A0A5K4F9B0_SCHMA Loading...

Bromo domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F9B0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 621 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M61.7Low86.6Confident94 Ų9433.1 Ų33.146%0.46318%0.178SC..  01490-79.7-71.6-152.400108.8L52 Q53 Y56M1-L52 HydrophobicContact CE-CB 4.37Å; M1-L52 HydrophobicContact CE-CD2 3.81Å; M1-L52 HydrophobicContact CE-CG 3.99Å; M1-Q53 VanDerWaalsContact CG-OE1 3.28Å; M1-Y56 HydrophobicContact CB-CD1 4.23Å; M1-Y56 HydrophobicContact CB-CG 4.45Å
2N79.4Confident87.2Confident153 Ų15330.3 Ų30.382%0.81816%0.163SC*.  trans-124.233-172.565-31.8000113.2
3W89.5Confident87.4Confident19 Ų1929.8 Ų29.87%0.07216%0.157CC..  trans-55.1141.7172.7-80.538000111.4A7 N8 L11 L29 Q43 D44 L45 S49 Q53W3-A7 HydrophobicContact CE3-CB 3.9Å; W3-A7 HydrophobicContact CZ3-CB 4.44Å; W3-N8 VanDerWaalsContact CB-OD1 3.29Å; W3-N8 WeakPolarHBondContact CB-OD1 3.33Å; W3-N8 PolarHBondContact O-ND2 3.3Å; W3-L11 HydrophobicContact CE3-CD2 4.25Å; W3-L11 HydrophobicContact CH2-CD1 4.5Å; W3-L11 HydrophobicContact CH2-CD2 4.21Å; W3-L11 HydrophobicContact CZ3-CB 3.97Å; W3-L11 HydrophobicContact CZ3-CD1 4.41Å; W3-L11 HydrophobicContact CZ3-CD2 3.77Å; W3-L11 HydrophobicContact CZ3-CG 4.26Å; W3-L29 HydrophobicContact CH2-CD2 3.73Å; W3-L29 HydrophobicContact CZ3-CD2 3.64Å; W3-Q43 VanDerWaalsContact CA-OE1 3.27Å; W3-Q43 VanDerWaalsContact CD2-OE1 3.29Å; W3-Q43 HydrophobicContact CG-CG 4.37Å; W3-D44 WeakPolarHBondContact CZ2-O 3.08Å; W3-L45 HydrophobicContact CH2-CD2 4.21Å; W3-S49 WeakPolarHBondContact CZ2-OG 3.41Å; W3-Q53 HydrophobicContact CB-CG 4.38Å; W3-Q53 HydrophobicContact CD2-CB 4.17Å; W3-Q53 HydrophobicContact CD2-CG 3.61Å; W3-Q53 HydrophobicContact CE3-CG 3.83Å; W3-Q53 HydrophobicContact CG-CG 3.87Å; W3-Q53 HydrophobicContact CH2-CB 4.49Å; W3-Q53 HydrophobicContact CZ2-CB 4.11Å; W3-Q53 HydrophobicContact CZ2-CG 4.41Å; W3-Q53 HydrophobicContact CZ3-CG 4.34Å
4A89.1Confident87.8Confident33 Ų3327.9 Ų27.927%0.27315%0.148SC..  trans-68.9154.6-179.800000112G6 A7 N8 E40A4-G6 VanDerWaalsContact C-N 3.28Å; A4-G6 PolarHBondContact O-N 3.22Å; A4-A7 PolarHBondContact O-N 3.2Å; A4-N8 PolarHBondContact O-N 3.12Å; A4-N8 PolarHBondContact O-ND2 2.89Å; A4-E40 HydrophobicContact CB-CG 4.41Å; A4-E40 WeakPolarHBondContact CB-OE2 3.48Å
5V88.7Confident88.3Confident25 Ų2526.3 Ų26.315%0.15214%0.14CC..Hα-helixtrans-56.4-39.9-177.7165.90000112.2N8 C9 Y82 L85 R86V5-N8 PolarHBondContact O-N 3.49Å; V5-C9 WeakPolarHBondContact O-CB 3.49Å; V5-C9 PolarHBondContact O-N 3.19Å; V5-Y82 HydrophobicContact CG1-CD1 4.42Å; V5-Y82 HydrophobicContact CG2-CD1 4.49Å; V5-L85 HydrophobicContact CG1-CB 3.58Å; V5-L85 HydrophobicContact CG2-CB 4.3Å; V5-L85 HydrophobicContact CG2-CD1 4.38Å; V5-R86 HydrophobicContact CG1-CB 3.97Å
6G86.6Confident88.5Confident0 Ų030.3 Ų30.30%016%0.16CC..Hα-helixtrans-57.6-56.8173.800000111.9A4 N8 C9 Y10A4-G6 VanDerWaalsContact C-N 3.28Å; A4-G6 PolarHBondContact O-N 3.22Å; G6-N8 VanDerWaalsContact C-N 3.34Å; G6-N8 PolarHBondContact O-N 3.21Å; G6-C9 WeakPolarHBondContact O-CB 3.27Å; G6-C9 PolarHBondContact O-N 3.23Å; G6-C9 VanDerWaalsContact O-N 3.14Å; G6-Y10 WeakPolarHBondContact O-CD2 3.43Å; G6-Y10 PolarHBondContact O-N 3.49Å
7A90.5Very high88.6Confident0 Ų034.5 Ų34.50%019%0.188CC..Hα-helixtrans-59.4-38.2178.400000114W3 A4 Y10 L11 L37 E40W3-A7 HydrophobicContact CE3-CB 3.9Å; W3-A7 HydrophobicContact CZ3-CB 4.44Å; A4-A7 PolarHBondContact O-N 3.2Å; A7-Y10 PolarHBondContact O-N 2.83Å; A7-L11 WeakPolarHBondContact O-CB 3.48Å; A7-L11 PolarHBondContact O-N 3.12Å; A7-L37 HydrophobicContact CB-CD1 3.85Å; A7-E40 PolarHBondContact N-OE2 2.75Å
8N93.4Very high88.9Confident4 Ų437.3 Ų37.32%0.02120%0.199CC..Hα-helixtrans-62.2-43.2174.1-68.9-43.9000111.9W3 A4 V5 G6 L11 L12 Q53 I57 Y82W3-N8 VanDerWaalsContact CB-OD1 3.29Å; W3-N8 WeakPolarHBondContact CB-OD1 3.33Å; W3-N8 PolarHBondContact O-ND2 3.3Å; A4-N8 PolarHBondContact O-N 3.12Å; A4-N8 PolarHBondContact O-ND2 2.89Å; V5-N8 PolarHBondContact O-N 3.49Å; G6-N8 VanDerWaalsContact C-N 3.34Å; G6-N8 PolarHBondContact O-N 3.21Å; N8-L11 PolarHBondContact O-N 3.03Å; N8-L12 WeakPolarHBondContact O-CD1 3.46Å; N8-L12 VanDerWaalsContact O-CG 3.28Å; N8-L12 WeakPolarHBondContact O-CG 3.34Å; N8-L12 PolarHBondContact O-N 3.36Å; N8-Q53 PolarHBondContact OD1-NE2 3.46Å; N8-I57 HydrophobicContact CB-CD1 4.27Å; N8-Y82 HydrophobicContact CB-CD1 3.52Å; N8-Y82 HydrophobicContact CB-CD2 4.2Å; N8-Y82 HydrophobicContact CB-CE1 3.62Å; N8-Y82 HydrophobicContact CB-CE2 4.27Å; N8-Y82 HydrophobicContact CB-CG 3.83Å; N8-Y82 WeakPolarHBondContact ND2-CE1 3.34Å
9C89.4Confident89.1Confident6 Ų637.1 Ų37.14%0.04121%0.207CC..Hα-helixtrans-61-49.7175.4-176.10000111.1V5 G6 L11 L12 R13 T83V5-C9 WeakPolarHBondContact O-CB 3.49Å; V5-C9 PolarHBondContact O-N 3.19Å; G6-C9 WeakPolarHBondContact O-CB 3.27Å; G6-C9 PolarHBondContact O-N 3.23Å; G6-C9 VanDerWaalsContact O-N 3.14Å; C9-L11 PolarHBondContact O-N 2.75Å; C9-L12 PolarHBondContact O-N 2.98Å; C9-R13 WeakPolarHBondContact O-CG 3.39Å; C9-R13 PolarHBondContact O-N 3.02Å; C9-R13 PolarHBondContact SG-NE 3.08Å; C9-T83 PolarHBondContact SG-OG1 3.48Å
10Y90.3Very high89.3Confident30 Ų3040.5 Ų40.512%0.11822%0.219CC..Hα-helixtrans-66.5-32.3178.2-72.8-72.3000113.7G6 A7 R13 A14 F36 L37G6-Y10 WeakPolarHBondContact O-CD2 3.43Å; G6-Y10 PolarHBondContact O-N 3.49Å; A7-Y10 PolarHBondContact O-N 2.83Å; Y10-R13 PolarHBondContact O-N 2.81Å; Y10-A14 WeakPolarHBondContact O-CB 3.3Å; Y10-A14 PolarHBondContact O-N 2.85Å; Y10-F36 AromaticContact CE1-CD2 3.83Å; Y10-F36 HydrophobicContact CE1-CD2 3.83Å; Y10-F36 HydrophobicContact CE1-CE2 4.37Å; Y10-F36 HydrophobicContact CE1-CG 4.39Å; Y10-F36 HydrophobicContact CE2-CB 3.9Å; Y10-F36 AromaticContact CZ-CD2 3.75Å; Y10-F36 AromaticContact CZ-CG 3.85Å; Y10-F36 VanDerWaalsContact OH-CB 3.3Å; Y10-F36 WeakPolarHBondContact OH-CB 3.47Å; Y10-F36 VanDerWaalsContact OH-CG 3.28Å; Y10-F36 WeakPolarHBondContact OH-CG 3.4Å; Y10-L37 HydrophobicContact CD2-CD1 3.99Å; Y10-L37 HydrophobicContact CD2-CD2 3.92Å; Y10-L37 HydrophobicContact CD2-CG 4.06Å; Y10-L37 HydrophobicContact CE2-CD2 3.74Å; Y10-L37 HydrophobicContact CE2-CG 4.16Å
11L93.9Very high89.6Confident0 Ų042 Ų420%023%0.228CC..Hα-helixtrans-63.2-49.6173176.365000111.7W3 A7 N8 C9 R13 A14 V15 V25 L29 C50 Q53 I57W3-L11 HydrophobicContact CE3-CD2 4.25Å; W3-L11 HydrophobicContact CH2-CD1 4.5Å; W3-L11 HydrophobicContact CH2-CD2 4.21Å; W3-L11 HydrophobicContact CZ3-CB 3.97Å; W3-L11 HydrophobicContact CZ3-CD1 4.41Å; W3-L11 HydrophobicContact CZ3-CD2 3.77Å; W3-L11 HydrophobicContact CZ3-CG 4.26Å; A7-L11 WeakPolarHBondContact O-CB 3.48Å; A7-L11 PolarHBondContact O-N 3.12Å; N8-L11 PolarHBondContact O-N 3.03Å; C9-L11 PolarHBondContact O-N 2.75Å; L11-R13 VanDerWaalsContact C-N 3.26Å; L11-R13 PolarHBondContact O-N 3.23Å; L11-A14 PolarHBondContact O-N 2.72Å; L11-V15 HydrophobicContact CD1-CG2 4.33Å; L11-V15 WeakPolarHBondContact O-CG2 3.35Å; L11-V15 PolarHBondContact O-N 2.79Å; L11-V25 HydrophobicContact CD1-CG1 3.74Å; L11-L29 HydrophobicContact CB-CD2 4.34Å; L11-L29 HydrophobicContact CD1-CD2 4.21Å; L11-C50 HydrophobicContact CD1-CB 3.85Å; L11-Q53 HydrophobicContact CD2-CB 3.82Å; L11-Q53 HydrophobicContact CD2-CG 3.54Å; L11-I57 HydrophobicContact CD2-CD1 4.22Å
12L94Very high91.3Very high0 Ų039.9 Ų39.90%021%0.214CC..Hα-helixtrans-63.2-35.9-179.9-67.9163.9000111.3N8 C9 V15 L16 Y54 I57 L75 L79 Y82N8-L12 WeakPolarHBondContact O-CD1 3.46Å; N8-L12 VanDerWaalsContact O-CG 3.28Å; N8-L12 WeakPolarHBondContact O-CG 3.34Å; N8-L12 PolarHBondContact O-N 3.36Å; C9-L12 PolarHBondContact O-N 2.98Å; L12-V15 PolarHBondContact O-N 3.39Å; L12-L16 WeakPolarHBondContact O-CB 3.44Å; L12-L16 PolarHBondContact O-N 2.85Å; L12-Y54 HydrophobicContact CD2-CD2 4.19Å; L12-Y54 HydrophobicContact CD2-CE2 4.33Å; L12-I57 HydrophobicContact CD1-CD1 4.37Å; L12-I57 HydrophobicContact CD1-CG2 4.2Å; L12-I57 HydrophobicContact CD2-CD1 4.32Å; L12-I57 HydrophobicContact CD2-CG2 3.95Å; L12-I57 HydrophobicContact CG-CD1 4.28Å; L12-L75 HydrophobicContact CB-CD1 4.07Å; L12-L75 HydrophobicContact CD2-CD1 3.58Å; L12-L75 HydrophobicContact CG-CD1 4.44Å; L12-L79 HydrophobicContact CB-CB 4.28Å; L12-L79 HydrophobicContact CB-CD1 3.88Å; L12-Y82 HydrophobicContact CD1-CD2 3.6Å; L12-Y82 HydrophobicContact CD1-CE2 4.44Å; L12-Y82 HydrophobicContact CD1-CG 4.22Å
13R89.7Confident92Very high23 Ų2336.6 Ų36.69%0.08720%0.196CC..Hα-helixtrans-64.5-49.2172.6-69.7172.9173.1-67.3-4.3112.3C9 Y10 L11 V15 L16 T17 L79 T83 L224C9-R13 WeakPolarHBondContact O-CG 3.39Å; C9-R13 PolarHBondContact O-N 3.02Å; C9-R13 PolarHBondContact SG-NE 3.08Å; Y10-R13 PolarHBondContact O-N 2.81Å; L11-R13 VanDerWaalsContact C-N 3.26Å; L11-R13 PolarHBondContact O-N 3.23Å; R13-V15 VanDerWaalsContact C-N 3.26Å; R13-V15 PolarHBondContact O-N 3.12Å; R13-L16 WeakPolarHBondContact O-CB 3.41Å; R13-L16 PolarHBondContact O-N 2.84Å; R13-L16 VanDerWaalsContact O-N 3.1Å; R13-T17 PolarHBondContact O-N 3.46Å; R13-T17 PolarHBondContact O-OG1 2.96Å; R13-L79 HydrophobicContact CG-CD1 3.52Å; R13-T83 PolarHBondContact NH2-OG1 3.31Å; R13-L224 PolarHBondContact NH1-O 3.11Å
14A92.6Very high92.2Very high3 Ų339.8 Ų39.83%0.02521%0.214CC..Hα-helixtrans-60.7-36.1177.300000112Y10 L11 H18 V25Y10-A14 WeakPolarHBondContact O-CB 3.3Å; Y10-A14 PolarHBondContact O-N 2.85Å; L11-A14 PolarHBondContact O-N 2.72Å; A14-H18 WeakPolarHBondContact O-CB 3.49Å; A14-H18 PolarHBondContact O-CD2 2.83Å; A14-H18 VanDerWaalsContact O-CD2 3.26Å; A14-H18 PolarHBondContact O-N 3.14Å; A14-V25 HydrophobicContact CB-CB 4.44Å; A14-V25 HydrophobicContact CB-CG1 3.99Å; A14-V25 HydrophobicContact CB-CG2 4.45Å
15V95.3Very high92.4Very high4 Ų438.2 Ų38.22%0.02420%0.201CC..Hα-helixtrans-74.4-29.6174.6178.20000112.7L11 L12 R13 G19 W22 V25 Y54 L75L11-V15 HydrophobicContact CD1-CG2 4.33Å; L11-V15 WeakPolarHBondContact O-CG2 3.35Å; L11-V15 PolarHBondContact O-N 2.79Å; L12-V15 PolarHBondContact O-N 3.39Å; R13-V15 VanDerWaalsContact C-N 3.26Å; R13-V15 PolarHBondContact O-N 3.12Å; V15-G19 WeakPolarHBondContact CA-O 3.33Å; V15-G19 CarbonylContact O-C 3.58Å; V15-G19 WeakPolarHBondContact O-CA 3.47Å; V15-G19 PolarHBondContact O-N 3.27Å; V15-W22 HydrophobicContact CG2-CH2 4.2Å; V15-W22 HydrophobicContact CG2-CZ3 3.69Å; V15-V25 HydrophobicContact CG2-CG1 3.95Å; V15-V25 HydrophobicContact CG2-CG2 3.93Å; V15-Y54 HydrophobicContact CB-CD2 4.11Å; V15-Y54 HydrophobicContact CB-CE2 4.05Å; V15-Y54 HydrophobicContact CG1-CD2 3.85Å; V15-Y54 HydrophobicContact CG1-CE2 3.42Å; V15-Y54 VanDerWaalsContact CG1-CE2 3.42Å; V15-Y54 HydrophobicContact CG2-CD2 3.92Å; V15-Y54 HydrophobicContact CG2-CE2 4.34Å; V15-L75 HydrophobicContact CG1-CD2 4.37Å
16L91.5Very high92.6Very high90 Ų9037.2 Ų37.247%0.47120%0.196SC..Hα-helixtrans-67.4-41.5170.7-174.966.7000111.5L12 R13 L75 L79L12-L16 WeakPolarHBondContact O-CB 3.44Å; L12-L16 PolarHBondContact O-N 2.85Å; R13-L16 WeakPolarHBondContact O-CB 3.41Å; R13-L16 PolarHBondContact O-N 2.84Å; R13-L16 VanDerWaalsContact O-N 3.1Å; L16-L75 HydrophobicContact CD1-CD2 4.31Å; L16-L79 HydrophobicContact CD2-CD2 3.66Å
17T90.9Very high92.9Very high103 Ų10341.8 Ų41.863%0.63222%0.217SC*.Hα-helixtrans-76.1-45.5-179.1-53.60000113.5R13R13-T17 PolarHBondContact O-N 3.46Å; R13-T17 PolarHBondContact O-OG1 2.96Å
18H93.1Very high92.8Very high85 Ų8543.2 Ų43.239%0.39423%0.227SC..Hα-helixtrans-105.64.9-172.3-54.4-66.5000113.5A14 N21 L24 V25 S28A14-H18 WeakPolarHBondContact O-CB 3.49Å; A14-H18 PolarHBondContact O-CD2 2.83Å; A14-H18 VanDerWaalsContact O-CD2 3.26Å; A14-H18 PolarHBondContact O-N 3.14Å; H18-N21 WeakPolarHBondContact O-CB 3.35Å; H18-N21 PolarHBondContact O-N 3.28Å; H18-L24 HydrophobicContact CB-CB 3.94Å; H18-L24 HydrophobicContact CB-CD1 4.44Å; H18-V25 HydrophobicContact CB-CG2 4.15Å; H18-S28 WeakPolarHBondContact NE2-CB 3.42Å; H18-S28 PolarHBondContact NE2-OG 2.73Å
19G93Very high92.5Very high33 Ų3343.1 Ų43.134%0.3423%0.227SC..THydrogen-bonded Turntrans58.5-150.5-169.500000112V15 N21 V25V15-G19 WeakPolarHBondContact CA-O 3.33Å; V15-G19 CarbonylContact O-C 3.58Å; V15-G19 WeakPolarHBondContact O-CA 3.47Å; V15-G19 PolarHBondContact O-N 3.27Å; G19-N21 PolarHBondContact O-N 3.34Å; G19-V25 WeakPolarHBondContact O-CG2 3.39Å
20K94.5Very high92.4Very high104 Ų10446.2 Ų46.245%0.45224%0.24SC..THydrogen-bonded Turntrans-82.925.2176.2-65.6176.3174.6175.90113.4W22 E71K20-W22 VanDerWaalsContact C-N 3.32Å; K20-W22 HydrophobicContact CB-CH2 4.47Å; K20-W22 HydrophobicContact CB-CZ2 3.78Å; K20-W22 HydrophobicContact CD-CZ2 4.26Å; K20-W22 HydrophobicContact CG-CH2 4.18Å; K20-W22 HydrophobicContact CG-CZ2 3.74Å; K20-W22 PolarHBondContact O-N 3.37Å; K20-W22 PolarHBondContact O-NE1 2.68Å; K20-E71 WeakPolarHBondContact CE-OE1 3.35Å; K20-E71 IonicContact NZ-OE1 3.06Å; K20-E71 PolarHBondContact NZ-OE1 3.4Å; K20-E71 IonicContact NZ-OE2 3.91Å; K20-E71 PolarHBondContact NZ-OE2 2.89Å
21N95Very high92.1Very high74 Ų7449 Ų4940%0.39626%0.26SS..  trans-76.585171.7-172.9-26.1000109.4H18 G19 D23 L24 V25H18-N21 WeakPolarHBondContact O-CB 3.35Å; H18-N21 PolarHBondContact O-N 3.28Å; G19-N21 PolarHBondContact O-N 3.34Å; N21-D23 PolarHBondContact O-N 3.42Å; N21-D23 VanDerWaalsContact O-N 3.12Å; N21-D23 PolarHBondContact OD1-N 3.33Å; N21-L24 HydrophobicContact CB-CB 4.28Å; N21-L24 HydrophobicContact CB-CD1 4.31Å; N21-L24 HydrophobicContact CB-CG 4.43Å; N21-L24 WeakPolarHBondContact ND2-CD1 3.46Å; N21-L24 PolarHBondContact O-N 3.39Å; N21-L24 VanDerWaalsContact O-N 3.09Å; N21-L24 PolarHBondContact OD1-N 3.45Å; N21-V25 VanDerWaalsContact O-CG2 3.31Å; N21-V25 WeakPolarHBondContact O-CG2 3.45Å; N21-V25 PolarHBondContact O-N 2.85Å
22W96.3Very high91.3Very high49 Ų4950.1 Ų50.119%0.18627%0.268CS..Hα-helixtrans-62.8-21.1-170.4-54.4110.8000114.7V15 K20 V25 S26 K47 C50 S51 Y54V15-W22 HydrophobicContact CG2-CH2 4.2Å; V15-W22 HydrophobicContact CG2-CZ3 3.69Å; K20-W22 VanDerWaalsContact C-N 3.32Å; K20-W22 HydrophobicContact CB-CH2 4.47Å; K20-W22 HydrophobicContact CB-CZ2 3.78Å; K20-W22 HydrophobicContact CD-CZ2 4.26Å; K20-W22 HydrophobicContact CG-CH2 4.18Å; K20-W22 HydrophobicContact CG-CZ2 3.74Å; K20-W22 PolarHBondContact O-N 3.37Å; K20-W22 PolarHBondContact O-NE1 2.68Å; W22-V25 HydrophobicContact CE3-CB 4.49Å; W22-V25 HydrophobicContact CE3-CG1 4.33Å; W22-S26 VanDerWaalsContact O-CB 3.22Å; W22-S26 WeakPolarHBondContact O-CB 3.27Å; W22-S26 PolarHBondContact O-N 3.33Å; W22-K47 HydrophobicContact CB-CB 3.74Å; W22-K47 WeakPolarHBondContact O-CB 3.37Å; W22-C50 HydrophobicContact CE3-CB 4.27Å; W22-S51 VanDerWaalsContact CE2-OG 3.26Å; W22-S51 WeakPolarHBondContact CZ2-OG 3.12Å; W22-S51 PolarHBondContact NE1-OG 3.35Å; W22-Y54 AromaticContact CH2-CD1 3.66Å; W22-Y54 HydrophobicContact CH2-CD1 3.66Å; W22-Y54 HydrophobicContact CH2-CD2 4.43Å; W22-Y54 HydrophobicContact CH2-CE1 4.39Å; W22-Y54 AromaticContact CH2-CG 3.67Å; W22-Y54 HydrophobicContact CH2-CG 3.67Å; W22-Y54 HydrophobicContact CZ2-CD1 4.38Å; W22-Y54 HydrophobicContact CZ3-CG 4.24Å
23D94.3Very high90.5Very high83 Ų8351.2 Ų51.244%0.44428%0.275SS..Hα-helixtrans-72.9-47.9172.5-72.1-86.4000111.2N21 S26 E27 K47N21-D23 PolarHBondContact O-N 3.42Å; N21-D23 VanDerWaalsContact O-N 3.12Å; N21-D23 PolarHBondContact OD1-N 3.33Å; D23-S26 WeakPolarHBondContact O-CB 3.43Å; D23-S26 PolarHBondContact O-N 2.81Å; D23-E27 PolarHBondContact O-N 2.65Å; D23-E27 VanDerWaalsContact O-N 3.16Å; D23-K47 VanDerWaalsContact CG-CD 3.49Å; D23-K47 WeakPolarHBondContact OD1-CD 3.35Å; D23-K47 WeakPolarHBondContact OD1-CE 3.41Å; D23-K47 IonicContact OD1-NZ 2.81Å; D23-K47 PolarHBondContact OD1-NZ 3.07Å; D23-K47 VanDerWaalsContact OD2-CD 3.32Å; D23-K47 WeakPolarHBondContact OD2-CD 3.23Å; D23-K47 IonicContact OD2-NZ 3.79Å; D23-K47 PolarHBondContact OD2-NZ 3.42Å
24L94Very high89.6Confident86 Ų8657.9 Ų57.945%0.4530%0.304SS..Hα-helixtrans-65.1-40.4173.1-68.1-178.3000112.3H18 N21 S26 E27 S28H18-L24 HydrophobicContact CB-CB 3.94Å; H18-L24 HydrophobicContact CB-CD1 4.44Å; N21-L24 HydrophobicContact CB-CB 4.28Å; N21-L24 HydrophobicContact CB-CD1 4.31Å; N21-L24 HydrophobicContact CB-CG 4.43Å; N21-L24 WeakPolarHBondContact ND2-CD1 3.46Å; N21-L24 PolarHBondContact O-N 3.39Å; N21-L24 VanDerWaalsContact O-N 3.09Å; N21-L24 PolarHBondContact OD1-N 3.45Å; L24-S26 VanDerWaalsContact C-N 3.31Å; L24-S26 PolarHBondContact O-N 3.01Å; L24-E27 PolarHBondContact O-N 2.72Å; L24-S28 WeakPolarHBondContact O-CB 2.93Å; L24-S28 PolarHBondContact O-N 3.37Å
25V93.4Very high88.5Confident0 Ų061.2 Ų61.20%033%0.325CS..Hα-helixtrans-60.2-41.4175.3171.40000110.9L11 A14 V15 H18 G19 N21 W22 L29 C50L11-V25 HydrophobicContact CD1-CG1 3.74Å; A14-V25 HydrophobicContact CB-CB 4.44Å; A14-V25 HydrophobicContact CB-CG1 3.99Å; A14-V25 HydrophobicContact CB-CG2 4.45Å; V15-V25 HydrophobicContact CG2-CG1 3.95Å; V15-V25 HydrophobicContact CG2-CG2 3.93Å; H18-V25 HydrophobicContact CB-CG2 4.15Å; G19-V25 WeakPolarHBondContact O-CG2 3.39Å; N21-V25 VanDerWaalsContact O-CG2 3.31Å; N21-V25 WeakPolarHBondContact O-CG2 3.45Å; N21-V25 PolarHBondContact O-N 2.85Å; W22-V25 HydrophobicContact CE3-CB 4.49Å; W22-V25 HydrophobicContact CE3-CG1 4.33Å; V25-L29 WeakPolarHBondContact O-CB 3.38Å; V25-L29 PolarHBondContact O-N 3.08Å; V25-C50 HydrophobicContact CG1-CB 4.35Å
26S93.3Very high87.4Confident5 Ų566.1 Ų66.14%0.03535%0.346CS..Hα-helixtrans-57.3-54.2173.8159.30000111.8W22 D23 L24 L29 K30 L45W22-S26 VanDerWaalsContact O-CB 3.22Å; W22-S26 WeakPolarHBondContact O-CB 3.27Å; W22-S26 PolarHBondContact O-N 3.33Å; D23-S26 WeakPolarHBondContact O-CB 3.43Å; D23-S26 PolarHBondContact O-N 2.81Å; L24-S26 VanDerWaalsContact C-N 3.31Å; L24-S26 PolarHBondContact O-N 3.01Å; S26-L29 PolarHBondContact O-N 2.8Å; S26-K30 WeakPolarHBondContact O-CB 3.46Å; S26-K30 VanDerWaalsContact O-CG 3.25Å; S26-K30 WeakPolarHBondContact O-CG 3.48Å; S26-K30 PolarHBondContact O-N 3.02Å; S26-K30 WeakPolarHBondContact OG-CE 3.44Å; S26-K30 PolarHBondContact OG-NZ 3.32Å; S26-K30 VanDerWaalsContact OG-NZ 3.1Å; S26-L45 PolarHBondContact OG-O 2.98Å
27E91.6Very high86.4Confident96 Ų9662.3 Ų62.345%0.44933%0.326SS..Hα-helixtrans-71.4-37-176.2-58.2-37.3109.700113D23 L24 L29 K30 T31D23-E27 PolarHBondContact O-N 2.65Å; D23-E27 VanDerWaalsContact O-N 3.16Å; L24-E27 PolarHBondContact O-N 2.72Å; E27-L29 VanDerWaalsContact C-N 3.34Å; E27-L29 PolarHBondContact O-N 2.98Å; E27-K30 WeakPolarHBondContact OE1-CE 2.98Å; E27-K30 IonicContact OE1-NZ 3.44Å; E27-K30 PolarHBondContact OE1-NZ 3.29Å; E27-K30 WeakPolarHBondContact OE2-CD 3.32Å; E27-K30 IonicContact OE2-NZ 2.71Å; E27-K30 PolarHBondContact OE2-NZ 3.2Å; E27-T31 WeakPolarHBondContact O-CB 3.19Å; E27-T31 PolarHBondContact O-N 2.95Å; E27-T31 PolarHBondContact O-OG1 3.02Å
28S88.9Confident85.3Confident30 Ų3064.9 Ų64.921%0.2133%0.328CS..Hα-helixtrans-60.2-44.4173-167.20000111H18 L24 T31 S32H18-S28 WeakPolarHBondContact NE2-CB 3.42Å; H18-S28 PolarHBondContact NE2-OG 2.73Å; L24-S28 WeakPolarHBondContact O-CB 2.93Å; L24-S28 PolarHBondContact O-N 3.37Å; S28-T31 PolarHBondContact O-N 3.03Å; S28-S32 PolarHBondContact O-N 2.82Å; S28-S32 PolarHBondContact O-OG 2.88Å; S28-S32 VanDerWaalsContact O-OG 3.08Å
29L88.3Confident84Confident1 Ų168.7 Ų68.71%0.00535%0.352CS..Hα-helixtrans-71.1-44.2179.5-175.360000112.1W3 L11 V25 S26 E27 T31 S32 C33 L45W3-L29 HydrophobicContact CH2-CD2 3.73Å; W3-L29 HydrophobicContact CZ3-CD2 3.64Å; L11-L29 HydrophobicContact CB-CD2 4.34Å; L11-L29 HydrophobicContact CD1-CD2 4.21Å; V25-L29 WeakPolarHBondContact O-CB 3.38Å; V25-L29 PolarHBondContact O-N 3.08Å; S26-L29 PolarHBondContact O-N 2.8Å; E27-L29 VanDerWaalsContact C-N 3.34Å; E27-L29 PolarHBondContact O-N 2.98Å; L29-T31 PolarHBondContact O-N 3.47Å; L29-S32 PolarHBondContact O-N 3.34Å; L29-S32 VanDerWaalsContact O-N 3.11Å; L29-C33 WeakPolarHBondContact O-CB 3.3Å; L29-C33 PolarHBondContact O-N 2.9Å; L29-C33 PolarHBondContact O-SG 3.22Å; L29-L45 HydrophobicContact CD2-CD2 3.86Å; L29-L45 HydrophobicContact CG-CD2 4.14Å
30K87.7Confident82.8Confident72 Ų7269 Ų6931%0.31334%0.344SS..Hα-helixtrans-54.6-39172.9-74.1165.9-174174.50112.2S26 E27 K34 L45S26-K30 WeakPolarHBondContact O-CB 3.46Å; S26-K30 VanDerWaalsContact O-CG 3.25Å; S26-K30 WeakPolarHBondContact O-CG 3.48Å; S26-K30 PolarHBondContact O-N 3.02Å; S26-K30 WeakPolarHBondContact OG-CE 3.44Å; S26-K30 PolarHBondContact OG-NZ 3.32Å; S26-K30 VanDerWaalsContact OG-NZ 3.1Å; E27-K30 WeakPolarHBondContact OE1-CE 2.98Å; E27-K30 IonicContact OE1-NZ 3.44Å; E27-K30 PolarHBondContact OE1-NZ 3.29Å; E27-K30 WeakPolarHBondContact OE2-CD 3.32Å; E27-K30 IonicContact OE2-NZ 2.71Å; E27-K30 PolarHBondContact OE2-NZ 3.2Å; K30-K34 WeakPolarHBondContact O-CG 3.45Å; K30-K34 PolarHBondContact O-N 3.31Å; K30-L45 HydrophobicContact CB-CD1 4.36Å; K30-L45 HydrophobicContact CG-CB 3.99Å; K30-L45 HydrophobicContact CG-CD1 3.82Å
31T83.2Confident81.5Confident88 Ų8870.9 Ų70.954%0.5436%0.359SS..Hα-helixtrans-68.4-47.9176.2-55.40000110.8E27 S28 L29 C33 K34 T35E27-T31 WeakPolarHBondContact O-CB 3.19Å; E27-T31 PolarHBondContact O-N 2.95Å; E27-T31 PolarHBondContact O-OG1 3.02Å; S28-T31 PolarHBondContact O-N 3.03Å; L29-T31 PolarHBondContact O-N 3.47Å; T31-C33 PolarHBondContact O-N 3.48Å; T31-K34 PolarHBondContact O-N 3.5Å; T31-T35 PolarHBondContact O-N 3.44Å; T31-T35 PolarHBondContact O-OG1 2.94Å
32S76.6Confident80Confident24 Ų2475.1 Ų75.117%0.16838%0.38CS..Hα-helixtrans-61-41.4176.1-60.30000113.4S28 L29 T35 F36S28-S32 PolarHBondContact O-N 2.82Å; S28-S32 PolarHBondContact O-OG 2.88Å; S28-S32 VanDerWaalsContact O-OG 3.08Å; L29-S32 PolarHBondContact O-N 3.34Å; L29-S32 VanDerWaalsContact O-N 3.11Å; S32-T35 PolarHBondContact O-N 3.38Å; S32-F36 WeakPolarHBondContact O-CD2 3.39Å; S32-F36 PolarHBondContact O-N 3.29Å
33C76.6Confident78.8Confident22 Ų2274.5 Ų74.515%0.14938%0.379CS..Hα-helixtrans-60.9-46.9179.3-700000112.1L29 T31 T35 L37 L45L29-C33 WeakPolarHBondContact O-CB 3.3Å; L29-C33 PolarHBondContact O-N 2.9Å; L29-C33 PolarHBondContact O-SG 3.22Å; T31-C33 PolarHBondContact O-N 3.48Å; C33-T35 PolarHBondContact O-N 3.46Å; C33-L37 CarbonylContact O-C 3.5Å; C33-L37 PolarHBondContact O-N 3.03Å; C33-L45 HydrophobicContact CB-CD1 3.99Å; C33-L45 VanDerWaalsContact SG-CD1 3.56Å
34K72.1Confident78.4Confident163 Ų16375.1 Ų75.171%0.70938%0.383SS*.Hα-helixtrans-58.6-32.8177.4-73.9173.1-179.91780113K30 T31 K38K30-K34 WeakPolarHBondContact O-CG 3.45Å; K30-K34 PolarHBondContact O-N 3.31Å; T31-K34 PolarHBondContact O-N 3.5Å; K34-K38 WeakPolarHBondContact O-CE 3.19Å; K34-K38 WeakPolarHBondContact O-CG 3.39Å
35T69.6Low78.1Confident74 Ų7472.2 Ų72.245%0.45437%0.368SS..Hα-helixtrans-87.2-47.6-177.6-54.60000112.3T31 S32 C33 K38T31-T35 PolarHBondContact O-N 3.44Å; T31-T35 PolarHBondContact O-OG1 2.94Å; S32-T35 PolarHBondContact O-N 3.38Å; C33-T35 PolarHBondContact O-N 3.46Å; T35-K38 WeakPolarHBondContact O-CE 3.39Å
36F72.4Confident78Confident106 Ų10673.9 Ų73.947%0.46538%0.379SS..Hα-helixtrans-114.9-13.8-163.3-55.6-66.3000115.7Y10 S32Y10-F36 AromaticContact CE1-CD2 3.83Å; Y10-F36 HydrophobicContact CE1-CD2 3.83Å; Y10-F36 HydrophobicContact CE1-CE2 4.37Å; Y10-F36 HydrophobicContact CE1-CG 4.39Å; Y10-F36 HydrophobicContact CE2-CB 3.9Å; Y10-F36 AromaticContact CZ-CD2 3.75Å; Y10-F36 AromaticContact CZ-CG 3.85Å; Y10-F36 VanDerWaalsContact OH-CB 3.3Å; Y10-F36 WeakPolarHBondContact OH-CB 3.47Å; Y10-F36 VanDerWaalsContact OH-CG 3.28Å; Y10-F36 WeakPolarHBondContact OH-CG 3.4Å; S32-F36 WeakPolarHBondContact O-CD2 3.39Å; S32-F36 PolarHBondContact O-N 3.29Å
37L70.7Confident77.9Confident11 Ų1178.2 Ų78.26%0.05840%0.397CS..  trans-12232.3-174.9-53.5-175.3000112.2A7 Y10 C33 D39 E40 R86A7-L37 HydrophobicContact CB-CD1 3.85Å; Y10-L37 HydrophobicContact CD2-CD1 3.99Å; Y10-L37 HydrophobicContact CD2-CD2 3.92Å; Y10-L37 HydrophobicContact CD2-CG 4.06Å; Y10-L37 HydrophobicContact CE2-CD2 3.74Å; Y10-L37 HydrophobicContact CE2-CG 4.16Å; C33-L37 CarbonylContact O-C 3.5Å; C33-L37 PolarHBondContact O-N 3.03Å; L37-D39 PolarHBondContact O-N 2.95Å; L37-D39 VanDerWaalsContact O-N 3.13Å; L37-E40 HydrophobicContact CB-CB 4.25Å; L37-E40 HydrophobicContact CB-CG 4.44Å; L37-E40 PolarHBondContact O-N 3.45Å; L37-R86 VanDerWaalsContact CD2-NH2 3.29Å
38K66.7Low78Confident156 Ų15681.4 Ų81.468%0.67841%0.412SS*.THydrogen-bonded Turntrans-56.4-30.7-174.6-65.1176.4-178171.10113.7K34 T35K34-K38 WeakPolarHBondContact O-CE 3.19Å; K34-K38 WeakPolarHBondContact O-CG 3.39Å; T35-K38 WeakPolarHBondContact O-CE 3.39Å
39D64.9Low78.3Confident165 Ų16580.5 Ų80.588%0.88241%0.406SS*.THydrogen-bonded Turntrans-100.7-0.9-176.6-43.3-72.2000113.1L37L37-D39 PolarHBondContact O-N 2.95Å; L37-D39 VanDerWaalsContact O-N 3.13Å
40E69.7Low78.6Confident41 Ų4180.4 Ų80.419%0.19241%0.405CS..SBendtrans-90.1143173.4-64.8-171.7-178.500111A4 A7 L37 R86A4-E40 HydrophobicContact CB-CG 4.41Å; A4-E40 WeakPolarHBondContact CB-OE2 3.48Å; A7-E40 PolarHBondContact N-OE2 2.75Å; L37-E40 HydrophobicContact CB-CB 4.25Å; L37-E40 HydrophobicContact CB-CG 4.44Å; L37-E40 PolarHBondContact O-N 3.45Å; E40-R86 IonicContact OE1-CZ 3.27Å; E40-R86 IonicContact OE1-NH1 2.68Å; E40-R86 PolarHBondContact OE1-NH1 3.32Å; E40-R86 IonicContact OE1-NH2 3.47Å; E40-R86 PolarHBondContact OE1-NH2 3.01Å
41N66.8Low78.9Confident142 Ų14277.7 Ų77.776%0.75940%0.395SS*.  trans-60.6145.2-176.3-167.716.1000112.2Q43N41-Q43 PolarHBondContact O-N 3.34Å; N41-Q43 PolarHBondContact O-NE2 2.86Å
42I62.4Low79.5Confident163 Ų16378.3 Ų78.384%0.83640%0.395SS*.  trans-61.9108.3-176.2-55.1175.9000109.3
43Q71.5Confident80.4Confident36 Ų3677.2 Ų77.217%0.16839%0.387CS..  trans-90.5149.5172.7-73.7150.980.200109.4W3 N41 L45W3-Q43 VanDerWaalsContact CA-OE1 3.27Å; W3-Q43 VanDerWaalsContact CD2-OE1 3.29Å; W3-Q43 HydrophobicContact CG-CG 4.37Å; N41-Q43 PolarHBondContact O-N 3.34Å; N41-Q43 PolarHBondContact O-NE2 2.86Å; Q43-L45 HydrophobicContact CB-CD2 4.1Å; Q43-L45 WeakPolarHBondContact O-CG 3.49Å; Q43-L45 PolarHBondContact O-N 3.45Å; Q43-L45 VanDerWaalsContact O-N 3.1Å
44D85.4Confident81.3Confident96 Ų9676.6 Ų76.651%0.51338%0.381SS..  trans-68.7109.7168.2176.328.2000109.2W3 S46 S49W3-D44 WeakPolarHBondContact CZ2-O 3.08Å; D44-S46 VanDerWaalsContact C-N 3.27Å; D44-S46 WeakPolarHBondContact OD1-CB 3.35Å; D44-S46 PolarHBondContact OD1-N 3.25Å; D44-S46 PolarHBondContact OD1-OG 3.26Å; D44-S46 VanDerWaalsContact OD2-CB 3.3Å; D44-S46 WeakPolarHBondContact OD2-CB 3.33Å; D44-S46 PolarHBondContact OD2-OG 2.94Å; D44-S49 WeakPolarHBondContact O-CB 3.4Å; D44-S49 PolarHBondContact O-OG 2.71Å; D44-S49 VanDerWaalsContact OD2-CB 3.24Å; D44-S49 WeakPolarHBondContact OD2-CB 3.43Å
45L87.4Confident82.5Confident26 Ų2674.8 Ų74.814%0.13637%0.374CS..  trans-91.418.1177.1-49.7-177.2000112.1W3 S26 L29 K30 C33 Q43W3-L45 HydrophobicContact CH2-CD2 4.21Å; S26-L45 PolarHBondContact OG-O 2.98Å; L29-L45 HydrophobicContact CD2-CD2 3.86Å; L29-L45 HydrophobicContact CG-CD2 4.14Å; K30-L45 HydrophobicContact CB-CD1 4.36Å; K30-L45 HydrophobicContact CG-CB 3.99Å; K30-L45 HydrophobicContact CG-CD1 3.82Å; C33-L45 HydrophobicContact CB-CD1 3.99Å; C33-L45 VanDerWaalsContact SG-CD1 3.56Å; Q43-L45 HydrophobicContact CB-CD2 4.1Å; Q43-L45 WeakPolarHBondContact O-CG 3.49Å; Q43-L45 PolarHBondContact O-N 3.45Å; Q43-L45 VanDerWaalsContact O-N 3.1Å
46S91.3Very high83.7Confident34 Ų3476.3 Ų76.324%0.23837%0.372CS..  trans-59.3149.1172.376.80000111.5D44 Q48 S49 C50D44-S46 VanDerWaalsContact C-N 3.27Å; D44-S46 WeakPolarHBondContact OD1-CB 3.35Å; D44-S46 PolarHBondContact OD1-N 3.25Å; D44-S46 PolarHBondContact OD1-OG 3.26Å; D44-S46 VanDerWaalsContact OD2-CB 3.3Å; D44-S46 WeakPolarHBondContact OD2-CB 3.33Å; D44-S46 PolarHBondContact OD2-OG 2.94Å; S46-Q48 PolarHBondContact O-N 2.96Å; S46-Q48 VanDerWaalsContact O-N 3.12Å; S46-S49 PolarHBondContact O-N 2.94Å; S46-S49 WeakPolarHBondContact OG-CB 3.28Å; S46-S49 PolarHBondContact OG-N 3.44Å; S46-S49 VanDerWaalsContact OG-N 3.15Å; S46-C50 PolarHBondContact O-N 2.93Å; S46-C50 PolarHBondContact O-SG 2.67Å; S46-C50 VanDerWaalsContact O-SG 3.35Å
47K93.1Very high84.8Confident97 Ų9771.3 Ų71.342%0.42235%0.35SS..Hα-helixtrans-59.1-26.7178.368.4-175.6-176.2-1790114.1W22 D23 S51W22-K47 HydrophobicContact CB-CB 3.74Å; W22-K47 WeakPolarHBondContact O-CB 3.37Å; D23-K47 VanDerWaalsContact CG-CD 3.49Å; D23-K47 WeakPolarHBondContact OD1-CD 3.35Å; D23-K47 WeakPolarHBondContact OD1-CE 3.41Å; D23-K47 IonicContact OD1-NZ 2.81Å; D23-K47 PolarHBondContact OD1-NZ 3.07Å; D23-K47 VanDerWaalsContact OD2-CD 3.32Å; D23-K47 WeakPolarHBondContact OD2-CD 3.23Å; D23-K47 IonicContact OD2-NZ 3.79Å; D23-K47 PolarHBondContact OD2-NZ 3.42Å; K47-S51 WeakPolarHBondContact O-CB 3.43Å; K47-S51 PolarHBondContact O-N 2.76Å; K47-S51 VanDerWaalsContact O-N 3.14Å
48Q93.6Very high86Confident162 Ų16271 Ų7176%0.75735%0.349SS*.Hα-helixtrans-70.8-48.2173-67.6178.6-12.900111.3S46 S51 L52S46-Q48 PolarHBondContact O-N 2.96Å; S46-Q48 VanDerWaalsContact O-N 3.12Å; Q48-S51 PolarHBondContact O-N 2.77Å; Q48-L52 WeakPolarHBondContact O-CB 3.25Å; Q48-L52 PolarHBondContact O-N 3.12Å
49S93.9Very high87.4Confident11 Ų1165.8 Ų65.88%0.07733%0.334CS..Hα-helixtrans-62.3-46.6176.6-179.20000111.8W3 D44 S46 S51 L52 Q53W3-S49 WeakPolarHBondContact CZ2-OG 3.41Å; D44-S49 WeakPolarHBondContact O-CB 3.4Å; D44-S49 PolarHBondContact O-OG 2.71Å; D44-S49 VanDerWaalsContact OD2-CB 3.24Å; D44-S49 WeakPolarHBondContact OD2-CB 3.43Å; S46-S49 PolarHBondContact O-N 2.94Å; S46-S49 WeakPolarHBondContact OG-CB 3.28Å; S46-S49 PolarHBondContact OG-N 3.44Å; S46-S49 VanDerWaalsContact OG-N 3.15Å; S49-S51 PolarHBondContact O-N 3.41Å; S49-L52 PolarHBondContact O-N 3.37Å; S49-Q53 WeakPolarHBondContact O-CB 3.3Å; S49-Q53 PolarHBondContact O-N 2.94Å
50C94.3Very high88.8Confident0 Ų059.3 Ų59.30%030%0.302CS..Hα-helixtrans-55.8-45.8173.5-660000112.5L11 W22 V25 S46 Y54L11-C50 HydrophobicContact CD1-CB 3.85Å; W22-C50 HydrophobicContact CE3-CB 4.27Å; V25-C50 HydrophobicContact CG1-CB 4.35Å; S46-C50 PolarHBondContact O-N 2.93Å; S46-C50 PolarHBondContact O-SG 2.67Å; S46-C50 VanDerWaalsContact O-SG 3.35Å; C50-Y54 WeakPolarHBondContact O-CB 3.39Å; C50-Y54 PolarHBondContact O-N 3.02Å
51S95.6Very high90Very high14 Ų1457.4 Ų57.410%0.09829%0.293CS..Hα-helixtrans-66.9-40.5178.8-168.40000112.5W22 K47 Q48 S49 K55W22-S51 VanDerWaalsContact CE2-OG 3.26Å; W22-S51 WeakPolarHBondContact CZ2-OG 3.12Å; W22-S51 PolarHBondContact NE1-OG 3.35Å; K47-S51 WeakPolarHBondContact O-CB 3.43Å; K47-S51 PolarHBondContact O-N 2.76Å; K47-S51 VanDerWaalsContact O-N 3.14Å; Q48-S51 PolarHBondContact O-N 2.77Å; S49-S51 PolarHBondContact O-N 3.41Å; S51-K55 WeakPolarHBondContact O-CD 3.47Å; S51-K55 VanDerWaalsContact O-CG 3.25Å; S51-K55 WeakPolarHBondContact O-CG 3.36Å; S51-K55 PolarHBondContact O-N 2.94Å; S51-K55 VanDerWaalsContact O-N 3.1Å
52L95.2Very high91.3Very high101 Ų10156.9 Ų56.953%0.52928%0.28SS..Hα-helixtrans-69.6-39.8178.3-177.454.5000111.6M1 Q48 S49 K55 Y56M1-L52 HydrophobicContact CE-CB 4.37Å; M1-L52 HydrophobicContact CE-CD2 3.81Å; M1-L52 HydrophobicContact CE-CG 3.99Å; Q48-L52 WeakPolarHBondContact O-CB 3.25Å; Q48-L52 PolarHBondContact O-N 3.12Å; S49-L52 PolarHBondContact O-N 3.37Å; L52-K55 PolarHBondContact O-N 3.22Å; L52-Y56 WeakPolarHBondContact O-CB 3.37Å; L52-Y56 PolarHBondContact O-N 3.22Å
53Q95.2Very high92.8Very high2 Ų256.7 Ų56.71%0.00928%0.276CS..Hα-helixtrans-67.3-42.6176.1179.359.84.200112.1M1 W3 N8 L11 S49 K55 Y56 I57M1-Q53 VanDerWaalsContact CG-OE1 3.28Å; W3-Q53 HydrophobicContact CB-CG 4.38Å; W3-Q53 HydrophobicContact CD2-CB 4.17Å; W3-Q53 HydrophobicContact CD2-CG 3.61Å; W3-Q53 HydrophobicContact CE3-CG 3.83Å; W3-Q53 HydrophobicContact CG-CG 3.87Å; W3-Q53 HydrophobicContact CH2-CB 4.49Å; W3-Q53 HydrophobicContact CZ2-CB 4.11Å; W3-Q53 HydrophobicContact CZ2-CG 4.41Å; W3-Q53 HydrophobicContact CZ3-CG 4.34Å; N8-Q53 PolarHBondContact OD1-NE2 3.46Å; L11-Q53 HydrophobicContact CD2-CB 3.82Å; L11-Q53 HydrophobicContact CD2-CG 3.54Å; S49-Q53 WeakPolarHBondContact O-CB 3.3Å; S49-Q53 PolarHBondContact O-N 2.94Å; Q53-K55 PolarHBondContact O-N 2.77Å; Q53-Y56 WeakPolarHBondContact O-CB 3.42Å; Q53-Y56 PolarHBondContact O-N 3.49Å; Q53-I57 HydrophobicContact CG-CD1 4.01Å; Q53-I57 WeakPolarHBondContact O-CG1 3.34Å; Q53-I57 PolarHBondContact O-N 3.5Å
54Y96.3Very high93.8Very high8 Ų860.8 Ų60.83%0.03129%0.29CS..Hα-helixtrans-58.8-46.8174.3175.2-91.5000111.5L12 V15 W22 C50 Y56 I57 I58 E71 L75L12-Y54 HydrophobicContact CD2-CD2 4.19Å; L12-Y54 HydrophobicContact CD2-CE2 4.33Å; V15-Y54 HydrophobicContact CB-CD2 4.11Å; V15-Y54 HydrophobicContact CB-CE2 4.05Å; V15-Y54 HydrophobicContact CG1-CD2 3.85Å; V15-Y54 HydrophobicContact CG1-CE2 3.42Å; V15-Y54 VanDerWaalsContact CG1-CE2 3.42Å; V15-Y54 HydrophobicContact CG2-CD2 3.92Å; V15-Y54 HydrophobicContact CG2-CE2 4.34Å; W22-Y54 AromaticContact CH2-CD1 3.66Å; W22-Y54 HydrophobicContact CH2-CD1 3.66Å; W22-Y54 HydrophobicContact CH2-CD2 4.43Å; W22-Y54 HydrophobicContact CH2-CE1 4.39Å; W22-Y54 AromaticContact CH2-CG 3.67Å; W22-Y54 HydrophobicContact CH2-CG 3.67Å; W22-Y54 HydrophobicContact CZ2-CD1 4.38Å; W22-Y54 HydrophobicContact CZ3-CG 4.24Å; C50-Y54 WeakPolarHBondContact O-CB 3.39Å; C50-Y54 PolarHBondContact O-N 3.02Å; Y54-Y56 VanDerWaalsContact C-N 3.31Å; Y54-Y56 PolarHBondContact O-N 3.35Å; Y54-I57 PolarHBondContact O-N 2.7Å; Y54-I58 HydrophobicContact CD1-CG1 4.13Å; Y54-I58 HydrophobicContact CD2-CG1 4.44Å; Y54-I58 HydrophobicContact CE1-CD1 4.5Å; Y54-I58 HydrophobicContact CE1-CG1 3.68Å; Y54-I58 HydrophobicContact CE2-CD1 4.17Å; Y54-I58 HydrophobicContact CE2-CG1 4.02Å; Y54-I58 WeakPolarHBondContact O-CG1 3.43Å; Y54-I58 PolarHBondContact O-N 3.14Å; Y54-E71 WeakPolarHBondContact CE1-OE1 3.38Å; Y54-L75 HydrophobicContact CE2-CD1 4.05Å
55K96Very high94Very high126 Ų12658.9 Ų58.955%0.54828%0.28SS..Hα-helixtrans-59-41175.8-72.9167.1-175.11730112.2S51 L52 Q53 A59S51-K55 WeakPolarHBondContact O-CD 3.47Å; S51-K55 VanDerWaalsContact O-CG 3.25Å; S51-K55 WeakPolarHBondContact O-CG 3.36Å; S51-K55 PolarHBondContact O-N 2.94Å; S51-K55 VanDerWaalsContact O-N 3.1Å; L52-K55 PolarHBondContact O-N 3.22Å; Q53-K55 PolarHBondContact O-N 2.77Å; K55-A59 WeakPolarHBondContact O-CB 3.47Å; K55-A59 PolarHBondContact O-N 3.4Å
56Y95.8Very high93.9Very high105 Ų10563.3 Ų63.341%0.41231%0.31SS..Hα-helixtrans-61.3-48.1175.2176.3-98.1000111.6M1 L52 Q53 Y54 I58 A59 S60M1-Y56 HydrophobicContact CB-CD1 4.23Å; M1-Y56 HydrophobicContact CB-CG 4.45Å; L52-Y56 WeakPolarHBondContact O-CB 3.37Å; L52-Y56 PolarHBondContact O-N 3.22Å; Q53-Y56 WeakPolarHBondContact O-CB 3.42Å; Q53-Y56 PolarHBondContact O-N 3.49Å; Y54-Y56 VanDerWaalsContact C-N 3.31Å; Y54-Y56 PolarHBondContact O-N 3.35Å; Y56-I58 PolarHBondContact O-N 3.05Å; Y56-A59 PolarHBondContact O-N 3.41Å; Y56-S60 PolarHBondContact O-N 2.96Å; Y56-S60 PolarHBondContact O-OG 3.38Å
57I95.7Very high93.6Very high2 Ų264.6 Ų64.61%0.0133%0.328CS..Hα-helixtrans-59.7-49.1177.6-67164.4000111.4N8 L11 L12 Q53 Y54 A59 S60 A61 S78 Y82N8-I57 HydrophobicContact CB-CD1 4.27Å; L11-I57 HydrophobicContact CD2-CD1 4.22Å; L12-I57 HydrophobicContact CD1-CD1 4.37Å; L12-I57 HydrophobicContact CD1-CG2 4.2Å; L12-I57 HydrophobicContact CD2-CD1 4.32Å; L12-I57 HydrophobicContact CD2-CG2 3.95Å; L12-I57 HydrophobicContact CG-CD1 4.28Å; Q53-I57 HydrophobicContact CG-CD1 4.01Å; Q53-I57 WeakPolarHBondContact O-CG1 3.34Å; Q53-I57 PolarHBondContact O-N 3.5Å; Y54-I57 PolarHBondContact O-N 2.7Å; I57-A59 VanDerWaalsContact C-N 3.32Å; I57-A59 PolarHBondContact O-N 3.16Å; I57-S60 CarbonylContact O-C 3.54Å; I57-S60 PolarHBondContact O-N 2.94Å; I57-A61 WeakPolarHBondContact O-CB 3.48Å; I57-A61 PolarHBondContact O-N 3.18Å; I57-S78 WeakPolarHBondContact CG2-OG 3.44Å; I57-Y82 HydrophobicContact CD1-CE2 4.4Å; I57-Y82 HydrophobicContact CG1-CE2 4.15Å; I57-Y82 HydrophobicContact CG2-CD2 4.42Å; I57-Y82 HydrophobicContact CG2-CE2 3.91Å
58I96.1Very high93.3Very high5 Ų568.2 Ų68.23%0.02635%0.353CS..Hα-helixtrans-63.4-37.5179.6-64.6-61.5000111.6Y54 Y56 A61 R62 E71 L74 L75Y54-I58 HydrophobicContact CD1-CG1 4.13Å; Y54-I58 HydrophobicContact CD2-CG1 4.44Å; Y54-I58 HydrophobicContact CE1-CD1 4.5Å; Y54-I58 HydrophobicContact CE1-CG1 3.68Å; Y54-I58 HydrophobicContact CE2-CD1 4.17Å; Y54-I58 HydrophobicContact CE2-CG1 4.02Å; Y54-I58 WeakPolarHBondContact O-CG1 3.43Å; Y54-I58 PolarHBondContact O-N 3.14Å; Y56-I58 PolarHBondContact O-N 3.05Å; I58-A61 WeakPolarHBondContact O-CB 3.45Å; I58-A61 PolarHBondContact O-N 3.36Å; I58-R62 WeakPolarHBondContact O-CG 3.44Å; I58-R62 PolarHBondContact O-N 3.43Å; I58-E71 HydrophobicContact CG2-CG 4.18Å; I58-L74 HydrophobicContact CD1-CB 4.09Å; I58-L74 HydrophobicContact CG2-CB 4.32Å; I58-L74 HydrophobicContact CG2-CD1 4.31Å; I58-L75 HydrophobicContact CD1-CB 4.19Å
59A94.8Very high93.2Very high45 Ų4562.8 Ų62.837%0.37233%0.328SS..Hα-helixtrans-63.9-44.8173.600000111.9K55 Y56 I57 A61 R62 Q63K55-A59 WeakPolarHBondContact O-CB 3.47Å; K55-A59 PolarHBondContact O-N 3.4Å; Y56-A59 PolarHBondContact O-N 3.41Å; I57-A59 VanDerWaalsContact C-N 3.32Å; I57-A59 PolarHBondContact O-N 3.16Å; A59-A61 VanDerWaalsContact C-N 3.27Å; A59-A61 PolarHBondContact O-N 2.84Å; A59-R62 PolarHBondContact O-N 2.71Å; A59-Q63 WeakPolarHBondContact O-CG 3.13Å; A59-Q63 PolarHBondContact O-N 3.21Å
60S94.6Very high93.2Very high30 Ų3066 Ų6621%0.2135%0.348CS..Hα-helixtrans-66.7-25.2173.8-61.30000113.4Y56 I57 R64Y56-S60 PolarHBondContact O-N 2.96Å; Y56-S60 PolarHBondContact O-OG 3.38Å; I57-S60 CarbonylContact O-C 3.54Å; I57-S60 PolarHBondContact O-N 2.94Å; S60-R64 WeakPolarHBondContact O-CG 3.36Å; S60-R64 PolarHBondContact O-N 3.39Å; S60-R64 PolarHBondContact O-NE 3.32Å
61A94.5Very high93.2Very high0 Ų069.2 Ų69.20%036%0.363CS..Hα-helixtrans-72.1-43.6171.900000111.6I57 I58 A59 Q63 R64 N65 L74 S78I57-A61 WeakPolarHBondContact O-CB 3.48Å; I57-A61 PolarHBondContact O-N 3.18Å; I58-A61 WeakPolarHBondContact O-CB 3.45Å; I58-A61 PolarHBondContact O-N 3.36Å; A59-A61 VanDerWaalsContact C-N 3.27Å; A59-A61 PolarHBondContact O-N 2.84Å; A61-Q63 PolarHBondContact O-N 3.35Å; A61-R64 PolarHBondContact O-N 2.88Å; A61-N65 PolarHBondContact O-N 3.2Å; A61-N65 PolarHBondContact O-ND2 3.34Å; A61-L74 HydrophobicContact CB-CB 4.45Å; A61-L74 HydrophobicContact CB-CD2 3.98Å; A61-S78 WeakPolarHBondContact CB-OG 3.39Å
62R95.6Very high93.1Very high132 Ų13272.1 Ų72.150%0.49838%0.383SS..Hα-helixtrans-60.7-41.4174.4-73.5178.5175.2162.12.4112.6I58 A59 R64 N65 L74I58-R62 WeakPolarHBondContact O-CG 3.44Å; I58-R62 PolarHBondContact O-N 3.43Å; A59-R62 PolarHBondContact O-N 2.71Å; R62-R64 VanDerWaalsContact C-N 3.25Å; R62-R64 PolarHBondContact O-N 3.21Å; R62-N65 CarbonylContact O-C 3.6Å; R62-N65 PolarHBondContact O-N 3.42Å; R62-L74 HydrophobicContact CG-CD1 3.39Å; R62-L74 HydrophobicContact CG-CD2 3.75Å; R62-L74 HydrophobicContact CG-CG 4.21Å
63Q93.8Very high93.1Very high159 Ų15971.4 Ų71.474%0.74338%0.377SS*.Hα-helixtrans-64.2-29.2177.4-73.6173.7-16.600113.2A59 A61A59-Q63 WeakPolarHBondContact O-CG 3.13Å; A59-Q63 PolarHBondContact O-N 3.21Å; A61-Q63 PolarHBondContact O-N 3.35Å
64R92Very high93.1Very high121 Ų12171.3 Ų71.346%0.45738%0.377SS..Hα-helixtrans-90.1-21.8177.9-67.9-174.3-62.2159.50.6114S60 A61 R62 P66 H81S60-R64 WeakPolarHBondContact O-CG 3.36Å; S60-R64 PolarHBondContact O-N 3.39Å; S60-R64 PolarHBondContact O-NE 3.32Å; A61-R64 PolarHBondContact O-N 2.88Å; R62-R64 VanDerWaalsContact C-N 3.25Å; R62-R64 PolarHBondContact O-N 3.21Å; R64-P66 VanDerWaalsContact C-CD 3.5Å; R64-P66 WeakPolarHBondContact O-CD 3.39Å; R64-H81 PolarHBondContact NH1-CD2 3.08Å; R64-H81 PolarHBondContact NH1-CE1 3.34Å; R64-H81 PolarHBondContact NH1-NE2 3.46Å; R64-H81 PolarHBondContact NH2-ND1 3.01Å
65N90Very high93.1Very high56 Ų5671.5 Ų71.530%0.29938%0.378SS..SBendtrans-125.174.3-177.8-56.7-92.4000109A61 R62 G67 L69A61-N65 PolarHBondContact O-N 3.2Å; A61-N65 PolarHBondContact O-ND2 3.34Å; R62-N65 CarbonylContact O-C 3.6Å; R62-N65 PolarHBondContact O-N 3.42Å; N65-G67 PolarHBondContact O-N 3.22Å; N65-G67 VanDerWaalsContact O-N 3.12Å; N65-L69 HydrophobicContact CB-CD1 3.63Å
66P85.1Confident92.9Very high120 Ų12069.4 Ų69.478%0.77937%0.373SS*.  trans-67.6109-179.527.7-34.3000110.8R64R64-P66 VanDerWaalsContact C-CD 3.5Å; R64-P66 WeakPolarHBondContact O-CD 3.39Å
67G84.9Confident92.8Very high60 Ų6067.2 Ų67.262%0.61937%0.367SS*.SBendtrans175.5170.4179.200000110.5N65 L69N65-G67 PolarHBondContact O-N 3.22Å; N65-G67 VanDerWaalsContact O-N 3.12Å; G67-L69 PolarHBondContact O-N 3.14Å
68D87.1Confident92.8Very high174 Ų17467.1 Ų67.193%0.9337%0.367SS*.  trans-80.165.5178.4-163.315.9000111.2
69L90.5Very high92.6Very high47 Ų4767 Ų6725%0.24637%0.366CS..  trans-89.9126.7-179.4-67.2173.2000110.7N65 G67 Q73 L74 I77N65-L69 HydrophobicContact CB-CD1 3.63Å; G67-L69 PolarHBondContact O-N 3.14Å; L69-Q73 HydrophobicContact CB-CB 4.45Å; L69-Q73 HydrophobicContact CD2-CB 4.27Å; L69-L74 HydrophobicContact CB-CD1 4.25Å; L69-L74 HydrophobicContact CB-CD2 4.03Å; L69-L74 HydrophobicContact CB-CG 3.86Å; L69-L74 HydrophobicContact CD1-CD2 4.09Å; L69-L74 VanDerWaalsContact O-CD1 3.25Å; L69-L74 WeakPolarHBondContact O-CD1 3.26Å; L69-I77 HydrophobicContact CD1-CD1 3.9Å
70T94.3Very high92.3Very high80 Ų8068.1 Ų68.149%0.49137%0.366SS..  trans-60.2155.2172.765.90000111.2S72 Q73 L74T70-S72 PolarHBondContact O-N 3.33Å; T70-S72 VanDerWaalsContact O-N 3.16Å; T70-Q73 PolarHBondContact O-N 2.86Å; T70-Q73 VanDerWaalsContact O-N 3.13Å; T70-Q73 WeakPolarHBondContact OG1-CG 3.44Å; T70-Q73 PolarHBondContact OG1-N 2.96Å; T70-Q73 PolarHBondContact OG1-OE1 2.98Å; T70-L74 WeakPolarHBondContact O-CD1 3.44Å; T70-L74 WeakPolarHBondContact O-CG 3.12Å; T70-L74 PolarHBondContact O-N 3.4Å
71E94.1Very high92.2Very high67 Ų6769.3 Ų69.331%0.31337%0.368SS..Hα-helixtrans-61-25.4177.3-166.3171.9-166.700113K20 Y54 I58 L75K20-E71 WeakPolarHBondContact CE-OE1 3.35Å; K20-E71 IonicContact NZ-OE1 3.06Å; K20-E71 PolarHBondContact NZ-OE1 3.4Å; K20-E71 IonicContact NZ-OE2 3.91Å; K20-E71 PolarHBondContact NZ-OE2 2.89Å; Y54-E71 WeakPolarHBondContact CE1-OE1 3.38Å; I58-E71 HydrophobicContact CG2-CG 4.18Å; E71-L75 WeakPolarHBondContact O-CB 3.32Å; E71-L75 PolarHBondContact O-N 2.73Å
72S93.6Very high92.1Very high74 Ų7470.9 Ų70.952%0.51738%0.375SS..Hα-helixtrans-69.6-47.2173-170.10000112.1T70 L74 L75 N76T70-S72 PolarHBondContact O-N 3.33Å; T70-S72 VanDerWaalsContact O-N 3.16Å; S72-L74 VanDerWaalsContact C-N 3.31Å; S72-L74 PolarHBondContact O-N 3Å; S72-L75 WeakPolarHBondContact O-CB 3.3Å; S72-L75 PolarHBondContact O-N 3.4Å; S72-N76 PolarHBondContact O-N 2.86Å
73Q94.4Very high91.4Very high86 Ų8665 Ų6540%0.40235%0.353SS..Hα-helixtrans-60.3-42.6173.8-72158.9-56.200111.2L69 T70 L75 N76 I77L69-Q73 HydrophobicContact CB-CB 4.45Å; L69-Q73 HydrophobicContact CD2-CB 4.27Å; T70-Q73 PolarHBondContact O-N 2.86Å; T70-Q73 VanDerWaalsContact O-N 3.13Å; T70-Q73 WeakPolarHBondContact OG1-CG 3.44Å; T70-Q73 PolarHBondContact OG1-N 2.96Å; T70-Q73 PolarHBondContact OG1-OE1 2.98Å; Q73-L75 PolarHBondContact O-N 2.9Å; Q73-N76 PolarHBondContact O-N 3.13Å; Q73-I77 WeakPolarHBondContact O-CB 3.32Å; Q73-I77 WeakPolarHBondContact O-CD1 3.39Å; Q73-I77 VanDerWaalsContact O-CG1 3.26Å; Q73-I77 WeakPolarHBondContact O-CG1 3.47Å; Q73-I77 PolarHBondContact O-N 3.16Å
74L96.3Very high90.8Very high1 Ų159.6 Ų59.61%0.00533%0.331CS..Hα-helixtrans-66.4-34.2177.6-67.9160.3000113I58 A61 R62 L69 T70 S72 S78I58-L74 HydrophobicContact CD1-CB 4.09Å; I58-L74 HydrophobicContact CG2-CB 4.32Å; I58-L74 HydrophobicContact CG2-CD1 4.31Å; A61-L74 HydrophobicContact CB-CB 4.45Å; A61-L74 HydrophobicContact CB-CD2 3.98Å; R62-L74 HydrophobicContact CG-CD1 3.39Å; R62-L74 HydrophobicContact CG-CD2 3.75Å; R62-L74 HydrophobicContact CG-CG 4.21Å; L69-L74 HydrophobicContact CB-CD1 4.25Å; L69-L74 HydrophobicContact CB-CD2 4.03Å; L69-L74 HydrophobicContact CB-CG 3.86Å; L69-L74 HydrophobicContact CD1-CD2 4.09Å; L69-L74 VanDerWaalsContact O-CD1 3.25Å; L69-L74 WeakPolarHBondContact O-CD1 3.26Å; T70-L74 WeakPolarHBondContact O-CD1 3.44Å; T70-L74 WeakPolarHBondContact O-CG 3.12Å; T70-L74 PolarHBondContact O-N 3.4Å; S72-L74 VanDerWaalsContact C-N 3.31Å; S72-L74 PolarHBondContact O-N 3Å; L74-S78 VanDerWaalsContact O-CB 3.27Å; L74-S78 WeakPolarHBondContact O-CB 3.48Å; L74-S78 PolarHBondContact O-N 2.94Å; L74-S78 PolarHBondContact O-OG 3.05Å
75L95.5Very high90.6Very high12 Ų1256.4 Ų56.46%0.06332%0.323CS..Hα-helixtrans-62.8-49.5170.1169.151.9000110.5L12 V15 L16 Y54 I58 E71 S72 Q73 S78 L79L12-L75 HydrophobicContact CB-CD1 4.07Å; L12-L75 HydrophobicContact CD2-CD1 3.58Å; L12-L75 HydrophobicContact CG-CD1 4.44Å; V15-L75 HydrophobicContact CG1-CD2 4.37Å; L16-L75 HydrophobicContact CD1-CD2 4.31Å; Y54-L75 HydrophobicContact CE2-CD1 4.05Å; I58-L75 HydrophobicContact CD1-CB 4.19Å; E71-L75 WeakPolarHBondContact O-CB 3.32Å; E71-L75 PolarHBondContact O-N 2.73Å; S72-L75 WeakPolarHBondContact O-CB 3.3Å; S72-L75 PolarHBondContact O-N 3.4Å; Q73-L75 PolarHBondContact O-N 2.9Å; L75-S78 WeakPolarHBondContact O-CB 2.8Å; L75-S78 PolarHBondContact O-N 2.97Å; L75-L79 VanDerWaalsContact O-CB 3.28Å; L75-L79 WeakPolarHBondContact O-CB 3.2Å; L75-L79 PolarHBondContact O-N 3.4Å
76N93.1Very high90.3Very high82 Ų8255.3 Ų55.344%0.43931%0.314SS..Hα-helixtrans-63.1-45.2-179.4-68.4-11000112.2S72 Q73 S78 L79 D80S72-N76 PolarHBondContact O-N 2.86Å; Q73-N76 PolarHBondContact O-N 3.13Å; N76-S78 VanDerWaalsContact C-N 3.3Å; N76-S78 PolarHBondContact O-N 2.78Å; N76-L79 PolarHBondContact O-N 3.41Å; N76-L79 VanDerWaalsContact O-N 3.17Å; N76-D80 PolarHBondContact O-N 3.44Å
77I93.3Very high89.7Confident58 Ų5854.3 Ų54.330%0.29730%0.295SS..Hα-helixtrans-59.8-40.6174.1-67161.8000111.1L69 Q73 H81L69-I77 HydrophobicContact CD1-CD1 3.9Å; Q73-I77 WeakPolarHBondContact O-CB 3.32Å; Q73-I77 WeakPolarHBondContact O-CD1 3.39Å; Q73-I77 VanDerWaalsContact O-CG1 3.26Å; Q73-I77 WeakPolarHBondContact O-CG1 3.47Å; Q73-I77 PolarHBondContact O-N 3.16Å; I77-H81 VanDerWaalsContact O-CB 3.26Å; I77-H81 WeakPolarHBondContact O-CB 3.2Å; I77-H81 PolarHBondContact O-N 3.13Å
78S95.4Very high89.4Confident0 Ų056.7 Ų56.70%029%0.29CS..Hα-helixtrans-66.8-40.5175.9-600000112.1I57 A61 L74 L75 N76 Y82I57-S78 WeakPolarHBondContact CG2-OG 3.44Å; A61-S78 WeakPolarHBondContact CB-OG 3.39Å; L74-S78 VanDerWaalsContact O-CB 3.27Å; L74-S78 WeakPolarHBondContact O-CB 3.48Å; L74-S78 PolarHBondContact O-N 2.94Å; L74-S78 PolarHBondContact O-OG 3.05Å; L75-S78 WeakPolarHBondContact O-CB 2.8Å; L75-S78 PolarHBondContact O-N 2.97Å; N76-S78 VanDerWaalsContact C-N 3.3Å; N76-S78 PolarHBondContact O-N 2.78Å; S78-Y82 WeakPolarHBondContact O-CD2 3.49Å; S78-Y82 PolarHBondContact O-N 3.18Å
79L92.3Very high88.8Confident3 Ų352.4 Ų52.42%0.01626%0.264CS..Hα-helixtrans-69.6-43.8-175.4174.360.7000111.8L12 R13 L16 L75 N76 T83 F226L12-L79 HydrophobicContact CB-CB 4.28Å; L12-L79 HydrophobicContact CB-CD1 3.88Å; R13-L79 HydrophobicContact CG-CD1 3.52Å; L16-L79 HydrophobicContact CD2-CD2 3.66Å; L75-L79 VanDerWaalsContact O-CB 3.28Å; L75-L79 WeakPolarHBondContact O-CB 3.2Å; L75-L79 PolarHBondContact O-N 3.4Å; N76-L79 PolarHBondContact O-N 3.41Å; N76-L79 VanDerWaalsContact O-N 3.17Å; L79-T83 VanDerWaalsContact O-CB 3.24Å; L79-T83 WeakPolarHBondContact O-CB 3.2Å; L79-T83 PolarHBondContact O-N 2.89Å; L79-T83 PolarHBondContact O-OG1 3.47Å; L79-F226 HydrophobicContact CD2-CE2 4.36Å; L79-F226 HydrophobicContact CD2-CZ 4Å; L79-F226 HydrophobicContact CG-CZ 4.04Å
80D87.8Confident87.9Confident68 Ų6852.8 Ų52.836%0.36427%0.267SS..Hα-helixtrans-63.8-50172.2178.568.9000110.5N76 Y82 T83 T84 R87N76-D80 PolarHBondContact O-N 3.44Å; D80-Y82 VanDerWaalsContact C-N 3.33Å; D80-Y82 PolarHBondContact O-N 2.74Å; D80-T83 CarbonylContact O-C 3.54Å; D80-T83 WeakPolarHBondContact O-CA 3.33Å; D80-T83 WeakPolarHBondContact O-CB 3.38Å; D80-T83 PolarHBondContact O-N 3.48Å; D80-T84 PolarHBondContact O-N 3.24Å; D80-T84 PolarHBondContact O-OG1 2.97Å; D80-T84 PolarHBondContact OD2-OG1 3.1Å; D80-R87 IonicContact OD1-NH2 3.02Å; D80-R87 PolarHBondContact OD1-NH2 3.22Å
81H93.4Very high86.6Confident55 Ų5553.6 Ų53.626%0.25527%0.265SS..Hα-helixtrans-50.8-48.4178.6169.1-94.9000113R64 I77 T84 L85R64-H81 PolarHBondContact NH1-CD2 3.08Å; R64-H81 PolarHBondContact NH1-CE1 3.34Å; R64-H81 PolarHBondContact NH1-NE2 3.46Å; R64-H81 PolarHBondContact NH2-ND1 3.01Å; I77-H81 VanDerWaalsContact O-CB 3.26Å; I77-H81 WeakPolarHBondContact O-CB 3.2Å; I77-H81 PolarHBondContact O-N 3.13Å; H81-T84 PolarHBondContact O-N 2.92Å; H81-L85 WeakPolarHBondContact CE1-CD1 3.26Å; H81-L85 WeakPolarHBondContact O-CG 3.5Å; H81-L85 PolarHBondContact O-N 3.43Å
82Y91.4Very high85.4Confident34 Ų3453.2 Ų53.213%0.13327%0.273CS..Hα-helixtrans-75.6-21.7176.3-80.4-71.7000113.8V5 N8 L12 I57 S78 D80 L85 R86V5-Y82 HydrophobicContact CG1-CD1 4.42Å; V5-Y82 HydrophobicContact CG2-CD1 4.49Å; N8-Y82 HydrophobicContact CB-CD1 3.52Å; N8-Y82 HydrophobicContact CB-CD2 4.2Å; N8-Y82 HydrophobicContact CB-CE1 3.62Å; N8-Y82 HydrophobicContact CB-CE2 4.27Å; N8-Y82 HydrophobicContact CB-CG 3.83Å; N8-Y82 WeakPolarHBondContact ND2-CE1 3.34Å; L12-Y82 HydrophobicContact CD1-CD2 3.6Å; L12-Y82 HydrophobicContact CD1-CE2 4.44Å; L12-Y82 HydrophobicContact CD1-CG 4.22Å; I57-Y82 HydrophobicContact CD1-CE2 4.4Å; I57-Y82 HydrophobicContact CG1-CE2 4.15Å; I57-Y82 HydrophobicContact CG2-CD2 4.42Å; I57-Y82 HydrophobicContact CG2-CE2 3.91Å; S78-Y82 WeakPolarHBondContact O-CD2 3.49Å; S78-Y82 PolarHBondContact O-N 3.18Å; D80-Y82 VanDerWaalsContact C-N 3.33Å; D80-Y82 PolarHBondContact O-N 2.74Å; Y82-L85 HydrophobicContact CD1-CD1 4.33Å; Y82-L85 HydrophobicContact CE1-CD1 4.49Å; Y82-R86 VanDerWaalsContact O-CB 3.25Å; Y82-R86 WeakPolarHBondContact O-CB 3.43Å; Y82-R86 PolarHBondContact O-N 3.49Å; Y82-R86 VanDerWaalsContact O-N 3.13Å
83T81.5Confident84.1Confident9 Ų952.4 Ų52.46%0.05527%0.271CS..Hα-helixtrans-72.2-42.1169.4-60.30000110.8C9 R13 L79 D80 R86 R87C9-T83 PolarHBondContact SG-OG1 3.48Å; R13-T83 PolarHBondContact NH2-OG1 3.31Å; L79-T83 VanDerWaalsContact O-CB 3.24Å; L79-T83 WeakPolarHBondContact O-CB 3.2Å; L79-T83 PolarHBondContact O-N 2.89Å; L79-T83 PolarHBondContact O-OG1 3.47Å; D80-T83 CarbonylContact O-C 3.54Å; D80-T83 WeakPolarHBondContact O-CA 3.33Å; D80-T83 WeakPolarHBondContact O-CB 3.38Å; D80-T83 PolarHBondContact O-N 3.48Å; T83-R86 CarbonylContact O-C 3.37Å; T83-R86 PolarHBondContact O-N 2.98Å; T83-R87 WeakPolarHBondContact O-CG 3.5Å; T83-R87 PolarHBondContact O-N 2.84Å
84T80.6Confident82.6Confident45 Ų4549.3 Ų49.328%0.27626%0.256SS..Hα-helixtrans-59.6-54.9174.1-63.60000111.6D80 H81 R86 R87 E88D80-T84 PolarHBondContact O-N 3.24Å; D80-T84 PolarHBondContact O-OG1 2.97Å; D80-T84 PolarHBondContact OD2-OG1 3.1Å; H81-T84 PolarHBondContact O-N 2.92Å; T84-R86 PolarHBondContact O-N 3.32Å; T84-R86 VanDerWaalsContact O-N 3.14Å; T84-R87 WeakPolarHBondContact O-CB 3.33Å; T84-R87 PolarHBondContact O-N 2.88Å; T84-R87 PolarHBondContact OG1-NH2 3.49Å; T84-E88 WeakPolarHBondContact CG2-OE1 3.41Å; T84-E88 WeakPolarHBondContact O-CG 3.25Å; T84-E88 PolarHBondContact O-N 3.14Å
85L87.3Confident81.1Confident53 Ų5353.1 Ų53.128%0.27728%0.276SS..Hα-helixtrans-56.9-33.1174.3-68.2176.1000112.4V5 H81 Y82 Q89V5-L85 HydrophobicContact CG1-CB 3.58Å; V5-L85 HydrophobicContact CG2-CB 4.3Å; V5-L85 HydrophobicContact CG2-CD1 4.38Å; H81-L85 WeakPolarHBondContact CE1-CD1 3.26Å; H81-L85 WeakPolarHBondContact O-CG 3.5Å; H81-L85 PolarHBondContact O-N 3.43Å; Y82-L85 HydrophobicContact CD1-CD1 4.33Å; Y82-L85 HydrophobicContact CE1-CD1 4.49Å; L85-Q89 WeakPolarHBondContact O-CG 3.34Å; L85-Q89 PolarHBondContact O-N 2.99Å; L85-Q89 VanDerWaalsContact O-N 3.08Å
86R84.7Confident79.7Confident33 Ų3357.1 Ų57.113%0.12529%0.294CS..Hα-helixtrans-74.3-36.6176.5-171.550171-166.7-6.7112.7V5 L37 E40 Y82 T83 T84 L90V5-R86 HydrophobicContact CG1-CB 3.97Å; L37-R86 VanDerWaalsContact CD2-NH2 3.29Å; E40-R86 IonicContact OE1-CZ 3.27Å; E40-R86 IonicContact OE1-NH1 2.68Å; E40-R86 PolarHBondContact OE1-NH1 3.32Å; E40-R86 IonicContact OE1-NH2 3.47Å; E40-R86 PolarHBondContact OE1-NH2 3.01Å; Y82-R86 VanDerWaalsContact O-CB 3.25Å; Y82-R86 WeakPolarHBondContact O-CB 3.43Å; Y82-R86 PolarHBondContact O-N 3.49Å; Y82-R86 VanDerWaalsContact O-N 3.13Å; T83-R86 CarbonylContact O-C 3.37Å; T83-R86 PolarHBondContact O-N 2.98Å; T84-R86 PolarHBondContact O-N 3.32Å; T84-R86 VanDerWaalsContact O-N 3.14Å; R86-L90 HydrophobicContact CG-CD1 3.83Å; R86-L90 HydrophobicContact CG-CG 4.42Å; R86-L90 WeakPolarHBondContact O-CB 3.46Å; R86-L90 WeakPolarHBondContact O-CD1 3.41Å; R86-L90 VanDerWaalsContact O-CG 3.25Å; R86-L90 WeakPolarHBondContact O-CG 3.25Å; R86-L90 PolarHBondContact O-N 3.28Å; R86-L90 VanDerWaalsContact O-N 3.09Å
87R72.5Confident78.4Confident99 Ų9958 Ų5837%0.37430%0.298SS..Hα-helixtrans-59.4-47.2171.9-73.7179.6-75.3-134.9-1110.1D80 T83 T84 L90 H91D80-R87 IonicContact OD1-NH2 3.02Å; D80-R87 PolarHBondContact OD1-NH2 3.22Å; T83-R87 WeakPolarHBondContact O-CG 3.5Å; T83-R87 PolarHBondContact O-N 2.84Å; T84-R87 WeakPolarHBondContact O-CB 3.33Å; T84-R87 PolarHBondContact O-N 2.88Å; T84-R87 PolarHBondContact OG1-NH2 3.49Å; R87-L90 PolarHBondContact O-N 3.08Å; R87-H91 WeakPolarHBondContact O-CB 3.45Å; R87-H91 PolarHBondContact O-N 3.34Å
88E77.5Confident76.9Confident110 Ų11056.5 Ų56.551%0.51429%0.29SS..Hα-helixtrans-60.2-50.6177.2-69.2165.9-169.600112.8T84 L90 H91 A92T84-E88 WeakPolarHBondContact CG2-OE1 3.41Å; T84-E88 WeakPolarHBondContact O-CG 3.25Å; T84-E88 PolarHBondContact O-N 3.14Å; E88-L90 PolarHBondContact O-N 3.45Å; E88-H91 WeakPolarHBondContact O-CB 3.35Å; E88-H91 PolarHBondContact O-N 3.48Å; E88-H91 VanDerWaalsContact O-N 3.16Å; E88-A92 PolarHBondContact O-N 2.96Å
89Q76Confident75.7Confident84 Ų8463.2 Ų63.239%0.39332%0.315SS..Hα-helixtrans-57.2-46.2177.3-78.6-174.9-1900112.8L85 H91 A92 A93L85-Q89 WeakPolarHBondContact O-CG 3.34Å; L85-Q89 PolarHBondContact O-N 2.99Å; L85-Q89 VanDerWaalsContact O-N 3.08Å; Q89-H91 VanDerWaalsContact C-N 3.28Å; Q89-H91 PolarHBondContact O-N 2.85Å; Q89-A92 PolarHBondContact O-N 3.01Å; Q89-A93 WeakPolarHBondContact O-CB 3.35Å; Q89-A93 PolarHBondContact O-N 3.35Å
90L70.1Confident74.8Confident56 Ų5665.4 Ų65.429%0.29333%0.334SS..Hα-helixtrans-70.5-26.1-179.8-68.2168.6000112.1R86 R87 E88 R94R86-L90 HydrophobicContact CG-CD1 3.83Å; R86-L90 HydrophobicContact CG-CG 4.42Å; R86-L90 WeakPolarHBondContact O-CB 3.46Å; R86-L90 WeakPolarHBondContact O-CD1 3.41Å; R86-L90 VanDerWaalsContact O-CG 3.25Å; R86-L90 WeakPolarHBondContact O-CG 3.25Å; R86-L90 PolarHBondContact O-N 3.28Å; R86-L90 VanDerWaalsContact O-N 3.09Å; R87-L90 PolarHBondContact O-N 3.08Å; E88-L90 PolarHBondContact O-N 3.45Å; L90-R94 WeakPolarHBondContact O-CB 3.26Å
91H67.7Low73.9Confident96 Ų9666.7 Ų66.744%0.44434%0.339SS..Hα-helixtrans-71-48.2170.2-172.4112.1000111.1R87 E88 Q89 R94 L95R87-H91 WeakPolarHBondContact O-CB 3.45Å; R87-H91 PolarHBondContact O-N 3.34Å; E88-H91 WeakPolarHBondContact O-CB 3.35Å; E88-H91 PolarHBondContact O-N 3.48Å; E88-H91 VanDerWaalsContact O-N 3.16Å; Q89-H91 VanDerWaalsContact C-N 3.28Å; Q89-H91 PolarHBondContact O-N 2.85Å; H91-R94 PolarHBondContact O-N 3.21Å; H91-L95 PolarHBondContact O-N 3.22Å
92A70Confident73.1Confident60 Ų6069 Ų6950%0.49635%0.348SS..Hα-helixtrans-63.7-48.7-177.900000113E88 Q89 R94 L95 E96E88-A92 PolarHBondContact O-N 2.96Å; Q89-A92 PolarHBondContact O-N 3.01Å; A92-R94 PolarHBondContact O-N 3.3Å; A92-L95 PolarHBondContact O-N 2.95Å; A92-E96 PolarHBondContact O-N 3.02Å
93A66.1Low72.5Confident57 Ų5770 Ų7047%0.47136%0.355SS..Hα-helixtrans-59.1-32.3178.500000112.7Q89 E96 I97Q89-A93 WeakPolarHBondContact O-CB 3.35Å; Q89-A93 PolarHBondContact O-N 3.35Å; A93-E96 PolarHBondContact O-N 2.64Å; A93-I97 WeakPolarHBondContact O-CG1 3.44Å; A93-I97 PolarHBondContact O-N 3.36Å; A93-I97 VanDerWaalsContact O-N 3.14Å
94R61.7Low72.2Confident21 Ų2171.9 Ų71.98%0.07936%0.363CS..Hα-helixtrans-79.9-34.2-179.6170.4-141.1-172.6-154.40.6113L90 H91 A92 E96 I97 L98 L210 F213L90-R94 WeakPolarHBondContact O-CB 3.26Å; H91-R94 PolarHBondContact O-N 3.21Å; A92-R94 PolarHBondContact O-N 3.3Å; R94-E96 PolarHBondContact O-N 3.17Å; R94-I97 PolarHBondContact O-N 3.29Å; R94-L98 WeakPolarHBondContact O-CG 3.44Å; R94-L98 PolarHBondContact O-N 3.5Å; R94-L210 VanDerWaalsContact NH2-C 3.34Å; R94-L210 PolarHBondContact NH2-O 3.33Å; R94-F213 HydrophobicContact CB-CE1 4.17Å; R94-F213 HydrophobicContact CB-CZ 4.11Å; R94-F213 VanDerWaalsContact CD-CD1 3.46Å; R94-F213 VanDerWaalsContact CD-CE1 3.44Å; R94-F213 HydrophobicContact CG-CD1 3.96Å; R94-F213 HydrophobicContact CG-CD2 4.49Å; R94-F213 HydrophobicContact CG-CE1 3.85Å; R94-F213 HydrophobicContact CG-CE2 4.41Å; R94-F213 HydrophobicContact CG-CG 4.26Å; R94-F213 HydrophobicContact CG-CZ 4.07Å
95L65.8Low72Confident81 Ų8175 Ų7542%0.42438%0.375SS..Hα-helixtrans-59.8-38.2167.7-72.4178.2000110.9H91 A92 L98 R99H91-L95 PolarHBondContact O-N 3.22Å; A92-L95 PolarHBondContact O-N 2.95Å; L95-L98 PolarHBondContact O-N 2.86Å; L95-R99 WeakPolarHBondContact O-CB 3.49Å; L95-R99 PolarHBondContact O-N 3.04Å
96E66.4Low71.8Confident95 Ų9576.3 Ų76.344%0.44438%0.38SS..Hα-helixtrans-67.1-42.4175.6-167.157-14100112.3A92 A93 R94 L98 R99 A100A92-E96 PolarHBondContact O-N 3.02Å; A93-E96 PolarHBondContact O-N 2.64Å; R94-E96 PolarHBondContact O-N 3.17Å; E96-L98 VanDerWaalsContact C-N 3.31Å; E96-L98 PolarHBondContact O-N 2.8Å; E96-R99 WeakPolarHBondContact O-CB 3.19Å; E96-R99 PolarHBondContact O-N 3.47Å; E96-R99 IonicContact OE2-CZ 3.33Å; E96-R99 IonicContact OE2-NH1 3.71Å; E96-R99 PolarHBondContact OE2-NH1 3.28Å; E96-A100 WeakPolarHBondContact O-CB 3.47Å; E96-A100 PolarHBondContact O-N 3.06Å
97I63.9Low71.8Confident102 Ų10274.8 Ų74.852%0.52337%0.374SS..Hα-helixtrans-57.8-43.8173.8-69.7165.6000111.2A93 R94 A100 M101A93-I97 WeakPolarHBondContact O-CG1 3.44Å; A93-I97 PolarHBondContact O-N 3.36Å; A93-I97 VanDerWaalsContact O-N 3.14Å; R94-I97 PolarHBondContact O-N 3.29Å; I97-A100 PolarHBondContact O-N 3.41Å; I97-M101 HydrophobicContact CG2-CG 4.43Å; I97-M101 HydrophobicContact CG2-SD 4.18Å; I97-M101 WeakPolarHBondContact O-CG 3.47Å; I97-M101 PolarHBondContact O-N 3.44Å
98L62.5Low72.2Confident25 Ų2571.3 Ų71.313%0.13137%0.366CS..Hα-helixtrans-70.6-36.6179.9-69.3166.8000112.7R94 L95 E96 A100 M101 K102 L210R94-L98 WeakPolarHBondContact O-CG 3.44Å; R94-L98 PolarHBondContact O-N 3.5Å; L95-L98 PolarHBondContact O-N 2.86Å; E96-L98 VanDerWaalsContact C-N 3.31Å; E96-L98 PolarHBondContact O-N 2.8Å; L98-A100 VanDerWaalsContact C-N 3.34Å; L98-M101 HydrophobicContact CD2-SD 4.34Å; L98-M101 PolarHBondContact O-N 2.89Å; L98-K102 WeakPolarHBondContact O-CB 3.43Å; L98-K102 PolarHBondContact O-N 3Å; L98-L210 HydrophobicContact CD1-CB 3.78Å; L98-L210 HydrophobicContact CD1-CD1 3.28Å; L98-L210 HydrophobicContact CD1-CG 4.08Å
99R71.5Confident72.3Confident142 Ų14269.7 Ų69.754%0.53636%0.359SS..Hα-helixtrans-58.4-45.6169.6176.1-178.5-70.2141.5-2111L95 E96 K102 I103L95-R99 WeakPolarHBondContact O-CB 3.49Å; L95-R99 PolarHBondContact O-N 3.04Å; E96-R99 WeakPolarHBondContact O-CB 3.19Å; E96-R99 PolarHBondContact O-N 3.47Å; E96-R99 IonicContact OE2-CZ 3.33Å; E96-R99 IonicContact OE2-NH1 3.71Å; E96-R99 PolarHBondContact OE2-NH1 3.28Å; R99-K102 PolarHBondContact O-N 3.4Å; R99-I103 HydrophobicContact CG-CD1 4.09Å; R99-I103 WeakPolarHBondContact O-CB 3.43Å; R99-I103 WeakPolarHBondContact O-CG1 3.47Å; R99-I103 PolarHBondContact O-N 2.83Å
100A71.7Confident72.8Confident49 Ų4967.8 Ų67.841%0.40535%0.349SS..Hα-helixtrans-65.9-42.7176.900000112.7E96 I97 L98 I103 E104E96-A100 WeakPolarHBondContact O-CB 3.47Å; E96-A100 PolarHBondContact O-N 3.06Å; I97-A100 PolarHBondContact O-N 3.41Å; L98-A100 VanDerWaalsContact C-N 3.34Å; A100-I103 PolarHBondContact O-N 2.9Å; A100-E104 PolarHBondContact O-N 2.87Å
101M68.6Low73.3Confident95 Ų9567.3 Ų67.347%0.46835%0.347SS..Hα-helixtrans-61.4-44175.5-74.2-179.371.500112.1I97 L98 E104 E105I97-M101 HydrophobicContact CG2-CG 4.43Å; I97-M101 HydrophobicContact CG2-SD 4.18Å; I97-M101 WeakPolarHBondContact O-CG 3.47Å; I97-M101 PolarHBondContact O-N 3.44Å; L98-M101 HydrophobicContact CD2-SD 4.34Å; L98-M101 PolarHBondContact O-N 2.89Å; M101-E104 PolarHBondContact O-N 2.91Å; M101-E105 WeakPolarHBondContact O-CB 3.23Å; M101-E105 PolarHBondContact O-N 2.96Å
102K76.8Confident74Confident104 Ų10470.1 Ų70.145%0.45235%0.353SS..Hα-helixtrans-62-44.6176.2-177.8167.6177.2166.50111.8L98 R99 E104 E105 E106L98-K102 WeakPolarHBondContact O-CB 3.43Å; L98-K102 PolarHBondContact O-N 3Å; R99-K102 PolarHBondContact O-N 3.4Å; K102-E104 VanDerWaalsContact C-N 3.35Å; K102-E104 PolarHBondContact O-N 3.22Å; K102-E105 PolarHBondContact O-N 3.07Å; K102-E106 WeakPolarHBondContact CE-OE1 3.33Å; K102-E106 HydrophobicContact CG-CG 4.47Å; K102-E106 WeakPolarHBondContact O-CG 3.44Å; K102-E106 PolarHBondContact O-N 3.12Å
103I79.3Confident74.8Confident55 Ų5573.9 Ų73.928%0.28236%0.361SS..Hα-helixtrans-58-44.3175.1-81.2167.9000111.8R99 A100 D107 R123R99-I103 HydrophobicContact CG-CD1 4.09Å; R99-I103 WeakPolarHBondContact O-CB 3.43Å; R99-I103 WeakPolarHBondContact O-CG1 3.47Å; R99-I103 PolarHBondContact O-N 2.83Å; A100-I103 PolarHBondContact O-N 2.9Å; I103-D107 WeakPolarHBondContact O-CB 3.34Å; I103-D107 PolarHBondContact O-N 3.21Å; I103-R123 VanDerWaalsContact CG2-CZ 3.42Å
104E75.8Confident75.6Confident48 Ų4872.6 Ų72.622%0.22435%0.353CS..Hα-helixtrans-74.6-27.4179.4-169.7159-141.600112.6A100 M101 K102 A108 R130 T165A100-E104 PolarHBondContact O-N 2.87Å; M101-E104 PolarHBondContact O-N 2.91Å; K102-E104 VanDerWaalsContact C-N 3.35Å; K102-E104 PolarHBondContact O-N 3.22Å; E104-A108 WeakPolarHBondContact O-CB 3.5Å; E104-A108 PolarHBondContact O-N 3.19Å; E104-R130 IonicContact OE1-CZ 2.76Å; E104-R130 IonicContact OE1-NH1 3.33Å; E104-R130 PolarHBondContact OE1-NH1 3.44Å; E104-R130 IonicContact OE1-NH2 2.7Å; E104-R130 PolarHBondContact OE1-NH2 2.98Å; E104-T165 VanDerWaalsContact OE2-CB 3.25Å; E104-T165 WeakPolarHBondContact OE2-CB 3.29Å; E104-T165 WeakPolarHBondContact OE2-CG2 3.42Å
105E75.5Confident76.9Confident109 Ų10973.6 Ų73.651%0.50936%0.362SS..Hα-helixtrans-70-45.8171.8-175.4171.1-146.400112.3M101 K102 A108 E109 Q206M101-E105 WeakPolarHBondContact O-CB 3.23Å; M101-E105 PolarHBondContact O-N 2.96Å; K102-E105 PolarHBondContact O-N 3.07Å; E105-A108 PolarHBondContact O-N 3.13Å; E105-E109 PolarHBondContact O-N 3.43Å; E105-Q206 PolarHBondContact OE2-NE2 3.1Å
106E83.2Confident78Confident82 Ų8271.2 Ų71.238%0.38335%0.348SS..Hα-helixtrans-59.7-46.5174-73.6174.7-169.600111.5K102 E109 K110K102-E106 WeakPolarHBondContact CE-OE1 3.33Å; K102-E106 HydrophobicContact CG-CG 4.47Å; K102-E106 WeakPolarHBondContact O-CG 3.44Å; K102-E106 PolarHBondContact O-N 3.12Å; E106-E109 PolarHBondContact O-N 3.48Å; E106-K110 WeakPolarHBondContact O-CG 3.36Å; E106-K110 PolarHBondContact O-N 3.27Å; E106-K110 VanDerWaalsContact O-N 3.08Å
107D84.9Confident79.2Confident0 Ų071.1 Ų71.10%036%0.358CS..Hα-helixtrans-66.5-37175.4-79.51.6000111.9I103 E109 K110 L111 I119 R123 Y127I103-D107 WeakPolarHBondContact O-CB 3.34Å; I103-D107 PolarHBondContact O-N 3.21Å; D107-E109 VanDerWaalsContact C-N 3.32Å; D107-E109 PolarHBondContact O-N 3.09Å; D107-K110 PolarHBondContact O-N 2.77Å; D107-L111 WeakPolarHBondContact O-CB 3.48Å; D107-L111 WeakPolarHBondContact O-CG 3.25Å; D107-L111 PolarHBondContact O-N 2.87Å; D107-I119 HydrophobicContact CB-CD1 4.3Å; D107-I119 HydrophobicContact CB-CG1 4.44Å; D107-I119 WeakPolarHBondContact OD2-CG2 3.34Å; D107-R123 VanDerWaalsContact CG-NH2 3.34Å; D107-R123 IonicContact OD1-CZ 3.58Å; D107-R123 IonicContact OD1-NE 3.61Å; D107-R123 IonicContact OD1-NH2 2.65Å; D107-R123 PolarHBondContact OD1-NH2 2.85Å; D107-R123 WeakPolarHBondContact OD2-CB 3.44Å; D107-R123 WeakPolarHBondContact OD2-CD 3.49Å; D107-R123 IonicContact OD2-CZ 3.4Å; D107-R123 IonicContact OD2-NE 2.68Å; D107-R123 PolarHBondContact OD2-NE 2.73Å; D107-R123 IonicContact OD2-NH2 2.69Å; D107-R123 PolarHBondContact OD2-NH2 2.75Å; D107-Y127 HydrophobicContact CB-CE2 3.86Å; D107-Y127 VanDerWaalsContact CB-OH 3.3Å; D107-Y127 WeakPolarHBondContact CB-OH 3.39Å; D107-Y127 WeakPolarHBondContact OD2-CE2 3.49Å; D107-Y127 PolarHBondContact OD2-OH 3.14Å
108A80.7Confident80.5Confident27 Ų2771.5 Ų71.522%0.22336%0.358CS..Hα-helixtrans-65.9-33.5176.700000112.4E104 E105 R112E104-A108 WeakPolarHBondContact O-CB 3.5Å; E104-A108 PolarHBondContact O-N 3.19Å; E105-A108 PolarHBondContact O-N 3.13Å; A108-R112 WeakPolarHBondContact O-CG 3.44Å; A108-R112 PolarHBondContact O-N 3.02Å; A108-R112 VanDerWaalsContact O-N 3.07Å; A108-R112 PolarHBondContact O-NH1 2.83Å
109E79.9Confident81.8Confident76 Ų7670.6 Ų70.636%0.35535%0.353SS..Hα-helixtrans-69.8-44.5172.2-171.559.1-158.500111.5E105 E106 D107 L111 R112 Q113E105-E109 PolarHBondContact O-N 3.43Å; E106-E109 PolarHBondContact O-N 3.48Å; D107-E109 VanDerWaalsContact C-N 3.32Å; D107-E109 PolarHBondContact O-N 3.09Å; E109-L111 VanDerWaalsContact C-N 3.27Å; E109-L111 PolarHBondContact O-N 3.23Å; E109-R112 WeakPolarHBondContact O-CB 3.28Å; E109-R112 PolarHBondContact O-N 3.43Å; E109-R112 IonicContact OE2-CZ 2.72Å; E109-R112 IonicContact OE2-NE 2.67Å; E109-R112 PolarHBondContact OE2-NE 3.08Å; E109-R112 IonicContact OE2-NH2 3.12Å; E109-R112 PolarHBondContact OE2-NH2 2.91Å; E109-Q113 HydrophobicContact CG-CG 4.26Å; E109-Q113 WeakPolarHBondContact O-CG 3.39Å; E109-Q113 PolarHBondContact O-N 3.41Å; E109-Q113 VanDerWaalsContact OE1-CG 3.27Å; E109-Q113 WeakPolarHBondContact OE1-CG 3.38Å; E109-Q113 PolarHBondContact OE1-NE2 2.68Å
110K85.7Confident82.8Confident43 Ų4366.3 Ų66.319%0.18734%0.343CS..Hα-helixtrans-60-35.8173.1-69.4165.6176.1-178.90112.4E106 D107 G114 P115 E118 I119E106-K110 WeakPolarHBondContact O-CG 3.36Å; E106-K110 PolarHBondContact O-N 3.27Å; E106-K110 VanDerWaalsContact O-N 3.08Å; D107-K110 PolarHBondContact O-N 2.77Å; K110-G114 PolarHBondContact O-N 2.89Å; K110-P115 HydrophobicContact CB-CG 4.41Å; K110-P115 HydrophobicContact CG-CG 4.37Å; K110-P115 WeakPolarHBondContact O-CD 3.46Å; K110-E118 HydrophobicContact CD-CB 3.75Å; K110-E118 VanDerWaalsContact CE-OE2 3.27Å; K110-E118 WeakPolarHBondContact CE-OE2 3.21Å; K110-E118 HydrophobicContact CG-CB 4.32Å; K110-E118 PolarHBondContact NZ-O 3.31Å; K110-I119 HydrophobicContact CB-CD1 3.78Å; K110-I119 HydrophobicContact CB-CG1 3.73Å; K110-I119 HydrophobicContact CD-CG1 3.79Å; K110-I119 HydrophobicContact CG-CG1 4.4Å
111L82Confident83.8Confident46 Ų4668.8 Ų68.824%0.24136%0.355CS..Hα-helixtrans-69-30.7173.5-73.9167.6000113.2D107 E109 Y116 I119 Y127 I140D107-L111 WeakPolarHBondContact O-CB 3.48Å; D107-L111 WeakPolarHBondContact O-CG 3.25Å; D107-L111 PolarHBondContact O-N 2.87Å; E109-L111 VanDerWaalsContact C-N 3.27Å; E109-L111 PolarHBondContact O-N 3.23Å; L111-Y116 HydrophobicContact CD2-CD1 4.05Å; L111-Y116 HydrophobicContact CD2-CE1 4.14Å; L111-I119 HydrophobicContact CD2-CD1 3.99Å; L111-I119 HydrophobicContact CG-CD1 3.77Å; L111-Y127 HydrophobicContact CD1-CD1 3.62Å; L111-Y127 HydrophobicContact CD1-CD2 3.94Å; L111-Y127 HydrophobicContact CD1-CE1 3.73Å; L111-Y127 HydrophobicContact CD1-CE2 4.06Å; L111-Y127 HydrophobicContact CD1-CG 3.76Å; L111-Y127 HydrophobicContact CD2-CD2 4.48Å; L111-Y127 HydrophobicContact CD2-CG 4.4Å; L111-I140 HydrophobicContact CD2-CD1 3.58Å; L111-I140 HydrophobicContact CD2-CG1 4.06Å
112R82.4Confident84.8Confident155 Ų15570.1 Ų70.159%0.58536%0.364SS*.Hα-helixtrans-75.3-50.2175-77.4-177.2-67.6-94.68.2112.1A108 E109A108-R112 WeakPolarHBondContact O-CG 3.44Å; A108-R112 PolarHBondContact O-N 3.02Å; A108-R112 VanDerWaalsContact O-N 3.07Å; A108-R112 PolarHBondContact O-NH1 2.83Å; E109-R112 WeakPolarHBondContact O-CB 3.28Å; E109-R112 PolarHBondContact O-N 3.43Å; E109-R112 IonicContact OE2-CZ 2.72Å; E109-R112 IonicContact OE2-NE 2.67Å; E109-R112 PolarHBondContact OE2-NE 3.08Å; E109-R112 IonicContact OE2-NH2 3.12Å; E109-R112 PolarHBondContact OE2-NH2 2.91Å
113Q86.7Confident85.4Confident139 Ų13968.4 Ų68.465%0.6536%0.355SS*.Hα-helixtrans-76.7-23.1-175.1-60.9-64.3-8.500113.2E109 P115E109-Q113 HydrophobicContact CG-CG 4.26Å; E109-Q113 WeakPolarHBondContact O-CG 3.39Å; E109-Q113 PolarHBondContact O-N 3.41Å; E109-Q113 VanDerWaalsContact OE1-CG 3.27Å; E109-Q113 WeakPolarHBondContact OE1-CG 3.38Å; E109-Q113 PolarHBondContact OE1-NE2 2.68Å; Q113-P115 HydrophobicContact CB-CG 4.43Å
114G83.5Confident85.9Confident31 Ų3166.4 Ų66.432%0.3235%0.345SS..  trans95.7-3.3179.600000119.3K110 Y116K110-G114 PolarHBondContact O-N 2.89Å; G114-Y116 WeakPolarHBondContact O-CD2 3.27Å; G114-Y116 PolarHBondContact O-N 3.35Å
115P88.8Confident86.5Confident41 Ų4167.1 Ų67.127%0.26635%0.35SS..  trans-76.363.8173.334-36.7000111.2K110 Q113 S117 E118K110-P115 HydrophobicContact CB-CG 4.41Å; K110-P115 HydrophobicContact CG-CG 4.37Å; K110-P115 WeakPolarHBondContact O-CD 3.46Å; Q113-P115 HydrophobicContact CB-CG 4.43Å; P115-S117 PolarHBondContact O-N 3.49Å; P115-S117 VanDerWaalsContact O-N 3.08Å; P115-E118 HydrophobicContact CB-CG 4.17Å; P115-E118 WeakPolarHBondContact CB-OE1 3.24Å; P115-E118 WeakPolarHBondContact O-CB 3.28Å; P115-E118 PolarHBondContact O-N 3.41Å
116Y88.7Confident87Confident31 Ų3165 Ų6512%0.12234%0.344CS..G310 helixtrans-57.6-27.8-176-54-55.6000112.9L111 G114 E118 I119 L124 I140 C143L111-Y116 HydrophobicContact CD2-CD1 4.05Å; L111-Y116 HydrophobicContact CD2-CE1 4.14Å; G114-Y116 WeakPolarHBondContact O-CD2 3.27Å; G114-Y116 PolarHBondContact O-N 3.35Å; Y116-E118 PolarHBondContact O-N 3.04Å; Y116-I119 PolarHBondContact O-N 2.83Å; Y116-L124 WeakPolarHBondContact O-CD2 3.44Å; Y116-I140 HydrophobicContact CD1-CG1 4.14Å; Y116-I140 HydrophobicContact CE1-CG1 4.21Å; Y116-I140 HydrophobicContact CG-CG2 4.48Å; Y116-C143 HydrophobicContact CD2-CB 3.71Å; Y116-C143 HydrophobicContact CE2-CB 3.65Å
117S90.5Very high87.2Confident94 Ų9462.3 Ų62.366%0.65733%0.331SS*.G310 helixtrans-64.2-16176.646.90000114.7P115 I119P115-S117 PolarHBondContact O-N 3.49Å; P115-S117 VanDerWaalsContact O-N 3.08Å; S117-I119 VanDerWaalsContact C-N 3.3Å
118E91.7Very high87.3Confident110 Ų11062.8 Ų62.851%0.51433%0.333SS..G310 helixtrans-85.80.5176-63.2178.9-152.900113.7K110 P115 Y116K110-E118 HydrophobicContact CD-CB 3.75Å; K110-E118 VanDerWaalsContact CE-OE2 3.27Å; K110-E118 WeakPolarHBondContact CE-OE2 3.21Å; K110-E118 HydrophobicContact CG-CB 4.32Å; K110-E118 PolarHBondContact NZ-O 3.31Å; P115-E118 HydrophobicContact CB-CG 4.17Å; P115-E118 WeakPolarHBondContact CB-OE1 3.24Å; P115-E118 WeakPolarHBondContact O-CB 3.28Å; P115-E118 PolarHBondContact O-N 3.41Å; Y116-E118 PolarHBondContact O-N 3.04Å
119I89.8Confident87.5Confident5 Ų564.5 Ų64.53%0.02634%0.335CS..SBendtrans-99.9129.4177.3-58.6176000108.4D107 K110 L111 Y116 S117 R123 L124 Y127D107-I119 HydrophobicContact CB-CD1 4.3Å; D107-I119 HydrophobicContact CB-CG1 4.44Å; D107-I119 WeakPolarHBondContact OD2-CG2 3.34Å; K110-I119 HydrophobicContact CB-CD1 3.78Å; K110-I119 HydrophobicContact CB-CG1 3.73Å; K110-I119 HydrophobicContact CD-CG1 3.79Å; K110-I119 HydrophobicContact CG-CG1 4.4Å; L111-I119 HydrophobicContact CD2-CD1 3.99Å; L111-I119 HydrophobicContact CG-CD1 3.77Å; Y116-I119 PolarHBondContact O-N 2.83Å; S117-I119 VanDerWaalsContact C-N 3.3Å; I119-R123 HydrophobicContact CG2-CB 3.81Å; I119-L124 HydrophobicContact CB-CD2 3.67Å; I119-L124 HydrophobicContact CB-CG 3.75Å; I119-L124 HydrophobicContact CD1-CD2 4.06Å; I119-L124 HydrophobicContact CG1-CD2 4.39Å; I119-L124 HydrophobicContact CG2-CD2 3.83Å; I119-L124 HydrophobicContact CG2-CG 3.74Å; I119-L124 WeakPolarHBondContact O-CD1 3.28Å; I119-L124 WeakPolarHBondContact O-CG 3.21Å; I119-Y127 HydrophobicContact CG2-CD2 4.35Å; I119-Y127 HydrophobicContact CG2-CE2 4.14Å
120P93.1Very high87.7Confident52 Ų5263.2 Ų63.234%0.33833%0.327SS..  trans-55.8144178.3-28.636.2000113.8D122 R123 L124P120-D122 VanDerWaalsContact C-N 3.32Å; P120-D122 PolarHBondContact O-N 2.72Å; P120-D122 VanDerWaalsContact O-N 3.14Å; P120-R123 HydrophobicContact CB-CG 4.39Å; P120-R123 PolarHBondContact O-N 3.15Å; P120-L124 PolarHBondContact O-N 3.42Å
121P91.4Very high87.5Confident101 Ų10162.4 Ų62.466%0.65633%0.326SS*.Hα-helixtrans-53.3-38.3-172.2-30.736.5000115.9L124 L125P121-L124 PolarHBondContact O-N 3.36Å; P121-L125 VanDerWaalsContact O-CB 3.3Å; P121-L125 WeakPolarHBondContact O-CB 3.35Å; P121-L125 PolarHBondContact O-N 3.23Å
122D91.2Very high87.4Confident124 Ų12462.9 Ų62.966%0.66333%0.325SS*.Hα-helixtrans-69.8-33.6179.3-59-57000112.8P120 T126P120-D122 VanDerWaalsContact C-N 3.32Å; P120-D122 PolarHBondContact O-N 2.72Å; P120-D122 VanDerWaalsContact O-N 3.14Å; D122-T126 PolarHBondContact O-N 2.8Å; D122-T126 VanDerWaalsContact O-N 3.11Å; D122-T126 PolarHBondContact O-OG1 2.95Å
123R89.6Confident87.2Confident68 Ų6855.8 Ų55.826%0.25730%0.299SS..Hα-helixtrans-73.6-45175.4-51.3-157.7-54.4-135.615.8109.4I103 D107 I119 P120 L125 T126 Y127I103-R123 VanDerWaalsContact CG2-CZ 3.42Å; D107-R123 VanDerWaalsContact CG-NH2 3.34Å; D107-R123 IonicContact OD1-CZ 3.58Å; D107-R123 IonicContact OD1-NE 3.61Å; D107-R123 IonicContact OD1-NH2 2.65Å; D107-R123 PolarHBondContact OD1-NH2 2.85Å; D107-R123 WeakPolarHBondContact OD2-CB 3.44Å; D107-R123 WeakPolarHBondContact OD2-CD 3.49Å; D107-R123 IonicContact OD2-CZ 3.4Å; D107-R123 IonicContact OD2-NE 2.68Å; D107-R123 PolarHBondContact OD2-NE 2.73Å; D107-R123 IonicContact OD2-NH2 2.69Å; D107-R123 PolarHBondContact OD2-NH2 2.75Å; I119-R123 HydrophobicContact CG2-CB 3.81Å; P120-R123 HydrophobicContact CB-CG 4.39Å; P120-R123 PolarHBondContact O-N 3.15Å; R123-L125 PolarHBondContact O-N 2.93Å; R123-T126 WeakPolarHBondContact O-CA 3.5Å; R123-T126 WeakPolarHBondContact O-CB 3.33Å; R123-T126 PolarHBondContact O-N 3.42Å; R123-Y127 HydrophobicContact CB-CE2 4.08Å; R123-Y127 WeakPolarHBondContact O-CD2 3.32Å; R123-Y127 PolarHBondContact O-N 3.06Å
124L89.1Confident86.8Confident12 Ų1254.3 Ų54.36%0.06330%0.295CS..Hα-helixtrans-52.9-49.3169-77.6-179.9000112.6Y116 I119 P120 P121 T126 Y127 R128 I140 L144Y116-L124 WeakPolarHBondContact O-CD2 3.44Å; I119-L124 HydrophobicContact CB-CD2 3.67Å; I119-L124 HydrophobicContact CB-CG 3.75Å; I119-L124 HydrophobicContact CD1-CD2 4.06Å; I119-L124 HydrophobicContact CG1-CD2 4.39Å; I119-L124 HydrophobicContact CG2-CD2 3.83Å; I119-L124 HydrophobicContact CG2-CG 3.74Å; I119-L124 WeakPolarHBondContact O-CD1 3.28Å; I119-L124 WeakPolarHBondContact O-CG 3.21Å; P120-L124 PolarHBondContact O-N 3.42Å; P121-L124 PolarHBondContact O-N 3.36Å; L124-T126 PolarHBondContact O-N 2.9Å; L124-Y127 PolarHBondContact O-N 3.07Å; L124-Y127 VanDerWaalsContact O-N 3.12Å; L124-R128 WeakPolarHBondContact O-CG 3.38Å; L124-R128 PolarHBondContact O-N 3.07Å; L124-I140 HydrophobicContact CD2-CG2 3.76Å; L124-L144 HydrophobicContact CD1-CD1 3.85Å
125L88.6Confident86.4Confident63 Ų6356 Ų5633%0.3331%0.313SS..Hα-helixtrans-59-35.1177.817858.9000111.6P121 R123 K129 L149P121-L125 VanDerWaalsContact O-CB 3.3Å; P121-L125 WeakPolarHBondContact O-CB 3.35Å; P121-L125 PolarHBondContact O-N 3.23Å; R123-L125 PolarHBondContact O-N 2.93Å; L125-K129 HydrophobicContact CG-CD 4.33Å; L125-K129 WeakPolarHBondContact O-CB 3.17Å; L125-K129 WeakPolarHBondContact O-CD 3.25Å; L125-K129 WeakPolarHBondContact O-CG 3.48Å; L125-K129 PolarHBondContact O-N 2.99Å; L125-L149 HydrophobicContact CD1-CD2 3.75Å
126T85.6Confident85.9Confident64 Ų6458.5 Ų58.539%0.39332%0.323SS..Hα-helixtrans-68.5-43.6174.6-58.70000112D122 R123 L124 K129 R130D122-T126 PolarHBondContact O-N 2.8Å; D122-T126 VanDerWaalsContact O-N 3.11Å; D122-T126 PolarHBondContact O-OG1 2.95Å; R123-T126 WeakPolarHBondContact O-CA 3.5Å; R123-T126 WeakPolarHBondContact O-CB 3.33Å; R123-T126 PolarHBondContact O-N 3.42Å; L124-T126 PolarHBondContact O-N 2.9Å; T126-K129 PolarHBondContact O-N 3.26Å; T126-R130 WeakPolarHBondContact O-CG 3.46Å; T126-R130 PolarHBondContact O-N 2.72Å
127Y86.4Confident85.6Confident26 Ų2660.4 Ų60.410%0.10234%0.339CS..Hα-helixtrans-65.7-40.3174.2-61.6-61.4000112.7D107 L111 I119 R123 L124 K129 R130 C131D107-Y127 HydrophobicContact CB-CE2 3.86Å; D107-Y127 VanDerWaalsContact CB-OH 3.3Å; D107-Y127 WeakPolarHBondContact CB-OH 3.39Å; D107-Y127 WeakPolarHBondContact OD2-CE2 3.49Å; D107-Y127 PolarHBondContact OD2-OH 3.14Å; L111-Y127 HydrophobicContact CD1-CD1 3.62Å; L111-Y127 HydrophobicContact CD1-CD2 3.94Å; L111-Y127 HydrophobicContact CD1-CE1 3.73Å; L111-Y127 HydrophobicContact CD1-CE2 4.06Å; L111-Y127 HydrophobicContact CD1-CG 3.76Å; L111-Y127 HydrophobicContact CD2-CD2 4.48Å; L111-Y127 HydrophobicContact CD2-CG 4.4Å; I119-Y127 HydrophobicContact CG2-CD2 4.35Å; I119-Y127 HydrophobicContact CG2-CE2 4.14Å; R123-Y127 HydrophobicContact CB-CE2 4.08Å; R123-Y127 WeakPolarHBondContact O-CD2 3.32Å; R123-Y127 PolarHBondContact O-N 3.06Å; L124-Y127 PolarHBondContact O-N 3.07Å; L124-Y127 VanDerWaalsContact O-N 3.12Å; Y127-K129 PolarHBondContact O-N 2.92Å; Y127-R130 WeakPolarHBondContact O-CB 3.22Å; Y127-R130 PolarHBondContact O-N 2.81Å; Y127-R130 VanDerWaalsContact O-N 3.16Å; Y127-C131 PolarHBondContact O-N 3.47Å; Y127-C131 PolarHBondContact O-SG 3.07Å
128R88.2Confident85.4Confident11 Ų1157.4 Ų57.44%0.04232%0.316CS..Hα-helixtrans-62.2-41.1173.8-66.2-174.569.4-153.6-4.8111.8L124 C131 R132 D138 I140 M146 E147 L149L124-R128 WeakPolarHBondContact O-CG 3.38Å; L124-R128 PolarHBondContact O-N 3.07Å; R128-C131 PolarHBondContact O-N 3.18Å; R128-R132 PolarHBondContact O-N 2.98Å; R128-D138 IonicContact CZ-OD2 3.19Å; R128-D138 IonicContact NE-OD1 3.53Å; R128-D138 IonicContact NE-OD2 2.79Å; R128-D138 PolarHBondContact NE-OD2 3.2Å; R128-D138 IonicContact NH2-OD2 2.72Å; R128-D138 PolarHBondContact NH2-OD2 2.98Å; R128-I140 HydrophobicContact CG-CB 3.97Å; R128-I140 HydrophobicContact CG-CD1 4.25Å; R128-I140 HydrophobicContact CG-CG2 3.83Å; R128-M146 VanDerWaalsContact NH1-CB 3.34Å; R128-E147 PolarHBondContact NH1-O 2.92Å; R128-E147 PolarHBondContact NH2-O 3.23Å; R128-L149 HydrophobicContact CB-CD1 3.73Å; R128-L149 HydrophobicContact CB-CG 4.24Å; R128-L149 WeakPolarHBondContact O-CD1 3.19Å
129K85.4Confident85Confident62 Ų6258.7 Ų58.727%0.2732%0.319SS..Hα-helixtrans-61.1-41.1172.3-75.3164.5-177.2167.40111.6L125 T126 Y127 R132 A133 L149 V160L125-K129 HydrophobicContact CG-CD 4.33Å; L125-K129 WeakPolarHBondContact O-CB 3.17Å; L125-K129 WeakPolarHBondContact O-CD 3.25Å; L125-K129 WeakPolarHBondContact O-CG 3.48Å; L125-K129 PolarHBondContact O-N 2.99Å; T126-K129 PolarHBondContact O-N 3.26Å; Y127-K129 PolarHBondContact O-N 2.92Å; K129-R132 PolarHBondContact O-N 3.38Å; K129-A133 WeakPolarHBondContact O-CB 3.32Å; K129-A133 PolarHBondContact O-N 3.21Å; K129-L149 HydrophobicContact CG-CD1 4.06Å; K129-V160 HydrophobicContact CB-CG2 4.37Å
130R82.7Confident84.9Confident50 Ų5058.8 Ų58.819%0.18932%0.32CS..Hα-helixtrans-60.3-46.1173.1-74.2172.7167.5174.8-4.9111.8E104 T126 Y127 R132 A133 L134 V160 F163 T165E104-R130 IonicContact OE1-CZ 2.76Å; E104-R130 IonicContact OE1-NH1 3.33Å; E104-R130 PolarHBondContact OE1-NH1 3.44Å; E104-R130 IonicContact OE1-NH2 2.7Å; E104-R130 PolarHBondContact OE1-NH2 2.98Å; T126-R130 WeakPolarHBondContact O-CG 3.46Å; T126-R130 PolarHBondContact O-N 2.72Å; Y127-R130 WeakPolarHBondContact O-CB 3.22Å; Y127-R130 PolarHBondContact O-N 2.81Å; Y127-R130 VanDerWaalsContact O-N 3.16Å; R130-R132 PolarHBondContact O-N 3.22Å; R130-A133 PolarHBondContact O-N 2.92Å; R130-L134 WeakPolarHBondContact O-CB 3.42Å; R130-L134 VanDerWaalsContact O-CG 3.3Å; R130-L134 WeakPolarHBondContact O-CG 3.49Å; R130-L134 PolarHBondContact O-N 2.93Å; R130-V160 HydrophobicContact CB-CG1 4.26Å; R130-V160 HydrophobicContact CG-CG1 3.69Å; R130-F163 PolarHBondContact NH2-O 3.19Å; R130-T165 PolarHBondContact NH2-OG1 3.39Å
131C82Confident84.5Confident26 Ų2656.4 Ų56.418%0.17631%0.305CS..Hα-helixtrans-56.9-50.7174.9-66.80000111.9Y127 R128 A133 L134 G135 I136Y127-C131 PolarHBondContact O-N 3.47Å; Y127-C131 PolarHBondContact O-SG 3.07Å; R128-C131 PolarHBondContact O-N 3.18Å; C131-A133 PolarHBondContact O-N 3.46Å; C131-L134 PolarHBondContact O-N 3.2Å; C131-G135 PolarHBondContact O-N 3.03Å; C131-I136 CarbonylContact C-O 3.59Å; C131-I136 PolarHBondContact O-N 3.37Å
132R80.9Confident84.3Confident56 Ų5659.6 Ų59.621%0.21130%0.304CS..Hα-helixtrans-55.5-53.1177-174.8-171.470.4-164.7-4.5111.5R128 K129 R130 L134 G135 L149 S150 D157R128-R132 PolarHBondContact O-N 2.98Å; K129-R132 PolarHBondContact O-N 3.38Å; R130-R132 PolarHBondContact O-N 3.22Å; R132-L134 VanDerWaalsContact C-N 3.32Å; R132-L134 PolarHBondContact O-N 2.98Å; R132-G135 PolarHBondContact O-N 2.96Å; R132-L149 HydrophobicContact CB-CD1 4.37Å; R132-S150 PolarHBondContact NH1-O 3.48Å; R132-D157 IonicContact CZ-OD1 3.55Å; R132-D157 IonicContact NE-OD1 3.58Å; R132-D157 PolarHBondContact NE-OD1 2.71Å; R132-D157 VanDerWaalsContact NE-OD1 3.14Å; R132-D157 IonicContact NE-OD2 2.8Å; R132-D157 IonicContact NH2-OD1 3.83Å; R132-D157 PolarHBondContact NH2-OD1 3.06Å
133A77.4Confident84.2Confident5 Ų557.8 Ų57.84%0.04130%0.3CS..Hα-helixtrans-59.8-41.8-177.300000112.2K129 R130 C131 G135 D157 V160 K161K129-A133 WeakPolarHBondContact O-CB 3.32Å; K129-A133 PolarHBondContact O-N 3.21Å; R130-A133 PolarHBondContact O-N 2.92Å; C131-A133 PolarHBondContact O-N 3.46Å; A133-G135 PolarHBondContact O-N 2.74Å; A133-D157 WeakPolarHBondContact CA-OD2 3.24Å; A133-D157 HydrophobicContact CB-CB 3.81Å; A133-V160 HydrophobicContact CB-CB 4.14Å; A133-V160 HydrophobicContact CB-CG1 3.86Å; A133-K161 HydrophobicContact CB-CG 4.4Å; A133-K161 WeakPolarHBondContact O-CE 3.5Å; A133-K161 PolarHBondContact O-NZ 3.37Å
134L77.5Confident84.1Confident109 Ų10957.3 Ų57.357%0.57130%0.302SS*.THydrogen-bonded Turntrans-76.2-3.9178.8-65.2173.3000114R130 C131 R132 I136R130-L134 WeakPolarHBondContact O-CB 3.42Å; R130-L134 VanDerWaalsContact O-CG 3.3Å; R130-L134 WeakPolarHBondContact O-CG 3.49Å; R130-L134 PolarHBondContact O-N 2.93Å; C131-L134 PolarHBondContact O-N 3.2Å; R132-L134 VanDerWaalsContact C-N 3.32Å; R132-L134 PolarHBondContact O-N 2.98Å; L134-I136 HydrophobicContact CB-CD1 3.77Å; L134-I136 HydrophobicContact CB-CG1 3.86Å; L134-I136 HydrophobicContact CD1-CD1 4Å; L134-I136 PolarHBondContact O-N 3.47Å
135G76.3Confident84.2Confident67 Ų6764 Ų6469%0.69134%0.338SS*.THydrogen-bonded Turntrans69.716.8-174.800000113.8C131 R132 A133C131-G135 PolarHBondContact O-N 3.03Å; R132-G135 PolarHBondContact O-N 2.96Å; A133-G135 PolarHBondContact O-N 2.74Å
136I78.8Confident84.1Confident93 Ų9365.2 Ų65.248%0.47734%0.343SS..  trans-89.8137.3-177-63.4175.3000109.1C131 L134 D138C131-I136 CarbonylContact C-O 3.59Å; C131-I136 PolarHBondContact O-N 3.37Å; L134-I136 HydrophobicContact CB-CD1 3.77Å; L134-I136 HydrophobicContact CB-CG1 3.86Å; L134-I136 HydrophobicContact CD1-CD1 4Å; L134-I136 PolarHBondContact O-N 3.47Å; I136-D138 PolarHBondContact O-N 3.4Å
137P81.6Confident84.2Confident70 Ų7070.1 Ų70.146%0.45536%0.362SS..  trans-50.3123174-30.636.8000113.4K139P137-K139 VanDerWaalsContact C-N 3.27Å; P137-K139 PolarHBondContact O-N 2.86Å
138D85.9Confident84.1Confident31 Ų3174.5 Ų74.517%0.16639%0.393CS..  trans-68.581.5174.4-178.612.2000110.8R128 I136 I140 G141 R142R128-D138 IonicContact CZ-OD2 3.19Å; R128-D138 IonicContact NE-OD1 3.53Å; R128-D138 IonicContact NE-OD2 2.79Å; R128-D138 PolarHBondContact NE-OD2 3.2Å; R128-D138 IonicContact NH2-OD2 2.72Å; R128-D138 PolarHBondContact NH2-OD2 2.98Å; I136-D138 PolarHBondContact O-N 3.4Å; D138-I140 VanDerWaalsContact C-N 3.31Å; D138-I140 PolarHBondContact OD1-N 3.42Å; D138-G141 PolarHBondContact OD1-N 3.28Å; D138-R142 WeakPolarHBondContact O-CG 3.4Å; D138-R142 PolarHBondContact O-N 3.14Å
139K84.6Confident83.9Confident137 Ų13776 Ų7660%0.59640%0.401SS*.Hα-helixtrans-63.4-38.5175-70.7-173.9177.1-176.20111.5P137 R142 C143P137-K139 VanDerWaalsContact C-N 3.27Å; P137-K139 PolarHBondContact O-N 2.86Å; K139-R142 PolarHBondContact O-N 3.04Å; K139-C143 WeakPolarHBondContact O-CB 3.15Å; K139-C143 PolarHBondContact O-N 3.43Å; K139-C143 PolarHBondContact O-SG 3.18Å; K139-C143 VanDerWaalsContact O-SG 3.37Å
140I85.8Confident83.6Confident7 Ų777 Ų774%0.03642%0.417CS..Hα-helixtrans-57.5-55.3-179.2-59.1169.2000109.8L111 Y116 L124 R128 D138 R142 C143 L144L111-I140 HydrophobicContact CD2-CD1 3.58Å; L111-I140 HydrophobicContact CD2-CG1 4.06Å; Y116-I140 HydrophobicContact CD1-CG1 4.14Å; Y116-I140 HydrophobicContact CE1-CG1 4.21Å; Y116-I140 HydrophobicContact CG-CG2 4.48Å; L124-I140 HydrophobicContact CD2-CG2 3.76Å; R128-I140 HydrophobicContact CG-CB 3.97Å; R128-I140 HydrophobicContact CG-CD1 4.25Å; R128-I140 HydrophobicContact CG-CG2 3.83Å; D138-I140 VanDerWaalsContact C-N 3.31Å; D138-I140 PolarHBondContact OD1-N 3.42Å; I140-R142 VanDerWaalsContact C-N 3.3Å; I140-R142 PolarHBondContact O-N 3.07Å; I140-C143 PolarHBondContact O-N 2.99Å; I140-L144 HydrophobicContact CG2-CD1 4.17Å; I140-L144 WeakPolarHBondContact O-CB 3.24Å; I140-L144 PolarHBondContact O-N 2.94Å
141G86.7Confident83Confident2 Ų280.6 Ų80.62%0.02145%0.447CS..Hα-helixtrans-59.8-38179.700000112.9D138 N145 M146D138-G141 PolarHBondContact OD1-N 3.28Å; G141-N145 CarbonylContact O-C 3.47Å; G141-N145 PolarHBondContact O-N 3.13Å; G141-N145 VanDerWaalsContact O-N 3.12Å; G141-M146 PolarHBondContact O-N 3.13Å
142R86.1Confident82.3Confident169 Ų16981.3 Ų81.364%0.63845%0.454SS*.Hα-helixtrans-67.2-48.9175.7-66.9171.1-170.4176.60.9112.6D138 K139 I140 L144 N145D138-R142 WeakPolarHBondContact O-CG 3.4Å; D138-R142 PolarHBondContact O-N 3.14Å; K139-R142 PolarHBondContact O-N 3.04Å; I140-R142 VanDerWaalsContact C-N 3.3Å; I140-R142 PolarHBondContact O-N 3.07Å; R142-L144 PolarHBondContact O-N 2.79Å; R142-N145 PolarHBondContact O-N 3.43Å; R142-N145 PolarHBondContact O-OD1 3.16Å
143C88.4Confident81.8Confident85 Ų8582.1 Ų82.157%0.57447%0.468SS*.Hα-helixtrans-68.7-24.4-177.2-69.70000112.9Y116 K139 I140Y116-C143 HydrophobicContact CD2-CB 3.71Å; Y116-C143 HydrophobicContact CE2-CB 3.65Å; K139-C143 WeakPolarHBondContact O-CB 3.15Å; K139-C143 PolarHBondContact O-N 3.43Å; K139-C143 PolarHBondContact O-SG 3.18Å; K139-C143 VanDerWaalsContact O-SG 3.37Å; I140-C143 PolarHBondContact O-N 2.99Å
144L89.3Confident81.6Confident58 Ų5887.9 Ų87.930%0.30449%0.494SS..THydrogen-bonded Turntrans-100.59.6175.1-62.8-179.6000113.8L124 I140 R142 M146L124-L144 HydrophobicContact CD1-CD1 3.85Å; I140-L144 HydrophobicContact CG2-CD1 4.17Å; I140-L144 WeakPolarHBondContact O-CB 3.24Å; I140-L144 PolarHBondContact O-N 2.94Å; R142-L144 PolarHBondContact O-N 2.79Å; L144-M146 HydrophobicContact CB-CG 3.81Å; L144-M146 HydrophobicContact CB-SD 4.27Å; L144-M146 HydrophobicContact CD1-SD 4.32Å; L144-M146 PolarHBondContact O-N 2.99Å; L144-M146 VanDerWaalsContact O-N 3.12Å
145N89.1Confident81.6Confident153 Ų15389.4 Ų89.482%0.81850%0.498SS*.THydrogen-bonded Turntrans49.433.5-177.1-65.9-40.8000114.8G141 R142G141-N145 CarbonylContact O-C 3.47Å; G141-N145 PolarHBondContact O-N 3.13Å; G141-N145 VanDerWaalsContact O-N 3.12Å; R142-N145 PolarHBondContact O-N 3.43Å; R142-N145 PolarHBondContact O-OD1 3.16Å
146M88.4Confident81.7Confident88 Ų8889.5 Ų89.543%0.43348%0.483SS..PPolyproline II helixtrans-83148.4179.2-53.2-177.286.500111.6R128 G141 L144R128-M146 VanDerWaalsContact NH1-CB 3.34Å; G141-M146 PolarHBondContact O-N 3.13Å; L144-M146 HydrophobicContact CB-CG 3.81Å; L144-M146 HydrophobicContact CB-SD 4.27Å; L144-M146 HydrophobicContact CD1-SD 4.32Å; L144-M146 PolarHBondContact O-N 2.99Å; L144-M146 VanDerWaalsContact O-N 3.12Å
147E87.8Confident81.7Confident168 Ų16886 Ų8679%0.78547%0.465SS*.PPolyproline II helixtrans-55.8145.1171.5-64.5-166.8148.400112.1R128R128-E147 PolarHBondContact NH1-O 2.92Å; R128-E147 PolarHBondContact NH2-O 3.23Å
148P83.3Confident81.4Confident117 Ų11789.3 Ų89.376%0.7647%0.469SS*.PPolyproline II helixtrans-56141.4173.4-24.134.2000112.1
149L83.7Confident80.9Confident42 Ų4291 Ų9122%0.2248%0.48CS..PPolyproline II helixtrans-61.4141.5172-68.3-173.9000110.8L125 R128 K129 R132L125-L149 HydrophobicContact CD1-CD2 3.75Å; R128-L149 HydrophobicContact CB-CD1 3.73Å; R128-L149 HydrophobicContact CB-CG 4.24Å; R128-L149 WeakPolarHBondContact O-CD1 3.19Å; K129-L149 HydrophobicContact CG-CD1 4.06Å; R132-L149 HydrophobicContact CB-CD1 4.37Å
150S79.1Confident80.2Confident84 Ų8485.8 Ų85.859%0.58746%0.46SS*.PPolyproline II helixtrans-55.2150.1172.754.60000112R132R132-S150 PolarHBondContact NH1-O 3.48Å
151P70.1Confident79.3Confident126 Ų12690.9 Ų90.982%0.81848%0.482SS*.PPolyproline II helixtrans-57.4142.1173.524.6-34000110.5
152A67.6Low78.2Confident40 Ų4099 Ų9933%0.33152%0.517SS..PPolyproline II helixtrans-78.7148.8-17200000112.9D157A152-D157 HydrophobicContact CB-CB 4.2Å; A152-D157 WeakPolarHBondContact CB-OD1 3.3Å; A152-D157 VanDerWaalsContact CB-OD2 3.23Å; A152-D157 WeakPolarHBondContact CB-OD2 3.18Å
153S71.5Confident76.7Confident73 Ų7397.5 Ų97.551%0.5152%0.515SS..PPolyproline II helixtrans-66.5135.4143.8171.30000108.1E155 N156 D157S153-E155 PolarHBondContact O-N 3Å; S153-E155 PolarHBondContact OG-N 3.41Å; S153-N156 WeakPolarHBondContact O-CB 3.47Å; S153-N156 PolarHBondContact O-N 3.17Å; S153-D157 PolarHBondContact O-N 3.25Å
154E73Confident74.8Confident126 Ų12698.2 Ų98.259%0.58952%0.518SS*.Hα-helixtrans-58-32.3179.6-152.4-155.8147.500111.7N156 D157 R158E154-N156 PolarHBondContact O-N 3.18Å; E154-D157 PolarHBondContact O-N 2.98Å; E154-R158 VanDerWaalsContact CD-CZ 3.5Å; E154-R158 VanDerWaalsContact CD-NE 3.29Å; E154-R158 VanDerWaalsContact O-CB 3.26Å; E154-R158 WeakPolarHBondContact O-CB 3.32Å; E154-R158 WeakPolarHBondContact O-CD 3.15Å; E154-R158 WeakPolarHBondContact O-CG 3.31Å; E154-R158 PolarHBondContact O-N 3.47Å; E154-R158 IonicContact OE1-CZ 3.54Å; E154-R158 IonicContact OE1-NE 3.58Å; E154-R158 PolarHBondContact OE1-NE 2.66Å; E154-R158 IonicContact OE1-NH2 2.71Å; E154-R158 PolarHBondContact OE1-NH2 2.71Å; E154-R158 IonicContact OE2-CZ 3.53Å; E154-R158 IonicContact OE2-NE 3.56Å; E154-R158 IonicContact OE2-NH2 3.43Å; E154-R158 PolarHBondContact OE2-NH2 3.27Å
155E76.7Confident72.8Confident141 Ų14199.3 Ų99.366%0.65953%0.528SS*.Hα-helixtrans-63.2-37.7174.9-178.2172.4-141.600113.1S153 T159S153-E155 PolarHBondContact O-N 3Å; S153-E155 PolarHBondContact OG-N 3.41Å; E155-T159 WeakPolarHBondContact O-CB 3.43Å; E155-T159 PolarHBondContact O-N 2.8Å; E155-T159 PolarHBondContact O-OG1 2.69Å
156N78.5Confident70.3Confident69 Ų6997.3 Ų97.337%0.36952%0.521SS..Hα-helixtrans-66.9-49.4178.3-169.4-18.5000109.9S153 E154 R158 T159 V160S153-N156 WeakPolarHBondContact O-CB 3.47Å; S153-N156 PolarHBondContact O-N 3.17Å; E154-N156 PolarHBondContact O-N 3.18Å; N156-R158 PolarHBondContact O-N 3.33Å; N156-T159 WeakPolarHBondContact O-CB 3.17Å; N156-T159 PolarHBondContact O-N 3.39Å; N156-T159 VanDerWaalsContact O-N 3.1Å; N156-V160 WeakPolarHBondContact O-CG2 3.07Å; N156-V160 PolarHBondContact O-N 2.98Å
157D78.1Confident67.8Low20 Ų2098 Ų9811%0.10753%0.53CS..Hα-helixtrans-70.6-30.9178.5-78.18.5000112.6R132 A133 A152 S153 E154 T159 K161R132-D157 IonicContact CZ-OD1 3.55Å; R132-D157 IonicContact NE-OD1 3.58Å; R132-D157 PolarHBondContact NE-OD1 2.71Å; R132-D157 VanDerWaalsContact NE-OD1 3.14Å; R132-D157 IonicContact NE-OD2 2.8Å; R132-D157 IonicContact NH2-OD1 3.83Å; R132-D157 PolarHBondContact NH2-OD1 3.06Å; A133-D157 WeakPolarHBondContact CA-OD2 3.24Å; A133-D157 HydrophobicContact CB-CB 3.81Å; A152-D157 HydrophobicContact CB-CB 4.2Å; A152-D157 WeakPolarHBondContact CB-OD1 3.3Å; A152-D157 VanDerWaalsContact CB-OD2 3.23Å; A152-D157 WeakPolarHBondContact CB-OD2 3.18Å; S153-D157 PolarHBondContact O-N 3.25Å; E154-D157 PolarHBondContact O-N 2.98Å; D157-T159 VanDerWaalsContact C-N 3.34Å; D157-K161 VanDerWaalsContact O-CB 3.32Å; D157-K161 WeakPolarHBondContact O-CB 3.14Å; D157-K161 WeakPolarHBondContact O-CD 3.48Å; D157-K161 WeakPolarHBondContact O-CG 3.38Å; D157-K161 PolarHBondContact O-N 2.83Å
158R76Confident65.3Low139 Ų13998.6 Ų98.653%0.52553%0.533SS..Hα-helixtrans-61.7-39.9167.1-76.3168.1-178.2-171.15.2111.7E154 N156 K161 K162E154-R158 VanDerWaalsContact CD-CZ 3.5Å; E154-R158 VanDerWaalsContact CD-NE 3.29Å; E154-R158 VanDerWaalsContact O-CB 3.26Å; E154-R158 WeakPolarHBondContact O-CB 3.32Å; E154-R158 WeakPolarHBondContact O-CD 3.15Å; E154-R158 WeakPolarHBondContact O-CG 3.31Å; E154-R158 PolarHBondContact O-N 3.47Å; E154-R158 IonicContact OE1-CZ 3.54Å; E154-R158 IonicContact OE1-NE 3.58Å; E154-R158 PolarHBondContact OE1-NE 2.66Å; E154-R158 IonicContact OE1-NH2 2.71Å; E154-R158 PolarHBondContact OE1-NH2 2.71Å; E154-R158 IonicContact OE2-CZ 3.53Å; E154-R158 IonicContact OE2-NE 3.56Å; E154-R158 IonicContact OE2-NH2 3.43Å; E154-R158 PolarHBondContact OE2-NH2 3.27Å; N156-R158 PolarHBondContact O-N 3.33Å; R158-K161 PolarHBondContact O-N 3.1Å; R158-K162 WeakPolarHBondContact O-CG 3.37Å; R158-K162 PolarHBondContact O-N 3.45Å; R158-K162 VanDerWaalsContact O-N 3.14Å
159T74.9Confident62.6Low66 Ų6699.7 Ų99.741%0.40552%0.522SS..Hα-helixtrans-69.3-46.9178.2-590000110.9E155 N156 D157 K161 K162 F163E155-T159 WeakPolarHBondContact O-CB 3.43Å; E155-T159 PolarHBondContact O-N 2.8Å; E155-T159 PolarHBondContact O-OG1 2.69Å; N156-T159 WeakPolarHBondContact O-CB 3.17Å; N156-T159 PolarHBondContact O-N 3.39Å; N156-T159 VanDerWaalsContact O-N 3.1Å; D157-T159 VanDerWaalsContact C-N 3.34Å; T159-K161 VanDerWaalsContact C-N 3.27Å; T159-K161 PolarHBondContact O-N 2.69Å; T159-K162 WeakPolarHBondContact O-CB 3.35Å; T159-K162 PolarHBondContact O-N 2.71Å; T159-F163 HydrophobicContact CG2-CD2 4.36Å; T159-F163 HydrophobicContact CG2-CE2 3.98Å; T159-F163 VanDerWaalsContact O-CD2 3.3Å; T159-F163 WeakPolarHBondContact O-CD2 3.43Å; T159-F163 PolarHBondContact O-N 2.91Å
160V70Confident60.1Low28 Ų28100.4 Ų100.417%0.1753%0.53CS..Hα-helixtrans-58.5-38.3174.2174.20000111.6K129 R130 A133 N156 K162 F163K129-V160 HydrophobicContact CB-CG2 4.37Å; R130-V160 HydrophobicContact CB-CG1 4.26Å; R130-V160 HydrophobicContact CG-CG1 3.69Å; A133-V160 HydrophobicContact CB-CB 4.14Å; A133-V160 HydrophobicContact CB-CG1 3.86Å; N156-V160 WeakPolarHBondContact O-CG2 3.07Å; N156-V160 PolarHBondContact O-N 2.98Å; V160-K162 VanDerWaalsContact C-N 3.32Å; V160-K162 PolarHBondContact O-N 2.76Å; V160-F163 PolarHBondContact O-N 2.85Å
161K67.5Low57.6Low115 Ų115104.6 Ų104.650%0.555%0.546SS..Hα-helixtrans-66.9-24.9173.2-78.3166.2-179.5162.40114.7A133 D157 R158 T159 F163A133-K161 HydrophobicContact CB-CG 4.4Å; A133-K161 WeakPolarHBondContact O-CE 3.5Å; A133-K161 PolarHBondContact O-NZ 3.37Å; D157-K161 VanDerWaalsContact O-CB 3.32Å; D157-K161 WeakPolarHBondContact O-CB 3.14Å; D157-K161 WeakPolarHBondContact O-CD 3.48Å; D157-K161 WeakPolarHBondContact O-CG 3.38Å; D157-K161 PolarHBondContact O-N 2.83Å; R158-K161 PolarHBondContact O-N 3.1Å; T159-K161 VanDerWaalsContact C-N 3.27Å; T159-K161 PolarHBondContact O-N 2.69Å; K161-F163 VanDerWaalsContact C-N 3.29Å
162K63.5Low55.8Low172 Ų172101.3 Ų101.375%0.74852%0.524SS*.Hα-helixtrans-78.5-9.7174.9-78.7-179.9175.6-175.80113.6R158 T159 V160 P164R158-K162 WeakPolarHBondContact O-CG 3.37Å; R158-K162 PolarHBondContact O-N 3.45Å; R158-K162 VanDerWaalsContact O-N 3.14Å; T159-K162 WeakPolarHBondContact O-CB 3.35Å; T159-K162 PolarHBondContact O-N 2.71Å; V160-K162 VanDerWaalsContact C-N 3.32Å; V160-K162 PolarHBondContact O-N 2.76Å; K162-P164 WeakPolarHBondContact O-CD 3.47Å
163F55.3Low54.1Low138 Ų138108.7 Ų108.761%0.60555%0.548SS*.  trans-113.561.6173.8-64.5-73.9000113.1R130 T159 V160 K161 T165R130-F163 PolarHBondContact NH2-O 3.19Å; T159-F163 HydrophobicContact CG2-CD2 4.36Å; T159-F163 HydrophobicContact CG2-CE2 3.98Å; T159-F163 VanDerWaalsContact O-CD2 3.3Å; T159-F163 WeakPolarHBondContact O-CD2 3.43Å; T159-F163 PolarHBondContact O-N 2.91Å; V160-F163 PolarHBondContact O-N 2.85Å; K161-F163 VanDerWaalsContact C-N 3.29Å; F163-T165 PolarHBondContact O-N 2.82Å; F163-T165 VanDerWaalsContact O-N 3.08Å
164P47.6Very low52.3Low99 Ų99110.1 Ų110.164%0.64355%0.549SS*.  trans-78.884171.435.1-32.9000109.6K162 T166K162-P164 WeakPolarHBondContact O-CD 3.47Å; P164-T166 PolarHBondContact O-N 3.42Å
165T47Very low50.7Low81 Ų81111.8 Ų111.850%0.49755%0.55SS..  trans-73.839.9177-26.50000113E104 R130 F163E104-T165 VanDerWaalsContact OE2-CB 3.25Å; E104-T165 WeakPolarHBondContact OE2-CB 3.29Å; E104-T165 WeakPolarHBondContact OE2-CG2 3.42Å; R130-T165 PolarHBondContact NH2-OG1 3.39Å; F163-T165 PolarHBondContact O-N 2.82Å; F163-T165 VanDerWaalsContact O-N 3.08Å
166T37.6Very low49.1Very low111 Ų111113.2 Ų113.268%0.68155%0.554SS**SBendtrans-148.1111.9176.5-52.20000108.1P164 Q168P164-T166 PolarHBondContact O-N 3.42Å; T166-Q168 PolarHBondContact O-N 2.8Å
167V35.7Very low47.6Very low102 Ų102112.8 Ų112.862%0.61855%0.55SS*.  trans-58.9119.8175.5177.10000108.6R169V167-R169 PolarHBondContact O-N 3.34Å
168Q34.2Very low46.3Very low181 Ų181115.5 Ų115.585%0.84657%0.567SS**  trans-76.189.8-176.6-16617435.500109.4T166 S170T166-Q168 PolarHBondContact O-N 2.8Å; Q168-S170 VanDerWaalsContact C-N 3.32Å; Q168-S170 PolarHBondContact O-N 3.38Å
169R27.6Very low45Very low141 Ų141113.2 Ų113.253%0.53257%0.569SS.*  trans-58.489175.5-87.5-174.3163.4156.91.5111.2V167 N171 D203V167-R169 PolarHBondContact O-N 3.34Å; R169-N171 PolarHBondContact O-N 2.71Å; R169-D203 IonicContact CZ-OD2 2.64Å; R169-D203 IonicContact NH1-OD2 3.14Å; R169-D203 PolarHBondContact NH1-OD2 2.76Å; R169-D203 IonicContact NH2-OD1 2.69Å; R169-D203 PolarHBondContact NH2-OD1 2.87Å; R169-D203 IonicContact NH2-OD2 2.73Å; R169-D203 PolarHBondContact NH2-OD2 3.03Å
170S30.9Very low44.1Very low56 Ų56111.8 Ų111.839%0.39256%0.558SS.*  trans-80.2109.8175.356.50000110.1Q168 T172 P192Q168-S170 VanDerWaalsContact C-N 3.32Å; Q168-S170 PolarHBondContact O-N 3.38Å; S170-T172 PolarHBondContact O-N 2.8Å; S170-P192 WeakPolarHBondContact OG-CG 3.25Å
171N27.3Very low43.5Very low173 Ų173118.7 Ų118.793%0.92559%0.589SS**  trans-61.590.9170.8-75.8-55.6000111.1R169R169-N171 PolarHBondContact O-N 2.71Å
172T30.7Very low42.2Very low56 Ų56118.6 Ų118.634%0.34459%0.594SS.*  trans-98110.2174.647.20000111.3S170 I174 P192S170-T172 PolarHBondContact O-N 2.8Å; T172-I174 PolarHBondContact O-N 2.8Å; T172-P192 HydrophobicContact CG2-CB 4.1Å; T172-P192 HydrophobicContact CG2-CG 3.81Å
173K31.5Very low41.1Very low196 Ų196112.9 Ų112.985%0.85258%0.584SS**PPolyproline II helixtrans-59.9134.2163.7-67.5178.8176.7-179.50108.9R175K173-R175 PolarHBondContact O-N 2.8Å
174I33.8Very low40.3Very low103 Ų103107.2 Ų107.253%0.52857%0.565SS.*PPolyproline II helixtrans-51.9125.2175.4-61172.2000109T172 I187 F532T172-I174 PolarHBondContact O-N 2.8Å; I174-I187 HydrophobicContact CG2-CG2 4.4Å; I174-F532 HydrophobicContact CD1-CD2 3.92Å; I174-F532 HydrophobicContact CD1-CE2 3.76Å
175R39.3Very low40.1Very low160 Ų160105.1 Ų105.160%0.60455%0.547SS*.PPolyproline II helixtrans-81.9154.8179.4-132.4179.5-170.3172.713.4110.4K173 E177 E190K173-R175 PolarHBondContact O-N 2.8Å; R175-E177 PolarHBondContact O-N 2.85Å; R175-E190 WeakPolarHBondContact CD-OE1 3.37Å; R175-E190 IonicContact CZ-OE1 2.63Å; R175-E190 VanDerWaalsContact CZ-OE1 3.29Å; R175-E190 IonicContact NE-OE1 3.22Å; R175-E190 IonicContact NH1-OE1 3.67Å; R175-E190 PolarHBondContact NH1-OE1 2.9Å
176K44Very low40.1Very low171 Ų171105.2 Ų105.274%0.74354%0.539SS*.PPolyproline II helixtrans-62.3136.7-173.7-162.5177.5-175.7-174.50111.3P188K176-P188 WeakPolarHBondContact O-CD 3.39Å; K176-P188 WeakPolarHBondContact O-CG 3.33Å
177E47.2Very low40.5Very low61 Ų61102.4 Ų102.429%0.28552%0.519SS..PPolyproline II helixtrans-51.9154.3172.671.4-152145.500113.8R175 I185 W186 N534R175-E177 PolarHBondContact O-N 2.85Å; E177-I185 HydrophobicContact CB-CG2 4.02Å; E177-W186 WeakPolarHBondContact CA-O 3.47Å; E177-N534 PolarHBondContact OE1-ND2 2.95Å; E177-N534 VanDerWaalsContact OE2-CB 3.32Å; E177-N534 WeakPolarHBondContact OE2-CB 3.36Å; E177-N534 PolarHBondContact OE2-ND2 3.34Å
178T49.9Very low40.9Very low77 Ų7799.7 Ų99.747%0.47250%0.503SS..EExtended strand (participates in β ladder)trans-129.6119.7175.149.20000108.6W186 P188T178-W186 PolarHBondContact N-O 2.68Å; T178-W186 WeakPolarHBondContact O-CA 3.09Å; T178-W186 WeakPolarHBondContact O-CB 3.35Å; T178-W186 PolarHBondContact O-N 3.42Å; T178-W186 PolarHBondContact OG1-O 3.02Å; T178-P188 HydrophobicContact CG2-CG 3.91Å
179V48.5Very low41.1Very low91 Ų9194.6 Ų94.655%0.55248%0.484SS*.EExtended strand (participates in β ladder)trans-91.1135.2178.9-169.80000109.2G184 I185V179-G184 CarbonylContact C-O 3.56Å; V179-G184 WeakPolarHBondContact CA-O 3.41Å; V179-I185 HydrophobicContact CG2-CG1 4.36Å
180D56.2Low41.8Very low35 Ų3591.5 Ų91.519%0.18748%0.476CS..  trans-80.3171.3174.270.734.7000113N182 G183 G184 W186 R489D180-N182 PolarHBondContact O-N 3.24Å; D180-N182 VanDerWaalsContact O-N 3.09Å; D180-N182 VanDerWaalsContact OD1-CA 3.3Å; D180-N182 WeakPolarHBondContact OD1-CA 3.44Å; D180-N182 WeakPolarHBondContact OD1-CB 3.37Å; D180-N182 PolarHBondContact OD1-N 2.69Å; D180-G183 PolarHBondContact O-N 3.1Å; D180-G183 PolarHBondContact OD1-N 3.01Å; D180-G183 VanDerWaalsContact OD1-N 3.15Å; D180-G184 PolarHBondContact N-O 3.4Å; D180-G184 PolarHBondContact OD1-N 3Å; D180-W186 PolarHBondContact OD2-NE1 3.18Å; D180-R489 IonicContact OD2-NH2 3.27Å
181Q58Low42.3Very low173 Ų17392.8 Ų92.881%0.80848%0.482SS*.THydrogen-bonded Turntrans-60.6-14.317959.9-179.815.600114.8
182N41.2Very low42.9Very low113 Ų11386 Ų8660%0.60445%0.447SS*.THydrogen-bonded Turntrans-102.75.2177.8-65.810.6000112.2D180D180-N182 PolarHBondContact O-N 3.24Å; D180-N182 VanDerWaalsContact O-N 3.09Å; D180-N182 VanDerWaalsContact OD1-CA 3.3Å; D180-N182 WeakPolarHBondContact OD1-CA 3.44Å; D180-N182 WeakPolarHBondContact OD1-CB 3.37Å; D180-N182 PolarHBondContact OD1-N 2.69Å
183G40.6Very low43.1Very low52 Ų5286.9 Ų86.954%0.53645%0.446SS..SBendtrans84.25.5-176.800000114.6D180 I185D180-G183 PolarHBondContact O-N 3.1Å; D180-G183 PolarHBondContact OD1-N 3.01Å; D180-G183 VanDerWaalsContact OD1-N 3.15Å; G183-I185 PolarHBondContact O-N 3Å
184G37.1Very low43.5Very low20 Ų2080.7 Ų80.721%0.20642%0.422CS..  trans-69.9118.4175.600000111.2V179 D180 W186V179-G184 CarbonylContact C-O 3.56Å; V179-G184 WeakPolarHBondContact CA-O 3.41Å; D180-G184 PolarHBondContact N-O 3.4Å; D180-G184 PolarHBondContact OD1-N 3Å; G184-W186 PolarHBondContact O-N 2.89Å
185I44.3Very low43.7Very low54 Ų5482.8 Ų82.828%0.27742%0.424SS..EExtended strand (participates in β ladder)trans-76.3118.8174.3-53.5177.4000108.8E177 V179 G183 N534E177-I185 HydrophobicContact CB-CG2 4.02Å; V179-I185 HydrophobicContact CG2-CG1 4.36Å; G183-I185 PolarHBondContact O-N 3Å; I185-N534 WeakPolarHBondContact CD1-O 3.23Å
186W45.6Very low43.7Very low84 Ų8478.4 Ų78.432%0.31841%0.41SS..EExtended strand (participates in β ladder)trans-106.4134.5169.3-57.680.2000109.6E177 T178 D180 G184 R489E177-W186 WeakPolarHBondContact CA-O 3.47Å; T178-W186 PolarHBondContact N-O 2.68Å; T178-W186 WeakPolarHBondContact O-CA 3.09Å; T178-W186 WeakPolarHBondContact O-CB 3.35Å; T178-W186 PolarHBondContact O-N 3.42Å; T178-W186 PolarHBondContact OG1-O 3.02Å; D180-W186 PolarHBondContact OD2-NE1 3.18Å; G184-W186 PolarHBondContact O-N 2.89Å; W186-R489 VanDerWaalsContact CZ2-CZ 3.44Å
187I47.7Very low43.4Very low51 Ų5172.1 Ų72.126%0.26239%0.385SS..  trans-93.1120.5167.1-58.4173.8000106.3I174 V189I174-I187 HydrophobicContact CG2-CG2 4.4Å; I187-V189 WeakPolarHBondContact O-CG2 3.2Å; I187-V189 PolarHBondContact O-N 3.2Å
188P42.9Very low42.9Very low45 Ų4572.8 Ų72.829%0.29239%0.387SS..  trans-6499.8174.6-23.134.7000109.8K176 T178 E190K176-P188 WeakPolarHBondContact O-CD 3.39Å; K176-P188 WeakPolarHBondContact O-CG 3.33Å; T178-P188 HydrophobicContact CG2-CG 3.91Å; P188-E190 VanDerWaalsContact C-N 3.28Å; P188-E190 PolarHBondContact O-N 3.26Å
189V39.6Very low42.3Very low74 Ų7472.7 Ų72.745%0.44838%0.381SS..  trans-7980.9-174.8-153.60000109.4I187 T191 F193 I194I187-V189 WeakPolarHBondContact O-CG2 3.2Å; I187-V189 PolarHBondContact O-N 3.2Å; V189-T191 PolarHBondContact O-N 3.23Å; V189-F193 HydrophobicContact CG1-CD1 4.27Å; V189-I194 HydrophobicContact CB-CD1 4.08Å; V189-I194 HydrophobicContact CG1-CB 3.71Å; V189-I194 HydrophobicContact CG1-CD1 3.85Å; V189-I194 HydrophobicContact CG1-CG1 3.74Å
190E41.8Very low41.6Very low77 Ų7772.2 Ų72.236%0.3637%0.372SS..  trans-57137.7170.7-70.7-166.6150.700109.4R175 P188 P192 F193R175-E190 WeakPolarHBondContact CD-OE1 3.37Å; R175-E190 IonicContact CZ-OE1 2.63Å; R175-E190 VanDerWaalsContact CZ-OE1 3.29Å; R175-E190 IonicContact NE-OE1 3.22Å; R175-E190 IonicContact NH1-OE1 3.67Å; R175-E190 PolarHBondContact NH1-OE1 2.9Å; P188-E190 VanDerWaalsContact C-N 3.28Å; P188-E190 PolarHBondContact O-N 3.26Å; E190-P192 VanDerWaalsContact C-N 3.29Å; E190-P192 WeakPolarHBondContact O-CD 3.28Å; E190-F193 PolarHBondContact O-N 3.28Å
191T41.9Very low40.7Very low83 Ų8373 Ų7351%0.50937%0.373SS..Hα-helixtrans-48.4-38.2-163.622.60000115.4V189 F193 I194 Y195V189-T191 PolarHBondContact O-N 3.23Å; T191-F193 PolarHBondContact O-N 2.92Å; T191-I194 PolarHBondContact O-N 3.04Å; T191-Y195 HydrophobicContact CG2-CD2 4.39Å; T191-Y195 HydrophobicContact CG2-CE2 3.69Å; T191-Y195 WeakPolarHBondContact O-CB 3.34Å; T191-Y195 WeakPolarHBondContact O-CD2 3.47Å; T191-Y195 PolarHBondContact O-N 2.78Å
192P39.4Very low39.5Very low29 Ų2967.1 Ų67.119%0.18835%0.35CS..Hα-helixtrans-54.1-48.2176.7-30.339.7000113.4S170 T172 E190 I194 Y195 E196S170-P192 WeakPolarHBondContact OG-CG 3.25Å; T172-P192 HydrophobicContact CG2-CB 4.1Å; T172-P192 HydrophobicContact CG2-CG 3.81Å; E190-P192 VanDerWaalsContact C-N 3.29Å; E190-P192 WeakPolarHBondContact O-CD 3.28Å; P192-I194 PolarHBondContact O-N 3.13Å; P192-Y195 CarbonylContact O-C 3.57Å; P192-Y195 PolarHBondContact O-N 3.45Å; P192-Y195 VanDerWaalsContact O-N 3.15Å; P192-E196 WeakPolarHBondContact O-CG 3.43Å; P192-E196 PolarHBondContact O-N 3.39Å
193F34.9Very low39.1Very low75 Ų7566.1 Ų66.133%0.32935%0.345SS..Hα-helixtrans-69.8-33.9-175.7-169.3-108.7000113.1V189 E190 T191 E196 L197V189-F193 HydrophobicContact CG1-CD1 4.27Å; E190-F193 PolarHBondContact O-N 3.28Å; T191-F193 PolarHBondContact O-N 2.92Å; F193-E196 PolarHBondContact O-N 2.73Å; F193-L197 HydrophobicContact CD1-CD1 3.83Å; F193-L197 HydrophobicContact CE1-CD1 3.37Å; F193-L197 HydrophobicContact CE2-CD1 4.28Å; F193-L197 HydrophobicContact CG-CD1 4.46Å; F193-L197 HydrophobicContact CZ-CD1 3.63Å; F193-L197 PolarHBondContact O-N 3.3Å
194I39.4Very low39Very low67 Ų6770.1 Ų70.134%0.34435%0.345SS..Hα-helixtrans-67.9-41.5171.4-129166000110.1V189 T191 P192 E196 L197 F198V189-I194 HydrophobicContact CB-CD1 4.08Å; V189-I194 HydrophobicContact CG1-CB 3.71Å; V189-I194 HydrophobicContact CG1-CD1 3.85Å; V189-I194 HydrophobicContact CG1-CG1 3.74Å; T191-I194 PolarHBondContact O-N 3.04Å; P192-I194 PolarHBondContact O-N 3.13Å; I194-E196 PolarHBondContact O-N 2.91Å; I194-L197 PolarHBondContact O-N 3.05Å; I194-F198 HydrophobicContact CG1-CD2 3.92Å; I194-F198 HydrophobicContact CG1-CE2 3.86Å; I194-F198 WeakPolarHBondContact O-CB 3.3Å; I194-F198 VanDerWaalsContact O-CD2 3.29Å; I194-F198 WeakPolarHBondContact O-CD2 3.34Å; I194-F198 PolarHBondContact O-N 3.18Å
195Y37.7Very low39Very low146 Ų14672.3 Ų72.357%0.57335%0.351SS*.Hα-helixtrans-62.5-44.1173.2-67.1-49.2000110.6T191 P192 L197 F198 E199T191-Y195 HydrophobicContact CG2-CD2 4.39Å; T191-Y195 HydrophobicContact CG2-CE2 3.69Å; T191-Y195 WeakPolarHBondContact O-CB 3.34Å; T191-Y195 WeakPolarHBondContact O-CD2 3.47Å; T191-Y195 PolarHBondContact O-N 2.78Å; P192-Y195 CarbonylContact O-C 3.57Å; P192-Y195 PolarHBondContact O-N 3.45Å; P192-Y195 VanDerWaalsContact O-N 3.15Å; Y195-L197 PolarHBondContact O-N 3.06Å; Y195-F198 PolarHBondContact O-N 2.95Å; Y195-E199 WeakPolarHBondContact O-CA 3.45Å; Y195-E199 WeakPolarHBondContact O-CB 3.48Å; Y195-E199 PolarHBondContact O-N 3.2Å
196E40.1Very low38.8Very low69 Ų6972 Ų7232%0.32235%0.348SS..Hα-helixtrans-60.2-19.5177.7-47.2-138.7139.700114.7P192 F193 I194 R201P192-E196 WeakPolarHBondContact O-CG 3.43Å; P192-E196 PolarHBondContact O-N 3.39Å; F193-E196 PolarHBondContact O-N 2.73Å; I194-E196 PolarHBondContact O-N 2.91Å; E196-R201 IonicContact OE1-CZ 3.94Å; E196-R201 VanDerWaalsContact OE1-CZ 3.22Å; E196-R201 IonicContact OE1-NH1 2.77Å; E196-R201 PolarHBondContact OE1-NH1 3.45Å; E196-R201 IonicContact OE1-NH2 3.02Å; E196-R201 PolarHBondContact OE1-NH2 3.25Å; E196-R201 IonicContact OE2-CZ 3.43Å; E196-R201 IonicContact OE2-NH1 2.89Å; E196-R201 PolarHBondContact OE2-NH1 2.81Å; E196-R201 IonicContact OE2-NH2 3.16Å
197L37.5Very low38.5Very low39 Ų3972.8 Ų72.820%0.20436%0.355CS..Hα-helixtrans-99.3-27.3179.2-99.3146000114.3F193 I194 Y195 I478 R479 L482F193-L197 HydrophobicContact CD1-CD1 3.83Å; F193-L197 HydrophobicContact CE1-CD1 3.37Å; F193-L197 HydrophobicContact CE2-CD1 4.28Å; F193-L197 HydrophobicContact CG-CD1 4.46Å; F193-L197 HydrophobicContact CZ-CD1 3.63Å; F193-L197 PolarHBondContact O-N 3.3Å; I194-L197 PolarHBondContact O-N 3.05Å; Y195-L197 PolarHBondContact O-N 3.06Å; L197-I478 HydrophobicContact CD2-CG2 4.11Å; L197-R479 HydrophobicContact CD2-CB 4.44Å; L197-R479 WeakPolarHBondContact O-CD 3.39Å; L197-R479 WeakPolarHBondContact O-CG 2.87Å; L197-L482 HydrophobicContact CD2-CD1 4.28Å
198F36.7Very low38.4Very low74 Ų7472.2 Ų72.233%0.32536%0.356SS..Hα-helixtrans-103.7-20.9180-75.3-98.6000113I194 Y195 E200 R479 L483I194-F198 HydrophobicContact CG1-CD2 3.92Å; I194-F198 HydrophobicContact CG1-CE2 3.86Å; I194-F198 WeakPolarHBondContact O-CB 3.3Å; I194-F198 VanDerWaalsContact O-CD2 3.29Å; I194-F198 WeakPolarHBondContact O-CD2 3.34Å; I194-F198 PolarHBondContact O-N 3.18Å; Y195-F198 PolarHBondContact O-N 2.95Å; F198-E200 PolarHBondContact O-N 2.6Å; F198-R479 HydrophobicContact CD1-CG 4.22Å; F198-R479 HydrophobicContact CE1-CG 4.18Å; F198-R479 HydrophobicContact CG-CG 4.44Å; F198-R479 HydrophobicContact CZ-CG 4.35Å; F198-L483 HydrophobicContact CE1-CB 4.29Å; F198-L483 HydrophobicContact CE1-CD1 4.08Å; F198-L483 HydrophobicContact CE1-CD2 4.16Å; F198-L483 HydrophobicContact CE1-CG 4.4Å; F198-L483 HydrophobicContact CZ-CB 4.27Å; F198-L483 HydrophobicContact CZ-CD1 4.38Å
199E37.1Very low38.4Very low75 Ų7572.2 Ų72.235%0.3536%0.357SS..SBendtrans-65.5118.3163.9-177.3176.5-115.500108.5Y195 R201Y195-E199 WeakPolarHBondContact O-CA 3.45Å; Y195-E199 WeakPolarHBondContact O-CB 3.48Å; Y195-E199 PolarHBondContact O-N 3.2Å; E199-R201 HydrophobicContact CB-CG 4.23Å; E199-R201 HydrophobicContact CG-CG 3.85Å; E199-R201 PolarHBondContact O-N 2.88Å; E199-R201 WeakPolarHBondContact OE2-CG 3.01Å; E199-R201 IonicContact OE2-CZ 2.75Å; E199-R201 IonicContact OE2-NE 2.65Å; E199-R201 PolarHBondContact OE2-NE 3.26Å; E199-R201 IonicContact OE2-NH2 3.22Å; E199-R201 PolarHBondContact OE2-NH2 3.44Å
200E34.5Very low38.7Very low81 Ų8171 Ų7138%0.37935%0.348SS..  trans-67.985.7166-74.6-161.2137.600109.2F198 C202 N212 R476F198-E200 PolarHBondContact O-N 2.6Å; E200-C202 PolarHBondContact O-N 2.93Å; E200-N212 PolarHBondContact OE1-ND2 2.65Å; E200-N212 PolarHBondContact OE2-ND2 3.41Å; E200-R476 IonicContact OE1-CZ 3.31Å; E200-R476 IonicContact OE1-NH2 3.56Å; E200-R476 PolarHBondContact OE1-NH2 3.37Å
201R36.3Very low39Very low53 Ų5368.5 Ų68.520%0.234%0.341CS..  trans-66.977.2179.3-73.8-172.6152.8-168.2-3.2112.1E196 E199 D203E196-R201 IonicContact OE1-CZ 3.94Å; E196-R201 VanDerWaalsContact OE1-CZ 3.22Å; E196-R201 IonicContact OE1-NH1 2.77Å; E196-R201 PolarHBondContact OE1-NH1 3.45Å; E196-R201 IonicContact OE1-NH2 3.02Å; E196-R201 PolarHBondContact OE1-NH2 3.25Å; E196-R201 IonicContact OE2-CZ 3.43Å; E196-R201 IonicContact OE2-NH1 2.89Å; E196-R201 PolarHBondContact OE2-NH1 2.81Å; E196-R201 IonicContact OE2-NH2 3.16Å; E199-R201 HydrophobicContact CB-CG 4.23Å; E199-R201 HydrophobicContact CG-CG 3.85Å; E199-R201 PolarHBondContact O-N 2.88Å; E199-R201 WeakPolarHBondContact OE2-CG 3.01Å; E199-R201 IonicContact OE2-CZ 2.75Å; E199-R201 IonicContact OE2-NE 2.65Å; E199-R201 PolarHBondContact OE2-NE 3.26Å; E199-R201 IonicContact OE2-NH2 3.22Å; E199-R201 PolarHBondContact OE2-NH2 3.44Å; R201-D203 PolarHBondContact O-N 3.14Å
202C32.8Very low39.1Very low48 Ų4865.3 Ų65.332%0.32432%0.321SS..  trans-71.250.9169.4-67.60000112.2E200 Y204 S208E200-C202 PolarHBondContact O-N 2.93Å; C202-Y204 PolarHBondContact O-N 3.38Å; C202-S208 PolarHBondContact SG-OG 3.33Å; C202-S208 VanDerWaalsContact SG-OG 3.41Å
203D32.4Very low39.6Very low92 Ų9267.3 Ų67.349%0.49233%0.327SS..  trans-65.799.8161.1-84.91.2000107.3R169 R201 R468R169-D203 IonicContact CZ-OD2 2.64Å; R169-D203 IonicContact NH1-OD2 3.14Å; R169-D203 PolarHBondContact NH1-OD2 2.76Å; R169-D203 IonicContact NH2-OD1 2.69Å; R169-D203 PolarHBondContact NH2-OD1 2.87Å; R169-D203 IonicContact NH2-OD2 2.73Å; R169-D203 PolarHBondContact NH2-OD2 3.03Å; R201-D203 PolarHBondContact O-N 3.14Å; D203-R468 PolarHBondContact O-NH1 3.49Å
204Y38.4Very low40.5Very low137 Ų13768.1 Ų68.154%0.53733%0.333SS..SBendtrans80.2114.2-175.9-144.7-106.7000113.1C202 R468C202-Y204 PolarHBondContact O-N 3.38Å; Y204-R468 VanDerWaalsContact CB-NH1 3.34Å; Y204-R468 VanDerWaalsContact CB-NH2 3.28Å; Y204-R468 VanDerWaalsContact CG-NH2 3.3Å
205I38.6Very low41.1Very low66 Ų6671 Ų7134%0.33834%0.34SS..  cis-133.5160.3-9.8-60.4178.5000107.3E207 S208I205-E207 PolarHBondContact O-N 2.96Å; I205-S208 PolarHBondContact O-N 2.71Å
206Q40.1Very low41.7Very low46 Ų4666.1 Ų66.122%0.21533%0.33CS..THydrogen-bonded Turntrans-12.8-33.4168-137.6136.775.200119.9E105 S209E105-Q206 PolarHBondContact OE2-NE2 3.1Å; Q206-S209 PolarHBondContact O-OG 3.1Å
207E38.2Very low42.1Very low101 Ų10165.1 Ų65.147%0.47233%0.325SS..Hα-helixtrans-84.3-13.9-178.9-59.4168.6124.200113.7I205 L210 A211 N461I205-E207 PolarHBondContact O-N 2.96Å; E207-L210 WeakPolarHBondContact O-CB 3.47Å; E207-A211 WeakPolarHBondContact O-CB 3.35Å; E207-A211 PolarHBondContact O-N 3.2Å; E207-N461 PolarHBondContact OE2-ND2 3.01Å
208S45.5Very low42.8Very low40 Ų4065.1 Ų65.128%0.2833%0.331SS..Hα-helixtrans-76.8-41.4179.8-172.20000112.6C202 I205 L210 A211 N212C202-S208 PolarHBondContact SG-OG 3.33Å; C202-S208 VanDerWaalsContact SG-OG 3.41Å; I205-S208 PolarHBondContact O-N 2.71Å; S208-L210 VanDerWaalsContact C-N 3.3Å; S208-L210 PolarHBondContact O-N 3.46Å; S208-A211 PolarHBondContact O-N 3.46Å; S208-A211 VanDerWaalsContact O-N 3.15Å; S208-N212 WeakPolarHBondContact O-CB 3.08Å; S208-N212 PolarHBondContact O-N 3.25Å
209S43.2Very low43.7Very low45 Ų4565.5 Ų65.532%0.31534%0.335SS..Hα-helixtrans-66.5-34.9172.859.90000111.2Q206 F213Q206-S209 PolarHBondContact O-OG 3.1Å; S209-F213 WeakPolarHBondContact O-CB 3.3Å; S209-F213 PolarHBondContact O-N 2.75Å
210L45.7Very low44.3Very low47 Ų4765.1 Ų65.125%0.24634%0.335CS..Hα-helixtrans-54.5-61.1163.8177.186.8000109.5R94 L98 E207 S208 N212 F213 I214R94-L210 VanDerWaalsContact NH2-C 3.34Å; R94-L210 PolarHBondContact NH2-O 3.33Å; L98-L210 HydrophobicContact CD1-CB 3.78Å; L98-L210 HydrophobicContact CD1-CD1 3.28Å; L98-L210 HydrophobicContact CD1-CG 4.08Å; E207-L210 WeakPolarHBondContact O-CB 3.47Å; S208-L210 VanDerWaalsContact C-N 3.3Å; S208-L210 PolarHBondContact O-N 3.46Å; L210-N212 PolarHBondContact O-N 3.26Å; L210-F213 CarbonylContact O-C 3.51Å; L210-F213 WeakPolarHBondContact O-CA 3.3Å; L210-F213 WeakPolarHBondContact O-CB 3.35Å; L210-F213 PolarHBondContact O-N 3.37Å; L210-F213 VanDerWaalsContact O-N 3.08Å; L210-I214 PolarHBondContact O-N 3.25Å
211A48.6Very low44.9Very low26 Ų2663 Ų6322%0.21533%0.329CS..Hα-helixtrans-59.6-39.8-176.200000114.1E207 S208 I214 R215E207-A211 WeakPolarHBondContact O-CB 3.35Å; E207-A211 PolarHBondContact O-N 3.2Å; S208-A211 PolarHBondContact O-N 3.46Å; S208-A211 VanDerWaalsContact O-N 3.15Å; A211-I214 PolarHBondContact O-N 3.38Å; A211-R215 WeakPolarHBondContact O-CG 3.12Å; A211-R215 PolarHBondContact O-N 2.8Å
212N44.7Very low45.6Very low16 Ų1667 Ų679%0.08635%0.35CS..Hα-helixtrans-70.8-32.6174.7-73.9-10.7000112.3E200 S208 L210 R215 A216 R476E200-N212 PolarHBondContact OE1-ND2 2.65Å; E200-N212 PolarHBondContact OE2-ND2 3.41Å; S208-N212 WeakPolarHBondContact O-CB 3.08Å; S208-N212 PolarHBondContact O-N 3.25Å; L210-N212 PolarHBondContact O-N 3.26Å; N212-R215 PolarHBondContact O-N 2.87Å; N212-R215 VanDerWaalsContact OD1-CZ 3.25Å; N212-R215 PolarHBondContact OD1-NE 3.43Å; N212-R215 PolarHBondContact OD1-NH2 3.06Å; N212-A216 WeakPolarHBondContact O-CB 3.36Å; N212-A216 PolarHBondContact O-N 2.91Å; N212-R476 PolarHBondContact ND2-NH2 2.98Å
213F48.6Very low46.3Very low71 Ų7174.9 Ų74.931%0.31137%0.373SS..Hα-helixtrans-66-37.2167.1-171.3-75.8000111.8R94 S209 L210 A216 Q217R94-F213 HydrophobicContact CB-CE1 4.17Å; R94-F213 HydrophobicContact CB-CZ 4.11Å; R94-F213 VanDerWaalsContact CD-CD1 3.46Å; R94-F213 VanDerWaalsContact CD-CE1 3.44Å; R94-F213 HydrophobicContact CG-CD1 3.96Å; R94-F213 HydrophobicContact CG-CD2 4.49Å; R94-F213 HydrophobicContact CG-CE1 3.85Å; R94-F213 HydrophobicContact CG-CE2 4.41Å; R94-F213 HydrophobicContact CG-CG 4.26Å; R94-F213 HydrophobicContact CG-CZ 4.07Å; S209-F213 WeakPolarHBondContact O-CB 3.3Å; S209-F213 PolarHBondContact O-N 2.75Å; L210-F213 CarbonylContact O-C 3.51Å; L210-F213 WeakPolarHBondContact O-CA 3.3Å; L210-F213 WeakPolarHBondContact O-CB 3.35Å; L210-F213 PolarHBondContact O-N 3.37Å; L210-F213 VanDerWaalsContact O-N 3.08Å; F213-A216 PolarHBondContact O-N 2.94Å; F213-Q217 HydrophobicContact CE1-CG 4.13Å; F213-Q217 VanDerWaalsContact CE1-NE2 3.26Å; F213-Q217 VanDerWaalsContact CZ-NE2 3.28Å; F213-Q217 WeakPolarHBondContact O-CB 3.29Å; F213-Q217 PolarHBondContact O-N 3.49Å
214I54.8Low47Very low92 Ų9273.2 Ų73.247%0.47236%0.364SS..Hα-helixtrans-59.9-50.3171.1-53-173.8000109.1L210 A211 A216 Q217 A218L210-I214 PolarHBondContact O-N 3.25Å; A211-I214 PolarHBondContact O-N 3.38Å; I214-A216 VanDerWaalsContact C-N 3.31Å; I214-A216 PolarHBondContact O-N 3.49Å; I214-Q217 PolarHBondContact O-N 3.41Å; I214-A218 VanDerWaalsContact O-CB 3.22Å; I214-A218 WeakPolarHBondContact O-CB 3.39Å; I214-A218 PolarHBondContact O-N 2.75Å
215R52.3Low46.9Very low126 Ų12669.7 Ų69.748%0.47537%0.369SS..Hα-helixtrans-59.6-41.3-179.5-73-178-85.3-104.35.6111.7A211 N212 A218 I219A211-R215 WeakPolarHBondContact O-CG 3.12Å; A211-R215 PolarHBondContact O-N 2.8Å; N212-R215 PolarHBondContact O-N 2.87Å; N212-R215 VanDerWaalsContact OD1-CZ 3.25Å; N212-R215 PolarHBondContact OD1-NE 3.43Å; N212-R215 PolarHBondContact OD1-NH2 3.06Å; R215-A218 PolarHBondContact O-N 3Å; R215-I219 VanDerWaalsContact O-CB 3.32Å; R215-I219 WeakPolarHBondContact O-CB 3.45Å; R215-I219 WeakPolarHBondContact O-CD1 3.32Å; R215-I219 WeakPolarHBondContact O-CG1 3.32Å; R215-I219 PolarHBondContact O-N 3.04Å
216A48.7Very low47.3Very low45 Ų4570.4 Ų70.437%0.37237%0.37SS..Hα-helixtrans-63.8-48.4173.300000112N212 F213 I214 A218 I219 I220N212-A216 WeakPolarHBondContact O-CB 3.36Å; N212-A216 PolarHBondContact O-N 2.91Å; F213-A216 PolarHBondContact O-N 2.94Å; I214-A216 VanDerWaalsContact C-N 3.31Å; I214-A216 PolarHBondContact O-N 3.49Å; A216-A218 VanDerWaalsContact C-N 3.29Å; A216-A218 PolarHBondContact O-N 3.2Å; A216-I219 PolarHBondContact O-N 2.91Å; A216-I220 VanDerWaalsContact O-CB 3.28Å; A216-I220 WeakPolarHBondContact O-CB 3.17Å; A216-I220 WeakPolarHBondContact O-CD1 3.48Å; A216-I220 WeakPolarHBondContact O-CG1 3.35Å; A216-I220 PolarHBondContact O-N 2.73Å
217Q49.6Very low47.1Very low47 Ų4778 Ų7822%0.2241%0.406CS..Hα-helixtrans-61.8-35.6176.5-120.169.4-12.900112.6F213 I214 S221F213-Q217 HydrophobicContact CE1-CG 4.13Å; F213-Q217 VanDerWaalsContact CE1-NE2 3.26Å; F213-Q217 VanDerWaalsContact CZ-NE2 3.28Å; F213-Q217 WeakPolarHBondContact O-CB 3.29Å; F213-Q217 PolarHBondContact O-N 3.49Å; I214-Q217 PolarHBondContact O-N 3.41Å; Q217-S221 VanDerWaalsContact O-CB 3.32Å; Q217-S221 WeakPolarHBondContact O-CB 3.35Å; Q217-S221 PolarHBondContact O-N 3.41Å; Q217-S221 PolarHBondContact O-OG 3.36Å
218A52.6Low47Very low39 Ų3976.5 Ų76.532%0.32242%0.418SS..Hα-helixtrans-73.7-44.9178.200000111.4I214 R215 A216 I220 S221 Q222I214-A218 VanDerWaalsContact O-CB 3.22Å; I214-A218 WeakPolarHBondContact O-CB 3.39Å; I214-A218 PolarHBondContact O-N 2.75Å; R215-A218 PolarHBondContact O-N 3Å; A216-A218 VanDerWaalsContact C-N 3.29Å; A216-A218 PolarHBondContact O-N 3.2Å; A218-I220 VanDerWaalsContact C-N 3.3Å; A218-I220 PolarHBondContact O-N 3.27Å; A218-S221 CarbonylContact O-C 3.49Å; A218-S221 WeakPolarHBondContact O-CB 3.34Å; A218-S221 PolarHBondContact O-N 2.88Å; A218-S221 VanDerWaalsContact O-N 3.1Å; A218-Q222 WeakPolarHBondContact O-CB 3.44Å; A218-Q222 WeakPolarHBondContact O-CG 3.34Å; A218-Q222 PolarHBondContact O-N 2.73Å
219I54.9Low46.6Very low82 Ų8282.8 Ų82.842%0.42144%0.442SS..Hα-helixtrans-62-39.8172.7-70.5163.5000110.5R215 A216 R223R215-I219 VanDerWaalsContact O-CB 3.32Å; R215-I219 WeakPolarHBondContact O-CB 3.45Å; R215-I219 WeakPolarHBondContact O-CD1 3.32Å; R215-I219 WeakPolarHBondContact O-CG1 3.32Å; R215-I219 PolarHBondContact O-N 3.04Å; A216-I219 PolarHBondContact O-N 2.91Å; I219-R223 HydrophobicContact CG2-CG 4.42Å; I219-R223 VanDerWaalsContact O-CB 3.3Å; I219-R223 WeakPolarHBondContact O-CB 3.49Å; I219-R223 VanDerWaalsContact O-CG 3.3Å; I219-R223 WeakPolarHBondContact O-CG 3.41Å; I219-R223 PolarHBondContact O-N 2.85Å
220I49.2Very low46.2Very low68 Ų6887.5 Ų87.535%0.34946%0.464SS..Hα-helixtrans-60.8-49.2170.9-74.2163000109.6A216 A218 Q222 R223 L224A216-I220 VanDerWaalsContact O-CB 3.28Å; A216-I220 WeakPolarHBondContact O-CB 3.17Å; A216-I220 WeakPolarHBondContact O-CD1 3.48Å; A216-I220 WeakPolarHBondContact O-CG1 3.35Å; A216-I220 PolarHBondContact O-N 2.73Å; A218-I220 VanDerWaalsContact C-N 3.3Å; A218-I220 PolarHBondContact O-N 3.27Å; I220-Q222 VanDerWaalsContact C-N 3.34Å; I220-Q222 PolarHBondContact O-N 2.97Å; I220-R223 PolarHBondContact O-N 3.46Å; I220-L224 HydrophobicContact CG2-CD1 3.6Å; I220-L224 HydrophobicContact CG2-CG 4.21Å; I220-L224 WeakPolarHBondContact O-CB 3.47Å; I220-L224 WeakPolarHBondContact O-CG 3.34Å; I220-L224 PolarHBondContact O-N 3.38Å
221S47Very low45.7Very low35 Ų3592.7 Ų92.725%0.24549%0.492CS..Hα-helixtrans-61.4-38179.5-600000113.3Q217 A218 L224Q217-S221 VanDerWaalsContact O-CB 3.32Å; Q217-S221 WeakPolarHBondContact O-CB 3.35Å; Q217-S221 PolarHBondContact O-N 3.41Å; Q217-S221 PolarHBondContact O-OG 3.36Å; A218-S221 CarbonylContact O-C 3.49Å; A218-S221 WeakPolarHBondContact O-CB 3.34Å; A218-S221 PolarHBondContact O-N 2.88Å; A218-S221 VanDerWaalsContact O-N 3.1Å; S221-L224 WeakPolarHBondContact O-CB 3.18Å; S221-L224 PolarHBondContact O-N 3.12Å
222Q50.9Low45.1Very low138 Ų138100.8 Ų100.865%0.64553%0.525SS*.Hα-helixtrans-68.6-50.9174.8-73.4170.7-18.100111.6A218 I220 L224 G225A218-Q222 WeakPolarHBondContact O-CB 3.44Å; A218-Q222 WeakPolarHBondContact O-CG 3.34Å; A218-Q222 PolarHBondContact O-N 2.73Å; I220-Q222 VanDerWaalsContact C-N 3.34Å; I220-Q222 PolarHBondContact O-N 2.97Å; Q222-L224 PolarHBondContact O-N 2.89Å; Q222-L224 VanDerWaalsContact O-N 3.12Å; Q222-G225 PolarHBondContact O-N 3.45Å
223R47.5Very low44.6Very low214 Ų214108 Ų10881%0.80856%0.562SS**Hα-helixtrans-61-19.7174-73.7-178.9174.6-160.4-1.5113I219 I220 G225I219-R223 HydrophobicContact CG2-CG 4.42Å; I219-R223 VanDerWaalsContact O-CB 3.3Å; I219-R223 WeakPolarHBondContact O-CB 3.49Å; I219-R223 VanDerWaalsContact O-CG 3.3Å; I219-R223 WeakPolarHBondContact O-CG 3.41Å; I219-R223 PolarHBondContact O-N 2.85Å; I220-R223 PolarHBondContact O-N 3.46Å; R223-G225 PolarHBondContact O-N 3.42Å
224L47.5Very low43.9Very low56 Ų56109 Ų10929%0.29358%0.578SS.*THydrogen-bonded Turntrans-8412.7174.2-80179.4000113.6R13 I220 S221 Q222 F226R13-L224 PolarHBondContact NH1-O 3.11Å; I220-L224 HydrophobicContact CG2-CD1 3.6Å; I220-L224 HydrophobicContact CG2-CG 4.21Å; I220-L224 WeakPolarHBondContact O-CB 3.47Å; I220-L224 WeakPolarHBondContact O-CG 3.34Å; I220-L224 PolarHBondContact O-N 3.38Å; S221-L224 WeakPolarHBondContact O-CB 3.18Å; S221-L224 PolarHBondContact O-N 3.12Å; Q222-L224 PolarHBondContact O-N 2.89Å; Q222-L224 VanDerWaalsContact O-N 3.12Å; L224-F226 WeakPolarHBondContact O-CD2 3.25Å
225G37.4Very low42.7Very low64 Ų64110.3 Ų110.366%0.6660%0.595SS**THydrogen-bonded Turntrans82.139.1161.900000115.2Q222 R223Q222-G225 PolarHBondContact O-N 3.45Å; R223-G225 PolarHBondContact O-N 3.42Å
226F46.2Very low41.9Very low81 Ų81111.3 Ų111.336%0.35561%0.609SS.*  trans-118.588177.7-79.8-96000111.1L79 L224 G228L79-F226 HydrophobicContact CD2-CE2 4.36Å; L79-F226 HydrophobicContact CD2-CZ 4Å; L79-F226 HydrophobicContact CG-CZ 4.04Å; L224-F226 WeakPolarHBondContact O-CD2 3.25Å; F226-G228 PolarHBondContact O-N 3.28Å
227E35.7Very low41Very low205 Ų205115.7 Ų115.796%0.95863%0.626SS**  trans-75.3102.9153.5-71.3-178.7131.500107.8
228G36Very low40.3Very low70 Ų70119.9 Ų119.972%0.72266%0.655SS**  trans-101.1123.2158.200000107.3F226F226-G228 PolarHBondContact O-N 3.28Å
229H37.8Very low39.3Very low172 Ų172122.7 Ų122.780%0.79667%0.669SS**  trans-69164176-169.119.3000110.6D231H229-D231 PolarHBondContact O-N 3.38Å; H229-D231 VanDerWaalsContact O-N 3.1Å
230D33.6Very low38.3Very low143 Ų143123.3 Ų123.377%0.76568%0.68SS**  trans-74.693.4-167.7-45.1-104000111.8
231D36.3Very low37.4Very low157 Ų157125.2 Ų125.284%0.8470%0.699SS**  trans-99.7108.8163.5-83.1-48.9000109.9H229 I233H229-D231 PolarHBondContact O-N 3.38Å; H229-D231 VanDerWaalsContact O-N 3.1Å; D231-I233 PolarHBondContact O-N 2.69Å; D231-I233 VanDerWaalsContact O-N 3.13Å
232E35.2Very low36.6Very low196 Ų196131.8 Ų131.892%0.91673%0.73SS**  trans-70.698.9169.5-73.3-166.213100110.7
233I34.1Very low35.7Very low168 Ų168132.5 Ų132.586%0.86273%0.733SS**  trans-159.9156.5161.3-105.3143.5000110.8D231D231-I233 PolarHBondContact O-N 2.69Å; D231-I233 VanDerWaalsContact O-N 3.13Å
234S34.6Very low34.9Very low91 Ų91128.5 Ų128.564%0.63673%0.733SS**  trans7455.3177.4-1690000116.4L236S234-L236 PolarHBondContact O-N 2.96Å
235S29.8Very low34.1Very low119 Ų119133.5 Ų133.583%0.83276%0.755SS**  trans-57.9124.5141.247.10000109.6
236L36.3Very low33.7Very low147 Ų147135.1 Ų135.177%0.7776%0.756SS**  trans-146.1107.5168.7-106.5171000109.1S234S234-L236 PolarHBondContact O-N 2.96Å
237D29.8Very low32.9Very low137 Ų137139.8 Ų139.873%0.73378%0.779SS**  trans-60.5140.5179.2-63.1-72.7000111.6
238T34.1Very low32.7Very low136 Ų136137.2 Ų137.283%0.83478%0.776SS**  trans-133.129.8172.5-27.10000112.1
239T30.7Very low32.4Very low98 Ų98139.7 Ų139.760%0.60178%0.778SS**SBendtrans-132.953.7178.255.10000111.8L460T239-L460 HydrophobicContact CG2-CD2 4.43Å
240S34.5Very low31.8Very low95 Ų95138.6 Ų138.666%0.66478%0.776SS**  trans-142150.4168.463.10000111.9
241S30.7Very low31.7Very low108 Ų108139.6 Ų139.676%0.75578%0.78SS**  trans57.860.8158.9-54.70000119
242I30Very low31.3Very low173 Ų173138.8 Ų138.889%0.88777%0.771SS**  trans-101.979.3136-57.9-176.5000107.5
243Q31.9Very low30.9Very low152 Ų152137.3 Ų137.371%0.7177%0.769SS**  trans-77.1126.7171-176170.5-8.700108.6H245Q243-H245 PolarHBondContact O-N 2.93Å
244T30Very low30.7Very low131 Ų131137.1 Ų137.180%0.80476%0.764SS**  trans-67.5114.5179.749.50000110.9
245H30.6Very low30.4Very low161 Ų161139.8 Ų139.875%0.74577%0.767SS**  trans-121134.9157.4-89.9-87.8000110Q243Q243-H245 PolarHBondContact O-N 2.93Å
246S30.2Very low30.3Very low98 Ų98141.1 Ų141.169%0.68577%0.77SS**  trans-78.6173.5177.747.50000111.9
247E29.3Very low30Very low179 Ų179141.6 Ų141.684%0.83677%0.765SS**  trans69.992.5168.2-51-175.4153.200116.8
248V31Very low30Very low150 Ų150142.1 Ų142.191%0.90977%0.774SS**  -137.6134.6119.4177.80000109.3
249T30.2Very low29.7Very low122 Ų122138.9 Ų138.975%0.74877%0.767SS**  trans-65.1147.8-178.6-56.40000114.2
250I25.7Very low29.6Very low149 Ų149143.7 Ų143.776%0.76478%0.782SS**  trans-19.4130.4155.8-57.3157.6000114.5
251I29.8Very low29.2Very low164 Ų164143.4 Ų143.484%0.84178%0.78SS**  trans-154.4152.1134.6-105152.2000111
252H28.5Very low29.1Very low141 Ų141146.5 Ų146.565%0.65378%0.783SS**  trans-80.6129.9-169.2-177.875.7000112.5
253N27Very low29Very low165 Ų165149.2 Ų149.288%0.88278%0.782SS**  trans-81.1123.3164.5-87.2-23.3000109.8
254Q30.4Very low28.9Very low163 Ų163145.8 Ų145.876%0.76278%0.78SS**  trans-135.1152.2167.6-153.816846.100110.1V256Q254-V256 PolarHBondContact O-N 3.46Å
255E27.3Very low29Very low148 Ų148144.2 Ų144.269%0.69277%0.774SS**  trans-61.4131-169.5-68.5172.282.800113.8K257E255-K257 IonicContact OE1-NZ 2.75Å; E255-K257 PolarHBondContact OE1-NZ 3.29Å
256V28Very low29.2Very low146 Ų146143.3 Ų143.389%0.88577%0.77SS**  trans-94.998.5152.6178.60000108Q254Q254-V256 PolarHBondContact O-N 3.46Å
257K29.4Very low29.4Very low157 Ų157145.7 Ų145.768%0.68377%0.771SS**  trans-98113.7-179.9-153.7176.8-151.8121.50109E255 G259E255-K257 IonicContact OE1-NZ 2.75Å; E255-K257 PolarHBondContact OE1-NZ 3.29Å; K257-G259 PolarHBondContact O-N 3.46Å
258V31.3Very low29.5Very low149 Ų149143 Ų14390%0.90376%0.761SS**  trans-63.5121170.6179.70000107.3
259G27Very low29.7Very low67 Ų67141.5 Ų141.569%0.69175%0.748SS**  trans-97.7163.3-160.600000115K257K257-G259 PolarHBondContact O-N 3.46Å
260E28.8Very low29.9Very low199 Ų199142 Ų14293%0.9375%0.746SS**  trans-142.2115.9158.8-137.2173-154.100110.9
261S25.4Very low30.4Very low89 Ų89141.3 Ų141.362%0.62274%0.743SS**  trans65.7139.3159.9-131.20000124.3
262H30Very low30.8Very low174 Ų174140 Ų14081%0.80674%0.738SS**  trans62.5129.1156.5-55-44.1000120.2
263R27.5Very low31.3Very low229 Ų229138 Ų13886%0.86474%0.74SS**  cis171.1146.87.6168.7177.5-173.11593.6107.6
264A30Very low31.8Very low81 Ų81136.5 Ų136.567%0.66973%0.732SS**  trans66.9110.6170.100000115.5
265S32Very low32.2Very low98 Ų98132.9 Ų132.969%0.68572%0.724SS**  96.1133.983.3-770000110.6
266E34.7Very low32.7Very low141 Ų141131.4 Ų131.466%0.65973%0.731SS**  cis-165.3157.56.5-121160.7-11200111.5
267Q33.8Very low32.9Very low149 Ų149133.3 Ų133.370%0.69673%0.727SS**  trans67.5139.5152.4-64.5179.155.400117.9
268L32.3Very low33.1Very low123 Ų123133.5 Ų133.564%0.64473%0.734SS**  cis-158.31542.5-110.4160.8000110.8
269N34.2Very low33Very low117 Ų117137 Ų13763%0.62673%0.731SS**  trans68.5120.3156-64.6-20.9000118.6
270N34.6Very low33.3Very low134 Ų134141 Ų14172%0.71774%0.735SS**  103.5140.251.6-81.40.2000110.3
271L36.9Very low33.3Very low133 Ų133140 Ų14070%0.69673%0.73SS**  cis-157.5153.59.5-108.1155000110.2
272D37.5Very low33.7Very low137 Ų137139.8 Ų139.873%0.73373%0.734SS**  trans52.3156.9146.5-81.941000123.8
273S38.4Very low33.8Very low99 Ų99137.3 Ų137.369%0.69274%0.736SS**  cis178.9164.3-20.5-95.20000107.9
274D38.1Very low34.1Very low133 Ų133132.1 Ų132.171%0.71173%0.732SS**  cis-165.7163.2-3217451000107.9
275S39.6Very low34.1Very low87 Ų87133.6 Ų133.661%0.60874%0.737SS**  trans69.7150162.5-81.40000117.9
276S37.4Very low33.9Very low118 Ų118138.3 Ų138.383%0.82575%0.745SS**  cis-139.9164.220.6-58.70000114.9
277K32.8Very low33.4Very low186 Ų186135.8 Ų135.881%0.80974%0.742SS**  trans-65160.3171-62131.8-177.8165.60111.8
278I32.5Very low33.1Very low160 Ų160136.9 Ų136.982%0.82175%0.752SS**  -171.2123.879.7-77.6150.4000106
279R29Very low32.9Very low224 Ų224138.5 Ų138.585%0.84576%0.756SS**  69.410261.2-153-157.2-162.7-174.77.1116
280I33.5Very low32.9Very low150 Ų150141 Ų14177%0.76977%0.768SS**  171.7149.6123.7-86.7163.6000112.4
281Q30.3Very low32.7Very low178 Ų178142.3 Ų142.383%0.83277%0.772SS**  trans-56.7161.7-169.2-64.9161.5-46.300121.2
282A33Very low32.6Very low85 Ų85144 Ų14470%0.70278%0.781SS**  trans85.599.213200000123
283S31Very low32.4Very low122 Ų122145.4 Ų145.485%0.85378%0.784SS**  78.9152.9123.8-58.30000120.7
284P35.8Very low32.3Very low120 Ų120145.3 Ų145.378%0.77978%0.78SS**  trans-119.7165.1-151.741.5-29.7000115.9
285S29Very low32.3Very low111 Ų111145.9 Ų145.978%0.77679%0.788SS**  trans-169.7144160.9-85.20000112.3
286K27.9Very low31.9Very low198 Ų198147.5 Ų147.586%0.86180%0.795SS**  trans64.6162.1161.9-67.1-175.3177.5-171.10116.1
287C23.2Very low31.9Very low88 Ų88147.1 Ų147.160%0.59579%0.79SS**  cis-154.6164.5-15.7-117.80000108
288L29.3Very low31.8Very low171 Ų171143.7 Ų143.790%0.89579%0.789SS**  trans-160.4123.1141.5-116.4160.3000110.2
289E27.3Very low32Very low157 Ų157142.2 Ų142.273%0.73479%0.793SS**  trans-101.4147.4177.6-64.6157.3123.700109.4
290I33.7Very low32.2Very low171 Ų171137 Ų13788%0.87779%0.79SS**  trans-132.6130.6150-60.9-176.7000106.3
291M30.2Very low32.3Very low161 Ų161134.1 Ų134.179%0.79379%0.79SS**  trans-95.2151-179-62.4158.753.400110.5
292D36.2Very low32.7Very low168 Ų168133.3 Ų133.390%0.89879%0.79SS**  -154.3161.3126.7-129.7-33.9000111.7
293E32.7Very low32.6Very low167 Ų167135.3 Ų135.378%0.7879%0.793SS**  trans-93.3160.6-163.6-94.1-95.1106.700115.7
294P35.5Very low32.8Very low96 Ų96134.9 Ų134.962%0.62379%0.79SS**  trans-100.2159.2-175.438.7-32.5000114.4
295V37.9Very low32.5Very low145 Ų145135.9 Ų135.988%0.87979%0.789SS**  trans-133130.9163.8-177.70000111
296T32.2Very low32.7Very low122 Ų122136 Ų13675%0.74879%0.79SS**  trans-140.2179.3170660000106.9
297P38Very low33.1Very low110 Ų110135.4 Ų135.471%0.71479%0.79SS**  cis-137.3-163.42.533.8-9.9000114.4
298S30.9Very low33.5Very low114 Ų114137.2 Ų137.280%0.79780%0.799SS**  trans82.3109.3148.4-57.20000120.9
299S35.5Very low33.7Very low128 Ų128137.4 Ų137.490%0.89580%0.8SS**  -156158.9120.1-164.30000110.9
300S33.6Very low34Very low114 Ų114133.9 Ų133.980%0.79780%0.798SS**  trans-145.6132.9-165.959.10000114.5
301A36.1Very low33.6Very low91 Ų91130.8 Ų130.875%0.75279%0.791SS**  trans-157115159.600000108.2
302L38.9Very low33.9Very low160 Ų160129.2 Ų129.284%0.83879%0.793SS**  63.896.586.2-63.9178.4000112.8
303V30.1Very low33.5Very low127 Ų127129.2 Ų129.277%0.7779%0.787SS**  83.6114.489.5163.70000113.2
304S34.6Very low33.5Very low114 Ų114129.5 Ų129.580%0.79779%0.786SS**  -174.4146110.8-162.90000112
305D30.4Very low33.1Very low140 Ų140130.7 Ų130.775%0.74979%0.792SS**  trans-86.9172.4-169.4-48.9-77.7000115.9
306S32Very low33.1Very low113 Ų113131.8 Ų131.879%0.7979%0.787SS**  trans108.7154.7133.1-66.90000122
307E37.2Very low33.1Very low186 Ų186131.5 Ų131.587%0.86979%0.79SS**  trans88.189.4161.7-52.2-127.511800118.9
308T30.5Very low32.8Very low127 Ų127133.8 Ų133.878%0.77980%0.796SS**  trans-39.6147.8145.746.40000115.1
309L34.9Very low33Very low175 Ų175135.3 Ų135.392%0.91680%0.795SS**  trans168.2153.2141.6-89.3179.4000106.6
310A32.6Very low32.9Very low83 Ų83133.7 Ų133.769%0.68678%0.784SS**  cis-166.8151.1-31.300000106.9
311S25.9Very low32.9Very low106 Ų106134.1 Ų134.174%0.74179%0.786SS**PPolyproline II helixtrans-72.6137.5-177.6-520000113H313S311-H313 PolarHBondContact O-N 2.95Å
312P36.1Very low32.9Very low127 Ų127135.8 Ų135.883%0.82579%0.789SS**PPolyproline II helixtrans-76.9118.8159.930.9-30000109.4
313H29.2Very low32.5Very low168 Ų168132.5 Ų132.578%0.77879%0.786SS**PPolyproline II helixtrans-69.7145.6169.3-68.8-110.8000110.3S311S311-H313 PolarHBondContact O-N 2.95Å
314F31.5Very low32.7Very low174 Ų174134 Ų13476%0.76379%0.788SS**  trans-128.6104.7154.7-157.6-98.1000110.8Q316F314-Q316 HydrophobicContact CE1-CG 3.74Å; F314-Q316 HydrophobicContact CZ-CG 4.31Å
315T28.1Very low32.4Very low121 Ų121133 Ų13374%0.74278%0.781SS**  trans-96.4123.8173.751.80000109.6
316Q36.1Very low32.6Very low168 Ų168134.3 Ų134.379%0.78579%0.787SS**  trans-125.6127154.1-87-172.9-900110F314F314-Q316 HydrophobicContact CE1-CG 3.74Å; F314-Q316 HydrophobicContact CZ-CG 4.31Å
317S32.4Very low32.6Very low115 Ų115132.2 Ų132.280%0.80478%0.777SS**  trans-81.6139.3-177.9-172.80000110.5
318L31.6Very low32.3Very low159 Ų159131.9 Ų131.983%0.83278%0.776SS**  trans-58.6137.7158.2-62.3167.8000109.6
319N35.6Very low32.4Very low145 Ų145130.9 Ų130.978%0.77577%0.77SS**  trans-163.9108.3136.9-118.8-27.2000113.9
320S33.3Very low32.5Very low95 Ų95131 Ų13166%0.66477%0.765SS**  50.396123.8-49.30000120.6
321S33.4Very low32.4Very low122 Ų122132.3 Ų132.385%0.85377%0.77SS**  56.3153.7123.2-58.40000122.7
322P36.3Very low33.1Very low126 Ų126133 Ų13382%0.81877%0.772SS**  trans-106.6156.6-164.540-34.2000115.7
323A30.6Very low32.9Very low92 Ų92131.6 Ų131.676%0.7677%0.765SS**  trans-170.9135.1143.400000114.5
324L33.6Very low33.2Very low157 Ų157131 Ų13182%0.82277%0.767SS**  trans52102.7139.9-62175.5000123
325S29.4Very low33.5Very low93 Ų93133 Ų13365%0.6578%0.775SS**  73.9140.1117.874.10000123.2
326L33.9Very low33.6Very low168 Ų168131.8 Ų131.888%0.8878%0.777SS**  trans63.6151.2170.4-82.866000116.6
327A33.4Very low33.7Very low70 Ų70130.7 Ų130.758%0.57978%0.782SS**  cis-171.9145.7-32.400000108
328E31Very low33.7Very low179 Ų179130.3 Ų130.384%0.83678%0.779SS**  trans56143.8155.5-64.9-179.8112.700119.4
329T30.9Very low34.2Very low106 Ų106131.1 Ų131.165%0.6578%0.783SS**  cis-154.9-180-5.930000110.3
330Q36.8Very low34Very low176 Ų176129.2 Ų129.282%0.82278%0.781SS**  trans78.392.4150.2-76.8163.683.600120.4
331S32.1Very low34.3Very low112 Ų112135 Ų13578%0.78379%0.789SS**  trans-58.7-171.7150.4-300000113.5
332P39.4Very low34.6Very low121 Ų121137 Ų13779%0.78678%0.782SS**  -134.6-162.4-55.836.7-17000111.6
333S33.6Very low34.9Very low97 Ų97137.3 Ų137.368%0.67877%0.772SS**  140.3115.2127.6-164.40000117.3
334L33.4Very low35.3Very low155 Ų155138.1 Ų138.181%0.81276%0.764SS**  trans30132.4137-51.5175.8000121.8
335K38Very low35.7Very low215 Ų215137.8 Ų137.894%0.93576%0.758SS**  -165.2157.2110.4-102.4152.3-1701720112.6
336A32Very low36.2Very low96 Ų96138.8 Ų138.879%0.79376%0.76SS**  trans-124.9160.7178.900000110.9
337V37.3Very low36.4Very low146 Ų146139.2 Ų139.289%0.88576%0.755SS**  trans-134.3141.1169.4177.20000108.7
338S32.3Very low36.6Very low107 Ų107146.8 Ų146.875%0.74877%0.768SS**  trans-131.2152.8175.961.40000110.8
339L41.3Very low36.7Very low176 Ų176146.4 Ų146.492%0.92176%0.764SS**  trans-138.6158.2165.3-81.5179.5000110.2
340S32Very low37.1Very low105 Ų105148.8 Ų148.873%0.73477%0.771SS**  trans-154.9164-16161.40000112.4
341R39.3Very low36.9Very low217 Ų217145.2 Ų145.282%0.81976%0.763SS**  trans-176.3122.2152.5-97.6148.1-167.9-1393.2110.2
342K40.7Very low36.9Very low163 Ų163146.1 Ų146.171%0.70976%0.764SS**  80.7142.6105.8-70.4-173.9173.3-161.90114.9
343H42.6Very low36.6Very low133 Ų133145.5 Ų145.562%0.61676%0.76SS**  cis-161133.8-4.9-117.6-41.8000111
344N37.8Very low36.5Very low109 Ų109145.3 Ų145.358%0.58377%0.765SS**  trans58.7159.6133.7-66.828000121.2
345H43.2Very low36.3Very low149 Ų149144 Ų14469%0.6977%0.765SS**  cis-154.5137.17.9-122.5-31.5000113.4
346T38.6Very low35.9Very low115 Ų115140 Ų14071%0.70676%0.759SS**  trans64.8151.3150.753.50000120.2
347K39.9Very low35.9Very low176 Ų176146.1 Ų146.177%0.76576%0.763SS**  cis-156.3126.610.4-133.9161.4-173.5171.80112.1
348R35.8Very low35.4Very low229 Ų229147.8 Ų147.886%0.86476%0.761SS**  trans62.5143.4164.1-64178.7170174.8-3.8116.4
349K34.3Very low35.4Very low172 Ų172149.8 Ų149.875%0.74876%0.763SS**  cis-158.4136.8-4.4-129-173.6176.9-169.60109.3
350I37.9Very low34.9Very low155 Ų155150.2 Ų150.280%0.79576%0.761SS**  trans72.7142.5162.9-56.2168000114.5
351P34.1Very low34.7Very low102 Ų102151.9 Ų151.966%0.66277%0.766SS**  trans-126.4141.5-146.438.4-21.7000118.6
352T32.4Very low34.3Very low131 Ų131144.5 Ų144.580%0.80476%0.758SS**  53.8146.6115.1-42.20000121.1
353P33.2Very low33.7Very low108 Ų108144.8 Ų144.870%0.70176%0.761SS**  cis-122.6148-28.735.6-19.7000113
354A31Very low33.3Very low93 Ų93148.3 Ų148.377%0.76978%0.775SS**  73.2141.786.600000116.8
355P28.6Very low32.9Very low126 Ų126148.4 Ų148.482%0.81878%0.78SS**  trans-108.1163.8-154.740.6-34.3000115.8
356V30Very low32.4Very low132 Ų132147.1 Ų147.180%0.879%0.788SS**  trans-110118.5170.61790000110
357Y31.2Very low31.9Very low225 Ų225145.9 Ų145.988%0.88279%0.789SS**  trans25.691.3166.2-70.1-80.5000119N359Y357-N359 PolarHBondContact O-N 3.41Å
358Q27.1Very low31.5Very low181 Ų181145.2 Ų145.285%0.84679%0.793SS**  trans-68.8101.1164.7178.3-176.8-1.200111.1
359N32Very low31.3Very low149 Ų149140.5 Ų140.580%0.79780%0.795SS**  trans-94.9144.7153.6-96.6-29.4000109.2Y357 V361Y357-N359 PolarHBondContact O-N 3.41Å; N359-V361 PolarHBondContact O-N 2.95Å; N359-V361 VanDerWaalsContact O-N 3.12Å
360Q30.6Very low31.3Very low185 Ų185137.4 Ų137.486%0.86479%0.793SS**  trans-74.1106.8-155.5-61.3175.521.800112.9G362Q360-G362 PolarHBondContact O-N 2.87Å
361V28.7Very low30.8Very low139 Ų139135.5 Ų135.584%0.84279%0.793SS**  trans-78104.7167.9179.80000108.4N359 E363N359-V361 PolarHBondContact O-N 2.95Å; N359-V361 VanDerWaalsContact O-N 3.12Å; V361-E363 PolarHBondContact O-N 3.36Å
362G31.7Very low30.6Very low63 Ų63139.6 Ų139.665%0.64981%0.806SS**  trans-70108.1171.400000110.6Q360 F364Q360-G362 PolarHBondContact O-N 2.87Å; G362-F364 PolarHBondContact O-N 3.15Å
363E27.1Very low30.8Very low168 Ų168139 Ų13979%0.78581%0.807SS**  trans-69.3105.2-173.6-172.8170.7-144.100112.3V361V361-E363 PolarHBondContact O-N 3.36Å
364F35.2Very low30.6Very low207 Ų207140 Ų14091%0.90881%0.811SS**  trans-134.857.7173.5-83.3-70.6000112.1G362G362-F364 PolarHBondContact O-N 3.15Å
365T29.1Very low30.7Very low112 Ų112143.6 Ų143.669%0.68782%0.818SS**  trans-88.9133.8166.152.40000111.5
366S31.9Very low31Very low121 Ų121145 Ų14585%0.84682%0.818SS**SBendtrans79157.1161.5-54.30000119.3
367A27.2Very low31.2Very low90 Ų90145.7 Ų145.774%0.74482%0.817SS**  trans6789.9164.500000119.1
368L32.2Very low31.3Very low161 Ų161142.1 Ų142.184%0.84381%0.813SS**  trans-136.162.8145.2-83.1-173.1000112.7P370L368-P370 HydrophobicContact CD2-CG 4.16Å
369S31.5Very low31.6Very low130 Ų130141.1 Ų141.191%0.90981%0.813SS**  trans-118.398.4146.1-66.70000109.1
370P34.8Very low31.6Very low108 Ų108141.9 Ų141.970%0.70181%0.812SS**  trans-116.8134.9164.6913.7000111.5L368L368-P370 HydrophobicContact CD2-CG 4.16Å
371S27.3Very low31.7Very low115 Ų115140.8 Ų140.880%0.80481%0.812SS**  trans-69.6160.6-179.2-57.90000114S373S371-S373 PolarHBondContact O-N 3.2Å
372M30.8Very low32.1Very low188 Ų188138.9 Ų138.993%0.92680%0.8SS**  trans-59.3128163.9-67.8-68.3168.100111.1
373S35.4Very low32.5Very low119 Ų119141.6 Ų141.683%0.83280%0.8SS**  trans-135.6112.5163.5-76.60000108.5S371S371-S373 PolarHBondContact O-N 3.2Å
374T29.6Very low33Very low128 Ų128137.5 Ų137.579%0.78580%0.795SS**  trans-71.3140.6-179.249.80000112
375N32.8Very low33.5Very low168 Ų168132 Ų13290%0.89878%0.782SS**  trans-146.6121.5144-97.2-41.1000109.4
376L34.9Very low34.2Very low157 Ų157132.7 Ų132.782%0.82278%0.777SS**  trans-83.6139.9170.4-67.4162.2000108.5
377N35Very low35.5Very low145 Ų145129.9 Ų129.978%0.77576%0.757SS**  trans-177120.8141.8-92.4-27.8000109.9
378N31.6Very low37.1Very low150 Ų150128.3 Ų128.380%0.80274%0.741SS**  trans45.993.6146.1-46.6-9.9000118.1
379D34.9Very low38.7Very low161 Ų161123.4 Ų123.486%0.86172%0.718SS**  -154146.898-144.6-7.8000110.8
380E30.8Very low40.7Very low164 Ų164124.3 Ų124.377%0.76670%0.702SS**  trans-106.1147.6-174.8-153.2168.3110.100110.4
381L33.1Very low42.4Very low163 Ų163120.5 Ų120.585%0.85368%0.677SS**SBendtrans81.130.8172.4-47.6169.7000120
382T36.5Very low44.6Very low98 Ų98115.1 Ų115.160%0.60164%0.64SS**  trans-136.11.4167.2640000118
383D40.5Very low47Very low121 Ų121112.3 Ų112.365%0.64762%0.619SS**Hα-helixtrans-68.2-46.9-158.3-177.438.5000117.1S385 Q386 S387D383-S385 VanDerWaalsContact C-N 3.27Å; D383-S385 PolarHBondContact O-N 2.95Å; D383-Q386 PolarHBondContact O-N 2.83Å; D383-S387 PolarHBondContact O-N 2.91Å
384A39.1Very low49.2Very low82 Ų82111 Ų11168%0.67860%0.596SS**Hα-helixtrans-53.5-38.5-164.300000114.9S388A384-S388 PolarHBondContact O-N 3.04Å
385S43.9Very low51.8Low91 Ų91105.2 Ų105.264%0.63656%0.559SS**Hα-helixtrans-65.1-43.4178-57.10000112.2D383 S388D383-S385 VanDerWaalsContact C-N 3.27Å; D383-S385 PolarHBondContact O-N 2.95Å; S385-S388 PolarHBondContact O-N 2.88Å; S385-S388 PolarHBondContact O-OG 3Å
386Q44.3Very low54.5Low127 Ų127100 Ų10059%0.59353%0.527SS*.Hα-helixtrans-69-41.5-176.1-56.7-162.847.100111.5D383 S388 V389 Y390D383-Q386 PolarHBondContact O-N 2.83Å; Q386-S388 PolarHBondContact O-N 3.34Å; Q386-V389 PolarHBondContact O-N 3.12Å; Q386-Y390 PolarHBondContact O-N 2.94Å
387S58.4Low57Low61 Ų6199.7 Ų99.743%0.42752%0.515SS..Hα-helixtrans-53.9-48.8175.2-179.30000112D383 V389 Y390 V391D383-S387 PolarHBondContact O-N 2.91Å; S387-V389 VanDerWaalsContact C-N 3.3Å; S387-V389 PolarHBondContact O-N 3.44Å; S387-Y390 PolarHBondContact O-N 3.34Å; S387-V391 WeakPolarHBondContact O-CG2 3.45Å; S387-V391 PolarHBondContact O-N 3.32Å
388S61.9Low59.6Low57 Ų5793.5 Ų93.540%0.39948%0.483SS..Hα-helixtrans-58.6-38.2179.977.10000113.7A384 S385 Q386 A392A384-S388 PolarHBondContact O-N 3.04Å; S385-S388 PolarHBondContact O-N 2.88Å; S385-S388 PolarHBondContact O-OG 3Å; Q386-S388 PolarHBondContact O-N 3.34Å; S388-A392 WeakPolarHBondContact O-CB 3.47Å; S388-A392 PolarHBondContact O-N 3.47Å
389V66.3Low62.5Low58 Ų5886.4 Ų86.435%0.35245%0.445SS..Hα-helixtrans-76.6-36.9179.8175.80000111.2Q386 S387 A392 R393Q386-V389 PolarHBondContact O-N 3.12Å; S387-V389 VanDerWaalsContact C-N 3.3Å; S387-V389 PolarHBondContact O-N 3.44Å; V389-A392 PolarHBondContact O-N 3.1Å; V389-R393 WeakPolarHBondContact O-CB 3.37Å; V389-R393 VanDerWaalsContact O-CG 3.23Å; V389-R393 WeakPolarHBondContact O-CG 3.44Å; V389-R393 PolarHBondContact O-N 3Å
390Y72.9Confident65.2Low149 Ų14980.9 Ų80.958%0.58442%0.415SS*.Hα-helixtrans-60.9-46.8172.8-179.2-85.5000111.3Q386 S387 R393 R394Q386-Y390 PolarHBondContact O-N 2.94Å; S387-Y390 PolarHBondContact O-N 3.34Å; Y390-R393 PolarHBondContact O-N 3.15Å; Y390-R394 PolarHBondContact O-N 3.48Å
391V71.4Confident68.1Low28 Ų2876.1 Ų76.117%0.1740%0.4CS..Hα-helixtrans-60.2-47.4176.8170.70000111.1S387 R393 R394 W395 Y467S387-V391 WeakPolarHBondContact O-CG2 3.45Å; S387-V391 PolarHBondContact O-N 3.32Å; V391-R393 VanDerWaalsContact C-N 3.34Å; V391-R393 PolarHBondContact O-N 3.1Å; V391-R394 WeakPolarHBondContact O-CB 3.15Å; V391-R394 PolarHBondContact O-N 3.49Å; V391-W395 PolarHBondContact O-N 3.46Å; V391-Y467 HydrophobicContact CG1-CE1 3.76Å
392A73.1Confident71Confident3 Ų368.4 Ų68.43%0.02536%0.36CS..Hα-helixtrans-59.9-41.1175.900000112.8S388 V389 W395 R396S388-A392 WeakPolarHBondContact O-CB 3.47Å; S388-A392 PolarHBondContact O-N 3.47Å; V389-A392 PolarHBondContact O-N 3.1Å; A392-W395 PolarHBondContact O-N 3.22Å; A392-R396 WeakPolarHBondContact O-CB 2.83Å; A392-R396 PolarHBondContact O-N 3.12Å
393R80.2Confident73.8Confident128 Ų12864 Ų6448%0.48333%0.333SS..Hα-helixtrans-65.8-37.2175.2-72.4168.9-179.8170.82.8112.8V389 Y390 V391 R397 I452V389-R393 WeakPolarHBondContact O-CB 3.37Å; V389-R393 VanDerWaalsContact O-CG 3.23Å; V389-R393 WeakPolarHBondContact O-CG 3.44Å; V389-R393 PolarHBondContact O-N 3Å; Y390-R393 PolarHBondContact O-N 3.15Å; V391-R393 VanDerWaalsContact C-N 3.34Å; V391-R393 PolarHBondContact O-N 3.1Å; R393-R397 WeakPolarHBondContact O-CG 3.47Å; R393-R397 PolarHBondContact O-N 3.12Å; R393-R397 PolarHBondContact O-NE 3.35Å; R393-I452 HydrophobicContact CG-CD1 3.88Å; R393-I452 HydrophobicContact CG-CG1 4.3Å
394R82Confident76.4Confident93 Ų9361.7 Ų61.735%0.35133%0.325SS..Hα-helixtrans-59.6-54.1172.6173.7174.4163.8100-12.2110.1Y390 V391 R396 R397 S398 D523Y390-R394 PolarHBondContact O-N 3.48Å; V391-R394 WeakPolarHBondContact O-CB 3.15Å; V391-R394 PolarHBondContact O-N 3.49Å; R394-R396 PolarHBondContact O-N 3.32Å; R394-R397 WeakPolarHBondContact O-CB 3.42Å; R394-R397 PolarHBondContact O-N 2.89Å; R394-R397 VanDerWaalsContact O-N 3.12Å; R394-S398 PolarHBondContact O-N 3.11Å; R394-S398 VanDerWaalsContact O-N 3.1Å; R394-S398 PolarHBondContact O-OG 3.36Å; R394-D523 IonicContact CZ-OD2 2.72Å; R394-D523 IonicContact NE-OD2 2.84Å; R394-D523 IonicContact NH2-OD2 3.19Å; R394-D523 PolarHBondContact NH2-OD2 2.94Å
395W85Confident79.1Confident6 Ų659 Ų592%0.02330%0.301CS..Hα-helixtrans-72.9-29.9-174.8-57.7130.6000115V391 A392 R397 S398 L399 I470 I519 M520 D523 I524V391-W395 PolarHBondContact O-N 3.46Å; A392-W395 PolarHBondContact O-N 3.22Å; W395-R397 VanDerWaalsContact C-N 3.32Å; W395-R397 PolarHBondContact O-N 3.43Å; W395-S398 PolarHBondContact O-N 3.24Å; W395-L399 PolarHBondContact O-N 3.48Å; W395-I470 HydrophobicContact CB-CD1 3.56Å; W395-I470 HydrophobicContact CB-CG1 3.8Å; W395-I470 HydrophobicContact CB-CG2 4Å; W395-I470 HydrophobicContact CG-CG2 4.46Å; W395-I519 HydrophobicContact CH2-CG2 4.39Å; W395-M520 HydrophobicContact CB-CE 4.28Å; W395-M520 HydrophobicContact CD2-CE 4.33Å; W395-M520 HydrophobicContact CE3-CE 3.82Å; W395-M520 HydrophobicContact CE3-CG 3.69Å; W395-M520 HydrophobicContact CE3-SD 4.26Å; W395-M520 HydrophobicContact CH2-CG 4.49Å; W395-M520 HydrophobicContact CZ3-CB 4.4Å; W395-M520 HydrophobicContact CZ3-CG 3.53Å; W395-D523 HydrophobicContact CH2-CB 3.62Å; W395-D523 WeakPolarHBondContact CH2-OD2 3.36Å; W395-D523 HydrophobicContact CZ2-CB 3.33Å; W395-D523 WeakPolarHBondContact CZ2-OD2 3.39Å; W395-I524 HydrophobicContact CD2-CD1 3.83Å; W395-I524 HydrophobicContact CD2-CG1 4.47Å; W395-I524 HydrophobicContact CE3-CD1 4.42Å; W395-I524 HydrophobicContact CG-CD1 3.87Å; W395-I524 HydrophobicContact CZ2-CG1 4.4Å
396R88.3Confident81.6Confident58 Ų5854.7 Ų54.722%0.21927%0.27CS..Hα-helixtrans-57.6-44.8166.4176.4-179.9168.7111.65111.4A392 R394 L399 L400 L448 I452A392-R396 WeakPolarHBondContact O-CB 2.83Å; A392-R396 PolarHBondContact O-N 3.12Å; R394-R396 PolarHBondContact O-N 3.32Å; R396-L399 PolarHBondContact O-N 3.01Å; R396-L400 HydrophobicContact CG-CD1 3.87Å; R396-L400 HydrophobicContact CG-CG 4.41Å; R396-L400 WeakPolarHBondContact O-CB 3.06Å; R396-L400 WeakPolarHBondContact O-CG 3.47Å; R396-L400 PolarHBondContact O-N 2.95Å; R396-L448 HydrophobicContact CB-CD2 4.34Å; R396-L448 HydrophobicContact CG-CB 4.13Å; R396-L448 HydrophobicContact CG-CD1 4.15Å; R396-L448 HydrophobicContact CG-CD2 4.34Å; R396-L448 HydrophobicContact CG-CG 4.45Å; R396-L448 PolarHBondContact NH1-O 3.01Å; R396-I452 VanDerWaalsContact CD-CD1 3.43Å
397R87Confident84Confident151 Ų15151.3 Ų51.357%0.5725%0.253SS*.Hα-helixtrans-65-40.2178.1-73-177.8-63.3-133.80.3111.7R393 R394 W395 L400 S401R393-R397 WeakPolarHBondContact O-CG 3.47Å; R393-R397 PolarHBondContact O-N 3.12Å; R393-R397 PolarHBondContact O-NE 3.35Å; R394-R397 WeakPolarHBondContact O-CB 3.42Å; R394-R397 PolarHBondContact O-N 2.89Å; R394-R397 VanDerWaalsContact O-N 3.12Å; W395-R397 VanDerWaalsContact C-N 3.32Å; W395-R397 PolarHBondContact O-N 3.43Å; R397-L400 PolarHBondContact O-N 3.3Å; R397-S401 WeakPolarHBondContact O-CB 3.35Å; R397-S401 PolarHBondContact O-N 3.44Å
398S90.2Very high85.8Confident15 Ų1552.5 Ų52.511%0.10526%0.261CS..Hα-helixtrans-58.5-50.2174-54.40000112.1R394 W395 L400 S401 A402 M520R394-S398 PolarHBondContact O-N 3.11Å; R394-S398 VanDerWaalsContact O-N 3.1Å; R394-S398 PolarHBondContact O-OG 3.36Å; W395-S398 PolarHBondContact O-N 3.24Å; S398-L400 PolarHBondContact O-N 3.41Å; S398-S401 WeakPolarHBondContact O-CB 3.48Å; S398-S401 PolarHBondContact O-N 3.18Å; S398-A402 PolarHBondContact O-N 3.33Å; S398-M520 VanDerWaalsContact CB-SD 3.57Å
399L92.2Very high87.5Confident0 Ų050.6 Ų50.60%025%0.246CC..Hα-helixtrans-66.4-36.6-179.7-71169.8000112.9W395 R396 A402 L403 M444 L448 I470 I473 A474 W517 M520W395-L399 PolarHBondContact O-N 3.48Å; R396-L399 PolarHBondContact O-N 3.01Å; L399-A402 WeakPolarHBondContact O-CB 3.39Å; L399-A402 PolarHBondContact O-N 2.98Å; L399-L403 PolarHBondContact O-N 3.26Å; L399-M444 HydrophobicContact CB-CE 4.12Å; L399-M444 HydrophobicContact CB-SD 4.16Å; L399-M444 HydrophobicContact CD2-CE 4.35Å; L399-M444 VanDerWaalsContact O-SD 3.37Å; L399-L448 HydrophobicContact CB-CD1 4.1Å; L399-L448 HydrophobicContact CD1-CD2 3.98Å; L399-I470 HydrophobicContact CD1-CD1 3.76Å; L399-I470 HydrophobicContact CD1-CG2 4.25Å; L399-I473 HydrophobicContact CD1-CB 4.22Å; L399-I473 HydrophobicContact CD1-CG2 3.87Å; L399-A474 HydrophobicContact CD2-CB 4.23Å; L399-W517 HydrophobicContact CD2-CH2 4.2Å; L399-M520 HydrophobicContact CD2-CE 4.22Å; L399-M520 HydrophobicContact CG-CE 4.06Å
400L92.4Very high89Confident46 Ų4654.3 Ų54.324%0.24125%0.254CS..Hα-helixtrans-70.1-31.8173-67.6174.4000112.8R396 R397 S398 L403 S404 M444 E445 L448R396-L400 HydrophobicContact CG-CD1 3.87Å; R396-L400 HydrophobicContact CG-CG 4.41Å; R396-L400 WeakPolarHBondContact O-CB 3.06Å; R396-L400 WeakPolarHBondContact O-CG 3.47Å; R396-L400 PolarHBondContact O-N 2.95Å; R397-L400 PolarHBondContact O-N 3.3Å; S398-L400 PolarHBondContact O-N 3.41Å; L400-L403 HydrophobicContact CD2-CD2 4.26Å; L400-L403 PolarHBondContact O-N 2.89Å; L400-S404 WeakPolarHBondContact O-CB 3.29Å; L400-S404 PolarHBondContact O-N 3.02Å; L400-M444 HydrophobicContact CD2-SD 4.46Å; L400-E445 HydrophobicContact CD2-CG 4.07Å; L400-L448 HydrophobicContact CD2-CD1 3.9Å; L400-L448 HydrophobicContact CG-CD1 3.91Å
401S91.2Very high90.1Very high64 Ų6447.9 Ų47.945%0.44823%0.229SC..Hα-helixtrans-65.9-43.2170.7-167.80000111.1R397 S398 L403 S404 T405R397-S401 WeakPolarHBondContact O-CB 3.35Å; R397-S401 PolarHBondContact O-N 3.44Å; S398-S401 WeakPolarHBondContact O-CB 3.48Å; S398-S401 PolarHBondContact O-N 3.18Å; S401-L403 VanDerWaalsContact C-N 3.34Å; S401-L403 PolarHBondContact O-N 2.32Å; S401-S404 WeakPolarHBondContact O-CB 3.38Å; S401-S404 PolarHBondContact O-N 3.1Å; S401-S404 VanDerWaalsContact O-N 3.11Å; S401-T405 PolarHBondContact O-N 3.16Å; S401-T405 PolarHBondContact O-OG1 3.15Å
402A94.8Very high91.3Very high0 Ų046.8 Ų46.80%022%0.222CC..Hα-helixtrans-59.9-44.5175.100000111.6S398 L399 S404 T405 V406 F477 L513 L516 W517S398-A402 PolarHBondContact O-N 3.33Å; L399-A402 WeakPolarHBondContact O-CB 3.39Å; L399-A402 PolarHBondContact O-N 2.98Å; A402-S404 VanDerWaalsContact C-N 3.31Å; A402-S404 PolarHBondContact O-N 3.01Å; A402-T405 WeakPolarHBondContact O-CB 3.43Å; A402-T405 PolarHBondContact O-N 2.94Å; A402-V406 WeakPolarHBondContact O-CG2 3.37Å; A402-V406 PolarHBondContact O-N 3.46Å; A402-F477 HydrophobicContact CB-CE1 4.09Å; A402-F477 HydrophobicContact CB-CZ 4.05Å; A402-L513 HydrophobicContact CB-CD2 3.46Å; A402-L513 VanDerWaalsContact CB-CD2 3.46Å; A402-L516 HydrophobicContact CB-CD2 4.07Å; A402-W517 HydrophobicContact CB-CZ3 3.82Å
403L95.7Very high92.4Very high7 Ų753.8 Ų53.84%0.03725%0.249CC..Hα-helixtrans-59.3-41.7172.6-178.465.5000112L399 L400 S401 T405 V406 Y407 L440 R441 M444 F477L399-L403 PolarHBondContact O-N 3.26Å; L400-L403 HydrophobicContact CD2-CD2 4.26Å; L400-L403 PolarHBondContact O-N 2.89Å; S401-L403 VanDerWaalsContact C-N 3.34Å; S401-L403 PolarHBondContact O-N 2.32Å; L403-T405 PolarHBondContact O-N 2.89Å; L403-V406 PolarHBondContact O-N 3.08Å; L403-Y407 HydrophobicContact CD1-CD2 3.95Å; L403-Y407 HydrophobicContact CD1-CE2 3.88Å; L403-Y407 HydrophobicContact CG-CD2 4.14Å; L403-Y407 HydrophobicContact CG-CE2 4.3Å; L403-Y407 WeakPolarHBondContact O-CD2 3.4Å; L403-Y407 PolarHBondContact O-N 3.44Å; L403-Y407 VanDerWaalsContact O-N 3.08Å; L403-L440 HydrophobicContact CD1-CD2 3.44Å; L403-L440 VanDerWaalsContact CD1-CD2 3.44Å; L403-R441 HydrophobicContact CD1-CB 4.33Å; L403-R441 HydrophobicContact CD2-CB 4.07Å; L403-R441 HydrophobicContact CD2-CG 4Å; L403-M444 HydrophobicContact CB-SD 3.8Å; L403-M444 HydrophobicContact CD2-SD 3.97Å; L403-M444 HydrophobicContact CG-SD 4.34Å; L403-F477 HydrophobicContact CB-CE2 4.38Å; L403-F477 HydrophobicContact CD1-CE2 4.15Å
404S94.6Very high93.2Very high71 Ų7149.7 Ų49.750%0.49724%0.239SC..Hα-helixtrans-61.3-42.4177.3-1650000112.1L400 S401 A402 V406 Y407 S408L400-S404 WeakPolarHBondContact O-CB 3.29Å; L400-S404 PolarHBondContact O-N 3.02Å; S401-S404 WeakPolarHBondContact O-CB 3.38Å; S401-S404 PolarHBondContact O-N 3.1Å; S401-S404 VanDerWaalsContact O-N 3.11Å; A402-S404 VanDerWaalsContact C-N 3.31Å; A402-S404 PolarHBondContact O-N 3.01Å; S404-V406 VanDerWaalsContact C-N 3.34Å; S404-V406 PolarHBondContact O-N 3.22Å; S404-Y407 CarbonylContact O-C 3.59Å; S404-Y407 WeakPolarHBondContact O-CB 3.33Å; S404-Y407 PolarHBondContact O-N 3.37Å; S404-Y407 VanDerWaalsContact O-N 3.13Å; S404-S408 PolarHBondContact O-N 3.04Å; S404-S408 PolarHBondContact O-OG 3.23Å
405T94.4Very high93.9Very high26 Ų2645.9 Ų45.916%0.1623%0.225CC..Hα-helixtrans-54.5-47.6174.7-68.90000111.9S401 A402 L403 Y407 S408 H409 E512 L513S401-T405 PolarHBondContact O-N 3.16Å; S401-T405 PolarHBondContact O-OG1 3.15Å; A402-T405 WeakPolarHBondContact O-CB 3.43Å; A402-T405 PolarHBondContact O-N 2.94Å; L403-T405 PolarHBondContact O-N 2.89Å; T405-Y407 VanDerWaalsContact C-N 3.33Å; T405-Y407 PolarHBondContact O-N 3.46Å; T405-S408 WeakPolarHBondContact CA-OG 3.21Å; T405-S408 PolarHBondContact O-N 3.49Å; T405-S408 PolarHBondContact O-OG 3.38Å; T405-H409 PolarHBondContact O-N 2.84Å; T405-E512 HydrophobicContact CG2-CB 3.73Å; T405-E512 WeakPolarHBondContact CG2-OE2 3.31Å; T405-L513 HydrophobicContact CG2-CD2 4.24Å; T405-L513 HydrophobicContact CG2-CG 4.5Å
406V96.6Very high94.4Very high0 Ų047.7 Ų47.70%023%0.234CC..Hα-helixtrans-61.1-43.6176.6-170.60000111.1A402 L403 S404 H409 A412 L437 F477 L481 M505 V509A402-V406 WeakPolarHBondContact O-CG2 3.37Å; A402-V406 PolarHBondContact O-N 3.46Å; L403-V406 PolarHBondContact O-N 3.08Å; S404-V406 VanDerWaalsContact C-N 3.34Å; S404-V406 PolarHBondContact O-N 3.22Å; V406-H409 PolarHBondContact O-N 2.96Å; V406-A412 WeakPolarHBondContact O-CB 3.29Å; V406-L437 HydrophobicContact CG1-CD2 3.46Å; V406-L437 VanDerWaalsContact CG1-CD2 3.46Å; V406-F477 HydrophobicContact CG2-CE2 4.28Å; V406-F477 HydrophobicContact CG2-CZ 3.74Å; V406-L481 HydrophobicContact CB-CD2 4.5Å; V406-L481 HydrophobicContact CG1-CD2 3.73Å; V406-L481 HydrophobicContact CG2-CD1 4.07Å; V406-L481 HydrophobicContact CG2-CD2 3.93Å; V406-M505 HydrophobicContact CG1-CE 3.51Å; V406-M505 WeakPolarHBondContact O-CE 3.35Å; V406-V509 HydrophobicContact CG2-CG1 3.83Å
407Y96.4Very high94.8Very high57 Ų5751 Ų5122%0.22425%0.251CS..Hα-helixtrans-68.2-30.7-179.3-99.7-99.6000114L403 S404 T405 H409 M416 L437 T438 R441L403-Y407 HydrophobicContact CD1-CD2 3.95Å; L403-Y407 HydrophobicContact CD1-CE2 3.88Å; L403-Y407 HydrophobicContact CG-CD2 4.14Å; L403-Y407 HydrophobicContact CG-CE2 4.3Å; L403-Y407 WeakPolarHBondContact O-CD2 3.4Å; L403-Y407 PolarHBondContact O-N 3.44Å; L403-Y407 VanDerWaalsContact O-N 3.08Å; S404-Y407 CarbonylContact O-C 3.59Å; S404-Y407 WeakPolarHBondContact O-CB 3.33Å; S404-Y407 PolarHBondContact O-N 3.37Å; S404-Y407 VanDerWaalsContact O-N 3.13Å; T405-Y407 VanDerWaalsContact C-N 3.33Å; T405-Y407 PolarHBondContact O-N 3.46Å; Y407-H409 VanDerWaalsContact C-N 3.34Å; Y407-M416 HydrophobicContact CD1-SD 4.01Å; Y407-M416 HydrophobicContact CE1-CE 3.82Å; Y407-M416 HydrophobicContact CE1-SD 3.53Å; Y407-M416 VanDerWaalsContact CE1-SD 3.53Å; Y407-L437 HydrophobicContact CE2-CB 3.83Å; Y407-L437 PolarHBondContact OH-O 3.38Å; Y407-T438 WeakPolarHBondContact OH-CA 3.42Å; Y407-T438 PolarHBondContact OH-N 3.43Å; Y407-R441 HydrophobicContact CE2-CB 3.83Å; Y407-R441 VanDerWaalsContact OH-CB 3.29Å; Y407-R441 WeakPolarHBondContact OH-CB 3.25Å; Y407-R441 WeakPolarHBondContact OH-CD 3.29Å
408S95.5Very high95.2Very high86 Ų8647.6 Ų47.660%0.60125%0.249SC*.Hα-helixtrans-82.5-8178.150.30000114.2S404 T405S404-S408 PolarHBondContact O-N 3.04Å; S404-S408 PolarHBondContact O-OG 3.23Å; T405-S408 WeakPolarHBondContact CA-OG 3.21Å; T405-S408 PolarHBondContact O-N 3.49Å; T405-S408 PolarHBondContact O-OG 3.38Å
409H97.2Very high95.4Very high17 Ų1749.6 Ų49.68%0.07926%0.261CS..SBendtrans-67.2139.5-177.4-173.5-97.6000112.1T405 V406 Y407 H411 A412 M505 D508 V509T405-H409 PolarHBondContact O-N 2.84Å; V406-H409 PolarHBondContact O-N 2.96Å; Y407-H409 VanDerWaalsContact C-N 3.34Å; H409-H411 AromaticContact CE1-CD2 3.6Å; H409-H411 AromaticContact CE1-CG 3.79Å; H409-H411 PolarHBondContact ND1-N 2.98Å; H409-H411 VanDerWaalsContact ND1-N 3.19Å; H409-H411 PolarHBondContact O-N 3.49Å; H409-A412 WeakPolarHBondContact O-CB 3.49Å; H409-A412 PolarHBondContact O-N 3.32Å; H409-M505 HydrophobicContact CB-CE 4.02Å; H409-M505 HydrophobicContact CB-CG 4.34Å; H409-M505 HydrophobicContact CB-SD 4.26Å; H409-M505 WeakPolarHBondContact ND1-CG 3.2Å; H409-M505 PolarHBondContact ND1-SD 2.88Å; H409-M505 VanDerWaalsContact ND1-SD 3.44Å; H409-D508 IonicContact NE2-OD2 3.61Å; H409-D508 PolarHBondContact NE2-OD2 3.44Å; H409-V509 HydrophobicContact CB-CG2 4.3Å
410R97.2Very high95.4Very high136 Ų13652.4 Ų52.451%0.51328%0.278SS..THydrogen-bonded Turntrans-51.1-29.1-177.957.4-174170.51088.6115.5E504 D508R410-E504 IonicContact CZ-OE2 3.25Å; R410-E504 VanDerWaalsContact CZ-OE2 3.25Å; R410-E504 IonicContact NH1-OE2 2.74Å; R410-E504 PolarHBondContact NH1-OE2 3.38Å; R410-E504 IonicContact NH2-OE2 2.94Å; R410-E504 PolarHBondContact NH2-OE2 2.89Å; R410-D508 IonicContact CZ-OD2 2.74Å; R410-D508 IonicContact NE-OD2 3.86Å; R410-D508 IonicContact NH2-OD2 3.64Å; R410-D508 PolarHBondContact NH2-OD2 3.19Å
411H97.1Very high95.4Very high14 Ų1454.5 Ų54.57%0.06529%0.286CS..THydrogen-bonded Turntrans-98-1.7179.4-59.6-28.6000114.2H409 Y413 V414 F415 M501 E504 M505H409-H411 AromaticContact CE1-CD2 3.6Å; H409-H411 AromaticContact CE1-CG 3.79Å; H409-H411 PolarHBondContact ND1-N 2.98Å; H409-H411 VanDerWaalsContact ND1-N 3.19Å; H409-H411 PolarHBondContact O-N 3.49Å; H411-Y413 PolarHBondContact O-N 3.4Å; H411-Y413 VanDerWaalsContact O-N 3.09Å; H411-V414 PolarHBondContact O-N 3.25Å; H411-V414 VanDerWaalsContact O-N 3.16Å; H411-F415 HydrophobicContact CB-CE2 4.46Å; H411-F415 WeakPolarHBondContact O-CD2 3.49Å; H411-M501 HydrophobicContact CB-CB 4.12Å; H411-M501 HydrophobicContact CB-CG 4.46Å; H411-M501 HydrophobicContact CB-SD 4.48Å; H411-M501 PolarHBondContact CD2-O 3.06Å; H411-E504 IonicContact CD2-OE2 3.85Å; H411-E504 IonicContact CE1-OE2 3.7Å; H411-E504 IonicContact NE2-OE2 2.82Å; H411-E504 PolarHBondContact NE2-OE2 3.19Å; H411-M505 HydrophobicContact CB-CB 4.33Å; H411-M505 HydrophobicContact CB-SD 4.1Å
412A97Very high95.4Very high4 Ų457.8 Ų57.83%0.03330%0.299CS..G310 helixtrans-56.8-31.1-172.800000113.3V406 H409 V414 F415 M416 L437 M505V406-A412 WeakPolarHBondContact O-CB 3.29Å; H409-A412 WeakPolarHBondContact O-CB 3.49Å; H409-A412 PolarHBondContact O-N 3.32Å; A412-V414 PolarHBondContact O-N 2.83Å; A412-V414 VanDerWaalsContact O-N 3.16Å; A412-F415 CarbonylContact O-C 3.59Å; A412-F415 PolarHBondContact O-N 2.97Å; A412-M416 PolarHBondContact O-N 2.93Å; A412-L437 HydrophobicContact CB-CD1 3.8Å; A412-L437 WeakPolarHBondContact O-CD1 3.25Å; A412-M505 HydrophobicContact CB-CE 4.07Å
413Y96.1Very high95.3Very high150 Ų15063.9 Ų63.959%0.58833%0.33SS*.G310 helixtrans-54.5-33.7179.378.1-86.7000113.7H411 F415 M416H411-Y413 PolarHBondContact O-N 3.4Å; H411-Y413 VanDerWaalsContact O-N 3.09Å; Y413-F415 PolarHBondContact O-N 3.3Å; Y413-M416 PolarHBondContact O-N 3.4Å
414V96Very high95.1Very high43 Ų4363.9 Ų63.926%0.26133%0.331SS..G310 helixtrans-67.5-28178.7-174.10000111.8H411 A412 V498 M501H411-V414 PolarHBondContact O-N 3.25Å; H411-V414 VanDerWaalsContact O-N 3.16Å; A412-V414 PolarHBondContact O-N 2.83Å; A412-V414 VanDerWaalsContact O-N 3.16Å; V414-V498 HydrophobicContact CG1-CG1 3.92Å; V414-V498 HydrophobicContact CG1-CG2 3.99Å; V414-M501 HydrophobicContact CG1-CE 4.49Å; V414-M501 HydrophobicContact CG2-CE 3.61Å; V414-M501 HydrophobicContact CG2-SD 3.88Å
415F97.3Very high95.1Very high13 Ų1365 Ų656%0.05734%0.337CS..G310 helixtrans-103.23.3-176.2-52.8-84.3000112.4H411 A412 Y413 H417 D436 L437 M484 F485 A488 A502 M505H411-F415 HydrophobicContact CB-CE2 4.46Å; H411-F415 WeakPolarHBondContact O-CD2 3.49Å; A412-F415 CarbonylContact O-C 3.59Å; A412-F415 PolarHBondContact O-N 2.97Å; Y413-F415 PolarHBondContact O-N 3.3Å; F415-H417 PolarHBondContact O-N 2.72Å; F415-D436 CarbonylContact O-C 3.56Å; F415-D436 WeakPolarHBondContact O-CA 3.4Å; F415-L437 HydrophobicContact CB-CD1 4.09Å; F415-L437 HydrophobicContact CB-CG 3.96Å; F415-L437 WeakPolarHBondContact O-CG 3.24Å; F415-L437 PolarHBondContact O-N 2.94Å; F415-M484 HydrophobicContact CB-CE 4.28Å; F415-M484 HydrophobicContact CB-CG 4.27Å; F415-M484 HydrophobicContact CB-SD 3.72Å; F415-M484 HydrophobicContact CD1-CE 4.26Å; F415-M484 HydrophobicContact CD1-CG 3.63Å; F415-M484 HydrophobicContact CD1-SD 4.1Å; F415-M484 HydrophobicContact CE1-CG 4.39Å; F415-M484 HydrophobicContact CG-CE 4.18Å; F415-M484 HydrophobicContact CG-CG 4.25Å; F415-M484 HydrophobicContact CG-SD 4.1Å; F415-F485 HydrophobicContact CE1-CD1 4.39Å; F415-F485 HydrophobicContact CZ-CD1 4.38Å; F415-A488 HydrophobicContact CE1-CB 3.79Å; F415-A488 HydrophobicContact CZ-CB 4.49Å; F415-A502 HydrophobicContact CE1-CB 4.3Å; F415-A502 HydrophobicContact CZ-CB 3.9Å; F415-M505 HydrophobicContact CD2-CE 4.47Å; F415-M505 HydrophobicContact CD2-SD 3.64Å; F415-M505 HydrophobicContact CE2-SD 3.68Å
416M95.8Very high94.9Very high43 Ų4364.9 Ų64.921%0.21234%0.34CS..SBendtrans-66.6-33.1-168.6-94-58.5-54.200114.4Y407 A412 Y413 L437 T438Y407-M416 HydrophobicContact CD1-SD 4.01Å; Y407-M416 HydrophobicContact CE1-CE 3.82Å; Y407-M416 HydrophobicContact CE1-SD 3.53Å; Y407-M416 VanDerWaalsContact CE1-SD 3.53Å; A412-M416 PolarHBondContact O-N 2.93Å; Y413-M416 PolarHBondContact O-N 3.4Å; M416-L437 HydrophobicContact SD-CB 4.1Å; M416-L437 HydrophobicContact SD-CD1 4.04Å; M416-T438 VanDerWaalsContact O-CB 3.27Å; M416-T438 WeakPolarHBondContact O-CB 3Å; M416-T438 PolarHBondContact O-N 3.44Å; M416-T438 PolarHBondContact O-OG1 3.37Å
417H95.8Very high94.8Very high127 Ų12765.8 Ų65.859%0.58834%0.344SS*.SBendtrans-130.6156.2-170.2-59.9-43.7000111.6F415 V419 D436F415-H417 PolarHBondContact O-N 2.72Å; H417-V419 PolarHBondContact O-N 2.84Å; H417-D436 VanDerWaalsContact C-CB 3.42Å; H417-D436 WeakPolarHBondContact O-CB 3.2Å
418P95.3Very high94.4Very high81 Ų8166.6 Ų66.653%0.52636%0.358SS..  trans-55.4133.4173.6-24.334.2000111.3T420P418-T420 PolarHBondContact O-N 2.99Å
419V94.4Very high94.2Very high57 Ų5767 Ų6735%0.34536%0.357SS..  trans-69.9127.8179.6-178.10000110H417 A424 Y427H417-V419 PolarHBondContact O-N 2.84Å; V419-A424 HydrophobicContact CG1-CB 3.46Å; V419-A424 VanDerWaalsContact CG1-CB 3.46Å; V419-Y427 HydrophobicContact CB-CD1 3.87Å; V419-Y427 HydrophobicContact CB-CE1 3.75Å; V419-Y427 HydrophobicContact CB-CE2 4.42Å; V419-Y427 HydrophobicContact CB-CG 4.26Å; V419-Y427 HydrophobicContact CG1-CD1 3.82Å; V419-Y427 HydrophobicContact CG1-CD2 3.89Å; V419-Y427 HydrophobicContact CG1-CE1 4.11Å; V419-Y427 HydrophobicContact CG1-CE2 4.18Å; V419-Y427 HydrophobicContact CG1-CG 3.7Å; V419-Y427 HydrophobicContact CG2-CE1 4.03Å; V419-Y427 HydrophobicContact CG2-CE2 4.22Å
420T93.6Very high93.8Very high59 Ų5969 Ų6936%0.36237%0.37SS..  trans-106.1157.3177.757.40000111.4P418 D422 I423 A424P418-T420 PolarHBondContact O-N 2.99Å; T420-D422 WeakPolarHBondContact CB-OD1 3.32Å; T420-D422 PolarHBondContact O-N 3.05Å; T420-D422 PolarHBondContact OG1-OD1 3.36Å; T420-I423 PolarHBondContact O-N 3.37Å; T420-I423 WeakPolarHBondContact OG1-CD1 3.41Å; T420-I423 WeakPolarHBondContact OG1-CG1 3.43Å; T420-A424 PolarHBondContact O-N 3.3Å
421E90.6Very high93.4Very high89 Ų8962.7 Ų62.742%0.41635%0.347SS..THydrogen-bonded Turntrans-67.7-18.1-174.6-68-71.1145.400113.8P425 G426 S428E421-P425 WeakPolarHBondContact O-CA 3.38Å; E421-P425 WeakPolarHBondContact O-CG 3.46Å; E421-G426 WeakPolarHBondContact OE2-CA 3.37Å; E421-G426 PolarHBondContact OE2-N 2.8Å; E421-S428 WeakPolarHBondContact OE1-CB 3.22Å; E421-S428 PolarHBondContact OE1-N 3.01Å; E421-S428 VanDerWaalsContact OE1-N 3.12Å; E421-S428 PolarHBondContact OE1-OG 3.31Å
422D93.1Very high93Very high134 Ų13471.4 Ų71.472%0.71738%0.38SS*.THydrogen-bonded Turntrans-77.8-30170.760.1-63.9000113.1T420T420-D422 WeakPolarHBondContact CB-OD1 3.32Å; T420-D422 PolarHBondContact O-N 3.05Å; T420-D422 PolarHBondContact OG1-OD1 3.36Å
423I91.2Very high92.7Very high127 Ų12776.9 Ų76.965%0.65141%0.405SS*.THydrogen-bonded Turntrans-81.6-38.9174.7-62.2174000110.5T420T420-I423 PolarHBondContact O-N 3.37Å; T420-I423 WeakPolarHBondContact OG1-CD1 3.41Å; T420-I423 WeakPolarHBondContact OG1-CG1 3.43Å
424A91.5Very high92.6Very high8 Ų873.1 Ų73.17%0.06640%0.399CS..SBendtrans-141.988-176.900000111.4V419 T420 G426 Y427 Y491V419-A424 HydrophobicContact CG1-CB 3.46Å; V419-A424 VanDerWaalsContact CG1-CB 3.46Å; T420-A424 PolarHBondContact O-N 3.3Å; A424-G426 PolarHBondContact O-N 2.97Å; A424-Y427 HydrophobicContact CB-CD2 4.07Å; A424-Y427 HydrophobicContact CB-CG 4.21Å; A424-Y427 WeakPolarHBondContact O-CB 3.38Å; A424-Y427 PolarHBondContact O-N 3.25Å; A424-Y427 VanDerWaalsContact O-N 3.09Å; A424-Y491 VanDerWaalsContact C-OH 3.31Å; A424-Y491 WeakPolarHBondContact CA-OH 3.21Å; A424-Y491 HydrophobicContact CB-CE1 3.78Å
425P94.3Very high92.4Very high95 Ų9571.9 Ų71.962%0.61739%0.392SS*.THydrogen-bonded Turntrans-61123.5-177.7-25.834.9000113.4E421 Y427 Y491E421-P425 WeakPolarHBondContact O-CA 3.38Å; E421-P425 WeakPolarHBondContact O-CG 3.46Å; P425-Y427 VanDerWaalsContact C-N 3.34Å; P425-Y491 PolarHBondContact O-OH 3.1Å; P425-Y491 VanDerWaalsContact O-OH 3.12Å
426G91.4Very high92.4Very high22 Ų2271.8 Ų71.823%0.22739%0.392CS..THydrogen-bonded Turntrans81.56.3-178.200000114.5E421 A424 S428 T429E421-G426 WeakPolarHBondContact OE2-CA 3.37Å; E421-G426 PolarHBondContact OE2-N 2.8Å; A424-G426 PolarHBondContact O-N 2.97Å; G426-S428 VanDerWaalsContact C-N 3.28Å; G426-S428 PolarHBondContact O-N 3.23Å; G426-T429 WeakPolarHBondContact O-CB 3.31Å; G426-T429 PolarHBondContact O-N 3.06Å; G426-T429 PolarHBondContact O-OG1 2.9Å
427Y93.4Very high92.5Very high20 Ų2069.8 Ų69.88%0.07838%0.382CS..Hα-helixtrans-54.5-42.7-178.6-176.3-91.8000112.4V419 A424 P425 T429 V430 V431 P434 Y491V419-Y427 HydrophobicContact CB-CD1 3.87Å; V419-Y427 HydrophobicContact CB-CE1 3.75Å; V419-Y427 HydrophobicContact CB-CE2 4.42Å; V419-Y427 HydrophobicContact CB-CG 4.26Å; V419-Y427 HydrophobicContact CG1-CD1 3.82Å; V419-Y427 HydrophobicContact CG1-CD2 3.89Å; V419-Y427 HydrophobicContact CG1-CE1 4.11Å; V419-Y427 HydrophobicContact CG1-CE2 4.18Å; V419-Y427 HydrophobicContact CG1-CG 3.7Å; V419-Y427 HydrophobicContact CG2-CE1 4.03Å; V419-Y427 HydrophobicContact CG2-CE2 4.22Å; A424-Y427 HydrophobicContact CB-CD2 4.07Å; A424-Y427 HydrophobicContact CB-CG 4.21Å; A424-Y427 WeakPolarHBondContact O-CB 3.38Å; A424-Y427 PolarHBondContact O-N 3.25Å; A424-Y427 VanDerWaalsContact O-N 3.09Å; P425-Y427 VanDerWaalsContact C-N 3.34Å; Y427-T429 PolarHBondContact O-N 2.77Å; Y427-T429 VanDerWaalsContact O-N 3.13Å; Y427-V430 PolarHBondContact O-N 3.49Å; Y427-V430 VanDerWaalsContact O-N 3.08Å; Y427-V431 HydrophobicContact CD1-CB 4.07Å; Y427-V431 HydrophobicContact CD2-CG2 4.32Å; Y427-V431 HydrophobicContact CE1-CB 3.68Å; Y427-V431 HydrophobicContact CE1-CG1 3.69Å; Y427-V431 HydrophobicContact CE1-CG2 4.1Å; Y427-V431 HydrophobicContact CE2-CB 4.37Å; Y427-V431 HydrophobicContact CE2-CG2 3.87Å; Y427-V431 PolarHBondContact O-N 2.96Å; Y427-P434 HydrophobicContact CE1-CB 4.21Å; Y427-Y491 AromaticContact CD2-CD1 3.81Å; Y427-Y491 HydrophobicContact CD2-CD1 3.81Å; Y427-Y491 AromaticContact CD2-CD2 3.7Å; Y427-Y491 HydrophobicContact CD2-CD2 3.7Å; Y427-Y491 HydrophobicContact CD2-CE1 4.2Å; Y427-Y491 HydrophobicContact CD2-CE2 4.09Å; Y427-Y491 AromaticContact CD2-CG 3.55Å; Y427-Y491 HydrophobicContact CD2-CG 3.55Å; Y427-Y491 HydrophobicContact CE2-CD1 4.3Å; Y427-Y491 HydrophobicContact CE2-CG 4.06Å; Y427-Y491 HydrophobicContact CG-CD2 4.36Å
428S89.7Confident92.4Very high73 Ų7365.5 Ų65.551%0.5137%0.365SS..Hα-helixtrans-64.1-13.817760.80000115E421 G426E421-S428 WeakPolarHBondContact OE1-CB 3.22Å; E421-S428 PolarHBondContact OE1-N 3.01Å; E421-S428 VanDerWaalsContact OE1-N 3.12Å; E421-S428 PolarHBondContact OE1-OG 3.31Å; G426-S428 VanDerWaalsContact C-N 3.28Å; G426-S428 PolarHBondContact O-N 3.23Å
429T90.8Very high92.3Very high94 Ų9462.5 Ų62.558%0.57735%0.346SS*.Hα-helixtrans-88.9-16.2175.874.60000113.4G426 Y427G426-T429 WeakPolarHBondContact O-CB 3.31Å; G426-T429 PolarHBondContact O-N 3.06Å; G426-T429 PolarHBondContact O-OG1 2.9Å; Y427-T429 PolarHBondContact O-N 2.77Å; Y427-T429 VanDerWaalsContact O-N 3.13Å
430V87.6Confident92.3Very high59 Ų5959.9 Ų59.936%0.35833%0.33SS..Hα-helixtrans-108.9-37.8-179.6-177.80000111.3Y427 M490 Y491Y427-V430 PolarHBondContact O-N 3.49Å; Y427-V430 VanDerWaalsContact O-N 3.08Å; V430-M490 HydrophobicContact CG1-CG 4.34Å; V430-Y491 HydrophobicContact CB-CD2 4.3Å; V430-Y491 HydrophobicContact CG2-CD2 4.38Å
431V88.6Confident92.4Very high4 Ų462.2 Ų62.22%0.02433%0.332CS..  trans-108.9100.9-176.8174.40000110Y427 P434 N487 M490Y427-V431 HydrophobicContact CD1-CB 4.07Å; Y427-V431 HydrophobicContact CD2-CG2 4.32Å; Y427-V431 HydrophobicContact CE1-CB 3.68Å; Y427-V431 HydrophobicContact CE1-CG1 3.69Å; Y427-V431 HydrophobicContact CE1-CG2 4.1Å; Y427-V431 HydrophobicContact CE2-CB 4.37Å; Y427-V431 HydrophobicContact CE2-CG2 3.87Å; Y427-V431 PolarHBondContact O-N 2.96Å; V431-P434 HydrophobicContact CG1-CB 4.25Å; V431-N487 HydrophobicContact CG1-CB 3.95Å; V431-N487 WeakPolarHBondContact CG1-ND2 3.21Å; V431-N487 WeakPolarHBondContact CG1-OD1 3.39Å; V431-N487 HydrophobicContact CG2-CB 3.98Å; V431-M490 HydrophobicContact CG2-CE 4.05Å
432Y90Very high92.5Very high197 Ų19765.2 Ų65.277%0.77334%0.34SS*.SBendtrans-79-28.1-179.8-55.5-64.2000113.7P434Y432-P434 WeakPolarHBondContact O-CD 3.35Å
433E89.6Confident92.2Very high119 Ų11963.2 Ų63.256%0.55632%0.322SS*.SBendtrans-120.879.7178.4-63.1-165.1161.600110.5L483 N487E433-L483 HydrophobicContact CB-CD2 3.87Å; E433-N487 PolarHBondContact O-ND2 3.47Å
434P93.7Very high92.2Very high72 Ų7257.5 Ų57.547%0.46829%0.292SS..  trans-68.9141.7178.328.7-35.7000111.8Y427 V431 Y432Y427-P434 HydrophobicContact CE1-CB 4.21Å; V431-P434 HydrophobicContact CG1-CB 4.25Å; Y432-P434 WeakPolarHBondContact O-CD 3.35Å
435V93.6Very high92.1Very high17 Ų1760.4 Ų60.410%0.10331%0.305CS..  trans-134.2132174.4177.40000109.8L440 D480 L483 M484V435-L440 HydrophobicContact CG1-CD1 4.37Å; V435-D480 HydrophobicContact CG1-CB 4.17Å; V435-D480 WeakPolarHBondContact CG1-O 3.06Å; V435-L483 HydrophobicContact CG2-CB 4.33Å; V435-L483 HydrophobicContact CG2-CD2 3.62Å; V435-L483 HydrophobicContact CG2-CG 3.89Å; V435-M484 HydrophobicContact CB-CB 4.09Å; V435-M484 HydrophobicContact CG1-CB 3.99Å
436D96.4Very high91.7Very high11 Ų1158.7 Ų58.76%0.05930%0.295CS..  trans-127.7157.3173.767.3105.2000110.2F415 H417 T438 S439 L440F415-D436 CarbonylContact O-C 3.56Å; F415-D436 WeakPolarHBondContact O-CA 3.4Å; H417-D436 VanDerWaalsContact C-CB 3.42Å; H417-D436 WeakPolarHBondContact O-CB 3.2Å; D436-T438 VanDerWaalsContact C-N 3.34Å; D436-T438 PolarHBondContact O-N 2.85Å; D436-T438 WeakPolarHBondContact OD1-CA 3.41Å; D436-T438 VanDerWaalsContact OD1-CB 3.29Å; D436-T438 WeakPolarHBondContact OD1-CB 3.48Å; D436-T438 PolarHBondContact OD1-N 3.18Å; D436-T438 VanDerWaalsContact OD1-N 3.15Å; D436-S439 PolarHBondContact O-N 2.9Å; D436-S439 PolarHBondContact O-OG 3.1Å; D436-S439 PolarHBondContact OD1-N 3.49Å; D436-S439 WeakPolarHBondContact OD2-CB 3.45Å; D436-S439 PolarHBondContact OD2-OG 3.41Å; D436-L440 VanDerWaalsContact O-CB 3.31Å; D436-L440 WeakPolarHBondContact O-CB 3.4Å; D436-L440 PolarHBondContact O-N 2.67Å
437L97.3Very high91.4Very high0 Ų059.2 Ų59.20%030%0.295CS..Hα-helixtrans-62.5-38.7-179-63.9177.2000112.3V406 Y407 A412 F415 M416 S439 L440 R441 M484V406-L437 HydrophobicContact CG1-CD2 3.46Å; V406-L437 VanDerWaalsContact CG1-CD2 3.46Å; Y407-L437 HydrophobicContact CE2-CB 3.83Å; Y407-L437 PolarHBondContact OH-O 3.38Å; A412-L437 HydrophobicContact CB-CD1 3.8Å; A412-L437 WeakPolarHBondContact O-CD1 3.25Å; F415-L437 HydrophobicContact CB-CD1 4.09Å; F415-L437 HydrophobicContact CB-CG 3.96Å; F415-L437 WeakPolarHBondContact O-CG 3.24Å; F415-L437 PolarHBondContact O-N 2.94Å; M416-L437 HydrophobicContact SD-CB 4.1Å; M416-L437 HydrophobicContact SD-CD1 4.04Å; L437-S439 PolarHBondContact O-N 3.38Å; L437-L440 PolarHBondContact O-N 3.49Å; L437-R441 VanDerWaalsContact O-CB 3.29Å; L437-R441 WeakPolarHBondContact O-CB 3.34Å; L437-R441 PolarHBondContact O-N 3.12Å; L437-M484 HydrophobicContact CD2-CE 3.93Å; L437-M484 HydrophobicContact CD2-SD 3.6Å; L437-M484 HydrophobicContact CG-SD 4.03Å
438T95.4Very high90.9Very high38 Ų3858.2 Ų58.223%0.23329%0.291CS..Hα-helixtrans-62.8-42.5179.7-65.20000111.8Y407 M416 D436 R442Y407-T438 WeakPolarHBondContact OH-CA 3.42Å; Y407-T438 PolarHBondContact OH-N 3.43Å; M416-T438 VanDerWaalsContact O-CB 3.27Å; M416-T438 WeakPolarHBondContact O-CB 3Å; M416-T438 PolarHBondContact O-N 3.44Å; M416-T438 PolarHBondContact O-OG1 3.37Å; D436-T438 VanDerWaalsContact C-N 3.34Å; D436-T438 PolarHBondContact O-N 2.85Å; D436-T438 WeakPolarHBondContact OD1-CA 3.41Å; D436-T438 VanDerWaalsContact OD1-CB 3.29Å; D436-T438 WeakPolarHBondContact OD1-CB 3.48Å; D436-T438 PolarHBondContact OD1-N 3.18Å; D436-T438 VanDerWaalsContact OD1-N 3.15Å; T438-R442 WeakPolarHBondContact O-CB 3.42Å; T438-R442 PolarHBondContact O-N 2.9Å; T438-R442 VanDerWaalsContact O-N 3.1Å
439S93.2Very high90.5Very high17 Ų1757 Ų5712%0.11928%0.282CS..Hα-helixtrans-73.8-35.5175.477.30000112.8D436 L437 R442 R443D436-S439 PolarHBondContact O-N 2.9Å; D436-S439 PolarHBondContact O-OG 3.1Å; D436-S439 PolarHBondContact OD1-N 3.49Å; D436-S439 WeakPolarHBondContact OD2-CB 3.45Å; D436-S439 PolarHBondContact OD2-OG 3.41Å; L437-S439 PolarHBondContact O-N 3.38Å; S439-R442 PolarHBondContact O-N 2.72Å; S439-R443 VanDerWaalsContact C-NH1 3.29Å; S439-R443 WeakPolarHBondContact O-CG 3.36Å; S439-R443 PolarHBondContact O-N 2.65Å; S439-R443 PolarHBondContact O-NH1 3.33Å; S439-R443 PolarHBondContact OG-NH1 3.16Å
440L94.2Very high89.6Confident3 Ų359.6 Ų59.62%0.01628%0.283CS..Hα-helixtrans-61.6-48.3174.2-174.5165.9000111.2L403 V435 D436 L437 R443 M444 F477 D480 L481L403-L440 HydrophobicContact CD1-CD2 3.44Å; L403-L440 VanDerWaalsContact CD1-CD2 3.44Å; V435-L440 HydrophobicContact CG1-CD1 4.37Å; D436-L440 VanDerWaalsContact O-CB 3.31Å; D436-L440 WeakPolarHBondContact O-CB 3.4Å; D436-L440 PolarHBondContact O-N 2.67Å; L437-L440 PolarHBondContact O-N 3.49Å; L440-R443 PolarHBondContact O-N 3.09Å; L440-M444 PolarHBondContact O-N 2.77Å; L440-F477 HydrophobicContact CD2-CD2 3.79Å; L440-F477 HydrophobicContact CD2-CE2 3.91Å; L440-D480 HydrophobicContact CD1-CB 3.85Å; L440-D480 HydrophobicContact CG-CB 4.17Å; L440-L481 HydrophobicContact CD1-CD2 3.87Å; L440-L481 HydrophobicContact CD1-CG 4.3Å
441R94.7Very high88.7Confident107 Ų10758 Ų5840%0.40427%0.272SS..Hα-helixtrans-56.3-51.1172.9168.9166.4-175170.89.6111.7L403 Y407 L437 R443 M444 E445L403-R441 HydrophobicContact CD1-CB 4.33Å; L403-R441 HydrophobicContact CD2-CB 4.07Å; L403-R441 HydrophobicContact CD2-CG 4Å; Y407-R441 HydrophobicContact CE2-CB 3.83Å; Y407-R441 VanDerWaalsContact OH-CB 3.29Å; Y407-R441 WeakPolarHBondContact OH-CB 3.25Å; Y407-R441 WeakPolarHBondContact OH-CD 3.29Å; L437-R441 VanDerWaalsContact O-CB 3.29Å; L437-R441 WeakPolarHBondContact O-CB 3.34Å; L437-R441 PolarHBondContact O-N 3.12Å; R441-R443 VanDerWaalsContact C-N 3.31Å; R441-R443 PolarHBondContact O-N 2.88Å; R441-M444 PolarHBondContact O-N 3.4Å; R441-M444 VanDerWaalsContact O-N 3.12Å; R441-E445 HydrophobicContact CG-CG 4.24Å; R441-E445 VanDerWaalsContact CG-OE2 3.24Å; R441-E445 WeakPolarHBondContact CG-OE2 3.44Å; R441-E445 IonicContact CZ-OE1 3.29Å; R441-E445 VanDerWaalsContact CZ-OE1 3.27Å; R441-E445 IonicContact CZ-OE2 2.67Å; R441-E445 IonicContact NE-OE1 2.72Å; R441-E445 PolarHBondContact NE-OE1 3Å; R441-E445 IonicContact NE-OE2 3.41Å; R441-E445 PolarHBondContact NE-OE2 2.88Å; R441-E445 IonicContact NH2-OE1 2.92Å; R441-E445 PolarHBondContact NH2-OE1 3.3Å; R441-E445 IonicContact NH2-OE2 2.65Å; R441-E445 PolarHBondContact O-N 2.63Å
442R92.3Very high87.7Confident153 Ų15361.5 Ų61.558%0.57729%0.29SS*.Hα-helixtrans-57.7-43.2179-168.4-172.2-61.5111.2-2111.7T438 S439 S446T438-R442 WeakPolarHBondContact O-CB 3.42Å; T438-R442 PolarHBondContact O-N 2.9Å; T438-R442 VanDerWaalsContact O-N 3.1Å; S439-R442 PolarHBondContact O-N 2.72Å; R442-S446 WeakPolarHBondContact O-CB 3.31Å; R442-S446 PolarHBondContact O-N 2.89Å; R442-S446 VanDerWaalsContact O-N 3.15Å
443R88.6Confident86.2Confident91 Ų9155.2 Ų55.234%0.34328%0.275SS..Hα-helixtrans-61.3-45.9174.4-76-170.1-63.5-76.62.1111.9S439 L440 R441 S447 D480S439-R443 VanDerWaalsContact C-NH1 3.29Å; S439-R443 WeakPolarHBondContact O-CG 3.36Å; S439-R443 PolarHBondContact O-N 2.65Å; S439-R443 PolarHBondContact O-NH1 3.33Å; S439-R443 PolarHBondContact OG-NH1 3.16Å; L440-R443 PolarHBondContact O-N 3.09Å; R441-R443 VanDerWaalsContact C-N 3.31Å; R441-R443 PolarHBondContact O-N 2.88Å; R443-S447 WeakPolarHBondContact O-CB 3.49Å; R443-S447 PolarHBondContact O-N 2.94Å; R443-S447 PolarHBondContact O-OG 2.85Å; R443-D480 IonicContact CZ-OD2 2.9Å; R443-D480 IonicContact NE-OD2 2.72Å; R443-D480 PolarHBondContact NE-OD2 2.98Å; R443-D480 IonicContact NH2-OD2 3.27Å; R443-D480 PolarHBondContact NH2-OD2 3.07Å
444M90.7Very high84.2Confident7 Ų755.4 Ų55.43%0.03429%0.289CS..Hα-helixtrans-68.7-50.3-179.3178.6174.4-80.800112.7L399 L400 L403 L440 R441 S446 S447 L448 I473 F477L399-M444 HydrophobicContact CB-CE 4.12Å; L399-M444 HydrophobicContact CB-SD 4.16Å; L399-M444 HydrophobicContact CD2-CE 4.35Å; L399-M444 VanDerWaalsContact O-SD 3.37Å; L400-M444 HydrophobicContact CD2-SD 4.46Å; L403-M444 HydrophobicContact CB-SD 3.8Å; L403-M444 HydrophobicContact CD2-SD 3.97Å; L403-M444 HydrophobicContact CG-SD 4.34Å; L440-M444 PolarHBondContact O-N 2.77Å; R441-M444 PolarHBondContact O-N 3.4Å; R441-M444 VanDerWaalsContact O-N 3.12Å; M444-S446 VanDerWaalsContact C-N 3.29Å; M444-S446 PolarHBondContact O-N 3.48Å; M444-S447 PolarHBondContact O-N 3.39Å; M444-L448 HydrophobicContact CG-CD1 3.49Å; M444-L448 VanDerWaalsContact CG-CD1 3.49Å; M444-L448 HydrophobicContact CG-CG 4.17Å; M444-L448 WeakPolarHBondContact O-CB 3.08Å; M444-L448 VanDerWaalsContact O-CG 3.29Å; M444-L448 WeakPolarHBondContact O-CG 3.29Å; M444-L448 PolarHBondContact O-N 3.28Å; M444-L448 HydrophobicContact SD-CD1 4.12Å; M444-I473 HydrophobicContact CE-CG2 4.07Å; M444-I473 HydrophobicContact CG-CG2 4.27Å; M444-F477 HydrophobicContact CE-CB 3.82Å; M444-F477 HydrophobicContact CE-CD2 3.27Å; M444-F477 HydrophobicContact CE-CE2 3.87Å; M444-F477 HydrophobicContact CE-CG 3.66Å; M444-F477 HydrophobicContact SD-CD2 4.49Å
445E89Confident81.8Confident69 Ų6960.4 Ų60.432%0.32231%0.306SS..Hα-helixtrans-61-39.2-179.1-72.9176.2147.200111.5L400 R441 S449L400-E445 HydrophobicContact CD2-CG 4.07Å; R441-E445 HydrophobicContact CG-CG 4.24Å; R441-E445 VanDerWaalsContact CG-OE2 3.24Å; R441-E445 WeakPolarHBondContact CG-OE2 3.44Å; R441-E445 IonicContact CZ-OE1 3.29Å; R441-E445 VanDerWaalsContact CZ-OE1 3.27Å; R441-E445 IonicContact CZ-OE2 2.67Å; R441-E445 IonicContact NE-OE1 2.72Å; R441-E445 PolarHBondContact NE-OE1 3Å; R441-E445 IonicContact NE-OE2 3.41Å; R441-E445 PolarHBondContact NE-OE2 2.88Å; R441-E445 IonicContact NH2-OE1 2.92Å; R441-E445 PolarHBondContact NH2-OE1 3.3Å; R441-E445 IonicContact NH2-OE2 2.65Å; R441-E445 PolarHBondContact O-N 2.63Å; E445-S449 PolarHBondContact O-N 3.45Å
446S85.6Confident79.1Confident60 Ų6066.4 Ų66.442%0.4233%0.333SS..Hα-helixtrans-65.8-47.8172.2179.40000112.4R442 M444 L448 S449 Y450R442-S446 WeakPolarHBondContact O-CB 3.31Å; R442-S446 PolarHBondContact O-N 2.89Å; R442-S446 VanDerWaalsContact O-N 3.15Å; M444-S446 VanDerWaalsContact C-N 3.29Å; M444-S446 PolarHBondContact O-N 3.48Å; S446-L448 PolarHBondContact O-N 2.97Å; S446-S449 PolarHBondContact O-N 2.81Å; S446-S449 PolarHBondContact O-OG 3.26Å; S446-Y450 WeakPolarHBondContact O-CD2 3.41Å; S446-Y450 VanDerWaalsContact O-CE2 3.24Å; S446-Y450 WeakPolarHBondContact O-CE2 3.27Å
447S84.6Confident76.3Confident32 Ų3269.8 Ų69.822%0.22436%0.356CS..Hα-helixtrans-63.5-30.4178.5-550000112.6R443 M444R443-S447 WeakPolarHBondContact O-CB 3.49Å; R443-S447 PolarHBondContact O-N 2.94Å; R443-S447 PolarHBondContact O-OG 2.85Å; M444-S447 PolarHBondContact O-N 3.39Å
448L84.6Confident73.5Confident0 Ų072 Ų720%037%0.371CS..Hα-helixtrans-84.6-13.4179.4-69.9172.7000114.1R396 L399 L400 M444 S446 L451 I470 I473R396-L448 HydrophobicContact CB-CD2 4.34Å; R396-L448 HydrophobicContact CG-CB 4.13Å; R396-L448 HydrophobicContact CG-CD1 4.15Å; R396-L448 HydrophobicContact CG-CD2 4.34Å; R396-L448 HydrophobicContact CG-CG 4.45Å; R396-L448 PolarHBondContact NH1-O 3.01Å; L399-L448 HydrophobicContact CB-CD1 4.1Å; L399-L448 HydrophobicContact CD1-CD2 3.98Å; L400-L448 HydrophobicContact CD2-CD1 3.9Å; L400-L448 HydrophobicContact CG-CD1 3.91Å; M444-L448 HydrophobicContact CG-CD1 3.49Å; M444-L448 VanDerWaalsContact CG-CD1 3.49Å; M444-L448 HydrophobicContact CG-CG 4.17Å; M444-L448 WeakPolarHBondContact O-CB 3.08Å; M444-L448 VanDerWaalsContact O-CG 3.29Å; M444-L448 WeakPolarHBondContact O-CG 3.29Å; M444-L448 PolarHBondContact O-N 3.28Å; M444-L448 HydrophobicContact SD-CD1 4.12Å; S446-L448 PolarHBondContact O-N 2.97Å; L448-L451 HydrophobicContact CD2-CD1 3.89Å; L448-L451 PolarHBondContact O-N 2.54Å; L448-I470 HydrophobicContact CD2-CD1 4.13Å; L448-I473 HydrophobicContact CD2-CD1 3.61Å; L448-I473 HydrophobicContact CD2-CG2 4.41Å; L448-I473 HydrophobicContact CG-CD1 4.04Å; L448-I473 HydrophobicContact CG-CG2 4.47Å
449S80.4Confident71Confident46 Ų4674.5 Ų74.532%0.32240%0.396SS..Hα-helixtrans-69.8-38.2179.166.50000111.6E445 S446 L451 I452 S453E445-S449 PolarHBondContact O-N 3.45Å; S446-S449 PolarHBondContact O-N 2.81Å; S446-S449 PolarHBondContact O-OG 3.26Å; S449-L451 PolarHBondContact O-N 3.26Å; S449-I452 PolarHBondContact O-N 2.8Å; S449-S453 PolarHBondContact O-N 3.47Å; S449-S453 PolarHBondContact O-OG 3.37Å
450Y71.1Confident68.7Low150 Ų15079.4 Ų79.459%0.58842%0.42SS*.THydrogen-bonded Turntrans-54.1-20.3173.6-58.7-78.6000114.4S446S446-Y450 WeakPolarHBondContact O-CD2 3.41Å; S446-Y450 VanDerWaalsContact O-CE2 3.24Å; S446-Y450 WeakPolarHBondContact O-CE2 3.27Å
451L70Confident66.4Low24 Ų2482 Ų8213%0.12643%0.434CS..THydrogen-bonded Turntrans-85.4-6.5176.7-69177.9000114.7L448 S449 V469 I470L448-L451 HydrophobicContact CD2-CD1 3.89Å; L448-L451 PolarHBondContact O-N 2.54Å; S449-L451 PolarHBondContact O-N 3.26Å; L451-V469 HydrophobicContact CD1-CG1 4.15Å; L451-V469 HydrophobicContact CD2-CB 3.99Å; L451-V469 HydrophobicContact CD2-CG1 3.87Å; L451-V469 HydrophobicContact CD2-CG2 4.38Å; L451-V469 HydrophobicContact CG-CG1 4.01Å; L451-I470 HydrophobicContact CD1-CD1 3.47Å; L451-I470 VanDerWaalsContact CD1-CD1 3.47Å; L451-I470 HydrophobicContact CD1-CG1 3.99Å
452I66.2Low64.2Low79 Ų7982.7 Ų82.741%0.40545%0.453SS..THydrogen-bonded Turntrans-130.9-20.9-176.7-68.8-166.7000113.3R393 R396 S449 S454R393-I452 HydrophobicContact CG-CD1 3.88Å; R393-I452 HydrophobicContact CG-CG1 4.3Å; R396-I452 VanDerWaalsContact CD-CD1 3.43Å; S449-I452 PolarHBondContact O-N 2.8Å; I452-S454 PolarHBondContact O-N 3.47Å
453S59.3Low62.2Low64 Ų6477.8 Ų77.845%0.44844%0.441SS..  trans-51.6120.9175-64.50000112.1S449 Q455S449-S453 PolarHBondContact O-N 3.47Å; S449-S453 PolarHBondContact O-OG 3.37Å; S453-Q455 PolarHBondContact O-N 3.15Å
454S46.9Very low60.7Low124 Ų12477.7 Ų77.787%0.86745%0.451SS*.SBendtrans-71.2-18.1177.747.80000113.3I452 Q456I452-S454 PolarHBondContact O-N 3.47Å; S454-Q456 PolarHBondContact O-N 3.41Å
455Q43.3Very low59.7Low176 Ų17680.1 Ų80.182%0.82247%0.468SS*.SBendtrans-69.486.6159.1-71.1179.8-9.700108.6S453 P457S453-Q455 PolarHBondContact O-N 3.15Å; Q455-P457 VanDerWaalsContact O-CD 3.32Å; Q455-P457 WeakPolarHBondContact O-CD 3.45Å
456Q36.8Very low58.9Low143 Ų14378.6 Ų78.667%0.66847%0.465SS*.  trans-71.1121.1-174.2-160.4-169.922.800110.6S454 S458S454-Q456 PolarHBondContact O-N 3.41Å; Q456-S458 VanDerWaalsContact CD-CB 3.46Å; Q456-S458 VanDerWaalsContact CG-OG 3.28Å; Q456-S458 WeakPolarHBondContact CG-OG 3.46Å; Q456-S458 PolarHBondContact O-N 2.81Å; Q456-S458 PolarHBondContact O-OG 3.42Å; Q456-S458 PolarHBondContact OE1-OG 2.62Å
457P38.9Very low58.6Low82 Ų8280 Ų8053%0.53246%0.462SS..G310 helixtrans-71.413.5175-19.634.5000114.6Q455 A459 L460 N461Q455-P457 VanDerWaalsContact O-CD 3.32Å; Q455-P457 WeakPolarHBondContact O-CD 3.45Å; P457-A459 PolarHBondContact O-N 3.43Å; P457-L460 PolarHBondContact O-N 3.24Å; P457-N461 PolarHBondContact O-N 3.27Å
458S38.7Very low58.4Low47 Ų4783.5 Ų83.533%0.32947%0.47SS..G310 helixtrans-59.5-26.4-179.849.30000113.2Q456 L460Q456-S458 VanDerWaalsContact CD-CB 3.46Å; Q456-S458 VanDerWaalsContact CG-OG 3.28Å; Q456-S458 WeakPolarHBondContact CG-OG 3.46Å; Q456-S458 PolarHBondContact O-N 2.81Å; Q456-S458 PolarHBondContact O-OG 3.42Å; Q456-S458 PolarHBondContact OE1-OG 2.62Å; S458-L460 VanDerWaalsContact C-N 3.27Å; S458-L460 PolarHBondContact O-N 3Å
459A43.2Very low58.2Low91 Ų9185.4 Ų85.475%0.75248%0.482SS*.G310 helixtrans-66.2-23.2178.600000114.1P457P457-A459 PolarHBondContact O-N 3.43Å
460L44.1Very low58.4Low119 Ų11983.2 Ų83.262%0.62347%0.467SS*.THydrogen-bonded Turntrans-114-22.2179.8-78.990.1000114.6T239 P457 S458T239-L460 HydrophobicContact CG2-CD2 4.43Å; P457-L460 PolarHBondContact O-N 3.24Å; S458-L460 VanDerWaalsContact C-N 3.27Å; S458-L460 PolarHBondContact O-N 3Å
461N46Very low59.1Low59 Ų5977 Ų7732%0.31644%0.443SS..  trans-156.786.2176.9-138.4-52.5000114.7E207 P457 S463E207-N461 PolarHBondContact OE2-ND2 3.01Å; P457-N461 PolarHBondContact O-N 3.27Å; N461-S463 PolarHBondContact O-N 3.24Å; N461-S463 VanDerWaalsContact O-N 3.12Å
462P48.9Very low59.8Low121 Ų12178.3 Ų78.379%0.78645%0.449SS*.THydrogen-bonded Turntrans-72.63-179.929.6-35.6000114.9
463S50.4Low60.9Low49 Ų4975 Ų7534%0.34343%0.432SS..THydrogen-bonded Turntrans-82.8-23.1-176.4-170.70000114.4N461 S465N461-S463 PolarHBondContact O-N 3.24Å; N461-S463 VanDerWaalsContact O-N 3.12Å; S463-S465 PolarHBondContact O-N 3.25Å; S463-S465 VanDerWaalsContact O-N 3.13Å
464V56.8Low62.4Low89 Ų8971.9 Ų71.954%0.53941%0.41SS..  trans-8693.5-168-171.70000112.1V469V464-V469 HydrophobicContact CG1-CG2 3.83Å
465S69.7Low64.4Low58 Ų5870.6 Ų70.641%0.40639%0.386SS..  trans-58.9137.6172.6179.80000112.8S463 Y467 R468S463-S465 PolarHBondContact O-N 3.25Å; S463-S465 VanDerWaalsContact O-N 3.13Å; S465-Y467 PolarHBondContact O-N 2.92Å; S465-R468 WeakPolarHBondContact O-CB 3.21Å; S465-R468 PolarHBondContact O-N 3.42Å
466S72.3Confident66.6Low37 Ų3765 Ų6526%0.25936%0.358SS..Hα-helixtrans-50.9-32.6175.3-48.50000113.5V469 I470S466-V469 PolarHBondContact O-N 3.31Å; S466-I470 WeakPolarHBondContact O-CG1 3.45Å; S466-I470 PolarHBondContact O-N 3.4Å
467Y79.3Confident69.3Low90 Ų9058.5 Ų58.535%0.35333%0.327SS..Hα-helixtrans-62.1-41.1175.4-68.8-63.6000112.2V391 S465 V469 I470 I471 I524V391-Y467 HydrophobicContact CG1-CE1 3.76Å; S465-Y467 PolarHBondContact O-N 2.92Å; Y467-V469 VanDerWaalsContact C-N 3.32Å; Y467-V469 PolarHBondContact O-N 2.97Å; Y467-I470 PolarHBondContact O-N 3.08Å; Y467-I471 WeakPolarHBondContact O-CB 3.4Å; Y467-I471 WeakPolarHBondContact O-CD1 3.45Å; Y467-I471 WeakPolarHBondContact O-CG1 3.46Å; Y467-I471 PolarHBondContact O-N 3.31Å; Y467-I524 HydrophobicContact CD1-CB 4.33Å; Y467-I524 HydrophobicContact CD1-CD1 4.43Å; Y467-I524 HydrophobicContact CD1-CG1 3.97Å; Y467-I524 HydrophobicContact CD1-CG2 3.78Å; Y467-I524 HydrophobicContact CE1-CG1 4.06Å; Y467-I524 HydrophobicContact CG-CG2 4.43Å
468R80Confident71.8Confident105 Ų10554.8 Ų54.840%0.39630%0.303SS..Hα-helixtrans-62.2-40.7177.6-74.3-174.9166.6-85.44.5111.7D203 Y204 S465 I471 E472D203-R468 PolarHBondContact O-NH1 3.49Å; Y204-R468 VanDerWaalsContact CB-NH1 3.34Å; Y204-R468 VanDerWaalsContact CB-NH2 3.28Å; Y204-R468 VanDerWaalsContact CG-NH2 3.3Å; S465-R468 WeakPolarHBondContact O-CB 3.21Å; S465-R468 PolarHBondContact O-N 3.42Å; R468-I471 PolarHBondContact O-N 3.32Å; R468-E472 WeakPolarHBondContact O-CB 3.34Å; R468-E472 PolarHBondContact O-N 3.41Å
469V80.9Confident74.3Confident40 Ų4054.8 Ų54.824%0.24230%0.296CS..Hα-helixtrans-63.7-45.7176.7-177.90000110.9L451 V464 S466 Y467 E472 I473L451-V469 HydrophobicContact CD1-CG1 4.15Å; L451-V469 HydrophobicContact CD2-CB 3.99Å; L451-V469 HydrophobicContact CD2-CG1 3.87Å; L451-V469 HydrophobicContact CD2-CG2 4.38Å; L451-V469 HydrophobicContact CG-CG1 4.01Å; V464-V469 HydrophobicContact CG1-CG2 3.83Å; S466-V469 PolarHBondContact O-N 3.31Å; Y467-V469 VanDerWaalsContact C-N 3.32Å; Y467-V469 PolarHBondContact O-N 2.97Å; V469-E472 PolarHBondContact O-N 3.45Å; V469-I473 HydrophobicContact CG1-CD1 3.8Å; V469-I473 VanDerWaalsContact O-CG1 3.25Å; V469-I473 WeakPolarHBondContact O-CG1 3.38Å; V469-I473 PolarHBondContact O-N 3.11Å
470I84.4Confident76.7Confident1 Ų150.9 Ų50.91%0.00526%0.262CS..Hα-helixtrans-62.8-42.8176.6-69.9-66.5000111.9W395 L399 L448 L451 S466 Y467 I473 A474 M520 I524 F527W395-I470 HydrophobicContact CB-CD1 3.56Å; W395-I470 HydrophobicContact CB-CG1 3.8Å; W395-I470 HydrophobicContact CB-CG2 4Å; W395-I470 HydrophobicContact CG-CG2 4.46Å; L399-I470 HydrophobicContact CD1-CD1 3.76Å; L399-I470 HydrophobicContact CD1-CG2 4.25Å; L448-I470 HydrophobicContact CD2-CD1 4.13Å; L451-I470 HydrophobicContact CD1-CD1 3.47Å; L451-I470 VanDerWaalsContact CD1-CD1 3.47Å; L451-I470 HydrophobicContact CD1-CG1 3.99Å; S466-I470 WeakPolarHBondContact O-CG1 3.45Å; S466-I470 PolarHBondContact O-N 3.4Å; Y467-I470 PolarHBondContact O-N 3.08Å; I470-I473 PolarHBondContact O-N 3.13Å; I470-A474 WeakPolarHBondContact O-CB 3.45Å; I470-A474 PolarHBondContact O-N 2.88Å; I470-M520 HydrophobicContact CG2-CE 3.83Å; I470-I524 HydrophobicContact CG2-CD1 3.58Å; I470-F527 HydrophobicContact CG2-CD2 4.49Å; I470-F527 HydrophobicContact CG2-CE2 3.94Å
471I85.8Confident79Confident18 Ų1845.3 Ų45.39%0.09223%0.233CC..Hα-helixtrans-61.2-44.4177.2-70164.4000111.1Y467 R468 A474 R475 I524 P525 F527Y467-I471 WeakPolarHBondContact O-CB 3.4Å; Y467-I471 WeakPolarHBondContact O-CD1 3.45Å; Y467-I471 WeakPolarHBondContact O-CG1 3.46Å; Y467-I471 PolarHBondContact O-N 3.31Å; R468-I471 PolarHBondContact O-N 3.32Å; I471-A474 PolarHBondContact O-N 3.08Å; I471-R475 VanDerWaalsContact CG2-CZ 3.43Å; I471-R475 WeakPolarHBondContact O-CG 3.37Å; I471-R475 PolarHBondContact O-N 3.12Å; I471-I524 HydrophobicContact CD1-CG2 3.84Å; I471-I524 HydrophobicContact CG1-CG2 3.76Å; I471-P525 WeakPolarHBondContact CD1-O 3.3Å; I471-F527 HydrophobicContact CG1-CD2 4.17Å
472E85.2Confident81.2Confident52 Ų5244.5 Ų44.524%0.24323%0.228CC..Hα-helixtrans-68.3-41.5179.6177.760.6-172.600112.1R468 V469 A474 R475 R476R468-E472 WeakPolarHBondContact O-CB 3.34Å; R468-E472 PolarHBondContact O-N 3.41Å; V469-E472 PolarHBondContact O-N 3.45Å; E472-A474 VanDerWaalsContact C-N 3.31Å; E472-A474 PolarHBondContact O-N 3.19Å; E472-R475 PolarHBondContact O-N 3.24Å; E472-R476 WeakPolarHBondContact O-CG 3.42Å; E472-R476 PolarHBondContact O-N 3.2Å; E472-R476 IonicContact OE1-CZ 2.72Å; E472-R476 VanDerWaalsContact OE1-CZ 3.27Å; E472-R476 IonicContact OE1-NE 3.04Å; E472-R476 PolarHBondContact OE1-NE 2.93Å; E472-R476 IonicContact OE1-NH2 3.15Å; E472-R476 PolarHBondContact OE1-NH2 2.83Å
473I88Confident83.3Confident9 Ų939.5 Ų39.55%0.04620%0.195CC..Hα-helixtrans-64-39.5175.4-64.7168.4000110.6L399 M444 L448 V469 I470 F477L399-I473 HydrophobicContact CD1-CB 4.22Å; L399-I473 HydrophobicContact CD1-CG2 3.87Å; M444-I473 HydrophobicContact CE-CG2 4.07Å; M444-I473 HydrophobicContact CG-CG2 4.27Å; L448-I473 HydrophobicContact CD2-CD1 3.61Å; L448-I473 HydrophobicContact CD2-CG2 4.41Å; L448-I473 HydrophobicContact CG-CD1 4.04Å; L448-I473 HydrophobicContact CG-CG2 4.47Å; V469-I473 HydrophobicContact CG1-CD1 3.8Å; V469-I473 VanDerWaalsContact O-CG1 3.25Å; V469-I473 WeakPolarHBondContact O-CG1 3.38Å; V469-I473 PolarHBondContact O-N 3.11Å; I470-I473 PolarHBondContact O-N 3.13Å; I473-F477 VanDerWaalsContact O-CB 3.32Å; I473-F477 WeakPolarHBondContact O-CB 3.43Å; I473-F477 PolarHBondContact O-N 2.58Å
474A90.7Very high85.4Confident0 Ų037.3 Ų37.30%018%0.179CC..Hα-helixtrans-64.2-42.4174.700000112.5L399 I470 I471 E472 F477 I478 W517 F527 P528L399-A474 HydrophobicContact CD2-CB 4.23Å; I470-A474 WeakPolarHBondContact O-CB 3.45Å; I470-A474 PolarHBondContact O-N 2.88Å; I471-A474 PolarHBondContact O-N 3.08Å; E472-A474 VanDerWaalsContact C-N 3.31Å; E472-A474 PolarHBondContact O-N 3.19Å; A474-F477 PolarHBondContact O-N 3.39Å; A474-I478 WeakPolarHBondContact O-CG1 3.42Å; A474-I478 PolarHBondContact O-N 3.33Å; A474-W517 HydrophobicContact CB-CZ2 4.04Å; A474-F527 HydrophobicContact CB-CD2 4.24Å; A474-F527 HydrophobicContact CB-CE1 4.41Å; A474-F527 HydrophobicContact CB-CE2 3.34Å; A474-F527 HydrophobicContact CB-CZ 3.45Å; A474-F527 VanDerWaalsContact CB-CZ 3.45Å; A474-P528 HydrophobicContact CB-CG 3.7Å
475R90.1Very high87.1Confident96 Ų9633.4 Ų33.436%0.36216%0.155SC..Hα-helixtrans-60.8-49.7175.1-77.6-178.3-177.2133.813.1111.6I471 E472 F477 I478 R479 G526 P528I471-R475 VanDerWaalsContact CG2-CZ 3.43Å; I471-R475 WeakPolarHBondContact O-CG 3.37Å; I471-R475 PolarHBondContact O-N 3.12Å; E472-R475 PolarHBondContact O-N 3.24Å; R475-F477 VanDerWaalsContact C-N 3.31Å; R475-F477 PolarHBondContact O-N 3.2Å; R475-I478 PolarHBondContact O-N 2.83Å; R475-R479 WeakPolarHBondContact O-CB 3.21Å; R475-R479 PolarHBondContact O-N 2.85Å; R475-G526 PolarHBondContact NH2-O 2.79Å; R475-P528 HydrophobicContact CG-CB 3.75Å; R475-P528 HydrophobicContact CG-CG 3.76Å
476R89.6Confident88.1Confident60 Ų6035.3 Ų35.323%0.22616%0.159CC..Hα-helixtrans-58.9-41.5177-71.5175.6-179-141.2-11.6112.1E200 N212 E472 R479 D480E200-R476 IonicContact OE1-CZ 3.31Å; E200-R476 IonicContact OE1-NH2 3.56Å; E200-R476 PolarHBondContact OE1-NH2 3.37Å; N212-R476 PolarHBondContact ND2-NH2 2.98Å; E472-R476 WeakPolarHBondContact O-CG 3.42Å; E472-R476 PolarHBondContact O-N 3.2Å; E472-R476 IonicContact OE1-CZ 2.72Å; E472-R476 VanDerWaalsContact OE1-CZ 3.27Å; E472-R476 IonicContact OE1-NE 3.04Å; E472-R476 PolarHBondContact OE1-NE 2.93Å; E472-R476 IonicContact OE1-NH2 3.15Å; E472-R476 PolarHBondContact OE1-NH2 2.83Å; R476-R479 PolarHBondContact O-N 3.39Å; R476-D480 WeakPolarHBondContact O-CB 3.49Å; R476-D480 PolarHBondContact O-N 3.37Å; R476-D480 VanDerWaalsContact O-OD1 3.14Å
477F93.3Very high89.1Confident5 Ų533.8 Ų33.82%0.02215%0.148CC..Hα-helixtrans-63.2-47.5177.5179.2-102.4000112.5A402 L403 V406 L440 M444 I473 A474 R475 D480 L481 L513 W517A402-F477 HydrophobicContact CB-CE1 4.09Å; A402-F477 HydrophobicContact CB-CZ 4.05Å; L403-F477 HydrophobicContact CB-CE2 4.38Å; L403-F477 HydrophobicContact CD1-CE2 4.15Å; V406-F477 HydrophobicContact CG2-CE2 4.28Å; V406-F477 HydrophobicContact CG2-CZ 3.74Å; L440-F477 HydrophobicContact CD2-CD2 3.79Å; L440-F477 HydrophobicContact CD2-CE2 3.91Å; M444-F477 HydrophobicContact CE-CB 3.82Å; M444-F477 HydrophobicContact CE-CD2 3.27Å; M444-F477 HydrophobicContact CE-CE2 3.87Å; M444-F477 HydrophobicContact CE-CG 3.66Å; M444-F477 HydrophobicContact SD-CD2 4.49Å; I473-F477 VanDerWaalsContact O-CB 3.32Å; I473-F477 WeakPolarHBondContact O-CB 3.43Å; I473-F477 PolarHBondContact O-N 2.58Å; A474-F477 PolarHBondContact O-N 3.39Å; R475-F477 VanDerWaalsContact C-N 3.31Å; R475-F477 PolarHBondContact O-N 3.2Å; F477-D480 PolarHBondContact O-N 3.07Å; F477-L481 HydrophobicContact CD1-CD1 3.97Å; F477-L481 HydrophobicContact CE1-CD1 3.53Å; F477-L481 HydrophobicContact CE1-CG 4.49Å; F477-L481 HydrophobicContact CE2-CD1 4.24Å; F477-L481 HydrophobicContact CZ-CD1 3.7Å; F477-L481 HydrophobicContact CZ-CG 4.44Å; F477-L481 WeakPolarHBondContact O-CG 3.33Å; F477-L481 PolarHBondContact O-N 3.26Å; F477-L513 HydrophobicContact CE1-CD1 3.87Å; F477-L513 HydrophobicContact CZ-CD1 4.42Å; F477-W517 AromaticContact CD1-CH2 3.51Å; F477-W517 HydrophobicContact CD1-CH2 3.51Å; F477-W517 HydrophobicContact CD1-CZ2 4.35Å; F477-W517 HydrophobicContact CD1-CZ3 4.2Å; F477-W517 AromaticContact CE1-CH2 3.77Å; F477-W517 HydrophobicContact CE1-CH2 3.77Å; F477-W517 AromaticContact CE1-CZ3 3.98Å; F477-W517 HydrophobicContact CE1-CZ3 3.98Å
478I91.3Very high89.9Confident5 Ų529.8 Ų29.83%0.02613%0.134CC..Hα-helixtrans-61.3-46.8177.2-63.7166.2000110.7L197 A474 R475 L481 L482 W517 P528 L530L197-I478 HydrophobicContact CD2-CG2 4.11Å; A474-I478 WeakPolarHBondContact O-CG1 3.42Å; A474-I478 PolarHBondContact O-N 3.33Å; R475-I478 PolarHBondContact O-N 2.83Å; I478-L481 PolarHBondContact O-N 3.46Å; I478-L482 HydrophobicContact CG2-CD1 3.86Å; I478-L482 HydrophobicContact CG2-CG 4.45Å; I478-L482 WeakPolarHBondContact O-CB 3.32Å; I478-L482 WeakPolarHBondContact O-CG 3.47Å; I478-L482 PolarHBondContact O-N 3.39Å; I478-W517 HydrophobicContact CD1-CZ2 3.77Å; I478-W517 HydrophobicContact CG1-CZ2 3.78Å; I478-P528 HydrophobicContact CD1-CB 3.86Å; I478-P528 HydrophobicContact CD1-CG 3.78Å; I478-L530 HydrophobicContact CD1-CD2 4.13Å; I478-L530 HydrophobicContact CG1-CD2 3.97Å
479R90.5Very high90.3Very high47 Ų4727.1 Ų27.118%0.17712%0.123CC..Hα-helixtrans-58.6-49.9176.5-178.8-158.866.7-172.60.6111.5L197 F198 R475 R476 L481 L482 L483L197-R479 HydrophobicContact CD2-CB 4.44Å; L197-R479 WeakPolarHBondContact O-CD 3.39Å; L197-R479 WeakPolarHBondContact O-CG 2.87Å; F198-R479 HydrophobicContact CD1-CG 4.22Å; F198-R479 HydrophobicContact CE1-CG 4.18Å; F198-R479 HydrophobicContact CG-CG 4.44Å; F198-R479 HydrophobicContact CZ-CG 4.35Å; R475-R479 WeakPolarHBondContact O-CB 3.21Å; R475-R479 PolarHBondContact O-N 2.85Å; R476-R479 PolarHBondContact O-N 3.39Å; R479-L481 VanDerWaalsContact C-N 3.35Å; R479-L481 PolarHBondContact O-N 3.49Å; R479-L482 PolarHBondContact O-N 3.19Å; R479-L483 VanDerWaalsContact O-CB 3.25Å; R479-L483 WeakPolarHBondContact O-CB 3.5Å; R479-L483 PolarHBondContact O-N 3.4Å
480D92.9Very high90.8Very high8 Ų829.6 Ų29.64%0.04313%0.134CC..Hα-helixtrans-63.8-39.3-177-74.412.9000111.3V435 L440 R443 R476 F477 M484V435-D480 HydrophobicContact CG1-CB 4.17Å; V435-D480 WeakPolarHBondContact CG1-O 3.06Å; L440-D480 HydrophobicContact CD1-CB 3.85Å; L440-D480 HydrophobicContact CG-CB 4.17Å; R443-D480 IonicContact CZ-OD2 2.9Å; R443-D480 IonicContact NE-OD2 2.72Å; R443-D480 PolarHBondContact NE-OD2 2.98Å; R443-D480 IonicContact NH2-OD2 3.27Å; R443-D480 PolarHBondContact NH2-OD2 3.07Å; R476-D480 WeakPolarHBondContact O-CB 3.49Å; R476-D480 PolarHBondContact O-N 3.37Å; R476-D480 VanDerWaalsContact O-OD1 3.14Å; F477-D480 PolarHBondContact O-N 3.07Å; D480-M484 VanDerWaalsContact O-CB 3.25Å; D480-M484 WeakPolarHBondContact O-CB 3.45Å; D480-M484 PolarHBondContact O-N 3.42Å
481L93.9Very high91.2Very high2 Ų232.8 Ų32.81%0.0115%0.146CC..Hα-helixtrans-64.1-49.4172.3-71.3179.3000112.3V406 L440 F477 I478 R479 L483 M484 F485 V509 L513V406-L481 HydrophobicContact CB-CD2 4.5Å; V406-L481 HydrophobicContact CG1-CD2 3.73Å; V406-L481 HydrophobicContact CG2-CD1 4.07Å; V406-L481 HydrophobicContact CG2-CD2 3.93Å; L440-L481 HydrophobicContact CD1-CD2 3.87Å; L440-L481 HydrophobicContact CD1-CG 4.3Å; F477-L481 HydrophobicContact CD1-CD1 3.97Å; F477-L481 HydrophobicContact CE1-CD1 3.53Å; F477-L481 HydrophobicContact CE1-CG 4.49Å; F477-L481 HydrophobicContact CE2-CD1 4.24Å; F477-L481 HydrophobicContact CZ-CD1 3.7Å; F477-L481 HydrophobicContact CZ-CG 4.44Å; F477-L481 WeakPolarHBondContact O-CG 3.33Å; F477-L481 PolarHBondContact O-N 3.26Å; I478-L481 PolarHBondContact O-N 3.46Å; R479-L481 VanDerWaalsContact C-N 3.35Å; R479-L481 PolarHBondContact O-N 3.49Å; L481-L483 VanDerWaalsContact C-N 3.3Å; L481-L483 PolarHBondContact O-N 3.3Å; L481-M484 HydrophobicContact CD2-CE 3.92Å; L481-M484 WeakPolarHBondContact O-CB 3.23Å; L481-M484 PolarHBondContact O-N 3.39Å; L481-F485 HydrophobicContact CB-CE2 4.1Å; L481-F485 WeakPolarHBondContact O-CD2 3.41Å; L481-F485 WeakPolarHBondContact O-CG 3.18Å; L481-F485 PolarHBondContact O-N 3.11Å; L481-V509 HydrophobicContact CD1-CG1 4.35Å; L481-L513 HydrophobicContact CD1-CD1 4.29Å
482L91.8Very high91.5Very high42 Ų4232.9 Ų32.922%0.2215%0.147CC..Hα-helixtrans-58.6-43.3178.1-77.4171.3000111.8L197 I478 R479 F485 M486 Y506 P531L197-L482 HydrophobicContact CD2-CD1 4.28Å; I478-L482 HydrophobicContact CG2-CD1 3.86Å; I478-L482 HydrophobicContact CG2-CG 4.45Å; I478-L482 WeakPolarHBondContact O-CB 3.32Å; I478-L482 WeakPolarHBondContact O-CG 3.47Å; I478-L482 PolarHBondContact O-N 3.39Å; R479-L482 PolarHBondContact O-N 3.19Å; L482-F485 PolarHBondContact O-N 3Å; L482-M486 WeakPolarHBondContact O-CB 3.26Å; L482-M486 PolarHBondContact O-N 2.87Å; L482-Y506 HydrophobicContact CD2-CD2 4.3Å; L482-Y506 HydrophobicContact CD2-CE2 3.68Å; L482-P531 HydrophobicContact CD1-CG 4.08Å; L482-P531 HydrophobicContact CD2-CG 4.02Å; L482-P531 HydrophobicContact CG-CG 4.4Å
483L91.6Very high91.7Very high16 Ų1634.4 Ų34.48%0.08416%0.163CC..Hα-helixtrans-65.1-44.1177.3179.555.7000111.5F198 E433 V435 R479 L481 F485 M486 N487F198-L483 HydrophobicContact CE1-CB 4.29Å; F198-L483 HydrophobicContact CE1-CD1 4.08Å; F198-L483 HydrophobicContact CE1-CD2 4.16Å; F198-L483 HydrophobicContact CE1-CG 4.4Å; F198-L483 HydrophobicContact CZ-CB 4.27Å; F198-L483 HydrophobicContact CZ-CD1 4.38Å; E433-L483 HydrophobicContact CB-CD2 3.87Å; V435-L483 HydrophobicContact CG2-CB 4.33Å; V435-L483 HydrophobicContact CG2-CD2 3.62Å; V435-L483 HydrophobicContact CG2-CG 3.89Å; R479-L483 VanDerWaalsContact O-CB 3.25Å; R479-L483 WeakPolarHBondContact O-CB 3.5Å; R479-L483 PolarHBondContact O-N 3.4Å; L481-L483 VanDerWaalsContact C-N 3.3Å; L481-L483 PolarHBondContact O-N 3.3Å; L483-F485 PolarHBondContact O-N 3.4Å; L483-M486 PolarHBondContact O-N 2.94Å; L483-N487 WeakPolarHBondContact CD1-OD1 3.2Å; L483-N487 VanDerWaalsContact O-CB 3.23Å; L483-N487 WeakPolarHBondContact O-CB 3.19Å; L483-N487 PolarHBondContact O-N 3.3Å; L483-N487 PolarHBondContact O-ND2 3.22Å
484M94.7Very high91.5Very high3 Ų338.5 Ų38.52%0.01518%0.182CC..Hα-helixtrans-56.4-48.6174.7-176.6-177.478.900112.2F415 V435 L437 D480 L481 A488 M505F415-M484 HydrophobicContact CB-CE 4.28Å; F415-M484 HydrophobicContact CB-CG 4.27Å; F415-M484 HydrophobicContact CB-SD 3.72Å; F415-M484 HydrophobicContact CD1-CE 4.26Å; F415-M484 HydrophobicContact CD1-CG 3.63Å; F415-M484 HydrophobicContact CD1-SD 4.1Å; F415-M484 HydrophobicContact CE1-CG 4.39Å; F415-M484 HydrophobicContact CG-CE 4.18Å; F415-M484 HydrophobicContact CG-CG 4.25Å; F415-M484 HydrophobicContact CG-SD 4.1Å; V435-M484 HydrophobicContact CB-CB 4.09Å; V435-M484 HydrophobicContact CG1-CB 3.99Å; L437-M484 HydrophobicContact CD2-CE 3.93Å; L437-M484 HydrophobicContact CD2-SD 3.6Å; L437-M484 HydrophobicContact CG-SD 4.03Å; D480-M484 VanDerWaalsContact O-CB 3.25Å; D480-M484 WeakPolarHBondContact O-CB 3.45Å; D480-M484 PolarHBondContact O-N 3.42Å; L481-M484 HydrophobicContact CD2-CE 3.92Å; L481-M484 WeakPolarHBondContact O-CB 3.23Å; L481-M484 PolarHBondContact O-N 3.39Å; M484-A488 PolarHBondContact O-N 3Å; M484-M505 HydrophobicContact CE-CE 4.38Å
485F92.6Very high91.3Very high8 Ų846 Ų464%0.03522%0.222CC..Hα-helixtrans-69.6-40.2177.5-59.1-50.5000112.6F415 L481 L482 L483 A488 R489 A502 M505 Y506F415-F485 HydrophobicContact CE1-CD1 4.39Å; F415-F485 HydrophobicContact CZ-CD1 4.38Å; L481-F485 HydrophobicContact CB-CE2 4.1Å; L481-F485 WeakPolarHBondContact O-CD2 3.41Å; L481-F485 WeakPolarHBondContact O-CG 3.18Å; L481-F485 PolarHBondContact O-N 3.11Å; L482-F485 PolarHBondContact O-N 3Å; L483-F485 PolarHBondContact O-N 3.4Å; F485-A488 PolarHBondContact O-N 3.36Å; F485-R489 WeakPolarHBondContact O-CG 3.31Å; F485-R489 PolarHBondContact O-N 2.73Å; F485-A502 HydrophobicContact CD1-CB 4.46Å; F485-M505 HydrophobicContact CE1-CB 3.79Å; F485-M505 HydrophobicContact CE1-CE 4.39Å; F485-M505 HydrophobicContact CE1-CG 3.55Å; F485-M505 HydrophobicContact CE1-SD 4.08Å; F485-M505 HydrophobicContact CZ-CB 4.33Å; F485-M505 HydrophobicContact CZ-CE 4.46Å; F485-M505 HydrophobicContact CZ-CG 3.81Å; F485-Y506 AromaticContact CD2-CD2 3.81Å; F485-Y506 HydrophobicContact CD2-CD2 3.81Å; F485-Y506 HydrophobicContact CD2-CG 4.25Å; F485-Y506 HydrophobicContact CE2-CD2 4.23Å
486M91.4Very high91.4Very high98 Ų9845.7 Ų45.748%0.48323%0.225SC..Hα-helixtrans-66.3-44.8179.5-174.761.6-175.200111.6L482 L483 A488 R489 M490L482-M486 WeakPolarHBondContact O-CB 3.26Å; L482-M486 PolarHBondContact O-N 2.87Å; L483-M486 PolarHBondContact O-N 2.94Å; M486-A488 VanDerWaalsContact C-N 3.29Å; M486-A488 PolarHBondContact O-N 3.44Å; M486-R489 PolarHBondContact O-N 3.13Å; M486-M490 WeakPolarHBondContact O-CB 3.29Å; M486-M490 PolarHBondContact O-N 3.43Å
487N94Very high91.6Very high5 Ų548 Ų483%0.02724%0.238CC..Hα-helixtrans-55.6-45.8174.4-73.9-21.2000111.3V431 E433 L483 M490 Y491V431-N487 HydrophobicContact CG1-CB 3.95Å; V431-N487 WeakPolarHBondContact CG1-ND2 3.21Å; V431-N487 WeakPolarHBondContact CG1-OD1 3.39Å; V431-N487 HydrophobicContact CG2-CB 3.98Å; E433-N487 PolarHBondContact O-ND2 3.47Å; L483-N487 WeakPolarHBondContact CD1-OD1 3.2Å; L483-N487 VanDerWaalsContact O-CB 3.23Å; L483-N487 WeakPolarHBondContact O-CB 3.19Å; L483-N487 PolarHBondContact O-N 3.3Å; L483-N487 PolarHBondContact O-ND2 3.22Å; N487-M490 PolarHBondContact O-N 3.12Å; N487-Y491 WeakPolarHBondContact O-CB 3.46Å; N487-Y491 PolarHBondContact O-N 3Å
488A94.5Very high91.7Very high6 Ų649 Ų495%0.0524%0.244CC..Hα-helixtrans-62.8-47.3176.300000112.1F415 M484 F485 M486 M490 N492 V498 A502F415-A488 HydrophobicContact CE1-CB 3.79Å; F415-A488 HydrophobicContact CZ-CB 4.49Å; M484-A488 PolarHBondContact O-N 3Å; F485-A488 PolarHBondContact O-N 3.36Å; M486-A488 VanDerWaalsContact C-N 3.29Å; M486-A488 PolarHBondContact O-N 3.44Å; A488-M490 VanDerWaalsContact C-N 3.32Å; A488-M490 PolarHBondContact O-N 2.67Å; A488-N492 WeakPolarHBondContact O-CB 3.13Å; A488-N492 PolarHBondContact O-N 3.26Å; A488-N492 PolarHBondContact O-ND2 3.3Å; A488-V498 HydrophobicContact CB-CG1 4.19Å; A488-A502 HydrophobicContact CB-CB 3.74Å
489R90Very high91.8Very high48 Ų4849.4 Ų49.418%0.18125%0.246CC..Hα-helixtrans-71.9-21.3178.7-66.8-168.475.5-168.75114.4D180 W186 F485 M486 H499 A502D180-R489 IonicContact OD2-NH2 3.27Å; W186-R489 VanDerWaalsContact CZ2-CZ 3.44Å; F485-R489 WeakPolarHBondContact O-CG 3.31Å; F485-R489 PolarHBondContact O-N 2.73Å; M486-R489 PolarHBondContact O-N 3.13Å; R489-H499 PolarHBondContact NE-NE2 3.09Å; R489-H499 PolarHBondContact NH2-NE2 2.61Å; R489-H499 PolarHBondContact O-CE1 2.82Å; R489-H499 PolarHBondContact O-ND1 3.35Å; R489-A502 HydrophobicContact CG-CB 3.78Å
490M90.8Very high91.9Very high93 Ų9352 Ų5246%0.45826%0.256SS..Hα-helixtrans-83.2-44.2178.7177.71716400112.2V430 V431 M486 N487 A488V430-M490 HydrophobicContact CG1-CG 4.34Å; V431-M490 HydrophobicContact CG2-CE 4.05Å; M486-M490 WeakPolarHBondContact O-CB 3.29Å; M486-M490 PolarHBondContact O-N 3.43Å; N487-M490 PolarHBondContact O-N 3.12Å; A488-M490 VanDerWaalsContact C-N 3.32Å; A488-M490 PolarHBondContact O-N 2.67Å
491Y93.1Very high92Very high67 Ų6751.9 Ų51.926%0.26326%0.255SS..Hα-helixtrans-75.4-40.9177.1174.7-92.9000112.2A424 P425 Y427 V430 N487A424-Y491 VanDerWaalsContact C-OH 3.31Å; A424-Y491 WeakPolarHBondContact CA-OH 3.21Å; A424-Y491 HydrophobicContact CB-CE1 3.78Å; P425-Y491 PolarHBondContact O-OH 3.1Å; P425-Y491 VanDerWaalsContact O-OH 3.12Å; Y427-Y491 AromaticContact CD2-CD1 3.81Å; Y427-Y491 HydrophobicContact CD2-CD1 3.81Å; Y427-Y491 AromaticContact CD2-CD2 3.7Å; Y427-Y491 HydrophobicContact CD2-CD2 3.7Å; Y427-Y491 HydrophobicContact CD2-CE1 4.2Å; Y427-Y491 HydrophobicContact CD2-CE2 4.09Å; Y427-Y491 AromaticContact CD2-CG 3.55Å; Y427-Y491 HydrophobicContact CD2-CG 3.55Å; Y427-Y491 HydrophobicContact CE2-CD1 4.3Å; Y427-Y491 HydrophobicContact CE2-CG 4.06Å; Y427-Y491 HydrophobicContact CG-CD2 4.36Å; V430-Y491 HydrophobicContact CB-CD2 4.3Å; V430-Y491 HydrophobicContact CG2-CD2 4.38Å; N487-Y491 WeakPolarHBondContact O-CB 3.46Å; N487-Y491 PolarHBondContact O-N 3Å
492N92Very high92Very high21 Ų2151.8 Ų51.811%0.11226%0.255CS..SBendtrans-87.6131-177.2-63.5-89.3000111.3A488 H496 V498 H499A488-N492 WeakPolarHBondContact O-CB 3.13Å; A488-N492 PolarHBondContact O-N 3.26Å; A488-N492 PolarHBondContact O-ND2 3.3Å; N492-H496 HydrophobicContact CB-CB 4.18Å; N492-H496 PolarHBondContact OD1-CE1 3.43Å; N492-H496 PolarHBondContact OD1-ND1 3.44Å; N492-V498 HydrophobicContact CB-CB 4.42Å; N492-V498 WeakPolarHBondContact ND2-CG1 3.14Å; N492-H499 HydrophobicContact CB-CB 4.03Å; N492-H499 PolarHBondContact O-ND1 2.86Å
493S88.3Confident91.9Very high83 Ų8350.8 Ų50.858%0.5826%0.255SS*.  trans-61.1154.6173.5680000111.7N495 H496 H499S493-N495 PolarHBondContact O-N 3.04Å; S493-H496 WeakPolarHBondContact O-CB 3.47Å; S493-H496 PolarHBondContact O-N 2.79Å; S493-H499 VanDerWaalsContact O-CB 3.22Å; S493-H499 WeakPolarHBondContact O-CB 3.35Å
494Q85.3Confident91.9Very high95 Ų9552.6 Ų52.644%0.44426%0.262SS..THydrogen-bonded Turntrans-57.3-25.8-175.5-69.8-179.3-15.400114.2
495N86Confident92Very high157 Ų15752.4 Ų52.484%0.8426%0.262SS*.THydrogen-bonded Turntrans-87.2-8.2178.9-62.9-6.1000113.2S493S493-N495 PolarHBondContact O-N 3.04Å
496H91.5Very high92Very high91 Ų9154 Ų5442%0.42127%0.268SS..SBendtrans-83.6140.5-179.4-166.5-118.8000111.1N492 S493 V498 H499 R500N492-H496 HydrophobicContact CB-CB 4.18Å; N492-H496 PolarHBondContact OD1-CE1 3.43Å; N492-H496 PolarHBondContact OD1-ND1 3.44Å; S493-H496 WeakPolarHBondContact O-CB 3.47Å; S493-H496 PolarHBondContact O-N 2.79Å; H496-V498 VanDerWaalsContact C-N 3.26Å; H496-V498 PolarHBondContact O-N 2.95Å; H496-H499 WeakPolarHBondContact O-CB 3.48Å; H496-H499 PolarHBondContact O-N 2.73Å; H496-R500 PolarHBondContact O-N 3.25Å
497E94.6Very high91.9Very high107 Ų10753 Ų5350%0.526%0.262SS..Hα-helixtrans-61.7-34.8-170.8-162177.2-164.300112.8H499 R500 M501E497-H499 VanDerWaalsContact C-N 3.27Å; E497-H499 PolarHBondContact O-N 3.43Å; E497-R500 WeakPolarHBondContact O-CB 3.48Å; E497-R500 PolarHBondContact O-N 2.94Å; E497-R500 VanDerWaalsContact O-N 3.15Å; E497-R500 IonicContact OE1-CZ 3.83Å; E497-R500 IonicContact OE1-NH2 2.67Å; E497-R500 PolarHBondContact OE1-NH2 3.05Å; E497-M501 HydrophobicContact CB-CE 4.21Å; E497-M501 HydrophobicContact CG-CE 3.92Å; E497-M501 HydrophobicContact CG-CG 4.23Å; E497-M501 HydrophobicContact CG-SD 4.32Å; E497-M501 WeakPolarHBondContact O-CG 3.46Å; E497-M501 PolarHBondContact O-N 3.18Å
498V94.6Very high91.7Very high27 Ų2755 Ų5516%0.16427%0.272CS..Hα-helixtrans-62.6-32.1176.6-179.90000112.4V414 A488 N492 H496 M501 A502V414-V498 HydrophobicContact CG1-CG1 3.92Å; V414-V498 HydrophobicContact CG1-CG2 3.99Å; A488-V498 HydrophobicContact CB-CG1 4.19Å; N492-V498 HydrophobicContact CB-CB 4.42Å; N492-V498 WeakPolarHBondContact ND2-CG1 3.14Å; H496-V498 VanDerWaalsContact C-N 3.26Å; H496-V498 PolarHBondContact O-N 2.95Å; V498-M501 HydrophobicContact CG2-CE 4Å; V498-A502 VanDerWaalsContact O-CB 3.31Å; V498-A502 WeakPolarHBondContact O-CB 3.37Å; V498-A502 PolarHBondContact O-N 2.99Å
499H93Very high91.7Very high14 Ų1454.7 Ų54.77%0.06527%0.27CS..Hα-helixtrans-66.2-43.1175-171.1111.9000111R489 N492 S493 H496 E497 G503R489-H499 PolarHBondContact NE-NE2 3.09Å; R489-H499 PolarHBondContact NH2-NE2 2.61Å; R489-H499 PolarHBondContact O-CE1 2.82Å; R489-H499 PolarHBondContact O-ND1 3.35Å; N492-H499 HydrophobicContact CB-CB 4.03Å; N492-H499 PolarHBondContact O-ND1 2.86Å; S493-H499 VanDerWaalsContact O-CB 3.22Å; S493-H499 WeakPolarHBondContact O-CB 3.35Å; H496-H499 WeakPolarHBondContact O-CB 3.48Å; H496-H499 PolarHBondContact O-N 2.73Å; E497-H499 VanDerWaalsContact C-N 3.27Å; E497-H499 PolarHBondContact O-N 3.43Å; H499-G503 PolarHBondContact O-N 3.34Å
500R93.4Very high91.7Very high101 Ų10152.7 Ų52.738%0.38126%0.263SS..Hα-helixtrans-63.7-49.4174179.2-17367.178.2-2.1111.2H496 E497 A502 G503 E504H496-R500 PolarHBondContact O-N 3.25Å; E497-R500 WeakPolarHBondContact O-CB 3.48Å; E497-R500 PolarHBondContact O-N 2.94Å; E497-R500 VanDerWaalsContact O-N 3.15Å; E497-R500 IonicContact OE1-CZ 3.83Å; E497-R500 IonicContact OE1-NH2 2.67Å; E497-R500 PolarHBondContact OE1-NH2 3.05Å; R500-A502 VanDerWaalsContact C-N 3.31Å; R500-A502 PolarHBondContact O-N 3.21Å; R500-G503 PolarHBondContact O-N 2.95Å; R500-G503 VanDerWaalsContact O-N 3.15Å; R500-E504 WeakPolarHBondContact CD-OE1 3.32Å; R500-E504 VanDerWaalsContact CG-OE1 3.23Å; R500-E504 WeakPolarHBondContact CG-OE1 3.46Å; R500-E504 IonicContact CZ-OE1 3.7Å; R500-E504 IonicContact NE-OE1 3.99Å; R500-E504 IonicContact NH1-OE1 2.67Å; R500-E504 PolarHBondContact NH1-OE1 3.36Å; R500-E504 IonicContact NH1-OE2 3.09Å; R500-E504 PolarHBondContact NH1-OE2 3.15Å; R500-E504 VanDerWaalsContact NH1-OE2 3.09Å; R500-E504 PolarHBondContact O-N 3.37Å
501M94.7Very high91.5Very high6 Ų649.5 Ų49.53%0.0325%0.254CS..Hα-helixtrans-61.3-36.9-179.5-71-169.7-72.600112.5H411 V414 E497 V498 M505H411-M501 HydrophobicContact CB-CB 4.12Å; H411-M501 HydrophobicContact CB-CG 4.46Å; H411-M501 HydrophobicContact CB-SD 4.48Å; H411-M501 PolarHBondContact CD2-O 3.06Å; V414-M501 HydrophobicContact CG1-CE 4.49Å; V414-M501 HydrophobicContact CG2-CE 3.61Å; V414-M501 HydrophobicContact CG2-SD 3.88Å; E497-M501 HydrophobicContact CB-CE 4.21Å; E497-M501 HydrophobicContact CG-CE 3.92Å; E497-M501 HydrophobicContact CG-CG 4.23Å; E497-M501 HydrophobicContact CG-SD 4.32Å; E497-M501 WeakPolarHBondContact O-CG 3.46Å; E497-M501 PolarHBondContact O-N 3.18Å; V498-M501 HydrophobicContact CG2-CE 4Å; M501-M505 WeakPolarHBondContact O-CB 3.19Å; M501-M505 PolarHBondContact O-N 3.46Å
502A93.9Very high91.4Very high0 Ų051.7 Ų51.70%027%0.266CS..Hα-helixtrans-66.8-40.4173.700000112.9F415 F485 A488 R489 V498 R500 Y506F415-A502 HydrophobicContact CE1-CB 4.3Å; F415-A502 HydrophobicContact CZ-CB 3.9Å; F485-A502 HydrophobicContact CD1-CB 4.46Å; A488-A502 HydrophobicContact CB-CB 3.74Å; R489-A502 HydrophobicContact CG-CB 3.78Å; V498-A502 VanDerWaalsContact O-CB 3.31Å; V498-A502 WeakPolarHBondContact O-CB 3.37Å; V498-A502 PolarHBondContact O-N 2.99Å; R500-A502 VanDerWaalsContact C-N 3.31Å; R500-A502 PolarHBondContact O-N 3.21Å; A502-Y506 VanDerWaalsContact O-CB 3.26Å; A502-Y506 WeakPolarHBondContact O-CB 3.45Å; A502-Y506 PolarHBondContact O-N 3.15Å
503G89.9Confident91.3Very high21 Ų2150.7 Ų50.722%0.21626%0.261CS..Hα-helixtrans-66.3-45175.600000113H499 R500 H507H499-G503 PolarHBondContact O-N 3.34Å; R500-G503 PolarHBondContact O-N 2.95Å; R500-G503 VanDerWaalsContact O-N 3.15Å; G503-H507 PolarHBondContact O-N 3.16Å; G503-H507 VanDerWaalsContact O-N 3.15Å
504E92.3Very high91.3Very high53 Ų5352.1 Ų52.125%0.24826%0.259CS..Hα-helixtrans-62.8-49.8175.1-76.6177-153.300111.7R410 H411 R500 Y506 H507 D508R410-E504 IonicContact CZ-OE2 3.25Å; R410-E504 VanDerWaalsContact CZ-OE2 3.25Å; R410-E504 IonicContact NH1-OE2 2.74Å; R410-E504 PolarHBondContact NH1-OE2 3.38Å; R410-E504 IonicContact NH2-OE2 2.94Å; R410-E504 PolarHBondContact NH2-OE2 2.89Å; H411-E504 IonicContact CD2-OE2 3.85Å; H411-E504 IonicContact CE1-OE2 3.7Å; H411-E504 IonicContact NE2-OE2 2.82Å; H411-E504 PolarHBondContact NE2-OE2 3.19Å; R500-E504 WeakPolarHBondContact CD-OE1 3.32Å; R500-E504 VanDerWaalsContact CG-OE1 3.23Å; R500-E504 WeakPolarHBondContact CG-OE1 3.46Å; R500-E504 IonicContact CZ-OE1 3.7Å; R500-E504 IonicContact NE-OE1 3.99Å; R500-E504 IonicContact NH1-OE1 2.67Å; R500-E504 PolarHBondContact NH1-OE1 3.36Å; R500-E504 IonicContact NH1-OE2 3.09Å; R500-E504 PolarHBondContact NH1-OE2 3.15Å; R500-E504 VanDerWaalsContact NH1-OE2 3.09Å; R500-E504 PolarHBondContact O-N 3.37Å; E504-Y506 VanDerWaalsContact C-N 3.33Å; E504-Y506 PolarHBondContact O-N 2.92Å; E504-H507 PolarHBondContact O-N 3.09Å; E504-D508 WeakPolarHBondContact O-CB 3.12Å; E504-D508 PolarHBondContact O-N 2.99Å
505M95.4Very high91.4Very high0 Ų051.5 Ų51.50%026%0.263CS..Hα-helixtrans-65.7-34.6-179.4-174.4165.3169.600112.6V406 H409 H411 A412 F415 M484 F485 M501 V509V406-M505 HydrophobicContact CG1-CE 3.51Å; V406-M505 WeakPolarHBondContact O-CE 3.35Å; H409-M505 HydrophobicContact CB-CE 4.02Å; H409-M505 HydrophobicContact CB-CG 4.34Å; H409-M505 HydrophobicContact CB-SD 4.26Å; H409-M505 WeakPolarHBondContact ND1-CG 3.2Å; H409-M505 PolarHBondContact ND1-SD 2.88Å; H409-M505 VanDerWaalsContact ND1-SD 3.44Å; H411-M505 HydrophobicContact CB-CB 4.33Å; H411-M505 HydrophobicContact CB-SD 4.1Å; A412-M505 HydrophobicContact CB-CE 4.07Å; F415-M505 HydrophobicContact CD2-CE 4.47Å; F415-M505 HydrophobicContact CD2-SD 3.64Å; F415-M505 HydrophobicContact CE2-SD 3.68Å; M484-M505 HydrophobicContact CE-CE 4.38Å; F485-M505 HydrophobicContact CE1-CB 3.79Å; F485-M505 HydrophobicContact CE1-CE 4.39Å; F485-M505 HydrophobicContact CE1-CG 3.55Å; F485-M505 HydrophobicContact CE1-SD 4.08Å; F485-M505 HydrophobicContact CZ-CB 4.33Å; F485-M505 HydrophobicContact CZ-CE 4.46Å; F485-M505 HydrophobicContact CZ-CG 3.81Å; M501-M505 WeakPolarHBondContact O-CB 3.19Å; M501-M505 PolarHBondContact O-N 3.46Å; M505-V509 HydrophobicContact CE-CG2 4.25Å; M505-V509 HydrophobicContact CG-CG2 3.85Å; M505-V509 WeakPolarHBondContact O-CB 3.5Å; M505-V509 WeakPolarHBondContact O-CG2 3.44Å; M505-V509 PolarHBondContact O-N 3.4Å
506Y92.8Very high91.4Very high42 Ų4246 Ų4617%0.16523%0.233CC..Hα-helixtrans-59.4-49.8170.9166.5-103.2000111.7L482 F485 A502 E504 I510 P531 L533L482-Y506 HydrophobicContact CD2-CD2 4.3Å; L482-Y506 HydrophobicContact CD2-CE2 3.68Å; F485-Y506 AromaticContact CD2-CD2 3.81Å; F485-Y506 HydrophobicContact CD2-CD2 3.81Å; F485-Y506 HydrophobicContact CD2-CG 4.25Å; F485-Y506 HydrophobicContact CE2-CD2 4.23Å; A502-Y506 VanDerWaalsContact O-CB 3.26Å; A502-Y506 WeakPolarHBondContact O-CB 3.45Å; A502-Y506 PolarHBondContact O-N 3.15Å; E504-Y506 VanDerWaalsContact C-N 3.33Å; E504-Y506 PolarHBondContact O-N 2.92Å; Y506-I510 HydrophobicContact CD2-CG1 3.86Å; Y506-I510 HydrophobicContact CE2-CG1 3.76Å; Y506-I510 VanDerWaalsContact O-CB 3.31Å; Y506-I510 WeakPolarHBondContact O-CB 3.05Å; Y506-I510 WeakPolarHBondContact O-CG1 3.44Å; Y506-I510 PolarHBondContact O-N 3.16Å; Y506-P531 WeakPolarHBondContact OH-CB 3.34Å; Y506-L533 HydrophobicContact CE1-CD2 3.73Å
507H89Confident91.4Very high77 Ų7742 Ų4236%0.35622%0.215SC..Hα-helixtrans-63.1-51.1-179.6175.7-85.4000111.8G503 E504 G511 L533G503-H507 PolarHBondContact O-N 3.16Å; G503-H507 VanDerWaalsContact O-N 3.15Å; E504-H507 PolarHBondContact O-N 3.09Å; H507-G511 PolarHBondContact O-N 2.89Å; H507-L533 VanDerWaalsContact O-CD1 3.29Å; H507-L533 WeakPolarHBondContact O-CD1 3.35Å
508D91.4Very high91Very high45 Ų4539.5 Ų39.524%0.24121%0.209CC..Hα-helixtrans-64.4-48.2-175.8-63.5-10.9000110.7H409 R410 E504 G511 E512H409-D508 IonicContact NE2-OD2 3.61Å; H409-D508 PolarHBondContact NE2-OD2 3.44Å; R410-D508 IonicContact CZ-OD2 2.74Å; R410-D508 IonicContact NE-OD2 3.86Å; R410-D508 IonicContact NH2-OD2 3.64Å; R410-D508 PolarHBondContact NH2-OD2 3.19Å; E504-D508 WeakPolarHBondContact O-CB 3.12Å; E504-D508 PolarHBondContact O-N 2.99Å; D508-G511 PolarHBondContact O-N 2.74Å; D508-E512 WeakPolarHBondContact O-CG 3.41Å; D508-E512 PolarHBondContact O-N 3.12Å
509V93.4Very high90.6Very high0 Ų042 Ų420%022%0.22CC..Hα-helixtrans-64.7-47179.4168.20000112.4V406 H409 L481 M505 G511 E512 L513V406-V509 HydrophobicContact CG2-CG1 3.83Å; H409-V509 HydrophobicContact CB-CG2 4.3Å; L481-V509 HydrophobicContact CD1-CG1 4.35Å; M505-V509 HydrophobicContact CE-CG2 4.25Å; M505-V509 HydrophobicContact CG-CG2 3.85Å; M505-V509 WeakPolarHBondContact O-CB 3.5Å; M505-V509 WeakPolarHBondContact O-CG2 3.44Å; M505-V509 PolarHBondContact O-N 3.4Å; V509-G511 VanDerWaalsContact C-N 3.27Å; V509-G511 PolarHBondContact O-N 3Å; V509-E512 PolarHBondContact O-N 3.22Å; V509-L513 HydrophobicContact CG1-CD1 3.71Å; V509-L513 HydrophobicContact CG1-CG 4.16Å; V509-L513 WeakPolarHBondContact O-CB 3.49Å; V509-L513 WeakPolarHBondContact O-CG 3.06Å; V509-L513 PolarHBondContact O-N 3.01Å
510I89.9Confident90.2Very high6 Ų641.3 Ų41.33%0.03122%0.217CC..Hα-helixtrans-67.6-32.3-177.6-63.3-66.2000110.8Y506 Q514 L530 L533Y506-I510 HydrophobicContact CD2-CG1 3.86Å; Y506-I510 HydrophobicContact CE2-CG1 3.76Å; Y506-I510 VanDerWaalsContact O-CB 3.31Å; Y506-I510 WeakPolarHBondContact O-CB 3.05Å; Y506-I510 WeakPolarHBondContact O-CG1 3.44Å; Y506-I510 PolarHBondContact O-N 3.16Å; I510-Q514 PolarHBondContact O-N 3.04Å; I510-L530 HydrophobicContact CD1-CD2 4.12Å; I510-L530 HydrophobicContact CG2-CB 4.33Å; I510-L530 HydrophobicContact CG2-CD1 4.4Å; I510-L533 HydrophobicContact CB-CD1 3.95Å; I510-L533 HydrophobicContact CB-CG 4.4Å; I510-L533 HydrophobicContact CG2-CD1 3.92Å; I510-L533 HydrophobicContact CG2-CG 3.95Å
511G87.6Confident89.8Confident27 Ų2738.8 Ų38.828%0.27822%0.218SC..Hα-helixtrans-65.3-48.9170.300000113.3H507 D508 V509 L513 Q514H507-G511 PolarHBondContact O-N 2.89Å; D508-G511 PolarHBondContact O-N 2.74Å; V509-G511 VanDerWaalsContact C-N 3.27Å; V509-G511 PolarHBondContact O-N 3Å; G511-L513 VanDerWaalsContact C-N 3.31Å; G511-L513 PolarHBondContact O-N 2.87Å; G511-Q514 WeakPolarHBondContact O-CB 3.4Å; G511-Q514 PolarHBondContact O-N 2.88Å
512E90.4Very high89.3Confident112 Ų11245.9 Ų45.952%0.52325%0.251SS..Hα-helixtrans-63.9-33.4178-76-175.1-134.800113.1T405 D508 V509 P515T405-E512 HydrophobicContact CG2-CB 3.73Å; T405-E512 WeakPolarHBondContact CG2-OE2 3.31Å; D508-E512 WeakPolarHBondContact O-CG 3.41Å; D508-E512 PolarHBondContact O-N 3.12Å; V509-E512 PolarHBondContact O-N 3.22Å; E512-P515 WeakPolarHBondContact O-CD 3.4Å
513L90.7Very high88.7Confident1 Ų149.4 Ų49.41%0.00527%0.27CS..Hα-helixtrans-74.5-22.8177-70.1178.9000113.7A402 T405 F477 L481 V509 G511 L516 W517 L530A402-L513 HydrophobicContact CB-CD2 3.46Å; A402-L513 VanDerWaalsContact CB-CD2 3.46Å; T405-L513 HydrophobicContact CG2-CD2 4.24Å; T405-L513 HydrophobicContact CG2-CG 4.5Å; F477-L513 HydrophobicContact CE1-CD1 3.87Å; F477-L513 HydrophobicContact CZ-CD1 4.42Å; L481-L513 HydrophobicContact CD1-CD1 4.29Å; V509-L513 HydrophobicContact CG1-CD1 3.71Å; V509-L513 HydrophobicContact CG1-CG 4.16Å; V509-L513 WeakPolarHBondContact O-CB 3.49Å; V509-L513 WeakPolarHBondContact O-CG 3.06Å; V509-L513 PolarHBondContact O-N 3.01Å; G511-L513 VanDerWaalsContact C-N 3.31Å; G511-L513 PolarHBondContact O-N 2.87Å; L513-L516 PolarHBondContact O-N 2.9Å; L513-W517 HydrophobicContact CB-CE3 4.18Å; L513-W517 HydrophobicContact CD1-CZ3 4.32Å; L513-W517 HydrophobicContact CD2-CZ3 4.33Å; L513-W517 PolarHBondContact O-N 2.83Å; L513-L530 HydrophobicContact CB-CD1 3.83Å
514Q87.4Confident88.3Confident112 Ų11248.4 Ų48.452%0.52326%0.26SS..Hα-helixtrans-53.7-48.1-171.2-174.6-177.8-2.700114.5I510 G511 L516 W517 S518I510-Q514 PolarHBondContact O-N 3.04Å; G511-Q514 WeakPolarHBondContact O-CB 3.4Å; G511-Q514 PolarHBondContact O-N 2.88Å; Q514-L516 VanDerWaalsContact C-N 3.35Å; Q514-L516 PolarHBondContact O-N 3.15Å; Q514-W517 PolarHBondContact O-N 2.85Å; Q514-S518 PolarHBondContact O-N 3.19Å; Q514-S518 PolarHBondContact O-OG 2.76Å
515P87Confident87.7Confident83 Ų8351.3 Ų51.354%0.53928%0.283SS..Hα-helixtrans-65.2-38.8-177.3-20.333.8000112.5E512 W517 I519E512-P515 WeakPolarHBondContact O-CD 3.4Å; P515-W517 VanDerWaalsContact C-N 3.35Å; P515-I519 WeakPolarHBondContact O-CG1 3.41Å; P515-I519 PolarHBondContact O-N 3.15Å
516L87.6Confident87Confident40 Ų4053.8 Ų53.821%0.20931%0.309CS..Hα-helixtrans-66.4-39.4176.5-178.762.1000111.2A402 L513 Q514 I519 M520A402-L516 HydrophobicContact CB-CD2 4.07Å; L513-L516 PolarHBondContact O-N 2.9Å; Q514-L516 VanDerWaalsContact C-N 3.35Å; Q514-L516 PolarHBondContact O-N 3.15Å; L516-I519 PolarHBondContact O-N 3.03Å; L516-M520 WeakPolarHBondContact O-CG 3.22Å; L516-M520 PolarHBondContact O-N 3.47Å; L516-M520 VanDerWaalsContact O-N 3.1Å
517W89.8Confident86.7Confident8 Ų852.7 Ų52.73%0.0331%0.305CS..Hα-helixtrans-69.3-37.7179.7-126.3-94.2000113.3L399 A402 A474 F477 I478 L513 Q514 P515 M520 A521 F527 P528 L530L399-W517 HydrophobicContact CD2-CH2 4.2Å; A402-W517 HydrophobicContact CB-CZ3 3.82Å; A474-W517 HydrophobicContact CB-CZ2 4.04Å; F477-W517 AromaticContact CD1-CH2 3.51Å; F477-W517 HydrophobicContact CD1-CH2 3.51Å; F477-W517 HydrophobicContact CD1-CZ2 4.35Å; F477-W517 HydrophobicContact CD1-CZ3 4.2Å; F477-W517 AromaticContact CE1-CH2 3.77Å; F477-W517 HydrophobicContact CE1-CH2 3.77Å; F477-W517 AromaticContact CE1-CZ3 3.98Å; F477-W517 HydrophobicContact CE1-CZ3 3.98Å; I478-W517 HydrophobicContact CD1-CZ2 3.77Å; I478-W517 HydrophobicContact CG1-CZ2 3.78Å; L513-W517 HydrophobicContact CB-CE3 4.18Å; L513-W517 HydrophobicContact CD1-CZ3 4.32Å; L513-W517 HydrophobicContact CD2-CZ3 4.33Å; L513-W517 PolarHBondContact O-N 2.83Å; Q514-W517 PolarHBondContact O-N 2.85Å; P515-W517 VanDerWaalsContact C-N 3.35Å; W517-M520 PolarHBondContact O-N 3.09Å; W517-A521 WeakPolarHBondContact O-CB 3.22Å; W517-A521 PolarHBondContact O-N 3.32Å; W517-F527 AromaticContact CD1-CD1 3.95Å; W517-F527 AromaticContact CD1-CE1 3.5Å; W517-F527 VanDerWaalsContact CD1-CE1 3.5Å; W517-F527 HydrophobicContact CD2-CE1 4.09Å; W517-F527 AromaticContact CE2-CE1 3.61Å; W517-F527 HydrophobicContact CG-CE1 4.03Å; W517-F527 HydrophobicContact CZ2-CE1 4.18Å; W517-F527 HydrophobicContact CZ2-CZ 4.11Å; W517-F527 AromaticContact NE1-CD1 3.88Å; W517-F527 AromaticContact NE1-CE1 3.24Å; W517-P528 VanDerWaalsContact CD1-O 3.22Å; W517-P528 PolarHBondContact NE1-O 2.67Å; W517-L530 HydrophobicContact CB-CD1 3.67Å; W517-L530 HydrophobicContact CB-CG 3.92Å; W517-L530 HydrophobicContact CD2-CD1 4.06Å; W517-L530 HydrophobicContact CD2-CD2 3.76Å; W517-L530 HydrophobicContact CD2-CG 3.8Å; W517-L530 HydrophobicContact CE3-CD1 4.39Å; W517-L530 HydrophobicContact CE3-CD2 4.22Å; W517-L530 HydrophobicContact CE3-CG 4.49Å; W517-L530 HydrophobicContact CG-CD1 3.74Å; W517-L530 HydrophobicContact CG-CD2 4.01Å; W517-L530 HydrophobicContact CG-CG 3.49Å; W517-L530 VanDerWaalsContact CG-CG 3.49Å; W517-L530 HydrophobicContact CZ2-CD2 4.33Å
518S87.1Confident86.6Confident54 Ų5449.9 Ų49.938%0.37829%0.293SS..Hα-helixtrans-59.3-48.7173.4-62.20000111.3Q514 M520 A521 E522Q514-S518 PolarHBondContact O-N 3.19Å; Q514-S518 PolarHBondContact O-OG 2.76Å; S518-M520 VanDerWaalsContact C-N 3.29Å; S518-M520 PolarHBondContact O-N 3.39Å; S518-A521 PolarHBondContact O-N 2.98Å; S518-E522 WeakPolarHBondContact O-CG 3.19Å; S518-E522 PolarHBondContact O-N 2.94Å
519I85.2Confident86.4Confident79 Ų7951.3 Ų51.341%0.40531%0.307SS..Hα-helixtrans-59.7-40.6177.7-63.9164.5000111.1W395 P515 L516 D523W395-I519 HydrophobicContact CH2-CG2 4.39Å; P515-I519 WeakPolarHBondContact O-CG1 3.41Å; P515-I519 PolarHBondContact O-N 3.15Å; L516-I519 PolarHBondContact O-N 3.03Å; I519-D523 PolarHBondContact O-N 2.83Å; I519-D523 VanDerWaalsContact O-N 3.13Å
520M85.7Confident85.9Confident0 Ų052.2 Ų52.20%031%0.312CS..Hα-helixtrans-68.1-33.5175.1-70.3-170.376.400113W395 S398 L399 I470 L516 W517 S518 I524 F527W395-M520 HydrophobicContact CB-CE 4.28Å; W395-M520 HydrophobicContact CD2-CE 4.33Å; W395-M520 HydrophobicContact CE3-CE 3.82Å; W395-M520 HydrophobicContact CE3-CG 3.69Å; W395-M520 HydrophobicContact CE3-SD 4.26Å; W395-M520 HydrophobicContact CH2-CG 4.49Å; W395-M520 HydrophobicContact CZ3-CB 4.4Å; W395-M520 HydrophobicContact CZ3-CG 3.53Å; S398-M520 VanDerWaalsContact CB-SD 3.57Å; L399-M520 HydrophobicContact CD2-CE 4.22Å; L399-M520 HydrophobicContact CG-CE 4.06Å; I470-M520 HydrophobicContact CG2-CE 3.83Å; L516-M520 WeakPolarHBondContact O-CG 3.22Å; L516-M520 PolarHBondContact O-N 3.47Å; L516-M520 VanDerWaalsContact O-N 3.1Å; W517-M520 PolarHBondContact O-N 3.09Å; S518-M520 VanDerWaalsContact C-N 3.29Å; S518-M520 PolarHBondContact O-N 3.39Å; M520-I524 HydrophobicContact CE-CD1 4.09Å; M520-I524 WeakPolarHBondContact O-CB 3.39Å; M520-I524 VanDerWaalsContact O-CG1 3.31Å; M520-I524 WeakPolarHBondContact O-CG1 3.4Å; M520-I524 PolarHBondContact O-N 2.74Å; M520-F527 HydrophobicContact CB-CD1 3.74Å; M520-F527 HydrophobicContact CB-CE1 3.33Å; M520-F527 HydrophobicContact CB-CE2 4.26Å; M520-F527 HydrophobicContact CB-CG 4.36Å; M520-F527 HydrophobicContact CB-CZ 3.65Å; M520-F527 HydrophobicContact CE-CE1 4.3Å; M520-F527 HydrophobicContact CE-CE2 3.53Å; M520-F527 HydrophobicContact CE-CZ 3.37Å; M520-F527 HydrophobicContact CG-CE1 4.28Å; M520-F527 HydrophobicContact CG-CZ 4.23Å; M520-F527 HydrophobicContact SD-CE1 4.15Å; M520-F527 HydrophobicContact SD-CE2 4.41Å; M520-F527 HydrophobicContact SD-CZ 3.65Å
521A84.9Confident85.3Confident49 Ų4952.9 Ų52.941%0.40532%0.316SS..Hα-helixtrans-76.9-27.4178.100000113.6W517 S518 F527W517-A521 WeakPolarHBondContact O-CB 3.22Å; W517-A521 PolarHBondContact O-N 3.32Å; S518-A521 PolarHBondContact O-N 2.98Å; A521-F527 HydrophobicContact CB-CB 4.43Å; A521-F527 HydrophobicContact CB-CD1 4.24Å
522E83.8Confident84.2Confident155 Ų15557.9 Ų57.972%0.72433%0.33SS*.Hα-helixtrans-72.4-47.7172-72.6168.9-160.100111.4S518S518-E522 WeakPolarHBondContact O-CG 3.19Å; S518-E522 PolarHBondContact O-N 2.94Å
523D80.6Confident82.6Confident74 Ų7453.9 Ų53.940%0.39631%0.313SS..Hα-helixtrans-79.4-16.5-178.6-79.6-14.3000114.1R394 W395 I519R394-D523 IonicContact CZ-OD2 2.72Å; R394-D523 IonicContact NE-OD2 2.84Å; R394-D523 IonicContact NH2-OD2 3.19Å; R394-D523 PolarHBondContact NH2-OD2 2.94Å; W395-D523 HydrophobicContact CH2-CB 3.62Å; W395-D523 WeakPolarHBondContact CH2-OD2 3.36Å; W395-D523 HydrophobicContact CZ2-CB 3.33Å; W395-D523 WeakPolarHBondContact CZ2-OD2 3.39Å; I519-D523 PolarHBondContact O-N 2.83Å; I519-D523 VanDerWaalsContact O-N 3.13Å
524I82.6Confident80.3Confident0 Ų058 Ų580%033%0.334CS..SBendtrans-125.1103.5-174.3-51.3177.5000111.8W395 Y467 I470 I471 M520 G526 F527W395-I524 HydrophobicContact CD2-CD1 3.83Å; W395-I524 HydrophobicContact CD2-CG1 4.47Å; W395-I524 HydrophobicContact CE3-CD1 4.42Å; W395-I524 HydrophobicContact CG-CD1 3.87Å; W395-I524 HydrophobicContact CZ2-CG1 4.4Å; Y467-I524 HydrophobicContact CD1-CB 4.33Å; Y467-I524 HydrophobicContact CD1-CD1 4.43Å; Y467-I524 HydrophobicContact CD1-CG1 3.97Å; Y467-I524 HydrophobicContact CD1-CG2 3.78Å; Y467-I524 HydrophobicContact CE1-CG1 4.06Å; Y467-I524 HydrophobicContact CG-CG2 4.43Å; I470-I524 HydrophobicContact CG2-CD1 3.58Å; I471-I524 HydrophobicContact CD1-CG2 3.84Å; I471-I524 HydrophobicContact CG1-CG2 3.76Å; M520-I524 HydrophobicContact CE-CD1 4.09Å; M520-I524 WeakPolarHBondContact O-CB 3.39Å; M520-I524 VanDerWaalsContact O-CG1 3.31Å; M520-I524 WeakPolarHBondContact O-CG1 3.4Å; M520-I524 PolarHBondContact O-N 2.74Å; I524-G526 PolarHBondContact O-N 3.09Å; I524-F527 HydrophobicContact CB-CB 4.12Å; I524-F527 HydrophobicContact CB-CD2 4.26Å; I524-F527 HydrophobicContact CB-CG 4.43Å; I524-F527 HydrophobicContact CD1-CD2 4.02Å; I524-F527 HydrophobicContact CD1-CE2 4.24Å; I524-F527 HydrophobicContact CG2-CB 4.28Å; I524-F527 HydrophobicContact CG2-CD2 4.2Å; I524-F527 WeakPolarHBondContact O-CB 3.42Å; I524-F527 PolarHBondContact O-N 2.82Å
525P78.6Confident78Confident113 Ų11357.3 Ų57.373%0.73433%0.334SS*.THydrogen-bonded Turntrans-57.3121.5175.5-26.935.7000113I471I471-P525 WeakPolarHBondContact CD1-O 3.3Å
526G81.6Confident75.3Confident52 Ų5258 Ų5854%0.53634%0.339SS..THydrogen-bonded Turntrans84.112.7178.300000115.6R475 I524R475-G526 PolarHBondContact NH2-O 2.79Å; I524-G526 PolarHBondContact O-N 3.09Å
527F85.8Confident72.6Confident19 Ų1961.4 Ų61.48%0.08336%0.363CS..PPolyproline II helixtrans-58143.1170.1-159.1-112.5000111.9I470 I471 A474 W517 M520 A521 I524I470-F527 HydrophobicContact CG2-CD2 4.49Å; I470-F527 HydrophobicContact CG2-CE2 3.94Å; I471-F527 HydrophobicContact CG1-CD2 4.17Å; A474-F527 HydrophobicContact CB-CD2 4.24Å; A474-F527 HydrophobicContact CB-CE1 4.41Å; A474-F527 HydrophobicContact CB-CE2 3.34Å; A474-F527 HydrophobicContact CB-CZ 3.45Å; A474-F527 VanDerWaalsContact CB-CZ 3.45Å; W517-F527 AromaticContact CD1-CD1 3.95Å; W517-F527 AromaticContact CD1-CE1 3.5Å; W517-F527 VanDerWaalsContact CD1-CE1 3.5Å; W517-F527 HydrophobicContact CD2-CE1 4.09Å; W517-F527 AromaticContact CE2-CE1 3.61Å; W517-F527 HydrophobicContact CG-CE1 4.03Å; W517-F527 HydrophobicContact CZ2-CE1 4.18Å; W517-F527 HydrophobicContact CZ2-CZ 4.11Å; W517-F527 AromaticContact NE1-CD1 3.88Å; W517-F527 AromaticContact NE1-CE1 3.24Å; M520-F527 HydrophobicContact CB-CD1 3.74Å; M520-F527 HydrophobicContact CB-CE1 3.33Å; M520-F527 HydrophobicContact CB-CE2 4.26Å; M520-F527 HydrophobicContact CB-CG 4.36Å; M520-F527 HydrophobicContact CB-CZ 3.65Å; M520-F527 HydrophobicContact CE-CE1 4.3Å; M520-F527 HydrophobicContact CE-CE2 3.53Å; M520-F527 HydrophobicContact CE-CZ 3.37Å; M520-F527 HydrophobicContact CG-CE1 4.28Å; M520-F527 HydrophobicContact CG-CZ 4.23Å; M520-F527 HydrophobicContact SD-CE1 4.15Å; M520-F527 HydrophobicContact SD-CE2 4.41Å; M520-F527 HydrophobicContact SD-CZ 3.65Å; A521-F527 HydrophobicContact CB-CB 4.43Å; A521-F527 HydrophobicContact CB-CD1 4.24Å; I524-F527 HydrophobicContact CB-CB 4.12Å; I524-F527 HydrophobicContact CB-CD2 4.26Å; I524-F527 HydrophobicContact CB-CG 4.43Å; I524-F527 HydrophobicContact CD1-CD2 4.02Å; I524-F527 HydrophobicContact CD1-CE2 4.24Å; I524-F527 HydrophobicContact CG2-CB 4.28Å; I524-F527 HydrophobicContact CG2-CD2 4.2Å; I524-F527 WeakPolarHBondContact O-CB 3.42Å; I524-F527 PolarHBondContact O-N 2.82Å
528P88.1Confident70Confident18 Ų1865.9 Ų65.912%0.11739%0.393CS..PPolyproline II helixtrans-73133.6-179.731.5-36.7000111.8A474 R475 I478 W517A474-P528 HydrophobicContact CB-CG 3.7Å; R475-P528 HydrophobicContact CG-CB 3.75Å; R475-P528 HydrophobicContact CG-CG 3.76Å; I478-P528 HydrophobicContact CD1-CB 3.86Å; I478-P528 HydrophobicContact CD1-CG 3.78Å; W517-P528 VanDerWaalsContact CD1-O 3.22Å; W517-P528 PolarHBondContact NE1-O 2.67Å
529S85.7Confident67.5Low75 Ų7571.8 Ų71.852%0.52442%0.415SS..PPolyproline II helixtrans-66.4142.4168.454.20000111.6
530L84.1Confident64.9Low20 Ų2073.2 Ų73.211%0.10543%0.427CS..PPolyproline II helixtrans-63.9157.7162.4-70.1176.5000111.1I478 I510 L513 W517I478-L530 HydrophobicContact CD1-CD2 4.13Å; I478-L530 HydrophobicContact CG1-CD2 3.97Å; I510-L530 HydrophobicContact CD1-CD2 4.12Å; I510-L530 HydrophobicContact CG2-CB 4.33Å; I510-L530 HydrophobicContact CG2-CD1 4.4Å; L513-L530 HydrophobicContact CB-CD1 3.83Å; W517-L530 HydrophobicContact CB-CD1 3.67Å; W517-L530 HydrophobicContact CB-CG 3.92Å; W517-L530 HydrophobicContact CD2-CD1 4.06Å; W517-L530 HydrophobicContact CD2-CD2 3.76Å; W517-L530 HydrophobicContact CD2-CG 3.8Å; W517-L530 HydrophobicContact CE3-CD1 4.39Å; W517-L530 HydrophobicContact CE3-CD2 4.22Å; W517-L530 HydrophobicContact CE3-CG 4.49Å; W517-L530 HydrophobicContact CG-CD1 3.74Å; W517-L530 HydrophobicContact CG-CD2 4.01Å; W517-L530 HydrophobicContact CG-CG 3.49Å; W517-L530 VanDerWaalsContact CG-CG 3.49Å; W517-L530 HydrophobicContact CZ2-CD2 4.33Å
531P77.9Confident62.4Low19 Ų1979.3 Ų79.312%0.12347%0.465CS..PPolyproline II helixtrans-54.1136.3163-22.133.3000111.2L482 Y506 L533L482-P531 HydrophobicContact CD1-CG 4.08Å; L482-P531 HydrophobicContact CD2-CG 4.02Å; L482-P531 HydrophobicContact CG-CG 4.4Å; Y506-P531 WeakPolarHBondContact OH-CB 3.34Å; P531-L533 PolarHBondContact O-N 3.49Å
532F63.8Low60Low132 Ų13286.6 Ų86.658%0.57948%0.482SS*.PPolyproline II helixtrans-72.6123.5177.2-68.6-83.7000111.1I174I174-F532 HydrophobicContact CD1-CD2 3.92Å; I174-F532 HydrophobicContact CD1-CE2 3.76Å
533L57.5Low57.4Low29 Ų2984.4 Ų84.415%0.15248%0.484CS..  trans-97.8112163.3-64.7178.3000109.1Y506 H507 I510 P531 L535Y506-L533 HydrophobicContact CE1-CD2 3.73Å; H507-L533 VanDerWaalsContact O-CD1 3.29Å; H507-L533 WeakPolarHBondContact O-CD1 3.35Å; I510-L533 HydrophobicContact CB-CD1 3.95Å; I510-L533 HydrophobicContact CB-CG 4.4Å; I510-L533 HydrophobicContact CG2-CD1 3.92Å; I510-L533 HydrophobicContact CG2-CG 3.95Å; P531-L533 PolarHBondContact O-N 3.49Å; L533-L535 HydrophobicContact CB-CD1 3.78Å; L533-L535 HydrophobicContact CD1-CD1 4.36Å; L533-L535 PolarHBondContact O-N 2.75Å; L533-L535 VanDerWaalsContact O-N 3.11Å
534N42.5Very low55.3Low86 Ų8687.4 Ų87.446%0.4650%0.499SS..  trans-79.789168.4-80.3-10.3000109.5E177 I185 P536E177-N534 PolarHBondContact OE1-ND2 2.95Å; E177-N534 VanDerWaalsContact OE2-CB 3.32Å; E177-N534 WeakPolarHBondContact OE2-CB 3.36Å; E177-N534 PolarHBondContact OE2-ND2 3.34Å; I185-N534 WeakPolarHBondContact CD1-O 3.23Å; N534-P536 WeakPolarHBondContact O-CD 3.47Å
535L38.4Very low53Low98 Ų9896.1 Ų96.151%0.51354%0.539SS..PPolyproline II helixtrans-72.1116.5171.4-98.470.4000111.2L533L533-L535 HydrophobicContact CB-CD1 3.78Å; L533-L535 HydrophobicContact CD1-CD1 4.36Å; L533-L535 PolarHBondContact O-N 2.75Å; L533-L535 VanDerWaalsContact O-N 3.11Å
536P29.1Very low51Low99 Ų9998.6 Ų98.664%0.64354%0.541SS*.PPolyproline II helixtrans-64.5144.213532.2-32.5000108.3N534N534-P536 WeakPolarHBondContact O-CD 3.47Å
537P31.4Very low48.6Very low111 Ų111102.2 Ų102.272%0.72156%0.555SS**PPolyproline II helixtrans-64.6140.2178.827.2-34.4000110.5Q539P537-Q539 PolarHBondContact O-N 3.3Å; P537-Q539 VanDerWaalsContact O-N 3.08Å
538P36Very low46.2Very low101 Ų101107.7 Ų107.766%0.65659%0.59SS**  trans-63.9114.9179.325.3-33.5000110T540P538-T540 PolarHBondContact O-N 3.08Å; P538-T540 PolarHBondContact O-OG1 2.67Å
539Q33.5Very low43.9Very low179 Ų179114.3 Ų114.384%0.83662%0.624SS**  trans-68.482.9172.7-71.3-164.11100109.6P537 T541P537-Q539 PolarHBondContact O-N 3.3Å; P537-Q539 VanDerWaalsContact O-N 3.08Å; Q539-T541 VanDerWaalsContact C-N 3.28Å; Q539-T541 PolarHBondContact O-N 2.87Å
540T32.4Very low41.7Very low108 Ų108116.8 Ų116.866%0.66364%0.636SS**  trans-70.987.6175.7-50.10000108.1P538 R542P538-T540 PolarHBondContact O-N 3.08Å; P538-T540 PolarHBondContact O-OG1 2.67Å; T540-R542 HydrophobicContact CG2-CB 4.21Å; T540-R542 PolarHBondContact O-N 2.74Å
541T31.6Very low39.6Very low128 Ų128120.8 Ų120.879%0.78567%0.665SS**  trans-70.367171.948.40000110.1Q539 S543Q539-T541 VanDerWaalsContact C-N 3.28Å; Q539-T541 PolarHBondContact O-N 2.87Å; T541-S543 VanDerWaalsContact C-N 3.34Å; T541-S543 PolarHBondContact O-N 2.93Å
542R34.1Very low37.9Very low203 Ų203126.1 Ų126.177%0.76670%0.698SS**  trans-71.690.8178.5-148177.7-165.6178.45107.8T540 L544T540-R542 HydrophobicContact CG2-CB 4.21Å; T540-R542 PolarHBondContact O-N 2.74Å; R542-L544 PolarHBondContact O-N 2.78Å
543S29.3Very low36.9Very low109 Ų109123.5 Ų123.576%0.76270%0.701SS**  trans-66.581.2174.7-170.40000109.9T541 Q545T541-S543 VanDerWaalsContact C-N 3.34Å; T541-S543 PolarHBondContact O-N 2.93Å; S543-Q545 VanDerWaalsContact C-N 3.34Å; S543-Q545 PolarHBondContact O-N 3.04Å; S543-Q545 VanDerWaalsContact O-N 3.09Å
544L37.5Very low36.3Very low136 Ų136127.2 Ų127.271%0.71273%0.729SS**  trans-7788.9170.4-82.9166.8000108.3R542 Q546R542-L544 PolarHBondContact O-N 2.78Å; L544-Q546 PolarHBondContact O-N 3.09Å
545Q34.5Very low36.3Very low183 Ų183128.4 Ų128.486%0.85574%0.74SS**  trans-61104.1160.7-70.3-178.4-19.400108.5S543S543-Q545 VanDerWaalsContact C-N 3.34Å; S543-Q545 PolarHBondContact O-N 3.04Å; S543-Q545 VanDerWaalsContact O-N 3.09Å
546Q35.4Very low36.5Very low166 Ų166129.6 Ų129.678%0.77675%0.751SS**  trans-126.7115.9170-164.7168.515.900109.2L544L544-Q546 PolarHBondContact O-N 3.09Å
547P32.2Very low37.2Very low128 Ų128130.1 Ų130.183%0.83176%0.757SS**  trans-88116.4-17332.3-32.5000111.6
548T35.3Very low37.9Very low133 Ų133130.1 Ų130.182%0.81676%0.757SS**  trans-133.7146.3169.1-45.40000110.1
549L40.6Very low38.2Very low157 Ų157131.2 Ų131.282%0.82277%0.767SS**  trans-87.8146.5-162.1-68.1160.6000114.1
550V37.8Very low38.6Very low127 Ų127131 Ų13177%0.7777%0.765SS**  trans42.9116.4135.6-175.20000116.3
551S40.9Very low39.2Very low105 Ų105130.8 Ų130.873%0.73477%0.766SS**  -160.2171.576.9-153.30000116.7
552T41.3Very low39.5Very low130 Ų130129.2 Ų129.280%0.79877%0.766SS**  trans-58.9164.6-179.955.10000114.5
553A43.1Very low39.6Very low78 Ų78124.6 Ų124.665%0.64577%0.765SS**  cis-151.9144.32400000112
554S45.5Very low39.7Very low106 Ų106124.5 Ų124.574%0.74176%0.763SS**  74142.6101.482.90000115.4
555T41.7Very low39.5Very low112 Ų112125.8 Ų125.869%0.68777%0.768SS**  cis-160.2149.917.8-30.10000111.5
556T43.1Very low39.5Very low123 Ų123123.7 Ų123.776%0.75576%0.761SS**  trans56144.4155.750.20000120.7
557S43.3Very low39.6Very low109 Ų109125 Ų12576%0.76277%0.765SS**  cis-162157.3-11.3-97.30000111.2
558P46.2Very low39.7Very low112 Ų112125.2 Ų125.273%0.72776%0.758SS**  trans-118.8165.7-173.841.7-31.8000115.9
559S43.1Very low39.8Very low123 Ų123127.3 Ų127.386%0.8676%0.759SS**  trans-151.6105.1156.348.30000114.4
560H42.2Very low39.5Very low174 Ų174126.7 Ų126.781%0.80676%0.757SS**  trans-67.9-173.1166.2-84.4-84.3000113.2
561P44.9Very low39.6Very low105 Ų105126 Ų12668%0.68276%0.757SS**  cis-144.2-163.3-49.341.6-23.6000113.3
562A38.6Very low39.2Very low95 Ų95126.1 Ų126.179%0.78576%0.758SS**  trans70.5157.6142.200000120
563S34.5Very low38.7Very low105 Ų105124.3 Ų124.373%0.73476%0.756SS**  cis-169.7178.4-22.8-175.70000109.5
564C32.5Very low38.3Very low108 Ų108126.4 Ų126.473%0.7377%0.766SS**  trans92.4111.3151.7-70.60000121.8
565M34Very low37.7Very low163 Ų163130.9 Ų130.980%0.80377%0.772SS**  101.6122.2121.1-67.5-9071.700121.1
566L34.7Very low37.4Very low138 Ų138135 Ų13572%0.72378%0.784SS**  trans-66.4154.3174.8-58.9157.1000114
567K36.4Very low36.7Very low195 Ų195134.7 Ų134.785%0.84879%0.787SS**  -174.5127.7128.8-97.5171.8178-169.20106.9
568D34Very low36.2Very low131 Ų131135.2 Ų135.270%0.70179%0.79SS**  cis103.1148.543.5-74.7-36.4000111.5
569E37.8Very low35.4Very low178 Ų178134.4 Ų134.483%0.83279%0.787SS**  trans79108.2170.3-51.6-137.3125.100120.5
570D34.7Very low34.9Very low144 Ų144137.1 Ų137.177%0.7778%0.784SS**  44.3124.7125.2-69.817.3000122.6
571S38.3Very low34.6Very low112 Ų112137.4 Ų137.478%0.78378%0.783SS**  -176140.3101.8-82.70000116.4
572S32.8Very low33.9Very low107 Ų107139.9 Ų139.975%0.74879%0.788SS**  trans35.6113.7146.268.40000122.4
573A31.2Very low33.8Very low92 Ų92147.6 Ų147.676%0.7680%0.796SS**  38.5123.5123.700000121.4
574S35Very low33.8Very low122 Ų122150.2 Ų150.285%0.85380%0.797SS**  175.9151.8115.7-84.10000115
575K32.2Very low34Very low200 Ų200152.1 Ų152.187%0.8780%0.8SS**  trans-46137.3171.8-52.5154.1-178.1170.60113.2
576Q35.3Very low34.1Very low199 Ų199153.4 Ų153.493%0.9380%0.801SS**  -171164.7111.3-105.6175.61.600113.6
577S28.5Very low34.1Very low116 Ų116158 Ų15881%0.81181%0.809SS**  trans-94136.9-179.1146.40000111.4
578S33.9Very low34.5Very low120 Ų120154.7 Ų154.784%0.83981%0.807SS**  trans-149.9143.5147.162.20000111.9
579S29.8Very low34.6Very low95 Ų95152.9 Ų152.966%0.66481%0.811SS**  trans-106.3135.6177.555.80000110.4
580F32Very low34.7Very low181 Ų181151.6 Ų151.679%0.79481%0.809SS**  trans-178.6153.7159.4-88.2-54.1000107.8
581F35.2Very low34.9Very low180 Ų180152.9 Ų152.979%0.78981%0.81SS**  cis-142.3171.15-111.8-63.9000111.1
582M31.5Very low34.9Very low157 Ų157150.1 Ų150.177%0.77380%0.8SS**  trans-75.6159.1176-72.3-172.2173.500115
583R35.9Very low35.3Very low256 Ų256153.3 Ų153.397%0.96681%0.807SS**  -155147.9122.6-114.5173.5-177.8-1730.3113.2
584Q34.1Very low35.8Very low161 Ų161154 Ų15475%0.75281%0.806SS**  trans-117.8152.8177.7-66.2-178.8-11.600111.2
585N36.2Very low36.5Very low148 Ų148154.3 Ų154.379%0.79181%0.805SS**  trans165.2155148.1-93.4-31000110.1
586K35.8Very low36.9Very low190 Ų190150.4 Ų150.483%0.82680%0.803SS**  cis-164.5158.8-27-143178.2-171.5177.40108
587R34.7Very low37.2Very low234 Ų234146.3 Ų146.388%0.88380%0.797SS**  trans-92.6158.4168.9-70.6-173.2-176.4169.80.1112.1
588P46.6Very low38Very low125 Ų125146.1 Ų146.181%0.81279%0.793SS**  trans-88.2168.1151.836.2-31.5000112.4
589A35.9Very low38.1Very low94 Ų94148.1 Ų148.178%0.77779%0.793SS**  trans-160166.3-176.600000113
590L39.7Very low39Very low150 Ų150148.6 Ų148.679%0.78579%0.794SS**  trans171160.9163.2-117.661.7000105.3
591E37.4Very low39.3Very low171 Ų171152.3 Ų152.380%0.79980%0.803SS**  cis-159178.4-29.5-135.463.5-52.400105.3
592G38.9Very low39.5Very low55 Ų55153.5 Ų153.557%0.56781%0.808SS**  cis170.2153.1200000111.6
593L42.5Very low39.8Very low173 Ų173152.2 Ų152.291%0.90681%0.813SS**  trans66.6146.1166.6-48.9169.3000118
594S41Very low40Very low106 Ų106149.4 Ų149.474%0.74180%0.802SS**  cis-163.6159-22.5-95.90000110.9
595P49.1Very low40.4Very low129 Ų129148 Ų14884%0.83880%0.795SS**  trans-120.8162.8-167.141.5-31000118.5
596S41.1Very low40.6Very low118 Ų118145.6 Ų145.683%0.82579%0.79SS**  trans-172.1171.3168.565.10000110.1
597S40.6Very low40.9Very low114 Ų114142.2 Ų142.280%0.79779%0.79SS**  cis-161.7164.8-20.3-104.20000110.3
598P45.1Very low41.4Very low111 Ų111135 Ų13572%0.72179%0.789SS**  trans-138.4178-152.347-31.7000120.3
599L37.7Very low40.9Very low162 Ų162134 Ų13485%0.84879%0.785SS**  trans78.5-178.7160.5-59.8175.7000118.7
600P47Very low41.3Very low106 Ų106136.8 Ų136.869%0.68879%0.787SS**  -141.2-178.7-86.444.6-26.8000116.3
601R39.6Very low41.4Very low258 Ų258134.6 Ų134.697%0.97478%0.784SS**  trans-170.6174.3143.9-106.5152-168.7172.14.4115.4
602K38.7Very low41.7Very low206 Ų206132.1 Ų132.190%0.89678%0.78SS**  trans-115.7157-162.8-68.5176.6174.9175.20114.8
603C38Very low41.8Very low129 Ų129136.4 Ų136.487%0.87280%0.795SS**  trans-127.7-174.4147.1-157.20000110.2
604R39.9Very low41.8Very low197 Ų197132 Ų13274%0.74379%0.792SS**  trans-165.8177.8-168.6-176.5175.7171.2-128.110.4110.8
605H42.8Very low41.7Very low132 Ų132131.6 Ų131.661%0.61180%0.795SS**  trans89.6115.2166.3-59.1-79.5000115
606S40.2Very low41.5Very low98 Ų98133.5 Ų133.569%0.68580%0.796SS**  cis87.914149.971.80000112.8
607S41.6Very low41.6Very low119 Ų119134 Ų13483%0.83280%0.795SS**  cis-175.8157.3-4.240.30000109.6
608G44.9Very low42.2Very low83 Ų83135.3 Ų135.386%0.85680%0.798SS**  trans-179.6153.8171.600000113.4
609S37.9Very low42.1Very low104 Ų104140.5 Ų140.573%0.72780%0.803SS**  trans-138.4-170.1-172.359.60000112.9
610D43.2Very low42.8Very low151 Ų151138.4 Ų138.481%0.80780%0.802SS**  trans87.4147.7165.8-55.18.2000116.1
611S41.7Very low42.8Very low104 Ų104145.8 Ų145.873%0.72782%0.823SS**  cis-169.2177.8-24.6-170.90000109.3
612V43.3Very low43Very low120 Ų120140.2 Ų140.273%0.72782%0.816SS**  trans66104.5165.8-173.80000115.4
613V42Very low43.2Very low144 Ų144136.7 Ų136.787%0.87381%0.812SS**  68.1118.368.6178.30000114.4
614G42.5Very low43.5Very low82 Ų82137.2 Ų137.285%0.84581%0.808SS**  trans171.396.417200000113.4
615A39.1Very low43.7Very low97 Ų97133.6 Ų133.680%0.80281%0.812SS**  trans-112.4147.6171.200000110.1
616I45.4Very low43.8Very low168 Ų168133.8 Ų133.886%0.86283%0.825SS**  trans-156.5144.4156.9-104.9148.8000109.5
617T43.1Very low44Very low129 Ų129136.1 Ų136.179%0.79183%0.834SS**  trans-110.1142.1179.8-52.60000109.8
618T51.7Low44.2Very low141 Ų141137.4 Ų137.487%0.86583%0.834SS**  trans-150.6148.9153.5180000111.4
619R43.6Very low44.2Very low220 Ų220141.5 Ų141.583%0.8383%0.832SS**  trans-138.8126.4-179.8171.9-171.1172-162.1-1.5109.2
620S52.3Low44.7Very low118 Ų118144.7 Ų144.783%0.82584%0.841SS**  trans-171.4143.4160.8-81.30000108.4
621K48.1Very low44.8Very low262 Ų262144.1 Ų144.1100%1.13984%0.844SS**  cis-109.40-1.9-69.7176.5177.6173.60109.9

Retrieved 621 of 621 residues in 825.3 ms (Link to these results)

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