicContact CG-CD2 4.3Å; Y268-F272 WeakPolarHBondContact O-CD2 3.31Å; Y268-F272 PolarHBondContact O-N 3.35Å; C269-F272 HydrophobicContact CB-CD2 4.21Å; C269-F272 HydrophobicContact CB-CE2 4.09Å; F272-N274 WeakPolarHBondContact CB-OD1 3.26Å; F272-N274 PolarHBondContact O-N 2.93Å
273D92.2Very high94.9Very high95 Ų9537.2 Ų37.251%0.50820%0.199SC..  trans47.830.4-178-160.32.4000114.3E271 R294E271-D273 PolarHBondContact O-N 2.96Å; E271-D273 VanDerWaalsContact O-N 3.12Å; D273-R294 VanDerWaalsContact CG-CZ 3.43Å; D273-R294 WeakPolarHBondContact OD1-CD 3.14Å; D273-R294 IonicContact OD1-CZ 3.73Å; D273-R294 IonicContact OD1-NE 2.8Å; D273-R294 PolarHBondContact OD1-NE 3.28Å; D273-R294 IonicContact OD1-NH1 3.3Å; D273-R294 PolarHBondContact OD1-NH1 3.09Å; D273-R294 IonicContact OD1-NH2 2.73Å; D273-R294 PolarHBondContact OD1-NH2 3.47Å; D273-R294 IonicContact OD2-CZ 3.46Å; D273-R294 IonicContact OD2-NH2 3.03Å; D273-R294 PolarHBondContact OD2-NH2 2.82Å
274N96Very high94.6Very high1 Ų142.3 Ų42.31%0.00523%0.226CC..PPolyproline II helixtrans-91.8154.2178.470.5-68.3000111.5V246 P248 A265 P266 N267 Y268 F272V246-N274 HydrophobicContact CG1-CB 4.04Å; P248-N274 CarbonylContact O-C 3.56Å; P248-N274 VanDerWaalsContact O-CA 3.27Å; P248-N274 WeakPolarHBondContact O-CA 3.45Å; A265-N274 PolarHBondContact O-ND2 2.94Å; P266-N274 CarbonylContact C-O 3.4Å; P266-N274 WeakPolarHBondContact CA-O 3.44Å; N267-N274 PolarHBondContact N-O 3.49Å; N267-N274 PolarHBondContact N-OD1 3.49Å; Y268-N274 VanDerWaalsContact CB-OD1 3.31Å; Y268-N274 WeakPolarHBondContact CB-OD1 3.48Å; Y268-N274 PolarHBondContact N-OD1 3.34Å; F272-N274 WeakPolarHBondContact CB-OD1 3.26Å; F272-N274 PolarHBondContact O-N 2.93Å
275D96.6Very high94.3Very high28 Ų2844.4 Ų44.415%0.1524%0.243CC..PPolyproline II helixtrans-83.7166.9165.2-70.6-29.9000111.1P248 G250 Q291 R293 R294P248-D275 PolarHBondContact O-N 3.29Å; G250-D275 WeakPolarHBondContact CA-O 3.23Å; G250-D275 PolarHBondContact N-O 2.94Å; D275-Q291 HydrophobicContact CB-CG 3.98Å; D275-Q291 VanDerWaalsContact CB-NE2 3.33Å; D275-Q291 PolarHBondContact OD2-NE2 2.92Å; D275-R293 VanDerWaalsContact OD1-CA 3.24Å; D275-R293 WeakPolarHBondContact OD1-CA 3.41Å; D275-R294 PolarHBondContact OD1-N 3.43Å
276G97.7Very high94.2Very high0 Ų047.9 Ų47.90%026%0.264CS..EExtended strand (participates in β ladder)trans-101.8148.7169.300000110.4F263 Q291 F292F263-G276 WeakPolarHBondContact O-CA 3.5Å; G276-Q291 CarbonylContact O-C 3.43Å; G276-Q291 WeakPolarHBondContact O-CA 3.23Å; G276-F292 VanDerWaalsContact C-CE1 3.46Å; G276-F292 PolarHBondContact N-O 2.67Å; G276-F292 VanDerWaalsContact O-CD1 3.26Å; G276-F292 WeakPolarHBondContact O-CD1 3.45Å; G276-F292 PolarHBondContact O-N 3.28Å
277A98.3Very high94.2Very high0 Ų050 Ų500%028%0.279CS..EExtended strand (participates in β ladder)trans-141.4167.1173.200000113.1G250 Y251 I262 F263 S264 V289 K290G250-A277 WeakPolarHBondContact O-CB 3.35Å; Y251-A277 HydrophobicContact CD1-CB 4.13Å; I262-A277 WeakPolarHBondContact CG2-O 3.44Å; F263-A277 PolarHBondContact O-N 3.43Å; S264-A277 PolarHBondContact OG-O 2.95Å; A277-V289 HydrophobicContact CB-CG1 3.88Å; A277-K290 WeakPolarHBondContact CA-O 3.18Å
278I98.4Very high94.3Very high1 Ų152 Ų521%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-139.8139.3178.1-52.2162.8000106.9N55 I56 L70 T74 V289 K290 F292N55-I278 HydrophobicContact CB-CG2 3.91Å; I56-I278 WeakPolarHBondContact O-CG2 3.47Å; L70-I278 HydrophobicContact CD1-CD1 3.62Å; L70-I278 HydrophobicContact CD1-CG1 3.75Å; L70-I278 HydrophobicContact CD2-CD1 4.24Å; L70-I278 HydrophobicContact CG-CD1 3.47Å; L70-I278 VanDerWaalsContact CG-CD1 3.47Å; L70-I278 HydrophobicContact CG-CG1 4.2Å; T74-I278 HydrophobicContact CG2-CD1 3.53Å; I278-V289 WeakPolarHBondContact O-CA 3.46Å; I278-K290 PolarHBondContact N-O 2.95Å; I278-K290 PolarHBondContact O-N 3.36Å; I278-F292 HydrophobicContact CD1-CE1 4.25Å; I278-F292 HydrophobicContact CG1-CE1 4.05Å
279L98.6Very high94.5Very high0 Ų053.1 Ų53.10%030%0.301CS..EExtended strand (participates in β ladder)trans-94.8120.3170.5-170.772.3000109.8N55 I56 L239 V241 V260 I262 V281 C287 V289N55-L279 CarbonylContact C-O 3.56Å; I56-L279 HydrophobicContact CB-CB 4.27Å; I56-L279 HydrophobicContact CD1-CD2 4.37Å; I56-L279 PolarHBondContact N-O 3.06Å; I56-L279 PolarHBondContact O-N 3.48Å; L239-L279 HydrophobicContact CD2-CD2 4.1Å; V241-L279 HydrophobicContact CB-CD2 4.46Å; V241-L279 HydrophobicContact CG1-CD2 3.94Å; V241-L279 HydrophobicContact CG2-CD2 3.58Å; V260-L279 HydrophobicContact CG1-CD2 3.83Å; I262-L279 HydrophobicContact CD1-CB 3.87Å; I262-L279 HydrophobicContact CG1-CB 4.06Å; L279-V281 HydrophobicContact CD2-CG2 4.48Å; L279-C287 HydrophobicContact CD1-CB 4.07Å; L279-V289 HydrophobicContact CD1-CG2 3.76Å
280I98.3Very high94.9Very high48 Ų4854.2 Ų54.225%0.24630%0.299CS..EExtended strand (participates in β ladder)trans-97.3116.5176.3-53.5-178.9000107.7C287 T288 K290I280-C287 CarbonylContact O-C 3.57Å; I280-C287 WeakPolarHBondContact O-CA 3.38Å; I280-T288 WeakPolarHBondContact CB-O 3.35Å; I280-T288 PolarHBondContact N-O 3.05Å; I280-T288 PolarHBondContact O-N 2.92Å; I280-K290 HydrophobicContact CD1-CB 3.93Å; I280-K290 HydrophobicContact CD1-CD 4.19Å; I280-K290 HydrophobicContact CG1-CB 4.43Å
281V98.2Very high95.4Very high0 Ų055.3 Ų55.30%029%0.291CS..EExtended strand (participates in β ladder)trans-100.5117.2170.4-1750000107.6P53 V54 I56 I165 L279P53-V281 CarbonylContact C-O 3.52Å; P53-V281 WeakPolarHBondContact CA-O 3.35Å; P53-V281 WeakPolarHBondContact CB-O 3.2Å; V54-V281 HydrophobicContact CG1-CB 4.13Å; V54-V281 HydrophobicContact CG1-CG2 4.4Å; V54-V281 PolarHBondContact N-O 2.93Å; V54-V281 PolarHBondContact O-N 3.31Å; I56-V281 HydrophobicContact CD1-CG2 3.93Å; I165-V281 HydrophobicContact CD1-CG1 3.84Å; I165-V281 HydrophobicContact CD1-CG2 4.03Å; L279-V281 HydrophobicContact CD2-CG2 4.48Å
282D96Very high95.6Very high45 Ų4548.1 Ų48.124%0.24126%0.257CS..  trans-86.6-172.1-179.279.33.6000113.2N284 A285 T286D282-N284 VanDerWaalsContact C-N 3.25Å; D282-N284 PolarHBondContact O-N 3.08Å; D282-N284 WeakPolarHBondContact OD1-CA 3.37Å; D282-N284 PolarHBondContact OD1-N 2.68Å; D282-A285 PolarHBondContact O-N 3.29Å; D282-A285 PolarHBondContact OD1-N 3.37Å; D282-T286 PolarHBondContact N-O 3.14Å; D282-T286 WeakPolarHBondContact OD1-CB 3.28Å; D282-T286 PolarHBondContact OD1-N 2.74Å
283H92.1Very high95.6Very high144 Ų14452 Ų5267%0.66727%0.269SS*.THydrogen-bonded Turntrans-68-22.9-18061-80.3000113.6A285H283-A285 VanDerWaalsContact C-N 3.31Å
284N91.8Very high95.1Very high109 Ų10951.6 Ų51.658%0.58326%0.26SS*.THydrogen-bonded Turntrans-94.812.9176.2-61.1-39.3000111.9D282 T286D282-N284 VanDerWaalsContact C-N 3.25Å; D282-N284 PolarHBondContact O-N 3.08Å; D282-N284 WeakPolarHBondContact OD1-CA 3.37Å; D282-N284 PolarHBondContact OD1-N 2.68Å; N284-T286 PolarHBondContact O-N 2.69Å; N284-T286 VanDerWaalsContact O-N 3.14Å
285A92Very high94Very high44 Ų4455.1 Ų55.136%0.36428%0.283SS..  trans59.117-171.800000114.4D282 H283 C287D282-A285 PolarHBondContact O-N 3.29Å; D282-A285 PolarHBondContact OD1-N 3.37Å; H283-A285 VanDerWaalsContact C-N 3.31Å; A285-C287 PolarHBondContact O-N 2.72Å
286T95.3Very high92.8Very high74 Ų7460.1 Ų60.145%0.45431%0.314SS..  trans-71.8131173.9-60.50000109.1D282 N284D282-T286 PolarHBondContact N-O 3.14Å; D282-T286 WeakPolarHBondContact OD1-CB 3.28Å; D282-T286 PolarHBondContact OD1-N 2.74Å; N284-T286 PolarHBondContact O-N 2.69Å; N284-T286 VanDerWaalsContact O-N 3.14Å
287C97Very high91.2Very high47 Ų4765.6 Ų65.632%0.31835%0.348SS..EExtended strand (participates in β ladder)trans-100.9118.5-177.4-68.90000110.4L279 I280 A285L279-C287 HydrophobicContact CD1-CB 4.07Å; I280-C287 CarbonylContact O-C 3.57Å; I280-C287 WeakPolarHBondContact O-CA 3.38Å; A285-C287 PolarHBondContact O-N 2.72Å
288T97.4Very high88.9Confident81 Ų8174.8 Ų74.850%0.49739%0.388SS..EExtended strand (participates in β ladder)trans-119.9129.5175.1-60.40000110.2I280I280-T288 WeakPolarHBondContact CB-O 3.35Å; I280-T288 PolarHBondContact N-O 3.05Å; I280-T288 PolarHBondContact O-N 2.92Å
289V98Very high86.3Confident36 Ų3684.4 Ų84.422%0.21843%0.43CS..EExtended strand (participates in β ladder)trans-86.3125.8174-178.80000110.1Y251 F253 A277 I278 L279Y251-V289 HydrophobicContact CD1-CG1 3.53Å; Y251-V289 HydrophobicContact CD2-CB 4.47Å; Y251-V289 HydrophobicContact CD2-CG1 4.17Å; Y251-V289 HydrophobicContact CD2-CG2 3.97Å; Y251-V289 HydrophobicContact CE1-CG1 3.94Å; Y251-V289 HydrophobicContact CE2-CG2 4.36Å; Y251-V289 HydrophobicContact CG-CB 4.41Å; Y251-V289 HydrophobicContact CG-CG1 3.65Å; Y251-V289 HydrophobicContact CG-CG2 4.19Å; F253-V289 HydrophobicContact CE2-CG2 4.4Å; F253-V289 HydrophobicContact CZ-CG2 4.23Å; A277-V289 HydrophobicContact CB-CG1 3.88Å; I278-V289 WeakPolarHBondContact O-CA 3.46Å; L279-V289 HydrophobicContact CD1-CG2 3.76Å
290K97.1Very high83.5Confident74 Ų7497.7 Ų97.732%0.32249%0.487SS..EExtended strand (participates in β ladder)trans-105.3108.5169.7-171.4171.6-172169.50109.9M73 T74 A277 I278 I280M73-K290 PolarHBondContact O-NZ 3.41Å; T74-K290 HydrophobicContact CG2-CD 4.06Å; A277-K290 WeakPolarHBondContact CA-O 3.18Å; I278-K290 PolarHBondContact N-O 2.95Å; I278-K290 PolarHBondContact O-N 3.36Å; I280-K290 HydrophobicContact CD1-CB 3.93Å; I280-K290 HydrophobicContact CD1-CD 4.19Å; I280-K290 HydrophobicContact CG1-CB 4.43Å
291Q95.5Very high82.8Confident74 Ų74100.2 Ų100.235%0.34650%0.499SS..EExtended strand (participates in β ladder)trans-88148.4177.3-164.5-172.634.600111.4R249 D275 G276R249-Q291 PolarHBondContact O-NE2 3.38Å; D275-Q291 HydrophobicContact CB-CG 3.98Å; D275-Q291 VanDerWaalsContact CB-NE2 3.33Å; D275-Q291 PolarHBondContact OD2-NE2 2.92Å; G276-Q291 CarbonylContact O-C 3.43Å; G276-Q291 WeakPolarHBondContact O-CA 3.23Å
292F93Very high82Confident4 Ų4105.4 Ų105.42%0.01853%0.526CS..EExtended strand (participates in β ladder)trans-137.4121.917059.6-81.8000111.1L70 M73 S264 P266 G276 I278L70-F292 HydrophobicContact CD1-CE1 4.5Å; L70-F292 HydrophobicContact CD1-CZ 4.44Å; M73-F292 HydrophobicContact CE-CB 3.46Å; M73-F292 VanDerWaalsContact CE-CB 3.46Å; M73-F292 HydrophobicContact CE-CG 4.41Å; M73-F292 HydrophobicContact SD-CB 3.55Å; M73-F292 VanDerWaalsContact SD-CB 3.55Å; M73-F292 HydrophobicContact SD-CG 4.18Å; S264-F292 VanDerWaalsContact O-CZ 3.24Å; S264-F292 WeakPolarHBondContact O-CZ 3.39Å; P266-F292 HydrophobicContact CG-CD2 4.15Å; P266-F292 HydrophobicContact CG-CE2 3.71Å; G276-F292 VanDerWaalsContact C-CE1 3.46Å; G276-F292 PolarHBondContact N-O 2.67Å; G276-F292 VanDerWaalsContact O-CD1 3.26Å; G276-F292 WeakPolarHBondContact O-CD1 3.45Å; G276-F292 PolarHBondContact O-N 3.28Å; I278-F292 HydrophobicContact CD1-CE1 4.25Å; I278-F292 HydrophobicContact CG1-CE1 4.05Å
293R89.6Confident81.2Confident186 Ų186108.8 Ų108.870%0.70254%0.541SS*.PPolyproline II helixtrans-64.6152.5-174.9-68.6-171.5-178.6179.20.9112.7R69 D275R69-R293 PolarHBondContact NH1-O 2.91Å; R69-R293 PolarHBondContact NH2-O 3.48Å; D275-R293 VanDerWaalsContact OD1-CA 3.24Å; D275-R293 WeakPolarHBondContact OD1-CA 3.41Å
294R80.1Confident80.5Confident88 Ų88106.7 Ų106.733%0.33253%0.534SS..PPolyproline II helixtrans-52.9147.5166.962.9174-177.3162.5-13.6112.4P266 N267 D273 D275 V296P266-R294 HydrophobicContact CB-CB 4.32Å; N267-R294 HydrophobicContact CB-CB 3.8Å; D273-R294 VanDerWaalsContact CG-CZ 3.43Å; D273-R294 WeakPolarHBondContact OD1-CD 3.14Å; D273-R294 IonicContact OD1-CZ 3.73Å; D273-R294 IonicContact OD1-NE 2.8Å; D273-R294 PolarHBondContact OD1-NE 3.28Å; D273-R294 IonicContact OD1-NH1 3.3Å; D273-R294 PolarHBondContact OD1-NH1 3.09Å; D273-R294 IonicContact OD1-NH2 2.73Å; D273-R294 PolarHBondContact OD1-NH2 3.47Å; D273-R294 IonicContact OD2-CZ 3.46Å; D273-R294 IonicContact OD2-NH2 3.03Å; D273-R294 PolarHBondContact OD2-NH2 2.82Å; D275-R294 PolarHBondContact OD1-N 3.43Å; R294-V296 PolarHBondContact O-N 3.3Å
295P74.1Confident79.8Confident74 Ų74106.6 Ų106.648%0.48153%0.531SS..PPolyproline II helixtrans-55.7127.4170.4-21.132.3000109.8T297P295-T297 PolarHBondContact O-N 3.43Å
296V71.7Confident79Confident134 Ų134110.7 Ų110.781%0.81254%0.542SS*.  trans-69.7106.6174.8-177.70000107.6R294 K298R294-V296 PolarHBondContact O-N 3.3Å; V296-K298 PolarHBondContact O-N 2.96Å
297T63.7Low77.9Confident114 Ų114113.4 Ų113.470%0.69955%0.548SS*.  trans-67.1113.6163.340.40000106.8P295 K299P295-T297 PolarHBondContact O-N 3.43Å; T297-K299 PolarHBondContact O-N 3.39Å
298K49Very low76.4Confident194 Ų194118.5 Ų118.584%0.84357%0.566SS**  trans-56.6112.6164.5-74.6-172.7177.2-176.10105.8V296 K300V296-K298 PolarHBondContact O-N 2.96Å; K298-K300 PolarHBondContact O-N 2.78Å; K298-K300 VanDerWaalsContact O-N 3.13Å
299K45.2Very low74.6Confident203 Ų203121.6 Ų121.688%0.88357%0.572SS**  trans-53.8121.7161.6-77.3-173.4175.4-178.20105.4T297T297-K299 PolarHBondContact O-N 3.39Å
300K38.8Very low72.5Confident278 Ų278129.4 Ų129.4100%1.20960%0.604SS**  trans-59.60171.8-79.6-174175.8-178.70109.5K298K298-K300 PolarHBondContact O-N 2.78Å; K298-K300 VanDerWaalsContact O-N 3.13Å

Retrieved 300 of 300 residues in 535.7 ms (Link to these results)

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