X5CHT4_HUMAN Loading...

Interferon regulatory factor

AlphaFold DB , UniProt , Accession X5CHT4, Species HUMAN (Homo sapiens, Human), Gene IRF-1, Length 321 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
1M41.9Very low80.9Confident232 Ų232107.4 Ų107.4100%1.14353%0.53SS*.  0151.90-67.3-179.3179.700109.3
2P56Low82.2Confident121 Ų12198.4 Ų98.479%0.78649%0.486SS*.  trans-67.9131.5173.828.6-34.1000110.9T4P2-T4 PolarHBondContact O-N 3.02Å
3I63.1Low83.1Confident147 Ų14795.7 Ų95.775%0.75447%0.471SS*.  trans-75.8110.8179.3-60.5174000109.3R5I3-R5 HydrophobicContact CG2-CG 4.35Å; I3-R5 PolarHBondContact O-N 3.02Å
4T79.4Confident84Confident136 Ų13695.8 Ų95.883%0.83447%0.472SS*.  trans-7387.9175.650.20000110.9P2P2-T4 PolarHBondContact O-N 3.02Å
5R86.2Confident84.8Confident153 Ų15390.9 Ų90.958%0.57745%0.447SS*.PPolyproline II helixtrans-67.9142.9176.4-61179.3-173.6163.6-0.9111.3I3 T62I3-R5 HydrophobicContact CG2-CG 4.35Å; I3-R5 PolarHBondContact O-N 3.02Å; R5-T62 PolarHBondContact NH1-O 3.04Å
6M92.3Very high85.5Confident75 Ų7585.3 Ų85.337%0.36942%0.42SS..PPolyproline II helixtrans-68.9152.6178.8-178.8158.643.700111.3P10 W11 M14 H61M6-P10 HydrophobicContact CG-CB 4.25Å; M6-P10 HydrophobicContact CG-CG 3.83Å; M6-P10 HydrophobicContact SD-CB 3.97Å; M6-P10 HydrophobicContact SD-CG 4.22Å; M6-W11 HydrophobicContact CE-CB 4.02Å; M6-W11 HydrophobicContact CE-CG 4.47Å; M6-W11 HydrophobicContact CG-CB 4.13Å; M6-W11 HydrophobicContact SD-CB 4.47Å; M6-M14 HydrophobicContact CE-CE 3.76Å; M6-M14 HydrophobicContact CE-SD 3.95Å; M6-H61 PolarHBondContact O-CE1 3.09Å; M6-H61 VanDerWaalsContact O-CE1 3.25Å
7R93.1Very high86.1Confident212 Ų21284.6 Ų84.680%0.842%0.418SS*.PPolyproline II helixtrans-77.4157.7174.6-71.6-173.1175.8126.12.4111.2R9 P10 W11R7-R9 PolarHBondContact O-N 3.28Å; R7-P10 HydrophobicContact CB-CG 4.27Å; R7-P10 VanDerWaalsContact O-CD 3.32Å; R7-P10 WeakPolarHBondContact O-CD 3.44Å; R7-P10 WeakPolarHBondContact O-CG 3.36Å; R7-W11 WeakPolarHBondContact O-CB 3.05Å; R7-W11 PolarHBondContact O-N 3.45Å; R7-W11 VanDerWaalsContact O-N 3.13Å
8M94.5Very high86.6Confident12 Ų1282.3 Ų82.36%0.05941%0.411CS..Hα-helixtrans-58-45.3-172.1-171177.3-162.500114W11 L12 W58 F81 A84 M85 L88M8-W11 PolarHBondContact O-N 3.23Å; M8-L12 VanDerWaalsContact O-CB 3.27Å; M8-L12 WeakPolarHBondContact O-CB 3.49Å; M8-L12 PolarHBondContact O-N 3.5Å; M8-W58 HydrophobicContact CB-CH2 3.47Å; M8-W58 VanDerWaalsContact CB-CH2 3.47Å; M8-W58 HydrophobicContact CB-CZ2 3.88Å; M8-W58 HydrophobicContact CB-CZ3 4.11Å; M8-W58 HydrophobicContact CE-CD2 4.39Å; M8-W58 HydrophobicContact CE-CZ2 4.39Å; M8-W58 HydrophobicContact CG-CH2 3.68Å; M8-W58 HydrophobicContact CG-CZ2 3.82Å; M8-W58 HydrophobicContact CG-CZ3 4.04Å; M8-W58 HydrophobicContact SD-CZ2 4.05Å; M8-F81 HydrophobicContact CE-CD1 4.43Å; M8-F81 HydrophobicContact CE-CD2 3.41Å; M8-F81 VanDerWaalsContact CE-CD2 3.41Å; M8-F81 HydrophobicContact CE-CE1 4.33Å; M8-F81 HydrophobicContact CE-CE2 3.3Å; M8-F81 HydrophobicContact CE-CG 3.99Å; M8-F81 HydrophobicContact CE-CZ 3.79Å; M8-A84 HydrophobicContact CE-CB 3.92Å; M8-A84 HydrophobicContact SD-CB 3.31Å; M8-A84 WeakPolarHBondContact SD-CB 3.45Å; M8-M85 HydrophobicContact CE-CG 3.67Å; M8-M85 HydrophobicContact CE-SD 3.71Å; M8-M85 HydrophobicContact SD-CG 4.35Å; M8-M85 PolarHBondContact SD-N 3.35Å; M8-M85 HydrophobicContact SD-SD 4.2Å; M8-L88 HydrophobicContact CB-CD1 4.19Å; M8-L88 HydrophobicContact CG-CD1 4.22Å; M8-L88 HydrophobicContact SD-CD1 4.09Å
9R93.9Very high86.9Confident28 Ų2883.7 Ų83.711%0.10642%0.42CS..Hα-helixtrans-56.5-62.7179.9173176.2177.1158.911.4113.2R7 W11 L12 E13 D90 I91 M111 L112R7-R9 PolarHBondContact O-N 3.28Å; R9-W11 PolarHBondContact O-N 3.21Å; R9-L12 PolarHBondContact O-N 2.89Å; R9-E13 WeakPolarHBondContact O-CB 3.27Å; R9-E13 PolarHBondContact O-N 3.21Å; R9-D90 WeakPolarHBondContact CD-OD2 3.08Å; R9-D90 IonicContact CZ-OD2 2.69Å; R9-D90 IonicContact NE-OD2 3.29Å; R9-D90 PolarHBondContact NH1-O 3.23Å; R9-D90 IonicContact NH1-OD2 3.31Å; R9-D90 PolarHBondContact NH1-OD2 3.44Å; R9-I91 HydrophobicContact CB-CD1 4.24Å; R9-I91 HydrophobicContact CG-CD1 4.27Å; R9-M111 HydrophobicContact CG-SD 3.93Å; R9-L112 VanDerWaalsContact CZ-O 3.24Å; R9-L112 PolarHBondContact NH1-O 3.44Å; R9-L112 PolarHBondContact NH2-O 3.1Å
10P94.3Very high87.1Confident57 Ų5787 Ų8737%0.3743%0.434SS..Hα-helixtrans-64.3-28.2-179.223.9-34.1000112.7M6 R7 M14M6-P10 HydrophobicContact CG-CB 4.25Å; M6-P10 HydrophobicContact CG-CG 3.83Å; M6-P10 HydrophobicContact SD-CB 3.97Å; M6-P10 HydrophobicContact SD-CG 4.22Å; R7-P10 HydrophobicContact CB-CG 4.27Å; R7-P10 VanDerWaalsContact O-CD 3.32Å; R7-P10 WeakPolarHBondContact O-CD 3.44Å; R7-P10 WeakPolarHBondContact O-CG 3.36Å; P10-M14 WeakPolarHBondContact O-CB 3.31Å; P10-M14 PolarHBondContact O-N 3.36Å
11W95.5Very high87.4Confident8 Ų883.3 Ų83.33%0.0342%0.416CS..Hα-helixtrans-64.1-47.1170.5177.188.1000112M6 R7 M8 R9 M14 Q15 L54 W58 H61 F81M6-W11 HydrophobicContact CE-CB 4.02Å; M6-W11 HydrophobicContact CE-CG 4.47Å; M6-W11 HydrophobicContact CG-CB 4.13Å; M6-W11 HydrophobicContact SD-CB 4.47Å; R7-W11 WeakPolarHBondContact O-CB 3.05Å; R7-W11 PolarHBondContact O-N 3.45Å; R7-W11 VanDerWaalsContact O-N 3.13Å; M8-W11 PolarHBondContact O-N 3.23Å; R9-W11 PolarHBondContact O-N 3.21Å; W11-M14 WeakPolarHBondContact O-CB 3.34Å; W11-M14 PolarHBondContact O-N 3.3Å; W11-Q15 HydrophobicContact CD2-CG 3.95Å; W11-Q15 HydrophobicContact CE3-CG 4.03Å; W11-Q15 HydrophobicContact CH2-CG 3.66Å; W11-Q15 HydrophobicContact CZ2-CG 3.55Å; W11-Q15 HydrophobicContact CZ3-CG 3.89Å; W11-Q15 WeakPolarHBondContact O-CG 3.32Å; W11-Q15 PolarHBondContact O-N 3.37Å; W11-L54 HydrophobicContact CH2-CD1 3.72Å; W11-L54 HydrophobicContact CZ3-CD1 3.92Å; W11-W58 HydrophobicContact CB-CZ3 4.27Å; W11-W58 AromaticContact CD2-CE3 3.56Å; W11-W58 HydrophobicContact CD2-CE3 3.56Å; W11-W58 AromaticContact CD2-CZ3 3.81Å; W11-W58 HydrophobicContact CD2-CZ3 3.81Å; W11-W58 AromaticContact CE2-CE3 3.93Å; W11-W58 HydrophobicContact CE3-CD2 4.33Å; W11-W58 AromaticContact CE3-CE3 3.38Å; W11-W58 HydrophobicContact CE3-CE3 3.38Å; W11-W58 AromaticContact CE3-CZ3 3.79Å; W11-W58 HydrophobicContact CE3-CZ3 3.79Å; W11-W58 HydrophobicContact CG-CE3 4.23Å; W11-W58 HydrophobicContact CG-CZ3 4.02Å; W11-W58 HydrophobicContact CH2-CB 3.59Å; W11-W58 HydrophobicContact CH2-CD2 4.48Å; W11-W58 AromaticContact CH2-CE3 3.99Å; W11-W58 HydrophobicContact CH2-CE3 3.99Å; W11-W58 HydrophobicContact CH2-CG 4.39Å; W11-W58 HydrophobicContact CZ2-CB 4.2Å; W11-W58 HydrophobicContact CZ2-CE3 4.15Å; W11-W58 HydrophobicContact CZ3-CB 4.01Å; W11-W58 HydrophobicContact CZ3-CD2 4.18Å; W11-W58 AromaticContact CZ3-CE3 3.62Å; W11-W58 HydrophobicContact CZ3-CE3 3.62Å; W11-W58 HydrophobicContact CZ3-CG 4.38Å; W11-W58 HydrophobicContact CZ3-CZ3 4.46Å; W11-H61 AromaticContact CD1-CD2 3.59Å; W11-H61 AromaticContact CD1-CE1 3.4Å; W11-H61 VanDerWaalsContact CD1-CE1 3.4Å; W11-H61 AromaticContact CD1-CG 3.44Å; W11-H61 VanDerWaalsContact CD1-CG 3.44Å; W11-H61 AromaticContact CD1-ND1 3.34Å; W11-H61 VanDerWaalsContact CD1-ND1 3.34Å; W11-H61 AromaticContact CD1-NE2 3.58Å; W11-H61 AromaticContact CG-CE1 3.71Å; W11-H61 AromaticContact CG-ND1 3.66Å; W11-H61 HydrophobicContact CZ2-CB 4.47Å; W11-H61 AromaticContact NE1-CD2 3.82Å; W11-H61 AromaticContact NE1-CG 3.37Å; W11-H61 AromaticContact NE1-ND1 3.61Å; W11-F81 HydrophobicContact CZ3-CE2 4.2Å
12L95.8Very high89.8Confident0 Ų076.3 Ų76.30%039%0.388CS..Hα-helixtrans-67.1-41.4-179.6-178.560.2000111.4M8 R9 M14 Q15 I16 F34 L54 F81 M85 I91 M111M8-L12 VanDerWaalsContact O-CB 3.27Å; M8-L12 WeakPolarHBondContact O-CB 3.49Å; M8-L12 PolarHBondContact O-N 3.5Å; R9-L12 PolarHBondContact O-N 2.89Å; L12-M14 VanDerWaalsContact C-N 3.32Å; L12-M14 PolarHBondContact O-N 3.13Å; L12-Q15 PolarHBondContact O-N 2.95Å; L12-Q15 VanDerWaalsContact O-N 3.1Å; L12-I16 HydrophobicContact CG-CD1 4.11Å; L12-I16 WeakPolarHBondContact O-CD1 3.35Å; L12-I16 VanDerWaalsContact O-CG1 3.27Å; L12-I16 WeakPolarHBondContact O-CG1 3.43Å; L12-I16 PolarHBondContact O-N 3.04Å; L12-F34 HydrophobicContact CD2-CE2 3.78Å; L12-F34 HydrophobicContact CD2-CZ 3.7Å; L12-F34 HydrophobicContact CG-CE2 4.21Å; L12-F34 HydrophobicContact CG-CZ 4.4Å; L12-L54 HydrophobicContact CD1-CD1 4.17Å; L12-F81 HydrophobicContact CD1-CE2 4.37Å; L12-F81 HydrophobicContact CD1-CZ 4.17Å; L12-F81 HydrophobicContact CD2-CZ 4.46Å; L12-M85 HydrophobicContact CD2-CE 3.98Å; L12-M85 HydrophobicContact CD2-SD 3.49Å; L12-M85 WeakPolarHBondContact CD2-SD 3.42Å; L12-I91 HydrophobicContact CD2-CD1 4.34Å; L12-M111 HydrophobicContact CD2-CE 4.41Å; L12-M111 HydrophobicContact CG-CE 4.28Å
13E94.6Very high91.5Very high63 Ų6372 Ų7229%0.29437%0.366SS..Hα-helixtrans-55.3-46.7172.1-166.8-178.2147.400111.2R9 I16 N17 W26 M111R9-E13 WeakPolarHBondContact O-CB 3.27Å; R9-E13 PolarHBondContact O-N 3.21Å; E13-I16 PolarHBondContact O-N 2.63Å; E13-N17 VanDerWaalsContact O-CB 3.31Å; E13-N17 WeakPolarHBondContact O-CB 3.41Å; E13-N17 VanDerWaalsContact O-CG 3.29Å; E13-N17 PolarHBondContact O-N 3.24Å; E13-N17 PolarHBondContact O-ND2 2.97Å; E13-W26 HydrophobicContact CG-CH2 4.32Å; E13-W26 HydrophobicContact CG-CZ2 4.09Å; E13-M111 HydrophobicContact CB-CE 4.17Å; E13-M111 HydrophobicContact CB-SD 4.4Å
14M95.6Very high93.1Very high97 Ų9765.1 Ų65.148%0.47833%0.33SS..Hα-helixtrans-63.9-37.5173.4-172.8-174.775.800112.9M6 P10 W11 L12 S18M6-M14 HydrophobicContact CE-CE 3.76Å; M6-M14 HydrophobicContact CE-SD 3.95Å; P10-M14 WeakPolarHBondContact O-CB 3.31Å; P10-M14 PolarHBondContact O-N 3.36Å; W11-M14 WeakPolarHBondContact O-CB 3.34Å; W11-M14 PolarHBondContact O-N 3.3Å; L12-M14 VanDerWaalsContact C-N 3.32Å; L12-M14 PolarHBondContact O-N 3.13Å; M14-S18 WeakPolarHBondContact O-CB 3.42Å; M14-S18 PolarHBondContact O-N 3.37Å; M14-S18 VanDerWaalsContact O-N 3.08Å
15Q96.1Very high93.8Very high23 Ų2362 Ų6211%0.10731%0.308CS..Hα-helixtrans-64.9-46.2175.2-66.2-57.7-97.600112W11 L12 S18 I21 L24 L54W11-Q15 HydrophobicContact CD2-CG 3.95Å; W11-Q15 HydrophobicContact CE3-CG 4.03Å; W11-Q15 HydrophobicContact CH2-CG 3.66Å; W11-Q15 HydrophobicContact CZ2-CG 3.55Å; W11-Q15 HydrophobicContact CZ3-CG 3.89Å; W11-Q15 WeakPolarHBondContact O-CG 3.32Å; W11-Q15 PolarHBondContact O-N 3.37Å; L12-Q15 PolarHBondContact O-N 2.95Å; L12-Q15 VanDerWaalsContact O-N 3.1Å; Q15-S18 PolarHBondContact O-N 2.68Å; Q15-S18 PolarHBondContact O-OG 3.08Å; Q15-I21 HydrophobicContact CB-CD1 4.37Å; Q15-L24 HydrophobicContact CB-CD2 4Å; Q15-L54 HydrophobicContact CB-CD1 4.48Å; Q15-L54 HydrophobicContact CG-CD1 4.47Å
16I96.3Very high94.3Very high1 Ų156.6 Ų56.61%0.00529%0.288CS..Hα-helixtrans-62.6-47.8177.8-54.8151.5000109.9L12 E13 S18 N19 L24 W26 F34 M111L12-I16 HydrophobicContact CG-CD1 4.11Å; L12-I16 WeakPolarHBondContact O-CD1 3.35Å; L12-I16 VanDerWaalsContact O-CG1 3.27Å; L12-I16 WeakPolarHBondContact O-CG1 3.43Å; L12-I16 PolarHBondContact O-N 3.04Å; E13-I16 PolarHBondContact O-N 2.63Å; I16-S18 PolarHBondContact O-N 2.78Å; I16-S18 VanDerWaalsContact O-N 3.15Å; I16-N19 PolarHBondContact O-N 3.49Å; I16-N19 VanDerWaalsContact O-N 3.09Å; I16-N19 PolarHBondContact O-OD1 3.45Å; I16-L24 HydrophobicContact CB-CG 4.42Å; I16-L24 HydrophobicContact CG1-CD1 3.78Å; I16-L24 HydrophobicContact CG1-CD2 4.13Å; I16-L24 HydrophobicContact CG1-CG 3.81Å; I16-W26 HydrophobicContact CB-CZ2 4.23Å; I16-W26 HydrophobicContact CD1-CH2 4.04Å; I16-W26 HydrophobicContact CD1-CZ2 4.05Å; I16-W26 HydrophobicContact CD1-CZ3 4.45Å; I16-W26 HydrophobicContact CG2-CD2 3.86Å; I16-W26 HydrophobicContact CG2-CG 3.83Å; I16-W26 HydrophobicContact CG2-CZ2 4.23Å; I16-F34 HydrophobicContact CD1-CB 3.99Å; I16-F34 HydrophobicContact CD1-CD1 4.07Å; I16-F34 HydrophobicContact CD1-CD2 3.42Å; I16-F34 VanDerWaalsContact CD1-CD2 3.42Å; I16-F34 HydrophobicContact CD1-CE1 4.43Å; I16-F34 HydrophobicContact CD1-CE2 3.81Å; I16-F34 HydrophobicContact CD1-CG 3.55Å; I16-F34 HydrophobicContact CD1-CZ 4.29Å; I16-F34 HydrophobicContact CG1-CD2 4.1Å; I16-F34 HydrophobicContact CG1-CG 4.47Å; I16-F34 HydrophobicContact CG2-CB 4.48Å; I16-M111 HydrophobicContact CD1-CE 3.68Å
17N95.4Very high94.5Very high73 Ų7357.1 Ų57.139%0.3929%0.291SS..Hα-helixtrans-63.9-15.6177.5-74.9-31.3000114.3E13 W26E13-N17 VanDerWaalsContact O-CB 3.31Å; E13-N17 WeakPolarHBondContact O-CB 3.41Å; E13-N17 VanDerWaalsContact O-CG 3.29Å; E13-N17 PolarHBondContact O-N 3.24Å; E13-N17 PolarHBondContact O-ND2 2.97Å; N17-W26 PolarHBondContact OD1-NE1 2.7Å
18S94.7Very high94.6Very high43 Ų4349.3 Ų49.330%0.30127%0.265SS..THydrogen-bonded Turntrans-86.3-15.4175.578.50000113.6M14 Q15 I16 Q20M14-S18 WeakPolarHBondContact O-CB 3.42Å; M14-S18 PolarHBondContact O-N 3.37Å; M14-S18 VanDerWaalsContact O-N 3.08Å; Q15-S18 PolarHBondContact O-N 2.68Å; Q15-S18 PolarHBondContact O-OG 3.08Å; I16-S18 PolarHBondContact O-N 2.78Å; I16-S18 VanDerWaalsContact O-N 3.15Å; S18-Q20 PolarHBondContact O-N 2.75Å; S18-Q20 PolarHBondContact OG-NE2 2.87Å
19N93.1Very high94.5Very high109 Ų10955 Ų5558%0.58329%0.29SS*.  trans53.95.6-178.9-69.176.9000116.7I16 I21I16-N19 PolarHBondContact O-N 3.49Å; I16-N19 VanDerWaalsContact O-N 3.09Å; I16-N19 PolarHBondContact O-OD1 3.45Å; N19-I21 PolarHBondContact O-N 3.3Å
20Q91.3Very high94.5Very high149 Ų14962.3 Ų62.370%0.69633%0.325SS*.  trans-67.2-17.5-177.4-70.2173.398.800114.6S18S18-Q20 PolarHBondContact O-N 2.75Å; S18-Q20 PolarHBondContact OG-NE2 2.87Å
21I92.6Very high94.3Very high10 Ų1064.6 Ų64.65%0.05133%0.331CS..SBendtrans-105116.5-173.7-64.5168.9000108.3Q15 N19 G23 L24 L54Q15-I21 HydrophobicContact CB-CD1 4.37Å; N19-I21 PolarHBondContact O-N 3.3Å; I21-G23 PolarHBondContact O-N 3.07Å; I21-L24 HydrophobicContact CB-CB 3.89Å; I21-L24 HydrophobicContact CB-CD2 3.94Å; I21-L24 HydrophobicContact CD1-CD2 3.78Å; I21-L24 HydrophobicContact CG1-CD2 4.41Å; I21-L24 HydrophobicContact CG2-CB 3.74Å; I21-L24 HydrophobicContact CG2-CD2 4.18Å; I21-L24 PolarHBondContact O-N 3.2Å; I21-L24 VanDerWaalsContact O-N 3.1Å; I21-L54 HydrophobicContact CD1-CB 4.05Å; I21-L54 HydrophobicContact CD1-CD1 3.77Å; I21-L54 HydrophobicContact CG2-CB 4.21Å
22P91.8Very high94.3Very high85 Ų8567.1 Ų67.155%0.55234%0.344SS*.THydrogen-bonded Turntrans-61.4126.2-173.124.4-33.9000111.2L24 P37P22-L24 VanDerWaalsContact C-N 3.28Å; P22-L24 PolarHBondContact O-N 3.1Å; P22-P37 WeakPolarHBondContact O-CG 3.39Å
23G92Very high94.3Very high32 Ų3267.6 Ų67.633%0.3335%0.346SS..THydrogen-bonded Turntrans78.1-2.7179.800000116I21 I25 Q35I21-G23 PolarHBondContact O-N 3.07Å; G23-I25 PolarHBondContact O-N 2.83Å; G23-Q35 PolarHBondContact O-NE2 2.85Å
24L95.9Very high94.4Very high1 Ų164.6 Ų64.61%0.00533%0.332CS..  trans-84.495.7166.6178.770.7000108.7Q15 I16 I21 P22 F34 Q35 I36 L54Q15-L24 HydrophobicContact CB-CD2 4Å; I16-L24 HydrophobicContact CB-CG 4.42Å; I16-L24 HydrophobicContact CG1-CD1 3.78Å; I16-L24 HydrophobicContact CG1-CD2 4.13Å; I16-L24 HydrophobicContact CG1-CG 3.81Å; I21-L24 HydrophobicContact CB-CB 3.89Å; I21-L24 HydrophobicContact CB-CD2 3.94Å; I21-L24 HydrophobicContact CD1-CD2 3.78Å; I21-L24 HydrophobicContact CG1-CD2 4.41Å; I21-L24 HydrophobicContact CG2-CB 3.74Å; I21-L24 HydrophobicContact CG2-CD2 4.18Å; I21-L24 PolarHBondContact O-N 3.2Å; I21-L24 VanDerWaalsContact O-N 3.1Å; P22-L24 VanDerWaalsContact C-N 3.28Å; P22-L24 PolarHBondContact O-N 3.1Å; L24-F34 HydrophobicContact CD1-CD2 4.49Å; L24-Q35 WeakPolarHBondContact CA-O 3.41Å; L24-Q35 WeakPolarHBondContact CD1-O 3.26Å; L24-I36 HydrophobicContact CD1-CG1 3.98Å; L24-L54 HydrophobicContact CD1-CD2 4.17Å; L24-L54 HydrophobicContact CD2-CD1 3.98Å; L24-L54 HydrophobicContact CD2-CD2 4.44Å
25I95.7Very high94.5Very high71 Ų7161.9 Ų61.936%0.36432%0.318SS..EExtended strand (participates in β ladder)trans-139.3152.7-173.259.2174.6000111.6G23 F34 Q35G23-I25 PolarHBondContact O-N 2.83Å; I25-F34 CarbonylContact O-C 3.58Å; I25-F34 VanDerWaalsContact O-CA 3.26Å; I25-F34 WeakPolarHBondContact O-CA 3.47Å; I25-F34 WeakPolarHBondContact O-CB 3.32Å; I25-Q35 HydrophobicContact CD1-CG 4.36Å; I25-Q35 HydrophobicContact CG1-CG 3.55Å; I25-Q35 PolarHBondContact O-N 3.27Å
26W96.6Very high94.5Very high40 Ų4060.9 Ų60.915%0.15231%0.313CS..EExtended strand (participates in β ladder)trans-65132.7161.4-61.7109.4000109.3E13 I16 N17 K29 M32 F34 M111E13-W26 HydrophobicContact CG-CH2 4.32Å; E13-W26 HydrophobicContact CG-CZ2 4.09Å; I16-W26 HydrophobicContact CB-CZ2 4.23Å; I16-W26 HydrophobicContact CD1-CH2 4.04Å; I16-W26 HydrophobicContact CD1-CZ2 4.05Å; I16-W26 HydrophobicContact CD1-CZ3 4.45Å; I16-W26 HydrophobicContact CG2-CD2 3.86Å; I16-W26 HydrophobicContact CG2-CG 3.83Å; I16-W26 HydrophobicContact CG2-CZ2 4.23Å; N17-W26 PolarHBondContact OD1-NE1 2.7Å; W26-K29 HydrophobicContact CB-CB 4.37Å; W26-K29 HydrophobicContact CG-CB 4.35Å; W26-K29 HydrophobicContact CG-CG 4.39Å; W26-M32 HydrophobicContact CH2-SD 3.81Å; W26-M32 HydrophobicContact CZ2-SD 4.49Å; W26-M32 HydrophobicContact CZ3-CB 4.12Å; W26-M32 HydrophobicContact CZ3-SD 3.97Å; W26-F34 HydrophobicContact CD2-CB 4.34Å; W26-F34 HydrophobicContact CE3-CB 3.74Å; W26-F34 HydrophobicContact CE3-CD1 4.4Å; W26-F34 HydrophobicContact CE3-CG 4.46Å; W26-F34 HydrophobicContact CZ3-CB 4.06Å; W26-F34 AromaticContact CZ3-CD1 3.87Å; W26-F34 HydrophobicContact CZ3-CD1 3.87Å; W26-F34 HydrophobicContact CZ3-CG 4.29Å; W26-M111 HydrophobicContact CH2-CE 3.87Å; W26-M111 HydrophobicContact CH2-SD 4.25Å; W26-M111 HydrophobicContact CZ3-CE 4.47Å
27I95.5Very high94.5Very high86 Ų8662.2 Ų62.244%0.44132%0.322SS..EExtended strand (participates in β ladder)trans-87.5-47.8165.1-60.8-179.2000108.5I33 Q35 V108I27-I33 HydrophobicContact CB-CG2 4.21Å; I27-I33 HydrophobicContact CD1-CG2 4.5Å; I27-I33 PolarHBondContact N-O 3.13Å; I27-Q35 HydrophobicContact CD1-CB 4.07Å; I27-Q35 HydrophobicContact CD1-CG 4.23Å; I27-Q35 HydrophobicContact CG1-CB 4.35Å; I27-Q35 HydrophobicContact CG1-CG 4.05Å; I27-V108 HydrophobicContact CD1-CB 4.49Å; I27-V108 HydrophobicContact CD1-CG1 3.92Å; I27-V108 HydrophobicContact CD1-CG2 3.73Å
28N94.8Very high94.4Very high48 Ų4860.5 Ų60.526%0.25731%0.31SS..EExtended strand (participates in β ladder)trans-133.4116.4170.2-174.5-9.1000108.9E30 E31 M32 I33N28-E30 WeakPolarHBondContact OD1-CB 3.44Å; N28-E30 PolarHBondContact OD1-N 3.26Å; N28-E31 HydrophobicContact CB-CB 4.28Å; N28-E31 VanDerWaalsContact ND2-CG 3.31Å; N28-E31 WeakPolarHBondContact ND2-CG 3.45Å; N28-E31 PolarHBondContact ND2-OE2 3.25Å; N28-E31 PolarHBondContact OD1-N 2.99Å; N28-M32 PolarHBondContact O-N 3.35Å; N28-I33 HydrophobicContact CB-CB 4.33Å; N28-I33 PolarHBondContact N-O 2.89Å; N28-I33 VanDerWaalsContact N-O 3.08Å; N28-I33 PolarHBondContact O-N 3.4Å
29K93.3Very high94.4Very high131 Ų13159.9 Ų59.957%0.5730%0.302SS*.THydrogen-bonded Turntrans-76.3-25.5-179.9-169.1175.2179.7179.90112.6W26W26-K29 HydrophobicContact CB-CB 4.37Å; W26-K29 HydrophobicContact CG-CB 4.35Å; W26-K29 HydrophobicContact CG-CG 4.39Å
30E92.6Very high94.4Very high181 Ų18160.7 Ų60.785%0.84630%0.302SS*.THydrogen-bonded Turntrans-75.4-46.2-179.6-57.5-178.7175.500110.9N28 M32N28-E30 WeakPolarHBondContact OD1-CB 3.44Å; N28-E30 PolarHBondContact OD1-N 3.26Å; E30-M32 PolarHBondContact O-N 2.82Å
31E91.8Very high94.4Very high105 Ų10556.3 Ų56.349%0.49129%0.292SS..THydrogen-bonded Turntrans-79.6-0.1173.1-67.7-177.6112.700113.7N28 I33 R110N28-E31 HydrophobicContact CB-CB 4.28Å; N28-E31 VanDerWaalsContact ND2-CG 3.31Å; N28-E31 WeakPolarHBondContact ND2-CG 3.45Å; N28-E31 PolarHBondContact ND2-OE2 3.25Å; N28-E31 PolarHBondContact OD1-N 2.99Å; E31-I33 VanDerWaalsContact C-N 3.28Å; E31-I33 HydrophobicContact CB-CD1 3.78Å; E31-I33 HydrophobicContact CB-CG1 3.78Å; E31-I33 PolarHBondContact O-N 2.82Å; E31-I33 WeakPolarHBondContact OE2-CD1 3.31Å; E31-R110 WeakPolarHBondContact O-CG 3.41Å
32M95.1Very high94.4Very high62 Ų6259.9 Ų59.931%0.30532%0.322SS..THydrogen-bonded Turntrans53.840.5-175.6-62.5-77.5169.200113.4W26 N28 E30 R110 M111W26-M32 HydrophobicContact CH2-SD 3.81Å; W26-M32 HydrophobicContact CZ2-SD 4.49Å; W26-M32 HydrophobicContact CZ3-CB 4.12Å; W26-M32 HydrophobicContact CZ3-SD 3.97Å; N28-M32 PolarHBondContact O-N 3.35Å; E30-M32 PolarHBondContact O-N 2.82Å; M32-R110 WeakPolarHBondContact O-CA 3.44Å; M32-M111 HydrophobicContact CB-CB 3.97Å; M32-M111 PolarHBondContact O-N 3.35Å
33I96.3Very high94.4Very high9 Ų961.6 Ų61.65%0.04632%0.321CS..EExtended strand (participates in β ladder)trans-96127.5176.7-57.2176.3000109.5I27 N28 E31 V108 Y109 R110I27-I33 HydrophobicContact CB-CG2 4.21Å; I27-I33 HydrophobicContact CD1-CG2 4.5Å; I27-I33 PolarHBondContact N-O 3.13Å; N28-I33 HydrophobicContact CB-CB 4.33Å; N28-I33 PolarHBondContact N-O 2.89Å; N28-I33 VanDerWaalsContact N-O 3.08Å; N28-I33 PolarHBondContact O-N 3.4Å; E31-I33 VanDerWaalsContact C-N 3.28Å; E31-I33 HydrophobicContact CB-CD1 3.78Å; E31-I33 HydrophobicContact CB-CG1 3.78Å; E31-I33 PolarHBondContact O-N 2.82Å; E31-I33 WeakPolarHBondContact OE2-CD1 3.31Å; I33-V108 HydrophobicContact CG2-CG1 3.38Å; I33-Y109 WeakPolarHBondContact CA-O 3.19Å; I33-R110 HydrophobicContact CG1-CB 4.13Å; I33-R110 HydrophobicContact CG1-CG 3.92Å
34F96.9Very high94.3Very high0 Ų069 Ų690%035%0.347CS..EExtended strand (participates in β ladder)trans-140.4156.5-178.265.7-78.5000111.6L12 I16 L24 I25 W26 I36 M85 I91 V108 Y109 M111L12-F34 HydrophobicContact CD2-CE2 3.78Å; L12-F34 HydrophobicContact CD2-CZ 3.7Å; L12-F34 HydrophobicContact CG-CE2 4.21Å; L12-F34 HydrophobicContact CG-CZ 4.4Å; I16-F34 HydrophobicContact CD1-CB 3.99Å; I16-F34 HydrophobicContact CD1-CD1 4.07Å; I16-F34 HydrophobicContact CD1-CD2 3.42Å; I16-F34 VanDerWaalsContact CD1-CD2 3.42Å; I16-F34 HydrophobicContact CD1-CE1 4.43Å; I16-F34 HydrophobicContact CD1-CE2 3.81Å; I16-F34 HydrophobicContact CD1-CG 3.55Å; I16-F34 HydrophobicContact CD1-CZ 4.29Å; I16-F34 HydrophobicContact CG1-CD2 4.1Å; I16-F34 HydrophobicContact CG1-CG 4.47Å; I16-F34 HydrophobicContact CG2-CB 4.48Å; L24-F34 HydrophobicContact CD1-CD2 4.49Å; I25-F34 CarbonylContact O-C 3.58Å; I25-F34 VanDerWaalsContact O-CA 3.26Å; I25-F34 WeakPolarHBondContact O-CA 3.47Å; I25-F34 WeakPolarHBondContact O-CB 3.32Å; W26-F34 HydrophobicContact CD2-CB 4.34Å; W26-F34 HydrophobicContact CE3-CB 3.74Å; W26-F34 HydrophobicContact CE3-CD1 4.4Å; W26-F34 HydrophobicContact CE3-CG 4.46Å; W26-F34 HydrophobicContact CZ3-CB 4.06Å; W26-F34 AromaticContact CZ3-CD1 3.87Å; W26-F34 HydrophobicContact CZ3-CD1 3.87Å; W26-F34 HydrophobicContact CZ3-CG 4.29Å; F34-I36 HydrophobicContact CD2-CG1 4.14Å; F34-I36 HydrophobicContact CE2-CD1 3.96Å; F34-I36 HydrophobicContact CE2-CG1 3.9Å; F34-M85 HydrophobicContact CZ-CE 4.23Å; F34-I91 HydrophobicContact CE1-CG2 4.37Å; F34-I91 HydrophobicContact CZ-CG2 4.29Å; F34-V108 WeakPolarHBondContact O-CA 3.23Å; F34-Y109 VanDerWaalsContact CD1-O 3.27Å; F34-Y109 WeakPolarHBondContact CD1-O 3.39Å; F34-Y109 HydrophobicContact CE2-CD2 4.43Å; F34-Y109 VanDerWaalsContact CZ-CB 3.43Å; F34-Y109 HydrophobicContact CZ-CG 4.25Å; F34-Y109 PolarHBondContact N-O 3.07Å; F34-Y109 PolarHBondContact O-N 3.06Å; F34-M111 HydrophobicContact CD1-CE 4.04Å; F34-M111 HydrophobicContact CD1-CG 4.18Å; F34-M111 HydrophobicContact CE1-CE 3.52Å; F34-M111 HydrophobicContact CE1-CG 3.55Å; F34-M111 HydrophobicContact CE1-SD 4.42Å; F34-M111 HydrophobicContact CZ-CE 3.8Å; F34-M111 HydrophobicContact CZ-CG 4.45Å
35Q96.8Very high93.9Very high41 Ų4171.4 Ų71.419%0.19237%0.372CS..EExtended strand (participates in β ladder)trans-109.6148.9175.550.216366.200112.7G23 L24 I25 I27 R107 V108G23-Q35 PolarHBondContact O-NE2 2.85Å; L24-Q35 WeakPolarHBondContact CA-O 3.41Å; L24-Q35 WeakPolarHBondContact CD1-O 3.26Å; I25-Q35 HydrophobicContact CD1-CG 4.36Å; I25-Q35 HydrophobicContact CG1-CG 3.55Å; I25-Q35 PolarHBondContact O-N 3.27Å; I27-Q35 HydrophobicContact CD1-CB 4.07Å; I27-Q35 HydrophobicContact CD1-CG 4.23Å; I27-Q35 HydrophobicContact CG1-CB 4.35Å; I27-Q35 HydrophobicContact CG1-CG 4.05Å; Q35-R107 CarbonylContact C-O 3.46Å; Q35-R107 VanDerWaalsContact CA-O 3.32Å; Q35-R107 WeakPolarHBondContact CA-O 3.37Å; Q35-V108 HydrophobicContact CB-CG2 4.36Å
36I96.8Very high93.8Very high1 Ų171.1 Ų71.11%0.00537%0.366CS..EExtended strand (participates in β ladder)trans-121.7126.9171.3-48.9-178.7000109L24 F34 W38 L54 F81 M85 V106 R107 Y109L24-I36 HydrophobicContact CD1-CG1 3.98Å; F34-I36 HydrophobicContact CD2-CG1 4.14Å; F34-I36 HydrophobicContact CE2-CD1 3.96Å; F34-I36 HydrophobicContact CE2-CG1 3.9Å; I36-W38 HydrophobicContact CB-CE3 4.27Å; I36-W38 HydrophobicContact CB-CZ3 4.46Å; I36-W38 HydrophobicContact CD1-CZ3 4.44Å; I36-W38 HydrophobicContact CG2-CE3 3.92Å; I36-W38 HydrophobicContact CG2-CZ3 4.02Å; I36-W38 PolarHBondContact O-N 3.42Å; I36-L54 HydrophobicContact CD1-CD2 4.38Å; I36-L54 HydrophobicContact CG2-CD2 3.51Å; I36-F81 HydrophobicContact CD1-CE1 3.75Å; I36-F81 HydrophobicContact CD1-CZ 3.83Å; I36-M85 HydrophobicContact CD1-CE 4.21Å; I36-V106 WeakPolarHBondContact O-CA 3.45Å; I36-R107 PolarHBondContact N-O 3.34Å; I36-R107 PolarHBondContact O-N 3.42Å; I36-Y109 HydrophobicContact CD1-CD2 3.68Å; I36-Y109 HydrophobicContact CD1-CE2 3.7Å; I36-Y109 HydrophobicContact CG1-CD2 3.95Å; I36-Y109 HydrophobicContact CG1-CE2 4.2Å
37P94.8Very high93.6Very high29 Ų2971.1 Ų71.119%0.18837%0.369CS..EExtended strand (participates in β ladder)trans-58.6131.1168.6-21.432.8000111.2P22P22-P37 WeakPolarHBondContact O-CG 3.39Å
38W95Very high93.5Very high38 Ų3869.2 Ų69.214%0.14436%0.36CS..  trans-127.515.2-172.3-145.8-97.5000114.7I36 F55 K78 F81 R82 A105 R107I36-W38 HydrophobicContact CB-CE3 4.27Å; I36-W38 HydrophobicContact CB-CZ3 4.46Å; I36-W38 HydrophobicContact CD1-CZ3 4.44Å; I36-W38 HydrophobicContact CG2-CE3 3.92Å; I36-W38 HydrophobicContact CG2-CZ3 4.02Å; I36-W38 PolarHBondContact O-N 3.42Å; W38-F55 HydrophobicContact CE3-CE1 4.42Å; W38-F55 HydrophobicContact CE3-CZ 4.07Å; W38-F55 HydrophobicContact CH2-CE1 4.3Å; W38-F55 AromaticContact CZ3-CE1 3.88Å; W38-F55 HydrophobicContact CZ3-CE1 3.88Å; W38-F55 AromaticContact CZ3-CZ 3.98Å; W38-F55 HydrophobicContact CZ3-CZ 3.98Å; W38-K78 PolarHBondContact O-NZ 3.43Å; W38-F81 AromaticContact CH2-CD1 3.95Å; W38-F81 HydrophobicContact CH2-CD1 3.95Å; W38-F81 HydrophobicContact CH2-CE1 4.21Å; W38-F81 HydrophobicContact CZ3-CD1 4.12Å; W38-F81 HydrophobicContact CZ3-CE1 4.01Å; W38-R82 HydrophobicContact CH2-CB 4.28Å; W38-R82 HydrophobicContact CZ2-CB 4.13Å; W38-R82 HydrophobicContact CZ2-CG 4.24Å; W38-A105 PolarHBondContact N-O 2.99Å; W38-R107 HydrophobicContact CB-CG 3.98Å; W38-R107 VanDerWaalsContact CD2-CD 3.49Å; W38-R107 HydrophobicContact CD2-CG 4.1Å; W38-R107 HydrophobicContact CE3-CG 4.41Å; W38-R107 HydrophobicContact CG-CG 3.9Å
39K94.3Very high93.3Very high29 Ų2971.6 Ų71.613%0.12637%0.372CS..  trans-41.4138.2178.4-166-177.8178-175.10113.1G45 W46 D51 K78 S103K39-G45 VanDerWaalsContact NZ-C 3.33Å; K39-G45 PolarHBondContact NZ-O 3.45Å; K39-W46 HydrophobicContact CD-CB 4.47Å; K39-D51 WeakPolarHBondContact CD-OD1 3.46Å; K39-D51 WeakPolarHBondContact CD-OD2 3.27Å; K39-D51 IonicContact NZ-OD1 2.61Å; K39-D51 IonicContact NZ-OD2 2.64Å; K39-D51 PolarHBondContact NZ-OD2 3.38Å; K39-K78 PolarHBondContact O-NZ 2.98Å; K39-S103 WeakPolarHBondContact CD-O 3.35Å; K39-S103 WeakPolarHBondContact CG-O 3.46Å
40H93.3Very high93.2Very high126 Ų12671.8 Ų71.858%0.58337%0.373SS*.  trans-80.3138.3-177.3-167.8-96.1000110.6A42 K43H40-A42 VanDerWaalsContact C-N 3.31Å; H40-A42 PolarHBondContact ND1-N 2.99Å; H40-A42 PolarHBondContact O-N 3.3Å; H40-K43 HydrophobicContact CB-CG 4.1Å; H40-K43 WeakPolarHBondContact O-CB 3.31Å; H40-K43 PolarHBondContact O-N 3.12Å; H40-K43 VanDerWaalsContact O-N 3.11Å
41A91.8Very high93.3Very high58 Ų5864.8 Ų64.848%0.47934%0.341SS..THydrogen-bonded Turntrans-62.5-37.1-174.300000113K43 W46A41-K43 PolarHBondContact O-N 3.46Å; A41-K43 VanDerWaalsContact O-N 3.15Å; A41-W46 HydrophobicContact CB-CD2 4.08Å; A41-W46 HydrophobicContact CB-CE3 4.35Å; A41-W46 HydrophobicContact CB-CH2 4.46Å; A41-W46 HydrophobicContact CB-CZ2 4.17Å
42A91.4Very high93.4Very high84 Ų8459.8 Ų59.869%0.69432%0.318SS*.THydrogen-bonded Turntrans-83.134.1174.200000113.7H40H40-A42 VanDerWaalsContact C-N 3.31Å; H40-A42 PolarHBondContact ND1-N 2.99Å; H40-A42 PolarHBondContact O-N 3.3Å
43K91.2Very high93.4Very high122 Ų12258.5 Ų58.553%0.5332%0.315SS..SBendtrans-112.6142.6168.9-79.2-69.4-178-172.10109.6H40 A41 W46H40-K43 HydrophobicContact CB-CG 4.1Å; H40-K43 WeakPolarHBondContact O-CB 3.31Å; H40-K43 PolarHBondContact O-N 3.12Å; H40-K43 VanDerWaalsContact O-N 3.11Å; A41-K43 PolarHBondContact O-N 3.46Å; A41-K43 VanDerWaalsContact O-N 3.15Å; K43-W46 VanDerWaalsContact O-CB 3.23Å; K43-W46 WeakPolarHBondContact O-CB 3.34Å; K43-W46 PolarHBondContact O-N 3.43Å; K43-W46 VanDerWaalsContact O-N 3.17Å
44H89.7Confident93.4Very high186 Ų18658.3 Ų58.386%0.86131%0.314SS*.THydrogen-bonded Turntrans-53.4142.2-179.7-17882.2000111.9W46H44-W46 PolarHBondContact O-N 2.99Å
45G88.7Confident93.4Very high52 Ų5258.6 Ų58.654%0.53632%0.315SS..THydrogen-bonded Turntrans64.618.5-176.800000115K39K39-G45 VanDerWaalsContact NZ-C 3.33Å; K39-G45 PolarHBondContact NZ-O 3.45Å
46W93.7Very high93.3Very high65 Ų6560.5 Ų60.525%0.24632%0.321CS..  trans-72.9131.1168.9-177.792.1000110.6K39 A41 K43 H44 I48 D51 A52 P74K39-W46 HydrophobicContact CD-CB 4.47Å; A41-W46 HydrophobicContact CB-CD2 4.08Å; A41-W46 HydrophobicContact CB-CE3 4.35Å; A41-W46 HydrophobicContact CB-CH2 4.46Å; A41-W46 HydrophobicContact CB-CZ2 4.17Å; K43-W46 VanDerWaalsContact O-CB 3.23Å; K43-W46 WeakPolarHBondContact O-CB 3.34Å; K43-W46 PolarHBondContact O-N 3.43Å; K43-W46 VanDerWaalsContact O-N 3.17Å; H44-W46 PolarHBondContact O-N 2.99Å; W46-I48 HydrophobicContact CH2-CB 3.95Å; W46-I48 HydrophobicContact CH2-CG1 4.2Å; W46-I48 HydrophobicContact CZ3-CB 4.05Å; W46-D51 WeakPolarHBondContact CA-OD2 3.33Å; W46-D51 VanDerWaalsContact CD1-CB 3.49Å; W46-D51 HydrophobicContact CD2-CB 4.44Å; W46-D51 HydrophobicContact CG-CB 4.22Å; W46-A52 HydrophobicContact CH2-CB 4.42Å; W46-A52 HydrophobicContact CZ2-CB 4.04Å; W46-P74 HydrophobicContact CH2-CB 3.9Å; W46-P74 HydrophobicContact CH2-CG 3.76Å; W46-P74 HydrophobicContact CZ2-CB 4.29Å
47D93.1Very high93.2Very high40 Ų4062.1 Ų62.121%0.21433%0.332CS..  trans-128.6123.5-174.7174.4-4.5000110.3N49 K50 D51D47-N49 PolarHBondContact O-N 3.45Å; D47-N49 WeakPolarHBondContact OD1-CB 3.49Å; D47-N49 PolarHBondContact OD1-N 3.22Å; D47-N49 PolarHBondContact OD1-ND2 3.19Å; D47-K50 HydrophobicContact CB-CB 4.22Å; D47-K50 HydrophobicContact CB-CD 4.31Å; D47-K50 HydrophobicContact CB-CG 4.31Å; D47-K50 PolarHBondContact O-N 2.92Å; D47-K50 VanDerWaalsContact O-N 3.12Å; D47-K50 WeakPolarHBondContact OD2-CD 3.27Å; D47-K50 WeakPolarHBondContact OD2-CE 3.36Å; D47-K50 WeakPolarHBondContact OD2-CG 3.43Å; D47-K50 IonicContact OD2-NZ 3.8Å; D47-K50 PolarHBondContact OD2-NZ 2.97Å; D47-D51 PolarHBondContact N-OD2 3.4Å; D47-D51 WeakPolarHBondContact O-CB 3.43Å; D47-D51 PolarHBondContact O-N 3.34Å
48I91.9Very high93.3Very high46 Ų4661.9 Ų61.924%0.23633%0.327CS..Hα-helixtrans-56.4-32.9179.7-167.1174.5000113.1W46 A52 P72 P74 W77W46-I48 HydrophobicContact CH2-CB 3.95Å; W46-I48 HydrophobicContact CH2-CG1 4.2Å; W46-I48 HydrophobicContact CZ3-CB 4.05Å; I48-A52 HydrophobicContact CG1-CB 4.15Å; I48-A52 VanDerWaalsContact O-CB 3.29Å; I48-A52 WeakPolarHBondContact O-CB 3.37Å; I48-A52 PolarHBondContact O-N 2.9Å; I48-P72 HydrophobicContact CD1-CB 3.98Å; I48-P72 HydrophobicContact CD1-CG 4.47Å; I48-P74 HydrophobicContact CD1-CB 4.18Å; I48-P74 HydrophobicContact CD1-CG 3.79Å; I48-P74 HydrophobicContact CG1-CB 4.08Å; I48-P74 HydrophobicContact CG1-CG 4.09Å; I48-W77 HydrophobicContact CD1-CZ3 4.38Å; I48-W77 HydrophobicContact CG1-CZ3 4.49Å
49N91.3Very high93.3Very high98 Ų9860.2 Ų60.252%0.52432%0.322SS..Hα-helixtrans-79.3-25.2-177.7-60.9-65.9000112.4D47D47-N49 PolarHBondContact O-N 3.45Å; D47-N49 WeakPolarHBondContact OD1-CB 3.49Å; D47-N49 PolarHBondContact OD1-N 3.22Å; D47-N49 PolarHBondContact OD1-ND2 3.19Å
50K91.9Very high93.3Very high135 Ų13562.8 Ų62.859%0.58734%0.336SS*.Hα-helixtrans-98.3-61.8179.3-60177.9-177.1104.40111D47 A52D47-K50 HydrophobicContact CB-CB 4.22Å; D47-K50 HydrophobicContact CB-CD 4.31Å; D47-K50 HydrophobicContact CB-CG 4.31Å; D47-K50 PolarHBondContact O-N 2.92Å; D47-K50 VanDerWaalsContact O-N 3.12Å; D47-K50 WeakPolarHBondContact OD2-CD 3.27Å; D47-K50 WeakPolarHBondContact OD2-CE 3.36Å; D47-K50 WeakPolarHBondContact OD2-CG 3.43Å; D47-K50 IonicContact OD2-NZ 3.8Å; D47-K50 PolarHBondContact OD2-NZ 2.97Å; K50-A52 PolarHBondContact O-N 3.21Å
51D92.9Very high93.4Very high34 Ų3459 Ų5918%0.18232%0.318CS..Hα-helixtrans-76.1-19.1-173-69.1-65.9000114K39 W46 D47 F55K39-D51 WeakPolarHBondContact CD-OD1 3.46Å; K39-D51 WeakPolarHBondContact CD-OD2 3.27Å; K39-D51 IonicContact NZ-OD1 2.61Å; K39-D51 IonicContact NZ-OD2 2.64Å; K39-D51 PolarHBondContact NZ-OD2 3.38Å; W46-D51 WeakPolarHBondContact CA-OD2 3.33Å; W46-D51 VanDerWaalsContact CD1-CB 3.49Å; W46-D51 HydrophobicContact CD2-CB 4.44Å; W46-D51 HydrophobicContact CG-CB 4.22Å; D47-D51 PolarHBondContact N-OD2 3.4Å; D47-D51 WeakPolarHBondContact O-CB 3.43Å; D47-D51 PolarHBondContact O-N 3.34Å; D51-F55 WeakPolarHBondContact O-CE2 3.36Å
52A94.9Very high93.4Very high1 Ų157.8 Ų57.81%0.00831%0.305CS..THydrogen-bonded Turntrans-110.35.7176.300000114.9W46 I48 K50 L54 F55 R56 P74W46-A52 HydrophobicContact CH2-CB 4.42Å; W46-A52 HydrophobicContact CZ2-CB 4.04Å; I48-A52 HydrophobicContact CG1-CB 4.15Å; I48-A52 VanDerWaalsContact O-CB 3.29Å; I48-A52 WeakPolarHBondContact O-CB 3.37Å; I48-A52 PolarHBondContact O-N 2.9Å; K50-A52 PolarHBondContact O-N 3.21Å; A52-L54 PolarHBondContact O-N 3.45Å; A52-F55 HydrophobicContact CB-CD2 4.3Å; A52-F55 PolarHBondContact O-N 2.64Å; A52-F55 VanDerWaalsContact O-N 3.11Å; A52-R56 WeakPolarHBondContact O-CB 3.26Å; A52-R56 PolarHBondContact O-N 2.91Å; A52-P74 HydrophobicContact CB-CB 3.82Å
53C95.1Very high93.5Very high34 Ų3455.6 Ų55.623%0.2329%0.291CS..Hα-helixtrans-53.3-50.6-177.4-173.80000112.8F55 R56 S57C53-F55 VanDerWaalsContact C-N 3.35Å; C53-F55 PolarHBondContact O-N 2.69Å; C53-R56 WeakPolarHBondContact O-CB 3.39Å; C53-R56 PolarHBondContact O-N 3.02Å; C53-S57 PolarHBondContact O-N 2.87Å; C53-S57 PolarHBondContact O-OG 3.27Å
54L95.9Very high93.5Very high6 Ų658.8 Ų58.83%0.03130%0.3CS..Hα-helixtrans-58.1-44.4177.117960.7000113W11 L12 Q15 I21 L24 I36 A52 S57 W58 F81W11-L54 HydrophobicContact CH2-CD1 3.72Å; W11-L54 HydrophobicContact CZ3-CD1 3.92Å; L12-L54 HydrophobicContact CD1-CD1 4.17Å; Q15-L54 HydrophobicContact CB-CD1 4.48Å; Q15-L54 HydrophobicContact CG-CD1 4.47Å; I21-L54 HydrophobicContact CD1-CB 4.05Å; I21-L54 HydrophobicContact CD1-CD1 3.77Å; I21-L54 HydrophobicContact CG2-CB 4.21Å; L24-L54 HydrophobicContact CD1-CD2 4.17Å; L24-L54 HydrophobicContact CD2-CD1 3.98Å; L24-L54 HydrophobicContact CD2-CD2 4.44Å; I36-L54 HydrophobicContact CD1-CD2 4.38Å; I36-L54 HydrophobicContact CG2-CD2 3.51Å; A52-L54 PolarHBondContact O-N 3.45Å; L54-S57 PolarHBondContact O-N 2.88Å; L54-W58 PolarHBondContact O-N 3.46Å; L54-F81 HydrophobicContact CD1-CE2 4.29Å; L54-F81 HydrophobicContact CD2-CE1 4.32Å; L54-F81 HydrophobicContact CD2-CE2 4.02Å; L54-F81 HydrophobicContact CD2-CZ 3.74Å; L54-F81 HydrophobicContact CG-CE2 3.99Å; L54-F81 HydrophobicContact CG-CZ 4.24Å
55F96.4Very high93.7Very high5 Ų550.7 Ų50.72%0.02226%0.262CS..Hα-helixtrans-70.4-37.7-176.7-46.6-48.9000110.8W38 D51 A52 C53 W58 A59 W77 K78 F81W38-F55 HydrophobicContact CE3-CE1 4.42Å; W38-F55 HydrophobicContact CE3-CZ 4.07Å; W38-F55 HydrophobicContact CH2-CE1 4.3Å; W38-F55 AromaticContact CZ3-CE1 3.88Å; W38-F55 HydrophobicContact CZ3-CE1 3.88Å; W38-F55 AromaticContact CZ3-CZ 3.98Å; W38-F55 HydrophobicContact CZ3-CZ 3.98Å; D51-F55 WeakPolarHBondContact O-CE2 3.36Å; A52-F55 HydrophobicContact CB-CD2 4.3Å; A52-F55 PolarHBondContact O-N 2.64Å; A52-F55 VanDerWaalsContact O-N 3.11Å; C53-F55 VanDerWaalsContact C-N 3.35Å; C53-F55 PolarHBondContact O-N 2.69Å; F55-W58 PolarHBondContact O-N 3.28Å; F55-A59 WeakPolarHBondContact O-CB 3.45Å; F55-A59 PolarHBondContact O-N 2.92Å; F55-W77 HydrophobicContact CB-CB 3.69Å; F55-K78 HydrophobicContact CD1-CG 4.43Å; F55-K78 HydrophobicContact CD2-CB 3.84Å; F55-K78 HydrophobicContact CD2-CD 4.14Å; F55-K78 HydrophobicContact CD2-CG 3.91Å; F55-K78 HydrophobicContact CE1-CG 4.25Å; F55-K78 HydrophobicContact CE2-CB 4.19Å; F55-K78 HydrophobicContact CE2-CD 3.68Å; F55-K78 HydrophobicContact CE2-CG 3.73Å; F55-K78 HydrophobicContact CG-CB 4.05Å; F55-K78 HydrophobicContact CG-CG 4.29Å; F55-K78 HydrophobicContact CZ-CD 4.12Å; F55-K78 HydrophobicContact CZ-CG 3.91Å; F55-F81 HydrophobicContact CD1-CB 3.72Å; F55-F81 AromaticContact CD1-CD1 3.78Å; F55-F81 HydrophobicContact CD1-CD1 3.78Å; F55-F81 HydrophobicContact CD1-CD2 4.14Å; F55-F81 HydrophobicContact CD1-CE1 4.48Å; F55-F81 AromaticContact CD1-CG 3.6Å; F55-F81 HydrophobicContact CD1-CG 3.6Å; F55-F81 HydrophobicContact CE1-CB 4.37Å; F55-F81 AromaticContact CE1-CD1 3.61Å; F55-F81 HydrophobicContact CE1-CD1 3.61Å; F55-F81 HydrophobicContact CE1-CE1 4.05Å; F55-F81 AromaticContact CE1-CG 3.95Å; F55-F81 HydrophobicContact CE1-CG 3.95Å
56R95.3Very high93.8Very high82 Ų8253.4 Ų53.431%0.30926%0.259SS..Hα-helixtrans-59.2-51.5170.5-177.3176.5170.2171.7-2111A52 C53 W58 A59 I60 Y65 W77A52-R56 WeakPolarHBondContact O-CB 3.26Å; A52-R56 PolarHBondContact O-N 2.91Å; C53-R56 WeakPolarHBondContact O-CB 3.39Å; C53-R56 PolarHBondContact O-N 3.02Å; R56-W58 VanDerWaalsContact C-N 3.3Å; R56-W58 PolarHBondContact O-N 3.26Å; R56-A59 PolarHBondContact O-N 3.32Å; R56-A59 VanDerWaalsContact O-N 3.09Å; R56-I60 HydrophobicContact CG-CD1 4.1Å; R56-I60 WeakPolarHBondContact O-CG1 3.33Å; R56-I60 PolarHBondContact O-N 3.02Å; R56-Y65 HydrophobicContact CG-CD1 4.42Å; R56-Y65 HydrophobicContact CG-CE1 4.21Å; R56-W77 HydrophobicContact CB-CD2 4.46Å; R56-W77 HydrophobicContact CB-CE3 3.66Å; R56-W77 HydrophobicContact CB-CH2 4.18Å; R56-W77 HydrophobicContact CB-CZ3 3.52Å; R56-W77 HydrophobicContact CG-CE3 4.29Å; R56-W77 HydrophobicContact CG-CH2 3.9Å; R56-W77 HydrophobicContact CG-CZ3 3.75Å
57S95.6Very high93.6Very high34 Ų3453.4 Ų53.424%0.23827%0.272CS..Hα-helixtrans-59.9-38.7178.6-62.80000112.4C53 L54 I60 H61C53-S57 PolarHBondContact O-N 2.87Å; C53-S57 PolarHBondContact O-OG 3.27Å; L54-S57 PolarHBondContact O-N 2.88Å; S57-I60 PolarHBondContact O-N 2.93Å; S57-H61 WeakPolarHBondContact O-CB 3.3Å; S57-H61 PolarHBondContact O-N 3.3Å
58W95.8Very high93.3Very high24 Ų2455.6 Ų55.69%0.09130%0.304CS..Hα-helixtrans-66.3-40.5173.4-177-122.4000112.6M8 W11 L54 F55 R56 H61 T62 F81 A84M8-W58 HydrophobicContact CB-CH2 3.47Å; M8-W58 VanDerWaalsContact CB-CH2 3.47Å; M8-W58 HydrophobicContact CB-CZ2 3.88Å; M8-W58 HydrophobicContact CB-CZ3 4.11Å; M8-W58 HydrophobicContact CE-CD2 4.39Å; M8-W58 HydrophobicContact CE-CZ2 4.39Å; M8-W58 HydrophobicContact CG-CH2 3.68Å; M8-W58 HydrophobicContact CG-CZ2 3.82Å; M8-W58 HydrophobicContact CG-CZ3 4.04Å; M8-W58 HydrophobicContact SD-CZ2 4.05Å; W11-W58 HydrophobicContact CB-CZ3 4.27Å; W11-W58 AromaticContact CD2-CE3 3.56Å; W11-W58 HydrophobicContact CD2-CE3 3.56Å; W11-W58 AromaticContact CD2-CZ3 3.81Å; W11-W58 HydrophobicContact CD2-CZ3 3.81Å; W11-W58 AromaticContact CE2-CE3 3.93Å; W11-W58 HydrophobicContact CE3-CD2 4.33Å; W11-W58 AromaticContact CE3-CE3 3.38Å; W11-W58 HydrophobicContact CE3-CE3 3.38Å; W11-W58 AromaticContact CE3-CZ3 3.79Å; W11-W58 HydrophobicContact CE3-CZ3 3.79Å; W11-W58 HydrophobicContact CG-CE3 4.23Å; W11-W58 HydrophobicContact CG-CZ3 4.02Å; W11-W58 HydrophobicContact CH2-CB 3.59Å; W11-W58 HydrophobicContact CH2-CD2 4.48Å; W11-W58 AromaticContact CH2-CE3 3.99Å; W11-W58 HydrophobicContact CH2-CE3 3.99Å; W11-W58 HydrophobicContact CH2-CG 4.39Å; W11-W58 HydrophobicContact CZ2-CB 4.2Å; W11-W58 HydrophobicContact CZ2-CE3 4.15Å; W11-W58 HydrophobicContact CZ3-CB 4.01Å; W11-W58 HydrophobicContact CZ3-CD2 4.18Å; W11-W58 AromaticContact CZ3-CE3 3.62Å; W11-W58 HydrophobicContact CZ3-CE3 3.62Å; W11-W58 HydrophobicContact CZ3-CG 4.38Å; W11-W58 HydrophobicContact CZ3-CZ3 4.46Å; L54-W58 PolarHBondContact O-N 3.46Å; F55-W58 PolarHBondContact O-N 3.28Å; R56-W58 VanDerWaalsContact C-N 3.3Å; R56-W58 PolarHBondContact O-N 3.26Å; W58-H61 AromaticContact CE3-ND1 3.63Å; W58-H61 AromaticContact CZ3-CE1 3.84Å; W58-H61 AromaticContact CZ3-ND1 3.26Å; W58-H61 VanDerWaalsContact CZ3-ND1 3.26Å; W58-H61 WeakPolarHBondContact CZ3-ND1 3.42Å; W58-H61 PolarHBondContact O-N 3.03Å; W58-T62 HydrophobicContact CD2-CG2 3.8Å; W58-T62 VanDerWaalsContact CE2-CG2 3.47Å; W58-T62 HydrophobicContact CE3-CG2 4.07Å; W58-T62 HydrophobicContact CG-CG2 4.49Å; W58-T62 HydrophobicContact CH2-CG2 3.72Å; W58-T62 HydrophobicContact CZ2-CG2 3.43Å; W58-T62 VanDerWaalsContact CZ2-CG2 3.43Å; W58-T62 HydrophobicContact CZ3-CG2 4.05Å; W58-T62 WeakPolarHBondContact O-CB 3.46Å; W58-T62 WeakPolarHBondContact O-CG2 3.38Å; W58-T62 PolarHBondContact O-N 3.45Å; W58-T62 PolarHBondContact O-OG1 2.95Å; W58-F81 HydrophobicContact CB-CD2 3.93Å; W58-F81 AromaticContact CD1-CD2 3.81Å; W58-F81 AromaticContact CG-CD2 3.85Å; W58-F81 HydrophobicContact CG-CD2 3.85Å; W58-A84 HydrophobicContact CZ2-CB 4.19Å
59A95.8Very high93.2Very high4 Ų460 Ų603%0.03332%0.324CS..Hα-helixtrans-66.5-36177.400000112.6F55 R56 T62 G63 R64 Y65 W77F55-A59 WeakPolarHBondContact O-CB 3.45Å; F55-A59 PolarHBondContact O-N 2.92Å; R56-A59 PolarHBondContact O-N 3.32Å; R56-A59 VanDerWaalsContact O-N 3.09Å; A59-T62 PolarHBondContact O-OG1 3.17Å; A59-G63 PolarHBondContact O-N 3.22Å; A59-R64 PolarHBondContact O-N 2.91Å; A59-Y65 PolarHBondContact O-N 2.73Å; A59-W77 HydrophobicContact CB-CB 4.32Å; A59-W77 HydrophobicContact CB-CD2 4.24Å; A59-W77 HydrophobicContact CB-CG 3.72Å
60I94.4Very high93.1Very high82 Ų8261.4 Ų61.442%0.42133%0.325SS..Hα-helixtrans-66-53.1171.7-64.4173.2000110.3R56 S57 T62 G63 Y65R56-I60 HydrophobicContact CG-CD1 4.1Å; R56-I60 WeakPolarHBondContact O-CG1 3.33Å; R56-I60 PolarHBondContact O-N 3.02Å; S57-I60 PolarHBondContact O-N 2.93Å; I60-T62 VanDerWaalsContact C-N 3.28Å; I60-T62 PolarHBondContact O-N 3.42Å; I60-G63 WeakPolarHBondContact O-CA 3.45Å; I60-G63 PolarHBondContact O-N 2.92Å; I60-Y65 HydrophobicContact CD1-CD1 4.33Å; I60-Y65 HydrophobicContact CD1-CE1 4.48Å; I60-Y65 HydrophobicContact CG1-CD1 3.73Å; I60-Y65 HydrophobicContact CG1-CE1 4.34Å
61H93.6Very high93.1Very high46 Ų4662.8 Ų62.821%0.21333%0.334CS..Hα-helixtrans-60.3-35.7-178.8173.7-111.3000113.2M6 W11 S57 W58 G63M6-H61 PolarHBondContact O-CE1 3.09Å; M6-H61 VanDerWaalsContact O-CE1 3.25Å; W11-H61 AromaticContact CD1-CD2 3.59Å; W11-H61 AromaticContact CD1-CE1 3.4Å; W11-H61 VanDerWaalsContact CD1-CE1 3.4Å; W11-H61 AromaticContact CD1-CG 3.44Å; W11-H61 VanDerWaalsContact CD1-CG 3.44Å; W11-H61 AromaticContact CD1-ND1 3.34Å; W11-H61 VanDerWaalsContact CD1-ND1 3.34Å; W11-H61 AromaticContact CD1-NE2 3.58Å; W11-H61 AromaticContact CG-CE1 3.71Å; W11-H61 AromaticContact CG-ND1 3.66Å; W11-H61 HydrophobicContact CZ2-CB 4.47Å; W11-H61 AromaticContact NE1-CD2 3.82Å; W11-H61 AromaticContact NE1-CG 3.37Å; W11-H61 AromaticContact NE1-ND1 3.61Å; S57-H61 WeakPolarHBondContact O-CB 3.3Å; S57-H61 PolarHBondContact O-N 3.3Å; W58-H61 AromaticContact CE3-ND1 3.63Å; W58-H61 AromaticContact CZ3-CE1 3.84Å; W58-H61 AromaticContact CZ3-ND1 3.26Å; W58-H61 VanDerWaalsContact CZ3-ND1 3.26Å; W58-H61 WeakPolarHBondContact CZ3-ND1 3.42Å; W58-H61 PolarHBondContact O-N 3.03Å; H61-G63 VanDerWaalsContact C-N 3.27Å; H61-G63 PolarHBondContact O-N 3.44Å
62T93.1Very high93.1Very high33 Ų3364.6 Ų64.620%0.20235%0.347CS..THydrogen-bonded Turntrans-80.8-1.5173.954.90000114.1R5 W58 A59 I60 R64R5-T62 PolarHBondContact NH1-O 3.04Å; W58-T62 HydrophobicContact CD2-CG2 3.8Å; W58-T62 VanDerWaalsContact CE2-CG2 3.47Å; W58-T62 HydrophobicContact CE3-CG2 4.07Å; W58-T62 HydrophobicContact CG-CG2 4.49Å; W58-T62 HydrophobicContact CH2-CG2 3.72Å; W58-T62 HydrophobicContact CZ2-CG2 3.43Å; W58-T62 VanDerWaalsContact CZ2-CG2 3.43Å; W58-T62 HydrophobicContact CZ3-CG2 4.05Å; W58-T62 WeakPolarHBondContact O-CB 3.46Å; W58-T62 WeakPolarHBondContact O-CG2 3.38Å; W58-T62 PolarHBondContact O-N 3.45Å; W58-T62 PolarHBondContact O-OG1 2.95Å; A59-T62 PolarHBondContact O-OG1 3.17Å; I60-T62 VanDerWaalsContact C-N 3.28Å; I60-T62 PolarHBondContact O-N 3.42Å; T62-R64 PolarHBondContact O-N 3.49Å
63G92.2Very high93Very high38 Ų3867.3 Ų67.339%0.39236%0.362SS..THydrogen-bonded Turntrans61.723-176.900000113.8A59 I60 H61A59-G63 PolarHBondContact O-N 3.22Å; I60-G63 WeakPolarHBondContact O-CA 3.45Å; I60-G63 PolarHBondContact O-N 2.92Å; H61-G63 VanDerWaalsContact C-N 3.27Å; H61-G63 PolarHBondContact O-N 3.44Å
64R91.5Very high93Very high190 Ų19067 Ų6772%0.71736%0.36SS*.SBendtrans-88.9-15.7176.4-65.9-59.9-167.2179.13.2112.5A59 T62A59-R64 PolarHBondContact O-N 2.91Å; T62-R64 PolarHBondContact O-N 3.49Å
65Y94Very high92.9Very high16 Ų1675.3 Ų75.36%0.06340%0.395CS..  trans-136.5144.4171174.6-114.4000109.1R56 A59 I60 A67 K70 W77R56-Y65 HydrophobicContact CG-CD1 4.42Å; R56-Y65 HydrophobicContact CG-CE1 4.21Å; A59-Y65 PolarHBondContact O-N 2.73Å; I60-Y65 HydrophobicContact CD1-CD1 4.33Å; I60-Y65 HydrophobicContact CD1-CE1 4.48Å; I60-Y65 HydrophobicContact CG1-CD1 3.73Å; I60-Y65 HydrophobicContact CG1-CE1 4.34Å; Y65-A67 HydrophobicContact CE1-CB 4.45Å; Y65-K70 HydrophobicContact CD2-CB 4.34Å; Y65-K70 VanDerWaalsContact CE2-O 3.27Å; Y65-K70 WeakPolarHBondContact CE2-O 3.43Å; Y65-W77 HydrophobicContact CD1-CH2 4.22Å; Y65-W77 AromaticContact CD1-CZ2 3.55Å; Y65-W77 HydrophobicContact CD1-CZ2 3.55Å; Y65-W77 AromaticContact CD2-CZ2 3.6Å; Y65-W77 HydrophobicContact CD2-CZ2 3.6Å; Y65-W77 AromaticContact CE1-CH2 3.92Å; Y65-W77 HydrophobicContact CE1-CH2 3.92Å; Y65-W77 AromaticContact CE1-CZ2 3.61Å; Y65-W77 HydrophobicContact CE1-CZ2 3.61Å; Y65-W77 HydrophobicContact CE2-CH2 4.38Å; Y65-W77 AromaticContact CE2-CZ2 3.63Å; Y65-W77 HydrophobicContact CE2-CZ2 3.63Å; Y65-W77 AromaticContact CG-CE2 3.88Å; Y65-W77 AromaticContact CG-CZ2 3.55Å; Y65-W77 HydrophobicContact CG-CZ2 3.55Å; Y65-W77 AromaticContact CG-NE1 3.8Å; Y65-W77 AromaticContact CZ-CH2 4Å; Y65-W77 AromaticContact CZ-CZ2 3.65Å
66K90.9Very high92.9Very high109 Ų10978 Ų7847%0.47441%0.412SS..  trans-131.9131.8168.9-65.9167.1176.91740105.8E69 K70K66-E69 HydrophobicContact CB-CB 4.08Å; K66-E69 HydrophobicContact CD-CB 4.16Å; K66-E69 HydrophobicContact CD-CG 4.34Å; K66-E69 VanDerWaalsContact CD-OE1 3.32Å; K66-E69 WeakPolarHBondContact CD-OE1 3.1Å; K66-E69 WeakPolarHBondContact CD-OE2 3.32Å; K66-E69 WeakPolarHBondContact CE-OE1 3.5Å; K66-E69 WeakPolarHBondContact CE-OE2 3.37Å; K66-E69 IonicContact NZ-OE1 2.71Å; K66-E69 PolarHBondContact NZ-OE1 3.48Å; K66-E69 IonicContact NZ-OE2 3.84Å; K66-E69 PolarHBondContact NZ-OE2 2.92Å; K66-K70 PolarHBondContact O-N 3.31Å
67A89.3Confident92.9Very high64 Ų6474.5 Ų74.553%0.52940%0.399SS..THydrogen-bonded Turntrans-65.1142.2172.200000109.8Y65 E69Y65-A67 HydrophobicContact CE1-CB 4.45Å; A67-E69 PolarHBondContact O-N 3.37Å; A67-E69 VanDerWaalsContact O-N 3.15Å
68G87.3Confident92.9Very high86 Ų8674.8 Ų74.889%0.88740%0.396SS*.THydrogen-bonded Turntrans82.4-37.4-179.600000115.3
69E90.6Very high92.9Very high139 Ų13975.8 Ų75.865%0.6541%0.409SS*.THydrogen-bonded Turntrans-86-25.5179.4-171-178.111800113.4K66 A67K66-E69 HydrophobicContact CB-CB 4.08Å; K66-E69 HydrophobicContact CD-CB 4.16Å; K66-E69 HydrophobicContact CD-CG 4.34Å; K66-E69 VanDerWaalsContact CD-OE1 3.32Å; K66-E69 WeakPolarHBondContact CD-OE1 3.1Å; K66-E69 WeakPolarHBondContact CD-OE2 3.32Å; K66-E69 WeakPolarHBondContact CE-OE1 3.5Å; K66-E69 WeakPolarHBondContact CE-OE2 3.37Å; K66-E69 IonicContact NZ-OE1 2.71Å; K66-E69 PolarHBondContact NZ-OE1 3.48Å; K66-E69 IonicContact NZ-OE2 3.84Å; K66-E69 PolarHBondContact NZ-OE2 2.92Å; A67-E69 PolarHBondContact O-N 3.37Å; A67-E69 VanDerWaalsContact O-N 3.15Å
70K89Confident92.9Very high127 Ų12779.3 Ų79.355%0.55243%0.427SS*.SBendtrans-137.1150.7-179.9-175.1168.5178.2170.20111.1Y65 K66Y65-K70 HydrophobicContact CD2-CB 4.34Å; Y65-K70 VanDerWaalsContact CE2-O 3.27Å; Y65-K70 WeakPolarHBondContact CE2-O 3.43Å; K66-K70 PolarHBondContact O-N 3.31Å
71E91.1Very high93.1Very high165 Ų16575.4 Ų75.477%0.77141%0.407SS*.  trans-65.4150.1172.3-64.9-172.3154.700113.2D73E71-D73 PolarHBondContact O-N 3Å
72P93.3Very high93.2Very high71 Ų7178.8 Ų78.846%0.46142%0.418SS..  trans-79105.3-178.731.5-34.6000112.5I48 P74 W77I48-P72 HydrophobicContact CD1-CB 3.98Å; I48-P72 HydrophobicContact CD1-CG 4.47Å; P72-P74 WeakPolarHBondContact O-CD 3.06Å; P72-W77 HydrophobicContact CB-CH2 3.56Å; P72-W77 HydrophobicContact CB-CZ2 3.98Å
73D93.9Very high93.4Very high59 Ų5980.4 Ų80.432%0.31643%0.43SS..  trans-104.588.1174.1-177.6-7.3000112.4E71 K75 T76 W77E71-D73 PolarHBondContact O-N 3Å; D73-K75 VanDerWaalsContact C-N 3.25Å; D73-K75 PolarHBondContact O-N 3.05Å; D73-K75 WeakPolarHBondContact OD1-CA 3.34Å; D73-K75 WeakPolarHBondContact OD1-CB 3.48Å; D73-K75 PolarHBondContact OD1-N 3.08Å; D73-T76 VanDerWaalsContact CG-CB 3.42Å; D73-T76 PolarHBondContact O-N 2.89Å; D73-T76 PolarHBondContact OD1-N 2.93Å; D73-T76 WeakPolarHBondContact OD2-CB 3.41Å; D73-T76 PolarHBondContact OD2-OG1 2.8Å; D73-W77 VanDerWaalsContact O-CD2 3.28Å; D73-W77 PolarHBondContact O-N 2.84Å; D73-W77 PolarHBondContact O-NE1 2.77Å
74P93.8Very high93.5Very high28 Ų2879.6 Ų79.618%0.18242%0.42CS..Hα-helixtrans-68.9-21.2179.529.2-36000113.5W46 I48 A52 P72 W77 K78W46-P74 HydrophobicContact CH2-CB 3.9Å; W46-P74 HydrophobicContact CH2-CG 3.76Å; W46-P74 HydrophobicContact CZ2-CB 4.29Å; I48-P74 HydrophobicContact CD1-CB 4.18Å; I48-P74 HydrophobicContact CD1-CG 3.79Å; I48-P74 HydrophobicContact CG1-CB 4.08Å; I48-P74 HydrophobicContact CG1-CG 4.09Å; A52-P74 HydrophobicContact CB-CB 3.82Å; P72-P74 WeakPolarHBondContact O-CD 3.06Å; P74-W77 HydrophobicContact CB-CE3 4.06Å; P74-W77 HydrophobicContact CB-CZ3 4.33Å; P74-K78 WeakPolarHBondContact O-CB 3.5Å; P74-K78 PolarHBondContact O-N 3.37Å
75K94Very high93.7Very high180 Ų18070.8 Ų70.878%0.78339%0.387SS*.Hα-helixtrans-70-49177.2-179.3-175.8177.4-175.60109.5D73 K78 A79D73-K75 VanDerWaalsContact C-N 3.25Å; D73-K75 PolarHBondContact O-N 3.05Å; D73-K75 WeakPolarHBondContact OD1-CA 3.34Å; D73-K75 WeakPolarHBondContact OD1-CB 3.48Å; D73-K75 PolarHBondContact OD1-N 3.08Å; K75-K78 PolarHBondContact O-N 2.82Å; K75-A79 WeakPolarHBondContact O-CB 3.49Å; K75-A79 PolarHBondContact O-N 3.35Å
76T95.6Very high93.7Very high60 Ų6074.9 Ų74.937%0.36841%0.41SS..Hα-helixtrans-65.1-39.2174.1-70.50000112D73 A79 N80D73-T76 VanDerWaalsContact CG-CB 3.42Å; D73-T76 PolarHBondContact O-N 2.89Å; D73-T76 PolarHBondContact OD1-N 2.93Å; D73-T76 WeakPolarHBondContact OD2-CB 3.41Å; D73-T76 PolarHBondContact OD2-OG1 2.8Å; T76-A79 PolarHBondContact O-N 3.29Å; T76-N80 VanDerWaalsContact CG2-ND2 3.33Å; T76-N80 WeakPolarHBondContact CG2-ND2 3.41Å; T76-N80 WeakPolarHBondContact O-CB 3.34Å; T76-N80 VanDerWaalsContact O-CG 3.31Å; T76-N80 PolarHBondContact O-N 3.1Å; T76-N80 PolarHBondContact O-ND2 2.69Å
77W96Very high93.8Very high10 Ų1073.9 Ų73.94%0.03842%0.416CS..Hα-helixtrans-61.2-48.6175.8-56.7-18.5000112.2I48 F55 R56 A59 Y65 P72 D73 P74 A79 N80 F81I48-W77 HydrophobicContact CD1-CZ3 4.38Å; I48-W77 HydrophobicContact CG1-CZ3 4.49Å; F55-W77 HydrophobicContact CB-CB 3.69Å; R56-W77 HydrophobicContact CB-CD2 4.46Å; R56-W77 HydrophobicContact CB-CE3 3.66Å; R56-W77 HydrophobicContact CB-CH2 4.18Å; R56-W77 HydrophobicContact CB-CZ3 3.52Å; R56-W77 HydrophobicContact CG-CE3 4.29Å; R56-W77 HydrophobicContact CG-CH2 3.9Å; R56-W77 HydrophobicContact CG-CZ3 3.75Å; A59-W77 HydrophobicContact CB-CB 4.32Å; A59-W77 HydrophobicContact CB-CD2 4.24Å; A59-W77 HydrophobicContact CB-CG 3.72Å; Y65-W77 HydrophobicContact CD1-CH2 4.22Å; Y65-W77 AromaticContact CD1-CZ2 3.55Å; Y65-W77 HydrophobicContact CD1-CZ2 3.55Å; Y65-W77 AromaticContact CD2-CZ2 3.6Å; Y65-W77 HydrophobicContact CD2-CZ2 3.6Å; Y65-W77 AromaticContact CE1-CH2 3.92Å; Y65-W77 HydrophobicContact CE1-CH2 3.92Å; Y65-W77 AromaticContact CE1-CZ2 3.61Å; Y65-W77 HydrophobicContact CE1-CZ2 3.61Å; Y65-W77 HydrophobicContact CE2-CH2 4.38Å; Y65-W77 AromaticContact CE2-CZ2 3.63Å; Y65-W77 HydrophobicContact CE2-CZ2 3.63Å; Y65-W77 AromaticContact CG-CE2 3.88Å; Y65-W77 AromaticContact CG-CZ2 3.55Å; Y65-W77 HydrophobicContact CG-CZ2 3.55Å; Y65-W77 AromaticContact CG-NE1 3.8Å; Y65-W77 AromaticContact CZ-CH2 4Å; Y65-W77 AromaticContact CZ-CZ2 3.65Å; P72-W77 HydrophobicContact CB-CH2 3.56Å; P72-W77 HydrophobicContact CB-CZ2 3.98Å; D73-W77 VanDerWaalsContact O-CD2 3.28Å; D73-W77 PolarHBondContact O-N 2.84Å; D73-W77 PolarHBondContact O-NE1 2.77Å; P74-W77 HydrophobicContact CB-CE3 4.06Å; P74-W77 HydrophobicContact CB-CZ3 4.33Å; W77-A79 PolarHBondContact O-N 2.83Å; W77-N80 PolarHBondContact O-N 2.92Å; W77-F81 WeakPolarHBondContact O-CB 3.5Å; W77-F81 PolarHBondContact O-N 2.94Å
78K95.8Very high94Very high40 Ų4072.4 Ų72.417%0.17440%0.399CS..Hα-helixtrans-65.3-37.7179.3-169.4170.8-173.6179.50112W38 K39 F55 P74 K75 R82W38-K78 PolarHBondContact O-NZ 3.43Å; K39-K78 PolarHBondContact O-NZ 2.98Å; F55-K78 HydrophobicContact CD1-CG 4.43Å; F55-K78 HydrophobicContact CD2-CB 3.84Å; F55-K78 HydrophobicContact CD2-CD 4.14Å; F55-K78 HydrophobicContact CD2-CG 3.91Å; F55-K78 HydrophobicContact CE1-CG 4.25Å; F55-K78 HydrophobicContact CE2-CB 4.19Å; F55-K78 HydrophobicContact CE2-CD 3.68Å; F55-K78 HydrophobicContact CE2-CG 3.73Å; F55-K78 HydrophobicContact CG-CB 4.05Å; F55-K78 HydrophobicContact CG-CG 4.29Å; F55-K78 HydrophobicContact CZ-CD 4.12Å; F55-K78 HydrophobicContact CZ-CG 3.91Å; P74-K78 WeakPolarHBondContact O-CB 3.5Å; P74-K78 PolarHBondContact O-N 3.37Å; K75-K78 PolarHBondContact O-N 2.82Å; K78-R82 WeakPolarHBondContact O-CB 3.16Å; K78-R82 PolarHBondContact O-N 2.77Å
79A95.9Very high94.2Very high44 Ų4473.2 Ų73.236%0.36439%0.389SS..Hα-helixtrans-62.7-50.317400000112.1K75 T76 W77 F81 R82 C83K75-A79 WeakPolarHBondContact O-CB 3.49Å; K75-A79 PolarHBondContact O-N 3.35Å; T76-A79 PolarHBondContact O-N 3.29Å; W77-A79 PolarHBondContact O-N 2.83Å; A79-F81 PolarHBondContact O-N 3.44Å; A79-R82 PolarHBondContact O-N 3.29Å; A79-C83 PolarHBondContact O-N 3.48Å; A79-C83 PolarHBondContact O-SG 2.96Å
80N96.8Very high94.3Very high78 Ų7868.3 Ų68.342%0.41737%0.367SS..Hα-helixtrans-63.5-40.5179-75.5-30.5000112.5T76 W77 C83 A84T76-N80 VanDerWaalsContact CG2-ND2 3.33Å; T76-N80 WeakPolarHBondContact CG2-ND2 3.41Å; T76-N80 WeakPolarHBondContact O-CB 3.34Å; T76-N80 VanDerWaalsContact O-CG 3.31Å; T76-N80 PolarHBondContact O-N 3.1Å; T76-N80 PolarHBondContact O-ND2 2.69Å; W77-N80 PolarHBondContact O-N 2.92Å; N80-C83 PolarHBondContact O-N 3.32Å; N80-A84 WeakPolarHBondContact O-CB 3.32Å; N80-A84 PolarHBondContact O-N 2.63Å
81F97.1Very high94.6Very high0 Ų062.9 Ų62.90%034%0.344CS..Hα-helixtrans-60.5-48.5174.4-178.8-87.7000111.4M8 W11 L12 I36 W38 L54 F55 W58 W77 A79 C83 A84 M85M8-F81 HydrophobicContact CE-CD1 4.43Å; M8-F81 HydrophobicContact CE-CD2 3.41Å; M8-F81 VanDerWaalsContact CE-CD2 3.41Å; M8-F81 HydrophobicContact CE-CE1 4.33Å; M8-F81 HydrophobicContact CE-CE2 3.3Å; M8-F81 HydrophobicContact CE-CG 3.99Å; M8-F81 HydrophobicContact CE-CZ 3.79Å; W11-F81 HydrophobicContact CZ3-CE2 4.2Å; L12-F81 HydrophobicContact CD1-CE2 4.37Å; L12-F81 HydrophobicContact CD1-CZ 4.17Å; L12-F81 HydrophobicContact CD2-CZ 4.46Å; I36-F81 HydrophobicContact CD1-CE1 3.75Å; I36-F81 HydrophobicContact CD1-CZ 3.83Å; W38-F81 AromaticContact CH2-CD1 3.95Å; W38-F81 HydrophobicContact CH2-CD1 3.95Å; W38-F81 HydrophobicContact CH2-CE1 4.21Å; W38-F81 HydrophobicContact CZ3-CD1 4.12Å; W38-F81 HydrophobicContact CZ3-CE1 4.01Å; L54-F81 HydrophobicContact CD1-CE2 4.29Å; L54-F81 HydrophobicContact CD2-CE1 4.32Å; L54-F81 HydrophobicContact CD2-CE2 4.02Å; L54-F81 HydrophobicContact CD2-CZ 3.74Å; L54-F81 HydrophobicContact CG-CE2 3.99Å; L54-F81 HydrophobicContact CG-CZ 4.24Å; F55-F81 HydrophobicContact CD1-CB 3.72Å; F55-F81 AromaticContact CD1-CD1 3.78Å; F55-F81 HydrophobicContact CD1-CD1 3.78Å; F55-F81 HydrophobicContact CD1-CD2 4.14Å; F55-F81 HydrophobicContact CD1-CE1 4.48Å; F55-F81 AromaticContact CD1-CG 3.6Å; F55-F81 HydrophobicContact CD1-CG 3.6Å; F55-F81 HydrophobicContact CE1-CB 4.37Å; F55-F81 AromaticContact CE1-CD1 3.61Å; F55-F81 HydrophobicContact CE1-CD1 3.61Å; F55-F81 HydrophobicContact CE1-CE1 4.05Å; F55-F81 AromaticContact CE1-CG 3.95Å; F55-F81 HydrophobicContact CE1-CG 3.95Å; W58-F81 HydrophobicContact CB-CD2 3.93Å; W58-F81 AromaticContact CD1-CD2 3.81Å; W58-F81 AromaticContact CG-CD2 3.85Å; W58-F81 HydrophobicContact CG-CD2 3.85Å; W77-F81 WeakPolarHBondContact O-CB 3.5Å; W77-F81 PolarHBondContact O-N 2.94Å; A79-F81 PolarHBondContact O-N 3.44Å; F81-C83 PolarHBondContact O-N 3.09Å; F81-A84 PolarHBondContact O-N 3.35Å; F81-M85 HydrophobicContact CD1-CG 3.9Å; F81-M85 HydrophobicContact CE1-CG 3.42Å; F81-M85 VanDerWaalsContact CE1-CG 3.42Å; F81-M85 HydrophobicContact CE1-SD 4.05Å; F81-M85 HydrophobicContact CZ-CG 3.81Å; F81-M85 HydrophobicContact CZ-SD 3.86Å; F81-M85 WeakPolarHBondContact O-CG 3.27Å; F81-M85 PolarHBondContact O-N 3.4Å
82R96.2Very high94.7Very high117 Ų11758.4 Ų58.444%0.44232%0.323SS..Hα-helixtrans-58.6-45.3176.6-175.2-164.966.1140.92112W38 K78 A79 A84 M85 N86W38-R82 HydrophobicContact CH2-CB 4.28Å; W38-R82 HydrophobicContact CZ2-CB 4.13Å; W38-R82 HydrophobicContact CZ2-CG 4.24Å; K78-R82 WeakPolarHBondContact O-CB 3.16Å; K78-R82 PolarHBondContact O-N 2.77Å; A79-R82 PolarHBondContact O-N 3.29Å; R82-A84 VanDerWaalsContact C-N 3.31Å; R82-A84 PolarHBondContact O-N 2.98Å; R82-M85 PolarHBondContact O-N 3.2Å; R82-N86 WeakPolarHBondContact O-CB 3.46Å; R82-N86 VanDerWaalsContact O-CG 3.23Å; R82-N86 PolarHBondContact O-N 3.08Å; R82-N86 PolarHBondContact O-OD1 2.91Å
83C96.5Very high94.8Very high68 Ų6857.4 Ų57.446%0.45931%0.312SS..Hα-helixtrans-63.6-38.1178.7-670000112A79 N80 F81 S87A79-C83 PolarHBondContact O-N 3.48Å; A79-C83 PolarHBondContact O-SG 2.96Å; N80-C83 PolarHBondContact O-N 3.32Å; F81-C83 PolarHBondContact O-N 3.09Å; C83-S87 PolarHBondContact O-N 3.15Å
84A95.4Very high94.9Very high20 Ų2055.8 Ų55.817%0.16531%0.305CS..Hα-helixtrans-68.6-44.5176.100000111.9M8 W58 N80 F81 R82 N86 S87M8-A84 HydrophobicContact CE-CB 3.92Å; M8-A84 HydrophobicContact SD-CB 3.31Å; M8-A84 WeakPolarHBondContact SD-CB 3.45Å; W58-A84 HydrophobicContact CZ2-CB 4.19Å; N80-A84 WeakPolarHBondContact O-CB 3.32Å; N80-A84 PolarHBondContact O-N 2.63Å; F81-A84 PolarHBondContact O-N 3.35Å; R82-A84 VanDerWaalsContact C-N 3.31Å; R82-A84 PolarHBondContact O-N 2.98Å; A84-N86 PolarHBondContact O-N 3.43Å; A84-S87 PolarHBondContact O-N 2.92Å; A84-S87 VanDerWaalsContact O-N 3.12Å; A84-S87 PolarHBondContact O-OG 3.1Å
85M95.5Very high94.9Very high5 Ų561.2 Ų61.23%0.02533%0.325CS..Hα-helixtrans-54.2-52.1172.9-74.7-64.9-71.400111.6M8 L12 F34 I36 F81 R82 S87 L88 I91 Y109M8-M85 HydrophobicContact CE-CG 3.67Å; M8-M85 HydrophobicContact CE-SD 3.71Å; M8-M85 HydrophobicContact SD-CG 4.35Å; M8-M85 PolarHBondContact SD-N 3.35Å; M8-M85 HydrophobicContact SD-SD 4.2Å; L12-M85 HydrophobicContact CD2-CE 3.98Å; L12-M85 HydrophobicContact CD2-SD 3.49Å; L12-M85 WeakPolarHBondContact CD2-SD 3.42Å; F34-M85 HydrophobicContact CZ-CE 4.23Å; I36-M85 HydrophobicContact CD1-CE 4.21Å; F81-M85 HydrophobicContact CD1-CG 3.9Å; F81-M85 HydrophobicContact CE1-CG 3.42Å; F81-M85 VanDerWaalsContact CE1-CG 3.42Å; F81-M85 HydrophobicContact CE1-SD 4.05Å; F81-M85 HydrophobicContact CZ-CG 3.81Å; F81-M85 HydrophobicContact CZ-SD 3.86Å; F81-M85 WeakPolarHBondContact O-CG 3.27Å; F81-M85 PolarHBondContact O-N 3.4Å; R82-M85 PolarHBondContact O-N 3.2Å; M85-S87 PolarHBondContact O-N 2.75Å; M85-L88 PolarHBondContact O-N 2.56Å; M85-L88 VanDerWaalsContact O-N 3.1Å; M85-I91 HydrophobicContact CE-CG2 3.88Å; M85-Y109 HydrophobicContact CE-CD1 3.58Å; M85-Y109 HydrophobicContact CE-CD2 3.94Å; M85-Y109 HydrophobicContact CE-CE1 3.8Å; M85-Y109 HydrophobicContact CE-CE2 4.12Å; M85-Y109 HydrophobicContact CE-CG 3.68Å
86N94.6Very high95Very high103 Ų10360.3 Ų60.355%0.55133%0.329SS*.THydrogen-bonded Turntrans-65.3-11.7-178.2-68.213.4000114R82 A84R82-N86 WeakPolarHBondContact O-CB 3.46Å; R82-N86 VanDerWaalsContact O-CG 3.23Å; R82-N86 PolarHBondContact O-N 3.08Å; R82-N86 PolarHBondContact O-OD1 2.91Å; A84-N86 PolarHBondContact O-N 3.43Å
87S93.5Very high94.8Very high87 Ų8762.4 Ų62.461%0.60833%0.334SS*.THydrogen-bonded Turntrans-90.9-10.117776.40000114C83 A84 M85 P89C83-S87 PolarHBondContact O-N 3.15Å; A84-S87 PolarHBondContact O-N 2.92Å; A84-S87 VanDerWaalsContact O-N 3.12Å; A84-S87 PolarHBondContact O-OG 3.1Å; M85-S87 PolarHBondContact O-N 2.75Å; S87-P89 WeakPolarHBondContact O-CD 3.44Å
88L92.6Very high94.7Very high34 Ų3462.6 Ų62.618%0.17834%0.338CS..  trans-82.7117.1-179.2-64.6174.5000110.2M8 M85 D90 I91M8-L88 HydrophobicContact CB-CD1 4.19Å; M8-L88 HydrophobicContact CG-CD1 4.22Å; M8-L88 HydrophobicContact SD-CD1 4.09Å; M85-L88 PolarHBondContact O-N 2.56Å; M85-L88 VanDerWaalsContact O-N 3.1Å; L88-D90 PolarHBondContact O-N 3.37Å; L88-I91 HydrophobicContact CB-CB 4.28Å; L88-I91 HydrophobicContact CB-CG1 4.34Å; L88-I91 HydrophobicContact CD1-CB 4.42Å; L88-I91 HydrophobicContact CD1-CD1 3.59Å; L88-I91 HydrophobicContact CD1-CG1 3.97Å
89P91.8Very high94.6Very high102 Ų10267 Ų6766%0.66235%0.353SS*.THydrogen-bonded Turntrans-76.82177.835.3-37.8000113.1S87S87-P89 WeakPolarHBondContact O-CD 3.44Å
90D92.1Very high94.4Very high36 Ų3669.8 Ų69.819%0.19336%0.362CS..THydrogen-bonded Turntrans-128.612.7-172.866.5-42.1000113.2R9 L88 L112R9-D90 WeakPolarHBondContact CD-OD2 3.08Å; R9-D90 IonicContact CZ-OD2 2.69Å; R9-D90 IonicContact NE-OD2 3.29Å; R9-D90 PolarHBondContact NH1-O 3.23Å; R9-D90 IonicContact NH1-OD2 3.31Å; R9-D90 PolarHBondContact NH1-OD2 3.44Å; L88-D90 PolarHBondContact O-N 3.37Å; D90-L112 PolarHBondContact O-N 3.07Å
91I94.8Very high94Very high14 Ų1474.5 Ų74.57%0.07238%0.379CS..EExtended strand (participates in β ladder)trans-131.9136.8161.8-54.3-170.9000108.4R9 L12 F34 M85 L88 Y109 R110 M111R9-I91 HydrophobicContact CB-CD1 4.24Å; R9-I91 HydrophobicContact CG-CD1 4.27Å; L12-I91 HydrophobicContact CD2-CD1 4.34Å; F34-I91 HydrophobicContact CE1-CG2 4.37Å; F34-I91 HydrophobicContact CZ-CG2 4.29Å; M85-I91 HydrophobicContact CE-CG2 3.88Å; L88-I91 HydrophobicContact CB-CB 4.28Å; L88-I91 HydrophobicContact CB-CG1 4.34Å; L88-I91 HydrophobicContact CD1-CB 4.42Å; L88-I91 HydrophobicContact CD1-CD1 3.59Å; L88-I91 HydrophobicContact CD1-CG1 3.97Å; I91-Y109 HydrophobicContact CG2-CD1 4.17Å; I91-Y109 HydrophobicContact CG2-CG 4.46Å; I91-R110 WeakPolarHBondContact CA-O 3.42Å; I91-M111 HydrophobicContact CD1-CE 4.3Å; I91-M111 HydrophobicContact CD1-CG 4.03Å; I91-M111 HydrophobicContact CD1-SD 4.16Å; I91-M111 HydrophobicContact CG1-CB 4.39Å; I91-M111 HydrophobicContact CG1-CG 4.1Å
92E94.4Very high93.6Very high71 Ų7176.7 Ų76.733%0.33240%0.402SS..EExtended strand (participates in β ladder)trans-127.9151.3-179.963.2-173.9-174.300112.3Y109 R110 L112E92-Y109 CarbonylContact O-C 3.53Å; E92-Y109 WeakPolarHBondContact O-CA 3.39Å; E92-Y109 WeakPolarHBondContact O-CD1 3.43Å; E92-R110 HydrophobicContact CG-CB 4.06Å; E92-R110 PolarHBondContact N-O 3.09Å; E92-R110 PolarHBondContact O-N 2.84Å; E92-R110 IonicContact OE1-CZ 3.37Å; E92-R110 IonicContact OE1-NE 3.92Å; E92-R110 PolarHBondContact OE1-NE 3.33Å; E92-R110 IonicContact OE1-NH2 2.63Å; E92-R110 PolarHBondContact OE1-NH2 3.31Å; E92-L112 HydrophobicContact CG-CD2 4.45Å; E92-L112 HydrophobicContact CG-CG 4.47Å; E92-L112 WeakPolarHBondContact OE1-CD2 3.35Å
93E95.7Very high93.1Very high50 Ų5075.2 Ų75.223%0.23441%0.409CS..EExtended strand (participates in β ladder)trans-90.2110.7180-167.6168.5126.600110.1K95 R107 Y109E93-K95 VanDerWaalsContact C-N 3.34Å; E93-K95 HydrophobicContact CG-CG 4.4Å; E93-K95 PolarHBondContact O-N 2.83Å; E93-R107 VanDerWaalsContact CD-NH1 3.34Å; E93-R107 IonicContact OE1-CZ 3.36Å; E93-R107 VanDerWaalsContact OE1-CZ 3.31Å; E93-R107 IonicContact OE1-NE 3.7Å; E93-R107 IonicContact OE1-NH1 3.7Å; E93-R107 PolarHBondContact OE1-NH1 3.28Å; E93-R107 IonicContact OE1-NH2 2.78Å; E93-R107 PolarHBondContact OE1-NH2 3.15Å; E93-R107 IonicContact OE2-CZ 2.69Å; E93-R107 IonicContact OE2-NH1 3.04Å; E93-R107 PolarHBondContact OE2-NH1 2.88Å; E93-Y109 HydrophobicContact CB-CD1 3.93Å; E93-Y109 HydrophobicContact CB-CE1 3.55Å; E93-Y109 HydrophobicContact CG-CD1 4.25Å; E93-Y109 HydrophobicContact CG-CE1 3.67Å; E93-Y109 WeakPolarHBondContact OE2-CE1 3.18Å; E93-Y109 PolarHBondContact OE2-OH 3.36Å
94V95.8Very high92.7Very high25 Ų2575 Ų7515%0.15241%0.408CS..  trans-80.384.3178-174.30000108.3D96 Q97 S98 V108 R110V94-D96 VanDerWaalsContact C-N 3.27Å; V94-D96 PolarHBondContact O-N 3.11Å; V94-Q97 HydrophobicContact CG1-CB 4.09Å; V94-Q97 HydrophobicContact CG1-CG 3.92Å; V94-Q97 PolarHBondContact O-N 3.25Å; V94-S98 PolarHBondContact O-N 3.47Å; V94-S98 PolarHBondContact O-OG 3Å; V94-V108 HydrophobicContact CB-CB 4.24Å; V94-V108 HydrophobicContact CB-CG1 4.03Å; V94-V108 HydrophobicContact CG2-CG1 4.46Å; V94-V108 PolarHBondContact N-O 3.16Å; V94-R110 HydrophobicContact CG2-CB 3.88Å
95K94.1Very high92.7Very high142 Ų14274.5 Ų74.562%0.61740%0.404SS*.G310 helixtrans-61.6-34.7-173.5-69.1178.6-177.2173.40113E93 Q97 S98E93-K95 VanDerWaalsContact C-N 3.34Å; E93-K95 HydrophobicContact CG-CG 4.4Å; E93-K95 PolarHBondContact O-N 2.83Å; K95-Q97 PolarHBondContact O-N 2.87Å; K95-S98 WeakPolarHBondContact O-CB 3.46Å; K95-S98 PolarHBondContact O-N 3.02Å
96D94.4Very high92.7Very high160 Ų16075 Ų7586%0.85641%0.408SS*.G310 helixtrans-68.9-24.2-174.3-43.4-59.3000112.4V94V94-D96 VanDerWaalsContact C-N 3.27Å; V94-D96 PolarHBondContact O-N 3.11Å
97Q91.9Very high92.8Very high104 Ų10472.2 Ų72.249%0.48639%0.389SS..G310 helixtrans-97-0.8172.9-61.6-179.1-3.800112.9V94 K95 V108V94-Q97 HydrophobicContact CG1-CB 4.09Å; V94-Q97 HydrophobicContact CG1-CG 3.92Å; V94-Q97 PolarHBondContact O-N 3.25Å; K95-Q97 PolarHBondContact O-N 2.87Å; Q97-V108 HydrophobicContact CB-CB 4.01Å; Q97-V108 HydrophobicContact CB-CG1 4.21Å; Q97-V108 HydrophobicContact CB-CG2 3.82Å; Q97-V108 VanDerWaalsContact O-CG2 3.3Å; Q97-V108 WeakPolarHBondContact O-CG2 3.37Å
98S94.1Very high93Very high15 Ų1568.1 Ų68.111%0.10536%0.361CS..  trans-94.1116.8-171.6-66.80000113.6V94 K95 N100 V106 V108V94-S98 PolarHBondContact O-N 3.47Å; V94-S98 PolarHBondContact O-OG 3Å; K95-S98 WeakPolarHBondContact O-CB 3.46Å; K95-S98 PolarHBondContact O-N 3.02Å; S98-N100 PolarHBondContact O-N 2.8Å; S98-V106 CarbonylContact C-O 3.53Å; S98-V108 PolarHBondContact OG-N 3.27Å
99R94Very high93.2Very high131 Ų13166.8 Ų66.849%0.49435%0.353SS..  trans-85.995176-177.4169.659.7-139.4-6.7111.6K101 S104 A105 V106R99-K101 VanDerWaalsContact C-N 3.32Å; R99-K101 PolarHBondContact O-N 2.93Å; R99-S104 VanDerWaalsContact CZ-O 3.31Å; R99-S104 PolarHBondContact NE-O 2.81Å; R99-S104 PolarHBondContact NE-OG 3.38Å; R99-S104 PolarHBondContact NH2-O 2.9Å; R99-S104 PolarHBondContact NH2-OG 2.83Å; R99-A105 CarbonylContact O-C 3.44Å; R99-A105 WeakPolarHBondContact O-CA 3.38Å; R99-A105 WeakPolarHBondContact O-CB 3.29Å; R99-V106 CarbonylContact C-O 3.57Å; R99-V106 HydrophobicContact CB-CG2 3.93Å; R99-V106 PolarHBondContact N-O 2.91Å; R99-V106 PolarHBondContact O-N 2.81Å
100N90.8Very high93.4Very high103 Ų10366.1 Ų66.155%0.55134%0.338SS*.  trans-80.83.7-177.9-69.1-43.5000115.9S98S98-N100 PolarHBondContact O-N 2.8Å
101K88.9Confident93.5Very high177 Ų17764.6 Ų64.677%0.7733%0.329SS*.SBendtrans-126.4157.1-174-63.1-178.7-178.1179.20111.8R99R99-K101 VanDerWaalsContact C-N 3.32Å; R99-K101 PolarHBondContact O-N 2.93Å
102G88.3Confident93.4Very high47 Ų4765.7 Ų65.749%0.48534%0.335SS..SBendtrans86.9-176.7174.400000115.4
103S85.8Confident93.1Very high85 Ų8567.3 Ų67.359%0.59435%0.352SS*.THydrogen-bonded Turntrans-71-33173.149.10000112.2K39 A105K39-S103 WeakPolarHBondContact CD-O 3.35Å; K39-S103 WeakPolarHBondContact CG-O 3.46Å; S103-A105 VanDerWaalsContact C-N 3.29Å; S103-A105 PolarHBondContact O-N 3.42Å
104S88.8Confident92.1Very high64 Ų6469.6 Ų69.645%0.44837%0.371SS..THydrogen-bonded Turntrans-91.830.1179.459.90000113.3R99 V106R99-S104 VanDerWaalsContact CZ-O 3.31Å; R99-S104 PolarHBondContact NE-O 2.81Å; R99-S104 PolarHBondContact NE-OG 3.38Å; R99-S104 PolarHBondContact NH2-O 2.9Å; R99-S104 PolarHBondContact NH2-OG 2.83Å; S104-V106 PolarHBondContact O-N 2.98Å
105A94.3Very high90.5Very high10 Ų1071.3 Ų71.38%0.08338%0.379CS..  trans-63.5129.9-179.500000111.4W38 R99 S103W38-A105 PolarHBondContact N-O 2.99Å; R99-A105 CarbonylContact O-C 3.44Å; R99-A105 WeakPolarHBondContact O-CA 3.38Å; R99-A105 WeakPolarHBondContact O-CB 3.29Å; S103-A105 VanDerWaalsContact C-N 3.29Å; S103-A105 PolarHBondContact O-N 3.42Å
106V96.1Very high88.9Confident16 Ų1669.3 Ų69.310%0.09738%0.379CS..EExtended strand (participates in β ladder)trans-136.1149.2-178.1-71.10000110.6I36 S98 R99 S104I36-V106 WeakPolarHBondContact O-CA 3.45Å; S98-V106 CarbonylContact C-O 3.53Å; R99-V106 CarbonylContact C-O 3.57Å; R99-V106 HydrophobicContact CB-CG2 3.93Å; R99-V106 PolarHBondContact N-O 2.91Å; R99-V106 PolarHBondContact O-N 2.81Å; S104-V106 PolarHBondContact O-N 2.98Å
107R96.6Very high87.2Confident43 Ų4370.7 Ų70.716%0.16238%0.377CS..EExtended strand (participates in β ladder)trans-115.1134.2169.4-71-175.1167.2-139.2-24.7110Q35 I36 W38 E93 Y109Q35-R107 CarbonylContact C-O 3.46Å; Q35-R107 VanDerWaalsContact CA-O 3.32Å; Q35-R107 WeakPolarHBondContact CA-O 3.37Å; I36-R107 PolarHBondContact N-O 3.34Å; I36-R107 PolarHBondContact O-N 3.42Å; W38-R107 HydrophobicContact CB-CG 3.98Å; W38-R107 VanDerWaalsContact CD2-CD 3.49Å; W38-R107 HydrophobicContact CD2-CG 4.1Å; W38-R107 HydrophobicContact CE3-CG 4.41Å; W38-R107 HydrophobicContact CG-CG 3.9Å; E93-R107 VanDerWaalsContact CD-NH1 3.34Å; E93-R107 IonicContact OE1-CZ 3.36Å; E93-R107 VanDerWaalsContact OE1-CZ 3.31Å; E93-R107 IonicContact OE1-NE 3.7Å; E93-R107 IonicContact OE1-NH1 3.7Å; E93-R107 PolarHBondContact OE1-NH1 3.28Å; E93-R107 IonicContact OE1-NH2 2.78Å; E93-R107 PolarHBondContact OE1-NH2 3.15Å; E93-R107 IonicContact OE2-CZ 2.69Å; E93-R107 IonicContact OE2-NH1 3.04Å; E93-R107 PolarHBondContact OE2-NH1 2.88Å; R107-Y109 HydrophobicContact CB-CD2 4.29Å; R107-Y109 HydrophobicContact CB-CE2 3.59Å; R107-Y109 WeakPolarHBondContact CD-OH 3.43Å; R107-Y109 PolarHBondContact NH1-OH 3.4Å; R107-Y109 VanDerWaalsContact NH1-OH 3.1Å
108V97.3Very high85.4Confident2 Ų272.5 Ų72.51%0.01239%0.39CS..EExtended strand (participates in β ladder)trans-100.1136.1176.7-176.20000109.4I27 I33 F34 Q35 V94 Q97 S98I27-V108 HydrophobicContact CD1-CB 4.49Å; I27-V108 HydrophobicContact CD1-CG1 3.92Å; I27-V108 HydrophobicContact CD1-CG2 3.73Å; I33-V108 HydrophobicContact CG2-CG1 3.38Å; F34-V108 WeakPolarHBondContact O-CA 3.23Å; Q35-V108 HydrophobicContact CB-CG2 4.36Å; V94-V108 HydrophobicContact CB-CB 4.24Å; V94-V108 HydrophobicContact CB-CG1 4.03Å; V94-V108 HydrophobicContact CG2-CG1 4.46Å; V94-V108 PolarHBondContact N-O 3.16Å; Q97-V108 HydrophobicContact CB-CB 4.01Å; Q97-V108 HydrophobicContact CB-CG1 4.21Å; Q97-V108 HydrophobicContact CB-CG2 3.82Å; Q97-V108 VanDerWaalsContact O-CG2 3.3Å; Q97-V108 WeakPolarHBondContact O-CG2 3.37Å; S98-V108 PolarHBondContact OG-N 3.27Å
109Y97Very high83.5Confident5 Ų576.2 Ų76.22%0.0241%0.406CS..EExtended strand (participates in β ladder)trans-130.2147.2179.2-70.3-83.3000109.9I33 F34 I36 M85 I91 E92 E93 R107I33-Y109 WeakPolarHBondContact CA-O 3.19Å; F34-Y109 VanDerWaalsContact CD1-O 3.27Å; F34-Y109 WeakPolarHBondContact CD1-O 3.39Å; F34-Y109 HydrophobicContact CE2-CD2 4.43Å; F34-Y109 VanDerWaalsContact CZ-CB 3.43Å; F34-Y109 HydrophobicContact CZ-CG 4.25Å; F34-Y109 PolarHBondContact N-O 3.07Å; F34-Y109 PolarHBondContact O-N 3.06Å; I36-Y109 HydrophobicContact CD1-CD2 3.68Å; I36-Y109 HydrophobicContact CD1-CE2 3.7Å; I36-Y109 HydrophobicContact CG1-CD2 3.95Å; I36-Y109 HydrophobicContact CG1-CE2 4.2Å; M85-Y109 HydrophobicContact CE-CD1 3.58Å; M85-Y109 HydrophobicContact CE-CD2 3.94Å; M85-Y109 HydrophobicContact CE-CE1 3.8Å; M85-Y109 HydrophobicContact CE-CE2 4.12Å; M85-Y109 HydrophobicContact CE-CG 3.68Å; I91-Y109 HydrophobicContact CG2-CD1 4.17Å; I91-Y109 HydrophobicContact CG2-CG 4.46Å; E92-Y109 CarbonylContact O-C 3.53Å; E92-Y109 WeakPolarHBondContact O-CA 3.39Å; E92-Y109 WeakPolarHBondContact O-CD1 3.43Å; E93-Y109 HydrophobicContact CB-CD1 3.93Å; E93-Y109 HydrophobicContact CB-CE1 3.55Å; E93-Y109 HydrophobicContact CG-CD1 4.25Å; E93-Y109 HydrophobicContact CG-CE1 3.67Å; E93-Y109 WeakPolarHBondContact OE2-CE1 3.18Å; E93-Y109 PolarHBondContact OE2-OH 3.36Å; R107-Y109 HydrophobicContact CB-CD2 4.29Å; R107-Y109 HydrophobicContact CB-CE2 3.59Å; R107-Y109 WeakPolarHBondContact CD-OH 3.43Å; R107-Y109 PolarHBondContact NH1-OH 3.4Å; R107-Y109 VanDerWaalsContact NH1-OH 3.1Å
110R96.1Very high81.7Confident89 Ų8979.1 Ų79.134%0.33642%0.417SS..EExtended strand (participates in β ladder)trans-116.8129.7173-176.516566.6172.90.6109.8E31 M32 I33 I91 E92 V94E31-R110 WeakPolarHBondContact O-CG 3.41Å; M32-R110 WeakPolarHBondContact O-CA 3.44Å; I33-R110 HydrophobicContact CG1-CB 4.13Å; I33-R110 HydrophobicContact CG1-CG 3.92Å; I91-R110 WeakPolarHBondContact CA-O 3.42Å; E92-R110 HydrophobicContact CG-CB 4.06Å; E92-R110 PolarHBondContact N-O 3.09Å; E92-R110 PolarHBondContact O-N 2.84Å; E92-R110 IonicContact OE1-CZ 3.37Å; E92-R110 IonicContact OE1-NE 3.92Å; E92-R110 PolarHBondContact OE1-NE 3.33Å; E92-R110 IonicContact OE1-NH2 2.63Å; E92-R110 PolarHBondContact OE1-NH2 3.31Å; V94-R110 HydrophobicContact CG2-CB 3.88Å
111M95.2Very high80Confident3 Ų382.6 Ų82.62%0.01543%0.427CS..EExtended strand (participates in β ladder)trans-86.3115170.4-49.5-162.5-172.800109.6R9 L12 E13 I16 W26 M32 F34 I91R9-M111 HydrophobicContact CG-SD 3.93Å; L12-M111 HydrophobicContact CD2-CE 4.41Å; L12-M111 HydrophobicContact CG-CE 4.28Å; E13-M111 HydrophobicContact CB-CE 4.17Å; E13-M111 HydrophobicContact CB-SD 4.4Å; I16-M111 HydrophobicContact CD1-CE 3.68Å; W26-M111 HydrophobicContact CH2-CE 3.87Å; W26-M111 HydrophobicContact CH2-SD 4.25Å; W26-M111 HydrophobicContact CZ3-CE 4.47Å; M32-M111 HydrophobicContact CB-CB 3.97Å; M32-M111 PolarHBondContact O-N 3.35Å; F34-M111 HydrophobicContact CD1-CE 4.04Å; F34-M111 HydrophobicContact CD1-CG 4.18Å; F34-M111 HydrophobicContact CE1-CE 3.52Å; F34-M111 HydrophobicContact CE1-CG 3.55Å; F34-M111 HydrophobicContact CE1-SD 4.42Å; F34-M111 HydrophobicContact CZ-CE 3.8Å; F34-M111 HydrophobicContact CZ-CG 4.45Å; I91-M111 HydrophobicContact CD1-CE 4.3Å; I91-M111 HydrophobicContact CD1-CG 4.03Å; I91-M111 HydrophobicContact CD1-SD 4.16Å; I91-M111 HydrophobicContact CG1-CB 4.39Å; I91-M111 HydrophobicContact CG1-CG 4.1Å
112L92.3Very high78.4Confident38 Ų3878.7 Ų78.720%0.19941%0.412CS..PPolyproline II helixtrans-69.7147.6178.8-64.8176.8000110.6R9 D90 E92R9-L112 VanDerWaalsContact CZ-O 3.24Å; R9-L112 PolarHBondContact NH1-O 3.44Å; R9-L112 PolarHBondContact NH2-O 3.1Å; D90-L112 PolarHBondContact O-N 3.07Å; E92-L112 HydrophobicContact CG-CD2 4.45Å; E92-L112 HydrophobicContact CG-CG 4.47Å; E92-L112 WeakPolarHBondContact OE1-CD2 3.35Å
113P86.8Confident76.8Confident104 Ų10483.4 Ų83.468%0.67542%0.415SS*.PPolyproline II helixtrans-53137.5172.2-27.935.7000111.5L115P113-L115 PolarHBondContact O-N 3.25Å; P113-L115 VanDerWaalsContact O-N 3.08Å
114P76.3Confident75.2Confident98 Ų9887.2 Ų87.264%0.63642%0.421SS*.PPolyproline II helixtrans-56.6117.9179.2-25.434.5000111.1T116P114-T116 PolarHBondContact O-N 3.22Å
115L62.6Low73.5Confident62 Ų6287 Ų8733%0.32542%0.419SS..  trans-54.9112.1-177.9-94.170.1000110.5P113 Q119P113-L115 PolarHBondContact O-N 3.25Å; P113-L115 VanDerWaalsContact O-N 3.08Å; L115-Q119 HydrophobicContact CB-CB 4.27Å; L115-Q119 HydrophobicContact CD2-CB 3.98Å; L115-Q119 HydrophobicContact CG-CB 4.02Å
116T59.6Low71.6Confident99 Ų9992.4 Ų92.461%0.60744%0.441SS*.  trans-57148.5173.161.50000109.4P114 N118 Q119P114-T116 PolarHBondContact O-N 3.22Å; T116-N118 PolarHBondContact O-N 3.46Å; T116-Q119 PolarHBondContact O-N 2.87Å
117K59.1Low69.5Low189 Ų18995.5 Ų95.582%0.82246%0.463SS*.THydrogen-bonded Turntrans-55.8-26-162.1-64.4176.3-176.6172.80113.8
118N53.8Low67.4Low142 Ų14296.9 Ų96.976%0.75948%0.479SS*.THydrogen-bonded Turntrans-67.3-41.9178.6-61.56.6000112.6T116 R120 K121T116-N118 PolarHBondContact O-N 3.46Å; N118-R120 PolarHBondContact O-N 3.36Å; N118-K121 PolarHBondContact O-N 3.33Å
119Q54.5Low65.3Low94 Ų94106.2 Ų106.244%0.43951%0.514SS..Hα-helixtrans-63.6-25.3-178.1-76.4-75.7-1.400113.5L115 T116 K121 E122L115-Q119 HydrophobicContact CB-CB 4.27Å; L115-Q119 HydrophobicContact CD2-CB 3.98Å; L115-Q119 HydrophobicContact CG-CB 4.02Å; T116-Q119 PolarHBondContact O-N 2.87Å; Q119-K121 VanDerWaalsContact C-N 3.29Å; Q119-K121 PolarHBondContact O-N 3.33Å; Q119-E122 PolarHBondContact O-N 3.11Å
120R55.2Low63.2Low191 Ų191111.7 Ų111.772%0.72154%0.544SS*.Hα-helixtrans-65.9-26.5179.2-79.8-171.6171.3-164.1-3.3113.9N118N118-R120 PolarHBondContact O-N 3.36Å
121K55.2Low61.3Low177 Ų177111.3 Ų111.377%0.7756%0.56SS**Hα-helixtrans-72.6-33.5178.4-75.1-172.7174.4-177.30112.4N118 Q119N118-K121 PolarHBondContact O-N 3.33Å; Q119-K121 VanDerWaalsContact C-N 3.29Å; Q119-K121 PolarHBondContact O-N 3.33Å
122E55.5Low59.1Low94 Ų94119.7 Ų119.744%0.43960%0.596SS.*Hα-helixtrans-81.4-40-172.7-157.3-164.6124.100113.4Q119 K124 S125 K126Q119-E122 PolarHBondContact O-N 3.11Å; E122-K124 PolarHBondContact O-N 2.93Å; E122-S125 PolarHBondContact O-N 3.49Å; E122-S125 PolarHBondContact O-OG 3.42Å; E122-K126 PolarHBondContact O-N 3.39Å; E122-K126 WeakPolarHBondContact OE1-CE 3.36Å; E122-K126 IonicContact OE1-NZ 2.63Å; E122-K126 PolarHBondContact OE1-NZ 2.95Å
123R55.1Low57.3Low146 Ų146122.5 Ų122.555%0.55162%0.619SS**Hα-helixtrans-67.5-20.2177.7-61.9-173.178.8-176.25.3112.9S127R123-S127 PolarHBondContact O-OG 2.83Å
124K51.8Low55.8Low165 Ų165127 Ų12772%0.71763%0.628SS**Hα-helixtrans-75-26.4175.6-176.263.1176.3-178.60113.3E122E122-K124 PolarHBondContact O-N 2.93Å
125S53.2Low54.9Low59 Ų59126.5 Ų126.541%0.41363%0.632SS.*Hα-helixtrans-98-14.9-179.351.80000114.1E122 S128E122-S125 PolarHBondContact O-N 3.49Å; E122-S125 PolarHBondContact O-OG 3.42Å; S125-S128 PolarHBondContact O-OG 2.83Å
126K53.5Low54.4Low124 Ų124132.5 Ų132.554%0.53966%0.656SS.*Hα-helixtrans-72.8-55.7169-78.8171.8170.4168.70111.5E122 S128 R129E122-K126 PolarHBondContact O-N 3.39Å; E122-K126 WeakPolarHBondContact OE1-CE 3.36Å; E122-K126 IonicContact OE1-NZ 2.63Å; E122-K126 PolarHBondContact OE1-NZ 2.95Å; K126-S128 PolarHBondContact O-N 3.18Å; K126-R129 PolarHBondContact O-N 3.19Å
127S52Low54Low81 Ų81139.6 Ų139.657%0.56667%0.671SS**Hα-helixtrans-65.3-12.3-176.859.10000115.9R123R123-S127 PolarHBondContact O-OG 2.83Å
128S53Low53.6Low72 Ų72140.7 Ų140.750%0.50368%0.676SS.*Hα-helixtrans-79.6-15.6172.854.30000114.2S125 K126S125-S128 PolarHBondContact O-OG 2.83Å; K126-S128 PolarHBondContact O-N 3.18Å
129R52.7Low52.7Low198 Ų198138.6 Ų138.675%0.74767%0.673SS**Hα-helixtrans-83.5-45-177-68.5-178.3174.3-173.8-3.3111.8K126 A131 K132K126-R129 PolarHBondContact O-N 3.19Å; R129-A131 PolarHBondContact O-N 3.37Å; R129-K132 PolarHBondContact O-N 3.03Å; R129-K132 VanDerWaalsContact O-N 3.09Å
130D53.1Low51.8Low120 Ų120140.3 Ų140.364%0.64269%0.693SS**Hα-helixtrans-64.8-24.5-178.2-55.1-73.3000113.7K132 S133D130-K132 VanDerWaalsContact C-N 3.31Å; D130-K132 PolarHBondContact O-N 2.77Å; D130-S133 PolarHBondContact O-OG 3.12Å
131A56.2Low51Low82 Ų82134.7 Ų134.768%0.67870%0.695SS**THydrogen-bonded Turntrans-70-23.6175.200000113.7R129R129-A131 PolarHBondContact O-N 3.37Å
132K49.8Very low49.9Very low178 Ų178133.8 Ų133.877%0.77470%0.699SS**THydrogen-bonded Turntrans-100.8-14.6-170.7-160.3161.1-175.4171.50114.3R129 D130R129-K132 PolarHBondContact O-N 3.03Å; R129-K132 VanDerWaalsContact O-N 3.09Å; D130-K132 VanDerWaalsContact C-N 3.31Å; D130-K132 PolarHBondContact O-N 2.77Å
133S54.8Low49Very low97 Ų97134.5 Ų134.568%0.67872%0.715SS**G310 helixtrans-74.8-23.8179.7560000114.2D130 A135D130-S133 PolarHBondContact O-OG 3.12Å; S133-A135 PolarHBondContact O-N 3.3Å
134K55.6Low48.2Very low198 Ų198132.8 Ų132.886%0.86173%0.725SS**G310 helixtrans-84.7-4.9-173.7-151.1173.1-176.3178.70115
135A55.6Low48.3Very low88 Ų88130.3 Ų130.373%0.72773%0.725SS**G310 helixtrans-100.1-1.5-165.700000116.3S133S133-A135 PolarHBondContact O-N 3.3Å
136K53.6Low47.4Very low189 Ų189134.2 Ų134.282%0.82274%0.742SS**  trans-136.870-173.1-162.1166.4-177.3174.20114.8
137R51.4Low46.7Very low247 Ų247133.4 Ų133.493%0.93275%0.747SS**  trans-144.372.2162.3-72.1-16671.8174.11.4112.2
138K49.1Very low46Very low213 Ų213138 Ų13893%0.92676%0.757SS**  trans-167.698.1160.1-114.1177.6-178.6-173.40111.9
139S36.7Very low45.4Very low98 Ų98139.7 Ų139.769%0.68577%0.769SS**  trans-172.999.6165.851.70000105
140C34.4Very low44.6Very low129 Ų129137.4 Ų137.487%0.87277%0.772SS**  51.1126.9110.870.70000114.2
141G37.7Very low43.9Very low74 Ų74134.5 Ų134.576%0.76377%0.77SS**  trans-117-169.6-179.100000112.9
142D32.6Very low43.2Very low157 Ų157138.5 Ų138.584%0.8478%0.779SS**  trans66.597.3163.4-16323.3000118.7
143S36.8Very low42.7Very low110 Ų110135.3 Ų135.377%0.76978%0.779SS**  -178155.9118.3-83.50000113.5
144S37.8Very low42Very low109 Ų109136.1 Ų136.176%0.76279%0.785SS**  trans-38.6152.5-177.6-161.80000119
145P54.4Low41Very low113 Ų113131.4 Ų131.473%0.73478%0.777SS**  trans-81.4157161.936-35.6000112.4
146D34.3Very low40.1Very low141 Ų141133 Ų13375%0.75478%0.778SS**  -172.3175.4128.6-133.8-42.7000113.3
147T39.4Very low39.8Very low107 Ų107131.8 Ų131.866%0.65678%0.78SS**  trans77.696.5163.565.10000121.9
148F36.4Very low39.6Very low178 Ų178126.1 Ų126.178%0.78178%0.775SS**  45.7139126.3-38.3-54.4000124.8
149S41.5Very low39.6Very low107 Ų107123.3 Ų123.375%0.74877%0.77SS**  trans65.4153.1149.8-76.60000119
150D36Very low39.9Very low151 Ų151124.2 Ų124.281%0.80777%0.767SS**  cis-160168.5-23.3-125.7-62.3000110.4
151G37.1Very low40.5Very low58 Ų58125.9 Ų125.960%0.59876%0.761SS**  trans89.4126.114600000121.7
152L43Very low40.9Very low166 Ų166127.6 Ų127.687%0.86976%0.762SS**  trans70.293.2133.5-47.9-172.8000121.1
153S38.8Very low41.4Very low111 Ų111125.6 Ų125.678%0.77676%0.76SS**  35.3112.3116.9-57.90000121.5
154S39.6Very low41.5Very low115 Ų115130.5 Ų130.580%0.80476%0.763SS**  53.3125.4118.2-161.60000120.8
155S34.4Very low41.8Very low98 Ų98130 Ų13069%0.68576%0.756SS**  158.5177.3103.1-160.30000113.3
156T37.3Very low41.1Very low123 Ų123131.1 Ų131.176%0.75576%0.761SS**  trans61.8110.6161.652.30000119.9
157L46.9Very low41.9Very low163 Ų163130.1 Ų130.185%0.85376%0.761SS**  trans-66.3161.7135.8-60.4171.5000109.5
158P47.9Very low41.7Very low128 Ų128128.3 Ų128.383%0.83177%0.765SS**  -122.8175.4118.936.2-33.5000113
159D47.5Very low41.8Very low154 Ų154130.2 Ų130.282%0.82477%0.768SS**  trans-118.7168.4-170.7-172.2-145.4000111.7
160D43.5Very low41.7Very low116 Ų116132.7 Ų132.762%0.6277%0.77SS**  trans70.5174.8163.2-164.944.4000119.6
161H47.4Very low41.8Very low164 Ų164132.3 Ų132.376%0.75976%0.763SS**  trans92.774.5177.2-52.8-7.1000112.7
162S47Very low41.6Very low110 Ų110135.4 Ų135.477%0.76977%0.766SS**  78.2129.764.6-1660000113.4
163S42.1Very low41.7Very low116 Ų116134.8 Ų134.881%0.81176%0.763SS**  trans-89.2125.2-162.4-46.60000114.1
164Y38.7Very low41.9Very low212 Ų212138.2 Ų138.283%0.83177%0.766SS**  trans-159150.3151.3-148-132.6000116.4
165T44.8Very low42Very low100 Ų100139.3 Ų139.361%0.61377%0.768SS**  trans48.5120.7158.539.50000124.2
166V40.3Very low42.3Very low136 Ų136142.7 Ų142.782%0.82477%0.773SS**  trans-85.9140.1139.5167.80000106.7
167P50.3Low42.3Very low119 Ų119145.8 Ų145.877%0.77378%0.779SS**  -158162.777.641.6-20.2000120.7
168G35.4Very low41.8Very low70 Ų70142.3 Ų142.372%0.72277%0.773SS**  trans86.3159.816200000116.7
169Y37.8Very low41.4Very low218 Ų218143.8 Ų143.886%0.85577%0.773SS**  cis-173.5157.5-4.357.7-89.1000110.3
170M38.9Very low41.1Very low158 Ų158142.7 Ų142.778%0.77877%0.772SS**  cis-102.9-96.9-27.4-73.917463.100110.3
171Q39.9Very low40.9Very low144 Ų144143.5 Ų143.567%0.67378%0.784SS**  cis-168.9151.9-15.6-155.211723.600106.7
172D31.6Very low40.4Very low122 Ų122140.2 Ų140.265%0.65279%0.786SS**  cis-157-167.2-5.1-141.2-51.2000110.6
173L45.7Very low40.5Very low154 Ų154143.7 Ų143.781%0.80680%0.795SS**  trans72.569.1166.3-97.577000120
174E41.9Very low40.6Very low182 Ų182143.2 Ų143.285%0.8579%0.791SS**  25.6126.8115.9-165.3170.313000122
175V41.8Very low40.7Very low139 Ų139139 Ų13984%0.84279%0.789SS**  -165148.3122.7139.70000109.8
176E40.8Very low40.3Very low168 Ų168140.2 Ų140.279%0.78580%0.801SS**  trans-69.7151-177.3-64.4-17286.700115.3
177Q37.4Very low40.2Very low189 Ų189138.4 Ų138.488%0.88380%0.8SS**  -178.3165.7102.7-94.8177.212.300111.9
178A38.2Very low39.8Very low89 Ų89139 Ų13974%0.73680%0.801SS**  trans-129.8168.5-16600000114.8
179L39.1Very low39.8Very low159 Ų159141.3 Ų141.383%0.83281%0.807SS**  trans94.8139.8164-51178.9000119.2
180T39.8Very low39.7Very low131 Ų131136 Ų13680%0.80480%0.801SS**  trans71.2117.8167.169.80000119.5
181P40.1Very low39.8Very low134 Ų134135.3 Ų135.387%0.8781%0.806SS**  trans-97.2110.3155.633.2-25.4000110.4
182A37.7Very low40.2Very low95 Ų95136.1 Ų136.179%0.78581%0.814SS**  trans-90.6146.8171.700000111.5
183L47.5Very low40.9Very low183 Ų183135.3 Ų135.396%0.95882%0.815SS**  trans-71.8133.8-178.7-61.4172.1000111.4
184S44.2Very low40.3Very low105 Ų105133.9 Ų133.973%0.73481%0.809SS**  trans-128.3128.3175.4-173.80000111.2
185P42.1Very low40.3Very low123 Ų123135.9 Ų135.980%0.79981%0.809SS**  trans-88.1112.4-178.232.9-31.9000112.1A187P185-A187 PolarHBondContact O-N 3.17Å; P185-A187 VanDerWaalsContact O-N 3.13Å
186C35.2Very low40.1Very low127 Ų127136.8 Ų136.886%0.85880%0.803SS**  trans-72.1103.6174.8-62.30000111.8
187A39.7Very low40.4Very low97 Ų97135.7 Ų135.780%0.80280%0.801SS**  trans-73.9143.7166.200000111.1P185P185-A187 PolarHBondContact O-N 3.17Å; P185-A187 VanDerWaalsContact O-N 3.13Å
188V40.8Very low41.1Very low131 Ų131132.2 Ų132.279%0.79480%0.795SS**  trans-95.8116.1-179.3177.30000110.5
189S35Very low41.5Very low120 Ų120134.3 Ų134.384%0.83980%0.798SS**  trans-91.6103.1169.8-61.90000110.9
190S37.1Very low41.8Very low107 Ų107135.2 Ų135.275%0.74880%0.798SS**  trans-87.4115.6169.9-65.50000110.4L192S190-L192 PolarHBondContact O-N 3.15Å
191T40.5Very low42Very low142 Ų142135.6 Ų135.687%0.87180%0.8SS**  trans-75.3118.7174.951.90000111.3
192L48.3Very low42.4Very low161 Ų161135.1 Ų135.184%0.84379%0.794SS**  trans-113.5141.7168.3-102.3168.2000109.5S190S190-L192 PolarHBondContact O-N 3.15Å
193P45.5Very low43.3Very low105 Ų105136.1 Ų136.168%0.68279%0.793SS**  trans-70.6138.7177.8-18.532.8000112.9
194D34.1Very low42.8Very low125 Ų125134.7 Ų134.767%0.66879%0.787SS**  trans-68.3148.3172.9174.639000112.6H196D194-H196 IonicContact OD1-CD2 3.5Å; D194-H196 IonicContact OD2-CD2 2.7Å; D194-H196 PolarHBondContact OD2-CD2 3.04Å
195W41.4Very low43Very low224 Ų224133.7 Ų133.785%0.84878%0.779SS**  trans-138.579.4175.5-82.590000109.7I197W195-I197 PolarHBondContact O-N 2.69Å
196H36.8Very low43.3Very low158 Ų158134.1 Ų134.173%0.73178%0.78SS**  trans-62.7124174.2-112.4-105.7000112.2D194D194-H196 IonicContact OD1-CD2 3.5Å; D194-H196 IonicContact OD2-CD2 2.7Å; D194-H196 PolarHBondContact OD2-CD2 3.04Å
197I47.3Very low43.9Very low145 Ų145133 Ų13374%0.74477%0.774SS**  trans-127.9112.4167.2-59177.1000107.9W195W195-I197 PolarHBondContact O-N 2.69Å
198P51.8Low44.3Very low115 Ų115136.3 Ų136.375%0.74778%0.778SS**  trans-102.3107.6179.334.6-27.6000112.1
199V47.2Very low44.3Very low133 Ų133137 Ų13781%0.80678%0.776SS**  trans-139.6140.2160.8-176.60000108
200E45.4Very low45.1Very low179 Ų179140.6 Ų140.684%0.83677%0.773SS**  trans-71.8154.8-174.9-61.5-177.3118.700113.4
201V45Very low45.5Very low138 Ų138142.6 Ų142.684%0.83678%0.775SS**  trans-97.2111.9175-179.80000109.4
202V47.6Very low45.7Very low124 Ų124143.3 Ų143.375%0.75277%0.767SS**  trans-114.2120.9169.7-178.70000108.6
203P56.6Low46.2Very low117 Ų117145 Ų14576%0.7677%0.77SS**  trans-102.794.6-17736-29.9000112.3
204D37.6Very low46.4Very low153 Ų153146.2 Ų146.282%0.81878%0.775SS**  trans-157.6144164.2-153.842.9000106.6
205S47.2Very low47.1Very low83 Ų83145.6 Ų145.658%0.5878%0.781SS**  cis171.2163.6-22.4176.80000103.9
206T48.3Very low48Very low133 Ų133140.9 Ų140.982%0.81678%0.779SS**  trans65.9157177.4710000117.4
207S49.1Very low48.3Very low104 Ų104141.7 Ų141.773%0.72779%0.785SS**  trans-38.8142.7-17949.40000117.8
208D47.5Very low48.2Very low165 Ų165140.3 Ų140.388%0.88279%0.786SS**  -142.1155.5106.3-130.9-32000114
209L41.7Very low48.3Very low147 Ų147140.2 Ų140.277%0.7779%0.788SS**  trans-80.2153.5-163.5-176.161.9000113.4N211L209-N211 PolarHBondContact O-N 3.2Å
210Y51.1Low48.5Very low194 Ų194140.2 Ų140.276%0.76179%0.788SS**  trans-51.3104.2171.4-84.9-102.1000112.2F212Y210-F212 HydrophobicContact CD1-CD2 4.3Å; Y210-F212 AromaticContact CD1-CE2 3.57Å; Y210-F212 HydrophobicContact CD1-CE2 3.57Å; Y210-F212 AromaticContact CD1-CZ 3.97Å; Y210-F212 HydrophobicContact CD1-CZ 3.97Å; Y210-F212 HydrophobicContact CE1-CE2 4.4Å; Y210-F212 HydrophobicContact CE1-CZ 4.45Å; Y210-F212 HydrophobicContact CG-CE2 4.02Å; Y210-F212 PolarHBondContact O-N 3.34Å
211N45.1Very low48.7Very low150 Ų150136.8 Ų136.880%0.80278%0.784SS**  trans-89.281.4172.5-155.4-29.3000110.3L209 Q213L209-N211 PolarHBondContact O-N 3.2Å; N211-Q213 PolarHBondContact O-N 2.94Å
212F45.3Very low49Very low157 Ų157139.4 Ų139.469%0.68979%0.787SS**  trans-65.7110.1173.1-82.8-86.3000110Y210 V214Y210-F212 HydrophobicContact CD1-CD2 4.3Å; Y210-F212 AromaticContact CD1-CE2 3.57Å; Y210-F212 HydrophobicContact CD1-CE2 3.57Å; Y210-F212 AromaticContact CD1-CZ 3.97Å; Y210-F212 HydrophobicContact CD1-CZ 3.97Å; Y210-F212 HydrophobicContact CE1-CE2 4.4Å; Y210-F212 HydrophobicContact CE1-CZ 4.45Å; Y210-F212 HydrophobicContact CG-CE2 4.02Å; Y210-F212 PolarHBondContact O-N 3.34Å; F212-V214 PolarHBondContact O-N 3.38Å
213Q58.2Low48.8Very low196 Ų196138.1 Ų138.192%0.91679%0.79SS**  trans-67.496.8176.5-67-178.9-4.200110.8N211N211-Q213 PolarHBondContact O-N 2.94Å
214V49.8Very low48.4Very low131 Ų131139 Ų13979%0.79479%0.793SS**PPolyproline II helixtrans-90137.1165.1-74.60000110F212F212-V214 PolarHBondContact O-N 3.38Å
215S49.8Very low49.1Very low112 Ų112137.7 Ų137.778%0.78379%0.79SS**PPolyproline II helixtrans-62.9147.3177.1-56.90000111.5
216P59.6Low48.9Very low124 Ų124140.2 Ų140.281%0.80580%0.798SS**PPolyproline II helixtrans-57.4143170-23.333.9000112
217M43.9Very low49.4Very low175 Ų175141.5 Ų141.586%0.86279%0.794SS**PPolyproline II helixtrans-61.8146.4167.1-72.8-70.9-170.100110.3S219M217-S219 PolarHBondContact O-N 2.71Å
218P45.6Very low49.7Very low117 Ų117143.6 Ų143.676%0.7680%0.797SS**PPolyproline II helixtrans-64126.7171.327.8-33.4000109.8T220P218-T220 PolarHBondContact O-N 3.45Å
219S52Low50Low113 Ų113144.1 Ų144.179%0.7980%0.795SS**PPolyproline II helixtrans-74123177-172.60000110.1M217 S221M217-S219 PolarHBondContact O-N 2.71Å; S219-S221 PolarHBondContact O-N 3.1Å; S219-S221 VanDerWaalsContact O-N 3.1Å
220T53.2Low50.4Low133 Ų133143.5 Ų143.582%0.81679%0.788SS**  trans-78.786.6174.350.60000109.8P218 E222P218-T220 PolarHBondContact O-N 3.45Å; T220-E222 PolarHBondContact O-N 3.42Å
221S48.9Very low50.6Low106 Ų106137.7 Ų137.774%0.74179%0.787SS**  trans-75.6114.4171.1570000110.4S219S219-S221 PolarHBondContact O-N 3.1Å; S219-S221 VanDerWaalsContact O-N 3.1Å
222E50.4Low51Low194 Ų194136.7 Ų136.791%0.90778%0.775SS**  trans-66.1130.5174.8-60.5169.612400110.5T220T220-E222 PolarHBondContact O-N 3.42Å
223A44.2Very low51.3Low97 Ų97135.6 Ų135.680%0.80278%0.776SS**  trans-145.4105.2172.700000109
224T48.3Very low51.4Low135 Ų135129.5 Ų129.583%0.82875%0.753SS**  trans-95.5115.5-174.653.50000111.9
225T51.2Low51.9Low125 Ų125128.4 Ų128.477%0.76774%0.739SS**  trans-157.6126.1154.540.80000110.5
226D44.8Very low52.2Low137 Ų137128.2 Ų128.273%0.73373%0.73SS**  trans63.7107.4148.3-61-123.7000120.9
227E58.4Low52.4Low159 Ų159126.9 Ų126.974%0.74372%0.715SS**  trans56116.6135.2-40.4-51.871.900122.4
228D54.4Low53.2Low148 Ų148124.5 Ų124.579%0.79170%0.703SS**  trans43.9115.2144.6-65.4-44.3000121.9
229E55Low54Low177 Ų177124.5 Ų124.583%0.82769%0.691SS**  -166.1153.3106.4-101.5-63178.800113.8G231E229-G231 PolarHBondContact O-N 3.15Å
230E50Low54.2Low133 Ų133124.7 Ų124.762%0.62168%0.683SS**  trans1.186.1177.6-160.6164-146.600120.2K232E230-K232 HydrophobicContact CG-CB 3.77Å; E230-K232 HydrophobicContact CG-CD 3.77Å; E230-K232 PolarHBondContact O-N 3.07Å; E230-K232 VanDerWaalsContact O-N 3.07Å; E230-K232 WeakPolarHBondContact OE1-CD 3.47Å; E230-K232 WeakPolarHBondContact OE1-CE 3.18Å; E230-K232 IonicContact OE1-NZ 2.83Å; E230-K232 PolarHBondContact OE1-NZ 3.16Å
231G53.8Low54.4Low72 Ų72124.2 Ų124.274%0.74267%0.674SS**  trans-73.588.3164.400000113.1E229E229-G231 PolarHBondContact O-N 3.15Å
232K54.4Low54.7Low129 Ų129127 Ų12756%0.56168%0.676SS**  trans-137.98.8-172.3-165.1171.2-179.3-177.60115.5E230E230-K232 HydrophobicContact CG-CB 3.77Å; E230-K232 HydrophobicContact CG-CD 3.77Å; E230-K232 PolarHBondContact O-N 3.07Å; E230-K232 VanDerWaalsContact O-N 3.07Å; E230-K232 WeakPolarHBondContact OE1-CD 3.47Å; E230-K232 WeakPolarHBondContact OE1-CE 3.18Å; E230-K232 IonicContact OE1-NZ 2.83Å; E230-K232 PolarHBondContact OE1-NZ 3.16Å
233L52.3Low54.8Low134 Ų134124.8 Ų124.870%0.70267%0.665SS**SBendtrans-89.9-20.7176.6-152.6136.3000115.6I237L233-I237 HydrophobicContact CD2-CD1 3.67Å; L233-I237 WeakPolarHBondContact O-CG1 3.36Å
234P59.6Low55Low69 Ų69122.8 Ų122.845%0.44865%0.646SS.*Hα-helixtrans-81.9-36.4-177.730.2-30.2000114.2I237 M238P234-I237 PolarHBondContact O-N 3.46Å; P234-M238 PolarHBondContact O-N 3.15Å; P234-M238 VanDerWaalsContact O-N 3.15Å
235E59.7Low54.8Low107 Ų107123.7 Ų123.750%0.564%0.641SS.*Hα-helixtrans-63.4-48.1-177.1-69.669.7-153.700111.9I237 M238 K239E235-I237 PolarHBondContact O-N 3.3Å; E235-M238 PolarHBondContact O-N 3.21Å; E235-K239 WeakPolarHBondContact O-CB 3.37Å; E235-K239 PolarHBondContact O-N 3.35Å
236D56.7Low54.4Low109 Ų109125.6 Ų125.658%0.58363%0.634SS**Hα-helixtrans-65-29.3-177.5-82.3-16.2000112.2L240D236-L240 VanDerWaalsContact O-CB 3.28Å; D236-L240 WeakPolarHBondContact O-CB 3.45Å; D236-L240 PolarHBondContact O-N 3.31Å; D236-L240 VanDerWaalsContact O-N 3.12Å
237I64Low54.3Low95 Ų95125.2 Ų125.249%0.48763%0.628SS.*Hα-helixtrans-70.7-48.1173.4-66.2177.8000110.7L233 P234 E235 K239 L240 L241L233-I237 HydrophobicContact CD2-CD1 3.67Å; L233-I237 WeakPolarHBondContact O-CG1 3.36Å; P234-I237 PolarHBondContact O-N 3.46Å; E235-I237 PolarHBondContact O-N 3.3Å; I237-K239 VanDerWaalsContact C-N 3.33Å; I237-K239 PolarHBondContact O-N 3.4Å; I237-L240 PolarHBondContact O-N 3.12Å; I237-L241 HydrophobicContact CG2-CD1 4.39Å; I237-L241 WeakPolarHBondContact O-CD1 3.44Å; I237-L241 PolarHBondContact O-N 2.61Å; I237-L241 VanDerWaalsContact O-N 3.16Å
238M61Low53.8Low125 Ų125123.3 Ų123.362%0.61663%0.629SS**Hα-helixtrans-64.8-38.7178.9-69.9-160.1-71.600111.9P234 E235 L240 L241 E242P234-M238 PolarHBondContact O-N 3.15Å; P234-M238 VanDerWaalsContact O-N 3.15Å; E235-M238 PolarHBondContact O-N 3.21Å; M238-L240 VanDerWaalsContact C-N 3.32Å; M238-L240 PolarHBondContact O-N 2.64Å; M238-L241 WeakPolarHBondContact O-CB 3.35Å; M238-L241 PolarHBondContact O-N 2.73Å; M238-L241 VanDerWaalsContact O-N 3.15Å; M238-E242 PolarHBondContact O-N 3.09Å
239K60.9Low53.4Low117 Ų117122 Ų12251%0.50963%0.627SS.*Hα-helixtrans-65.8-32.1177.3-165.4173.3-172.8176.20113.1E235 I237 E242 Q243E235-K239 WeakPolarHBondContact O-CB 3.37Å; E235-K239 PolarHBondContact O-N 3.35Å; I237-K239 VanDerWaalsContact C-N 3.33Å; I237-K239 PolarHBondContact O-N 3.4Å; K239-E242 PolarHBondContact O-N 3.07Å; K239-Q243 WeakPolarHBondContact O-CB 3.28Å; K239-Q243 VanDerWaalsContact O-CG 3.31Å; K239-Q243 WeakPolarHBondContact O-CG 3.44Å; K239-Q243 PolarHBondContact O-N 3.35Å
240L57.3Low53.2Low118 Ų118119.6 Ų119.662%0.61862%0.619SS**Hα-helixtrans-75.6-26.7174.4-165.5141.1000112.3D236 I237 M238 S244D236-L240 VanDerWaalsContact O-CB 3.28Å; D236-L240 WeakPolarHBondContact O-CB 3.45Å; D236-L240 PolarHBondContact O-N 3.31Å; D236-L240 VanDerWaalsContact O-N 3.12Å; I237-L240 PolarHBondContact O-N 3.12Å; M238-L240 VanDerWaalsContact C-N 3.32Å; M238-L240 PolarHBondContact O-N 2.64Å; L240-S244 PolarHBondContact O-OG 3.35Å; L240-S244 VanDerWaalsContact O-OG 3.05Å
241L57.5Low53.3Low122 Ų122119 Ų11964%0.63962%0.624SS**Hα-helixtrans-71.7-44.3166.2-91.973.6000111.8I237 M238 Q243 S244I237-L241 HydrophobicContact CG2-CD1 4.39Å; I237-L241 WeakPolarHBondContact O-CD1 3.44Å; I237-L241 PolarHBondContact O-N 2.61Å; I237-L241 VanDerWaalsContact O-N 3.16Å; M238-L241 WeakPolarHBondContact O-CB 3.35Å; M238-L241 PolarHBondContact O-N 2.73Å; M238-L241 VanDerWaalsContact O-N 3.15Å; L241-Q243 VanDerWaalsContact C-N 3.3Å; L241-Q243 PolarHBondContact O-N 3.04Å; L241-S244 VanDerWaalsContact O-CB 3.31Å; L241-S244 WeakPolarHBondContact O-CB 3.02Å; L241-S244 PolarHBondContact O-N 2.89Å
242E56Low53.2Low166 Ų166121.8 Ų121.878%0.77662%0.623SS**Hα-helixtrans-63.8-31.8177.4-76.6-169.6134.200113.3M238 K239 S244M238-E242 PolarHBondContact O-N 3.09Å; K239-E242 PolarHBondContact O-N 3.07Å; E242-S244 PolarHBondContact O-N 2.83Å
243Q50.8Low53.2Low146 Ų146118.7 Ų118.768%0.68263%0.627SS**THydrogen-bonded Turntrans-73.4-4.8174-74.3178.9-2.400113.9K239 L241 E245K239-Q243 WeakPolarHBondContact O-CB 3.28Å; K239-Q243 VanDerWaalsContact O-CG 3.31Å; K239-Q243 WeakPolarHBondContact O-CG 3.44Å; K239-Q243 PolarHBondContact O-N 3.35Å; L241-Q243 VanDerWaalsContact C-N 3.3Å; L241-Q243 PolarHBondContact O-N 3.04Å; Q243-E245 PolarHBondContact O-N 3.05Å
244S49.4Very low53.3Low55 Ų55117.1 Ų117.139%0.38562%0.615SS.*  trans-91.285.9177.5-60.70000111.2L240 L241 E242 W246L240-S244 PolarHBondContact O-OG 3.35Å; L240-S244 VanDerWaalsContact O-OG 3.05Å; L241-S244 VanDerWaalsContact O-CB 3.31Å; L241-S244 WeakPolarHBondContact O-CB 3.02Å; L241-S244 PolarHBondContact O-N 2.89Å; E242-S244 PolarHBondContact O-N 2.83Å; S244-W246 VanDerWaalsContact C-N 3.31Å; S244-W246 VanDerWaalsContact O-CD1 3.25Å; S244-W246 PolarHBondContact O-N 3.3Å
245E43.8Very low52.9Low155 Ų155117.2 Ų117.272%0.72463%0.629SS**  trans-66.181.5173.7-83.1-156.78800112.7Q243 Q247Q243-E245 PolarHBondContact O-N 3.05Å; E245-Q247 HydrophobicContact CB-CG 4.34Å; E245-Q247 PolarHBondContact O-N 3.05Å; E245-Q247 PolarHBondContact OE1-NE2 3.38Å
246W43.1Very low52.7Low164 Ų164121.1 Ų121.162%0.62164%0.64SS**  trans-75.568.6171.2-7295000111.6S244 P248 L257S244-W246 VanDerWaalsContact C-N 3.31Å; S244-W246 VanDerWaalsContact O-CD1 3.25Å; S244-W246 PolarHBondContact O-N 3.3Å; W246-P248 WeakPolarHBondContact O-CD 3.38Å; W246-L257 HydrophobicContact CE3-CD2 4.39Å; W246-L257 HydrophobicContact CZ3-CD2 4.14Å
247Q42.9Very low52.1Low129 Ų129123.4 Ų123.460%0.60365%0.652SS**  trans-69.3118.4178.9-68.3-66.3-8.700111.6E245 T249E245-Q247 HydrophobicContact CB-CG 4.34Å; E245-Q247 PolarHBondContact O-N 3.05Å; E245-Q247 PolarHBondContact OE1-NE2 3.38Å; Q247-T249 PolarHBondContact O-N 3.02Å
248P47.5Very low51.4Low120 Ų120125.8 Ų125.878%0.77966%0.664SS**  trans-79.193.1-176.531.4-34.2000111.3W246 N250W246-P248 WeakPolarHBondContact O-CD 3.38Å; P248-N250 PolarHBondContact O-N 2.9Å
249T45.6Very low50.6Low121 Ų121125.8 Ų125.874%0.74267%0.667SS**  trans-78119.8175.553.40000111.2Q247Q247-T249 PolarHBondContact O-N 3.02Å
250N51.3Low50.1Low125 Ų125127.9 Ų127.967%0.66868%0.678SS**  trans-105.7113.3175.5-176.3-8.5000110P248 G253P248-N250 PolarHBondContact O-N 2.9Å; N250-G253 PolarHBondContact OD1-N 3.47Å; N250-G253 VanDerWaalsContact OD1-N 3.07Å
251V52Low49.7Very low120 Ų120127.4 Ų127.473%0.72768%0.683SS**SBendtrans-122.2120.7163.6178.30000107.9G253V251-G253 PolarHBondContact O-N 3.42Å; V251-G253 VanDerWaalsContact O-N 3.09Å
252D50.4Low48.9Very low132 Ų132125.4 Ų125.471%0.70669%0.691SS**THydrogen-bonded Turntrans57.821.8173.8-148.4-124.6000115.9K254D252-K254 WeakPolarHBondContact O-CD 3.48Å; D252-K254 WeakPolarHBondContact O-CE 3.2Å; D252-K254 PolarHBondContact O-NZ 2.86Å; D252-K254 IonicContact OD1-NZ 3.19Å; D252-K254 PolarHBondContact OD1-NZ 3.46Å
253G56.1Low48.3Very low64 Ų64124.2 Ų124.266%0.6670%0.695SS**THydrogen-bonded Turntrans80.719.116600000117N250 V251N250-G253 PolarHBondContact OD1-N 3.47Å; N250-G253 VanDerWaalsContact OD1-N 3.07Å; V251-G253 PolarHBondContact O-N 3.42Å; V251-G253 VanDerWaalsContact O-N 3.09Å
254K54.6Low47.7Very low100 Ų100125.4 Ų125.444%0.43570%0.7SS.*  trans-129.3121.8168.533.6-90.4171.4-167.60110.1D252 Y256D252-K254 WeakPolarHBondContact O-CD 3.48Å; D252-K254 WeakPolarHBondContact O-CE 3.2Å; D252-K254 PolarHBondContact O-NZ 2.86Å; D252-K254 IonicContact OD1-NZ 3.19Å; D252-K254 PolarHBondContact OD1-NZ 3.46Å; K254-Y256 HydrophobicContact CB-CE2 4.28Å; K254-Y256 HydrophobicContact CG-CE2 4.02Å; K254-Y256 WeakPolarHBondContact O-CD2 3.31Å; K254-Y256 WeakPolarHBondContact O-CE2 3.31Å
255G51.3Low47.3Very low72 Ų72128.1 Ų128.174%0.74272%0.717SS**  trans-86.1143.1-179.400000112.4
256Y54.5Low46.8Very low188 Ų188127.3 Ų127.374%0.73772%0.723SS**  trans-133.4143.6176.5-55.7-82.5000109.2K254K254-Y256 HydrophobicContact CB-CE2 4.28Å; K254-Y256 HydrophobicContact CG-CE2 4.02Å; K254-Y256 WeakPolarHBondContact O-CD2 3.31Å; K254-Y256 WeakPolarHBondContact O-CE2 3.31Å
257L44.3Very low46.4Very low158 Ų158124.9 Ų124.983%0.82773%0.731SS**  trans-97.1116.9172-61.5178.8000109.1W246W246-L257 HydrophobicContact CE3-CD2 4.39Å; W246-L257 HydrophobicContact CZ3-CD2 4.14Å
258L49.6Very low46.3Very low144 Ų144125.4 Ų125.475%0.75474%0.743SS**  trans-122.4141.1173.6-166.675.6000108.8E260L258-E260 HydrophobicContact CD2-CG 3.86Å; L258-E260 HydrophobicContact CG-CG 4.21Å
259N43.2Very low45.7Very low125 Ų125129.8 Ų129.867%0.66875%0.745SS**  trans-12598.8177.1176.5105000109
260E51.5Low45Very low161 Ų161127.8 Ų127.875%0.75275%0.748SS**  trans-112.8107.6176.2-80-89.610000109.2L258 G262L258-E260 HydrophobicContact CD2-CG 3.86Å; L258-E260 HydrophobicContact CG-CG 4.21Å; E260-G262 PolarHBondContact O-N 2.75Å
261P48.8Very low44.3Very low109 Ų109126.3 Ų126.371%0.70874%0.74SS**  trans-74.8113.7168.630.1-30.6000109.2
262G40.7Very low43.3Very low79 Ų79129.2 Ų129.281%0.81474%0.743SS**  trans-68.4149-163.100000116.6E260E260-G262 PolarHBondContact O-N 2.75Å
263V42.5Very low42.3Very low142 Ų142128 Ų12886%0.86175%0.745SS**  trans-121.7128161.8178.60000107.7
264Q39Very low41.2Very low170 Ų170131 Ų13179%0.79476%0.755SS**  trans-69.8142.2-174.6-71.2-75.113.600112.5T266Q264-T266 PolarHBondContact O-N 3.3Å
265P41.6Very low40.2Very low113 Ų113135.4 Ų135.473%0.73477%0.774SS**  trans-85.5106.3176.532.9-31.9000111.9S267P265-S267 PolarHBondContact O-N 3.44Å
266T31.7Very low39.4Very low138 Ų138140.3 Ų140.385%0.84778%0.778SS**  trans-82.6101.5171.4-41.20000110.3Q264Q264-T266 PolarHBondContact O-N 3.3Å
267S36.1Very low38.4Very low112 Ų112139 Ų13978%0.78378%0.778SS**  trans-81.8128.2176.750.80000112.2P265P265-S267 PolarHBondContact O-N 3.44Å
268V39.6Very low38.6Very low141 Ų141136.3 Ų136.386%0.85577%0.77SS**  trans-133.7119.4156.9-177.60000107.4
269Y36.2Very low38.3Very low212 Ų212138.4 Ų138.483%0.83178%0.776SS**  trans-86.8135.8178.9-137.7-90.5000109.4
270G30.7Very low38.2Very low78 Ų78140.4 Ų140.480%0.80479%0.785SS**  trans-172123.5178.600000109.1
271D36.7Very low37.3Very low95 Ų95139.3 Ų139.351%0.50878%0.784SS.*  trans-131162.3-143.8-151-14000114.2
272F29.4Very low37.3Very low180 Ų180138.2 Ų138.279%0.78978%0.78SS**  trans58.1120.3170.5-50.2-66.8000119.2
273S30.3Very low37.8Very low107 Ų107140.2 Ų140.275%0.74878%0.778SS**  168.8125.395.3-173.20000111.4
274C33.2Very low37.4Very low128 Ų128137.6 Ų137.687%0.86578%0.78SS**  trans-117.2132.4172.8-69.50000110
275K32.5Very low37.2Very low192 Ų192133.6 Ų133.684%0.83578%0.784SS**  trans-145.394.2170-76.2-161.5171.7-167.50112
276E35.2Very low37.4Very low175 Ų175137.7 Ų137.782%0.81879%0.79SS**  37.2109.6115.3-160.1173.5-174.400118.8
277E34.6Very low37.9Very low159 Ų159140.9 Ų140.974%0.74379%0.793SS**  trans63.7166.3142.6-61.2-55.8124.800120.9
278P46.7Very low38.2Very low102 Ų102139.6 Ų139.666%0.66279%0.788SS**  cis-126.9178.9-11.526-3.8000115
279E45.1Very low38.1Very low188 Ų188140.1 Ų140.188%0.87979%0.785SS**  trans-68148.6162-60.9-175.3127.500113
280I39.8Very low38.5Very low168 Ų168136.8 Ų136.886%0.86278%0.782SS**  trans-139.3145.7165.3-59.5-176.6000110
281D33.8Very low40Very low137 Ų137138 Ų13873%0.73378%0.776SS**  trans-98.7166.6-163.2173.351.7000116
282S47.8Very low40.3Very low87 Ų87145.2 Ų145.261%0.60880%0.798SS**  trans73.9164.3153.4-89.70000120.3
283P52.4Low40.7Very low121 Ų121139.8 Ų139.879%0.78679%0.792SS**  cis-137.2174.5-31.935.6-17.9000115.4
284G32.3Very low41.3Very low87 Ų87143.7 Ų143.790%0.89780%0.796SS**  trans-68.2164-16700000120.8
285G35.1Very low41.8Very low85 Ų85144 Ų14488%0.87679%0.788SS**  trans-136.5124.6175.900000112.6
286K45.6Very low42.3Very low199 Ų199141 Ų14187%0.86578%0.782SS**  trans-112139.7-164.264.2-160.1170.5-172.10114.3
287K42.3Very low42.5Very low206 Ų206141.5 Ų141.590%0.89678%0.784SS**  trans164.5122.9156.2-91.8154.4-175.3-176.10107.9
288A41.9Very low42.6Very low84 Ų84138 Ų13869%0.69479%0.79SS**  cis100.1112.813.100000116.1
289L38.5Very low42.4Very low152 Ų152141.3 Ų141.380%0.79680%0.797SS**  trans64.1148.1165.9-75.783.3000117.9
290D44.4Very low43.1Very low142 Ų142136.6 Ų136.676%0.75978%0.783SS**  cis-160.3171.7-18.4-116.93.3000110.5
291P62.2Low43.1Very low103 Ų103137.9 Ų137.967%0.66978%0.777SS**  trans-100.4150.1-173.137.4-33.6000115.4
292Y42.6Very low43.8Very low247 Ų247140.2 Ų140.297%0.96978%0.775SS**  trans-174.2153.5147.9-118.8-80.3000113.1
293G38.9Very low43.7Very low66 Ų66143.4 Ų143.468%0.6879%0.785SS**  trans86.6124.7173.500000114.6
294F42.1Very low43.2Very low189 Ų189141.2 Ų141.283%0.82979%0.785SS**  cis82140.57.4-161.7-112.3000118.7
295L44.2Very low43.8Very low134 Ų134145.8 Ų145.870%0.70278%0.783SS**  trans73.7154.9-171.8-58.5173.5000117.6
296D42.1Very low44.4Very low131 Ų131147.6 Ų147.670%0.70178%0.782SS**  cis-169.7171-45.2-151.8-6.6000110.3
297E39.2Very low44.7Very low184 Ų184145.8 Ų145.886%0.8678%0.781SS**  trans63.1153.3165.5-57.1-148.3130.700119.7
298G37.2Very low44.9Very low85 Ų85139.9 Ų139.988%0.87678%0.779SS**  trans168.44.1-179.900000121.2
299E43.5Very low45.3Very low173 Ų173141.1 Ų141.181%0.80879%0.789SS**  trans-122.2159.3169.6-116.7-98.4120.400107
300P58.6Low45.6Very low88 Ų88137.2 Ų137.257%0.57179%0.786SS**  cis-146.1-163.927.233.7-8000116.7
301R40.8Very low46.3Very low196 Ų196136.8 Ų136.874%0.7479%0.791SS**  trans94.1151.4156.6-63.4178.6-175-171.15.9117.9
302R49Very low45.6Very low185 Ų185135.8 Ų135.870%0.69880%0.799SS**  cis-168.3-173-30.7-142-161.6-55.9-138.27.6107.9
303D45.3Very low45.9Very low154 Ų154127.9 Ų127.982%0.82479%0.793SS**  trans72.9146.7167.9-42.9-32.8000115.3
304G42.2Very low46.5Very low75 Ų75136.8 Ų136.877%0.77381%0.806SS**  cis-160.8177.91.600000113.9
305E44.3Very low47.1Very low184 Ų184132.4 Ų132.486%0.8680%0.804SS**  trans-54155.5-168.8-60.7157.686.500118.3
306S48.3Very low47.6Very low122 Ų122132.4 Ų132.485%0.85381%0.809SS**  trans-153141.5130.4-166.80000111.9
307L51.9Low48.4Very low162 Ų162135.4 Ų135.485%0.84882%0.816SS**  trans-107.9143.4-179.8-73164.5000110.5
308G46.8Very low49Very low82 Ų82135.3 Ų135.385%0.84582%0.815SS**  trans-153.881.2-179.900000113.1
309A50.1Low50.1Low109 Ų109139.8 Ų139.890%0.90182%0.818SS**  trans-84.3135.817700000112
310G44Very low51Low71 Ų71134.5 Ų134.573%0.73281%0.81SS**  trans-115.4135.6169.300000110.9
311P58.8Low50.9Low133 Ų133145.2 Ų145.286%0.86484%0.841SS**  trans-82.6154.9-17033.1-36.2000113.7
312G48.7Very low51.4Low82 Ų82142.7 Ų142.785%0.84585%0.846SS**  trans-83.4157.6172.900000113.7
313G48.9Very low51.5Low81 Ų81140.4 Ų140.484%0.83585%0.854SS**  trans-141.7122174.800000112.2
314R51.3Low51.8Low253 Ų253139.7 Ų139.796%0.95586%0.856SS**  trans-79.2140.9170.2-83.3175.5159.7-174.9-5.1110.6
315A55Low52.4Low96 Ų96143.5 Ų143.579%0.79386%0.86SS**  trans-150.4135.5149.300000110.8
316V54.6Low52.9Low134 Ų134140.9 Ų140.981%0.81286%0.86SS**  trans-122.4115.4174175.30000108.4
317K58Low53.2Low194 Ų194142.2 Ų142.284%0.84386%0.861SS**  trans-149.9113.4166.5-57.2-175.7-175.5-179.50104.4
318H51.1Low53.3Low183 Ų183140.8 Ų140.885%0.84786%0.862SS**  cis62.883.544.2-132.378.8000111.5
319L60.8Low53.8Low179 Ų179145.3 Ų145.394%0.93786%0.863SS**  trans-146.2136155.5-150.977000106.7
320G61.6Low54.1Low61 Ų61148.3 Ų148.363%0.62986%0.86SS**  trans-145.3152.1168.200000108.5
321Y56.5Low55Low313 Ų313155.4 Ų155.4100%1.22787%0.872SS**  trans-160.10153.1-102-67.6000107.9

Retrieved 321 of 321 residues in 130.4 ms (Link to these results)

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