A0A077Z6T8_TRITR Loading...

Acetylcholine regulator unc 18

AlphaFold DB , UniProt , Accession A0A077Z6T8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 615 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
1M24.6Very low43.9Very low247 Ų24755.1 Ų55.1100%1.21732%0.318SS*.  081.50-77.3-177174.100106.6
2T29.3Very low46.3Very low81 Ų8155.1 Ų55.150%0.49731%0.313SS..  trans-93.7101.1175.429.50000105.7D290T2-D290 WeakPolarHBondContact CB-OD1 3.48Å; T2-D290 HydrophobicContact CG2-CB 4.42Å; T2-D290 PolarHBondContact OG1-OD1 3.02Å
3S28Very low48.3Very low78 Ų7855.2 Ų55.255%0.54532%0.316SS..  trans-63.6130.5162.356.40000106.4A5S3-A5 PolarHBondContact O-N 2.79Å; S3-A5 VanDerWaalsContact O-N 3.11Å
4A30.1Very low50.6Low57 Ų5755.7 Ų55.747%0.47131%0.31SS..  trans-45126.216200000107.4
5A38Very low52.9Low20 Ų2052.1 Ų52.117%0.16529%0.29CS..  trans-62.2143.9-176.800000109.7S3 D7 V8 A9S3-A5 PolarHBondContact O-N 2.79Å; S3-A5 VanDerWaalsContact O-N 3.11Å; A5-D7 PolarHBondContact O-N 3.34Å; A5-V8 PolarHBondContact O-N 3.34Å; A5-A9 WeakPolarHBondContact O-CB 3.28Å; A5-A9 PolarHBondContact O-N 2.98Å; A5-A9 VanDerWaalsContact O-N 3.12Å
6P36.2Very low54.8Low14 Ų1449.6 Ų49.69%0.09128%0.276CS..Hα-helixtrans-54.1-29.8-169.717-29.8000113.6A9 Y10 Y554P6-A9 CarbonylContact O-C 3.51Å; P6-A9 WeakPolarHBondContact O-CB 3.5Å; P6-A9 PolarHBondContact O-N 3.42Å; P6-Y10 HydrophobicContact CB-CD2 4.5Å; P6-Y10 HydrophobicContact CB-CE2 4.07Å; P6-Y10 WeakPolarHBondContact O-CD2 3.17Å; P6-Y10 PolarHBondContact O-N 2.96Å; P6-Y554 HydrophobicContact CB-CD1 4Å
7D50.6Low56.6Low14 Ų1449.9 Ų49.98%0.07528%0.277CS..Hα-helixtrans-85.5-37.3-171.9-59.1-10.3000115.1A5 A9 Y10 S11 L187 R559 I589A5-D7 PolarHBondContact O-N 3.34Å; D7-A9 PolarHBondContact O-N 2.64Å; D7-Y10 PolarHBondContact O-N 3.33Å; D7-S11 PolarHBondContact O-N 3.37Å; D7-L187 HydrophobicContact CB-CD2 4.41Å; D7-R559 IonicContact OD1-CZ 3.4Å; D7-R559 IonicContact OD1-NH1 2.64Å; D7-R559 PolarHBondContact OD1-NH1 2.78Å; D7-R559 IonicContact OD1-NH2 2.77Å; D7-R559 PolarHBondContact OD1-NH2 3.46Å; D7-R559 VanDerWaalsContact OD1-NH2 3.11Å; D7-R559 IonicContact OD2-CZ 2.93Å; D7-R559 IonicContact OD2-NH1 3.21Å; D7-R559 PolarHBondContact OD2-NH1 2.99Å; D7-R559 IonicContact OD2-NH2 2.67Å; D7-I589 WeakPolarHBondContact OD2-CD1 3.27Å
8V54.4Low58.1Low19 Ų1951.1 Ų51.112%0.11528%0.283CS..Hα-helixtrans-63.6-39.1165.3176.80000109.1A5 Y10 S11 Q12 C48 P143A5-V8 PolarHBondContact O-N 3.34Å; V8-Y10 VanDerWaalsContact C-N 3.34Å; V8-Y10 PolarHBondContact O-N 3.34Å; V8-S11 PolarHBondContact O-N 3.38Å; V8-Q12 VanDerWaalsContact O-CB 3.31Å; V8-Q12 WeakPolarHBondContact O-CB 3.4Å; V8-Q12 PolarHBondContact O-N 3.2Å; V8-C48 HydrophobicContact CG1-CB 4.08Å; V8-P143 HydrophobicContact CG2-CB 4.44Å
9A58.4Low59.7Low4 Ų448.4 Ų48.43%0.03327%0.268CS..Hα-helixtrans-63.7-35.9175.200000112.2A5 P6 D7 T13 I552A5-A9 WeakPolarHBondContact O-CB 3.28Å; A5-A9 PolarHBondContact O-N 2.98Å; A5-A9 VanDerWaalsContact O-N 3.12Å; P6-A9 CarbonylContact O-C 3.51Å; P6-A9 WeakPolarHBondContact O-CB 3.5Å; P6-A9 PolarHBondContact O-N 3.42Å; D7-A9 PolarHBondContact O-N 2.64Å; A9-T13 WeakPolarHBondContact O-CA 3.36Å; A9-T13 WeakPolarHBondContact O-CB 3.44Å; A9-T13 PolarHBondContact O-N 3.38Å; A9-T13 PolarHBondContact O-OG1 3.49Å; A9-I552 HydrophobicContact CB-CD1 4.42Å
10Y67.2Low61.2Low70 Ų7046.2 Ų46.228%0.27526%0.256SS..Hα-helixtrans-62.8-50176.1-80.9-64.9000111.5P6 D7 V8 T13 R14 L187 Y554P6-Y10 HydrophobicContact CB-CD2 4.5Å; P6-Y10 HydrophobicContact CB-CE2 4.07Å; P6-Y10 WeakPolarHBondContact O-CD2 3.17Å; P6-Y10 PolarHBondContact O-N 2.96Å; D7-Y10 PolarHBondContact O-N 3.33Å; V8-Y10 VanDerWaalsContact C-N 3.34Å; V8-Y10 PolarHBondContact O-N 3.34Å; Y10-T13 PolarHBondContact O-N 2.69Å; Y10-R14 WeakPolarHBondContact O-CG 3.38Å; Y10-R14 PolarHBondContact O-N 3.39Å; Y10-L187 HydrophobicContact CD2-CD2 4.42Å; Y10-Y554 HydrophobicContact CE1-CD1 4.29Å; Y10-Y554 AromaticContact CE1-CE1 3.96Å; Y10-Y554 HydrophobicContact CE1-CE1 3.96Å; Y10-Y554 AromaticContact CE2-CD1 3.94Å; Y10-Y554 HydrophobicContact CE2-CD1 3.94Å; Y10-Y554 HydrophobicContact CE2-CE1 4.21Å; Y10-Y554 AromaticContact CZ-CD1 3.51Å; Y10-Y554 AromaticContact CZ-CE1 3.63Å; Y10-Y554 WeakPolarHBondContact OH-CD1 3.32Å
11S65.9Low62.5Low2 Ų249.7 Ų49.71%0.01427%0.265CS..Hα-helixtrans-65.1-44.5179.7-58.90000111.8D7 V8 T13 R14 I15D7-S11 PolarHBondContact O-N 3.37Å; V8-S11 PolarHBondContact O-N 3.38Å; S11-T13 VanDerWaalsContact C-N 3.34Å; S11-T13 PolarHBondContact O-N 3.12Å; S11-R14 PolarHBondContact O-N 3.32Å; S11-I15 WeakPolarHBondContact O-CG1 3.48Å; S11-I15 PolarHBondContact O-N 3.21Å
12Q73Confident65.5Low55 Ų5541.8 Ų41.826%0.25723%0.232SC..Hα-helixtrans-57.6-47.9173.7-175.9179.916.400111.1V8 R14 I15 V16 C48V8-Q12 VanDerWaalsContact O-CB 3.31Å; V8-Q12 WeakPolarHBondContact O-CB 3.4Å; V8-Q12 PolarHBondContact O-N 3.2Å; Q12-R14 VanDerWaalsContact C-N 3.32Å; Q12-R14 PolarHBondContact O-N 3.42Å; Q12-I15 PolarHBondContact O-N 3.23Å; Q12-V16 HydrophobicContact CG-CG2 4.28Å; Q12-V16 WeakPolarHBondContact O-CB 3.37Å; Q12-V16 WeakPolarHBondContact O-CG2 3.43Å; Q12-V16 PolarHBondContact O-N 3.46Å; Q12-C48 HydrophobicContact CB-CB 4.01Å; Q12-C48 WeakPolarHBondContact CB-O 3.47Å; Q12-C48 WeakPolarHBondContact CG-O 3.27Å; Q12-C48 PolarHBondContact OE1-O 3.19Å
13T72.3Confident68.3Low57 Ų5739.1 Ų39.135%0.3522%0.215SC..Hα-helixtrans-59.6-44.9-179-65.60000110.2A9 Y10 S11 N17A9-T13 WeakPolarHBondContact O-CA 3.36Å; A9-T13 WeakPolarHBondContact O-CB 3.44Å; A9-T13 PolarHBondContact O-N 3.38Å; A9-T13 PolarHBondContact O-OG1 3.49Å; Y10-T13 PolarHBondContact O-N 2.69Å; S11-T13 VanDerWaalsContact C-N 3.34Å; S11-T13 PolarHBondContact O-N 3.12Å; T13-N17 WeakPolarHBondContact CG2-ND2 3.41Å; T13-N17 WeakPolarHBondContact O-CA 3.3Å; T13-N17 WeakPolarHBondContact O-CB 3.35Å; T13-N17 PolarHBondContact O-N 2.98Å; T13-N17 PolarHBondContact O-ND2 2.99Å; T13-N17 VanDerWaalsContact O-ND2 3.12Å
14R81.3Confident71Confident62 Ų6240 Ų4023%0.23421%0.209CC..Hα-helixtrans-70.1-46.3179.4-68.1-171.872.5-152.3-2.7112.6Y10 S11 Q12 V16 N17 D18 I137 N138 I139 T186Y10-R14 WeakPolarHBondContact O-CG 3.38Å; Y10-R14 PolarHBondContact O-N 3.39Å; S11-R14 PolarHBondContact O-N 3.32Å; Q12-R14 VanDerWaalsContact C-N 3.32Å; Q12-R14 PolarHBondContact O-N 3.42Å; R14-V16 PolarHBondContact O-N 3Å; R14-N17 PolarHBondContact O-N 3.12Å; R14-D18 IonicContact NE-OD2 2.88Å; R14-D18 WeakPolarHBondContact O-CA 3.43Å; R14-D18 WeakPolarHBondContact O-CB 3.36Å; R14-D18 PolarHBondContact O-N 2.98Å; R14-I137 VanDerWaalsContact CZ-O 3.29Å; R14-I137 PolarHBondContact NH1-O 3Å; R14-I137 PolarHBondContact NH2-O 2.97Å; R14-N138 PolarHBondContact NH1-O 3.29Å; R14-I139 HydrophobicContact CB-CD1 3.67Å; R14-I139 HydrophobicContact CG-CD1 4.5Å; R14-T186 PolarHBondContact NH1-OG1 2.92Å; R14-T186 VanDerWaalsContact NH1-OG1 3.12Å
15I83.9Confident73.4Confident1 Ų141.6 Ų41.61%0.00521%0.205CC..Iπ-helixtrans-62.6-47.9178.6-66.6173.6000110.6S11 Q12 V19 I20 M44 I45 L80 I139S11-I15 WeakPolarHBondContact O-CG1 3.48Å; S11-I15 PolarHBondContact O-N 3.21Å; Q12-I15 PolarHBondContact O-N 3.23Å; I15-V19 WeakPolarHBondContact O-CB 3.17Å; I15-V19 PolarHBondContact O-N 3.19Å; I15-I20 HydrophobicContact CG2-CD1 4.27Å; I15-I20 PolarHBondContact O-N 3.41Å; I15-M44 HydrophobicContact CD1-CB 4.47Å; I15-M44 HydrophobicContact CD1-CE 4.04Å; I15-I45 HydrophobicContact CG2-CG1 4.41Å; I15-L80 HydrophobicContact CG2-CD2 4.44Å; I15-I139 HydrophobicContact CG1-CD1 4.26Å
16V83.6Confident74.9Confident13 Ų1347.1 Ų47.18%0.07924%0.239CC..Iπ-helixtrans-68.1-44.6-179.8176.70000111.2Q12 R14 I20 R21 E57Q12-V16 HydrophobicContact CG-CG2 4.28Å; Q12-V16 WeakPolarHBondContact O-CB 3.37Å; Q12-V16 WeakPolarHBondContact O-CG2 3.43Å; Q12-V16 PolarHBondContact O-N 3.46Å; R14-V16 PolarHBondContact O-N 3Å; V16-I20 PolarHBondContact O-N 3.47Å; V16-R21 WeakPolarHBondContact O-CB 3.27Å; V16-R21 PolarHBondContact O-N 3.22Å; V16-E57 HydrophobicContact CG1-CG 4.24Å
17N84.8Confident76.1Confident54 Ų5449 Ų4929%0.28926%0.261SS..Iπ-helixtrans-84.5-30.4-173.2-62.6-28.7000114.6T13 R14 R21 P22T13-N17 WeakPolarHBondContact CG2-ND2 3.41Å; T13-N17 WeakPolarHBondContact O-CA 3.3Å; T13-N17 WeakPolarHBondContact O-CB 3.35Å; T13-N17 PolarHBondContact O-N 2.98Å; T13-N17 PolarHBondContact O-ND2 2.99Å; T13-N17 VanDerWaalsContact O-ND2 3.12Å; R14-N17 PolarHBondContact O-N 3.12Å; N17-R21 PolarHBondContact OD1-NH1 3.21Å; N17-P22 WeakPolarHBondContact O-CD 3.24Å; N17-P22 WeakPolarHBondContact O-CG 3.39Å
18D84.8Confident76.7Confident71 Ų7150.9 Ų50.938%0.3828%0.284SS..Iπ-helixtrans-97.7-26.3-174.3-54-20.9000111.7R14R14-D18 IonicContact NE-OD2 2.88Å; R14-D18 WeakPolarHBondContact O-CA 3.43Å; R14-D18 WeakPolarHBondContact O-CB 3.36Å; R14-D18 PolarHBondContact O-N 2.98Å
19V88.9Confident76.8Confident1 Ų153.6 Ų53.61%0.00631%0.308CS..Iπ-helixtrans-106.2-60-177.7-175.10000112I15 I78 F109 I137I15-V19 WeakPolarHBondContact O-CB 3.17Å; I15-V19 PolarHBondContact O-N 3.19Å; V19-I78 HydrophobicContact CG1-CG2 3.78Å; V19-F109 HydrophobicContact CB-CD1 4.32Å; V19-F109 HydrophobicContact CB-CE1 4.35Å; V19-F109 HydrophobicContact CB-CG 4.46Å; V19-F109 HydrophobicContact CG1-CB 4.34Å; V19-F109 HydrophobicContact CG1-CD1 4.1Å; V19-F109 HydrophobicContact CG1-CD2 3.66Å; V19-F109 HydrophobicContact CG1-CE1 4.26Å; V19-F109 HydrophobicContact CG1-CE2 3.84Å; V19-F109 HydrophobicContact CG1-CG 3.78Å; V19-F109 HydrophobicContact CG1-CZ 4.13Å; V19-F109 HydrophobicContact CG2-CB 4.47Å; V19-F109 HydrophobicContact CG2-CD1 3.87Å; V19-F109 HydrophobicContact CG2-CE1 4.26Å; V19-F109 HydrophobicContact CG2-CG 4.16Å; V19-I137 HydrophobicContact CG2-CG2 3.58Å
20I88.4Confident76.8Confident3 Ų362.1 Ų62.12%0.01535%0.347CS..Iπ-helixtrans-83.2-57.5-166-56.4172.4000111.5I15 V16 P22 L23 K24 I54 E57 V59I15-I20 HydrophobicContact CG2-CD1 4.27Å; I15-I20 PolarHBondContact O-N 3.41Å; V16-I20 PolarHBondContact O-N 3.47Å; I20-P22 VanDerWaalsContact C-CD 3.45Å; I20-L23 PolarHBondContact O-N 3.05Å; I20-K24 PolarHBondContact O-N 3.33Å; I20-I54 HydrophobicContact CD1-CB 4.47Å; I20-I54 HydrophobicContact CD1-CG1 4.36Å; I20-I54 HydrophobicContact CD1-CG2 3.85Å; I20-E57 HydrophobicContact CG2-CB 3.6Å; I20-V59 HydrophobicContact CG2-CG2 3.95Å
21R88.5Confident77.2Confident121 Ų12159 Ų5946%0.45734%0.337SS..G310 helixtrans-57.6-39.4-175-175.1177.3-70.6165.13.6113.8V16 N17 L23 K24 E57V16-R21 WeakPolarHBondContact O-CB 3.27Å; V16-R21 PolarHBondContact O-N 3.22Å; N17-R21 PolarHBondContact OD1-NH1 3.21Å; R21-L23 PolarHBondContact O-N 3.12Å; R21-K24 WeakPolarHBondContact O-CB 3.29Å; R21-K24 PolarHBondContact O-N 3.05Å; R21-E57 IonicContact CZ-OE1 2.69Å; R21-E57 IonicContact NE-OE1 3.43Å; R21-E57 PolarHBondContact NE-OE1 3.01Å; R21-E57 IonicContact NH2-OE1 3.04Å; R21-E57 PolarHBondContact NH2-OE1 2.78Å
22P87.7Confident78.4Confident80 Ų8063.7 Ų63.752%0.51935%0.354SS..G310 helixtrans-64.2-20.5178.4-24.737.5000113.9N17 I20N17-P22 WeakPolarHBondContact O-CD 3.24Å; N17-P22 WeakPolarHBondContact O-CG 3.39Å; I20-P22 VanDerWaalsContact C-CD 3.45Å
23L88.6Confident79.4Confident25 Ų2561.3 Ų61.313%0.13134%0.344CS..G310 helixtrans-96.9-5-179.1-61.7-177000113.4I20 R21 K25 I78 H107 F109I20-L23 PolarHBondContact O-N 3.05Å; R21-L23 PolarHBondContact O-N 3.12Å; L23-K25 PolarHBondContact O-N 3.27Å; L23-I78 HydrophobicContact CB-CD1 4.15Å; L23-I78 HydrophobicContact CD1-CD1 3.75Å; L23-I78 HydrophobicContact CD1-CG1 3.67Å; L23-I78 HydrophobicContact CD1-CG2 4.31Å; L23-H107 HydrophobicContact CD1-CB 3.53Å; L23-H107 WeakPolarHBondContact CD2-ND1 3.05Å; L23-F109 HydrophobicContact CD1-CE2 3.62Å; L23-F109 HydrophobicContact CD1-CZ 3.86Å; L23-F109 HydrophobicContact CG-CZ 4.46Å
24K85Confident80.5Confident98 Ų9858.6 Ų58.643%0.42633%0.327SS..  trans-66.2114.5176.4-174.2175.3-172.4167.50110.6I20 R21 N56 E57I20-K24 PolarHBondContact O-N 3.33Å; R21-K24 WeakPolarHBondContact O-CB 3.29Å; R21-K24 PolarHBondContact O-N 3.05Å; K24-N56 PolarHBondContact NZ-O 3.24Å; K24-E57 WeakPolarHBondContact CD-OE2 3.44Å; K24-E57 IonicContact NZ-OE2 3.39Å; K24-E57 PolarHBondContact NZ-OE2 3.31Å
25K79.7Confident81.2Confident90 Ų9055.7 Ų55.739%0.39132%0.316SS..  trans-88136.7177.1-64.6177.9-173165.70111.2L23 G27 E76L23-K25 PolarHBondContact O-N 3.27Å; K25-G27 PolarHBondContact O-N 2.94Å; K25-E76 IonicContact NZ-OE1 2.84Å; K25-E76 PolarHBondContact NZ-OE1 2.92Å; K25-E76 IonicContact NZ-OE2 3.18Å; K25-E76 PolarHBondContact NZ-OE2 3.49Å
26P70.5Confident81.9Confident135 Ų13555.7 Ų55.788%0.87732%0.316SS*.SBendtrans-66.3117.2168.825.9-30000109
27G61.6Low82.5Confident53 Ų5355 Ų5555%0.54631%0.312SS..SBendtrans153.413178.500000118.4K25 A29 Q30K25-G27 PolarHBondContact O-N 2.94Å; G27-A29 PolarHBondContact O-N 2.98Å; G27-A29 VanDerWaalsContact O-N 3.09Å; G27-Q30 PolarHBondContact O-N 3.38Å
28G62.5Low82.9Confident55 Ų5552.9 Ų52.957%0.56730%0.301SS*.G310 helixtrans56.7-116.6179.100000111.9Q30 G31G28-Q30 VanDerWaalsContact C-N 3.28Å; G28-Q30 PolarHBondContact O-N 2.67Å; G28-G31 PolarHBondContact O-N 3.36Å
29A56.3Low83.2Confident75 Ų7556 Ų5662%0.6231%0.311SS*.G310 helixtrans-61.7-25.9-173.400000115.8G27 G31 W32G27-A29 PolarHBondContact O-N 2.98Å; G27-A29 VanDerWaalsContact O-N 3.09Å; A29-G31 PolarHBondContact O-N 3.26Å; A29-W32 VanDerWaalsContact CA-CD1 3.48Å; A29-W32 VanDerWaalsContact O-CD1 3.28Å
30Q58.5Low83.1Confident183 Ų18356.6 Ų56.686%0.85531%0.314SS*.G310 helixtrans-81.3-6176.3-72.3-177.8-5.400113.3G27 G28G27-Q30 PolarHBondContact O-N 3.38Å; G28-Q30 VanDerWaalsContact C-N 3.28Å; G28-Q30 PolarHBondContact O-N 2.67Å
31G76.7Confident83.2Confident6 Ų656.5 Ų56.56%0.06231%0.313CS..G310 helixtrans-105.61.8-177.900000115.3G28 A29G28-G31 PolarHBondContact O-N 3.36Å; A29-G31 PolarHBondContact O-N 3.26Å
32W89.7Confident83.4Confident99 Ų9953.5 Ų53.538%0.37531%0.305SS..  trans-65.6142.8179.6-66.7120.6000112A29 G58 T60 L75A29-W32 VanDerWaalsContact CA-CD1 3.48Å; A29-W32 VanDerWaalsContact O-CD1 3.28Å; W32-G58 CarbonylContact C-O 3.31Å; W32-G58 WeakPolarHBondContact CA-O 3.5Å; W32-T60 HydrophobicContact CB-CG2 4.2Å; W32-L75 HydrophobicContact CB-CD1 4.4Å; W32-L75 HydrophobicContact CB-CD2 4.18Å
33T94Very high83.3Confident6 Ų653 Ų534%0.03729%0.293CS..EExtended strand (participates in β ladder)trans-127.8154.9175.855.60000110.7G58 V59 T60 E76 I78T33-G58 PolarHBondContact N-O 3.48Å; T33-G58 PolarHBondContact OG1-O 2.85Å; T33-G58 VanDerWaalsContact OG1-O 3.09Å; T33-V59 WeakPolarHBondContact O-CA 3.47Å; T33-T60 PolarHBondContact O-N 2.85Å; T33-E76 WeakPolarHBondContact CA-O 3.32Å; T33-I78 HydrophobicContact CG2-CD1 4.47Å
34V95.5Very high83.3Confident0 Ų051.9 Ų51.90%029%0.287CS..EExtended strand (participates in β ladder)trans-97.1128.6171.7177.50000108.1V36 I61 E63 I72 L75 E76 A77 I78 Y103V34-V36 HydrophobicContact CG1-CG2 4Å; V34-I61 HydrophobicContact CB-CG2 4.18Å; V34-I61 HydrophobicContact CG1-CG2 3.8Å; V34-I61 HydrophobicContact CG2-CG2 3.83Å; V34-E63 HydrophobicContact CG1-CB 4.37Å; V34-E63 HydrophobicContact CG1-CG 3.94Å; V34-I72 HydrophobicContact CG2-CD1 4.15Å; V34-L75 HydrophobicContact CG2-CB 4.16Å; V34-L75 HydrophobicContact CG2-CD1 3.98Å; V34-E76 PolarHBondContact N-O 3.28Å; V34-A77 HydrophobicContact CB-CB 4.33Å; V34-A77 CarbonylContact O-C 3.58Å; V34-A77 VanDerWaalsContact O-CA 3.24Å; V34-A77 WeakPolarHBondContact O-CA 3.36Å; V34-I78 PolarHBondContact O-N 3.33Å; V34-Y103 HydrophobicContact CB-CD1 4.36Å; V34-Y103 HydrophobicContact CB-CE1 3.97Å; V34-Y103 HydrophobicContact CG1-CE1 3.74Å; V34-Y103 HydrophobicContact CG2-CD1 4.22Å; V34-Y103 HydrophobicContact CG2-CE1 3.97Å
35L96.3Very high83.4Confident1 Ų147.4 Ų47.41%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-95.4110.2173.4178.259.9000109V37 I45 I54 V59 I61 V62 E63 I78 L80L35-V37 HydrophobicContact CD1-CG1 4.02Å; L35-V37 HydrophobicContact CD2-CG1 4.33Å; L35-V37 HydrophobicContact CG-CG1 3.83Å; L35-I45 HydrophobicContact CD2-CD1 3.84Å; L35-I54 HydrophobicContact CD2-CG2 3.88Å; L35-V59 HydrophobicContact CB-CG1 3.55Å; L35-V59 HydrophobicContact CB-CG2 4.23Å; L35-I61 PolarHBondContact N-O 3.07Å; L35-V62 HydrophobicContact CB-CG2 4.27Å; L35-V62 HydrophobicContact CD2-CG1 4.34Å; L35-V62 HydrophobicContact CD2-CG2 4.12Å; L35-V62 HydrophobicContact CG-CG1 4.36Å; L35-V62 CarbonylContact O-C 3.18Å; L35-V62 VanDerWaalsContact O-CA 3.28Å; L35-V62 WeakPolarHBondContact O-CA 3.42Å; L35-E63 PolarHBondContact O-N 3.08Å; L35-I78 CarbonylContact C-O 3.48Å; L35-I78 WeakPolarHBondContact CA-O 3.36Å; L35-I78 HydrophobicContact CD1-CB 4.01Å; L35-I78 HydrophobicContact CD1-CG2 3.89Å; L35-L80 HydrophobicContact CD1-CB 4.33Å
36V97.7Very high83.6Confident0 Ų046.6 Ų46.60%027%0.273CS..EExtended strand (participates in β ladder)trans-99123.3175.9-175.50000108.7V34 E63 L65 A77 I78 Y79 L80 Y103V34-V36 HydrophobicContact CG1-CG2 4Å; V36-E63 WeakPolarHBondContact CA-O 3.49Å; V36-E63 HydrophobicContact CG2-CB 4.47Å; V36-L65 HydrophobicContact CG1-CB 3.96Å; V36-L65 HydrophobicContact CG1-CD1 3.64Å; V36-L65 HydrophobicContact CG1-CG 4.42Å; V36-A77 HydrophobicContact CG2-CB 4.15Å; V36-I78 PolarHBondContact N-O 2.98Å; V36-Y79 HydrophobicContact CB-CD1 3.76Å; V36-Y79 HydrophobicContact CB-CE1 3.93Å; V36-Y79 HydrophobicContact CB-CG 4.22Å; V36-Y79 HydrophobicContact CG1-CD1 3.74Å; V36-Y79 HydrophobicContact CG1-CE1 3.73Å; V36-Y79 HydrophobicContact CG2-CD1 4.42Å; V36-Y79 HydrophobicContact CG2-CE1 4.16Å; V36-Y79 CarbonylContact O-C 3.55Å; V36-Y79 WeakPolarHBondContact O-CA 3.49Å; V36-L80 PolarHBondContact O-N 3.11Å; V36-Y103 HydrophobicContact CG2-CE2 3.7Å; V36-Y103 WeakPolarHBondContact CG2-OH 3.46Å
37V96.4Very high84.2Confident0 Ų041.8 Ų41.80%025%0.245CC..EExtended strand (participates in β ladder)trans-129.9148.1-175.3-67.40000110.6L35 A41 M42 I45 V62 E63 D64 L65 L80L35-V37 HydrophobicContact CD1-CG1 4.02Å; L35-V37 HydrophobicContact CD2-CG1 4.33Å; L35-V37 HydrophobicContact CG-CG1 3.83Å; V37-A41 HydrophobicContact CB-CB 4Å; V37-A41 HydrophobicContact CG1-CB 4.19Å; V37-M42 HydrophobicContact CB-CB 4.48Å; V37-M42 HydrophobicContact CG2-CB 3.89Å; V37-M42 HydrophobicContact CG2-CE 3.53Å; V37-M42 HydrophobicContact CG2-CG 4.46Å; V37-M42 HydrophobicContact CG2-SD 3.9Å; V37-I45 HydrophobicContact CG1-CD1 3.44Å; V37-I45 VanDerWaalsContact CG1-CD1 3.44Å; V37-V62 HydrophobicContact CG2-CG1 3.84Å; V37-E63 PolarHBondContact N-O 3.15Å; V37-D64 WeakPolarHBondContact O-CA 3.27Å; V37-L65 WeakPolarHBondContact O-CB 3.31Å; V37-L65 PolarHBondContact O-N 3.39Å; V37-L80 WeakPolarHBondContact CA-O 3.36Å; V37-L80 HydrophobicContact CG1-CB 4.19Å
38D94.8Very high85.1Confident9 Ų939.7 Ų39.75%0.04822%0.222CC..  trans-88.3-174.716669.512.8000111.2L40 A41 M42 L65 I81 A82 S87D38-L40 PolarHBondContact O-N 3.3Å; D38-L40 PolarHBondContact OD1-N 3.37Å; D38-A41 WeakPolarHBondContact OD1-CB 3.22Å; D38-A41 PolarHBondContact OD1-N 3.21Å; D38-M42 WeakPolarHBondContact O-CB 3.47Å; D38-M42 PolarHBondContact O-N 2.79Å; D38-L65 HydrophobicContact CB-CD2 4.37Å; D38-I81 HydrophobicContact CB-CG2 4.38Å; D38-A82 WeakPolarHBondContact OD2-CB 3.35Å; D38-A82 PolarHBondContact OD2-N 3.16Å; D38-S87 PolarHBondContact OD2-OG 2.78Å
39K90Very high86.1Confident136 Ų13637.4 Ų37.459%0.59120%0.198SC*.Hα-helixtrans-59.7-44.7-177.3-174-177.3174.8-169.70112.3R43K39-R43 WeakPolarHBondContact O-CG 3.48Å; K39-R43 PolarHBondContact O-N 3.4Å
40L86.9Confident87.3Confident14 Ų1437.8 Ų37.87%0.07319%0.185CC..Hα-helixtrans-66.9-51.2-178.5176.362.2000110.2D38 M42 R43 M44 A82 D152D38-L40 PolarHBondContact O-N 3.3Å; D38-L40 PolarHBondContact OD1-N 3.37Å; L40-M42 VanDerWaalsContact C-N 3.31Å; L40-M42 PolarHBondContact O-N 3.31Å; L40-R43 PolarHBondContact O-N 3.23Å; L40-R43 VanDerWaalsContact O-N 3.15Å; L40-M44 HydrophobicContact CD1-CG 4.44Å; L40-M44 HydrophobicContact CD1-SD 4.42Å; L40-M44 HydrophobicContact CG-SD 4.02Å; L40-M44 VanDerWaalsContact O-CG 3.31Å; L40-M44 WeakPolarHBondContact O-CG 2.92Å; L40-M44 PolarHBondContact O-N 2.71Å; L40-A82 HydrophobicContact CD2-CB 4.42Å; L40-D152 HydrophobicContact CD1-CB 4.42Å
41A91.4Very high88.6Confident0 Ų033.5 Ų33.50%017%0.166CC..Hα-helixtrans-62.3-37.8179.900000112.6V37 D38 R43 M44 I45 L80 T111V37-A41 HydrophobicContact CB-CB 4Å; V37-A41 HydrophobicContact CG1-CB 4.19Å; D38-A41 WeakPolarHBondContact OD1-CB 3.22Å; D38-A41 PolarHBondContact OD1-N 3.21Å; A41-R43 PolarHBondContact O-N 3.3Å; A41-M44 PolarHBondContact O-N 3.02Å; A41-I45 WeakPolarHBondContact O-CB 3.3Å; A41-I45 WeakPolarHBondContact O-CD1 3.24Å; A41-I45 VanDerWaalsContact O-CG1 3.31Å; A41-I45 WeakPolarHBondContact O-CG1 2.87Å; A41-I45 PolarHBondContact O-N 2.81Å; A41-L80 HydrophobicContact CB-CB 4.4Å; A41-L80 HydrophobicContact CB-CD2 4.13Å; A41-L80 HydrophobicContact CB-CG 3.83Å; A41-L80 WeakPolarHBondContact CB-O 3.24Å; A41-T111 HydrophobicContact CB-CG2 4.42Å
42M91.3Very high89Confident59 Ų5937.9 Ų37.929%0.29119%0.185SC..Hα-helixtrans-58.1-48.5173.9-178.267.287.800110.7V37 D38 L40 I45 S46 V62V37-M42 HydrophobicContact CB-CB 4.48Å; V37-M42 HydrophobicContact CG2-CB 3.89Å; V37-M42 HydrophobicContact CG2-CE 3.53Å; V37-M42 HydrophobicContact CG2-CG 4.46Å; V37-M42 HydrophobicContact CG2-SD 3.9Å; D38-M42 WeakPolarHBondContact O-CB 3.47Å; D38-M42 PolarHBondContact O-N 2.79Å; L40-M42 VanDerWaalsContact C-N 3.31Å; L40-M42 PolarHBondContact O-N 3.31Å; M42-I45 PolarHBondContact O-N 3.28Å; M42-S46 WeakPolarHBondContact O-CB 3.37Å; M42-S46 PolarHBondContact O-N 3.29Å; M42-S46 PolarHBondContact O-OG 2.86Å; M42-S46 VanDerWaalsContact O-OG 3.05Å; M42-V62 HydrophobicContact CE-CG1 4.01Å; M42-V62 HydrophobicContact SD-CG1 4.26Å
43R86.2Confident88.8Confident70 Ų7035.3 Ų35.326%0.26418%0.178SC..Hα-helixtrans-64.5-41.5178.7-70.4-171.773169.5-0.1112.7K39 L40 A41 I45 S46 A47 T142 D152K39-R43 WeakPolarHBondContact O-CG 3.48Å; K39-R43 PolarHBondContact O-N 3.4Å; L40-R43 PolarHBondContact O-N 3.23Å; L40-R43 VanDerWaalsContact O-N 3.15Å; A41-R43 PolarHBondContact O-N 3.3Å; R43-I45 VanDerWaalsContact C-N 3.34Å; R43-I45 PolarHBondContact O-N 2.95Å; R43-S46 PolarHBondContact O-N 3.46Å; R43-A47 WeakPolarHBondContact O-CB 3.33Å; R43-A47 PolarHBondContact O-N 3.23Å; R43-T142 HydrophobicContact CB-CG2 4.43Å; R43-D152 WeakPolarHBondContact CD-OD2 3.44Å; R43-D152 IonicContact CZ-OD1 3.66Å; R43-D152 IonicContact CZ-OD2 3.67Å; R43-D152 IonicContact NE-OD2 3.71Å; R43-D152 IonicContact NH1-OD1 3.77Å; R43-D152 PolarHBondContact NH1-OD1 2.79Å; R43-D152 IonicContact NH1-OD2 2.73Å; R43-D152 PolarHBondContact NH1-OD2 3.17Å
44M87.6Confident88.5Confident1 Ų135 Ų351%0.00518%0.177CC..Hα-helixtrans-57.4-48.8174.9-69.517246.600111.5I15 L40 A41 A47 C48 T111 I137 I139 F141I15-M44 HydrophobicContact CD1-CB 4.47Å; I15-M44 HydrophobicContact CD1-CE 4.04Å; L40-M44 HydrophobicContact CD1-CG 4.44Å; L40-M44 HydrophobicContact CD1-SD 4.42Å; L40-M44 HydrophobicContact CG-SD 4.02Å; L40-M44 VanDerWaalsContact O-CG 3.31Å; L40-M44 WeakPolarHBondContact O-CG 2.92Å; L40-M44 PolarHBondContact O-N 2.71Å; A41-M44 PolarHBondContact O-N 3.02Å; M44-A47 PolarHBondContact O-N 3.08Å; M44-C48 PolarHBondContact O-N 2.9Å; M44-C48 PolarHBondContact O-SG 3.25Å; M44-T111 HydrophobicContact SD-CG2 4.15Å; M44-I137 HydrophobicContact CE-CD1 4.42Å; M44-I139 HydrophobicContact CE-CB 3.81Å; M44-I139 HydrophobicContact CE-CG2 3.48Å; M44-I139 VanDerWaalsContact CE-CG2 3.48Å; M44-I139 WeakPolarHBondContact CE-O 3.26Å; M44-F141 WeakPolarHBondContact CG-O 3.3Å
45I87.2Confident88.1Confident4 Ų438.8 Ų38.82%0.02120%0.195CC..Hα-helixtrans-63.4-48.1178.4-72.6163.5000110.4I15 L35 V37 A41 M42 R43 A47 C48 C49 I54 L80I15-I45 HydrophobicContact CG2-CG1 4.41Å; L35-I45 HydrophobicContact CD2-CD1 3.84Å; V37-I45 HydrophobicContact CG1-CD1 3.44Å; V37-I45 VanDerWaalsContact CG1-CD1 3.44Å; A41-I45 WeakPolarHBondContact O-CB 3.3Å; A41-I45 WeakPolarHBondContact O-CD1 3.24Å; A41-I45 VanDerWaalsContact O-CG1 3.31Å; A41-I45 WeakPolarHBondContact O-CG1 2.87Å; A41-I45 PolarHBondContact O-N 2.81Å; M42-I45 PolarHBondContact O-N 3.28Å; R43-I45 VanDerWaalsContact C-N 3.34Å; R43-I45 PolarHBondContact O-N 2.95Å; I45-A47 PolarHBondContact O-N 3.28Å; I45-C48 PolarHBondContact O-N 3.25Å; I45-C49 HydrophobicContact CG2-CB 4.19Å; I45-C49 WeakPolarHBondContact O-CA 3.37Å; I45-C49 WeakPolarHBondContact O-CB 3.43Å; I45-C49 PolarHBondContact O-N 2.97Å; I45-I54 HydrophobicContact CG2-CD1 3.25Å; I45-I54 HydrophobicContact CG2-CG1 4.45Å; I45-L80 HydrophobicContact CD1-CD2 3.69Å; I45-L80 HydrophobicContact CG1-CD2 4.04Å
46S85Confident87.7Confident72 Ų7244.1 Ų44.150%0.50322%0.224SC..Hα-helixtrans-59.2-34.1179.6-65.40000112.9M42 R43M42-S46 WeakPolarHBondContact O-CB 3.37Å; M42-S46 PolarHBondContact O-N 3.29Å; M42-S46 PolarHBondContact O-OG 2.86Å; M42-S46 VanDerWaalsContact O-OG 3.05Å; R43-S46 PolarHBondContact O-N 3.46Å
47A82.2Confident87.3Confident35 Ų3545.5 Ų45.529%0.28923%0.23SC..Hα-helixtrans-73.5-34179.900000113.5R43 M44 I45 T142 P143R43-A47 WeakPolarHBondContact O-CB 3.33Å; R43-A47 PolarHBondContact O-N 3.23Å; M44-A47 PolarHBondContact O-N 3.08Å; I45-A47 PolarHBondContact O-N 3.28Å; A47-T142 HydrophobicContact CB-CG2 3.68Å; A47-P143 HydrophobicContact CB-CG 4.19Å
48C81.3Confident86.9Confident8 Ų846 Ų465%0.05424%0.235CC..Hα-helixtrans-115.4-14.7-171.471.30000115.3V8 Q12 M44 I45 P143V8-C48 HydrophobicContact CG1-CB 4.08Å; Q12-C48 HydrophobicContact CB-CB 4.01Å; Q12-C48 WeakPolarHBondContact CB-O 3.47Å; Q12-C48 WeakPolarHBondContact CG-O 3.27Å; Q12-C48 PolarHBondContact OE1-O 3.19Å; M44-C48 PolarHBondContact O-N 2.9Å; M44-C48 PolarHBondContact O-SG 3.25Å; I45-C48 PolarHBondContact O-N 3.25Å; C48-P143 HydrophobicContact CB-CG 4.06Å
49C82.3Confident86.8Confident8 Ų845.6 Ų45.65%0.05423%0.233CC..  trans-127.8134.9-176-63.40000111.3I45 I54I45-C49 HydrophobicContact CG2-CB 4.19Å; I45-C49 WeakPolarHBondContact O-CA 3.37Å; I45-C49 WeakPolarHBondContact O-CB 3.43Å; I45-C49 PolarHBondContact O-N 2.97Å; C49-I54 HydrophobicContact CB-CD1 4.03Å; C49-I54 HydrophobicContact CB-CG1 3.92Å
50K83.3Confident86.9Confident83 Ų8342.1 Ų42.136%0.36122%0.223SC..  trans-80.4149.8167.3-59.5177.3-176.5162.30109.1H52 D53 I54 N288K50-H52 VanDerWaalsContact CB-CE1 3.43Å; K50-H52 WeakPolarHBondContact CB-CE1 3.36Å; K50-H52 WeakPolarHBondContact CD-CE1 3.15Å; K50-H52 PolarHBondContact O-N 3.27Å; K50-H52 VanDerWaalsContact O-N 3.11Å; K50-D53 WeakPolarHBondContact CB-OD2 3.39Å; K50-D53 PolarHBondContact N-OD2 3.29Å; K50-D53 VanDerWaalsContact N-OD2 3.11Å; K50-D53 WeakPolarHBondContact O-CB 3.48Å; K50-D53 PolarHBondContact O-N 3.21Å; K50-I54 PolarHBondContact O-N 3.19Å; K50-N288 WeakPolarHBondContact CE-OD1 3.43Å; K50-N288 PolarHBondContact NZ-OD1 2.69Å
51M84.7Confident87.2Confident92 Ų9244.4 Ų44.445%0.45324%0.235SC..Hα-helixtrans-56-35.6-179.2-166.257.468.700112.8D53 I54 M55 V62M51-D53 VanDerWaalsContact C-N 3.35Å; M51-D53 PolarHBondContact O-N 3.48Å; M51-I54 PolarHBondContact O-N 3.17Å; M51-I54 HydrophobicContact SD-CD1 4.41Å; M51-M55 HydrophobicContact CG-CE 3.73Å; M51-M55 HydrophobicContact CG-SD 4.09Å; M51-M55 WeakPolarHBondContact O-CB 3.47Å; M51-M55 VanDerWaalsContact O-CG 3.29Å; M51-M55 WeakPolarHBondContact O-CG 3.31Å; M51-M55 PolarHBondContact O-N 3.43Å; M51-M55 HydrophobicContact SD-CE 4.22Å; M51-V62 HydrophobicContact CE-CG2 4.14Å; M51-V62 HydrophobicContact SD-CG2 3.66Å
52H85.7Confident87.3Confident99 Ų9945.8 Ų45.846%0.45824%0.243SC..Hα-helixtrans-68.7-30.1175.864.1-97.5000113.6K50 I54 M55 N56K50-H52 VanDerWaalsContact CB-CE1 3.43Å; K50-H52 WeakPolarHBondContact CB-CE1 3.36Å; K50-H52 WeakPolarHBondContact CD-CE1 3.15Å; K50-H52 PolarHBondContact O-N 3.27Å; K50-H52 VanDerWaalsContact O-N 3.11Å; H52-I54 VanDerWaalsContact C-N 3.31Å; H52-M55 PolarHBondContact O-N 3.26Å; H52-N56 VanDerWaalsContact O-CB 3.24Å; H52-N56 WeakPolarHBondContact O-CB 3.38Å; H52-N56 PolarHBondContact O-N 3.02Å; H52-N56 PolarHBondContact O-ND2 3.12Å
53D85.2Confident87.6Confident44 Ų4444.7 Ų44.724%0.23524%0.238CC..Hα-helixtrans-64.8-41.2177.2-61.4-35.6000110.1K50 M51 E57K50-D53 WeakPolarHBondContact CB-OD2 3.39Å; K50-D53 PolarHBondContact N-OD2 3.29Å; K50-D53 VanDerWaalsContact N-OD2 3.11Å; K50-D53 WeakPolarHBondContact O-CB 3.48Å; K50-D53 PolarHBondContact O-N 3.21Å; M51-D53 VanDerWaalsContact C-N 3.35Å; M51-D53 PolarHBondContact O-N 3.48Å; D53-E57 WeakPolarHBondContact O-CG 3.28Å
54I87.6Confident88Confident1 Ų143 Ų431%0.00523%0.234CC..Hα-helixtrans-69.9-45.7177.5-50.7171.1000110.1I20 L35 I45 C49 K50 M51 H52 N56 E57 V59I20-I54 HydrophobicContact CD1-CB 4.47Å; I20-I54 HydrophobicContact CD1-CG1 4.36Å; I20-I54 HydrophobicContact CD1-CG2 3.85Å; L35-I54 HydrophobicContact CD2-CG2 3.88Å; I45-I54 HydrophobicContact CG2-CD1 3.25Å; I45-I54 HydrophobicContact CG2-CG1 4.45Å; C49-I54 HydrophobicContact CB-CD1 4.03Å; C49-I54 HydrophobicContact CB-CG1 3.92Å; K50-I54 PolarHBondContact O-N 3.19Å; M51-I54 PolarHBondContact O-N 3.17Å; M51-I54 HydrophobicContact SD-CD1 4.41Å; H52-I54 VanDerWaalsContact C-N 3.31Å; I54-N56 PolarHBondContact O-N 3Å; I54-E57 PolarHBondContact O-N 2.99Å; I54-E57 VanDerWaalsContact O-N 3.11Å; I54-V59 HydrophobicContact CG2-CB 3.67Å; I54-V59 HydrophobicContact CG2-CG1 3.92Å; I54-V59 HydrophobicContact CG2-CG2 3.69Å
55M88.1Confident88.5Confident79 Ų7943 Ų4339%0.38923%0.234SC..Hα-helixtrans-64.6-39.2-178.8-73.1177.1170.700113M51 H52 E57 G58 V59M51-M55 HydrophobicContact CG-CE 3.73Å; M51-M55 HydrophobicContact CG-SD 4.09Å; M51-M55 WeakPolarHBondContact O-CB 3.47Å; M51-M55 VanDerWaalsContact O-CG 3.29Å; M51-M55 WeakPolarHBondContact O-CG 3.31Å; M51-M55 PolarHBondContact O-N 3.43Å; M51-M55 HydrophobicContact SD-CE 4.22Å; H52-M55 PolarHBondContact O-N 3.26Å; M55-E57 PolarHBondContact O-N 3.39Å; M55-E57 VanDerWaalsContact O-N 3.14Å; M55-G58 PolarHBondContact O-N 2.99Å; M55-G58 VanDerWaalsContact O-N 3.12Å; M55-V59 VanDerWaalsContact CA-O 3.3Å; M55-V59 WeakPolarHBondContact CA-O 3.31Å
56N87.2Confident88.8Confident113 Ų11345.6 Ų45.660%0.60425%0.247SC*.THydrogen-bonded Turntrans-63.9-17.1176.3-72.9-25.1000113.1K24 H52 I54K24-N56 PolarHBondContact NZ-O 3.24Å; H52-N56 VanDerWaalsContact O-CB 3.24Å; H52-N56 WeakPolarHBondContact O-CB 3.38Å; H52-N56 PolarHBondContact O-N 3.02Å; H52-N56 PolarHBondContact O-ND2 3.12Å; I54-N56 PolarHBondContact O-N 3Å
57E88.1Confident89.3Confident29 Ų2948.8 Ų48.814%0.13625%0.252CS..THydrogen-bonded Turntrans-98.712178.3-60.5-71.8-15600113.7V16 I20 R21 K24 D53 I54 M55V16-E57 HydrophobicContact CG1-CG 4.24Å; I20-E57 HydrophobicContact CG2-CB 3.6Å; R21-E57 IonicContact CZ-OE1 2.69Å; R21-E57 IonicContact NE-OE1 3.43Å; R21-E57 PolarHBondContact NE-OE1 3.01Å; R21-E57 IonicContact NH2-OE1 3.04Å; R21-E57 PolarHBondContact NH2-OE1 2.78Å; K24-E57 WeakPolarHBondContact CD-OE2 3.44Å; K24-E57 IonicContact NZ-OE2 3.39Å; K24-E57 PolarHBondContact NZ-OE2 3.31Å; D53-E57 WeakPolarHBondContact O-CG 3.28Å; I54-E57 PolarHBondContact O-N 2.99Å; I54-E57 VanDerWaalsContact O-N 3.11Å; M55-E57 PolarHBondContact O-N 3.39Å; M55-E57 VanDerWaalsContact O-N 3.14Å
58G89.4Confident89.8Confident10 Ų1057.2 Ų57.210%0.10328%0.283CS..THydrogen-bonded Turntrans98.611.2169.600000115.1W32 T33 M55W32-G58 CarbonylContact C-O 3.31Å; W32-G58 WeakPolarHBondContact CA-O 3.5Å; T33-G58 PolarHBondContact N-O 3.48Å; T33-G58 PolarHBondContact OG1-O 2.85Å; T33-G58 VanDerWaalsContact OG1-O 3.09Å; M55-G58 PolarHBondContact O-N 2.99Å; M55-G58 VanDerWaalsContact O-N 3.12Å
59V92.3Very high90.5Very high1 Ų158.1 Ų58.11%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-86.4125.3167.8176.30000109.1I20 T33 L35 I54 M55 I61 V62 I78I20-V59 HydrophobicContact CG2-CG2 3.95Å; T33-V59 WeakPolarHBondContact O-CA 3.47Å; L35-V59 HydrophobicContact CB-CG1 3.55Å; L35-V59 HydrophobicContact CB-CG2 4.23Å; I54-V59 HydrophobicContact CG2-CB 3.67Å; I54-V59 HydrophobicContact CG2-CG1 3.92Å; I54-V59 HydrophobicContact CG2-CG2 3.69Å; M55-V59 VanDerWaalsContact CA-O 3.3Å; M55-V59 WeakPolarHBondContact CA-O 3.31Å; V59-I61 WeakPolarHBondContact CG1-O 3.28Å; V59-V62 HydrophobicContact CG1-CG2 4.21Å; V59-I78 HydrophobicContact CG2-CD1 4.48Å
60T92.1Very high91Very high62 Ų6264.8 Ų64.838%0.3832%0.315SS..EExtended strand (participates in β ladder)trans-93.6-26.7179-170.50000113.3W32 T33 L75W32-T60 HydrophobicContact CB-CG2 4.2Å; T33-T60 PolarHBondContact O-N 2.85Å; T60-L75 HydrophobicContact CG2-CD1 3.8Å
61I93.4Very high91.5Very high62 Ų6263.5 Ų63.532%0.31832%0.315SS..EExtended strand (participates in β ladder)trans-153.6143.2-176.8-168.4170.5000109.5V34 L35 V59 E63V34-I61 HydrophobicContact CB-CG2 4.18Å; V34-I61 HydrophobicContact CG1-CG2 3.8Å; V34-I61 HydrophobicContact CG2-CG2 3.83Å; L35-I61 PolarHBondContact N-O 3.07Å; V59-I61 WeakPolarHBondContact CG1-O 3.28Å; I61-E63 HydrophobicContact CD1-CG 4.39Å; I61-E63 WeakPolarHBondContact CD1-OE1 3.44Å; I61-E63 HydrophobicContact CG1-CG 4.28Å; I61-E63 HydrophobicContact CG2-CG 4.35Å
62V94.2Very high92Very high29 Ų2961 Ų6118%0.17630%0.303CS..EExtended strand (participates in β ladder)trans-108.8126.5172.7-173.90000108L35 V37 M42 M51 V59L35-V62 HydrophobicContact CB-CG2 4.27Å; L35-V62 HydrophobicContact CD2-CG1 4.34Å; L35-V62 HydrophobicContact CD2-CG2 4.12Å; L35-V62 HydrophobicContact CG-CG1 4.36Å; L35-V62 CarbonylContact O-C 3.18Å; L35-V62 VanDerWaalsContact O-CA 3.28Å; L35-V62 WeakPolarHBondContact O-CA 3.42Å; V37-V62 HydrophobicContact CG2-CG1 3.84Å; M42-V62 HydrophobicContact CE-CG1 4.01Å; M42-V62 HydrophobicContact SD-CG1 4.26Å; M51-V62 HydrophobicContact CE-CG2 4.14Å; M51-V62 HydrophobicContact SD-CG2 3.66Å; V59-V62 HydrophobicContact CG1-CG2 4.21Å
63E95.9Very high92.3Very high37 Ų3759.7 Ų59.717%0.17330%0.304CS..EExtended strand (participates in β ladder)trans-123.3140.8-172.5-73.5-76.2-164.500110.5V34 L35 V36 V37 I61 R69V34-E63 HydrophobicContact CG1-CB 4.37Å; V34-E63 HydrophobicContact CG1-CG 3.94Å; L35-E63 PolarHBondContact O-N 3.08Å; V36-E63 WeakPolarHBondContact CA-O 3.49Å; V36-E63 HydrophobicContact CG2-CB 4.47Å; V37-E63 PolarHBondContact N-O 3.15Å; I61-E63 HydrophobicContact CD1-CG 4.39Å; I61-E63 WeakPolarHBondContact CD1-OE1 3.44Å; I61-E63 HydrophobicContact CG1-CG 4.28Å; I61-E63 HydrophobicContact CG2-CG 4.35Å; E63-R69 HydrophobicContact CB-CG 4.14Å; E63-R69 HydrophobicContact CG-CG 4.4Å
64D95.9Very high92.6Very high34 Ų3462.8 Ų62.818%0.18232%0.324CS..EExtended strand (participates in β ladder)trans-86120.3175.5-178.7-9.8000109.7V37 N66 K67 R69V37-D64 WeakPolarHBondContact O-CA 3.27Å; D64-N66 PolarHBondContact O-N 2.98Å; D64-N66 VanDerWaalsContact O-N 3.14Å; D64-N66 WeakPolarHBondContact OD1-CB 3.44Å; D64-N66 PolarHBondContact OD1-N 3.08Å; D64-N66 PolarHBondContact OD1-ND2 3.17Å; D64-N66 VanDerWaalsContact OD1-ND2 3.08Å; D64-K67 HydrophobicContact CB-CB 4.21Å; D64-K67 HydrophobicContact CB-CD 3.98Å; D64-K67 HydrophobicContact CB-CG 4.01Å; D64-K67 PolarHBondContact O-N 2.84Å; D64-K67 VanDerWaalsContact OD2-CE 3.31Å; D64-K67 WeakPolarHBondContact OD2-CE 3.26Å; D64-K67 IonicContact OD2-NZ 2.87Å; D64-R69 WeakPolarHBondContact O-CD 3.23Å; D64-R69 PolarHBondContact O-NE 3.45Å
65L97.2Very high92.9Very high1 Ų164.3 Ų64.31%0.00533%0.332CS..THydrogen-bonded Turntrans-53.6-34.1178.9-173.971.4000112.2V36 V37 D38 K67 R69 Y79 I81 R90V36-L65 HydrophobicContact CG1-CB 3.96Å; V36-L65 HydrophobicContact CG1-CD1 3.64Å; V36-L65 HydrophobicContact CG1-CG 4.42Å; V37-L65 WeakPolarHBondContact O-CB 3.31Å; V37-L65 PolarHBondContact O-N 3.39Å; D38-L65 HydrophobicContact CB-CD2 4.37Å; L65-K67 VanDerWaalsContact C-N 3.31Å; L65-K67 PolarHBondContact O-N 2.69Å; L65-R69 PolarHBondContact O-NH2 3.34Å; L65-Y79 HydrophobicContact CD1-CD1 4.12Å; L65-Y79 HydrophobicContact CD1-CE1 3.91Å; L65-I81 HydrophobicContact CD2-CG2 3.88Å; L65-R90 HydrophobicContact CD1-CB 3.88Å; L65-R90 HydrophobicContact CD2-CB 4.08Å; L65-R90 HydrophobicContact CG-CB 3.78Å; L65-R90 HydrophobicContact CG-CG 4.48Å; L65-R90 WeakPolarHBondContact O-CD 3.45Å
66N94.3Very high93.2Very high58 Ų5861 Ų6131%0.3132%0.316SS..THydrogen-bonded Turntrans-78.3-17.1-175.9-58.8-65.2000113.2D64 D86 R90D64-N66 PolarHBondContact O-N 2.98Å; D64-N66 VanDerWaalsContact O-N 3.14Å; D64-N66 WeakPolarHBondContact OD1-CB 3.44Å; D64-N66 PolarHBondContact OD1-N 3.08Å; D64-N66 PolarHBondContact OD1-ND2 3.17Å; D64-N66 VanDerWaalsContact OD1-ND2 3.08Å; N66-D86 PolarHBondContact OD1-OD2 3.16Å; N66-R90 PolarHBondContact O-NH1 3.21Å; N66-R90 PolarHBondContact OD1-NE 3.15Å
67K94.6Very high93.7Very high139 Ų13955.6 Ų55.660%0.60429%0.287SS*.SBendtrans-93.8155.9179.6-66.3-178.4-173.9171.30110.8D64 L65 R69D64-K67 HydrophobicContact CB-CB 4.21Å; D64-K67 HydrophobicContact CB-CD 3.98Å; D64-K67 HydrophobicContact CB-CG 4.01Å; D64-K67 PolarHBondContact O-N 2.84Å; D64-K67 VanDerWaalsContact OD2-CE 3.31Å; D64-K67 WeakPolarHBondContact OD2-CE 3.26Å; D64-K67 IonicContact OD2-NZ 2.87Å; L65-K67 VanDerWaalsContact C-N 3.31Å; L65-K67 PolarHBondContact O-N 2.69Å; K67-R69 PolarHBondContact O-N 3.14Å; K67-R69 PolarHBondContact O-NE 3.33Å
68K93.1Very high94.1Very high213 Ų21354.3 Ų54.393%0.92628%0.281SS*.  trans-69.4124.4170.6-173.8-179.8-179.6-177.60108.6
69R95.3Very high94.5Very high26 Ų2653.8 Ų53.810%0.09828%0.276CS..  trans-113.6148.2-174-68.4163.8-76.7139.84.8110.8E63 D64 L65 K67 D94 Q102 Y103E63-R69 HydrophobicContact CB-CG 4.14Å; E63-R69 HydrophobicContact CG-CG 4.4Å; D64-R69 WeakPolarHBondContact O-CD 3.23Å; D64-R69 PolarHBondContact O-NE 3.45Å; L65-R69 PolarHBondContact O-NH2 3.34Å; K67-R69 PolarHBondContact O-N 3.14Å; K67-R69 PolarHBondContact O-NE 3.33Å; R69-D94 IonicContact CZ-OD1 3.21Å; R69-D94 IonicContact CZ-OD2 3.11Å; R69-D94 IonicContact NH1-OD1 3.19Å; R69-D94 IonicContact NH1-OD2 2.73Å; R69-D94 PolarHBondContact NH1-OD2 3.43Å; R69-D94 IonicContact NH2-OD1 3.98Å; R69-D94 PolarHBondContact NH2-OD1 3.23Å; R69-D94 IonicContact NH2-OD2 3.59Å; R69-D94 PolarHBondContact NH2-OD2 2.94Å; R69-D94 VanDerWaalsContact NH2-OD2 3.08Å; R69-Q102 VanDerWaalsContact C-NE2 3.26Å; R69-Q102 VanDerWaalsContact CB-NE2 3.29Å; R69-Q102 PolarHBondContact O-NE2 3.25Å; R69-Y103 PolarHBondContact NH1-OH 3.07Å
70E93.4Very high94.7Very high149 Ų14953.8 Ų53.870%0.69628%0.276SS*.  trans-71.9133.1173.4-172176.2177.800110.2I72 Q102E70-I72 PolarHBondContact O-N 3.45Å; E70-Q102 PolarHBondContact O-NE2 3.37Å
71P94.3Very high95Very high56 Ų5650.9 Ų50.936%0.36426%0.258SS..  trans-65.6124.2175.7-21.533.1000111.7P73P71-P73 VanDerWaalsContact C-CD 3.42Å; P71-P73 VanDerWaalsContact O-CD 3.32Å; P71-P73 WeakPolarHBondContact O-CD 3.28Å
72I94Very high94.9Very high39 Ų3948 Ų4820%0.224%0.243CC..BIsolated β-bridgetrans-121.370.2176.2-47.6174.6000108.7V34 E70 T74 L75 Q102 Y103V34-I72 HydrophobicContact CG2-CD1 4.15Å; E70-I72 PolarHBondContact O-N 3.45Å; I72-T74 PolarHBondContact O-N 3.11Å; I72-L75 HydrophobicContact CG2-CB 4.02Å; I72-L75 HydrophobicContact CG2-CD1 3.86Å; I72-L75 HydrophobicContact CG2-CG 3.72Å; I72-L75 PolarHBondContact O-N 3.03Å; I72-L75 VanDerWaalsContact O-N 3.17Å; I72-Q102 CarbonylContact C-O 3.48Å; I72-Q102 PolarHBondContact N-O 3.47Å; I72-Y103 HydrophobicContact CB-CD1 4.42Å
73P92.7Very high94.9Very high72 Ų7247 Ų4747%0.46824%0.238SC..THydrogen-bonded Turntrans-68.7-6.4-17229.5-37.1000114P71 K104P71-P73 VanDerWaalsContact C-CD 3.42Å; P71-P73 VanDerWaalsContact O-CD 3.32Å; P71-P73 WeakPolarHBondContact O-CD 3.28Å; P73-K104 WeakPolarHBondContact O-CA 3.47Å; P73-K104 WeakPolarHBondContact O-CB 3.46Å
74T91.8Very high94.8Very high109 Ų10947.4 Ų47.467%0.66924%0.243SC*.THydrogen-bonded Turntrans-84.1-25.2176.652.30000113.1I72I72-T74 PolarHBondContact O-N 3.11Å
75L93.5Very high94.7Very high33 Ų3351.1 Ų51.117%0.17326%0.259CS..SBendtrans-103.3153.7-177.3-60-173.8000111.9W32 V34 T60 I72 K104W32-L75 HydrophobicContact CB-CD1 4.4Å; W32-L75 HydrophobicContact CB-CD2 4.18Å; V34-L75 HydrophobicContact CG2-CB 4.16Å; V34-L75 HydrophobicContact CG2-CD1 3.98Å; T60-L75 HydrophobicContact CG2-CD1 3.8Å; I72-L75 HydrophobicContact CG2-CB 4.02Å; I72-L75 HydrophobicContact CG2-CD1 3.86Å; I72-L75 HydrophobicContact CG2-CG 3.72Å; I72-L75 PolarHBondContact O-N 3.03Å; I72-L75 VanDerWaalsContact O-N 3.17Å; L75-K104 WeakPolarHBondContact O-CB 3.48Å; L75-K104 PolarHBondContact O-N 3.21Å
76E95Very high94.6Very high9 Ų954.8 Ų54.84%0.04228%0.278CS..EExtended strand (participates in β ladder)trans-88.5148.4169.8-61.4178.8179.100109.4K25 T33 V34 K104 A105 H107 K132K25-E76 IonicContact NZ-OE1 2.84Å; K25-E76 PolarHBondContact NZ-OE1 2.92Å; K25-E76 IonicContact NZ-OE2 3.18Å; K25-E76 PolarHBondContact NZ-OE2 3.49Å; T33-E76 WeakPolarHBondContact CA-O 3.32Å; V34-E76 PolarHBondContact N-O 3.28Å; E76-K104 HydrophobicContact CG-CB 4.16Å; E76-K104 HydrophobicContact CG-CD 4.2Å; E76-K104 HydrophobicContact CG-CG 4.45Å; E76-A105 HydrophobicContact CG-CB 4.01Å; E76-H107 IonicContact OE2-NE2 2.78Å; E76-H107 PolarHBondContact OE2-NE2 3.42Å; E76-K132 IonicContact OE1-NZ 3.34Å; E76-K132 PolarHBondContact OE1-NZ 2.85Å; E76-K132 IonicContact OE2-NZ 3.26Å
77A96.9Very high94.7Very high0 Ų052.2 Ų52.20%027%0.265CS..EExtended strand (participates in β ladder)trans-111.5136.5179.800000111.7V34 V36 Y79 Y103 A105 A106 H107V34-A77 HydrophobicContact CB-CB 4.33Å; V34-A77 CarbonylContact O-C 3.58Å; V34-A77 VanDerWaalsContact O-CA 3.24Å; V34-A77 WeakPolarHBondContact O-CA 3.36Å; V36-A77 HydrophobicContact CG2-CB 4.15Å; A77-Y79 HydrophobicContact CB-CD2 4.13Å; A77-Y79 HydrophobicContact CB-CE2 3.62Å; A77-Y103 HydrophobicContact CB-CD1 3.95Å; A77-Y103 HydrophobicContact CB-CD2 3.38Å; A77-Y103 HydrophobicContact CB-CE1 4.33Å; A77-Y103 HydrophobicContact CB-CE2 3.8Å; A77-Y103 HydrophobicContact CB-CG 3.46Å; A77-Y103 VanDerWaalsContact CB-CG 3.46Å; A77-A105 PolarHBondContact N-O 3.5Å; A77-A106 CarbonylContact O-C 3.47Å; A77-A106 WeakPolarHBondContact O-CA 3.24Å; A77-H107 PolarHBondContact O-N 3.21Å
78I97.2Very high94.8Very high1 Ų145.6 Ų45.61%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-95.1113.5168.2-54.6177.7000106.3V19 L23 T33 V34 L35 V36 V59 H107 F109V19-I78 HydrophobicContact CG1-CG2 3.78Å; L23-I78 HydrophobicContact CB-CD1 4.15Å; L23-I78 HydrophobicContact CD1-CD1 3.75Å; L23-I78 HydrophobicContact CD1-CG1 3.67Å; L23-I78 HydrophobicContact CD1-CG2 4.31Å; T33-I78 HydrophobicContact CG2-CD1 4.47Å; V34-I78 PolarHBondContact O-N 3.33Å; L35-I78 CarbonylContact C-O 3.48Å; L35-I78 WeakPolarHBondContact CA-O 3.36Å; L35-I78 HydrophobicContact CD1-CB 4.01Å; L35-I78 HydrophobicContact CD1-CG2 3.89Å; V36-I78 PolarHBondContact N-O 2.98Å; V59-I78 HydrophobicContact CG2-CD1 4.48Å; I78-H107 CarbonylContact C-O 3.58Å; I78-H107 WeakPolarHBondContact CA-O 3.23Å; I78-F109 HydrophobicContact CG2-CD2 3.95Å; I78-F109 HydrophobicContact CG2-CE2 3.97Å
79Y98.1Very high95Very high0 Ų036.8 Ų36.80%021%0.206CC..EExtended strand (participates in β ladder)trans-94.8111.7173.1-70.5-100.6000108.2V36 L65 A77 L91 D94 F95 Y103 A106 H107 V108 F109V36-Y79 HydrophobicContact CB-CD1 3.76Å; V36-Y79 HydrophobicContact CB-CE1 3.93Å; V36-Y79 HydrophobicContact CB-CG 4.22Å; V36-Y79 HydrophobicContact CG1-CD1 3.74Å; V36-Y79 HydrophobicContact CG1-CE1 3.73Å; V36-Y79 HydrophobicContact CG2-CD1 4.42Å; V36-Y79 HydrophobicContact CG2-CE1 4.16Å; V36-Y79 CarbonylContact O-C 3.55Å; V36-Y79 WeakPolarHBondContact O-CA 3.49Å; L65-Y79 HydrophobicContact CD1-CD1 4.12Å; L65-Y79 HydrophobicContact CD1-CE1 3.91Å; A77-Y79 HydrophobicContact CB-CD2 4.13Å; A77-Y79 HydrophobicContact CB-CE2 3.62Å; Y79-L91 HydrophobicContact CD1-CD1 3.78Å; Y79-L91 HydrophobicContact CD2-CD1 3.91Å; Y79-L91 HydrophobicContact CE1-CD1 3.61Å; Y79-L91 HydrophobicContact CE2-CD1 3.75Å; Y79-L91 HydrophobicContact CG-CD1 3.91Å; Y79-D94 WeakPolarHBondContact CE1-OD2 2.98Å; Y79-D94 WeakPolarHBondContact OH-CB 3.32Å; Y79-D94 PolarHBondContact OH-OD2 3.4Å; Y79-F95 HydrophobicContact CE2-CE2 4.01Å; Y79-F95 HydrophobicContact CE2-CZ 4.23Å; Y79-F95 AromaticContact CZ-CE2 3.99Å; Y79-F95 WeakPolarHBondContact OH-CE2 3.46Å; Y79-Y103 HydrophobicContact CE2-CD2 4.25Å; Y79-Y103 AromaticContact CZ-CD2 3.98Å; Y79-Y103 AromaticContact CZ-CE2 3.93Å; Y79-Y103 WeakPolarHBondContact OH-CD2 3.22Å; Y79-Y103 VanDerWaalsContact OH-CE2 3.24Å; Y79-Y103 WeakPolarHBondContact OH-CE2 3.45Å; Y79-A106 HydrophobicContact CD2-CB 3.85Å; Y79-A106 HydrophobicContact CE2-CB 3.69Å; Y79-H107 PolarHBondContact N-O 3.12Å; Y79-V108 HydrophobicContact CD2-CG2 4.47Å; Y79-F109 PolarHBondContact O-N 3.33Å
80L96.7Very high95.1Very high1 Ų139.6 Ų39.61%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-107.5101.6167.2177.966000107.7I15 L35 V36 V37 A41 I45 F109 T111 I137I15-L80 HydrophobicContact CG2-CD2 4.44Å; L35-L80 HydrophobicContact CD1-CB 4.33Å; V36-L80 PolarHBondContact O-N 3.11Å; V37-L80 WeakPolarHBondContact CA-O 3.36Å; V37-L80 HydrophobicContact CG1-CB 4.19Å; A41-L80 HydrophobicContact CB-CB 4.4Å; A41-L80 HydrophobicContact CB-CD2 4.13Å; A41-L80 HydrophobicContact CB-CG 3.83Å; A41-L80 WeakPolarHBondContact CB-O 3.24Å; I45-L80 HydrophobicContact CD1-CD2 3.69Å; I45-L80 HydrophobicContact CG1-CD2 4.04Å; L80-F109 WeakPolarHBondContact CA-O 3.31Å; L80-F109 HydrophobicContact CD1-CB 3.94Å; L80-T111 HydrophobicContact CD1-CG2 4.35Å; L80-I137 HydrophobicContact CD1-CD1 3.55Å; L80-I137 HydrophobicContact CD1-CG1 4.2Å
81I96.7Very high95.3Very high0 Ų032.5 Ų32.50%018%0.184CC..EExtended strand (participates in β ladder)trans-143.5151.5-166.561176.5000110.9D38 L65 L91 F109 F110 T111D38-I81 HydrophobicContact CB-CG2 4.38Å; L65-I81 HydrophobicContact CD2-CG2 3.88Å; I81-L91 HydrophobicContact CD1-CB 4.39Å; I81-L91 HydrophobicContact CD1-CD2 4.24Å; I81-F109 PolarHBondContact N-O 3.08Å; I81-F109 VanDerWaalsContact N-O 3.08Å; I81-F110 HydrophobicContact CD1-CE1 4.07Å; I81-F110 HydrophobicContact CG1-CD1 4Å; I81-F110 HydrophobicContact CG1-CE1 4.06Å; I81-F110 CarbonylContact O-C 3.6Å; I81-F110 VanDerWaalsContact O-CA 3.24Å; I81-F110 WeakPolarHBondContact O-CA 3.23Å; I81-T111 PolarHBondContact O-N 2.98Å
82A93.3Very high95.4Very high2 Ų231 Ų312%0.01717%0.172CC..  trans-71.7142.5166.900000110.4D38 L40 T84 S87 T111D38-A82 WeakPolarHBondContact OD2-CB 3.35Å; D38-A82 PolarHBondContact OD2-N 3.16Å; L40-A82 HydrophobicContact CD2-CB 4.42Å; A82-T84 HydrophobicContact CB-CG2 3.97Å; A82-T84 PolarHBondContact O-N 3.41Å; A82-S87 WeakPolarHBondContact O-CB 3.44Å; A82-S87 PolarHBondContact O-OG 3.25Å; A82-T111 VanDerWaalsContact CA-OG1 3.23Å; A82-T111 WeakPolarHBondContact CA-OG1 3.44Å; A82-T111 WeakPolarHBondContact CB-OG1 3.5Å
83P94Very high95.5Very high8 Ų832.4 Ų32.45%0.05219%0.186CC..  trans-77.860.4179.934.3-35.5000111.3I88 F110 E112 A113 C114 L118P83-I88 HydrophobicContact CB-CD1 4.22Å; P83-F110 HydrophobicContact CB-CB 4.35Å; P83-F110 HydrophobicContact CB-CD1 3.7Å; P83-F110 HydrophobicContact CB-CE1 4.04Å; P83-F110 HydrophobicContact CB-CG 3.97Å; P83-F110 HydrophobicContact CG-CB 4.43Å; P83-E112 VanDerWaalsContact CD-CG 3.49Å; P83-E112 HydrophobicContact CG-CG 3.68Å; P83-A113 WeakPolarHBondContact CG-O 3.1Å; P83-C114 HydrophobicContact CB-CB 3.8Å; P83-C114 HydrophobicContact CG-CB 4.45Å; P83-L118 WeakPolarHBondContact O-CD1 3.4Å
84T92.7Very high95.7Very high46 Ų4629.7 Ų29.728%0.28217%0.167SC..  trans-95.9159.9176.172.70000110.8A82 D86 S87 I88A82-T84 HydrophobicContact CB-CG2 3.97Å; A82-T84 PolarHBondContact O-N 3.41Å; T84-D86 VanDerWaalsContact C-N 3.26Å; T84-D86 PolarHBondContact O-N 3.38Å; T84-S87 PolarHBondContact O-N 3.29Å; T84-S87 WeakPolarHBondContact OG1-CB 3.36Å; T84-S87 PolarHBondContact OG1-N 3.34Å; T84-S87 VanDerWaalsContact OG1-N 3.1Å; T84-S87 PolarHBondContact OG1-OG 2.92Å; T84-S87 VanDerWaalsContact OG1-OG 3.09Å; T84-I88 WeakPolarHBondContact O-CB 3.41Å; T84-I88 PolarHBondContact O-N 2.82Å
85Q93.9Very high95.9Very high112 Ų11224.7 Ų24.752%0.52314%0.136SC..Hα-helixtrans-55.3-42.6175-173.573.953.200111.7G89 L118 E121Q85-G89 PolarHBondContact O-N 2.8Å; Q85-L118 HydrophobicContact CB-CD2 4.32Å; Q85-E121 PolarHBondContact NE2-OE2 3.02Å
86D94.8Very high95.7Very high77 Ų7729.5 Ų29.541%0.41216%0.158SC..Hα-helixtrans-68.2-47.5-179.5-176.772.5000111.3N66 T84 I88 G89 R90N66-D86 PolarHBondContact OD1-OD2 3.16Å; T84-D86 VanDerWaalsContact C-N 3.26Å; T84-D86 PolarHBondContact O-N 3.38Å; D86-I88 PolarHBondContact O-N 3.43Å; D86-G89 PolarHBondContact O-N 3.5Å; D86-R90 VanDerWaalsContact CG-NE 3.27Å; D86-R90 WeakPolarHBondContact O-CB 3.31Å; D86-R90 VanDerWaalsContact O-CG 3.28Å; D86-R90 WeakPolarHBondContact O-CG 2.99Å; D86-R90 PolarHBondContact O-N 3.27Å; D86-R90 IonicContact OD1-CZ 3.37Å; D86-R90 IonicContact OD1-NE 2.89Å; D86-R90 PolarHBondContact OD1-NE 3.49Å; D86-R90 VanDerWaalsContact OD1-NE 3.13Å; D86-R90 IonicContact OD1-NH2 2.8Å; D86-R90 PolarHBondContact OD1-NH2 3.43Å; D86-R90 IonicContact OD2-CZ 2.89Å; D86-R90 IonicContact OD2-NE 2.78Å; D86-R90 PolarHBondContact OD2-NE 3.46Å; D86-R90 IonicContact OD2-NH2 3.61Å; D86-R90 PolarHBondContact OD2-NH2 3.24Å
87S96.5Very high95.3Very high4 Ų433.1 Ų33.13%0.02818%0.177CC..Hα-helixtrans-62.3-44.8179.2-630000112.3D38 A82 T84 R90 L91D38-S87 PolarHBondContact OD2-OG 2.78Å; A82-S87 WeakPolarHBondContact O-CB 3.44Å; A82-S87 PolarHBondContact O-OG 3.25Å; T84-S87 PolarHBondContact O-N 3.29Å; T84-S87 WeakPolarHBondContact OG1-CB 3.36Å; T84-S87 PolarHBondContact OG1-N 3.34Å; T84-S87 VanDerWaalsContact OG1-N 3.1Å; T84-S87 PolarHBondContact OG1-OG 2.92Å; T84-S87 VanDerWaalsContact OG1-OG 3.09Å; S87-R90 PolarHBondContact O-N 3.26Å; S87-L91 PolarHBondContact O-N 2.83Å
88I96.9Very high94.5Very high0 Ų037.4 Ų37.40%021%0.208CC..Hα-helixtrans-69.4-40.4178.6-71.3173.6000110.8P83 T84 D86 R90 L91 I92 F110 L118 L122P83-I88 HydrophobicContact CB-CD1 4.22Å; T84-I88 WeakPolarHBondContact O-CB 3.41Å; T84-I88 PolarHBondContact O-N 2.82Å; D86-I88 PolarHBondContact O-N 3.43Å; I88-R90 VanDerWaalsContact C-N 3.33Å; I88-R90 PolarHBondContact O-N 3.47Å; I88-L91 WeakPolarHBondContact O-CB 3.43Å; I88-L91 PolarHBondContact O-N 3.12Å; I88-I92 HydrophobicContact CG2-CD1 3.92Å; I88-I92 HydrophobicContact CG2-CG1 4.46Å; I88-I92 VanDerWaalsContact O-CG1 3.3Å; I88-I92 WeakPolarHBondContact O-CG1 3.45Å; I88-I92 PolarHBondContact O-N 3.46Å; I88-F110 HydrophobicContact CD1-CE1 3.98Å; I88-F110 HydrophobicContact CD1-CZ 3.89Å; I88-F110 HydrophobicContact CG1-CE1 3.91Å; I88-F110 HydrophobicContact CG1-CZ 4.09Å; I88-L118 HydrophobicContact CD1-CB 3.57Å; I88-L118 HydrophobicContact CD1-CD1 4.08Å; I88-L118 HydrophobicContact CD1-CG 4.35Å; I88-L122 HydrophobicContact CG2-CB 4.24Å; I88-L122 HydrophobicContact CG2-CD1 4.47Å
89G97.1Very high93.6Very high29 Ų2947.2 Ų47.230%0.29925%0.251SS..Hα-helixtrans-58.8-42.7174.400000112.7Q85 D86 I92 S93Q85-G89 PolarHBondContact O-N 2.8Å; D86-G89 PolarHBondContact O-N 3.5Å; G89-I92 PolarHBondContact O-N 3.11Å; G89-S93 PolarHBondContact O-N 3.25Å
90R97.1Very high93.1Very high84 Ų8454.5 Ų54.532%0.31728%0.282SS..Hα-helixtrans-67.4-41.4176-69.9174-168.3-77.5-12.2112.6L65 N66 D86 S87 I88 I92 S93 D94L65-R90 HydrophobicContact CD1-CB 3.88Å; L65-R90 HydrophobicContact CD2-CB 4.08Å; L65-R90 HydrophobicContact CG-CB 3.78Å; L65-R90 HydrophobicContact CG-CG 4.48Å; L65-R90 WeakPolarHBondContact O-CD 3.45Å; N66-R90 PolarHBondContact O-NH1 3.21Å; N66-R90 PolarHBondContact OD1-NE 3.15Å; D86-R90 VanDerWaalsContact CG-NE 3.27Å; D86-R90 WeakPolarHBondContact O-CB 3.31Å; D86-R90 VanDerWaalsContact O-CG 3.28Å; D86-R90 WeakPolarHBondContact O-CG 2.99Å; D86-R90 PolarHBondContact O-N 3.27Å; D86-R90 IonicContact OD1-CZ 3.37Å; D86-R90 IonicContact OD1-NE 2.89Å; D86-R90 PolarHBondContact OD1-NE 3.49Å; D86-R90 VanDerWaalsContact OD1-NE 3.13Å; D86-R90 IonicContact OD1-NH2 2.8Å; D86-R90 PolarHBondContact OD1-NH2 3.43Å; D86-R90 IonicContact OD2-CZ 2.89Å; D86-R90 IonicContact OD2-NE 2.78Å; D86-R90 PolarHBondContact OD2-NE 3.46Å; D86-R90 IonicContact OD2-NH2 3.61Å; D86-R90 PolarHBondContact OD2-NH2 3.24Å; S87-R90 PolarHBondContact O-N 3.26Å; I88-R90 VanDerWaalsContact C-N 3.33Å; I88-R90 PolarHBondContact O-N 3.47Å; R90-I92 VanDerWaalsContact C-N 3.31Å; R90-I92 PolarHBondContact O-N 3.44Å; R90-S93 WeakPolarHBondContact O-CB 3.44Å; R90-S93 PolarHBondContact O-N 2.89Å; R90-D94 PolarHBondContact O-N 3.5Å; R90-D94 VanDerWaalsContact O-N 3.1Å
91L97.4Very high92.9Very high0 Ų055.2 Ų55.20%029%0.287CS..Hα-helixtrans-58-44.2172.1169.463.6000111.2Y79 I81 S87 I88 S93 D94 F95 A106 V108 L122Y79-L91 HydrophobicContact CD1-CD1 3.78Å; Y79-L91 HydrophobicContact CD2-CD1 3.91Å; Y79-L91 HydrophobicContact CE1-CD1 3.61Å; Y79-L91 HydrophobicContact CE2-CD1 3.75Å; Y79-L91 HydrophobicContact CG-CD1 3.91Å; I81-L91 HydrophobicContact CD1-CB 4.39Å; I81-L91 HydrophobicContact CD1-CD2 4.24Å; S87-L91 PolarHBondContact O-N 2.83Å; I88-L91 WeakPolarHBondContact O-CB 3.43Å; I88-L91 PolarHBondContact O-N 3.12Å; L91-S93 VanDerWaalsContact C-N 3.35Å; L91-D94 PolarHBondContact O-N 3.06Å; L91-F95 HydrophobicContact CD1-CD2 4.34Å; L91-F95 HydrophobicContact CD1-CE2 3.96Å; L91-F95 WeakPolarHBondContact O-CD2 3.46Å; L91-A106 HydrophobicContact CD1-CB 4.47Å; L91-V108 HydrophobicContact CD1-CG2 4.22Å; L91-V108 HydrophobicContact CD2-CG1 4.09Å; L91-V108 HydrophobicContact CD2-CG2 3.8Å; L91-L122 HydrophobicContact CD2-CD1 3.79Å; L91-L122 HydrophobicContact CD2-CD2 4.12Å; L91-L122 HydrophobicContact CG-CD1 4.27Å
92I97.1Very high92.9Very high24 Ų2456.4 Ų56.412%0.12329%0.292CS..Hα-helixtrans-62.7-43.8176.9-68.8168.9000110.6I88 G89 R90 D94 F95 Q96 E121 L122I88-I92 HydrophobicContact CG2-CD1 3.92Å; I88-I92 HydrophobicContact CG2-CG1 4.46Å; I88-I92 VanDerWaalsContact O-CG1 3.3Å; I88-I92 WeakPolarHBondContact O-CG1 3.45Å; I88-I92 PolarHBondContact O-N 3.46Å; G89-I92 PolarHBondContact O-N 3.11Å; R90-I92 VanDerWaalsContact C-N 3.31Å; R90-I92 PolarHBondContact O-N 3.44Å; I92-D94 VanDerWaalsContact C-N 3.26Å; I92-D94 PolarHBondContact O-N 2.86Å; I92-F95 CarbonylContact O-C 3.52Å; I92-F95 PolarHBondContact O-N 3.33Å; I92-F95 VanDerWaalsContact O-N 3.11Å; I92-Q96 PolarHBondContact O-N 3.18Å; I92-Q96 VanDerWaalsContact O-N 3.09Å; I92-E121 HydrophobicContact CD1-CG 4.15Å; I92-L122 HydrophobicContact CD1-CD1 4.44Å; I92-L122 HydrophobicContact CG1-CD1 3.88Å
93S95.6Very high93Very high70 Ų7056.4 Ų56.449%0.4929%0.292SS..Hα-helixtrans-58.9-35.3179-173.90000112.9G89 R90 L91 F95 Q96G89-S93 PolarHBondContact O-N 3.25Å; R90-S93 WeakPolarHBondContact O-CB 3.44Å; R90-S93 PolarHBondContact O-N 2.89Å; L91-S93 VanDerWaalsContact C-N 3.35Å; S93-F95 PolarHBondContact O-N 2.89Å; S93-F95 VanDerWaalsContact O-N 3.17Å; S93-Q96 PolarHBondContact O-N 3.4Å
94D96.7Very high93Very high15 Ų1561.3 Ų61.38%0.0831%0.312CS..THydrogen-bonded Turntrans-62.8-20.7179-76.6-7.1000113R69 Y79 R90 L91 I92 Q102R69-D94 IonicContact CZ-OD1 3.21Å; R69-D94 IonicContact CZ-OD2 3.11Å; R69-D94 IonicContact NH1-OD1 3.19Å; R69-D94 IonicContact NH1-OD2 2.73Å; R69-D94 PolarHBondContact NH1-OD2 3.43Å; R69-D94 IonicContact NH2-OD1 3.98Å; R69-D94 PolarHBondContact NH2-OD1 3.23Å; R69-D94 IonicContact NH2-OD2 3.59Å; R69-D94 PolarHBondContact NH2-OD2 2.94Å; R69-D94 VanDerWaalsContact NH2-OD2 3.08Å; Y79-D94 WeakPolarHBondContact CE1-OD2 2.98Å; Y79-D94 WeakPolarHBondContact OH-CB 3.32Å; Y79-D94 PolarHBondContact OH-OD2 3.4Å; R90-D94 PolarHBondContact O-N 3.5Å; R90-D94 VanDerWaalsContact O-N 3.1Å; L91-D94 PolarHBondContact O-N 3.06Å; I92-D94 VanDerWaalsContact C-N 3.26Å; I92-D94 PolarHBondContact O-N 2.86Å; D94-Q102 HydrophobicContact CB-CB 3.7Å; D94-Q102 HydrophobicContact CB-CG 4.37Å; D94-Q102 WeakPolarHBondContact O-CB 3.4Å; D94-Q102 PolarHBondContact O-N 3Å
95F96.1Very high93.1Very high3 Ų359.2 Ų59.21%0.01330%0.3CS..THydrogen-bonded Turntrans-124.89.5-177.4-59.2-77000114.2Y79 L91 I92 S93 N97 T101 Y103 A106 A127 K130Y79-F95 HydrophobicContact CE2-CE2 4.01Å; Y79-F95 HydrophobicContact CE2-CZ 4.23Å; Y79-F95 AromaticContact CZ-CE2 3.99Å; Y79-F95 WeakPolarHBondContact OH-CE2 3.46Å; L91-F95 HydrophobicContact CD1-CD2 4.34Å; L91-F95 HydrophobicContact CD1-CE2 3.96Å; L91-F95 WeakPolarHBondContact O-CD2 3.46Å; I92-F95 CarbonylContact O-C 3.52Å; I92-F95 PolarHBondContact O-N 3.33Å; I92-F95 VanDerWaalsContact O-N 3.11Å; S93-F95 PolarHBondContact O-N 2.89Å; S93-F95 VanDerWaalsContact O-N 3.17Å; F95-N97 VanDerWaalsContact C-N 3.32Å; F95-N97 PolarHBondContact O-N 2.92Å; F95-T101 HydrophobicContact CD1-CG2 4.12Å; F95-Y103 WeakPolarHBondContact CE1-O 3.5Å; F95-Y103 HydrophobicContact CZ-CD2 4.33Å; F95-A106 HydrophobicContact CE2-CB 3.77Å; F95-A106 HydrophobicContact CZ-CB 3.76Å; F95-A127 HydrophobicContact CB-CB 3.85Å; F95-A127 HydrophobicContact CD2-CB 3.96Å; F95-A127 HydrophobicContact CG-CB 4.26Å; F95-K130 HydrophobicContact CB-CG 4.45Å; F95-K130 HydrophobicContact CD1-CB 3.71Å; F95-K130 HydrophobicContact CD1-CG 3.7Å; F95-K130 HydrophobicContact CE1-CB 3.95Å; F95-K130 HydrophobicContact CE1-CG 4.28Å; F95-K130 HydrophobicContact CG-CB 4.13Å; F95-K130 HydrophobicContact CG-CG 4.25Å
96Q90.3Very high93.3Very high134 Ų13453.9 Ų53.963%0.62628%0.275SS*.SBendtrans-62.1-38.3-176.7-170177.55.600112.5I92 S93I92-Q96 PolarHBondContact O-N 3.18Å; I92-Q96 VanDerWaalsContact O-N 3.09Å; S93-Q96 PolarHBondContact O-N 3.4Å
97N87.1Confident93.4Very high85 Ų8550.9 Ų50.946%0.45526%0.258SS..  trans-98.5111.3177.8-171.9-17.9000111.5F95 F99 K100 T101F95-N97 VanDerWaalsContact C-N 3.32Å; F95-N97 PolarHBondContact O-N 2.92Å; N97-F99 PolarHBondContact O-N 3.38Å; N97-F99 VanDerWaalsContact O-N 3.16Å; N97-F99 PolarHBondContact OD1-N 2.84Å; N97-K100 CarbonylContact O-C 3.58Å; N97-K100 VanDerWaalsContact O-C 3.31Å; N97-K100 PolarHBondContact O-N 3.4Å; N97-K100 VanDerWaalsContact O-N 3.14Å; N97-T101 WeakPolarHBondContact O-CG2 3.47Å; N97-T101 PolarHBondContact O-N 2.96Å
98S78.7Confident93.5Very high91 Ų9150.7 Ų50.764%0.63626%0.257SS*.THydrogen-bonded Turntrans-62.1-22.7-179-67.50000114.5
99F79.4Confident93.5Very high206 Ų20650.8 Ų50.890%0.90426%0.258SS*.THydrogen-bonded Turntrans-91.7-15179.4-58.9-77.6000113.6N97N97-F99 PolarHBondContact O-N 3.38Å; N97-F99 VanDerWaalsContact O-N 3.16Å; N97-F99 PolarHBondContact OD1-N 2.84Å
100K87.4Confident93.4Very high153 Ų15349.5 Ų49.567%0.66524%0.244SC*.SBendtrans-144.969.2-176.6-167.3180-179179.80109.7N97N97-K100 CarbonylContact O-C 3.58Å; N97-K100 VanDerWaalsContact O-C 3.31Å; N97-K100 PolarHBondContact O-N 3.4Å; N97-K100 VanDerWaalsContact O-N 3.14Å
101T92.8Very high93.2Very high16 Ų1645.5 Ų45.510%0.09823%0.229CC..  trans-79.4150.8175.659.30000110.7F95 N97 Y103F95-T101 HydrophobicContact CD1-CG2 4.12Å; N97-T101 WeakPolarHBondContact O-CG2 3.47Å; N97-T101 PolarHBondContact O-N 2.96Å; T101-Y103 VanDerWaalsContact C-N 3.33Å; T101-Y103 WeakPolarHBondContact CB-O 3.26Å; T101-Y103 PolarHBondContact OG1-O 3.31Å
102Q95.8Very high92.8Very high26 Ų2646 Ų4612%0.12123%0.231CC..SBendtrans-64.9-40176.4-168.767.211.600111.5R69 E70 I72 D94R69-Q102 VanDerWaalsContact C-NE2 3.26Å; R69-Q102 VanDerWaalsContact CB-NE2 3.29Å; R69-Q102 PolarHBondContact O-NE2 3.25Å; E70-Q102 PolarHBondContact O-NE2 3.37Å; I72-Q102 CarbonylContact C-O 3.48Å; I72-Q102 PolarHBondContact N-O 3.47Å; D94-Q102 HydrophobicContact CB-CB 3.7Å; D94-Q102 HydrophobicContact CB-CG 4.37Å; D94-Q102 WeakPolarHBondContact O-CB 3.4Å; D94-Q102 PolarHBondContact O-N 3Å
103Y96Very high92.5Very high1 Ų146.9 Ų46.90%0.00424%0.242CC..BIsolated β-bridgetrans-136.3169.7-179.1-51.5-69.5000111.1V34 V36 R69 I72 A77 Y79 F95 T101V34-Y103 HydrophobicContact CB-CD1 4.36Å; V34-Y103 HydrophobicContact CB-CE1 3.97Å; V34-Y103 HydrophobicContact CG1-CE1 3.74Å; V34-Y103 HydrophobicContact CG2-CD1 4.22Å; V34-Y103 HydrophobicContact CG2-CE1 3.97Å; V36-Y103 HydrophobicContact CG2-CE2 3.7Å; V36-Y103 WeakPolarHBondContact CG2-OH 3.46Å; R69-Y103 PolarHBondContact NH1-OH 3.07Å; I72-Y103 HydrophobicContact CB-CD1 4.42Å; A77-Y103 HydrophobicContact CB-CD1 3.95Å; A77-Y103 HydrophobicContact CB-CD2 3.38Å; A77-Y103 HydrophobicContact CB-CE1 4.33Å; A77-Y103 HydrophobicContact CB-CE2 3.8Å; A77-Y103 HydrophobicContact CB-CG 3.46Å; A77-Y103 VanDerWaalsContact CB-CG 3.46Å; Y79-Y103 HydrophobicContact CE2-CD2 4.25Å; Y79-Y103 AromaticContact CZ-CD2 3.98Å; Y79-Y103 AromaticContact CZ-CE2 3.93Å; Y79-Y103 WeakPolarHBondContact OH-CD2 3.22Å; Y79-Y103 VanDerWaalsContact OH-CE2 3.24Å; Y79-Y103 WeakPolarHBondContact OH-CE2 3.45Å; F95-Y103 WeakPolarHBondContact CE1-O 3.5Å; F95-Y103 HydrophobicContact CZ-CD2 4.33Å; T101-Y103 VanDerWaalsContact C-N 3.33Å; T101-Y103 WeakPolarHBondContact CB-O 3.26Å; T101-Y103 PolarHBondContact OG1-O 3.31Å
104K93.8Very high92.4Very high111 Ų11144.1 Ų44.148%0.48322%0.222SC..SBendtrans-66.4-43.9177.5-173.1178.3177.6179.40112.5P73 L75 E76P73-K104 WeakPolarHBondContact O-CA 3.47Å; P73-K104 WeakPolarHBondContact O-CB 3.46Å; L75-K104 WeakPolarHBondContact O-CB 3.48Å; L75-K104 PolarHBondContact O-N 3.21Å; E76-K104 HydrophobicContact CG-CB 4.16Å; E76-K104 HydrophobicContact CG-CD 4.2Å; E76-K104 HydrophobicContact CG-CG 4.45Å
105A94.8Very high92.2Very high3 Ų346.6 Ų46.63%0.02524%0.239CC..  trans-159.5166.2-178.600000110.1E76 A77 K130 K132E76-A105 HydrophobicContact CG-CB 4.01Å; A77-A105 PolarHBondContact N-O 3.5Å; A105-K130 WeakPolarHBondContact CA-O 3.48Å; A105-K130 WeakPolarHBondContact CB-O 3.36Å; A105-K132 HydrophobicContact CB-CD 3.73Å; A105-K132 HydrophobicContact CB-CG 4.01Å
106A97.2Very high92Very high0 Ų053.1 Ų53.10%027%0.274CS..EExtended strand (participates in β ladder)trans-119.8137.3179.800000112.1A77 Y79 L91 F95 V108 K130 I131 K132A77-A106 CarbonylContact O-C 3.47Å; A77-A106 WeakPolarHBondContact O-CA 3.24Å; Y79-A106 HydrophobicContact CD2-CB 3.85Å; Y79-A106 HydrophobicContact CE2-CB 3.69Å; L91-A106 HydrophobicContact CD1-CB 4.47Å; F95-A106 HydrophobicContact CE2-CB 3.77Å; F95-A106 HydrophobicContact CZ-CB 3.76Å; A106-V108 HydrophobicContact CB-CG2 4.13Å; A106-K130 PolarHBondContact N-O 2.95Å; A106-I131 HydrophobicContact CB-CG1 4.14Å; A106-I131 CarbonylContact O-C 3.52Å; A106-I131 WeakPolarHBondContact O-CA 3.42Å; A106-K132 PolarHBondContact O-N 3.42Å
107H97.5Very high92.3Very high13 Ų1349.4 Ų49.46%0.0627%0.272CS..EExtended strand (participates in β ladder)trans-114.3105.7164.7-62.9-90.2000107.6L23 E76 A77 I78 Y79 F109 T133L23-H107 HydrophobicContact CD1-CB 3.53Å; L23-H107 WeakPolarHBondContact CD2-ND1 3.05Å; E76-H107 IonicContact OE2-NE2 2.78Å; E76-H107 PolarHBondContact OE2-NE2 3.42Å; A77-H107 PolarHBondContact O-N 3.21Å; I78-H107 CarbonylContact C-O 3.58Å; I78-H107 WeakPolarHBondContact CA-O 3.23Å; Y79-H107 PolarHBondContact N-O 3.12Å; H107-F109 HydrophobicContact CB-CE2 3.95Å; H107-T133 WeakPolarHBondContact ND1-CB 3.41Å; H107-T133 PolarHBondContact ND1-OG1 2.87Å
108V97.7Very high92.7Very high0 Ų046.4 Ų46.40%026%0.256CS..EExtended strand (participates in β ladder)trans-100.6127-170.7-176.20000109.9Y79 L91 A106 F110 I131 T133 L134 K135Y79-V108 HydrophobicContact CD2-CG2 4.47Å; L91-V108 HydrophobicContact CD1-CG2 4.22Å; L91-V108 HydrophobicContact CD2-CG1 4.09Å; L91-V108 HydrophobicContact CD2-CG2 3.8Å; A106-V108 HydrophobicContact CB-CG2 4.13Å; V108-F110 HydrophobicContact CG1-CD1 4.3Å; V108-F110 HydrophobicContact CG1-CE1 3.92Å; V108-F110 HydrophobicContact CG1-CE2 4.28Å; V108-F110 HydrophobicContact CG1-CZ 3.91Å; V108-I131 HydrophobicContact CG2-CD1 4.21Å; V108-I131 HydrophobicContact CG2-CG1 4.08Å; V108-I131 HydrophobicContact CG2-CG2 4.34Å; V108-T133 PolarHBondContact N-O 2.81Å; V108-L134 HydrophobicContact CB-CD1 3.61Å; V108-L134 HydrophobicContact CG1-CD1 3.64Å; V108-L134 HydrophobicContact CG2-CD1 4.47Å; V108-L134 CarbonylContact O-C 3.49Å; V108-L134 VanDerWaalsContact O-CA 3.28Å; V108-L134 WeakPolarHBondContact O-CA 3.45Å; V108-K135 PolarHBondContact O-N 2.92Å
109F97.4Very high93.6Very high3 Ų346.1 Ų46.11%0.01324%0.243CC..EExtended strand (participates in β ladder)trans-125.2111.1175.9-63.6-96.9000108V19 L23 I78 Y79 L80 I81 H107 T133 K135 I137V19-F109 HydrophobicContact CB-CD1 4.32Å; V19-F109 HydrophobicContact CB-CE1 4.35Å; V19-F109 HydrophobicContact CB-CG 4.46Å; V19-F109 HydrophobicContact CG1-CB 4.34Å; V19-F109 HydrophobicContact CG1-CD1 4.1Å; V19-F109 HydrophobicContact CG1-CD2 3.66Å; V19-F109 HydrophobicContact CG1-CE1 4.26Å; V19-F109 HydrophobicContact CG1-CE2 3.84Å; V19-F109 HydrophobicContact CG1-CG 3.78Å; V19-F109 HydrophobicContact CG1-CZ 4.13Å; V19-F109 HydrophobicContact CG2-CB 4.47Å; V19-F109 HydrophobicContact CG2-CD1 3.87Å; V19-F109 HydrophobicContact CG2-CE1 4.26Å; V19-F109 HydrophobicContact CG2-CG 4.16Å; L23-F109 HydrophobicContact CD1-CE2 3.62Å; L23-F109 HydrophobicContact CD1-CZ 3.86Å; L23-F109 HydrophobicContact CG-CZ 4.46Å; I78-F109 HydrophobicContact CG2-CD2 3.95Å; I78-F109 HydrophobicContact CG2-CE2 3.97Å; Y79-F109 PolarHBondContact O-N 3.33Å; L80-F109 WeakPolarHBondContact CA-O 3.31Å; L80-F109 HydrophobicContact CD1-CB 3.94Å; I81-F109 PolarHBondContact N-O 3.08Å; I81-F109 VanDerWaalsContact N-O 3.08Å; H107-F109 HydrophobicContact CB-CE2 3.95Å; F109-T133 HydrophobicContact CE1-CG2 4.43Å; F109-T133 HydrophobicContact CE2-CG2 4.5Å; F109-T133 HydrophobicContact CZ-CG2 4.03Å; F109-K135 CarbonylContact C-O 3.33Å; F109-K135 VanDerWaalsContact CA-O 3.26Å; F109-K135 WeakPolarHBondContact CA-O 3.39Å; F109-K135 HydrophobicContact CD1-CB 3.97Å; F109-K135 HydrophobicContact CE1-CB 4.23Å; F109-K135 HydrophobicContact CE1-CD 4.09Å; F109-I137 HydrophobicContact CB-CG2 4.09Å; F109-I137 HydrophobicContact CD1-CG2 3.86Å; F109-I137 HydrophobicContact CG-CG2 4.43Å
110F96.3Very high94.4Very high2 Ų238.5 Ų38.51%0.00922%0.216CC..EExtended strand (participates in β ladder)trans-81.5137.4174.2-66.5-55.1000110.9I81 P83 I88 V108 E112 C114 L122 L134 K135 E136 I137I81-F110 HydrophobicContact CD1-CE1 4.07Å; I81-F110 HydrophobicContact CG1-CD1 4Å; I81-F110 HydrophobicContact CG1-CE1 4.06Å; I81-F110 CarbonylContact O-C 3.6Å; I81-F110 VanDerWaalsContact O-CA 3.24Å; I81-F110 WeakPolarHBondContact O-CA 3.23Å; P83-F110 HydrophobicContact CB-CB 4.35Å; P83-F110 HydrophobicContact CB-CD1 3.7Å; P83-F110 HydrophobicContact CB-CE1 4.04Å; P83-F110 HydrophobicContact CB-CG 3.97Å; P83-F110 HydrophobicContact CG-CB 4.43Å; I88-F110 HydrophobicContact CD1-CE1 3.98Å; I88-F110 HydrophobicContact CD1-CZ 3.89Å; I88-F110 HydrophobicContact CG1-CE1 3.91Å; I88-F110 HydrophobicContact CG1-CZ 4.09Å; V108-F110 HydrophobicContact CG1-CD1 4.3Å; V108-F110 HydrophobicContact CG1-CE1 3.92Å; V108-F110 HydrophobicContact CG1-CE2 4.28Å; V108-F110 HydrophobicContact CG1-CZ 3.91Å; F110-E112 VanDerWaalsContact C-N 3.26Å; F110-E112 WeakPolarHBondContact CB-O 3.31Å; F110-E112 PolarHBondContact O-N 3.46Å; F110-C114 HydrophobicContact CD2-CB 3.66Å; F110-C114 HydrophobicContact CE2-CB 3.77Å; F110-C114 HydrophobicContact CG-CB 4.33Å; F110-L122 HydrophobicContact CE2-CD2 4.45Å; F110-L122 HydrophobicContact CZ-CD2 3.95Å; F110-L134 HydrophobicContact CD2-CD1 4.21Å; F110-L134 HydrophobicContact CE2-CD1 3.64Å; F110-L134 HydrophobicContact CZ-CD1 4.25Å; F110-K135 PolarHBondContact N-O 3.31Å; F110-E136 HydrophobicContact CB-CG 4.23Å; F110-E136 WeakPolarHBondContact O-CA 3.21Å; F110-I137 VanDerWaalsContact O-CG1 3.31Å; F110-I137 WeakPolarHBondContact O-CG1 3.37Å; F110-I137 PolarHBondContact O-N 3.47Å
111T92Very high94.9Very high0 Ų035 Ų350%020%0.201CC..SBendtrans-66.4-28.1178.8560000112.8A41 M44 L80 I81 A82 N138 I139A41-T111 HydrophobicContact CB-CG2 4.42Å; M44-T111 HydrophobicContact SD-CG2 4.15Å; L80-T111 HydrophobicContact CD1-CG2 4.35Å; I81-T111 PolarHBondContact O-N 2.98Å; A82-T111 VanDerWaalsContact CA-OG1 3.23Å; A82-T111 WeakPolarHBondContact CA-OG1 3.44Å; A82-T111 WeakPolarHBondContact CB-OG1 3.5Å; T111-N138 CarbonylContact O-C 3.52Å; T111-N138 VanDerWaalsContact O-CA 3.3Å; T111-N138 WeakPolarHBondContact O-CA 3.33Å; T111-N138 PolarHBondContact O-N 3.45Å; T111-I139 VanDerWaalsContact CB-O 3.29Å; T111-I139 WeakPolarHBondContact CB-O 3.48Å; T111-I139 CarbonylContact O-C 3.57Å; T111-I139 PolarHBondContact O-N 2.94Å; T111-I139 VanDerWaalsContact O-O 3.09Å
112E89.7Confident95.1Very high10 Ų1034.3 Ų34.35%0.04720%0.197CC..SBendtrans-144.2177.6-178.955.7-163.6147.200109.7P83 F110 C114 A140 R175 E178P83-E112 VanDerWaalsContact CD-CG 3.49Å; P83-E112 HydrophobicContact CG-CG 3.68Å; F110-E112 VanDerWaalsContact C-N 3.26Å; F110-E112 WeakPolarHBondContact CB-O 3.31Å; F110-E112 PolarHBondContact O-N 3.46Å; E112-C114 PolarHBondContact O-N 3.27Å; E112-A140 HydrophobicContact CB-CB 3.9Å; E112-A140 HydrophobicContact CG-CB 4.35Å; E112-R175 IonicContact OE1-CZ 3.06Å; E112-R175 IonicContact OE1-NH1 3.87Å; E112-R175 PolarHBondContact OE1-NH1 3.32Å; E112-R175 IonicContact OE1-NH2 3.8Å; E112-E178 HydrophobicContact CB-CG 4.16Å
113A90.8Very high95.1Very high42 Ų4235.9 Ų35.935%0.34721%0.211SC..PPolyproline II helixtrans-56.5129.8178.300000111.7P83 P115P83-A113 WeakPolarHBondContact CG-O 3.1Å; A113-P115 WeakPolarHBondContact O-CD 3.48Å
114C93.4Very high95.1Very high12 Ų1243.9 Ų43.98%0.08125%0.246CC..PPolyproline II helixtrans-81.9123.8-180-173.80000111P83 F110 E112 D116 E136P83-C114 HydrophobicContact CB-CB 3.8Å; P83-C114 HydrophobicContact CG-CB 4.45Å; F110-C114 HydrophobicContact CD2-CB 3.66Å; F110-C114 HydrophobicContact CE2-CB 3.77Å; F110-C114 HydrophobicContact CG-CB 4.33Å; E112-C114 PolarHBondContact O-N 3.27Å; C114-D116 PolarHBondContact O-N 3.19Å; C114-E136 PolarHBondContact N-OE1 3.12Å
115P91.8Very high95.2Very high68 Ų6839.2 Ų39.244%0.44223%0.227SC..PPolyproline II helixtrans-57.2133.2176.2-24.833.9000112.1A113 G117 L118 F119A113-P115 WeakPolarHBondContact O-CD 3.48Å; P115-G117 PolarHBondContact O-N 3.39Å; P115-L118 HydrophobicContact CB-CD1 4.38Å; P115-L118 HydrophobicContact CB-CG 4.43Å; P115-L118 HydrophobicContact CG-CD1 4.09Å; P115-L118 PolarHBondContact O-N 3.31Å; P115-F119 PolarHBondContact O-N 3.07Å
116D93.2Very high95.1Very high140 Ų14041.9 Ų41.975%0.74924%0.244SC*.Hα-helixtrans-50.8-36.8-176.2-73.5-16.2000113.9C114 F119 S120C114-D116 PolarHBondContact O-N 3.19Å; D116-F119 PolarHBondContact O-N 2.83Å; D116-S120 WeakPolarHBondContact O-CB 3.44Å; D116-S120 PolarHBondContact O-N 3.4Å
117G95.6Very high95Very high56 Ų5641.9 Ų41.958%0.57724%0.244SC*.Hα-helixtrans-61-48.3176.900000112.5P115 S120 E121P115-G117 PolarHBondContact O-N 3.39Å; G117-S120 PolarHBondContact O-N 3.46Å; G117-E121 PolarHBondContact O-N 3.17Å
118L95.9Very high94.9Very high21 Ų2143.4 Ų43.411%0.1126%0.256CS..Hα-helixtrans-71.6-36.4179.1-62.7178.2000111.6P83 Q85 I88 P115 E121 L122P83-L118 WeakPolarHBondContact O-CD1 3.4Å; Q85-L118 HydrophobicContact CB-CD2 4.32Å; I88-L118 HydrophobicContact CD1-CB 3.57Å; I88-L118 HydrophobicContact CD1-CD1 4.08Å; I88-L118 HydrophobicContact CD1-CG 4.35Å; P115-L118 HydrophobicContact CB-CD1 4.38Å; P115-L118 HydrophobicContact CB-CG 4.43Å; P115-L118 HydrophobicContact CG-CD1 4.09Å; P115-L118 PolarHBondContact O-N 3.31Å; L118-E121 WeakPolarHBondContact O-CB 3.47Å; L118-E121 PolarHBondContact O-N 3.38Å; L118-L122 PolarHBondContact O-N 3.29Å
119F96.8Very high94.8Very high86 Ų8652.3 Ų52.338%0.37730%0.295SS..Hα-helixtrans-60-45.8172.2-176.7-98.5000111.2P115 D116 E121 L122 C123 L134P115-F119 PolarHBondContact O-N 3.07Å; D116-F119 PolarHBondContact O-N 2.83Å; F119-E121 VanDerWaalsContact C-N 3.34Å; F119-E121 PolarHBondContact O-N 3.38Å; F119-L122 PolarHBondContact O-N 3.17Å; F119-C123 VanDerWaalsContact CE1-SG 3.6Å; F119-C123 PolarHBondContact O-N 2.94Å; F119-C123 PolarHBondContact O-SG 3.14Å; F119-C123 VanDerWaalsContact O-SG 3.36Å; F119-L134 HydrophobicContact CD2-CD2 4.25Å; F119-L134 HydrophobicContact CE2-CD2 3.51Å; F119-L134 HydrophobicContact CZ-CD2 4.34Å
120S97.1Very high94.7Very high46 Ų4655.7 Ų55.732%0.32231%0.309SS..Hα-helixtrans-61-41.3176.2-162.40000112.3D116 G117 K124D116-S120 WeakPolarHBondContact O-CB 3.44Å; D116-S120 PolarHBondContact O-N 3.4Å; G117-S120 PolarHBondContact O-N 3.46Å; S120-K124 WeakPolarHBondContact O-CG 3.39Å; S120-K124 PolarHBondContact O-N 3.46Å; S120-K124 VanDerWaalsContact O-N 3.16Å; S120-K124 PolarHBondContact OG-NZ 2.87Å
121E96.8Very high94.7Very high78 Ų7857.1 Ų57.136%0.36432%0.317SS..Hα-helixtrans-59.8-49.7174.8-171.6-176.515400111Q85 I92 G117 L118 F119 C123 K124 S125Q85-E121 PolarHBondContact NE2-OE2 3.02Å; I92-E121 HydrophobicContact CD1-CG 4.15Å; G117-E121 PolarHBondContact O-N 3.17Å; L118-E121 WeakPolarHBondContact O-CB 3.47Å; L118-E121 PolarHBondContact O-N 3.38Å; F119-E121 VanDerWaalsContact C-N 3.34Å; F119-E121 PolarHBondContact O-N 3.38Å; E121-C123 PolarHBondContact O-N 3.33Å; E121-K124 PolarHBondContact O-N 2.85Å; E121-S125 PolarHBondContact O-N 3.42Å; E121-S125 VanDerWaalsContact O-N 3.1Å
122L97Very high94.9Very high2 Ų262.8 Ų62.81%0.0134%0.341CS..Hα-helixtrans-61-44.5179-176.561.3000112I88 L91 I92 F110 L118 F119 K124 S125 A127 I131 L134I88-L122 HydrophobicContact CG2-CB 4.24Å; I88-L122 HydrophobicContact CG2-CD1 4.47Å; L91-L122 HydrophobicContact CD2-CD1 3.79Å; L91-L122 HydrophobicContact CD2-CD2 4.12Å; L91-L122 HydrophobicContact CG-CD1 4.27Å; I92-L122 HydrophobicContact CD1-CD1 4.44Å; I92-L122 HydrophobicContact CG1-CD1 3.88Å; F110-L122 HydrophobicContact CE2-CD2 4.45Å; F110-L122 HydrophobicContact CZ-CD2 3.95Å; L118-L122 PolarHBondContact O-N 3.29Å; F119-L122 PolarHBondContact O-N 3.17Å; L122-K124 VanDerWaalsContact C-N 3.3Å; L122-K124 PolarHBondContact O-N 3.1Å; L122-S125 WeakPolarHBondContact O-CB 3.34Å; L122-S125 PolarHBondContact O-N 3.06Å; L122-S125 PolarHBondContact O-OG 3.23Å; L122-A127 HydrophobicContact CD1-CB 4.39Å; L122-I131 HydrophobicContact CD1-CD1 3.92Å; L122-I131 HydrophobicContact CD2-CD1 4Å; L122-I131 HydrophobicContact CG-CD1 3.98Å; L122-L134 HydrophobicContact CD2-CD1 4.28Å
123C96.4Very high95.2Very high60 Ų6063.8 Ų63.841%0.40535%0.348SS..Hα-helixtrans-61.8-35.5178.6-73.10000113F119 E121 S125 S128F119-C123 VanDerWaalsContact CE1-SG 3.6Å; F119-C123 PolarHBondContact O-N 2.94Å; F119-C123 PolarHBondContact O-SG 3.14Å; F119-C123 VanDerWaalsContact O-SG 3.36Å; E121-C123 PolarHBondContact O-N 3.33Å; C123-S125 VanDerWaalsContact C-N 3.35Å; C123-S128 VanDerWaalsContact O-CB 3.3Å; C123-S128 WeakPolarHBondContact O-CB 3.36Å; C123-S128 PolarHBondContact O-OG 3.45Å
124K96.1Very high95.5Very high169 Ų16964.9 Ų64.974%0.73535%0.348SS*.Hα-helixtrans-81.3-15.1178.6-69.8167.6-177156.80113.2S120 E121 L122S120-K124 WeakPolarHBondContact O-CG 3.39Å; S120-K124 PolarHBondContact O-N 3.46Å; S120-K124 VanDerWaalsContact O-N 3.16Å; S120-K124 PolarHBondContact OG-NZ 2.87Å; E121-K124 PolarHBondContact O-N 2.85Å; L122-K124 VanDerWaalsContact C-N 3.3Å; L122-K124 PolarHBondContact O-N 3.1Å
125S95.5Very high95.6Very high12 Ų1270 Ų708%0.08437%0.369CS..SBendtrans-73.1160.6-179.281.10000113E121 L122 C123 A127 S128E121-S125 PolarHBondContact O-N 3.42Å; E121-S125 VanDerWaalsContact O-N 3.1Å; L122-S125 WeakPolarHBondContact O-CB 3.34Å; L122-S125 PolarHBondContact O-N 3.06Å; L122-S125 PolarHBondContact O-OG 3.23Å; C123-S125 VanDerWaalsContact C-N 3.35Å; S125-A127 PolarHBondContact O-N 3.21Å; S125-A127 WeakPolarHBondContact OG-CB 3.07Å; S125-A127 PolarHBondContact OG-N 3.05Å; S125-S128 PolarHBondContact O-N 2.84Å; S125-S128 PolarHBondContact O-OG 3.37Å
126P93.5Very high95.7Very high59 Ų5971.1 Ų71.138%0.38337%0.368SS..G310 helixtrans-59.2-25.2170.4-24.635.2000114.1S128 K129P126-S128 PolarHBondContact O-N 3.41Å; P126-K129 PolarHBondContact O-N 2.89Å
127A95Very high95.5Very high0 Ų064.9 Ų64.90%033%0.334CS..G310 helixtrans-63.6-29-179.600000112.4F95 L122 S125 K129 K130 I131F95-A127 HydrophobicContact CB-CB 3.85Å; F95-A127 HydrophobicContact CD2-CB 3.96Å; F95-A127 HydrophobicContact CG-CB 4.26Å; L122-A127 HydrophobicContact CD1-CB 4.39Å; S125-A127 PolarHBondContact O-N 3.21Å; S125-A127 WeakPolarHBondContact OG-CB 3.07Å; S125-A127 PolarHBondContact OG-N 3.05Å; A127-K129 PolarHBondContact O-N 3.29Å; A127-K129 VanDerWaalsContact O-N 3.11Å; A127-K130 WeakPolarHBondContact O-CA 3.36Å; A127-K130 WeakPolarHBondContact O-CB 3.46Å; A127-K130 PolarHBondContact O-N 2.92Å; A127-I131 WeakPolarHBondContact O-CG1 3.48Å; A127-I131 PolarHBondContact O-N 3.33Å; A127-I131 VanDerWaalsContact O-N 3.16Å
128S95.5Very high95.3Very high45 Ų4563.9 Ų63.932%0.31532%0.316SS..G310 helixtrans-54.7-33.8179.766.30000113.2C123 S125 P126 K130 I131C123-S128 VanDerWaalsContact O-CB 3.3Å; C123-S128 WeakPolarHBondContact O-CB 3.36Å; C123-S128 PolarHBondContact O-OG 3.45Å; S125-S128 PolarHBondContact O-N 2.84Å; S125-S128 PolarHBondContact O-OG 3.37Å; P126-S128 PolarHBondContact O-N 3.41Å; S128-K130 PolarHBondContact O-N 2.98Å; S128-I131 PolarHBondContact O-N 3.41Å
129K94.8Very high94.9Very high188 Ų18863 Ų6382%0.81731%0.311SS*.G310 helixtrans-70.5-15.3177-61.8179.9-177.2176.10113.9P126 A127P126-K129 PolarHBondContact O-N 2.89Å; A127-K129 PolarHBondContact O-N 3.29Å; A127-K129 VanDerWaalsContact O-N 3.11Å
130K95.4Very high94.7Very high73 Ų7358.9 Ų58.932%0.31729%0.293SS..THydrogen-bonded Turntrans-107.4-13.3-177.7-63.1-67.4-172167.80112.5F95 A105 A106 A127 S128 K132F95-K130 HydrophobicContact CB-CG 4.45Å; F95-K130 HydrophobicContact CD1-CB 3.71Å; F95-K130 HydrophobicContact CD1-CG 3.7Å; F95-K130 HydrophobicContact CE1-CB 3.95Å; F95-K130 HydrophobicContact CE1-CG 4.28Å; F95-K130 HydrophobicContact CG-CB 4.13Å; F95-K130 HydrophobicContact CG-CG 4.25Å; A105-K130 WeakPolarHBondContact CA-O 3.48Å; A105-K130 WeakPolarHBondContact CB-O 3.36Å; A106-K130 PolarHBondContact N-O 2.95Å; A127-K130 WeakPolarHBondContact O-CA 3.36Å; A127-K130 WeakPolarHBondContact O-CB 3.46Å; A127-K130 PolarHBondContact O-N 2.92Å; S128-K130 PolarHBondContact O-N 2.98Å; K130-K132 PolarHBondContact O-N 3.4Å
131I96.7Very high94.5Very high32 Ų3257.2 Ų57.216%0.16428%0.28CS..EExtended strand (participates in β ladder)trans-76.6118.6177.9-66.7170.1000109.6A106 V108 L122 A127 S128 T133 L134A106-I131 HydrophobicContact CB-CG1 4.14Å; A106-I131 CarbonylContact O-C 3.52Å; A106-I131 WeakPolarHBondContact O-CA 3.42Å; V108-I131 HydrophobicContact CG2-CD1 4.21Å; V108-I131 HydrophobicContact CG2-CG1 4.08Å; V108-I131 HydrophobicContact CG2-CG2 4.34Å; L122-I131 HydrophobicContact CD1-CD1 3.92Å; L122-I131 HydrophobicContact CD2-CD1 4Å; L122-I131 HydrophobicContact CG-CD1 3.98Å; A127-I131 WeakPolarHBondContact O-CG1 3.48Å; A127-I131 PolarHBondContact O-N 3.33Å; A127-I131 VanDerWaalsContact O-N 3.16Å; S128-I131 PolarHBondContact O-N 3.41Å; I131-T133 VanDerWaalsContact CG2-O 3.3Å; I131-T133 WeakPolarHBondContact CG2-O 3.4Å; I131-L134 HydrophobicContact CG2-CB 4.07Å
132K96.5Very high94.2Very high120 Ų12053.7 Ų53.752%0.52226%0.264SS..EExtended strand (participates in β ladder)trans-98.9-23.6177.5-72.6-175.2173.3-170.10113.3E76 A105 A106 K130E76-K132 IonicContact OE1-NZ 3.34Å; E76-K132 PolarHBondContact OE1-NZ 2.85Å; E76-K132 IonicContact OE2-NZ 3.26Å; A105-K132 HydrophobicContact CB-CD 3.73Å; A105-K132 HydrophobicContact CB-CG 4.01Å; A106-K132 PolarHBondContact O-N 3.42Å; K130-K132 PolarHBondContact O-N 3.4Å
133T96.4Very high94Very high30 Ų3053.9 Ų53.918%0.18427%0.266CS..EExtended strand (participates in β ladder)trans-143.8136.1178-56.20000107.5H107 V108 F109 I131 K135H107-T133 WeakPolarHBondContact ND1-CB 3.41Å; H107-T133 PolarHBondContact ND1-OG1 2.87Å; V108-T133 PolarHBondContact N-O 2.81Å; F109-T133 HydrophobicContact CE1-CG2 4.43Å; F109-T133 HydrophobicContact CE2-CG2 4.5Å; F109-T133 HydrophobicContact CZ-CG2 4.03Å; I131-T133 VanDerWaalsContact CG2-O 3.3Å; I131-T133 WeakPolarHBondContact CG2-O 3.4Å; T133-K135 HydrophobicContact CG2-CD 4.19Å; T133-K135 HydrophobicContact CG2-CG 4.01Å
134L96.5Very high93.8Very high65 Ų6552.6 Ų52.634%0.3425%0.252SS..EExtended strand (participates in β ladder)trans-139.3111.4174.9-173.261.7000106.8V108 F110 F119 L122 I131V108-L134 HydrophobicContact CB-CD1 3.61Å; V108-L134 HydrophobicContact CG1-CD1 3.64Å; V108-L134 HydrophobicContact CG2-CD1 4.47Å; V108-L134 CarbonylContact O-C 3.49Å; V108-L134 VanDerWaalsContact O-CA 3.28Å; V108-L134 WeakPolarHBondContact O-CA 3.45Å; F110-L134 HydrophobicContact CD2-CD1 4.21Å; F110-L134 HydrophobicContact CE2-CD1 3.64Å; F110-L134 HydrophobicContact CZ-CD1 4.25Å; F119-L134 HydrophobicContact CD2-CD2 4.25Å; F119-L134 HydrophobicContact CE2-CD2 3.51Å; F119-L134 HydrophobicContact CZ-CD2 4.34Å; L122-L134 HydrophobicContact CD2-CD1 4.28Å; I131-L134 HydrophobicContact CG2-CB 4.07Å
135K95.3Very high93.7Very high120 Ų12044.9 Ų44.952%0.52222%0.219SC..EExtended strand (participates in β ladder)trans-141.1160-177-70-172.2177.8-174.10110.6V108 F109 F110 T133V108-K135 PolarHBondContact O-N 2.92Å; F109-K135 CarbonylContact C-O 3.33Å; F109-K135 VanDerWaalsContact CA-O 3.26Å; F109-K135 WeakPolarHBondContact CA-O 3.39Å; F109-K135 HydrophobicContact CD1-CB 3.97Å; F109-K135 HydrophobicContact CE1-CB 4.23Å; F109-K135 HydrophobicContact CE1-CD 4.09Å; F110-K135 PolarHBondContact N-O 3.31Å; T133-K135 HydrophobicContact CG2-CD 4.19Å; T133-K135 HydrophobicContact CG2-CG 4.01Å
136E92.7Very high93.4Very high91 Ų9144.9 Ų44.943%0.42522%0.219SC..EExtended strand (participates in β ladder)trans-109.4131.9169.5-63.5170.4166.700107.6F110 C114F110-E136 HydrophobicContact CB-CG 4.23Å; F110-E136 WeakPolarHBondContact O-CA 3.21Å; C114-E136 PolarHBondContact N-OE1 3.12Å
137I90.8Very high93.5Very high9 Ų942.9 Ų42.95%0.04620%0.204CC..  trans-96.6-16.9179.163156.7000112.5R14 V19 M44 L80 F109 F110 I139R14-I137 VanDerWaalsContact CZ-O 3.29Å; R14-I137 PolarHBondContact NH1-O 3Å; R14-I137 PolarHBondContact NH2-O 2.97Å; V19-I137 HydrophobicContact CG2-CG2 3.58Å; M44-I137 HydrophobicContact CE-CD1 4.42Å; L80-I137 HydrophobicContact CD1-CD1 3.55Å; L80-I137 HydrophobicContact CD1-CG1 4.2Å; F109-I137 HydrophobicContact CB-CG2 4.09Å; F109-I137 HydrophobicContact CD1-CG2 3.86Å; F109-I137 HydrophobicContact CG-CG2 4.43Å; F110-I137 VanDerWaalsContact O-CG1 3.31Å; F110-I137 WeakPolarHBondContact O-CG1 3.37Å; F110-I137 PolarHBondContact O-N 3.47Å; I137-I139 VanDerWaalsContact C-N 3.35Å; I137-I139 HydrophobicContact CD1-CB 3.98Å; I137-I139 HydrophobicContact CD1-CD1 4.23Å; I137-I139 HydrophobicContact CD1-CG1 4.17Å; I137-I139 HydrophobicContact CG1-CB 4.43Å; I137-I139 HydrophobicContact CG1-CG1 4.49Å; I137-I139 PolarHBondContact O-N 3.11Å
138N89.7Confident93.6Very high36 Ų3643 Ų4319%0.19321%0.205CC..  trans53.551.4179.4-58.8-41.3000112.2R14 T111 T182 T186 Y216R14-N138 PolarHBondContact NH1-O 3.29Å; T111-N138 CarbonylContact O-C 3.52Å; T111-N138 VanDerWaalsContact O-CA 3.3Å; T111-N138 WeakPolarHBondContact O-CA 3.33Å; T111-N138 PolarHBondContact O-N 3.45Å; N138-T182 WeakPolarHBondContact O-CB 3.35Å; N138-T186 PolarHBondContact O-OG1 3.47Å; N138-Y216 HydrophobicContact CB-CE1 3.75Å; N138-Y216 PolarHBondContact OD1-OH 3.33Å
139I89.4Confident93.6Very high1 Ų141.1 Ų41.11%0.00519%0.191CC..  trans-136.1100.2169.2-49.9179.9000106.1R14 I15 M44 T111 I137 F141R14-I139 HydrophobicContact CB-CD1 3.67Å; R14-I139 HydrophobicContact CG-CD1 4.5Å; I15-I139 HydrophobicContact CG1-CD1 4.26Å; M44-I139 HydrophobicContact CE-CB 3.81Å; M44-I139 HydrophobicContact CE-CG2 3.48Å; M44-I139 VanDerWaalsContact CE-CG2 3.48Å; M44-I139 WeakPolarHBondContact CE-O 3.26Å; T111-I139 VanDerWaalsContact CB-O 3.29Å; T111-I139 WeakPolarHBondContact CB-O 3.48Å; T111-I139 CarbonylContact O-C 3.57Å; T111-I139 PolarHBondContact O-N 2.94Å; T111-I139 VanDerWaalsContact O-O 3.09Å; I137-I139 VanDerWaalsContact C-N 3.35Å; I137-I139 HydrophobicContact CD1-CB 3.98Å; I137-I139 HydrophobicContact CD1-CD1 4.23Å; I137-I139 HydrophobicContact CD1-CG1 4.17Å; I137-I139 HydrophobicContact CG1-CB 4.43Å; I137-I139 HydrophobicContact CG1-CG1 4.49Å; I137-I139 PolarHBondContact O-N 3.11Å; I139-F141 HydrophobicContact CG2-CD1 4.11Å; I139-F141 HydrophobicContact CG2-CE1 3.75Å; I139-F141 HydrophobicContact CG2-CZ 4.14Å
140A91.2Very high93.7Very high0 Ų032.3 Ų32.30%015%0.153CC..  trans-124.540.1-178.400000111.8E112 Q179 T182E112-A140 HydrophobicContact CB-CB 3.9Å; E112-A140 HydrophobicContact CG-CB 4.35Å; A140-Q179 HydrophobicContact CB-CB 4.42Å; A140-Q179 HydrophobicContact CB-CG 3.85Å; A140-Q179 WeakPolarHBondContact O-CG 3.47Å; A140-Q179 PolarHBondContact O-NE2 3.18Å; A140-T182 HydrophobicContact CB-CG2 4.07Å; A140-T182 PolarHBondContact N-OG1 3.02Å
141F92.9Very high93.7Very high11 Ų1128.9 Ų28.95%0.04814%0.138CC..SBendtrans-143.1153.4177.365.5-86.3000110M44 I139 P143 L151 V183 T186M44-F141 WeakPolarHBondContact CG-O 3.3Å; I139-F141 HydrophobicContact CG2-CD1 4.11Å; I139-F141 HydrophobicContact CG2-CE1 3.75Å; I139-F141 HydrophobicContact CG2-CZ 4.14Å; F141-P143 HydrophobicContact CE2-CB 4.33Å; F141-L151 HydrophobicContact CB-CD2 3.82Å; F141-V183 HydrophobicContact CB-CG2 3.89Å; F141-V183 HydrophobicContact CD1-CB 4.21Å; F141-V183 HydrophobicContact CD1-CG2 3.39Å; F141-V183 HydrophobicContact CD2-CG2 4.04Å; F141-V183 HydrophobicContact CE1-CB 4.22Å; F141-V183 HydrophobicContact CE1-CG2 3.86Å; F141-V183 HydrophobicContact CE2-CG2 4.43Å; F141-V183 HydrophobicContact CG-CG2 3.49Å; F141-V183 VanDerWaalsContact CG-CG2 3.49Å; F141-V183 HydrophobicContact CZ-CG2 4.35Å; F141-T186 HydrophobicContact CE1-CG2 4.49Å; F141-T186 HydrophobicContact CZ-CG2 4.07Å
142T91.5Very high93.4Very high4 Ų428.7 Ų28.73%0.02514%0.137CC..EExtended strand (participates in β ladder)trans-92.3121.3172.6-58.20000109.5R43 A47 Y144 Y149 T150R43-T142 HydrophobicContact CB-CG2 4.43Å; A47-T142 HydrophobicContact CB-CG2 3.68Å; T142-Y144 VanDerWaalsContact C-N 3.27Å; T142-Y144 PolarHBondContact O-N 3.27Å; T142-Y149 WeakPolarHBondContact O-CA 3.48Å; T142-T150 HydrophobicContact CG2-CG2 4.29Å; T142-T150 PolarHBondContact N-O 3.06Å; T142-T150 PolarHBondContact O-N 2.95Å
143P91.4Very high93.2Very high7 Ų723 Ų235%0.04511%0.113CC..EExtended strand (participates in β ladder)trans-7679.4172.932.6-35.1000109.6V8 A47 C48 F141 E145V8-P143 HydrophobicContact CG2-CB 4.44Å; A47-P143 HydrophobicContact CB-CG 4.19Å; C48-P143 HydrophobicContact CB-CG 4.06Å; F141-P143 HydrophobicContact CE2-CB 4.33Å; P143-E145 PolarHBondContact O-N 2.9Å
144Y92.5Very high93.1Very high33 Ų3323.4 Ų23.413%0.12912%0.116CC..EExtended strand (participates in β ladder)trans-61.8-44-172.5-178.1-111.9000112.5T142 V148 D266 Y570 M573 L595T142-Y144 VanDerWaalsContact C-N 3.27Å; T142-Y144 PolarHBondContact O-N 3.27Å; Y144-V148 HydrophobicContact CD1-CB 4.41Å; Y144-V148 HydrophobicContact CD1-CG1 4.01Å; Y144-V148 PolarHBondContact N-O 3.35Å; Y144-D266 WeakPolarHBondContact CE2-OD1 3.18Å; Y144-D266 PolarHBondContact OH-OD1 3.31Å; Y144-Y570 HydrophobicContact CE1-CE1 4.27Å; Y144-Y570 PolarHBondContact OH-OH 3.33Å; Y144-M573 HydrophobicContact CD1-CE 4.39Å; Y144-M573 HydrophobicContact CE1-CE 4.19Å; Y144-M573 HydrophobicContact CE1-SD 4.25Å; Y144-L595 HydrophobicContact CD1-CD1 3.52Å; Y144-L595 HydrophobicContact CD2-CD1 3.84Å; Y144-L595 HydrophobicContact CE1-CD1 3.29Å; Y144-L595 HydrophobicContact CE2-CD1 3.61Å; Y144-L595 HydrophobicContact CG-CD1 3.8Å
145E93.5Very high93Very high7 Ų724.7 Ų24.73%0.03312%0.12CC..EExtended strand (participates in β ladder)trans-137.7170.9169.7-54.3-171.5142.700109.6P143 Q147 V148 Q254 E287 R296 Y577P143-E145 PolarHBondContact O-N 2.9Å; E145-Q147 PolarHBondContact O-N 3.28Å; E145-V148 HydrophobicContact CB-CB 3.83Å; E145-V148 HydrophobicContact CB-CG2 3.94Å; E145-V148 HydrophobicContact CG-CB 4.2Å; E145-V148 HydrophobicContact CG-CG2 4.28Å; E145-V148 PolarHBondContact N-O 3.48Å; E145-V148 PolarHBondContact O-N 3.48Å; E145-Q254 PolarHBondContact OE1-NE2 3.34Å; E145-E287 WeakPolarHBondContact CB-OE1 3.28Å; E145-R296 VanDerWaalsContact CD-CZ 3.47Å; E145-R296 WeakPolarHBondContact OE1-CD 3.49Å; E145-R296 IonicContact OE1-CZ 2.78Å; E145-R296 IonicContact OE1-NE 2.81Å; E145-R296 IonicContact OE1-NH1 3.7Å; E145-R296 PolarHBondContact OE1-NH1 3.49Å; E145-R296 IonicContact OE2-CZ 2.87Å; E145-R296 IonicContact OE2-NE 3.43Å; E145-R296 IonicContact OE2-NH1 3.87Å; E145-R296 PolarHBondContact OE2-NH1 2.98Å; E145-R296 IonicContact OE2-NH2 3.37Å; E145-Y577 WeakPolarHBondContact CB-OH 3.45Å; E145-Y577 VanDerWaalsContact OE2-CE2 3.3Å; E145-Y577 WeakPolarHBondContact OE2-CE2 3.33Å; E145-Y577 PolarHBondContact OE2-OH 2.9Å
146S91.1Very high93Very high11 Ų1119 Ų198%0.07710%0.096CC..THydrogen-bonded Turntrans-45.8-28.817542.10000117.3E287 R296 Y577S146-E287 VanDerWaalsContact CB-OE1 3.28Å; S146-E287 WeakPolarHBondContact CB-OE1 3.05Å; S146-E287 WeakPolarHBondContact CB-OE2 3.28Å; S146-E287 PolarHBondContact N-OE1 3.27Å; S146-E287 PolarHBondContact N-OE2 3.1Å; S146-E287 PolarHBondContact OG-OE1 2.76Å; S146-R296 PolarHBondContact OG-NH2 2.88Å; S146-Y577 PolarHBondContact N-OH 3.11Å; S146-Y577 VanDerWaalsContact OG-CE1 3.29Å; S146-Y577 WeakPolarHBondContact OG-CE1 3.38Å; S146-Y577 PolarHBondContact OG-OH 3.46Å
147Q94.9Very high93.2Very high18 Ų1814.7 Ų14.78%0.0848%0.076CC..THydrogen-bonded Turntrans-12910.3176.7-66.9-179.6-124.600111.7E145 A576 Y577 T580 V588 I589 I590E145-Q147 PolarHBondContact O-N 3.28Å; Q147-A576 PolarHBondContact NE2-O 3.22Å; Q147-Y577 HydrophobicContact CB-CE1 3.87Å; Q147-Y577 HydrophobicContact CB-CE2 4.22Å; Q147-Y577 HydrophobicContact CG-CD1 4.28Å; Q147-Y577 HydrophobicContact CG-CE1 3.74Å; Q147-Y577 PolarHBondContact N-OH 3.41Å; Q147-Y577 VanDerWaalsContact OE1-CE1 3.26Å; Q147-T580 VanDerWaalsContact NE2-CB 3.31Å; Q147-T580 PolarHBondContact NE2-OG1 3.1Å; Q147-V588 PolarHBondContact NE2-O 3.17Å; Q147-I589 HydrophobicContact CB-CD1 4.08Å; Q147-I589 HydrophobicContact CG-CD1 4.06Å; Q147-I589 WeakPolarHBondContact O-CA 3.5Å; Q147-I590 PolarHBondContact O-N 3.17Å
148V96.8Very high93.4Very high3 Ų315.2 Ų15.22%0.0188%0.078CC..EExtended strand (participates in β ladder)trans-125.5125.8-173.6-173.20000110.6Y144 E145 L568 M573 Y577 I590Y144-V148 HydrophobicContact CD1-CB 4.41Å; Y144-V148 HydrophobicContact CD1-CG1 4.01Å; Y144-V148 PolarHBondContact N-O 3.35Å; E145-V148 HydrophobicContact CB-CB 3.83Å; E145-V148 HydrophobicContact CB-CG2 3.94Å; E145-V148 HydrophobicContact CG-CB 4.2Å; E145-V148 HydrophobicContact CG-CG2 4.28Å; E145-V148 PolarHBondContact N-O 3.48Å; E145-V148 PolarHBondContact O-N 3.48Å; V148-L568 HydrophobicContact CG1-CD2 3.72Å; V148-M573 HydrophobicContact CG1-CE 4.11Å; V148-M573 HydrophobicContact CG1-CG 4.04Å; V148-M573 HydrophobicContact CG1-SD 4.22Å; V148-M573 HydrophobicContact CG2-CB 4.03Å; V148-M573 HydrophobicContact CG2-CG 3.87Å; V148-M573 HydrophobicContact CG2-SD 4.42Å; V148-Y577 HydrophobicContact CG2-CE2 3.99Å; V148-I590 CarbonylContact C-O 3.51Å; V148-I590 VanDerWaalsContact CA-O 3.22Å; V148-I590 WeakPolarHBondContact CA-O 3.24Å; V148-I590 HydrophobicContact CG2-CG2 4Å
149Y96.3Very high93.6Very high4 Ų415 Ų152%0.0168%0.076CC..EExtended strand (participates in β ladder)trans-120.4153.7172.668.1-83.2000111.8T142 L151 V183 I561 V562 F563 I589 I590 G591 S592T142-Y149 WeakPolarHBondContact O-CA 3.48Å; Y149-L151 HydrophobicContact CD2-CD2 3.99Å; Y149-L151 HydrophobicContact CE2-CD2 4.11Å; Y149-V183 HydrophobicContact CD1-CG1 4.31Å; Y149-V183 HydrophobicContact CD2-CG2 3.72Å; Y149-V183 HydrophobicContact CE1-CG1 4.33Å; Y149-V183 HydrophobicContact CE2-CG2 3.88Å; Y149-V183 HydrophobicContact CG-CG1 4.48Å; Y149-V183 HydrophobicContact CG-CG2 4.18Å; Y149-I561 HydrophobicContact CE1-CG2 4.24Å; Y149-V562 PolarHBondContact OH-O 3.11Å; Y149-F563 AromaticContact CE2-CD2 3.92Å; Y149-F563 HydrophobicContact CE2-CD2 3.92Å; Y149-F563 HydrophobicContact CE2-CE2 4.39Å; Y149-F563 WeakPolarHBondContact OH-CD2 3.41Å; Y149-I589 HydrophobicContact CD1-CG2 3.74Å; Y149-I589 HydrophobicContact CE1-CG2 3.95Å; Y149-I590 VanDerWaalsContact CD1-O 3.22Å; Y149-I590 WeakPolarHBondContact CD1-O 3.4Å; Y149-I590 PolarHBondContact N-O 3.37Å; Y149-G591 VanDerWaalsContact CE1-N 3.25Å; Y149-G591 WeakPolarHBondContact O-CA 3.47Å; Y149-S592 PolarHBondContact O-N 3.01Å
150T95.7Very high93.9Very high3 Ų315 Ų152%0.0188%0.077CC..EExtended strand (participates in β ladder)trans-132.8142.1172.5178.50000110.3T142 D152 S592T142-T150 HydrophobicContact CG2-CG2 4.29Å; T142-T150 PolarHBondContact N-O 3.06Å; T142-T150 PolarHBondContact O-N 2.95Å; T150-D152 VanDerWaalsContact C-N 3.3Å; T150-D152 PolarHBondContact OG1-N 2.69Å; T150-S592 WeakPolarHBondContact CA-O 3.45Å
151L95Very high94.2Very high1 Ų115.4 Ų15.41%0.0058%0.078CC..  trans-87-5177.5-52.4-171.9000113.1F141 Y149 S153 I176 Q179 I180 F563 S592F141-L151 HydrophobicContact CB-CD2 3.82Å; Y149-L151 HydrophobicContact CD2-CD2 3.99Å; Y149-L151 HydrophobicContact CE2-CD2 4.11Å; L151-S153 VanDerWaalsContact C-N 3.32Å; L151-S153 PolarHBondContact O-N 2.97Å; L151-I176 HydrophobicContact CB-CD1 4.35Å; L151-I176 HydrophobicContact CD1-CB 4.46Å; L151-I176 HydrophobicContact CD1-CD1 3.68Å; L151-I176 HydrophobicContact CD1-CG2 3.87Å; L151-Q179 HydrophobicContact CD1-CB 4.01Å; L151-Q179 HydrophobicContact CD2-CB 3.82Å; L151-Q179 HydrophobicContact CG-CB 4.36Å; L151-Q179 PolarHBondContact O-NE2 3.33Å; L151-Q179 VanDerWaalsContact O-NE2 3.07Å; L151-I180 HydrophobicContact CD1-CG1 4.07Å; L151-F563 HydrophobicContact CD1-CD2 4.43Å; L151-F563 HydrophobicContact CD1-CE2 3.37Å; L151-F563 HydrophobicContact CD1-CZ 3.49Å; L151-F563 VanDerWaalsContact CD1-CZ 3.49Å; L151-F563 HydrophobicContact CG-CE2 3.8Å; L151-F563 HydrophobicContact CG-CZ 4.31Å; L151-S592 PolarHBondContact N-O 3.33Å
152D91Very high94.2Very high28 Ų2814.9 Ų14.915%0.158%0.076CC..  trans48.248.3-176.5-164.627.2000114.1L40 R43 T150 P154 D593L40-D152 HydrophobicContact CD1-CB 4.42Å; R43-D152 WeakPolarHBondContact CD-OD2 3.44Å; R43-D152 IonicContact CZ-OD1 3.66Å; R43-D152 IonicContact CZ-OD2 3.67Å; R43-D152 IonicContact NE-OD2 3.71Å; R43-D152 IonicContact NH1-OD1 3.77Å; R43-D152 PolarHBondContact NH1-OD1 2.79Å; R43-D152 IonicContact NH1-OD2 2.73Å; R43-D152 PolarHBondContact NH1-OD2 3.17Å; T150-D152 VanDerWaalsContact C-N 3.3Å; T150-D152 PolarHBondContact OG1-N 2.69Å; D152-P154 VanDerWaalsContact C-CD 3.45Å; D152-D593 PolarHBondContact N-O 3.24Å
153S93.4Very high94Very high1 Ų117.6 Ų17.61%0.0079%0.093CC..  trans-127.764.3-179.1-174.20000111.2L151 E155 T156 D593L151-S153 VanDerWaalsContact C-N 3.32Å; L151-S153 PolarHBondContact O-N 2.97Å; S153-E155 VanDerWaalsContact C-OE2 3.31Å; S153-E155 WeakPolarHBondContact CB-OE1 3.46Å; S153-E155 PolarHBondContact O-N 3.32Å; S153-E155 VanDerWaalsContact O-N 3.16Å; S153-E155 PolarHBondContact OG-OE1 3.2Å; S153-T156 WeakPolarHBondContact O-CB 3.34Å; S153-T156 PolarHBondContact O-N 3.09Å; S153-T156 PolarHBondContact O-OG1 2.89Å; S153-T156 PolarHBondContact OG-OG1 3.34Å; S153-D593 PolarHBondContact N-O 3.34Å
154P93.9Very high93.7Very high38 Ų3822.8 Ų22.825%0.24712%0.117CC..THydrogen-bonded Turntrans-61.7-23.2-176.927.1-36.6000114.9D152 T156 F157 Q594 R600D152-P154 VanDerWaalsContact C-CD 3.45Å; P154-T156 PolarHBondContact O-N 3.37Å; P154-F157 PolarHBondContact O-N 3.17Å; P154-Q594 HydrophobicContact CB-CB 4.18Å; P154-Q594 PolarHBondContact O-NE2 3.28Å; P154-Q594 VanDerWaalsContact O-NE2 3.14Å; P154-R600 VanDerWaalsContact CB-NH2 3.33Å
155E93Very high93.2Very high92 Ų9224.4 Ų24.443%0.4313%0.125SC..Hα-helixtrans-61.8-23.4172.565.6-78.4179.500113.2S153 F157 Q158 L159S153-E155 VanDerWaalsContact C-OE2 3.31Å; S153-E155 WeakPolarHBondContact CB-OE1 3.46Å; S153-E155 PolarHBondContact O-N 3.32Å; S153-E155 VanDerWaalsContact O-N 3.16Å; S153-E155 PolarHBondContact OG-OE1 3.2Å; E155-F157 PolarHBondContact O-N 3.37Å; E155-Q158 PolarHBondContact O-N 3.03Å; E155-L159 PolarHBondContact O-N 3.28Å; E155-L159 VanDerWaalsContact O-N 3.09Å
156T96Very high92.4Very high2 Ų228.3 Ų28.31%0.01214%0.143CC..Hα-helixtrans-55-38.5176.1-63.30000110.9S153 P154 Q158 L159 F160 N172 I176 V565 D593S153-T156 WeakPolarHBondContact O-CB 3.34Å; S153-T156 PolarHBondContact O-N 3.09Å; S153-T156 PolarHBondContact O-OG1 2.89Å; S153-T156 PolarHBondContact OG-OG1 3.34Å; P154-T156 PolarHBondContact O-N 3.37Å; T156-Q158 VanDerWaalsContact C-N 3.31Å; T156-Q158 PolarHBondContact O-N 2.8Å; T156-L159 PolarHBondContact O-N 2.84Å; T156-F160 HydrophobicContact CG2-CB 4.49Å; T156-F160 WeakPolarHBondContact O-CB 3.4Å; T156-F160 PolarHBondContact O-N 3.1Å; T156-N172 PolarHBondContact OG1-ND2 3.05Å; T156-N172 PolarHBondContact OG1-OD1 2.63Å; T156-I176 HydrophobicContact CG2-CD1 4.3Å; T156-I176 HydrophobicContact CG2-CG1 4.23Å; T156-I176 WeakPolarHBondContact OG1-CD1 3.36Å; T156-V565 HydrophobicContact CG2-CG1 3.95Å; T156-D593 HydrophobicContact CG2-CB 4.01Å
157F96.8Very high92.2Very high0 Ų030.9 Ų30.90%017%0.172CC..Hα-helixtrans-56.2-45.5176-171.4-77.2000112.2P154 E155 Y161 L450 G566 F601 N604 L605 L608P154-F157 PolarHBondContact O-N 3.17Å; E155-F157 PolarHBondContact O-N 3.37Å; F157-Y161 HydrophobicContact CD1-CD2 4.18Å; F157-Y161 HydrophobicContact CD2-CD2 4.03Å; F157-Y161 HydrophobicContact CD2-CE2 4.14Å; F157-Y161 HydrophobicContact CE1-CD2 4.27Å; F157-Y161 HydrophobicContact CE2-CD2 4.1Å; F157-Y161 HydrophobicContact CE2-CE2 4.25Å; F157-Y161 HydrophobicContact CG-CD2 4.05Å; F157-Y161 HydrophobicContact CZ-CD2 4.22Å; F157-Y161 VanDerWaalsContact O-CD2 3.28Å; F157-Y161 WeakPolarHBondContact O-CD2 3.4Å; F157-Y161 PolarHBondContact O-N 3.29Å; F157-L450 HydrophobicContact CZ-CD1 4.12Å; F157-L450 HydrophobicContact CZ-CD2 4.46Å; F157-G566 WeakPolarHBondContact CD2-O 3.31Å; F157-F601 HydrophobicContact CE2-CD2 4.44Å; F157-F601 HydrophobicContact CE2-CE2 4.22Å; F157-F601 HydrophobicContact CZ-CE2 4.45Å; F157-N604 HydrophobicContact CD1-CB 3.75Å; F157-N604 HydrophobicContact CD2-CB 4.17Å; F157-N604 HydrophobicContact CE1-CB 3.6Å; F157-N604 WeakPolarHBondContact CE1-O 3.14Å; F157-N604 HydrophobicContact CE2-CB 4.07Å; F157-N604 HydrophobicContact CG-CB 4.05Å; F157-N604 HydrophobicContact CZ-CB 3.78Å; F157-L605 HydrophobicContact CZ-CD2 4.05Å; F157-L608 HydrophobicContact CD1-CD2 3.94Å; F157-L608 HydrophobicContact CD1-CG 4.47Å; F157-L608 HydrophobicContact CE1-CD1 3.77Å; F157-L608 HydrophobicContact CE1-CD2 3.7Å; F157-L608 HydrophobicContact CE1-CG 3.79Å; F157-L608 HydrophobicContact CZ-CD1 4.33Å
158Q95.5Very high91.9Very high20 Ų2032.3 Ų32.39%0.09319%0.191CC..Hα-helixtrans-71.6-43.9-178.1-63.5-60-45.300111.2E155 T156 F160 N162 K165 N604 K607E155-Q158 PolarHBondContact O-N 3.03Å; T156-Q158 VanDerWaalsContact C-N 3.31Å; T156-Q158 PolarHBondContact O-N 2.8Å; Q158-F160 VanDerWaalsContact C-N 3.31Å; Q158-F160 PolarHBondContact O-N 3.4Å; Q158-N162 WeakPolarHBondContact O-CA 3.41Å; Q158-N162 WeakPolarHBondContact O-CB 3.44Å; Q158-N162 PolarHBondContact O-N 2.87Å; Q158-K165 HydrophobicContact CB-CD 4.3Å; Q158-N604 PolarHBondContact NE2-O 2.83Å; Q158-K607 PolarHBondContact OE1-O 3.47Å
159L94.6Very high91.8Very high30 Ų3032.7 Ų32.716%0.15719%0.193CC..Hα-helixtrans-63.7-39.7177.5-66.6169.9000111.6E155 T156 K165 G167 L169 N172 R201E155-L159 PolarHBondContact O-N 3.28Å; E155-L159 VanDerWaalsContact O-N 3.09Å; T156-L159 PolarHBondContact O-N 2.84Å; L159-K165 HydrophobicContact CD2-CB 4.47Å; L159-G167 WeakPolarHBondContact CD2-O 3.46Å; L159-L169 HydrophobicContact CB-CD1 4.22Å; L159-N172 HydrophobicContact CD1-CB 3.51Å; L159-R201 PolarHBondContact O-NH1 3.22Å; L159-R201 VanDerWaalsContact O-NH1 3.12Å
160F96Very high91.6Very high3 Ų336.7 Ų36.71%0.01322%0.217CC..Hα-helixtrans-80.7-26.1-173.1-160.4-95.2000114.1T156 Q158 L169 M173 F199 R201 V565T156-F160 HydrophobicContact CG2-CB 4.49Å; T156-F160 WeakPolarHBondContact O-CB 3.4Å; T156-F160 PolarHBondContact O-N 3.1Å; Q158-F160 VanDerWaalsContact C-N 3.31Å; Q158-F160 PolarHBondContact O-N 3.4Å; F160-L169 HydrophobicContact CD2-CD1 4.31Å; F160-M173 HydrophobicContact CD2-SD 4.43Å; F160-M173 HydrophobicContact CE2-SD 4.17Å; F160-F199 AromaticContact CD1-CE1 3.95Å; F160-F199 HydrophobicContact CD1-CE1 3.95Å; F160-F199 AromaticContact CE1-CD1 3.81Å; F160-F199 HydrophobicContact CE1-CD1 3.81Å; F160-F199 AromaticContact CE1-CE1 3.31Å; F160-F199 HydrophobicContact CE1-CE1 3.31Å; F160-F199 HydrophobicContact CE1-CZ 4.25Å; F160-F199 HydrophobicContact CZ-CD1 4.27Å; F160-F199 HydrophobicContact CZ-CE1 4Å; F160-R201 HydrophobicContact CE1-CB 4.12Å; F160-R201 HydrophobicContact CE2-CB 3.66Å; F160-R201 HydrophobicContact CZ-CB 3.42Å; F160-R201 VanDerWaalsContact CZ-CB 3.42Å; F160-R201 HydrophobicContact CZ-CG 4.5Å; F160-R201 PolarHBondContact O-NH1 2.92Å; F160-V565 HydrophobicContact CB-CG1 4.06Å; F160-V565 HydrophobicContact CD1-CB 4.33Å; F160-V565 HydrophobicContact CD1-CG1 3.54Å; F160-V565 HydrophobicContact CD2-CG1 3.8Å; F160-V565 HydrophobicContact CE1-CB 4.1Å; F160-V565 HydrophobicContact CE1-CG1 3.75Å; F160-V565 HydrophobicContact CE2-CG1 4.03Å; F160-V565 HydrophobicContact CG-CG1 3.53Å; F160-V565 HydrophobicContact CZ-CB 4.3Å; F160-V565 HydrophobicContact CZ-CG1 3.99Å; F160-V565 HydrophobicContact CZ-CG2 4.23Å
161Y96.1Very high91.5Very high7 Ų739.4 Ų39.43%0.02724%0.24CC..Hα-helixtrans-116.5-21.4-178.7-62-68000114.9F157 P163 F199 D238 R239 Y449 L450 V565F157-Y161 HydrophobicContact CD1-CD2 4.18Å; F157-Y161 HydrophobicContact CD2-CD2 4.03Å; F157-Y161 HydrophobicContact CD2-CE2 4.14Å; F157-Y161 HydrophobicContact CE1-CD2 4.27Å; F157-Y161 HydrophobicContact CE2-CD2 4.1Å; F157-Y161 HydrophobicContact CE2-CE2 4.25Å; F157-Y161 HydrophobicContact CG-CD2 4.05Å; F157-Y161 HydrophobicContact CZ-CD2 4.22Å; F157-Y161 VanDerWaalsContact O-CD2 3.28Å; F157-Y161 WeakPolarHBondContact O-CD2 3.4Å; F157-Y161 PolarHBondContact O-N 3.29Å; Y161-P163 VanDerWaalsContact O-CD 3.31Å; Y161-P163 WeakPolarHBondContact O-CD 3.44Å; Y161-F199 HydrophobicContact CD1-CE2 4.28Å; Y161-F199 AromaticContact CD1-CZ 3.75Å; Y161-F199 HydrophobicContact CD1-CZ 3.75Å; Y161-F199 HydrophobicContact CE1-CE1 4.06Å; Y161-F199 HydrophobicContact CE1-CE2 4.04Å; Y161-F199 AromaticContact CE1-CZ 3.6Å; Y161-F199 HydrophobicContact CE1-CZ 3.6Å; Y161-D238 WeakPolarHBondContact OH-CA 3.47Å; Y161-R239 HydrophobicContact CE2-CB 4.39Å; Y161-R239 PolarHBondContact OH-N 3.29Å; Y161-Y449 WeakPolarHBondContact O-CB 3.41Å; Y161-L450 HydrophobicContact CD1-CD1 4.03Å; Y161-L450 HydrophobicContact CD1-CG 3.95Å; Y161-L450 HydrophobicContact CD2-CD1 4.39Å; Y161-L450 HydrophobicContact CE1-CG 4.02Å; Y161-L450 HydrophobicContact CG-CD1 3.94Å; Y161-L450 HydrophobicContact CG-CG 4.24Å; Y161-V565 PolarHBondContact OH-O 3.12Å
162N93.2Very high91.4Very high1 Ų140 Ų401%0.00524%0.243CC..  trans-80.1115.5-179.2-175-29.7000110.1Q158 Q164 K165 L608Q158-N162 WeakPolarHBondContact O-CA 3.41Å; Q158-N162 WeakPolarHBondContact O-CB 3.44Å; Q158-N162 PolarHBondContact O-N 2.87Å; N162-Q164 PolarHBondContact O-N 3.4Å; N162-Q164 VanDerWaalsContact O-N 3.17Å; N162-Q164 WeakPolarHBondContact OD1-CA 3.38Å; N162-Q164 VanDerWaalsContact OD1-CB 3.31Å; N162-Q164 WeakPolarHBondContact OD1-CB 3.27Å; N162-Q164 PolarHBondContact OD1-N 3Å; N162-K165 HydrophobicContact CB-CB 4.13Å; N162-K165 HydrophobicContact CB-CG 4.32Å; N162-K165 PolarHBondContact O-N 2.87Å; N162-K165 PolarHBondContact OD1-N 3.49Å; N162-L608 HydrophobicContact CB-CD2 3.97Å; N162-L608 PolarHBondContact ND2-O 3.42Å; N162-L608 PolarHBondContact OD1-O 3.09Å
163P87Confident91.7Very high60 Ų6039.4 Ų39.439%0.3924%0.24SC..THydrogen-bonded Turntrans-65.3-21.1-178.328.8-37.3000113.4Y161 Q166 Y449Y161-P163 VanDerWaalsContact O-CD 3.31Å; Y161-P163 WeakPolarHBondContact O-CD 3.44Å; P163-Q166 VanDerWaalsContact C-NE2 3.35Å; P163-Q166 PolarHBondContact O-NE2 3.33Å; P163-Y449 HydrophobicContact CG-CD1 3.95Å; P163-Y449 HydrophobicContact CG-CE1 3.49Å; P163-Y449 VanDerWaalsContact CG-CE1 3.49Å
164Q86.1Confident91.8Very high116 Ų11643.8 Ų43.854%0.54226%0.26SS..THydrogen-bonded Turntrans-84.2-24.1179.3-56.7179.7-11.100112.3N162 Q166N162-Q164 PolarHBondContact O-N 3.4Å; N162-Q164 VanDerWaalsContact O-N 3.17Å; N162-Q164 WeakPolarHBondContact OD1-CA 3.38Å; N162-Q164 VanDerWaalsContact OD1-CB 3.31Å; N162-Q164 WeakPolarHBondContact OD1-CB 3.27Å; N162-Q164 PolarHBondContact OD1-N 3Å; Q164-Q166 PolarHBondContact O-N 3.31Å
165K80.5Confident91.7Very high67 Ų6745.3 Ų45.329%0.29126%0.261SS..  trans-96.164.6-179.7-68.2-172.4173.2-174.80112Q158 L159 N162 I612Q158-K165 HydrophobicContact CB-CD 4.3Å; L159-K165 HydrophobicContact CD2-CB 4.47Å; N162-K165 HydrophobicContact CB-CB 4.13Å; N162-K165 HydrophobicContact CB-CG 4.32Å; N162-K165 PolarHBondContact O-N 2.87Å; N162-K165 PolarHBondContact OD1-N 3.49Å; K165-I612 HydrophobicContact CG-CD1 4.03Å; K165-I612 HydrophobicContact CG-CG1 3.95Å
166Q78.6Confident91.9Very high89 Ų8941 Ų4142%0.41624%0.241SC..  trans-82.8-23.2174-56.4-55.3-3300112.9P163 Q164 G168 L169 R201P163-Q166 VanDerWaalsContact C-NE2 3.35Å; P163-Q166 PolarHBondContact O-NE2 3.33Å; Q164-Q166 PolarHBondContact O-N 3.31Å; Q166-G168 PolarHBondContact O-N 3.43Å; Q166-L169 WeakPolarHBondContact O-CB 3.5Å; Q166-L169 PolarHBondContact O-N 3.06Å; Q166-R201 VanDerWaalsContact NE2-NH2 3.17Å
167G85.5Confident91.9Very high66 Ų6641 Ų4168%0.6824%0.241SC*.THydrogen-bonded Turntrans-63.1126.1176.100000111.2L159 L169L159-G167 WeakPolarHBondContact CD2-O 3.46Å; G167-L169 VanDerWaalsContact C-N 3.3Å; G167-L169 PolarHBondContact O-N 3.35Å
168G89.4Confident91.8Very high47 Ų4741.8 Ų41.849%0.48525%0.245SC..THydrogen-bonded Turntrans82.3-6179.100000115.6Q166 T170 A171 N172Q166-G168 PolarHBondContact O-N 3.43Å; G168-T170 PolarHBondContact O-N 3.12Å; G168-A171 PolarHBondContact O-N 3.41Å; G168-N172 WeakPolarHBondContact O-CB 3.48Å; G168-N172 PolarHBondContact O-N 3.36Å
169L93.2Very high91.8Very high12 Ų1240.9 Ų40.96%0.06324%0.24CC..Hα-helixtrans-57.4-48.6179.2172.459.9000112.1L159 F160 Q166 G167 A171 N172 M173 R201L159-L169 HydrophobicContact CB-CD1 4.22Å; F160-L169 HydrophobicContact CD2-CD1 4.31Å; Q166-L169 WeakPolarHBondContact O-CB 3.5Å; Q166-L169 PolarHBondContact O-N 3.06Å; G167-L169 VanDerWaalsContact C-N 3.3Å; G167-L169 PolarHBondContact O-N 3.35Å; L169-A171 PolarHBondContact O-N 2.82Å; L169-N172 PolarHBondContact O-N 3.09Å; L169-M173 HydrophobicContact CD1-CG 3.83Å; L169-M173 HydrophobicContact CD1-SD 4.06Å; L169-M173 HydrophobicContact CG-CE 4.13Å; L169-M173 HydrophobicContact CG-CG 4.38Å; L169-M173 HydrophobicContact CG-SD 4.31Å; L169-M173 WeakPolarHBondContact O-CG 3.19Å; L169-M173 PolarHBondContact O-N 2.86Å; L169-R201 VanDerWaalsContact CD2-CZ 3.49Å; L169-R201 VanDerWaalsContact CD2-NH1 3.28Å
170T93.6Very high91.9Very high87 Ų8739.4 Ų39.453%0.53423%0.233SC..Hα-helixtrans-58.4-47.9179.8-53.20000111.8G168 N172 M173 E174G168-T170 PolarHBondContact O-N 3.12Å; T170-N172 VanDerWaalsContact C-N 3.32Å; T170-N172 PolarHBondContact O-N 2.67Å; T170-M173 PolarHBondContact O-N 3.24Å; T170-E174 WeakPolarHBondContact O-CG 3.38Å; T170-E174 PolarHBondContact O-N 3.45Å
171A92.7Very high92Very high60 Ų6039.3 Ų39.350%0.49623%0.232SC..Hα-helixtrans-63.6-37.6178.400000112.1G168 L169 R175G168-A171 PolarHBondContact O-N 3.41Å; L169-A171 PolarHBondContact O-N 2.82Å; A171-R175 WeakPolarHBondContact O-CB 3.38Å; A171-R175 PolarHBondContact O-N 3.09Å
172N94.2Very high91.9Very high13 Ų1339 Ų397%0.0723%0.231CC..Hα-helixtrans-66.6-43.6173.6172.4-101.2000111.8T156 L159 G168 L169 T170 E174 R175 I176T156-N172 PolarHBondContact OG1-ND2 3.05Å; T156-N172 PolarHBondContact OG1-OD1 2.63Å; L159-N172 HydrophobicContact CD1-CB 3.51Å; G168-N172 WeakPolarHBondContact O-CB 3.48Å; G168-N172 PolarHBondContact O-N 3.36Å; L169-N172 PolarHBondContact O-N 3.09Å; T170-N172 VanDerWaalsContact C-N 3.32Å; T170-N172 PolarHBondContact O-N 2.67Å; N172-E174 PolarHBondContact O-N 3.36Å; N172-R175 WeakPolarHBondContact O-CB 3.31Å; N172-R175 PolarHBondContact O-N 2.93Å; N172-I176 VanDerWaalsContact O-CG1 3.26Å; N172-I176 WeakPolarHBondContact O-CG1 3.38Å; N172-I176 PolarHBondContact O-N 3.07Å
173M95.8Very high92Very high17 Ų1739 Ų398%0.08423%0.231CC..Hα-helixtrans-63.6-39.4176.3-69-168.4-57.200112.3F160 L169 T170 R175 I176 A177 D204 L208F160-M173 HydrophobicContact CD2-SD 4.43Å; F160-M173 HydrophobicContact CE2-SD 4.17Å; L169-M173 HydrophobicContact CD1-CG 3.83Å; L169-M173 HydrophobicContact CD1-SD 4.06Å; L169-M173 HydrophobicContact CG-CE 4.13Å; L169-M173 HydrophobicContact CG-CG 4.38Å; L169-M173 HydrophobicContact CG-SD 4.31Å; L169-M173 WeakPolarHBondContact O-CG 3.19Å; L169-M173 PolarHBondContact O-N 2.86Å; T170-M173 PolarHBondContact O-N 3.24Å; M173-R175 VanDerWaalsContact C-N 3.35Å; M173-I176 PolarHBondContact O-N 3.01Å; M173-A177 VanDerWaalsContact O-CB 3.29Å; M173-A177 WeakPolarHBondContact O-CB 3.36Å; M173-A177 PolarHBondContact O-N 2.98Å; M173-D204 HydrophobicContact CE-CB 4.45Å; M173-L208 HydrophobicContact CB-CD1 3.67Å
174E95.1Very high92.4Very high92 Ų9236.2 Ų36.243%0.4321%0.213SC..Hα-helixtrans-61.5-42.7173.6-76174.417800111.8T170 N172 A177 E178 L208T170-E174 WeakPolarHBondContact O-CG 3.38Å; T170-E174 PolarHBondContact O-N 3.45Å; N172-E174 PolarHBondContact O-N 3.36Å; E174-A177 PolarHBondContact O-N 3.3Å; E174-E178 PolarHBondContact O-N 3.38Å; E174-L208 HydrophobicContact CG-CD1 4.22Å; E174-L208 HydrophobicContact CG-CD2 3.94Å
175R92.9Very high92.7Very high70 Ų7032 Ų3226%0.26420%0.198SC..Hα-helixtrans-62.9-49.3174.3177.8180173.872.48.6111.7E112 A171 N172 M173 A177 E178 Q179E112-R175 IonicContact OE1-CZ 3.06Å; E112-R175 IonicContact OE1-NH1 3.87Å; E112-R175 PolarHBondContact OE1-NH1 3.32Å; E112-R175 IonicContact OE1-NH2 3.8Å; A171-R175 WeakPolarHBondContact O-CB 3.38Å; A171-R175 PolarHBondContact O-N 3.09Å; N172-R175 WeakPolarHBondContact O-CB 3.31Å; N172-R175 PolarHBondContact O-N 2.93Å; M173-R175 VanDerWaalsContact C-N 3.35Å; R175-A177 VanDerWaalsContact C-N 3.27Å; R175-A177 PolarHBondContact O-N 3.38Å; R175-E178 WeakPolarHBondContact O-CB 3.48Å; R175-E178 PolarHBondContact O-N 3Å; R175-Q179 HydrophobicContact CG-CG 4.47Å; R175-Q179 WeakPolarHBondContact O-CG 3.28Å; R175-Q179 PolarHBondContact O-N 3.48Å
176I96.3Very high93.1Very high3 Ų329.3 Ų29.32%0.01519%0.187CC..Hα-helixtrans-58.9-42.2177.7-67.1-68.8000110.3L151 T156 N172 M173 Q179 I180 L205 F563 D593L151-I176 HydrophobicContact CB-CD1 4.35Å; L151-I176 HydrophobicContact CD1-CB 4.46Å; L151-I176 HydrophobicContact CD1-CD1 3.68Å; L151-I176 HydrophobicContact CD1-CG2 3.87Å; T156-I176 HydrophobicContact CG2-CD1 4.3Å; T156-I176 HydrophobicContact CG2-CG1 4.23Å; T156-I176 WeakPolarHBondContact OG1-CD1 3.36Å; N172-I176 VanDerWaalsContact O-CG1 3.26Å; N172-I176 WeakPolarHBondContact O-CG1 3.38Å; N172-I176 PolarHBondContact O-N 3.07Å; M173-I176 PolarHBondContact O-N 3.01Å; I176-Q179 PolarHBondContact O-N 3.24Å; I176-I180 HydrophobicContact CG2-CD1 3.76Å; I176-I180 HydrophobicContact CG2-CG1 4.42Å; I176-I180 VanDerWaalsContact O-CG1 3.22Å; I176-I180 WeakPolarHBondContact O-CG1 3.26Å; I176-I180 PolarHBondContact O-N 3.33Å; I176-L205 HydrophobicContact CB-CD1 4.42Å; I176-L205 HydrophobicContact CG2-CD1 4.03Å; I176-L205 HydrophobicContact CG2-CD2 4.32Å; I176-F563 HydrophobicContact CG2-CE1 3.61Å; I176-F563 HydrophobicContact CG2-CZ 3.63Å; I176-D593 HydrophobicContact CD1-CB 4.43Å
177A97.7Very high93.7Very high0 Ų025.8 Ų25.80%017%0.171CC..Hα-helixtrans-62.3-43.8176.400000113.1M173 E174 R175 I180 A181 L205 L208 V209 K212M173-A177 VanDerWaalsContact O-CB 3.29Å; M173-A177 WeakPolarHBondContact O-CB 3.36Å; M173-A177 PolarHBondContact O-N 2.98Å; E174-A177 PolarHBondContact O-N 3.3Å; R175-A177 VanDerWaalsContact C-N 3.27Å; R175-A177 PolarHBondContact O-N 3.38Å; A177-I180 PolarHBondContact O-N 2.72Å; A177-A181 WeakPolarHBondContact O-CB 3.26Å; A177-A181 PolarHBondContact O-N 3.03Å; A177-L205 HydrophobicContact CB-CD1 4.16Å; A177-L208 HydrophobicContact CB-CB 3.54Å; A177-V209 HydrophobicContact CB-CG2 3.84Å; A177-K212 HydrophobicContact CB-CG 4.27Å
178E94.8Very high94Very high18 Ų1823.6 Ų23.68%0.08415%0.148CC..Hα-helixtrans-58.8-50.1173.8-172.168.2-151.200110.8E112 E174 R175 I180 A181 T182 K212 Y216E112-E178 HydrophobicContact CB-CG 4.16Å; E174-E178 PolarHBondContact O-N 3.38Å; R175-E178 WeakPolarHBondContact O-CB 3.48Å; R175-E178 PolarHBondContact O-N 3Å; E178-I180 PolarHBondContact O-N 3.44Å; E178-A181 WeakPolarHBondContact O-CA 3.37Å; E178-A181 WeakPolarHBondContact O-CB 3.15Å; E178-A181 PolarHBondContact O-N 3.01Å; E178-A181 VanDerWaalsContact O-N 3.08Å; E178-T182 WeakPolarHBondContact O-CG2 3.49Å; E178-T182 PolarHBondContact O-N 3.14Å; E178-K212 WeakPolarHBondContact OE2-CD 3.14Å; E178-K212 WeakPolarHBondContact OE2-CE 3.49Å; E178-K212 IonicContact OE2-NZ 3.63Å; E178-K212 PolarHBondContact OE2-NZ 3.18Å; E178-Y216 PolarHBondContact OE1-OH 3.19Å
179Q94.8Very high94.3Very high0 Ų021.4 Ų21.40%013%0.126CC..Hα-helixtrans-61-43.1-180-66.3-178.2-78.800112.1A140 L151 R175 I176 A181 T182 V183A140-Q179 HydrophobicContact CB-CB 4.42Å; A140-Q179 HydrophobicContact CB-CG 3.85Å; A140-Q179 WeakPolarHBondContact O-CG 3.47Å; A140-Q179 PolarHBondContact O-NE2 3.18Å; L151-Q179 HydrophobicContact CD1-CB 4.01Å; L151-Q179 HydrophobicContact CD2-CB 3.82Å; L151-Q179 HydrophobicContact CG-CB 4.36Å; L151-Q179 PolarHBondContact O-NE2 3.33Å; L151-Q179 VanDerWaalsContact O-NE2 3.07Å; R175-Q179 HydrophobicContact CG-CG 4.47Å; R175-Q179 WeakPolarHBondContact O-CG 3.28Å; R175-Q179 PolarHBondContact O-N 3.48Å; I176-Q179 PolarHBondContact O-N 3.24Å; Q179-A181 VanDerWaalsContact C-N 3.32Å; Q179-A181 PolarHBondContact O-N 3.2Å; Q179-T182 PolarHBondContact O-N 3.08Å; Q179-T182 PolarHBondContact O-OG1 3.26Å; Q179-V183 PolarHBondContact O-N 3.47Å
180I97.5Very high94.4Very high0 Ų022.9 Ų22.90%013%0.13CC..Hα-helixtrans-60.8-41.8173.7-67.7164.8000111L151 I176 A177 E178 T182 V183 C184 V209 L234 F563L151-I180 HydrophobicContact CD1-CG1 4.07Å; I176-I180 HydrophobicContact CG2-CD1 3.76Å; I176-I180 HydrophobicContact CG2-CG1 4.42Å; I176-I180 VanDerWaalsContact O-CG1 3.22Å; I176-I180 WeakPolarHBondContact O-CG1 3.26Å; I176-I180 PolarHBondContact O-N 3.33Å; A177-I180 PolarHBondContact O-N 2.72Å; E178-I180 PolarHBondContact O-N 3.44Å; I180-T182 VanDerWaalsContact C-N 3.29Å; I180-T182 PolarHBondContact O-N 2.81Å; I180-V183 WeakPolarHBondContact O-CB 3.37Å; I180-V183 PolarHBondContact O-N 3.43Å; I180-V183 VanDerWaalsContact O-N 3.17Å; I180-C184 PolarHBondContact O-N 3.03Å; I180-C184 PolarHBondContact O-SG 3.02Å; I180-V209 HydrophobicContact CB-CG2 4.25Å; I180-V209 HydrophobicContact CD1-CG2 3.87Å; I180-V209 HydrophobicContact CG2-CG1 4Å; I180-V209 HydrophobicContact CG2-CG2 4.17Å; I180-L234 HydrophobicContact CG2-CD1 3.6Å; I180-F563 HydrophobicContact CD1-CB 4.34Å; I180-F563 HydrophobicContact CD1-CD1 3.47Å; I180-F563 VanDerWaalsContact CD1-CD1 3.47Å; I180-F563 HydrophobicContact CD1-CD2 4.03Å; I180-F563 HydrophobicContact CD1-CE1 3.65Å; I180-F563 HydrophobicContact CD1-CE2 4.21Å; I180-F563 HydrophobicContact CD1-CG 3.66Å; I180-F563 HydrophobicContact CD1-CZ 4.04Å; I180-F563 HydrophobicContact CG1-CD1 4.35Å; I180-F563 HydrophobicContact CG1-CD2 4.01Å; I180-F563 HydrophobicContact CG1-CE1 4.47Å; I180-F563 HydrophobicContact CG1-CE2 4.17Å; I180-F563 HydrophobicContact CG1-CG 4.1Å; I180-F563 HydrophobicContact CG1-CZ 4.41Å
181A96.8Very high94.5Very high0 Ų018.8 Ų18.80%011%0.106CC..Hα-helixtrans-63.8-35.6176.800000111.6A177 E178 Q179 V183 C184 A185 K212 L213 Y216A177-A181 WeakPolarHBondContact O-CB 3.26Å; A177-A181 PolarHBondContact O-N 3.03Å; E178-A181 WeakPolarHBondContact O-CA 3.37Å; E178-A181 WeakPolarHBondContact O-CB 3.15Å; E178-A181 PolarHBondContact O-N 3.01Å; E178-A181 VanDerWaalsContact O-N 3.08Å; Q179-A181 VanDerWaalsContact C-N 3.32Å; Q179-A181 PolarHBondContact O-N 3.2Å; A181-V183 VanDerWaalsContact C-N 3.31Å; A181-V183 PolarHBondContact O-N 2.95Å; A181-C184 PolarHBondContact O-N 3.42Å; A181-C184 VanDerWaalsContact O-N 3.16Å; A181-A185 WeakPolarHBondContact O-CB 3.45Å; A181-A185 PolarHBondContact O-N 3.13Å; A181-K212 HydrophobicContact CB-CB 3.54Å; A181-L213 HydrophobicContact CB-CD2 4.12Å; A181-L213 HydrophobicContact CB-CG 4.45Å; A181-Y216 HydrophobicContact CB-CD2 3.76Å; A181-Y216 HydrophobicContact CB-CE2 3.71Å
182T94.1Very high94.7Very high0 Ų017 Ų170%09%0.089CC..Hα-helixtrans-64-32173.776.70000113.3N138 A140 E178 Q179 I180 T186 Y216N138-T182 WeakPolarHBondContact O-CB 3.35Å; A140-T182 HydrophobicContact CB-CG2 4.07Å; A140-T182 PolarHBondContact N-OG1 3.02Å; E178-T182 WeakPolarHBondContact O-CG2 3.49Å; E178-T182 PolarHBondContact O-N 3.14Å; Q179-T182 PolarHBondContact O-N 3.08Å; Q179-T182 PolarHBondContact O-OG1 3.26Å; I180-T182 VanDerWaalsContact C-N 3.29Å; I180-T182 PolarHBondContact O-N 2.81Å; T182-T186 VanDerWaalsContact O-CB 3.31Å; T182-T186 WeakPolarHBondContact O-CB 3.38Å; T182-T186 PolarHBondContact O-N 3.5Å; T182-T186 PolarHBondContact O-OG1 2.95Å; T182-Y216 WeakPolarHBondContact CG2-OH 3.28Å
183V94.8Very high94.9Very high3 Ų316.5 Ų16.52%0.0189%0.087CC..Hα-helixtrans-62.1-50.5171.3177.80000109.5F141 Y149 Q179 I180 A181 A185 T186 L187F141-V183 HydrophobicContact CB-CG2 3.89Å; F141-V183 HydrophobicContact CD1-CB 4.21Å; F141-V183 HydrophobicContact CD1-CG2 3.39Å; F141-V183 HydrophobicContact CD2-CG2 4.04Å; F141-V183 HydrophobicContact CE1-CB 4.22Å; F141-V183 HydrophobicContact CE1-CG2 3.86Å; F141-V183 HydrophobicContact CE2-CG2 4.43Å; F141-V183 HydrophobicContact CG-CG2 3.49Å; F141-V183 VanDerWaalsContact CG-CG2 3.49Å; F141-V183 HydrophobicContact CZ-CG2 4.35Å; Y149-V183 HydrophobicContact CD1-CG1 4.31Å; Y149-V183 HydrophobicContact CD2-CG2 3.72Å; Y149-V183 HydrophobicContact CE1-CG1 4.33Å; Y149-V183 HydrophobicContact CE2-CG2 3.88Å; Y149-V183 HydrophobicContact CG-CG1 4.48Å; Y149-V183 HydrophobicContact CG-CG2 4.18Å; Q179-V183 PolarHBondContact O-N 3.47Å; I180-V183 WeakPolarHBondContact O-CB 3.37Å; I180-V183 PolarHBondContact O-N 3.43Å; I180-V183 VanDerWaalsContact O-N 3.17Å; A181-V183 VanDerWaalsContact C-N 3.31Å; A181-V183 PolarHBondContact O-N 2.95Å; V183-A185 PolarHBondContact O-N 3.14Å; V183-T186 PolarHBondContact O-N 3.37Å; V183-L187 HydrophobicContact CG1-CD1 4.18Å; V183-L187 WeakPolarHBondContact O-CG 3.49Å; V183-L187 PolarHBondContact O-N 2.77Å; V183-L187 VanDerWaalsContact O-N 3.1Å
184C95.2Very high95Very high0 Ų016 Ų160%08%0.084CC..Hα-helixtrans-62.9-43.8179.9-60.70000111.5I180 A181 T186 L187 G188 E189 L213 M223I180-C184 PolarHBondContact O-N 3.03Å; I180-C184 PolarHBondContact O-SG 3.02Å; A181-C184 PolarHBondContact O-N 3.42Å; A181-C184 VanDerWaalsContact O-N 3.16Å; C184-T186 VanDerWaalsContact C-N 3.34Å; C184-T186 PolarHBondContact O-N 3.5Å; C184-L187 CarbonylContact O-C 3.54Å; C184-L187 PolarHBondContact O-N 3.19Å; C184-G188 PolarHBondContact O-N 2.9Å; C184-E189 WeakPolarHBondContact CB-O 3.4Å; C184-E189 PolarHBondContact O-N 2.81Å; C184-L213 HydrophobicContact CB-CD2 3.45Å; C184-L213 VanDerWaalsContact CB-CD2 3.45Å; C184-M223 HydrophobicContact CB-CE 3.96Å
185A92.8Very high95.2Very high27 Ų2713 Ų1322%0.2237%0.069CC..Hα-helixtrans-60.6-42.3176.500000111.8A181 V183 L187 G188 Y216 M223A181-A185 WeakPolarHBondContact O-CB 3.45Å; A181-A185 PolarHBondContact O-N 3.13Å; V183-A185 PolarHBondContact O-N 3.14Å; A185-L187 VanDerWaalsContact C-N 3.32Å; A185-L187 PolarHBondContact O-N 3.49Å; A185-G188 PolarHBondContact O-N 3.45Å; A185-Y216 HydrophobicContact CB-CD1 3.82Å; A185-Y216 HydrophobicContact CB-CE1 4.06Å; A185-Y216 HydrophobicContact CB-CG 4.13Å; A185-M223 HydrophobicContact CB-CE 3.93Å; A185-M223 VanDerWaalsContact N-CE 3.31Å
186T90.1Very high95.4Very high11 Ų1110.2 Ų10.27%0.0676%0.058CC..Hα-helixtrans-65.4-34.7178-630000112.6R14 N138 F141 T182 V183 C184 G188R14-T186 PolarHBondContact NH1-OG1 2.92Å; R14-T186 VanDerWaalsContact NH1-OG1 3.12Å; N138-T186 PolarHBondContact O-OG1 3.47Å; F141-T186 HydrophobicContact CE1-CG2 4.49Å; F141-T186 HydrophobicContact CZ-CG2 4.07Å; T182-T186 VanDerWaalsContact O-CB 3.31Å; T182-T186 WeakPolarHBondContact O-CB 3.38Å; T182-T186 PolarHBondContact O-N 3.5Å; T182-T186 PolarHBondContact O-OG1 2.95Å; V183-T186 PolarHBondContact O-N 3.37Å; C184-T186 VanDerWaalsContact C-N 3.34Å; C184-T186 PolarHBondContact O-N 3.5Å; T186-G188 VanDerWaalsContact C-N 3.29Å
187L90.9Very high95.4Very high16 Ų1612.2 Ų12.28%0.0847%0.073CC..Hα-helixtrans-81.5-10173.4-61.3174.4000112.7D7 Y10 V183 C184 A185 E189 K229 I561 I589D7-L187 HydrophobicContact CB-CD2 4.41Å; Y10-L187 HydrophobicContact CD2-CD2 4.42Å; V183-L187 HydrophobicContact CG1-CD1 4.18Å; V183-L187 WeakPolarHBondContact O-CG 3.49Å; V183-L187 PolarHBondContact O-N 2.77Å; V183-L187 VanDerWaalsContact O-N 3.1Å; C184-L187 CarbonylContact O-C 3.54Å; C184-L187 PolarHBondContact O-N 3.19Å; A185-L187 VanDerWaalsContact C-N 3.32Å; A185-L187 PolarHBondContact O-N 3.49Å; L187-E189 VanDerWaalsContact C-N 3.27Å; L187-E189 HydrophobicContact CB-CB 4.37Å; L187-E189 HydrophobicContact CB-CG 3.75Å; L187-E189 PolarHBondContact O-N 3.2Å; L187-K229 PolarHBondContact O-NZ 3Å; L187-I561 HydrophobicContact CD1-CD1 4.21Å; L187-I589 HydrophobicContact CD1-CG1 4.47Å
188G91.9Very high95.2Very high19 Ų1915.5 Ų15.520%0.1969%0.09CC..THydrogen-bonded Turntrans61.534.7-171.500000112.5C184 A185 T186 G224 K229C184-G188 PolarHBondContact O-N 2.9Å; A185-G188 PolarHBondContact O-N 3.45Å; T186-G188 VanDerWaalsContact C-N 3.29Å; G188-G224 PolarHBondContact O-N 2.95Å; G188-K229 WeakPolarHBondContact O-CD 2.95Å; G188-K229 PolarHBondContact O-NZ 2.78Å
189E94.3Very high95.2Very high2 Ų216 Ų161%0.0099%0.092CC..  trans-100.9139-178.7-69.2-64.9157.600110.8C184 L187 P191 M223 K229 S232 R559 I561C184-E189 WeakPolarHBondContact CB-O 3.4Å; C184-E189 PolarHBondContact O-N 2.81Å; L187-E189 VanDerWaalsContact C-N 3.27Å; L187-E189 HydrophobicContact CB-CB 4.37Å; L187-E189 HydrophobicContact CB-CG 3.75Å; L187-E189 PolarHBondContact O-N 3.2Å; E189-P191 VanDerWaalsContact C-CD 3.47Å; E189-P191 WeakPolarHBondContact O-CD 3.3Å; E189-M223 WeakPolarHBondContact O-CE 3.16Å; E189-K229 WeakPolarHBondContact OE1-CE 3.36Å; E189-S232 WeakPolarHBondContact OE2-CB 3.36Å; E189-S232 PolarHBondContact OE2-OG 3.19Å; E189-R559 WeakPolarHBondContact OE1-CD 3.39Å; E189-R559 IonicContact OE1-NE 3.42Å; E189-I561 HydrophobicContact CB-CD1 4.34Å
190Y96.2Very high95.2Very high42 Ų4223.9 Ų23.917%0.16513%0.129CC..  trans-121.975168.6-178.6-103.8000108Q210 L213 D214 K217 R509Y190-Q210 PolarHBondContact OH-NE2 3.03Å; Y190-L213 HydrophobicContact CD2-CB 4.12Å; Y190-L213 HydrophobicContact CE2-CB 3.97Å; Y190-D214 WeakPolarHBondContact CE2-OD1 3.29Å; Y190-D214 PolarHBondContact OH-OD1 2.7Å; Y190-K217 HydrophobicContact CD2-CB 3.85Å; Y190-K217 HydrophobicContact CD2-CD 4.45Å; Y190-K217 HydrophobicContact CD2-CG 4.13Å; Y190-K217 HydrophobicContact CE2-CB 3.87Å; Y190-K217 HydrophobicContact CE2-CG 4.15Å; Y190-K217 HydrophobicContact CG-CD 4.41Å; Y190-K217 HydrophobicContact CG-CG 4.47Å; Y190-R509 VanDerWaalsContact CE1-NH1 3.32Å; Y190-R509 PolarHBondContact OH-NH1 3.1Å
191P96.5Very high95.1Very high2 Ų226.2 Ų26.21%0.01314%0.138CC..PPolyproline II helixtrans-75.3154.9-168.131.5-36.9000112.5E189 V193 L213 S232 L234 I561E189-P191 VanDerWaalsContact C-CD 3.47Å; E189-P191 WeakPolarHBondContact O-CD 3.3Å; P191-V193 PolarHBondContact O-N 3.05Å; P191-L213 HydrophobicContact CG-CD1 4.39Å; P191-S232 WeakPolarHBondContact CA-O 3.05Å; P191-L234 HydrophobicContact CB-CB 3.87Å; P191-L234 HydrophobicContact CG-CB 3.56Å; P191-L234 HydrophobicContact CG-CD1 4.27Å; P191-I561 HydrophobicContact CG-CD1 4.37Å
192S96.8Very high95.2Very high21 Ų2126.2 Ų26.215%0.14714%0.138CC..EExtended strand (participates in β ladder)trans-72.4117.1169.3-62.70000110.1S232 Q233 L234S192-S232 PolarHBondContact N-O 3.06Å; S192-Q233 WeakPolarHBondContact O-CA 3.21Å; S192-L234 PolarHBondContact O-N 3.41Å
193V98.2Very high95.3Very high4 Ų428.9 Ų28.92%0.02415%0.151CC..EExtended strand (participates in β ladder)trans-78.6126.4-175.3-176.60000111.4P191 A206 V209 L213 L234 I236 F505 L506P191-V193 PolarHBondContact O-N 3.05Å; V193-A206 HydrophobicContact CG1-CB 3.95Å; V193-V209 HydrophobicContact CG2-CG1 4.5Å; V193-L213 HydrophobicContact CG2-CD1 3.94Å; V193-L234 CarbonylContact C-O 3.59Å; V193-L234 WeakPolarHBondContact CA-O 3.33Å; V193-L234 HydrophobicContact CG1-CD2 4.02Å; V193-L234 HydrophobicContact CG2-CD2 4.32Å; V193-I236 HydrophobicContact CG1-CD1 4.26Å; V193-F505 WeakPolarHBondContact O-CA 3.43Å; V193-L506 HydrophobicContact CB-CB 4.44Å; V193-L506 PolarHBondContact O-N 2.97Å
194R98Very high95.4Very high5 Ų532.4 Ų32.42%0.01917%0.17CC..EExtended strand (participates in β ladder)trans-121.5156.5171.3-62.2-178.581.9165.62.1110.1L234 L235 I236 L498 F503 P504 F505R194-L234 PolarHBondContact N-O 3.3Å; R194-L235 HydrophobicContact CB-CD1 3.8Å; R194-L235 WeakPolarHBondContact O-CA 3.5Å; R194-I236 PolarHBondContact O-N 3.08Å; R194-L498 PolarHBondContact NH2-O 2.96Å; R194-L498 VanDerWaalsContact NH2-O 3.11Å; R194-F503 VanDerWaalsContact CZ-O 3.25Å; R194-F503 PolarHBondContact NE-O 3.35Å; R194-F503 PolarHBondContact NH2-O 3.46Å; R194-P504 VanDerWaalsContact CA-O 3.27Å; R194-P504 WeakPolarHBondContact CA-O 3.43Å; R194-F505 VanDerWaalsContact CD-CE1 3.46Å; R194-F505 VanDerWaalsContact CD-CZ 3.47Å; R194-F505 HydrophobicContact CG-CD1 3.27Å; R194-F505 HydrophobicContact CG-CD2 4.22Å; R194-F505 HydrophobicContact CG-CE1 3.33Å; R194-F505 HydrophobicContact CG-CE2 4.26Å; R194-F505 HydrophobicContact CG-CG 3.76Å; R194-F505 HydrophobicContact CG-CZ 3.85Å
195Y98.2Very high95.6Very high31 Ų3132.5 Ų32.512%0.12217%0.171CC..EExtended strand (participates in β ladder)trans-145.9153.7176.363.9-84.5000110.6S197 N202 I203 A206 I236 F503 P504 L506Y195-S197 PolarHBondContact O-N 3.44Å; Y195-N202 HydrophobicContact CD2-CB 4.26Å; Y195-I203 HydrophobicContact CD2-CB 4.25Å; Y195-I203 HydrophobicContact CE1-CG1 4.07Å; Y195-I203 HydrophobicContact CE2-CB 3.84Å; Y195-I203 HydrophobicContact CE2-CD1 4.31Å; Y195-I203 HydrophobicContact CE2-CG1 3.95Å; Y195-I203 WeakPolarHBondContact OH-CD1 3.41Å; Y195-A206 HydrophobicContact CD1-CB 3.97Å; Y195-A206 HydrophobicContact CG-CB 4.24Å; Y195-I236 CarbonylContact C-O 3.44Å; Y195-I236 WeakPolarHBondContact CA-O 3.4Å; Y195-F503 VanDerWaalsContact O-CA 3.31Å; Y195-F503 WeakPolarHBondContact O-CA 3.47Å; Y195-P504 HydrophobicContact CD1-CG 4.49Å; Y195-P504 HydrophobicContact CE1-CG 3.87Å; Y195-P504 HydrophobicContact CE2-CG 3.94Å; Y195-P504 PolarHBondContact N-O 2.91Å; Y195-P504 WeakPolarHBondContact O-CD 3.3Å; Y195-L506 HydrophobicContact CD1-CD1 4.26Å; Y195-L506 HydrophobicContact CE1-CD1 3.9Å
196R97.4Very high95.8Very high11 Ų1131.2 Ų31.24%0.04216%0.16CC..  trans-74.2114.7168.7177.3175.6154.7127.4-1.8109.8D198 N202 I236 L237 D238 F241 H502 F503R196-D198 VanDerWaalsContact C-N 3.31Å; R196-D198 HydrophobicContact CG-CB 4.21Å; R196-D198 PolarHBondContact O-N 3.24Å; R196-N202 WeakPolarHBondContact O-CB 3.35Å; R196-N202 PolarHBondContact O-ND2 2.95Å; R196-I236 PolarHBondContact N-O 3.28Å; R196-L237 HydrophobicContact CB-CD2 3.97Å; R196-D238 VanDerWaalsContact CD-OD1 3.29Å; R196-D238 WeakPolarHBondContact CD-OD1 3.45Å; R196-D238 IonicContact NE-OD1 3.16Å; R196-D238 PolarHBondContact NE-OD1 3.35Å; R196-F241 VanDerWaalsContact CZ-CA 3.45Å; R196-F241 VanDerWaalsContact NH1-CB 3.34Å; R196-H502 CarbonylContact C-O 3.47Å; R196-H502 VanDerWaalsContact CA-O 3.27Å; R196-H502 WeakPolarHBondContact CA-O 3.23Å; R196-F503 HydrophobicContact CB-CD1 4Å; R196-F503 HydrophobicContact CB-CE1 3.79Å; R196-F503 HydrophobicContact CG-CE1 4.01Å
197S96Very high96.2Very high45 Ų4534.8 Ų34.832%0.31518%0.176SC..THydrogen-bonded Turntrans-75.1-16.7-175.1600000114.1Y195 F199 R501 H502Y195-S197 PolarHBondContact O-N 3.44Å; S197-F199 PolarHBondContact O-N 3.43Å; S197-R501 PolarHBondContact OG-O 2.98Å; S197-H502 PolarHBondContact N-O 2.84Å; S197-H502 WeakPolarHBondContact OG-CA 3.39Å; S197-H502 PolarHBondContact OG-O 3.22Å
198D94.4Very high96.6Very high69 Ų6935.2 Ų35.237%0.36918%0.178SC..THydrogen-bonded Turntrans-68.9-13.2-179.4-59.9-83.6000114R196 H502R196-D198 VanDerWaalsContact C-N 3.31Å; R196-D198 HydrophobicContact CG-CB 4.21Å; R196-D198 PolarHBondContact O-N 3.24Å; D198-H502 VanDerWaalsContact CG-ND1 3.33Å; D198-H502 IonicContact OD1-CE1 3.69Å; D198-H502 PolarHBondContact OD1-CE1 3.4Å; D198-H502 IonicContact OD1-ND1 3.98Å; D198-H502 PolarHBondContact OD1-ND1 2.84Å; D198-H502 IonicContact OD2-CE1 2.73Å; D198-H502 IonicContact OD2-CG 2.74Å; D198-H502 IonicContact OD2-ND1 2.7Å; D198-H502 PolarHBondContact OD2-ND1 3.3Å
199F95.1Very high96.9Very high27 Ų2734.3 Ų34.312%0.11817%0.169CC..SBendtrans-122.7112.3174.9-163.7-91.9000110.3F160 Y161 S197 R201 N202 D238F160-F199 AromaticContact CD1-CE1 3.95Å; F160-F199 HydrophobicContact CD1-CE1 3.95Å; F160-F199 AromaticContact CE1-CD1 3.81Å; F160-F199 HydrophobicContact CE1-CD1 3.81Å; F160-F199 AromaticContact CE1-CE1 3.31Å; F160-F199 HydrophobicContact CE1-CE1 3.31Å; F160-F199 HydrophobicContact CE1-CZ 4.25Å; F160-F199 HydrophobicContact CZ-CD1 4.27Å; F160-F199 HydrophobicContact CZ-CE1 4Å; Y161-F199 HydrophobicContact CD1-CE2 4.28Å; Y161-F199 AromaticContact CD1-CZ 3.75Å; Y161-F199 HydrophobicContact CD1-CZ 3.75Å; Y161-F199 HydrophobicContact CE1-CE1 4.06Å; Y161-F199 HydrophobicContact CE1-CE2 4.04Å; Y161-F199 AromaticContact CE1-CZ 3.6Å; Y161-F199 HydrophobicContact CE1-CZ 3.6Å; S197-F199 PolarHBondContact O-N 3.43Å; F199-R201 VanDerWaalsContact C-N 3.34Å; F199-R201 HydrophobicContact CD1-CB 4.12Å; F199-R201 HydrophobicContact CE1-CB 3.9Å; F199-R201 HydrophobicContact CE1-CG 4.11Å; F199-R201 PolarHBondContact O-N 3.41Å; F199-N202 WeakPolarHBondContact O-CB 3.37Å; F199-N202 PolarHBondContact O-N 3.34Å; F199-D238 HydrophobicContact CB-CB 3.88Å; F199-D238 VanDerWaalsContact CB-OD1 3.28Å; F199-D238 WeakPolarHBondContact CB-OD1 3.47Å; F199-D238 HydrophobicContact CD1-CB 3.84Å; F199-D238 HydrophobicContact CD2-CB 4.35Å; F199-D238 HydrophobicContact CE1-CB 4.5Å; F199-D238 HydrophobicContact CG-CB 3.76Å
200E94.1Very high97Very high166 Ų16635.2 Ų35.278%0.77617%0.173SC*.THydrogen-bonded Turntrans-52.9-45.4-165.8-173.3175.2-172.600113.2N202 I203E200-N202 PolarHBondContact O-N 2.91Å; E200-I203 WeakPolarHBondContact O-CG2 3.42Å; E200-I203 PolarHBondContact O-N 3.21Å
201R95.9Very high97.1Very high50 Ų5038.7 Ų38.719%0.18919%0.191CC..Hα-helixtrans-63.7-17.6-176.5-62.4179.9178.2-156.2-16.6114.3L159 F160 Q166 L169 F199 I203 D204 L205L159-R201 PolarHBondContact O-NH1 3.22Å; L159-R201 VanDerWaalsContact O-NH1 3.12Å; F160-R201 HydrophobicContact CE1-CB 4.12Å; F160-R201 HydrophobicContact CE2-CB 3.66Å; F160-R201 HydrophobicContact CZ-CB 3.42Å; F160-R201 VanDerWaalsContact CZ-CB 3.42Å; F160-R201 HydrophobicContact CZ-CG 4.5Å; F160-R201 PolarHBondContact O-NH1 2.92Å; Q166-R201 VanDerWaalsContact NE2-NH2 3.17Å; L169-R201 VanDerWaalsContact CD2-CZ 3.49Å; L169-R201 VanDerWaalsContact CD2-NH1 3.28Å; F199-R201 VanDerWaalsContact C-N 3.34Å; F199-R201 HydrophobicContact CD1-CB 4.12Å; F199-R201 HydrophobicContact CE1-CB 3.9Å; F199-R201 HydrophobicContact CE1-CG 4.11Å; F199-R201 PolarHBondContact O-N 3.41Å; R201-I203 PolarHBondContact O-N 3.49Å; R201-D204 PolarHBondContact O-N 3.2Å; R201-L205 PolarHBondContact O-N 3.43Å
202N97.9Very high97.1Very high0 Ų041.6 Ų41.60%020%0.203CC..Hα-helixtrans-64.8-30.2178.2-69.7-18.5000111.9Y195 R196 F199 E200 A206 I236 D238Y195-N202 HydrophobicContact CD2-CB 4.26Å; R196-N202 WeakPolarHBondContact O-CB 3.35Å; R196-N202 PolarHBondContact O-ND2 2.95Å; F199-N202 WeakPolarHBondContact O-CB 3.37Å; F199-N202 PolarHBondContact O-N 3.34Å; E200-N202 PolarHBondContact O-N 2.91Å; N202-A206 VanDerWaalsContact O-CB 3.3Å; N202-A206 WeakPolarHBondContact O-CB 3.37Å; N202-A206 PolarHBondContact O-N 3.31Å; N202-I236 HydrophobicContact CB-CG2 4.4Å; N202-D238 PolarHBondContact ND2-N 3.37Å; N202-D238 PolarHBondContact ND2-OD1 2.98Å
203I97.5Very high97.1Very high55 Ų5540.6 Ų40.628%0.28220%0.196SC..Hα-helixtrans-69.9-38.8178.1-161.3176.1000111.7Y195 E200 R201 A206 H207 L506Y195-I203 HydrophobicContact CD2-CB 4.25Å; Y195-I203 HydrophobicContact CE1-CG1 4.07Å; Y195-I203 HydrophobicContact CE2-CB 3.84Å; Y195-I203 HydrophobicContact CE2-CD1 4.31Å; Y195-I203 HydrophobicContact CE2-CG1 3.95Å; Y195-I203 WeakPolarHBondContact OH-CD1 3.41Å; E200-I203 WeakPolarHBondContact O-CG2 3.42Å; E200-I203 PolarHBondContact O-N 3.21Å; R201-I203 PolarHBondContact O-N 3.49Å; I203-A206 WeakPolarHBondContact O-CB 3.09Å; I203-A206 PolarHBondContact O-N 3.24Å; I203-H207 PolarHBondContact O-CD2 2.85Å; I203-H207 PolarHBondContact O-N 2.83Å; I203-L506 HydrophobicContact CG1-CD1 4.12Å
204D97.1Very high97Very high77 Ų7743.8 Ų43.841%0.41221%0.213SC..Hα-helixtrans-64.4-46.9178.5-62.1-33.8000110M173 R201 A206 H207 L208M173-D204 HydrophobicContact CE-CB 4.45Å; R201-D204 PolarHBondContact O-N 3.2Å; D204-A206 VanDerWaalsContact C-N 3.34Å; D204-A206 PolarHBondContact O-N 2.94Å; D204-H207 PolarHBondContact O-N 3.41Å; D204-L208 WeakPolarHBondContact O-CG 3.29Å; D204-L208 PolarHBondContact O-N 2.88Å
205L98.2Very high96.9Very high2 Ų246.1 Ų46.11%0.0123%0.234CC..Hα-helixtrans-62.4-40.8175.1-177.859.7000111.8I176 A177 R201 H207 L208 V209 I236 F563 V565I176-L205 HydrophobicContact CB-CD1 4.42Å; I176-L205 HydrophobicContact CG2-CD1 4.03Å; I176-L205 HydrophobicContact CG2-CD2 4.32Å; A177-L205 HydrophobicContact CB-CD1 4.16Å; R201-L205 PolarHBondContact O-N 3.43Å; L205-H207 PolarHBondContact O-N 3.35Å; L205-L208 PolarHBondContact O-N 2.78Å; L205-V209 HydrophobicContact CD1-CG2 4.25Å; L205-V209 HydrophobicContact CG-CG2 4.39Å; L205-V209 VanDerWaalsContact O-CG2 3.31Å; L205-V209 WeakPolarHBondContact O-CG2 3.46Å; L205-V209 PolarHBondContact O-N 2.78Å; L205-I236 HydrophobicContact CD2-CG2 3.96Å; L205-I236 HydrophobicContact CG-CD1 4.3Å; L205-F563 HydrophobicContact CD2-CD1 4.32Å; L205-F563 HydrophobicContact CD2-CE1 4.17Å; L205-V565 HydrophobicContact CD2-CG2 3.55Å
206A98.3Very high96.7Very high0 Ų045.9 Ų45.90%023%0.233CC..Hα-helixtrans-60-43.3175.800000112.4V193 Y195 N202 I203 D204 V209 Q210 I236 L506V193-A206 HydrophobicContact CG1-CB 3.95Å; Y195-A206 HydrophobicContact CD1-CB 3.97Å; Y195-A206 HydrophobicContact CG-CB 4.24Å; N202-A206 VanDerWaalsContact O-CB 3.3Å; N202-A206 WeakPolarHBondContact O-CB 3.37Å; N202-A206 PolarHBondContact O-N 3.31Å; I203-A206 WeakPolarHBondContact O-CB 3.09Å; I203-A206 PolarHBondContact O-N 3.24Å; D204-A206 VanDerWaalsContact C-N 3.34Å; D204-A206 PolarHBondContact O-N 2.94Å; A206-V209 PolarHBondContact O-N 2.62Å; A206-Q210 WeakPolarHBondContact O-CB 3.36Å; A206-Q210 PolarHBondContact O-N 3.16Å; A206-I236 HydrophobicContact CB-CD1 3.87Å; A206-L506 HydrophobicContact CB-CD1 3.86Å; A206-L506 HydrophobicContact CB-CD2 4.16Å; A206-L506 HydrophobicContact CB-CG 4.49Å; A206-L506 VanDerWaalsContact O-CD2 3.31Å; A206-L506 WeakPolarHBondContact O-CD2 3.31Å
207H97.9Very high96.6Very high86 Ų8648 Ų4840%0.39824%0.242SC..Hα-helixtrans-62.1-44.6174.4-83.2-61.4000112.7I203 D204 L205 Q210 Q211I203-H207 PolarHBondContact O-CD2 2.85Å; I203-H207 PolarHBondContact O-N 2.83Å; D204-H207 PolarHBondContact O-N 3.41Å; L205-H207 PolarHBondContact O-N 3.35Å; H207-Q210 PolarHBondContact O-N 3.44Å; H207-Q211 VanDerWaalsContact O-CG 3.31Å; H207-Q211 WeakPolarHBondContact O-CG 3.2Å; H207-Q211 PolarHBondContact O-N 3.06Å
208L97.9Very high96.6Very high25 Ų2549.3 Ų49.313%0.13126%0.256CS..Hα-helixtrans-61.5-47.1176.4-68.5171.1000111.1M173 E174 A177 D204 L205 Q210 Q211 K212M173-L208 HydrophobicContact CB-CD1 3.67Å; E174-L208 HydrophobicContact CG-CD1 4.22Å; E174-L208 HydrophobicContact CG-CD2 3.94Å; A177-L208 HydrophobicContact CB-CB 3.54Å; D204-L208 WeakPolarHBondContact O-CG 3.29Å; D204-L208 PolarHBondContact O-N 2.88Å; L205-L208 PolarHBondContact O-N 2.78Å; L208-Q210 VanDerWaalsContact C-N 3.34Å; L208-Q210 PolarHBondContact O-N 2.69Å; L208-Q211 PolarHBondContact O-N 2.61Å; L208-K212 WeakPolarHBondContact O-CG 3.46Å; L208-K212 PolarHBondContact O-N 2.98Å; L208-K212 VanDerWaalsContact O-N 3.07Å
209V98.2Very high96.5Very high0 Ų052.7 Ų52.70%027%0.274CS..Hα-helixtrans-58.3-45.9176.8170.70000111A177 I180 V193 L205 A206 Q211 K212 L213 L234 I236A177-V209 HydrophobicContact CB-CG2 3.84Å; I180-V209 HydrophobicContact CB-CG2 4.25Å; I180-V209 HydrophobicContact CD1-CG2 3.87Å; I180-V209 HydrophobicContact CG2-CG1 4Å; I180-V209 HydrophobicContact CG2-CG2 4.17Å; V193-V209 HydrophobicContact CG2-CG1 4.5Å; L205-V209 HydrophobicContact CD1-CG2 4.25Å; L205-V209 HydrophobicContact CG-CG2 4.39Å; L205-V209 VanDerWaalsContact O-CG2 3.31Å; L205-V209 WeakPolarHBondContact O-CG2 3.46Å; L205-V209 PolarHBondContact O-N 2.78Å; A206-V209 PolarHBondContact O-N 2.62Å; V209-Q211 PolarHBondContact O-N 3.25Å; V209-K212 PolarHBondContact O-N 2.81Å; V209-L213 HydrophobicContact CG1-CD1 3.85Å; V209-L213 HydrophobicContact CG1-CG 4.22Å; V209-L213 VanDerWaalsContact O-CG 3.31Å; V209-L213 WeakPolarHBondContact O-CG 3.32Å; V209-L213 PolarHBondContact O-N 3.12Å; V209-L234 HydrophobicContact CG1-CD2 4.03Å; V209-I236 HydrophobicContact CB-CD1 4.48Å; V209-I236 HydrophobicContact CG2-CD1 4.16Å
210Q97.9Very high96.4Very high22 Ų2256 Ų5610%0.10329%0.29CS..Hα-helixtrans-60.4-43.5178.6-176.164.668.700112Y190 A206 H207 L208 K212 L213 D214 L506Y190-Q210 PolarHBondContact OH-NE2 3.03Å; A206-Q210 WeakPolarHBondContact O-CB 3.36Å; A206-Q210 PolarHBondContact O-N 3.16Å; H207-Q210 PolarHBondContact O-N 3.44Å; L208-Q210 VanDerWaalsContact C-N 3.34Å; L208-Q210 PolarHBondContact O-N 2.69Å; Q210-K212 VanDerWaalsContact C-N 3.33Å; Q210-K212 PolarHBondContact O-N 2.74Å; Q210-L213 PolarHBondContact O-N 2.97Å; Q210-D214 PolarHBondContact NE2-OD1 3.03Å; Q210-D214 WeakPolarHBondContact O-CB 3.38Å; Q210-D214 PolarHBondContact O-N 3.45Å; Q210-L506 HydrophobicContact CB-CD2 3.61Å; Q210-L506 HydrophobicContact CG-CD2 4.11Å
211Q97.1Very high96.4Very high115 Ų11551.8 Ų51.854%0.53728%0.277SS..Hα-helixtrans-60.6-42.1177.1-71.2170.41800111.9H207 L208 V209 D214 A215H207-Q211 VanDerWaalsContact O-CG 3.31Å; H207-Q211 WeakPolarHBondContact O-CG 3.2Å; H207-Q211 PolarHBondContact O-N 3.06Å; L208-Q211 PolarHBondContact O-N 2.61Å; V209-Q211 PolarHBondContact O-N 3.25Å; Q211-D214 PolarHBondContact O-N 3.33Å; Q211-A215 PolarHBondContact O-N 2.74Å; Q211-A215 VanDerWaalsContact O-N 3.17Å
212K96.6Very high96.2Very high62 Ų6253.2 Ų53.227%0.2729%0.291SS..Hα-helixtrans-66.9-43.8176.8-60.6-45.3-169139.40112A177 E178 A181 L208 V209 Q210 D214 A215 Y216A177-K212 HydrophobicContact CB-CG 4.27Å; E178-K212 WeakPolarHBondContact OE2-CD 3.14Å; E178-K212 WeakPolarHBondContact OE2-CE 3.49Å; E178-K212 IonicContact OE2-NZ 3.63Å; E178-K212 PolarHBondContact OE2-NZ 3.18Å; A181-K212 HydrophobicContact CB-CB 3.54Å; L208-K212 WeakPolarHBondContact O-CG 3.46Å; L208-K212 PolarHBondContact O-N 2.98Å; L208-K212 VanDerWaalsContact O-N 3.07Å; V209-K212 PolarHBondContact O-N 2.81Å; Q210-K212 VanDerWaalsContact C-N 3.33Å; Q210-K212 PolarHBondContact O-N 2.74Å; K212-D214 VanDerWaalsContact C-N 3.29Å; K212-D214 PolarHBondContact O-N 2.59Å; K212-A215 WeakPolarHBondContact O-CB 3.43Å; K212-A215 PolarHBondContact O-N 2.93Å; K212-Y216 VanDerWaalsContact O-CD2 3.28Å; K212-Y216 WeakPolarHBondContact O-CD2 3.42Å; K212-Y216 PolarHBondContact O-N 2.66Å
213L96.9Very high96Very high0 Ų053.4 Ų53.40%029%0.292CS..Hα-helixtrans-60.2-38.9175-70.2174.7000112.3A181 C184 Y190 P191 V193 V209 Q210 A215 Y216 K217 M223A181-L213 HydrophobicContact CB-CD2 4.12Å; A181-L213 HydrophobicContact CB-CG 4.45Å; C184-L213 HydrophobicContact CB-CD2 3.45Å; C184-L213 VanDerWaalsContact CB-CD2 3.45Å; Y190-L213 HydrophobicContact CD2-CB 4.12Å; Y190-L213 HydrophobicContact CE2-CB 3.97Å; P191-L213 HydrophobicContact CG-CD1 4.39Å; V193-L213 HydrophobicContact CG2-CD1 3.94Å; V209-L213 HydrophobicContact CG1-CD1 3.85Å; V209-L213 HydrophobicContact CG1-CG 4.22Å; V209-L213 VanDerWaalsContact O-CG 3.31Å; V209-L213 WeakPolarHBondContact O-CG 3.32Å; V209-L213 PolarHBondContact O-N 3.12Å; Q210-L213 PolarHBondContact O-N 2.97Å; L213-A215 VanDerWaalsContact C-N 3.33Å; L213-Y216 PolarHBondContact O-N 2.84Å; L213-K217 VanDerWaalsContact O-CB 3.3Å; L213-K217 WeakPolarHBondContact O-CB 3.46Å; L213-K217 PolarHBondContact O-N 2.95Å; L213-M223 HydrophobicContact CD2-CE 4.07Å
214D96.9Very high95.7Very high71 Ų7151.4 Ų51.438%0.3829%0.285SS..Hα-helixtrans-64.6-38.4177.3-69.6-17.7000111.7Y190 Q210 Q211 K212 K217 A218Y190-D214 WeakPolarHBondContact CE2-OD1 3.29Å; Y190-D214 PolarHBondContact OH-OD1 2.7Å; Q210-D214 PolarHBondContact NE2-OD1 3.03Å; Q210-D214 WeakPolarHBondContact O-CB 3.38Å; Q210-D214 PolarHBondContact O-N 3.45Å; Q211-D214 PolarHBondContact O-N 3.33Å; K212-D214 VanDerWaalsContact C-N 3.29Å; K212-D214 PolarHBondContact O-N 2.59Å; D214-K217 PolarHBondContact O-N 2.94Å; D214-A218 WeakPolarHBondContact O-CB 3.1Å; D214-A218 PolarHBondContact O-N 2.99Å
215A95.9Very high95.4Very high55 Ų5553.4 Ų53.446%0.45529%0.292SS..Hα-helixtrans-63.7-49173.600000111.6Q211 K212 L213 K217 A218 D219Q211-A215 PolarHBondContact O-N 2.74Å; Q211-A215 VanDerWaalsContact O-N 3.17Å; K212-A215 WeakPolarHBondContact O-CB 3.43Å; K212-A215 PolarHBondContact O-N 2.93Å; L213-A215 VanDerWaalsContact C-N 3.33Å; A215-K217 VanDerWaalsContact C-N 3.31Å; A215-K217 PolarHBondContact O-N 3.49Å; A215-A218 WeakPolarHBondContact O-CB 3.17Å; A215-A218 PolarHBondContact O-N 3.29Å; A215-A218 VanDerWaalsContact O-N 3.14Å; A215-D219 PolarHBondContact O-N 3.37Å
216Y94.3Very high94.9Very high26 Ų2655.6 Ų55.610%0.10232%0.315CS..Hα-helixtrans-59.6-39.8175.9-83.1-70.4000112.9N138 E178 A181 T182 A185 K212 L213 A218 D219 E220N138-Y216 HydrophobicContact CB-CE1 3.75Å; N138-Y216 PolarHBondContact OD1-OH 3.33Å; E178-Y216 PolarHBondContact OE1-OH 3.19Å; A181-Y216 HydrophobicContact CB-CD2 3.76Å; A181-Y216 HydrophobicContact CB-CE2 3.71Å; T182-Y216 WeakPolarHBondContact CG2-OH 3.28Å; A185-Y216 HydrophobicContact CB-CD1 3.82Å; A185-Y216 HydrophobicContact CB-CE1 4.06Å; A185-Y216 HydrophobicContact CB-CG 4.13Å; K212-Y216 VanDerWaalsContact O-CD2 3.28Å; K212-Y216 WeakPolarHBondContact O-CD2 3.42Å; K212-Y216 PolarHBondContact O-N 2.66Å; L213-Y216 PolarHBondContact O-N 2.84Å; Y216-A218 VanDerWaalsContact C-N 3.33Å; Y216-D219 PolarHBondContact O-N 3.03Å; Y216-E220 PolarHBondContact O-N 3.45Å
217K95.2Very high94.3Very high54 Ų5459.8 Ų59.824%0.23534%0.344CS..Hα-helixtrans-69.4-30.6177.6-179.761.8177179.50112.6Y190 L213 D214 A215 E220 P221 M223Y190-K217 HydrophobicContact CD2-CB 3.85Å; Y190-K217 HydrophobicContact CD2-CD 4.45Å; Y190-K217 HydrophobicContact CD2-CG 4.13Å; Y190-K217 HydrophobicContact CE2-CB 3.87Å; Y190-K217 HydrophobicContact CE2-CG 4.15Å; Y190-K217 HydrophobicContact CG-CD 4.41Å; Y190-K217 HydrophobicContact CG-CG 4.47Å; L213-K217 VanDerWaalsContact O-CB 3.3Å; L213-K217 WeakPolarHBondContact O-CB 3.46Å; L213-K217 PolarHBondContact O-N 2.95Å; D214-K217 PolarHBondContact O-N 2.94Å; A215-K217 VanDerWaalsContact C-N 3.31Å; A215-K217 PolarHBondContact O-N 3.49Å; K217-E220 CarbonylContact O-C 3.6Å; K217-E220 VanDerWaalsContact O-C 3.31Å; K217-P221 WeakPolarHBondContact CE-O 3.33Å; K217-P221 PolarHBondContact NZ-O 3.24Å; K217-P221 WeakPolarHBondContact O-CA 3.11Å; K217-M223 HydrophobicContact CD-CB 3.93Å; K217-M223 WeakPolarHBondContact CD-O 3.43Å; K217-M223 WeakPolarHBondContact CE-O 3.23Å; K217-M223 PolarHBondContact NZ-O 3.26Å
218A96.1Very high93.9Very high74 Ų7458.9 Ų58.961%0.61234%0.34SS*.Hα-helixtrans-67.2-38.8174.600000111.4D214 A215 Y216D214-A218 WeakPolarHBondContact O-CB 3.1Å; D214-A218 PolarHBondContact O-N 2.99Å; A215-A218 WeakPolarHBondContact O-CB 3.17Å; A215-A218 PolarHBondContact O-N 3.29Å; A215-A218 VanDerWaalsContact O-N 3.14Å; Y216-A218 VanDerWaalsContact C-N 3.33Å
219D92.3Very high93.6Very high139 Ų13960.6 Ų60.674%0.74335%0.346SS*.Hα-helixtrans-78.9-34.8177.7-68.9-20.8000112.9A215 Y216 P221A215-D219 PolarHBondContact O-N 3.37Å; Y216-D219 PolarHBondContact O-N 3.03Å; D219-P221 WeakPolarHBondContact O-CD 3.46Å
220E91.4Very high93.3Very high97 Ų9763.6 Ų63.645%0.45337%0.371SS..  trans-122.785.1177.4-175.852.4-112.800111.1Y216 K217 T222 M223Y216-E220 PolarHBondContact O-N 3.45Å; K217-E220 CarbonylContact O-C 3.6Å; K217-E220 VanDerWaalsContact O-C 3.31Å; E220-T222 PolarHBondContact O-N 3.06Å; E220-T222 WeakPolarHBondContact OE1-CB 3.34Å; E220-T222 WeakPolarHBondContact OE1-CG2 3.46Å; E220-T222 PolarHBondContact OE1-N 2.91Å; E220-T222 PolarHBondContact OE1-OG1 3.15Å; E220-M223 HydrophobicContact CG-CB 4.38Å; E220-M223 VanDerWaalsContact O-CB 3.24Å; E220-M223 WeakPolarHBondContact O-CB 3.43Å; E220-M223 PolarHBondContact O-N 3.37Å
221P94.4Very high93Very high77 Ų7766 Ų6650%0.538%0.379SS..THydrogen-bonded Turntrans-60.3-16.1-179-26.735.9000114.5K217 D219 M223K217-P221 WeakPolarHBondContact CE-O 3.33Å; K217-P221 PolarHBondContact NZ-O 3.24Å; K217-P221 WeakPolarHBondContact O-CA 3.11Å; D219-P221 WeakPolarHBondContact O-CD 3.46Å; P221-M223 VanDerWaalsContact C-N 3.32Å
222T93Very high93Very high80 Ų8060.5 Ų60.549%0.49135%0.354SS..THydrogen-bonded Turntrans-81.9-8.2176.473.50000113.9E220 G224 E225E220-T222 PolarHBondContact O-N 3.06Å; E220-T222 WeakPolarHBondContact OE1-CB 3.34Å; E220-T222 WeakPolarHBondContact OE1-CG2 3.46Å; E220-T222 PolarHBondContact OE1-N 2.91Å; E220-T222 PolarHBondContact OE1-OG1 3.15Å; T222-G224 PolarHBondContact O-N 3.38Å; T222-E225 VanDerWaalsContact O-CB 3.29Å; T222-E225 WeakPolarHBondContact O-CB 3.02Å; T222-E225 WeakPolarHBondContact O-CG 3.47Å; T222-E225 PolarHBondContact O-N 2.93Å
223M93Very high93Very high5 Ų557.7 Ų57.73%0.02534%0.342CS..THydrogen-bonded Turntrans-60.8120.9-178.8-173-178-170.400111.7C184 A185 E189 L213 K217 E220 P221 E225C184-M223 HydrophobicContact CB-CE 3.96Å; A185-M223 HydrophobicContact CB-CE 3.93Å; A185-M223 VanDerWaalsContact N-CE 3.31Å; E189-M223 WeakPolarHBondContact O-CE 3.16Å; L213-M223 HydrophobicContact CD2-CE 4.07Å; K217-M223 HydrophobicContact CD-CB 3.93Å; K217-M223 WeakPolarHBondContact CD-O 3.43Å; K217-M223 WeakPolarHBondContact CE-O 3.23Å; K217-M223 PolarHBondContact NZ-O 3.26Å; E220-M223 HydrophobicContact CG-CB 4.38Å; E220-M223 VanDerWaalsContact O-CB 3.24Å; E220-M223 WeakPolarHBondContact O-CB 3.43Å; E220-M223 PolarHBondContact O-N 3.37Å; P221-M223 VanDerWaalsContact C-N 3.32Å; M223-E225 VanDerWaalsContact C-N 3.33Å
224G92.2Very high93.1Very high13 Ų1357.7 Ų57.713%0.13434%0.342CS..THydrogen-bonded Turntrans76.611-175.500000115.5G188 T222G188-G224 PolarHBondContact O-N 2.95Å; T222-G224 PolarHBondContact O-N 3.38Å
225E90Very high93.2Very high119 Ų11954.3 Ų54.356%0.55632%0.324SS*.  trans-72.1143.1173-73.7-171.3172.400112.6T222 M223 K229T222-E225 VanDerWaalsContact O-CB 3.29Å; T222-E225 WeakPolarHBondContact O-CB 3.02Å; T222-E225 WeakPolarHBondContact O-CG 3.47Å; T222-E225 PolarHBondContact O-N 2.93Å; M223-E225 VanDerWaalsContact C-N 3.33Å; E225-K229 WeakPolarHBondContact O-CD 3.45Å
226G88.2Confident93.3Very high48 Ų4851.7 Ų51.750%0.49530%0.302SS..SBendtrans113.5151.5-179.800000113.1E228 K229 A230G226-E228 PolarHBondContact O-N 3.03Å; G226-K229 PolarHBondContact O-N 3.44Å; G226-A230 WeakPolarHBondContact O-CB 3.47Å; G226-A230 PolarHBondContact O-N 3.13Å
227S86Confident93.5Very high87 Ų8750.5 Ų50.561%0.60830%0.297SS*.THydrogen-bonded Turntrans-59.5-34.6-176.156.50000113.4
228E89.1Confident93.6Very high67 Ų6748 Ų4831%0.31329%0.287SS..THydrogen-bonded Turntrans-77.2-47.3-179.9-57-46.2126.900111.2G226 A230 R231 S556 P558G226-E228 PolarHBondContact O-N 3.03Å; E228-A230 VanDerWaalsContact C-N 3.29Å; E228-A230 PolarHBondContact O-N 2.64Å; E228-R231 PolarHBondContact O-N 2.95Å; E228-R231 VanDerWaalsContact O-N 3.1Å; E228-R231 IonicContact OE2-NH1 3.8Å; E228-R231 PolarHBondContact OE2-NH1 3.43Å; E228-S556 WeakPolarHBondContact CB-O 3.23Å; E228-S556 VanDerWaalsContact CG-O 3.31Å; E228-S556 WeakPolarHBondContact CG-O 3.23Å; E228-P558 WeakPolarHBondContact O-CA 3.18Å; E228-P558 WeakPolarHBondContact O-CB 3.25Å; E228-P558 WeakPolarHBondContact OE2-CD 3.46Å
229K91.7Very high93.7Very high61 Ų6144.5 Ų44.527%0.26526%0.258SS..G310 helixtrans-64.2-31.9179.4-63.9-162.8164.3-168.50113.4L187 G188 E189 E225 G226 R231 S232L187-K229 PolarHBondContact O-NZ 3Å; G188-K229 WeakPolarHBondContact O-CD 2.95Å; G188-K229 PolarHBondContact O-NZ 2.78Å; E189-K229 WeakPolarHBondContact OE1-CE 3.36Å; E225-K229 WeakPolarHBondContact O-CD 3.45Å; G226-K229 PolarHBondContact O-N 3.44Å; K229-R231 PolarHBondContact O-N 2.88Å; K229-R231 VanDerWaalsContact O-N 3.1Å; K229-S232 VanDerWaalsContact O-CB 3.31Å; K229-S232 WeakPolarHBondContact O-CB 3.41Å; K229-S232 PolarHBondContact O-N 2.77Å; K229-S232 PolarHBondContact O-OG 3.25Å
230A90.5Very high93.9Very high63 Ų6338 Ų3852%0.52122%0.224SC..G310 helixtrans-62.1-17175.800000113.9G226 E228G226-A230 WeakPolarHBondContact O-CB 3.47Å; G226-A230 PolarHBondContact O-N 3.13Å; E228-A230 VanDerWaalsContact C-N 3.29Å; E228-A230 PolarHBondContact O-N 2.64Å
231R93.1Very high94.2Very high72 Ų7233.9 Ų33.927%0.27221%0.205SC..G310 helixtrans-97.4-6.2177.9-62.6167.959.4-149.2-2.8112.9E228 K229 V511 P558 W586E228-R231 PolarHBondContact O-N 2.95Å; E228-R231 VanDerWaalsContact O-N 3.1Å; E228-R231 IonicContact OE2-NH1 3.8Å; E228-R231 PolarHBondContact OE2-NH1 3.43Å; K229-R231 PolarHBondContact O-N 2.88Å; K229-R231 VanDerWaalsContact O-N 3.1Å; R231-V511 HydrophobicContact CB-CG1 4.26Å; R231-V511 HydrophobicContact CG-CG1 3.98Å; R231-P558 HydrophobicContact CB-CB 3.98Å; R231-W586 HydrophobicContact CB-CH2 4.37Å; R231-W586 WeakPolarHBondContact O-CH2 3.33Å
232S95.8Very high94.3Very high1 Ų130.6 Ų30.61%0.00718%0.183CC..  trans-62143.2-177.9-63.60000111.5E189 P191 S192 K229 R559E189-S232 WeakPolarHBondContact OE2-CB 3.36Å; E189-S232 PolarHBondContact OE2-OG 3.19Å; P191-S232 WeakPolarHBondContact CA-O 3.05Å; S192-S232 PolarHBondContact N-O 3.06Å; K229-S232 VanDerWaalsContact O-CB 3.31Å; K229-S232 WeakPolarHBondContact O-CB 3.41Å; K229-S232 PolarHBondContact O-N 2.77Å; K229-S232 PolarHBondContact O-OG 3.25Å; S232-R559 CarbonylContact C-O 3.58Å; S232-R559 WeakPolarHBondContact CA-O 3.4Å; S232-R559 VanDerWaalsContact CB-O 3.32Å; S232-R559 WeakPolarHBondContact CB-O 3.48Å; S232-R559 PolarHBondContact OG-N 3.43Å
233Q97.4Very high94.5Very high2 Ų227 Ų271%0.00916%0.161CC..EExtended strand (participates in β ladder)trans-125.5146.3-179.1-66.7179.157.200109.6S192 A493 F505 R559 L560 I561S192-Q233 WeakPolarHBondContact O-CA 3.21Å; Q233-A493 PolarHBondContact NE2-O 3Å; Q233-F505 HydrophobicContact CG-CE1 4.28Å; Q233-R559 PolarHBondContact N-O 2.8Å; Q233-L560 HydrophobicContact CB-CD1 3.76Å; Q233-I561 PolarHBondContact O-N 2.7Å
234L98.4Very high94.7Very high0 Ų027.5 Ų27.50%016%0.163CC..EExtended strand (participates in β ladder)trans-119.1119.3170.4179.3135.8000108.6I180 P191 S192 V193 R194 V209 I236 I561I180-L234 HydrophobicContact CG2-CD1 3.6Å; P191-L234 HydrophobicContact CB-CB 3.87Å; P191-L234 HydrophobicContact CG-CB 3.56Å; P191-L234 HydrophobicContact CG-CD1 4.27Å; S192-L234 PolarHBondContact O-N 3.41Å; V193-L234 CarbonylContact C-O 3.59Å; V193-L234 WeakPolarHBondContact CA-O 3.33Å; V193-L234 HydrophobicContact CG1-CD2 4.02Å; V193-L234 HydrophobicContact CG2-CD2 4.32Å; R194-L234 PolarHBondContact N-O 3.3Å; V209-L234 HydrophobicContact CG1-CD2 4.03Å; L234-I236 HydrophobicContact CD2-CD1 3.98Å; L234-I236 HydrophobicContact CD2-CG1 3.73Å; L234-I561 CarbonylContact C-O 3.59Å; L234-I561 VanDerWaalsContact CA-O 3.25Å; L234-I561 WeakPolarHBondContact CA-O 3.28Å; L234-I561 HydrophobicContact CB-CB 4.43Å; L234-I561 HydrophobicContact CD1-CB 4.2Å; L234-I561 HydrophobicContact CD1-CG2 3.89Å; L234-I561 HydrophobicContact CG-CB 4.43Å; L234-I561 HydrophobicContact CG-CG2 4.44Å
235L98.6Very high94.9Very high1 Ų127.1 Ų27.11%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-111.3118.6-176.1179.663.3000110.8R194 L237 I489 L498 F503 I561 V562 F563R194-L235 HydrophobicContact CB-CD1 3.8Å; R194-L235 WeakPolarHBondContact O-CA 3.5Å; L235-L237 HydrophobicContact CD1-CD2 4.24Å; L235-L237 HydrophobicContact CD2-CD1 4.35Å; L235-L237 HydrophobicContact CD2-CD2 4.11Å; L235-L237 HydrophobicContact CD2-CG 4.33Å; L235-L237 HydrophobicContact CG-CD2 4Å; L235-L237 HydrophobicContact CG-CG 4.13Å; L235-I489 HydrophobicContact CD2-CG2 3.46Å; L235-I489 VanDerWaalsContact CD2-CG2 3.46Å; L235-L498 HydrophobicContact CD2-CD2 4.42Å; L235-F503 HydrophobicContact CD1-CD1 3.97Å; L235-I561 PolarHBondContact N-O 3.28Å; L235-V562 WeakPolarHBondContact O-CA 3.26Å; L235-F563 PolarHBondContact O-N 2.73Å
236I98.7Very high95.3Very high0 Ų021.6 Ų21.60%013%0.133CC..EExtended strand (participates in β ladder)trans-97126.8176.2-61.2171.6000109.9V193 R194 Y195 R196 N202 L205 A206 V209 L234V193-I236 HydrophobicContact CG1-CD1 4.26Å; R194-I236 PolarHBondContact O-N 3.08Å; Y195-I236 CarbonylContact C-O 3.44Å; Y195-I236 WeakPolarHBondContact CA-O 3.4Å; R196-I236 PolarHBondContact N-O 3.28Å; N202-I236 HydrophobicContact CB-CG2 4.4Å; L205-I236 HydrophobicContact CD2-CG2 3.96Å; L205-I236 HydrophobicContact CG-CD1 4.3Å; A206-I236 HydrophobicContact CB-CD1 3.87Å; V209-I236 HydrophobicContact CB-CD1 4.48Å; V209-I236 HydrophobicContact CG2-CD1 4.16Å; L234-I236 HydrophobicContact CD2-CD1 3.98Å; L234-I236 HydrophobicContact CD2-CG1 3.73Å
237L98.6Very high95.8Very high0 Ų019.3 Ų19.30%011%0.109CC..EExtended strand (participates in β ladder)trans-125.9142.5179.6-58.5175.9000110.2R196 L235 F241 L486 F503 V562 F563 I564 V565R196-L237 HydrophobicContact CB-CD2 3.97Å; L235-L237 HydrophobicContact CD1-CD2 4.24Å; L235-L237 HydrophobicContact CD2-CD1 4.35Å; L235-L237 HydrophobicContact CD2-CD2 4.11Å; L235-L237 HydrophobicContact CD2-CG 4.33Å; L235-L237 HydrophobicContact CG-CD2 4Å; L235-L237 HydrophobicContact CG-CG 4.13Å; L237-F241 HydrophobicContact CB-CD1 4.17Å; L237-F241 HydrophobicContact CB-CE1 4.46Å; L237-F241 HydrophobicContact CB-CG 4.4Å; L237-F241 HydrophobicContact CD1-CD1 4.43Å; L237-F241 HydrophobicContact CD1-CD2 4.19Å; L237-F241 HydrophobicContact CD1-CE1 4.23Å; L237-F241 HydrophobicContact CD1-CE2 4.03Å; L237-F241 HydrophobicContact CD1-CG 4.37Å; L237-F241 HydrophobicContact CD1-CZ 4.02Å; L237-L486 HydrophobicContact CD1-CD1 3.99Å; L237-F503 HydrophobicContact CD2-CD1 4.28Å; L237-F503 HydrophobicContact CD2-CE1 3.71Å; L237-V562 HydrophobicContact CD1-CG1 3.9Å; L237-F563 PolarHBondContact N-O 3.21Å; L237-I564 HydrophobicContact CB-CG1 4.21Å; L237-I564 HydrophobicContact CD1-CG1 4.22Å; L237-I564 CarbonylContact O-C 3.58Å; L237-I564 WeakPolarHBondContact O-CA 3.3Å; L237-V565 PolarHBondContact O-N 3.19Å
238D98.1Very high96.4Very high2 Ų215.4 Ų15.41%0.0118%0.081CC..EExtended strand (participates in β ladder)trans-87.7148163.560.7-72.9000109.7Y161 R196 F199 N202 G240 F241Y161-D238 WeakPolarHBondContact OH-CA 3.47Å; R196-D238 VanDerWaalsContact CD-OD1 3.29Å; R196-D238 WeakPolarHBondContact CD-OD1 3.45Å; R196-D238 IonicContact NE-OD1 3.16Å; R196-D238 PolarHBondContact NE-OD1 3.35Å; F199-D238 HydrophobicContact CB-CB 3.88Å; F199-D238 VanDerWaalsContact CB-OD1 3.28Å; F199-D238 WeakPolarHBondContact CB-OD1 3.47Å; F199-D238 HydrophobicContact CD1-CB 3.84Å; F199-D238 HydrophobicContact CD2-CB 4.35Å; F199-D238 HydrophobicContact CE1-CB 4.5Å; F199-D238 HydrophobicContact CG-CB 3.76Å; N202-D238 PolarHBondContact ND2-N 3.37Å; N202-D238 PolarHBondContact ND2-OD1 2.98Å; D238-G240 PolarHBondContact O-N 3.22Å; D238-G240 VanDerWaalsContact OD2-CA 3.3Å; D238-G240 WeakPolarHBondContact OD2-CA 3.45Å; D238-G240 PolarHBondContact OD2-N 2.84Å; D238-F241 VanDerWaalsContact O-CB 3.32Å; D238-F241 WeakPolarHBondContact O-CB 3.27Å; D238-F241 WeakPolarHBondContact O-CD1 3.21Å; D238-F241 PolarHBondContact O-N 2.91Å; D238-F241 PolarHBondContact OD2-N 3.15Å
239R97.9Very high96.9Very high0 Ų012.5 Ų12.50%07%0.068CC..G310 helixtrans-55.9-26.3179.9-170.663.2-86.2172.9-5.7113.6Y161 F241 D242 V243 L450 V565 G566 G567 E572 F601Y161-R239 HydrophobicContact CE2-CB 4.39Å; Y161-R239 PolarHBondContact OH-N 3.29Å; R239-F241 PolarHBondContact O-N 3.41Å; R239-F241 VanDerWaalsContact O-N 3.09Å; R239-D242 PolarHBondContact NE-O 3.29Å; R239-D242 PolarHBondContact NH2-O 3.2Å; R239-D242 CarbonylContact O-C 3.55Å; R239-D242 PolarHBondContact O-N 2.89Å; R239-V243 WeakPolarHBondContact O-CG2 3.31Å; R239-L450 HydrophobicContact CB-CD2 4.13Å; R239-L450 HydrophobicContact CG-CD2 4.03Å; R239-V565 WeakPolarHBondContact CB-O 3.36Å; R239-V565 PolarHBondContact N-O 2.89Å; R239-G566 WeakPolarHBondContact CD-O 3.21Å; R239-G566 WeakPolarHBondContact CG-O 3.36Å; R239-G567 VanDerWaalsContact CD-O 3.31Å; R239-G567 WeakPolarHBondContact CD-O 3.24Å; R239-G567 PolarHBondContact NH1-O 3.46Å; R239-E572 IonicContact CZ-OE1 3.36Å; R239-E572 IonicContact CZ-OE2 3.79Å; R239-E572 IonicContact NH1-OE1 3.72Å; R239-E572 PolarHBondContact NH1-OE1 3.3Å; R239-E572 IonicContact NH1-OE2 3.08Å; R239-E572 PolarHBondContact NH1-OE2 2.95Å; R239-E572 IonicContact NH2-OE1 3.36Å; R239-E572 PolarHBondContact NH2-OE1 2.81Å; R239-E572 IonicContact NH2-OE2 3.72Å; R239-F601 HydrophobicContact CG-CE2 3.81Å
240G96.5Very high97.2Very high4 Ų410.7 Ų10.74%0.0416%0.06CC..G310 helixtrans-59.3-13.9173.300000114.2D238 D242 L450D238-G240 PolarHBondContact O-N 3.22Å; D238-G240 VanDerWaalsContact OD2-CA 3.3Å; D238-G240 WeakPolarHBondContact OD2-CA 3.45Å; D238-G240 PolarHBondContact OD2-N 2.84Å; G240-D242 VanDerWaalsContact C-N 3.28Å; G240-D242 PolarHBondContact O-N 2.85Å; G240-L450 WeakPolarHBondContact CA-O 3.48Å
241F96.7Very high97.5Very high10 Ų107.9 Ų7.94%0.0444%0.036CC..G310 helixtrans-62.9-33.617891.5-79.4000114.5R196 L237 D238 R239 L486 I489 I564 E572R196-F241 VanDerWaalsContact CZ-CA 3.45Å; R196-F241 VanDerWaalsContact NH1-CB 3.34Å; L237-F241 HydrophobicContact CB-CD1 4.17Å; L237-F241 HydrophobicContact CB-CE1 4.46Å; L237-F241 HydrophobicContact CB-CG 4.4Å; L237-F241 HydrophobicContact CD1-CD1 4.43Å; L237-F241 HydrophobicContact CD1-CD2 4.19Å; L237-F241 HydrophobicContact CD1-CE1 4.23Å; L237-F241 HydrophobicContact CD1-CE2 4.03Å; L237-F241 HydrophobicContact CD1-CG 4.37Å; L237-F241 HydrophobicContact CD1-CZ 4.02Å; D238-F241 VanDerWaalsContact O-CB 3.32Å; D238-F241 WeakPolarHBondContact O-CB 3.27Å; D238-F241 WeakPolarHBondContact O-CD1 3.21Å; D238-F241 PolarHBondContact O-N 2.91Å; D238-F241 PolarHBondContact OD2-N 3.15Å; R239-F241 PolarHBondContact O-N 3.41Å; R239-F241 VanDerWaalsContact O-N 3.09Å; F241-L486 HydrophobicContact CE2-CB 4.03Å; F241-L486 HydrophobicContact CE2-CD1 4.43Å; F241-L486 HydrophobicContact CZ-CB 4.12Å; F241-L486 HydrophobicContact CZ-CD1 4.31Å; F241-I489 HydrophobicContact CD2-CD1 3.78Å; F241-I489 HydrophobicContact CE2-CD1 4.1Å; F241-I564 HydrophobicContact CD1-CG2 4.48Å; F241-I564 HydrophobicContact CE1-CD1 3.77Å; F241-I564 HydrophobicContact CE1-CG1 4.03Å; F241-I564 HydrophobicContact CE1-CG2 3.96Å; F241-I564 HydrophobicContact CZ-CD1 3.89Å; F241-I564 HydrophobicContact CZ-CG1 4.44Å; F241-E572 WeakPolarHBondContact CZ-OE1 3.34Å
242D97Very high97.8Very high7 Ų75 Ų54%0.0373%0.027CC..  trans-153.7102.3178.3-175.8-3000109.1R239 G240 M244 S245 P246 V485R239-D242 PolarHBondContact NE-O 3.29Å; R239-D242 PolarHBondContact NH2-O 3.2Å; R239-D242 CarbonylContact O-C 3.55Å; R239-D242 PolarHBondContact O-N 2.89Å; G240-D242 VanDerWaalsContact C-N 3.28Å; G240-D242 PolarHBondContact O-N 2.85Å; D242-M244 WeakPolarHBondContact OD1-CB 3.4Å; D242-M244 PolarHBondContact OD1-N 3.11Å; D242-S245 VanDerWaalsContact CG-OG 3.3Å; D242-S245 PolarHBondContact OD1-N 3.06Å; D242-S245 PolarHBondContact OD1-OG 3.05Å; D242-S245 WeakPolarHBondContact OD2-CB 3.3Å; D242-S245 PolarHBondContact OD2-OG 3.16Å; D242-P246 WeakPolarHBondContact O-CD 3.31Å; D242-V485 HydrophobicContact CB-CB 4Å; D242-V485 HydrophobicContact CB-CG2 4.23Å; D242-V485 WeakPolarHBondContact OD2-CB 3.48Å; D242-V485 PolarHBondContact OD2-N 2.92Å
243V96.7Very high97.9Very high5 Ų55 Ų53%0.033%0.027CC..SBendtrans-101.3-2.4173.4176.30000112R239 P246 L247 L417 L450 L452 F601R239-V243 WeakPolarHBondContact O-CG2 3.31Å; V243-P246 WeakPolarHBondContact O-CG 3.34Å; V243-L247 HydrophobicContact CG1-CD1 4.16Å; V243-L247 VanDerWaalsContact O-CD1 3.23Å; V243-L247 WeakPolarHBondContact O-CD1 3.32Å; V243-L247 VanDerWaalsContact O-CG 3.24Å; V243-L247 WeakPolarHBondContact O-CG 3.45Å; V243-L417 HydrophobicContact CB-CD1 4.25Å; V243-L417 HydrophobicContact CG1-CD1 4Å; V243-L450 HydrophobicContact CG2-CD2 4.03Å; V243-L452 HydrophobicContact CB-CD1 3.78Å; V243-L452 HydrophobicContact CG1-CD1 4.01Å; V243-L452 HydrophobicContact CG2-CD1 3.6Å; V243-F601 HydrophobicContact CB-CZ 4.47Å; V243-F601 HydrophobicContact CG1-CE1 3.64Å; V243-F601 HydrophobicContact CG1-CZ 3.63Å; V243-F601 HydrophobicContact CG2-CZ 4.15Å
244M97.1Very high98Very high16 Ų165 Ų58%0.0793%0.027CC..SBendtrans-72.9-50.1173.6-170.366.171.400110.4D242 L247 L248 A377 V414 L417 T418 W482D242-M244 WeakPolarHBondContact OD1-CB 3.4Å; D242-M244 PolarHBondContact OD1-N 3.11Å; M244-L247 PolarHBondContact O-N 2.9Å; M244-L248 HydrophobicContact CG-CD1 3.84Å; M244-L248 HydrophobicContact CG-CG 4.14Å; M244-L248 WeakPolarHBondContact O-CG 3.49Å; M244-L248 PolarHBondContact O-N 3.48Å; M244-L248 HydrophobicContact SD-CD2 4.15Å; M244-L248 HydrophobicContact SD-CG 4.36Å; M244-A377 HydrophobicContact CE-CB 4.36Å; M244-A377 HydrophobicContact CG-CB 3.97Å; M244-A377 HydrophobicContact SD-CB 3.81Å; M244-V414 HydrophobicContact CE-CG1 4.25Å; M244-V414 HydrophobicContact SD-CB 4.21Å; M244-V414 HydrophobicContact SD-CG1 3.78Å; M244-V414 HydrophobicContact SD-CG2 3.85Å; M244-L417 HydrophobicContact CE-CB 4.04Å; M244-T418 HydrophobicContact CE-CG2 3.86Å; M244-W482 HydrophobicContact CB-CH2 3.8Å; M244-W482 HydrophobicContact CB-CZ2 3.53Å; M244-W482 HydrophobicContact CG-CD2 4.14Å; M244-W482 HydrophobicContact CG-CE3 4.26Å; M244-W482 HydrophobicContact CG-CH2 3.74Å; M244-W482 HydrophobicContact CG-CZ2 3.64Å; M244-W482 HydrophobicContact CG-CZ3 4.05Å
245S97.9Very high98Very high5 Ų55.4 Ų5.44%0.0353%0.031CC..THydrogen-bonded Turntrans-54.2-43.8-178.8-63.40000115.3D242 L247 W482 P484D242-S245 VanDerWaalsContact CG-OG 3.3Å; D242-S245 PolarHBondContact OD1-N 3.06Å; D242-S245 PolarHBondContact OD1-OG 3.05Å; D242-S245 WeakPolarHBondContact OD2-CB 3.3Å; D242-S245 PolarHBondContact OD2-OG 3.16Å; S245-L247 PolarHBondContact O-N 2.82Å; S245-W482 PolarHBondContact OG-NE1 3.39Å; S245-P484 WeakPolarHBondContact OG-CA 3.17Å; S245-P484 WeakPolarHBondContact OG-CB 3.33Å
246P98.1Very high98Very high2 Ų25.4 Ų5.41%0.0133%0.03CC..THydrogen-bonded Turntrans-71.3-8.8176.327.2-36.1000114.9D242 V243 T569 I596 P598 F601D242-P246 WeakPolarHBondContact O-CD 3.31Å; V243-P246 WeakPolarHBondContact O-CG 3.34Å; P246-T569 HydrophobicContact CB-CG2 3.63Å; P246-T569 HydrophobicContact CG-CG2 4.48Å; P246-I596 HydrophobicContact CB-CD1 3.89Å; P246-P598 VanDerWaalsContact O-CA 3.27Å; P246-P598 WeakPolarHBondContact O-CA 3.38Å; P246-P598 WeakPolarHBondContact O-CB 3.31Å; P246-P598 WeakPolarHBondContact O-CG 3.27Å; P246-F601 HydrophobicContact CB-CB 4.35Å; P246-F601 HydrophobicContact CB-CD1 3.88Å; P246-F601 HydrophobicContact CB-CD2 4.35Å; P246-F601 HydrophobicContact CB-CE1 4.28Å; P246-F601 HydrophobicContact CB-CG 3.92Å; P246-F601 HydrophobicContact CG-CD1 4.08Å; P246-F601 HydrophobicContact CG-CE1 3.96Å; P246-F601 HydrophobicContact CG-CE2 4.47Å; P246-F601 HydrophobicContact CG-CG 4.4Å; P246-F601 HydrophobicContact CG-CZ 4.17Å
247L98.4Very high98Very high0 Ų05.4 Ų5.40%03%0.03CC..THydrogen-bonded Turntrans-99.4-28.3-179.7-66.5172.8000113.4V243 M244 S245 R410 M413 V414 L417 F601 L602V243-L247 HydrophobicContact CG1-CD1 4.16Å; V243-L247 VanDerWaalsContact O-CD1 3.23Å; V243-L247 WeakPolarHBondContact O-CD1 3.32Å; V243-L247 VanDerWaalsContact O-CG 3.24Å; V243-L247 WeakPolarHBondContact O-CG 3.45Å; M244-L247 PolarHBondContact O-N 2.9Å; S245-L247 PolarHBondContact O-N 2.82Å; L247-R410 HydrophobicContact CD2-CG 4.36Å; L247-R410 PolarHBondContact O-NE 3.41Å; L247-R410 PolarHBondContact O-NH2 3.01Å; L247-R410 VanDerWaalsContact O-NH2 3.1Å; L247-M413 HydrophobicContact CD1-CB 3.6Å; L247-M413 HydrophobicContact CD1-CE 4.21Å; L247-M413 HydrophobicContact CD2-CB 4.4Å; L247-M413 HydrophobicContact CD2-CE 4.26Å; L247-M413 HydrophobicContact CD2-SD 3.99Å; L247-V414 HydrophobicContact CB-CG2 4.04Å; L247-V414 HydrophobicContact CD1-CG2 4.27Å; L247-L417 HydrophobicContact CD1-CD1 3.64Å; L247-F601 HydrophobicContact CD2-CD1 4.09Å; L247-F601 HydrophobicContact CD2-CE1 4.15Å; L247-F601 HydrophobicContact CG-CE1 4.43Å; L247-L602 HydrophobicContact CD2-CD2 4Å
248L98.3Very high97.9Very high5 Ų56 Ų63%0.0263%0.033CC..SBendtrans-75.1143.6-173-63.6174.3000112M244 E250 E373 A377 R410 V414 W482M244-L248 HydrophobicContact CG-CD1 3.84Å; M244-L248 HydrophobicContact CG-CG 4.14Å; M244-L248 WeakPolarHBondContact O-CG 3.49Å; M244-L248 PolarHBondContact O-N 3.48Å; M244-L248 HydrophobicContact SD-CD2 4.15Å; M244-L248 HydrophobicContact SD-CG 4.36Å; L248-E250 PolarHBondContact O-N 2.93Å; L248-E373 HydrophobicContact CD2-CB 3.76Å; L248-E373 HydrophobicContact CD2-CG 4.26Å; L248-A377 HydrophobicContact CD1-CB 3.97Å; L248-A377 HydrophobicContact CD2-CB 4.01Å; L248-R410 VanDerWaalsContact C-NH2 3.31Å; L248-R410 PolarHBondContact O-NH2 2.97Å; L248-V414 HydrophobicContact CD2-CG2 4.1Å; L248-W482 HydrophobicContact CD1-CB 3.66Å; L248-W482 HydrophobicContact CD1-CD2 3.9Å; L248-W482 HydrophobicContact CD1-CG 3.34Å
249H98.6Very high97.9Very high6 Ų67.3 Ų7.33%0.0284%0.04CC..PPolyproline II helixtrans-69.2117.8165-76.795000109.5D259 V366 C370 E373 D407 R410H249-D259 IonicContact CD2-OD2 2.99Å; H249-D259 PolarHBondContact CD2-OD2 2.95Å; H249-D259 IonicContact CG-OD2 3.83Å; H249-D259 IonicContact NE2-OD2 3.65Å; H249-V366 HydrophobicContact CB-CG1 4.22Å; H249-C370 VanDerWaalsContact CB-SG 3.51Å; H249-E373 WeakPolarHBondContact CB-OE2 3.36Å; H249-E373 IonicContact CE1-OE1 2.9Å; H249-E373 IonicContact CG-OE1 2.82Å; H249-E373 IonicContact CG-OE2 2.69Å; H249-E373 PolarHBondContact N-OE2 2.83Å; H249-E373 IonicContact ND1-OE1 3.62Å; H249-E373 PolarHBondContact ND1-OE1 3.35Å; H249-E373 IonicContact ND1-OE2 3.5Å; H249-E373 PolarHBondContact ND1-OE2 3.18Å; H249-D407 IonicContact CE1-OD1 3.96Å; H249-D407 PolarHBondContact CE1-OD1 3.42Å; H249-D407 IonicContact NE2-OD1 2.94Å; H249-D407 PolarHBondContact NE2-OD1 2.91Å; H249-R410 PolarHBondContact CE1-NH1 3.38Å; H249-R410 VanDerWaalsContact CG-NH2 3.34Å; H249-R410 PolarHBondContact ND1-NH2 2.99Å; H249-R410 PolarHBondContact NE2-NH1 2.89Å
250E97.9Very high97.9Very high24 Ų248.5 Ų8.511%0.1125%0.046CC..PPolyproline II helixtrans-100.3138.8180-98.7-85.2-164.200111L248 T252 A255 M256 S571 R574L248-E250 PolarHBondContact O-N 2.93Å; E250-T252 PolarHBondContact OE2-OG1 3.15Å; E250-A255 HydrophobicContact CB-CB 3.61Å; E250-A255 HydrophobicContact CG-CB 4.46Å; E250-M256 VanDerWaalsContact O-CA 3.26Å; E250-M256 WeakPolarHBondContact O-CA 3.24Å; E250-M256 WeakPolarHBondContact O-CB 3.42Å; E250-M256 PolarHBondContact O-N 2.91Å; E250-S571 VanDerWaalsContact OE1-CB 3.23Å; E250-S571 WeakPolarHBondContact OE1-CB 3.41Å; E250-R574 IonicContact OE1-CZ 3.08Å; E250-R574 IonicContact OE1-NH1 3.38Å; E250-R574 PolarHBondContact OE1-NH1 2.78Å; E250-R574 IonicContact OE1-NH2 3.6Å; E250-R574 PolarHBondContact OE1-NH2 2.59Å; E250-R574 IonicContact OE2-CZ 3.91Å; E250-R574 IonicContact OE2-NH1 3.4Å; E250-R574 PolarHBondContact OE2-NH1 2.82Å
251L98.3Very high97.9Very high3 Ų39.2 Ų9.22%0.0165%0.049CC..  trans-111.215.7-171.8-58.8-179.9000112.8M256 H299 I300 Y362 T479L251-M256 HydrophobicContact CD2-CE 4.16Å; L251-M256 HydrophobicContact CD2-SD 4.11Å; L251-H299 WeakPolarHBondContact CB-NE2 3.46Å; L251-I300 HydrophobicContact CB-CG2 4.24Å; L251-I300 PolarHBondContact O-N 3.32Å; L251-Y362 HydrophobicContact CD1-CE2 4.11Å; L251-Y362 HydrophobicContact CD2-CD2 3.85Å; L251-Y362 HydrophobicContact CD2-CE2 3.72Å; L251-T479 VanDerWaalsContact CD1-OG1 3.26Å; L251-T479 WeakPolarHBondContact CD1-OG1 3.26Å
252T98.4Very high97.7Very high13 Ų1314.7 Ų14.78%0.088%0.079CC..BIsolated β-bridgetrans-86144.316552.80000110.5E250 Q254 A255 M256 K298 R574E250-T252 PolarHBondContact OE2-OG1 3.15Å; T252-Q254 PolarHBondContact O-N 3.24Å; T252-A255 PolarHBondContact O-N 2.89Å; T252-A255 VanDerWaalsContact O-N 3.15Å; T252-M256 VanDerWaalsContact O-CB 3.28Å; T252-M256 WeakPolarHBondContact O-CB 3.27Å; T252-M256 PolarHBondContact O-N 3.21Å; T252-K298 WeakPolarHBondContact CA-O 3.43Å; T252-R574 PolarHBondContact OG1-NH1 3.48Å
253F98.6Very high97.7Very high0 Ų015.3 Ų15.30%08%0.081CC..Hα-helixtrans-53.8-50.1-158.4-169.3-149.6000114.3A257 W292 L295 R296 K298 I300 V303 H351 L354 A355F253-A257 VanDerWaalsContact O-CB 3.23Å; F253-A257 WeakPolarHBondContact O-CB 3.29Å; F253-A257 PolarHBondContact O-N 3.02Å; F253-W292 HydrophobicContact CD1-CE3 4.22Å; F253-W292 AromaticContact CD1-CZ3 3.83Å; F253-W292 HydrophobicContact CD1-CZ3 3.83Å; F253-W292 HydrophobicContact CE1-CE3 4.1Å; F253-W292 AromaticContact CE1-CZ3 3.85Å; F253-W292 HydrophobicContact CE1-CZ3 3.85Å; F253-W292 HydrophobicContact CG-CZ3 4.49Å; F253-L295 WeakPolarHBondContact CB-O 3.36Å; F253-L295 HydrophobicContact CD1-CB 3.77Å; F253-L295 HydrophobicContact CE1-CB 4.11Å; F253-L295 HydrophobicContact CE1-CD1 4.36Å; F253-R296 PolarHBondContact N-O 2.87Å; F253-K298 PolarHBondContact N-O 3.34Å; F253-I300 HydrophobicContact CD2-CD1 3.96Å; F253-I300 HydrophobicContact CE2-CD1 4.3Å; F253-V303 HydrophobicContact CB-CG2 3.88Å; F253-V303 HydrophobicContact CD1-CG1 3.97Å; F253-V303 HydrophobicContact CD1-CG2 4.3Å; F253-V303 HydrophobicContact CD2-CG1 4.12Å; F253-V303 HydrophobicContact CD2-CG2 4.23Å; F253-V303 HydrophobicContact CE1-CG1 3.83Å; F253-V303 HydrophobicContact CE2-CG1 3.99Å; F253-V303 HydrophobicContact CG-CG1 4.11Å; F253-V303 HydrophobicContact CG-CG2 3.9Å; F253-V303 HydrophobicContact CZ-CG1 3.82Å; F253-H351 AromaticContact CE1-ND1 3.73Å; F253-L354 HydrophobicContact CE1-CD2 4.1Å; F253-L354 HydrophobicContact CE2-CB 4.25Å; F253-L354 HydrophobicContact CE2-CD2 3.96Å; F253-L354 HydrophobicContact CE2-CG 3.72Å; F253-L354 HydrophobicContact CZ-CB 3.92Å; F253-L354 HydrophobicContact CZ-CD2 3.53Å; F253-L354 HydrophobicContact CZ-CG 3.66Å; F253-A355 HydrophobicContact CE2-CB 3.99Å; F253-A355 HydrophobicContact CZ-CB 4.29Å
254Q98.6Very high97.4Very high2 Ų220.1 Ų20.11%0.00910%0.104CC..Hα-helixtrans-67.3-49.3178.5174.6-177.93600112.2E145 T252 M256 A257 Y258 W292 R296 H297 Y570E145-Q254 PolarHBondContact OE1-NE2 3.34Å; T252-Q254 PolarHBondContact O-N 3.24Å; Q254-M256 VanDerWaalsContact C-N 3.3Å; Q254-M256 PolarHBondContact O-N 2.81Å; Q254-A257 PolarHBondContact O-N 3.26Å; Q254-Y258 HydrophobicContact CG-CD2 4.12Å; Q254-Y258 HydrophobicContact CG-CE2 4.11Å; Q254-Y258 VanDerWaalsContact O-CD2 3.23Å; Q254-Y258 WeakPolarHBondContact O-CD2 3.28Å; Q254-Y258 PolarHBondContact O-N 3.28Å; Q254-Y258 VanDerWaalsContact O-N 3.08Å; Q254-W292 HydrophobicContact CB-CH2 3.76Å; Q254-W292 HydrophobicContact CB-CZ2 3.8Å; Q254-W292 HydrophobicContact CG-CH2 4.09Å; Q254-W292 HydrophobicContact CG-CZ2 3.72Å; Q254-R296 HydrophobicContact CB-CB 3.87Å; Q254-R296 WeakPolarHBondContact CB-O 3.38Å; Q254-R296 PolarHBondContact N-O 2.71Å; Q254-H297 PolarHBondContact OE1-CE1 3.34Å; Q254-Y570 VanDerWaalsContact CD-CD1 3.48Å; Q254-Y570 HydrophobicContact CG-CD1 3.46Å; Q254-Y570 VanDerWaalsContact CG-CD1 3.46Å; Q254-Y570 HydrophobicContact CG-CE1 3.89Å; Q254-Y570 HydrophobicContact CG-CG 4.16Å
255A98.5Very high97Very high9 Ų925.5 Ų25.57%0.07413%0.133CC..Hα-helixtrans-59.3-43.5179.800000111.8E250 T252 D259E250-A255 HydrophobicContact CB-CB 3.61Å; E250-A255 HydrophobicContact CG-CB 4.46Å; T252-A255 PolarHBondContact O-N 2.89Å; T252-A255 VanDerWaalsContact O-N 3.15Å; A255-D259 WeakPolarHBondContact O-CB 3.47Å; A255-D259 PolarHBondContact O-N 3.46Å; A255-D259 VanDerWaalsContact O-N 3.13Å
256M98.6Very high96.8Very high0 Ų026.7 Ų26.70%014%0.139CC..Hα-helixtrans-65-44.6178.1-170.6179.5-178.900112.3E250 L251 T252 Q254 D259 L260 I300 C358 Y362E250-M256 VanDerWaalsContact O-CA 3.26Å; E250-M256 WeakPolarHBondContact O-CA 3.24Å; E250-M256 WeakPolarHBondContact O-CB 3.42Å; E250-M256 PolarHBondContact O-N 2.91Å; L251-M256 HydrophobicContact CD2-CE 4.16Å; L251-M256 HydrophobicContact CD2-SD 4.11Å; T252-M256 VanDerWaalsContact O-CB 3.28Å; T252-M256 WeakPolarHBondContact O-CB 3.27Å; T252-M256 PolarHBondContact O-N 3.21Å; Q254-M256 VanDerWaalsContact C-N 3.3Å; Q254-M256 PolarHBondContact O-N 2.81Å; M256-D259 PolarHBondContact O-N 3.33Å; M256-L260 HydrophobicContact CE-CD1 3.59Å; M256-L260 HydrophobicContact CG-CD1 3.71Å; M256-L260 HydrophobicContact CG-CG 4.29Å; M256-L260 WeakPolarHBondContact O-CB 3.41Å; M256-L260 WeakPolarHBondContact O-CG 3.41Å; M256-L260 PolarHBondContact O-N 3.29Å; M256-I300 HydrophobicContact CE-CG1 4.25Å; M256-I300 HydrophobicContact CE-CG2 4.4Å; M256-I300 HydrophobicContact SD-CB 3.59Å; M256-I300 VanDerWaalsContact SD-CB 3.59Å; M256-I300 HydrophobicContact SD-CD1 4.11Å; M256-I300 HydrophobicContact SD-CG1 3.59Å; M256-I300 VanDerWaalsContact SD-CG1 3.59Å; M256-I300 HydrophobicContact SD-CG2 3.73Å; M256-C358 HydrophobicContact CE-CB 3.98Å; M256-C358 WeakPolarHBondContact CE-O 3.24Å; M256-C358 HydrophobicContact CG-CB 4.45Å; M256-C358 HydrophobicContact SD-CB 4.08Å; M256-Y362 HydrophobicContact CE-CD2 4.08Å; M256-Y362 HydrophobicContact CE-CG 4.02Å
257A98.5Very high96.7Very high0 Ų028 Ų280%015%0.146CC..Hα-helixtrans-63.2-44.9-178.700000111.7F253 Q254 L261 I263 L354F253-A257 VanDerWaalsContact O-CB 3.23Å; F253-A257 WeakPolarHBondContact O-CB 3.29Å; F253-A257 PolarHBondContact O-N 3.02Å; Q254-A257 PolarHBondContact O-N 3.26Å; A257-L261 HydrophobicContact CB-CD1 4.37Å; A257-L261 WeakPolarHBondContact O-CA 3.44Å; A257-L261 WeakPolarHBondContact O-CB 3.4Å; A257-L261 WeakPolarHBondContact O-CG 3.45Å; A257-L261 PolarHBondContact O-N 3.36Å; A257-I263 HydrophobicContact CB-CD1 3.91Å; A257-L354 HydrophobicContact CB-CD1 4.07Å; A257-L354 HydrophobicContact CB-CG 4.47Å
258Y98.1Very high96.6Very high12 Ų1228.4 Ų28.45%0.04715%0.148CC..Hα-helixtrans-76.6-19.9-178.8-78.1-106.4000113.5Q254 I263 D266 L285 W292 Y570 T597Q254-Y258 HydrophobicContact CG-CD2 4.12Å; Q254-Y258 HydrophobicContact CG-CE2 4.11Å; Q254-Y258 VanDerWaalsContact O-CD2 3.23Å; Q254-Y258 WeakPolarHBondContact O-CD2 3.28Å; Q254-Y258 PolarHBondContact O-N 3.28Å; Q254-Y258 VanDerWaalsContact O-N 3.08Å; Y258-I263 HydrophobicContact CD1-CB 4.23Å; Y258-I263 HydrophobicContact CD1-CG2 4Å; Y258-I263 HydrophobicContact CD2-CD1 4.17Å; Y258-I263 HydrophobicContact CE1-CB 4.31Å; Y258-I263 HydrophobicContact CE1-CG2 3.57Å; Y258-I263 HydrophobicContact CE2-CD1 4.31Å; Y258-I263 HydrophobicContact CE2-CG2 4.32Å; Y258-D266 WeakPolarHBondContact CE1-OD1 3.47Å; Y258-D266 WeakPolarHBondContact OH-CA 3.38Å; Y258-D266 WeakPolarHBondContact OH-CB 2.98Å; Y258-D266 PolarHBondContact OH-OD1 2.89Å; Y258-L285 HydrophobicContact CE2-CD1 4.17Å; Y258-W292 HydrophobicContact CE2-CH2 4.18Å; Y258-W292 HydrophobicContact CE2-CZ2 4.01Å; Y258-Y570 HydrophobicContact CD1-CE1 4.34Å; Y258-Y570 AromaticContact CD1-CE2 3.83Å; Y258-Y570 HydrophobicContact CD1-CE2 3.83Å; Y258-Y570 AromaticContact CD1-CZ 3.48Å; Y258-Y570 VanDerWaalsContact CD1-CZ 3.48Å; Y258-Y570 WeakPolarHBondContact CD1-OH 3.42Å; Y258-Y570 HydrophobicContact CD2-CE1 4.39Å; Y258-Y570 HydrophobicContact CE1-CE1 4.46Å; Y258-Y570 AromaticContact CE1-CZ 3.88Å; Y258-Y570 WeakPolarHBondContact CE1-OH 3.43Å; Y258-Y570 HydrophobicContact CG-CD2 4.44Å; Y258-Y570 HydrophobicContact CG-CE1 4.27Å; Y258-Y570 AromaticContact CG-CE2 3.73Å; Y258-Y570 HydrophobicContact CG-CE2 3.73Å; Y258-Y570 AromaticContact CG-CZ 3.63Å; Y258-T597 VanDerWaalsContact O-CG2 3.31Å; Y258-T597 WeakPolarHBondContact O-CG2 2.99Å
259D97.9Very high96.4Very high31 Ų3133.6 Ų33.617%0.16617%0.168CC..Hα-helixtrans-80.3-48.7171.9-173.719.2000111.3H249 A255 M256 R410 P598H249-D259 IonicContact CD2-OD2 2.99Å; H249-D259 PolarHBondContact CD2-OD2 2.95Å; H249-D259 IonicContact CG-OD2 3.83Å; H249-D259 IonicContact NE2-OD2 3.65Å; A255-D259 WeakPolarHBondContact O-CB 3.47Å; A255-D259 PolarHBondContact O-N 3.46Å; A255-D259 VanDerWaalsContact O-N 3.13Å; M256-D259 PolarHBondContact O-N 3.33Å; D259-R410 IonicContact OD1-CZ 2.96Å; D259-R410 IonicContact OD1-NH1 3.03Å; D259-R410 PolarHBondContact OD1-NH1 3.33Å; D259-R410 VanDerWaalsContact OD1-NH1 3.09Å; D259-R410 IonicContact OD1-NH2 2.79Å; D259-R410 IonicContact OD2-CZ 4Å; D259-R410 IonicContact OD2-NH1 3.21Å; D259-R410 PolarHBondContact OD2-NH1 2.89Å; D259-R410 IonicContact OD2-NH2 3.31Å; D259-R410 PolarHBondContact OD2-NH2 2.79Å; D259-P598 HydrophobicContact CB-CG 4.46Å; D259-P598 WeakPolarHBondContact OD1-CD 3.4Å; D259-P598 WeakPolarHBondContact OD1-CG 3.28Å
260L97.3Very high96.1Very high24 Ų2434 Ų3413%0.12617%0.169CC..Hα-helixtrans-90.3-17.7-169.1-60.7-174.3000114.9M256 R361 V366M256-L260 HydrophobicContact CE-CD1 3.59Å; M256-L260 HydrophobicContact CG-CD1 3.71Å; M256-L260 HydrophobicContact CG-CG 4.29Å; M256-L260 WeakPolarHBondContact O-CB 3.41Å; M256-L260 WeakPolarHBondContact O-CG 3.41Å; M256-L260 PolarHBondContact O-N 3.29Å; L260-R361 HydrophobicContact CB-CB 4.19Å; L260-R361 HydrophobicContact CD1-CB 4.19Å; L260-V366 HydrophobicContact CD2-CG1 4.32Å; L260-V366 HydrophobicContact CD2-CG2 3.99Å
261L96.7Very high95.4Very high20 Ų2037.1 Ų37.111%0.10518%0.184CC..SBendtrans-119.2155.1-174.1-46.3-179.9000111.2A257 I263 F268 L354 V357 R361A257-L261 HydrophobicContact CB-CD1 4.37Å; A257-L261 WeakPolarHBondContact O-CA 3.44Å; A257-L261 WeakPolarHBondContact O-CB 3.4Å; A257-L261 WeakPolarHBondContact O-CG 3.45Å; A257-L261 PolarHBondContact O-N 3.36Å; L261-I263 VanDerWaalsContact C-N 3.26Å; L261-I263 HydrophobicContact CB-CD1 4.31Å; L261-I263 HydrophobicContact CB-CG1 4.12Å; L261-I263 HydrophobicContact CD1-CD1 4.49Å; L261-I263 PolarHBondContact O-N 2.88Å; L261-F268 HydrophobicContact CD1-CE2 4.11Å; L261-L354 HydrophobicContact CD1-CD1 3.47Å; L261-L354 VanDerWaalsContact CD1-CD1 3.47Å; L261-V357 HydrophobicContact CD1-CG1 4.47Å; L261-V357 HydrophobicContact CD2-CB 4.36Å; L261-V357 HydrophobicContact CD2-CG1 3.54Å; L261-R361 HydrophobicContact CD2-CG 3.88Å
262D92.8Very high94.5Very high125 Ų12538.2 Ų38.267%0.66819%0.19SC*.  trans-80.872.1177.5-17024.3000110.7
263I96.2Very high92.9Very high19 Ų1940 Ų4010%0.09721%0.212CC..  trans-100.6104.6176.9-60.3174.5000108.5A257 Y258 L261 F268 L285 L354A257-I263 HydrophobicContact CB-CD1 3.91Å; Y258-I263 HydrophobicContact CD1-CB 4.23Å; Y258-I263 HydrophobicContact CD1-CG2 4Å; Y258-I263 HydrophobicContact CD2-CD1 4.17Å; Y258-I263 HydrophobicContact CE1-CB 4.31Å; Y258-I263 HydrophobicContact CE1-CG2 3.57Å; Y258-I263 HydrophobicContact CE2-CD1 4.31Å; Y258-I263 HydrophobicContact CE2-CG2 4.32Å; L261-I263 VanDerWaalsContact C-N 3.26Å; L261-I263 HydrophobicContact CB-CD1 4.31Å; L261-I263 HydrophobicContact CB-CG1 4.12Å; L261-I263 HydrophobicContact CD1-CD1 4.49Å; L261-I263 PolarHBondContact O-N 2.88Å; I263-F268 HydrophobicContact CG1-CD2 4.37Å; I263-L285 HydrophobicContact CD1-CD1 3.97Å; I263-L354 HydrophobicContact CD1-CD1 4.38Å
264E90.8Very high90.8Very high107 Ų10743 Ų4350%0.524%0.237SC..BIsolated β-bridgetrans-105.1132.6176.4-62.7-174.3148.800110.5D266 V267E264-D266 PolarHBondContact O-N 3.13Å; E264-V267 PolarHBondContact O-N 3.26Å
265N88.4Confident88.8Confident128 Ų12847.1 Ų47.168%0.68428%0.28SS*.THydrogen-bonded Turntrans50.740.5-179.6-54.8-61000112.9V267N265-V267 PolarHBondContact O-N 3.29Å; N265-V267 VanDerWaalsContact O-N 3.11Å
266D93.7Very high87Confident30 Ų3050.5 Ų50.516%0.1632%0.315CS..THydrogen-bonded Turntrans63.913.5178.5-42.1-65.7000114.3Y144 Y258 E264 L284 L285Y144-D266 WeakPolarHBondContact CE2-OD1 3.18Å; Y144-D266 PolarHBondContact OH-OD1 3.31Å; Y258-D266 WeakPolarHBondContact CE1-OD1 3.47Å; Y258-D266 WeakPolarHBondContact OH-CA 3.38Å; Y258-D266 WeakPolarHBondContact OH-CB 2.98Å; Y258-D266 PolarHBondContact OH-OD1 2.89Å; E264-D266 PolarHBondContact O-N 3.13Å; D266-L284 HydrophobicContact CB-CD1 3.96Å; D266-L285 PolarHBondContact O-N 3.41Å
267V95.6Very high85.5Confident29 Ų2958.1 Ų58.118%0.17635%0.35CS..EExtended strand (participates in β ladder)trans-94.5111.9178.61790000110.7E264 N265 R269 E282 L284E264-V267 PolarHBondContact O-N 3.26Å; N265-V267 PolarHBondContact O-N 3.29Å; N265-V267 VanDerWaalsContact O-N 3.11Å; V267-R269 HydrophobicContact CG1-CG 4.14Å; V267-E282 HydrophobicContact CG1-CB 3.91Å; V267-E282 HydrophobicContact CG1-CG 4.46Å; V267-L284 HydrophobicContact CG2-CD1 4.23Å
268F96.2Very high84.4Confident9 Ų964.8 Ų64.84%0.03938%0.382CS..EExtended strand (participates in β ladder)trans-87.6122.7170.2177.6-127.9000110.8L261 I263 Y270 E282 V283 L285 T350 H353 L354L261-F268 HydrophobicContact CD1-CE2 4.11Å; I263-F268 HydrophobicContact CG1-CD2 4.37Å; F268-Y270 AromaticContact CD1-CD1 3.69Å; F268-Y270 HydrophobicContact CD1-CD1 3.69Å; F268-Y270 HydrophobicContact CD1-CE1 4.24Å; F268-Y270 HydrophobicContact CD1-CG 4.39Å; F268-Y270 AromaticContact CE1-CD1 3.56Å; F268-Y270 HydrophobicContact CE1-CD1 3.56Å; F268-Y270 HydrophobicContact CE1-CE1 4.26Å; F268-Y270 AromaticContact CE1-CG 3.81Å; F268-Y270 HydrophobicContact CE1-CG 3.81Å; F268-Y270 HydrophobicContact CZ-CD1 4.35Å; F268-Y270 HydrophobicContact CZ-CG 4.26Å; F268-E282 WeakPolarHBondContact O-CA 3.3Å; F268-V283 PolarHBondContact N-O 2.96Å; F268-V283 PolarHBondContact O-N 2.97Å; F268-L285 HydrophobicContact CB-CD1 4.02Å; F268-L285 HydrophobicContact CB-CD2 4.38Å; F268-L285 HydrophobicContact CB-CG 4.13Å; F268-T350 HydrophobicContact CD1-CG2 4.05Å; F268-T350 HydrophobicContact CE1-CG2 4.47Å; F268-H353 AromaticContact CZ-CD2 3.78Å; F268-L354 HydrophobicContact CD1-CB 4.3Å; F268-L354 HydrophobicContact CD1-CD1 4.1Å; F268-L354 HydrophobicContact CD2-CD1 3.78Å; F268-L354 HydrophobicContact CE1-CB 3.8Å; F268-L354 HydrophobicContact CE1-CD1 3.97Å; F268-L354 HydrophobicContact CE1-CG 4.46Å; F268-L354 HydrophobicContact CE2-CD1 3.66Å; F268-L354 HydrophobicContact CG-CD1 4Å; F268-L354 HydrophobicContact CZ-CB 4.1Å; F268-L354 HydrophobicContact CZ-CD1 3.75Å
269R95Very high83.6Confident115 Ų11568.8 Ų68.843%0.43440%0.403SS..EExtended strand (participates in β ladder)trans-106130.6177.9-56.8-170.3178.688.32.2110.8V267 K281 E282V267-R269 HydrophobicContact CG1-CG 4.14Å; R269-K281 CarbonylContact C-O 3.5Å; R269-K281 WeakPolarHBondContact CA-O 3.44Å; R269-E282 WeakPolarHBondContact CD-OE1 3.28Å; R269-E282 HydrophobicContact CG-CG 4.1Å; R269-E282 IonicContact CZ-OE1 3.34Å; R269-E282 IonicContact NE-OE1 3.79Å; R269-E282 PolarHBondContact NE-OE1 2.91Å; R269-E282 IonicContact NH2-OE1 3.81Å
270Y91.3Very high83.1Confident13 Ų1373 Ų735%0.05143%0.425CS..EExtended strand (participates in β ladder)trans-154.5158.1178.171.1-74.1000113.7F268 T272 K281 V283 T350 H353F268-Y270 AromaticContact CD1-CD1 3.69Å; F268-Y270 HydrophobicContact CD1-CD1 3.69Å; F268-Y270 HydrophobicContact CD1-CE1 4.24Å; F268-Y270 HydrophobicContact CD1-CG 4.39Å; F268-Y270 AromaticContact CE1-CD1 3.56Å; F268-Y270 HydrophobicContact CE1-CD1 3.56Å; F268-Y270 HydrophobicContact CE1-CE1 4.26Å; F268-Y270 AromaticContact CE1-CG 3.81Å; F268-Y270 HydrophobicContact CE1-CG 3.81Å; F268-Y270 HydrophobicContact CZ-CD1 4.35Å; F268-Y270 HydrophobicContact CZ-CG 4.26Å; Y270-T272 HydrophobicContact CD2-CG2 3.61Å; Y270-T272 HydrophobicContact CE2-CG2 3.18Å; Y270-K281 HydrophobicContact CD1-CB 4.05Å; Y270-K281 HydrophobicContact CE1-CB 3.71Å; Y270-K281 HydrophobicContact CE1-CD 4.3Å; Y270-K281 HydrophobicContact CE2-CD 4.21Å; Y270-K281 PolarHBondContact N-O 3.43Å; Y270-K281 PolarHBondContact O-N 2.88Å; Y270-K281 WeakPolarHBondContact OH-CD 3.5Å; Y270-V283 HydrophobicContact CE1-CG2 3.77Å; Y270-T350 HydrophobicContact CE1-CG2 4.1Å; Y270-T350 PolarHBondContact OH-OG1 3.44Å; Y270-T350 VanDerWaalsContact OH-OG1 3.09Å; Y270-H353 WeakPolarHBondContact CB-CD2 3.3Å; Y270-H353 WeakPolarHBondContact CB-NE2 3.39Å; Y270-H353 HydrophobicContact CD2-CB 3.99Å; Y270-H353 AromaticContact CD2-CD2 3.27Å; Y270-H353 WeakPolarHBondContact CD2-CD2 3.49Å; Y270-H353 AromaticContact CD2-CG 3.59Å; Y270-H353 AromaticContact CD2-NE2 3.86Å; Y270-H353 HydrophobicContact CE2-CB 4.15Å; Y270-H353 AromaticContact CG-CD2 3.47Å; Y270-H353 VanDerWaalsContact CG-CD2 3.47Å
271Q85.2Confident82.8Confident91 Ų9174.3 Ų74.343%0.42543%0.43SS..EExtended strand (participates in β ladder)trans-98.7132.7-179-75.7179.8-16.300111.8D280Q271-D280 WeakPolarHBondContact CG-OD1 3.31Å; Q271-D280 PolarHBondContact NE2-OD1 2.85Å
272T77.4Confident82.6Confident25 Ų2579.5 Ų79.515%0.15345%0.454CS..EExtended strand (participates in β ladder)trans-123.9141172.4620000110.7Y270 I279 K281Y270-T272 HydrophobicContact CD2-CG2 3.61Å; Y270-T272 HydrophobicContact CE2-CG2 3.18Å; T272-I279 PolarHBondContact N-O 3.03Å; T272-I279 WeakPolarHBondContact O-CA 3.05Å; T272-I279 WeakPolarHBondContact O-CB 3.34Å; T272-I279 PolarHBondContact O-N 3.23Å; T272-I279 PolarHBondContact OG1-O 3.47Å; T272-K281 HydrophobicContact CG2-CD 3.8Å; T272-K281 HydrophobicContact CG2-CG 4.4Å; T272-K281 VanDerWaalsContact OG1-CE 3.24Å; T272-K281 WeakPolarHBondContact OG1-CE 3.48Å
273G65.8Low82.7Confident52 Ų5275.2 Ų75.254%0.53643%0.432SS..  trans176.3144.8-179.700000112.5E277G273-E277 VanDerWaalsContact CA-O 3.3Å; G273-E277 WeakPolarHBondContact CA-O 3.43Å
274A55.2Low82.5Confident63 Ų6378.4 Ų78.452%0.52145%0.449SS..SBendtrans-132.4120.4169.500000107.4
275G54.9Low82.7Confident88 Ų8873.6 Ų73.691%0.90743%0.427SS*.SBendtrans99.320.617700000116.9
276G61.5Low82.9Confident79 Ų7969.3 Ų69.381%0.81440%0.404SS*.SBendtrans103.5-16.5169.800000116.1
277E67.2Low82.7Confident160 Ų16070 Ų7075%0.74841%0.406SS*.  trans-88.8116168.7-71.3-178.8166.500109.9G273G273-E277 VanDerWaalsContact CA-O 3.3Å; G273-E277 WeakPolarHBondContact CA-O 3.43Å
278Q75.3Confident82.3Confident141 Ų14172.1 Ų72.166%0.65942%0.416SS*.  trans-87.5121.2169.2-70.5-175-23.400108.9
279I81.8Confident82.1Confident95 Ų9572.2 Ų72.249%0.48742%0.417SS..EExtended strand (participates in β ladder)trans-104.1111.7174.8-56.7172.5000107.2T272T272-I279 PolarHBondContact N-O 3.03Å; T272-I279 WeakPolarHBondContact O-CA 3.05Å; T272-I279 WeakPolarHBondContact O-CB 3.34Å; T272-I279 PolarHBondContact O-N 3.23Å; T272-I279 PolarHBondContact OG1-O 3.47Å
280D87.8Confident81.9Confident119 Ų11970.4 Ų70.464%0.63642%0.416SS*.EExtended strand (participates in β ladder)trans-65.9130.1170.3-64.2-36000109.5Q271Q271-D280 WeakPolarHBondContact CG-OD1 3.31Å; Q271-D280 PolarHBondContact NE2-OD1 2.85Å
281K90Very high82.1Confident52 Ų5270.7 Ų70.723%0.22642%0.418CS..EExtended strand (participates in β ladder)trans-120.4137.6175-73.5-167.9173.3-178.80109.6R269 Y270 T272 N346R269-K281 CarbonylContact C-O 3.5Å; R269-K281 WeakPolarHBondContact CA-O 3.44Å; Y270-K281 HydrophobicContact CD1-CB 4.05Å; Y270-K281 HydrophobicContact CE1-CB 3.71Å; Y270-K281 HydrophobicContact CE1-CD 4.3Å; Y270-K281 HydrophobicContact CE2-CD 4.21Å; Y270-K281 PolarHBondContact N-O 3.43Å; Y270-K281 PolarHBondContact O-N 2.88Å; Y270-K281 WeakPolarHBondContact OH-CD 3.5Å; T272-K281 HydrophobicContact CG2-CD 3.8Å; T272-K281 HydrophobicContact CG2-CG 4.4Å; T272-K281 VanDerWaalsContact OG1-CE 3.24Å; T272-K281 WeakPolarHBondContact OG1-CE 3.48Å; K281-N346 PolarHBondContact NZ-OD1 3.36Å
282E93.7Very high82.7Confident130 Ų13066.4 Ų66.461%0.60740%0.398SS*.EExtended strand (participates in β ladder)trans-115.4129.3169.8-55.7-164.4142.300108.5V267 F268 R269V267-E282 HydrophobicContact CG1-CB 3.91Å; V267-E282 HydrophobicContact CG1-CG 4.46Å; F268-E282 WeakPolarHBondContact O-CA 3.3Å; R269-E282 WeakPolarHBondContact CD-OE1 3.28Å; R269-E282 HydrophobicContact CG-CG 4.1Å; R269-E282 IonicContact CZ-OE1 3.34Å; R269-E282 IonicContact NE-OE1 3.79Å; R269-E282 PolarHBondContact NE-OE1 2.91Å; R269-E282 IonicContact NH2-OE1 3.81Å
283V93.6Very high83.6Confident35 Ų3567.2 Ų67.221%0.21240%0.403CS..EExtended strand (participates in β ladder)trans-131.8127.5179.3-179.70000109.5F268 Y270 T350F268-V283 PolarHBondContact N-O 2.96Å; F268-V283 PolarHBondContact O-N 2.97Å; Y270-V283 HydrophobicContact CE1-CG2 3.77Å; V283-T350 HydrophobicContact CB-CG2 4.03Å; V283-T350 HydrophobicContact CG1-CG2 3.92Å; V283-T350 HydrophobicContact CG2-CG2 4.11Å
284L93.2Very high85Confident86 Ų8670.2 Ų70.245%0.4540%0.403SS..EExtended strand (participates in β ladder)trans-77.2127.8172.9-173.767000109.9D266 V267 D286D266-L284 HydrophobicContact CB-CD1 3.96Å; V267-L284 HydrophobicContact CG2-CD1 4.23Å; L284-D286 HydrophobicContact CD2-CB 4.33Å; L284-D286 WeakPolarHBondContact CD2-OD2 3.37Å; L284-D286 HydrophobicContact CG-CB 4.21Å; L284-D286 PolarHBondContact O-N 2.86Å
285L94.5Very high87.1Confident6 Ų667.2 Ų67.23%0.03138%0.379CS..  trans-95.584178.8-61-179.6000110.5Y258 I263 D266 F268 W292 L354Y258-L285 HydrophobicContact CE2-CD1 4.17Å; I263-L285 HydrophobicContact CD1-CD1 3.97Å; D266-L285 PolarHBondContact O-N 3.41Å; F268-L285 HydrophobicContact CB-CD1 4.02Å; F268-L285 HydrophobicContact CB-CD2 4.38Å; F268-L285 HydrophobicContact CB-CG 4.13Å; L285-W292 HydrophobicContact CB-CD2 4.35Å; L285-W292 HydrophobicContact CB-CZ2 4.1Å; L285-W292 HydrophobicContact CD1-CH2 3.96Å; L285-W292 HydrophobicContact CD1-CZ2 4.24Å; L285-W292 HydrophobicContact CD1-CZ3 4.28Å; L285-W292 HydrophobicContact CD2-CD2 4.47Å; L285-W292 HydrophobicContact CD2-CE3 4.3Å; L285-W292 HydrophobicContact CD2-CZ3 4.48Å; L285-L354 HydrophobicContact CD1-CD2 4.1Å; L285-L354 HydrophobicContact CD2-CD2 4.25Å
286D91.1Very high89.1Confident38 Ų3863.2 Ų63.220%0.20334%0.336CS..SBendtrans-130.4178.4-175.669.86.9000113.1L284 N288 D289L284-D286 HydrophobicContact CD2-CB 4.33Å; L284-D286 WeakPolarHBondContact CD2-OD2 3.37Å; L284-D286 HydrophobicContact CG-CB 4.21Å; L284-D286 PolarHBondContact O-N 2.86Å; D286-N288 PolarHBondContact O-N 2.87Å; D286-N288 WeakPolarHBondContact OD1-CA 3.35Å; D286-N288 WeakPolarHBondContact OD1-CB 3.38Å; D286-N288 PolarHBondContact OD1-N 3.2Å; D286-N288 PolarHBondContact OD2-ND2 3.37Å; D286-D289 PolarHBondContact O-N 3.23Å; D286-D289 VanDerWaalsContact O-N 3.12Å; D286-D289 PolarHBondContact OD1-N 2.88Å
287E90.1Very high90.9Very high45 Ų4561.5 Ų61.521%0.2131%0.307CS..THydrogen-bonded Turntrans-73.1-1.2177.2-63.7-160.8152.100113.8E145 S146 D289 R296E145-E287 WeakPolarHBondContact CB-OE1 3.28Å; S146-E287 VanDerWaalsContact CB-OE1 3.28Å; S146-E287 WeakPolarHBondContact CB-OE1 3.05Å; S146-E287 WeakPolarHBondContact CB-OE2 3.28Å; S146-E287 PolarHBondContact N-OE1 3.27Å; S146-E287 PolarHBondContact N-OE2 3.1Å; S146-E287 PolarHBondContact OG-OE1 2.76Å; E287-D289 PolarHBondContact O-N 3.22Å; E287-R296 IonicContact OE1-CZ 3.31Å; E287-R296 IonicContact OE1-NH1 3.69Å; E287-R296 PolarHBondContact OE1-NH1 3.27Å; E287-R296 IonicContact OE1-NH2 3.5Å; E287-R296 PolarHBondContact OE1-NH2 3.34Å; E287-R296 VanDerWaalsContact OE1-NH2 3.08Å
288N86.6Confident92.3Very high72 Ų7256.3 Ų56.339%0.38528%0.282SS..THydrogen-bonded Turntrans-76.2-14.1167.9-60.9-59.2000111.7K50 D286 K347K50-N288 WeakPolarHBondContact CE-OD1 3.43Å; K50-N288 PolarHBondContact NZ-OD1 2.69Å; D286-N288 PolarHBondContact O-N 2.87Å; D286-N288 WeakPolarHBondContact OD1-CA 3.35Å; D286-N288 WeakPolarHBondContact OD1-CB 3.38Å; D286-N288 PolarHBondContact OD1-N 3.2Å; D286-N288 PolarHBondContact OD2-ND2 3.37Å; N288-K347 PolarHBondContact O-NZ 3.13Å
289D92Very high93.4Very high11 Ų1150.8 Ų50.86%0.05926%0.256CS..  trans-9598.3165.2-164.81.9000113D286 E287 L291 W292 T293 K347 H351D286-D289 PolarHBondContact O-N 3.23Å; D286-D289 VanDerWaalsContact O-N 3.12Å; D286-D289 PolarHBondContact OD1-N 2.88Å; E287-D289 PolarHBondContact O-N 3.22Å; D289-L291 PolarHBondContact O-N 3.32Å; D289-L291 VanDerWaalsContact O-N 3.13Å; D289-L291 PolarHBondContact OD1-N 3.5Å; D289-W292 HydrophobicContact CB-CB 3.81Å; D289-W292 WeakPolarHBondContact O-CB 3.19Å; D289-W292 PolarHBondContact O-N 2.95Å; D289-T293 PolarHBondContact O-N 3.03Å; D289-T293 PolarHBondContact O-OG1 3.48Å; D289-K347 VanDerWaalsContact OD1-CD 3.24Å; D289-K347 WeakPolarHBondContact OD1-CD 3.34Å; D289-K347 VanDerWaalsContact OD1-CE 3.29Å; D289-K347 WeakPolarHBondContact OD1-CE 3.3Å; D289-K347 IonicContact OD1-NZ 3.88Å; D289-K347 PolarHBondContact OD1-NZ 3.49Å; D289-H351 IonicContact OD2-CD2 3.37Å; D289-H351 IonicContact OD2-CE1 2.81Å; D289-H351 IonicContact OD2-NE2 3.18Å; D289-H351 PolarHBondContact OD2-NE2 2.79Å
290D92.3Very high94.1Very high78 Ų7846.6 Ų46.642%0.41723%0.234SC..Hα-helixtrans-52.3-34.5173.5-58.6-48.8000113.4T2 T293 E294T2-D290 WeakPolarHBondContact CB-OD1 3.48Å; T2-D290 HydrophobicContact CG2-CB 4.42Å; T2-D290 PolarHBondContact OG1-OD1 3.02Å; D290-T293 PolarHBondContact O-N 2.73Å; D290-E294 PolarHBondContact O-N 3.44Å
291L95.1Very high94.5Very high19 Ų1943.3 Ų43.310%0.09922%0.224CC..Hα-helixtrans-73-38.4-179.9-174.356.2000110.8D289 E294 L295 K347 Y348 H351D289-L291 PolarHBondContact O-N 3.32Å; D289-L291 VanDerWaalsContact O-N 3.13Å; D289-L291 PolarHBondContact OD1-N 3.5Å; L291-E294 PolarHBondContact O-N 2.94Å; L291-L295 HydrophobicContact CD1-CD1 3.66Å; L291-L295 HydrophobicContact CD1-CG 4.01Å; L291-L295 HydrophobicContact CG-CD1 3.68Å; L291-L295 HydrophobicContact CG-CG 4.41Å; L291-L295 WeakPolarHBondContact O-CB 3.32Å; L291-L295 WeakPolarHBondContact O-CD1 3.22Å; L291-L295 WeakPolarHBondContact O-CG 3.43Å; L291-L295 PolarHBondContact O-N 2.94Å; L291-K347 HydrophobicContact CD2-CB 4.44Å; L291-Y348 HydrophobicContact CD2-CD1 3.64Å; L291-Y348 HydrophobicContact CD2-CE1 3.8Å; L291-Y348 HydrophobicContact CD2-CG 4.16Å; L291-H351 VanDerWaalsContact CD2-CD2 3.49Å; L291-H351 WeakPolarHBondContact CD2-CD2 3.34Å
292W97.2Very high94.8Very high1 Ų142.9 Ų42.90%0.00423%0.225CC..Hα-helixtrans-59.6-48.3171.3176-117.8000111.1F253 Q254 Y258 L285 D289 E294 L295 R296 H351 L354F253-W292 HydrophobicContact CD1-CE3 4.22Å; F253-W292 AromaticContact CD1-CZ3 3.83Å; F253-W292 HydrophobicContact CD1-CZ3 3.83Å; F253-W292 HydrophobicContact CE1-CE3 4.1Å; F253-W292 AromaticContact CE1-CZ3 3.85Å; F253-W292 HydrophobicContact CE1-CZ3 3.85Å; F253-W292 HydrophobicContact CG-CZ3 4.49Å; Q254-W292 HydrophobicContact CB-CH2 3.76Å; Q254-W292 HydrophobicContact CB-CZ2 3.8Å; Q254-W292 HydrophobicContact CG-CH2 4.09Å; Q254-W292 HydrophobicContact CG-CZ2 3.72Å; Y258-W292 HydrophobicContact CE2-CH2 4.18Å; Y258-W292 HydrophobicContact CE2-CZ2 4.01Å; L285-W292 HydrophobicContact CB-CD2 4.35Å; L285-W292 HydrophobicContact CB-CZ2 4.1Å; L285-W292 HydrophobicContact CD1-CH2 3.96Å; L285-W292 HydrophobicContact CD1-CZ2 4.24Å; L285-W292 HydrophobicContact CD1-CZ3 4.28Å; L285-W292 HydrophobicContact CD2-CD2 4.47Å; L285-W292 HydrophobicContact CD2-CE3 4.3Å; L285-W292 HydrophobicContact CD2-CZ3 4.48Å; D289-W292 HydrophobicContact CB-CB 3.81Å; D289-W292 WeakPolarHBondContact O-CB 3.19Å; D289-W292 PolarHBondContact O-N 2.95Å; W292-E294 VanDerWaalsContact C-N 3.26Å; W292-E294 PolarHBondContact O-N 3.14Å; W292-L295 PolarHBondContact O-N 3.32Å; W292-R296 HydrophobicContact CD2-CB 4.22Å; W292-R296 HydrophobicContact CZ2-CB 4.23Å; W292-R296 VanDerWaalsContact O-CB 3.3Å; W292-R296 WeakPolarHBondContact O-CB 3.38Å; W292-R296 PolarHBondContact O-N 3.42Å; W292-H351 AromaticContact CE3-CE1 3.72Å; W292-L354 HydrophobicContact CE3-CD2 4.46Å; W292-L354 HydrophobicContact CH2-CD2 4.45Å; W292-L354 HydrophobicContact CZ3-CD2 3.73Å
293T96Very high95Very high41 Ų4136.7 Ų36.725%0.25220%0.197SC..Hα-helixtrans-59.3-36.5179.5-52.40000112.1D289 D290D289-T293 PolarHBondContact O-N 3.03Å; D289-T293 PolarHBondContact O-OG1 3.48Å; D290-T293 PolarHBondContact O-N 2.73Å
294E96.4Very high94.9Very high115 Ų11537.2 Ų37.254%0.53720%0.202SC..Hα-helixtrans-72.2-34.9176.1-163-164.2137.500112.9D290 L291 W292 K298D290-E294 PolarHBondContact O-N 3.44Å; L291-E294 PolarHBondContact O-N 2.94Å; W292-E294 VanDerWaalsContact C-N 3.26Å; W292-E294 PolarHBondContact O-N 3.14Å; E294-K298 WeakPolarHBondContact O-CE 3.5Å; E294-K298 IonicContact OE1-NZ 3.38Å; E294-K298 PolarHBondContact OE1-NZ 3.32Å
295L98Very high94.9Very high1 Ų139.6 Ų39.61%0.00521%0.21CC..Hα-helixtrans-95.6-27.7-170.2-64.7172.7000114.1F253 L291 W292 H297 K298 E306 V307 H351F253-L295 WeakPolarHBondContact CB-O 3.36Å; F253-L295 HydrophobicContact CD1-CB 3.77Å; F253-L295 HydrophobicContact CE1-CB 4.11Å; F253-L295 HydrophobicContact CE1-CD1 4.36Å; L291-L295 HydrophobicContact CD1-CD1 3.66Å; L291-L295 HydrophobicContact CD1-CG 4.01Å; L291-L295 HydrophobicContact CG-CD1 3.68Å; L291-L295 HydrophobicContact CG-CG 4.41Å; L291-L295 WeakPolarHBondContact O-CB 3.32Å; L291-L295 WeakPolarHBondContact O-CD1 3.22Å; L291-L295 WeakPolarHBondContact O-CG 3.43Å; L291-L295 PolarHBondContact O-N 2.94Å; W292-L295 PolarHBondContact O-N 3.32Å; L295-H297 PolarHBondContact O-N 3.1Å; L295-K298 HydrophobicContact CD2-CD 4.11Å; L295-K298 WeakPolarHBondContact O-CB 3.48Å; L295-K298 PolarHBondContact O-N 2.96Å; L295-E306 HydrophobicContact CD2-CB 4.08Å; L295-V307 HydrophobicContact CD1-CG2 3.43Å; L295-V307 VanDerWaalsContact CD1-CG2 3.43Å; L295-V307 HydrophobicContact CD2-CG2 4.29Å; L295-H351 HydrophobicContact CD1-CB 4.04Å
296R98.1Very high95Very high4 Ų442 Ų422%0.01522%0.222CC..THydrogen-bonded Turntrans-52.6-33.2-166.561.1171-172.4-146.7-8.5114.7E145 S146 F253 Q254 E287 W292 Y577E145-R296 VanDerWaalsContact CD-CZ 3.47Å; E145-R296 WeakPolarHBondContact OE1-CD 3.49Å; E145-R296 IonicContact OE1-CZ 2.78Å; E145-R296 IonicContact OE1-NE 2.81Å; E145-R296 IonicContact OE1-NH1 3.7Å; E145-R296 PolarHBondContact OE1-NH1 3.49Å; E145-R296 IonicContact OE2-CZ 2.87Å; E145-R296 IonicContact OE2-NE 3.43Å; E145-R296 IonicContact OE2-NH1 3.87Å; E145-R296 PolarHBondContact OE2-NH1 2.98Å; E145-R296 IonicContact OE2-NH2 3.37Å; S146-R296 PolarHBondContact OG-NH2 2.88Å; F253-R296 PolarHBondContact N-O 2.87Å; Q254-R296 HydrophobicContact CB-CB 3.87Å; Q254-R296 WeakPolarHBondContact CB-O 3.38Å; Q254-R296 PolarHBondContact N-O 2.71Å; E287-R296 IonicContact OE1-CZ 3.31Å; E287-R296 IonicContact OE1-NH1 3.69Å; E287-R296 PolarHBondContact OE1-NH1 3.27Å; E287-R296 IonicContact OE1-NH2 3.5Å; E287-R296 PolarHBondContact OE1-NH2 3.34Å; E287-R296 VanDerWaalsContact OE1-NH2 3.08Å; W292-R296 HydrophobicContact CD2-CB 4.22Å; W292-R296 HydrophobicContact CZ2-CB 4.23Å; W292-R296 VanDerWaalsContact O-CB 3.3Å; W292-R296 WeakPolarHBondContact O-CB 3.38Å; W292-R296 PolarHBondContact O-N 3.42Å; R296-Y577 VanDerWaalsContact NH2-CE1 3.26Å; R296-Y577 PolarHBondContact NH2-OH 2.87Å
297H98.1Very high95.1Very high43 Ų4340.2 Ų40.220%0.19921%0.212CC..THydrogen-bonded Turntrans-102.5-0-179.2-60.1-29.5000114Q254 L295 R574 Y577Q254-H297 PolarHBondContact OE1-CE1 3.34Å; L295-H297 PolarHBondContact O-N 3.1Å; H297-R574 HydrophobicContact CB-CG 3.97Å; H297-Y577 AromaticContact CD2-CD2 3.84Å; H297-Y577 AromaticContact CD2-CG 3.91Å; H297-Y577 AromaticContact CE1-CD2 3.94Å; H297-Y577 AromaticContact NE2-CD2 3.07Å; H297-Y577 WeakPolarHBondContact NE2-CD2 3.4Å; H297-Y577 AromaticContact NE2-CE2 3.53Å; H297-Y577 AromaticContact NE2-CG 3.59Å
298K97.6Very high95.2Very high50 Ų5039.1 Ų39.122%0.21721%0.209CC..SBendtrans-76150.1174.4-64.9-171.1-173.9170.80110T252 F253 E294 L295 V302 V303 E306T252-K298 WeakPolarHBondContact CA-O 3.43Å; F253-K298 PolarHBondContact N-O 3.34Å; E294-K298 WeakPolarHBondContact O-CE 3.5Å; E294-K298 IonicContact OE1-NZ 3.38Å; E294-K298 PolarHBondContact OE1-NZ 3.32Å; L295-K298 HydrophobicContact CD2-CD 4.11Å; L295-K298 WeakPolarHBondContact O-CB 3.48Å; L295-K298 PolarHBondContact O-N 2.96Å; K298-V302 HydrophobicContact CB-CG2 4.24Å; K298-V303 HydrophobicContact CB-CG2 4.29Å; K298-E306 HydrophobicContact CD-CG 4.3Å; K298-E306 IonicContact NZ-OE2 2.66Å; K298-E306 PolarHBondContact NZ-OE2 3.09Å
299H97.9Very high95.4Very high25 Ų2542.1 Ų42.112%0.11622%0.218CC..BIsolated β-bridgetrans-69.8138.9175.5-168.7-89000111.2L251 A301 V302 V303 Y477 S480L251-H299 WeakPolarHBondContact CB-NE2 3.46Å; H299-A301 VanDerWaalsContact ND1-CB 3.33Å; H299-A301 WeakPolarHBondContact ND1-CB 3.5Å; H299-A301 PolarHBondContact ND1-N 2.79Å; H299-A301 PolarHBondContact O-N 2.93Å; H299-V302 WeakPolarHBondContact O-CG2 3.45Å; H299-V302 PolarHBondContact O-N 3.07Å; H299-V303 WeakPolarHBondContact O-CG2 3.44Å; H299-Y477 HydrophobicContact CB-CD2 4.13Å; H299-Y477 HydrophobicContact CB-CE2 3.6Å; H299-Y477 AromaticContact CD2-CD2 3.47Å; H299-Y477 VanDerWaalsContact CD2-CD2 3.47Å; H299-Y477 WeakPolarHBondContact CD2-CD2 3.43Å; H299-Y477 AromaticContact CD2-CE2 3.87Å; H299-Y477 AromaticContact CE1-CD1 3.82Å; H299-Y477 AromaticContact CE1-CD2 3.63Å; H299-Y477 AromaticContact CE1-CE2 3.98Å; H299-Y477 AromaticContact CE1-CG 3.54Å; H299-Y477 AromaticContact CG-CD2 3.47Å; H299-Y477 VanDerWaalsContact CG-CD2 3.47Å; H299-Y477 AromaticContact CG-CE2 3.36Å; H299-Y477 AromaticContact ND1-CD2 3.57Å; H299-Y477 AromaticContact ND1-CE1 3.93Å; H299-Y477 AromaticContact ND1-CE2 3.45Å; H299-Y477 WeakPolarHBondContact ND1-CE2 3.29Å; H299-Y477 AromaticContact ND1-CG 3.87Å; H299-Y477 AromaticContact ND1-CZ 3.64Å; H299-Y477 AromaticContact NE2-CD2 3.56Å; H299-Y477 AromaticContact NE2-CG 3.65Å; H299-S480 PolarHBondContact CD2-OG 3.42Å; H299-S480 PolarHBondContact NE2-OG 3.27Å
300I97.6Very high95.4Very high8 Ų842.7 Ų42.74%0.04123%0.227CC..Hα-helixtrans-53.1-35.1-174.5-170.963000113.2L251 F253 M256 V302 V303 A355 C358 M359L251-I300 HydrophobicContact CB-CG2 4.24Å; L251-I300 PolarHBondContact O-N 3.32Å; F253-I300 HydrophobicContact CD2-CD1 3.96Å; F253-I300 HydrophobicContact CE2-CD1 4.3Å; M256-I300 HydrophobicContact CE-CG1 4.25Å; M256-I300 HydrophobicContact CE-CG2 4.4Å; M256-I300 HydrophobicContact SD-CB 3.59Å; M256-I300 VanDerWaalsContact SD-CB 3.59Å; M256-I300 HydrophobicContact SD-CD1 4.11Å; M256-I300 HydrophobicContact SD-CG1 3.59Å; M256-I300 VanDerWaalsContact SD-CG1 3.59Å; M256-I300 HydrophobicContact SD-CG2 3.73Å; I300-V302 PolarHBondContact O-N 3.26Å; I300-V303 HydrophobicContact CD1-CB 4.45Å; I300-V303 PolarHBondContact O-N 2.99Å; I300-V303 VanDerWaalsContact O-N 3.16Å; I300-A355 HydrophobicContact CD1-CB 4.19Å; I300-C358 HydrophobicContact CD1-CB 4.02Å; I300-M359 HydrophobicContact CG1-CG 4Å; I300-M359 HydrophobicContact CG1-SD 3.62Å; I300-M359 HydrophobicContact CG2-SD 4.23Å
301A95.9Very high95.3Very high50 Ų5039.2 Ų39.241%0.41321%0.208SC..Hα-helixtrans-56.9-23.8179.200000114.7H299 Y477H299-A301 VanDerWaalsContact ND1-CB 3.33Å; H299-A301 WeakPolarHBondContact ND1-CB 3.5Å; H299-A301 PolarHBondContact ND1-N 2.79Å; H299-A301 PolarHBondContact O-N 2.93Å; A301-Y477 HydrophobicContact CB-CD1 4.36Å; A301-Y477 HydrophobicContact CB-CE1 3.6Å
302V96.4Very high95Very high43 Ų4341 Ų4126%0.26122%0.215SC..Hα-helixtrans-108.9-13.5178.8-62.70000113.6K298 H299 I300 S304 Q305 E306 Y477K298-V302 HydrophobicContact CB-CG2 4.24Å; H299-V302 WeakPolarHBondContact O-CG2 3.45Å; H299-V302 PolarHBondContact O-N 3.07Å; I300-V302 PolarHBondContact O-N 3.26Å; V302-S304 PolarHBondContact O-N 3.15Å; V302-Q305 PolarHBondContact O-N 3.21Å; V302-E306 HydrophobicContact CB-CG 4.43Å; V302-E306 WeakPolarHBondContact O-CB 3.46Å; V302-E306 WeakPolarHBondContact O-CG 3.42Å; V302-E306 PolarHBondContact O-N 3.25Å; V302-Y477 WeakPolarHBondContact CG1-OH 3.28Å
303V96.9Very high94.6Very high0 Ų047 Ų470%024%0.241CC..Hα-helixtrans-58.5-53-172172.60000111.4F253 K298 H299 I300 Q305 E306 V307 A355F253-V303 HydrophobicContact CB-CG2 3.88Å; F253-V303 HydrophobicContact CD1-CG1 3.97Å; F253-V303 HydrophobicContact CD1-CG2 4.3Å; F253-V303 HydrophobicContact CD2-CG1 4.12Å; F253-V303 HydrophobicContact CD2-CG2 4.23Å; F253-V303 HydrophobicContact CE1-CG1 3.83Å; F253-V303 HydrophobicContact CE2-CG1 3.99Å; F253-V303 HydrophobicContact CG-CG1 4.11Å; F253-V303 HydrophobicContact CG-CG2 3.9Å; F253-V303 HydrophobicContact CZ-CG1 3.82Å; K298-V303 HydrophobicContact CB-CG2 4.29Å; H299-V303 WeakPolarHBondContact O-CG2 3.44Å; I300-V303 HydrophobicContact CD1-CB 4.45Å; I300-V303 PolarHBondContact O-N 2.99Å; I300-V303 VanDerWaalsContact O-N 3.16Å; V303-Q305 PolarHBondContact O-N 3.46Å; V303-E306 PolarHBondContact O-N 3.11Å; V303-E306 VanDerWaalsContact O-N 3.15Å; V303-V307 HydrophobicContact CG1-CG2 4.12Å; V303-V307 WeakPolarHBondContact O-CG2 3.18Å; V303-V307 PolarHBondContact O-N 3.29Å; V303-A355 HydrophobicContact CG1-CB 3.94Å
304S92.9Very high94.2Very high46 Ų4646.3 Ų46.332%0.32224%0.235SC..Hα-helixtrans-60.3-35.7-178.8-52.40000112.7V302 T308V302-S304 PolarHBondContact O-N 3.15Å; S304-T308 WeakPolarHBondContact O-CB 3.41Å; S304-T308 PolarHBondContact O-N 2.79Å; S304-T308 PolarHBondContact O-OG1 3.03Å
305Q93Very high93.7Very high135 Ų13541 Ų4163%0.63121%0.21SC*.Hα-helixtrans-68.9-44.9177.3-63.4-178.20.600111V302 V303 T308 K309V302-Q305 PolarHBondContact O-N 3.21Å; V303-Q305 PolarHBondContact O-N 3.46Å; Q305-T308 PolarHBondContact O-N 2.9Å; Q305-K309 VanDerWaalsContact O-CB 3.28Å; Q305-K309 WeakPolarHBondContact O-CB 3.32Å; Q305-K309 PolarHBondContact O-N 3.46Å
306E95.3Very high93.1Very high57 Ų5745.8 Ų45.827%0.26623%0.232SC..Hα-helixtrans-65.7-41.2178.9-72.4-73.3112.100111.8L295 K298 V302 V303 T308 K309 G310L295-E306 HydrophobicContact CD2-CB 4.08Å; K298-E306 HydrophobicContact CD-CG 4.3Å; K298-E306 IonicContact NZ-OE2 2.66Å; K298-E306 PolarHBondContact NZ-OE2 3.09Å; V302-E306 HydrophobicContact CB-CG 4.43Å; V302-E306 WeakPolarHBondContact O-CB 3.46Å; V302-E306 WeakPolarHBondContact O-CG 3.42Å; V302-E306 PolarHBondContact O-N 3.25Å; V303-E306 PolarHBondContact O-N 3.11Å; V303-E306 VanDerWaalsContact O-N 3.15Å; E306-T308 PolarHBondContact O-N 3.44Å; E306-K309 PolarHBondContact O-N 2.93Å; E306-K309 IonicContact OE1-NZ 3.96Å; E306-G310 PolarHBondContact O-N 3.33Å
307V93.8Very high92.5Very high0 Ų051.2 Ų51.20%026%0.262CS..Hα-helixtrans-60.8-46.1173.6178.90000110.6L295 V303 G310 L311 Y348 H351 L352L295-V307 HydrophobicContact CD1-CG2 3.43Å; L295-V307 VanDerWaalsContact CD1-CG2 3.43Å; L295-V307 HydrophobicContact CD2-CG2 4.29Å; V303-V307 HydrophobicContact CG1-CG2 4.12Å; V303-V307 WeakPolarHBondContact O-CG2 3.18Å; V303-V307 PolarHBondContact O-N 3.29Å; V307-G310 PolarHBondContact O-N 2.95Å; V307-L311 WeakPolarHBondContact O-CB 3.31Å; V307-L311 PolarHBondContact O-N 3.24Å; V307-Y348 HydrophobicContact CG1-CD1 3.96Å; V307-H351 HydrophobicContact CG1-CB 4.35Å; V307-H351 HydrophobicContact CG2-CB 3.92Å; V307-L352 HydrophobicContact CB-CD2 3.77Å; V307-L352 HydrophobicContact CB-CG 4.38Å; V307-L352 HydrophobicContact CG1-CD2 3.55Å; V307-L352 HydrophobicContact CG1-CG 3.59Å
308T91.4Very high91.7Very high23 Ų2354.5 Ų54.514%0.14128%0.275CS..Hα-helixtrans-65-40.9179.1-56.10000111.7S304 Q305 E306 L311 K312 K326S304-T308 WeakPolarHBondContact O-CB 3.41Å; S304-T308 PolarHBondContact O-N 2.79Å; S304-T308 PolarHBondContact O-OG1 3.03Å; Q305-T308 PolarHBondContact O-N 2.9Å; E306-T308 PolarHBondContact O-N 3.44Å; T308-L311 PolarHBondContact O-N 3.43Å; T308-K312 WeakPolarHBondContact O-CG 3.37Å; T308-K312 PolarHBondContact O-N 2.82Å; T308-K326 HydrophobicContact CG2-CG 4.11Å
309K92.1Very high90.4Very high135 Ų13557.1 Ų57.159%0.58728%0.284SS*.Hα-helixtrans-64.6-43176-179-178.5172.8-170.40111.7Q305 E306 L311 K312 K313Q305-K309 VanDerWaalsContact O-CB 3.28Å; Q305-K309 WeakPolarHBondContact O-CB 3.32Å; Q305-K309 PolarHBondContact O-N 3.46Å; E306-K309 PolarHBondContact O-N 2.93Å; E306-K309 IonicContact OE1-NZ 3.96Å; K309-L311 VanDerWaalsContact C-N 3.35Å; K309-K312 PolarHBondContact O-N 3.35Å; K309-K313 PolarHBondContact O-N 3.14Å
310G92.1Very high88.9Confident23 Ų2359.2 Ų59.224%0.23731%0.312CS..Hα-helixtrans-60.3-43.8173.500000112E306 V307 K312 K313 F314 Y348E306-G310 PolarHBondContact O-N 3.33Å; V307-G310 PolarHBondContact O-N 2.95Å; G310-K312 PolarHBondContact O-N 3.49Å; G310-K313 PolarHBondContact O-N 3.27Å; G310-F314 WeakPolarHBondContact O-CB 3.27Å; G310-F314 PolarHBondContact O-N 2.83Å; G310-Y348 VanDerWaalsContact C-CE1 3.49Å; G310-Y348 PolarHBondContact O-OH 3.32Å
311L89.7Confident87.2Confident4 Ų462.6 Ų62.62%0.02133%0.329CS..Hα-helixtrans-60.6-46.3175.8177.863.8000111.7V307 T308 K309 K313 F314 M315 L331 L345 Y348V307-L311 WeakPolarHBondContact O-CB 3.31Å; V307-L311 PolarHBondContact O-N 3.24Å; T308-L311 PolarHBondContact O-N 3.43Å; K309-L311 VanDerWaalsContact C-N 3.35Å; L311-K313 PolarHBondContact O-N 3.19Å; L311-F314 PolarHBondContact O-N 2.91Å; L311-M315 HydrophobicContact CD1-CG 4.3Å; L311-M315 VanDerWaalsContact O-CG 3.27Å; L311-M315 WeakPolarHBondContact O-CG 3.31Å; L311-M315 PolarHBondContact O-N 3.2Å; L311-L331 HydrophobicContact CD1-CD2 3.98Å; L311-L331 HydrophobicContact CD2-CD1 4.06Å; L311-L331 HydrophobicContact CD2-CD2 3.8Å; L311-L331 HydrophobicContact CD2-CG 3.92Å; L311-L345 HydrophobicContact CD1-CD2 3.81Å; L311-Y348 HydrophobicContact CB-CD1 3.84Å; L311-Y348 HydrophobicContact CB-CE1 4.09Å; L311-Y348 HydrophobicContact CB-CG 4.17Å; L311-Y348 HydrophobicContact CD1-CD2 3.94Å; L311-Y348 HydrophobicContact CD1-CE2 4.41Å; L311-Y348 HydrophobicContact CD1-CG 4.01Å; L311-Y348 VanDerWaalsContact N-CE1 3.25Å
312K88Confident85.5Confident56 Ų5664.3 Ų64.324%0.24334%0.344CS..Hα-helixtrans-57.4-49.9176.8-74.8-174171.4-159.20111.5T308 K309 G310 F314 M315 E316 S323 D324T308-K312 WeakPolarHBondContact O-CG 3.37Å; T308-K312 PolarHBondContact O-N 2.82Å; K309-K312 PolarHBondContact O-N 3.35Å; G310-K312 PolarHBondContact O-N 3.49Å; K312-F314 VanDerWaalsContact C-N 3.33Å; K312-F314 PolarHBondContact O-N 2.57Å; K312-M315 PolarHBondContact O-N 2.81Å; K312-M315 VanDerWaalsContact O-N 3.17Å; K312-E316 WeakPolarHBondContact O-CG 3.18Å; K312-E316 PolarHBondContact O-N 3.05Å; K312-S323 WeakPolarHBondContact CE-O 3.36Å; K312-D324 IonicContact NZ-OD1 2.66Å; K312-D324 PolarHBondContact NZ-OD1 3.35Å
313K89.3Confident83.9Confident129 Ų12963.2 Ų63.256%0.56134%0.338SS*.Hα-helixtrans-59-43.6177.2-175.4179.6177.2-177.90112.1K309 G310 L311 M315 E316 D317K309-K313 PolarHBondContact O-N 3.14Å; G310-K313 PolarHBondContact O-N 3.27Å; L311-K313 PolarHBondContact O-N 3.19Å; K313-M315 VanDerWaalsContact C-N 3.32Å; K313-M315 PolarHBondContact O-N 2.91Å; K313-E316 PolarHBondContact O-N 3.45Å; K313-D317 WeakPolarHBondContact O-CB 3.39Å; K313-D317 VanDerWaalsContact O-CG 3.31Å; K313-D317 PolarHBondContact O-N 3.08Å
314F88.7Confident82.4Confident26 Ų2668.1 Ų68.111%0.11436%0.364CS..Hα-helixtrans-59.7-42.3176.7174.2-96.8000112.3G310 L311 K312 K318 Y341 E344 L345 Y348G310-F314 WeakPolarHBondContact O-CB 3.27Å; G310-F314 PolarHBondContact O-N 2.83Å; L311-F314 PolarHBondContact O-N 2.91Å; K312-F314 VanDerWaalsContact C-N 3.33Å; K312-F314 PolarHBondContact O-N 2.57Å; F314-K318 HydrophobicContact CD2-CG 4.27Å; F314-K318 HydrophobicContact CE2-CG 3.98Å; F314-K318 HydrophobicContact CZ-CG 4.11Å; F314-K318 WeakPolarHBondContact O-CB 3.5Å; F314-K318 VanDerWaalsContact O-CG 3.3Å; F314-K318 WeakPolarHBondContact O-CG 3.48Å; F314-K318 PolarHBondContact O-N 2.87Å; F314-K318 VanDerWaalsContact O-N 3.13Å; F314-Y341 HydrophobicContact CE1-CG 4.41Å; F314-Y341 AromaticContact CZ-CD1 3.99Å; F314-Y341 HydrophobicContact CZ-CD1 3.99Å; F314-Y341 HydrophobicContact CZ-CG 4.08Å; F314-E344 HydrophobicContact CE1-CB 4.37Å; F314-E344 HydrophobicContact CE2-CB 3.89Å; F314-E344 HydrophobicContact CE2-CG 3.94Å; F314-E344 HydrophobicContact CZ-CB 3.66Å; F314-E344 HydrophobicContact CZ-CG 4.05Å; F314-L345 HydrophobicContact CE1-CD2 4.24Å; F314-Y348 HydrophobicContact CB-CE2 4.16Å; F314-Y348 HydrophobicContact CD1-CE2 4.42Å; F314-Y348 HydrophobicContact CG-CE2 4.15Å
315M84.5Confident81Confident4 Ų466.7 Ų66.72%0.0235%0.354CS..Hα-helixtrans-68.5-38.9178.7-66.7-61.9-64.800112.4L311 K312 K313 R319 L334 M338 L345L311-M315 HydrophobicContact CD1-CG 4.3Å; L311-M315 VanDerWaalsContact O-CG 3.27Å; L311-M315 WeakPolarHBondContact O-CG 3.31Å; L311-M315 PolarHBondContact O-N 3.2Å; K312-M315 PolarHBondContact O-N 2.81Å; K312-M315 VanDerWaalsContact O-N 3.17Å; K313-M315 VanDerWaalsContact C-N 3.32Å; K313-M315 PolarHBondContact O-N 2.91Å; M315-R319 PolarHBondContact O-N 3Å; M315-L334 HydrophobicContact CE-CD2 4.03Å; M315-M338 HydrophobicContact CE-CE 3.65Å; M315-M338 HydrophobicContact CE-SD 3.87Å; M315-L345 HydrophobicContact SD-CD2 4.43Å
316E85.4Confident79.7Confident100 Ų10066.1 Ų66.147%0.46735%0.35SS..Hα-helixtrans-62.7-51.5174.1-72.9169.7-174.600111K312 K313 K318 G320K312-E316 WeakPolarHBondContact O-CG 3.18Å; K312-E316 PolarHBondContact O-N 3.05Å; K313-E316 PolarHBondContact O-N 3.45Å; E316-K318 VanDerWaalsContact C-N 3.28Å; E316-K318 PolarHBondContact O-N 3.01Å; E316-G320 WeakPolarHBondContact O-CA 3.2Å; E316-G320 PolarHBondContact O-N 2.81Å
317D85.8Confident78.4Confident119 Ų11965.6 Ų65.664%0.63635%0.352SS*.Hα-helixtrans-62.2-32.9-178.1-73.7-14.2000112.8K313K313-D317 WeakPolarHBondContact O-CB 3.39Å; K313-D317 VanDerWaalsContact O-CG 3.31Å; K313-D317 PolarHBondContact O-N 3.08Å
318K82.2Confident77.3Confident111 Ų11167.8 Ų67.848%0.48336%0.363SS..Hα-helixtrans-94.4-22.3-175.2-64-56.9-177.9-172.70114.8F314 E316 Y341F314-K318 HydrophobicContact CD2-CG 4.27Å; F314-K318 HydrophobicContact CE2-CG 3.98Å; F314-K318 HydrophobicContact CZ-CG 4.11Å; F314-K318 WeakPolarHBondContact O-CB 3.5Å; F314-K318 VanDerWaalsContact O-CG 3.3Å; F314-K318 WeakPolarHBondContact O-CG 3.48Å; F314-K318 PolarHBondContact O-N 2.87Å; F314-K318 VanDerWaalsContact O-N 3.13Å; E316-K318 VanDerWaalsContact C-N 3.28Å; E316-K318 PolarHBondContact O-N 3.01Å; K318-Y341 HydrophobicContact CB-CE2 4.31Å; K318-Y341 HydrophobicContact CD-CE1 4.34Å; K318-Y341 HydrophobicContact CG-CE1 4.36Å
319R70.5Confident76.6Confident106 Ų10674.7 Ų74.740%0.439%0.391SS..Hα-helixtrans-140.4-7.8-174.1-69.6-159.9171.7-1534.3115.8M315 I321 M338M315-R319 PolarHBondContact O-N 3Å; R319-I321 HydrophobicContact CB-CB 4.27Å; R319-I321 HydrophobicContact CB-CD1 3.81Å; R319-I321 HydrophobicContact CB-CG1 3.83Å; R319-I321 HydrophobicContact CG-CD1 4.46Å; R319-I321 PolarHBondContact O-N 3.04Å; R319-M338 VanDerWaalsContact CZ-SD 3.55Å; R319-M338 PolarHBondContact NE-SD 3.29Å; R319-M338 VanDerWaalsContact NE-SD 3.43Å
320G64.8Low75.8Confident69 Ų6971 Ų7171%0.71138%0.378SS*.  trans60.420.4-170.600000113.2E316E316-G320 WeakPolarHBondContact O-CA 3.2Å; E316-G320 PolarHBondContact O-N 2.81Å
321I62.8Low75.2Confident78 Ų7869.9 Ų69.940%0.437%0.367SS..  trans-96.8115177.9-62.9172.2000107.4R319 S323R319-I321 HydrophobicContact CB-CB 4.27Å; R319-I321 HydrophobicContact CB-CD1 3.81Å; R319-I321 HydrophobicContact CB-CG1 3.83Å; R319-I321 HydrophobicContact CG-CD1 4.46Å; R319-I321 PolarHBondContact O-N 3.04Å; I321-S323 PolarHBondContact O-N 3.4Å
322A61.1Low74.7Confident87 Ų8771.4 Ų71.472%0.71938%0.378SS*.  trans-65.599.7164.500000108.1
323S61.6Low74.4Confident20 Ų2072.5 Ų72.514%0.1439%0.386CS..  trans-92.9127.2176.1-172.50000109.7K312 I321 S325K312-S323 WeakPolarHBondContact CE-O 3.36Å; I321-S323 PolarHBondContact O-N 3.4Å; S323-S325 VanDerWaalsContact C-N 3.28Å; S323-S325 WeakPolarHBondContact OG-CB 2.88Å; S323-S325 PolarHBondContact OG-N 3.43Å; S323-S325 PolarHBondContact OG-OG 2.83Å
324D64.8Low74.1Confident103 Ų10367.3 Ų67.355%0.55136%0.364SS*.  trans-95.219.2172.9-140.823.6000112.5K312 K326K312-D324 IonicContact NZ-OD1 2.66Å; K312-D324 PolarHBondContact NZ-OD1 3.35Å; D324-K326 WeakPolarHBondContact O-CG 3.39Å; D324-K326 PolarHBondContact O-N 2.92Å; D324-K326 WeakPolarHBondContact OD1-CE 3.49Å; D324-K326 IonicContact OD1-NZ 2.84Å; D324-K326 PolarHBondContact OD1-NZ 3.44Å; D324-K326 IonicContact OD2-NZ 3.92Å; D324-K326 PolarHBondContact OD2-NZ 3.09Å
325S63.4Low73.8Confident16 Ų1667.1 Ų67.111%0.11237%0.365CS..  trans-58.5116.6175.5-62.70000111.1S323 L334S323-S325 VanDerWaalsContact C-N 3.28Å; S323-S325 WeakPolarHBondContact OG-CB 2.88Å; S323-S325 PolarHBondContact OG-N 3.43Å; S323-S325 PolarHBondContact OG-OG 2.83Å; S325-L334 WeakPolarHBondContact OG-CD1 3.21Å
326K66Low73.9Confident123 Ų12374 Ų7454%0.53539%0.394SS..  trans-123.7-6.3-178.2-70.7164.4-168.6159.80112.3T308 D324 D330T308-K326 HydrophobicContact CG2-CG 4.11Å; D324-K326 WeakPolarHBondContact O-CG 3.39Å; D324-K326 PolarHBondContact O-N 2.92Å; D324-K326 WeakPolarHBondContact OD1-CE 3.49Å; D324-K326 IonicContact OD1-NZ 2.84Å; D324-K326 PolarHBondContact OD1-NZ 3.44Å; D324-K326 IonicContact OD2-NZ 3.92Å; D324-K326 PolarHBondContact OD2-NZ 3.09Å; K326-D330 PolarHBondContact N-OD2 3.2Å
327S68.5Low73.9Confident45 Ų4576.9 Ų76.932%0.31541%0.405SS..SBendtrans-123.2157.4-172.976.80000113.3K329 D330 L331S327-K329 PolarHBondContact O-N 2.74Å; S327-D330 PolarHBondContact N-OD2 3.46Å; S327-D330 VanDerWaalsContact N-OD2 3.14Å; S327-D330 WeakPolarHBondContact O-CB 3.36Å; S327-D330 PolarHBondContact O-N 3.43Å; S327-D330 VanDerWaalsContact O-N 3.13Å; S327-D330 PolarHBondContact OG-N 2.88Å; S327-D330 PolarHBondContact OG-OD2 3.15Å; S327-L331 PolarHBondContact O-N 3.15Å
328I71.6Confident73.8Confident46 Ų4671.8 Ų71.824%0.23638%0.378CS..Hα-helixtrans-60.4-34.1173.6-67.1164.8000111.4D330 L331 S332 L352 H353 E356I328-D330 VanDerWaalsContact C-N 3.31Å; I328-D330 PolarHBondContact O-N 3.24Å; I328-L331 WeakPolarHBondContact O-CB 3.42Å; I328-L331 PolarHBondContact O-N 2.74Å; I328-S332 PolarHBondContact O-N 3.07Å; I328-L352 HydrophobicContact CD1-CB 4.44Å; I328-L352 HydrophobicContact CG1-CB 4Å; I328-L352 HydrophobicContact CG1-CD1 4.41Å; I328-H353 HydrophobicContact CD1-CB 4.17Å; I328-E356 WeakPolarHBondContact CD1-OE2 3.38Å
329K74.8Confident74Confident168 Ų16870.5 Ų70.573%0.7338%0.38SS*.Hα-helixtrans-62.2-40.2175.7-69.3-178.3179.8176.40111.5S327 L331 S332 N333S327-K329 PolarHBondContact O-N 2.74Å; K329-L331 VanDerWaalsContact C-N 3.34Å; K329-S332 PolarHBondContact O-N 3.38Å; K329-N333 PolarHBondContact O-N 3.33Å; K329-N333 PolarHBondContact O-ND2 3.09Å
330D76.5Confident74.9Confident58 Ų5870.9 Ų70.931%0.3139%0.387SS..Hα-helixtrans-64.4-42.1175.8-56.6-41.8000111K326 S327 I328 N333 L334K326-D330 PolarHBondContact N-OD2 3.2Å; S327-D330 PolarHBondContact N-OD2 3.46Å; S327-D330 VanDerWaalsContact N-OD2 3.14Å; S327-D330 WeakPolarHBondContact O-CB 3.36Å; S327-D330 PolarHBondContact O-N 3.43Å; S327-D330 VanDerWaalsContact O-N 3.13Å; S327-D330 PolarHBondContact OG-N 2.88Å; S327-D330 PolarHBondContact OG-OD2 3.15Å; I328-D330 VanDerWaalsContact C-N 3.31Å; I328-D330 PolarHBondContact O-N 3.24Å; D330-N333 PolarHBondContact O-N 2.96Å; D330-L334 VanDerWaalsContact O-CG 3.32Å; D330-L334 WeakPolarHBondContact O-CG 3.44Å; D330-L334 PolarHBondContact O-N 2.92Å
331L79.8Confident76.1Confident0 Ų070.1 Ų70.10%036%0.363CS..Hα-helixtrans-62.4-44177.4-87.3151.1000112.8L311 S327 I328 K329 N333 L334 I335 L345 L352L311-L331 HydrophobicContact CD1-CD2 3.98Å; L311-L331 HydrophobicContact CD2-CD1 4.06Å; L311-L331 HydrophobicContact CD2-CD2 3.8Å; L311-L331 HydrophobicContact CD2-CG 3.92Å; S327-L331 PolarHBondContact O-N 3.15Å; I328-L331 WeakPolarHBondContact O-CB 3.42Å; I328-L331 PolarHBondContact O-N 2.74Å; K329-L331 VanDerWaalsContact C-N 3.34Å; L331-N333 VanDerWaalsContact C-N 3.25Å; L331-N333 PolarHBondContact O-N 3.18Å; L331-L334 PolarHBondContact O-N 3.11Å; L331-L334 VanDerWaalsContact O-N 3.16Å; L331-I335 VanDerWaalsContact O-CG1 3.28Å; L331-I335 WeakPolarHBondContact O-CG1 3.43Å; L331-I335 PolarHBondContact O-N 3.45Å; L331-L345 HydrophobicContact CD2-CD2 4.22Å; L331-L352 HydrophobicContact CD1-CD1 3.3Å; L331-L352 HydrophobicContact CD1-CG 4.34Å
332S79.4Confident77.3Confident35 Ų3571 Ų7125%0.24537%0.366CS..Hα-helixtrans-58.9-40.3175.6178.70000111.8I328 K329 K336I328-S332 PolarHBondContact O-N 3.07Å; K329-S332 PolarHBondContact O-N 3.38Å; S332-K336 PolarHBondContact O-N 3.05Å
333N81.3Confident78.7Confident80 Ų8074.4 Ų74.443%0.42836%0.364SS..Hα-helixtrans-69.4-38.6176.2-71.8-30.2000112.3K329 D330 L331 K336 K337K329-N333 PolarHBondContact O-N 3.33Å; K329-N333 PolarHBondContact O-ND2 3.09Å; D330-N333 PolarHBondContact O-N 2.96Å; L331-N333 VanDerWaalsContact C-N 3.25Å; L331-N333 PolarHBondContact O-N 3.18Å; N333-K336 PolarHBondContact O-N 3.13Å; N333-K337 WeakPolarHBondContact O-CG 3.22Å; N333-K337 PolarHBondContact O-N 3.19Å; N333-K337 VanDerWaalsContact O-N 3.08Å
334L82Confident80Confident19 Ų1977 Ų7710%0.09937%0.374CS..Hα-helixtrans-63.4-42.9175.4-75.1174.5000111.8M315 S325 D330 L331 K336 K337 M338 L345M315-L334 HydrophobicContact CE-CD2 4.03Å; S325-L334 WeakPolarHBondContact OG-CD1 3.21Å; D330-L334 VanDerWaalsContact O-CG 3.32Å; D330-L334 WeakPolarHBondContact O-CG 3.44Å; D330-L334 PolarHBondContact O-N 2.92Å; L331-L334 PolarHBondContact O-N 3.11Å; L331-L334 VanDerWaalsContact O-N 3.16Å; L334-K336 VanDerWaalsContact C-N 3.32Å; L334-K336 PolarHBondContact O-N 3.14Å; L334-K337 CarbonylContact O-C 3.59Å; L334-K337 PolarHBondContact O-N 2.97Å; L334-K337 VanDerWaalsContact O-N 3.11Å; L334-M338 HydrophobicContact CD2-CE 4.16Å; L334-M338 WeakPolarHBondContact O-CB 3.5Å; L334-M338 PolarHBondContact O-N 3.22Å; L334-L345 HydrophobicContact CB-CD1 4.28Å
335I84Confident81.2Confident23 Ų2372.1 Ų72.112%0.11835%0.348CS..Hα-helixtrans-57.8-45.5176.8-70.2162.9000110.5L331 K337 M338 Q342 L345L331-I335 VanDerWaalsContact O-CG1 3.28Å; L331-I335 WeakPolarHBondContact O-CG1 3.43Å; L331-I335 PolarHBondContact O-N 3.45Å; I335-K337 VanDerWaalsContact C-N 3.33Å; I335-K337 PolarHBondContact O-N 3.45Å; I335-M338 CarbonylContact O-C 3.58Å; I335-M338 PolarHBondContact O-N 3.2Å; I335-Q342 HydrophobicContact CG2-CG 3.99Å; I335-L345 HydrophobicContact CD1-CB 4.31Å; I335-L345 HydrophobicContact CG1-CB 3.59Å; I335-L345 HydrophobicContact CG1-CD1 4.07Å; I335-L345 HydrophobicContact CG1-CG 4.49Å
336K84.8Confident82.5Confident148 Ų14873.4 Ų73.464%0.64335%0.353SS*.Hα-helixtrans-62.8-37.8176.2-70.1-180-179.3-178.70112.6S332 N333 L334S332-K336 PolarHBondContact O-N 3.05Å; N333-K336 PolarHBondContact O-N 3.13Å; L334-K336 VanDerWaalsContact C-N 3.32Å; L334-K336 PolarHBondContact O-N 3.14Å
337K85.3Confident83.8Confident161 Ų16169.8 Ų69.870%0.734%0.338SS*.Hα-helixtrans-78.4-20179.7-72.4179.5-180-178.80113.8N333 L334 I335N333-K337 WeakPolarHBondContact O-CG 3.22Å; N333-K337 PolarHBondContact O-N 3.19Å; N333-K337 VanDerWaalsContact O-N 3.08Å; L334-K337 CarbonylContact O-C 3.59Å; L334-K337 PolarHBondContact O-N 2.97Å; L334-K337 VanDerWaalsContact O-N 3.11Å; I335-K337 VanDerWaalsContact C-N 3.33Å; I335-K337 PolarHBondContact O-N 3.45Å
338M84.3Confident84.9Confident12 Ų1269.3 Ų69.36%0.05933%0.329CS..  trans-137.262.9-171.5-54.5-166.5-16900112.2M315 R319 L334 I335 Q340 Y341 L345M315-M338 HydrophobicContact CE-CE 3.65Å; M315-M338 HydrophobicContact CE-SD 3.87Å; R319-M338 VanDerWaalsContact CZ-SD 3.55Å; R319-M338 PolarHBondContact NE-SD 3.29Å; R319-M338 VanDerWaalsContact NE-SD 3.43Å; L334-M338 HydrophobicContact CD2-CE 4.16Å; L334-M338 WeakPolarHBondContact O-CB 3.5Å; L334-M338 PolarHBondContact O-N 3.22Å; I335-M338 CarbonylContact O-C 3.58Å; I335-M338 PolarHBondContact O-N 3.2Å; M338-Q340 VanDerWaalsContact C-OE1 3.22Å; M338-Q340 VanDerWaalsContact CA-OE1 3.3Å; M338-Q340 PolarHBondContact O-N 2.99Å; M338-Q340 VanDerWaalsContact O-N 3.12Å; M338-Y341 HydrophobicContact CB-CD2 4.29Å; M338-Y341 PolarHBondContact O-N 3.18Å; M338-Y341 HydrophobicContact SD-CD2 4.4Å; M338-L345 HydrophobicContact CB-CD1 4.3Å
339P86.9Confident85.8Confident83 Ų8367.4 Ų67.454%0.53932%0.32SS..G310 helixtrans-58.8-27.4-178.524.1-34.3000113.2Y341 Q342P339-Y341 PolarHBondContact O-N 3.33Å; P339-Q342 VanDerWaalsContact O-CB 3.22Å; P339-Q342 WeakPolarHBondContact O-CB 3.46Å; P339-Q342 PolarHBondContact O-N 3.25Å; P339-Q342 VanDerWaalsContact O-N 3.16Å
340Q89.4Confident86.7Confident114 Ų11459.6 Ų59.653%0.53329%0.286SS..G310 helixtrans-64.3-19.8176.971.2-89.94400114.2M338M338-Q340 VanDerWaalsContact C-OE1 3.22Å; M338-Q340 VanDerWaalsContact CA-OE1 3.3Å; M338-Q340 PolarHBondContact O-N 2.99Å; M338-Q340 VanDerWaalsContact O-N 3.12Å
341Y89.2Confident87.6Confident54 Ų5456.8 Ų56.821%0.21227%0.271CS..G310 helixtrans-114.117.6178.4-60.3-55.2000111.8F314 K318 M338 P339 K343 E344 L345F314-Y341 HydrophobicContact CE1-CG 4.41Å; F314-Y341 AromaticContact CZ-CD1 3.99Å; F314-Y341 HydrophobicContact CZ-CD1 3.99Å; F314-Y341 HydrophobicContact CZ-CG 4.08Å; K318-Y341 HydrophobicContact CB-CE2 4.31Å; K318-Y341 HydrophobicContact CD-CE1 4.34Å; K318-Y341 HydrophobicContact CG-CE1 4.36Å; M338-Y341 HydrophobicContact CB-CD2 4.29Å; M338-Y341 PolarHBondContact O-N 3.18Å; M338-Y341 HydrophobicContact SD-CD2 4.4Å; P339-Y341 PolarHBondContact O-N 3.33Å; Y341-K343 VanDerWaalsContact C-N 3.25Å; Y341-K343 PolarHBondContact O-N 3.24Å; Y341-E344 PolarHBondContact O-N 3.28Å; Y341-L345 WeakPolarHBondContact O-CB 3.25Å; Y341-L345 WeakPolarHBondContact O-CG 3.41Å; Y341-L345 PolarHBondContact O-N 2.87Å
342Q89.3Confident88.3Confident97 Ų9757.5 Ų57.545%0.45328%0.275SS..Hα-helixtrans-58.1-38.5-175177.8174.522.200112.2I335 P339 N346I335-Q342 HydrophobicContact CG2-CG 3.99Å; P339-Q342 VanDerWaalsContact O-CB 3.22Å; P339-Q342 WeakPolarHBondContact O-CB 3.46Å; P339-Q342 PolarHBondContact O-N 3.25Å; P339-Q342 VanDerWaalsContact O-N 3.16Å; Q342-N346 VanDerWaalsContact O-CB 3.23Å; Q342-N346 WeakPolarHBondContact O-CB 3.28Å; Q342-N346 PolarHBondContact O-N 3.16Å; Q342-N346 PolarHBondContact O-ND2 2.85Å
343K89.2Confident88.9Confident157 Ų15757.4 Ų57.468%0.68327%0.271SS*.Hα-helixtrans-62.4-49.2180-174.2179.5179.6-1790111.3Y341 K347Y341-K343 VanDerWaalsContact C-N 3.25Å; Y341-K343 PolarHBondContact O-N 3.24Å; K343-K347 PolarHBondContact O-N 3.28Å
344E90.1Very high89.7Confident76 Ų7653.6 Ų53.636%0.35525%0.25SS..Hα-helixtrans-67.4-44.7179.3-65.286.816400111.7F314 Y341 N346 K347 Y348F314-E344 HydrophobicContact CE1-CB 4.37Å; F314-E344 HydrophobicContact CE2-CB 3.89Å; F314-E344 HydrophobicContact CE2-CG 3.94Å; F314-E344 HydrophobicContact CZ-CB 3.66Å; F314-E344 HydrophobicContact CZ-CG 4.05Å; Y341-E344 PolarHBondContact O-N 3.28Å; E344-N346 VanDerWaalsContact C-N 3.31Å; E344-N346 PolarHBondContact O-N 3.48Å; E344-K347 WeakPolarHBondContact O-CB 3.47Å; E344-K347 PolarHBondContact O-N 3.02Å; E344-K347 VanDerWaalsContact O-N 3.15Å; E344-Y348 VanDerWaalsContact O-CD2 3.26Å; E344-Y348 WeakPolarHBondContact O-CD2 3.17Å; E344-Y348 PolarHBondContact O-N 3.46Å
345L89.9Confident90.4Very high0 Ų052.7 Ų52.70%025%0.246CC..Hα-helixtrans-64.8-34.6178.5-68.5174.5000112.5L311 F314 M315 L331 L334 I335 M338 Y341 K347 Y348 S349L311-L345 HydrophobicContact CD1-CD2 3.81Å; F314-L345 HydrophobicContact CE1-CD2 4.24Å; M315-L345 HydrophobicContact SD-CD2 4.43Å; L331-L345 HydrophobicContact CD2-CD2 4.22Å; L334-L345 HydrophobicContact CB-CD1 4.28Å; I335-L345 HydrophobicContact CD1-CB 4.31Å; I335-L345 HydrophobicContact CG1-CB 3.59Å; I335-L345 HydrophobicContact CG1-CD1 4.07Å; I335-L345 HydrophobicContact CG1-CG 4.49Å; M338-L345 HydrophobicContact CB-CD1 4.3Å; Y341-L345 WeakPolarHBondContact O-CB 3.25Å; Y341-L345 WeakPolarHBondContact O-CG 3.41Å; Y341-L345 PolarHBondContact O-N 2.87Å; L345-K347 VanDerWaalsContact C-N 3.29Å; L345-K347 PolarHBondContact O-N 3.35Å; L345-Y348 PolarHBondContact O-N 2.95Å; L345-S349 WeakPolarHBondContact O-CB 3.47Å; L345-S349 PolarHBondContact O-N 2.88Å
346N90.3Very high90.9Very high42 Ų4255.6 Ų55.623%0.22526%0.259CS..Hα-helixtrans-61.8-36.1173.8-83.1-29.8000112K281 Q342 E344 S349 T350K281-N346 PolarHBondContact NZ-OD1 3.36Å; Q342-N346 VanDerWaalsContact O-CB 3.23Å; Q342-N346 WeakPolarHBondContact O-CB 3.28Å; Q342-N346 PolarHBondContact O-N 3.16Å; Q342-N346 PolarHBondContact O-ND2 2.85Å; E344-N346 VanDerWaalsContact C-N 3.31Å; E344-N346 PolarHBondContact O-N 3.48Å; N346-S349 PolarHBondContact O-N 3.32Å; N346-T350 WeakPolarHBondContact O-CB 3.41Å; N346-T350 PolarHBondContact O-N 3.11Å; N346-T350 PolarHBondContact O-OG1 3.07Å
347K92.4Very high91.4Very high48 Ų4849.9 Ų49.921%0.20924%0.236CC..Hα-helixtrans-60.6-52.9174.6-66.5176.7162.8-143.50111.1N288 D289 L291 K343 E344 L345 S349 T350 H351N288-K347 PolarHBondContact O-NZ 3.13Å; D289-K347 VanDerWaalsContact OD1-CD 3.24Å; D289-K347 WeakPolarHBondContact OD1-CD 3.34Å; D289-K347 VanDerWaalsContact OD1-CE 3.29Å; D289-K347 WeakPolarHBondContact OD1-CE 3.3Å; D289-K347 IonicContact OD1-NZ 3.88Å; D289-K347 PolarHBondContact OD1-NZ 3.49Å; L291-K347 HydrophobicContact CD2-CB 4.44Å; K343-K347 PolarHBondContact O-N 3.28Å; E344-K347 WeakPolarHBondContact O-CB 3.47Å; E344-K347 PolarHBondContact O-N 3.02Å; E344-K347 VanDerWaalsContact O-N 3.15Å; L345-K347 VanDerWaalsContact C-N 3.29Å; L345-K347 PolarHBondContact O-N 3.35Å; K347-S349 VanDerWaalsContact C-N 3.3Å; K347-S349 PolarHBondContact O-N 2.78Å; K347-T350 WeakPolarHBondContact O-CB 3.33Å; K347-T350 PolarHBondContact O-N 3.08Å; K347-T350 VanDerWaalsContact O-N 3.11Å; K347-H351 PolarHBondContact O-CD2 2.87Å; K347-H351 PolarHBondContact O-N 2.74Å; K347-H351 VanDerWaalsContact O-N 3.09Å
348Y92.9Very high92Very high35 Ų3542.2 Ų42.214%0.13720%0.202CC..Hα-helixtrans-57.2-43.1176.3-70.4-74.5000112.5L291 V307 G310 L311 F314 E344 L345 T350 H351 L352L291-Y348 HydrophobicContact CD2-CD1 3.64Å; L291-Y348 HydrophobicContact CD2-CE1 3.8Å; L291-Y348 HydrophobicContact CD2-CG 4.16Å; V307-Y348 HydrophobicContact CG1-CD1 3.96Å; G310-Y348 VanDerWaalsContact C-CE1 3.49Å; G310-Y348 PolarHBondContact O-OH 3.32Å; L311-Y348 HydrophobicContact CB-CD1 3.84Å; L311-Y348 HydrophobicContact CB-CE1 4.09Å; L311-Y348 HydrophobicContact CB-CG 4.17Å; L311-Y348 HydrophobicContact CD1-CD2 3.94Å; L311-Y348 HydrophobicContact CD1-CE2 4.41Å; L311-Y348 HydrophobicContact CD1-CG 4.01Å; L311-Y348 VanDerWaalsContact N-CE1 3.25Å; F314-Y348 HydrophobicContact CB-CE2 4.16Å; F314-Y348 HydrophobicContact CD1-CE2 4.42Å; F314-Y348 HydrophobicContact CG-CE2 4.15Å; E344-Y348 VanDerWaalsContact O-CD2 3.26Å; E344-Y348 WeakPolarHBondContact O-CD2 3.17Å; E344-Y348 PolarHBondContact O-N 3.46Å; L345-Y348 PolarHBondContact O-N 2.95Å; Y348-T350 VanDerWaalsContact C-N 3.32Å; Y348-T350 PolarHBondContact O-N 2.73Å; Y348-H351 PolarHBondContact O-N 3.36Å; Y348-L352 PolarHBondContact O-N 3.26Å
349S90.9Very high92.6Very high5 Ų544.1 Ų44.14%0.03521%0.212CC..Hα-helixtrans-61.3-40.3176.9-177.30000112.5L345 N346 K347 H353L345-S349 WeakPolarHBondContact O-CB 3.47Å; L345-S349 PolarHBondContact O-N 2.88Å; N346-S349 PolarHBondContact O-N 3.32Å; K347-S349 VanDerWaalsContact C-N 3.3Å; K347-S349 PolarHBondContact O-N 2.78Å; S349-H353 WeakPolarHBondContact O-CB 3.47Å; S349-H353 PolarHBondContact O-N 2.7Å; S349-H353 VanDerWaalsContact O-N 3.15Å
350T93.6Very high93Very high4 Ų445 Ų453%0.02521%0.209CC..Hα-helixtrans-62.9-51.9179-55.20000110.1F268 Y270 V283 N346 K347 Y348 L352 H353 L354F268-T350 HydrophobicContact CD1-CG2 4.05Å; F268-T350 HydrophobicContact CE1-CG2 4.47Å; Y270-T350 HydrophobicContact CE1-CG2 4.1Å; Y270-T350 PolarHBondContact OH-OG1 3.44Å; Y270-T350 VanDerWaalsContact OH-OG1 3.09Å; V283-T350 HydrophobicContact CB-CG2 4.03Å; V283-T350 HydrophobicContact CG1-CG2 3.92Å; V283-T350 HydrophobicContact CG2-CG2 4.11Å; N346-T350 WeakPolarHBondContact O-CB 3.41Å; N346-T350 PolarHBondContact O-N 3.11Å; N346-T350 PolarHBondContact O-OG1 3.07Å; K347-T350 WeakPolarHBondContact O-CB 3.33Å; K347-T350 PolarHBondContact O-N 3.08Å; K347-T350 VanDerWaalsContact O-N 3.11Å; Y348-T350 VanDerWaalsContact C-N 3.32Å; Y348-T350 PolarHBondContact O-N 2.73Å; T350-L352 PolarHBondContact O-N 3.41Å; T350-H353 PolarHBondContact O-N 2.94Å; T350-H353 VanDerWaalsContact O-N 3.15Å; T350-L354 WeakPolarHBondContact O-CB 3.3Å; T350-L354 PolarHBondContact O-N 3.47Å
351H95.1Very high93.3Very high0 Ų046 Ų460%021%0.208CC..Hα-helixtrans-68.9-32.5-176-67.9-60.4000113.6F253 D289 L291 W292 L295 V307 K347 Y348 A355F253-H351 AromaticContact CE1-ND1 3.73Å; D289-H351 IonicContact OD2-CD2 3.37Å; D289-H351 IonicContact OD2-CE1 2.81Å; D289-H351 IonicContact OD2-NE2 3.18Å; D289-H351 PolarHBondContact OD2-NE2 2.79Å; L291-H351 VanDerWaalsContact CD2-CD2 3.49Å; L291-H351 WeakPolarHBondContact CD2-CD2 3.34Å; W292-H351 AromaticContact CE3-CE1 3.72Å; L295-H351 HydrophobicContact CD1-CB 4.04Å; V307-H351 HydrophobicContact CG1-CB 4.35Å; V307-H351 HydrophobicContact CG2-CB 3.92Å; K347-H351 PolarHBondContact O-CD2 2.87Å; K347-H351 PolarHBondContact O-N 2.74Å; K347-H351 VanDerWaalsContact O-N 3.09Å; Y348-H351 PolarHBondContact O-N 3.36Å; H351-A355 VanDerWaalsContact O-CB 3.3Å; H351-A355 WeakPolarHBondContact O-CB 3.49Å; H351-A355 PolarHBondContact O-N 2.74Å
352L93.4Very high93.7Very high14 Ų1445.2 Ų45.27%0.07320%0.204CC..Hα-helixtrans-64.4-43.8170.3-76.6-172.2000111.8V307 I328 L331 Y348 T350 A355 E356V307-L352 HydrophobicContact CB-CD2 3.77Å; V307-L352 HydrophobicContact CB-CG 4.38Å; V307-L352 HydrophobicContact CG1-CD2 3.55Å; V307-L352 HydrophobicContact CG1-CG 3.59Å; I328-L352 HydrophobicContact CD1-CB 4.44Å; I328-L352 HydrophobicContact CG1-CB 4Å; I328-L352 HydrophobicContact CG1-CD1 4.41Å; L331-L352 HydrophobicContact CD1-CD1 3.3Å; L331-L352 HydrophobicContact CD1-CG 4.34Å; Y348-L352 PolarHBondContact O-N 3.26Å; T350-L352 PolarHBondContact O-N 3.41Å; L352-A355 PolarHBondContact O-N 3.01Å; L352-E356 WeakPolarHBondContact O-CB 3.09Å; L352-E356 PolarHBondContact O-N 3.06Å
353H93.6Very high94Very high34 Ų3447.1 Ų47.116%0.15721%0.213CC..Hα-helixtrans-67.6-43.9179.7-166.373.1000111.4F268 Y270 I328 S349 T350 A355 E356 V357F268-H353 AromaticContact CZ-CD2 3.78Å; Y270-H353 WeakPolarHBondContact CB-CD2 3.3Å; Y270-H353 WeakPolarHBondContact CB-NE2 3.39Å; Y270-H353 HydrophobicContact CD2-CB 3.99Å; Y270-H353 AromaticContact CD2-CD2 3.27Å; Y270-H353 WeakPolarHBondContact CD2-CD2 3.49Å; Y270-H353 AromaticContact CD2-CG 3.59Å; Y270-H353 AromaticContact CD2-NE2 3.86Å; Y270-H353 HydrophobicContact CE2-CB 4.15Å; Y270-H353 AromaticContact CG-CD2 3.47Å; Y270-H353 VanDerWaalsContact CG-CD2 3.47Å; I328-H353 HydrophobicContact CD1-CB 4.17Å; S349-H353 WeakPolarHBondContact O-CB 3.47Å; S349-H353 PolarHBondContact O-N 2.7Å; S349-H353 VanDerWaalsContact O-N 3.15Å; T350-H353 PolarHBondContact O-N 2.94Å; T350-H353 VanDerWaalsContact O-N 3.15Å; H353-A355 VanDerWaalsContact C-N 3.34Å; H353-A355 PolarHBondContact O-N 3.38Å; H353-E356 IonicContact ND1-OE2 3.18Å; H353-E356 PolarHBondContact O-N 3.17Å; H353-V357 WeakPolarHBondContact O-CG2 3.5Å; H353-V357 PolarHBondContact O-N 3.03Å
354L96.6Very high94.2Very high0 Ų044.8 Ų44.80%021%0.212CC..Hα-helixtrans-57-46.9175.3-176.860.3000111.5F253 A257 L261 I263 F268 L285 W292 T350 V357 C358F253-L354 HydrophobicContact CE1-CD2 4.1Å; F253-L354 HydrophobicContact CE2-CB 4.25Å; F253-L354 HydrophobicContact CE2-CD2 3.96Å; F253-L354 HydrophobicContact CE2-CG 3.72Å; F253-L354 HydrophobicContact CZ-CB 3.92Å; F253-L354 HydrophobicContact CZ-CD2 3.53Å; F253-L354 HydrophobicContact CZ-CG 3.66Å; A257-L354 HydrophobicContact CB-CD1 4.07Å; A257-L354 HydrophobicContact CB-CG 4.47Å; L261-L354 HydrophobicContact CD1-CD1 3.47Å; L261-L354 VanDerWaalsContact CD1-CD1 3.47Å; I263-L354 HydrophobicContact CD1-CD1 4.38Å; F268-L354 HydrophobicContact CD1-CB 4.3Å; F268-L354 HydrophobicContact CD1-CD1 4.1Å; F268-L354 HydrophobicContact CD2-CD1 3.78Å; F268-L354 HydrophobicContact CE1-CB 3.8Å; F268-L354 HydrophobicContact CE1-CD1 3.97Å; F268-L354 HydrophobicContact CE1-CG 4.46Å; F268-L354 HydrophobicContact CE2-CD1 3.66Å; F268-L354 HydrophobicContact CG-CD1 4Å; F268-L354 HydrophobicContact CZ-CB 4.1Å; F268-L354 HydrophobicContact CZ-CD1 3.75Å; L285-L354 HydrophobicContact CD1-CD2 4.1Å; L285-L354 HydrophobicContact CD2-CD2 4.25Å; W292-L354 HydrophobicContact CE3-CD2 4.46Å; W292-L354 HydrophobicContact CH2-CD2 4.45Å; W292-L354 HydrophobicContact CZ3-CD2 3.73Å; T350-L354 WeakPolarHBondContact O-CB 3.3Å; T350-L354 PolarHBondContact O-N 3.47Å; L354-V357 PolarHBondContact O-N 2.88Å; L354-C358 WeakPolarHBondContact O-CB 3.23Å; L354-C358 PolarHBondContact O-N 3.37Å; L354-C358 PolarHBondContact O-SG 2.96Å
355A96.8Very high94.3Very high0 Ų041.9 Ų41.90%020%0.203CC..Hα-helixtrans-65-38.8176.400000112.9F253 I300 V303 H351 L352 H353 M359F253-A355 HydrophobicContact CE2-CB 3.99Å; F253-A355 HydrophobicContact CZ-CB 4.29Å; I300-A355 HydrophobicContact CD1-CB 4.19Å; V303-A355 HydrophobicContact CG1-CB 3.94Å; H351-A355 VanDerWaalsContact O-CB 3.3Å; H351-A355 WeakPolarHBondContact O-CB 3.49Å; H351-A355 PolarHBondContact O-N 2.74Å; L352-A355 PolarHBondContact O-N 3.01Å; H353-A355 VanDerWaalsContact C-N 3.34Å; H353-A355 PolarHBondContact O-N 3.38Å; A355-M359 WeakPolarHBondContact O-CB 3.33Å; A355-M359 WeakPolarHBondContact O-CG 3.22Å; A355-M359 PolarHBondContact O-N 3.08Å
356E94.7Very high94.6Very high84 Ų8442.4 Ų42.439%0.39321%0.206SC..Hα-helixtrans-62.8-48.6176.7-177.1178.8-158.600111.5I328 L352 H353 C358 M359 Q360I328-E356 WeakPolarHBondContact CD1-OE2 3.38Å; L352-E356 WeakPolarHBondContact O-CB 3.09Å; L352-E356 PolarHBondContact O-N 3.06Å; H353-E356 IonicContact ND1-OE2 3.18Å; H353-E356 PolarHBondContact O-N 3.17Å; E356-C358 PolarHBondContact O-N 2.95Å; E356-M359 PolarHBondContact O-N 2.91Å; E356-Q360 WeakPolarHBondContact O-CG 3.22Å; E356-Q360 PolarHBondContact O-N 3.4Å
357V95.5Very high94.9Very high27 Ų2742.3 Ų42.316%0.16421%0.206CC..Hα-helixtrans-66.5-38.6-179.9-175.70000110.9L261 H353 L354 M359 Q360 R361L261-V357 HydrophobicContact CD1-CG1 4.47Å; L261-V357 HydrophobicContact CD2-CB 4.36Å; L261-V357 HydrophobicContact CD2-CG1 3.54Å; H353-V357 WeakPolarHBondContact O-CG2 3.5Å; H353-V357 PolarHBondContact O-N 3.03Å; L354-V357 PolarHBondContact O-N 2.88Å; V357-M359 VanDerWaalsContact C-N 3.34Å; V357-M359 PolarHBondContact O-N 3.48Å; V357-Q360 PolarHBondContact O-N 3.2Å; V357-R361 WeakPolarHBondContact O-CG 3.4Å; V357-R361 PolarHBondContact O-N 2.97Å
358C97.7Very high95.1Very high0 Ų045.9 Ų45.90%022%0.221CC..Hα-helixtrans-56.3-48.1171.2-71.10000111.3M256 I300 L354 E356 R361 Y362M256-C358 HydrophobicContact CE-CB 3.98Å; M256-C358 WeakPolarHBondContact CE-O 3.24Å; M256-C358 HydrophobicContact CG-CB 4.45Å; M256-C358 HydrophobicContact SD-CB 4.08Å; I300-C358 HydrophobicContact CD1-CB 4.02Å; L354-C358 WeakPolarHBondContact O-CB 3.23Å; L354-C358 PolarHBondContact O-N 3.37Å; L354-C358 PolarHBondContact O-SG 2.96Å; E356-C358 PolarHBondContact O-N 2.95Å; C358-R361 PolarHBondContact O-N 2.93Å; C358-Y362 WeakPolarHBondContact O-CB 3.27Å; C358-Y362 PolarHBondContact O-N 2.93Å
359M96.8Very high95.3Very high53 Ų5344.3 Ų44.326%0.26122%0.216SC..Hα-helixtrans-67.2-35.7179.6-75.8-59.1-55.300113I300 A355 E356 V357 Y362 Q363I300-M359 HydrophobicContact CG1-CG 4Å; I300-M359 HydrophobicContact CG1-SD 3.62Å; I300-M359 HydrophobicContact CG2-SD 4.23Å; A355-M359 WeakPolarHBondContact O-CB 3.33Å; A355-M359 WeakPolarHBondContact O-CG 3.22Å; A355-M359 PolarHBondContact O-N 3.08Å; E356-M359 PolarHBondContact O-N 2.91Å; V357-M359 VanDerWaalsContact C-N 3.34Å; V357-M359 PolarHBondContact O-N 3.48Å; M359-Y362 HydrophobicContact CE-CD1 4.1Å; M359-Y362 PolarHBondContact O-N 3.36Å; M359-Q363 VanDerWaalsContact O-CG 3.26Å; M359-Q363 WeakPolarHBondContact O-CG 3.33Å; M359-Q363 PolarHBondContact O-N 3.08Å; M359-Q363 VanDerWaalsContact O-N 3.12Å
360Q96.1Very high95.6Very high100 Ų10044.1 Ų44.147%0.46721%0.214SC..Hα-helixtrans-61.4-48.7173.6-73.51733.600110.8E356 V357 Y362 Q363 T364E356-Q360 WeakPolarHBondContact O-CG 3.22Å; E356-Q360 PolarHBondContact O-N 3.4Å; V357-Q360 PolarHBondContact O-N 3.2Å; Q360-Y362 VanDerWaalsContact C-N 3.35Å; Q360-Y362 PolarHBondContact O-N 2.79Å; Q360-Q363 PolarHBondContact O-N 3.4Å; Q360-T364 WeakPolarHBondContact O-CG2 3.45Å; Q360-T364 PolarHBondContact O-N 3.16Å
361R95.8Very high95.8Very high137 Ų13749.2 Ų49.252%0.51724%0.236SC..Hα-helixtrans-62.9-39.8175.6-68.2-63.2-172.6132.81.9112.3L260 L261 V357 C358 Q363 T364L260-R361 HydrophobicContact CB-CB 4.19Å; L260-R361 HydrophobicContact CD1-CB 4.19Å; L261-R361 HydrophobicContact CD2-CG 3.88Å; V357-R361 WeakPolarHBondContact O-CG 3.4Å; V357-R361 PolarHBondContact O-N 2.97Å; C358-R361 PolarHBondContact O-N 2.93Å; R361-Q363 PolarHBondContact O-N 3.47Å; R361-T364 PolarHBondContact O-N 2.8Å; R361-T364 PolarHBondContact O-OG1 3.25Å
362Y96.5Very high95.9Very high36 Ų3650 Ų5014%0.14124%0.241CC..Iπ-helixtrans-58-40.4176.9179.7-108.3000112.6L251 M256 C358 M359 Q360 T364 V366 D367L251-Y362 HydrophobicContact CD1-CE2 4.11Å; L251-Y362 HydrophobicContact CD2-CD2 3.85Å; L251-Y362 HydrophobicContact CD2-CE2 3.72Å; M256-Y362 HydrophobicContact CE-CD2 4.08Å; M256-Y362 HydrophobicContact CE-CG 4.02Å; C358-Y362 WeakPolarHBondContact O-CB 3.27Å; C358-Y362 PolarHBondContact O-N 2.93Å; M359-Y362 HydrophobicContact CE-CD1 4.1Å; M359-Y362 PolarHBondContact O-N 3.36Å; Q360-Y362 VanDerWaalsContact C-N 3.35Å; Q360-Y362 PolarHBondContact O-N 2.79Å; Y362-T364 VanDerWaalsContact C-N 3.29Å; Y362-T364 PolarHBondContact O-N 3.38Å; Y362-V366 HydrophobicContact CD2-CB 4.13Å; Y362-V366 HydrophobicContact CD2-CG1 3.98Å; Y362-V366 HydrophobicContact CE2-CG1 4.47Å; Y362-V366 PolarHBondContact O-N 3.32Å; Y362-D367 HydrophobicContact CD1-CB 4.18Å; Y362-D367 HydrophobicContact CD2-CB 4.48Å; Y362-D367 HydrophobicContact CE1-CB 3.58Å; Y362-D367 HydrophobicContact CE2-CB 3.92Å; Y362-D367 VanDerWaalsContact CZ-CB 3.43Å; Y362-D367 PolarHBondContact O-N 2.93Å; Y362-D367 VanDerWaalsContact O-N 3.1Å
363Q95.5Very high96.1Very high137 Ų13749.4 Ų49.464%0.6424%0.237SC*.Iπ-helixtrans-76.7-7.8-178.3-70.7173.3-8.200114.2M359 Q360 R361 G365M359-Q363 VanDerWaalsContact O-CG 3.26Å; M359-Q363 WeakPolarHBondContact O-CG 3.33Å; M359-Q363 PolarHBondContact O-N 3.08Å; M359-Q363 VanDerWaalsContact O-N 3.12Å; Q360-Q363 PolarHBondContact O-N 3.4Å; R361-Q363 PolarHBondContact O-N 3.47Å; Q363-G365 PolarHBondContact O-N 3.45Å
364T93.6Very high96.2Very high108 Ų10848.1 Ų48.166%0.66323%0.231SC*.Iπ-helixtrans-79.1-3.1176.1640000113.5Q360 R361 Y362Q360-T364 WeakPolarHBondContact O-CG2 3.45Å; Q360-T364 PolarHBondContact O-N 3.16Å; R361-T364 PolarHBondContact O-N 2.8Å; R361-T364 PolarHBondContact O-OG1 3.25Å; Y362-T364 VanDerWaalsContact C-N 3.29Å; Y362-T364 PolarHBondContact O-N 3.38Å
365G93.1Very high96.2Very high16 Ų1649.5 Ų49.517%0.16524%0.239CC..Iπ-helixtrans140.6-1117600000114.8Q363 D367 K368 L369Q363-G365 PolarHBondContact O-N 3.45Å; G365-D367 PolarHBondContact O-N 3.1Å; G365-K368 WeakPolarHBondContact O-CB 3.29Å; G365-K368 PolarHBondContact O-N 3.43Å; G365-L369 PolarHBondContact O-N 3.22Å
366V96.3Very high96.2Very high10 Ų1049.8 Ų49.86%0.06124%0.24CC..Iπ-helixtrans-60-33.8176.3-179.50000111H249 L260 Y362 K368 L369 C370H249-V366 HydrophobicContact CB-CG1 4.22Å; L260-V366 HydrophobicContact CD2-CG1 4.32Å; L260-V366 HydrophobicContact CD2-CG2 3.99Å; Y362-V366 HydrophobicContact CD2-CB 4.13Å; Y362-V366 HydrophobicContact CD2-CG1 3.98Å; Y362-V366 HydrophobicContact CE2-CG1 4.47Å; Y362-V366 PolarHBondContact O-N 3.32Å; V366-K368 PolarHBondContact O-N 3.26Å; V366-L369 WeakPolarHBondContact O-CB 3.47Å; V366-L369 PolarHBondContact O-N 2.66Å; V366-L369 VanDerWaalsContact O-N 3.08Å; V366-C370 PolarHBondContact O-N 3.03Å; V366-C370 PolarHBondContact O-SG 2.78Å
367D95.9Very high96.2Very high40 Ų4046.4 Ų46.421%0.21423%0.227CC..Hα-helixtrans-55.2-34.1174.275.6-59.4000113.8Y362 G365 K371Y362-D367 HydrophobicContact CD1-CB 4.18Å; Y362-D367 HydrophobicContact CD2-CB 4.48Å; Y362-D367 HydrophobicContact CE1-CB 3.58Å; Y362-D367 HydrophobicContact CE2-CB 3.92Å; Y362-D367 VanDerWaalsContact CZ-CB 3.43Å; Y362-D367 PolarHBondContact O-N 2.93Å; Y362-D367 VanDerWaalsContact O-N 3.1Å; G365-D367 PolarHBondContact O-N 3.1Å; D367-K371 WeakPolarHBondContact O-CG 3.45Å
368K96.6Very high96.2Very high123 Ų12347.5 Ų47.554%0.53523%0.233SC..Hα-helixtrans-78-40.7176.2-59.3174.5-173.4169.30111.2G365 V366 K371 V372 L397G365-K368 WeakPolarHBondContact O-CB 3.29Å; G365-K368 PolarHBondContact O-N 3.43Å; V366-K368 PolarHBondContact O-N 3.26Å; K368-K371 PolarHBondContact O-N 2.92Å; K368-V372 PolarHBondContact O-N 2.88Å; K368-L397 HydrophobicContact CB-CD2 4.06Å
369L97.4Very high95.9Very high3 Ų349.1 Ų49.12%0.01625%0.25CS..Hα-helixtrans-59.5-51.6175.5-72.1162.8000110.7G365 V366 K371 V372 E373 L397 V403 D407G365-L369 PolarHBondContact O-N 3.22Å; V366-L369 WeakPolarHBondContact O-CB 3.47Å; V366-L369 PolarHBondContact O-N 2.66Å; V366-L369 VanDerWaalsContact O-N 3.08Å; L369-K371 VanDerWaalsContact C-N 3.28Å; L369-K371 PolarHBondContact O-N 3.18Å; L369-V372 PolarHBondContact O-N 2.89Å; L369-V372 VanDerWaalsContact O-N 3.12Å; L369-E373 WeakPolarHBondContact O-CB 3.41Å; L369-E373 WeakPolarHBondContact O-CG 3.37Å; L369-E373 PolarHBondContact O-N 3.46Å; L369-L397 HydrophobicContact CD2-CD1 4.13Å; L369-V403 HydrophobicContact CD1-CG1 4.37Å; L369-V403 HydrophobicContact CD2-CG1 4.17Å; L369-D407 HydrophobicContact CD1-CB 3.71Å; L369-D407 HydrophobicContact CD2-CB 4.26Å
370C97.7Very high95.8Very high0 Ų048.2 Ų48.20%025%0.249CC..Hα-helixtrans-54.3-42.2179.8-66.50000112.4H249 V366 V372 E373 Q374 T479H249-C370 VanDerWaalsContact CB-SG 3.51Å; V366-C370 PolarHBondContact O-N 3.03Å; V366-C370 PolarHBondContact O-SG 2.78Å; C370-V372 PolarHBondContact O-N 2.9Å; C370-E373 PolarHBondContact O-N 2.82Å; C370-Q374 WeakPolarHBondContact O-CB 3Å; C370-Q374 WeakPolarHBondContact O-CG 3.38Å; C370-Q374 PolarHBondContact O-N 2.73Å; C370-T479 HydrophobicContact CB-CG2 4.22Å
371K96.3Very high95.6Very high112 Ų11245.6 Ų45.649%0.48724%0.238SC..Hα-helixtrans-58.6-50.5179-71.1172.2-172173.30111.2D367 K368 L369 Q374 D375 T479D367-K371 WeakPolarHBondContact O-CG 3.45Å; K368-K371 PolarHBondContact O-N 2.92Å; L369-K371 VanDerWaalsContact C-N 3.28Å; L369-K371 PolarHBondContact O-N 3.18Å; K371-Q374 PolarHBondContact O-N 3.03Å; K371-D375 VanDerWaalsContact O-CG 3.22Å; K371-D375 PolarHBondContact O-N 2.98Å; K371-D375 VanDerWaalsContact O-N 3.1Å; K371-T479 HydrophobicContact CG-CG2 3.87Å
372V97.3Very high95.4Very high17 Ų1741.2 Ų41.210%0.10323%0.231CC..Hα-helixtrans-68.7-43.6-179.2-178.90000111.1K368 L369 C370 Q374 D375 L376 L393 I394 L397 L411K368-V372 PolarHBondContact O-N 2.88Å; L369-V372 PolarHBondContact O-N 2.89Å; L369-V372 VanDerWaalsContact O-N 3.12Å; C370-V372 PolarHBondContact O-N 2.9Å; V372-Q374 VanDerWaalsContact C-N 3.31Å; V372-Q374 PolarHBondContact O-N 3.28Å; V372-D375 PolarHBondContact O-N 3.41Å; V372-L376 HydrophobicContact CG1-CD1 3.99Å; V372-L376 HydrophobicContact CG1-CG 4.19Å; V372-L376 VanDerWaalsContact O-CG 3.23Å; V372-L376 WeakPolarHBondContact O-CG 3.44Å; V372-L376 PolarHBondContact O-N 3Å; V372-L393 HydrophobicContact CG1-CB 3.87Å; V372-L393 HydrophobicContact CG2-CB 4.48Å; V372-I394 HydrophobicContact CG1-CG2 3.86Å; V372-L397 HydrophobicContact CB-CD1 3.97Å; V372-L397 HydrophobicContact CG1-CD1 4.5Å; V372-L397 HydrophobicContact CG2-CD1 3.6Å; V372-L411 HydrophobicContact CB-CD1 4.41Å; V372-L411 HydrophobicContact CG1-CD1 3.89Å
373E97.6Very high95.1Very high0 Ų046.1 Ų46.10%026%0.26CS..Hα-helixtrans-54.5-46.7176.1-79.3179.2-172.300112.3L248 H249 L369 C370 L376 A377 L411L248-E373 HydrophobicContact CD2-CB 3.76Å; L248-E373 HydrophobicContact CD2-CG 4.26Å; H249-E373 WeakPolarHBondContact CB-OE2 3.36Å; H249-E373 IonicContact CE1-OE1 2.9Å; H249-E373 IonicContact CG-OE1 2.82Å; H249-E373 IonicContact CG-OE2 2.69Å; H249-E373 PolarHBondContact N-OE2 2.83Å; H249-E373 IonicContact ND1-OE1 3.62Å; H249-E373 PolarHBondContact ND1-OE1 3.35Å; H249-E373 IonicContact ND1-OE2 3.5Å; H249-E373 PolarHBondContact ND1-OE2 3.18Å; L369-E373 WeakPolarHBondContact O-CB 3.41Å; L369-E373 WeakPolarHBondContact O-CG 3.37Å; L369-E373 PolarHBondContact O-N 3.46Å; C370-E373 PolarHBondContact O-N 2.82Å; E373-L376 PolarHBondContact O-N 3.44Å; E373-A377 WeakPolarHBondContact O-CB 3.22Å; E373-A377 PolarHBondContact O-N 3.42Å; E373-L411 HydrophobicContact CG-CD1 4.21Å
374Q96.7Very high94.8Very high7 Ų742 Ų423%0.03325%0.254CS..Hα-helixtrans-66.7-42.9179.2-64.9-68.7-43.200111.6C370 K371 V372 L376 A377 T378 T479 R481C370-Q374 WeakPolarHBondContact O-CB 3Å; C370-Q374 WeakPolarHBondContact O-CG 3.38Å; C370-Q374 PolarHBondContact O-N 2.73Å; K371-Q374 PolarHBondContact O-N 3.03Å; V372-Q374 VanDerWaalsContact C-N 3.31Å; V372-Q374 PolarHBondContact O-N 3.28Å; Q374-L376 VanDerWaalsContact C-N 3.3Å; Q374-L376 PolarHBondContact O-N 3.11Å; Q374-A377 PolarHBondContact O-N 2.98Å; Q374-T378 WeakPolarHBondContact O-CG2 3.07Å; Q374-T378 PolarHBondContact O-N 3.03Å; Q374-T378 PolarHBondContact O-OG1 3.04Å; Q374-T479 WeakPolarHBondContact CG-O 3.31Å; Q374-R481 PolarHBondContact O-NH2 2.82Å
375D96.8Very high94.8Very high30 Ų3042.7 Ų42.716%0.1625%0.25CC..Hα-helixtrans-58.7-42.4176.1-71.3-3.6000111.9K371 V372 G379 C380 I387 L393 R481K371-D375 VanDerWaalsContact O-CG 3.22Å; K371-D375 PolarHBondContact O-N 2.98Å; K371-D375 VanDerWaalsContact O-N 3.1Å; V372-D375 PolarHBondContact O-N 3.41Å; D375-G379 CarbonylContact O-C 3.57Å; D375-G379 WeakPolarHBondContact O-CA 3.37Å; D375-G379 PolarHBondContact O-N 2.97Å; D375-C380 WeakPolarHBondContact CA-O 3.43Å; D375-C380 PolarHBondContact O-N 2.92Å; D375-I387 HydrophobicContact CB-CD1 3.91Å; D375-I387 HydrophobicContact CB-CG1 4.12Å; D375-I387 WeakPolarHBondContact O-CG1 3.45Å; D375-L393 HydrophobicContact CB-CD1 4.34Å; D375-R481 IonicContact OD1-CZ 2.81Å; D375-R481 IonicContact OD1-NH2 2.79Å; D375-R481 PolarHBondContact OD1-NH2 2.98Å
376L96.6Very high94.8Very high5 Ų550 Ų503%0.02628%0.277CS..Hα-helixtrans-68.7-51.6176.6-64.9177.1000111.2V372 E373 Q374 T378 G379 P390 I394 L411 V414 T418V372-L376 HydrophobicContact CG1-CD1 3.99Å; V372-L376 HydrophobicContact CG1-CG 4.19Å; V372-L376 VanDerWaalsContact O-CG 3.23Å; V372-L376 WeakPolarHBondContact O-CG 3.44Å; V372-L376 PolarHBondContact O-N 3Å; E373-L376 PolarHBondContact O-N 3.44Å; Q374-L376 VanDerWaalsContact C-N 3.3Å; Q374-L376 PolarHBondContact O-N 3.11Å; L376-T378 PolarHBondContact O-N 3.25Å; L376-G379 PolarHBondContact O-N 3.21Å; L376-P390 HydrophobicContact CD2-CB 3.61Å; L376-P390 HydrophobicContact CD2-CG 4.43Å; L376-I394 HydrophobicContact CD1-CG2 3.6Å; L376-L411 HydrophobicContact CD1-CD1 3.86Å; L376-V414 HydrophobicContact CB-CG1 3.57Å; L376-V414 HydrophobicContact CD1-CG1 3.84Å; L376-V414 HydrophobicContact CG-CG1 4.39Å; L376-T418 HydrophobicContact CB-CG2 4.3Å; L376-T418 WeakPolarHBondContact O-CG2 3.46Å
377A95.3Very high94.8Very high13 Ų1350.9 Ų50.911%0.10728%0.281CS..Hα-helixtrans-63.2-38.4-17400000113M244 L248 E373 Q374 W482M244-A377 HydrophobicContact CE-CB 4.36Å; M244-A377 HydrophobicContact CG-CB 3.97Å; M244-A377 HydrophobicContact SD-CB 3.81Å; L248-A377 HydrophobicContact CD1-CB 3.97Å; L248-A377 HydrophobicContact CD2-CB 4.01Å; E373-A377 WeakPolarHBondContact O-CB 3.22Å; E373-A377 PolarHBondContact O-N 3.42Å; Q374-A377 PolarHBondContact O-N 2.98Å; A377-W482 HydrophobicContact CB-CD2 4.3Å; A377-W482 HydrophobicContact CB-CE3 3.8Å; A377-W482 HydrophobicContact CB-CZ3 4.34Å; A377-W482 VanDerWaalsContact O-CZ3 3.31Å; A377-W482 WeakPolarHBondContact O-CZ3 3.3Å
378T93.5Very high94.6Very high50 Ų5060 Ų6031%0.30731%0.313SS..Hα-helixtrans-85.8-21177.165.70000112.8Q374 L376 C380 R481Q374-T378 WeakPolarHBondContact O-CG2 3.07Å; Q374-T378 PolarHBondContact O-N 3.03Å; Q374-T378 PolarHBondContact O-OG1 3.04Å; L376-T378 PolarHBondContact O-N 3.25Å; T378-C380 PolarHBondContact O-N 3.33Å; T378-C380 PolarHBondContact OG1-N 2.92Å; T378-C380 PolarHBondContact OG1-O 3.35Å; T378-R481 HydrophobicContact CG2-CB 3.92Å; T378-R481 PolarHBondContact OG1-NH1 2.92Å
379G93.2Very high94.4Very high34 Ų3458.2 Ų58.235%0.35131%0.309SS..SBendtrans77.54.3-175.100000114.4D375 L376 I387D375-G379 CarbonylContact O-C 3.57Å; D375-G379 WeakPolarHBondContact O-CA 3.37Å; D375-G379 PolarHBondContact O-N 2.97Å; L376-G379 PolarHBondContact O-N 3.21Å; G379-I387 PolarHBondContact O-N 3.5Å; G379-I387 VanDerWaalsContact O-N 3.1Å
380C93.5Very high94.2Very high34 Ų3459.1 Ų59.123%0.2332%0.315CS..BIsolated β-bridgetrans-138.5154.7176.760.30000112.1D375 T378 E385 R481D375-C380 WeakPolarHBondContact CA-O 3.43Å; D375-C380 PolarHBondContact O-N 2.92Å; T378-C380 PolarHBondContact O-N 3.33Å; T378-C380 PolarHBondContact OG1-N 2.92Å; T378-C380 PolarHBondContact OG1-O 3.35Å; C380-E385 CarbonylContact C-O 3.5Å; C380-E385 WeakPolarHBondContact CA-O 3.38Å; C380-E385 VanDerWaalsContact CB-O 3.31Å; C380-E385 WeakPolarHBondContact CB-O 3.47Å; C380-R481 PolarHBondContact O-NH1 3.23Å; C380-R481 PolarHBondContact O-NH2 3.09Å
381D93.3Very high94Very high46 Ų4662 Ų6225%0.24633%0.332CS..  trans-73.7-179.7172.366.221.1000111.9D383 G384 E385 I387 R481D381-D383 PolarHBondContact O-N 3.11Å; D381-D383 VanDerWaalsContact O-N 3.17Å; D381-D383 WeakPolarHBondContact OD1-CA 3.4Å; D381-D383 PolarHBondContact OD1-N 3.45Å; D381-G384 PolarHBondContact O-N 3.36Å; D381-G384 PolarHBondContact OD1-N 3Å; D381-G384 VanDerWaalsContact OD1-N 3.12Å; D381-E385 PolarHBondContact N-O 2.9Å; D381-E385 PolarHBondContact OD1-N 3.1Å; D381-I387 HydrophobicContact CB-CD1 3.94Å; D381-R481 PolarHBondContact O-NH1 3.31Å
382A90.6Very high93.9Very high44 Ų4464.1 Ų64.136%0.36434%0.341SS..THydrogen-bonded Turntrans-60.8-21.4-179.100000114.1Q478A382-Q478 HydrophobicContact CB-CB 4.11Å; A382-Q478 HydrophobicContact CB-CG 3.93Å
383D90.1Very high93.8Very high140 Ų14066 Ų6675%0.74935%0.351SS*.THydrogen-bonded Turntrans-90.7-3.5178-61.5-45.3000112.1D381D381-D383 PolarHBondContact O-N 3.11Å; D381-D383 VanDerWaalsContact O-N 3.17Å; D381-D383 WeakPolarHBondContact OD1-CA 3.4Å; D381-D383 PolarHBondContact OD1-N 3.45Å
384G88.7Confident93.7Very high51 Ų5166 Ų6653%0.52635%0.351SS..SBendtrans88.95.7-179.800000113.8D381D381-G384 PolarHBondContact O-N 3.36Å; D381-G384 PolarHBondContact OD1-N 3Å; D381-G384 VanDerWaalsContact OD1-N 3.12Å
385E93.6Very high93.6Very high121 Ų12167.7 Ų67.757%0.56536%0.362SS*.PPolyproline II helixtrans-79.1137.4179.7-69.6-65.4147.200111.1C380 D381 I387C380-E385 CarbonylContact C-O 3.5Å; C380-E385 WeakPolarHBondContact CA-O 3.38Å; C380-E385 VanDerWaalsContact CB-O 3.31Å; C380-E385 WeakPolarHBondContact CB-O 3.47Å; D381-E385 PolarHBondContact N-O 2.9Å; D381-E385 PolarHBondContact OD1-N 3.1Å; E385-I387 PolarHBondContact O-N 3.38Å
386K94.5Very high93.6Very high170 Ų17069.8 Ų69.874%0.73938%0.377SS*.BIsolated β-bridgetrans-66.3132.3-175.5-175.6175.6-178.3176.60111.8R388K386-R388 PolarHBondContact O-N 3.15Å
387I94.8Very high93.6Very high29 Ų2970.5 Ų70.515%0.14938%0.38CS..PPolyproline II helixtrans-67.1119.2175.4-55.6-52.9000110.5D375 G379 D381 E385 P390 L393D375-I387 HydrophobicContact CB-CD1 3.91Å; D375-I387 HydrophobicContact CB-CG1 4.12Å; D375-I387 WeakPolarHBondContact O-CG1 3.45Å; G379-I387 PolarHBondContact O-N 3.5Å; G379-I387 VanDerWaalsContact O-N 3.1Å; D381-I387 HydrophobicContact CB-CD1 3.94Å; E385-I387 PolarHBondContact O-N 3.38Å; I387-P390 HydrophobicContact CG2-CG 3.97Å; I387-L393 HydrophobicContact CD1-CD1 4.24Å; I387-L393 HydrophobicContact CG2-CD1 3.71Å
388R92.1Very high93.6Very high232 Ų23269.9 Ų69.988%0.87538%0.375SS*.SBendtrans-89.3-39.9-177.2-60.6-175.5-174.2-176.82.4113.5K386K386-R388 PolarHBondContact O-N 3.15Å
389D93Very high93.8Very high85 Ų8572.3 Ų72.346%0.45539%0.385SS..  trans-13282.9-177.8-171.9-7.2000111V391 K392D389-V391 PolarHBondContact O-N 2.95Å; D389-V391 PolarHBondContact OD1-N 2.95Å; D389-K392 HydrophobicContact CB-CB 4.12Å; D389-K392 PolarHBondContact O-N 3.02Å; D389-K392 PolarHBondContact OD1-N 3.41Å; D389-K392 WeakPolarHBondContact OD2-CB 3.2Å
390P93.1Very high93.8Very high22 Ų2274.3 Ų74.314%0.14339%0.386CS..Hα-helixtrans-55.8-34176.5-29.437.6000113.8L376 I387 K392 L393 I394L376-P390 HydrophobicContact CD2-CB 3.61Å; L376-P390 HydrophobicContact CD2-CG 4.43Å; I387-P390 HydrophobicContact CG2-CG 3.97Å; P390-K392 VanDerWaalsContact C-N 3.33Å; P390-K392 PolarHBondContact O-N 2.94Å; P390-L393 PolarHBondContact O-N 3.36Å; P390-I394 PolarHBondContact O-N 2.95Å
391V92.6Very high93.8Very high60 Ų6078.2 Ų78.236%0.36441%0.41SS..Hα-helixtrans-68.5-37.5-175179.30000110.4D389 L393 I394 T395D389-V391 PolarHBondContact O-N 2.95Å; D389-V391 PolarHBondContact OD1-N 2.95Å; V391-L393 VanDerWaalsContact C-N 3.25Å; V391-L393 PolarHBondContact O-N 3.49Å; V391-I394 WeakPolarHBondContact O-CG1 3.5Å; V391-I394 PolarHBondContact O-N 2.98Å; V391-T395 WeakPolarHBondContact O-CB 3.44Å; V391-T395 PolarHBondContact O-N 3.44Å; V391-T395 PolarHBondContact O-OG1 3.36Å
392K94.5Very high93.8Very high156 Ų15681.5 Ų81.568%0.67843%0.432SS*.Hα-helixtrans-62.7-30.4174.8-174177.6179.5-177.40113.3D389 P390 P396D389-K392 HydrophobicContact CB-CB 4.12Å; D389-K392 PolarHBondContact O-N 3.02Å; D389-K392 PolarHBondContact OD1-N 3.41Å; D389-K392 WeakPolarHBondContact OD2-CB 3.2Å; P390-K392 VanDerWaalsContact C-N 3.33Å; P390-K392 PolarHBondContact O-N 2.94Å; K392-P396 VanDerWaalsContact O-CD 3.24Å; K392-P396 WeakPolarHBondContact O-CD 3.31Å
393L95.3Very high94Very high58 Ų5880.2 Ų80.230%0.30442%0.42SS..Hα-helixtrans-76.1-41.9177.5-60.5179.3000112V372 D375 I387 P390 V391V372-L393 HydrophobicContact CG1-CB 3.87Å; V372-L393 HydrophobicContact CG2-CB 4.48Å; D375-L393 HydrophobicContact CB-CD1 4.34Å; I387-L393 HydrophobicContact CD1-CD1 4.24Å; I387-L393 HydrophobicContact CG2-CD1 3.71Å; P390-L393 PolarHBondContact O-N 3.36Å; V391-L393 VanDerWaalsContact C-N 3.25Å; V391-L393 PolarHBondContact O-N 3.49Å
394I96Very high94.1Very high0 Ų077.6 Ų77.60%041%0.406CS..Hα-helixtrans-78.8-34.8-176.767.1-177.3000113V372 L376 P390 V391 L397 L398 L411 H415 L430V372-I394 HydrophobicContact CG1-CG2 3.86Å; L376-I394 HydrophobicContact CD1-CG2 3.6Å; P390-I394 PolarHBondContact O-N 2.95Å; V391-I394 WeakPolarHBondContact O-CG1 3.5Å; V391-I394 PolarHBondContact O-N 2.98Å; I394-L397 PolarHBondContact O-N 2.66Å; I394-L398 HydrophobicContact CB-CD1 4.44Å; I394-L398 HydrophobicContact CB-CG 4.49Å; I394-L398 HydrophobicContact CD1-CD1 4.17Å; I394-L398 HydrophobicContact CG1-CD1 4.08Å; I394-L398 WeakPolarHBondContact O-CG 3.48Å; I394-L398 PolarHBondContact O-N 3.41Å; I394-L411 HydrophobicContact CB-CD2 3.76Å; I394-L411 HydrophobicContact CB-CG 4Å; I394-L411 HydrophobicContact CG2-CD1 3.88Å; I394-L411 HydrophobicContact CG2-CD2 3.91Å; I394-L411 HydrophobicContact CG2-CG 3.69Å; I394-H415 HydrophobicContact CD1-CB 4.02Å; I394-L430 HydrophobicContact CD1-CD2 4Å
395T95.3Very high94.4Very high42 Ų4278.8 Ų78.826%0.25841%0.405SS..Hα-helixtrans-54.5-45.4-170.8-620000113.5V391 L397 L398 I399V391-T395 WeakPolarHBondContact O-CB 3.44Å; V391-T395 PolarHBondContact O-N 3.44Å; V391-T395 PolarHBondContact O-OG1 3.36Å; T395-L397 VanDerWaalsContact C-N 3.26Å; T395-L397 PolarHBondContact O-N 3.08Å; T395-L398 PolarHBondContact O-N 3.41Å; T395-I399 WeakPolarHBondContact O-CG1 3.35Å; T395-I399 PolarHBondContact O-N 3.16Å; T395-I399 VanDerWaalsContact O-N 3.15Å
396P96.3Very high94.5Very high74 Ų7474.1 Ų74.148%0.48139%0.385SS..Hα-helixtrans-58.7-35.2177.1-25.335.7000113.9K392 E400K392-P396 VanDerWaalsContact O-CD 3.24Å; K392-P396 WeakPolarHBondContact O-CD 3.31Å; P396-E400 WeakPolarHBondContact O-CB 3.43Å; P396-E400 PolarHBondContact O-N 2.99Å
397L96.4Very high94.6Very high19 Ų1967.1 Ų67.110%0.09936%0.356CS..Hα-helixtrans-78.2-33179-62.5174.3000111.9K368 L369 V372 I394 T395 L411K368-L397 HydrophobicContact CB-CD2 4.06Å; L369-L397 HydrophobicContact CD2-CD1 4.13Å; V372-L397 HydrophobicContact CB-CD1 3.97Å; V372-L397 HydrophobicContact CG1-CD1 4.5Å; V372-L397 HydrophobicContact CG2-CD1 3.6Å; I394-L397 PolarHBondContact O-N 2.66Å; T395-L397 VanDerWaalsContact C-N 3.26Å; T395-L397 PolarHBondContact O-N 3.08Å; L397-L411 HydrophobicContact CB-CD2 3.84Å; L397-L411 HydrophobicContact CD1-CD2 3.98Å
398L96.2Very high94.7Very high0 Ų066.5 Ų66.50%035%0.352CS..Hα-helixtrans-66.6-41.6177-64.3-177.7000111.9I394 T395 K408 L411 V412 L430 A434I394-L398 HydrophobicContact CB-CD1 4.44Å; I394-L398 HydrophobicContact CB-CG 4.49Å; I394-L398 HydrophobicContact CD1-CD1 4.17Å; I394-L398 HydrophobicContact CG1-CD1 4.08Å; I394-L398 WeakPolarHBondContact O-CG 3.48Å; I394-L398 PolarHBondContact O-N 3.41Å; T395-L398 PolarHBondContact O-N 3.41Å; L398-K408 HydrophobicContact CD2-CB 3.95Å; L398-K408 HydrophobicContact CD2-CG 4.26Å; L398-K408 WeakPolarHBondContact O-CD 3.36Å; L398-K408 WeakPolarHBondContact O-CE 3.15Å; L398-K408 PolarHBondContact O-NZ 3.36Å; L398-L411 HydrophobicContact CD2-CD2 4.19Å; L398-V412 HydrophobicContact CD1-CG2 4.13Å; L398-V412 HydrophobicContact CD2-CG2 3.83Å; L398-L430 HydrophobicContact CD1-CD2 3.97Å; L398-A434 HydrophobicContact CB-CB 4.09Å; L398-A434 HydrophobicContact CD2-CB 4.14Å; L398-A434 WeakPolarHBondContact O-CA 3.43Å
399I95.8Very high94.9Very high101 Ų10155.9 Ų55.952%0.51831%0.312SS..Hα-helixtrans-80.8-14.3-178.767.7178000113.7T395 P401 H433T395-I399 WeakPolarHBondContact O-CG1 3.35Å; T395-I399 PolarHBondContact O-N 3.16Å; T395-I399 VanDerWaalsContact O-N 3.15Å; I399-P401 VanDerWaalsContact O-CD 3.27Å; I399-P401 WeakPolarHBondContact O-CD 3.19Å; I399-H433 HydrophobicContact CG2-CB 4.35Å
400E94.7Very high95.1Very high76 Ų7652 Ų5236%0.35529%0.291SS..  trans-68.6118.6-178.217655.1-121.400110.6P396 T402 V403 K408P396-E400 WeakPolarHBondContact O-CB 3.43Å; P396-E400 PolarHBondContact O-N 2.99Å; E400-T402 VanDerWaalsContact CD-OG1 3.25Å; E400-T402 WeakPolarHBondContact CG-OG1 3.36Å; E400-T402 PolarHBondContact O-N 3.14Å; E400-T402 WeakPolarHBondContact OE1-CG2 3.41Å; E400-T402 PolarHBondContact OE1-N 3.17Å; E400-T402 PolarHBondContact OE1-OG1 3.44Å; E400-V403 HydrophobicContact CB-CG2 3.9Å; E400-V403 HydrophobicContact CG-CG2 3.77Å; E400-V403 PolarHBondContact O-N 3.37Å; E400-K408 VanDerWaalsContact O-CE 3.29Å; E400-K408 WeakPolarHBondContact O-CE 3.32Å; E400-K408 PolarHBondContact O-NZ 2.86Å
401P93.2Very high95.3Very high116 Ų11651 Ų5175%0.75329%0.285SS*.THydrogen-bonded Turntrans-67.4-22.8-177.2-23.935.2000114.4I399I399-P401 VanDerWaalsContact O-CD 3.27Å; I399-P401 WeakPolarHBondContact O-CD 3.19Å
402T93Very high95.5Very high115 Ų11548.1 Ų48.171%0.70627%0.267SS*.THydrogen-bonded Turntrans-80.1-14.4-179.656.80000114.1E400E400-T402 VanDerWaalsContact CD-OG1 3.25Å; E400-T402 WeakPolarHBondContact CG-OG1 3.36Å; E400-T402 PolarHBondContact O-N 3.14Å; E400-T402 WeakPolarHBondContact OE1-CG2 3.41Å; E400-T402 PolarHBondContact OE1-N 3.17Å; E400-T402 PolarHBondContact OE1-OG1 3.44Å
403V94.8Very high95.6Very high18 Ų1840.8 Ų40.811%0.10924%0.236CC..SBendtrans-78.6131.9176176.80000109.6L369 E400 D407 K408L369-V403 HydrophobicContact CD1-CG1 4.37Å; L369-V403 HydrophobicContact CD2-CG1 4.17Å; E400-V403 HydrophobicContact CB-CG2 3.9Å; E400-V403 HydrophobicContact CG-CG2 3.77Å; E400-V403 PolarHBondContact O-N 3.37Å; V403-D407 HydrophobicContact CG1-CB 3.97Å; V403-K408 HydrophobicContact CB-CG 4.43Å; V403-K408 HydrophobicContact CG1-CG 3.77Å; V403-K408 VanDerWaalsContact O-CE 3.27Å; V403-K408 WeakPolarHBondContact O-CE 3.46Å
404D93.5Very high95.7Very high85 Ų8538 Ų3846%0.45522%0.221SC..  trans-61.8139.7-179.5-169.7-84.3000111.6C406 D407 K408D404-C406 PolarHBondContact O-N 2.78Å; D404-C406 WeakPolarHBondContact OD1-CA 3.47Å; D404-C406 WeakPolarHBondContact OD1-CB 3.37Å; D404-C406 PolarHBondContact OD1-N 2.89Å; D404-D407 HydrophobicContact CB-CB 4.41Å; D404-D407 WeakPolarHBondContact O-CB 3.35Å; D404-D407 PolarHBondContact O-N 2.87Å; D404-K408 PolarHBondContact O-N 3.08Å; D404-K408 VanDerWaalsContact O-N 3.08Å
405P94.1Very high95.8Very high76 Ų7638.6 Ų38.649%0.49422%0.224SC..Hα-helixtrans-54.6-36176.7-27.335.8000114.1K408 I409P405-K408 PolarHBondContact O-N 2.59Å; P405-I409 WeakPolarHBondContact O-CG1 3.24Å; P405-I409 PolarHBondContact O-N 3.48Å
406C94.5Very high95.8Very high22 Ų2236.6 Ų36.615%0.14921%0.212CC..Hα-helixtrans-61.1-44.3175.8-172.90000110.9D404 K408 I409 R410 L602D404-C406 PolarHBondContact O-N 2.78Å; D404-C406 WeakPolarHBondContact OD1-CA 3.47Å; D404-C406 WeakPolarHBondContact OD1-CB 3.37Å; D404-C406 PolarHBondContact OD1-N 2.89Å; C406-K408 VanDerWaalsContact C-N 3.34Å; C406-K408 PolarHBondContact O-N 2.93Å; C406-I409 WeakPolarHBondContact O-CB 3.29Å; C406-I409 PolarHBondContact O-N 2.97Å; C406-R410 WeakPolarHBondContact O-CG 3.28Å; C406-R410 PolarHBondContact O-N 3.05Å; C406-L602 VanDerWaalsContact SG-CD1 3.52Å
407D96.7Very high95.7Very high24 Ų2434.1 Ų34.113%0.12819%0.194CC..Hα-helixtrans-66.3-35.8177.6-66.2-26.3000112.5H249 L369 V403 D404 R410 L411H249-D407 IonicContact CE1-OD1 3.96Å; H249-D407 PolarHBondContact CE1-OD1 3.42Å; H249-D407 IonicContact NE2-OD1 2.94Å; H249-D407 PolarHBondContact NE2-OD1 2.91Å; L369-D407 HydrophobicContact CD1-CB 3.71Å; L369-D407 HydrophobicContact CD2-CB 4.26Å; V403-D407 HydrophobicContact CG1-CB 3.97Å; D404-D407 HydrophobicContact CB-CB 4.41Å; D404-D407 WeakPolarHBondContact O-CB 3.35Å; D404-D407 PolarHBondContact O-N 2.87Å; D407-R410 PolarHBondContact O-N 3.27Å; D407-R410 IonicContact OD1-CZ 2.73Å; D407-R410 IonicContact OD1-NH1 3.14Å; D407-R410 PolarHBondContact OD1-NH1 2.87Å; D407-L411 WeakPolarHBondContact O-CB 3.38Å; D407-L411 PolarHBondContact O-N 2.78Å
408K97Very high95.5Very high15 Ų1535.8 Ų35.87%0.06521%0.205CC..Hα-helixtrans-63.9-42.1172.2-63.5-179.5-175.1-172.50111.5L398 E400 V403 D404 P405 C406 L411 V412 A434 I436L398-K408 HydrophobicContact CD2-CB 3.95Å; L398-K408 HydrophobicContact CD2-CG 4.26Å; L398-K408 WeakPolarHBondContact O-CD 3.36Å; L398-K408 WeakPolarHBondContact O-CE 3.15Å; L398-K408 PolarHBondContact O-NZ 3.36Å; E400-K408 VanDerWaalsContact O-CE 3.29Å; E400-K408 WeakPolarHBondContact O-CE 3.32Å; E400-K408 PolarHBondContact O-NZ 2.86Å; V403-K408 HydrophobicContact CB-CG 4.43Å; V403-K408 HydrophobicContact CG1-CG 3.77Å; V403-K408 VanDerWaalsContact O-CE 3.27Å; V403-K408 WeakPolarHBondContact O-CE 3.46Å; D404-K408 PolarHBondContact O-N 3.08Å; D404-K408 VanDerWaalsContact O-N 3.08Å; P405-K408 PolarHBondContact O-N 2.59Å; C406-K408 VanDerWaalsContact C-N 3.34Å; C406-K408 PolarHBondContact O-N 2.93Å; K408-L411 PolarHBondContact O-N 3.49Å; K408-V412 VanDerWaalsContact O-CG2 3.31Å; K408-V412 WeakPolarHBondContact O-CG2 3.47Å; K408-V412 PolarHBondContact O-N 2.95Å; K408-A434 HydrophobicContact CB-CB 4.35Å; K408-A434 HydrophobicContact CD-CB 4.13Å; K408-A434 WeakPolarHBondContact CD-O 3.34Å; K408-A434 PolarHBondContact NZ-O 3.42Å; K408-I436 HydrophobicContact CB-CD1 3.81Å; K408-I436 HydrophobicContact CB-CG1 4.44Å
409I97Very high95.3Very high9 Ų942.8 Ų42.85%0.04623%0.232CC..Hα-helixtrans-61.5-47.1175.1-68.3169.4000110.3P405 C406 L411 V412 M413 I436 E440 I444 L602P405-I409 WeakPolarHBondContact O-CG1 3.24Å; P405-I409 PolarHBondContact O-N 3.48Å; C406-I409 WeakPolarHBondContact O-CB 3.29Å; C406-I409 PolarHBondContact O-N 2.97Å; I409-L411 VanDerWaalsContact C-N 3.33Å; I409-L411 PolarHBondContact O-N 3.34Å; I409-V412 PolarHBondContact O-N 3.43Å; I409-M413 HydrophobicContact CG2-CG 4.35Å; I409-M413 HydrophobicContact CG2-SD 4.04Å; I409-M413 WeakPolarHBondContact O-CG 3.4Å; I409-M413 PolarHBondContact O-N 3.01Å; I409-I436 HydrophobicContact CG1-CD1 3.68Å; I409-I436 HydrophobicContact CG1-CG1 4.48Å; I409-I436 HydrophobicContact CG1-CG2 4.44Å; I409-E440 HydrophobicContact CD1-CB 4.19Å; I409-E440 HydrophobicContact CD1-CG 4.36Å; I409-I444 HydrophobicContact CG2-CD1 4.37Å; I409-I444 HydrophobicContact CG2-CG1 4.01Å; I409-L602 HydrophobicContact CB-CD1 4.39Å; I409-L602 HydrophobicContact CG2-CD1 4.03Å; I409-L602 HydrophobicContact CG2-CD2 3.89Å
410R97.5Very high95.1Very high4 Ų439 Ų392%0.01521%0.212CC..Hα-helixtrans-53.7-50.6175.8-68.8163.467.1164.413.5110.8L247 L248 H249 D259 C406 D407 V412 M413 V414 L602L247-R410 HydrophobicContact CD2-CG 4.36Å; L247-R410 PolarHBondContact O-NE 3.41Å; L247-R410 PolarHBondContact O-NH2 3.01Å; L247-R410 VanDerWaalsContact O-NH2 3.1Å; L248-R410 VanDerWaalsContact C-NH2 3.31Å; L248-R410 PolarHBondContact O-NH2 2.97Å; H249-R410 PolarHBondContact CE1-NH1 3.38Å; H249-R410 VanDerWaalsContact CG-NH2 3.34Å; H249-R410 PolarHBondContact ND1-NH2 2.99Å; H249-R410 PolarHBondContact NE2-NH1 2.89Å; D259-R410 IonicContact OD1-CZ 2.96Å; D259-R410 IonicContact OD1-NH1 3.03Å; D259-R410 PolarHBondContact OD1-NH1 3.33Å; D259-R410 VanDerWaalsContact OD1-NH1 3.09Å; D259-R410 IonicContact OD1-NH2 2.79Å; D259-R410 IonicContact OD2-CZ 4Å; D259-R410 IonicContact OD2-NH1 3.21Å; D259-R410 PolarHBondContact OD2-NH1 2.89Å; D259-R410 IonicContact OD2-NH2 3.31Å; D259-R410 PolarHBondContact OD2-NH2 2.79Å; C406-R410 WeakPolarHBondContact O-CG 3.28Å; C406-R410 PolarHBondContact O-N 3.05Å; D407-R410 PolarHBondContact O-N 3.27Å; D407-R410 IonicContact OD1-CZ 2.73Å; D407-R410 IonicContact OD1-NH1 3.14Å; D407-R410 PolarHBondContact OD1-NH1 2.87Å; R410-V412 PolarHBondContact O-N 3.21Å; R410-M413 PolarHBondContact O-N 3.48Å; R410-V414 VanDerWaalsContact O-CG2 3.31Å; R410-V414 WeakPolarHBondContact O-CG2 3.49Å; R410-V414 PolarHBondContact O-N 3.13Å; R410-L602 HydrophobicContact CG-CD1 3.96Å
411L96.9Very high95Very high1 Ų135.4 Ų35.41%0.00520%0.195CC..Hα-helixtrans-62.3-42-179-167.862.3000112.9V372 E373 L376 I394 L397 L398 D407 K408 I409 H415V372-L411 HydrophobicContact CB-CD1 4.41Å; V372-L411 HydrophobicContact CG1-CD1 3.89Å; E373-L411 HydrophobicContact CG-CD1 4.21Å; L376-L411 HydrophobicContact CD1-CD1 3.86Å; I394-L411 HydrophobicContact CB-CD2 3.76Å; I394-L411 HydrophobicContact CB-CG 4Å; I394-L411 HydrophobicContact CG2-CD1 3.88Å; I394-L411 HydrophobicContact CG2-CD2 3.91Å; I394-L411 HydrophobicContact CG2-CG 3.69Å; L397-L411 HydrophobicContact CB-CD2 3.84Å; L397-L411 HydrophobicContact CD1-CD2 3.98Å; L398-L411 HydrophobicContact CD2-CD2 4.19Å; D407-L411 WeakPolarHBondContact O-CB 3.38Å; D407-L411 PolarHBondContact O-N 2.78Å; K408-L411 PolarHBondContact O-N 3.49Å; I409-L411 VanDerWaalsContact C-N 3.33Å; I409-L411 PolarHBondContact O-N 3.34Å; L411-H415 PolarHBondContact O-N 3.05Å
412V97Very high95.1Very high0 Ų030.2 Ų30.20%016%0.161CC..Hα-helixtrans-63.3-43.8174.9171.30000110.6L398 K408 I409 R410 H415 I416 L427 L430 I444L398-V412 HydrophobicContact CD1-CG2 4.13Å; L398-V412 HydrophobicContact CD2-CG2 3.83Å; K408-V412 VanDerWaalsContact O-CG2 3.31Å; K408-V412 WeakPolarHBondContact O-CG2 3.47Å; K408-V412 PolarHBondContact O-N 2.95Å; I409-V412 PolarHBondContact O-N 3.43Å; R410-V412 PolarHBondContact O-N 3.21Å; V412-H415 WeakPolarHBondContact O-CB 3.26Å; V412-H415 PolarHBondContact O-N 3.12Å; V412-I416 HydrophobicContact CG1-CD1 3.84Å; V412-I416 HydrophobicContact CG1-CG1 4.48Å; V412-I416 VanDerWaalsContact O-CG1 3.27Å; V412-I416 WeakPolarHBondContact O-CG1 3.32Å; V412-I416 PolarHBondContact O-N 3.49Å; V412-L427 HydrophobicContact CG1-CD1 4Å; V412-L430 HydrophobicContact CG1-CD1 4.37Å; V412-L430 HydrophobicContact CG2-CB 4.4Å; V412-I444 HydrophobicContact CB-CD1 4.44Å; V412-I444 HydrophobicContact CG1-CD1 3.88Å
413M97.6Very high95.2Very high2 Ų226.5 Ų26.51%0.0114%0.14CC..Hα-helixtrans-64.1-46.1177.7-72.1-175.171.100112.1L247 I409 R410 H415 I416 L417 I444 A447 L602 L605L247-M413 HydrophobicContact CD1-CB 3.6Å; L247-M413 HydrophobicContact CD1-CE 4.21Å; L247-M413 HydrophobicContact CD2-CB 4.4Å; L247-M413 HydrophobicContact CD2-CE 4.26Å; L247-M413 HydrophobicContact CD2-SD 3.99Å; I409-M413 HydrophobicContact CG2-CG 4.35Å; I409-M413 HydrophobicContact CG2-SD 4.04Å; I409-M413 WeakPolarHBondContact O-CG 3.4Å; I409-M413 PolarHBondContact O-N 3.01Å; R410-M413 PolarHBondContact O-N 3.48Å; M413-H415 VanDerWaalsContact C-N 3.26Å; M413-H415 PolarHBondContact O-N 3.16Å; M413-I416 PolarHBondContact O-N 3.06Å; M413-L417 VanDerWaalsContact O-CG 3.26Å; M413-L417 WeakPolarHBondContact O-CG 3.44Å; M413-L417 PolarHBondContact O-N 3.07Å; M413-I444 HydrophobicContact CG-CB 4.46Å; M413-I444 HydrophobicContact CG-CG1 3.92Å; M413-I444 HydrophobicContact CG-CG2 4.18Å; M413-I444 HydrophobicContact SD-CG1 4.34Å; M413-A447 HydrophobicContact CE-CB 3.9Å; M413-L602 HydrophobicContact CE-CD2 4.5Å; M413-L602 HydrophobicContact SD-CD2 3.45Å; M413-L602 WeakPolarHBondContact SD-CD2 3.23Å; M413-L605 HydrophobicContact CE-CD1 3.63Å; M413-L605 HydrophobicContact SD-CD1 4.4Å
414V97.4Very high95.2Very high0 Ų031 Ų310%016%0.16CC..Hα-helixtrans-54.3-45.8173.8169.70000110.2M244 L247 L248 L376 R410 I416 L417 T418M244-V414 HydrophobicContact CE-CG1 4.25Å; M244-V414 HydrophobicContact SD-CB 4.21Å; M244-V414 HydrophobicContact SD-CG1 3.78Å; M244-V414 HydrophobicContact SD-CG2 3.85Å; L247-V414 HydrophobicContact CB-CG2 4.04Å; L247-V414 HydrophobicContact CD1-CG2 4.27Å; L248-V414 HydrophobicContact CD2-CG2 4.1Å; L376-V414 HydrophobicContact CB-CG1 3.57Å; L376-V414 HydrophobicContact CD1-CG1 3.84Å; L376-V414 HydrophobicContact CG-CG1 4.39Å; R410-V414 VanDerWaalsContact O-CG2 3.31Å; R410-V414 WeakPolarHBondContact O-CG2 3.49Å; R410-V414 PolarHBondContact O-N 3.13Å; V414-I416 PolarHBondContact O-N 3.06Å; V414-L417 PolarHBondContact O-N 2.86Å; V414-T418 VanDerWaalsContact O-CG2 3.24Å; V414-T418 WeakPolarHBondContact O-CG2 3.28Å; V414-T418 PolarHBondContact O-N 3.34Å; V414-T418 VanDerWaalsContact O-N 3.12Å; V414-T418 PolarHBondContact O-OG1 2.87Å
415H96.3Very high95.2Very high12 Ų1232.7 Ų32.76%0.05617%0.165CC..Hα-helixtrans-58.7-45.7174.9175.765.1000112.9I394 L411 V412 M413 L417 T418 R419I394-H415 HydrophobicContact CD1-CB 4.02Å; L411-H415 PolarHBondContact O-N 3.05Å; V412-H415 WeakPolarHBondContact O-CB 3.26Å; V412-H415 PolarHBondContact O-N 3.12Å; M413-H415 VanDerWaalsContact C-N 3.26Å; M413-H415 PolarHBondContact O-N 3.16Å; H415-L417 PolarHBondContact O-N 2.77Å; H415-T418 PolarHBondContact O-N 2.73Å; H415-T418 PolarHBondContact O-OG1 3.11Å; H415-R419 WeakPolarHBondContact O-CG 3.49Å; H415-R419 PolarHBondContact O-N 3.49Å
416I95.8Very high95.2Very high0 Ų032.8 Ų32.80%016%0.162CC..Hα-helixtrans-63.5-43.8179.9-66.4165.1000111.6V412 M413 V414 T418 R419 N420 G421 I422 L427 I444 I454V412-I416 HydrophobicContact CG1-CD1 3.84Å; V412-I416 HydrophobicContact CG1-CG1 4.48Å; V412-I416 VanDerWaalsContact O-CG1 3.27Å; V412-I416 WeakPolarHBondContact O-CG1 3.32Å; V412-I416 PolarHBondContact O-N 3.49Å; M413-I416 PolarHBondContact O-N 3.06Å; V414-I416 PolarHBondContact O-N 3.06Å; I416-T418 PolarHBondContact O-N 3.27Å; I416-R419 CarbonylContact O-C 3.31Å; I416-R419 PolarHBondContact O-N 3.35Å; I416-R419 VanDerWaalsContact O-N 3.16Å; I416-N420 PolarHBondContact O-N 2.85Å; I416-G421 PolarHBondContact O-N 2.85Å; I416-G421 VanDerWaalsContact O-N 3.07Å; I416-I422 HydrophobicContact CD1-CD1 3.93Å; I416-I422 HydrophobicContact CD1-CG1 4.33Å; I416-I422 HydrophobicContact CG1-CD1 3.61Å; I416-I422 HydrophobicContact CG1-CG1 3.9Å; I416-I422 HydrophobicContact CG1-CG2 4.31Å; I416-L427 HydrophobicContact CD1-CD1 3.95Å; I416-I444 HydrophobicContact CD1-CG2 3.57Å; I416-I454 HydrophobicContact CD1-CG2 4.47Å; I416-I454 HydrophobicContact CG2-CB 4.47Å; I416-I454 HydrophobicContact CG2-CD1 4.14Å; I416-I454 HydrophobicContact CG2-CG2 4.17Å; I416-I454 WeakPolarHBondContact CG2-O 3.31Å
417L94.5Very high95.2Very high21 Ų2131.8 Ų31.811%0.1116%0.155CC..Hα-helixtrans-63.7-40.8-178.3-66.4171.2000111.6V243 M244 L247 M413 V414 H415 R419 N420 L452 I454V243-L417 HydrophobicContact CB-CD1 4.25Å; V243-L417 HydrophobicContact CG1-CD1 4Å; M244-L417 HydrophobicContact CE-CB 4.04Å; L247-L417 HydrophobicContact CD1-CD1 3.64Å; M413-L417 VanDerWaalsContact O-CG 3.26Å; M413-L417 WeakPolarHBondContact O-CG 3.44Å; M413-L417 PolarHBondContact O-N 3.07Å; V414-L417 PolarHBondContact O-N 2.86Å; H415-L417 PolarHBondContact O-N 2.77Å; L417-R419 PolarHBondContact O-N 3.36Å; L417-N420 PolarHBondContact O-N 3.37Å; L417-N420 VanDerWaalsContact O-N 3.11Å; L417-L452 HydrophobicContact CD2-CD1 3.96Å; L417-I454 HydrophobicContact CD2-CD1 4.4Å
418T92.1Very high95.1Very high54 Ų5432.9 Ų32.933%0.33116%0.162SC..Hα-helixtrans-65.6-28.4176.662.10000112.9M244 L376 V414 H415 I416M244-T418 HydrophobicContact CE-CG2 3.86Å; L376-T418 HydrophobicContact CB-CG2 4.3Å; L376-T418 WeakPolarHBondContact O-CG2 3.46Å; V414-T418 VanDerWaalsContact O-CG2 3.24Å; V414-T418 WeakPolarHBondContact O-CG2 3.28Å; V414-T418 PolarHBondContact O-N 3.34Å; V414-T418 VanDerWaalsContact O-N 3.12Å; V414-T418 PolarHBondContact O-OG1 2.87Å; H415-T418 PolarHBondContact O-N 2.73Å; H415-T418 PolarHBondContact O-OG1 3.11Å; I416-T418 PolarHBondContact O-N 3.27Å
419R91.3Very high95Very high148 Ų14836.4 Ų36.456%0.55818%0.178SC*.Hα-helixtrans-86.9-8.6176-65-66.7-62-174.5-2.6113.3H415 I416 L417 G421 I422H415-R419 WeakPolarHBondContact O-CG 3.49Å; H415-R419 PolarHBondContact O-N 3.49Å; I416-R419 CarbonylContact O-C 3.31Å; I416-R419 PolarHBondContact O-N 3.35Å; I416-R419 VanDerWaalsContact O-N 3.16Å; L417-R419 PolarHBondContact O-N 3.36Å; R419-G421 WeakPolarHBondContact CB-O 3.48Å; R419-G421 PolarHBondContact O-N 3.32Å; R419-I422 HydrophobicContact CB-CG2 4.25Å
420N92.2Very high94.9Very high21 Ų2136.6 Ų36.611%0.11218%0.179CC..THydrogen-bonded Turntrans52.545.2-170.9-168.778.5000111.7I416 L417 N453 F456I416-N420 PolarHBondContact O-N 2.85Å; L417-N420 PolarHBondContact O-N 3.37Å; L417-N420 VanDerWaalsContact O-N 3.11Å; N420-N453 CarbonylContact C-O 3.53Å; N420-N453 PolarHBondContact ND2-ND2 3.04Å; N420-N453 WeakPolarHBondContact O-CB 3.42Å; N420-F456 WeakPolarHBondContact O-CE1 3.13Å
421G93.8Very high94.8Very high0 Ų036.8 Ų36.80%018%0.18CC..  trans112.9160.4-179.600000113.7I416 R419 N453 I454 F456I416-G421 PolarHBondContact O-N 2.85Å; I416-G421 VanDerWaalsContact O-N 3.07Å; R419-G421 WeakPolarHBondContact CB-O 3.48Å; R419-G421 PolarHBondContact O-N 3.32Å; G421-N453 VanDerWaalsContact CA-O 3.23Å; G421-N453 WeakPolarHBondContact CA-O 3.47Å; G421-N453 PolarHBondContact N-O 3.39Å; G421-N453 VanDerWaalsContact N-O 3.14Å; G421-I454 CarbonylContact C-O 3.6Å; G421-I454 VanDerWaalsContact CA-O 3.26Å; G421-I454 WeakPolarHBondContact CA-O 3.44Å; G421-F456 VanDerWaalsContact O-CE1 3.24Å; G421-F456 WeakPolarHBondContact O-CE1 3.02Å; G421-F456 WeakPolarHBondContact O-CZ 3.31Å
422I94.8Very high94.6Very high7 Ų742.8 Ų42.84%0.03621%0.208CC..BIsolated β-bridgetrans-139.3170.6171.562.6173.7000110.9I416 R419 N426 L427 L430 I454 I455 F456I416-I422 HydrophobicContact CD1-CD1 3.93Å; I416-I422 HydrophobicContact CD1-CG1 4.33Å; I416-I422 HydrophobicContact CG1-CD1 3.61Å; I416-I422 HydrophobicContact CG1-CG1 3.9Å; I416-I422 HydrophobicContact CG1-CG2 4.31Å; R419-I422 HydrophobicContact CB-CG2 4.25Å; I422-N426 HydrophobicContact CD1-CB 4.39Å; I422-L427 HydrophobicContact CD1-CB 3.72Å; I422-L427 HydrophobicContact CD1-CD1 4.32Å; I422-L427 HydrophobicContact CG1-CB 4.27Å; I422-L430 HydrophobicContact CD1-CD1 4.01Å; I422-I454 PolarHBondContact N-O 3.41Å; I422-I455 CarbonylContact O-C 3.54Å; I422-I455 VanDerWaalsContact O-CA 3.3Å; I422-I455 WeakPolarHBondContact O-CA 3.29Å; I422-F456 VanDerWaalsContact CA-CE2 3.49Å; I422-F456 PolarHBondContact O-N 2.83Å
423S94.7Very high94.3Very high38 Ų3847.5 Ų47.527%0.26623%0.23SC..  trans-73152.7170.665.90000111.1E425 N426 L427S423-E425 PolarHBondContact O-N 3.41Å; S423-N426 PolarHBondContact O-N 2.97Å; S423-N426 VanDerWaalsContact O-N 3.12Å; S423-N426 WeakPolarHBondContact OG-CB 3.39Å; S423-N426 PolarHBondContact OG-N 3.43Å; S423-N426 PolarHBondContact OG-ND2 3.15Å; S423-L427 PolarHBondContact O-N 3.35Å
424E93.8Very high94.2Very high113 Ų11347.5 Ų47.553%0.52823%0.23SC..Hα-helixtrans-60.3-35.7175.9-175.8171.4-167.400112.7L427 T428 K441 I455E424-L427 PolarHBondContact O-N 3.4Å; E424-T428 WeakPolarHBondContact O-CB 3.44Å; E424-T428 PolarHBondContact O-N 3.37Å; E424-T428 PolarHBondContact O-OG1 2.77Å; E424-K441 IonicContact OE1-NZ 2.69Å; E424-K441 PolarHBondContact OE1-NZ 3.44Å; E424-I455 HydrophobicContact CB-CD1 4.49Å; E424-I455 HydrophobicContact CB-CG2 4.23Å
425E94.2Very high94Very high120 Ų12052.5 Ų52.556%0.56127%0.265SS*.Hα-helixtrans-60.8-45.4173.9-172.3-172.3165.600111.3S423 T428 K429S423-E425 PolarHBondContact O-N 3.41Å; E425-T428 PolarHBondContact O-N 2.92Å; E425-K429 HydrophobicContact CG-CD 4.5Å; E425-K429 WeakPolarHBondContact O-CG 3.28Å; E425-K429 PolarHBondContact O-N 3.36Å; E425-K429 VanDerWaalsContact OE1-CE 3.27Å; E425-K429 WeakPolarHBondContact OE1-CE 3.43Å; E425-K429 IonicContact OE1-NZ 2.64Å; E425-K429 PolarHBondContact OE1-NZ 3.11Å
426N94.4Very high93.9Very high78 Ų7852.5 Ų52.542%0.41727%0.265SS..Hα-helixtrans-67.3-40.1179-74.5-7.5000111.8I422 S423 T428 K429 L430I422-N426 HydrophobicContact CD1-CB 4.39Å; S423-N426 PolarHBondContact O-N 2.97Å; S423-N426 VanDerWaalsContact O-N 3.12Å; S423-N426 WeakPolarHBondContact OG-CB 3.39Å; S423-N426 PolarHBondContact OG-N 3.43Å; S423-N426 PolarHBondContact OG-ND2 3.15Å; N426-T428 VanDerWaalsContact C-N 3.31Å; N426-T428 PolarHBondContact O-N 2.91Å; N426-K429 PolarHBondContact O-N 3.41Å; N426-L430 WeakPolarHBondContact O-CG 3.39Å; N426-L430 PolarHBondContact O-N 2.89Å
427L95.4Very high93.7Very high0 Ų055.4 Ų55.40%028%0.284CS..Hα-helixtrans-58.5-48.1174.2177.156.7000110.5V412 I416 I422 S423 E424 K429 L430 L431 K441 I444 V445 I455V412-L427 HydrophobicContact CG1-CD1 4Å; I416-L427 HydrophobicContact CD1-CD1 3.95Å; I422-L427 HydrophobicContact CD1-CB 3.72Å; I422-L427 HydrophobicContact CD1-CD1 4.32Å; I422-L427 HydrophobicContact CG1-CB 4.27Å; S423-L427 PolarHBondContact O-N 3.35Å; E424-L427 PolarHBondContact O-N 3.4Å; L427-K429 VanDerWaalsContact C-N 3.32Å; L427-K429 PolarHBondContact O-N 3.41Å; L427-L430 PolarHBondContact O-N 3.5Å; L427-L431 HydrophobicContact CD1-CD1 4.11Å; L427-L431 HydrophobicContact CD1-CG 4.08Å; L427-L431 HydrophobicContact CG-CD1 4.12Å; L427-L431 HydrophobicContact CG-CG 4.47Å; L427-L431 WeakPolarHBondContact O-CG 3.41Å; L427-L431 PolarHBondContact O-N 3.18Å; L427-K441 HydrophobicContact CD2-CG 4.05Å; L427-I444 HydrophobicContact CD1-CD1 4.07Å; L427-I444 HydrophobicContact CD1-CG2 4.17Å; L427-I444 HydrophobicContact CD2-CG2 4.35Å; L427-V445 HydrophobicContact CD2-CG2 3.96Å; L427-I455 HydrophobicContact CB-CD1 4.18Å; L427-I455 HydrophobicContact CD2-CD1 3.72Å
428T94.7Very high93.2Very high48 Ų4859.7 Ų59.729%0.29431%0.313SS..Hα-helixtrans-60.6-42.2-179.1-54.90000111.3E424 E425 N426 L431 Q432E424-T428 WeakPolarHBondContact O-CB 3.44Å; E424-T428 PolarHBondContact O-N 3.37Å; E424-T428 PolarHBondContact O-OG1 2.77Å; E425-T428 PolarHBondContact O-N 2.92Å; N426-T428 VanDerWaalsContact C-N 3.31Å; N426-T428 PolarHBondContact O-N 2.91Å; T428-L431 PolarHBondContact O-N 2.95Å; T428-Q432 WeakPolarHBondContact O-CB 3.47Å; T428-Q432 VanDerWaalsContact O-CG 3.28Å; T428-Q432 WeakPolarHBondContact O-CG 3.31Å; T428-Q432 PolarHBondContact O-N 3.38Å
429K94Very high93Very high88 Ų8864.3 Ų64.338%0.38333%0.331SS..Hα-helixtrans-63.1-43.3175.2-72.9175.4-176169.40112.9E425 N426 L427 L431 Q432 H433E425-K429 HydrophobicContact CG-CD 4.5Å; E425-K429 WeakPolarHBondContact O-CG 3.28Å; E425-K429 PolarHBondContact O-N 3.36Å; E425-K429 VanDerWaalsContact OE1-CE 3.27Å; E425-K429 WeakPolarHBondContact OE1-CE 3.43Å; E425-K429 IonicContact OE1-NZ 2.64Å; E425-K429 PolarHBondContact OE1-NZ 3.11Å; N426-K429 PolarHBondContact O-N 3.41Å; L427-K429 VanDerWaalsContact C-N 3.32Å; L427-K429 PolarHBondContact O-N 3.41Å; K429-L431 PolarHBondContact O-N 3.33Å; K429-Q432 PolarHBondContact O-N 3.44Å; K429-H433 PolarHBondContact O-N 2.87Å
430L94.7Very high93Very high13 Ų1360.9 Ų60.97%0.06832%0.322CS..Hα-helixtrans-61.3-44.3177.2-72.7172.6000111.4I394 L398 V412 I422 N426 L427 H433 A434I394-L430 HydrophobicContact CD1-CD2 4Å; L398-L430 HydrophobicContact CD1-CD2 3.97Å; V412-L430 HydrophobicContact CG1-CD1 4.37Å; V412-L430 HydrophobicContact CG2-CB 4.4Å; I422-L430 HydrophobicContact CD1-CD1 4.01Å; N426-L430 WeakPolarHBondContact O-CG 3.39Å; N426-L430 PolarHBondContact O-N 2.89Å; L427-L430 PolarHBondContact O-N 3.5Å; L430-H433 PolarHBondContact O-N 3.27Å; L430-A434 VanDerWaalsContact O-CB 3.3Å; L430-A434 WeakPolarHBondContact O-CB 3.48Å; L430-A434 PolarHBondContact O-N 3.17Å
431L95.1Very high93.1Very high8 Ų862.1 Ų62.14%0.04233%0.326CS..Hα-helixtrans-64.7-39.8177.3-66.6179.2000112.4L427 T428 K429 A434 S435 I436 K441 I444L427-L431 HydrophobicContact CD1-CD1 4.11Å; L427-L431 HydrophobicContact CD1-CG 4.08Å; L427-L431 HydrophobicContact CG-CD1 4.12Å; L427-L431 HydrophobicContact CG-CG 4.47Å; L427-L431 WeakPolarHBondContact O-CG 3.41Å; L427-L431 PolarHBondContact O-N 3.18Å; T428-L431 PolarHBondContact O-N 2.95Å; K429-L431 PolarHBondContact O-N 3.33Å; L431-A434 CarbonylContact O-C 3.59Å; L431-A434 PolarHBondContact O-N 3.08Å; L431-S435 PolarHBondContact O-N 2.9Å; L431-S435 VanDerWaalsContact O-N 3.12Å; L431-I436 HydrophobicContact CD2-CB 4.01Å; L431-I436 HydrophobicContact CD2-CD1 3.81Å; L431-I436 HydrophobicContact CD2-CG2 3.95Å; L431-I436 PolarHBondContact O-N 2.79Å; L431-K441 HydrophobicContact CD1-CB 3.7Å; L431-K441 HydrophobicContact CD1-CD 4.46Å; L431-K441 HydrophobicContact CD1-CG 3.9Å; L431-I444 HydrophobicContact CD2-CD1 3.75Å
432Q93.7Very high93Very high128 Ų12863.8 Ų63.860%0.59834%0.339SS*.Hα-helixtrans-61.7-47.2174.3-75.7172.8-7.100111.8T428 K429 A434 S435T428-Q432 WeakPolarHBondContact O-CB 3.47Å; T428-Q432 VanDerWaalsContact O-CG 3.28Å; T428-Q432 WeakPolarHBondContact O-CG 3.31Å; T428-Q432 PolarHBondContact O-N 3.38Å; K429-Q432 PolarHBondContact O-N 3.44Å; Q432-A434 VanDerWaalsContact C-N 3.26Å; Q432-A434 PolarHBondContact O-N 3.43Å; Q432-S435 PolarHBondContact O-N 3.23Å; Q432-S435 VanDerWaalsContact O-N 3.12Å
433H91.1Very high93.1Very high99 Ų9963.7 Ų63.746%0.45834%0.339SS..Hα-helixtrans-62.1-36.4175.7-67.8176.9000111.9I399 K429 L430 S435I399-H433 HydrophobicContact CG2-CB 4.35Å; K429-H433 PolarHBondContact O-N 2.87Å; L430-H433 PolarHBondContact O-N 3.27Å; H433-S435 PolarHBondContact O-N 2.84Å
434A94.3Very high93.2Very high2 Ų261.9 Ų61.92%0.01733%0.326CS..THydrogen-bonded Turntrans-73.9-7.817800000114.1L398 K408 L430 L431 Q432 I436L398-A434 HydrophobicContact CB-CB 4.09Å; L398-A434 HydrophobicContact CD2-CB 4.14Å; L398-A434 WeakPolarHBondContact O-CA 3.43Å; K408-A434 HydrophobicContact CB-CB 4.35Å; K408-A434 HydrophobicContact CD-CB 4.13Å; K408-A434 WeakPolarHBondContact CD-O 3.34Å; K408-A434 PolarHBondContact NZ-O 3.42Å; L430-A434 VanDerWaalsContact O-CB 3.3Å; L430-A434 WeakPolarHBondContact O-CB 3.48Å; L430-A434 PolarHBondContact O-N 3.17Å; L431-A434 CarbonylContact O-C 3.59Å; L431-A434 PolarHBondContact O-N 3.08Å; Q432-A434 VanDerWaalsContact C-N 3.26Å; Q432-A434 PolarHBondContact O-N 3.43Å; A434-I436 HydrophobicContact CB-CB 4.42Å; A434-I436 HydrophobicContact CB-CD1 3.54Å; A434-I436 HydrophobicContact CB-CG1 3.72Å; A434-I436 PolarHBondContact O-N 3.39Å
435S94.4Very high93.3Very high105 Ų10558.6 Ų58.673%0.73431%0.314SS*.THydrogen-bonded Turntrans53.531.8-169.9-56.60000113.1L431 Q432 H433L431-S435 PolarHBondContact O-N 2.9Å; L431-S435 VanDerWaalsContact O-N 3.12Å; Q432-S435 PolarHBondContact O-N 3.23Å; Q432-S435 VanDerWaalsContact O-N 3.12Å; H433-S435 PolarHBondContact O-N 2.84Å
436I92.9Very high93.4Very high11 Ų1153.1 Ų53.16%0.05629%0.289CS..  trans-83.8131.3177.2-69.1166.7000108.8K408 I409 L431 A434 E440K408-I436 HydrophobicContact CB-CD1 3.81Å; K408-I436 HydrophobicContact CB-CG1 4.44Å; I409-I436 HydrophobicContact CG1-CD1 3.68Å; I409-I436 HydrophobicContact CG1-CG1 4.48Å; I409-I436 HydrophobicContact CG1-CG2 4.44Å; L431-I436 HydrophobicContact CD2-CB 4.01Å; L431-I436 HydrophobicContact CD2-CD1 3.81Å; L431-I436 HydrophobicContact CD2-CG2 3.95Å; L431-I436 PolarHBondContact O-N 2.79Å; A434-I436 HydrophobicContact CB-CB 4.42Å; A434-I436 HydrophobicContact CB-CD1 3.54Å; A434-I436 HydrophobicContact CB-CG1 3.72Å; A434-I436 PolarHBondContact O-N 3.39Å; I436-E440 HydrophobicContact CG2-CB 3.45Å; I436-E440 VanDerWaalsContact CG2-CB 3.45Å; I436-E440 HydrophobicContact CG2-CG 3.93Å
437P90.8Very high93.5Very high62 Ų6249.4 Ų49.440%0.40327%0.269SS..  trans-56.8142.6178.1-25.734.5000112.7Q439 E440P437-Q439 PolarHBondContact O-N 3.32Å; P437-E440 WeakPolarHBondContact O-CB 3.28Å; P437-E440 PolarHBondContact O-N 2.91Å
438P85.4Confident93.5Very high110 Ų11051.2 Ų51.271%0.71428%0.281SS*.G310 helixtrans-57.3-25.1179.6-27.135.1000114.7E440 K441P438-E440 VanDerWaalsContact C-N 3.27Å; P438-E440 PolarHBondContact O-N 2.9Å; P438-K441 WeakPolarHBondContact O-CB 3.32Å; P438-K441 PolarHBondContact O-N 3.05Å
439Q87Confident93.5Very high152 Ų15252.9 Ų52.971%0.7128%0.283SS*.G310 helixtrans-63.6-33176.7-61.3101.5-8.600112.4P437 K441 A442P437-Q439 PolarHBondContact O-N 3.32Å; Q439-K441 PolarHBondContact O-N 3.21Å; Q439-A442 WeakPolarHBondContact O-CB 3.46Å; Q439-A442 PolarHBondContact O-N 3.24Å
440E91Very high93.6Very high76 Ų7648.8 Ų48.836%0.35527%0.265SS..G310 helixtrans-70.5-12.9178.9-65.2-60.5154.700113I409 I436 P437 P438 A442 T443I409-E440 HydrophobicContact CD1-CB 4.19Å; I409-E440 HydrophobicContact CD1-CG 4.36Å; I436-E440 HydrophobicContact CG2-CB 3.45Å; I436-E440 VanDerWaalsContact CG2-CB 3.45Å; I436-E440 HydrophobicContact CG2-CG 3.93Å; P437-E440 WeakPolarHBondContact O-CB 3.28Å; P437-E440 PolarHBondContact O-N 2.91Å; P438-E440 VanDerWaalsContact C-N 3.27Å; P438-E440 PolarHBondContact O-N 2.9Å; E440-A442 PolarHBondContact O-N 2.97Å; E440-T443 VanDerWaalsContact O-CB 3.28Å; E440-T443 WeakPolarHBondContact O-CB 3.13Å; E440-T443 PolarHBondContact O-N 2.89Å; E440-T443 VanDerWaalsContact O-N 3.08Å; E440-T443 PolarHBondContact O-OG1 3.32Å; E440-T443 PolarHBondContact OE2-OG1 3.35Å; E440-T443 VanDerWaalsContact OE2-OG1 3.12Å
441K94.1Very high93.6Very high47 Ų4750.2 Ų50.220%0.20428%0.283CS..Hα-helixtrans-55.4-34.5171.6-175.8178.3170.8-177.30111E424 L427 L431 P438 Q439 T443 I444 V445E424-K441 IonicContact OE1-NZ 2.69Å; E424-K441 PolarHBondContact OE1-NZ 3.44Å; L427-K441 HydrophobicContact CD2-CG 4.05Å; L431-K441 HydrophobicContact CD1-CB 3.7Å; L431-K441 HydrophobicContact CD1-CD 4.46Å; L431-K441 HydrophobicContact CD1-CG 3.9Å; P438-K441 WeakPolarHBondContact O-CB 3.32Å; P438-K441 PolarHBondContact O-N 3.05Å; Q439-K441 PolarHBondContact O-N 3.21Å; K441-T443 VanDerWaalsContact C-N 3.33Å; K441-T443 PolarHBondContact O-N 2.95Å; K441-I444 PolarHBondContact O-N 3Å; K441-V445 HydrophobicContact CG-CG2 4.09Å; K441-V445 WeakPolarHBondContact O-CG2 3.36Å; K441-V445 PolarHBondContact O-N 3.39Å
442A93.5Very high93.5Very high34 Ų3450.7 Ų50.728%0.28129%0.285SS..Hα-helixtrans-60.2-42177.900000111.7Q439 E440 I444 V445 N446Q439-A442 WeakPolarHBondContact O-CB 3.46Å; Q439-A442 PolarHBondContact O-N 3.24Å; E440-A442 PolarHBondContact O-N 2.97Å; A442-I444 VanDerWaalsContact C-N 3.27Å; A442-I444 PolarHBondContact O-N 3.16Å; A442-V445 PolarHBondContact O-N 2.82Å; A442-N446 WeakPolarHBondContact O-CB 3.35Å; A442-N446 PolarHBondContact O-N 3.16Å; A442-N446 PolarHBondContact O-ND2 3.34Å; A442-N446 PolarHBondContact O-OD1 3.46Å
443T95.2Very high93.5Very high5 Ų545.8 Ų45.83%0.03126%0.263CS..Hα-helixtrans-52.8-44.5176.9-52.10000111.9E440 K441 L602 L605 A606E440-T443 VanDerWaalsContact O-CB 3.28Å; E440-T443 WeakPolarHBondContact O-CB 3.13Å; E440-T443 PolarHBondContact O-N 2.89Å; E440-T443 VanDerWaalsContact O-N 3.08Å; E440-T443 PolarHBondContact O-OG1 3.32Å; E440-T443 PolarHBondContact OE2-OG1 3.35Å; E440-T443 VanDerWaalsContact OE2-OG1 3.12Å; K441-T443 VanDerWaalsContact C-N 3.33Å; K441-T443 PolarHBondContact O-N 2.95Å; T443-L602 HydrophobicContact CG2-CB 4.24Å; T443-L602 HydrophobicContact CG2-CD2 4.24Å; T443-L602 WeakPolarHBondContact CG2-O 3.11Å; T443-L605 HydrophobicContact CG2-CB 4.23Å; T443-A606 HydrophobicContact CG2-CB 4.15Å; T443-A606 WeakPolarHBondContact OG1-CB 3.3Å
444I96.9Very high93.7Very high0 Ų041.3 Ų41.30%024%0.242CC..Hα-helixtrans-73.7-47.3179.3-61.7172.8000111.4I409 V412 M413 I416 L427 L431 K441 A442 N446 A447 I454I409-I444 HydrophobicContact CG2-CD1 4.37Å; I409-I444 HydrophobicContact CG2-CG1 4.01Å; V412-I444 HydrophobicContact CB-CD1 4.44Å; V412-I444 HydrophobicContact CG1-CD1 3.88Å; M413-I444 HydrophobicContact CG-CB 4.46Å; M413-I444 HydrophobicContact CG-CG1 3.92Å; M413-I444 HydrophobicContact CG-CG2 4.18Å; M413-I444 HydrophobicContact SD-CG1 4.34Å; I416-I444 HydrophobicContact CD1-CG2 3.57Å; L427-I444 HydrophobicContact CD1-CD1 4.07Å; L427-I444 HydrophobicContact CD1-CG2 4.17Å; L427-I444 HydrophobicContact CD2-CG2 4.35Å; L431-I444 HydrophobicContact CD2-CD1 3.75Å; K441-I444 PolarHBondContact O-N 3Å; A442-I444 VanDerWaalsContact C-N 3.27Å; A442-I444 PolarHBondContact O-N 3.16Å; I444-N446 VanDerWaalsContact C-N 3.3Å; I444-N446 PolarHBondContact O-N 3.46Å; I444-A447 WeakPolarHBondContact O-CB 3.3Å; I444-A447 PolarHBondContact O-N 3.17Å; I444-I454 HydrophobicContact CG2-CG2 3.93Å
445V96Very high93.7Very high45 Ų4542.8 Ų42.827%0.27325%0.25SC..Hα-helixtrans-65.8-34.6-176.7173.70000111.6L427 K441 A442 A447 S448 I455L427-V445 HydrophobicContact CD2-CG2 3.96Å; K441-V445 HydrophobicContact CG-CG2 4.09Å; K441-V445 WeakPolarHBondContact O-CG2 3.36Å; K441-V445 PolarHBondContact O-N 3.39Å; A442-V445 PolarHBondContact O-N 2.82Å; V445-A447 PolarHBondContact O-N 3.42Å; V445-A447 VanDerWaalsContact O-N 3.16Å; V445-S448 VanDerWaalsContact O-CB 3.28Å; V445-S448 WeakPolarHBondContact O-CB 3.49Å; V445-S448 PolarHBondContact O-N 2.82Å; V445-S448 PolarHBondContact O-OG 3.16Å; V445-I455 HydrophobicContact CG2-CG1 4.48Å
446N96.3Very high93.5Very high5 Ų543.5 Ų43.53%0.02724%0.24CC..G310 helixtrans-63.1-19.8178.6-74.3-8.4000113.4A442 I444 S448 Y449 L605 L608 S609A442-N446 WeakPolarHBondContact O-CB 3.35Å; A442-N446 PolarHBondContact O-N 3.16Å; A442-N446 PolarHBondContact O-ND2 3.34Å; A442-N446 PolarHBondContact O-OD1 3.46Å; I444-N446 VanDerWaalsContact C-N 3.3Å; I444-N446 PolarHBondContact O-N 3.46Å; N446-S448 PolarHBondContact O-N 2.87Å; N446-S448 VanDerWaalsContact O-N 3.11Å; N446-Y449 HydrophobicContact CB-CD2 4.06Å; N446-Y449 HydrophobicContact CB-CE2 4.29Å; N446-Y449 WeakPolarHBondContact O-CB 3.45Å; N446-Y449 VanDerWaalsContact O-CD2 3.28Å; N446-Y449 WeakPolarHBondContact O-CD2 3.5Å; N446-Y449 PolarHBondContact O-N 3.37Å; N446-Y449 WeakPolarHBondContact OD1-CE2 3.35Å; N446-L605 WeakPolarHBondContact CB-O 3.34Å; N446-L605 PolarHBondContact ND2-O 2.78Å; N446-L608 HydrophobicContact CB-CB 4.04Å; N446-L608 HydrophobicContact CB-CD1 4.27Å; N446-S609 WeakPolarHBondContact ND2-CB 3.37Å; N446-S609 PolarHBondContact ND2-N 3.36Å; N446-S609 PolarHBondContact ND2-OG 2.56Å; N446-S609 WeakPolarHBondContact OD1-CB 3.47Å; N446-S609 PolarHBondContact OD1-OG 3.2Å
447A96.4Very high93Very high0 Ų048 Ų480%026%0.26CS..G310 helixtrans-60.7-18.8171.200000112.6M413 I444 V445 Y449 L450 L452 I454 L605M413-A447 HydrophobicContact CE-CB 3.9Å; I444-A447 WeakPolarHBondContact O-CB 3.3Å; I444-A447 PolarHBondContact O-N 3.17Å; V445-A447 PolarHBondContact O-N 3.42Å; V445-A447 VanDerWaalsContact O-N 3.16Å; A447-Y449 PolarHBondContact O-N 3.18Å; A447-L450 WeakPolarHBondContact O-CB 3.28Å; A447-L450 PolarHBondContact O-N 3.36Å; A447-L450 VanDerWaalsContact O-N 3.14Å; A447-L452 HydrophobicContact CB-CD1 4.25Å; A447-I454 HydrophobicContact CB-CD1 3.82Å; A447-I454 HydrophobicContact CB-CG1 4.01Å; A447-L605 HydrophobicContact CB-CD1 4.2Å; A447-L605 HydrophobicContact CB-CD2 4.19Å
448S95.3Very high92.3Very high37 Ų3750.4 Ų50.426%0.25929%0.286SS..G310 helixtrans-62.7-25.7171.1640000113.8V445 N446 L450 G451 L452V445-S448 VanDerWaalsContact O-CB 3.28Å; V445-S448 WeakPolarHBondContact O-CB 3.49Å; V445-S448 PolarHBondContact O-N 2.82Å; V445-S448 PolarHBondContact O-OG 3.16Å; N446-S448 PolarHBondContact O-N 2.87Å; N446-S448 VanDerWaalsContact O-N 3.11Å; S448-L450 PolarHBondContact O-N 2.63Å; S448-G451 PolarHBondContact O-N 2.89Å; S448-L452 WeakPolarHBondContact CA-O 3.31Å
449Y95.4Very high91.8Very high84 Ų8449.1 Ų49.133%0.32929%0.292SS..G310 helixtrans-69-16.2174.8-63.4-53.2000113.5Y161 P163 N446 A447 G451 L608Y161-Y449 WeakPolarHBondContact O-CB 3.41Å; P163-Y449 HydrophobicContact CG-CD1 3.95Å; P163-Y449 HydrophobicContact CG-CE1 3.49Å; P163-Y449 VanDerWaalsContact CG-CE1 3.49Å; N446-Y449 HydrophobicContact CB-CD2 4.06Å; N446-Y449 HydrophobicContact CB-CE2 4.29Å; N446-Y449 WeakPolarHBondContact O-CB 3.45Å; N446-Y449 VanDerWaalsContact O-CD2 3.28Å; N446-Y449 WeakPolarHBondContact O-CD2 3.5Å; N446-Y449 PolarHBondContact O-N 3.37Å; N446-Y449 WeakPolarHBondContact OD1-CE2 3.35Å; A447-Y449 PolarHBondContact O-N 3.18Å; Y449-G451 PolarHBondContact O-N 2.94Å; Y449-L608 HydrophobicContact CD2-CB 3.93Å; Y449-L608 HydrophobicContact CD2-CD1 4.14Å; Y449-L608 HydrophobicContact CE2-CB 4.37Å
450L96.3Very high91.5Very high2 Ų246.9 Ų46.91%0.0128%0.28CS..G310 helixtrans-8511.8170.9-76.663.3000111.7F157 Y161 R239 G240 V243 A447 S448 L452 F601 L605 L608F157-L450 HydrophobicContact CZ-CD1 4.12Å; F157-L450 HydrophobicContact CZ-CD2 4.46Å; Y161-L450 HydrophobicContact CD1-CD1 4.03Å; Y161-L450 HydrophobicContact CD1-CG 3.95Å; Y161-L450 HydrophobicContact CD2-CD1 4.39Å; Y161-L450 HydrophobicContact CE1-CG 4.02Å; Y161-L450 HydrophobicContact CG-CD1 3.94Å; Y161-L450 HydrophobicContact CG-CG 4.24Å; R239-L450 HydrophobicContact CB-CD2 4.13Å; R239-L450 HydrophobicContact CG-CD2 4.03Å; G240-L450 WeakPolarHBondContact CA-O 3.48Å; V243-L450 HydrophobicContact CG2-CD2 4.03Å; A447-L450 WeakPolarHBondContact O-CB 3.28Å; A447-L450 PolarHBondContact O-N 3.36Å; A447-L450 VanDerWaalsContact O-N 3.14Å; S448-L450 PolarHBondContact O-N 2.63Å; L450-L452 HydrophobicContact CB-CD1 4.4Å; L450-L452 HydrophobicContact CB-CG 4.4Å; L450-F601 HydrophobicContact CD2-CE2 4.07Å; L450-F601 HydrophobicContact CD2-CZ 4.07Å; L450-L605 HydrophobicContact CD1-CD2 3.76Å; L450-L605 HydrophobicContact CD2-CD2 4.25Å; L450-L608 HydrophobicContact CD1-CD1 3.81Å
451G93.7Very high91Very high42 Ų4252.2 Ų52.243%0.43330%0.302SS..THydrogen-bonded Turntrans82.418.6-179.600000114.5S448 Y449 V463S448-G451 PolarHBondContact O-N 2.89Å; Y449-G451 PolarHBondContact O-N 2.94Å; G451-V463 WeakPolarHBondContact O-CG2 3.44Å
452L94Very high90.5Very high18 Ų1858.9 Ų58.99%0.09433%0.326CS..  trans-96.5147.9-176.7-57.3172.4000112.8V243 L417 A447 S448 L450 I454V243-L452 HydrophobicContact CB-CD1 3.78Å; V243-L452 HydrophobicContact CG1-CD1 4.01Å; V243-L452 HydrophobicContact CG2-CD1 3.6Å; L417-L452 HydrophobicContact CD2-CD1 3.96Å; A447-L452 HydrophobicContact CB-CD1 4.25Å; S448-L452 WeakPolarHBondContact CA-O 3.31Å; L450-L452 HydrophobicContact CB-CD1 4.4Å; L450-L452 HydrophobicContact CB-CG 4.4Å; L452-I454 HydrophobicContact CB-CD1 4.08Å; L452-I454 HydrophobicContact CB-CG1 4.4Å; L452-I454 PolarHBondContact O-N 2.94Å
453N94.1Very high90Very high26 Ų2658.6 Ų58.614%0.13932%0.321CS..  trans-84.2102.1168.9-70.2-5.5000109.6N420 G421 K461 V463N420-N453 CarbonylContact C-O 3.53Å; N420-N453 PolarHBondContact ND2-ND2 3.04Å; N420-N453 WeakPolarHBondContact O-CB 3.42Å; G421-N453 VanDerWaalsContact CA-O 3.23Å; G421-N453 WeakPolarHBondContact CA-O 3.47Å; G421-N453 PolarHBondContact N-O 3.39Å; G421-N453 VanDerWaalsContact N-O 3.14Å; N453-K461 PolarHBondContact ND2-O 3.07Å; N453-V463 HydrophobicContact CB-CG2 4.26Å
454I95.4Very high89.6Confident4 Ų462 Ų622%0.02133%0.333CS..  trans-98.9-55.4176.8-56.7-57000111.1I416 L417 G421 I422 I444 A447 L452I416-I454 HydrophobicContact CD1-CG2 4.47Å; I416-I454 HydrophobicContact CG2-CB 4.47Å; I416-I454 HydrophobicContact CG2-CD1 4.14Å; I416-I454 HydrophobicContact CG2-CG2 4.17Å; I416-I454 WeakPolarHBondContact CG2-O 3.31Å; L417-I454 HydrophobicContact CD2-CD1 4.4Å; G421-I454 CarbonylContact C-O 3.6Å; G421-I454 VanDerWaalsContact CA-O 3.26Å; G421-I454 WeakPolarHBondContact CA-O 3.44Å; I422-I454 PolarHBondContact N-O 3.41Å; I444-I454 HydrophobicContact CG2-CG2 3.93Å; A447-I454 HydrophobicContact CB-CD1 3.82Å; A447-I454 HydrophobicContact CB-CG1 4.01Å; L452-I454 HydrophobicContact CB-CD1 4.08Å; L452-I454 HydrophobicContact CB-CG1 4.4Å; L452-I454 PolarHBondContact O-N 2.94Å
455I94.5Very high88.9Confident34 Ų3467.1 Ų67.117%0.17436%0.357CS..BIsolated β-bridgetrans-102.9136.5173-58.2-57.3000108.8I422 E424 L427 V445 E457I422-I455 CarbonylContact O-C 3.54Å; I422-I455 VanDerWaalsContact O-CA 3.3Å; I422-I455 WeakPolarHBondContact O-CA 3.29Å; E424-I455 HydrophobicContact CB-CD1 4.49Å; E424-I455 HydrophobicContact CB-CG2 4.23Å; L427-I455 HydrophobicContact CB-CD1 4.18Å; L427-I455 HydrophobicContact CD2-CD1 3.72Å; V445-I455 HydrophobicContact CG2-CG1 4.48Å; I455-E457 PolarHBondContact O-N 3.42Å
456F89.4Confident88.2Confident120 Ų12065.9 Ų65.953%0.52635%0.35SS..  trans-64.6121.8174-68.4-44.4000110.8N420 G421 I422N420-F456 WeakPolarHBondContact O-CE1 3.13Å; G421-F456 VanDerWaalsContact O-CE1 3.24Å; G421-F456 WeakPolarHBondContact O-CE1 3.02Å; G421-F456 WeakPolarHBondContact O-CZ 3.31Å; I422-F456 VanDerWaalsContact CA-CE2 3.49Å; I422-F456 PolarHBondContact O-N 2.83Å
457E82.1Confident87.8Confident104 Ų10472.9 Ų72.949%0.48639%0.388SS..  trans-121.7135.3170.9-69170.9-140.200109.3I455 G459 K460I455-E457 PolarHBondContact O-N 3.42Å; E457-G459 PolarHBondContact O-N 3.48Å; E457-K460 HydrophobicContact CB-CD 4.03Å; E457-K460 HydrophobicContact CB-CG 4.21Å; E457-K460 PolarHBondContact O-N 3.29Å; E457-K460 IonicContact OE1-NZ 3.59Å; E457-K460 PolarHBondContact OE1-NZ 3.35Å; E457-K460 WeakPolarHBondContact OE2-CE 3.35Å; E457-K460 IonicContact OE2-NZ 3.32Å; E457-K460 PolarHBondContact OE2-NZ 3.1Å
458A76.8Confident87.6Confident114 Ų11477.5 Ų77.594%0.94241%0.405SS*.THydrogen-bonded Turntrans-61.4127.3179.500000110.5
459G75.6Confident87.5Confident82 Ų8278.3 Ų78.385%0.84540%0.404SS*.THydrogen-bonded Turntrans93.4-13.1177.400000115.7E457 K461E457-G459 PolarHBondContact O-N 3.48Å; G459-K461 PolarHBondContact O-N 2.9Å
460K79.4Confident87.1Confident105 Ų10582.3 Ų82.346%0.45743%0.426SS..PPolyproline II helixtrans-68.6127.4172.2-79.8-170.7174.9164.40110.3E457E457-K460 HydrophobicContact CB-CD 4.03Å; E457-K460 HydrophobicContact CB-CG 4.21Å; E457-K460 PolarHBondContact O-N 3.29Å; E457-K460 IonicContact OE1-NZ 3.59Å; E457-K460 PolarHBondContact OE1-NZ 3.35Å; E457-K460 WeakPolarHBondContact OE2-CE 3.35Å; E457-K460 IonicContact OE2-NZ 3.32Å; E457-K460 PolarHBondContact OE2-NZ 3.1Å
461K81.4Confident86.7Confident188 Ų18883.4 Ų83.482%0.81743%0.43SS*.PPolyproline II helixtrans-66.9153.9174.4-69.7-179.6-179.4174.70109.8N453 G459 V463N453-K461 PolarHBondContact ND2-O 3.07Å; G459-K461 PolarHBondContact O-N 2.9Å; K461-V463 PolarHBondContact O-N 2.77Å
462R82.5Confident85.8Confident187 Ų18788.2 Ų88.271%0.70644%0.444SS*.PPolyproline II helixtrans-61.7129.7168.7179.8166.9-173.8-169.50.3108.5W464R462-W464 PolarHBondContact O-N 2.85Å
463V83.3Confident84.8Confident29 Ų2990.8 Ų90.818%0.17648%0.475CS..PPolyproline II helixtrans-61.5130174.6-178.20000107.9G451 N453 K461G451-V463 WeakPolarHBondContact O-CG2 3.44Å; N453-V463 HydrophobicContact CB-CG2 4.26Å; K461-V463 PolarHBondContact O-N 2.77Å
464W86.5Confident84.1Confident76 Ų7693.9 Ų93.929%0.28849%0.489SS..PPolyproline II helixtrans-66.5135.7177.1177.586.8000109.8R462 P466 H502 F503R462-W464 PolarHBondContact O-N 2.85Å; W464-P466 HydrophobicContact CH2-CB 3.65Å; W464-P466 HydrophobicContact CH2-CG 4.38Å; W464-P466 HydrophobicContact CZ2-CB 4.17Å; W464-P466 HydrophobicContact CZ3-CB 4.16Å; W464-P466 HydrophobicContact CZ3-CG 4.42Å; W464-H502 AromaticContact CD1-CE1 3.58Å; W464-H502 AromaticContact CD1-NE2 3.49Å; W464-H502 AromaticContact CD2-CD2 3.89Å; W464-H502 AromaticContact CD2-CE1 3.38Å; W464-H502 AromaticContact CD2-CG 3.83Å; W464-H502 AromaticContact CD2-ND1 3.51Å; W464-H502 AromaticContact CD2-NE2 3.64Å; W464-H502 AromaticContact CE2-CD2 3.46Å; W464-H502 VanDerWaalsContact CE2-CD2 3.46Å; W464-H502 AromaticContact CE2-CE1 3.68Å; W464-H502 AromaticContact CE2-CG 3.8Å; W464-H502 AromaticContact CE2-ND1 3.92Å; W464-H502 AromaticContact CE2-NE2 3.4Å; W464-H502 HydrophobicContact CE3-CB 4.39Å; W464-H502 AromaticContact CE3-CE1 3.93Å; W464-H502 AromaticContact CE3-CG 3.84Å; W464-H502 AromaticContact CE3-ND1 3.56Å; W464-H502 AromaticContact CG-CE1 3.33Å; W464-H502 AromaticContact CG-ND1 3.91Å; W464-H502 AromaticContact CG-NE2 3.7Å; W464-H502 HydrophobicContact CH2-CB 3.92Å; W464-H502 AromaticContact CH2-CG 3.82Å; W464-H502 HydrophobicContact CZ2-CB 4.33Å; W464-H502 AromaticContact CZ2-CD2 3.54Å; W464-H502 AromaticContact CZ2-CG 3.8Å; W464-H502 HydrophobicContact CZ3-CB 3.95Å; W464-H502 AromaticContact CZ3-CG 3.84Å; W464-H502 AromaticContact NE1-CD2 3.78Å; W464-H502 AromaticContact NE1-CE1 3.77Å; W464-H502 AromaticContact NE1-NE2 3.3Å; W464-H502 PolarHBondContact NE1-NE2 3.18Å; W464-F503 AromaticContact CH2-CE2 3.87Å; W464-F503 HydrophobicContact CH2-CE2 3.87Å; W464-F503 HydrophobicContact CH2-CZ 4.47Å; W464-F503 HydrophobicContact CZ3-CE2 4.08Å; W464-F503 HydrophobicContact CZ3-CZ 4.27Å
465Q82.3Confident83.1Confident107 Ų10797 Ų9750%0.550%0.503SS..  trans-123136.4173.6-70.1-179.9-17.600108
466P82.6Confident82.6Confident20 Ų20101 Ų10113%0.1353%0.529CS..PPolyproline II helixtrans-62.2145.6175.524.3-31.4000110.7W464 R468 V485W464-P466 HydrophobicContact CH2-CB 3.65Å; W464-P466 HydrophobicContact CH2-CG 4.38Å; W464-P466 HydrophobicContact CZ2-CB 4.17Å; W464-P466 HydrophobicContact CZ3-CB 4.16Å; W464-P466 HydrophobicContact CZ3-CG 4.42Å; P466-R468 PolarHBondContact O-N 3.25Å; P466-V485 HydrophobicContact CG-CG1 3.29Å
467N86.1Confident82.7Confident151 Ų15198.8 Ų98.881%0.80752%0.517SS*.PPolyproline II helixtrans-63.5122.4171.8-69.9-32.7000108.9
468R93.4Very high83.2Confident97 Ų97100.2 Ų100.237%0.36652%0.524SS..PPolyproline II helixtrans-72.4137.2179.2-56.9-52.4-50.1-78.6-5.7110.2P466 T483 D488P466-R468 PolarHBondContact O-N 3.25Å; R468-T483 PolarHBondContact NH1-O 3.37Å; R468-T483 PolarHBondContact NH2-O 2.84Å; R468-D488 IonicContact CZ-OD2 2.8Å; R468-D488 IonicContact NE-OD2 3.64Å; R468-D488 PolarHBondContact NE-OD2 2.88Å; R468-D488 IonicContact NH2-OD2 3.65Å; R468-D488 PolarHBondContact NH2-OD2 3.11Å
469K92.6Very high84Confident54 Ų5495.7 Ų95.724%0.23549%0.485CS..PPolyproline II helixtrans-73.7143.6176.2-68.4-176.2178.7-173.30111.1R471 D488 E491 D492K469-R471 PolarHBondContact O-N 3.38Å; K469-D488 HydrophobicContact CD-CB 4.38Å; K469-D488 HydrophobicContact CG-CB 4.31Å; K469-D488 PolarHBondContact N-OD2 3.11Å; K469-E491 VanDerWaalsContact CD-OE2 3.28Å; K469-E491 WeakPolarHBondContact CD-OE2 3.47Å; K469-E491 IonicContact NZ-OE2 2.63Å; K469-E491 PolarHBondContact NZ-OE2 3.02Å; K469-E491 VanDerWaalsContact NZ-OE2 3.16Å; K469-D492 WeakPolarHBondContact CE-OD1 3.35Å; K469-D492 IonicContact NZ-OD1 2.77Å; K469-D492 PolarHBondContact NZ-OD1 3.27Å
470E86.6Confident84.9Confident168 Ų16892.9 Ų92.979%0.78545%0.453SS*.PPolyproline II helixtrans-75.7119.2171.1-166.7-178.5-178.700109.7I472E470-I472 HydrophobicContact CG-CD1 4.4Å; E470-I472 HydrophobicContact CG-CG1 3.88Å; E470-I472 WeakPolarHBondContact OE1-CD1 3.43Å
471R88Confident85.7Confident25 Ų2589.4 Ų89.49%0.09444%0.437CS..  trans-115.665.6-174.2-66.1-175.6177.8-80.3-2.2111.6K469 G473 E474 T483 D488 E491K469-R471 PolarHBondContact O-N 3.38Å; R471-G473 PolarHBondContact O-N 3.22Å; R471-E474 HydrophobicContact CB-CB 4.21Å; R471-E474 HydrophobicContact CB-CG 4.16Å; R471-E474 IonicContact CZ-OE1 2.89Å; R471-E474 IonicContact NH1-OE1 3.62Å; R471-E474 PolarHBondContact NH1-OE1 2.85Å; R471-E474 IonicContact NH1-OE2 2.77Å; R471-E474 PolarHBondContact NH1-OE2 3.29Å; R471-E474 PolarHBondContact O-N 2.87Å; R471-T483 WeakPolarHBondContact CD-OG1 3.24Å; R471-D488 IonicContact CZ-OD1 3.46Å; R471-D488 IonicContact NE-OD1 2.89Å; R471-D488 PolarHBondContact NE-OD1 2.91Å; R471-D488 IonicContact NH2-OD1 3.44Å; R471-D488 PolarHBondContact NH2-OD1 3.38Å; R471-E491 IonicContact CZ-OE1 3.73Å; R471-E491 IonicContact CZ-OE2 2.75Å; R471-E491 IonicContact NH1-OE1 3.99Å; R471-E491 PolarHBondContact NH1-OE1 3.32Å; R471-E491 IonicContact NH1-OE2 3.59Å; R471-E491 IonicContact NH2-OE1 3.18Å; R471-E491 PolarHBondContact NH2-OE1 2.67Å; R471-E491 VanDerWaalsContact NH2-OE1 3.14Å; R471-E491 IonicContact NH2-OE2 3.94Å; R471-E491 PolarHBondContact NH2-OE2 3.45Å
472I74.8Confident86.3Confident143 Ų14381.8 Ų81.873%0.73340%0.403SS*.THydrogen-bonded Turntrans-64122.6-178.7-51.4178.6000109.9E470 E474E470-I472 HydrophobicContact CG-CD1 4.4Å; E470-I472 HydrophobicContact CG-CG1 3.88Å; E470-I472 WeakPolarHBondContact OE1-CD1 3.43Å; I472-E474 VanDerWaalsContact C-N 3.33Å; I472-E474 PolarHBondContact O-N 3.25Å
473G74.1Confident87Confident72 Ų7273.3 Ų73.374%0.74237%0.372SS*.THydrogen-bonded Turntrans82.5-3.2173.600000116R471 H475R471-G473 PolarHBondContact O-N 3.22Å; G473-H475 VanDerWaalsContact C-N 3.33Å
474E78.1Confident87.7Confident92 Ų9272 Ų7243%0.4336%0.363SS..THydrogen-bonded Turntrans-71.5-30.1174.1-71.6-170.6-143.100112R471 I472 T476 K487R471-E474 HydrophobicContact CB-CB 4.21Å; R471-E474 HydrophobicContact CB-CG 4.16Å; R471-E474 IonicContact CZ-OE1 2.89Å; R471-E474 IonicContact NH1-OE1 3.62Å; R471-E474 PolarHBondContact NH1-OE1 2.85Å; R471-E474 IonicContact NH1-OE2 2.77Å; R471-E474 PolarHBondContact NH1-OE2 3.29Å; R471-E474 PolarHBondContact O-N 2.87Å; I472-E474 VanDerWaalsContact C-N 3.33Å; I472-E474 PolarHBondContact O-N 3.25Å; E474-T476 PolarHBondContact O-N 3.18Å; E474-K487 IonicContact OE2-NZ 3.51Å; E474-K487 PolarHBondContact OE2-NZ 3.25Å
475H75.9Confident88.2Confident69 Ų6968.8 Ų68.832%0.31935%0.352SS..  trans-96.299.4-173.4-57.1-69.9000111.8G473 S480 R481 T483G473-H475 VanDerWaalsContact C-N 3.33Å; H475-S480 PolarHBondContact ND1-O 2.76Å; H475-R481 PolarHBondContact CE1-O 2.73Å; H475-R481 WeakPolarHBondContact ND1-CA 3.36Å; H475-R481 PolarHBondContact ND1-O 2.75Å; H475-R481 PolarHBondContact NE2-O 2.78Å; H475-T483 PolarHBondContact CE1-OG1 3.11Å; H475-T483 VanDerWaalsContact CE1-OG1 3.29Å
476T83.1Confident88.9Confident117 Ų11763.7 Ų63.772%0.71833%0.329SS*.  trans-79.7-25.3175.4-50.40000112.7E474E474-T476 PolarHBondContact O-N 3.18Å
477Y92.7Very high89.7Confident74 Ų7463.1 Ų63.129%0.2932%0.324SS..SBendtrans-116.2130.6-172.5-55.6-79000111.6H299 A301 V302 T479 S480H299-Y477 HydrophobicContact CB-CD2 4.13Å; H299-Y477 HydrophobicContact CB-CE2 3.6Å; H299-Y477 AromaticContact CD2-CD2 3.47Å; H299-Y477 VanDerWaalsContact CD2-CD2 3.47Å; H299-Y477 WeakPolarHBondContact CD2-CD2 3.43Å; H299-Y477 AromaticContact CD2-CE2 3.87Å; H299-Y477 AromaticContact CE1-CD1 3.82Å; H299-Y477 AromaticContact CE1-CD2 3.63Å; H299-Y477 AromaticContact CE1-CE2 3.98Å; H299-Y477 AromaticContact CE1-CG 3.54Å; H299-Y477 AromaticContact CG-CD2 3.47Å; H299-Y477 VanDerWaalsContact CG-CD2 3.47Å; H299-Y477 AromaticContact CG-CE2 3.36Å; H299-Y477 AromaticContact ND1-CD2 3.57Å; H299-Y477 AromaticContact ND1-CE1 3.93Å; H299-Y477 AromaticContact ND1-CE2 3.45Å; H299-Y477 WeakPolarHBondContact ND1-CE2 3.29Å; H299-Y477 AromaticContact ND1-CG 3.87Å; H299-Y477 AromaticContact ND1-CZ 3.64Å; H299-Y477 AromaticContact NE2-CD2 3.56Å; H299-Y477 AromaticContact NE2-CG 3.65Å; A301-Y477 HydrophobicContact CB-CD1 4.36Å; A301-Y477 HydrophobicContact CB-CE1 3.6Å; V302-Y477 WeakPolarHBondContact CG1-OH 3.28Å; Y477-T479 PolarHBondContact O-N 3.42Å; Y477-S480 CarbonylContact O-C 3.54Å; Y477-S480 PolarHBondContact O-N 2.82Å
478Q91.6Very high90.2Very high134 Ų13456 Ų5663%0.62629%0.286SS*.THydrogen-bonded Turntrans-61.8-26.5-178.2-66.2-178.8-24.300113.6A382 R481A382-Q478 HydrophobicContact CB-CB 4.11Å; A382-Q478 HydrophobicContact CB-CG 3.93Å; Q478-R481 WeakPolarHBondContact O-CD 3.39Å; Q478-R481 WeakPolarHBondContact O-CG 3.49Å; Q478-R481 PolarHBondContact O-NE 2.97Å; Q478-R481 VanDerWaalsContact O-NE 3.08Å
479T93.2Very high90.4Very high19 Ų1951.6 Ų51.612%0.11727%0.27CS..THydrogen-bonded Turntrans-92.28.1178.1510000113.6L251 C370 K371 Q374 Y477L251-T479 VanDerWaalsContact CD1-OG1 3.26Å; L251-T479 WeakPolarHBondContact CD1-OG1 3.26Å; C370-T479 HydrophobicContact CB-CG2 4.22Å; K371-T479 HydrophobicContact CG-CG2 3.87Å; Q374-T479 WeakPolarHBondContact CG-O 3.31Å; Y477-T479 PolarHBondContact O-N 3.42Å
480S95.2Very high90.6Very high24 Ų2449.1 Ų49.117%0.16826%0.259CS..  trans-140.355.4-176-50.30000110.8H299 H475 Y477H299-S480 PolarHBondContact CD2-OG 3.42Å; H299-S480 PolarHBondContact NE2-OG 3.27Å; H475-S480 PolarHBondContact ND1-O 2.76Å; Y477-S480 CarbonylContact O-C 3.54Å; Y477-S480 PolarHBondContact O-N 2.82Å
481R94.8Very high91.1Very high32 Ų3242.2 Ų42.212%0.12123%0.227CC..  trans-98.6-27.8-174.5-61.6-175.4-66.9134.1-0.4113.1Q374 D375 T378 C380 D381 H475 Q478 T483Q374-R481 PolarHBondContact O-NH2 2.82Å; D375-R481 IonicContact OD1-CZ 2.81Å; D375-R481 IonicContact OD1-NH2 2.79Å; D375-R481 PolarHBondContact OD1-NH2 2.98Å; T378-R481 HydrophobicContact CG2-CB 3.92Å; T378-R481 PolarHBondContact OG1-NH1 2.92Å; C380-R481 PolarHBondContact O-NH1 3.23Å; C380-R481 PolarHBondContact O-NH2 3.09Å; D381-R481 PolarHBondContact O-NH1 3.31Å; H475-R481 PolarHBondContact CE1-O 2.73Å; H475-R481 WeakPolarHBondContact ND1-CA 3.36Å; H475-R481 PolarHBondContact ND1-O 2.75Å; H475-R481 PolarHBondContact NE2-O 2.78Å; Q478-R481 WeakPolarHBondContact O-CD 3.39Å; Q478-R481 WeakPolarHBondContact O-CG 3.49Å; Q478-R481 PolarHBondContact O-NE 2.97Å; Q478-R481 VanDerWaalsContact O-NE 3.08Å; R481-T483 PolarHBondContact O-N 3.16Å
482W95.6Very high91.5Very high27 Ų2742.6 Ų42.610%0.10223%0.231CC..  trans-67132.8175.1177.8-100.8000110.6M244 S245 L248 A377 V485M244-W482 HydrophobicContact CB-CH2 3.8Å; M244-W482 HydrophobicContact CB-CZ2 3.53Å; M244-W482 HydrophobicContact CG-CD2 4.14Å; M244-W482 HydrophobicContact CG-CE3 4.26Å; M244-W482 HydrophobicContact CG-CH2 3.74Å; M244-W482 HydrophobicContact CG-CZ2 3.64Å; M244-W482 HydrophobicContact CG-CZ3 4.05Å; S245-W482 PolarHBondContact OG-NE1 3.39Å; L248-W482 HydrophobicContact CD1-CB 3.66Å; L248-W482 HydrophobicContact CD1-CD2 3.9Å; L248-W482 HydrophobicContact CD1-CG 3.34Å; A377-W482 HydrophobicContact CB-CD2 4.3Å; A377-W482 HydrophobicContact CB-CE3 3.8Å; A377-W482 HydrophobicContact CB-CZ3 4.34Å; A377-W482 VanDerWaalsContact O-CZ3 3.31Å; A377-W482 WeakPolarHBondContact O-CZ3 3.3Å; W482-V485 HydrophobicContact CH2-CG2 4.08Å; W482-V485 HydrophobicContact CZ2-CG2 3.92Å
483T96.6Very high92.5Very high10 Ų1035.9 Ų35.96%0.06120%0.197CC..  trans-107.9133.5163.9-59.20000108.1R468 R471 H475 R481 V485 K487R468-T483 PolarHBondContact NH1-O 3.37Å; R468-T483 PolarHBondContact NH2-O 2.84Å; R471-T483 WeakPolarHBondContact CD-OG1 3.24Å; H475-T483 PolarHBondContact CE1-OG1 3.11Å; H475-T483 VanDerWaalsContact CE1-OG1 3.29Å; R481-T483 PolarHBondContact O-N 3.16Å; T483-V485 PolarHBondContact O-N 2.75Å; T483-K487 HydrophobicContact CG2-CB 3.66Å; T483-K487 HydrophobicContact CG2-CD 3.54Å; T483-K487 HydrophobicContact CG2-CG 4.19Å
484P97.6Very high93.5Very high0 Ų033 Ų330%016%0.164CC..  trans-52.8137.7171.7-28.736.1000112.5S245 L486 K487 E572S245-P484 WeakPolarHBondContact OG-CA 3.17Å; S245-P484 WeakPolarHBondContact OG-CB 3.33Å; P484-L486 HydrophobicContact CB-CB 4.46Å; P484-L486 PolarHBondContact O-N 2.98Å; P484-L486 VanDerWaalsContact O-N 3.12Å; P484-K487 PolarHBondContact O-N 3.08Å; P484-E572 HydrophobicContact CB-CG 4.08Å
485V97.4Very high94.3Very high9 Ų931.7 Ų31.76%0.05516%0.158CC..Hα-helixtrans-58.2-30.3-179.6173.70000111.1D242 P466 W482 T483 K487 D488 I489D242-V485 HydrophobicContact CB-CB 4Å; D242-V485 HydrophobicContact CB-CG2 4.23Å; D242-V485 WeakPolarHBondContact OD2-CB 3.48Å; D242-V485 PolarHBondContact OD2-N 2.92Å; P466-V485 HydrophobicContact CG-CG1 3.29Å; W482-V485 HydrophobicContact CH2-CG2 4.08Å; W482-V485 HydrophobicContact CZ2-CG2 3.92Å; T483-V485 PolarHBondContact O-N 2.75Å; V485-K487 PolarHBondContact O-N 3.01Å; V485-D488 PolarHBondContact O-N 2.92Å; V485-D488 VanDerWaalsContact O-N 3.13Å; V485-I489 HydrophobicContact CG1-CD1 3.98Å; V485-I489 HydrophobicContact CG1-CG1 4.34Å; V485-I489 PolarHBondContact O-N 3.41Å
486L98Very high95.2Very high1 Ų133.3 Ų33.31%0.00517%0.169CC..Hα-helixtrans-49.6-41.5173.3179.770.8000113.1L237 F241 P484 D488 I489 V490 V562 E572 I590L237-L486 HydrophobicContact CD1-CD1 3.99Å; F241-L486 HydrophobicContact CE2-CB 4.03Å; F241-L486 HydrophobicContact CE2-CD1 4.43Å; F241-L486 HydrophobicContact CZ-CB 4.12Å; F241-L486 HydrophobicContact CZ-CD1 4.31Å; P484-L486 HydrophobicContact CB-CB 4.46Å; P484-L486 PolarHBondContact O-N 2.98Å; P484-L486 VanDerWaalsContact O-N 3.12Å; L486-D488 VanDerWaalsContact C-N 3.3Å; L486-D488 PolarHBondContact O-N 2.61Å; L486-I489 PolarHBondContact O-N 3.5Å; L486-V490 HydrophobicContact CD1-CG2 3.78Å; L486-V490 HydrophobicContact CG-CG2 3.97Å; L486-V490 WeakPolarHBondContact O-CB 3.38Å; L486-V490 VanDerWaalsContact O-CG2 3.24Å; L486-V490 WeakPolarHBondContact O-CG2 3.41Å; L486-V490 PolarHBondContact O-N 2.75Å; L486-V562 HydrophobicContact CD1-CG1 4.03Å; L486-E572 HydrophobicContact CB-CG 4.15Å; L486-E572 HydrophobicContact CD2-CB 3.5Å; L486-E572 VanDerWaalsContact CD2-CB 3.5Å; L486-E572 HydrophobicContact CD2-CG 3.73Å; L486-I590 HydrophobicContact CD1-CD1 4.29Å; L486-I590 HydrophobicContact CD2-CD1 3.24Å; L486-I590 HydrophobicContact CG-CD1 4.35Å
487K97.8Very high95.8Very high7 Ų734.4 Ų34.43%0.0316%0.164CC..Hα-helixtrans-61-42.3-177.9-163.6178.4176.4178.50111.1E474 T483 P484 V485 V490 E491 C575 E578 V579E474-K487 IonicContact OE2-NZ 3.51Å; E474-K487 PolarHBondContact OE2-NZ 3.25Å; T483-K487 HydrophobicContact CG2-CB 3.66Å; T483-K487 HydrophobicContact CG2-CD 3.54Å; T483-K487 HydrophobicContact CG2-CG 4.19Å; P484-K487 PolarHBondContact O-N 3.08Å; V485-K487 PolarHBondContact O-N 3.01Å; K487-V490 PolarHBondContact O-N 2.81Å; K487-E491 WeakPolarHBondContact CE-OE1 3.39Å; K487-E491 WeakPolarHBondContact O-CB 3.42Å; K487-E491 VanDerWaalsContact O-CG 3.27Å; K487-E491 WeakPolarHBondContact O-CG 3.47Å; K487-E491 PolarHBondContact O-N 3.13Å; K487-C575 HydrophobicContact CB-CB 4.09Å; K487-C575 HydrophobicContact CG-CB 4.3Å; K487-E578 VanDerWaalsContact CE-OE2 3.28Å; K487-E578 WeakPolarHBondContact CE-OE2 3.28Å; K487-E578 IonicContact NZ-OE2 2.86Å; K487-E578 PolarHBondContact NZ-OE2 2.99Å; K487-V579 HydrophobicContact CG-CG2 3.84Å
488D97.2Very high95.9Very high3 Ų331.3 Ų31.32%0.01615%0.152CC..Hα-helixtrans-63.5-46.6177.9-61.3-13.4000110.4R468 K469 R471 V485 L486 V490 E491 D492R468-D488 IonicContact CZ-OD2 2.8Å; R468-D488 IonicContact NE-OD2 3.64Å; R468-D488 PolarHBondContact NE-OD2 2.88Å; R468-D488 IonicContact NH2-OD2 3.65Å; R468-D488 PolarHBondContact NH2-OD2 3.11Å; K469-D488 HydrophobicContact CD-CB 4.38Å; K469-D488 HydrophobicContact CG-CB 4.31Å; K469-D488 PolarHBondContact N-OD2 3.11Å; R471-D488 IonicContact CZ-OD1 3.46Å; R471-D488 IonicContact NE-OD1 2.89Å; R471-D488 PolarHBondContact NE-OD1 2.91Å; R471-D488 IonicContact NH2-OD1 3.44Å; R471-D488 PolarHBondContact NH2-OD1 3.38Å; V485-D488 PolarHBondContact O-N 2.92Å; V485-D488 VanDerWaalsContact O-N 3.13Å; L486-D488 VanDerWaalsContact C-N 3.3Å; L486-D488 PolarHBondContact O-N 2.61Å; D488-V490 PolarHBondContact O-N 3.28Å; D488-E491 PolarHBondContact O-N 2.83Å; D488-D492 WeakPolarHBondContact O-CB 2.8Å; D488-D492 PolarHBondContact O-N 2.81Å
489I97.5Very high96Very high3 Ų327.3 Ų27.32%0.01514%0.135CC..Hα-helixtrans-59.4-48178.4-68.2173000111.5L235 F241 V485 L486 D492 A493 L498 F503L235-I489 HydrophobicContact CD2-CG2 3.46Å; L235-I489 VanDerWaalsContact CD2-CG2 3.46Å; F241-I489 HydrophobicContact CD2-CD1 3.78Å; F241-I489 HydrophobicContact CE2-CD1 4.1Å; V485-I489 HydrophobicContact CG1-CD1 3.98Å; V485-I489 HydrophobicContact CG1-CG1 4.34Å; V485-I489 PolarHBondContact O-N 3.41Å; L486-I489 PolarHBondContact O-N 3.5Å; I489-D492 PolarHBondContact O-N 2.59Å; I489-A493 WeakPolarHBondContact O-CB 3.26Å; I489-A493 PolarHBondContact O-N 2.9Å; I489-L498 HydrophobicContact CB-CD1 4.38Å; I489-L498 HydrophobicContact CG1-CD1 4.48Å; I489-L498 HydrophobicContact CG2-CD1 4Å; I489-L498 HydrophobicContact CG2-CD2 4.17Å; I489-F503 HydrophobicContact CD1-CE1 4.28Å; I489-F503 HydrophobicContact CD1-CZ 3.84Å; I489-F503 HydrophobicContact CG1-CZ 4.17Å
490V97.4Very high96Very high3 Ų331.4 Ų31.42%0.01815%0.153CC..Hα-helixtrans-66.5-44.6-177.2170.20000110.8L486 K487 D488 A493 I494 L560 V562 V579 V588L486-V490 HydrophobicContact CD1-CG2 3.78Å; L486-V490 HydrophobicContact CG-CG2 3.97Å; L486-V490 WeakPolarHBondContact O-CB 3.38Å; L486-V490 VanDerWaalsContact O-CG2 3.24Å; L486-V490 WeakPolarHBondContact O-CG2 3.41Å; L486-V490 PolarHBondContact O-N 2.75Å; K487-V490 PolarHBondContact O-N 2.81Å; D488-V490 PolarHBondContact O-N 3.28Å; V490-A493 PolarHBondContact O-N 3.4Å; V490-I494 HydrophobicContact CG1-CD1 4.21Å; V490-I494 WeakPolarHBondContact O-CG1 3.38Å; V490-I494 PolarHBondContact O-N 3.04Å; V490-I494 VanDerWaalsContact O-N 3.08Å; V490-L560 HydrophobicContact CB-CD2 4.1Å; V490-L560 HydrophobicContact CG1-CD2 3.64Å; V490-L560 HydrophobicContact CG2-CD2 4.25Å; V490-V562 HydrophobicContact CG2-CG2 4.12Å; V490-V579 HydrophobicContact CG1-CB 4.1Å; V490-V579 HydrophobicContact CG1-CG1 3.73Å; V490-V579 HydrophobicContact CG1-CG2 4.18Å; V490-V588 HydrophobicContact CG1-CB 4.35Å; V490-V588 HydrophobicContact CG1-CG1 3.84Å; V490-V588 HydrophobicContact CG1-CG2 3.54Å
491E96.8Very high96Very high22 Ų2239.2 Ų39.210%0.10318%0.179CC..Hα-helixtrans-62.6-43.1175.4-73.4170.1175.500111.9K469 R471 K487 D488 A493 I494 E495 V579K469-E491 VanDerWaalsContact CD-OE2 3.28Å; K469-E491 WeakPolarHBondContact CD-OE2 3.47Å; K469-E491 IonicContact NZ-OE2 2.63Å; K469-E491 PolarHBondContact NZ-OE2 3.02Å; K469-E491 VanDerWaalsContact NZ-OE2 3.16Å; R471-E491 IonicContact CZ-OE1 3.73Å; R471-E491 IonicContact CZ-OE2 2.75Å; R471-E491 IonicContact NH1-OE1 3.99Å; R471-E491 PolarHBondContact NH1-OE1 3.32Å; R471-E491 IonicContact NH1-OE2 3.59Å; R471-E491 IonicContact NH2-OE1 3.18Å; R471-E491 PolarHBondContact NH2-OE1 2.67Å; R471-E491 VanDerWaalsContact NH2-OE1 3.14Å; R471-E491 IonicContact NH2-OE2 3.94Å; R471-E491 PolarHBondContact NH2-OE2 3.45Å; K487-E491 WeakPolarHBondContact CE-OE1 3.39Å; K487-E491 WeakPolarHBondContact O-CB 3.42Å; K487-E491 VanDerWaalsContact O-CG 3.27Å; K487-E491 WeakPolarHBondContact O-CG 3.47Å; K487-E491 PolarHBondContact O-N 3.13Å; D488-E491 PolarHBondContact O-N 2.83Å; E491-A493 VanDerWaalsContact C-N 3.35Å; E491-I494 PolarHBondContact O-N 3.17Å; E491-E495 WeakPolarHBondContact O-CB 3.43Å; E491-E495 VanDerWaalsContact O-CG 3.28Å; E491-E495 WeakPolarHBondContact O-CG 3.32Å; E491-E495 PolarHBondContact O-N 3.35Å; E491-V579 HydrophobicContact CG-CG1 4.34Å; E491-V579 HydrophobicContact CG-CG2 3.97Å
492D96.6Very high96Very high34 Ų3439 Ų3918%0.18218%0.179CC..Hα-helixtrans-68.1-32.8177.5-77.5-16.6000112.8K469 D488 I489 E495 D496 K497 L498K469-D492 WeakPolarHBondContact CE-OD1 3.35Å; K469-D492 IonicContact NZ-OD1 2.77Å; K469-D492 PolarHBondContact NZ-OD1 3.27Å; D488-D492 WeakPolarHBondContact O-CB 2.8Å; D488-D492 PolarHBondContact O-N 2.81Å; I489-D492 PolarHBondContact O-N 2.59Å; D492-E495 PolarHBondContact O-N 3.29Å; D492-D496 PolarHBondContact O-N 3.24Å; D492-D496 VanDerWaalsContact O-N 3.17Å; D492-K497 HydrophobicContact CB-CB 4.27Å; D492-K497 PolarHBondContact O-N 3.04Å; D492-L498 HydrophobicContact CB-CB 4.08Å; D492-L498 HydrophobicContact CB-CD1 4.12Å; D492-L498 PolarHBondContact O-N 3.17Å; D492-L498 VanDerWaalsContact O-N 3.08Å
493A96Very high96.1Very high1 Ų137.8 Ų37.81%0.00818%0.175CC..Hα-helixtrans-64.9-43.6173.800000111.6Q233 I489 V490 E491 E495 D496 L498 L560Q233-A493 PolarHBondContact NE2-O 3Å; I489-A493 WeakPolarHBondContact O-CB 3.26Å; I489-A493 PolarHBondContact O-N 2.9Å; V490-A493 PolarHBondContact O-N 3.4Å; E491-A493 VanDerWaalsContact C-N 3.35Å; A493-E495 VanDerWaalsContact C-N 3.32Å; A493-D496 PolarHBondContact O-N 3.48Å; A493-L498 HydrophobicContact CB-CB 4.48Å; A493-L498 HydrophobicContact CB-CD2 4.07Å; A493-L560 HydrophobicContact CB-CD1 4.23Å; A493-L560 HydrophobicContact CB-CD2 3.8Å
494I95.4Very high96.1Very high12 Ų1238.6 Ų38.66%0.06218%0.18CC..Hα-helixtrans-66.7-34177.6-75.7171.5000112.1V490 E491 D496 L560 V579 K583 W586 V588V490-I494 HydrophobicContact CG1-CD1 4.21Å; V490-I494 WeakPolarHBondContact O-CG1 3.38Å; V490-I494 PolarHBondContact O-N 3.04Å; V490-I494 VanDerWaalsContact O-N 3.08Å; E491-I494 PolarHBondContact O-N 3.17Å; I494-D496 VanDerWaalsContact C-N 3.32Å; I494-L560 HydrophobicContact CD1-CD2 4.4Å; I494-L560 HydrophobicContact CG1-CD2 4.07Å; I494-V579 HydrophobicContact CD1-CG1 3.59Å; I494-K583 HydrophobicContact CD1-CB 4.42Å; I494-K583 HydrophobicContact CD1-CG 4.41Å; I494-K583 HydrophobicContact CG2-CB 4.33Å; I494-K583 HydrophobicContact CG2-CD 4.45Å; I494-K583 HydrophobicContact CG2-CG 4.19Å; I494-W586 HydrophobicContact CB-CD2 4.44Å; I494-W586 HydrophobicContact CB-CG 4.47Å; I494-W586 HydrophobicContact CD1-CB 3.89Å; I494-W586 HydrophobicContact CD1-CG 4.19Å; I494-W586 HydrophobicContact CG1-CB 4.21Å; I494-W586 HydrophobicContact CG1-CD2 3.88Å; I494-W586 HydrophobicContact CG1-CE3 4.07Å; I494-W586 HydrophobicContact CG1-CG 3.97Å; I494-W586 HydrophobicContact CG2-CB 4.44Å; I494-W586 HydrophobicContact CG2-CD2 4.17Å; I494-W586 HydrophobicContact CG2-CG 3.82Å; I494-V588 HydrophobicContact CD1-CG2 3.91Å
495E94.6Very high96Very high64 Ų6440 Ų4030%0.29919%0.186SC..THydrogen-bonded Turntrans-884.3179.5-68.8179.2-166.900113.8E491 D492 A493 K497 K583E491-E495 WeakPolarHBondContact O-CB 3.43Å; E491-E495 VanDerWaalsContact O-CG 3.28Å; E491-E495 WeakPolarHBondContact O-CG 3.32Å; E491-E495 PolarHBondContact O-N 3.35Å; D492-E495 PolarHBondContact O-N 3.29Å; A493-E495 VanDerWaalsContact C-N 3.32Å; E495-K497 HydrophobicContact CB-CD 4.06Å; E495-K497 HydrophobicContact CB-CG 4.19Å; E495-K497 PolarHBondContact O-N 3.27Å; E495-K497 WeakPolarHBondContact OE2-CE 3.44Å; E495-K497 IonicContact OE2-NZ 3.82Å; E495-K497 PolarHBondContact OE2-NZ 3.16Å; E495-K583 WeakPolarHBondContact OE1-CE 3.33Å; E495-K583 IonicContact OE1-NZ 2.91Å; E495-K583 PolarHBondContact OE1-NZ 3.13Å
496D93.5Very high95.8Very high104 Ų10440.8 Ų40.856%0.55619%0.19SC*.THydrogen-bonded Turntrans55.730.9-174.8-62.1-50.9000113.7D492 A493 I494D492-D496 PolarHBondContact O-N 3.24Å; D492-D496 VanDerWaalsContact O-N 3.17Å; A493-D496 PolarHBondContact O-N 3.48Å; I494-D496 VanDerWaalsContact C-N 3.32Å
497K95.4Very high94.6Very high139 Ų13944.1 Ų44.160%0.60422%0.217SC*.  trans-107.1-6.2179.6-69.5175.7-171.5164.20114.1D492 E495 D499D492-K497 HydrophobicContact CB-CB 4.27Å; D492-K497 PolarHBondContact O-N 3.04Å; E495-K497 HydrophobicContact CB-CD 4.06Å; E495-K497 HydrophobicContact CB-CG 4.19Å; E495-K497 PolarHBondContact O-N 3.27Å; E495-K497 WeakPolarHBondContact OE2-CE 3.44Å; E495-K497 IonicContact OE2-NZ 3.82Å; E495-K497 PolarHBondContact OE2-NZ 3.16Å; K497-D499 PolarHBondContact O-N 3.19Å
498L95.2Very high92.7Very high10 Ų1046.8 Ų46.85%0.05225%0.247CC..SBendtrans-65.5122.6-177.9-171.467.6000111.1R194 L235 I489 D492 A493 Q500 F503R194-L498 PolarHBondContact NH2-O 2.96Å; R194-L498 VanDerWaalsContact NH2-O 3.11Å; L235-L498 HydrophobicContact CD2-CD2 4.42Å; I489-L498 HydrophobicContact CB-CD1 4.38Å; I489-L498 HydrophobicContact CG1-CD1 4.48Å; I489-L498 HydrophobicContact CG2-CD1 4Å; I489-L498 HydrophobicContact CG2-CD2 4.17Å; D492-L498 HydrophobicContact CB-CB 4.08Å; D492-L498 HydrophobicContact CB-CD1 4.12Å; D492-L498 PolarHBondContact O-N 3.17Å; D492-L498 VanDerWaalsContact O-N 3.08Å; A493-L498 HydrophobicContact CB-CB 4.48Å; A493-L498 HydrophobicContact CB-CD2 4.07Å; L498-Q500 PolarHBondContact O-N 3.01Å; L498-Q500 VanDerWaalsContact O-N 3.13Å; L498-F503 HydrophobicContact CD1-CD2 3.54Å; L498-F503 HydrophobicContact CD1-CE2 3.73Å; L498-F503 HydrophobicContact CD1-CG 4.14Å; L498-F503 HydrophobicContact CD1-CZ 4.47Å; L498-F503 HydrophobicContact CD2-CB 3.58Å; L498-F503 HydrophobicContact CD2-CD1 4.21Å; L498-F503 HydrophobicContact CD2-CD2 3.92Å; L498-F503 HydrophobicContact CD2-CG 3.64Å; L498-F503 HydrophobicContact CG-CB 3.84Å; L498-F503 HydrophobicContact CG-CD2 3.56Å; L498-F503 HydrophobicContact CG-CE2 4.27Å; L498-F503 HydrophobicContact CG-CG 3.81Å
499D94.6Very high90.6Very high50 Ų5053.4 Ų53.427%0.26727%0.272SS..  trans-55.4114.4-173.7-170.1-23.7000111.7K497 R501 H502 F503K497-D499 PolarHBondContact O-N 3.19Å; D499-R501 PolarHBondContact O-N 3.12Å; D499-R501 VanDerWaalsContact OD1-CB 3.31Å; D499-R501 WeakPolarHBondContact OD1-CB 3.22Å; D499-R501 PolarHBondContact OD1-N 3.43Å; D499-R501 IonicContact OD1-NE 3.79Å; D499-R501 PolarHBondContact OD1-NE 3.04Å; D499-R501 IonicContact OD2-CZ 3.8Å; D499-R501 IonicContact OD2-NE 3.43Å; D499-R501 PolarHBondContact OD2-NE 2.56Å; D499-R501 IonicContact OD2-NH2 3.72Å; D499-R501 PolarHBondContact OD2-NH2 2.94Å; D499-H502 PolarHBondContact O-N 3.4Å; D499-H502 IonicContact OD2-CD2 3.09Å; D499-F503 PolarHBondContact O-N 3.14Å
500Q94Very high88.5Confident105 Ų10558.9 Ų58.949%0.49130%0.297SS..THydrogen-bonded Turntrans-68-15.5-177-63.4-171.820.400113.5L498 P504L498-Q500 PolarHBondContact O-N 3.01Å; L498-Q500 VanDerWaalsContact O-N 3.13Å; Q500-P504 WeakPolarHBondContact O-CA 3.27Å; Q500-P504 WeakPolarHBondContact O-CB 3.47Å
501R94.1Very high86.4Confident187 Ų18760.3 Ų60.371%0.70631%0.306SS*.THydrogen-bonded Turntrans-72.1-39.8175.2-64.2176.9-67.2175.72.8111.7S197 D499S197-R501 PolarHBondContact OG-O 2.98Å; D499-R501 PolarHBondContact O-N 3.12Å; D499-R501 VanDerWaalsContact OD1-CB 3.31Å; D499-R501 WeakPolarHBondContact OD1-CB 3.22Å; D499-R501 PolarHBondContact OD1-N 3.43Å; D499-R501 IonicContact OD1-NE 3.79Å; D499-R501 PolarHBondContact OD1-NE 3.04Å; D499-R501 IonicContact OD2-CZ 3.8Å; D499-R501 IonicContact OD2-NE 3.43Å; D499-R501 PolarHBondContact OD2-NE 2.56Å; D499-R501 IonicContact OD2-NH2 3.72Å; D499-R501 PolarHBondContact OD2-NH2 2.94Å
502H95.5Very high83.9Confident27 Ų2764.9 Ų64.913%0.12534%0.335CS..THydrogen-bonded Turntrans-92-26-179.6-69.1-75.4000112.2R196 S197 D198 W464 D499 P504R196-H502 CarbonylContact C-O 3.47Å; R196-H502 VanDerWaalsContact CA-O 3.27Å; R196-H502 WeakPolarHBondContact CA-O 3.23Å; S197-H502 PolarHBondContact N-O 2.84Å; S197-H502 WeakPolarHBondContact OG-CA 3.39Å; S197-H502 PolarHBondContact OG-O 3.22Å; D198-H502 VanDerWaalsContact CG-ND1 3.33Å; D198-H502 IonicContact OD1-CE1 3.69Å; D198-H502 PolarHBondContact OD1-CE1 3.4Å; D198-H502 IonicContact OD1-ND1 3.98Å; D198-H502 PolarHBondContact OD1-ND1 2.84Å; D198-H502 IonicContact OD2-CE1 2.73Å; D198-H502 IonicContact OD2-CG 2.74Å; D198-H502 IonicContact OD2-ND1 2.7Å; D198-H502 PolarHBondContact OD2-ND1 3.3Å; W464-H502 AromaticContact CD1-CE1 3.58Å; W464-H502 AromaticContact CD1-NE2 3.49Å; W464-H502 AromaticContact CD2-CD2 3.89Å; W464-H502 AromaticContact CD2-CE1 3.38Å; W464-H502 AromaticContact CD2-CG 3.83Å; W464-H502 AromaticContact CD2-ND1 3.51Å; W464-H502 AromaticContact CD2-NE2 3.64Å; W464-H502 AromaticContact CE2-CD2 3.46Å; W464-H502 VanDerWaalsContact CE2-CD2 3.46Å; W464-H502 AromaticContact CE2-CE1 3.68Å; W464-H502 AromaticContact CE2-CG 3.8Å; W464-H502 AromaticContact CE2-ND1 3.92Å; W464-H502 AromaticContact CE2-NE2 3.4Å; W464-H502 HydrophobicContact CE3-CB 4.39Å; W464-H502 AromaticContact CE3-CE1 3.93Å; W464-H502 AromaticContact CE3-CG 3.84Å; W464-H502 AromaticContact CE3-ND1 3.56Å; W464-H502 AromaticContact CG-CE1 3.33Å; W464-H502 AromaticContact CG-ND1 3.91Å; W464-H502 AromaticContact CG-NE2 3.7Å; W464-H502 HydrophobicContact CH2-CB 3.92Å; W464-H502 AromaticContact CH2-CG 3.82Å; W464-H502 HydrophobicContact CZ2-CB 4.33Å; W464-H502 AromaticContact CZ2-CD2 3.54Å; W464-H502 AromaticContact CZ2-CG 3.8Å; W464-H502 HydrophobicContact CZ3-CB 3.95Å; W464-H502 AromaticContact CZ3-CG 3.84Å; W464-H502 AromaticContact NE1-CD2 3.78Å; W464-H502 AromaticContact NE1-CE1 3.77Å; W464-H502 AromaticContact NE1-NE2 3.3Å; W464-H502 PolarHBondContact NE1-NE2 3.18Å; D499-H502 PolarHBondContact O-N 3.4Å; D499-H502 IonicContact OD2-CD2 3.09Å; H502-P504 VanDerWaalsContact C-CD 3.46Å
503F96.8Very high81.2Confident2 Ų268.9 Ų68.91%0.00936%0.363CS..SBendtrans-129.961-179.5-54.8-83.2000112R194 Y195 R196 L235 L237 W464 I489 L498 D499R194-F503 VanDerWaalsContact CZ-O 3.25Å; R194-F503 PolarHBondContact NE-O 3.35Å; R194-F503 PolarHBondContact NH2-O 3.46Å; Y195-F503 VanDerWaalsContact O-CA 3.31Å; Y195-F503 WeakPolarHBondContact O-CA 3.47Å; R196-F503 HydrophobicContact CB-CD1 4Å; R196-F503 HydrophobicContact CB-CE1 3.79Å; R196-F503 HydrophobicContact CG-CE1 4.01Å; L235-F503 HydrophobicContact CD1-CD1 3.97Å; L237-F503 HydrophobicContact CD2-CD1 4.28Å; L237-F503 HydrophobicContact CD2-CE1 3.71Å; W464-F503 AromaticContact CH2-CE2 3.87Å; W464-F503 HydrophobicContact CH2-CE2 3.87Å; W464-F503 HydrophobicContact CH2-CZ 4.47Å; W464-F503 HydrophobicContact CZ3-CE2 4.08Å; W464-F503 HydrophobicContact CZ3-CZ 4.27Å; I489-F503 HydrophobicContact CD1-CE1 4.28Å; I489-F503 HydrophobicContact CD1-CZ 3.84Å; I489-F503 HydrophobicContact CG1-CZ 4.17Å; L498-F503 HydrophobicContact CD1-CD2 3.54Å; L498-F503 HydrophobicContact CD1-CE2 3.73Å; L498-F503 HydrophobicContact CD1-CG 4.14Å; L498-F503 HydrophobicContact CD1-CZ 4.47Å; L498-F503 HydrophobicContact CD2-CB 3.58Å; L498-F503 HydrophobicContact CD2-CD1 4.21Å; L498-F503 HydrophobicContact CD2-CD2 3.92Å; L498-F503 HydrophobicContact CD2-CG 3.64Å; L498-F503 HydrophobicContact CG-CB 3.84Å; L498-F503 HydrophobicContact CG-CD2 3.56Å; L498-F503 HydrophobicContact CG-CE2 4.27Å; L498-F503 HydrophobicContact CG-CG 3.81Å; D499-F503 PolarHBondContact O-N 3.14Å
504P96.8Very high78.3Confident27 Ų2772.7 Ų72.718%0.17539%0.39CS..  trans-65.1158179.529-37.1000112.3R194 Y195 Q500 H502R194-P504 VanDerWaalsContact CA-O 3.27Å; R194-P504 WeakPolarHBondContact CA-O 3.43Å; Y195-P504 HydrophobicContact CD1-CG 4.49Å; Y195-P504 HydrophobicContact CE1-CG 3.87Å; Y195-P504 HydrophobicContact CE2-CG 3.94Å; Y195-P504 PolarHBondContact N-O 2.91Å; Y195-P504 WeakPolarHBondContact O-CD 3.3Å; Q500-P504 WeakPolarHBondContact O-CA 3.27Å; Q500-P504 WeakPolarHBondContact O-CB 3.47Å; H502-P504 VanDerWaalsContact C-CD 3.46Å
505F96.6Very high75.7Confident29 Ų2982.3 Ų82.313%0.12743%0.427CS..BIsolated β-bridgetrans-81.8141.5163.3-70.4-87.6000109.6V193 R194 Q233 A507V193-F505 WeakPolarHBondContact O-CA 3.43Å; R194-F505 VanDerWaalsContact CD-CE1 3.46Å; R194-F505 VanDerWaalsContact CD-CZ 3.47Å; R194-F505 HydrophobicContact CG-CD1 3.27Å; R194-F505 HydrophobicContact CG-CD2 4.22Å; R194-F505 HydrophobicContact CG-CE1 3.33Å; R194-F505 HydrophobicContact CG-CE2 4.26Å; R194-F505 HydrophobicContact CG-CG 3.76Å; R194-F505 HydrophobicContact CG-CZ 3.85Å; Q233-F505 HydrophobicContact CG-CE1 4.28Å; F505-A507 VanDerWaalsContact C-N 3.31Å; F505-A507 PolarHBondContact O-N 3.25Å
506L92.3Very high72.8Confident27 Ų2790.6 Ų90.614%0.14146%0.455CS..THydrogen-bonded Turntrans-62.3-32.5-174.7-17268.6000114.4V193 Y195 I203 A206 Q210V193-L506 HydrophobicContact CB-CB 4.44Å; V193-L506 PolarHBondContact O-N 2.97Å; Y195-L506 HydrophobicContact CD1-CD1 4.26Å; Y195-L506 HydrophobicContact CE1-CD1 3.9Å; I203-L506 HydrophobicContact CG1-CD1 4.12Å; A206-L506 HydrophobicContact CB-CD1 3.86Å; A206-L506 HydrophobicContact CB-CD2 4.16Å; A206-L506 HydrophobicContact CB-CG 4.49Å; A206-L506 VanDerWaalsContact O-CD2 3.31Å; A206-L506 WeakPolarHBondContact O-CD2 3.31Å; Q210-L506 HydrophobicContact CB-CD2 3.61Å; Q210-L506 HydrophobicContact CG-CD2 4.11Å
507A71.6Confident69.9Low70 Ų7092 Ų9258%0.57947%0.468SS*.THydrogen-bonded Turntrans-122.415.6-171.500000113.8F505 R509F505-A507 VanDerWaalsContact C-N 3.31Å; F505-A507 PolarHBondContact O-N 3.25Å; A507-R509 PolarHBondContact O-N 3.04Å
508G58Low66.9Low63 Ų6391.2 Ų91.265%0.64948%0.477SS*.  trans59.96.9-172.800000114.6Q510G508-Q510 PolarHBondContact O-N 3.1Å
509R54.2Low64.1Low143 Ų14396 Ų9654%0.5451%0.511SS..  trans-64.284.2168.2-85.3-174.6175.5166.5-0.5108Y190 A507Y190-R509 VanDerWaalsContact CE1-NH1 3.32Å; Y190-R509 PolarHBondContact OH-NH1 3.1Å; A507-R509 PolarHBondContact O-N 3.04Å
510Q52.3Low61.2Low118 Ų118104.4 Ų104.455%0.55154%0.539SS*.  trans-68.8133.5162.9-71.3-173.6-2100107.7G508 V512G508-Q510 PolarHBondContact O-N 3.1Å; Q510-V512 PolarHBondContact O-N 2.86Å
511V53.3Low58.4Low32 Ų32110.2 Ų110.219%0.19456%0.558CS.*  trans-57.5113.3164.7-178.60000106.3R231 P513R231-V511 HydrophobicContact CB-CG1 4.26Å; R231-V511 HydrophobicContact CG-CG1 3.98Å; V511-P513 VanDerWaalsContact O-CD 3.23Å; V511-P513 WeakPolarHBondContact O-CD 3.37Å
512V44.9Very low55.7Low118 Ų118106.6 Ų106.672%0.71557%0.568SS**  trans-63.1120.3176.1-177.50000106.9Q510 S514Q510-V512 PolarHBondContact O-N 2.86Å; V512-S514 VanDerWaalsContact C-N 3.31Å; V512-S514 PolarHBondContact O-N 3.48Å
513P40.6Very low52.7Low118 Ų118114.7 Ų114.777%0.76660%0.603SS**  trans-72.388.9178.7-11.526.8000109.2V511V511-P513 VanDerWaalsContact O-CD 3.23Å; V511-P513 WeakPolarHBondContact O-CD 3.37Å
514S35.5Very low49.9Very low82 Ų82125.6 Ų125.657%0.57364%0.644SS**  trans-76127.3161.348.10000108.1V512V512-S514 VanDerWaalsContact C-N 3.31Å; V512-S514 PolarHBondContact O-N 3.48Å
515Y39.3Very low47Very low214 Ų214132.2 Ų132.284%0.83967%0.672SS**  trans95.184.4178.5-55.6-77.3000117.2
516R34.6Very low44.3Very low238 Ų238137.2 Ų137.290%0.89870%0.7SS**  trans-67.3120.8141.9-69.5-176.8-173.7-177.52.2108
517T31.8Very low41.6Very low133 Ų133143.2 Ų143.282%0.81673%0.728SS**  trans-53.5128.5164.117.30000109.5S519T517-S519 PolarHBondContact O-N 2.85Å; T517-S519 VanDerWaalsContact O-N 3.17Å
518P33.8Very low40Very low122 Ų122148.7 Ų148.779%0.79274%0.741SS**  trans-71.1115.4174.6-9.524.4000108.7R520P518-R520 PolarHBondContact O-N 2.63Å
519S36.5Very low39Very low111 Ų111151.1 Ų151.178%0.77675%0.749SS**  trans-60.3130.4164.865.80000108.6T517T517-S519 PolarHBondContact O-N 2.85Å; T517-S519 VanDerWaalsContact O-N 3.17Å
520R32.7Very low38.4Very low226 Ų226149.3 Ų149.385%0.85376%0.755SS**SBendtrans-52.6151.9166.7-66.1175.8-179178.40.1109.2P518P518-R520 PolarHBondContact O-N 2.63Å
521Y36.3Very low37.5Very low228 Ų228151.4 Ų151.489%0.89477%0.77SS**  trans90.887.9-179.3-58.8-83.9000116.5
522A36.2Very low36.7Very low110 Ų110155.2 Ų155.291%0.90980%0.798SS**  177.9125.2122.900000111.6
523F33.8Very low36.1Very low198 Ų198155.4 Ų155.487%0.86880%0.799SS**  trans-79.6137.6175.2-118.2-105.6000110.9
524R36.9Very low35.6Very low230 Ų230159.9 Ų159.987%0.86880%0.801SS**  154.3117.2128.4-88-177.4174.9-178.6-1.1115
525H36.8Very low35.5Very low166 Ų166165.8 Ų165.877%0.76981%0.812SS**  trans32119.3136.3-77.9-89.9000122.6
526N38.6Very low35Very low134 Ų134164 Ų16472%0.71781%0.809SS**  173.1113.4100.1-119.512000110
527E36.5Very low35Very low154 Ų154161.5 Ų161.572%0.7281%0.807SS**  66.8101.2103.4-79.6-162.2171.700117.6
528Q38.5Very low35.1Very low184 Ų184160.6 Ų160.686%0.8681%0.807SS**  163.3135.1116.5-85.7166.120.200112.2
529S36.3Very low34.9Very low115 Ų115159 Ų15980%0.80480%0.803SS**  trans-88.1-165.3-163.3-38.40000113.8
530P41.6Very low34.5Very low105 Ų105165.1 Ų165.168%0.68281%0.809SS**  cis-145.3178.6-426.31.3000118.1
531L32.4Very low34.3Very low162 Ų162165.6 Ų165.685%0.84881%0.813SS**  trans8499.7153.9-62.4132.5000120.8
532S36.4Very low34Very low112 Ų112157.3 Ų157.378%0.78380%0.797SS**  -177.5121.5106.172.10000112.8
533T34.2Very low33.7Very low122 Ų122161.2 Ų161.275%0.74880%0.796SS**  trans50.394.6147-35.40000120Y535T533-Y535 HydrophobicContact CG2-CD2 4.4Å; T533-Y535 HydrophobicContact CG2-CE2 4.23Å
534R29.2Very low33.5Very low212 Ų212163.4 Ų163.480%0.880%0.799SS**  trans-84132.5160.8-69.8172.4-170.6174.67.7110.5F536R534-F536 HydrophobicContact CB-CD2 3.98Å; R534-F536 HydrophobicContact CB-CE2 4.3Å; R534-F536 HydrophobicContact CG-CD2 4.09Å; R534-F536 HydrophobicContact CG-CE2 3.93Å
535Y33.3Very low33.2Very low206 Ų206161.5 Ų161.581%0.80880%0.8SS**  trans-108.5101.8146.8-83.2-87.3000108T533T533-Y535 HydrophobicContact CG2-CD2 4.4Å; T533-Y535 HydrophobicContact CG2-CE2 4.23Å
536F28.8Very low32.9Very low177 Ų177162.9 Ų162.978%0.77680%0.803SS**  trans-102.5119.8156.5-76.2-81.5000106.3R534R534-F536 HydrophobicContact CB-CD2 3.98Å; R534-F536 HydrophobicContact CB-CE2 4.3Å; R534-F536 HydrophobicContact CG-CD2 4.09Å; R534-F536 HydrophobicContact CG-CE2 3.93Å
537Q35.5Very low32.4Very low184 Ų184165.3 Ų165.386%0.8681%0.81SS**  trans-115.4134161.9-84.5-175.2-16.600109.6
538S32.1Very low32Very low115 Ų115170.3 Ų170.380%0.80482%0.823SS**  trans-75.7151.3-165.151.40000114.1
539A31Very low31.5Very low87 Ų87164.7 Ų164.772%0.71981%0.814SS**SBendtrans-60.2152.8159.900000112
540R27.8Very low31.2Very low240 Ų240169 Ų16991%0.90682%0.822SS**  trans89.786171-53.6-179.3-164.6-169.34.1116.5
541Y29.3Very low30.6Very low236 Ų236170.9 Ų170.993%0.92582%0.821SS**  -165.7136.3124-134.4-105.6000109
542G28.3Very low30.9Very low54 Ų54166 Ų16656%0.55780%0.796SS**  trans-73.8167.7-166.800000115.1
543Q30.4Very low30.9Very low193 Ų193168 Ų16890%0.90279%0.793SS**  trans-163.1103.9150.9-111.2149.3-8.700110.2H545Q543-H545 PolarHBondContact O-N 3.06Å
544W29.4Very low31.8Very low244 Ų244167.8 Ų167.892%0.92478%0.779SS**  trans-53.6105.6161.9-64.664.6000108.1
545H30.8Very low33.3Very low190 Ų190163 Ų16388%0.8876%0.761SS**  trans166.876160.8-89.6-64.3000109.1Q543Q543-H545 PolarHBondContact O-N 3.06Å
546K30.1Very low34.9Very low194 Ų194158.2 Ų158.284%0.84376%0.757SS**  trans-146.267.5162.3-91-165.8178.1-178.40110.3
547E29.6Very low37.3Very low186 Ų186150.6 Ų150.687%0.86973%0.728SS**  trans-128.496.9160.3-76.3-172.5170.700107.4
548R27.4Very low40.1Very low258 Ų258141.8 Ų141.897%0.97469%0.687SS**SBendtrans145.789.6160.7-83.1170.3-177.4-160.11110.3
549G28.7Very low43.1Very low67 Ų67136.8 Ų136.869%0.69165%0.651SS**  trans166.9100.9170.500000108.6Q551G549-Q551 VanDerWaalsContact C-N 3.31Å; G549-Q551 PolarHBondContact O-N 3.45Å
550Q29.7Very low46.3Very low204 Ų204132.7 Ų132.795%0.95362%0.617SS**  trans-62.891.2173-78.2161.5-32.400108.6
551Q27.2Very low49.6Very low145 Ų145121.2 Ų121.268%0.67857%0.573SS**  trans-82113.5167.8-81.5-170.9-3500108.4G549 H553G549-Q551 VanDerWaalsContact C-N 3.31Å; G549-Q551 PolarHBondContact O-N 3.45Å; Q551-H553 PolarHBondContact O-N 3.01Å; Q551-H553 VanDerWaalsContact O-N 3.13Å
552I39.7Very low52.9Low61 Ų61110 Ų11031%0.31353%0.529SS..  trans-60.7109167.8-60.8166.9000106.6A9 Y554A9-I552 HydrophobicContact CB-CD1 4.42Å; I552-Y554 HydrophobicContact CB-CE2 4.48Å; I552-Y554 HydrophobicContact CG2-CD1 4.19Å; I552-Y554 HydrophobicContact CG2-CE1 3.88Å; I552-Y554 HydrophobicContact CG2-CE2 4.42Å; I552-Y554 WeakPolarHBondContact O-CD2 2.95Å; I552-Y554 PolarHBondContact O-N 3.42Å
553H37.5Very low56.3Low154 Ų154107.4 Ų107.471%0.71350%0.503SS*.  trans-7897.4172.9-92.7-77.6000108.5Q551 R555Q551-H553 PolarHBondContact O-N 3.01Å; Q551-H553 VanDerWaalsContact O-N 3.13Å; H553-R555 PolarHBondContact O-N 2.92Å
554Y51.3Low59.5Low117 Ų11798.2 Ų98.246%0.45946%0.46SS..  trans-62.9127.3169-55.5-78.8000109.4P6 Y10 I552 S556P6-Y554 HydrophobicContact CB-CD1 4Å; Y10-Y554 HydrophobicContact CE1-CD1 4.29Å; Y10-Y554 AromaticContact CE1-CE1 3.96Å; Y10-Y554 HydrophobicContact CE1-CE1 3.96Å; Y10-Y554 AromaticContact CE2-CD1 3.94Å; Y10-Y554 HydrophobicContact CE2-CD1 3.94Å; Y10-Y554 HydrophobicContact CE2-CE1 4.21Å; Y10-Y554 AromaticContact CZ-CD1 3.51Å; Y10-Y554 AromaticContact CZ-CE1 3.63Å; Y10-Y554 WeakPolarHBondContact OH-CD1 3.32Å; I552-Y554 HydrophobicContact CB-CE2 4.48Å; I552-Y554 HydrophobicContact CG2-CD1 4.19Å; I552-Y554 HydrophobicContact CG2-CE1 3.88Å; I552-Y554 HydrophobicContact CG2-CE2 4.42Å; I552-Y554 WeakPolarHBondContact O-CD2 2.95Å; I552-Y554 PolarHBondContact O-N 3.42Å; Y554-S556 PolarHBondContact O-N 3.02Å
555R62.4Low62.8Low112 Ų11286.7 Ų86.742%0.42342%0.416SS..  trans-73118.6165.7-74.1-167-178.3-1599.7107.3H553 T580H553-R555 PolarHBondContact O-N 2.92Å; R555-T580 PolarHBondContact NH1-O 2.9Å
556S65.5Low66Low105 Ų10577.6 Ų77.673%0.73437%0.374SS*.  trans-101.128-173.267.30000113E228 Y554E228-S556 WeakPolarHBondContact CB-O 3.23Å; E228-S556 VanDerWaalsContact CG-O 3.31Å; E228-S556 WeakPolarHBondContact CG-O 3.23Å; Y554-S556 PolarHBondContact O-N 3.02Å
557G80.4Confident69.2Low16 Ų1668.4 Ų68.417%0.16533%0.334CS..SBendtrans-97.7174.2-176.400000113.3A585G557-A585 WeakPolarHBondContact CA-O 3.49Å
558P93.1Very high72.5Confident0 Ų059.5 Ų59.50%029%0.293CS..  trans-60.3146.1172.227.6-40.7000111.6E228 R231 A585 W586 E587E228-P558 WeakPolarHBondContact O-CA 3.18Å; E228-P558 WeakPolarHBondContact O-CB 3.25Å; E228-P558 WeakPolarHBondContact OE2-CD 3.46Å; R231-P558 HydrophobicContact CB-CB 3.98Å; P558-A585 VanDerWaalsContact CD-O 3.23Å; P558-A585 WeakPolarHBondContact CD-O 3.16Å; P558-W586 HydrophobicContact CB-CD2 3.88Å; P558-W586 HydrophobicContact CB-CE3 3.64Å; P558-W586 HydrophobicContact CB-CH2 3.88Å; P558-W586 HydrophobicContact CB-CZ2 4.12Å; P558-W586 HydrophobicContact CB-CZ3 3.64Å; P558-W586 HydrophobicContact CG-CD2 3.44Å; P558-W586 VanDerWaalsContact CG-CD2 3.44Å; P558-W586 HydrophobicContact CG-CE3 3.75Å; P558-W586 HydrophobicContact CG-CG 3.85Å; P558-W586 HydrophobicContact CG-CH2 4.27Å; P558-W586 HydrophobicContact CG-CZ2 4Å; P558-W586 HydrophobicContact CG-CZ3 4.15Å; P558-W586 WeakPolarHBondContact O-CA 3.39Å; P558-E587 PolarHBondContact O-N 3.25Å
559R95.6Very high75.9Confident9 Ų947.5 Ų47.53%0.03425%0.248CC..EExtended strand (participates in β ladder)trans-109.9136.1-179.6-66.7-179.1175.2-108.80.6111.5D7 E189 S232 Q233 I561 E587D7-R559 IonicContact OD1-CZ 3.4Å; D7-R559 IonicContact OD1-NH1 2.64Å; D7-R559 PolarHBondContact OD1-NH1 2.78Å; D7-R559 IonicContact OD1-NH2 2.77Å; D7-R559 PolarHBondContact OD1-NH2 3.46Å; D7-R559 VanDerWaalsContact OD1-NH2 3.11Å; D7-R559 IonicContact OD2-CZ 2.93Å; D7-R559 IonicContact OD2-NH1 3.21Å; D7-R559 PolarHBondContact OD2-NH1 2.99Å; D7-R559 IonicContact OD2-NH2 2.67Å; E189-R559 WeakPolarHBondContact OE1-CD 3.39Å; E189-R559 IonicContact OE1-NE 3.42Å; S232-R559 CarbonylContact C-O 3.58Å; S232-R559 WeakPolarHBondContact CA-O 3.4Å; S232-R559 VanDerWaalsContact CB-O 3.32Å; S232-R559 WeakPolarHBondContact CB-O 3.48Å; S232-R559 PolarHBondContact OG-N 3.43Å; Q233-R559 PolarHBondContact N-O 2.8Å; R559-I561 HydrophobicContact CB-CG1 4.44Å; R559-E587 CarbonylContact C-O 3.59Å; R559-E587 VanDerWaalsContact CA-O 3.25Å; R559-E587 WeakPolarHBondContact CA-O 3.23Å; R559-E587 HydrophobicContact CG-CB 4.29Å; R559-E587 IonicContact CZ-OE2 3.55Å; R559-E587 IonicContact NE-OE2 3.44Å; R559-E587 PolarHBondContact NE-OE2 3.05Å; R559-E587 IonicContact NH1-OE1 2.8Å; R559-E587 IonicContact NH1-OE2 3.89Å; R559-E587 PolarHBondContact NH1-OE2 2.76Å; R559-E587 IonicContact NH2-OE1 3.78Å; R559-E587 IonicContact NH2-OE2 3.13Å; R559-E587 PolarHBondContact NH2-OE2 3.29Å
560L97.6Very high79.2Confident1 Ų145.2 Ų45.21%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-105104.8164.2177.262.1000107.9Q233 V490 A493 I494 V562 W586 E587 V588 I589Q233-L560 HydrophobicContact CB-CD1 3.76Å; V490-L560 HydrophobicContact CB-CD2 4.1Å; V490-L560 HydrophobicContact CG1-CD2 3.64Å; V490-L560 HydrophobicContact CG2-CD2 4.25Å; A493-L560 HydrophobicContact CB-CD1 4.23Å; A493-L560 HydrophobicContact CB-CD2 3.8Å; I494-L560 HydrophobicContact CD1-CD2 4.4Å; I494-L560 HydrophobicContact CG1-CD2 4.07Å; L560-V562 HydrophobicContact CD2-CG2 4.49Å; L560-V562 HydrophobicContact CG-CG2 4.1Å; L560-W586 HydrophobicContact CB-CE3 4.34Å; L560-W586 HydrophobicContact CB-CZ3 4.49Å; L560-E587 PolarHBondContact N-O 2.96Å; L560-V588 CarbonylContact O-C 3.55Å; L560-V588 WeakPolarHBondContact O-CA 3.41Å; L560-I589 PolarHBondContact O-N 2.83Å
561I98.3Very high82.5Confident0 Ų035.7 Ų35.70%018%0.175CC..EExtended strand (participates in β ladder)trans-90.4124.8176.8-54.8174.1000107.6Y149 L187 E189 P191 Q233 L234 L235 R559 I589Y149-I561 HydrophobicContact CE1-CG2 4.24Å; L187-I561 HydrophobicContact CD1-CD1 4.21Å; E189-I561 HydrophobicContact CB-CD1 4.34Å; P191-I561 HydrophobicContact CG-CD1 4.37Å; Q233-I561 PolarHBondContact O-N 2.7Å; L234-I561 CarbonylContact C-O 3.59Å; L234-I561 VanDerWaalsContact CA-O 3.25Å; L234-I561 WeakPolarHBondContact CA-O 3.28Å; L234-I561 HydrophobicContact CB-CB 4.43Å; L234-I561 HydrophobicContact CD1-CB 4.2Å; L234-I561 HydrophobicContact CD1-CG2 3.89Å; L234-I561 HydrophobicContact CG-CB 4.43Å; L234-I561 HydrophobicContact CG-CG2 4.44Å; L235-I561 PolarHBondContact N-O 3.28Å; R559-I561 HydrophobicContact CB-CG1 4.44Å; I561-I589 CarbonylContact C-O 3.51Å; I561-I589 VanDerWaalsContact CA-O 3.28Å; I561-I589 WeakPolarHBondContact CA-O 3.4Å
562V98.7Very high85.9Confident0 Ų028.8 Ų28.80%014%0.142CC..EExtended strand (participates in β ladder)trans-115.5134.1177.9-175.60000108.9Y149 L235 L237 L486 V490 L560 I564 I589 I590 G591Y149-V562 PolarHBondContact OH-O 3.11Å; L235-V562 WeakPolarHBondContact O-CA 3.26Å; L237-V562 HydrophobicContact CD1-CG1 3.9Å; L486-V562 HydrophobicContact CD1-CG1 4.03Å; V490-V562 HydrophobicContact CG2-CG2 4.12Å; L560-V562 HydrophobicContact CD2-CG2 4.49Å; L560-V562 HydrophobicContact CG-CG2 4.1Å; V562-I564 HydrophobicContact CG1-CG1 4.35Å; V562-I589 PolarHBondContact N-O 3.12Å; V562-I590 HydrophobicContact CB-CD1 4.42Å; V562-I590 HydrophobicContact CB-CG1 4.16Å; V562-I590 HydrophobicContact CG1-CD1 4.39Å; V562-I590 HydrophobicContact CG1-CG1 4.43Å; V562-I590 CarbonylContact O-C 3.46Å; V562-I590 WeakPolarHBondContact O-CA 3.38Å; V562-G591 PolarHBondContact O-N 2.67Å
563F98.8Very high88.7Confident0 Ų025.9 Ų25.90%013%0.128CC..EExtended strand (participates in β ladder)trans-125122.4172.7-173.8-106.2000110.4Y149 L151 I176 I180 L205 L235 L237 V565 G591 S592Y149-F563 AromaticContact CE2-CD2 3.92Å; Y149-F563 HydrophobicContact CE2-CD2 3.92Å; Y149-F563 HydrophobicContact CE2-CE2 4.39Å; Y149-F563 WeakPolarHBondContact OH-CD2 3.41Å; L151-F563 HydrophobicContact CD1-CD2 4.43Å; L151-F563 HydrophobicContact CD1-CE2 3.37Å; L151-F563 HydrophobicContact CD1-CZ 3.49Å; L151-F563 VanDerWaalsContact CD1-CZ 3.49Å; L151-F563 HydrophobicContact CG-CE2 3.8Å; L151-F563 HydrophobicContact CG-CZ 4.31Å; I176-F563 HydrophobicContact CG2-CE1 3.61Å; I176-F563 HydrophobicContact CG2-CZ 3.63Å; I180-F563 HydrophobicContact CD1-CB 4.34Å; I180-F563 HydrophobicContact CD1-CD1 3.47Å; I180-F563 VanDerWaalsContact CD1-CD1 3.47Å; I180-F563 HydrophobicContact CD1-CD2 4.03Å; I180-F563 HydrophobicContact CD1-CE1 3.65Å; I180-F563 HydrophobicContact CD1-CE2 4.21Å; I180-F563 HydrophobicContact CD1-CG 3.66Å; I180-F563 HydrophobicContact CD1-CZ 4.04Å; I180-F563 HydrophobicContact CG1-CD1 4.35Å; I180-F563 HydrophobicContact CG1-CD2 4.01Å; I180-F563 HydrophobicContact CG1-CE1 4.47Å; I180-F563 HydrophobicContact CG1-CE2 4.17Å; I180-F563 HydrophobicContact CG1-CG 4.1Å; I180-F563 HydrophobicContact CG1-CZ 4.41Å; L205-F563 HydrophobicContact CD2-CD1 4.32Å; L205-F563 HydrophobicContact CD2-CE1 4.17Å; L235-F563 PolarHBondContact O-N 2.73Å; L237-F563 PolarHBondContact N-O 3.21Å; F563-V565 HydrophobicContact CD1-CG2 4.05Å; F563-V565 HydrophobicContact CE1-CG2 3.71Å; F563-G591 WeakPolarHBondContact CA-O 2.88Å; F563-S592 VanDerWaalsContact CE2-C 3.42Å; F563-S592 VanDerWaalsContact CE2-CA 3.47Å
564I98.8Very high91.6Very high0 Ų019.4 Ų19.40%010%0.097CC..EExtended strand (participates in β ladder)trans-106.1118.6176.2-58168.7000109L237 F241 V562 L568 I590 G591 S592L237-I564 HydrophobicContact CB-CG1 4.21Å; L237-I564 HydrophobicContact CD1-CG1 4.22Å; L237-I564 CarbonylContact O-C 3.58Å; L237-I564 WeakPolarHBondContact O-CA 3.3Å; F241-I564 HydrophobicContact CD1-CG2 4.48Å; F241-I564 HydrophobicContact CE1-CD1 3.77Å; F241-I564 HydrophobicContact CE1-CG1 4.03Å; F241-I564 HydrophobicContact CE1-CG2 3.96Å; F241-I564 HydrophobicContact CZ-CD1 3.89Å; F241-I564 HydrophobicContact CZ-CG1 4.44Å; V562-I564 HydrophobicContact CG1-CG1 4.35Å; I564-L568 HydrophobicContact CD1-CD1 3.86Å; I564-I590 HydrophobicContact CD1-CD1 4.23Å; I564-G591 PolarHBondContact N-O 2.62Å; I564-S592 VanDerWaalsContact O-CA 3.28Å; I564-S592 WeakPolarHBondContact O-CA 3.37Å; I564-S592 WeakPolarHBondContact O-CB 3.3Å; I564-S592 PolarHBondContact O-OG 3.36Å
565V98.5Very high93.8Very high1 Ų113.9 Ų13.91%0.0068%0.075CC..EExtended strand (participates in β ladder)trans-80.6119.5171.2-170.70000108.9T156 F160 Y161 L205 L237 R239 F563T156-V565 HydrophobicContact CG2-CG1 3.95Å; F160-V565 HydrophobicContact CB-CG1 4.06Å; F160-V565 HydrophobicContact CD1-CB 4.33Å; F160-V565 HydrophobicContact CD1-CG1 3.54Å; F160-V565 HydrophobicContact CD2-CG1 3.8Å; F160-V565 HydrophobicContact CE1-CB 4.1Å; F160-V565 HydrophobicContact CE1-CG1 3.75Å; F160-V565 HydrophobicContact CE2-CG1 4.03Å; F160-V565 HydrophobicContact CG-CG1 3.53Å; F160-V565 HydrophobicContact CZ-CB 4.3Å; F160-V565 HydrophobicContact CZ-CG1 3.99Å; F160-V565 HydrophobicContact CZ-CG2 4.23Å; Y161-V565 PolarHBondContact OH-O 3.12Å; L205-V565 HydrophobicContact CD2-CG2 3.55Å; L237-V565 PolarHBondContact O-N 3.19Å; R239-V565 WeakPolarHBondContact CB-O 3.36Å; R239-V565 PolarHBondContact N-O 2.89Å; F563-V565 HydrophobicContact CD1-CG2 4.05Å; F563-V565 HydrophobicContact CE1-CG2 3.71Å
566G97.6Very high95.5Very high0 Ų08.7 Ų8.70%06%0.056CC..THydrogen-bonded Turntrans104.223.9178.100000115.3F157 R239 D593F157-G566 WeakPolarHBondContact CD2-O 3.31Å; R239-G566 WeakPolarHBondContact CD-O 3.21Å; R239-G566 WeakPolarHBondContact CG-O 3.36Å; G566-D593 WeakPolarHBondContact CA-OD1 3.04Å; G566-D593 PolarHBondContact N-OD1 2.86Å
567G98Very high97Very high0 Ų05 Ų50%03%0.026CC..  trans104.9139.6170.700000116R239 S592 D593 Q594R239-G567 VanDerWaalsContact CD-O 3.31Å; R239-G567 WeakPolarHBondContact CD-O 3.24Å; R239-G567 PolarHBondContact NH1-O 3.46Å; G567-S592 WeakPolarHBondContact CA-OG 3.37Å; G567-S592 PolarHBondContact N-OG 3.26Å; G567-D593 PolarHBondContact N-OD1 2.99Å; G567-Q594 CarbonylContact C-O 3.57Å; G567-Q594 VanDerWaalsContact CA-O 3.29Å; G567-Q594 WeakPolarHBondContact CA-O 3.42Å
568L98.2Very high97.8Very high0 Ų05.8 Ų5.80%03%0.026CC..EExtended strand (participates in β ladder)trans-105.2134173.4175.565.5000111.4V148 I564 E572 M573 I590 S592 Q594 L595 I596V148-L568 HydrophobicContact CG1-CD2 3.72Å; I564-L568 HydrophobicContact CD1-CD1 3.86Å; L568-E572 HydrophobicContact CD1-CB 3.49Å; L568-E572 VanDerWaalsContact CD1-CB 3.49Å; L568-M573 HydrophobicContact CD1-CG 4.47Å; L568-M573 HydrophobicContact CD2-CE 3.82Å; L568-M573 HydrophobicContact CD2-CG 3.63Å; L568-M573 HydrophobicContact CG-CE 3.95Å; L568-M573 HydrophobicContact CG-CG 3.9Å; L568-I590 HydrophobicContact CD1-CD1 3.47Å; L568-I590 VanDerWaalsContact CD1-CD1 3.47Å; L568-I590 HydrophobicContact CD1-CG1 3.75Å; L568-I590 HydrophobicContact CD2-CG1 4.02Å; L568-I590 HydrophobicContact CD2-CG2 4.11Å; L568-S592 PolarHBondContact N-OG 3.01Å; L568-Q594 PolarHBondContact N-O 3.37Å; L568-L595 HydrophobicContact CB-CD2 4.25Å; L568-L595 HydrophobicContact CD2-CD2 4.32Å; L568-I596 WeakPolarHBondContact O-CG1 3.44Å; L568-I596 PolarHBondContact O-N 3.37Å
569T98.6Very high97.9Very high6 Ų65.9 Ų5.94%0.0373%0.026CC..EExtended strand (participates in β ladder)trans-90.4156.3175.565.30000112.3P246 S571 E572 M573 I596P246-T569 HydrophobicContact CB-CG2 3.63Å; P246-T569 HydrophobicContact CG-CG2 4.48Å; T569-S571 VanDerWaalsContact C-N 3.29Å; T569-S571 PolarHBondContact O-N 2.78Å; T569-S571 PolarHBondContact OG1-OG 2.93Å; T569-E572 WeakPolarHBondContact CB-OE2 3.34Å; T569-E572 PolarHBondContact N-OE2 3.42Å; T569-E572 WeakPolarHBondContact O-CB 3.04Å; T569-E572 PolarHBondContact O-N 2.76Å; T569-E572 VanDerWaalsContact O-N 3.15Å; T569-E572 WeakPolarHBondContact OG1-CB 3.31Å; T569-E572 WeakPolarHBondContact OG1-CG 3.33Å; T569-E572 PolarHBondContact OG1-N 3.44Å; T569-E572 PolarHBondContact OG1-OE2 3.27Å; T569-M573 WeakPolarHBondContact O-CG 3.48Å; T569-M573 PolarHBondContact O-N 2.76Å; T569-I596 HydrophobicContact CG2-CD1 3.92Å; T569-I596 HydrophobicContact CG2-CG1 3.93Å
570Y98.6Very high97.9Very high19 Ų195.5 Ų5.58%0.0753%0.025CC..Hα-helixtrans-65.2-29.1175.4-68.1-77000113.7Y144 Q254 Y258 E572 M573 R574 T597Y144-Y570 HydrophobicContact CE1-CE1 4.27Å; Y144-Y570 PolarHBondContact OH-OH 3.33Å; Q254-Y570 VanDerWaalsContact CD-CD1 3.48Å; Q254-Y570 HydrophobicContact CG-CD1 3.46Å; Q254-Y570 VanDerWaalsContact CG-CD1 3.46Å; Q254-Y570 HydrophobicContact CG-CE1 3.89Å; Q254-Y570 HydrophobicContact CG-CG 4.16Å; Y258-Y570 HydrophobicContact CD1-CE1 4.34Å; Y258-Y570 AromaticContact CD1-CE2 3.83Å; Y258-Y570 HydrophobicContact CD1-CE2 3.83Å; Y258-Y570 AromaticContact CD1-CZ 3.48Å; Y258-Y570 VanDerWaalsContact CD1-CZ 3.48Å; Y258-Y570 WeakPolarHBondContact CD1-OH 3.42Å; Y258-Y570 HydrophobicContact CD2-CE1 4.39Å; Y258-Y570 HydrophobicContact CE1-CE1 4.46Å; Y258-Y570 AromaticContact CE1-CZ 3.88Å; Y258-Y570 WeakPolarHBondContact CE1-OH 3.43Å; Y258-Y570 HydrophobicContact CG-CD2 4.44Å; Y258-Y570 HydrophobicContact CG-CE1 4.27Å; Y258-Y570 AromaticContact CG-CE2 3.73Å; Y258-Y570 HydrophobicContact CG-CE2 3.73Å; Y258-Y570 AromaticContact CG-CZ 3.63Å; Y570-E572 VanDerWaalsContact C-N 3.34Å; Y570-M573 HydrophobicContact CD1-CE 4.07Å; Y570-M573 HydrophobicContact CD1-SD 3.53Å; Y570-M573 VanDerWaalsContact CD1-SD 3.53Å; Y570-M573 HydrophobicContact CE1-CE 4.13Å; Y570-M573 HydrophobicContact CE1-SD 3.98Å; Y570-M573 HydrophobicContact CG-SD 4.32Å; Y570-R574 PolarHBondContact O-N 2.94Å; Y570-R574 VanDerWaalsContact O-N 3.11Å; Y570-T597 HydrophobicContact CE2-CG2 4.19Å
571S98.4Very high97.8Very high4 Ų412 Ų123%0.0285%0.05CC..Hα-helixtrans-67.3-34.6172.447.20000112.8E250 T569 R574 C575E250-S571 VanDerWaalsContact OE1-CB 3.23Å; E250-S571 WeakPolarHBondContact OE1-CB 3.41Å; T569-S571 VanDerWaalsContact C-N 3.29Å; T569-S571 PolarHBondContact O-N 2.78Å; T569-S571 PolarHBondContact OG1-OG 2.93Å; S571-R574 WeakPolarHBondContact O-CB 3.24Å; S571-C575 PolarHBondContact O-N 3.49Å; S571-C575 PolarHBondContact O-SG 2.94Å
572E98.7Very high97.5Very high0 Ų016.3 Ų16.30%07%0.072CC..Hα-helixtrans-73.9-37.9176.3-75.5167.3146.500112R239 F241 P484 L486 L568 T569 Y570 R574 C575 A576R239-E572 IonicContact CZ-OE1 3.36Å; R239-E572 IonicContact CZ-OE2 3.79Å; R239-E572 IonicContact NH1-OE1 3.72Å; R239-E572 PolarHBondContact NH1-OE1 3.3Å; R239-E572 IonicContact NH1-OE2 3.08Å; R239-E572 PolarHBondContact NH1-OE2 2.95Å; R239-E572 IonicContact NH2-OE1 3.36Å; R239-E572 PolarHBondContact NH2-OE1 2.81Å; R239-E572 IonicContact NH2-OE2 3.72Å; F241-E572 WeakPolarHBondContact CZ-OE1 3.34Å; P484-E572 HydrophobicContact CB-CG 4.08Å; L486-E572 HydrophobicContact CB-CG 4.15Å; L486-E572 HydrophobicContact CD2-CB 3.5Å; L486-E572 VanDerWaalsContact CD2-CB 3.5Å; L486-E572 HydrophobicContact CD2-CG 3.73Å; L568-E572 HydrophobicContact CD1-CB 3.49Å; L568-E572 VanDerWaalsContact CD1-CB 3.49Å; T569-E572 WeakPolarHBondContact CB-OE2 3.34Å; T569-E572 PolarHBondContact N-OE2 3.42Å; T569-E572 WeakPolarHBondContact O-CB 3.04Å; T569-E572 PolarHBondContact O-N 2.76Å; T569-E572 VanDerWaalsContact O-N 3.15Å; T569-E572 WeakPolarHBondContact OG1-CB 3.31Å; T569-E572 WeakPolarHBondContact OG1-CG 3.33Å; T569-E572 PolarHBondContact OG1-N 3.44Å; T569-E572 PolarHBondContact OG1-OE2 3.27Å; Y570-E572 VanDerWaalsContact C-N 3.34Å; E572-R574 VanDerWaalsContact C-N 3.31Å; E572-R574 PolarHBondContact O-N 3.45Å; E572-C575 WeakPolarHBondContact O-CB 3.32Å; E572-C575 PolarHBondContact O-N 3.46Å; E572-C575 VanDerWaalsContact O-N 3.15Å; E572-A576 PolarHBondContact O-N 3.45Å
573M98.4Very high97.2Very high0 Ų019.4 Ų19.40%09%0.086CC..Hα-helixtrans-54.6-50.3169.7-65.6172.3-168.800110.6Y144 V148 L568 T569 Y570 C575 A576 Y577 L595Y144-M573 HydrophobicContact CD1-CE 4.39Å; Y144-M573 HydrophobicContact CE1-CE 4.19Å; Y144-M573 HydrophobicContact CE1-SD 4.25Å; V148-M573 HydrophobicContact CG1-CE 4.11Å; V148-M573 HydrophobicContact CG1-CG 4.04Å; V148-M573 HydrophobicContact CG1-SD 4.22Å; V148-M573 HydrophobicContact CG2-CB 4.03Å; V148-M573 HydrophobicContact CG2-CG 3.87Å; V148-M573 HydrophobicContact CG2-SD 4.42Å; L568-M573 HydrophobicContact CD1-CG 4.47Å; L568-M573 HydrophobicContact CD2-CE 3.82Å; L568-M573 HydrophobicContact CD2-CG 3.63Å; L568-M573 HydrophobicContact CG-CE 3.95Å; L568-M573 HydrophobicContact CG-CG 3.9Å; T569-M573 WeakPolarHBondContact O-CG 3.48Å; T569-M573 PolarHBondContact O-N 2.76Å; Y570-M573 HydrophobicContact CD1-CE 4.07Å; Y570-M573 HydrophobicContact CD1-SD 3.53Å; Y570-M573 VanDerWaalsContact CD1-SD 3.53Å; Y570-M573 HydrophobicContact CE1-CE 4.13Å; Y570-M573 HydrophobicContact CE1-SD 3.98Å; Y570-M573 HydrophobicContact CG-SD 4.32Å; M573-C575 VanDerWaalsContact C-N 3.26Å; M573-C575 PolarHBondContact O-N 3.12Å; M573-A576 WeakPolarHBondContact O-CB 3.18Å; M573-A576 PolarHBondContact O-N 2.77Å; M573-Y577 VanDerWaalsContact O-CD2 3.29Å; M573-Y577 WeakPolarHBondContact O-CD2 3.14Å; M573-Y577 PolarHBondContact O-N 3.11Å; M573-L595 HydrophobicContact CE-CB 4.33Å; M573-L595 HydrophobicContact CE-CD1 3.85Å; M573-L595 HydrophobicContact CE-CD2 3.26Å; M573-L595 HydrophobicContact CE-CG 3.97Å
574R98.3Very high96.3Very high17 Ų1727.8 Ų27.86%0.06412%0.122CC..Hα-helixtrans-52.9-44176.1179.3-171.774.1-134.5-4.1111.8E250 T252 H297 Y570 S571 E572 A576 Y577 E578E250-R574 IonicContact OE1-CZ 3.08Å; E250-R574 IonicContact OE1-NH1 3.38Å; E250-R574 PolarHBondContact OE1-NH1 2.78Å; E250-R574 IonicContact OE1-NH2 3.6Å; E250-R574 PolarHBondContact OE1-NH2 2.59Å; E250-R574 IonicContact OE2-CZ 3.91Å; E250-R574 IonicContact OE2-NH1 3.4Å; E250-R574 PolarHBondContact OE2-NH1 2.82Å; T252-R574 PolarHBondContact OG1-NH1 3.48Å; H297-R574 HydrophobicContact CB-CG 3.97Å; Y570-R574 PolarHBondContact O-N 2.94Å; Y570-R574 VanDerWaalsContact O-N 3.11Å; S571-R574 WeakPolarHBondContact O-CB 3.24Å; E572-R574 VanDerWaalsContact C-N 3.31Å; E572-R574 PolarHBondContact O-N 3.45Å; R574-A576 VanDerWaalsContact C-N 3.29Å; R574-A576 PolarHBondContact O-N 2.76Å; R574-Y577 PolarHBondContact O-N 2.8Å; R574-Y577 VanDerWaalsContact O-N 3.11Å; R574-E578 WeakPolarHBondContact CD-OE1 3.48Å; R574-E578 HydrophobicContact CG-CG 4.17Å; R574-E578 VanDerWaalsContact CG-OE1 3.3Å; R574-E578 WeakPolarHBondContact CG-OE1 3.29Å; R574-E578 IonicContact NE-OE1 2.77Å; R574-E578 PolarHBondContact NE-OE1 3.45Å; R574-E578 WeakPolarHBondContact O-CG 3.35Å; R574-E578 PolarHBondContact O-N 3.25Å
575C97.9Very high95.9Very high2 Ų230.9 Ų30.91%0.01415%0.148CC..Hα-helixtrans-58.5-38.4179-67.50000112.6K487 S571 E572 M573 Y577 E578 V579K487-C575 HydrophobicContact CB-CB 4.09Å; K487-C575 HydrophobicContact CG-CB 4.3Å; S571-C575 PolarHBondContact O-N 3.49Å; S571-C575 PolarHBondContact O-SG 2.94Å; E572-C575 WeakPolarHBondContact O-CB 3.32Å; E572-C575 PolarHBondContact O-N 3.46Å; E572-C575 VanDerWaalsContact O-N 3.15Å; M573-C575 VanDerWaalsContact C-N 3.26Å; M573-C575 PolarHBondContact O-N 3.12Å; C575-Y577 VanDerWaalsContact C-N 3.33Å; C575-Y577 PolarHBondContact O-N 2.99Å; C575-E578 PolarHBondContact O-N 3.43Å; C575-V579 WeakPolarHBondContact O-CB 3.24Å; C575-V579 VanDerWaalsContact O-CG2 3.3Å; C575-V579 WeakPolarHBondContact O-CG2 3.42Å; C575-V579 PolarHBondContact O-N 2.99Å
576A97.7Very high95.7Very high2 Ų231.5 Ų31.52%0.01715%0.15CC..Hα-helixtrans-60.9-41.7175.500000112Q147 E572 M573 R574 T580 V588 I590Q147-A576 PolarHBondContact NE2-O 3.22Å; E572-A576 PolarHBondContact O-N 3.45Å; M573-A576 WeakPolarHBondContact O-CB 3.18Å; M573-A576 PolarHBondContact O-N 2.77Å; R574-A576 VanDerWaalsContact C-N 3.29Å; R574-A576 PolarHBondContact O-N 2.76Å; A576-T580 VanDerWaalsContact O-CB 3.27Å; A576-T580 WeakPolarHBondContact O-CB 3.5Å; A576-T580 PolarHBondContact O-N 2.89Å; A576-T580 PolarHBondContact O-OG1 3.49Å; A576-V588 HydrophobicContact CB-CB 4.16Å; A576-V588 HydrophobicContact CB-CG1 3.77Å; A576-I590 HydrophobicContact CB-CB 4.21Å; A576-I590 HydrophobicContact CB-CG2 3.67Å
577Y97.3Very high95.6Very high27 Ų2731.9 Ų31.911%0.10615%0.152CC..Hα-helixtrans-67.9-42.9175.4-72.2-80.1000113E145 S146 Q147 V148 R296 H297 M573 R574 C575 R581E145-Y577 WeakPolarHBondContact CB-OH 3.45Å; E145-Y577 VanDerWaalsContact OE2-CE2 3.3Å; E145-Y577 WeakPolarHBondContact OE2-CE2 3.33Å; E145-Y577 PolarHBondContact OE2-OH 2.9Å; S146-Y577 PolarHBondContact N-OH 3.11Å; S146-Y577 VanDerWaalsContact OG-CE1 3.29Å; S146-Y577 WeakPolarHBondContact OG-CE1 3.38Å; S146-Y577 PolarHBondContact OG-OH 3.46Å; Q147-Y577 HydrophobicContact CB-CE1 3.87Å; Q147-Y577 HydrophobicContact CB-CE2 4.22Å; Q147-Y577 HydrophobicContact CG-CD1 4.28Å; Q147-Y577 HydrophobicContact CG-CE1 3.74Å; Q147-Y577 PolarHBondContact N-OH 3.41Å; Q147-Y577 VanDerWaalsContact OE1-CE1 3.26Å; V148-Y577 HydrophobicContact CG2-CE2 3.99Å; R296-Y577 VanDerWaalsContact NH2-CE1 3.26Å; R296-Y577 PolarHBondContact NH2-OH 2.87Å; H297-Y577 AromaticContact CD2-CD2 3.84Å; H297-Y577 AromaticContact CD2-CG 3.91Å; H297-Y577 AromaticContact CE1-CD2 3.94Å; H297-Y577 AromaticContact NE2-CD2 3.07Å; H297-Y577 WeakPolarHBondContact NE2-CD2 3.4Å; H297-Y577 AromaticContact NE2-CE2 3.53Å; H297-Y577 AromaticContact NE2-CG 3.59Å; M573-Y577 VanDerWaalsContact O-CD2 3.29Å; M573-Y577 WeakPolarHBondContact O-CD2 3.14Å; M573-Y577 PolarHBondContact O-N 3.11Å; R574-Y577 PolarHBondContact O-N 2.8Å; R574-Y577 VanDerWaalsContact O-N 3.11Å; C575-Y577 VanDerWaalsContact C-N 3.33Å; C575-Y577 PolarHBondContact O-N 2.99Å; Y577-R581 VanDerWaalsContact O-CB 3.31Å; Y577-R581 WeakPolarHBondContact O-CB 3.34Å; Y577-R581 PolarHBondContact O-N 3.09Å
578E96.3Very high95.6Very high34 Ų3432 Ų3216%0.15915%0.152CC..Hα-helixtrans-59-51.1176.7-72175.8-174.800111K487 R574 C575 T580 R581 D582K487-E578 VanDerWaalsContact CE-OE2 3.28Å; K487-E578 WeakPolarHBondContact CE-OE2 3.28Å; K487-E578 IonicContact NZ-OE2 2.86Å; K487-E578 PolarHBondContact NZ-OE2 2.99Å; R574-E578 WeakPolarHBondContact CD-OE1 3.48Å; R574-E578 HydrophobicContact CG-CG 4.17Å; R574-E578 VanDerWaalsContact CG-OE1 3.3Å; R574-E578 WeakPolarHBondContact CG-OE1 3.29Å; R574-E578 IonicContact NE-OE1 2.77Å; R574-E578 PolarHBondContact NE-OE1 3.45Å; R574-E578 WeakPolarHBondContact O-CG 3.35Å; R574-E578 PolarHBondContact O-N 3.25Å; C575-E578 PolarHBondContact O-N 3.43Å; E578-T580 PolarHBondContact O-N 2.92Å; E578-R581 WeakPolarHBondContact O-CB 3.3Å; E578-R581 PolarHBondContact O-N 3.14Å; E578-D582 WeakPolarHBondContact O-CB 3.41Å; E578-D582 PolarHBondContact O-N 3.12Å
579V96.4Very high95.5Very high1 Ų132.3 Ų32.31%0.00615%0.154CC..Hα-helixtrans-66.1-41.8-178.3178.80000111.2K487 V490 E491 I494 C575 R581 D582 K583 V588K487-V579 HydrophobicContact CG-CG2 3.84Å; V490-V579 HydrophobicContact CG1-CB 4.1Å; V490-V579 HydrophobicContact CG1-CG1 3.73Å; V490-V579 HydrophobicContact CG1-CG2 4.18Å; E491-V579 HydrophobicContact CG-CG1 4.34Å; E491-V579 HydrophobicContact CG-CG2 3.97Å; I494-V579 HydrophobicContact CD1-CG1 3.59Å; C575-V579 WeakPolarHBondContact O-CB 3.24Å; C575-V579 VanDerWaalsContact O-CG2 3.3Å; C575-V579 WeakPolarHBondContact O-CG2 3.42Å; C575-V579 PolarHBondContact O-N 2.99Å; V579-R581 VanDerWaalsContact C-N 3.29Å; V579-R581 PolarHBondContact O-N 3.48Å; V579-D582 PolarHBondContact O-N 3.04Å; V579-K583 HydrophobicContact CG1-CB 4.42Å; V579-K583 HydrophobicContact CG1-CG 3.89Å; V579-K583 WeakPolarHBondContact O-CA 3.42Å; V579-K583 VanDerWaalsContact O-CB 3.28Å; V579-K583 WeakPolarHBondContact O-CB 3.4Å; V579-K583 PolarHBondContact O-N 3.41Å; V579-V588 HydrophobicContact CB-CG2 4.19Å; V579-V588 HydrophobicContact CG1-CG2 3.92Å
580T95.8Very high95.5Very high1 Ų132 Ų321%0.00615%0.152CC..Hα-helixtrans-63-32.2175-69.30000113.2Q147 R555 A576 E578 V588Q147-T580 VanDerWaalsContact NE2-CB 3.31Å; Q147-T580 PolarHBondContact NE2-OG1 3.1Å; R555-T580 PolarHBondContact NH1-O 2.9Å; A576-T580 VanDerWaalsContact O-CB 3.27Å; A576-T580 WeakPolarHBondContact O-CB 3.5Å; A576-T580 PolarHBondContact O-N 2.89Å; A576-T580 PolarHBondContact O-OG1 3.49Å; E578-T580 PolarHBondContact O-N 2.92Å; T580-V588 PolarHBondContact OG1-N 2.85Å
581R94.2Very high95.5Very high139 Ų13931.1 Ų31.153%0.52515%0.149SC..Hα-helixtrans-71.6-43.3174.8178.9-169.463.3-131.6-6.3111.1Y577 E578 V579 K584Y577-R581 VanDerWaalsContact O-CB 3.31Å; Y577-R581 WeakPolarHBondContact O-CB 3.34Å; Y577-R581 PolarHBondContact O-N 3.09Å; E578-R581 WeakPolarHBondContact O-CB 3.3Å; E578-R581 PolarHBondContact O-N 3.14Å; V579-R581 VanDerWaalsContact C-N 3.29Å; V579-R581 PolarHBondContact O-N 3.48Å; R581-K584 WeakPolarHBondContact O-CG 3.3Å
582D93.2Very high95.5Very high89 Ų8931 Ų3148%0.47615%0.147SC..Hα-helixtrans-81.6-39.2-172.1-60.5-12.3000111.2E578 V579 K584E578-D582 WeakPolarHBondContact O-CB 3.41Å; E578-D582 PolarHBondContact O-N 3.12Å; V579-D582 PolarHBondContact O-N 3.04Å; D582-K584 PolarHBondContact O-N 3.31Å
583K91.2Very high95.5Very high65 Ų6531 Ų3128%0.28315%0.147SC..SBendtrans-96.556.9176.4-55.1-61.1-170-179.70111.4I494 E495 V579 A585 W586I494-K583 HydrophobicContact CD1-CB 4.42Å; I494-K583 HydrophobicContact CD1-CG 4.41Å; I494-K583 HydrophobicContact CG2-CB 4.33Å; I494-K583 HydrophobicContact CG2-CD 4.45Å; I494-K583 HydrophobicContact CG2-CG 4.19Å; E495-K583 WeakPolarHBondContact OE1-CE 3.33Å; E495-K583 IonicContact OE1-NZ 2.91Å; E495-K583 PolarHBondContact OE1-NZ 3.13Å; V579-K583 HydrophobicContact CG1-CB 4.42Å; V579-K583 HydrophobicContact CG1-CG 3.89Å; V579-K583 WeakPolarHBondContact O-CA 3.42Å; V579-K583 VanDerWaalsContact O-CB 3.28Å; V579-K583 WeakPolarHBondContact O-CB 3.4Å; V579-K583 PolarHBondContact O-N 3.41Å; K583-A585 PolarHBondContact O-N 3.27Å; K583-W586 PolarHBondContact O-N 3.05Å
584K81Confident95.4Very high177 Ų17731 Ų3177%0.7715%0.148SC*.THydrogen-bonded Turntrans-41.8-25.8-171.1-63.5-178.4-179.5178.60118.3R581 D582R581-K584 WeakPolarHBondContact O-CG 3.3Å; D582-K584 PolarHBondContact O-N 3.31Å
585A90.3Very high95.3Very high64 Ų6431 Ų3153%0.52915%0.149SC..THydrogen-bonded Turntrans-76.1-24.9176.900000113.3G557 P558 K583G557-A585 WeakPolarHBondContact CA-O 3.49Å; P558-A585 VanDerWaalsContact CD-O 3.23Å; P558-A585 WeakPolarHBondContact CD-O 3.16Å; K583-A585 PolarHBondContact O-N 3.27Å
586W94.4Very high95.3Very high15 Ų1531 Ų316%0.05715%0.149CC..  trans-105.8152.5-179.1-73.882.9000111.3R231 I494 P558 L560 K583R231-W586 HydrophobicContact CB-CH2 4.37Å; R231-W586 WeakPolarHBondContact O-CH2 3.33Å; I494-W586 HydrophobicContact CB-CD2 4.44Å; I494-W586 HydrophobicContact CB-CG 4.47Å; I494-W586 HydrophobicContact CD1-CB 3.89Å; I494-W586 HydrophobicContact CD1-CG 4.19Å; I494-W586 HydrophobicContact CG1-CB 4.21Å; I494-W586 HydrophobicContact CG1-CD2 3.88Å; I494-W586 HydrophobicContact CG1-CE3 4.07Å; I494-W586 HydrophobicContact CG1-CG 3.97Å; I494-W586 HydrophobicContact CG2-CB 4.44Å; I494-W586 HydrophobicContact CG2-CD2 4.17Å; I494-W586 HydrophobicContact CG2-CG 3.82Å; P558-W586 HydrophobicContact CB-CD2 3.88Å; P558-W586 HydrophobicContact CB-CE3 3.64Å; P558-W586 HydrophobicContact CB-CH2 3.88Å; P558-W586 HydrophobicContact CB-CZ2 4.12Å; P558-W586 HydrophobicContact CB-CZ3 3.64Å; P558-W586 HydrophobicContact CG-CD2 3.44Å; P558-W586 VanDerWaalsContact CG-CD2 3.44Å; P558-W586 HydrophobicContact CG-CE3 3.75Å; P558-W586 HydrophobicContact CG-CG 3.85Å; P558-W586 HydrophobicContact CG-CH2 4.27Å; P558-W586 HydrophobicContact CG-CZ2 4Å; P558-W586 HydrophobicContact CG-CZ3 4.15Å; P558-W586 WeakPolarHBondContact O-CA 3.39Å; L560-W586 HydrophobicContact CB-CE3 4.34Å; L560-W586 HydrophobicContact CB-CZ3 4.49Å; K583-W586 PolarHBondContact O-N 3.05Å
587E95.3Very high95.3Very high8 Ų832.4 Ų32.44%0.03716%0.157CC..EExtended strand (participates in β ladder)trans-123.3121.7171.7177.5165.7-136.900109.6P558 R559 L560 I589P558-E587 PolarHBondContact O-N 3.25Å; R559-E587 CarbonylContact C-O 3.59Å; R559-E587 VanDerWaalsContact CA-O 3.25Å; R559-E587 WeakPolarHBondContact CA-O 3.23Å; R559-E587 HydrophobicContact CG-CB 4.29Å; R559-E587 IonicContact CZ-OE2 3.55Å; R559-E587 IonicContact NE-OE2 3.44Å; R559-E587 PolarHBondContact NE-OE2 3.05Å; R559-E587 IonicContact NH1-OE1 2.8Å; R559-E587 IonicContact NH1-OE2 3.89Å; R559-E587 PolarHBondContact NH1-OE2 2.76Å; R559-E587 IonicContact NH2-OE1 3.78Å; R559-E587 IonicContact NH2-OE2 3.13Å; R559-E587 PolarHBondContact NH2-OE2 3.29Å; L560-E587 PolarHBondContact N-O 2.96Å; E587-I589 HydrophobicContact CG-CD1 3.79Å; E587-I589 HydrophobicContact CG-CG1 4.28Å
588V97.3Very high95.3Very high1 Ų131.8 Ų31.81%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-94.7119.2178.2-175.60000109Q147 V490 I494 L560 A576 V579 T580Q147-V588 PolarHBondContact NE2-O 3.17Å; V490-V588 HydrophobicContact CG1-CB 4.35Å; V490-V588 HydrophobicContact CG1-CG1 3.84Å; V490-V588 HydrophobicContact CG1-CG2 3.54Å; I494-V588 HydrophobicContact CD1-CG2 3.91Å; L560-V588 CarbonylContact O-C 3.55Å; L560-V588 WeakPolarHBondContact O-CA 3.41Å; A576-V588 HydrophobicContact CB-CB 4.16Å; A576-V588 HydrophobicContact CB-CG1 3.77Å; V579-V588 HydrophobicContact CB-CG2 4.19Å; V579-V588 HydrophobicContact CG1-CG2 3.92Å; T580-V588 PolarHBondContact OG1-N 2.85Å
589I97.3Very high95.4Very high7 Ų735 Ų354%0.03617%0.171CC..EExtended strand (participates in β ladder)trans-112.4123.8174.7-55.4-56.9000107.7D7 Q147 Y149 L187 L560 I561 V562 E587D7-I589 WeakPolarHBondContact OD2-CD1 3.27Å; Q147-I589 HydrophobicContact CB-CD1 4.08Å; Q147-I589 HydrophobicContact CG-CD1 4.06Å; Q147-I589 WeakPolarHBondContact O-CA 3.5Å; Y149-I589 HydrophobicContact CD1-CG2 3.74Å; Y149-I589 HydrophobicContact CE1-CG2 3.95Å; L187-I589 HydrophobicContact CD1-CG1 4.47Å; L560-I589 PolarHBondContact O-N 2.83Å; I561-I589 CarbonylContact C-O 3.51Å; I561-I589 VanDerWaalsContact CA-O 3.28Å; I561-I589 WeakPolarHBondContact CA-O 3.4Å; V562-I589 PolarHBondContact N-O 3.12Å; E587-I589 HydrophobicContact CG-CD1 3.79Å; E587-I589 HydrophobicContact CG-CG1 4.28Å
590I98.5Very high95.3Very high1 Ų139 Ų391%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-120.2143.1-174-172.2158.1000111.5Q147 V148 Y149 L486 V562 I564 L568 A576Q147-I590 PolarHBondContact O-N 3.17Å; V148-I590 CarbonylContact C-O 3.51Å; V148-I590 VanDerWaalsContact CA-O 3.22Å; V148-I590 WeakPolarHBondContact CA-O 3.24Å; V148-I590 HydrophobicContact CG2-CG2 4Å; Y149-I590 VanDerWaalsContact CD1-O 3.22Å; Y149-I590 WeakPolarHBondContact CD1-O 3.4Å; Y149-I590 PolarHBondContact N-O 3.37Å; L486-I590 HydrophobicContact CD1-CD1 4.29Å; L486-I590 HydrophobicContact CD2-CD1 3.24Å; L486-I590 HydrophobicContact CG-CD1 4.35Å; V562-I590 HydrophobicContact CB-CD1 4.42Å; V562-I590 HydrophobicContact CB-CG1 4.16Å; V562-I590 HydrophobicContact CG1-CD1 4.39Å; V562-I590 HydrophobicContact CG1-CG1 4.43Å; V562-I590 CarbonylContact O-C 3.46Å; V562-I590 WeakPolarHBondContact O-CA 3.38Å; I564-I590 HydrophobicContact CD1-CD1 4.23Å; L568-I590 HydrophobicContact CD1-CD1 3.47Å; L568-I590 VanDerWaalsContact CD1-CD1 3.47Å; L568-I590 HydrophobicContact CD1-CG1 3.75Å; L568-I590 HydrophobicContact CD2-CG1 4.02Å; L568-I590 HydrophobicContact CD2-CG2 4.11Å; A576-I590 HydrophobicContact CB-CB 4.21Å; A576-I590 HydrophobicContact CB-CG2 3.67Å
591G98.4Very high95.4Very high0 Ų038.9 Ų38.90%019%0.186CC..EExtended strand (participates in β ladder)trans-158.4178.5173.200000113.8Y149 V562 F563 I564Y149-G591 VanDerWaalsContact CE1-N 3.25Å; Y149-G591 WeakPolarHBondContact O-CA 3.47Å; V562-G591 PolarHBondContact O-N 2.67Å; F563-G591 WeakPolarHBondContact CA-O 2.88Å; I564-G591 PolarHBondContact N-O 2.62Å
592S98.6Very high95.6Very high0 Ų032.7 Ų32.70%016%0.163CC..EExtended strand (participates in β ladder)trans-159.9170.8-175.7-177.90000110.5Y149 T150 L151 F563 I564 G567 L568 Q594Y149-S592 PolarHBondContact O-N 3.01Å; T150-S592 WeakPolarHBondContact CA-O 3.45Å; L151-S592 PolarHBondContact N-O 3.33Å; F563-S592 VanDerWaalsContact CE2-C 3.42Å; F563-S592 VanDerWaalsContact CE2-CA 3.47Å; I564-S592 VanDerWaalsContact O-CA 3.28Å; I564-S592 WeakPolarHBondContact O-CA 3.37Å; I564-S592 WeakPolarHBondContact O-CB 3.3Å; I564-S592 PolarHBondContact O-OG 3.36Å; G567-S592 WeakPolarHBondContact CA-OG 3.37Å; G567-S592 PolarHBondContact N-OG 3.26Å; L568-S592 PolarHBondContact N-OG 3.01Å; S592-Q594 WeakPolarHBondContact CB-O 3.31Å; S592-Q594 PolarHBondContact O-N 2.81Å; S592-Q594 PolarHBondContact OG-O 3.01Å
593D97.5Very high95.7Very high0 Ų032.3 Ų32.30%016%0.158CC..SBendtrans-61.4-31168.161.6-64.1000112.2D152 S153 T156 I176 G566 G567D152-D593 PolarHBondContact N-O 3.24Å; S153-D593 PolarHBondContact N-O 3.34Å; T156-D593 HydrophobicContact CG2-CB 4.01Å; I176-D593 HydrophobicContact CD1-CB 4.43Å; G566-D593 WeakPolarHBondContact CA-OD1 3.04Å; G566-D593 PolarHBondContact N-OD1 2.86Å; G567-D593 PolarHBondContact N-OD1 2.99Å
594Q96.5Very high95.9Very high1 Ų129.8 Ų29.81%0.00515%0.148CC..SBendtrans-153.9166.2179.769.6-168.3-71.300112.6P154 G567 L568 S592 I596 R600 N604P154-Q594 HydrophobicContact CB-CB 4.18Å; P154-Q594 PolarHBondContact O-NE2 3.28Å; P154-Q594 VanDerWaalsContact O-NE2 3.14Å; G567-Q594 CarbonylContact C-O 3.57Å; G567-Q594 VanDerWaalsContact CA-O 3.29Å; G567-Q594 WeakPolarHBondContact CA-O 3.42Å; L568-Q594 PolarHBondContact N-O 3.37Å; S592-Q594 WeakPolarHBondContact CB-O 3.31Å; S592-Q594 PolarHBondContact O-N 2.81Å; S592-Q594 PolarHBondContact OG-O 3.01Å; Q594-I596 HydrophobicContact CG-CG2 3.89Å; Q594-R600 VanDerWaalsContact OE1-NH2 3.15Å; Q594-N604 PolarHBondContact OE1-ND2 3.46Å
595L97.1Very high96.7Very high17 Ų1721.4 Ų21.49%0.08911%0.111CC..EExtended strand (participates in β ladder)trans-96.2140166.6-51.3-175.4000109Y144 L568 M573 R600Y144-L595 HydrophobicContact CD1-CD1 3.52Å; Y144-L595 HydrophobicContact CD2-CD1 3.84Å; Y144-L595 HydrophobicContact CE1-CD1 3.29Å; Y144-L595 HydrophobicContact CE2-CD1 3.61Å; Y144-L595 HydrophobicContact CG-CD1 3.8Å; L568-L595 HydrophobicContact CB-CD2 4.25Å; L568-L595 HydrophobicContact CD2-CD2 4.32Å; M573-L595 HydrophobicContact CE-CB 4.33Å; M573-L595 HydrophobicContact CE-CD1 3.85Å; M573-L595 HydrophobicContact CE-CD2 3.26Å; M573-L595 HydrophobicContact CE-CG 3.97Å; L595-R600 WeakPolarHBondContact O-CD 3.1Å; L595-R600 PolarHBondContact O-NE 3.49Å; L595-R600 PolarHBondContact O-NH1 3.48Å
596I97.6Very high96.9Very high2 Ų220 Ų201%0.0110%0.1CC..EExtended strand (participates in β ladder)trans-124.1137.3-177.956.5172.4000112P246 L568 T569 Q594 F601P246-I596 HydrophobicContact CB-CD1 3.89Å; L568-I596 WeakPolarHBondContact O-CG1 3.44Å; L568-I596 PolarHBondContact O-N 3.37Å; T569-I596 HydrophobicContact CG2-CD1 3.92Å; T569-I596 HydrophobicContact CG2-CG1 3.93Å; Q594-I596 HydrophobicContact CG-CG2 3.89Å; I596-F601 HydrophobicContact CD1-CB 4.3Å; I596-F601 HydrophobicContact CD1-CD2 3.97Å; I596-F601 HydrophobicContact CD1-CG 4.36Å
597T97.7Very high96.8Very high32 Ų3224.3 Ų24.320%0.19612%0.119CC..  trans-98.2163.8159.760.50000108.5Y258 Y570 H599 R600 F601Y258-T597 VanDerWaalsContact O-CG2 3.31Å; Y258-T597 WeakPolarHBondContact O-CG2 2.99Å; Y570-T597 HydrophobicContact CE2-CG2 4.19Å; T597-H599 PolarHBondContact O-N 3.42Å; T597-R600 PolarHBondContact O-N 2.86Å; T597-R600 PolarHBondContact OG1-N 3.2Å; T597-F601 WeakPolarHBondContact O-CB 3.38Å; T597-F601 PolarHBondContact O-N 3.12Å
598P97.8Very high96.8Very high14 Ų1423.9 Ų23.99%0.09112%0.117CC..Hα-helixtrans-54-42.1176.4-28.938.1000113P246 D259 F601 L602P246-P598 VanDerWaalsContact O-CA 3.27Å; P246-P598 WeakPolarHBondContact O-CA 3.38Å; P246-P598 WeakPolarHBondContact O-CB 3.31Å; P246-P598 WeakPolarHBondContact O-CG 3.27Å; D259-P598 HydrophobicContact CB-CG 4.46Å; D259-P598 WeakPolarHBondContact OD1-CD 3.4Å; D259-P598 WeakPolarHBondContact OD1-CG 3.28Å; P598-F601 PolarHBondContact O-N 3.42Å; P598-L602 WeakPolarHBondContact O-CG 3.47Å; P598-L602 PolarHBondContact O-N 3.17Å
599H96.5Very high96.3Very high100 Ų10026.1 Ų26.146%0.46313%0.133SC..Hα-helixtrans-59.7-53.2175.8-171.670.2000112.2T597 F601 L602 E603T597-H599 PolarHBondContact O-N 3.42Å; H599-F601 VanDerWaalsContact C-N 3.25Å; H599-F601 PolarHBondContact O-N 2.86Å; H599-L602 PolarHBondContact O-N 3.13Å; H599-L602 VanDerWaalsContact O-N 3.11Å; H599-E603 IonicContact CD2-OE1 3.32Å; H599-E603 IonicContact NE2-OE1 3.54Å; H599-E603 PolarHBondContact NE2-OE1 3.21Å; H599-E603 WeakPolarHBondContact O-CG 3.16Å; H599-E603 PolarHBondContact O-N 2.67Å
600R96.1Very high95.4Very high85 Ų8527.6 Ų27.632%0.32115%0.146SC..Hα-helixtrans-61.4-34.2179.3-175.6175175.8163.75.6112.5P154 Q594 L595 T597 E603 N604P154-R600 VanDerWaalsContact CB-NH2 3.33Å; Q594-R600 VanDerWaalsContact OE1-NH2 3.15Å; L595-R600 WeakPolarHBondContact O-CD 3.1Å; L595-R600 PolarHBondContact O-NE 3.49Å; L595-R600 PolarHBondContact O-NH1 3.48Å; T597-R600 PolarHBondContact O-N 2.86Å; T597-R600 PolarHBondContact OG1-N 3.2Å; R600-E603 PolarHBondContact O-N 2.78Å; R600-N604 WeakPolarHBondContact O-CB 3.02Å; R600-N604 PolarHBondContact O-N 3.06Å
601F97.9Very high94Very high0 Ų032.3 Ų32.30%018%0.177CC..Hα-helixtrans-65-44.2175.3179.6-113.1000111.8F157 R239 V243 P246 L247 L450 I596 T597 P598 H599 N604 L605F157-F601 HydrophobicContact CE2-CD2 4.44Å; F157-F601 HydrophobicContact CE2-CE2 4.22Å; F157-F601 HydrophobicContact CZ-CE2 4.45Å; R239-F601 HydrophobicContact CG-CE2 3.81Å; V243-F601 HydrophobicContact CB-CZ 4.47Å; V243-F601 HydrophobicContact CG1-CE1 3.64Å; V243-F601 HydrophobicContact CG1-CZ 3.63Å; V243-F601 HydrophobicContact CG2-CZ 4.15Å; P246-F601 HydrophobicContact CB-CB 4.35Å; P246-F601 HydrophobicContact CB-CD1 3.88Å; P246-F601 HydrophobicContact CB-CD2 4.35Å; P246-F601 HydrophobicContact CB-CE1 4.28Å; P246-F601 HydrophobicContact CB-CG 3.92Å; P246-F601 HydrophobicContact CG-CD1 4.08Å; P246-F601 HydrophobicContact CG-CE1 3.96Å; P246-F601 HydrophobicContact CG-CE2 4.47Å; P246-F601 HydrophobicContact CG-CG 4.4Å; P246-F601 HydrophobicContact CG-CZ 4.17Å; L247-F601 HydrophobicContact CD2-CD1 4.09Å; L247-F601 HydrophobicContact CD2-CE1 4.15Å; L247-F601 HydrophobicContact CG-CE1 4.43Å; L450-F601 HydrophobicContact CD2-CE2 4.07Å; L450-F601 HydrophobicContact CD2-CZ 4.07Å; I596-F601 HydrophobicContact CD1-CB 4.3Å; I596-F601 HydrophobicContact CD1-CD2 3.97Å; I596-F601 HydrophobicContact CD1-CG 4.36Å; T597-F601 WeakPolarHBondContact O-CB 3.38Å; T597-F601 PolarHBondContact O-N 3.12Å; P598-F601 PolarHBondContact O-N 3.42Å; H599-F601 VanDerWaalsContact C-N 3.25Å; H599-F601 PolarHBondContact O-N 2.86Å; F601-N604 WeakPolarHBondContact O-CB 3.46Å; F601-N604 PolarHBondContact O-N 3.19Å; F601-L605 HydrophobicContact CD1-CD1 4.2Å; F601-L605 HydrophobicContact CE1-CD1 3.65Å; F601-L605 HydrophobicContact CE1-CG 4.39Å; F601-L605 HydrophobicContact CE2-CG 4.43Å; F601-L605 HydrophobicContact CZ-CD1 3.83Å; F601-L605 HydrophobicContact CZ-CD2 4.37Å; F601-L605 HydrophobicContact CZ-CG 4.2Å; F601-L605 WeakPolarHBondContact O-CG 3.47Å; F601-L605 PolarHBondContact O-N 2.8Å
602L97.1Very high92.2Very high9 Ų936.8 Ų36.85%0.04720%0.2CC..Hα-helixtrans-64.8-40.5174.4-66.9178.7000112.2L247 C406 I409 R410 M413 T443 P598 H599 N604 L605 A606L247-L602 HydrophobicContact CD2-CD2 4Å; C406-L602 VanDerWaalsContact SG-CD1 3.52Å; I409-L602 HydrophobicContact CB-CD1 4.39Å; I409-L602 HydrophobicContact CG2-CD1 4.03Å; I409-L602 HydrophobicContact CG2-CD2 3.89Å; R410-L602 HydrophobicContact CG-CD1 3.96Å; M413-L602 HydrophobicContact CE-CD2 4.5Å; M413-L602 HydrophobicContact SD-CD2 3.45Å; M413-L602 WeakPolarHBondContact SD-CD2 3.23Å; T443-L602 HydrophobicContact CG2-CB 4.24Å; T443-L602 HydrophobicContact CG2-CD2 4.24Å; T443-L602 WeakPolarHBondContact CG2-O 3.11Å; P598-L602 WeakPolarHBondContact O-CG 3.47Å; P598-L602 PolarHBondContact O-N 3.17Å; H599-L602 PolarHBondContact O-N 3.13Å; H599-L602 VanDerWaalsContact O-N 3.11Å; L602-N604 VanDerWaalsContact C-N 3.3Å; L602-N604 PolarHBondContact O-N 2.66Å; L602-L605 HydrophobicContact CD2-CD1 4.37Å; L602-L605 PolarHBondContact O-N 3.45Å; L602-A606 WeakPolarHBondContact O-CB 3.41Å; L602-A606 PolarHBondContact O-N 3.18Å
603E95.6Very high90.2Very high80 Ų8042.1 Ų42.137%0.37423%0.233SC..Hα-helixtrans-59.5-41.5173.4-69.3-171.4150.500112.5H599 R600 L605 A606 K607H599-E603 IonicContact CD2-OE1 3.32Å; H599-E603 IonicContact NE2-OE1 3.54Å; H599-E603 PolarHBondContact NE2-OE1 3.21Å; H599-E603 WeakPolarHBondContact O-CG 3.16Å; H599-E603 PolarHBondContact O-N 2.67Å; R600-E603 PolarHBondContact O-N 2.78Å; E603-L605 VanDerWaalsContact C-N 3.34Å; E603-A606 PolarHBondContact O-N 3.21Å; E603-K607 WeakPolarHBondContact O-CG 3.29Å; E603-K607 PolarHBondContact O-N 2.78Å
604N96.2Very high87.2Confident13 Ų1350 Ų507%0.0727%0.274CS..Hα-helixtrans-61.2-43.9176.4-85.1-15.7000111F157 Q158 Q594 R600 F601 L602 K607F157-N604 HydrophobicContact CD1-CB 3.75Å; F157-N604 HydrophobicContact CD2-CB 4.17Å; F157-N604 HydrophobicContact CE1-CB 3.6Å; F157-N604 WeakPolarHBondContact CE1-O 3.14Å; F157-N604 HydrophobicContact CE2-CB 4.07Å; F157-N604 HydrophobicContact CG-CB 4.05Å; F157-N604 HydrophobicContact CZ-CB 3.78Å; Q158-N604 PolarHBondContact NE2-O 2.83Å; Q594-N604 PolarHBondContact OE1-ND2 3.46Å; R600-N604 WeakPolarHBondContact O-CB 3.02Å; R600-N604 PolarHBondContact O-N 3.06Å; F601-N604 WeakPolarHBondContact O-CB 3.46Å; F601-N604 PolarHBondContact O-N 3.19Å; L602-N604 VanDerWaalsContact C-N 3.3Å; L602-N604 PolarHBondContact O-N 2.66Å; N604-K607 PolarHBondContact O-N 2.84Å
605L96.9Very high84.2Confident0 Ų057.9 Ų57.90%034%0.34CS..Hα-helixtrans-64.6-44175.8-69.6176.1000112.6F157 M413 T443 N446 A447 L450 F601 L602 E603 K607 L608F157-L605 HydrophobicContact CZ-CD2 4.05Å; M413-L605 HydrophobicContact CE-CD1 3.63Å; M413-L605 HydrophobicContact SD-CD1 4.4Å; T443-L605 HydrophobicContact CG2-CB 4.23Å; N446-L605 WeakPolarHBondContact CB-O 3.34Å; N446-L605 PolarHBondContact ND2-O 2.78Å; A447-L605 HydrophobicContact CB-CD1 4.2Å; A447-L605 HydrophobicContact CB-CD2 4.19Å; L450-L605 HydrophobicContact CD1-CD2 3.76Å; L450-L605 HydrophobicContact CD2-CD2 4.25Å; F601-L605 HydrophobicContact CD1-CD1 4.2Å; F601-L605 HydrophobicContact CE1-CD1 3.65Å; F601-L605 HydrophobicContact CE1-CG 4.39Å; F601-L605 HydrophobicContact CE2-CG 4.43Å; F601-L605 HydrophobicContact CZ-CD1 3.83Å; F601-L605 HydrophobicContact CZ-CD2 4.37Å; F601-L605 HydrophobicContact CZ-CG 4.2Å; F601-L605 WeakPolarHBondContact O-CG 3.47Å; F601-L605 PolarHBondContact O-N 2.8Å; L602-L605 HydrophobicContact CD2-CD1 4.37Å; L602-L605 PolarHBondContact O-N 3.45Å; E603-L605 VanDerWaalsContact C-N 3.34Å; L605-K607 PolarHBondContact O-N 2.97Å; L605-L608 HydrophobicContact CD2-CD1 3.95Å; L605-L608 WeakPolarHBondContact O-CB 3.46Å; L605-L608 PolarHBondContact O-N 3.2Å; L605-L608 VanDerWaalsContact O-N 3.15Å
606A94.5Very high83.5Confident36 Ų3659.9 Ų59.930%0.29835%0.352SS..Hα-helixtrans-56.1-36.817900000112T443 L602 E603 L608T443-A606 HydrophobicContact CG2-CB 4.15Å; T443-A606 WeakPolarHBondContact OG1-CB 3.3Å; L602-A606 WeakPolarHBondContact O-CB 3.41Å; L602-A606 PolarHBondContact O-N 3.18Å; E603-A606 PolarHBondContact O-N 3.21Å; A606-L608 PolarHBondContact O-N 2.83Å
607K93.4Very high82.8Confident104 Ų10462.9 Ų62.945%0.45237%0.37SS..Hα-helixtrans-78.1-13.6-177.9-68.4167.7-171.9165.80114.7Q158 E603 N604 L605 S609 A610Q158-K607 PolarHBondContact OE1-O 3.47Å; E603-K607 WeakPolarHBondContact O-CG 3.29Å; E603-K607 PolarHBondContact O-N 2.78Å; N604-K607 PolarHBondContact O-N 2.84Å; L605-K607 PolarHBondContact O-N 2.97Å; K607-S609 VanDerWaalsContact C-N 3.26Å; K607-S609 PolarHBondContact O-N 3.31Å; K607-A610 WeakPolarHBondContact O-CB 3.35Å; K607-A610 PolarHBondContact O-N 3.2Å; K607-A610 VanDerWaalsContact O-N 3.11Å
608L93.7Very high81.9Confident0 Ų064.7 Ų64.70%038%0.38CS..THydrogen-bonded Turntrans-66.3-23.1-176.2-71.4177.1000114.7F157 N162 N446 Y449 L450 L605 A606F157-L608 HydrophobicContact CD1-CD2 3.94Å; F157-L608 HydrophobicContact CD1-CG 4.47Å; F157-L608 HydrophobicContact CE1-CD1 3.77Å; F157-L608 HydrophobicContact CE1-CD2 3.7Å; F157-L608 HydrophobicContact CE1-CG 3.79Å; F157-L608 HydrophobicContact CZ-CD1 4.33Å; N162-L608 HydrophobicContact CB-CD2 3.97Å; N162-L608 PolarHBondContact ND2-O 3.42Å; N162-L608 PolarHBondContact OD1-O 3.09Å; N446-L608 HydrophobicContact CB-CB 4.04Å; N446-L608 HydrophobicContact CB-CD1 4.27Å; Y449-L608 HydrophobicContact CD2-CB 3.93Å; Y449-L608 HydrophobicContact CD2-CD1 4.14Å; Y449-L608 HydrophobicContact CE2-CB 4.37Å; L450-L608 HydrophobicContact CD1-CD1 3.81Å; L605-L608 HydrophobicContact CD2-CD1 3.95Å; L605-L608 WeakPolarHBondContact O-CB 3.46Å; L605-L608 PolarHBondContact O-N 3.2Å; L605-L608 VanDerWaalsContact O-N 3.15Å; A606-L608 PolarHBondContact O-N 2.83Å
609S87.5Confident81Confident47 Ų4767.6 Ų67.633%0.32940%0.397SS..THydrogen-bonded Turntrans-108.85.5174.663.60000112.9N446 K607N446-S609 WeakPolarHBondContact ND2-CB 3.37Å; N446-S609 PolarHBondContact ND2-N 3.36Å; N446-S609 PolarHBondContact ND2-OG 2.56Å; N446-S609 WeakPolarHBondContact OD1-CB 3.47Å; N446-S609 PolarHBondContact OD1-OG 3.2Å; K607-S609 VanDerWaalsContact C-N 3.26Å; K607-S609 PolarHBondContact O-N 3.31Å
610A78.2Confident80Confident39 Ų3965.6 Ų65.632%0.32239%0.393SS..SBendtrans-66.913417700000108.8K607 I612K607-A610 WeakPolarHBondContact O-CB 3.35Å; K607-A610 PolarHBondContact O-N 3.2Å; K607-A610 VanDerWaalsContact O-N 3.11Å; A610-I612 PolarHBondContact O-N 3.04Å
611P68.7Low79Confident100 Ų10064.3 Ų64.365%0.64940%0.398SS*.  trans-52.1144.4171.5-21.130.5000109.7T613P611-T613 VanDerWaalsContact C-N 3.27Å; P611-T613 PolarHBondContact O-N 2.87Å
612I61.2Low77.6Confident93 Ų9368.9 Ų68.948%0.47743%0.426SS..  trans-62.996.1169.3-55.4174.4000106.4K165 A610 D614K165-I612 HydrophobicContact CG-CD1 4.03Å; K165-I612 HydrophobicContact CG-CG1 3.95Å; A610-I612 PolarHBondContact O-N 3.04Å; I612-D614 PolarHBondContact O-N 3.18Å
613T57.1Low76.1Confident113 Ų11373.5 Ų73.569%0.69346%0.455SS*.  trans-74.5117.8162.152.40000105.6P611 A615P611-T613 VanDerWaalsContact C-N 3.27Å; P611-T613 PolarHBondContact O-N 2.87Å; T613-A615 PolarHBondContact O-N 3.23Å
614D33.4Very low74.5Confident164 Ų16473 Ų7388%0.87746%0.462SS*.  trans-50.6109.7170.4-66.3-38.1000107.9I612I612-D614 PolarHBondContact O-N 3.18Å
615A32.9Very low72.5Confident167 Ų16778.5 Ų78.5100%1.3850%0.498SS*.  trans-107.3017700000109.3T613T613-A615 PolarHBondContact O-N 3.23Å

Retrieved 615 of 615 residues in 673.9 ms (Link to these results)

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