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Phosphatidate cytidylyltransferase, mitochondrial

Catalyzes the conversion of phosphatidic acid (PA) to CDP-diacylglycerol (CDP-DAG), an essential intermediate in the synthesis of phosphatidylglycerol, cardiolipin and phosphatidylinositol.

AlphaFold DB , UniProt , Accession G4V8Y8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 371 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
1M33.9Very low76.2Confident212 Ų21270.2 Ų70.2100%1.04437%0.367SS*.  0-38.80-74.7-179.5-177.300113.6N3 S4M1-N3 PolarHBondContact O-N 3.06Å; M1-S4 PolarHBondContact O-OG 3.33Å
2T50.3Low77.4Confident131 Ų13169.7 Ų69.780%0.80436%0.357SS*.Hα-helixtrans-63-36.6178.8130000113.9L6T2-L6 PolarHBondContact O-N 3.07Å
3N68.1Low78.5Confident89 Ų8964.3 Ų64.348%0.47633%0.329SS..Hα-helixtrans-71.1-42.4-176.3-143.1-6000112.5M1 R5 L6 V7M1-N3 PolarHBondContact O-N 3.06Å; N3-R5 PolarHBondContact O-N 3.17Å; N3-L6 PolarHBondContact O-N 3.17Å; N3-V7 WeakPolarHBondContact O-CB 3.35Å; N3-V7 WeakPolarHBondContact O-CG2 2.92Å; N3-V7 PolarHBondContact O-N 3.43Å
4S76.7Confident79.4Confident83 Ų8360 Ų6058%0.5831%0.307SS*.Hα-helixtrans-64.5-40.6-179.957.90000112.8M1 V7 G8M1-S4 PolarHBondContact O-OG 3.33Å; S4-V7 PolarHBondContact O-N 2.93Å; S4-G8 PolarHBondContact O-N 3.22Å
5R82.2Confident80Confident153 Ų15360.3 Ų60.358%0.57731%0.31SS*.Hα-helixtrans-62.5-47175-170.9176.8179.4-174.8-1110.9N3 G8 K9 D112N3-R5 PolarHBondContact O-N 3.17Å; R5-G8 PolarHBondContact O-N 3.49Å; R5-K9 WeakPolarHBondContact O-CG 3.06Å; R5-K9 PolarHBondContact O-N 3.41Å; R5-D112 IonicContact CZ-OD2 2.69Å; R5-D112 IonicContact NE-OD2 3.55Å; R5-D112 IonicContact NH2-OD2 3.6Å; R5-D112 PolarHBondContact NH2-OD2 3.03Å
6L83.8Confident80.5Confident34 Ų3460.8 Ų60.818%0.17832%0.317CS..Hα-helixtrans-61.3-46.2178179.561.2000111.5T2 N3 G8 K9 L10T2-L6 PolarHBondContact O-N 3.07Å; N3-L6 PolarHBondContact O-N 3.17Å; L6-G8 VanDerWaalsContact C-N 3.32Å; L6-G8 PolarHBondContact O-N 3.49Å; L6-K9 PolarHBondContact O-N 2.97Å; L6-K9 VanDerWaalsContact O-N 3.14Å; L6-L10 HydrophobicContact CD1-CD1 4.25Å; L6-L10 HydrophobicContact CD1-CG 4.11Å; L6-L10 HydrophobicContact CG-CD1 3.96Å; L6-L10 HydrophobicContact CG-CG 4.27Å; L6-L10 VanDerWaalsContact O-CG 3.31Å; L6-L10 WeakPolarHBondContact O-CG 3.35Å; L6-L10 PolarHBondContact O-N 2.96Å
7V87Confident81Confident21 Ų2157.4 Ų57.413%0.12730%0.299CS..Hα-helixtrans-56.7-45.9176.91740000110.9N3 S4 K9 L10 K11 L149 P152 F157N3-V7 WeakPolarHBondContact O-CB 3.35Å; N3-V7 WeakPolarHBondContact O-CG2 2.92Å; N3-V7 PolarHBondContact O-N 3.43Å; S4-V7 PolarHBondContact O-N 2.93Å; V7-K9 VanDerWaalsContact C-N 3.35Å; V7-K9 PolarHBondContact O-N 2.98Å; V7-L10 PolarHBondContact O-N 3.42Å; V7-K11 WeakPolarHBondContact O-CB 3.4Å; V7-K11 PolarHBondContact O-N 3Å; V7-L149 HydrophobicContact CG2-CD1 3.91Å; V7-L149 HydrophobicContact CG2-CD2 3.76Å; V7-L149 HydrophobicContact CG2-CG 4.32Å; V7-P152 HydrophobicContact CG1-CG 4.06Å; V7-F157 HydrophobicContact CG1-CD1 3.57Å; V7-F157 HydrophobicContact CG1-CE1 3.68Å
8G87.2Confident80.7Confident7 Ų755.8 Ų55.87%0.07229%0.291CS..Hα-helixtrans-61.2-39.9176.600000113.3S4 R5 L6 R12S4-G8 PolarHBondContact O-N 3.22Å; R5-G8 PolarHBondContact O-N 3.49Å; L6-G8 VanDerWaalsContact C-N 3.32Å; L6-G8 PolarHBondContact O-N 3.49Å; G8-R12 PolarHBondContact O-N 3.19Å; G8-R12 VanDerWaalsContact O-N 3.16Å; G8-R12 PolarHBondContact O-NH1 3.47Å; G8-R12 VanDerWaalsContact O-NH1 3.16Å
9K89.5Confident79.9Confident18 Ų1853.7 Ų53.78%0.07828%0.281CS..Hα-helixtrans-64.7-47.1174.5-64.5-160170.7-173.60111.9R5 L6 V7 K11 R12 L13 D109 D112 T114 L116R5-K9 WeakPolarHBondContact O-CG 3.06Å; R5-K9 PolarHBondContact O-N 3.41Å; L6-K9 PolarHBondContact O-N 2.97Å; L6-K9 VanDerWaalsContact O-N 3.14Å; V7-K9 VanDerWaalsContact C-N 3.35Å; V7-K9 PolarHBondContact O-N 2.98Å; K9-K11 VanDerWaalsContact C-N 3.29Å; K9-K11 PolarHBondContact O-N 3.06Å; K9-R12 PolarHBondContact O-N 3.49Å; K9-L13 WeakPolarHBondContact O-CB 3.3Å; K9-L13 PolarHBondContact O-N 3.47Å; K9-D109 WeakPolarHBondContact CD-OD2 3.44Å; K9-D109 VanDerWaalsContact CE-OD2 3.29Å; K9-D109 WeakPolarHBondContact CE-OD2 3.44Å; K9-D109 VanDerWaalsContact CG-OD2 3.25Å; K9-D109 WeakPolarHBondContact CG-OD2 3.16Å; K9-D112 VanDerWaalsContact CE-OD2 3.26Å; K9-D112 WeakPolarHBondContact CE-OD2 3.47Å; K9-D112 IonicContact NZ-OD1 2.96Å; K9-D112 PolarHBondContact NZ-OD1 3.04Å; K9-D112 IonicContact NZ-OD2 3.31Å; K9-D112 PolarHBondContact NZ-OD2 3.48Å; K9-T114 PolarHBondContact NZ-OG1 3.07Å; K9-L116 HydrophobicContact CB-CD1 4.15Å; K9-L116 HydrophobicContact CD-CD1 4.34Å
10L90.2Very high79.6Confident0 Ų052.3 Ų52.30%027%0.274CS..Hα-helixtrans-61.3-39.4178.8-69.8177.1000111.5L6 V7 L13 I14 A29 I47 L49 L149 I151L6-L10 HydrophobicContact CD1-CD1 4.25Å; L6-L10 HydrophobicContact CD1-CG 4.11Å; L6-L10 HydrophobicContact CG-CD1 3.96Å; L6-L10 HydrophobicContact CG-CG 4.27Å; L6-L10 VanDerWaalsContact O-CG 3.31Å; L6-L10 WeakPolarHBondContact O-CG 3.35Å; L6-L10 PolarHBondContact O-N 2.96Å; V7-L10 PolarHBondContact O-N 3.42Å; L10-L13 PolarHBondContact O-N 3Å; L10-I14 WeakPolarHBondContact O-CG1 3.33Å; L10-I14 PolarHBondContact O-N 3.25Å; L10-A29 HydrophobicContact CD1-CB 3.79Å; L10-I47 HydrophobicContact CD2-CD1 3.93Å; L10-I47 HydrophobicContact CD2-CG2 3.69Å; L10-L49 HydrophobicContact CD2-CD2 4.41Å; L10-L149 HydrophobicContact CD1-CD2 3.67Å; L10-I151 HydrophobicContact CB-CD1 4.04Å; L10-I151 HydrophobicContact CB-CG1 4.36Å
11K89.5Confident79.5Confident24 Ų2459.6 Ų59.610%0.10430%0.298CS..Hα-helixtrans-59.6-52.1174.2-172.6-173.3-175.3-53.80111.4V7 K9 L13 I14 D15 I151 N153 E154 F157V7-K11 WeakPolarHBondContact O-CB 3.4Å; V7-K11 PolarHBondContact O-N 3Å; K9-K11 VanDerWaalsContact C-N 3.29Å; K9-K11 PolarHBondContact O-N 3.06Å; K11-L13 VanDerWaalsContact C-N 3.29Å; K11-L13 PolarHBondContact O-N 3.47Å; K11-I14 CarbonylContact O-C 3.51Å; K11-I14 PolarHBondContact O-N 3.11Å; K11-I14 VanDerWaalsContact O-N 3.1Å; K11-D15 IonicContact NZ-OD1 2.87Å; K11-D15 PolarHBondContact NZ-OD1 3.38Å; K11-D15 IonicContact NZ-OD2 3.18Å; K11-D15 PolarHBondContact NZ-OD2 3.38Å; K11-D15 VanDerWaalsContact O-CG 3.3Å; K11-D15 PolarHBondContact O-N 2.8Å; K11-I151 HydrophobicContact CB-CG2 4.2Å; K11-N153 WeakPolarHBondContact CE-O 3.48Å; K11-E154 WeakPolarHBondContact CE-O 3.48Å; K11-F157 HydrophobicContact CB-CE1 4.41Å; K11-F157 HydrophobicContact CD-CE1 4.08Å; K11-F157 HydrophobicContact CD-CZ 4.18Å
12R90.4Very high81.9Confident64 Ų6454.7 Ų54.724%0.24228%0.28CS..Hα-helixtrans-59.1-40.8178-74.1-169.7-65.5-75.94.6112.4G8 K9 D15 T16 W107 D109G8-R12 PolarHBondContact O-N 3.19Å; G8-R12 VanDerWaalsContact O-N 3.16Å; G8-R12 PolarHBondContact O-NH1 3.47Å; G8-R12 VanDerWaalsContact O-NH1 3.16Å; K9-R12 PolarHBondContact O-N 3.49Å; R12-D15 PolarHBondContact O-N 3.05Å; R12-T16 WeakPolarHBondContact O-CG2 3.48Å; R12-T16 PolarHBondContact O-N 2.91Å; R12-W107 HydrophobicContact CB-CH2 4.01Å; R12-W107 HydrophobicContact CB-CZ2 3.92Å; R12-D109 IonicContact CZ-OD1 3.03Å; R12-D109 IonicContact CZ-OD2 3.91Å; R12-D109 IonicContact NE-OD1 2.8Å; R12-D109 PolarHBondContact NE-OD1 3.1Å; R12-D109 IonicContact NE-OD2 3.32Å; R12-D109 IonicContact NH2-OD1 3.28Å; R12-D109 PolarHBondContact NH2-OD1 2.9Å; R12-D109 IonicContact NH2-OD2 2.76Å; R12-D109 PolarHBondContact NH2-OD2 3.43Å
13L91.7Very high83.8Confident0 Ų048.7 Ų48.70%024%0.243CC..Hα-helixtrans-61.1-45.7175.1-177.6163.7000110.9K9 L10 K11 D15 T16 L17 L49 W107 F118K9-L13 WeakPolarHBondContact O-CB 3.3Å; K9-L13 PolarHBondContact O-N 3.47Å; L10-L13 PolarHBondContact O-N 3Å; K11-L13 VanDerWaalsContact C-N 3.29Å; K11-L13 PolarHBondContact O-N 3.47Å; L13-D15 VanDerWaalsContact C-N 3.33Å; L13-D15 PolarHBondContact O-N 3.34Å; L13-T16 PolarHBondContact O-N 3.33Å; L13-T16 PolarHBondContact O-OG1 2.92Å; L13-L17 HydrophobicContact CD2-CD1 3.73Å; L13-L17 PolarHBondContact O-N 2.92Å; L13-L49 HydrophobicContact CD2-CD1 3.51Å; L13-W107 HydrophobicContact CB-CD2 4.14Å; L13-W107 HydrophobicContact CB-CE3 4.27Å; L13-W107 HydrophobicContact CB-CH2 4.22Å; L13-W107 HydrophobicContact CB-CZ2 4.11Å; L13-W107 HydrophobicContact CB-CZ3 4.31Å; L13-W107 HydrophobicContact CD1-CB 4.45Å; L13-W107 HydrophobicContact CD1-CD2 4.23Å; L13-W107 HydrophobicContact CD1-CE3 4.11Å; L13-W107 HydrophobicContact CD1-CG 4.43Å; L13-W107 HydrophobicContact CG-CD2 4.17Å; L13-W107 HydrophobicContact CG-CE3 4.45Å; L13-W107 HydrophobicContact CG-CG 4.3Å; L13-F118 HydrophobicContact CD1-CD1 3.75Å; L13-F118 HydrophobicContact CD1-CD2 4.36Å; L13-F118 HydrophobicContact CD1-CE1 3.91Å; L13-F118 HydrophobicContact CD1-CE2 4.46Å; L13-F118 HydrophobicContact CD1-CG 3.99Å; L13-F118 HydrophobicContact CD1-CZ 4.24Å; L13-F118 HydrophobicContact CD2-CD2 4.13Å; L13-F118 HydrophobicContact CD2-CE2 3.81Å; L13-F118 HydrophobicContact CD2-CZ 4.01Å; L13-F118 HydrophobicContact CG-CE1 4.3Å; L13-F118 HydrophobicContact CG-CE2 4.45Å; L13-F118 HydrophobicContact CG-CZ 4.2Å
14I90.6Very high84.9Confident4 Ų445.3 Ų45.32%0.02122%0.223CC..Hα-helixtrans-63.4-40.3174.8-69.7-61.2000111.1L10 K11 T16 L17 N18 Y24 L49 I51 I151L10-I14 WeakPolarHBondContact O-CG1 3.33Å; L10-I14 PolarHBondContact O-N 3.25Å; K11-I14 CarbonylContact O-C 3.51Å; K11-I14 PolarHBondContact O-N 3.11Å; K11-I14 VanDerWaalsContact O-N 3.1Å; I14-T16 PolarHBondContact O-N 3.07Å; I14-L17 CarbonylContact O-C 3.56Å; I14-L17 WeakPolarHBondContact O-CA 3.38Å; I14-L17 PolarHBondContact O-N 3.26Å; I14-N18 VanDerWaalsContact O-CB 3.28Å; I14-N18 WeakPolarHBondContact O-CB 3.23Å; I14-N18 PolarHBondContact O-N 3.49Å; I14-Y24 HydrophobicContact CG2-CE2 3.94Å; I14-L49 HydrophobicContact CD1-CD1 4.27Å; I14-L49 HydrophobicContact CD1-CD2 4.45Å; I14-I51 HydrophobicContact CD1-CD1 4.19Å; I14-I51 HydrophobicContact CD1-CG1 4.1Å; I14-I151 HydrophobicContact CB-CG2 4.46Å; I14-I151 HydrophobicContact CD1-CD1 4.12Å; I14-I151 HydrophobicContact CG1-CD1 3.52Å; I14-I151 HydrophobicContact CG1-CG2 4.14Å
15D89.1Confident85.6Confident65 Ų6542.1 Ų42.135%0.34820%0.2SC..Hα-helixtrans-59.4-33.5176.9-67.5-28.9000111.5K11 R12 L13 L17K11-D15 IonicContact NZ-OD1 2.87Å; K11-D15 PolarHBondContact NZ-OD1 3.38Å; K11-D15 IonicContact NZ-OD2 3.18Å; K11-D15 PolarHBondContact NZ-OD2 3.38Å; K11-D15 VanDerWaalsContact O-CG 3.3Å; K11-D15 PolarHBondContact O-N 2.8Å; R12-D15 PolarHBondContact O-N 3.05Å; L13-D15 VanDerWaalsContact C-N 3.33Å; L13-D15 PolarHBondContact O-N 3.34Å; D15-L17 VanDerWaalsContact C-N 3.32Å; D15-L17 PolarHBondContact O-N 2.93Å
16T88.5Confident86.1Confident68 Ų6835 Ų3542%0.41717%0.174SC..Hα-helixtrans-72.4-20.9172.761.60000114.8R12 L13 I14 W107R12-T16 WeakPolarHBondContact O-CG2 3.48Å; R12-T16 PolarHBondContact O-N 2.91Å; L13-T16 PolarHBondContact O-N 3.33Å; L13-T16 PolarHBondContact O-OG1 2.92Å; I14-T16 PolarHBondContact O-N 3.07Å; T16-W107 PolarHBondContact OG1-NE1 3.35Å
17L87.9Confident86.5Confident3 Ų333.4 Ų33.42%0.01617%0.166CC..Hα-helixtrans-101.2-11.1176.6-63.3174.2000112.6L13 I14 D15 T19 I51 W59 F118 Y120L13-L17 HydrophobicContact CD2-CD1 3.73Å; L13-L17 PolarHBondContact O-N 2.92Å; I14-L17 CarbonylContact O-C 3.56Å; I14-L17 WeakPolarHBondContact O-CA 3.38Å; I14-L17 PolarHBondContact O-N 3.26Å; D15-L17 VanDerWaalsContact C-N 3.32Å; D15-L17 PolarHBondContact O-N 2.93Å; L17-T19 WeakPolarHBondContact O-CG2 3.42Å; L17-T19 PolarHBondContact O-N 2.95Å; L17-I51 HydrophobicContact CB-CD1 4.29Å; L17-I51 HydrophobicContact CD1-CD1 4.14Å; L17-W59 WeakPolarHBondContact O-CZ2 3.42Å; L17-F118 HydrophobicContact CD1-CE2 3.73Å; L17-F118 HydrophobicContact CD1-CZ 4.18Å; L17-Y120 HydrophobicContact CD1-CD1 4.22Å; L17-Y120 HydrophobicContact CD1-CE1 4.45Å; L17-Y120 HydrophobicContact CD1-CG 4.37Å; L17-Y120 HydrophobicContact CD2-CE1 4.39Å
18N75.3Confident86.9Confident28 Ų2832.4 Ų32.415%0.1516%0.16CC..  trans-81.262.9-179.4-168.83.2000109.2I14 D20 Y24I14-N18 VanDerWaalsContact O-CB 3.28Å; I14-N18 WeakPolarHBondContact O-CB 3.23Å; I14-N18 PolarHBondContact O-N 3.49Å; N18-D20 PolarHBondContact O-N 3.22Å; N18-D20 PolarHBondContact OD1-O 3.37Å; N18-Y24 WeakPolarHBondContact OD1-CB 3.38Å
19T66.4Low87.2Confident17 Ų1732.1 Ų32.110%0.10416%0.157CC..  trans-61.1-26.7-175.662.90000111L17 K62 N63 E66L17-T19 WeakPolarHBondContact O-CG2 3.42Å; L17-T19 PolarHBondContact O-N 2.95Å; T19-K62 WeakPolarHBondContact O-CE 3.29Å; T19-K62 PolarHBondContact O-NZ 2.89Å; T19-N63 HydrophobicContact CG2-CB 4.37Å; T19-E66 WeakPolarHBondContact CB-OE2 3.31Å; T19-E66 WeakPolarHBondContact CG2-OE2 3.42Å
20D74.7Confident87.3Confident25 Ų2532.6 Ų32.613%0.13416%0.158CC..  trans-142107177.5178.68000112.1N18 T22 N23 Y24 K62N18-D20 PolarHBondContact O-N 3.22Å; N18-D20 PolarHBondContact OD1-O 3.37Å; D20-T22 VanDerWaalsContact CG-OG1 3.3Å; D20-T22 PolarHBondContact O-N 2.89Å; D20-T22 WeakPolarHBondContact OD1-CB 3.35Å; D20-T22 PolarHBondContact OD1-N 3.02Å; D20-T22 PolarHBondContact OD1-OG1 3.43Å; D20-T22 PolarHBondContact OD2-OG1 3.12Å; D20-N23 HydrophobicContact CB-CB 4.23Å; D20-N23 PolarHBondContact O-N 3.23Å; D20-N23 WeakPolarHBondContact OD2-CB 3.5Å; D20-Y24 PolarHBondContact O-N 2.94Å; D20-K62 HydrophobicContact CB-CD 4.08Å
21R77Confident87Confident206 Ų20633.2 Ų33.278%0.77716%0.164SC*.THydrogen-bonded Turntrans-63.3-23.3179.2-69.1-171176.5-172.8-0.3113.9
22T83.8Confident86.4Confident109 Ų10932.5 Ų32.567%0.66916%0.162SC*.THydrogen-bonded Turntrans-78.7-32.1-179.367.40000111.9D20D20-T22 VanDerWaalsContact CG-OG1 3.3Å; D20-T22 PolarHBondContact O-N 2.89Å; D20-T22 WeakPolarHBondContact OD1-CB 3.35Å; D20-T22 PolarHBondContact OD1-N 3.02Å; D20-T22 PolarHBondContact OD1-OG1 3.43Å; D20-T22 PolarHBondContact OD2-OG1 3.12Å
23N90.2Very high86Confident5 Ų531.2 Ų31.23%0.02716%0.162CC..THydrogen-bonded Turntrans-87.3-31.5179.7-168.6-0.9000112.6D20 V53 R54 N55 W59D20-N23 HydrophobicContact CB-CB 4.23Å; D20-N23 PolarHBondContact O-N 3.23Å; D20-N23 WeakPolarHBondContact OD2-CB 3.5Å; N23-V53 CarbonylContact O-C 3.26Å; N23-V53 VanDerWaalsContact O-CA 3.26Å; N23-V53 WeakPolarHBondContact O-CA 3.46Å; N23-R54 PolarHBondContact O-N 3.11Å; N23-R54 PolarHBondContact OD1-N 3.1Å; N23-N55 PolarHBondContact ND2-O 3.4Å; N23-N55 PolarHBondContact OD1-N 3.11Å; N23-W59 PolarHBondContact ND2-N 3.34Å
24Y91Very high85.4Confident18 Ų1831.8 Ų31.87%0.07117%0.165CC..EExtended strand (participates in β ladder)trans-67134.6176.2172.9-86.5000112.3I14 N18 D20 S27 I51 N153I14-Y24 HydrophobicContact CG2-CE2 3.94Å; N18-Y24 WeakPolarHBondContact OD1-CB 3.38Å; D20-Y24 PolarHBondContact O-N 2.94Å; Y24-S27 PolarHBondContact OH-N 3.39Å; Y24-S27 VanDerWaalsContact OH-N 3.16Å; Y24-S27 PolarHBondContact OH-OG 3.15Å; Y24-I51 HydrophobicContact CD2-CG2 3.79Å; Y24-I51 HydrophobicContact CE2-CG2 3.99Å; Y24-N153 WeakPolarHBondContact CE1-OD1 3.45Å; Y24-N153 PolarHBondContact OH-OD1 3.22Å
25V91.2Very high84.9Confident15 Ų1533.2 Ų33.29%0.09117%0.171CC..EExtended strand (participates in β ladder)trans-110.2-58.3178179.10000110.8I52 R54 L125 N153 D164V25-I52 HydrophobicContact CB-CB 4.47Å; V25-I52 HydrophobicContact CB-CG2 4.19Å; V25-I52 WeakPolarHBondContact CB-O 3.39Å; V25-I52 HydrophobicContact CG1-CG2 4.48Å; V25-I52 PolarHBondContact N-O 2.88Å; V25-R54 HydrophobicContact CG2-CG 3.66Å; V25-L125 HydrophobicContact CG1-CD1 4.4Å; V25-L125 HydrophobicContact CG1-CD2 4.41Å; V25-L125 HydrophobicContact CG2-CD2 4.38Å; V25-N153 PolarHBondContact O-ND2 3.39Å; V25-D164 HydrophobicContact CG1-CB 3.95Å
26A92.3Very high84.1Confident4 Ų434.2 Ų34.23%0.03318%0.181CC..EExtended strand (participates in β ladder)trans-159.9167.5-176.100000110.7I52 W150 L167A26-I52 HydrophobicContact CB-CD1 4.05Å; A26-I52 PolarHBondContact N-O 3.42Å; A26-I52 WeakPolarHBondContact O-CB 3.41Å; A26-I52 PolarHBondContact O-N 3.13Å; A26-W150 HydrophobicContact CB-CZ3 4.14Å; A26-L167 HydrophobicContact CB-CD2 4.32Å
27S93.6Very high83.2Confident1 Ų131.6 Ų31.61%0.00716%0.164CC..EExtended strand (participates in β ladder)trans-147.2153.7169.8570000111.5Y24 V50 I151Y24-S27 PolarHBondContact OH-N 3.39Å; Y24-S27 VanDerWaalsContact OH-N 3.16Å; Y24-S27 PolarHBondContact OH-OG 3.15Å; S27-V50 CarbonylContact C-O 3.28Å; S27-V50 WeakPolarHBondContact CA-O 3.35Å; S27-V50 VanDerWaalsContact CB-O 3.25Å; S27-V50 WeakPolarHBondContact CB-O 3.39Å; S27-I151 PolarHBondContact O-N 2.97Å
28F93.8Very high82.3Confident0 Ų036.4 Ų36.40%019%0.185CC..EExtended strand (participates in β ladder)trans-140.1146.1174.363.2-96.1000111.6Y30 L49 V50 I52 L140 R143 L144 V148 L149 W150F28-Y30 HydrophobicContact CD2-CD1 4.16Å; F28-Y30 AromaticContact CE2-CD1 3.98Å; F28-Y30 HydrophobicContact CE2-CD1 3.98Å; F28-Y30 HydrophobicContact CE2-CE1 4.38Å; F28-L49 WeakPolarHBondContact O-CA 3.15Å; F28-V50 HydrophobicContact CD1-CB 4.17Å; F28-V50 HydrophobicContact CD2-CB 4.25Å; F28-V50 HydrophobicContact CD2-CG2 4.39Å; F28-V50 HydrophobicContact CE1-CB 3.67Å; F28-V50 HydrophobicContact CE1-CG1 3.82Å; F28-V50 HydrophobicContact CE1-CG2 4.26Å; F28-V50 HydrophobicContact CE2-CB 3.75Å; F28-V50 HydrophobicContact CE2-CG2 3.57Å; F28-V50 HydrophobicContact CG-CB 4.45Å; F28-V50 HydrophobicContact CZ-CB 3.44Å; F28-V50 VanDerWaalsContact CZ-CB 3.44Å; F28-V50 HydrophobicContact CZ-CG1 3.83Å; F28-V50 HydrophobicContact CZ-CG2 3.51Å; F28-V50 PolarHBondContact N-O 3.48Å; F28-V50 PolarHBondContact O-N 3.42Å; F28-I52 HydrophobicContact CD1-CD1 4.18Å; F28-I52 HydrophobicContact CE1-CD1 4.15Å; F28-L140 HydrophobicContact CZ-CD2 4.49Å; F28-R143 HydrophobicContact CE2-CG 4.07Å; F28-L144 HydrophobicContact CD1-CD2 4.15Å; F28-L144 HydrophobicContact CD2-CD2 4.42Å; F28-L144 HydrophobicContact CE1-CD1 4.35Å; F28-L144 HydrophobicContact CE1-CD2 3.87Å; F28-L144 HydrophobicContact CE1-CG 4.39Å; F28-L144 HydrophobicContact CE2-CD2 4.17Å; F28-L144 HydrophobicContact CG-CD2 4.41Å; F28-L144 HydrophobicContact CZ-CD2 3.88Å; F28-L144 HydrophobicContact CZ-CG 4.27Å; F28-V148 HydrophobicContact CB-CB 4.21Å; F28-V148 HydrophobicContact CB-CG2 4.31Å; F28-V148 HydrophobicContact CD2-CB 4Å; F28-V148 HydrophobicContact CD2-CG1 3.71Å; F28-V148 HydrophobicContact CE2-CG1 4.06Å; F28-V148 HydrophobicContact CG-CB 4.33Å; F28-V148 HydrophobicContact CG-CG1 4.44Å; F28-V148 HydrophobicContact CG-CG2 4.45Å; F28-L149 CarbonylContact C-O 3.58Å; F28-L149 VanDerWaalsContact CA-O 3.26Å; F28-L149 WeakPolarHBondContact CA-O 3.35Å; F28-W150 HydrophobicContact CB-CD2 4.02Å; F28-W150 HydrophobicContact CB-CE3 3.82Å; F28-W150 HydrophobicContact CB-CG 4.44Å; F28-W150 HydrophobicContact CB-CZ3 4.27Å; F28-W150 HydrophobicContact CD1-CE3 4.12Å; F28-W150 AromaticContact CD1-CH2 3.89Å; F28-W150 HydrophobicContact CD1-CH2 3.89Å; F28-W150 AromaticContact CD1-CZ3 3.68Å; F28-W150 HydrophobicContact CD1-CZ3 3.68Å; F28-W150 HydrophobicContact CE1-CH2 4.45Å; F28-W150 HydrophobicContact CG-CE3 4.44Å; F28-W150 HydrophobicContact CG-CZ3 4.42Å
29A93.7Very high81.9Confident0 Ų040 Ų400%021%0.205CC..EExtended strand (participates in β ladder)trans-102.7150.3173.200000111L10 V34 D48 L49 L149 I151L10-A29 HydrophobicContact CD1-CB 3.79Å; A29-V34 HydrophobicContact CB-CG2 3.74Å; A29-D48 CarbonylContact C-O 3.18Å; A29-D48 VanDerWaalsContact CA-O 3.3Å; A29-D48 WeakPolarHBondContact CA-O 3.42Å; A29-L49 HydrophobicContact CB-CD2 3.58Å; A29-L149 HydrophobicContact CB-CB 4.42Å; A29-L149 PolarHBondContact N-O 3.49Å; A29-L149 PolarHBondContact O-N 3.01Å; A29-I151 HydrophobicContact CB-CD1 4.36Å
30Y91.8Very high81.9Confident28 Ų2840.5 Ų40.511%0.1120%0.204CC..EExtended strand (participates in β ladder)trans-152-178.6176.868.4-80.7000113.3F28 D48 V50 Y101 R143F28-Y30 HydrophobicContact CD2-CD1 4.16Å; F28-Y30 AromaticContact CE2-CD1 3.98Å; F28-Y30 HydrophobicContact CE2-CD1 3.98Å; F28-Y30 HydrophobicContact CE2-CE1 4.38Å; Y30-D48 HydrophobicContact CD1-CB 3.78Å; Y30-D48 VanDerWaalsContact CD1-O 3.24Å; Y30-D48 WeakPolarHBondContact CD1-O 3.48Å; Y30-D48 HydrophobicContact CD2-CB 3.84Å; Y30-D48 HydrophobicContact CE1-CB 3.55Å; Y30-D48 HydrophobicContact CE2-CB 3.65Å; Y30-D48 HydrophobicContact CG-CB 3.9Å; Y30-D48 VanDerWaalsContact CZ-CB 3.49Å; Y30-D48 PolarHBondContact N-O 2.9Å; Y30-D48 WeakPolarHBondContact O-CB 3.32Å; Y30-D48 PolarHBondContact O-N 3.3Å; Y30-V50 HydrophobicContact CD1-CG2 4.49Å; Y30-V50 HydrophobicContact CE1-CG2 3.82Å; Y30-Y101 PolarHBondContact OH-OH 2.81Å; Y30-R143 VanDerWaalsContact CB-CZ 3.45Å
31G84.4Confident81.3Confident13 Ų1343.3 Ų43.313%0.13422%0.222CC..SBendtrans95-175.3175.900000112.3V33 V34 F35G31-V33 PolarHBondContact O-N 2.92Å; G31-V34 PolarHBondContact O-N 3.42Å; G31-F35 PolarHBondContact O-N 2.88Å
32S77.7Confident80.7Confident9 Ų936 Ų366%0.06320%0.203CC..THydrogen-bonded Turntrans-71-15.3-168.951.40000114.7F35S32-F35 WeakPolarHBondContact CA-O 3.46Å
33V80.2Confident79.3Confident37 Ų3735 Ų3522%0.22420%0.201CC..THydrogen-bonded Turntrans-76.4-42.3174.7-1790000110.7G31 S45 I47G31-V33 PolarHBondContact O-N 2.92Å; V33-S45 WeakPolarHBondContact CG2-O 3.37Å; V33-I47 HydrophobicContact CB-CG1 4.2Å; V33-I47 HydrophobicContact CG1-CG1 3.83Å; V33-I47 HydrophobicContact CG2-CG1 4.45Å
34V80.8Confident78Confident13 Ų1341.2 Ų41.28%0.07923%0.234CC..THydrogen-bonded Turntrans-79.5-41.3-179.7-175.10000110.6A29 G31 L149A29-V34 HydrophobicContact CB-CG2 3.74Å; G31-V34 PolarHBondContact O-N 3.42Å; V34-L149 HydrophobicContact CG1-CB 3.47Å; V34-L149 VanDerWaalsContact CG1-CB 3.47Å; V34-L149 HydrophobicContact CG1-CD2 3.74Å; V34-L149 HydrophobicContact CG1-CG 4.26Å
35F78.5Confident77.1Confident34 Ų3441.5 Ų41.515%0.14924%0.238CC..SBendtrans-123.792.3-178.8-60.4-79.5000109.7G31 S32 Q37 P147 L149 E234G31-F35 PolarHBondContact O-N 2.88Å; S32-F35 WeakPolarHBondContact CA-O 3.46Å; F35-Q37 PolarHBondContact O-N 2.86Å; F35-P147 HydrophobicContact CE1-CB 4.08Å; F35-P147 HydrophobicContact CZ-CB 4.28Å; F35-L149 HydrophobicContact CE2-CB 4.24Å; F35-L149 HydrophobicContact CZ-CB 4.12Å; F35-E234 WeakPolarHBondContact CD1-OE2 3.32Å; F35-E234 WeakPolarHBondContact CE1-OE2 3.28Å
36P72.4Confident76.7Confident85 Ų8542.2 Ų42.255%0.55224%0.242SC*.PPolyproline II helixtrans-54.1132.3-179.9-26.534.9000112.1
37Q70.6Confident76.5Confident13 Ų1342.2 Ų42.26%0.06124%0.241CC..PPolyproline II helixtrans-98.9149.9-178.3-60.7-170.7-17.400110.6F35 D39 R40F35-Q37 PolarHBondContact O-N 2.86Å; Q37-D39 PolarHBondContact O-N 3.15Å; Q37-R40 HydrophobicContact CB-CB 4.26Å; Q37-R40 PolarHBondContact O-N 3.37Å
38K68.5Low76.5Confident105 Ų10543.3 Ų43.346%0.45725%0.247SC..THydrogen-bonded Turntrans-57.5127.8178.1-170.8178.9174.5179.20110.5R40 R224K38-R40 VanDerWaalsContact C-N 3.34Å; K38-R40 PolarHBondContact O-N 3.17Å; K38-R224 PolarHBondContact O-NH1 3.21Å
39D68.1Low76.5Confident104 Ų10443.3 Ų43.356%0.55625%0.247SC*.THydrogen-bonded Turntrans59.929.9-179-25.1-55000115.5Q37 R224Q37-D39 PolarHBondContact O-N 3.15Å; D39-R224 IonicContact OD2-NH1 3.39Å; D39-R224 PolarHBondContact OD2-NH1 2.88Å
40R66.2Low76.6Confident26 Ų2643.3 Ų43.310%0.09825%0.247CC..  trans-121.8125.9173.8-113.2-173.385.81279.3112.2Q37 K38 S45 W370Q37-R40 HydrophobicContact CB-CB 4.26Å; Q37-R40 PolarHBondContact O-N 3.37Å; K38-R40 VanDerWaalsContact C-N 3.34Å; K38-R40 PolarHBondContact O-N 3.17Å; R40-S45 PolarHBondContact NH2-OG 3.28Å; R40-W370 HydrophobicContact CG-CD2 4.04Å; R40-W370 HydrophobicContact CG-CE3 3.86Å; R40-W370 HydrophobicContact CG-CH2 4.47Å; R40-W370 HydrophobicContact CG-CZ3 4.11Å
41T61.2Low76.7Confident84 Ų8442 Ų4252%0.51524%0.242SC..  trans-76.7135162.848.50000109.3
42S63.8Low77.2Confident52 Ų5241.4 Ų41.436%0.36424%0.235SC..  trans-94.85.217950.50000112.8N44 S45S42-N44 PolarHBondContact O-N 2.81Å; S42-S45 PolarHBondContact O-N 2.71Å
43S56.1Low77.9Confident89 Ų8941 Ų4162%0.62223%0.232SC*.THydrogen-bonded Turntrans-60.9-13.1-162.146.80000116.4
44N61.6Low78.5Confident135 Ų13545.9 Ų45.972%0.72225%0.247SC*.THydrogen-bonded Turntrans-136.717.9171.9-69-46.2000112.8S42S42-N44 PolarHBondContact O-N 2.81Å
45S72.7Confident79Confident24 Ų2448.1 Ų48.117%0.16826%0.258CS..PPolyproline II helixtrans-79.7137.7-177.5-67.40000110.7V33 R40 S42V33-S45 WeakPolarHBondContact CG2-O 3.37Å; R40-S45 PolarHBondContact NH2-OG 3.28Å; S42-S45 PolarHBondContact O-N 2.71Å
46L82.7Confident79.6Confident31 Ų3146.8 Ų46.816%0.16225%0.253CS..PPolyproline II helixtrans-65.8143.2171.8-61.9174.7000110.5F104 S117L46-F104 HydrophobicContact CD1-CD1 3.83Å; L46-F104 HydrophobicContact CD1-CE1 3.76Å; L46-F104 HydrophobicContact CD1-CZ 4.44Å; L46-F104 HydrophobicContact CD2-CD1 4.17Å; L46-S117 WeakPolarHBondContact CA-O 3.35Å; L46-S117 VanDerWaalsContact CD2-CB 3.48Å
47I88.6Confident80.4Confident3 Ų343.2 Ų43.22%0.01523%0.23CC..EExtended strand (participates in β ladder)trans-71.4128.9161.9-61.8167000107.6L10 V33 L49 L116 S117 F118 K119L10-I47 HydrophobicContact CD2-CD1 3.93Å; L10-I47 HydrophobicContact CD2-CG2 3.69Å; V33-I47 HydrophobicContact CB-CG1 4.2Å; V33-I47 HydrophobicContact CG1-CG1 3.83Å; V33-I47 HydrophobicContact CG2-CG1 4.45Å; I47-L49 HydrophobicContact CG2-CD1 4.43Å; I47-L49 HydrophobicContact CG2-CD2 4.28Å; I47-L49 HydrophobicContact CG2-CG 4Å; I47-L116 HydrophobicContact CD1-CB 4.3Å; I47-L116 HydrophobicContact CD1-CD1 3.96Å; I47-L116 HydrophobicContact CD1-CD2 4.07Å; I47-L116 HydrophobicContact CD1-CG 4.35Å; I47-S117 PolarHBondContact N-O 2.85Å; I47-S117 VanDerWaalsContact N-O 3.08Å; I47-F118 HydrophobicContact CB-CB 3.9Å; I47-F118 CarbonylContact O-C 3.5Å; I47-F118 VanDerWaalsContact O-CA 3.31Å; I47-F118 WeakPolarHBondContact O-CA 3.31Å; I47-F118 WeakPolarHBondContact O-CB 3.48Å; I47-K119 PolarHBondContact O-N 3.42Å
48D92.2Very high81.3Confident24 Ų2447.1 Ų47.113%0.12825%0.248CC..EExtended strand (participates in β ladder)trans-99.4116.6176.5-56.7-52.8000109.7A29 Y30 K119A29-D48 CarbonylContact C-O 3.18Å; A29-D48 VanDerWaalsContact CA-O 3.3Å; A29-D48 WeakPolarHBondContact CA-O 3.42Å; Y30-D48 HydrophobicContact CD1-CB 3.78Å; Y30-D48 VanDerWaalsContact CD1-O 3.24Å; Y30-D48 WeakPolarHBondContact CD1-O 3.48Å; Y30-D48 HydrophobicContact CD2-CB 3.84Å; Y30-D48 HydrophobicContact CE1-CB 3.55Å; Y30-D48 HydrophobicContact CE2-CB 3.65Å; Y30-D48 HydrophobicContact CG-CB 3.9Å; Y30-D48 VanDerWaalsContact CZ-CB 3.49Å; Y30-D48 PolarHBondContact N-O 2.9Å; Y30-D48 WeakPolarHBondContact O-CB 3.32Å; Y30-D48 PolarHBondContact O-N 3.3Å; D48-K119 HydrophobicContact CB-CG 4.38Å; D48-K119 VanDerWaalsContact CG-NZ 3.32Å; D48-K119 WeakPolarHBondContact OD1-CD 3.46Å; D48-K119 WeakPolarHBondContact OD1-CE 3.48Å; D48-K119 WeakPolarHBondContact OD1-CG 3.47Å; D48-K119 IonicContact OD1-NZ 3.74Å; D48-K119 PolarHBondContact OD1-NZ 3.09Å; D48-K119 IonicContact OD2-NZ 2.96Å
49L94.5Very high82.4Confident0 Ų042.1 Ų42.10%023%0.226CC..EExtended strand (participates in β ladder)trans-114148-179.5-69.1166.6000111.6L10 L13 I14 F28 A29 I47 F118 K119 Y120 G121 I151L10-L49 HydrophobicContact CD2-CD2 4.41Å; L13-L49 HydrophobicContact CD2-CD1 3.51Å; I14-L49 HydrophobicContact CD1-CD1 4.27Å; I14-L49 HydrophobicContact CD1-CD2 4.45Å; F28-L49 WeakPolarHBondContact O-CA 3.15Å; A29-L49 HydrophobicContact CB-CD2 3.58Å; I47-L49 HydrophobicContact CG2-CD1 4.43Å; I47-L49 HydrophobicContact CG2-CD2 4.28Å; I47-L49 HydrophobicContact CG2-CG 4Å; L49-F118 HydrophobicContact CD1-CB 4.5Å; L49-F118 HydrophobicContact CD1-CD2 3.84Å; L49-F118 HydrophobicContact CD1-CE2 4.46Å; L49-F118 HydrophobicContact CD1-CG 4.44Å; L49-K119 PolarHBondContact N-O 3.36Å; L49-Y120 CarbonylContact O-C 3.5Å; L49-Y120 WeakPolarHBondContact O-CA 3.07Å; L49-G121 PolarHBondContact O-N 2.9Å; L49-I151 HydrophobicContact CD2-CD1 3.47Å; L49-I151 VanDerWaalsContact CD2-CD1 3.47Å
50V95.5Very high83.5Confident0 Ų037.4 Ų37.40%020%0.201CC..EExtended strand (participates in β ladder)trans-125.8130.7163.2-179.40000108.4S27 F28 Y30 I52 G121 V123 L140S27-V50 CarbonylContact C-O 3.28Å; S27-V50 WeakPolarHBondContact CA-O 3.35Å; S27-V50 VanDerWaalsContact CB-O 3.25Å; S27-V50 WeakPolarHBondContact CB-O 3.39Å; F28-V50 HydrophobicContact CD1-CB 4.17Å; F28-V50 HydrophobicContact CD2-CB 4.25Å; F28-V50 HydrophobicContact CD2-CG2 4.39Å; F28-V50 HydrophobicContact CE1-CB 3.67Å; F28-V50 HydrophobicContact CE1-CG1 3.82Å; F28-V50 HydrophobicContact CE1-CG2 4.26Å; F28-V50 HydrophobicContact CE2-CB 3.75Å; F28-V50 HydrophobicContact CE2-CG2 3.57Å; F28-V50 HydrophobicContact CG-CB 4.45Å; F28-V50 HydrophobicContact CZ-CB 3.44Å; F28-V50 VanDerWaalsContact CZ-CB 3.44Å; F28-V50 HydrophobicContact CZ-CG1 3.83Å; F28-V50 HydrophobicContact CZ-CG2 3.51Å; F28-V50 PolarHBondContact N-O 3.48Å; F28-V50 PolarHBondContact O-N 3.42Å; Y30-V50 HydrophobicContact CD1-CG2 4.49Å; Y30-V50 HydrophobicContact CE1-CG2 3.82Å; V50-I52 HydrophobicContact CG1-CG1 4.42Å; V50-G121 CarbonylContact C-O 3.57Å; V50-G121 WeakPolarHBondContact CA-O 3.46Å; V50-V123 HydrophobicContact CG1-CG1 3.93Å; V50-L140 HydrophobicContact CG2-CD2 4.32Å
51I94.7Very high84.5Confident1 Ų138.1 Ų38.11%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-109.9125.5174.6-53.3176.8000107I14 L17 Y24 V53 W59 Y120 G121 V122 V123I14-I51 HydrophobicContact CD1-CD1 4.19Å; I14-I51 HydrophobicContact CD1-CG1 4.1Å; L17-I51 HydrophobicContact CB-CD1 4.29Å; L17-I51 HydrophobicContact CD1-CD1 4.14Å; Y24-I51 HydrophobicContact CD2-CG2 3.79Å; Y24-I51 HydrophobicContact CE2-CG2 3.99Å; I51-V53 HydrophobicContact CG2-CG1 3.81Å; I51-W59 HydrophobicContact CD1-CH2 4.22Å; I51-W59 HydrophobicContact CD1-CZ2 3.85Å; I51-Y120 HydrophobicContact CD1-CD2 4.13Å; I51-G121 PolarHBondContact N-O 3.34Å; I51-V122 HydrophobicContact CB-CG2 4.46Å; I51-V122 WeakPolarHBondContact O-CA 3.15Å; I51-V123 PolarHBondContact O-N 3.03Å
52I94.6Very high85.9Confident0 Ų037.9 Ų37.90%020%0.198CC..EExtended strand (participates in β ladder)trans-103.1123.4-180-55.4158.6000106.7V25 A26 F28 V50 V123 L125 L128 W150 L167V25-I52 HydrophobicContact CB-CB 4.47Å; V25-I52 HydrophobicContact CB-CG2 4.19Å; V25-I52 WeakPolarHBondContact CB-O 3.39Å; V25-I52 HydrophobicContact CG1-CG2 4.48Å; V25-I52 PolarHBondContact N-O 2.88Å; A26-I52 HydrophobicContact CB-CD1 4.05Å; A26-I52 PolarHBondContact N-O 3.42Å; A26-I52 WeakPolarHBondContact O-CB 3.41Å; A26-I52 PolarHBondContact O-N 3.13Å; F28-I52 HydrophobicContact CD1-CD1 4.18Å; F28-I52 HydrophobicContact CE1-CD1 4.15Å; V50-I52 HydrophobicContact CG1-CG1 4.42Å; I52-V123 WeakPolarHBondContact CA-O 3.29Å; I52-V123 HydrophobicContact CG1-CG1 4.07Å; I52-L125 HydrophobicContact CG2-CB 4.16Å; I52-L125 HydrophobicContact CG2-CD1 4.04Å; I52-L128 HydrophobicContact CD1-CD2 3.42Å; I52-L128 VanDerWaalsContact CD1-CD2 3.42Å; I52-L128 HydrophobicContact CG1-CD2 3.75Å; I52-L128 HydrophobicContact CG2-CD2 4.08Å; I52-W150 HydrophobicContact CD1-CH2 4.18Å; I52-W150 HydrophobicContact CD1-CZ3 3.83Å; I52-L167 HydrophobicContact CD1-CD2 4.06Å
53V93Very high87.2Confident0 Ų035.4 Ų35.40%018%0.181CC..EExtended strand (participates in β ladder)trans-130.5161.1-175.1-56.70000110.1N23 I51 P56 W59 V122 V123 S124 L125N23-V53 CarbonylContact O-C 3.26Å; N23-V53 VanDerWaalsContact O-CA 3.26Å; N23-V53 WeakPolarHBondContact O-CA 3.46Å; I51-V53 HydrophobicContact CG2-CG1 3.81Å; V53-P56 HydrophobicContact CG2-CB 4.16Å; V53-P56 HydrophobicContact CG2-CG 3.82Å; V53-W59 HydrophobicContact CG1-CB 4.35Å; V53-W59 HydrophobicContact CG1-CD2 4.48Å; V53-W59 HydrophobicContact CG1-CG 3.87Å; V53-W59 HydrophobicContact CG2-CB 4.28Å; V53-V122 HydrophobicContact CG1-CG1 4.16Å; V53-V122 HydrophobicContact CG2-CG1 3.67Å; V53-V123 PolarHBondContact N-O 3.05Å; V53-S124 CarbonylContact O-C 3.59Å; V53-S124 VanDerWaalsContact O-CA 3.22Å; V53-S124 WeakPolarHBondContact O-CA 3.22Å; V53-L125 PolarHBondContact O-N 2.91Å
54R92.3Very high88.8Confident140 Ų14031.4 Ų31.453%0.52815%0.153SC..SBendtrans-75.9-46175.8-60.7-173.4-174.2-75.3-2.5110.9N23 V25N23-R54 PolarHBondContact O-N 3.11Å; N23-R54 PolarHBondContact OD1-N 3.1Å; V25-R54 HydrophobicContact CG2-CG 3.66Å
55N91.5Very high90.1Very high60 Ų6029.1 Ų29.132%0.32115%0.147SC..  trans-125.697.5-178.4-174-13.5000111.1N23 V57 E58 W59N23-N55 PolarHBondContact ND2-O 3.4Å; N23-N55 PolarHBondContact OD1-N 3.11Å; N55-V57 VanDerWaalsContact C-N 3.29Å; N55-V57 PolarHBondContact O-N 2.83Å; N55-V57 WeakPolarHBondContact OD1-CB 3.39Å; N55-V57 PolarHBondContact OD1-N 3.2Å; N55-V57 VanDerWaalsContact OD1-N 3.14Å; N55-E58 HydrophobicContact CB-CB 4.04Å; N55-E58 PolarHBondContact ND2-OE2 2.77Å; N55-E58 PolarHBondContact O-N 3.02Å; N55-E58 PolarHBondContact OD1-N 2.8Å; N55-W59 WeakPolarHBondContact O-CB 3.42Å; N55-W59 PolarHBondContact O-N 3.38Å; N55-W59 VanDerWaalsContact O-N 3.09Å
56P91.6Very high90.9Very high6 Ų632.4 Ų32.44%0.03916%0.16CC..Hα-helixtrans-60.9-32.9178.8-26.636000114.5V53 H60 V122V53-P56 HydrophobicContact CG2-CB 4.16Å; V53-P56 HydrophobicContact CG2-CG 3.82Å; P56-H60 WeakPolarHBondContact O-CB 3.22Å; P56-H60 PolarHBondContact O-CD2 2.65Å; P56-H60 PolarHBondContact O-N 2.76Å; P56-V122 HydrophobicContact CB-CG1 4.48Å
57V89.1Confident91.4Very high10 Ų1032.9 Ų32.96%0.06116%0.163CC..Hα-helixtrans-65.2-53.9-179.3171.30000109.5N55 W59 H60 L61 L87 E88 H91N55-V57 VanDerWaalsContact C-N 3.29Å; N55-V57 PolarHBondContact O-N 2.83Å; N55-V57 WeakPolarHBondContact OD1-CB 3.39Å; N55-V57 PolarHBondContact OD1-N 3.2Å; N55-V57 VanDerWaalsContact OD1-N 3.14Å; V57-W59 VanDerWaalsContact C-N 3.29Å; V57-W59 PolarHBondContact O-N 3.42Å; V57-H60 PolarHBondContact O-N 3.15Å; V57-H60 VanDerWaalsContact O-N 3.17Å; V57-L61 HydrophobicContact CG1-CD1 4.1Å; V57-L61 WeakPolarHBondContact O-CG 3.21Å; V57-L61 PolarHBondContact O-N 3.07Å; V57-L87 HydrophobicContact CG1-CB 3.86Å; V57-L87 HydrophobicContact CG2-CB 4.43Å; V57-E88 HydrophobicContact CB-CG 4.21Å; V57-E88 HydrophobicContact CG1-CG 3.63Å; V57-E88 HydrophobicContact CG2-CG 3.86Å; V57-H91 HydrophobicContact CG2-CB 4.02Å
58E88.9Confident91.4Very high95 Ų9534.5 Ų34.544%0.44417%0.173SC..Hα-helixtrans-58.5-43.7178.6179.7174.3-167.100111.4N55 H60 L61 K62N55-E58 HydrophobicContact CB-CB 4.04Å; N55-E58 PolarHBondContact ND2-OE2 2.77Å; N55-E58 PolarHBondContact O-N 3.02Å; N55-E58 PolarHBondContact OD1-N 2.8Å; E58-H60 PolarHBondContact O-N 3.41Å; E58-L61 PolarHBondContact O-N 3.17Å; E58-K62 PolarHBondContact O-N 2.89Å; E58-K62 VanDerWaalsContact O-N 3.14Å
59W92Very high91.4Very high1 Ų138.8 Ų38.80%0.00420%0.196CC..Hα-helixtrans-60.3-45.7176.3-169.793000111.9L17 N23 I51 V53 N55 V57 K62 N63 Y71 Y120 V122L17-W59 WeakPolarHBondContact O-CZ2 3.42Å; N23-W59 PolarHBondContact ND2-N 3.34Å; I51-W59 HydrophobicContact CD1-CH2 4.22Å; I51-W59 HydrophobicContact CD1-CZ2 3.85Å; V53-W59 HydrophobicContact CG1-CB 4.35Å; V53-W59 HydrophobicContact CG1-CD2 4.48Å; V53-W59 HydrophobicContact CG1-CG 3.87Å; V53-W59 HydrophobicContact CG2-CB 4.28Å; N55-W59 WeakPolarHBondContact O-CB 3.42Å; N55-W59 PolarHBondContact O-N 3.38Å; N55-W59 VanDerWaalsContact O-N 3.09Å; V57-W59 VanDerWaalsContact C-N 3.29Å; V57-W59 PolarHBondContact O-N 3.42Å; W59-K62 PolarHBondContact O-N 3.02Å; W59-N63 HydrophobicContact CD2-CB 4.48Å; W59-N63 HydrophobicContact CE3-CB 4.01Å; W59-N63 HydrophobicContact CH2-CB 3.98Å; W59-N63 WeakPolarHBondContact CH2-ND2 3.33Å; W59-N63 HydrophobicContact CZ2-CB 4.43Å; W59-N63 HydrophobicContact CZ3-CB 3.72Å; W59-N63 WeakPolarHBondContact CZ3-ND2 3.43Å; W59-N63 VanDerWaalsContact O-CB 3.32Å; W59-N63 WeakPolarHBondContact O-CB 3.47Å; W59-N63 PolarHBondContact O-N 2.92Å; W59-Y71 WeakPolarHBondContact CZ3-OH 3.45Å; W59-Y120 HydrophobicContact CH2-CD2 4.13Å; W59-Y120 AromaticContact CH2-CE2 3.52Å; W59-Y120 HydrophobicContact CH2-CE2 3.52Å; W59-Y120 AromaticContact CZ3-CE2 3.92Å; W59-Y120 HydrophobicContact CZ3-CE2 3.92Å; W59-V122 HydrophobicContact CD2-CG1 4.24Å; W59-V122 HydrophobicContact CD2-CG2 4.39Å; W59-V122 HydrophobicContact CE3-CB 4.43Å; W59-V122 HydrophobicContact CE3-CG1 4.03Å; W59-V122 HydrophobicContact CE3-CG2 3.75Å; W59-V122 HydrophobicContact CH2-CG2 3.73Å; W59-V122 HydrophobicContact CZ2-CG2 4.36Å; W59-V122 HydrophobicContact CZ3-CB 4.49Å; W59-V122 HydrophobicContact CZ3-CG2 3.41Å; W59-V122 VanDerWaalsContact CZ3-CG2 3.41Å
60H90.4Very high91.3Very high4 Ų440.1 Ų40.12%0.01920%0.202CC..Hα-helixtrans-65.7-41.9179.5-80.1-53000112.4P56 V57 E58 K62 N63 I64 Y71 L87 Y100P56-H60 WeakPolarHBondContact O-CB 3.22Å; P56-H60 PolarHBondContact O-CD2 2.65Å; P56-H60 PolarHBondContact O-N 2.76Å; V57-H60 PolarHBondContact O-N 3.15Å; V57-H60 VanDerWaalsContact O-N 3.17Å; E58-H60 PolarHBondContact O-N 3.41Å; H60-K62 VanDerWaalsContact C-N 3.34Å; H60-K62 PolarHBondContact O-N 3.4Å; H60-N63 PolarHBondContact O-N 3.09Å; H60-I64 WeakPolarHBondContact O-CB 3.47Å; H60-I64 WeakPolarHBondContact O-CD1 3.39Å; H60-I64 WeakPolarHBondContact O-CG1 3.46Å; H60-I64 PolarHBondContact O-N 3.39Å; H60-Y71 AromaticContact ND1-CE1 3.54Å; H60-Y71 AromaticContact ND1-CZ 3.63Å; H60-Y71 PolarHBondContact ND1-OH 3.42Å; H60-L87 HydrophobicContact CB-CD1 4.28Å; H60-L87 HydrophobicContact CB-CD2 4.19Å; H60-Y100 AromaticContact CE1-CD1 3.45Å; H60-Y100 VanDerWaalsContact CE1-CD1 3.45Å; H60-Y100 WeakPolarHBondContact CE1-CD1 3.02Å; H60-Y100 AromaticContact CE1-CG 3.72Å; H60-Y100 WeakPolarHBondContact NE2-CB 3.41Å; H60-Y100 AromaticContact NE2-CD1 3.86Å; H60-Y100 AromaticContact NE2-CG 3.62Å
61L87.7Confident91Very high42 Ų4240.4 Ų40.422%0.2220%0.203CC..Hα-helixtrans-57.8-48.4177-71.7167.5000111.3V57 E58 I64 S65 S84 L87V57-L61 HydrophobicContact CG1-CD1 4.1Å; V57-L61 WeakPolarHBondContact O-CG 3.21Å; V57-L61 PolarHBondContact O-N 3.07Å; E58-L61 PolarHBondContact O-N 3.17Å; L61-I64 PolarHBondContact O-N 2.92Å; L61-S65 PolarHBondContact O-N 3.13Å; L61-S65 VanDerWaalsContact O-N 3.15Å; L61-S84 VanDerWaalsContact CD1-OG 3.24Å; L61-S84 WeakPolarHBondContact CD1-OG 3.17Å; L61-L87 HydrophobicContact CD2-CD1 3.55Å; L61-L87 HydrophobicContact CG-CD1 3.87Å
62K89.9Confident90.7Very high79 Ų7941.3 Ų41.334%0.34321%0.208SC..Hα-helixtrans-64.5-44.6179.1-169.6170.8-171.3174.60112.1T19 D20 E58 W59 H60 I64 S65 E66T19-K62 WeakPolarHBondContact O-CE 3.29Å; T19-K62 PolarHBondContact O-NZ 2.89Å; D20-K62 HydrophobicContact CB-CD 4.08Å; E58-K62 PolarHBondContact O-N 2.89Å; E58-K62 VanDerWaalsContact O-N 3.14Å; W59-K62 PolarHBondContact O-N 3.02Å; H60-K62 VanDerWaalsContact C-N 3.34Å; H60-K62 PolarHBondContact O-N 3.4Å; K62-I64 VanDerWaalsContact C-N 3.28Å; K62-I64 PolarHBondContact O-N 3.37Å; K62-S65 PolarHBondContact O-N 3.38Å; K62-S65 PolarHBondContact O-OG 3.19Å; K62-E66 WeakPolarHBondContact CE-OE1 3.41Å; K62-E66 PolarHBondContact O-N 3.27Å
63N92.2Very high90.2Very high0 Ų047.9 Ų47.90%024%0.237CC..Hα-helixtrans-71.1-23.6178.8-170.238000112.7T19 W59 H60 N67 Y71 Y120T19-N63 HydrophobicContact CG2-CB 4.37Å; W59-N63 HydrophobicContact CD2-CB 4.48Å; W59-N63 HydrophobicContact CE3-CB 4.01Å; W59-N63 HydrophobicContact CH2-CB 3.98Å; W59-N63 WeakPolarHBondContact CH2-ND2 3.33Å; W59-N63 HydrophobicContact CZ2-CB 4.43Å; W59-N63 HydrophobicContact CZ3-CB 3.72Å; W59-N63 WeakPolarHBondContact CZ3-ND2 3.43Å; W59-N63 VanDerWaalsContact O-CB 3.32Å; W59-N63 WeakPolarHBondContact O-CB 3.47Å; W59-N63 PolarHBondContact O-N 2.92Å; H60-N63 PolarHBondContact O-N 3.09Å; N63-N67 CarbonylContact O-C 3.39Å; N63-N67 VanDerWaalsContact O-CA 3.29Å; N63-N67 WeakPolarHBondContact O-CA 3.38Å; N63-N67 WeakPolarHBondContact O-CB 3.19Å; N63-N67 PolarHBondContact O-N 3.26Å; N63-N67 WeakPolarHBondContact OD1-CB 3.33Å; N63-N67 PolarHBondContact OD1-ND2 3.41Å; N63-Y71 HydrophobicContact CB-CE2 4.41Å; N63-Y71 PolarHBondContact ND2-OH 3.13Å; N63-Y71 VanDerWaalsContact ND2-OH 3.15Å; N63-Y120 PolarHBondContact ND2-OH 3.08Å
64I90Very high89.8Confident5 Ų552.1 Ų52.13%0.02626%0.262CS..Hα-helixtrans-69.8-38170.6-74.7165.9000110.8H60 L61 K62 P68 Y71 V75 R76 A79 L87H60-I64 WeakPolarHBondContact O-CB 3.47Å; H60-I64 WeakPolarHBondContact O-CD1 3.39Å; H60-I64 WeakPolarHBondContact O-CG1 3.46Å; H60-I64 PolarHBondContact O-N 3.39Å; L61-I64 PolarHBondContact O-N 2.92Å; K62-I64 VanDerWaalsContact C-N 3.28Å; K62-I64 PolarHBondContact O-N 3.37Å; I64-P68 WeakPolarHBondContact O-CA 3.15Å; I64-P68 WeakPolarHBondContact O-CB 3.32Å; I64-P68 WeakPolarHBondContact O-CD 3.38Å; I64-Y71 HydrophobicContact CB-CD2 4.35Å; I64-Y71 HydrophobicContact CB-CE2 4.3Å; I64-Y71 HydrophobicContact CD1-CD1 4.07Å; I64-Y71 HydrophobicContact CD1-CE1 4.08Å; I64-Y71 HydrophobicContact CD1-CG 4.3Å; I64-Y71 HydrophobicContact CG1-CD1 3.82Å; I64-Y71 HydrophobicContact CG1-CD2 3.43Å; I64-Y71 VanDerWaalsContact CG1-CD2 3.43Å; I64-Y71 HydrophobicContact CG1-CE1 3.79Å; I64-Y71 HydrophobicContact CG1-CE2 3.41Å; I64-Y71 VanDerWaalsContact CG1-CE2 3.41Å; I64-Y71 HydrophobicContact CG1-CG 3.65Å; I64-V75 HydrophobicContact CD1-CG1 4.38Å; I64-R76 HydrophobicContact CG2-CG 4.29Å; I64-A79 HydrophobicContact CD1-CB 3.6Å; I64-A79 HydrophobicContact CG2-CB 4.36Å; I64-L87 HydrophobicContact CD1-CD1 4.05Å
65S88.1Confident89.3Confident86 Ų8646.1 Ų46.160%0.60124%0.241SC*.Hα-helixtrans-69.3-4017652.40000112.6L61 K62L61-S65 PolarHBondContact O-N 3.13Å; L61-S65 VanDerWaalsContact O-N 3.15Å; K62-S65 PolarHBondContact O-N 3.38Å; K62-S65 PolarHBondContact O-OG 3.19Å
66E90.2Very high89Confident93 Ų9345.6 Ų45.644%0.43524%0.235SC..Hα-helixtrans-83.4-38.8-177.4-66.1177.9-160.700112.4T19 K62 P68T19-E66 WeakPolarHBondContact CB-OE2 3.31Å; T19-E66 WeakPolarHBondContact CG2-OE2 3.42Å; K62-E66 WeakPolarHBondContact CE-OE1 3.41Å; K62-E66 PolarHBondContact O-N 3.27Å; E66-P68 WeakPolarHBondContact O-CD 3.5Å
67N91.6Very high88.5Confident42 Ų4247.9 Ų47.923%0.22525%0.247CC..  trans-127.859.5-175.8-59.2-71.6000112.4N63 N69 H70N63-N67 CarbonylContact O-C 3.39Å; N63-N67 VanDerWaalsContact O-CA 3.29Å; N63-N67 WeakPolarHBondContact O-CA 3.38Å; N63-N67 WeakPolarHBondContact O-CB 3.19Å; N63-N67 PolarHBondContact O-N 3.26Å; N63-N67 WeakPolarHBondContact OD1-CB 3.33Å; N63-N67 PolarHBondContact OD1-ND2 3.41Å; N67-N69 PolarHBondContact O-N 3.01Å; N67-H70 HydrophobicContact CB-CB 4.45Å; N67-H70 WeakPolarHBondContact CB-ND1 3.09Å; N67-H70 WeakPolarHBondContact O-CB 3.43Å; N67-H70 PolarHBondContact O-N 3.48Å
68P90.4Very high88Confident37 Ų3753.7 Ų53.724%0.2427%0.269CS..G310 helixtrans-57.4-31.2-17419-31.3000113.7I64 E66 H70 Y71 R76I64-P68 WeakPolarHBondContact O-CA 3.15Å; I64-P68 WeakPolarHBondContact O-CB 3.32Å; I64-P68 WeakPolarHBondContact O-CD 3.38Å; E66-P68 WeakPolarHBondContact O-CD 3.5Å; P68-H70 VanDerWaalsContact C-N 3.25Å; P68-H70 PolarHBondContact O-N 3.12Å; P68-Y71 PolarHBondContact O-N 2.68Å; P68-R76 HydrophobicContact CB-CG 4.24Å; P68-R76 WeakPolarHBondContact O-CD 3.19Å
69N90.8Very high87.6Confident113 Ų11349.5 Ų49.560%0.60425%0.25SS*.G310 helixtrans-77.2-9.1-177.2-63.7-31.9000113.6N67 Y71 R76 R349N67-N69 PolarHBondContact O-N 3.01Å; N69-Y71 VanDerWaalsContact C-N 3.28Å; N69-R76 PolarHBondContact OD1-NH1 2.72Å; N69-R349 PolarHBondContact O-NH2 2.94Å
70H92Very high87Confident28 Ų2855 Ų5513%0.1328%0.276CS..G310 helixtrans-71.2-29.4171.6-67.4-175.9000111.6N67 P68 N102 I105 Y120 R349N67-H70 HydrophobicContact CB-CB 4.45Å; N67-H70 WeakPolarHBondContact CB-ND1 3.09Å; N67-H70 WeakPolarHBondContact O-CB 3.43Å; N67-H70 PolarHBondContact O-N 3.48Å; P68-H70 VanDerWaalsContact C-N 3.25Å; P68-H70 PolarHBondContact O-N 3.12Å; H70-N102 PolarHBondContact O-OD1 3.06Å; H70-I105 HydrophobicContact CB-CD1 3.92Å; H70-I105 VanDerWaalsContact NE2-CG2 3.33Å; H70-I105 WeakPolarHBondContact NE2-CG2 3.43Å; H70-Y120 WeakPolarHBondContact CB-OH 3.28Å; H70-Y120 AromaticContact ND1-CE1 3.71Å; H70-Y120 AromaticContact ND1-CZ 3.8Å; H70-Y120 PolarHBondContact ND1-OH 2.8Å; H70-R349 PolarHBondContact O-NH1 3.24Å
71Y90.3Very high86.5Confident6 Ų661.9 Ų61.92%0.02431%0.306CS..SBendtrans-92.9151.7-178.3-62.5-96.3000110.8W59 H60 N63 I64 P68 N69 V75 Y100 N102W59-Y71 WeakPolarHBondContact CZ3-OH 3.45Å; H60-Y71 AromaticContact ND1-CE1 3.54Å; H60-Y71 AromaticContact ND1-CZ 3.63Å; H60-Y71 PolarHBondContact ND1-OH 3.42Å; N63-Y71 HydrophobicContact CB-CE2 4.41Å; N63-Y71 PolarHBondContact ND2-OH 3.13Å; N63-Y71 VanDerWaalsContact ND2-OH 3.15Å; I64-Y71 HydrophobicContact CB-CD2 4.35Å; I64-Y71 HydrophobicContact CB-CE2 4.3Å; I64-Y71 HydrophobicContact CD1-CD1 4.07Å; I64-Y71 HydrophobicContact CD1-CE1 4.08Å; I64-Y71 HydrophobicContact CD1-CG 4.3Å; I64-Y71 HydrophobicContact CG1-CD1 3.82Å; I64-Y71 HydrophobicContact CG1-CD2 3.43Å; I64-Y71 VanDerWaalsContact CG1-CD2 3.43Å; I64-Y71 HydrophobicContact CG1-CE1 3.79Å; I64-Y71 HydrophobicContact CG1-CE2 3.41Å; I64-Y71 VanDerWaalsContact CG1-CE2 3.41Å; I64-Y71 HydrophobicContact CG1-CG 3.65Å; P68-Y71 PolarHBondContact O-N 2.68Å; N69-Y71 VanDerWaalsContact C-N 3.28Å; Y71-V75 HydrophobicContact CD1-CG1 4.05Å; Y71-Y100 AromaticContact CD1-CE1 3.87Å; Y71-Y100 HydrophobicContact CD1-CE1 3.87Å; Y71-Y100 HydrophobicContact CE1-CD1 4.42Å; Y71-Y100 AromaticContact CE1-CE1 3.73Å; Y71-Y100 HydrophobicContact CE1-CE1 3.73Å; Y71-N102 WeakPolarHBondContact CE1-ND2 3.38Å
72N87.5Confident85.9Confident20 Ų2064.2 Ų64.211%0.10731%0.312CS..  trans-66.8153.917175.976.5000110.4V74 V75 R76 F343 S344N72-V74 PolarHBondContact O-N 3.38Å; N72-V74 WeakPolarHBondContact OD1-CB 3.44Å; N72-V74 PolarHBondContact OD1-N 3.42Å; N72-V75 WeakPolarHBondContact ND2-CG2 3.3Å; N72-V75 PolarHBondContact O-N 3.32Å; N72-V75 PolarHBondContact OD1-N 3.2Å; N72-R76 PolarHBondContact O-N 3.49Å; N72-F343 PolarHBondContact ND2-O 3.49Å; N72-F343 VanDerWaalsContact ND2-O 3.11Å; N72-S344 PolarHBondContact ND2-O 3.4Å
73F85.4Confident85.1Confident139 Ų13967 Ų6761%0.6133%0.327SS*.Hα-helixtrans-52.7-40-175.5179.7-99.1000113.4N77F73-N77 WeakPolarHBondContact CD1-ND2 3.44Å; F73-N77 WeakPolarHBondContact CE1-ND2 3.21Å; F73-N77 WeakPolarHBondContact CE2-ND2 3.44Å; F73-N77 WeakPolarHBondContact CZ-ND2 3.34Å; F73-N77 WeakPolarHBondContact O-CB 3.26Å; F73-N77 PolarHBondContact O-N 2.89Å; F73-N77 VanDerWaalsContact O-N 3.07Å; F73-N77 PolarHBondContact O-ND2 3.22Å
74V83Confident83.8Confident88 Ų8869.2 Ų69.253%0.53334%0.342SS..Hα-helixtrans-65.6-51.9-178.5-179.40000110.2N72 R76 N77 Y78N72-V74 PolarHBondContact O-N 3.38Å; N72-V74 WeakPolarHBondContact OD1-CB 3.44Å; N72-V74 PolarHBondContact OD1-N 3.42Å; V74-R76 PolarHBondContact O-N 3.17Å; V74-N77 PolarHBondContact O-N 2.81Å; V74-Y78 VanDerWaalsContact O-CB 3.3Å; V74-Y78 WeakPolarHBondContact O-CB 3.24Å; V74-Y78 PolarHBondContact O-N 3.24Å
75V82.9Confident82.5Confident14 Ų1472.7 Ų72.79%0.08537%0.367CS..Hα-helixtrans-62.7-44.4-179.1171.80000111.2I64 Y71 N72 N77 Y78 A79 F343I64-V75 HydrophobicContact CD1-CG1 4.38Å; Y71-V75 HydrophobicContact CD1-CG1 4.05Å; N72-V75 WeakPolarHBondContact ND2-CG2 3.3Å; N72-V75 PolarHBondContact O-N 3.32Å; N72-V75 PolarHBondContact OD1-N 3.2Å; V75-N77 PolarHBondContact O-N 3.43Å; V75-Y78 PolarHBondContact O-N 2.79Å; V75-A79 WeakPolarHBondContact O-CB 3.32Å; V75-A79 PolarHBondContact O-N 3.27Å; V75-F343 HydrophobicContact CG2-CD1 4.4Å; V75-F343 HydrophobicContact CG2-CE1 3.67Å; V75-F343 HydrophobicContact CG2-CZ 4.22Å
76R85.1Confident81Confident50 Ų5069.4 Ų69.419%0.18934%0.344CS..Hα-helixtrans-57.2-52.5178.2177.3-179.969.1-169.79.3111.8I64 P68 N69 N72 V74 Y78 A79 Q80I64-R76 HydrophobicContact CG2-CG 4.29Å; P68-R76 HydrophobicContact CB-CG 4.24Å; P68-R76 WeakPolarHBondContact O-CD 3.19Å; N69-R76 PolarHBondContact OD1-NH1 2.72Å; N72-R76 PolarHBondContact O-N 3.49Å; V74-R76 PolarHBondContact O-N 3.17Å; R76-Y78 VanDerWaalsContact C-N 3.33Å; R76-Y78 PolarHBondContact O-N 3.17Å; R76-A79 PolarHBondContact O-N 3.06Å; R76-Q80 WeakPolarHBondContact O-CG 3.39Å; R76-Q80 PolarHBondContact O-N 3.28Å
77N82Confident80Confident54 Ų5465.5 Ų65.529%0.28933%0.326SS..Hα-helixtrans-69.8-34.5-175.4-64.9-11.3000111.8F73 V74 V75 Q80 K81F73-N77 WeakPolarHBondContact CD1-ND2 3.44Å; F73-N77 WeakPolarHBondContact CE1-ND2 3.21Å; F73-N77 WeakPolarHBondContact CE2-ND2 3.44Å; F73-N77 WeakPolarHBondContact CZ-ND2 3.34Å; F73-N77 WeakPolarHBondContact O-CB 3.26Å; F73-N77 PolarHBondContact O-N 2.89Å; F73-N77 VanDerWaalsContact O-N 3.07Å; F73-N77 PolarHBondContact O-ND2 3.22Å; V74-N77 PolarHBondContact O-N 2.81Å; V75-N77 PolarHBondContact O-N 3.43Å; N77-Q80 PolarHBondContact O-N 3.31Å; N77-K81 WeakPolarHBondContact O-CB 3.09Å; N77-K81 PolarHBondContact O-N 2.96Å
78Y78.5Confident78.9Confident131 Ų13168.4 Ų68.451%0.51434%0.338SS..Hα-helixtrans-67.7-43.5177-153.7-90.3000111.4V74 V75 R76 Q80 K81 Y82V74-Y78 VanDerWaalsContact O-CB 3.3Å; V74-Y78 WeakPolarHBondContact O-CB 3.24Å; V74-Y78 PolarHBondContact O-N 3.24Å; V75-Y78 PolarHBondContact O-N 2.79Å; R76-Y78 VanDerWaalsContact C-N 3.33Å; R76-Y78 PolarHBondContact O-N 3.17Å; Y78-Q80 PolarHBondContact O-N 3.4Å; Y78-K81 PolarHBondContact O-N 2.94Å; Y78-Y82 AromaticContact CD1-CD2 3.6Å; Y78-Y82 HydrophobicContact CD1-CD2 3.6Å; Y78-Y82 HydrophobicContact CD1-CE2 4.26Å; Y78-Y82 HydrophobicContact CD1-CG 4.48Å; Y78-Y82 AromaticContact CD2-CD2 3.92Å; Y78-Y82 HydrophobicContact CD2-CD2 3.92Å; Y78-Y82 AromaticContact CD2-CE2 3.76Å; Y78-Y82 HydrophobicContact CD2-CE2 3.76Å; Y78-Y82 AromaticContact CE1-CD2 3.45Å; Y78-Y82 HydrophobicContact CE1-CD2 3.45Å; Y78-Y82 VanDerWaalsContact CE1-CD2 3.45Å; Y78-Y82 AromaticContact CE1-CE2 3.95Å; Y78-Y82 HydrophobicContact CE1-CE2 3.95Å; Y78-Y82 HydrophobicContact CE1-CG 4.17Å; Y78-Y82 AromaticContact CE2-CD2 3.8Å; Y78-Y82 HydrophobicContact CE2-CD2 3.8Å; Y78-Y82 AromaticContact CE2-CE2 3.42Å; Y78-Y82 HydrophobicContact CE2-CE2 3.42Å; Y78-Y82 VanDerWaalsContact CE2-CE2 3.42Å; Y78-Y82 AromaticContact CG-CD2 3.83Å; Y78-Y82 HydrophobicContact CG-CD2 3.83Å; Y78-Y82 HydrophobicContact CG-CE2 4.17Å; Y78-Y82 AromaticContact CZ-CD2 3.55Å; Y78-Y82 AromaticContact CZ-CE2 3.51Å; Y78-Y82 WeakPolarHBondContact O-CD2 3.21Å; Y78-Y82 PolarHBondContact O-N 3.46Å
79A79.9Confident77.6Confident7 Ų768.2 Ų68.26%0.05834%0.34CS..Hα-helixtrans-63-40.6174.900000112.1I64 V75 R76 K81 Q83 L87I64-A79 HydrophobicContact CD1-CB 3.6Å; I64-A79 HydrophobicContact CG2-CB 4.36Å; V75-A79 WeakPolarHBondContact O-CB 3.32Å; V75-A79 PolarHBondContact O-N 3.27Å; R76-A79 PolarHBondContact O-N 3.06Å; A79-K81 VanDerWaalsContact C-N 3.3Å; A79-K81 PolarHBondContact O-N 3.46Å; A79-Q83 VanDerWaalsContact O-CA 3.28Å; A79-Q83 WeakPolarHBondContact O-CA 3.15Å; A79-Q83 PolarHBondContact O-N 2.94Å; A79-L87 HydrophobicContact CB-CD1 4.03Å
80Q78.4Confident76.4Confident118 Ų11865.2 Ų65.255%0.55132%0.321SS*.Hα-helixtrans-62.8-36.2174.8-75.2175.2-9.600112.5R76 N77 Y78R76-Q80 WeakPolarHBondContact O-CG 3.39Å; R76-Q80 PolarHBondContact O-N 3.28Å; N77-Q80 PolarHBondContact O-N 3.31Å; Y78-Q80 PolarHBondContact O-N 3.4Å
81K79.8Confident75.3Confident147 Ų14765.9 Ų65.964%0.63933%0.325SS*.Hα-helixtrans-78.7-35.8-178.6-173.2172.5178.4-170.20113.6N77 Y78 A79N77-K81 WeakPolarHBondContact O-CB 3.09Å; N77-K81 PolarHBondContact O-N 2.96Å; Y78-K81 PolarHBondContact O-N 2.94Å; A79-K81 VanDerWaalsContact C-N 3.3Å; A79-K81 PolarHBondContact O-N 3.46Å
82Y75.7Confident74.3Confident91 Ų9169.5 Ų69.536%0.35735%0.351SS..Hα-helixtrans-121.2-0.3-168.2-60.4-73.5000114.9Y78 S85Y78-Y82 AromaticContact CD1-CD2 3.6Å; Y78-Y82 HydrophobicContact CD1-CD2 3.6Å; Y78-Y82 HydrophobicContact CD1-CE2 4.26Å; Y78-Y82 HydrophobicContact CD1-CG 4.48Å; Y78-Y82 AromaticContact CD2-CD2 3.92Å; Y78-Y82 HydrophobicContact CD2-CD2 3.92Å; Y78-Y82 AromaticContact CD2-CE2 3.76Å; Y78-Y82 HydrophobicContact CD2-CE2 3.76Å; Y78-Y82 AromaticContact CE1-CD2 3.45Å; Y78-Y82 HydrophobicContact CE1-CD2 3.45Å; Y78-Y82 VanDerWaalsContact CE1-CD2 3.45Å; Y78-Y82 AromaticContact CE1-CE2 3.95Å; Y78-Y82 HydrophobicContact CE1-CE2 3.95Å; Y78-Y82 HydrophobicContact CE1-CG 4.17Å; Y78-Y82 AromaticContact CE2-CD2 3.8Å; Y78-Y82 HydrophobicContact CE2-CD2 3.8Å; Y78-Y82 AromaticContact CE2-CE2 3.42Å; Y78-Y82 HydrophobicContact CE2-CE2 3.42Å; Y78-Y82 VanDerWaalsContact CE2-CE2 3.42Å; Y78-Y82 AromaticContact CG-CD2 3.83Å; Y78-Y82 HydrophobicContact CG-CD2 3.83Å; Y78-Y82 HydrophobicContact CG-CE2 4.17Å; Y78-Y82 AromaticContact CZ-CD2 3.55Å; Y78-Y82 AromaticContact CZ-CE2 3.51Å; Y78-Y82 WeakPolarHBondContact O-CD2 3.21Å; Y78-Y82 PolarHBondContact O-N 3.46Å; Y82-S85 PolarHBondContact O-OG 3.45Å
83Q73.3Confident73.6Confident138 Ų13878.3 Ų78.365%0.64538%0.382SS*.Hα-helixtrans47.8-139.1179.3-55.5179.72000112.3A79 S85 S86A79-Q83 VanDerWaalsContact O-CA 3.28Å; A79-Q83 WeakPolarHBondContact O-CA 3.15Å; A79-Q83 PolarHBondContact O-N 2.94Å; Q83-S85 PolarHBondContact O-N 3.01Å; Q83-S86 PolarHBondContact O-N 3.36Å; Q83-S86 PolarHBondContact O-OG 3.2Å
84S65.7Low73.1Confident46 Ų4673.3 Ų73.332%0.32236%0.362SS..Hα-helixtrans-61.9-40.2-170.6-41.60000114.4L61 S86 L87 E88L61-S84 VanDerWaalsContact CD1-OG 3.24Å; L61-S84 WeakPolarHBondContact CD1-OG 3.17Å; S84-S86 PolarHBondContact O-N 2.95Å; S84-L87 PolarHBondContact O-N 2.85Å; S84-E88 WeakPolarHBondContact O-CB 3.39Å; S84-E88 WeakPolarHBondContact O-CG 3.49Å; S84-E88 PolarHBondContact O-N 3.05Å
85S61Low72.9Confident78 Ų7872.7 Ų72.755%0.54536%0.36SS..Hα-helixtrans-55.4-30.8-175.164.60000113.5Y82 Q83 A89Y82-S85 PolarHBondContact O-OG 3.45Å; Q83-S85 PolarHBondContact O-N 3.01Å; S85-A89 VanDerWaalsContact O-CB 3.32Å; S85-A89 WeakPolarHBondContact O-CB 3.47Å; S85-A89 PolarHBondContact O-N 2.9Å; S85-A89 VanDerWaalsContact O-N 3.15Å
86S58.6Low73Confident18 Ų1872.4 Ų72.413%0.12636%0.359CS..Hα-helixtrans-80.9-44.1-178.465.30000114.3Q83 S84 E88 A89 F90Q83-S86 PolarHBondContact O-N 3.36Å; Q83-S86 PolarHBondContact O-OG 3.2Å; S84-S86 PolarHBondContact O-N 2.95Å; S86-E88 VanDerWaalsContact C-N 3.33Å; S86-A89 PolarHBondContact O-N 3.47Å; S86-F90 WeakPolarHBondContact O-CB 3.35Å; S86-F90 PolarHBondContact O-N 3.14Å
87L68.4Low73Confident11 Ų1170.3 Ų70.36%0.05835%0.352CS..Hα-helixtrans-70.3-34.1176.8-90.2153.4000110.5V57 H60 L61 I64 A79 S84 F90 H91V57-L87 HydrophobicContact CG1-CB 3.86Å; V57-L87 HydrophobicContact CG2-CB 4.43Å; H60-L87 HydrophobicContact CB-CD1 4.28Å; H60-L87 HydrophobicContact CB-CD2 4.19Å; L61-L87 HydrophobicContact CD2-CD1 3.55Å; L61-L87 HydrophobicContact CG-CD1 3.87Å; I64-L87 HydrophobicContact CD1-CD1 4.05Å; A79-L87 HydrophobicContact CB-CD1 4.03Å; S84-L87 PolarHBondContact O-N 2.85Å; L87-F90 PolarHBondContact O-N 3.39Å; L87-H91 WeakPolarHBondContact O-CB 3.34Å; L87-H91 PolarHBondContact O-N 3.15Å
88E67.4Low73.3Confident102 Ų10270.4 Ų70.448%0.47735%0.35SS..Hα-helixtrans-64.2-46.6171.6-72.7174.1-174.900112V57 S84 S86 F90 H91 S92V57-E88 HydrophobicContact CB-CG 4.21Å; V57-E88 HydrophobicContact CG1-CG 3.63Å; V57-E88 HydrophobicContact CG2-CG 3.86Å; S84-E88 WeakPolarHBondContact O-CB 3.39Å; S84-E88 WeakPolarHBondContact O-CG 3.49Å; S84-E88 PolarHBondContact O-N 3.05Å; S86-E88 VanDerWaalsContact C-N 3.33Å; E88-F90 VanDerWaalsContact C-N 3.28Å; E88-F90 PolarHBondContact O-N 3.04Å; E88-H91 PolarHBondContact O-N 3.46Å; E88-S92 WeakPolarHBondContact O-CB 3.32Å; E88-S92 PolarHBondContact O-N 3.41Å; E88-S92 PolarHBondContact O-OG 3.47Å
89A63Low74Confident33 Ų3364.2 Ų64.227%0.27333%0.326SS..Hα-helixtrans-61.4-38.7175.600000111.6S85 S86 S92 R93S85-A89 VanDerWaalsContact O-CB 3.32Å; S85-A89 WeakPolarHBondContact O-CB 3.47Å; S85-A89 PolarHBondContact O-N 2.9Å; S85-A89 VanDerWaalsContact O-N 3.15Å; S86-A89 PolarHBondContact O-N 3.47Å; A89-S92 WeakPolarHBondContact CA-OG 3.5Å; A89-S92 PolarHBondContact O-OG 3.39Å; A89-R93 VanDerWaalsContact O-CB 3.26Å; A89-R93 WeakPolarHBondContact O-CB 3.32Å; A89-R93 WeakPolarHBondContact O-CD 3.38Å; A89-R93 WeakPolarHBondContact O-CG 3.48Å; A89-R93 PolarHBondContact O-N 3.05Å
90F66.7Low74.6Confident50 Ų5064.3 Ų64.322%0.21933%0.325CS..Hα-helixtrans-66.2-48.6175.1-175.2-96.4000111.6S86 L87 E88 R93 I94 Y100 L340 F343S86-F90 WeakPolarHBondContact O-CB 3.35Å; S86-F90 PolarHBondContact O-N 3.14Å; L87-F90 PolarHBondContact O-N 3.39Å; E88-F90 VanDerWaalsContact C-N 3.28Å; E88-F90 PolarHBondContact O-N 3.04Å; F90-R93 PolarHBondContact O-N 3.27Å; F90-I94 HydrophobicContact CD1-CD1 3.43Å; F90-I94 VanDerWaalsContact CD1-CD1 3.43Å; F90-I94 HydrophobicContact CD2-CD1 3.49Å; F90-I94 VanDerWaalsContact CD2-CD1 3.49Å; F90-I94 HydrophobicContact CE1-CD1 3.16Å; F90-I94 HydrophobicContact CE2-CD1 3.2Å; F90-I94 HydrophobicContact CE2-CG1 4.42Å; F90-I94 HydrophobicContact CG-CD1 3.58Å; F90-I94 HydrophobicContact CZ-CD1 3.02Å; F90-I94 HydrophobicContact CZ-CG1 4.47Å; F90-I94 WeakPolarHBondContact O-CD1 3.45Å; F90-I94 WeakPolarHBondContact O-CG1 3.35Å; F90-I94 PolarHBondContact O-N 2.98Å; F90-Y100 HydrophobicContact CE1-CD2 4.1Å; F90-Y100 HydrophobicContact CE1-CE2 4.15Å; F90-L340 HydrophobicContact CE1-CD1 3.74Å; F90-L340 HydrophobicContact CZ-CD1 3.59Å; F90-F343 AromaticContact CD2-CE1 3.92Å; F90-F343 HydrophobicContact CD2-CE1 3.92Å; F90-F343 HydrophobicContact CD2-CZ 4.2Å; F90-F343 HydrophobicContact CE1-CD1 4.37Å; F90-F343 HydrophobicContact CE1-CE1 4.32Å; F90-F343 AromaticContact CE2-CD1 3.35Å; F90-F343 HydrophobicContact CE2-CD1 3.35Å; F90-F343 HydrophobicContact CE2-CD2 4.49Å; F90-F343 AromaticContact CE2-CE1 3.05Å; F90-F343 HydrophobicContact CE2-CE1 3.05Å; F90-F343 HydrophobicContact CE2-CE2 4.26Å; F90-F343 HydrophobicContact CE2-CG 4.07Å; F90-F343 AromaticContact CE2-CZ 3.56Å; F90-F343 HydrophobicContact CE2-CZ 3.56Å; F90-F343 AromaticContact CZ-CD1 3.22Å; F90-F343 HydrophobicContact CZ-CD1 3.22Å; F90-F343 AromaticContact CZ-CE1 3.3Å; F90-F343 HydrophobicContact CZ-CE1 3.3Å; F90-F343 HydrophobicContact CZ-CG 4.14Å; F90-F343 HydrophobicContact CZ-CZ 4.26Å
91H68.9Low75.3Confident43 Ų4359.6 Ų59.620%0.19930%0.302CS..Hα-helixtrans-70.1-33.5-177.1-162.4-97.9000113.1V57 L87 E88 K98V57-H91 HydrophobicContact CG2-CB 4.02Å; L87-H91 WeakPolarHBondContact O-CB 3.34Å; L87-H91 PolarHBondContact O-N 3.15Å; E88-H91 PolarHBondContact O-N 3.46Å; H91-K98 PolarHBondContact O-NZ 2.97Å
92S69.8Low75.8Confident81 Ų8152.6 Ų52.657%0.56627%0.271SS*.Hα-helixtrans-73.9-36.9177.257.70000112.6E88 A89E88-S92 WeakPolarHBondContact O-CB 3.32Å; E88-S92 PolarHBondContact O-N 3.41Å; E88-S92 PolarHBondContact O-OG 3.47Å; A89-S92 WeakPolarHBondContact CA-OG 3.5Å; A89-S92 PolarHBondContact O-OG 3.39Å
93R72.7Confident76.5Confident205 Ų20548.6 Ų48.677%0.77426%0.257SS*.Hα-helixtrans-89.2-16.2-173.2-66.9177-178.71761114.8A89 F90 P95A89-R93 VanDerWaalsContact O-CB 3.26Å; A89-R93 WeakPolarHBondContact O-CB 3.32Å; A89-R93 WeakPolarHBondContact O-CD 3.38Å; A89-R93 WeakPolarHBondContact O-CG 3.48Å; A89-R93 PolarHBondContact O-N 3.05Å; F90-R93 PolarHBondContact O-N 3.27Å; R93-P95 VanDerWaalsContact O-CD 3.32Å; R93-P95 WeakPolarHBondContact O-CD 3.28Å
94I73.6Confident77.2Confident34 Ų3444.2 Ų44.217%0.17424%0.236CC..  trans-84.3118.4-175.9-70.1167000110.7F90 K98 L340F90-I94 HydrophobicContact CD1-CD1 3.43Å; F90-I94 VanDerWaalsContact CD1-CD1 3.43Å; F90-I94 HydrophobicContact CD2-CD1 3.49Å; F90-I94 VanDerWaalsContact CD2-CD1 3.49Å; F90-I94 HydrophobicContact CE1-CD1 3.16Å; F90-I94 HydrophobicContact CE2-CD1 3.2Å; F90-I94 HydrophobicContact CE2-CG1 4.42Å; F90-I94 HydrophobicContact CG-CD1 3.58Å; F90-I94 HydrophobicContact CZ-CD1 3.02Å; F90-I94 HydrophobicContact CZ-CG1 4.47Å; F90-I94 WeakPolarHBondContact O-CD1 3.45Å; F90-I94 WeakPolarHBondContact O-CG1 3.35Å; F90-I94 PolarHBondContact O-N 2.98Å; I94-K98 WeakPolarHBondContact O-CE 3.47Å; I94-L340 HydrophobicContact CD1-CD1 3.95Å; I94-L340 HydrophobicContact CG2-CD1 4.38Å; I94-L340 HydrophobicContact CG2-CD2 4.37Å
95P80Confident78.4Confident76 Ų7642.2 Ų42.249%0.49422%0.221SC..  trans-73.8159174.132.5-35.2000111.1R93R93-P95 VanDerWaalsContact O-CD 3.32Å; R93-P95 WeakPolarHBondContact O-CD 3.28Å
96G85.6Confident79.9Confident7 Ų744.9 Ų44.97%0.07223%0.225CC..SBendtrans103.6-159.8171.900000113.5K98 H137G96-K98 WeakPolarHBondContact O-CG 3.38Å; G96-K98 PolarHBondContact O-N 2.92Å; G96-K98 VanDerWaalsContact O-N 3.08Å; G96-H137 VanDerWaalsContact C-NE2 3.29Å; G96-H137 PolarHBondContact O-NE2 2.78Å; G96-H137 VanDerWaalsContact O-NE2 3.09Å
97P84.6Confident81.5Confident7 Ų745.3 Ų45.35%0.04522%0.224CC..  trans-65.2-15.5-170.7-20.330.8000115.6V99 H137 Y139 S333 Q337P97-V99 HydrophobicContact CB-CG2 4.11Å; P97-V99 PolarHBondContact O-N 3.46Å; P97-H137 HydrophobicContact CB-CB 4.45Å; P97-H137 HydrophobicContact CG-CB 3.98Å; P97-Y139 HydrophobicContact CB-CD1 3.59Å; P97-Y139 HydrophobicContact CB-CG 3.74Å; P97-Y139 VanDerWaalsContact CG-CB 3.41Å; P97-Y139 HydrophobicContact CG-CD1 3.91Å; P97-Y139 HydrophobicContact CG-CD2 4.13Å; P97-Y139 HydrophobicContact CG-CG 3.54Å; P97-S333 WeakPolarHBondContact CG-OG 3.47Å; P97-Q337 HydrophobicContact CG-CB 4.08Å; P97-Q337 HydrophobicContact CG-CG 4.41Å
98K88.3Confident82.5Confident56 Ų5647.5 Ų47.524%0.24324%0.24CC..  trans53.834.4-179.9-62.8176.4-176.2-1650113.9H91 I94 G96H91-K98 PolarHBondContact O-NZ 2.97Å; I94-K98 WeakPolarHBondContact O-CE 3.47Å; G96-K98 WeakPolarHBondContact O-CG 3.38Å; G96-K98 PolarHBondContact O-N 2.92Å; G96-K98 VanDerWaalsContact O-N 3.08Å
99V93.3Very high83.6Confident0 Ų042.7 Ų42.70%022%0.218CC..  trans-90.7107.6173.7-168.40000109.3P97 Y101 V122 V123 Y139 L140 Q337P97-V99 HydrophobicContact CB-CG2 4.11Å; P97-V99 PolarHBondContact O-N 3.46Å; V99-Y101 HydrophobicContact CB-CD2 4.33Å; V99-Y101 HydrophobicContact CB-CE2 3.75Å; V99-Y101 HydrophobicContact CG1-CD2 4.01Å; V99-Y101 HydrophobicContact CG1-CE1 4.27Å; V99-Y101 HydrophobicContact CG1-CE2 3.4Å; V99-Y101 WeakPolarHBondContact O-CD2 3.13Å; V99-Y101 PolarHBondContact O-N 2.9Å; V99-V122 WeakPolarHBondContact CA-O 3.49Å; V99-V123 HydrophobicContact CG2-CB 4.21Å; V99-V123 HydrophobicContact CG2-CG2 4.13Å; V99-Y139 HydrophobicContact CB-CE1 4.19Å; V99-Y139 HydrophobicContact CG2-CD1 3.86Å; V99-Y139 HydrophobicContact CG2-CE1 3.87Å; V99-L140 HydrophobicContact CG2-CD1 3.76Å; V99-L140 HydrophobicContact CG2-CD2 4.11Å; V99-L140 HydrophobicContact CG2-CG 3.91Å; V99-Q337 PolarHBondContact O-NE2 3.31Å
100Y92.1Very high84.8Confident9 Ų945.3 Ų45.34%0.03523%0.232CC..EExtended strand (participates in β ladder)trans-83.2115.1179.1-171.3-77.4000110.2H60 Y71 F90 N102 G121 V122 S344H60-Y100 AromaticContact CE1-CD1 3.45Å; H60-Y100 VanDerWaalsContact CE1-CD1 3.45Å; H60-Y100 WeakPolarHBondContact CE1-CD1 3.02Å; H60-Y100 AromaticContact CE1-CG 3.72Å; H60-Y100 WeakPolarHBondContact NE2-CB 3.41Å; H60-Y100 AromaticContact NE2-CD1 3.86Å; H60-Y100 AromaticContact NE2-CG 3.62Å; Y71-Y100 AromaticContact CD1-CE1 3.87Å; Y71-Y100 HydrophobicContact CD1-CE1 3.87Å; Y71-Y100 HydrophobicContact CE1-CD1 4.42Å; Y71-Y100 AromaticContact CE1-CE1 3.73Å; Y71-Y100 HydrophobicContact CE1-CE1 3.73Å; F90-Y100 HydrophobicContact CE1-CD2 4.1Å; F90-Y100 HydrophobicContact CE1-CE2 4.15Å; Y100-N102 WeakPolarHBondContact CE1-OD1 3.27Å; Y100-G121 CarbonylContact O-C 3.49Å; Y100-G121 VanDerWaalsContact O-CA 3.28Å; Y100-G121 WeakPolarHBondContact O-CA 3.46Å; Y100-V122 PolarHBondContact N-O 3.07Å; Y100-V122 PolarHBondContact O-N 3.15Å; Y100-S344 VanDerWaalsContact CE2-CB 3.5Å; Y100-S344 PolarHBondContact OH-O 3.48Å
101Y92Very high86Confident19 Ų1949.1 Ų49.18%0.07525%0.254CS..EExtended strand (participates in β ladder)trans-101.1134.1-178.3-77.4-80.6000113.1Y30 V99 Y120 G121 Y139 S344Y30-Y101 PolarHBondContact OH-OH 2.81Å; V99-Y101 HydrophobicContact CB-CD2 4.33Å; V99-Y101 HydrophobicContact CB-CE2 3.75Å; V99-Y101 HydrophobicContact CG1-CD2 4.01Å; V99-Y101 HydrophobicContact CG1-CE1 4.27Å; V99-Y101 HydrophobicContact CG1-CE2 3.4Å; V99-Y101 WeakPolarHBondContact O-CD2 3.13Å; V99-Y101 PolarHBondContact O-N 2.9Å; Y101-Y120 WeakPolarHBondContact CA-O 3.35Å; Y101-G121 VanDerWaalsContact CE1-CA 3.42Å; Y101-Y139 HydrophobicContact CE2-CE1 4.12Å; Y101-Y139 WeakPolarHBondContact CE2-OH 3.48Å; Y101-S344 WeakPolarHBondContact O-CB 3.42Å; Y101-S344 PolarHBondContact O-OG 2.82Å
102N91.9Very high87Confident0 Ų049.8 Ų49.80%026%0.259CS..EExtended strand (participates in β ladder)trans-109.4107.9163.7-73.1-47.9000109.2H70 Y71 Y100 I105 K119 Y120H70-N102 PolarHBondContact O-OD1 3.06Å; Y71-N102 WeakPolarHBondContact CE1-ND2 3.38Å; Y100-N102 WeakPolarHBondContact CE1-OD1 3.27Å; N102-I105 HydrophobicContact CB-CD1 4.45Å; N102-K119 WeakPolarHBondContact O-CA 2.94Å; N102-Y120 HydrophobicContact CB-CD1 4.13Å; N102-Y120 HydrophobicContact CB-CD2 4.48Å; N102-Y120 HydrophobicContact CB-CE1 3.65Å; N102-Y120 HydrophobicContact CB-CE2 3.97Å; N102-Y120 PolarHBondContact N-O 2.9Å; N102-Y120 WeakPolarHBondContact ND2-CE2 3.44Å; N102-Y120 VanDerWaalsContact ND2-CZ 3.33Å; N102-Y120 PolarHBondContact ND2-OH 2.89Å; N102-Y120 VanDerWaalsContact ND2-OH 3.07Å; N102-Y120 PolarHBondContact O-N 3.08Å; N102-Y120 VanDerWaalsContact O-N 3.1Å
103P90.2Very high87.8Confident8 Ų852.2 Ų52.25%0.05227%0.266CS..EExtended strand (participates in β ladder)trans-95.4162-179.136.4-34.1000113.2K119 A345 R349P103-K119 HydrophobicContact CB-CB 4.21Å; P103-A345 HydrophobicContact CG-CB 3.66Å; P103-R349 HydrophobicContact CG-CB 4.25Å; P103-R349 PolarHBondContact O-NH1 3.15Å
104F88Confident88.5Confident45 Ų4544.7 Ų44.720%0.19724%0.243CC..EExtended strand (participates in β ladder)trans59.447.9173-53.2-73.7000113.7L46 F118 R349 Q352 Y353L46-F104 HydrophobicContact CD1-CD1 3.83Å; L46-F104 HydrophobicContact CD1-CE1 3.76Å; L46-F104 HydrophobicContact CD1-CZ 4.44Å; L46-F104 HydrophobicContact CD2-CD1 4.17Å; F104-F118 PolarHBondContact N-O 2.98Å; F104-R349 HydrophobicContact CD2-CB 4.1Å; F104-R349 HydrophobicContact CD2-CG 4.18Å; F104-R349 HydrophobicContact CE2-CB 4.42Å; F104-Q352 HydrophobicContact CE1-CG 4.16Å; F104-Q352 HydrophobicContact CE2-CB 4.15Å; F104-Q352 HydrophobicContact CE2-CG 4.13Å; F104-Q352 HydrophobicContact CZ-CB 4.2Å; F104-Q352 HydrophobicContact CZ-CG 3.75Å; F104-Y353 HydrophobicContact CE2-CD2 4.35Å; F104-Y353 HydrophobicContact CZ-CD2 4.16Å
105I91.4Very high89.1Confident5 Ų550 Ų503%0.02627%0.265CS..EExtended strand (participates in β ladder)trans-91.8128.3174.5-48.5-55.6000107.9H70 N102 S117 F118 Y120H70-I105 HydrophobicContact CB-CD1 3.92Å; H70-I105 VanDerWaalsContact NE2-CG2 3.33Å; H70-I105 WeakPolarHBondContact NE2-CG2 3.43Å; N102-I105 HydrophobicContact CB-CD1 4.45Å; I105-S117 CarbonylContact O-C 3.14Å; I105-S117 VanDerWaalsContact O-CA 3.32Å; I105-S117 WeakPolarHBondContact O-CA 3.37Å; I105-F118 HydrophobicContact CB-CD1 4Å; I105-F118 HydrophobicContact CB-CD2 4.34Å; I105-F118 HydrophobicContact CB-CE1 3.57Å; I105-F118 HydrophobicContact CB-CE2 4Å; I105-F118 HydrophobicContact CB-CG 4.37Å; I105-F118 HydrophobicContact CB-CZ 3.6Å; I105-F118 HydrophobicContact CG1-CE2 4.47Å; I105-F118 HydrophobicContact CG1-CZ 4.45Å; I105-F118 HydrophobicContact CG2-CD1 4.31Å; I105-F118 HydrophobicContact CG2-CE1 3.41Å; I105-F118 VanDerWaalsContact CG2-CE1 3.41Å; I105-F118 HydrophobicContact CG2-CE2 4.12Å; I105-F118 HydrophobicContact CG2-CZ 3.32Å; I105-F118 PolarHBondContact N-O 3.22Å; I105-F118 WeakPolarHBondContact O-CD1 3.25Å; I105-F118 PolarHBondContact O-N 2.95Å; I105-Y120 HydrophobicContact CG1-CD1 4.17Å; I105-Y120 HydrophobicContact CG1-CE1 3.87Å
106E91.3Very high89.4Confident134 Ų13447.9 Ų47.963%0.62625%0.249SC*.EExtended strand (participates in β ladder)trans-96.8130.7172-65.2-168.1171.800109.1L116E106-L116 WeakPolarHBondContact CA-O 3.35Å
107W91.3Very high89.6Confident27 Ų2750 Ų5010%0.10226%0.262CS..EExtended strand (participates in β ladder)trans-131.1133.3174.1171.591.5000109.2R12 L13 T16 D109 P110 K115 L116 F118R12-W107 HydrophobicContact CB-CH2 4.01Å; R12-W107 HydrophobicContact CB-CZ2 3.92Å; L13-W107 HydrophobicContact CB-CD2 4.14Å; L13-W107 HydrophobicContact CB-CE3 4.27Å; L13-W107 HydrophobicContact CB-CH2 4.22Å; L13-W107 HydrophobicContact CB-CZ2 4.11Å; L13-W107 HydrophobicContact CB-CZ3 4.31Å; L13-W107 HydrophobicContact CD1-CB 4.45Å; L13-W107 HydrophobicContact CD1-CD2 4.23Å; L13-W107 HydrophobicContact CD1-CE3 4.11Å; L13-W107 HydrophobicContact CD1-CG 4.43Å; L13-W107 HydrophobicContact CG-CD2 4.17Å; L13-W107 HydrophobicContact CG-CE3 4.45Å; L13-W107 HydrophobicContact CG-CG 4.3Å; T16-W107 PolarHBondContact OG1-NE1 3.35Å; W107-D109 HydrophobicContact CE3-CB 4.4Å; W107-D109 VanDerWaalsContact CH2-CA 3.44Å; W107-D109 HydrophobicContact CH2-CB 3.68Å; W107-D109 VanDerWaalsContact CZ3-CA 3.49Å; W107-D109 HydrophobicContact CZ3-CB 3.58Å; W107-P110 VanDerWaalsContact CZ2-CD 3.43Å; W107-P110 HydrophobicContact CZ2-CG 4.49Å; W107-K115 CarbonylContact O-C 3.51Å; W107-K115 WeakPolarHBondContact O-CA 3.25Å; W107-L116 HydrophobicContact CE3-CB 4.22Å; W107-L116 HydrophobicContact CE3-CD1 3.93Å; W107-L116 HydrophobicContact CE3-CG 4.27Å; W107-L116 HydrophobicContact CZ3-CD1 3.76Å; W107-L116 HydrophobicContact CZ3-CG 4.41Å; W107-L116 PolarHBondContact N-O 2.63Å; W107-L116 PolarHBondContact O-N 3.39Å; W107-F118 HydrophobicContact CB-CD1 4.29Å; W107-F118 HydrophobicContact CB-CE1 3.57Å; W107-F118 HydrophobicContact CB-CZ 4.42Å
108S91.3Very high90Very high57 Ų5749.7 Ų49.740%0.39926%0.261SS..EExtended strand (participates in β ladder)trans-97.1127.7173.3-62.50000108.8P110S108-P110 WeakPolarHBondContact O-CD 3.26Å
109D89.3Confident90.1Very high0 Ų047.9 Ų47.90%025%0.253CS..  trans-64.1122.7176.4-168.1-31.9000110K9 R12 W107 L111 D112 N113 T114K9-D109 WeakPolarHBondContact CD-OD2 3.44Å; K9-D109 VanDerWaalsContact CE-OD2 3.29Å; K9-D109 WeakPolarHBondContact CE-OD2 3.44Å; K9-D109 VanDerWaalsContact CG-OD2 3.25Å; K9-D109 WeakPolarHBondContact CG-OD2 3.16Å; R12-D109 IonicContact CZ-OD1 3.03Å; R12-D109 IonicContact CZ-OD2 3.91Å; R12-D109 IonicContact NE-OD1 2.8Å; R12-D109 PolarHBondContact NE-OD1 3.1Å; R12-D109 IonicContact NE-OD2 3.32Å; R12-D109 IonicContact NH2-OD1 3.28Å; R12-D109 PolarHBondContact NH2-OD1 2.9Å; R12-D109 IonicContact NH2-OD2 2.76Å; R12-D109 PolarHBondContact NH2-OD2 3.43Å; W107-D109 HydrophobicContact CE3-CB 4.4Å; W107-D109 VanDerWaalsContact CH2-CA 3.44Å; W107-D109 HydrophobicContact CH2-CB 3.68Å; W107-D109 VanDerWaalsContact CZ3-CA 3.49Å; W107-D109 HydrophobicContact CZ3-CB 3.58Å; D109-L111 PolarHBondContact O-N 2.9Å; D109-L111 VanDerWaalsContact O-N 3.13Å; D109-L111 PolarHBondContact OD1-N 3.1Å; D109-D112 VanDerWaalsContact CB-OD1 3.28Å; D109-D112 WeakPolarHBondContact CB-OD1 3.05Å; D109-D112 PolarHBondContact O-N 2.98Å; D109-N113 VanDerWaalsContact O-CA 3.22Å; D109-N113 WeakPolarHBondContact O-CA 2.8Å; D109-N113 PolarHBondContact O-N 2.67Å; D109-T114 PolarHBondContact N-O 3.09Å
110P89.3Confident90.2Very high89 Ų8947.9 Ų47.958%0.57825%0.253SS*.THydrogen-bonded Turntrans-64.6-18.4-178.126.1-35.2000113.3W107 S108W107-P110 VanDerWaalsContact CZ2-CD 3.43Å; W107-P110 HydrophobicContact CZ2-CG 4.49Å; S108-P110 WeakPolarHBondContact O-CD 3.26Å
111L90.4Very high90.3Very high130 Ų13047.5 Ų47.568%0.68125%0.251SS*.THydrogen-bonded Turntrans-89.2-34.3-178.7-63-174.5000113.9D109D109-L111 PolarHBondContact O-N 2.9Å; D109-L111 VanDerWaalsContact O-N 3.13Å; D109-L111 PolarHBondContact OD1-N 3.1Å
112D89.6Confident90.4Very high57 Ų5746.6 Ų46.631%0.30525%0.248SC..THydrogen-bonded Turntrans-132.86.6-173.672.68.7000114.5R5 K9 D109 T114R5-D112 IonicContact CZ-OD2 2.69Å; R5-D112 IonicContact NE-OD2 3.55Å; R5-D112 IonicContact NH2-OD2 3.6Å; R5-D112 PolarHBondContact NH2-OD2 3.03Å; K9-D112 VanDerWaalsContact CE-OD2 3.26Å; K9-D112 WeakPolarHBondContact CE-OD2 3.47Å; K9-D112 IonicContact NZ-OD1 2.96Å; K9-D112 PolarHBondContact NZ-OD1 3.04Å; K9-D112 IonicContact NZ-OD2 3.31Å; K9-D112 PolarHBondContact NZ-OD2 3.48Å; D109-D112 VanDerWaalsContact CB-OD1 3.28Å; D109-D112 WeakPolarHBondContact CB-OD1 3.05Å; D109-D112 PolarHBondContact O-N 2.98Å; D112-T114 PolarHBondContact O-N 3.33Å; D112-T114 VanDerWaalsContact OD1-CB 3.29Å; D112-T114 WeakPolarHBondContact OD1-CB 3.09Å; D112-T114 VanDerWaalsContact OD1-CG2 3.23Å; D112-T114 WeakPolarHBondContact OD1-CG2 3.31Å; D112-T114 PolarHBondContact OD1-N 3.4Å; D112-T114 VanDerWaalsContact OD1-N 3.13Å; D112-T114 PolarHBondContact OD1-OG1 2.59Å
113N87.1Confident90.6Very high131 Ų13146.6 Ų46.670%0.70125%0.248SC*.  trans54.214.9-179.1-75.9-39.8000115D109 K115D109-N113 VanDerWaalsContact O-CA 3.22Å; D109-N113 WeakPolarHBondContact O-CA 2.8Å; D109-N113 PolarHBondContact O-N 2.67Å; N113-K115 PolarHBondContact O-N 2.96Å
114T87Confident90.8Very high48 Ų4846.7 Ų46.729%0.29425%0.248SC..  trans-70133.6174.458.90000110K9 D109 D112K9-T114 PolarHBondContact NZ-OG1 3.07Å; D109-T114 PolarHBondContact N-O 3.09Å; D112-T114 PolarHBondContact O-N 3.33Å; D112-T114 VanDerWaalsContact OD1-CB 3.29Å; D112-T114 WeakPolarHBondContact OD1-CB 3.09Å; D112-T114 VanDerWaalsContact OD1-CG2 3.23Å; D112-T114 WeakPolarHBondContact OD1-CG2 3.31Å; D112-T114 PolarHBondContact OD1-N 3.4Å; D112-T114 VanDerWaalsContact OD1-N 3.13Å; D112-T114 PolarHBondContact OD1-OG1 2.59Å
115K87.4Confident91.1Very high145 Ų14545 Ų4563%0.6324%0.241SC*.EExtended strand (participates in β ladder)trans-83.2132.9176.3-67.9-171.1174-167.20110.6W107 N113W107-K115 CarbonylContact O-C 3.51Å; W107-K115 WeakPolarHBondContact O-CA 3.25Å; N113-K115 PolarHBondContact O-N 2.96Å
116L86.9Confident91.2Very high31 Ų3150.1 Ų50.116%0.16227%0.269CS..EExtended strand (participates in β ladder)trans-116.5135.8167.8-65.5179.4000109.4K9 I47 E106 W107K9-L116 HydrophobicContact CB-CD1 4.15Å; K9-L116 HydrophobicContact CD-CD1 4.34Å; I47-L116 HydrophobicContact CD1-CB 4.3Å; I47-L116 HydrophobicContact CD1-CD1 3.96Å; I47-L116 HydrophobicContact CD1-CD2 4.07Å; I47-L116 HydrophobicContact CD1-CG 4.35Å; E106-L116 WeakPolarHBondContact CA-O 3.35Å; W107-L116 HydrophobicContact CE3-CB 4.22Å; W107-L116 HydrophobicContact CE3-CD1 3.93Å; W107-L116 HydrophobicContact CE3-CG 4.27Å; W107-L116 HydrophobicContact CZ3-CD1 3.76Å; W107-L116 HydrophobicContact CZ3-CG 4.41Å; W107-L116 PolarHBondContact N-O 2.63Å; W107-L116 PolarHBondContact O-N 3.39Å
117S89.3Confident91.4Very high51 Ų5145.4 Ų45.436%0.35725%0.25SS..EExtended strand (participates in β ladder)trans-103.4129.8167.8-67.10000109.9L46 I47 I105L46-S117 WeakPolarHBondContact CA-O 3.35Å; L46-S117 VanDerWaalsContact CD2-CB 3.48Å; I47-S117 PolarHBondContact N-O 2.85Å; I47-S117 VanDerWaalsContact N-O 3.08Å; I105-S117 CarbonylContact O-C 3.14Å; I105-S117 VanDerWaalsContact O-CA 3.32Å; I105-S117 WeakPolarHBondContact O-CA 3.37Å
118F91.8Very high91.7Very high2 Ų244.1 Ų44.11%0.00925%0.246CC..EExtended strand (participates in β ladder)trans-141.6163.7-17667.8-76.3000112.6L13 L17 I47 L49 F104 I105 W107 Y120L13-F118 HydrophobicContact CD1-CD1 3.75Å; L13-F118 HydrophobicContact CD1-CD2 4.36Å; L13-F118 HydrophobicContact CD1-CE1 3.91Å; L13-F118 HydrophobicContact CD1-CE2 4.46Å; L13-F118 HydrophobicContact CD1-CG 3.99Å; L13-F118 HydrophobicContact CD1-CZ 4.24Å; L13-F118 HydrophobicContact CD2-CD2 4.13Å; L13-F118 HydrophobicContact CD2-CE2 3.81Å; L13-F118 HydrophobicContact CD2-CZ 4.01Å; L13-F118 HydrophobicContact CG-CE1 4.3Å; L13-F118 HydrophobicContact CG-CE2 4.45Å; L13-F118 HydrophobicContact CG-CZ 4.2Å; L17-F118 HydrophobicContact CD1-CE2 3.73Å; L17-F118 HydrophobicContact CD1-CZ 4.18Å; I47-F118 HydrophobicContact CB-CB 3.9Å; I47-F118 CarbonylContact O-C 3.5Å; I47-F118 VanDerWaalsContact O-CA 3.31Å; I47-F118 WeakPolarHBondContact O-CA 3.31Å; I47-F118 WeakPolarHBondContact O-CB 3.48Å; L49-F118 HydrophobicContact CD1-CB 4.5Å; L49-F118 HydrophobicContact CD1-CD2 3.84Å; L49-F118 HydrophobicContact CD1-CE2 4.46Å; L49-F118 HydrophobicContact CD1-CG 4.44Å; F104-F118 PolarHBondContact N-O 2.98Å; I105-F118 HydrophobicContact CB-CD1 4Å; I105-F118 HydrophobicContact CB-CD2 4.34Å; I105-F118 HydrophobicContact CB-CE1 3.57Å; I105-F118 HydrophobicContact CB-CE2 4Å; I105-F118 HydrophobicContact CB-CG 4.37Å; I105-F118 HydrophobicContact CB-CZ 3.6Å; I105-F118 HydrophobicContact CG1-CE2 4.47Å; I105-F118 HydrophobicContact CG1-CZ 4.45Å; I105-F118 HydrophobicContact CG2-CD1 4.31Å; I105-F118 HydrophobicContact CG2-CE1 3.41Å; I105-F118 VanDerWaalsContact CG2-CE1 3.41Å; I105-F118 HydrophobicContact CG2-CE2 4.12Å; I105-F118 HydrophobicContact CG2-CZ 3.32Å; I105-F118 PolarHBondContact N-O 3.22Å; I105-F118 WeakPolarHBondContact O-CD1 3.25Å; I105-F118 PolarHBondContact O-N 2.95Å; W107-F118 HydrophobicContact CB-CD1 4.29Å; W107-F118 HydrophobicContact CB-CE1 3.57Å; W107-F118 HydrophobicContact CB-CZ 4.42Å; F118-Y120 AromaticContact CD2-CD1 3.97Å; F118-Y120 HydrophobicContact CD2-CD1 3.97Å; F118-Y120 AromaticContact CE2-CD1 3.46Å; F118-Y120 HydrophobicContact CE2-CD1 3.46Å; F118-Y120 VanDerWaalsContact CE2-CD1 3.46Å; F118-Y120 HydrophobicContact CE2-CE1 4.08Å; F118-Y120 HydrophobicContact CE2-CG 4.35Å; F118-Y120 HydrophobicContact CZ-CD1 4.45Å
119K92.3Very high91.9Very high18 Ų1842.4 Ų42.48%0.07823%0.232CC..EExtended strand (participates in β ladder)trans-122.7140.8162.976.2-177.2-157.1-140.40108I47 D48 L49 N102 P103 Y353I47-K119 PolarHBondContact O-N 3.42Å; D48-K119 HydrophobicContact CB-CG 4.38Å; D48-K119 VanDerWaalsContact CG-NZ 3.32Å; D48-K119 WeakPolarHBondContact OD1-CD 3.46Å; D48-K119 WeakPolarHBondContact OD1-CE 3.48Å; D48-K119 WeakPolarHBondContact OD1-CG 3.47Å; D48-K119 IonicContact OD1-NZ 3.74Å; D48-K119 PolarHBondContact OD1-NZ 3.09Å; D48-K119 IonicContact OD2-NZ 2.96Å; L49-K119 PolarHBondContact N-O 3.36Å; N102-K119 WeakPolarHBondContact O-CA 2.94Å; P103-K119 HydrophobicContact CB-CB 4.21Å; K119-Y353 HydrophobicContact CD-CE2 4.42Å; K119-Y353 PolarHBondContact NZ-OH 2.92Å
120Y94.4Very high92.3Very high0 Ų045.5 Ų45.50%025%0.251CS..EExtended strand (participates in β ladder)trans-125.5137.6173.866.2-88.7000110.5L17 L49 I51 W59 N63 H70 Y101 N102 I105 F118 V122L17-Y120 HydrophobicContact CD1-CD1 4.22Å; L17-Y120 HydrophobicContact CD1-CE1 4.45Å; L17-Y120 HydrophobicContact CD1-CG 4.37Å; L17-Y120 HydrophobicContact CD2-CE1 4.39Å; L49-Y120 CarbonylContact O-C 3.5Å; L49-Y120 WeakPolarHBondContact O-CA 3.07Å; I51-Y120 HydrophobicContact CD1-CD2 4.13Å; W59-Y120 HydrophobicContact CH2-CD2 4.13Å; W59-Y120 AromaticContact CH2-CE2 3.52Å; W59-Y120 HydrophobicContact CH2-CE2 3.52Å; W59-Y120 AromaticContact CZ3-CE2 3.92Å; W59-Y120 HydrophobicContact CZ3-CE2 3.92Å; N63-Y120 PolarHBondContact ND2-OH 3.08Å; H70-Y120 WeakPolarHBondContact CB-OH 3.28Å; H70-Y120 AromaticContact ND1-CE1 3.71Å; H70-Y120 AromaticContact ND1-CZ 3.8Å; H70-Y120 PolarHBondContact ND1-OH 2.8Å; Y101-Y120 WeakPolarHBondContact CA-O 3.35Å; N102-Y120 HydrophobicContact CB-CD1 4.13Å; N102-Y120 HydrophobicContact CB-CD2 4.48Å; N102-Y120 HydrophobicContact CB-CE1 3.65Å; N102-Y120 HydrophobicContact CB-CE2 3.97Å; N102-Y120 PolarHBondContact N-O 2.9Å; N102-Y120 WeakPolarHBondContact ND2-CE2 3.44Å; N102-Y120 VanDerWaalsContact ND2-CZ 3.33Å; N102-Y120 PolarHBondContact ND2-OH 2.89Å; N102-Y120 VanDerWaalsContact ND2-OH 3.07Å; N102-Y120 PolarHBondContact O-N 3.08Å; N102-Y120 VanDerWaalsContact O-N 3.1Å; I105-Y120 HydrophobicContact CG1-CD1 4.17Å; I105-Y120 HydrophobicContact CG1-CE1 3.87Å; F118-Y120 AromaticContact CD2-CD1 3.97Å; F118-Y120 HydrophobicContact CD2-CD1 3.97Å; F118-Y120 AromaticContact CE2-CD1 3.46Å; F118-Y120 HydrophobicContact CE2-CD1 3.46Å; F118-Y120 VanDerWaalsContact CE2-CD1 3.46Å; F118-Y120 HydrophobicContact CE2-CE1 4.08Å; F118-Y120 HydrophobicContact CE2-CG 4.35Å; F118-Y120 HydrophobicContact CZ-CD1 4.45Å; Y120-V122 HydrophobicContact CD2-CG2 4.01Å; Y120-V122 HydrophobicContact CE2-CG2 4.18Å
121G94.9Very high92.7Very high0 Ų041.4 Ų41.40%022%0.224CC..EExtended strand (participates in β ladder)trans-104.1144170.500000110.2L49 V50 I51 Y100 Y101L49-G121 PolarHBondContact O-N 2.9Å; V50-G121 CarbonylContact C-O 3.57Å; V50-G121 WeakPolarHBondContact CA-O 3.46Å; I51-G121 PolarHBondContact N-O 3.34Å; Y100-G121 CarbonylContact O-C 3.49Å; Y100-G121 VanDerWaalsContact O-CA 3.28Å; Y100-G121 WeakPolarHBondContact O-CA 3.46Å; Y101-G121 VanDerWaalsContact CE1-CA 3.42Å
122V94.1Very high93.1Very high1 Ų135.3 Ų35.31%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-117135.6174.2-175.50000109.3I51 V53 P56 W59 V99 Y100 Y120I51-V122 HydrophobicContact CB-CG2 4.46Å; I51-V122 WeakPolarHBondContact O-CA 3.15Å; V53-V122 HydrophobicContact CG1-CG1 4.16Å; V53-V122 HydrophobicContact CG2-CG1 3.67Å; P56-V122 HydrophobicContact CB-CG1 4.48Å; W59-V122 HydrophobicContact CD2-CG1 4.24Å; W59-V122 HydrophobicContact CD2-CG2 4.39Å; W59-V122 HydrophobicContact CE3-CB 4.43Å; W59-V122 HydrophobicContact CE3-CG1 4.03Å; W59-V122 HydrophobicContact CE3-CG2 3.75Å; W59-V122 HydrophobicContact CH2-CG2 3.73Å; W59-V122 HydrophobicContact CZ2-CG2 4.36Å; W59-V122 HydrophobicContact CZ3-CB 4.49Å; W59-V122 HydrophobicContact CZ3-CG2 3.41Å; W59-V122 VanDerWaalsContact CZ3-CG2 3.41Å; V99-V122 WeakPolarHBondContact CA-O 3.49Å; Y100-V122 PolarHBondContact N-O 3.07Å; Y100-V122 PolarHBondContact O-N 3.15Å; Y120-V122 HydrophobicContact CD2-CG2 4.01Å; Y120-V122 HydrophobicContact CE2-CG2 4.18Å
123V94.5Very high93.5Very high0 Ų033.8 Ų33.80%019%0.186CC..EExtended strand (participates in β ladder)trans-142.1145.7-179.468.50000110.4V50 I51 I52 V53 V99 L140V50-V123 HydrophobicContact CG1-CG1 3.93Å; I51-V123 PolarHBondContact O-N 3.03Å; I52-V123 WeakPolarHBondContact CA-O 3.29Å; I52-V123 HydrophobicContact CG1-CG1 4.07Å; V53-V123 PolarHBondContact N-O 3.05Å; V99-V123 HydrophobicContact CG2-CB 4.21Å; V99-V123 HydrophobicContact CG2-CG2 4.13Å; V123-L140 HydrophobicContact CB-CD1 4Å; V123-L140 HydrophobicContact CG1-CD1 3.69Å; V123-L140 HydrophobicContact CG2-CD1 3.81Å
124S94.3Very high94Very high9 Ų930.9 Ų30.96%0.06317%0.17CC..EExtended strand (participates in β ladder)trans-69145170.461.10000110.6V53 D126 S127 L128V53-S124 CarbonylContact O-C 3.59Å; V53-S124 VanDerWaalsContact O-CA 3.22Å; V53-S124 WeakPolarHBondContact O-CA 3.22Å; S124-D126 VanDerWaalsContact C-N 3.29Å; S124-D126 PolarHBondContact O-N 2.92Å; S124-S127 PolarHBondContact O-N 2.81Å; S124-S127 WeakPolarHBondContact OG-CB 3.41Å; S124-S127 PolarHBondContact OG-N 3.44Å; S124-S127 VanDerWaalsContact OG-N 3.11Å; S124-S127 PolarHBondContact OG-OG 3.25Å; S124-L128 PolarHBondContact O-N 3.48Å; S124-L128 VanDerWaalsContact O-N 3.14Å
125L94.8Very high94.5Very high10 Ų1028.6 Ų28.65%0.05216%0.156CC..Hα-helixtrans-51.7-48.1169.8-179.359.9000111.3V25 I52 V53 S127 L128 L129 L167V25-L125 HydrophobicContact CG1-CD1 4.4Å; V25-L125 HydrophobicContact CG1-CD2 4.41Å; V25-L125 HydrophobicContact CG2-CD2 4.38Å; I52-L125 HydrophobicContact CG2-CB 4.16Å; I52-L125 HydrophobicContact CG2-CD1 4.04Å; V53-L125 PolarHBondContact O-N 2.91Å; L125-S127 PolarHBondContact O-N 3.13Å; L125-L128 WeakPolarHBondContact O-CA 3.45Å; L125-L128 WeakPolarHBondContact O-CB 3.49Å; L125-L128 PolarHBondContact O-N 3.14Å; L125-L129 HydrophobicContact CD1-CD1 4.17Å; L125-L129 HydrophobicContact CD1-CD2 4Å; L125-L129 HydrophobicContact CD1-CG 3.92Å; L125-L129 HydrophobicContact CG-CD1 3.95Å; L125-L129 HydrophobicContact CG-CG 4.11Å; L125-L129 WeakPolarHBondContact O-CG 3.33Å; L125-L129 PolarHBondContact O-N 3.34Å; L125-L167 HydrophobicContact CD1-CB 4.36Å
126D94.7Very high95Very high113 Ų11323.4 Ų23.460%0.60414%0.138SC*.Hα-helixtrans-60.3-45.1-177-62.4-32.6000113.4S124 L128 L129 T130S124-D126 VanDerWaalsContact C-N 3.29Å; S124-D126 PolarHBondContact O-N 2.92Å; D126-L128 VanDerWaalsContact C-N 3.29Å; D126-L128 PolarHBondContact O-N 3.45Å; D126-L129 PolarHBondContact O-N 2.97Å; D126-T130 WeakPolarHBondContact O-CB 3.1Å; D126-T130 PolarHBondContact O-N 3.13Å; D126-T130 PolarHBondContact O-OG1 2.89Å
127S95Very high95.4Very high34 Ų3424.4 Ų24.424%0.23814%0.142CC..Hα-helixtrans-62.8-36.9175.5-58.20000111.9S124 L125 D131S124-S127 PolarHBondContact O-N 2.81Å; S124-S127 WeakPolarHBondContact OG-CB 3.41Å; S124-S127 PolarHBondContact OG-N 3.44Å; S124-S127 VanDerWaalsContact OG-N 3.11Å; S124-S127 PolarHBondContact OG-OG 3.25Å; L125-S127 PolarHBondContact O-N 3.13Å; S127-D131 PolarHBondContact O-N 3.33Å
128L96.7Very high95.8Very high0 Ų022.1 Ų22.10%013%0.126CC..Hα-helixtrans-66.6-47.7175.4172.961000111.4I52 S124 L125 D126 T130 D131 L132 L140 L144 L167I52-L128 HydrophobicContact CD1-CD2 3.42Å; I52-L128 VanDerWaalsContact CD1-CD2 3.42Å; I52-L128 HydrophobicContact CG1-CD2 3.75Å; I52-L128 HydrophobicContact CG2-CD2 4.08Å; S124-L128 PolarHBondContact O-N 3.48Å; S124-L128 VanDerWaalsContact O-N 3.14Å; L125-L128 WeakPolarHBondContact O-CA 3.45Å; L125-L128 WeakPolarHBondContact O-CB 3.49Å; L125-L128 PolarHBondContact O-N 3.14Å; D126-L128 VanDerWaalsContact C-N 3.29Å; D126-L128 PolarHBondContact O-N 3.45Å; L128-T130 VanDerWaalsContact C-N 3.3Å; L128-T130 PolarHBondContact O-N 3.03Å; L128-D131 PolarHBondContact O-N 3.09Å; L128-L132 HydrophobicContact CD1-CD1 3.92Å; L128-L132 HydrophobicContact CD1-CG 3.96Å; L128-L132 HydrophobicContact CG-CD1 3.89Å; L128-L132 HydrophobicContact CG-CG 4.35Å; L128-L132 WeakPolarHBondContact O-CB 3.05Å; L128-L132 VanDerWaalsContact O-CG 3.3Å; L128-L132 WeakPolarHBondContact O-CG 3.15Å; L128-L132 PolarHBondContact O-N 3.18Å; L128-L140 HydrophobicContact CD1-CB 3.67Å; L128-L140 HydrophobicContact CD1-CD1 3.88Å; L128-L140 HydrophobicContact CD1-CG 4.45Å; L128-L144 HydrophobicContact CD1-CD1 3.9Å; L128-L167 HydrophobicContact CD2-CD1 3.62Å; L128-L167 HydrophobicContact CG-CD1 4.19Å
129L97.2Very high96Very high22 Ų2223.6 Ų23.612%0.11513%0.132CC..Hα-helixtrans-60.5-42.1178.8-63.1-177.9000111.2L125 D126 L132 C133 K166 L167L125-L129 HydrophobicContact CD1-CD1 4.17Å; L125-L129 HydrophobicContact CD1-CD2 4Å; L125-L129 HydrophobicContact CD1-CG 3.92Å; L125-L129 HydrophobicContact CG-CD1 3.95Å; L125-L129 HydrophobicContact CG-CG 4.11Å; L125-L129 WeakPolarHBondContact O-CG 3.33Å; L125-L129 PolarHBondContact O-N 3.34Å; D126-L129 PolarHBondContact O-N 2.97Å; L129-L132 PolarHBondContact O-N 3.09Å; L129-C133 WeakPolarHBondContact O-CB 3.2Å; L129-C133 PolarHBondContact O-N 3.37Å; L129-K166 HydrophobicContact CD1-CB 3.97Å; L129-K166 HydrophobicContact CD1-CD 4.4Å; L129-K166 HydrophobicContact CD2-CB 4.41Å; L129-L167 HydrophobicContact CD2-CB 4.25Å; L129-L167 HydrophobicContact CD2-CD1 4.27Å
130T97.1Very high96.2Very high64 Ų6423 Ų2339%0.39313%0.129SC..Hα-helixtrans-59.9-47174.9-54.30000111.1D126 L128 L132 D134D126-T130 WeakPolarHBondContact O-CB 3.1Å; D126-T130 PolarHBondContact O-N 3.13Å; D126-T130 PolarHBondContact O-OG1 2.89Å; L128-T130 VanDerWaalsContact C-N 3.3Å; L128-T130 PolarHBondContact O-N 3.03Å; T130-L132 VanDerWaalsContact C-N 3.33Å; T130-L132 PolarHBondContact O-N 2.9Å; T130-D134 WeakPolarHBondContact O-CA 3.25Å; T130-D134 VanDerWaalsContact O-CB 3.29Å; T130-D134 WeakPolarHBondContact O-CB 3.4Å; T130-D134 PolarHBondContact O-N 3.46Å
131D98Very high96.4Very high4 Ų423 Ų232%0.02113%0.129CC..Hα-helixtrans-64.8-37.9178-163.531.7000111.6S127 L128 W135 S136 H137 L138 Y139 L140 A141S127-D131 PolarHBondContact O-N 3.33Å; L128-D131 PolarHBondContact O-N 3.09Å; D131-W135 WeakPolarHBondContact O-CA 3.02Å; D131-W135 PolarHBondContact O-N 2.66Å; D131-S136 PolarHBondContact OD1-N 3.44Å; D131-H137 WeakPolarHBondContact OD1-CA 3.39Å; D131-H137 PolarHBondContact OD1-N 3.48Å; D131-L138 PolarHBondContact OD1-N 3.47Å; D131-Y139 PolarHBondContact OD2-N 2.8Å; D131-L140 PolarHBondContact OD2-N 3.05Å; D131-A141 HydrophobicContact CB-CB 4.36Å; D131-A141 WeakPolarHBondContact O-CB 3.28Å; D131-A141 PolarHBondContact OD2-N 3.08Å
132L98.1Very high96.5Very high1 Ų123 Ų231%0.00513%0.129CC..Hα-helixtrans-67-45.3179-73.9173.9000113.2L128 L129 T130 A141 L144 L167 Q171 N174L128-L132 HydrophobicContact CD1-CD1 3.92Å; L128-L132 HydrophobicContact CD1-CG 3.96Å; L128-L132 HydrophobicContact CG-CD1 3.89Å; L128-L132 HydrophobicContact CG-CG 4.35Å; L128-L132 WeakPolarHBondContact O-CB 3.05Å; L128-L132 VanDerWaalsContact O-CG 3.3Å; L128-L132 WeakPolarHBondContact O-CG 3.15Å; L128-L132 PolarHBondContact O-N 3.18Å; L129-L132 PolarHBondContact O-N 3.09Å; T130-L132 VanDerWaalsContact C-N 3.33Å; T130-L132 PolarHBondContact O-N 2.9Å; L132-A141 HydrophobicContact CD2-CB 4.11Å; L132-L144 HydrophobicContact CD1-CD1 4.34Å; L132-L144 HydrophobicContact CD2-CB 4.31Å; L132-L144 HydrophobicContact CD2-CD1 3.98Å; L132-L167 HydrophobicContact CD1-CD1 3.69Å; L132-Q171 VanDerWaalsContact CD2-OE1 3.23Å; L132-N174 HydrophobicContact CB-CB 4.39Å; L132-N174 HydrophobicContact CD2-CB 3.77Å; L132-N174 VanDerWaalsContact CD2-ND2 3.27Å; L132-N174 WeakPolarHBondContact CD2-ND2 3.15Å
133C98.1Very high96.6Very high26 Ų2624.4 Ų24.418%0.17613%0.134CC..Hα-helixtrans-79.5-37.8-177.5-76.40000112.9L129 S170 P287L129-C133 WeakPolarHBondContact O-CB 3.2Å; L129-C133 PolarHBondContact O-N 3.37Å; C133-S170 PolarHBondContact SG-OG 3.43Å; C133-P287 WeakPolarHBondContact O-CB 3.43Å; C133-P287 WeakPolarHBondContact O-CG 3.42Å
134D97.7Very high96.7Very high69 Ų6924.4 Ų24.437%0.36913%0.134SC..Hα-helixtrans-120.312.4-167.2-50.6-35.4000112T130 S136 H289T130-D134 WeakPolarHBondContact O-CA 3.25Å; T130-D134 VanDerWaalsContact O-CB 3.29Å; T130-D134 WeakPolarHBondContact O-CB 3.4Å; T130-D134 PolarHBondContact O-N 3.46Å; D134-S136 WeakPolarHBondContact O-CA 3.37Å; D134-S136 PolarHBondContact O-N 2.87Å; D134-H289 VanDerWaalsContact C-CE1 3.44Å; D134-H289 PolarHBondContact O-CE1 2.82Å; D134-H289 PolarHBondContact O-ND1 3.1Å; D134-H289 PolarHBondContact O-NE2 2.92Å
135W98.2Very high96.9Very high0 Ų024 Ų240%013%0.131CC..  trans40.338.7176.8-72.62.5000113.8D131 H137 L138 N174 A177 I205 I286 P287 I290 L326 I329D131-W135 WeakPolarHBondContact O-CA 3.02Å; D131-W135 PolarHBondContact O-N 2.66Å; W135-H137 PolarHBondContact O-N 2.79Å; W135-L138 HydrophobicContact CB-CD1 4.47Å; W135-L138 HydrophobicContact CB-CD2 3.86Å; W135-L138 HydrophobicContact CB-CG 3.87Å; W135-L138 HydrophobicContact CD2-CD2 3.69Å; W135-L138 HydrophobicContact CD2-CG 4.47Å; W135-L138 HydrophobicContact CE3-CD2 4.23Å; W135-L138 HydrophobicContact CG-CD2 3.5Å; W135-L138 HydrophobicContact CG-CG 4.09Å; W135-N174 PolarHBondContact NE1-OD1 3.35Å; W135-A177 HydrophobicContact CH2-CB 4Å; W135-A177 HydrophobicContact CZ2-CB 3.43Å; W135-A177 VanDerWaalsContact CZ2-CB 3.43Å; W135-I205 HydrophobicContact CH2-CD1 4.49Å; W135-I286 HydrophobicContact CH2-CD1 4.21Å; W135-I286 HydrophobicContact CZ3-CD1 4.45Å; W135-P287 HydrophobicContact CB-CG 4.21Å; W135-P287 HydrophobicContact CD2-CG 3.9Å; W135-P287 HydrophobicContact CE3-CG 4.28Å; W135-P287 HydrophobicContact CG-CG 3.86Å; W135-I290 HydrophobicContact CB-CD1 4.2Å; W135-I290 HydrophobicContact CB-CG1 4.35Å; W135-I290 HydrophobicContact CE3-CG1 4.04Å; W135-L326 HydrophobicContact CE3-CD1 4.25Å; W135-L326 HydrophobicContact CE3-CD2 3.91Å; W135-L326 HydrophobicContact CZ3-CD1 3.89Å; W135-L326 HydrophobicContact CZ3-CD2 4.22Å; W135-I329 WeakPolarHBondContact O-CG2 3.33Å
136S96.6Very high97Very high36 Ų3623.7 Ų23.725%0.25213%0.129SC..SBendtrans-67.3-27-165.659.70000110.8D131 D134D131-S136 PolarHBondContact OD1-N 3.44Å; D134-S136 WeakPolarHBondContact O-CA 3.37Å; D134-S136 PolarHBondContact O-N 2.87Å
137H96Very high97Very high52 Ų5219 Ų1924%0.24111%0.106CC..SBendtrans-134.1-19.8-179.6-62.3-39.4000113.4G96 P97 D131 W135 Y139 S333G96-H137 VanDerWaalsContact C-NE2 3.29Å; G96-H137 PolarHBondContact O-NE2 2.78Å; G96-H137 VanDerWaalsContact O-NE2 3.09Å; P97-H137 HydrophobicContact CB-CB 4.45Å; P97-H137 HydrophobicContact CG-CB 3.98Å; D131-H137 WeakPolarHBondContact OD1-CA 3.39Å; D131-H137 PolarHBondContact OD1-N 3.48Å; W135-H137 PolarHBondContact O-N 2.79Å; H137-Y139 PolarHBondContact O-N 2.85Å; H137-S333 WeakPolarHBondContact CB-OG 3.34Å; H137-S333 WeakPolarHBondContact O-CB 3.47Å; H137-S333 PolarHBondContact O-OG 3.47Å
138L97.5Very high96.9Very high3 Ų318.5 Ų18.52%0.01610%0.101CC..SBendtrans51.424.1-172.1-78.8168.4000113.1D131 W135 A141 G142 I205 L326 I329 V330D131-L138 PolarHBondContact OD1-N 3.47Å; W135-L138 HydrophobicContact CB-CD1 4.47Å; W135-L138 HydrophobicContact CB-CD2 3.86Å; W135-L138 HydrophobicContact CB-CG 3.87Å; W135-L138 HydrophobicContact CD2-CD2 3.69Å; W135-L138 HydrophobicContact CD2-CG 4.47Å; W135-L138 HydrophobicContact CE3-CD2 4.23Å; W135-L138 HydrophobicContact CG-CD2 3.5Å; W135-L138 HydrophobicContact CG-CG 4.09Å; L138-A141 HydrophobicContact CD2-CB 4.49Å; L138-G142 WeakPolarHBondContact O-CA 3.42Å; L138-G142 PolarHBondContact O-N 3.44Å; L138-I205 HydrophobicContact CD1-CG2 3.82Å; L138-I205 HydrophobicContact CD2-CG2 3.78Å; L138-I205 HydrophobicContact CG-CG2 4.39Å; L138-L326 HydrophobicContact CD1-CB 4.21Å; L138-L326 HydrophobicContact CD1-CD1 4.33Å; L138-L326 HydrophobicContact CD1-CD2 4.01Å; L138-L326 HydrophobicContact CD1-CG 4.4Å; L138-I329 HydrophobicContact CD1-CG2 4.4Å; L138-V330 HydrophobicContact CB-CG2 3.8Å; L138-V330 HydrophobicContact CD1-CG2 3.8Å; L138-V330 HydrophobicContact CG-CG2 4.48Å
139Y95.7Very high96.7Very high34 Ų3419.8 Ų19.813%0.13311%0.108CC..SBendtrans-86.7-58.9-175.7-172.8-103.3000110.3P97 V99 Y101 D131 H137 R143 Q337P97-Y139 HydrophobicContact CB-CD1 3.59Å; P97-Y139 HydrophobicContact CB-CG 3.74Å; P97-Y139 VanDerWaalsContact CG-CB 3.41Å; P97-Y139 HydrophobicContact CG-CD1 3.91Å; P97-Y139 HydrophobicContact CG-CD2 4.13Å; P97-Y139 HydrophobicContact CG-CG 3.54Å; V99-Y139 HydrophobicContact CB-CE1 4.19Å; V99-Y139 HydrophobicContact CG2-CD1 3.86Å; V99-Y139 HydrophobicContact CG2-CE1 3.87Å; Y101-Y139 HydrophobicContact CE2-CE1 4.12Å; Y101-Y139 WeakPolarHBondContact CE2-OH 3.48Å; D131-Y139 PolarHBondContact OD2-N 2.8Å; H137-Y139 PolarHBondContact O-N 2.85Å; Y139-R143 WeakPolarHBondContact O-CB 3.45Å; Y139-R143 PolarHBondContact O-N 2.89Å; Y139-Q337 HydrophobicContact CD1-CG 4.36Å; Y139-Q337 HydrophobicContact CD2-CB 4.36Å; Y139-Q337 HydrophobicContact CD2-CG 4.12Å; Y139-Q337 HydrophobicContact CE1-CG 3.81Å; Y139-Q337 HydrophobicContact CE2-CB 4.08Å; Y139-Q337 HydrophobicContact CE2-CG 3.52Å
140L97.1Very high96.4Very high5 Ų520.6 Ų20.63%0.02611%0.109CC..Hα-helixtrans-87.7-35.8174.3-67.3-173.5000111.2F28 V50 V99 V123 L128 D131 G142 R143 L144F28-L140 HydrophobicContact CZ-CD2 4.49Å; V50-L140 HydrophobicContact CG2-CD2 4.32Å; V99-L140 HydrophobicContact CG2-CD1 3.76Å; V99-L140 HydrophobicContact CG2-CD2 4.11Å; V99-L140 HydrophobicContact CG2-CG 3.91Å; V123-L140 HydrophobicContact CB-CD1 4Å; V123-L140 HydrophobicContact CG1-CD1 3.69Å; V123-L140 HydrophobicContact CG2-CD1 3.81Å; L128-L140 HydrophobicContact CD1-CB 3.67Å; L128-L140 HydrophobicContact CD1-CD1 3.88Å; L128-L140 HydrophobicContact CD1-CG 4.45Å; D131-L140 PolarHBondContact OD2-N 3.05Å; L140-G142 VanDerWaalsContact C-N 3.31Å; L140-G142 PolarHBondContact O-N 2.88Å; L140-R143 CarbonylContact O-C 3.48Å; L140-R143 WeakPolarHBondContact O-CA 3.39Å; L140-R143 WeakPolarHBondContact O-CB 3.28Å; L140-R143 PolarHBondContact O-N 3.02Å; L140-L144 WeakPolarHBondContact O-CB 3.28Å; L140-L144 WeakPolarHBondContact O-CG 3.44Å; L140-L144 PolarHBondContact O-N 3.44Å
141A98.1Very high96.1Very high0 Ų017.8 Ų17.80%09%0.092CC..Hα-helixtrans-59.9-45.9172.800000111.4D131 L132 L138 R143 L144 Q145 N174D131-A141 HydrophobicContact CB-CB 4.36Å; D131-A141 WeakPolarHBondContact O-CB 3.28Å; D131-A141 PolarHBondContact OD2-N 3.08Å; L132-A141 HydrophobicContact CD2-CB 4.11Å; L138-A141 HydrophobicContact CD2-CB 4.49Å; A141-R143 VanDerWaalsContact C-N 3.31Å; A141-R143 PolarHBondContact O-N 3.14Å; A141-L144 PolarHBondContact O-N 2.83Å; A141-Q145 VanDerWaalsContact O-CG 3.28Å; A141-Q145 WeakPolarHBondContact O-CG 3.37Å; A141-Q145 PolarHBondContact O-N 3.3Å; A141-N174 PolarHBondContact O-ND2 2.77Å
142G97.4Very high95.3Very high0 Ų018.3 Ų18.30%010%0.095CC..Hα-helixtrans-59.2-39.6171.400000112.8L138 L140 K146L138-G142 WeakPolarHBondContact O-CA 3.42Å; L138-G142 PolarHBondContact O-N 3.44Å; L140-G142 VanDerWaalsContact C-N 3.31Å; L140-G142 PolarHBondContact O-N 2.88Å; G142-K146 WeakPolarHBondContact O-CE 3.43Å; G142-K146 PolarHBondContact O-NZ 3.18Å
143R96.1Very high94.2Very high31 Ų3121.9 Ų21.912%0.11711%0.114CC..Hα-helixtrans-63.8-44.2175.717763.1-148.1125.78.1112.1F28 Y30 Y139 L140 A141 Q145 K146 P147 V148F28-R143 HydrophobicContact CE2-CG 4.07Å; Y30-R143 VanDerWaalsContact CB-CZ 3.45Å; Y139-R143 WeakPolarHBondContact O-CB 3.45Å; Y139-R143 PolarHBondContact O-N 2.89Å; L140-R143 CarbonylContact O-C 3.48Å; L140-R143 WeakPolarHBondContact O-CA 3.39Å; L140-R143 WeakPolarHBondContact O-CB 3.28Å; L140-R143 PolarHBondContact O-N 3.02Å; A141-R143 VanDerWaalsContact C-N 3.31Å; A141-R143 PolarHBondContact O-N 3.14Å; R143-Q145 VanDerWaalsContact C-N 3.32Å; R143-K146 PolarHBondContact O-N 3.49Å; R143-P147 PolarHBondContact NH2-O 2.67Å; R143-V148 VanDerWaalsContact NH2-CG1 3.29Å
144L97.3Very high92.9Very high0 Ų026.6 Ų26.60%013%0.134CC..Hα-helixtrans-80.3-7.7-176.9-67.8176.5000113.8F28 L128 L132 L140 A141 K146 V148 W150 Q171F28-L144 HydrophobicContact CD1-CD2 4.15Å; F28-L144 HydrophobicContact CD2-CD2 4.42Å; F28-L144 HydrophobicContact CE1-CD1 4.35Å; F28-L144 HydrophobicContact CE1-CD2 3.87Å; F28-L144 HydrophobicContact CE1-CG 4.39Å; F28-L144 HydrophobicContact CE2-CD2 4.17Å; F28-L144 HydrophobicContact CG-CD2 4.41Å; F28-L144 HydrophobicContact CZ-CD2 3.88Å; F28-L144 HydrophobicContact CZ-CG 4.27Å; L128-L144 HydrophobicContact CD1-CD1 3.9Å; L132-L144 HydrophobicContact CD1-CD1 4.34Å; L132-L144 HydrophobicContact CD2-CB 4.31Å; L132-L144 HydrophobicContact CD2-CD1 3.98Å; L140-L144 WeakPolarHBondContact O-CB 3.28Å; L140-L144 WeakPolarHBondContact O-CG 3.44Å; L140-L144 PolarHBondContact O-N 3.44Å; A141-L144 PolarHBondContact O-N 2.83Å; L144-K146 PolarHBondContact O-N 2.73Å; L144-V148 HydrophobicContact CD2-CB 4.44Å; L144-V148 HydrophobicContact CD2-CG1 3.95Å; L144-V148 HydrophobicContact CD2-CG2 3.71Å; L144-W150 HydrophobicContact CD1-CH2 4.43Å; L144-W150 HydrophobicContact CD1-CZ2 4.47Å; L144-W150 HydrophobicContact CD2-CH2 4.27Å; L144-W150 HydrophobicContact CD2-CZ2 3.84Å; L144-Q171 VanDerWaalsContact CB-OE1 3.26Å; L144-Q171 PolarHBondContact O-NE2 2.91Å
145Q98.1Very high90.9Very high0 Ų028.3 Ų28.30%015%0.151CC..THydrogen-bonded Turntrans-69.4-4.2163-73162.23.500113.2A141 R143 N174 I202 Y239A141-Q145 VanDerWaalsContact O-CG 3.28Å; A141-Q145 WeakPolarHBondContact O-CG 3.37Å; A141-Q145 PolarHBondContact O-N 3.3Å; R143-Q145 VanDerWaalsContact C-N 3.32Å; Q145-N174 PolarHBondContact NE2-OD1 3.06Å; Q145-I202 HydrophobicContact CB-CG2 4.2Å; Q145-Y239 WeakPolarHBondContact O-CE2 3.07Å; Q145-Y239 PolarHBondContact O-OH 2.9Å
146K96.4Very high88.8Confident3 Ų332 Ų321%0.01317%0.171CC..SBendtrans-123.5154.5-179.3-65.8175-83.4-71.60109.8G142 R143 L144 V148 S206 L225 F235 L238G142-K146 WeakPolarHBondContact O-CE 3.43Å; G142-K146 PolarHBondContact O-NZ 3.18Å; R143-K146 PolarHBondContact O-N 3.49Å; L144-K146 PolarHBondContact O-N 2.73Å; K146-V148 PolarHBondContact O-N 3.25Å; K146-S206 PolarHBondContact NZ-OG 3.07Å; K146-L225 HydrophobicContact CD-CD1 4.24Å; K146-F235 HydrophobicContact CB-CE1 4.31Å; K146-F235 HydrophobicContact CB-CZ 4.18Å; K146-F235 HydrophobicContact CG-CE1 4.03Å; K146-F235 HydrophobicContact CG-CZ 3.93Å; K146-L238 VanDerWaalsContact C-CD2 3.47Å
147P94.5Very high87Confident16 Ų1635.7 Ų35.710%0.10418%0.183CC..  trans-52.4130.2178.9-28.635.3000112.4F35 R143 E234 F235 L238F35-P147 HydrophobicContact CE1-CB 4.08Å; F35-P147 HydrophobicContact CZ-CB 4.28Å; R143-P147 PolarHBondContact NH2-O 2.67Å; P147-E234 HydrophobicContact CB-CB 4.08Å; P147-E234 HydrophobicContact CG-CB 3.72Å; P147-F235 HydrophobicContact CG-CD1 4.46Å; P147-F235 HydrophobicContact CG-CD2 3.99Å; P147-F235 HydrophobicContact CG-CE2 4.12Å; P147-F235 HydrophobicContact CG-CG 4.16Å; P147-F235 HydrophobicContact CG-CZ 4.43Å; P147-L238 HydrophobicContact CG-CD2 4.43Å
148V93.5Very high84.8Confident22 Ų2238 Ų3813%0.13321%0.205CC..  trans-128.3154.9172.8-70.70000109F28 R143 L144 K146 W150F28-V148 HydrophobicContact CB-CB 4.21Å; F28-V148 HydrophobicContact CB-CG2 4.31Å; F28-V148 HydrophobicContact CD2-CB 4Å; F28-V148 HydrophobicContact CD2-CG1 3.71Å; F28-V148 HydrophobicContact CE2-CG1 4.06Å; F28-V148 HydrophobicContact CG-CB 4.33Å; F28-V148 HydrophobicContact CG-CG1 4.44Å; F28-V148 HydrophobicContact CG-CG2 4.45Å; R143-V148 VanDerWaalsContact NH2-CG1 3.29Å; L144-V148 HydrophobicContact CD2-CB 4.44Å; L144-V148 HydrophobicContact CD2-CG1 3.95Å; L144-V148 HydrophobicContact CD2-CG2 3.71Å; K146-V148 PolarHBondContact O-N 3.25Å; V148-W150 HydrophobicContact CG2-CD2 4.43Å; V148-W150 HydrophobicContact CG2-CG 4.42Å; V148-W150 HydrophobicContact CG2-CZ2 4.4Å
149L91.9Very high82.3Confident28 Ų2840 Ų4015%0.14722%0.218CC..EExtended strand (participates in β ladder)trans-98.3102171.5177.865.4000107.9V7 L10 F28 A29 V34 F35V7-L149 HydrophobicContact CG2-CD1 3.91Å; V7-L149 HydrophobicContact CG2-CD2 3.76Å; V7-L149 HydrophobicContact CG2-CG 4.32Å; L10-L149 HydrophobicContact CD1-CD2 3.67Å; F28-L149 CarbonylContact C-O 3.58Å; F28-L149 VanDerWaalsContact CA-O 3.26Å; F28-L149 WeakPolarHBondContact CA-O 3.35Å; A29-L149 HydrophobicContact CB-CB 4.42Å; A29-L149 PolarHBondContact N-O 3.49Å; A29-L149 PolarHBondContact O-N 3.01Å; V34-L149 HydrophobicContact CG1-CB 3.47Å; V34-L149 VanDerWaalsContact CG1-CB 3.47Å; V34-L149 HydrophobicContact CG1-CD2 3.74Å; V34-L149 HydrophobicContact CG1-CG 4.26Å; F35-L149 HydrophobicContact CE2-CB 4.24Å; F35-L149 HydrophobicContact CZ-CB 4.12Å
150W91.9Very high80Confident39 Ų3943.8 Ų43.815%0.14825%0.247CC..EExtended strand (participates in β ladder)trans-67.8135171-67.1102.7000109.9A26 F28 I52 L144 V148 Q161 Y163 L167A26-W150 HydrophobicContact CB-CZ3 4.14Å; F28-W150 HydrophobicContact CB-CD2 4.02Å; F28-W150 HydrophobicContact CB-CE3 3.82Å; F28-W150 HydrophobicContact CB-CG 4.44Å; F28-W150 HydrophobicContact CB-CZ3 4.27Å; F28-W150 HydrophobicContact CD1-CE3 4.12Å; F28-W150 AromaticContact CD1-CH2 3.89Å; F28-W150 HydrophobicContact CD1-CH2 3.89Å; F28-W150 AromaticContact CD1-CZ3 3.68Å; F28-W150 HydrophobicContact CD1-CZ3 3.68Å; F28-W150 HydrophobicContact CE1-CH2 4.45Å; F28-W150 HydrophobicContact CG-CE3 4.44Å; F28-W150 HydrophobicContact CG-CZ3 4.42Å; I52-W150 HydrophobicContact CD1-CH2 4.18Å; I52-W150 HydrophobicContact CD1-CZ3 3.83Å; L144-W150 HydrophobicContact CD1-CH2 4.43Å; L144-W150 HydrophobicContact CD1-CZ2 4.47Å; L144-W150 HydrophobicContact CD2-CH2 4.27Å; L144-W150 HydrophobicContact CD2-CZ2 3.84Å; V148-W150 HydrophobicContact CG2-CD2 4.43Å; V148-W150 HydrophobicContact CG2-CG 4.42Å; V148-W150 HydrophobicContact CG2-CZ2 4.4Å; W150-Q161 VanDerWaalsContact CB-NE2 3.28Å; W150-Q161 PolarHBondContact O-NE2 3.05Å; W150-Y163 HydrophobicContact CB-CE1 3.95Å; W150-Y163 WeakPolarHBondContact CB-OH 3.5Å; W150-Y163 HydrophobicContact CD2-CD1 4.5Å; W150-Y163 AromaticContact CD2-CE1 3.51Å; W150-Y163 HydrophobicContact CD2-CE1 3.51Å; W150-Y163 AromaticContact CD2-CZ 3.87Å; W150-Y163 HydrophobicContact CE3-CD1 4.21Å; W150-Y163 AromaticContact CE3-CE1 3.49Å; W150-Y163 HydrophobicContact CE3-CE1 3.49Å; W150-Y163 VanDerWaalsContact CE3-CE1 3.49Å; W150-Y163 AromaticContact CG-CE1 3.75Å; W150-Y163 HydrophobicContact CG-CE1 3.75Å; W150-Y163 AromaticContact CG-CZ 3.68Å; W150-Y163 HydrophobicContact CZ3-CD1 4.43Å; W150-Y163 HydrophobicContact CZ3-CE1 4.13Å; W150-L167 HydrophobicContact CH2-CD2 3.92Å; W150-L167 HydrophobicContact CH2-CG 4.44Å; W150-L167 HydrophobicContact CZ3-CD2 4.06Å
151I89.5Confident78Confident5 Ų546.6 Ų46.63%0.02626%0.261CS..PPolyproline II helixtrans-92.9126.2-177.4-58.9173000108.5L10 K11 I14 S27 A29 L49 Q161L10-I151 HydrophobicContact CB-CD1 4.04Å; L10-I151 HydrophobicContact CB-CG1 4.36Å; K11-I151 HydrophobicContact CB-CG2 4.2Å; I14-I151 HydrophobicContact CB-CG2 4.46Å; I14-I151 HydrophobicContact CD1-CD1 4.12Å; I14-I151 HydrophobicContact CG1-CD1 3.52Å; I14-I151 HydrophobicContact CG1-CG2 4.14Å; S27-I151 PolarHBondContact O-N 2.97Å; A29-I151 HydrophobicContact CB-CD1 4.36Å; L49-I151 HydrophobicContact CD2-CD1 3.47Å; L49-I151 VanDerWaalsContact CD2-CD1 3.47Å; I151-Q161 PolarHBondContact O-NE2 3.21Å; I151-Q161 VanDerWaalsContact O-NE2 3.08Å
152P82.1Confident75.8Confident14 Ų1452.8 Ų52.89%0.09130%0.298CS..PPolyproline II helixtrans-71.8138.6-175.923.8-28.4000111.2V7 F157 Q161V7-P152 HydrophobicContact CG1-CG 4.06Å; P152-F157 HydrophobicContact CG-CD1 3.62Å; P152-F157 HydrophobicContact CG-CE1 3.89Å; P152-Q161 HydrophobicContact CB-CG 4.42Å; P152-Q161 VanDerWaalsContact N-NE2 3.17Å
153N75.5Confident74.4Confident77 Ų7755.5 Ų55.541%0.41231%0.308SS..SBendtrans-76.9-39.9178-68.9-6.6000111K11 Y24 V25K11-N153 WeakPolarHBondContact CE-O 3.48Å; Y24-N153 WeakPolarHBondContact CE1-OD1 3.45Å; Y24-N153 PolarHBondContact OH-OD1 3.22Å; V25-N153 PolarHBondContact O-ND2 3.39Å
154E69.2Low73.8Confident124 Ų12455.8 Ų55.858%0.57931%0.312SS*.SBendtrans-86.2159.3-180-63.8-173.8179.100112K11 D156K11-E154 WeakPolarHBondContact CE-O 3.48Å; E154-D156 PolarHBondContact O-N 2.83Å
155S56Low73.4Confident105 Ų10562.4 Ų62.473%0.73435%0.348SS*.SBendtrans-67.5-21.4176.738.10000113.2F157S155-F157 PolarHBondContact O-N 2.63Å
156D55.2Low73.2Confident77 Ų7769.3 Ų69.341%0.41238%0.378SS..  trans-83.6107.7176.6-164-14.4000110.6E154 S158 S159E154-D156 PolarHBondContact O-N 2.83Å; D156-S158 PolarHBondContact O-N 2.8Å; D156-S158 VanDerWaalsContact OD1-CB 3.26Å; D156-S158 WeakPolarHBondContact OD1-CB 3.3Å; D156-S158 PolarHBondContact OD1-N 3.1Å; D156-S158 PolarHBondContact OD1-OG 2.89Å; D156-S159 PolarHBondContact O-N 3.41Å
157F58.2Low73.1Confident115 Ų11569.2 Ų69.250%0.50438%0.378SS..THydrogen-bonded Turntrans-71.3-11.1177.2-60.1-76.7000113.1V7 K11 P152 S155V7-F157 HydrophobicContact CG1-CD1 3.57Å; V7-F157 HydrophobicContact CG1-CE1 3.68Å; K11-F157 HydrophobicContact CB-CE1 4.41Å; K11-F157 HydrophobicContact CD-CE1 4.08Å; K11-F157 HydrophobicContact CD-CZ 4.18Å; P152-F157 HydrophobicContact CG-CD1 3.62Å; P152-F157 HydrophobicContact CG-CE1 3.89Å; S155-F157 PolarHBondContact O-N 2.63Å
158S50.8Low73.1Confident101 Ų10171.1 Ų71.171%0.70639%0.39SS*.THydrogen-bonded Turntrans-88.1-23.4178.4-14.20000112.4D156D156-S158 PolarHBondContact O-N 2.8Å; D156-S158 VanDerWaalsContact OD1-CB 3.26Å; D156-S158 WeakPolarHBondContact OD1-CB 3.3Å; D156-S158 PolarHBondContact OD1-N 3.1Å; D156-S158 PolarHBondContact OD1-OG 2.89Å
159S43.8Very low73.1Confident43 Ų4372.9 Ų72.930%0.30141%0.408SS..SBendtrans-64.5132.2-178.1-72.40000110.2D156 Q161D156-S159 PolarHBondContact O-N 3.41Å; S159-Q161 PolarHBondContact O-N 3.35Å; S159-Q161 VanDerWaalsContact O-N 3.16Å
160P47.9Very low73.4Confident114 Ų11472.2 Ų72.274%0.7441%0.405SS*.  trans-53.4126.5170.3-17.227.5000107.9V162P160-V162 PolarHBondContact O-N 3.38Å
161Q55.3Low73.7Confident65 Ų6571.1 Ų71.130%0.30440%0.401SS..  trans-58.3110.9176.1-94.5157.9-41.100109W150 I151 P152 S159 Y163W150-Q161 VanDerWaalsContact CB-NE2 3.28Å; W150-Q161 PolarHBondContact O-NE2 3.05Å; I151-Q161 PolarHBondContact O-NE2 3.21Å; I151-Q161 VanDerWaalsContact O-NE2 3.08Å; P152-Q161 HydrophobicContact CB-CG 4.42Å; P152-Q161 VanDerWaalsContact N-NE2 3.17Å; S159-Q161 PolarHBondContact O-N 3.35Å; S159-Q161 VanDerWaalsContact O-N 3.16Å; Q161-Y163 VanDerWaalsContact C-N 3.27Å; Q161-Y163 HydrophobicContact CB-CD1 4.43Å; Q161-Y163 HydrophobicContact CB-CD2 4.04Å; Q161-Y163 HydrophobicContact CB-CE1 3.86Å; Q161-Y163 HydrophobicContact CB-CE2 3.41Å; Q161-Y163 VanDerWaalsContact CB-CE2 3.41Å; Q161-Y163 WeakPolarHBondContact CB-OH 3.15Å; Q161-Y163 HydrophobicContact CG-CE1 4.35Å; Q161-Y163 WeakPolarHBondContact O-CD2 3.24Å; Q161-Y163 WeakPolarHBondContact O-CE2 3.45Å; Q161-Y163 PolarHBondContact O-N 2.94Å; Q161-Y163 PolarHBondContact OE1-OH 3.24Å
162V52.3Low74Confident129 Ų12974 Ų7478%0.78242%0.417SS*.  trans-74.989.9170.3-175.60000106.2P160P160-V162 PolarHBondContact O-N 3.38Å
163Y66.7Low74.7Confident57 Ų5778.1 Ų78.122%0.22443%0.433CS..  trans-74.6157.9170.3-58.6-74.8000109.5W150 Q161 D165W150-Y163 HydrophobicContact CB-CE1 3.95Å; W150-Y163 WeakPolarHBondContact CB-OH 3.5Å; W150-Y163 HydrophobicContact CD2-CD1 4.5Å; W150-Y163 AromaticContact CD2-CE1 3.51Å; W150-Y163 HydrophobicContact CD2-CE1 3.51Å; W150-Y163 AromaticContact CD2-CZ 3.87Å; W150-Y163 HydrophobicContact CE3-CD1 4.21Å; W150-Y163 AromaticContact CE3-CE1 3.49Å; W150-Y163 HydrophobicContact CE3-CE1 3.49Å; W150-Y163 VanDerWaalsContact CE3-CE1 3.49Å; W150-Y163 AromaticContact CG-CE1 3.75Å; W150-Y163 HydrophobicContact CG-CE1 3.75Å; W150-Y163 AromaticContact CG-CZ 3.68Å; W150-Y163 HydrophobicContact CZ3-CD1 4.43Å; W150-Y163 HydrophobicContact CZ3-CE1 4.13Å; Q161-Y163 VanDerWaalsContact C-N 3.27Å; Q161-Y163 HydrophobicContact CB-CD1 4.43Å; Q161-Y163 HydrophobicContact CB-CD2 4.04Å; Q161-Y163 HydrophobicContact CB-CE1 3.86Å; Q161-Y163 HydrophobicContact CB-CE2 3.41Å; Q161-Y163 VanDerWaalsContact CB-CE2 3.41Å; Q161-Y163 WeakPolarHBondContact CB-OH 3.15Å; Q161-Y163 HydrophobicContact CG-CE1 4.35Å; Q161-Y163 WeakPolarHBondContact O-CD2 3.24Å; Q161-Y163 WeakPolarHBondContact O-CE2 3.45Å; Q161-Y163 PolarHBondContact O-N 2.94Å; Q161-Y163 PolarHBondContact OE1-OH 3.24Å; Y163-D165 PolarHBondContact O-N 3.45Å
164D83.9Confident75.8Confident37 Ų3774.4 Ų74.420%0.19841%0.414CS..  trans-49.4124158.4-177-75.4000109.3V25 K166 L167 C168V25-D164 HydrophobicContact CG1-CB 3.95Å; D164-K166 PolarHBondContact O-N 3.31Å; D164-K166 WeakPolarHBondContact OD1-CA 3.42Å; D164-K166 VanDerWaalsContact OD1-CB 3.23Å; D164-K166 WeakPolarHBondContact OD1-CB 3.28Å; D164-K166 PolarHBondContact OD1-N 3.06Å; D164-L167 HydrophobicContact CB-CB 4.08Å; D164-L167 WeakPolarHBondContact O-CA 3.4Å; D164-L167 WeakPolarHBondContact O-CB 3.26Å; D164-L167 PolarHBondContact O-N 2.84Å; D164-L167 PolarHBondContact OD1-N 3.39Å; D164-C168 PolarHBondContact O-N 2.57Å; D164-C168 VanDerWaalsContact O-N 3.08Å
165D89.4Confident77.2Confident139 Ų13968.8 Ų68.874%0.74339%0.387SS*.Hα-helixtrans-57.3-34.9-174.3-70-31.5000112Y163 L167 C168 A169Y163-D165 PolarHBondContact O-N 3.45Å; D165-L167 VanDerWaalsContact C-N 3.34Å; D165-C168 PolarHBondContact O-N 3Å; D165-A169 WeakPolarHBondContact O-CB 3.29Å; D165-A169 PolarHBondContact O-N 3.13Å
166K94Very high79.3Confident145 Ų14565.5 Ų65.563%0.6336%0.361SS*.Hα-helixtrans-68.1-37.4178-56.2178.9177.7178.30110.8L129 D164 S170L129-K166 HydrophobicContact CD1-CB 3.97Å; L129-K166 HydrophobicContact CD1-CD 4.4Å; L129-K166 HydrophobicContact CD2-CB 4.41Å; D164-K166 PolarHBondContact O-N 3.31Å; D164-K166 WeakPolarHBondContact OD1-CA 3.42Å; D164-K166 VanDerWaalsContact OD1-CB 3.23Å; D164-K166 WeakPolarHBondContact OD1-CB 3.28Å; D164-K166 PolarHBondContact OD1-N 3.06Å; K166-S170 VanDerWaalsContact O-CB 3.23Å; K166-S170 WeakPolarHBondContact O-CB 3.39Å; K166-S170 PolarHBondContact O-N 2.96Å; K166-S170 PolarHBondContact O-OG 3.03Å
167L94.6Very high81.3Confident2 Ų261.9 Ų61.91%0.0134%0.343CS..Hα-helixtrans-64-46.1175178.458.7000111.2A26 I52 L125 L128 L129 L132 W150 D164 D165 S170 Q171A26-L167 HydrophobicContact CB-CD2 4.32Å; I52-L167 HydrophobicContact CD1-CD2 4.06Å; L125-L167 HydrophobicContact CD1-CB 4.36Å; L128-L167 HydrophobicContact CD2-CD1 3.62Å; L128-L167 HydrophobicContact CG-CD1 4.19Å; L129-L167 HydrophobicContact CD2-CB 4.25Å; L129-L167 HydrophobicContact CD2-CD1 4.27Å; L132-L167 HydrophobicContact CD1-CD1 3.69Å; W150-L167 HydrophobicContact CH2-CD2 3.92Å; W150-L167 HydrophobicContact CH2-CG 4.44Å; W150-L167 HydrophobicContact CZ3-CD2 4.06Å; D164-L167 HydrophobicContact CB-CB 4.08Å; D164-L167 WeakPolarHBondContact O-CA 3.4Å; D164-L167 WeakPolarHBondContact O-CB 3.26Å; D164-L167 PolarHBondContact O-N 2.84Å; D164-L167 PolarHBondContact OD1-N 3.39Å; D165-L167 VanDerWaalsContact C-N 3.34Å; L167-S170 PolarHBondContact O-N 2.68Å; L167-Q171 VanDerWaalsContact O-CB 3.24Å; L167-Q171 WeakPolarHBondContact O-CB 3.37Å; L167-Q171 PolarHBondContact O-N 2.87Å
168C92.8Very high83.3Confident55 Ų5556.4 Ų56.437%0.37232%0.319SS..Hα-helixtrans-60.2-49177.2-173.40000111.6D164 D165 S170 Q171 N172D164-C168 PolarHBondContact O-N 2.57Å; D164-C168 VanDerWaalsContact O-N 3.08Å; D165-C168 PolarHBondContact O-N 3Å; C168-S170 PolarHBondContact O-N 3.32Å; C168-Q171 PolarHBondContact O-N 3.43Å; C168-N172 PolarHBondContact O-N 2.76Å; C168-N172 PolarHBondContact O-ND2 2.76Å
169A95.3Very high85.5Confident60 Ų6051.7 Ų51.750%0.49629%0.285SS..Hα-helixtrans-61.2-45.7178.200000112.6D165 Q171 N172 K173D165-A169 WeakPolarHBondContact O-CB 3.29Å; D165-A169 PolarHBondContact O-N 3.13Å; A169-Q171 VanDerWaalsContact C-N 3.32Å; A169-Q171 PolarHBondContact O-N 3.19Å; A169-N172 PolarHBondContact O-N 2.76Å; A169-K173 PolarHBondContact O-N 3.49Å
170S97.2Very high88.1Confident13 Ų1349.6 Ų49.69%0.09127%0.271CS..Hα-helixtrans-65.9-36.3179.4-56.60000111.8C133 K166 L167 C168 K173 N174C133-S170 PolarHBondContact SG-OG 3.43Å; K166-S170 VanDerWaalsContact O-CB 3.23Å; K166-S170 WeakPolarHBondContact O-CB 3.39Å; K166-S170 PolarHBondContact O-N 2.96Å; K166-S170 PolarHBondContact O-OG 3.03Å; L167-S170 PolarHBondContact O-N 2.68Å; C168-S170 PolarHBondContact O-N 3.32Å; S170-K173 PolarHBondContact O-N 2.77Å; S170-N174 WeakPolarHBondContact O-CB 3.25Å; S170-N174 PolarHBondContact O-N 2.86Å
171Q97.2Very high90.5Very high16 Ų1644.7 Ų44.78%0.07524%0.238CC..Hα-helixtrans-67.1-43175.4176.457.613.800111.9L132 L144 L167 C168 A169 K173 N174 L175L132-Q171 VanDerWaalsContact CD2-OE1 3.23Å; L144-Q171 VanDerWaalsContact CB-OE1 3.26Å; L144-Q171 PolarHBondContact O-NE2 2.91Å; L167-Q171 VanDerWaalsContact O-CB 3.24Å; L167-Q171 WeakPolarHBondContact O-CB 3.37Å; L167-Q171 PolarHBondContact O-N 2.87Å; C168-Q171 PolarHBondContact O-N 3.43Å; A169-Q171 VanDerWaalsContact C-N 3.32Å; A169-Q171 PolarHBondContact O-N 3.19Å; Q171-K173 VanDerWaalsContact C-N 3.31Å; Q171-K173 PolarHBondContact O-N 3.18Å; Q171-N174 WeakPolarHBondContact O-CB 3.28Å; Q171-N174 PolarHBondContact O-N 3.05Å; Q171-N174 PolarHBondContact OE1-ND2 3.14Å; Q171-L175 HydrophobicContact CG-CD1 4.33Å; Q171-L175 WeakPolarHBondContact O-CG 3.46Å; Q171-L175 PolarHBondContact O-N 3.38Å
172N96.6Very high92.6Very high65 Ų6541.6 Ų41.635%0.34822%0.223SC..Hα-helixtrans-60.8-41.1174.6-73.6-30000111.6C168 A169 L175 L176C168-N172 PolarHBondContact O-N 2.76Å; C168-N172 PolarHBondContact O-ND2 2.76Å; A169-N172 PolarHBondContact O-N 2.76Å; N172-L175 PolarHBondContact O-N 3.12Å; N172-L176 WeakPolarHBondContact O-CB 3.41Å; N172-L176 PolarHBondContact O-N 3.34Å
173K97.7Very high94.7Very high101 Ų10135.4 Ų35.444%0.43919%0.186SC..Hα-helixtrans-60.9-45.7173.8-171.2179.7179.6-173.30111.7A169 S170 Q171 L175 L176 A177A169-K173 PolarHBondContact O-N 3.49Å; S170-K173 PolarHBondContact O-N 2.77Å; Q171-K173 VanDerWaalsContact C-N 3.31Å; Q171-K173 PolarHBondContact O-N 3.18Å; K173-L175 VanDerWaalsContact C-N 3.35Å; K173-L175 PolarHBondContact O-N 3.22Å; K173-L176 PolarHBondContact O-N 3.18Å; K173-A177 VanDerWaalsContact O-CB 3.3Å; K173-A177 WeakPolarHBondContact O-CB 3.49Å; K173-A177 PolarHBondContact O-N 3.11Å
174N98.6Very high96.2Very high0 Ų032.7 Ų32.70%018%0.175CC..Hα-helixtrans-59.4-42.9177.1177.637.5000112.4L132 W135 A141 Q145 S170 Q171 S178L132-N174 HydrophobicContact CB-CB 4.39Å; L132-N174 HydrophobicContact CD2-CB 3.77Å; L132-N174 VanDerWaalsContact CD2-ND2 3.27Å; L132-N174 WeakPolarHBondContact CD2-ND2 3.15Å; W135-N174 PolarHBondContact NE1-OD1 3.35Å; A141-N174 PolarHBondContact O-ND2 2.77Å; Q145-N174 PolarHBondContact NE2-OD1 3.06Å; S170-N174 WeakPolarHBondContact O-CB 3.25Å; S170-N174 PolarHBondContact O-N 2.86Å; Q171-N174 WeakPolarHBondContact O-CB 3.28Å; Q171-N174 PolarHBondContact O-N 3.05Å; Q171-N174 PolarHBondContact OE1-ND2 3.14Å; N174-S178 PolarHBondContact O-N 2.98Å; N174-S178 PolarHBondContact O-OG 3.07Å
175L98.6Very high96.8Very high5 Ų532 Ų323%0.02617%0.17CC..Hα-helixtrans-68.2-43.3177.6-65.1174000111.9Q171 N172 K173 A177 S178 V179 L238 Y239 A242Q171-L175 HydrophobicContact CG-CD1 4.33Å; Q171-L175 WeakPolarHBondContact O-CG 3.46Å; Q171-L175 PolarHBondContact O-N 3.38Å; N172-L175 PolarHBondContact O-N 3.12Å; K173-L175 VanDerWaalsContact C-N 3.35Å; K173-L175 PolarHBondContact O-N 3.22Å; L175-A177 VanDerWaalsContact C-N 3.31Å; L175-A177 PolarHBondContact O-N 3.35Å; L175-S178 PolarHBondContact O-N 2.98Å; L175-S178 PolarHBondContact O-OG 3.29Å; L175-V179 WeakPolarHBondContact O-CG1 3.47Å; L175-V179 PolarHBondContact O-N 3.25Å; L175-V179 VanDerWaalsContact O-N 3.09Å; L175-L238 HydrophobicContact CD1-CD1 3.78Å; L175-L238 HydrophobicContact CD1-CG 4.11Å; L175-L238 WeakPolarHBondContact CD1-O 3.47Å; L175-L238 HydrophobicContact CD2-CD1 4.14Å; L175-L238 HydrophobicContact CD2-CD2 4.07Å; L175-L238 HydrophobicContact CD2-CG 3.9Å; L175-Y239 HydrophobicContact CB-CD1 4.27Å; L175-Y239 HydrophobicContact CB-CE1 3.95Å; L175-Y239 HydrophobicContact CD2-CD1 4.45Å; L175-Y239 HydrophobicContact CD2-CE1 3.79Å; L175-Y239 HydrophobicContact CD2-CE2 4.09Å; L175-Y239 WeakPolarHBondContact CD2-OH 3.4Å; L175-Y239 HydrophobicContact CG-CE1 4.47Å; L175-Y239 WeakPolarHBondContact O-CE1 3.23Å; L175-A242 HydrophobicContact CB-CB 4.32Å
176L98.4Very high97.2Very high36 Ų3626 Ų2619%0.18814%0.138CC..Hα-helixtrans-62.6-40.4176.2-177.259.7000111.7N172 K173 V179 S180 A242 L246 N285N172-L176 WeakPolarHBondContact O-CB 3.41Å; N172-L176 PolarHBondContact O-N 3.34Å; K173-L176 PolarHBondContact O-N 3.18Å; L176-V179 HydrophobicContact CD1-CG1 4.3Å; L176-V179 VanDerWaalsContact O-CG1 3.23Å; L176-V179 WeakPolarHBondContact O-CG1 3.29Å; L176-S180 WeakPolarHBondContact O-CB 3.23Å; L176-S180 PolarHBondContact O-N 2.7Å; L176-S180 VanDerWaalsContact O-N 3.07Å; L176-S180 PolarHBondContact O-OG 3.27Å; L176-A242 HydrophobicContact CB-CB 4.41Å; L176-A242 HydrophobicContact CD1-CB 4.42Å; L176-L246 HydrophobicContact CD1-CD2 3.97Å; L176-L246 HydrophobicContact CD1-CG 3.91Å; L176-N285 HydrophobicContact CG-CB 4.17Å
177A98.7Very high97.2Very high2 Ų220.8 Ų20.82%0.01712%0.115CC..Hα-helixtrans-62.8-44.2175.200000111.9W135 K173 L175 S180 Y181 N285 I286W135-A177 HydrophobicContact CH2-CB 4Å; W135-A177 HydrophobicContact CZ2-CB 3.43Å; W135-A177 VanDerWaalsContact CZ2-CB 3.43Å; K173-A177 VanDerWaalsContact O-CB 3.3Å; K173-A177 WeakPolarHBondContact O-CB 3.49Å; K173-A177 PolarHBondContact O-N 3.11Å; L175-A177 VanDerWaalsContact C-N 3.31Å; L175-A177 PolarHBondContact O-N 3.35Å; A177-S180 PolarHBondContact O-N 2.8Å; A177-Y181 WeakPolarHBondContact O-CB 3.3Å; A177-Y181 PolarHBondContact O-N 3.34Å; A177-N285 WeakPolarHBondContact CA-O 3.14Å; A177-N285 WeakPolarHBondContact CB-O 3.11Å; A177-I286 VanDerWaalsContact O-CD1 3.31Å; A177-I286 WeakPolarHBondContact O-CD1 3.3Å
178S98.7Very high97.1Very high0 Ų023.1 Ų23.10%013%0.13CC..Hα-helixtrans-70.2-38.7-176.766.20000112.8N174 L175 Y181 S182 Y239N174-S178 PolarHBondContact O-N 2.98Å; N174-S178 PolarHBondContact O-OG 3.07Å; L175-S178 PolarHBondContact O-N 2.98Å; L175-S178 PolarHBondContact O-OG 3.29Å; S178-Y181 PolarHBondContact O-N 2.87Å; S178-S182 WeakPolarHBondContact O-CB 3.22Å; S178-S182 PolarHBondContact O-N 2.82Å; S178-Y239 VanDerWaalsContact OG-CE1 3.29Å; S178-Y239 WeakPolarHBondContact OG-CE1 3.49Å; S178-Y239 PolarHBondContact OG-OH 3.35Å
179V98.3Very high97Very high1 Ų127.5 Ų27.51%0.00614%0.143CC..Hα-helixtrans-67.1-40.1173.667.40000111.1L175 L176 Y181 S182 I183 L198 I202 Y239 A242 L243 L246L175-V179 WeakPolarHBondContact O-CG1 3.47Å; L175-V179 PolarHBondContact O-N 3.25Å; L175-V179 VanDerWaalsContact O-N 3.09Å; L176-V179 HydrophobicContact CD1-CG1 4.3Å; L176-V179 VanDerWaalsContact O-CG1 3.23Å; L176-V179 WeakPolarHBondContact O-CG1 3.29Å; V179-Y181 PolarHBondContact O-N 3.09Å; V179-S182 WeakPolarHBondContact O-CB 3.26Å; V179-S182 PolarHBondContact O-N 3.47Å; V179-I183 HydrophobicContact CG2-CD1 4.34Å; V179-I183 WeakPolarHBondContact O-CG1 3.37Å; V179-I183 PolarHBondContact O-N 3.23Å; V179-L198 HydrophobicContact CG2-CD1 4.12Å; V179-I202 HydrophobicContact CB-CD1 4.29Å; V179-Y239 HydrophobicContact CB-CD1 4.16Å; V179-Y239 HydrophobicContact CB-CE1 4.23Å; V179-A242 HydrophobicContact CG1-CB 4.15Å; V179-L243 HydrophobicContact CG2-CD2 4.06Å; V179-L246 HydrophobicContact CB-CD1 4.38Å; V179-L246 HydrophobicContact CG1-CD1 3.59Å; V179-L246 HydrophobicContact CG1-CG 4.49Å; V179-L246 HydrophobicContact CG2-CD1 3.9Å
180S98Very high96.9Very high0 Ų028.7 Ų28.70%014%0.141CC..Hα-helixtrans-63.8-42.8176.4-58.10000111.5L176 A177 S182 I183 L184 N285L176-S180 WeakPolarHBondContact O-CB 3.23Å; L176-S180 PolarHBondContact O-N 2.7Å; L176-S180 VanDerWaalsContact O-N 3.07Å; L176-S180 PolarHBondContact O-OG 3.27Å; A177-S180 PolarHBondContact O-N 2.8Å; S180-S182 VanDerWaalsContact C-N 3.34Å; S180-S182 PolarHBondContact O-N 3.29Å; S180-I183 PolarHBondContact O-N 2.89Å; S180-L184 VanDerWaalsContact O-CG 3.31Å; S180-L184 WeakPolarHBondContact O-CG 3.35Å; S180-L184 PolarHBondContact O-N 3.07Å; S180-N285 WeakPolarHBondContact OG-CB 3.35Å; S180-N285 PolarHBondContact OG-ND2 3.3Å
181Y98.6Very high96.7Very high10 Ų1030.2 Ų30.24%0.03915%0.146CC..Hα-helixtrans-58.2-47.2172.4176.6-91.6000111.1A177 S178 V179 I183 L184 Q185 I205 L322 Q323 L326A177-Y181 WeakPolarHBondContact O-CB 3.3Å; A177-Y181 PolarHBondContact O-N 3.34Å; S178-Y181 PolarHBondContact O-N 2.87Å; V179-Y181 PolarHBondContact O-N 3.09Å; Y181-I183 VanDerWaalsContact C-N 3.31Å; Y181-I183 PolarHBondContact O-N 3.33Å; Y181-L184 WeakPolarHBondContact O-CB 3.43Å; Y181-L184 PolarHBondContact O-N 3.5Å; Y181-L184 VanDerWaalsContact O-N 3.14Å; Y181-Q185 HydrophobicContact CD1-CG 3.85Å; Y181-Q185 HydrophobicContact CD2-CG 4.44Å; Y181-Q185 HydrophobicContact CE1-CG 3.41Å; Y181-Q185 VanDerWaalsContact CE1-CG 3.41Å; Y181-Q185 HydrophobicContact CE2-CG 4.07Å; Y181-Q185 HydrophobicContact CG-CG 4.35Å; Y181-Q185 VanDerWaalsContact O-CG 3.3Å; Y181-Q185 WeakPolarHBondContact O-CG 3.44Å; Y181-Q185 PolarHBondContact O-N 2.92Å; Y181-I205 HydrophobicContact CD1-CD1 3.61Å; Y181-I205 HydrophobicContact CD1-CG1 3.7Å; Y181-I205 HydrophobicContact CE1-CD1 4.17Å; Y181-I205 HydrophobicContact CE1-CG1 3.71Å; Y181-I205 HydrophobicContact CG-CD1 4.24Å; Y181-L322 HydrophobicContact CE2-CB 4.03Å; Y181-Q323 WeakPolarHBondContact OH-CG 3.4Å; Y181-L326 HydrophobicContact CD2-CD1 3.88Å; Y181-L326 HydrophobicContact CE1-CD1 4.23Å; Y181-L326 HydrophobicContact CE2-CD1 3.39Å; Y181-L326 HydrophobicContact CE2-CG 4.13Å; Y181-L326 HydrophobicContact CG-CD1 4.47Å
182S98.3Very high96.5Very high0 Ų032.4 Ų32.40%016%0.162CC..Hα-helixtrans-59.3-41.7179.9-170.30000112.9S178 V179 S180 Q185 N186 L198 T201S178-S182 WeakPolarHBondContact O-CB 3.22Å; S178-S182 PolarHBondContact O-N 2.82Å; V179-S182 WeakPolarHBondContact O-CB 3.26Å; V179-S182 PolarHBondContact O-N 3.47Å; S180-S182 VanDerWaalsContact C-N 3.34Å; S180-S182 PolarHBondContact O-N 3.29Å; S182-Q185 PolarHBondContact O-N 3.32Å; S182-N186 PolarHBondContact O-N 3.03Å; S182-N186 PolarHBondContact O-ND2 2.94Å; S182-L198 WeakPolarHBondContact OG-CD1 3.49Å; S182-L198 PolarHBondContact OG-O 3.16Å; S182-L198 VanDerWaalsContact OG-O 3.04Å; S182-T201 VanDerWaalsContact OG-CB 3.25Å; S182-T201 WeakPolarHBondContact OG-CB 3.26Å; S182-T201 WeakPolarHBondContact OG-CG2 3.47Å
183I97.4Very high96.4Very high0 Ų029.3 Ų29.30%015%0.145CC..Hα-helixtrans-60.6-50.3173.4-69.2164.5000110.4V179 S180 Y181 Q185 N186 Y187 F191 L246 F251 L266 L282V179-I183 HydrophobicContact CG2-CD1 4.34Å; V179-I183 WeakPolarHBondContact O-CG1 3.37Å; V179-I183 PolarHBondContact O-N 3.23Å; S180-I183 PolarHBondContact O-N 2.89Å; Y181-I183 VanDerWaalsContact C-N 3.31Å; Y181-I183 PolarHBondContact O-N 3.33Å; I183-Q185 VanDerWaalsContact C-N 3.26Å; I183-Q185 PolarHBondContact O-N 2.74Å; I183-N186 PolarHBondContact O-N 2.88Å; I183-N186 VanDerWaalsContact O-N 3.11Å; I183-Y187 WeakPolarHBondContact O-CB 3.43Å; I183-Y187 PolarHBondContact O-N 2.89Å; I183-F191 HydrophobicContact CB-CZ 4.29Å; I183-F191 HydrophobicContact CG1-CZ 4.27Å; I183-F191 HydrophobicContact CG2-CE2 4.44Å; I183-F191 HydrophobicContact CG2-CZ 3.79Å; I183-L246 HydrophobicContact CD1-CD1 3.59Å; I183-F251 HydrophobicContact CD1-CD1 3.96Å; I183-F251 HydrophobicContact CD1-CE1 4.01Å; I183-F251 HydrophobicContact CD1-CG 4.23Å; I183-F251 HydrophobicContact CD1-CZ 4.33Å; I183-F251 HydrophobicContact CG1-CE1 4.4Å; I183-F251 HydrophobicContact CG2-CE1 3.58Å; I183-F251 HydrophobicContact CG2-CZ 3.71Å; I183-L266 HydrophobicContact CD1-CD2 3.87Å; I183-L266 HydrophobicContact CG1-CD2 3.7Å; I183-L282 HydrophobicContact CB-CD1 4.31Å; I183-L282 HydrophobicContact CD1-CD2 4.22Å; I183-L282 HydrophobicContact CG2-CD1 3.47Å; I183-L282 VanDerWaalsContact CG2-CD1 3.47Å; I183-L282 HydrophobicContact CG2-CD2 4.3Å
184L97.4Very high96.2Very high0 Ų026.4 Ų26.40%014%0.135CC..Hα-helixtrans-55.6-42.2178.8-71.1167.9000111.9S180 Y181 N186 I279 L282 L283 I286 N319 L322S180-L184 VanDerWaalsContact O-CG 3.31Å; S180-L184 WeakPolarHBondContact O-CG 3.35Å; S180-L184 PolarHBondContact O-N 3.07Å; Y181-L184 WeakPolarHBondContact O-CB 3.43Å; Y181-L184 PolarHBondContact O-N 3.5Å; Y181-L184 VanDerWaalsContact O-N 3.14Å; L184-N186 VanDerWaalsContact C-N 3.3Å; L184-N186 PolarHBondContact O-N 3.34Å; L184-I279 HydrophobicContact CD2-CD1 3.83Å; L184-I279 HydrophobicContact CD2-CG2 3.76Å; L184-L282 HydrophobicContact CD1-CB 4.27Å; L184-L282 HydrophobicContact CD2-CB 3.98Å; L184-L282 HydrophobicContact CD2-CD1 3.96Å; L184-L282 HydrophobicContact CG-CB 4.06Å; L184-L282 HydrophobicContact CG-CD1 4.21Å; L184-L283 HydrophobicContact CD1-CD2 3.7Å; L184-L283 HydrophobicContact CD1-CG 4.12Å; L184-L283 HydrophobicContact CD2-CG 4.47Å; L184-I286 HydrophobicContact CD1-CG1 4.17Å; L184-N319 PolarHBondContact O-ND2 2.81Å; L184-N319 VanDerWaalsContact O-ND2 3.07Å; L184-N319 PolarHBondContact O-OD1 3.21Å; L184-L322 HydrophobicContact CD1-CD1 4.28Å
185Q98Very high96Very high21 Ų2126.4 Ų26.410%0.09814%0.135CC..Hα-helixtrans-68.6-26.3-179.1-66.4-50-51.700114.1Y181 S182 I183 T201 N319 Q323Y181-Q185 HydrophobicContact CD1-CG 3.85Å; Y181-Q185 HydrophobicContact CD2-CG 4.44Å; Y181-Q185 HydrophobicContact CE1-CG 3.41Å; Y181-Q185 VanDerWaalsContact CE1-CG 3.41Å; Y181-Q185 HydrophobicContact CE2-CG 4.07Å; Y181-Q185 HydrophobicContact CG-CG 4.35Å; Y181-Q185 VanDerWaalsContact O-CG 3.3Å; Y181-Q185 WeakPolarHBondContact O-CG 3.44Å; Y181-Q185 PolarHBondContact O-N 2.92Å; S182-Q185 PolarHBondContact O-N 3.32Å; I183-Q185 VanDerWaalsContact C-N 3.26Å; I183-Q185 PolarHBondContact O-N 2.74Å; Q185-T201 HydrophobicContact CB-CG2 4.05Å; Q185-T201 HydrophobicContact CG-CG2 4.4Å; Q185-N319 VanDerWaalsContact CA-ND2 3.35Å; Q185-N319 WeakPolarHBondContact CA-ND2 3.26Å; Q185-N319 PolarHBondContact O-ND2 3.45Å; Q185-N319 VanDerWaalsContact O-ND2 3.08Å; Q185-N319 VanDerWaalsContact OE1-CB 3.28Å; Q185-Q323 VanDerWaalsContact OE1-CD 3.3Å; Q185-Q323 VanDerWaalsContact OE1-CG 3.29Å
186N97.2Very high95.7Very high13 Ų1328.7 Ų28.77%0.0714%0.143CC..Hα-helixtrans-104.5-22.9-174-78-74.3000113.4S182 I183 L184 K189 N190 F191 L193 T201S182-N186 PolarHBondContact O-N 3.03Å; S182-N186 PolarHBondContact O-ND2 2.94Å; I183-N186 PolarHBondContact O-N 2.88Å; I183-N186 VanDerWaalsContact O-N 3.11Å; L184-N186 VanDerWaalsContact C-N 3.3Å; L184-N186 PolarHBondContact O-N 3.34Å; N186-K189 PolarHBondContact O-N 3.48Å; N186-N190 HydrophobicContact CB-CB 4.1Å; N186-N190 PolarHBondContact O-N 3.07Å; N186-N190 PolarHBondContact OD1-ND2 3.32Å; N186-F191 HydrophobicContact CB-CE2 4Å; N186-L193 HydrophobicContact CB-CD1 3.88Å; N186-L193 HydrophobicContact CB-CD2 3.81Å; N186-L193 HydrophobicContact CB-CG 4.41Å; N186-T201 PolarHBondContact ND2-OG1 3.28Å; N186-T201 VanDerWaalsContact ND2-OG1 3.1Å
187Y93.6Very high95.5Very high36 Ų3629.6 Ų29.614%0.14115%0.148CC..THydrogen-bonded Turntrans-81.1140.1179.1-173.8-92.4000112.2I183 F191 W268 E275 I279I183-Y187 WeakPolarHBondContact O-CB 3.43Å; I183-Y187 PolarHBondContact O-N 2.89Å; Y187-F191 HydrophobicContact CD2-CB 4.35Å; Y187-F191 HydrophobicContact CD2-CD1 4.26Å; Y187-F191 AromaticContact CD2-CD2 3.75Å; Y187-F191 HydrophobicContact CD2-CD2 3.75Å; Y187-F191 HydrophobicContact CD2-CE2 4.12Å; Y187-F191 AromaticContact CD2-CG 3.83Å; Y187-F191 HydrophobicContact CD2-CG 3.83Å; Y187-F191 HydrophobicContact CG-CD2 4.25Å; Y187-F191 HydrophobicContact CG-CE2 4.36Å; Y187-W268 AromaticContact CD1-CZ3 3.9Å; Y187-W268 HydrophobicContact CD1-CZ3 3.9Å; Y187-W268 AromaticContact CD2-CE3 3.5Å; Y187-W268 HydrophobicContact CD2-CE3 3.5Å; Y187-W268 AromaticContact CD2-CZ3 3.61Å; Y187-W268 HydrophobicContact CD2-CZ3 3.61Å; Y187-W268 HydrophobicContact CE1-CE3 4.44Å; Y187-W268 HydrophobicContact CE1-CH2 4.41Å; Y187-W268 AromaticContact CE1-CZ3 3.63Å; Y187-W268 HydrophobicContact CE1-CZ3 3.63Å; Y187-W268 AromaticContact CE2-CE3 3.3Å; Y187-W268 HydrophobicContact CE2-CE3 3.3Å; Y187-W268 AromaticContact CE2-CZ3 3.33Å; Y187-W268 HydrophobicContact CE2-CZ3 3.33Å; Y187-W268 HydrophobicContact CG-CE3 4.18Å; Y187-W268 AromaticContact CG-CZ3 3.88Å; Y187-W268 HydrophobicContact CG-CZ3 3.88Å; Y187-W268 AromaticContact CZ-CE3 3.81Å; Y187-W268 AromaticContact CZ-CZ3 3.33Å; Y187-E275 HydrophobicContact CE1-CG 4Å; Y187-E275 WeakPolarHBondContact CE1-OE1 3.39Å; Y187-I279 HydrophobicContact CD1-CD1 4.16Å
188P92.1Very high95.4Very high51 Ų5129.5 Ų29.533%0.33115%0.147SC..THydrogen-bonded Turncis-88-12.2-3.733.2-34.2000114.3N190 F191P188-N190 PolarHBondContact O-N 2.79Å; P188-F191 PolarHBondContact O-N 2.85Å
189K92.2Very high95.3Very high147 Ų14729.5 Ų29.564%0.63915%0.147SC*.THydrogen-bonded Turntrans-61.3-36.8-165-75.4175.9168.4158.50115.1N186 H315N186-K189 PolarHBondContact O-N 3.48Å; K189-H315 WeakPolarHBondContact CE-NE2 3.16Å; K189-H315 PolarHBondContact NZ-NE2 3.01Å
190N92.9Very high95.2Very high86 Ų8633.6 Ų33.646%0.4616%0.164SC..THydrogen-bonded Turntrans-109.422-172.5-59.2-27.1000112.6N186 P188 P192 L193N186-N190 HydrophobicContact CB-CB 4.1Å; N186-N190 PolarHBondContact O-N 3.07Å; N186-N190 PolarHBondContact OD1-ND2 3.32Å; P188-N190 PolarHBondContact O-N 2.79Å; N190-P192 CarbonylContact O-C 3.56Å; N190-P192 VanDerWaalsContact O-C 3.26Å; N190-L193 HydrophobicContact CB-CD1 4.24Å; N190-L193 VanDerWaalsContact O-CA 3.32Å; N190-L193 WeakPolarHBondContact O-CA 3.41Å; N190-L193 PolarHBondContact O-N 2.77Å
191F92.7Very high95.2Very high45 Ų4534.8 Ų34.820%0.19717%0.171CC..  trans-95.7138.3179.2-89.9-104.7000111.9I183 N186 Y187 P188 L193 F251 W268I183-F191 HydrophobicContact CB-CZ 4.29Å; I183-F191 HydrophobicContact CG1-CZ 4.27Å; I183-F191 HydrophobicContact CG2-CE2 4.44Å; I183-F191 HydrophobicContact CG2-CZ 3.79Å; N186-F191 HydrophobicContact CB-CE2 4Å; Y187-F191 HydrophobicContact CD2-CB 4.35Å; Y187-F191 HydrophobicContact CD2-CD1 4.26Å; Y187-F191 AromaticContact CD2-CD2 3.75Å; Y187-F191 HydrophobicContact CD2-CD2 3.75Å; Y187-F191 HydrophobicContact CD2-CE2 4.12Å; Y187-F191 AromaticContact CD2-CG 3.83Å; Y187-F191 HydrophobicContact CD2-CG 3.83Å; Y187-F191 HydrophobicContact CG-CD2 4.25Å; Y187-F191 HydrophobicContact CG-CE2 4.36Å; P188-F191 PolarHBondContact O-N 2.85Å; F191-L193 HydrophobicContact CE2-CB 4.28Å; F191-L193 HydrophobicContact CZ-CB 4.27Å; F191-F251 HydrophobicContact CE1-CD1 4.45Å; F191-F251 HydrophobicContact CE1-CE1 4.13Å; F191-F251 HydrophobicContact CZ-CE1 4.45Å; F191-W268 HydrophobicContact CD1-CB 4.3Å; F191-W268 HydrophobicContact CE1-CB 4.29Å
192P93.3Very high95.2Very high62 Ų6234.3 Ų34.340%0.40317%0.169SC..SBendcis-65.9140.7-3.529.5-35.7000112.8N190 E265 L266N190-P192 CarbonylContact O-C 3.56Å; N190-P192 VanDerWaalsContact O-C 3.26Å; P192-E265 HydrophobicContact CB-CB 4.48Å; P192-E265 HydrophobicContact CB-CG 4.19Å; P192-E265 WeakPolarHBondContact CG-OE2 3.37Å; P192-L266 WeakPolarHBondContact CA-O 3.23Å
193L94.1Very high95.1Very high0 Ų034.3 Ų34.30%017%0.169CC..EExtended strand (participates in β ladder)trans-93.1112.5-171.3-179.763.7000110.1N186 N190 F191 D197 L198 E265 L266N186-L193 HydrophobicContact CB-CD1 3.88Å; N186-L193 HydrophobicContact CB-CD2 3.81Å; N186-L193 HydrophobicContact CB-CG 4.41Å; N190-L193 HydrophobicContact CB-CD1 4.24Å; N190-L193 VanDerWaalsContact O-CA 3.32Å; N190-L193 WeakPolarHBondContact O-CA 3.41Å; N190-L193 PolarHBondContact O-N 2.77Å; F191-L193 HydrophobicContact CE2-CB 4.28Å; F191-L193 HydrophobicContact CZ-CB 4.27Å; L193-D197 HydrophobicContact CD1-CB 3.6Å; L193-D197 HydrophobicContact CG-CB 4.5Å; L193-L198 HydrophobicContact CD2-CB 3.95Å; L193-L198 HydrophobicContact CD2-CD1 3.78Å; L193-L198 HydrophobicContact CG-CB 4.2Å; L193-E265 CarbonylContact O-C 3.59Å; L193-E265 WeakPolarHBondContact O-CA 3.48Å; L193-L266 HydrophobicContact CB-CB 4.42Å; L193-L266 PolarHBondContact N-O 3.21Å; L193-L266 PolarHBondContact O-N 3.25Å
194N93.6Very high95Very high40 Ų4034.7 Ų34.721%0.21417%0.171CC..EExtended strand (participates in β ladder)trans-61.9150.6178.171.670.3000112Y196 D197 L198N194-Y196 VanDerWaalsContact C-N 3.25Å; N194-Y196 PolarHBondContact O-N 3.39Å; N194-Y196 WeakPolarHBondContact OD1-CB 3.25Å; N194-Y196 PolarHBondContact OD1-N 2.88Å; N194-D197 PolarHBondContact ND2-OD2 3.28Å; N194-D197 PolarHBondContact O-N 3.47Å; N194-D197 VanDerWaalsContact O-N 3.12Å; N194-D197 PolarHBondContact OD1-N 3.24Å; N194-D197 PolarHBondContact OD1-OD2 2.66Å; N194-L198 PolarHBondContact O-N 2.93Å
195E93.3Very high95Very high0 Ų034.9 Ų34.90%017%0.173CC..Hα-helixtrans-58.4-34.6-175.1-176.5-179.6-140.300113F199 L232 R236 C262 N264E195-F199 HydrophobicContact CG-CD2 3.66Å; E195-F199 HydrophobicContact CG-CE2 3.19Å; E195-F199 HydrophobicContact CG-CZ 4.02Å; E195-F199 WeakPolarHBondContact O-CD2 3.47Å; E195-F199 WeakPolarHBondContact O-CG 3.41Å; E195-F199 PolarHBondContact O-N 3.26Å; E195-F199 VanDerWaalsContact O-N 3.12Å; E195-L232 HydrophobicContact CG-CD2 4.36Å; E195-R236 VanDerWaalsContact CD-NH2 3.34Å; E195-R236 IonicContact OE1-CZ 2.99Å; E195-R236 VanDerWaalsContact OE1-CZ 3.3Å; E195-R236 IonicContact OE1-NE 3.92Å; E195-R236 PolarHBondContact OE1-NE 3.05Å; E195-R236 IonicContact OE1-NH2 2.78Å; E195-R236 PolarHBondContact OE1-NH2 2.97Å; E195-R236 IonicContact OE2-CZ 2.84Å; E195-R236 IonicContact OE2-NE 3.3Å; E195-R236 IonicContact OE2-NH2 3.99Å; E195-R236 PolarHBondContact OE2-NH2 2.9Å; E195-C262 VanDerWaalsContact CB-SG 3.58Å; E195-C262 PolarHBondContact N-SG 3.31Å; E195-N264 HydrophobicContact CB-CB 4.23Å; E195-N264 WeakPolarHBondContact CB-O 3.34Å; E195-N264 PolarHBondContact N-O 3.3Å; E195-N264 PolarHBondContact OE2-ND2 3.03Å
196Y93.9Very high94.8Very high52 Ų5234.6 Ų34.620%0.20417%0.173CC..Hα-helixtrans-62.2-49.8175.2168.3-86.3000111.4N194 L198 F199 Y200 R223 V226 S227 C262N194-Y196 VanDerWaalsContact C-N 3.25Å; N194-Y196 PolarHBondContact O-N 3.39Å; N194-Y196 WeakPolarHBondContact OD1-CB 3.25Å; N194-Y196 PolarHBondContact OD1-N 2.88Å; Y196-L198 VanDerWaalsContact C-N 3.34Å; Y196-L198 PolarHBondContact O-N 2.77Å; Y196-F199 PolarHBondContact O-N 2.87Å; Y196-Y200 HydrophobicContact CE1-CD2 4.31Å; Y196-Y200 AromaticContact CZ-CD2 3.95Å; Y196-Y200 VanDerWaalsContact O-CB 3.22Å; Y196-Y200 WeakPolarHBondContact O-CB 3.43Å; Y196-Y200 PolarHBondContact O-N 3.41Å; Y196-Y200 WeakPolarHBondContact OH-CD2 3.17Å; Y196-R223 WeakPolarHBondContact OH-CG 3.4Å; Y196-V226 HydrophobicContact CD2-CB 4.45Å; Y196-V226 HydrophobicContact CD2-CG2 3.8Å; Y196-V226 HydrophobicContact CE2-CB 4.45Å; Y196-V226 HydrophobicContact CE2-CG2 3.43Å; Y196-V226 VanDerWaalsContact CE2-CG2 3.43Å; Y196-S227 WeakPolarHBondContact CE2-OG 3.13Å; Y196-C262 PolarHBondContact N-SG 2.82Å
197D94.4Very high94.6Very high55 Ų5535.5 Ų35.529%0.29418%0.176SC..Hα-helixtrans-69-33.8-178.4-73.3-29000112.1L193 N194 Y200 T201L193-D197 HydrophobicContact CD1-CB 3.6Å; L193-D197 HydrophobicContact CG-CB 4.5Å; N194-D197 PolarHBondContact ND2-OD2 3.28Å; N194-D197 PolarHBondContact O-N 3.47Å; N194-D197 VanDerWaalsContact O-N 3.12Å; N194-D197 PolarHBondContact OD1-N 3.24Å; N194-D197 PolarHBondContact OD1-OD2 2.66Å; D197-Y200 PolarHBondContact O-N 2.8Å; D197-T201 WeakPolarHBondContact O-CB 3.39Å; D197-T201 PolarHBondContact O-N 3.28Å; D197-T201 PolarHBondContact O-OG1 3.02Å
198L96.5Very high94.5Very high0 Ų038 Ų380%019%0.191CC..Hα-helixtrans-56.9-54.6171.8178.269.4000111V179 S182 L193 N194 Y196 T201 I202 L266V179-L198 HydrophobicContact CG2-CD1 4.12Å; S182-L198 WeakPolarHBondContact OG-CD1 3.49Å; S182-L198 PolarHBondContact OG-O 3.16Å; S182-L198 VanDerWaalsContact OG-O 3.04Å; L193-L198 HydrophobicContact CD2-CB 3.95Å; L193-L198 HydrophobicContact CD2-CD1 3.78Å; L193-L198 HydrophobicContact CG-CB 4.2Å; N194-L198 PolarHBondContact O-N 2.93Å; Y196-L198 VanDerWaalsContact C-N 3.34Å; Y196-L198 PolarHBondContact O-N 2.77Å; L198-T201 PolarHBondContact O-N 3.17Å; L198-I202 HydrophobicContact CD1-CD1 4.35Å; L198-I202 HydrophobicContact CG-CD1 4.19Å; L198-I202 WeakPolarHBondContact O-CG1 3.15Å; L198-I202 PolarHBondContact O-N 3.41Å; L198-I202 VanDerWaalsContact O-N 3.1Å; L198-L266 HydrophobicContact CD1-CD2 4.12Å; L198-L266 HydrophobicContact CD2-CD2 4.44Å
199F96.5Very high94.3Very high0 Ų036.1 Ų36.10%018%0.181CC..Hα-helixtrans-75.9-26.2-177.7-62.1-40.9000113.2E195 Y196 I202 S203 V226 L232 F235 Y239E195-F199 HydrophobicContact CG-CD2 3.66Å; E195-F199 HydrophobicContact CG-CE2 3.19Å; E195-F199 HydrophobicContact CG-CZ 4.02Å; E195-F199 WeakPolarHBondContact O-CD2 3.47Å; E195-F199 WeakPolarHBondContact O-CG 3.41Å; E195-F199 PolarHBondContact O-N 3.26Å; E195-F199 VanDerWaalsContact O-N 3.12Å; Y196-F199 PolarHBondContact O-N 2.87Å; F199-I202 HydrophobicContact CD1-CD1 4.02Å; F199-S203 WeakPolarHBondContact O-CB 3.28Å; F199-S203 PolarHBondContact O-N 2.91Å; F199-S203 PolarHBondContact O-OG 3.25Å; F199-V226 HydrophobicContact CB-CB 4.49Å; F199-V226 HydrophobicContact CB-CG1 4.06Å; F199-L232 HydrophobicContact CD2-CD2 3.84Å; F199-F235 HydrophobicContact CB-CB 4.5Å; F199-F235 HydrophobicContact CB-CD1 4.02Å; F199-F235 HydrophobicContact CB-CE1 4.35Å; F199-F235 HydrophobicContact CB-CG 4.12Å; F199-F235 HydrophobicContact CD1-CB 3.81Å; F199-F235 AromaticContact CD1-CD1 3.76Å; F199-F235 HydrophobicContact CD1-CD1 3.76Å; F199-F235 HydrophobicContact CD1-CG 4.04Å; F199-F235 HydrophobicContact CD2-CB 3.43Å; F199-F235 VanDerWaalsContact CD2-CB 3.43Å; F199-F235 HydrophobicContact CD2-CD1 4.46Å; F199-F235 AromaticContact CD2-CG 3.95Å; F199-F235 HydrophobicContact CD2-CG 3.95Å; F199-F235 HydrophobicContact CE1-CB 3.8Å; F199-F235 HydrophobicContact CE1-CD1 4.37Å; F199-F235 HydrophobicContact CE1-CG 4.49Å; F199-F235 HydrophobicContact CE2-CB 3.37Å; F199-F235 HydrophobicContact CE2-CG 4.36Å; F199-F235 HydrophobicContact CG-CB 3.67Å; F199-F235 AromaticContact CG-CD1 3.84Å; F199-F235 HydrophobicContact CG-CD1 3.84Å; F199-F235 AromaticContact CG-CG 3.79Å; F199-F235 HydrophobicContact CG-CG 3.79Å; F199-F235 HydrophobicContact CZ-CB 3.59Å; F199-Y239 HydrophobicContact CD1-CD2 4.23Å; F199-Y239 HydrophobicContact CD1-CE2 4.46Å; F199-Y239 AromaticContact CE1-CD2 3.74Å; F199-Y239 HydrophobicContact CE1-CD2 3.74Å; F199-Y239 HydrophobicContact CE1-CE2 4.4Å; F199-Y239 HydrophobicContact CE1-CG 4.11Å
200Y96.2Very high94.1Very high88 Ų8829.4 Ų29.435%0.34515%0.152SC..Hα-helixtrans-62.8-48.9170.4-174.8-82.7000110.6Y196 D197 S203 S204 V222 R223 V226Y196-Y200 HydrophobicContact CE1-CD2 4.31Å; Y196-Y200 AromaticContact CZ-CD2 3.95Å; Y196-Y200 VanDerWaalsContact O-CB 3.22Å; Y196-Y200 WeakPolarHBondContact O-CB 3.43Å; Y196-Y200 PolarHBondContact O-N 3.41Å; Y196-Y200 WeakPolarHBondContact OH-CD2 3.17Å; D197-Y200 PolarHBondContact O-N 2.8Å; Y200-S203 PolarHBondContact O-N 3.16Å; Y200-S204 WeakPolarHBondContact CE1-OG 3.31Å; Y200-S204 WeakPolarHBondContact O-CB 3.48Å; Y200-S204 PolarHBondContact O-N 3.28Å; Y200-S204 PolarHBondContact O-OG 2.88Å; Y200-V222 HydrophobicContact CD1-CG1 4.35Å; Y200-V222 HydrophobicContact CD2-CB 4.33Å; Y200-V222 HydrophobicContact CD2-CG1 3.6Å; Y200-V222 HydrophobicContact CE1-CG1 4.33Å; Y200-V222 HydrophobicContact CE2-CB 3.88Å; Y200-V222 HydrophobicContact CE2-CG1 3.61Å; Y200-V222 HydrophobicContact CG-CG1 3.99Å; Y200-R223 HydrophobicContact CE2-CB 4.31Å; Y200-V226 HydrophobicContact CD2-CG2 4Å
201T97.3Very high93.6Very high24 Ų2428.9 Ų28.915%0.14714%0.144CC..Hα-helixtrans-62.9-46.3179.5-57.60000110.9S182 Q185 N186 D197 L198 S203 S204 I205S182-T201 VanDerWaalsContact OG-CB 3.25Å; S182-T201 WeakPolarHBondContact OG-CB 3.26Å; S182-T201 WeakPolarHBondContact OG-CG2 3.47Å; Q185-T201 HydrophobicContact CB-CG2 4.05Å; Q185-T201 HydrophobicContact CG-CG2 4.4Å; N186-T201 PolarHBondContact ND2-OG1 3.28Å; N186-T201 VanDerWaalsContact ND2-OG1 3.1Å; D197-T201 WeakPolarHBondContact O-CB 3.39Å; D197-T201 PolarHBondContact O-N 3.28Å; D197-T201 PolarHBondContact O-OG1 3.02Å; L198-T201 PolarHBondContact O-N 3.17Å; T201-S203 PolarHBondContact O-N 3.43Å; T201-S204 WeakPolarHBondContact O-CB 3.41Å; T201-S204 PolarHBondContact O-N 2.86Å; T201-I205 PolarHBondContact O-N 3.14Å
202I98.1Very high92.9Very high0 Ų029.3 Ų29.30%014%0.144CC..Hα-helixtrans-56-51.3173.6-74.1169.9000110.9Q145 V179 L198 F199 S204 I205 Y239Q145-I202 HydrophobicContact CB-CG2 4.2Å; V179-I202 HydrophobicContact CB-CD1 4.29Å; L198-I202 HydrophobicContact CD1-CD1 4.35Å; L198-I202 HydrophobicContact CG-CD1 4.19Å; L198-I202 WeakPolarHBondContact O-CG1 3.15Å; L198-I202 PolarHBondContact O-N 3.41Å; L198-I202 VanDerWaalsContact O-N 3.1Å; F199-I202 HydrophobicContact CD1-CD1 4.02Å; I202-S204 PolarHBondContact O-N 3.44Å; I202-I205 WeakPolarHBondContact O-CB 3.31Å; I202-I205 WeakPolarHBondContact O-CG1 3.5Å; I202-I205 PolarHBondContact O-N 3.39Å; I202-Y239 HydrophobicContact CD1-CD1 4.45Å; I202-Y239 HydrophobicContact CD1-CE1 3.9Å; I202-Y239 HydrophobicContact CD1-CE2 4.31Å; I202-Y239 HydrophobicContact CG2-CE2 4.25Å; I202-Y239 WeakPolarHBondContact CG2-OH 3.4Å
203S96.1Very high92.1Very high0 Ų027.7 Ų27.70%013%0.132CC..Hα-helixtrans-62.5-33.5-177.8-70.30000111.8F199 Y200 T201 I205 Y207 F235F199-S203 WeakPolarHBondContact O-CB 3.28Å; F199-S203 PolarHBondContact O-N 2.91Å; F199-S203 PolarHBondContact O-OG 3.25Å; Y200-S203 PolarHBondContact O-N 3.16Å; T201-S203 PolarHBondContact O-N 3.43Å; S203-I205 VanDerWaalsContact C-N 3.28Å; S203-I205 PolarHBondContact O-N 3.29Å; S203-Y207 WeakPolarHBondContact O-CD2 3.47Å; S203-F235 WeakPolarHBondContact OG-CZ 3.41Å
204S96.4Very high91Very high8 Ų832.4 Ų32.46%0.05616%0.156CC..Hα-helixtrans-68-22.1-179.7-60.60000113.6Y200 T201 I202 S206 Y207 N208Y200-S204 WeakPolarHBondContact CE1-OG 3.31Å; Y200-S204 WeakPolarHBondContact O-CB 3.48Å; Y200-S204 PolarHBondContact O-N 3.28Å; Y200-S204 PolarHBondContact O-OG 2.88Å; T201-S204 WeakPolarHBondContact O-CB 3.41Å; T201-S204 PolarHBondContact O-N 2.86Å; I202-S204 PolarHBondContact O-N 3.44Å; S204-S206 PolarHBondContact O-N 3.42Å; S204-Y207 PolarHBondContact O-N 3.16Å; S204-N208 WeakPolarHBondContact O-CB 3.24Å; S204-N208 PolarHBondContact O-N 3.34Å
205I97.3Very high90Very high5 Ų534.8 Ų34.83%0.02617%0.168CC..THydrogen-bonded Turntrans-49.8-48178.1-66.8170.6000110.8W135 L138 Y181 T201 I202 S203 Y207 L326 V330W135-I205 HydrophobicContact CH2-CD1 4.49Å; L138-I205 HydrophobicContact CD1-CG2 3.82Å; L138-I205 HydrophobicContact CD2-CG2 3.78Å; L138-I205 HydrophobicContact CG-CG2 4.39Å; Y181-I205 HydrophobicContact CD1-CD1 3.61Å; Y181-I205 HydrophobicContact CD1-CG1 3.7Å; Y181-I205 HydrophobicContact CE1-CD1 4.17Å; Y181-I205 HydrophobicContact CE1-CG1 3.71Å; Y181-I205 HydrophobicContact CG-CD1 4.24Å; T201-I205 PolarHBondContact O-N 3.14Å; I202-I205 WeakPolarHBondContact O-CB 3.31Å; I202-I205 WeakPolarHBondContact O-CG1 3.5Å; I202-I205 PolarHBondContact O-N 3.39Å; S203-I205 VanDerWaalsContact C-N 3.28Å; S203-I205 PolarHBondContact O-N 3.29Å; I205-Y207 VanDerWaalsContact C-N 3.34Å; I205-Y207 PolarHBondContact O-N 2.96Å; I205-L326 HydrophobicContact CG2-CD1 3.95Å; I205-V330 WeakPolarHBondContact O-CG2 3.23Å
206S93.9Very high89Confident15 Ų1535 Ų3511%0.10517%0.169CC..THydrogen-bonded Turntrans-86.1-2-176.177.30000114.7K146 S204K146-S206 PolarHBondContact NZ-OG 3.07Å; S204-S206 PolarHBondContact O-N 3.42Å
207Y92.8Very high88.3Confident32 Ų3233.2 Ų33.213%0.12516%0.163CC..THydrogen-bonded Turntrans-111.4-29.7-178.9-73.2-67.4000112.1S203 S204 I205 G209 D210 M213 K221 V222 L225S203-Y207 WeakPolarHBondContact O-CD2 3.47Å; S204-Y207 PolarHBondContact O-N 3.16Å; I205-Y207 VanDerWaalsContact C-N 3.34Å; I205-Y207 PolarHBondContact O-N 2.96Å; Y207-G209 PolarHBondContact O-N 2.69Å; Y207-G209 VanDerWaalsContact O-N 3.14Å; Y207-D210 WeakPolarHBondContact O-CB 3.15Å; Y207-D210 PolarHBondContact O-N 2.87Å; Y207-M213 HydrophobicContact CD1-CE 4.26Å; Y207-M213 HydrophobicContact CD1-CG 3.74Å; Y207-M213 HydrophobicContact CD1-SD 3.37Å; Y207-M213 WeakPolarHBondContact CD1-SD 3.46Å; Y207-M213 HydrophobicContact CE1-SD 3.91Å; Y207-M213 HydrophobicContact CG-CG 4.35Å; Y207-M213 HydrophobicContact CG-SD 4.16Å; Y207-K221 HydrophobicContact CE1-CG 4.09Å; Y207-V222 HydrophobicContact CD2-CG2 3.52Å; Y207-V222 HydrophobicContact CE2-CG2 4.11Å; Y207-V222 HydrophobicContact CG-CG2 3.99Å; Y207-L225 HydrophobicContact CE2-CD1 3.86Å; Y207-L225 WeakPolarHBondContact OH-CD1 3.47Å
208N91.3Very high87.5Confident88 Ų8830.6 Ų30.647%0.47115%0.149SC..THydrogen-bonded Turntrans-69.4109.7175.7-73-9.1000109.6S204 V330S204-N208 WeakPolarHBondContact O-CB 3.24Å; S204-N208 PolarHBondContact O-N 3.34Å; N208-V330 WeakPolarHBondContact O-CB 3.36Å
209G88.5Confident86.7Confident11 Ų1135.6 Ų35.611%0.11317%0.168CC..THydrogen-bonded Turntrans100-12.9-173.600000114.1Y207 W211 Y327 K331Y207-G209 PolarHBondContact O-N 2.69Å; Y207-G209 VanDerWaalsContact O-N 3.14Å; G209-W211 PolarHBondContact O-N 2.96Å; G209-W211 VanDerWaalsContact O-N 3.09Å; G209-Y327 VanDerWaalsContact CA-CE2 3.4Å; G209-K331 WeakPolarHBondContact O-CA 3.38Å; G209-K331 WeakPolarHBondContact O-CB 3.33Å; G209-K331 PolarHBondContact O-N 3.43Å
210D86.8Confident86.1Confident7 Ų738.9 Ų38.94%0.03718%0.183CC..  trans-68.2111.8175.6-172.9-16000109.3Y207 R212 M213 V330 S334Y207-D210 WeakPolarHBondContact O-CB 3.15Å; Y207-D210 PolarHBondContact O-N 2.87Å; D210-R212 PolarHBondContact O-N 3.38Å; D210-R212 VanDerWaalsContact OD1-CB 3.25Å; D210-R212 WeakPolarHBondContact OD1-CB 3.3Å; D210-R212 WeakPolarHBondContact OD1-CG 3.43Å; D210-R212 IonicContact OD1-CZ 3.28Å; D210-R212 PolarHBondContact OD1-N 3.25Å; D210-R212 IonicContact OD1-NE 2.9Å; D210-R212 PolarHBondContact OD1-NE 3.26Å; D210-R212 IonicContact OD1-NH2 2.67Å; D210-R212 IonicContact OD2-CZ 2.63Å; D210-R212 VanDerWaalsContact OD2-CZ 3.28Å; D210-R212 IonicContact OD2-NE 3.1Å; D210-R212 PolarHBondContact OD2-NE 3.48Å; D210-R212 VanDerWaalsContact OD2-NE 3.1Å; D210-R212 IonicContact OD2-NH2 3.74Å; D210-R212 PolarHBondContact OD2-NH2 2.93Å; D210-M213 HydrophobicContact CB-CG 4.07Å; D210-M213 VanDerWaalsContact O-CB 3.28Å; D210-M213 WeakPolarHBondContact O-CB 3.25Å; D210-M213 PolarHBondContact O-N 3.25Å; D210-V330 HydrophobicContact CB-CG1 3.98Å; D210-S334 VanDerWaalsContact OD1-CB 3.25Å; D210-S334 WeakPolarHBondContact OD1-CB 3.26Å
211W82.7Confident85.6Confident74 Ų7435.7 Ų35.728%0.2817%0.171SC..G310 helixtrans-60.9-23.7-176.379.6-87.9000112G209 M213 I214 I215 S334 L335 T338G209-W211 PolarHBondContact O-N 2.96Å; G209-W211 VanDerWaalsContact O-N 3.09Å; W211-M213 PolarHBondContact O-N 2.86Å; W211-I214 WeakPolarHBondContact O-CA 3.49Å; W211-I214 VanDerWaalsContact O-CB 3.27Å; W211-I214 WeakPolarHBondContact O-CB 3.29Å; W211-I214 PolarHBondContact O-N 3.13Å; W211-I215 HydrophobicContact CZ3-CB 4.29Å; W211-I215 PolarHBondContact O-N 2.82Å; W211-S334 PolarHBondContact N-OG 3.24Å; W211-S334 PolarHBondContact NE1-O 3.16Å; W211-L335 HydrophobicContact CB-CD2 4.37Å; W211-L335 HydrophobicContact CD2-CD2 4.3Å; W211-L335 HydrophobicContact CG-CD2 3.83Å; W211-L335 HydrophobicContact CG-CG 4.27Å; W211-T338 HydrophobicContact CH2-CG2 4.17Å; W211-T338 HydrophobicContact CZ2-CG2 3.31Å; W211-T338 WeakPolarHBondContact CZ2-OG1 3.42Å; W211-T338 PolarHBondContact NE1-OG1 3.17Å
212R79.1Confident85.2Confident54 Ų5435 Ų3520%0.20417%0.167CC..G310 helixtrans-67.5-24175.6-58.2171.8-67.2-177.33.9112.2D210 I214 I215 E217D210-R212 PolarHBondContact O-N 3.38Å; D210-R212 VanDerWaalsContact OD1-CB 3.25Å; D210-R212 WeakPolarHBondContact OD1-CB 3.3Å; D210-R212 WeakPolarHBondContact OD1-CG 3.43Å; D210-R212 IonicContact OD1-CZ 3.28Å; D210-R212 PolarHBondContact OD1-N 3.25Å; D210-R212 IonicContact OD1-NE 2.9Å; D210-R212 PolarHBondContact OD1-NE 3.26Å; D210-R212 IonicContact OD1-NH2 2.67Å; D210-R212 IonicContact OD2-CZ 2.63Å; D210-R212 VanDerWaalsContact OD2-CZ 3.28Å; D210-R212 IonicContact OD2-NE 3.1Å; D210-R212 PolarHBondContact OD2-NE 3.48Å; D210-R212 VanDerWaalsContact OD2-NE 3.1Å; D210-R212 IonicContact OD2-NH2 3.74Å; D210-R212 PolarHBondContact OD2-NH2 2.93Å; R212-I214 PolarHBondContact O-N 3.3Å; R212-I215 CarbonylContact C-O 3.37Å; R212-I215 WeakPolarHBondContact CA-O 3.4Å; R212-I215 CarbonylContact O-C 3.59Å; R212-I215 PolarHBondContact O-N 3.49Å; R212-E217 VanDerWaalsContact O-CB 3.25Å; R212-E217 WeakPolarHBondContact O-CB 3.47Å; R212-E217 PolarHBondContact O-N 3.27Å; R212-E217 VanDerWaalsContact O-N 3.07Å
213M76.2Confident84.8Confident29 Ų2940.6 Ų40.614%0.14319%0.188CC..G310 helixtrans-69.5-20.4170.6-66.8-62.8-66.700112.1Y207 D210 W211 E217 R219 K221Y207-M213 HydrophobicContact CD1-CE 4.26Å; Y207-M213 HydrophobicContact CD1-CG 3.74Å; Y207-M213 HydrophobicContact CD1-SD 3.37Å; Y207-M213 WeakPolarHBondContact CD1-SD 3.46Å; Y207-M213 HydrophobicContact CE1-SD 3.91Å; Y207-M213 HydrophobicContact CG-CG 4.35Å; Y207-M213 HydrophobicContact CG-SD 4.16Å; D210-M213 HydrophobicContact CB-CG 4.07Å; D210-M213 VanDerWaalsContact O-CB 3.28Å; D210-M213 WeakPolarHBondContact O-CB 3.25Å; D210-M213 PolarHBondContact O-N 3.25Å; W211-M213 PolarHBondContact O-N 2.86Å; M213-E217 HydrophobicContact SD-CB 3.87Å; M213-E217 HydrophobicContact SD-CG 3.76Å; M213-R219 VanDerWaalsContact O-CZ 3.27Å; M213-R219 PolarHBondContact O-NH1 2.91Å; M213-K221 HydrophobicContact CE-CB 4.27Å
214I70Confident84.4Confident99 Ų9941.9 Ų41.951%0.50819%0.193SC..THydrogen-bonded Turntrans-82.4-37.4172.2-51.6175.9000110.5W211 R212 R219W211-I214 WeakPolarHBondContact O-CA 3.49Å; W211-I214 VanDerWaalsContact O-CB 3.27Å; W211-I214 WeakPolarHBondContact O-CB 3.29Å; W211-I214 PolarHBondContact O-N 3.13Å; R212-I214 PolarHBondContact O-N 3.3Å; I214-R219 VanDerWaalsContact O-CZ 3.23Å; I214-R219 PolarHBondContact O-NH1 3.02Å; I214-R219 PolarHBondContact O-NH2 3.02Å
215I72.9Confident84Confident90 Ų9042.6 Ų42.646%0.46220%0.196SC..THydrogen-bonded Turntrans-139.9120.2-178.9-57.4178.1000110W211 R212 L358W211-I215 HydrophobicContact CZ3-CB 4.29Å; W211-I215 PolarHBondContact O-N 2.82Å; R212-I215 CarbonylContact C-O 3.37Å; R212-I215 WeakPolarHBondContact CA-O 3.4Å; R212-I215 CarbonylContact O-C 3.59Å; R212-I215 PolarHBondContact O-N 3.49Å; I215-L358 HydrophobicContact CG2-CD2 3.88Å
216G72.1Confident83.6Confident3 Ų342.3 Ų42.33%0.03119%0.194CC..THydrogen-bonded Turntrans91.77.9168.200000116.2K357 M361G216-K357 CarbonylContact C-O 3.4Å; G216-K357 VanDerWaalsContact C-O 3.28Å; G216-K357 WeakPolarHBondContact CA-O 3.42Å; G216-K357 CarbonylContact O-C 3.58Å; G216-K357 VanDerWaalsContact O-CA 3.26Å; G216-K357 WeakPolarHBondContact O-CA 3.31Å; G216-K357 WeakPolarHBondContact O-CB 3.36Å; G216-K357 WeakPolarHBondContact O-CD 3.17Å; G216-M361 PolarHBondContact N-SD 3.5Å; G216-M361 VanDerWaalsContact N-SD 3.42Å
217E78.9Confident83.4Confident16 Ų1642.8 Ų42.88%0.07520%0.198CC..SBendtrans-119.6160169.1-156.968.3-101.100111.8R212 M213 R219 K357 M361R212-E217 VanDerWaalsContact O-CB 3.25Å; R212-E217 WeakPolarHBondContact O-CB 3.47Å; R212-E217 PolarHBondContact O-N 3.27Å; R212-E217 VanDerWaalsContact O-N 3.07Å; M213-E217 HydrophobicContact SD-CB 3.87Å; M213-E217 HydrophobicContact SD-CG 3.76Å; E217-R219 PolarHBondContact O-N 3.44Å; E217-K357 IonicContact OE1-NZ 2.59Å; E217-K357 PolarHBondContact OE1-NZ 3.39Å; E217-K357 IonicContact OE2-NZ 2.77Å; E217-K357 PolarHBondContact OE2-NZ 2.9Å; E217-M361 WeakPolarHBondContact O-CA 3.27Å
218D78.2Confident83.1Confident0 Ų042.1 Ų42.10%020%0.2CC..  trans-60120.2171.7174.13.1000111.1Q220 K221 R224 S364 W370D218-Q220 PolarHBondContact O-N 3.24Å; D218-Q220 WeakPolarHBondContact OD1-CA 3.12Å; D218-Q220 PolarHBondContact OD1-N 3.33Å; D218-K221 HydrophobicContact CB-CB 4.07Å; D218-K221 HydrophobicContact CB-CD 4.22Å; D218-K221 WeakPolarHBondContact O-CB 3.41Å; D218-K221 PolarHBondContact O-N 3.27Å; D218-K221 PolarHBondContact OD1-N 3.35Å; D218-R224 IonicContact OD1-NE 3.55Å; D218-R224 VanDerWaalsContact OD2-CD 3.28Å; D218-R224 WeakPolarHBondContact OD2-CD 3.42Å; D218-R224 IonicContact OD2-NE 3.71Å; D218-R224 PolarHBondContact OD2-NE 2.9Å; D218-S364 WeakPolarHBondContact OD1-CB 3.23Å; D218-W370 HydrophobicContact CB-CH2 4.08Å
219R80.5Confident82.8Confident105 Ų10543.2 Ų43.240%0.39620%0.201SC..THydrogen-bonded Turntrans-66.4-22.4-179.8-59.9-57.2-173.8148.18.7113.4M213 I214 E217 S364 L365M213-R219 VanDerWaalsContact O-CZ 3.27Å; M213-R219 PolarHBondContact O-NH1 2.91Å; I214-R219 VanDerWaalsContact O-CZ 3.23Å; I214-R219 PolarHBondContact O-NH1 3.02Å; I214-R219 PolarHBondContact O-NH2 3.02Å; E217-R219 PolarHBondContact O-N 3.44Å; R219-S364 PolarHBondContact N-OG 2.79Å; R219-S364 VanDerWaalsContact N-OG 3.09Å; R219-L365 HydrophobicContact CG-CD2 3.98Å; R219-L365 HydrophobicContact CG-CG 4.43Å
220Q82.2Confident82.8Confident69 Ų6946.4 Ų46.432%0.32222%0.221SC..THydrogen-bonded Turntrans-100.615.3177.9-60.8-63.1-38.700111.4D218 V222 R223 R224D218-Q220 PolarHBondContact O-N 3.24Å; D218-Q220 WeakPolarHBondContact OD1-CA 3.12Å; D218-Q220 PolarHBondContact OD1-N 3.33Å; Q220-V222 PolarHBondContact O-N 2.66Å; Q220-R223 WeakPolarHBondContact O-CB 3.3Å; Q220-R223 PolarHBondContact O-N 2.73Å; Q220-R223 VanDerWaalsContact O-N 3.16Å; Q220-R224 HydrophobicContact CB-CG 4.4Å; Q220-R224 WeakPolarHBondContact O-CG 3.33Å; Q220-R224 PolarHBondContact O-N 3.41Å
221K85.9Confident82.9Confident20 Ų2047.5 Ų47.59%0.08723%0.225CC..Hα-helixtrans-53.6-49.6-172.1-17364.9172.8-177.60112.8Y207 M213 D218 R224 L225Y207-K221 HydrophobicContact CE1-CG 4.09Å; M213-K221 HydrophobicContact CE-CB 4.27Å; D218-K221 HydrophobicContact CB-CB 4.07Å; D218-K221 HydrophobicContact CB-CD 4.22Å; D218-K221 WeakPolarHBondContact O-CB 3.41Å; D218-K221 PolarHBondContact O-N 3.27Å; D218-K221 PolarHBondContact OD1-N 3.35Å; K221-R224 PolarHBondContact O-N 2.85Å; K221-L225 HydrophobicContact CG-CD1 4.06Å; K221-L225 WeakPolarHBondContact O-CB 3.17Å; K221-L225 VanDerWaalsContact O-CG 3.28Å; K221-L225 WeakPolarHBondContact O-CG 3.42Å; K221-L225 PolarHBondContact O-N 3.11Å
222V89.3Confident83.3Confident10 Ų1044.1 Ų44.16%0.06121%0.212CC..Hα-helixtrans-62.4-48.3-178.9-173.40000110.2Y200 Y207 Q220 R224 L225 V226Y200-V222 HydrophobicContact CD1-CG1 4.35Å; Y200-V222 HydrophobicContact CD2-CB 4.33Å; Y200-V222 HydrophobicContact CD2-CG1 3.6Å; Y200-V222 HydrophobicContact CE1-CG1 4.33Å; Y200-V222 HydrophobicContact CE2-CB 3.88Å; Y200-V222 HydrophobicContact CE2-CG1 3.61Å; Y200-V222 HydrophobicContact CG-CG1 3.99Å; Y207-V222 HydrophobicContact CD2-CG2 3.52Å; Y207-V222 HydrophobicContact CE2-CG2 4.11Å; Y207-V222 HydrophobicContact CG-CG2 3.99Å; Q220-V222 PolarHBondContact O-N 2.66Å; V222-R224 PolarHBondContact O-N 3.05Å; V222-L225 WeakPolarHBondContact O-CB 3.25Å; V222-L225 PolarHBondContact O-N 2.96Å; V222-V226 WeakPolarHBondContact O-CG2 3.39Å; V222-V226 PolarHBondContact O-N 2.58Å
223R90.1Very high84Confident117 Ų11744.3 Ų44.344%0.44222%0.222SC..Hα-helixtrans-55.5-52.5176.7-174.8176.6109.2-179.66.7111Y196 Y200 Q220 L225 V226 S227Y196-R223 WeakPolarHBondContact OH-CG 3.4Å; Y200-R223 HydrophobicContact CE2-CB 4.31Å; Q220-R223 WeakPolarHBondContact O-CB 3.3Å; Q220-R223 PolarHBondContact O-N 2.73Å; Q220-R223 VanDerWaalsContact O-N 3.16Å; R223-L225 VanDerWaalsContact C-N 3.26Å; R223-L225 PolarHBondContact O-N 3.42Å; R223-V226 PolarHBondContact O-N 3.31Å; R223-V226 VanDerWaalsContact O-N 3.13Å; R223-S227 VanDerWaalsContact CG-OG 3.31Å; R223-S227 WeakPolarHBondContact CG-OG 3.49Å; R223-S227 VanDerWaalsContact O-CB 3.24Å; R223-S227 WeakPolarHBondContact O-CB 3.47Å; R223-S227 PolarHBondContact O-N 2.89Å; R223-S227 PolarHBondContact O-OG 3.44Å
224R87.9Confident84.7Confident27 Ų2746 Ų4610%0.10223%0.23CC..Hα-helixtrans-61.1-33.1-179.7-68.2-175-167.9-79.6-3.2113.2K38 D39 D218 Q220 K221 V222 V226 R231K38-R224 PolarHBondContact O-NH1 3.21Å; D39-R224 IonicContact OD2-NH1 3.39Å; D39-R224 PolarHBondContact OD2-NH1 2.88Å; D218-R224 IonicContact OD1-NE 3.55Å; D218-R224 VanDerWaalsContact OD2-CD 3.28Å; D218-R224 WeakPolarHBondContact OD2-CD 3.42Å; D218-R224 IonicContact OD2-NE 3.71Å; D218-R224 PolarHBondContact OD2-NE 2.9Å; Q220-R224 HydrophobicContact CB-CG 4.4Å; Q220-R224 WeakPolarHBondContact O-CG 3.33Å; Q220-R224 PolarHBondContact O-N 3.41Å; K221-R224 PolarHBondContact O-N 2.85Å; V222-R224 PolarHBondContact O-N 3.05Å; R224-V226 VanDerWaalsContact C-N 3.33Å; R224-R231 PolarHBondContact O-NH1 3.26Å
225L88Confident85.9Confident23 Ų2341.5 Ų41.512%0.1221%0.206CC..Hα-helixtrans-64.5-36177-79.9165.4000112.6K146 Y207 K221 V222 R223 R231K146-L225 HydrophobicContact CD-CD1 4.24Å; Y207-L225 HydrophobicContact CE2-CD1 3.86Å; Y207-L225 WeakPolarHBondContact OH-CD1 3.47Å; K221-L225 HydrophobicContact CG-CD1 4.06Å; K221-L225 WeakPolarHBondContact O-CB 3.17Å; K221-L225 VanDerWaalsContact O-CG 3.28Å; K221-L225 WeakPolarHBondContact O-CG 3.42Å; K221-L225 PolarHBondContact O-N 3.11Å; V222-L225 WeakPolarHBondContact O-CB 3.25Å; V222-L225 PolarHBondContact O-N 2.96Å; R223-L225 VanDerWaalsContact C-N 3.26Å; R223-L225 PolarHBondContact O-N 3.42Å; L225-R231 WeakPolarHBondContact O-CB 3.38Å; L225-R231 WeakPolarHBondContact O-CD 3.37Å
226V89.5Confident87Confident0 Ų040.1 Ų40.10%020%0.195CC..Hα-helixtrans-109.8-13.7-172.1-560000114.3Y196 F199 Y200 V222 R223 R224 G228 L232 F235Y196-V226 HydrophobicContact CD2-CB 4.45Å; Y196-V226 HydrophobicContact CD2-CG2 3.8Å; Y196-V226 HydrophobicContact CE2-CB 4.45Å; Y196-V226 HydrophobicContact CE2-CG2 3.43Å; Y196-V226 VanDerWaalsContact CE2-CG2 3.43Å; F199-V226 HydrophobicContact CB-CB 4.49Å; F199-V226 HydrophobicContact CB-CG1 4.06Å; Y200-V226 HydrophobicContact CD2-CG2 4Å; V222-V226 WeakPolarHBondContact O-CG2 3.39Å; V222-V226 PolarHBondContact O-N 2.58Å; R223-V226 PolarHBondContact O-N 3.31Å; R223-V226 VanDerWaalsContact O-N 3.13Å; R224-V226 VanDerWaalsContact C-N 3.33Å; V226-G228 PolarHBondContact O-N 2.9Å; V226-L232 VanDerWaalsContact O-CD2 3.28Å; V226-L232 WeakPolarHBondContact O-CD2 3.27Å; V226-F235 HydrophobicContact CG1-CE2 3.8Å; V226-F235 HydrophobicContact CG1-CZ 3.92Å
227S88Confident88Confident25 Ų2544.6 Ų44.618%0.17523%0.226CC..SBendtrans-75.675-174.3-69.20000116.4Y196 R223 R231Y196-S227 WeakPolarHBondContact CE2-OG 3.13Å; R223-S227 VanDerWaalsContact CG-OG 3.31Å; R223-S227 WeakPolarHBondContact CG-OG 3.49Å; R223-S227 VanDerWaalsContact O-CB 3.24Å; R223-S227 WeakPolarHBondContact O-CB 3.47Å; R223-S227 PolarHBondContact O-N 2.89Å; R223-S227 PolarHBondContact O-OG 3.44Å; S227-R231 VanDerWaalsContact C-CZ 3.46Å; S227-R231 PolarHBondContact O-NH1 3.49Å; S227-R231 PolarHBondContact O-NH2 2.85Å
228G86.4Confident88.8Confident17 Ų1745.9 Ų45.918%0.17523%0.233CC..SBendtrans149.4159.4163.100000114.2V226 S230 R231 L232V226-G228 PolarHBondContact O-N 2.9Å; G228-S230 PolarHBondContact O-N 3.42Å; G228-R231 PolarHBondContact O-N 3.05Å; G228-L232 PolarHBondContact O-N 3.42Å
229K87Confident89.8Confident112 Ų11245.9 Ų45.949%0.48723%0.233SC..Hα-helixtrans-51.9-46.9-163.5-63.9-173.6171.3-147.10114.9R231 L232 S233 E263K229-R231 VanDerWaalsContact C-N 3.32Å; K229-R231 PolarHBondContact O-N 3.36Å; K229-L232 PolarHBondContact O-N 3.4Å; K229-S233 WeakPolarHBondContact O-CB 3.28Å; K229-S233 PolarHBondContact O-N 2.99Å; K229-E263 VanDerWaalsContact CD-OE1 3.27Å; K229-E263 WeakPolarHBondContact CD-OE1 3.31Å; K229-E263 WeakPolarHBondContact CE-OE1 3.46Å; K229-E263 IonicContact NZ-OE1 2.73Å; K229-E263 PolarHBondContact NZ-OE1 3.15Å
230S87.1Confident90.5Very high77 Ų7744.6 Ų44.654%0.53823%0.234SC..Hα-helixtrans-60.5-42.1-179.468.80000112.4G228 S233 E234G228-S230 PolarHBondContact O-N 3.42Å; S230-S233 WeakPolarHBondContact O-CB 3.33Å; S230-S233 PolarHBondContact O-N 2.89Å; S230-E234 PolarHBondContact O-N 3.46Å; S230-E234 VanDerWaalsContact O-N 3.14Å
231R89Confident91.1Very high30 Ų3045.8 Ų45.811%0.11324%0.243CC..Hα-helixtrans-72.6-42.4-179.9-79.7155.6-73.7125.38.2111.3R224 L225 S227 G228 K229 S233 E234 F235R224-R231 PolarHBondContact O-NH1 3.26Å; L225-R231 WeakPolarHBondContact O-CB 3.38Å; L225-R231 WeakPolarHBondContact O-CD 3.37Å; S227-R231 VanDerWaalsContact C-CZ 3.46Å; S227-R231 PolarHBondContact O-NH1 3.49Å; S227-R231 PolarHBondContact O-NH2 2.85Å; G228-R231 PolarHBondContact O-N 3.05Å; K229-R231 VanDerWaalsContact C-N 3.32Å; K229-R231 PolarHBondContact O-N 3.36Å; R231-S233 PolarHBondContact O-N 3.48Å; R231-E234 WeakPolarHBondContact O-CB 3.42Å; R231-E234 PolarHBondContact O-N 2.97Å; R231-E234 VanDerWaalsContact O-N 3.16Å; R231-F235 WeakPolarHBondContact O-CD2 3.46Å; R231-F235 PolarHBondContact O-N 3.46Å
232L92.2Very high91.6Very high3 Ų345.2 Ų45.22%0.01624%0.242CC..Hα-helixtrans-58.2-39.6173.3-64.3178.7000111.3E195 F199 V226 G228 K229 F235 R236E195-L232 HydrophobicContact CG-CD2 4.36Å; F199-L232 HydrophobicContact CD2-CD2 3.84Å; V226-L232 VanDerWaalsContact O-CD2 3.28Å; V226-L232 WeakPolarHBondContact O-CD2 3.27Å; G228-L232 PolarHBondContact O-N 3.42Å; K229-L232 PolarHBondContact O-N 3.4Å; L232-F235 PolarHBondContact O-N 3.4Å; L232-R236 WeakPolarHBondContact O-CB 3.47Å; L232-R236 PolarHBondContact O-N 3.41Å
233S92Very high91.9Very high59 Ų5945.4 Ų45.441%0.41324%0.242SC..Hα-helixtrans-61.8-42.6174.9-170.60000113K229 S230 R231 F235 R236 S237K229-S233 WeakPolarHBondContact O-CB 3.28Å; K229-S233 PolarHBondContact O-N 2.99Å; S230-S233 WeakPolarHBondContact O-CB 3.33Å; S230-S233 PolarHBondContact O-N 2.89Å; R231-S233 PolarHBondContact O-N 3.48Å; S233-F235 PolarHBondContact O-N 3.4Å; S233-R236 WeakPolarHBondContact O-CB 3.46Å; S233-R236 PolarHBondContact O-N 2.97Å; S233-S237 PolarHBondContact O-N 2.77Å
234E92.5Very high92.2Very high64 Ų6443.2 Ų43.230%0.29924%0.239SC..Hα-helixtrans-62.1-42175.1-69.8171.6-163.400112.2F35 P147 S230 R231 S237 L238F35-E234 WeakPolarHBondContact CD1-OE2 3.32Å; F35-E234 WeakPolarHBondContact CE1-OE2 3.28Å; P147-E234 HydrophobicContact CB-CB 4.08Å; P147-E234 HydrophobicContact CG-CB 3.72Å; S230-E234 PolarHBondContact O-N 3.46Å; S230-E234 VanDerWaalsContact O-N 3.14Å; R231-E234 WeakPolarHBondContact O-CB 3.42Å; R231-E234 PolarHBondContact O-N 2.97Å; R231-E234 VanDerWaalsContact O-N 3.16Å; E234-S237 PolarHBondContact O-N 2.86Å; E234-L238 WeakPolarHBondContact O-CB 3.44Å; E234-L238 PolarHBondContact O-N 3.02Å
235F95.3Very high92.5Very high4 Ų444.6 Ų44.62%0.01825%0.253CS..Hα-helixtrans-64.5-41.8173.8-85.4-86.9000111.6K146 P147 F199 S203 V226 R231 L232 S233 S237 L238 Y239K146-F235 HydrophobicContact CB-CE1 4.31Å; K146-F235 HydrophobicContact CB-CZ 4.18Å; K146-F235 HydrophobicContact CG-CE1 4.03Å; K146-F235 HydrophobicContact CG-CZ 3.93Å; P147-F235 HydrophobicContact CG-CD1 4.46Å; P147-F235 HydrophobicContact CG-CD2 3.99Å; P147-F235 HydrophobicContact CG-CE2 4.12Å; P147-F235 HydrophobicContact CG-CG 4.16Å; P147-F235 HydrophobicContact CG-CZ 4.43Å; F199-F235 HydrophobicContact CB-CB 4.5Å; F199-F235 HydrophobicContact CB-CD1 4.02Å; F199-F235 HydrophobicContact CB-CE1 4.35Å; F199-F235 HydrophobicContact CB-CG 4.12Å; F199-F235 HydrophobicContact CD1-CB 3.81Å; F199-F235 AromaticContact CD1-CD1 3.76Å; F199-F235 HydrophobicContact CD1-CD1 3.76Å; F199-F235 HydrophobicContact CD1-CG 4.04Å; F199-F235 HydrophobicContact CD2-CB 3.43Å; F199-F235 VanDerWaalsContact CD2-CB 3.43Å; F199-F235 HydrophobicContact CD2-CD1 4.46Å; F199-F235 AromaticContact CD2-CG 3.95Å; F199-F235 HydrophobicContact CD2-CG 3.95Å; F199-F235 HydrophobicContact CE1-CB 3.8Å; F199-F235 HydrophobicContact CE1-CD1 4.37Å; F199-F235 HydrophobicContact CE1-CG 4.49Å; F199-F235 HydrophobicContact CE2-CB 3.37Å; F199-F235 HydrophobicContact CE2-CG 4.36Å; F199-F235 HydrophobicContact CG-CB 3.67Å; F199-F235 AromaticContact CG-CD1 3.84Å; F199-F235 HydrophobicContact CG-CD1 3.84Å; F199-F235 AromaticContact CG-CG 3.79Å; F199-F235 HydrophobicContact CG-CG 3.79Å; F199-F235 HydrophobicContact CZ-CB 3.59Å; S203-F235 WeakPolarHBondContact OG-CZ 3.41Å; V226-F235 HydrophobicContact CG1-CE2 3.8Å; V226-F235 HydrophobicContact CG1-CZ 3.92Å; R231-F235 WeakPolarHBondContact O-CD2 3.46Å; R231-F235 PolarHBondContact O-N 3.46Å; L232-F235 PolarHBondContact O-N 3.4Å; S233-F235 PolarHBondContact O-N 3.4Å; F235-S237 VanDerWaalsContact C-N 3.33Å; F235-S237 PolarHBondContact O-N 3.23Å; F235-L238 WeakPolarHBondContact O-CB 3.45Å; F235-L238 PolarHBondContact O-N 3.19Å; F235-L238 VanDerWaalsContact O-N 3.14Å; F235-Y239 HydrophobicContact CD1-CD2 4.27Å; F235-Y239 AromaticContact CD1-CE2 3.94Å; F235-Y239 HydrophobicContact CD1-CE2 3.94Å; F235-Y239 WeakPolarHBondContact O-CD2 3.19Å; F235-Y239 PolarHBondContact O-N 2.82Å
236R94.6Very high92.8Very high62 Ų6243.5 Ų43.523%0.23425%0.247CC..Hα-helixtrans-59.3-44.8177.1-165.6-177.2-52137.86.8111.9E195 L232 S233 L238 Y239 N240 L253 E263 N264E195-R236 VanDerWaalsContact CD-NH2 3.34Å; E195-R236 IonicContact OE1-CZ 2.99Å; E195-R236 VanDerWaalsContact OE1-CZ 3.3Å; E195-R236 IonicContact OE1-NE 3.92Å; E195-R236 PolarHBondContact OE1-NE 3.05Å; E195-R236 IonicContact OE1-NH2 2.78Å; E195-R236 PolarHBondContact OE1-NH2 2.97Å; E195-R236 IonicContact OE2-CZ 2.84Å; E195-R236 IonicContact OE2-NE 3.3Å; E195-R236 IonicContact OE2-NH2 3.99Å; E195-R236 PolarHBondContact OE2-NH2 2.9Å; L232-R236 WeakPolarHBondContact O-CB 3.47Å; L232-R236 PolarHBondContact O-N 3.41Å; S233-R236 WeakPolarHBondContact O-CB 3.46Å; S233-R236 PolarHBondContact O-N 2.97Å; R236-L238 VanDerWaalsContact C-N 3.34Å; R236-L238 PolarHBondContact O-N 3.24Å; R236-Y239 PolarHBondContact O-N 2.65Å; R236-N240 PolarHBondContact O-N 3.16Å; R236-L253 HydrophobicContact CG-CD2 4.29Å; R236-E263 IonicContact NH2-OE2 3.75Å; R236-N264 PolarHBondContact NE-ND2 3.42Å; R236-N264 PolarHBondContact NH2-ND2 2.7Å
237S94.3Very high92.9Very high96 Ų9648.5 Ų48.567%0.67127%0.271SS*.Hα-helixtrans-60.9-43174.6178.40000111.8S233 E234 F235 Y239S233-S237 PolarHBondContact O-N 2.77Å; E234-S237 PolarHBondContact O-N 2.86Å; F235-S237 VanDerWaalsContact C-N 3.33Å; F235-S237 PolarHBondContact O-N 3.23Å; S237-Y239 PolarHBondContact O-N 3.44Å
238L96Very high92.9Very high43 Ų4354.6 Ų54.623%0.22530%0.301CS..Hα-helixtrans-62.7-40.4177.4179.162000112.6K146 P147 L175 E234 F235 R236K146-L238 VanDerWaalsContact C-CD2 3.47Å; P147-L238 HydrophobicContact CG-CD2 4.43Å; L175-L238 HydrophobicContact CD1-CD1 3.78Å; L175-L238 HydrophobicContact CD1-CG 4.11Å; L175-L238 WeakPolarHBondContact CD1-O 3.47Å; L175-L238 HydrophobicContact CD2-CD1 4.14Å; L175-L238 HydrophobicContact CD2-CD2 4.07Å; L175-L238 HydrophobicContact CD2-CG 3.9Å; E234-L238 WeakPolarHBondContact O-CB 3.44Å; E234-L238 PolarHBondContact O-N 3.02Å; F235-L238 WeakPolarHBondContact O-CB 3.45Å; F235-L238 PolarHBondContact O-N 3.19Å; F235-L238 VanDerWaalsContact O-N 3.14Å; R236-L238 VanDerWaalsContact C-N 3.34Å; R236-L238 PolarHBondContact O-N 3.24Å
239Y97.4Very high93Very high1 Ų158.1 Ų58.10%0.00431%0.309CS..Hα-helixtrans-93.61.9-173.6-80.2-85.7000114.6Q145 L175 S178 V179 F199 I202 F235 R236 S237 N241 A242 L243Q145-Y239 WeakPolarHBondContact O-CE2 3.07Å; Q145-Y239 PolarHBondContact O-OH 2.9Å; L175-Y239 HydrophobicContact CB-CD1 4.27Å; L175-Y239 HydrophobicContact CB-CE1 3.95Å; L175-Y239 HydrophobicContact CD2-CD1 4.45Å; L175-Y239 HydrophobicContact CD2-CE1 3.79Å; L175-Y239 HydrophobicContact CD2-CE2 4.09Å; L175-Y239 WeakPolarHBondContact CD2-OH 3.4Å; L175-Y239 HydrophobicContact CG-CE1 4.47Å; L175-Y239 WeakPolarHBondContact O-CE1 3.23Å; S178-Y239 VanDerWaalsContact OG-CE1 3.29Å; S178-Y239 WeakPolarHBondContact OG-CE1 3.49Å; S178-Y239 PolarHBondContact OG-OH 3.35Å; V179-Y239 HydrophobicContact CB-CD1 4.16Å; V179-Y239 HydrophobicContact CB-CE1 4.23Å; F199-Y239 HydrophobicContact CD1-CD2 4.23Å; F199-Y239 HydrophobicContact CD1-CE2 4.46Å; F199-Y239 AromaticContact CE1-CD2 3.74Å; F199-Y239 HydrophobicContact CE1-CD2 3.74Å; F199-Y239 HydrophobicContact CE1-CE2 4.4Å; F199-Y239 HydrophobicContact CE1-CG 4.11Å; I202-Y239 HydrophobicContact CD1-CD1 4.45Å; I202-Y239 HydrophobicContact CD1-CE1 3.9Å; I202-Y239 HydrophobicContact CD1-CE2 4.31Å; I202-Y239 HydrophobicContact CG2-CE2 4.25Å; I202-Y239 WeakPolarHBondContact CG2-OH 3.4Å; F235-Y239 HydrophobicContact CD1-CD2 4.27Å; F235-Y239 AromaticContact CD1-CE2 3.94Å; F235-Y239 HydrophobicContact CD1-CE2 3.94Å; F235-Y239 WeakPolarHBondContact O-CD2 3.19Å; F235-Y239 PolarHBondContact O-N 2.82Å; R236-Y239 PolarHBondContact O-N 2.65Å; S237-Y239 PolarHBondContact O-N 3.44Å; Y239-N241 PolarHBondContact O-N 3.01Å; Y239-A242 HydrophobicContact CD1-CB 4.26Å; Y239-A242 PolarHBondContact O-N 3.22Å; Y239-A242 VanDerWaalsContact O-N 3.08Å; Y239-L243 WeakPolarHBondContact O-CG 3.38Å; Y239-L243 PolarHBondContact O-N 3.08Å
240N95.4Very high93.2Very high77 Ų7753.5 Ų53.541%0.41229%0.293SS..Hα-helixtrans-50.4-56-173.5-170.777.4000112.5R236 A242 L243 D244R236-N240 PolarHBondContact O-N 3.16Å; N240-A242 VanDerWaalsContact C-N 3.31Å; N240-A242 PolarHBondContact O-N 2.92Å; N240-L243 PolarHBondContact O-N 3.47Å; N240-D244 PolarHBondContact ND2-OD2 2.91Å; N240-D244 VanDerWaalsContact O-CG 3.29Å; N240-D244 PolarHBondContact O-N 2.94Å
241N95.2Very high93.5Very high94 Ų9450 Ų5050%0.50327%0.268SS..Hα-helixtrans-63.1-36-178.5-62.7-10.7000113Y239 S245Y239-N241 PolarHBondContact O-N 3.01Å; N241-S245 PolarHBondContact O-N 2.73Å; N241-S245 PolarHBondContact O-OG 3.25Å
242A97.1Very high93.7Very high8 Ų849.6 Ų49.67%0.06627%0.27CS..Hα-helixtrans-70.3-40.6178.700000111.3L175 L176 V179 Y239 N240 S245 L246L175-A242 HydrophobicContact CB-CB 4.32Å; L176-A242 HydrophobicContact CB-CB 4.41Å; L176-A242 HydrophobicContact CD1-CB 4.42Å; V179-A242 HydrophobicContact CG1-CB 4.15Å; Y239-A242 HydrophobicContact CD1-CB 4.26Å; Y239-A242 PolarHBondContact O-N 3.22Å; Y239-A242 VanDerWaalsContact O-N 3.08Å; N240-A242 VanDerWaalsContact C-N 3.31Å; N240-A242 PolarHBondContact O-N 2.92Å; A242-S245 PolarHBondContact O-N 3.26Å; A242-L246 WeakPolarHBondContact O-CG 3.5Å; A242-L246 PolarHBondContact O-N 3.31Å; A242-L246 VanDerWaalsContact O-N 3.16Å
243L96Very high93.7Very high15 Ų1551.3 Ų51.38%0.07928%0.279CS..Hα-helixtrans-67.2-40.6175.5-71.3169.4000111.4V179 Y239 N240 S245 L246 Q247 L253 L266V179-L243 HydrophobicContact CG2-CD2 4.06Å; Y239-L243 WeakPolarHBondContact O-CG 3.38Å; Y239-L243 PolarHBondContact O-N 3.08Å; N240-L243 PolarHBondContact O-N 3.47Å; L243-S245 VanDerWaalsContact C-N 3.33Å; L243-S245 PolarHBondContact O-N 2.88Å; L243-L246 PolarHBondContact O-N 2.94Å; L243-L246 VanDerWaalsContact O-N 3.11Å; L243-Q247 WeakPolarHBondContact O-CG 3.22Å; L243-Q247 PolarHBondContact O-N 3.44Å; L243-L253 HydrophobicContact CD1-CD2 4.09Å; L243-L266 HydrophobicContact CD2-CD1 4.21Å
244D95.3Very high93.7Very high71 Ų7152.9 Ų52.938%0.3828%0.278SS..Hα-helixtrans-60.1-43.3174.3-71.2-20.9000111.5N240 L246 Q247N240-D244 PolarHBondContact ND2-OD2 2.91Å; N240-D244 VanDerWaalsContact O-CG 3.29Å; N240-D244 PolarHBondContact O-N 2.94Å; D244-L246 PolarHBondContact O-N 3.4Å; D244-Q247 WeakPolarHBondContact O-CB 3.42Å; D244-Q247 PolarHBondContact O-N 3.3Å; D244-Q247 VanDerWaalsContact O-N 3.12Å; D244-Q247 PolarHBondContact OD1-NE2 2.9Å
245S94.6Very high93.6Very high55 Ų5554.5 Ų54.539%0.38529%0.294SS..Hα-helixtrans-60.9-33.7175.1-58.40000112.5N241 A242 L243 Q247N241-S245 PolarHBondContact O-N 2.73Å; N241-S245 PolarHBondContact O-OG 3.25Å; A242-S245 PolarHBondContact O-N 3.26Å; L243-S245 VanDerWaalsContact C-N 3.33Å; L243-S245 PolarHBondContact O-N 2.88Å; S245-Q247 VanDerWaalsContact C-N 3.33Å
246L93.6Very high92.9Very high1 Ų156.8 Ų56.81%0.00530%0.304CS..Hα-helixtrans-77.3-14.6178.5-71.7-179.8000114.1L176 V179 I183 A242 L243 D244 L248 Y249 G250 F251 L282L176-L246 HydrophobicContact CD1-CD2 3.97Å; L176-L246 HydrophobicContact CD1-CG 3.91Å; V179-L246 HydrophobicContact CB-CD1 4.38Å; V179-L246 HydrophobicContact CG1-CD1 3.59Å; V179-L246 HydrophobicContact CG1-CG 4.49Å; V179-L246 HydrophobicContact CG2-CD1 3.9Å; I183-L246 HydrophobicContact CD1-CD1 3.59Å; A242-L246 WeakPolarHBondContact O-CG 3.5Å; A242-L246 PolarHBondContact O-N 3.31Å; A242-L246 VanDerWaalsContact O-N 3.16Å; L243-L246 PolarHBondContact O-N 2.94Å; L243-L246 VanDerWaalsContact O-N 3.11Å; D244-L246 PolarHBondContact O-N 3.4Å; L246-L248 PolarHBondContact O-N 3.49Å; L246-Y249 HydrophobicContact CD2-CD2 4.11Å; L246-Y249 PolarHBondContact O-N 2.65Å; L246-G250 PolarHBondContact O-N 3.44Å; L246-F251 HydrophobicContact CB-CB 4Å; L246-F251 HydrophobicContact CB-CD2 4.26Å; L246-F251 HydrophobicContact CB-CG 4.48Å; L246-F251 HydrophobicContact CD2-CD2 4.5Å; L246-F251 PolarHBondContact O-N 2.81Å; L246-L282 HydrophobicContact CD2-CD2 4.15Å
247Q92.6Very high91.7Very high105 Ų10559.7 Ų59.749%0.49133%0.334SS..Hα-helixtrans-60.9-32.3174.9-61.3-175.523.800112.3L243 D244 S245 Y249 G250 F251L243-Q247 WeakPolarHBondContact O-CG 3.22Å; L243-Q247 PolarHBondContact O-N 3.44Å; D244-Q247 WeakPolarHBondContact O-CB 3.42Å; D244-Q247 PolarHBondContact O-N 3.3Å; D244-Q247 VanDerWaalsContact O-N 3.12Å; D244-Q247 PolarHBondContact OD1-NE2 2.9Å; S245-Q247 VanDerWaalsContact C-N 3.33Å; Q247-Y249 PolarHBondContact O-N 2.95Å; Q247-G250 PolarHBondContact O-N 3.43Å; Q247-F251 VanDerWaalsContact CA-O 3.23Å; Q247-F251 WeakPolarHBondContact CA-O 3.08Å
248L88.3Confident90.5Very high153 Ų15364 Ų6480%0.80134%0.341SS*.THydrogen-bonded Turntrans-60.5-25.8174.8-63.7174.9000112.9L246L246-L248 PolarHBondContact O-N 3.49Å
249Y87.2Confident89.1Confident91 Ų9163.9 Ų63.936%0.35734%0.344SS..THydrogen-bonded Turntrans-98.511.6176.8-53.9-75.8000112.7L246 Q247 W268 Q281L246-Y249 HydrophobicContact CD2-CD2 4.11Å; L246-Y249 PolarHBondContact O-N 2.65Å; Q247-Y249 PolarHBondContact O-N 2.95Å; Y249-W268 PolarHBondContact O-NE1 3.25Å; Y249-Q281 HydrophobicContact CD1-CB 3.99Å; Y249-Q281 HydrophobicContact CD1-CG 4.28Å; Y249-Q281 HydrophobicContact CE1-CB 3.89Å; Y249-Q281 HydrophobicContact CE1-CG 4.09Å
250G90.7Very high87.6Confident14 Ų1470.8 Ų70.814%0.14438%0.381CS..THydrogen-bonded Turntrans85.48.9175.900000115.3L246 Q247 W268 F269L246-G250 PolarHBondContact O-N 3.44Å; Q247-G250 PolarHBondContact O-N 3.43Å; G250-W268 WeakPolarHBondContact O-CA 3.43Å; G250-F269 PolarHBondContact O-N 3.46Å
251F93.4Very high86.3Confident4 Ų474.5 Ų74.52%0.01840%0.395CS..EExtended strand (participates in β ladder)trans-85.4136.1174.5-65.7-81.7000111.2I183 F191 L246 Q247 L266 H267 W268 L282I183-F251 HydrophobicContact CD1-CD1 3.96Å; I183-F251 HydrophobicContact CD1-CE1 4.01Å; I183-F251 HydrophobicContact CD1-CG 4.23Å; I183-F251 HydrophobicContact CD1-CZ 4.33Å; I183-F251 HydrophobicContact CG1-CE1 4.4Å; I183-F251 HydrophobicContact CG2-CE1 3.58Å; I183-F251 HydrophobicContact CG2-CZ 3.71Å; F191-F251 HydrophobicContact CE1-CD1 4.45Å; F191-F251 HydrophobicContact CE1-CE1 4.13Å; F191-F251 HydrophobicContact CZ-CE1 4.45Å; L246-F251 HydrophobicContact CB-CB 4Å; L246-F251 HydrophobicContact CB-CD2 4.26Å; L246-F251 HydrophobicContact CB-CG 4.48Å; L246-F251 HydrophobicContact CD2-CD2 4.5Å; L246-F251 PolarHBondContact O-N 2.81Å; Q247-F251 VanDerWaalsContact CA-O 3.23Å; Q247-F251 WeakPolarHBondContact CA-O 3.08Å; F251-L266 HydrophobicContact CB-CD1 4.23Å; F251-L266 HydrophobicContact CD1-CD2 4.47Å; F251-H267 CarbonylContact C-O 3.53Å; F251-H267 VanDerWaalsContact CA-O 3.28Å; F251-H267 WeakPolarHBondContact CA-O 3.5Å; F251-W268 HydrophobicContact CD1-CB 3.79Å; F251-W268 HydrophobicContact CD1-CD2 4.47Å; F251-W268 AromaticContact CD1-CG 3.89Å; F251-W268 HydrophobicContact CD1-CG 3.89Å; F251-W268 HydrophobicContact CE1-CB 3.62Å; F251-W268 AromaticContact CE1-CD1 3.95Å; F251-W268 AromaticContact CE1-CD2 3.58Å; F251-W268 HydrophobicContact CE1-CD2 3.58Å; F251-W268 AromaticContact CE1-CE3 3.85Å; F251-W268 HydrophobicContact CE1-CE3 3.85Å; F251-W268 AromaticContact CE1-CG 3.45Å; F251-W268 HydrophobicContact CE1-CG 3.45Å; F251-W268 VanDerWaalsContact CE1-CG 3.45Å; F251-W268 HydrophobicContact CE2-CD2 4.37Å; F251-W268 HydrophobicContact CE2-CG 4.43Å; F251-W268 HydrophobicContact CZ-CB 4.4Å; F251-W268 AromaticContact CZ-CD1 3.96Å; F251-W268 AromaticContact CZ-CD2 3.5Å; F251-W268 HydrophobicContact CZ-CD2 3.5Å; F251-W268 AromaticContact CZ-CE2 3.78Å; F251-W268 AromaticContact CZ-CE3 3.81Å; F251-W268 HydrophobicContact CZ-CE3 3.81Å; F251-W268 AromaticContact CZ-CG 3.74Å; F251-W268 HydrophobicContact CZ-CG 3.74Å; F251-W268 HydrophobicContact CZ-CZ2 4.43Å; F251-W268 HydrophobicContact CZ-CZ3 4.37Å; F251-W268 AromaticContact CZ-NE1 3.98Å; F251-L282 HydrophobicContact CE2-CD1 4.41Å; F251-L282 HydrophobicContact CE2-CD2 3.87Å; F251-L282 HydrophobicContact CE2-CG 4.38Å; F251-L282 HydrophobicContact CZ-CD1 4.01Å; F251-L282 HydrophobicContact CZ-CD2 4.18Å; F251-L282 HydrophobicContact CZ-CG 4.47Å
252S93.4Very high85.3Confident22 Ų2270.4 Ų70.415%0.15437%0.374CS..EExtended strand (participates in β ladder)trans-148.6131.5176.7-175.10000111.2K254 H267S252-K254 VanDerWaalsContact OG-CE 3.26Å; S252-K254 WeakPolarHBondContact OG-CE 3.41Å; S252-H267 PolarHBondContact N-O 3.15Å; S252-H267 PolarHBondContact O-N 2.66Å
253L93.4Very high84.6Confident38 Ų3873.6 Ų73.620%0.19939%0.387CS..EExtended strand (participates in β ladder)trans-81.7118.8173.6-167.372.8000108.5R236 L243 N264 L266R236-L253 HydrophobicContact CG-CD2 4.29Å; L243-L253 HydrophobicContact CD1-CD2 4.09Å; L253-N264 HydrophobicContact CD1-CB 3.85Å; L253-N264 HydrophobicContact CD2-CB 4.12Å; L253-N264 HydrophobicContact CG-CB 3.75Å; L253-L266 HydrophobicContact CD1-CB 4.21Å
254K91.6Very high84.4Confident92 Ų9273.8 Ų73.840%0.439%0.389SS..EExtended strand (participates in β ladder)trans-120.6150.4-177.8-63.2-63.3-172.9-173.20111.3S252 F256 N264 E265 F269S252-K254 VanDerWaalsContact OG-CE 3.26Å; S252-K254 WeakPolarHBondContact OG-CE 3.41Å; K254-F256 PolarHBondContact O-N 3.17Å; K254-N264 CarbonylContact O-C 3.48Å; K254-N264 WeakPolarHBondContact O-CA 3.12Å; K254-N264 WeakPolarHBondContact O-CB 3.43Å; K254-E265 PolarHBondContact N-O 3.27Å; K254-E265 PolarHBondContact O-N 2.91Å; K254-F269 HydrophobicContact CG-CE2 4.09Å; K254-F269 HydrophobicContact CG-CZ 4.15Å
255P89.9Confident84.4Confident98 Ų9871.8 Ų71.864%0.63638%0.377SS*.EExtended strand (participates in β ladder)trans-57.9132.3173.3-24.534.4000112.1E263P255-E263 CarbonylContact C-O 3.48Å; P255-E263 VanDerWaalsContact CA-O 3.27Å; P255-E263 WeakPolarHBondContact CA-O 3.48Å
256F82Confident84.4Confident52 Ų5269.2 Ų69.223%0.22836%0.359CS..  trans-109.398.6-180-176.9-123.3000110.5K254 K258 E263 E265K254-F256 PolarHBondContact O-N 3.17Å; F256-K258 HydrophobicContact CD2-CB 4.47Å; F256-K258 HydrophobicContact CE1-CB 3.97Å; F256-K258 HydrophobicContact CE2-CB 3.88Å; F256-K258 HydrophobicContact CE2-CD 4.3Å; F256-K258 HydrophobicContact CE2-CG 4.38Å; F256-K258 HydrophobicContact CZ-CB 3.62Å; F256-K258 HydrophobicContact CZ-CD 4.48Å; F256-K258 PolarHBondContact O-N 3.16Å; F256-K258 VanDerWaalsContact O-N 3.16Å; F256-E263 PolarHBondContact N-O 2.69Å; F256-E265 HydrophobicContact CB-CB 4.2Å; F256-E265 HydrophobicContact CB-CG 4.14Å; F256-E265 HydrophobicContact CD2-CB 4.44Å; F256-E265 HydrophobicContact CD2-CG 4.04Å; F256-E265 WeakPolarHBondContact CD2-OE1 3.38Å; F256-E265 VanDerWaalsContact CD2-OE2 3.23Å; F256-E265 WeakPolarHBondContact CD2-OE2 3.48Å; F256-E265 VanDerWaalsContact CE2-OE2 3.28Å; F256-E265 WeakPolarHBondContact CE2-OE2 3.23Å; F256-E265 HydrophobicContact CG-CB 4.39Å; F256-E265 HydrophobicContact CG-CG 4.36Å
257S68.8Low84.4Confident123 Ų12371 Ų7186%0.8637%0.367SS*.THydrogen-bonded Turntrans-72.6-4.6-174-52.40000115
258K68.8Low84.4Confident186 Ų18667.4 Ų67.481%0.80935%0.349SS*.THydrogen-bonded Turntrans-96.8-1.4-170.8-69.6-176.4179.5177.90115.1F256F256-K258 HydrophobicContact CD2-CB 4.47Å; F256-K258 HydrophobicContact CE1-CB 3.97Å; F256-K258 HydrophobicContact CE2-CB 3.88Å; F256-K258 HydrophobicContact CE2-CD 4.3Å; F256-K258 HydrophobicContact CE2-CG 4.38Å; F256-K258 HydrophobicContact CZ-CB 3.62Å; F256-K258 HydrophobicContact CZ-CD 4.48Å; F256-K258 PolarHBondContact O-N 3.16Å; F256-K258 VanDerWaalsContact O-N 3.16Å
259S66.7Low84.2Confident42 Ų4266 Ų6629%0.29434%0.337SS..  trans-131.6134.6179.8103.70000114.2H261 C262S259-H261 PolarHBondContact O-N 3.4Å; S259-H261 PolarHBondContact OG-N 3.03Å; S259-C262 WeakPolarHBondContact OG-CA 3.28Å; S259-C262 VanDerWaalsContact OG-CB 3.25Å; S259-C262 WeakPolarHBondContact OG-CB 3.44Å; S259-C262 PolarHBondContact OG-N 2.95Å; S259-C262 PolarHBondContact OG-O 3.2Å
260N64.8Low83.4Confident146 Ų14668.3 Ų68.378%0.78135%0.349SS*.SBendtrans-69.4-10.8176.2-74.6-14.5000113.7
261H69.3Low82Confident154 Ų15471 Ų7171%0.71336%0.363SS*.SBendtrans-121.4-18.4-168.8-63.6-37.1000114.8S259S259-H261 PolarHBondContact O-N 3.4Å; S259-H261 PolarHBondContact OG-N 3.03Å
262C74.3Confident80.2Confident8 Ų874 Ų745%0.05439%0.385CS..  trans-131.5116.5-179.1-170.40000108.4E195 Y196 S259 N264E195-C262 VanDerWaalsContact CB-SG 3.58Å; E195-C262 PolarHBondContact N-SG 3.31Å; Y196-C262 PolarHBondContact N-SG 2.82Å; S259-C262 WeakPolarHBondContact OG-CA 3.28Å; S259-C262 VanDerWaalsContact OG-CB 3.25Å; S259-C262 WeakPolarHBondContact OG-CB 3.44Å; S259-C262 PolarHBondContact OG-N 2.95Å; S259-C262 PolarHBondContact OG-O 3.2Å; C262-N264 PolarHBondContact SG-O 3.3Å
263E82.6Confident78.6Confident75 Ų7581.7 Ų81.735%0.3542%0.424SS..  trans-89.3-12.4-171.9-67.5177.416500112.7K229 R236 P255 F256K229-E263 VanDerWaalsContact CD-OE1 3.27Å; K229-E263 WeakPolarHBondContact CD-OE1 3.31Å; K229-E263 WeakPolarHBondContact CE-OE1 3.46Å; K229-E263 IonicContact NZ-OE1 2.73Å; K229-E263 PolarHBondContact NZ-OE1 3.15Å; R236-E263 IonicContact NH2-OE2 3.75Å; P255-E263 CarbonylContact C-O 3.48Å; P255-E263 VanDerWaalsContact CA-O 3.27Å; P255-E263 WeakPolarHBondContact CA-O 3.48Å; F256-E263 PolarHBondContact N-O 2.69Å
264N92.2Very high77.9Confident20 Ų2084.1 Ų84.111%0.10744%0.437CS..EExtended strand (participates in β ladder)trans-140.4158.9-176.6-52.5-80.6000113E195 R236 L253 K254 C262E195-N264 HydrophobicContact CB-CB 4.23Å; E195-N264 WeakPolarHBondContact CB-O 3.34Å; E195-N264 PolarHBondContact N-O 3.3Å; E195-N264 PolarHBondContact OE2-ND2 3.03Å; R236-N264 PolarHBondContact NE-ND2 3.42Å; R236-N264 PolarHBondContact NH2-ND2 2.7Å; L253-N264 HydrophobicContact CD1-CB 3.85Å; L253-N264 HydrophobicContact CD2-CB 4.12Å; L253-N264 HydrophobicContact CG-CB 3.75Å; K254-N264 CarbonylContact O-C 3.48Å; K254-N264 WeakPolarHBondContact O-CA 3.12Å; K254-N264 WeakPolarHBondContact O-CB 3.43Å; C262-N264 PolarHBondContact SG-O 3.3Å
265E93.6Very high77.6Confident29 Ų2983.9 Ų83.914%0.13644%0.437CS..EExtended strand (participates in β ladder)trans-136.4144.3169.369.7-175167.400110.9P192 L193 K254 F256 H267P192-E265 HydrophobicContact CB-CB 4.48Å; P192-E265 HydrophobicContact CB-CG 4.19Å; P192-E265 WeakPolarHBondContact CG-OE2 3.37Å; L193-E265 CarbonylContact O-C 3.59Å; L193-E265 WeakPolarHBondContact O-CA 3.48Å; K254-E265 PolarHBondContact N-O 3.27Å; K254-E265 PolarHBondContact O-N 2.91Å; F256-E265 HydrophobicContact CB-CB 4.2Å; F256-E265 HydrophobicContact CB-CG 4.14Å; F256-E265 HydrophobicContact CD2-CB 4.44Å; F256-E265 HydrophobicContact CD2-CG 4.04Å; F256-E265 WeakPolarHBondContact CD2-OE1 3.38Å; F256-E265 VanDerWaalsContact CD2-OE2 3.23Å; F256-E265 WeakPolarHBondContact CD2-OE2 3.48Å; F256-E265 VanDerWaalsContact CE2-OE2 3.28Å; F256-E265 WeakPolarHBondContact CE2-OE2 3.23Å; F256-E265 HydrophobicContact CG-CB 4.39Å; F256-E265 HydrophobicContact CG-CG 4.36Å; E265-H267 WeakPolarHBondContact CG-NE2 3.47Å; E265-H267 IonicContact OE1-CE1 3.14Å; E265-H267 PolarHBondContact OE1-CE1 2.95Å; E265-H267 IonicContact OE1-NE2 3.14Å; E265-H267 PolarHBondContact OE1-NE2 3.05Å; E265-H267 VanDerWaalsContact OE1-NE2 3.14Å
266L95.2Very high77.6Confident0 Ų080.3 Ų80.30%042%0.415CS..EExtended strand (participates in β ladder)trans-89116.1177.8-176.770.2000108.7I183 P192 L193 L198 L243 F251 L253I183-L266 HydrophobicContact CD1-CD2 3.87Å; I183-L266 HydrophobicContact CG1-CD2 3.7Å; P192-L266 WeakPolarHBondContact CA-O 3.23Å; L193-L266 HydrophobicContact CB-CB 4.42Å; L193-L266 PolarHBondContact N-O 3.21Å; L193-L266 PolarHBondContact O-N 3.25Å; L198-L266 HydrophobicContact CD1-CD2 4.12Å; L198-L266 HydrophobicContact CD2-CD2 4.44Å; L243-L266 HydrophobicContact CD2-CD1 4.21Å; F251-L266 HydrophobicContact CB-CD1 4.23Å; F251-L266 HydrophobicContact CD1-CD2 4.47Å; L253-L266 HydrophobicContact CD1-CB 4.21Å
267H93.9Very high78Confident39 Ų3982.1 Ų82.118%0.18142%0.424CS..EExtended strand (participates in β ladder)trans-100.5159.8173.5-63.5-97.2000111F251 S252 E265 F269F251-H267 CarbonylContact C-O 3.53Å; F251-H267 VanDerWaalsContact CA-O 3.28Å; F251-H267 WeakPolarHBondContact CA-O 3.5Å; S252-H267 PolarHBondContact N-O 3.15Å; S252-H267 PolarHBondContact O-N 2.66Å; E265-H267 WeakPolarHBondContact CG-NE2 3.47Å; E265-H267 IonicContact OE1-CE1 3.14Å; E265-H267 PolarHBondContact OE1-CE1 2.95Å; E265-H267 IonicContact OE1-NE2 3.14Å; E265-H267 PolarHBondContact OE1-NE2 3.05Å; E265-H267 VanDerWaalsContact OE1-NE2 3.14Å; H267-F269 HydrophobicContact CB-CD1 4.43Å; H267-F269 HydrophobicContact CB-CD2 3.8Å; H267-F269 HydrophobicContact CB-CE1 3.94Å; H267-F269 HydrophobicContact CB-CE2 3.23Å; H267-F269 HydrophobicContact CB-CG 4.37Å; H267-F269 HydrophobicContact CB-CZ 3.3Å; H267-F269 AromaticContact CD2-CZ 3.79Å; H267-F269 AromaticContact CG-CE2 3.81Å; H267-F269 AromaticContact CG-CZ 3.41Å; H267-F269 VanDerWaalsContact CG-CZ 3.41Å; H267-F269 AromaticContact ND1-CZ 3.87Å
268W91.9Very high79Confident29 Ų2977.1 Ų77.111%0.1139%0.388CS..EExtended strand (participates in β ladder)trans-124.4101.2168.5-174.412.7000109.2Y187 F191 Y249 G250 F251 K270 P271 N278Y187-W268 AromaticContact CD1-CZ3 3.9Å; Y187-W268 HydrophobicContact CD1-CZ3 3.9Å; Y187-W268 AromaticContact CD2-CE3 3.5Å; Y187-W268 HydrophobicContact CD2-CE3 3.5Å; Y187-W268 AromaticContact CD2-CZ3 3.61Å; Y187-W268 HydrophobicContact CD2-CZ3 3.61Å; Y187-W268 HydrophobicContact CE1-CE3 4.44Å; Y187-W268 HydrophobicContact CE1-CH2 4.41Å; Y187-W268 AromaticContact CE1-CZ3 3.63Å; Y187-W268 HydrophobicContact CE1-CZ3 3.63Å; Y187-W268 AromaticContact CE2-CE3 3.3Å; Y187-W268 HydrophobicContact CE2-CE3 3.3Å; Y187-W268 AromaticContact CE2-CZ3 3.33Å; Y187-W268 HydrophobicContact CE2-CZ3 3.33Å; Y187-W268 HydrophobicContact CG-CE3 4.18Å; Y187-W268 AromaticContact CG-CZ3 3.88Å; Y187-W268 HydrophobicContact CG-CZ3 3.88Å; Y187-W268 AromaticContact CZ-CE3 3.81Å; Y187-W268 AromaticContact CZ-CZ3 3.33Å; F191-W268 HydrophobicContact CD1-CB 4.3Å; F191-W268 HydrophobicContact CE1-CB 4.29Å; Y249-W268 PolarHBondContact O-NE1 3.25Å; G250-W268 WeakPolarHBondContact O-CA 3.43Å; F251-W268 HydrophobicContact CD1-CB 3.79Å; F251-W268 HydrophobicContact CD1-CD2 4.47Å; F251-W268 AromaticContact CD1-CG 3.89Å; F251-W268 HydrophobicContact CD1-CG 3.89Å; F251-W268 HydrophobicContact CE1-CB 3.62Å; F251-W268 AromaticContact CE1-CD1 3.95Å; F251-W268 AromaticContact CE1-CD2 3.58Å; F251-W268 HydrophobicContact CE1-CD2 3.58Å; F251-W268 AromaticContact CE1-CE3 3.85Å; F251-W268 HydrophobicContact CE1-CE3 3.85Å; F251-W268 AromaticContact CE1-CG 3.45Å; F251-W268 HydrophobicContact CE1-CG 3.45Å; F251-W268 VanDerWaalsContact CE1-CG 3.45Å; F251-W268 HydrophobicContact CE2-CD2 4.37Å; F251-W268 HydrophobicContact CE2-CG 4.43Å; F251-W268 HydrophobicContact CZ-CB 4.4Å; F251-W268 AromaticContact CZ-CD1 3.96Å; F251-W268 AromaticContact CZ-CD2 3.5Å; F251-W268 HydrophobicContact CZ-CD2 3.5Å; F251-W268 AromaticContact CZ-CE2 3.78Å; F251-W268 AromaticContact CZ-CE3 3.81Å; F251-W268 HydrophobicContact CZ-CE3 3.81Å; F251-W268 AromaticContact CZ-CG 3.74Å; F251-W268 HydrophobicContact CZ-CG 3.74Å; F251-W268 HydrophobicContact CZ-CZ2 4.43Å; F251-W268 HydrophobicContact CZ-CZ3 4.37Å; F251-W268 AromaticContact CZ-NE1 3.98Å; W268-K270 PolarHBondContact NE1-O 3.49Å; W268-P271 HydrophobicContact CH2-CB 4.48Å; W268-P271 HydrophobicContact CZ2-CB 4.04Å; W268-N278 HydrophobicContact CH2-CB 3.5Å; W268-N278 VanDerWaalsContact CH2-CB 3.5Å; W268-N278 HydrophobicContact CZ2-CB 3.23Å
269F83.8Confident80.2Confident124 Ų12468.3 Ų68.354%0.54435%0.349SS..  trans-89.9-2.7-168.1-69.3-71.5000114.4G250 K254 H267G250-F269 PolarHBondContact O-N 3.46Å; K254-F269 HydrophobicContact CG-CE2 4.09Å; K254-F269 HydrophobicContact CG-CZ 4.15Å; H267-F269 HydrophobicContact CB-CD1 4.43Å; H267-F269 HydrophobicContact CB-CD2 3.8Å; H267-F269 HydrophobicContact CB-CE1 3.94Å; H267-F269 HydrophobicContact CB-CE2 3.23Å; H267-F269 HydrophobicContact CB-CG 4.37Å; H267-F269 HydrophobicContact CB-CZ 3.3Å; H267-F269 AromaticContact CD2-CZ 3.79Å; H267-F269 AromaticContact CG-CE2 3.81Å; H267-F269 AromaticContact CG-CZ 3.41Å; H267-F269 VanDerWaalsContact CG-CZ 3.41Å; H267-F269 AromaticContact ND1-CZ 3.87Å
270K70.8Confident81.5Confident140 Ų14067.5 Ų67.561%0.60934%0.34SS*.  trans-149.968.2-173.7-155.9-179.7-173.4-177.30112.3W268 C272W268-K270 PolarHBondContact NE1-O 3.49Å; K270-C272 VanDerWaalsContact C-N 3.28Å; K270-C272 PolarHBondContact O-N 3.08Å
271P60.9Low82.9Confident69 Ų6962.2 Ų62.245%0.44831%0.311SS..  trans-6897.9160.428.8-27.5000106.2W268W268-P271 HydrophobicContact CH2-CB 4.48Å; W268-P271 HydrophobicContact CZ2-CB 4.04Å
272C55.7Low84.2Confident69 Ų6955 Ų5547%0.46628%0.277SS..  trans-49.1152.2163.5-65.90000108.4K270 N274 N278K270-C272 VanDerWaalsContact C-N 3.28Å; K270-C272 PolarHBondContact O-N 3.08Å; C272-N274 CarbonylContact O-C 3.58Å; C272-N274 PolarHBondContact O-N 3.36Å; C272-N278 PolarHBondContact N-ND2 3.07Å; C272-N278 PolarHBondContact O-ND2 3.08Å
273N60.3Low85.3Confident182 Ų18254.6 Ų54.697%0.97328%0.275SS*.SBendtrans-53.15.2-169.3-63-9.1000117.3
274N79.2Confident86Confident89 Ų8955.3 Ų55.348%0.47628%0.277SS..  trans-131.6103.5169.8-164.7-0.8000111.1C272 S276 E277 N278C272-N274 CarbonylContact O-C 3.58Å; C272-N274 PolarHBondContact O-N 3.36Å; N274-S276 PolarHBondContact ND2-OG 3.08Å; N274-S276 PolarHBondContact O-N 2.91Å; N274-S276 PolarHBondContact OD1-N 2.91Å; N274-S276 PolarHBondContact OD1-OG 2.98Å; N274-E277 HydrophobicContact CB-CB 4.2Å; N274-E277 PolarHBondContact O-N 3.22Å; N274-N278 PolarHBondContact O-N 2.98Å; N274-N278 PolarHBondContact O-ND2 2.93Å
275E85.3Confident86.2Confident87 Ų8755.6 Ų55.641%0.40728%0.279SS..Hα-helixtrans-51.6-42.1175.3-178.3-176.3154.300111.4Y187 E277 N278 I279Y187-E275 HydrophobicContact CE1-CG 4Å; Y187-E275 WeakPolarHBondContact CE1-OE1 3.39Å; E275-E277 VanDerWaalsContact C-N 3.31Å; E275-E277 PolarHBondContact O-N 2.94Å; E275-N278 PolarHBondContact O-N 3.21Å; E275-N278 VanDerWaalsContact O-N 3.14Å; E275-I279 HydrophobicContact CG-CG1 4.17Å; E275-I279 WeakPolarHBondContact O-CG1 3.11Å; E275-I279 PolarHBondContact O-N 3.42Å
276S89.6Confident86.4Confident23 Ų2354.3 Ų54.316%0.16127%0.273CS..Hα-helixtrans-63.4-35.8-176.670.20000112.4N274 N278 I279 F280 S311 N312N274-S276 PolarHBondContact ND2-OG 3.08Å; N274-S276 PolarHBondContact O-N 2.91Å; N274-S276 PolarHBondContact OD1-N 2.91Å; N274-S276 PolarHBondContact OD1-OG 2.98Å; S276-N278 PolarHBondContact O-N 3.45Å; S276-I279 PolarHBondContact O-N 3.32Å; S276-F280 VanDerWaalsContact O-CB 3.3Å; S276-F280 WeakPolarHBondContact O-CB 3.3Å; S276-F280 PolarHBondContact O-N 3.44Å; S276-S311 WeakPolarHBondContact CB-O 3.41Å; S276-S311 VanDerWaalsContact O-CB 3.3Å; S276-S311 WeakPolarHBondContact O-CB 3.5Å; S276-N312 WeakPolarHBondContact CB-OD1 3.43Å
277E90.2Very high86.6Confident90 Ų9054.6 Ų54.642%0.42128%0.275SS..Hα-helixtrans-64.2-42.5176-177.755.3-142.400111.1N274 E275 F280 Q281N274-E277 HydrophobicContact CB-CB 4.2Å; N274-E277 PolarHBondContact O-N 3.22Å; E275-E277 VanDerWaalsContact C-N 3.31Å; E275-E277 PolarHBondContact O-N 2.94Å; E277-F280 WeakPolarHBondContact O-CB 3.46Å; E277-F280 PolarHBondContact O-N 3.28Å; E277-Q281 WeakPolarHBondContact O-CG 3.31Å; E277-Q281 PolarHBondContact O-N 2.98Å; E277-Q281 PolarHBondContact OE1-NE2 2.92Å
278N89.1Confident86.7Confident19 Ų1956.5 Ų56.510%0.10229%0.286CS..Hα-helixtrans-69-39.1179-59.6-55000112W268 C272 N274 E275 S276 F280 Q281 L282W268-N278 HydrophobicContact CH2-CB 3.5Å; W268-N278 VanDerWaalsContact CH2-CB 3.5Å; W268-N278 HydrophobicContact CZ2-CB 3.23Å; C272-N278 PolarHBondContact N-ND2 3.07Å; C272-N278 PolarHBondContact O-ND2 3.08Å; N274-N278 PolarHBondContact O-N 2.98Å; N274-N278 PolarHBondContact O-ND2 2.93Å; E275-N278 PolarHBondContact O-N 3.21Å; E275-N278 VanDerWaalsContact O-N 3.14Å; S276-N278 PolarHBondContact O-N 3.45Å; N278-F280 VanDerWaalsContact C-N 3.28Å; N278-F280 PolarHBondContact O-N 3.38Å; N278-Q281 PolarHBondContact O-N 3.47Å; N278-L282 PolarHBondContact O-N 3.24Å; N278-L282 VanDerWaalsContact O-N 3.15Å
279I94.5Very high86.8Confident0 Ų057.7 Ų57.70%029%0.292CS..Hα-helixtrans-61.2-40171.8-65.5-61.8000110.5L184 Y187 E275 S276 Q281 L282 L283L184-I279 HydrophobicContact CD2-CD1 3.83Å; L184-I279 HydrophobicContact CD2-CG2 3.76Å; Y187-I279 HydrophobicContact CD1-CD1 4.16Å; E275-I279 HydrophobicContact CG-CG1 4.17Å; E275-I279 WeakPolarHBondContact O-CG1 3.11Å; E275-I279 PolarHBondContact O-N 3.42Å; S276-I279 PolarHBondContact O-N 3.32Å; I279-Q281 VanDerWaalsContact C-N 3.34Å; I279-Q281 PolarHBondContact O-N 3.19Å; I279-L282 HydrophobicContact CD1-CD1 4.43Å; I279-L282 PolarHBondContact O-N 2.95Å; I279-L283 HydrophobicContact CG2-CD1 3.86Å; I279-L283 HydrophobicContact CG2-CG 4.34Å; I279-L283 VanDerWaalsContact O-CG 3.31Å; I279-L283 WeakPolarHBondContact O-CG 3.33Å; I279-L283 PolarHBondContact O-N 3.49Å
280F95Very high87.4Confident25 Ų2551.8 Ų51.811%0.1127%0.267CS..Hα-helixtrans-60.8-41.5176-176.9-97.6000112S276 E277 N278 L282 L283 K284 N304 R307 T308S276-F280 VanDerWaalsContact O-CB 3.3Å; S276-F280 WeakPolarHBondContact O-CB 3.3Å; S276-F280 PolarHBondContact O-N 3.44Å; E277-F280 WeakPolarHBondContact O-CB 3.46Å; E277-F280 PolarHBondContact O-N 3.28Å; N278-F280 VanDerWaalsContact C-N 3.28Å; N278-F280 PolarHBondContact O-N 3.38Å; F280-L282 PolarHBondContact O-N 3.14Å; F280-L283 PolarHBondContact O-N 3.37Å; F280-K284 HydrophobicContact CE1-CD 4.36Å; F280-K284 HydrophobicContact CE1-CG 4.41Å; F280-K284 PolarHBondContact O-N 3.39Å; F280-N304 HydrophobicContact CZ-CB 4.44Å; F280-R307 HydrophobicContact CD2-CB 3.6Å; F280-R307 HydrophobicContact CE2-CB 3.4Å; F280-R307 HydrophobicContact CZ-CB 4.34Å; F280-T308 VanDerWaalsContact CE2-OG1 3.3Å; F280-T308 WeakPolarHBondContact CE2-OG1 3.21Å
281Q93.5Very high88.6Confident35 Ų3545.1 Ų45.116%0.16424%0.238CC..Hα-helixtrans-64.3-38.5175.2-61.1-58.9-32.800112.6Y249 E277 N278 I279 L283 K284Y249-Q281 HydrophobicContact CD1-CB 3.99Å; Y249-Q281 HydrophobicContact CD1-CG 4.28Å; Y249-Q281 HydrophobicContact CE1-CB 3.89Å; Y249-Q281 HydrophobicContact CE1-CG 4.09Å; E277-Q281 WeakPolarHBondContact O-CG 3.31Å; E277-Q281 PolarHBondContact O-N 2.98Å; E277-Q281 PolarHBondContact OE1-NE2 2.92Å; N278-Q281 PolarHBondContact O-N 3.47Å; I279-Q281 VanDerWaalsContact C-N 3.34Å; I279-Q281 PolarHBondContact O-N 3.19Å; Q281-L283 VanDerWaalsContact C-N 3.34Å; Q281-K284 VanDerWaalsContact NE2-NZ 3.15Å; Q281-K284 WeakPolarHBondContact O-CB 3.46Å; Q281-K284 PolarHBondContact O-N 2.94Å; Q281-K284 VanDerWaalsContact OE1-NZ 3.13Å
282L95.9Very high90.3Very high2 Ų244 Ų441%0.0123%0.228CC..Hα-helixtrans-64.5-39.8172.1-68.9171.1000111.8I183 L184 L246 F251 N278 I279 F280 K284 N285I183-L282 HydrophobicContact CB-CD1 4.31Å; I183-L282 HydrophobicContact CD1-CD2 4.22Å; I183-L282 HydrophobicContact CG2-CD1 3.47Å; I183-L282 VanDerWaalsContact CG2-CD1 3.47Å; I183-L282 HydrophobicContact CG2-CD2 4.3Å; L184-L282 HydrophobicContact CD1-CB 4.27Å; L184-L282 HydrophobicContact CD2-CB 3.98Å; L184-L282 HydrophobicContact CD2-CD1 3.96Å; L184-L282 HydrophobicContact CG-CB 4.06Å; L184-L282 HydrophobicContact CG-CD1 4.21Å; L246-L282 HydrophobicContact CD2-CD2 4.15Å; F251-L282 HydrophobicContact CE2-CD1 4.41Å; F251-L282 HydrophobicContact CE2-CD2 3.87Å; F251-L282 HydrophobicContact CE2-CG 4.38Å; F251-L282 HydrophobicContact CZ-CD1 4.01Å; F251-L282 HydrophobicContact CZ-CD2 4.18Å; F251-L282 HydrophobicContact CZ-CG 4.47Å; N278-L282 PolarHBondContact O-N 3.24Å; N278-L282 VanDerWaalsContact O-N 3.15Å; I279-L282 HydrophobicContact CD1-CD1 4.43Å; I279-L282 PolarHBondContact O-N 2.95Å; F280-L282 PolarHBondContact O-N 3.14Å; L282-K284 VanDerWaalsContact C-N 3.27Å; L282-K284 PolarHBondContact O-N 2.88Å; L282-N285 WeakPolarHBondContact O-CB 3.45Å; L282-N285 PolarHBondContact O-N 3.01Å; L282-N285 VanDerWaalsContact O-N 3.14Å
283L97.6Very high92.1Very high0 Ų045.3 Ų45.30%023%0.23CC..Hα-helixtrans-67.4-24.6177.7-72.4167.5000112.8L184 I279 F280 Q281 N285 I286 R307 L310 L322L184-L283 HydrophobicContact CD1-CD2 3.7Å; L184-L283 HydrophobicContact CD1-CG 4.12Å; L184-L283 HydrophobicContact CD2-CG 4.47Å; I279-L283 HydrophobicContact CG2-CD1 3.86Å; I279-L283 HydrophobicContact CG2-CG 4.34Å; I279-L283 VanDerWaalsContact O-CG 3.31Å; I279-L283 WeakPolarHBondContact O-CG 3.33Å; I279-L283 PolarHBondContact O-N 3.49Å; F280-L283 PolarHBondContact O-N 3.37Å; Q281-L283 VanDerWaalsContact C-N 3.34Å; L283-N285 PolarHBondContact O-N 2.88Å; L283-I286 HydrophobicContact CD2-CG1 4.44Å; L283-I286 WeakPolarHBondContact O-CB 3.24Å; L283-I286 PolarHBondContact O-N 3.38Å; L283-I286 VanDerWaalsContact O-N 3.11Å; L283-R307 HydrophobicContact CB-CB 4.23Å; L283-R307 HydrophobicContact CB-CG 3.93Å; L283-R307 WeakPolarHBondContact CD1-O 3.33Å; L283-R307 PolarHBondContact O-NE 3.37Å; L283-L310 HydrophobicContact CD1-CB 3.7Å; L283-L310 HydrophobicContact CD2-CB 4.45Å; L283-L310 HydrophobicContact CD2-CD1 4.32Å; L283-L322 HydrophobicContact CD2-CD1 4.2Å
284K97Very high93.8Very high90 Ų9036.7 Ų36.739%0.39118%0.183SC..Hα-helixtrans-62-28.8170.5-76.2-178179.7161.70113.2F280 Q281 L282 I286F280-K284 HydrophobicContact CE1-CD 4.36Å; F280-K284 HydrophobicContact CE1-CG 4.41Å; F280-K284 PolarHBondContact O-N 3.39Å; Q281-K284 VanDerWaalsContact NE2-NZ 3.15Å; Q281-K284 WeakPolarHBondContact O-CB 3.46Å; Q281-K284 PolarHBondContact O-N 2.94Å; Q281-K284 VanDerWaalsContact OE1-NZ 3.13Å; L282-K284 VanDerWaalsContact C-N 3.27Å; L282-K284 PolarHBondContact O-N 2.88Å; K284-I286 VanDerWaalsContact C-N 3.29Å
285N97.7Very high94.5Very high27 Ų2732.5 Ų32.514%0.14416%0.161CC..THydrogen-bonded Turntrans-77.6-18.5176.3-60-32000112.1L176 A177 S180 L282 L283L176-N285 HydrophobicContact CG-CB 4.17Å; A177-N285 WeakPolarHBondContact CA-O 3.14Å; A177-N285 WeakPolarHBondContact CB-O 3.11Å; S180-N285 WeakPolarHBondContact OG-CB 3.35Å; S180-N285 PolarHBondContact OG-ND2 3.3Å; L282-N285 WeakPolarHBondContact O-CB 3.45Å; L282-N285 PolarHBondContact O-N 3.01Å; L282-N285 VanDerWaalsContact O-N 3.14Å; L283-N285 PolarHBondContact O-N 2.88Å
286I98.4Very high94.1Very high2 Ų234.7 Ų34.71%0.0117%0.171CC..SBendtrans-79.7137.9177.4-54.7-56.3000109.8W135 A177 L184 L283 K284 I290 R307W135-I286 HydrophobicContact CH2-CD1 4.21Å; W135-I286 HydrophobicContact CZ3-CD1 4.45Å; A177-I286 VanDerWaalsContact O-CD1 3.31Å; A177-I286 WeakPolarHBondContact O-CD1 3.3Å; L184-I286 HydrophobicContact CD1-CG1 4.17Å; L283-I286 HydrophobicContact CD2-CG1 4.44Å; L283-I286 WeakPolarHBondContact O-CB 3.24Å; L283-I286 PolarHBondContact O-N 3.38Å; L283-I286 VanDerWaalsContact O-N 3.11Å; K284-I286 VanDerWaalsContact C-N 3.29Å; I286-I290 HydrophobicContact CG2-CB 3.85Å; I286-I290 HydrophobicContact CG2-CG1 4.48Å; I286-I290 HydrophobicContact CG2-CG2 3.79Å; I286-R307 PolarHBondContact O-NH2 3.03Å
287P98.1Very high93.1Very high6 Ų638.8 Ų38.84%0.03919%0.188CC..  trans-57.7142.7-179.3-23.532.6000113.2C133 W135 H289 I290 C291C133-P287 WeakPolarHBondContact O-CB 3.43Å; C133-P287 WeakPolarHBondContact O-CG 3.42Å; W135-P287 HydrophobicContact CB-CG 4.21Å; W135-P287 HydrophobicContact CD2-CG 3.9Å; W135-P287 HydrophobicContact CE3-CG 4.28Å; W135-P287 HydrophobicContact CG-CG 3.86Å; P287-H289 PolarHBondContact O-N 3.07Å; P287-I290 HydrophobicContact CB-CG1 4.09Å; P287-I290 HydrophobicContact CG-CG1 4.3Å; P287-I290 WeakPolarHBondContact O-CB 3.29Å; P287-I290 PolarHBondContact O-N 2.87Å; P287-C291 PolarHBondContact O-N 3.23Å
288D96.1Very high91.5Very high78 Ų7842.2 Ų42.242%0.41721%0.207SC..Hα-helixtrans-54.7-48.5-171-71.8-33.3000112.9I290 C291 L292 P303 R307D288-I290 VanDerWaalsContact C-N 3.26Å; D288-I290 PolarHBondContact O-N 2.96Å; D288-C291 WeakPolarHBondContact O-CB 3.46Å; D288-C291 PolarHBondContact O-N 3.43Å; D288-C291 VanDerWaalsContact O-N 3.15Å; D288-L292 WeakPolarHBondContact O-CG 3.5Å; D288-L292 PolarHBondContact O-N 3.1Å; D288-P303 HydrophobicContact CB-CB 3.83Å; D288-P303 HydrophobicContact CB-CG 3.69Å; D288-P303 VanDerWaalsContact OD1-CB 3.23Å; D288-P303 WeakPolarHBondContact OD1-CB 3.25Å; D288-R307 IonicContact OD1-CZ 2.64Å; D288-R307 IonicContact OD1-NH1 3.91Å; D288-R307 PolarHBondContact OD1-NH1 3.03Å; D288-R307 IonicContact OD1-NH2 3.83Å; D288-R307 PolarHBondContact OD1-NH2 2.66Å
289H93.9Very high90.3Very high54 Ų5451.9 Ų51.925%0.2524%0.242CC..Hα-helixtrans-66.5-26.2-178.279-50000112.3D134 P287 L293D134-H289 VanDerWaalsContact C-CE1 3.44Å; D134-H289 PolarHBondContact O-CE1 2.82Å; D134-H289 PolarHBondContact O-ND1 3.1Å; D134-H289 PolarHBondContact O-NE2 2.92Å; P287-H289 PolarHBondContact O-N 3.07Å; H289-L293 VanDerWaalsContact O-CB 3.25Å; H289-L293 WeakPolarHBondContact O-CB 3.42Å; H289-L293 WeakPolarHBondContact O-CD1 2.93Å; H289-L293 WeakPolarHBondContact O-CG 3.33Å; H289-L293 PolarHBondContact O-N 3.42Å
290I97.1Very high89Confident0 Ų054.1 Ų54.10%026%0.255CS..Hα-helixtrans-66.6-46.6173.2-58.3-55.8000109.7W135 I286 P287 D288 L293 S294 L322 T325 L326 I329W135-I290 HydrophobicContact CB-CD1 4.2Å; W135-I290 HydrophobicContact CB-CG1 4.35Å; W135-I290 HydrophobicContact CE3-CG1 4.04Å; I286-I290 HydrophobicContact CG2-CB 3.85Å; I286-I290 HydrophobicContact CG2-CG1 4.48Å; I286-I290 HydrophobicContact CG2-CG2 3.79Å; P287-I290 HydrophobicContact CB-CG1 4.09Å; P287-I290 HydrophobicContact CG-CG1 4.3Å; P287-I290 WeakPolarHBondContact O-CB 3.29Å; P287-I290 PolarHBondContact O-N 2.87Å; D288-I290 VanDerWaalsContact C-N 3.26Å; D288-I290 PolarHBondContact O-N 2.96Å; I290-L293 PolarHBondContact O-N 3.32Å; I290-S294 VanDerWaalsContact O-CB 3.31Å; I290-S294 WeakPolarHBondContact O-CB 3.49Å; I290-S294 PolarHBondContact O-N 3.12Å; I290-S294 PolarHBondContact O-OG 3.49Å; I290-L322 HydrophobicContact CG2-CD2 4.13Å; I290-T325 HydrophobicContact CD1-CG2 4.28Å; I290-T325 HydrophobicContact CG2-CG2 4.15Å; I290-L326 HydrophobicContact CD1-CD2 3.7Å; I290-L326 HydrophobicContact CG1-CD2 4.18Å; I290-L326 HydrophobicContact CG2-CD2 3.73Å; I290-I329 HydrophobicContact CD1-CD1 3.32Å
291C96.4Very high88.4Confident0 Ų060.4 Ų60.40%028%0.284CS..Hα-helixtrans-60.4-48.6177.1-68.40000110.3P287 D288 L293 S294 V295 A306 R307 L310P287-C291 PolarHBondContact O-N 3.23Å; D288-C291 WeakPolarHBondContact O-CB 3.46Å; D288-C291 PolarHBondContact O-N 3.43Å; D288-C291 VanDerWaalsContact O-N 3.15Å; C291-L293 PolarHBondContact O-N 3.36Å; C291-S294 PolarHBondContact O-N 3.11Å; C291-V295 PolarHBondContact O-N 3.02Å; C291-A306 HydrophobicContact CB-CB 4.36Å; C291-R307 HydrophobicContact CB-CG 4.21Å; C291-L310 HydrophobicContact CB-CD1 4.07Å
292L95.1Very high88.3Confident47 Ų4762 Ų6225%0.24629%0.294CS..Hα-helixtrans-58.1-50.5178.1-67170.1000112.3D288 S294 V295 N300 P303 A306D288-L292 WeakPolarHBondContact O-CG 3.5Å; D288-L292 PolarHBondContact O-N 3.1Å; L292-S294 PolarHBondContact O-N 3.04Å; L292-V295 PolarHBondContact O-N 2.76Å; L292-N300 VanDerWaalsContact CD2-O 3.31Å; L292-N300 WeakPolarHBondContact CD2-O 3.14Å; L292-P303 HydrophobicContact CD1-CG 4.28Å; L292-A306 HydrophobicContact CD2-CB 3.98Å
293L94.4Very high88.2Confident96 Ų9663.3 Ų63.350%0.50330%0.302SS..Hα-helixtrans-63.5-27.2179.6-72.4171.5000113H289 I290 C291 T325H289-L293 VanDerWaalsContact O-CB 3.25Å; H289-L293 WeakPolarHBondContact O-CB 3.42Å; H289-L293 WeakPolarHBondContact O-CD1 2.93Å; H289-L293 WeakPolarHBondContact O-CG 3.33Å; H289-L293 PolarHBondContact O-N 3.42Å; I290-L293 PolarHBondContact O-N 3.32Å; C291-L293 PolarHBondContact O-N 3.36Å; L293-T325 HydrophobicContact CB-CG2 3.69Å; L293-T325 HydrophobicContact CD1-CG2 4.28Å
294S95.8Very high88.1Confident0 Ų066.9 Ų66.90%032%0.321CS..Hα-helixtrans-78-21-178.6-59.20000113.6I290 C291 L292 R321 T325I290-S294 VanDerWaalsContact O-CB 3.31Å; I290-S294 WeakPolarHBondContact O-CB 3.49Å; I290-S294 PolarHBondContact O-N 3.12Å; I290-S294 PolarHBondContact O-OG 3.49Å; C291-S294 PolarHBondContact O-N 3.11Å; L292-S294 PolarHBondContact O-N 3.04Å; S294-R321 WeakPolarHBondContact O-CB 3.32Å; S294-R321 WeakPolarHBondContact O-CD 3.44Å; S294-R321 PolarHBondContact O-NH1 3.2Å; S294-T325 WeakPolarHBondContact CA-OG1 3.39Å; S294-T325 WeakPolarHBondContact OG-CB 3.42Å; S294-T325 PolarHBondContact OG-OG1 3.31Å
295V93.2Very high88Confident1 Ų166.7 Ų66.71%0.00633%0.325CS..Hα-helixtrans-77.1-24.7176.8-178.30000111.7C291 L292 E297 A306 F309 L310 R321C291-V295 PolarHBondContact O-N 3.02Å; L292-V295 PolarHBondContact O-N 2.76Å; V295-E297 HydrophobicContact CG1-CB 4.09Å; V295-E297 HydrophobicContact CG1-CG 4.16Å; V295-E297 PolarHBondContact O-N 2.89Å; V295-A306 HydrophobicContact CG2-CB 3.69Å; V295-F309 HydrophobicContact CB-CD1 4.25Å; V295-F309 HydrophobicContact CG1-CD1 3.69Å; V295-F309 HydrophobicContact CG1-CD2 4.49Å; V295-F309 HydrophobicContact CG1-CE1 3.87Å; V295-F309 HydrophobicContact CG1-CG 4.01Å; V295-F309 HydrophobicContact CG1-CZ 4.36Å; V295-F309 HydrophobicContact CG2-CB 4.4Å; V295-F309 HydrophobicContact CG2-CD1 3.77Å; V295-F309 HydrophobicContact CG2-CE1 4.44Å; V295-F309 HydrophobicContact CG2-CG 4.36Å; V295-L310 HydrophobicContact CG2-CD1 4.41Å; V295-L310 HydrophobicContact CG2-CD2 4.38Å; V295-L310 HydrophobicContact CG2-CG 4.04Å; V295-R321 PolarHBondContact O-NH1 3.12Å
296Q77Confident87.8Confident134 Ų13465.4 Ų65.463%0.62632%0.318SS*.  trans60.91.3-180-56.2178.8-12.600115.3
297E69.1Low87.7Confident108 Ų10865.9 Ų65.951%0.50532%0.319SS..  trans-93.5117.1176.8-65.1-175.6170.600110.3V295 R299 N300V295-E297 HydrophobicContact CG1-CB 4.09Å; V295-E297 HydrophobicContact CG1-CG 4.16Å; V295-E297 PolarHBondContact O-N 2.89Å; E297-R299 PolarHBondContact O-N 3.06Å; E297-N300 PolarHBondContact O-N 3.48Å
298I57.5Low87.6Confident162 Ų16268.6 Ų68.683%0.83134%0.336SS*.THydrogen-bonded Turntrans-57.9-16.9-173.2-60.8168.4000112.9H301I298-H301 PolarHBondContact O-CE1 3.3Å
299R63.8Low87.5Confident222 Ų22267.8 Ų67.884%0.83833%0.329SS*.THydrogen-bonded Turntrans-90-20.4-173.5-67.1-172.5-179.5-1720.7114.7E297 H301E297-R299 PolarHBondContact O-N 3.06Å; R299-H301 PolarHBondContact O-N 3.04Å; R299-H301 VanDerWaalsContact O-N 3.16Å; R299-H301 PolarHBondContact O-ND1 3.48Å
300N67.1Low87.6Confident48 Ų4865.2 Ų65.226%0.25732%0.317SS..  trans-81.9104.5-176.8-69.4-22.3000110L292 E297L292-N300 VanDerWaalsContact CD2-O 3.31Å; L292-N300 WeakPolarHBondContact CD2-O 3.14Å; E297-N300 PolarHBondContact O-N 3.48Å
301H81.7Confident87.5Confident157 Ų15765.6 Ų65.673%0.72732%0.319SS*.  trans-99.6-13.1173.4-6771.1000112.1I298 R299 P303I298-H301 PolarHBondContact O-CE1 3.3Å; R299-H301 PolarHBondContact O-N 3.04Å; R299-H301 VanDerWaalsContact O-N 3.16Å; R299-H301 PolarHBondContact O-ND1 3.48Å; H301-P303 WeakPolarHBondContact O-CD 3.09Å
302N91.8Very high87.4Confident68 Ų6870.7 Ų70.736%0.36435%0.347SS..  trans-91.3119.6179.2-174.5-21.9000110.3N304 D305 A306N302-N304 VanDerWaalsContact C-N 3.26Å; N302-N304 PolarHBondContact O-N 2.91Å; N302-N304 WeakPolarHBondContact OD1-CB 3.48Å; N302-N304 PolarHBondContact OD1-N 3.48Å; N302-D305 HydrophobicContact CB-CB 4.2Å; N302-D305 VanDerWaalsContact CB-OD2 3.3Å; N302-D305 WeakPolarHBondContact CB-OD2 3.45Å; N302-D305 PolarHBondContact O-N 3.39Å; N302-A306 PolarHBondContact O-N 2.69Å
303P94.1Very high87.4Confident29 Ų2970.3 Ų70.319%0.18835%0.345CS..Hα-helixtrans-59.9-32.8178-25.835.8000113.9D288 L292 H301 A306 R307D288-P303 HydrophobicContact CB-CB 3.83Å; D288-P303 HydrophobicContact CB-CG 3.69Å; D288-P303 VanDerWaalsContact OD1-CB 3.23Å; D288-P303 WeakPolarHBondContact OD1-CB 3.25Å; L292-P303 HydrophobicContact CD1-CG 4.28Å; H301-P303 WeakPolarHBondContact O-CD 3.09Å; P303-A306 PolarHBondContact O-N 3.47Å; P303-R307 VanDerWaalsContact CB-NH1 3.32Å; P303-R307 VanDerWaalsContact O-CG 3.26Å; P303-R307 WeakPolarHBondContact O-CG 3.37Å; P303-R307 PolarHBondContact O-N 3.34Å
304N95Very high87.5Confident76 Ų7668.3 Ų68.341%0.40634%0.339SS..Hα-helixtrans-70.6-39.5179.9-71.5-24.5000111.9F280 N302 A306 R307 T308F280-N304 HydrophobicContact CZ-CB 4.44Å; N302-N304 VanDerWaalsContact C-N 3.26Å; N302-N304 PolarHBondContact O-N 2.91Å; N302-N304 WeakPolarHBondContact OD1-CB 3.48Å; N302-N304 PolarHBondContact OD1-N 3.48Å; N304-A306 VanDerWaalsContact C-N 3.28Å; N304-A306 PolarHBondContact O-N 3.16Å; N304-R307 WeakPolarHBondContact O-CB 3.34Å; N304-R307 PolarHBondContact O-N 3.4Å; N304-R307 VanDerWaalsContact O-N 3.13Å; N304-R307 PolarHBondContact OD1-NH1 3.37Å; N304-T308 PolarHBondContact O-N 2.84Å; N304-T308 PolarHBondContact O-OG1 3.21Å
305D93.9Very high87.4Confident86 Ų8670.5 Ų70.546%0.4635%0.349SS..Hα-helixtrans-62.8-40.3175.2-60.9-17.7000110.5N302 R307 T308 F309N302-D305 HydrophobicContact CB-CB 4.2Å; N302-D305 VanDerWaalsContact CB-OD2 3.3Å; N302-D305 WeakPolarHBondContact CB-OD2 3.45Å; N302-D305 PolarHBondContact O-N 3.39Å; D305-R307 VanDerWaalsContact C-N 3.34Å; D305-R307 PolarHBondContact O-N 3.25Å; D305-T308 PolarHBondContact O-N 3.2Å; D305-F309 WeakPolarHBondContact O-CB 3.49Å; D305-F309 PolarHBondContact O-N 2.89Å
306A95.4Very high87.5Confident0 Ų073.5 Ų73.50%037%0.367CS..Hα-helixtrans-62.7-40.2174.200000112.5C291 L292 V295 N302 P303 N304 F309 L310C291-A306 HydrophobicContact CB-CB 4.36Å; L292-A306 HydrophobicContact CD2-CB 3.98Å; V295-A306 HydrophobicContact CG2-CB 3.69Å; N302-A306 PolarHBondContact O-N 2.69Å; P303-A306 PolarHBondContact O-N 3.47Å; N304-A306 VanDerWaalsContact C-N 3.28Å; N304-A306 PolarHBondContact O-N 3.16Å; A306-F309 PolarHBondContact O-N 3.24Å; A306-L310 WeakPolarHBondContact O-CB 3.04Å; A306-L310 VanDerWaalsContact O-CG 3.23Å; A306-L310 WeakPolarHBondContact O-CG 3.43Å; A306-L310 PolarHBondContact O-N 3.14Å
307R96.2Very high88.5Confident12 Ų1270.6 Ų70.65%0.04536%0.356CS..Hα-helixtrans-65.8-42174.9-70.4177.7178.1104.73.9112.1F280 L283 I286 D288 C291 P303 N304 D305 F309 L310 S311F280-R307 HydrophobicContact CD2-CB 3.6Å; F280-R307 HydrophobicContact CE2-CB 3.4Å; F280-R307 HydrophobicContact CZ-CB 4.34Å; L283-R307 HydrophobicContact CB-CB 4.23Å; L283-R307 HydrophobicContact CB-CG 3.93Å; L283-R307 WeakPolarHBondContact CD1-O 3.33Å; L283-R307 PolarHBondContact O-NE 3.37Å; I286-R307 PolarHBondContact O-NH2 3.03Å; D288-R307 IonicContact OD1-CZ 2.64Å; D288-R307 IonicContact OD1-NH1 3.91Å; D288-R307 PolarHBondContact OD1-NH1 3.03Å; D288-R307 IonicContact OD1-NH2 3.83Å; D288-R307 PolarHBondContact OD1-NH2 2.66Å; C291-R307 HydrophobicContact CB-CG 4.21Å; P303-R307 VanDerWaalsContact CB-NH1 3.32Å; P303-R307 VanDerWaalsContact O-CG 3.26Å; P303-R307 WeakPolarHBondContact O-CG 3.37Å; P303-R307 PolarHBondContact O-N 3.34Å; N304-R307 WeakPolarHBondContact O-CB 3.34Å; N304-R307 PolarHBondContact O-N 3.4Å; N304-R307 VanDerWaalsContact O-N 3.13Å; N304-R307 PolarHBondContact OD1-NH1 3.37Å; D305-R307 VanDerWaalsContact C-N 3.34Å; D305-R307 PolarHBondContact O-N 3.25Å; R307-F309 VanDerWaalsContact C-N 3.34Å; R307-L310 PolarHBondContact O-N 3.31Å; R307-S311 WeakPolarHBondContact O-CB 3.45Å; R307-S311 PolarHBondContact O-N 3.3Å; R307-S311 PolarHBondContact O-OG 2.93Å
308T95.1Very high89.8Confident62 Ų6265.6 Ų65.638%0.3833%0.332SS..Hα-helixtrans-63.1-41.6176.7-61.60000111.1F280 N304 D305 S311 N312F280-T308 VanDerWaalsContact CE2-OG1 3.3Å; F280-T308 WeakPolarHBondContact CE2-OG1 3.21Å; N304-T308 PolarHBondContact O-N 2.84Å; N304-T308 PolarHBondContact O-OG1 3.21Å; D305-T308 PolarHBondContact O-N 3.2Å; T308-S311 WeakPolarHBondContact CA-OG 3.5Å; T308-S311 PolarHBondContact O-N 3.48Å; T308-S311 PolarHBondContact O-OG 3.31Å; T308-N312 VanDerWaalsContact O-CG 3.28Å; T308-N312 PolarHBondContact O-N 2.86Å; T308-N312 PolarHBondContact O-ND2 3.46Å
309F94.6Very high91.7Very high61 Ų6158.5 Ų58.527%0.26830%0.296SS..Hα-helixtrans-59.4-52.9172.7179-89.5000110.9V295 D305 A306 R307 S311 N312 L313V295-F309 HydrophobicContact CB-CD1 4.25Å; V295-F309 HydrophobicContact CG1-CD1 3.69Å; V295-F309 HydrophobicContact CG1-CD2 4.49Å; V295-F309 HydrophobicContact CG1-CE1 3.87Å; V295-F309 HydrophobicContact CG1-CG 4.01Å; V295-F309 HydrophobicContact CG1-CZ 4.36Å; V295-F309 HydrophobicContact CG2-CB 4.4Å; V295-F309 HydrophobicContact CG2-CD1 3.77Å; V295-F309 HydrophobicContact CG2-CE1 4.44Å; V295-F309 HydrophobicContact CG2-CG 4.36Å; D305-F309 WeakPolarHBondContact O-CB 3.49Å; D305-F309 PolarHBondContact O-N 2.89Å; A306-F309 PolarHBondContact O-N 3.24Å; R307-F309 VanDerWaalsContact C-N 3.34Å; F309-S311 VanDerWaalsContact C-N 3.3Å; F309-S311 PolarHBondContact O-N 2.91Å; F309-N312 PolarHBondContact O-N 2.96Å; F309-L313 HydrophobicContact CD1-CD1 4.2Å; F309-L313 HydrophobicContact CD1-CG 4.35Å; F309-L313 HydrophobicContact CE1-CD1 3.77Å; F309-L313 HydrophobicContact CE1-CD2 4.11Å; F309-L313 HydrophobicContact CE1-CG 4.08Å; F309-L313 HydrophobicContact CZ-CD2 4.15Å; F309-L313 PolarHBondContact O-N 2.97Å
310L95.8Very high93.2Very high0 Ų053 Ų530%028%0.28CS..Hα-helixtrans-62.1-34.8-179.4-71.3170.1000112.7L283 C291 V295 A306 R307 N312 L313 R318 L322L283-L310 HydrophobicContact CD1-CB 3.7Å; L283-L310 HydrophobicContact CD2-CB 4.45Å; L283-L310 HydrophobicContact CD2-CD1 4.32Å; C291-L310 HydrophobicContact CB-CD1 4.07Å; V295-L310 HydrophobicContact CG2-CD1 4.41Å; V295-L310 HydrophobicContact CG2-CD2 4.38Å; V295-L310 HydrophobicContact CG2-CG 4.04Å; A306-L310 WeakPolarHBondContact O-CB 3.04Å; A306-L310 VanDerWaalsContact O-CG 3.23Å; A306-L310 WeakPolarHBondContact O-CG 3.43Å; A306-L310 PolarHBondContact O-N 3.14Å; R307-L310 PolarHBondContact O-N 3.31Å; L310-N312 VanDerWaalsContact C-N 3.32Å; L310-L313 HydrophobicContact CD2-CD1 4.2Å; L310-L313 PolarHBondContact O-N 3.13Å; L310-R318 VanDerWaalsContact O-CD 3.32Å; L310-R318 WeakPolarHBondContact O-CD 3.32Å; L310-L322 HydrophobicContact CD1-CD2 4.37Å
311S95.4Very high94.7Very high8 Ų853.9 Ų53.96%0.05628%0.28CS..Hα-helixtrans-71.6-26.2179.263.20000113.5S276 R307 T308 F309S276-S311 WeakPolarHBondContact CB-O 3.41Å; S276-S311 VanDerWaalsContact O-CB 3.3Å; S276-S311 WeakPolarHBondContact O-CB 3.5Å; R307-S311 WeakPolarHBondContact O-CB 3.45Å; R307-S311 PolarHBondContact O-N 3.3Å; R307-S311 PolarHBondContact O-OG 2.93Å; T308-S311 WeakPolarHBondContact CA-OG 3.5Å; T308-S311 PolarHBondContact O-N 3.48Å; T308-S311 PolarHBondContact O-OG 3.31Å; F309-S311 VanDerWaalsContact C-N 3.3Å; F309-S311 PolarHBondContact O-N 2.91Å
312N94.4Very high95.4Very high108 Ų10846.4 Ų46.458%0.57825%0.245SC*.Hα-helixtrans-89-9.8178.8-68.2-20.3000113.3S276 T308 F309 L310S276-N312 WeakPolarHBondContact CB-OD1 3.43Å; T308-N312 VanDerWaalsContact O-CG 3.28Å; T308-N312 PolarHBondContact O-N 2.86Å; T308-N312 PolarHBondContact O-ND2 3.46Å; F309-N312 PolarHBondContact O-N 2.96Å; L310-N312 VanDerWaalsContact C-N 3.32Å
313L94.7Very high95.7Very high39 Ų3947.3 Ų47.320%0.20425%0.247CC..SBendtrans-70.7157.4173.1-70.9-178.2000112F309 L310 D317 R318F309-L313 HydrophobicContact CD1-CD1 4.2Å; F309-L313 HydrophobicContact CD1-CG 4.35Å; F309-L313 HydrophobicContact CE1-CD1 3.77Å; F309-L313 HydrophobicContact CE1-CD2 4.11Å; F309-L313 HydrophobicContact CE1-CG 4.08Å; F309-L313 HydrophobicContact CZ-CD2 4.15Å; F309-L313 PolarHBondContact O-N 2.97Å; L310-L313 HydrophobicContact CD2-CD1 4.2Å; L310-L313 PolarHBondContact O-N 3.13Å; L313-D317 HydrophobicContact CB-CB 4.41Å; L313-D317 HydrophobicContact CD1-CB 4.31Å; L313-R318 HydrophobicContact CB-CB 4.17Å
314S95.1Very high95.9Very high53 Ų5349.2 Ų49.237%0.37126%0.256SS..  trans-56149.2164.8860000110.4T316 D317 R318S314-T316 PolarHBondContact O-N 3.42Å; S314-T316 VanDerWaalsContact O-N 3.15Å; S314-T316 PolarHBondContact OG-N 3.4Å; S314-D317 PolarHBondContact O-N 2.87Å; S314-D317 VanDerWaalsContact OG-CG 3.22Å; S314-D317 PolarHBondContact OG-N 3.45Å; S314-D317 VanDerWaalsContact OG-N 3.15Å; S314-D317 PolarHBondContact OG-OD2 2.64Å; S314-R318 WeakPolarHBondContact O-CB 3.3Å; S314-R318 PolarHBondContact O-N 3.47Å
315H94.5Very high96Very high46 Ų4646.1 Ų46.121%0.21324%0.24CC..Hα-helixtrans-57.2-32.1177.467.6-89.2000112.2K189 N319K189-H315 WeakPolarHBondContact CE-NE2 3.16Å; K189-H315 PolarHBondContact NZ-NE2 3.01Å; H315-N319 WeakPolarHBondContact O-CB 3.49Å; H315-N319 PolarHBondContact O-N 3.31Å; H315-N319 VanDerWaalsContact O-N 3.08Å; H315-N319 PolarHBondContact O-ND2 3.3Å; H315-N319 PolarHBondContact O-OD1 2.94Å
316T96.4Very high96.1Very high64 Ų6442.2 Ų42.239%0.39322%0.219SC..Hα-helixtrans-70.6-47.9180-59.40000111S314 N319 Q320S314-T316 PolarHBondContact O-N 3.42Å; S314-T316 VanDerWaalsContact O-N 3.15Å; S314-T316 PolarHBondContact OG-N 3.4Å; T316-N319 PolarHBondContact O-N 3.21Å; T316-Q320 WeakPolarHBondContact O-CB 3.23Å; T316-Q320 PolarHBondContact O-N 2.84Å
317D96.2Very high96.2Very high74 Ų7446.6 Ų46.640%0.39624%0.236SC..Hα-helixtrans-67.2-43.1-179.3-61-46.2000111.9L313 S314 N319 Q320 R321L313-D317 HydrophobicContact CB-CB 4.41Å; L313-D317 HydrophobicContact CD1-CB 4.31Å; S314-D317 PolarHBondContact O-N 2.87Å; S314-D317 VanDerWaalsContact OG-CG 3.22Å; S314-D317 PolarHBondContact OG-N 3.45Å; S314-D317 VanDerWaalsContact OG-N 3.15Å; S314-D317 PolarHBondContact OG-OD2 2.64Å; D317-N319 VanDerWaalsContact C-N 3.32Å; D317-N319 PolarHBondContact O-N 3.22Å; D317-Q320 PolarHBondContact O-N 3.31Å; D317-R321 WeakPolarHBondContact O-CB 3.37Å; D317-R321 VanDerWaalsContact O-CG 3.3Å; D317-R321 WeakPolarHBondContact O-CG 3.47Å; D317-R321 PolarHBondContact O-N 3.11Å
318R96.4Very high96.2Very high2 Ų250.6 Ų50.61%0.00826%0.258CS..Hα-helixtrans-57.1-48.6175179.5-177.862.2-130.36.5110.7L310 L313 S314 R321 L322L310-R318 VanDerWaalsContact O-CD 3.32Å; L310-R318 WeakPolarHBondContact O-CD 3.32Å; L313-R318 HydrophobicContact CB-CB 4.17Å; S314-R318 WeakPolarHBondContact O-CB 3.3Å; S314-R318 PolarHBondContact O-N 3.47Å; R318-R321 PolarHBondContact O-N 3.36Å; R318-L322 HydrophobicContact CG-CD1 4Å; R318-L322 WeakPolarHBondContact O-CG 3.48Å; R318-L322 PolarHBondContact O-N 3.15Å
319N97.5Very high96.3Very high14 Ų1448.7 Ų48.78%0.07525%0.246CC..Hα-helixtrans-65.4-46-176.6-71.60.9000111L184 Q185 H315 T316 D317 R321 L322 Q323L184-N319 PolarHBondContact O-ND2 2.81Å; L184-N319 VanDerWaalsContact O-ND2 3.07Å; L184-N319 PolarHBondContact O-OD1 3.21Å; Q185-N319 VanDerWaalsContact CA-ND2 3.35Å; Q185-N319 WeakPolarHBondContact CA-ND2 3.26Å; Q185-N319 PolarHBondContact O-ND2 3.45Å; Q185-N319 VanDerWaalsContact O-ND2 3.08Å; Q185-N319 VanDerWaalsContact OE1-CB 3.28Å; H315-N319 WeakPolarHBondContact O-CB 3.49Å; H315-N319 PolarHBondContact O-N 3.31Å; H315-N319 VanDerWaalsContact O-N 3.08Å; H315-N319 PolarHBondContact O-ND2 3.3Å; H315-N319 PolarHBondContact O-OD1 2.94Å; T316-N319 PolarHBondContact O-N 3.21Å; D317-N319 VanDerWaalsContact C-N 3.32Å; D317-N319 PolarHBondContact O-N 3.22Å; N319-R321 PolarHBondContact O-N 3.18Å; N319-L322 PolarHBondContact O-N 3.14Å; N319-Q323 VanDerWaalsContact O-CB 3.25Å; N319-Q323 WeakPolarHBondContact O-CB 3.44Å; N319-Q323 WeakPolarHBondContact O-CG 3.23Å; N319-Q323 PolarHBondContact O-N 3.34Å
320Q97.2Very high96.4Very high106 Ų10646 Ų4650%0.49524%0.235SC..Hα-helixtrans-60.3-43177.3-175.3175.8-1.500112.2T316 D317 Q323 N324T316-Q320 WeakPolarHBondContact O-CB 3.23Å; T316-Q320 PolarHBondContact O-N 2.84Å; D317-Q320 PolarHBondContact O-N 3.31Å; Q320-Q323 PolarHBondContact O-N 3.39Å; Q320-N324 VanDerWaalsContact O-CB 3.29Å; Q320-N324 WeakPolarHBondContact O-CB 3.31Å; Q320-N324 PolarHBondContact O-N 2.98Å; Q320-N324 PolarHBondContact O-ND2 2.9Å
321R96.9Very high96.4Very high66 Ų6650.4 Ų50.425%0.24925%0.254CS..Hα-helixtrans-62.9-50.4178.1-76.1171.9178.2-932.9112.1S294 V295 D317 R318 N319 Q323 N324 T325S294-R321 WeakPolarHBondContact O-CB 3.32Å; S294-R321 WeakPolarHBondContact O-CD 3.44Å; S294-R321 PolarHBondContact O-NH1 3.2Å; V295-R321 PolarHBondContact O-NH1 3.12Å; D317-R321 WeakPolarHBondContact O-CB 3.37Å; D317-R321 VanDerWaalsContact O-CG 3.3Å; D317-R321 WeakPolarHBondContact O-CG 3.47Å; D317-R321 PolarHBondContact O-N 3.11Å; R318-R321 PolarHBondContact O-N 3.36Å; N319-R321 PolarHBondContact O-N 3.18Å; R321-Q323 PolarHBondContact O-N 3.37Å; R321-N324 PolarHBondContact O-N 2.95Å; R321-T325 PolarHBondContact O-N 3.34Å; R321-T325 PolarHBondContact O-OG1 2.98Å; R321-T325 VanDerWaalsContact O-OG1 3.11Å
322L97.8Very high96.3Very high0 Ų056.5 Ų56.50%028%0.279CS..Hα-helixtrans-60.6-45.9177-71.2169.9000111.2Y181 L184 L283 I290 L310 R318 N319 N324 T325 L326Y181-L322 HydrophobicContact CE2-CB 4.03Å; L184-L322 HydrophobicContact CD1-CD1 4.28Å; L283-L322 HydrophobicContact CD2-CD1 4.2Å; I290-L322 HydrophobicContact CG2-CD2 4.13Å; L310-L322 HydrophobicContact CD1-CD2 4.37Å; R318-L322 HydrophobicContact CG-CD1 4Å; R318-L322 WeakPolarHBondContact O-CG 3.48Å; R318-L322 PolarHBondContact O-N 3.15Å; N319-L322 PolarHBondContact O-N 3.14Å; L322-N324 PolarHBondContact O-N 3.45Å; L322-T325 PolarHBondContact O-N 3.44Å; L322-L326 WeakPolarHBondContact O-CG 3.44Å; L322-L326 PolarHBondContact O-N 3.48Å
323Q97.7Very high96.3Very high87 Ų8751.5 Ų51.541%0.40725%0.253SS..Hα-helixtrans-59.5-45.4177.8-76.9176.71.600112.1Y181 Q185 N319 Q320 R321 T325 L326 Y327Y181-Q323 WeakPolarHBondContact OH-CG 3.4Å; Q185-Q323 VanDerWaalsContact OE1-CD 3.3Å; Q185-Q323 VanDerWaalsContact OE1-CG 3.29Å; N319-Q323 VanDerWaalsContact O-CB 3.25Å; N319-Q323 WeakPolarHBondContact O-CB 3.44Å; N319-Q323 WeakPolarHBondContact O-CG 3.23Å; N319-Q323 PolarHBondContact O-N 3.34Å; Q320-Q323 PolarHBondContact O-N 3.39Å; R321-Q323 PolarHBondContact O-N 3.37Å; Q323-T325 VanDerWaalsContact C-N 3.34Å; Q323-T325 PolarHBondContact O-N 3.42Å; Q323-L326 PolarHBondContact O-N 2.92Å; Q323-Y327 VanDerWaalsContact O-CB 3.23Å; Q323-Y327 WeakPolarHBondContact O-CB 3.45Å; Q323-Y327 PolarHBondContact O-N 3.41Å
324N97Very high96.2Very high69 Ų6949.8 Ų49.837%0.36924%0.244SC..Hα-helixtrans-62.4-41.5178.7-75.2-19.6000111.7Q320 R321 L322 Y327 N328Q320-N324 VanDerWaalsContact O-CB 3.29Å; Q320-N324 WeakPolarHBondContact O-CB 3.31Å; Q320-N324 PolarHBondContact O-N 2.98Å; Q320-N324 PolarHBondContact O-ND2 2.9Å; R321-N324 PolarHBondContact O-N 2.95Å; L322-N324 PolarHBondContact O-N 3.45Å; N324-Y327 PolarHBondContact O-N 3.41Å; N324-N328 PolarHBondContact O-N 3.49Å; N324-N328 VanDerWaalsContact O-N 3.09Å; N324-N328 PolarHBondContact O-ND2 3.07Å; N324-N328 VanDerWaalsContact O-ND2 3.12Å
325T97.1Very high96Very high12 Ų1250.3 Ų50.37%0.07424%0.242CC..Hα-helixtrans-59.6-51.8174.9-610000111I290 L293 S294 R321 L322 Q323 Y327 N328 I329I290-T325 HydrophobicContact CD1-CG2 4.28Å; I290-T325 HydrophobicContact CG2-CG2 4.15Å; L293-T325 HydrophobicContact CB-CG2 3.69Å; L293-T325 HydrophobicContact CD1-CG2 4.28Å; S294-T325 WeakPolarHBondContact CA-OG1 3.39Å; S294-T325 WeakPolarHBondContact OG-CB 3.42Å; S294-T325 PolarHBondContact OG-OG1 3.31Å; R321-T325 PolarHBondContact O-N 3.34Å; R321-T325 PolarHBondContact O-OG1 2.98Å; R321-T325 VanDerWaalsContact O-OG1 3.11Å; L322-T325 PolarHBondContact O-N 3.44Å; Q323-T325 VanDerWaalsContact C-N 3.34Å; Q323-T325 PolarHBondContact O-N 3.42Å; T325-Y327 PolarHBondContact O-N 3.03Å; T325-N328 PolarHBondContact O-N 2.93Å; T325-I329 HydrophobicContact CG2-CD1 4.18Å; T325-I329 WeakPolarHBondContact O-CG1 3.47Å; T325-I329 PolarHBondContact O-N 3.36Å
326L98Very high95.9Very high4 Ų450 Ų502%0.02124%0.24CC..Hα-helixtrans-65.1-41.5-179.6-59.4-160.4000111.9W135 L138 Y181 I205 I290 L322 Q323 N328 I329 V330W135-L326 HydrophobicContact CE3-CD1 4.25Å; W135-L326 HydrophobicContact CE3-CD2 3.91Å; W135-L326 HydrophobicContact CZ3-CD1 3.89Å; W135-L326 HydrophobicContact CZ3-CD2 4.22Å; L138-L326 HydrophobicContact CD1-CB 4.21Å; L138-L326 HydrophobicContact CD1-CD1 4.33Å; L138-L326 HydrophobicContact CD1-CD2 4.01Å; L138-L326 HydrophobicContact CD1-CG 4.4Å; Y181-L326 HydrophobicContact CD2-CD1 3.88Å; Y181-L326 HydrophobicContact CE1-CD1 4.23Å; Y181-L326 HydrophobicContact CE2-CD1 3.39Å; Y181-L326 HydrophobicContact CE2-CG 4.13Å; Y181-L326 HydrophobicContact CG-CD1 4.47Å; I205-L326 HydrophobicContact CG2-CD1 3.95Å; I290-L326 HydrophobicContact CD1-CD2 3.7Å; I290-L326 HydrophobicContact CG1-CD2 4.18Å; I290-L326 HydrophobicContact CG2-CD2 3.73Å; L322-L326 WeakPolarHBondContact O-CG 3.44Å; L322-L326 PolarHBondContact O-N 3.48Å; Q323-L326 PolarHBondContact O-N 2.92Å; L326-N328 VanDerWaalsContact C-N 3.3Å; L326-N328 PolarHBondContact O-N 2.74Å; L326-I329 PolarHBondContact O-N 2.98Å; L326-V330 VanDerWaalsContact O-CG2 3.3Å; L326-V330 WeakPolarHBondContact O-CG2 3.41Å; L326-V330 PolarHBondContact O-N 3.09Å
327Y97.2Very high95.6Very high91 Ų9147.1 Ų47.136%0.35722%0.223SC..Hα-helixtrans-54.5-46.5176.5176.2-83.4000111.4G209 Q323 N324 T325 V330 K331G209-Y327 VanDerWaalsContact CA-CE2 3.4Å; Q323-Y327 VanDerWaalsContact O-CB 3.23Å; Q323-Y327 WeakPolarHBondContact O-CB 3.45Å; Q323-Y327 PolarHBondContact O-N 3.41Å; N324-Y327 PolarHBondContact O-N 3.41Å; T325-Y327 PolarHBondContact O-N 3.03Å; Y327-V330 PolarHBondContact O-N 3Å; Y327-K331 HydrophobicContact CE1-CB 4.48Å; Y327-K331 HydrophobicContact CE1-CD 3.78Å; Y327-K331 WeakPolarHBondContact O-CB 3.45Å; Y327-K331 PolarHBondContact O-N 3.29Å
328N96.2Very high95.2Very high96 Ų9645.1 Ų45.151%0.51321%0.213SC..Hα-helixtrans-66.9-40.5-179.1-74.4-33.5000112.4N324 T325 L326 K332N324-N328 PolarHBondContact O-N 3.49Å; N324-N328 VanDerWaalsContact O-N 3.09Å; N324-N328 PolarHBondContact O-ND2 3.07Å; N324-N328 VanDerWaalsContact O-ND2 3.12Å; T325-N328 PolarHBondContact O-N 2.93Å; L326-N328 VanDerWaalsContact C-N 3.3Å; L326-N328 PolarHBondContact O-N 2.74Å; N328-K332 WeakPolarHBondContact O-CB 3.48Å; N328-K332 PolarHBondContact O-N 3.36Å
329I96.6Very high94.8Very high23 Ų2353.1 Ų53.112%0.11824%0.243CC..Hα-helixtrans-60.9-52.1175.2-70.4170.4000110.3W135 L138 I290 T325 L326 K331 K332 S333W135-I329 WeakPolarHBondContact O-CG2 3.33Å; L138-I329 HydrophobicContact CD1-CG2 4.4Å; I290-I329 HydrophobicContact CD1-CD1 3.32Å; T325-I329 HydrophobicContact CG2-CD1 4.18Å; T325-I329 WeakPolarHBondContact O-CG1 3.47Å; T325-I329 PolarHBondContact O-N 3.36Å; L326-I329 PolarHBondContact O-N 2.98Å; I329-K331 PolarHBondContact O-N 2.88Å; I329-K332 PolarHBondContact O-N 2.88Å; I329-S333 WeakPolarHBondContact O-CB 3.31Å; I329-S333 PolarHBondContact O-N 3.32Å
330V96.8Very high94.2Very high5 Ų553 Ų533%0.0324%0.243CC..Hα-helixtrans-63.9-40.3-178.4175.80000111.2L138 I205 N208 D210 L326 Y327 S333 S334L138-V330 HydrophobicContact CB-CG2 3.8Å; L138-V330 HydrophobicContact CD1-CG2 3.8Å; L138-V330 HydrophobicContact CG-CG2 4.48Å; I205-V330 WeakPolarHBondContact O-CG2 3.23Å; N208-V330 WeakPolarHBondContact O-CB 3.36Å; D210-V330 HydrophobicContact CB-CG1 3.98Å; L326-V330 VanDerWaalsContact O-CG2 3.3Å; L326-V330 WeakPolarHBondContact O-CG2 3.41Å; L326-V330 PolarHBondContact O-N 3.09Å; Y327-V330 PolarHBondContact O-N 3Å; V330-S333 PolarHBondContact O-N 2.9Å; V330-S334 VanDerWaalsContact O-CB 3.28Å; V330-S334 WeakPolarHBondContact O-CB 3.41Å; V330-S334 PolarHBondContact O-N 2.9Å; V330-S334 PolarHBondContact O-OG 3.24Å
331K95Very high93.7Very high92 Ų9249 Ų4940%0.423%0.229SC..Hα-helixtrans-61-49.9176.3-177177178.5179.50112.1G209 Y327 I329 S334 L335G209-K331 WeakPolarHBondContact O-CA 3.38Å; G209-K331 WeakPolarHBondContact O-CB 3.33Å; G209-K331 PolarHBondContact O-N 3.43Å; Y327-K331 HydrophobicContact CE1-CB 4.48Å; Y327-K331 HydrophobicContact CE1-CD 3.78Å; Y327-K331 WeakPolarHBondContact O-CB 3.45Å; Y327-K331 PolarHBondContact O-N 3.29Å; I329-K331 PolarHBondContact O-N 2.88Å; K331-S334 PolarHBondContact O-OG 2.89Å; K331-L335 HydrophobicContact CG-CD1 4.23Å; K331-L335 WeakPolarHBondContact O-CB 3.32Å; K331-L335 WeakPolarHBondContact O-CD1 3.44Å; K331-L335 VanDerWaalsContact O-CG 3.32Å; K331-L335 WeakPolarHBondContact O-CG 3.33Å; K331-L335 PolarHBondContact O-N 3.06Å; K331-L335 VanDerWaalsContact O-N 3.15Å
332K94.5Very high93.1Very high136 Ų13650.3 Ų50.359%0.59124%0.241SC*.Hα-helixtrans-62.8-46178.3-176.7175.4178.5179.90111.2N328 I329 L335 H336N328-K332 WeakPolarHBondContact O-CB 3.48Å; N328-K332 PolarHBondContact O-N 3.36Å; I329-K332 PolarHBondContact O-N 2.88Å; K332-L335 PolarHBondContact O-N 3.32Å; K332-H336 VanDerWaalsContact CG-CE1 3.47Å; K332-H336 WeakPolarHBondContact CG-CE1 3.25Å; K332-H336 PolarHBondContact O-N 3.48Å; K332-H336 PolarHBondContact O-ND1 3.2Å
333S94.3Very high92.4Very high3 Ų355 Ų552%0.02126%0.262CS..Hα-helixtrans-59.3-51.8178.9171.40000112.7P97 H137 I329 V330 L335 H336 Q337P97-S333 WeakPolarHBondContact CG-OG 3.47Å; H137-S333 WeakPolarHBondContact CB-OG 3.34Å; H137-S333 WeakPolarHBondContact O-CB 3.47Å; H137-S333 PolarHBondContact O-OG 3.47Å; I329-S333 WeakPolarHBondContact O-CB 3.31Å; I329-S333 PolarHBondContact O-N 3.32Å; V330-S333 PolarHBondContact O-N 2.9Å; S333-L335 VanDerWaalsContact C-N 3.33Å; S333-L335 PolarHBondContact O-N 2.75Å; S333-H336 PolarHBondContact O-N 3.22Å; S333-Q337 WeakPolarHBondContact O-CB 3.33Å; S333-Q337 PolarHBondContact O-N 2.94Å
334S92.2Very high91.7Very high2 Ų251 Ų511%0.01424%0.243CC..Hα-helixtrans-62.7-37.6-179.957.20000112.6D210 W211 V330 K331 T338D210-S334 VanDerWaalsContact OD1-CB 3.25Å; D210-S334 WeakPolarHBondContact OD1-CB 3.26Å; W211-S334 PolarHBondContact N-OG 3.24Å; W211-S334 PolarHBondContact NE1-O 3.16Å; V330-S334 VanDerWaalsContact O-CB 3.28Å; V330-S334 WeakPolarHBondContact O-CB 3.41Å; V330-S334 PolarHBondContact O-N 2.9Å; V330-S334 PolarHBondContact O-OG 3.24Å; K331-S334 PolarHBondContact O-OG 2.89Å; S334-T338 WeakPolarHBondContact O-CB 3.27Å; S334-T338 PolarHBondContact O-N 3.42Å; S334-T338 PolarHBondContact O-OG1 2.96Å; S334-T338 VanDerWaalsContact O-OG1 3.05Å
335L90.8Very high90.9Very high65 Ų6548 Ų4834%0.3423%0.228SC..Hα-helixtrans-64.8-48.6174.6-75.9168.4000112W211 K331 K332 S333 Q337 T338 R339W211-L335 HydrophobicContact CB-CD2 4.37Å; W211-L335 HydrophobicContact CD2-CD2 4.3Å; W211-L335 HydrophobicContact CG-CD2 3.83Å; W211-L335 HydrophobicContact CG-CG 4.27Å; K331-L335 HydrophobicContact CG-CD1 4.23Å; K331-L335 WeakPolarHBondContact O-CB 3.32Å; K331-L335 WeakPolarHBondContact O-CD1 3.44Å; K331-L335 VanDerWaalsContact O-CG 3.32Å; K331-L335 WeakPolarHBondContact O-CG 3.33Å; K331-L335 PolarHBondContact O-N 3.06Å; K331-L335 VanDerWaalsContact O-N 3.15Å; K332-L335 PolarHBondContact O-N 3.32Å; S333-L335 VanDerWaalsContact C-N 3.33Å; S333-L335 PolarHBondContact O-N 2.75Å; L335-Q337 VanDerWaalsContact C-N 3.34Å; L335-Q337 PolarHBondContact O-N 3.42Å; L335-T338 PolarHBondContact O-N 2.95Å; L335-R339 WeakPolarHBondContact O-CG 3.22Å; L335-R339 PolarHBondContact O-N 2.95Å; L335-R339 VanDerWaalsContact O-N 3.1Å
336H91.6Very high90.1Very high38 Ų3847.8 Ų47.818%0.17623%0.228CC..Hα-helixtrans-60-45.7177.3-70.6148.3000111.8K332 S333 T338 R339 L340K332-H336 VanDerWaalsContact CG-CE1 3.47Å; K332-H336 WeakPolarHBondContact CG-CE1 3.25Å; K332-H336 PolarHBondContact O-N 3.48Å; K332-H336 PolarHBondContact O-ND1 3.2Å; S333-H336 PolarHBondContact O-N 3.22Å; H336-T338 PolarHBondContact O-N 2.87Å; H336-R339 PolarHBondContact O-N 3.14Å; H336-L340 PolarHBondContact O-N 2.58Å
337Q91Very high89.2Confident5 Ų553.2 Ų53.22%0.02326%0.264CS..Hα-helixtrans-69.7-32.4-177.6-170.954.761.400113P97 V99 Y139 S333 L335 G341P97-Q337 HydrophobicContact CG-CB 4.08Å; P97-Q337 HydrophobicContact CG-CG 4.41Å; V99-Q337 PolarHBondContact O-NE2 3.31Å; Y139-Q337 HydrophobicContact CD1-CG 4.36Å; Y139-Q337 HydrophobicContact CD2-CB 4.36Å; Y139-Q337 HydrophobicContact CD2-CG 4.12Å; Y139-Q337 HydrophobicContact CE1-CG 3.81Å; Y139-Q337 HydrophobicContact CE2-CB 4.08Å; Y139-Q337 HydrophobicContact CE2-CG 3.52Å; S333-Q337 WeakPolarHBondContact O-CB 3.33Å; S333-Q337 PolarHBondContact O-N 2.94Å; L335-Q337 VanDerWaalsContact C-N 3.34Å; L335-Q337 PolarHBondContact O-N 3.42Å; Q337-G341 PolarHBondContact O-N 2.99Å
338T87.2Confident88.5Confident32 Ų3257.3 Ų57.320%0.19628%0.283CS..Hα-helixtrans-62-48.3169.4-72.60000111.2W211 S334 L335 H336 L340 G341 L342W211-T338 HydrophobicContact CH2-CG2 4.17Å; W211-T338 HydrophobicContact CZ2-CG2 3.31Å; W211-T338 WeakPolarHBondContact CZ2-OG1 3.42Å; W211-T338 PolarHBondContact NE1-OG1 3.17Å; S334-T338 WeakPolarHBondContact O-CB 3.27Å; S334-T338 PolarHBondContact O-N 3.42Å; S334-T338 PolarHBondContact O-OG1 2.96Å; S334-T338 VanDerWaalsContact O-OG1 3.05Å; L335-T338 PolarHBondContact O-N 2.95Å; H336-T338 PolarHBondContact O-N 2.87Å; T338-L340 VanDerWaalsContact C-N 3.3Å; T338-L340 PolarHBondContact O-N 2.84Å; T338-G341 PolarHBondContact O-N 2.78Å; T338-G341 VanDerWaalsContact O-N 3.13Å; T338-L342 HydrophobicContact CG2-CD1 4.29Å; T338-L342 HydrophobicContact CG2-CG 4.46Å; T338-L342 WeakPolarHBondContact O-CG 3.48Å; T338-L342 PolarHBondContact O-N 3.48Å
339R87.4Confident87.8Confident169 Ų16955.5 Ų55.564%0.63827%0.269SS*.Hα-helixtrans-59.6-44.1179.2-70.8174.9179.7179.8-0.6111L335 H336 G341 L342 F343L335-R339 WeakPolarHBondContact O-CG 3.22Å; L335-R339 PolarHBondContact O-N 2.95Å; L335-R339 VanDerWaalsContact O-N 3.1Å; H336-R339 PolarHBondContact O-N 3.14Å; R339-G341 PolarHBondContact O-N 2.76Å; R339-L342 PolarHBondContact O-N 2.73Å; R339-F343 PolarHBondContact O-N 3.37Å; R339-F343 VanDerWaalsContact O-N 3.11Å
340L86.6Confident87Confident12 Ų1255 Ų556%0.06327%0.268CS..Hα-helixtrans-59.8-45174.117956.8000111.7F90 I94 H336 T338 L342 F343 S344F90-L340 HydrophobicContact CE1-CD1 3.74Å; F90-L340 HydrophobicContact CZ-CD1 3.59Å; I94-L340 HydrophobicContact CD1-CD1 3.95Å; I94-L340 HydrophobicContact CG2-CD1 4.38Å; I94-L340 HydrophobicContact CG2-CD2 4.37Å; H336-L340 PolarHBondContact O-N 2.58Å; T338-L340 VanDerWaalsContact C-N 3.3Å; T338-L340 PolarHBondContact O-N 2.84Å; L340-L342 VanDerWaalsContact C-N 3.33Å; L340-L342 PolarHBondContact O-N 3.14Å; L340-F343 PolarHBondContact O-N 2.92Å; L340-S344 WeakPolarHBondContact O-CB 3.3Å; L340-S344 PolarHBondContact O-N 3.19Å; L340-S344 PolarHBondContact O-OG 3.38Å
341G85Confident86.2Confident21 Ų2160 Ų6022%0.21629%0.294CS..Hα-helixtrans-64.5-33.5178.400000113.9Q337 T338 R339 S344 A345Q337-G341 PolarHBondContact O-N 2.99Å; T338-G341 PolarHBondContact O-N 2.78Å; T338-G341 VanDerWaalsContact O-N 3.13Å; R339-G341 PolarHBondContact O-N 2.76Å; G341-S344 PolarHBondContact O-OG 3.34Å; G341-A345 WeakPolarHBondContact O-CB 3.3Å; G341-A345 PolarHBondContact O-N 3.14Å; G341-A345 VanDerWaalsContact O-N 3.11Å
342L84.7Confident85.7Confident94 Ų9460.2 Ų60.249%0.49230%0.296SS..Hα-helixtrans-65.6-44172.7-69.3174.9000111T338 R339 L340 G346 S350T338-L342 HydrophobicContact CG2-CD1 4.29Å; T338-L342 HydrophobicContact CG2-CG 4.46Å; T338-L342 WeakPolarHBondContact O-CG 3.48Å; T338-L342 PolarHBondContact O-N 3.48Å; R339-L342 PolarHBondContact O-N 2.73Å; L340-L342 VanDerWaalsContact C-N 3.33Å; L340-L342 PolarHBondContact O-N 3.14Å; L342-G346 PolarHBondContact O-N 2.97Å; L342-S350 WeakPolarHBondContact CA-OG 3.39Å; L342-S350 PolarHBondContact O-OG 3.22Å; L342-S350 VanDerWaalsContact O-OG 3.07Å
343F83.9Confident84.9Confident100 Ų10057.1 Ų57.144%0.43928%0.281SS..Hα-helixtrans-66-46.8177.1-178.3-87.1000112.2N72 V75 F90 R339 L340 G346N72-F343 PolarHBondContact ND2-O 3.49Å; N72-F343 VanDerWaalsContact ND2-O 3.11Å; V75-F343 HydrophobicContact CG2-CD1 4.4Å; V75-F343 HydrophobicContact CG2-CE1 3.67Å; V75-F343 HydrophobicContact CG2-CZ 4.22Å; F90-F343 AromaticContact CD2-CE1 3.92Å; F90-F343 HydrophobicContact CD2-CE1 3.92Å; F90-F343 HydrophobicContact CD2-CZ 4.2Å; F90-F343 HydrophobicContact CE1-CD1 4.37Å; F90-F343 HydrophobicContact CE1-CE1 4.32Å; F90-F343 AromaticContact CE2-CD1 3.35Å; F90-F343 HydrophobicContact CE2-CD1 3.35Å; F90-F343 HydrophobicContact CE2-CD2 4.49Å; F90-F343 AromaticContact CE2-CE1 3.05Å; F90-F343 HydrophobicContact CE2-CE1 3.05Å; F90-F343 HydrophobicContact CE2-CE2 4.26Å; F90-F343 HydrophobicContact CE2-CG 4.07Å; F90-F343 AromaticContact CE2-CZ 3.56Å; F90-F343 HydrophobicContact CE2-CZ 3.56Å; F90-F343 AromaticContact CZ-CD1 3.22Å; F90-F343 HydrophobicContact CZ-CD1 3.22Å; F90-F343 AromaticContact CZ-CE1 3.3Å; F90-F343 HydrophobicContact CZ-CE1 3.3Å; F90-F343 HydrophobicContact CZ-CG 4.14Å; F90-F343 HydrophobicContact CZ-CZ 4.26Å; R339-F343 PolarHBondContact O-N 3.37Å; R339-F343 VanDerWaalsContact O-N 3.11Å; L340-F343 PolarHBondContact O-N 2.92Å; F343-G346 PolarHBondContact O-N 3.46Å
344S82.7Confident84.1Confident1 Ų159.1 Ų59.11%0.00730%0.298CS..Hα-helixtrans-69.5-37.4-174.671.80000112.9N72 Y100 Y101 L340 G341N72-S344 PolarHBondContact ND2-O 3.4Å; Y100-S344 VanDerWaalsContact CE2-CB 3.5Å; Y100-S344 PolarHBondContact OH-O 3.48Å; Y101-S344 WeakPolarHBondContact O-CB 3.42Å; Y101-S344 PolarHBondContact O-OG 2.82Å; L340-S344 WeakPolarHBondContact O-CB 3.3Å; L340-S344 PolarHBondContact O-N 3.19Å; L340-S344 PolarHBondContact O-OG 3.38Å; G341-S344 PolarHBondContact O-OG 3.34Å
345A80.7Confident83.7Confident7 Ų763.4 Ų63.46%0.05832%0.32CS..Hα-helixtrans-77-28.4179.600000112.9P103 G341 R349P103-A345 HydrophobicContact CG-CB 3.66Å; G341-A345 WeakPolarHBondContact O-CB 3.3Å; G341-A345 PolarHBondContact O-N 3.14Å; G341-A345 VanDerWaalsContact O-N 3.11Å; A345-R349 HydrophobicContact CB-CB 3.95Å; A345-R349 WeakPolarHBondContact O-CB 3.3Å
346G80.7Confident83.3Confident7 Ų762.2 Ų62.27%0.07232%0.32CS..Hα-helixtrans73.8161.9-169.900000112.8L342 F343 K348 R349 S350L342-G346 PolarHBondContact O-N 2.97Å; F343-G346 PolarHBondContact O-N 3.46Å; G346-K348 PolarHBondContact O-N 3.46Å; G346-R349 PolarHBondContact O-N 3.21Å; G346-S350 WeakPolarHBondContact O-CB 3.46Å; G346-S350 PolarHBondContact O-N 3.16Å; G346-S350 PolarHBondContact O-OG 3.42Å
347P78.2Confident82.8Confident119 Ų11961.8 Ų61.877%0.77332%0.317SS*.Hα-helixtrans-57.3-42.8-162.719.8-32.6000114.1S350 L351P347-S350 PolarHBondContact O-N 3.27Å; P347-L351 WeakPolarHBondContact O-CB 3.33Å; P347-L351 PolarHBondContact O-N 3.02Å
348K81.8Confident82.3Confident176 Ų17664.1 Ų64.177%0.76533%0.33SS*.Hα-helixtrans-63.1-52.6-179.2-177.2178.6177.6179.20112.3G346 S350 L351 Q352G346-K348 PolarHBondContact O-N 3.46Å; K348-S350 VanDerWaalsContact C-N 3.33Å; K348-L351 PolarHBondContact O-N 2.83Å; K348-Q352 PolarHBondContact O-N 3.08Å; K348-Q352 VanDerWaalsContact O-N 3.12Å
349R81.7Confident82.1Confident58 Ų5866 Ų6622%0.21934%0.338CS..Hα-helixtrans-69.6-33.7-179.6-69.8-175-180164.37111.1N69 H70 P103 F104 A345 G346 Q352 Y353N69-R349 PolarHBondContact O-NH2 2.94Å; H70-R349 PolarHBondContact O-NH1 3.24Å; P103-R349 HydrophobicContact CG-CB 4.25Å; P103-R349 PolarHBondContact O-NH1 3.15Å; F104-R349 HydrophobicContact CD2-CB 4.1Å; F104-R349 HydrophobicContact CD2-CG 4.18Å; F104-R349 HydrophobicContact CE2-CB 4.42Å; A345-R349 HydrophobicContact CB-CB 3.95Å; A345-R349 WeakPolarHBondContact O-CB 3.3Å; G346-R349 PolarHBondContact O-N 3.21Å; R349-Q352 PolarHBondContact O-N 3.04Å; R349-Y353 WeakPolarHBondContact O-CB 3.44Å; R349-Y353 PolarHBondContact O-N 2.9Å
350S79.6Confident81.7Confident12 Ų1260.5 Ų60.58%0.08432%0.319CS..Hα-helixtrans-59.7-46.5172.7-64.50000112.6L342 G346 P347 K348 Y353 A354L342-S350 WeakPolarHBondContact CA-OG 3.39Å; L342-S350 PolarHBondContact O-OG 3.22Å; L342-S350 VanDerWaalsContact O-OG 3.07Å; G346-S350 WeakPolarHBondContact O-CB 3.46Å; G346-S350 PolarHBondContact O-N 3.16Å; G346-S350 PolarHBondContact O-OG 3.42Å; P347-S350 PolarHBondContact O-N 3.27Å; K348-S350 VanDerWaalsContact C-N 3.33Å; S350-Y353 PolarHBondContact O-N 3.11Å; S350-A354 WeakPolarHBondContact O-CB 3.33Å; S350-A354 PolarHBondContact O-N 3.3Å
351L81.1Confident81.4Confident112 Ų11260.8 Ų60.859%0.58632%0.321SS*.Hα-helixtrans-62.3-47.3176.9-178.562.3000111.3P347 K348 Y353 A354 L355P347-L351 WeakPolarHBondContact O-CB 3.33Å; P347-L351 PolarHBondContact O-N 3.02Å; K348-L351 PolarHBondContact O-N 2.83Å; L351-Y353 VanDerWaalsContact C-N 3.3Å; L351-Y353 PolarHBondContact O-N 3.31Å; L351-A354 PolarHBondContact O-N 3.14Å; L351-L355 HydrophobicContact CD1-CG 4.47Å; L351-L355 HydrophobicContact CG-CD1 4.28Å; L351-L355 WeakPolarHBondContact O-CG 3.45Å; L351-L355 PolarHBondContact O-N 2.86Å
352Q83.6Confident81.3Confident96 Ų9663.5 Ų63.545%0.44933%0.327SS..Hα-helixtrans-58.1-42.8176.4-173.7-179.8-2.500111.9F104 K348 R349 L355 A356F104-Q352 HydrophobicContact CE1-CG 4.16Å; F104-Q352 HydrophobicContact CE2-CB 4.15Å; F104-Q352 HydrophobicContact CE2-CG 4.13Å; F104-Q352 HydrophobicContact CZ-CB 4.2Å; F104-Q352 HydrophobicContact CZ-CG 3.75Å; K348-Q352 PolarHBondContact O-N 3.08Å; K348-Q352 VanDerWaalsContact O-N 3.12Å; R349-Q352 PolarHBondContact O-N 3.04Å; Q352-L355 PolarHBondContact O-N 3.42Å; Q352-A356 WeakPolarHBondContact O-CB 3.45Å; Q352-A356 PolarHBondContact O-N 3.24Å
353Y77.9Confident81.1Confident70 Ų7059.4 Ų59.428%0.27531%0.306SS..Hα-helixtrans-66-41.9177.6-168.6-99.8000112.3F104 K119 R349 S350 L351 A356 K357F104-Y353 HydrophobicContact CE2-CD2 4.35Å; F104-Y353 HydrophobicContact CZ-CD2 4.16Å; K119-Y353 HydrophobicContact CD-CE2 4.42Å; K119-Y353 PolarHBondContact NZ-OH 2.92Å; R349-Y353 WeakPolarHBondContact O-CB 3.44Å; R349-Y353 PolarHBondContact O-N 2.9Å; S350-Y353 PolarHBondContact O-N 3.11Å; L351-Y353 VanDerWaalsContact C-N 3.3Å; L351-Y353 PolarHBondContact O-N 3.31Å; Y353-A356 PolarHBondContact O-N 3.22Å; Y353-K357 HydrophobicContact CD1-CG 4.14Å; Y353-K357 HydrophobicContact CE1-CD 4.46Å; Y353-K357 HydrophobicContact CE1-CG 3.89Å; Y353-K357 WeakPolarHBondContact O-CB 3.28Å; Y353-K357 VanDerWaalsContact O-CG 3.31Å; Y353-K357 WeakPolarHBondContact O-CG 3.21Å; Y353-K357 PolarHBondContact O-N 3.05Å; Y353-K357 VanDerWaalsContact OH-CE 3.31Å; Y353-K357 WeakPolarHBondContact OH-CE 3.37Å
354A78.6Confident80.9Confident45 Ų4555.5 Ų55.537%0.37229%0.291SS..Hα-helixtrans-61.9-45.1176.600000111.6S350 L351 K357 L358S350-A354 WeakPolarHBondContact O-CB 3.33Å; S350-A354 PolarHBondContact O-N 3.3Å; L351-A354 PolarHBondContact O-N 3.14Å; A354-K357 WeakPolarHBondContact O-CB 3.23Å; A354-K357 PolarHBondContact O-N 3.14Å; A354-L358 WeakPolarHBondContact O-CG 3.5Å; A354-L358 PolarHBondContact O-N 2.86Å
355L83.4Confident81Confident93 Ų9359.7 Ų59.749%0.48731%0.313SS..Hα-helixtrans-61.4-46.3175.8-69.4173.2000111.8L351 Q352 K357 L358 N359L351-L355 HydrophobicContact CD1-CG 4.47Å; L351-L355 HydrophobicContact CG-CD1 4.28Å; L351-L355 WeakPolarHBondContact O-CG 3.45Å; L351-L355 PolarHBondContact O-N 2.86Å; Q352-L355 PolarHBondContact O-N 3.42Å; L355-K357 PolarHBondContact O-N 3.16Å; L355-L358 PolarHBondContact O-N 2.77Å; L355-N359 PolarHBondContact O-N 3.38Å
356A81.4Confident81.1Confident39 Ų3962.6 Ų62.632%0.32234%0.343SS..Hα-helixtrans-60.6-31176.600000112.7Q352 Y353 K360Q352-A356 WeakPolarHBondContact O-CB 3.45Å; Q352-A356 PolarHBondContact O-N 3.24Å; Y353-A356 PolarHBondContact O-N 3.22Å; A356-K360 WeakPolarHBondContact O-CG 3.49Å; A356-K360 PolarHBondContact O-N 2.88Å
357K81.1Confident81.2Confident30 Ų3067.9 Ų67.913%0.1337%0.369CS..Hα-helixtrans-75-44.8175.9-80.3-73.4172.81800111.8G216 E217 Y353 A354 L355 N359 K360 M361G216-K357 CarbonylContact C-O 3.4Å; G216-K357 VanDerWaalsContact C-O 3.28Å; G216-K357 WeakPolarHBondContact CA-O 3.42Å; G216-K357 CarbonylContact O-C 3.58Å; G216-K357 VanDerWaalsContact O-CA 3.26Å; G216-K357 WeakPolarHBondContact O-CA 3.31Å; G216-K357 WeakPolarHBondContact O-CB 3.36Å; G216-K357 WeakPolarHBondContact O-CD 3.17Å; E217-K357 IonicContact OE1-NZ 2.59Å; E217-K357 PolarHBondContact OE1-NZ 3.39Å; E217-K357 IonicContact OE2-NZ 2.77Å; E217-K357 PolarHBondContact OE2-NZ 2.9Å; Y353-K357 HydrophobicContact CD1-CG 4.14Å; Y353-K357 HydrophobicContact CE1-CD 4.46Å; Y353-K357 HydrophobicContact CE1-CG 3.89Å; Y353-K357 WeakPolarHBondContact O-CB 3.28Å; Y353-K357 VanDerWaalsContact O-CG 3.31Å; Y353-K357 WeakPolarHBondContact O-CG 3.21Å; Y353-K357 PolarHBondContact O-N 3.05Å; Y353-K357 VanDerWaalsContact OH-CE 3.31Å; Y353-K357 WeakPolarHBondContact OH-CE 3.37Å; A354-K357 WeakPolarHBondContact O-CB 3.23Å; A354-K357 PolarHBondContact O-N 3.14Å; L355-K357 PolarHBondContact O-N 3.16Å; K357-N359 VanDerWaalsContact C-N 3.32Å; K357-N359 PolarHBondContact O-N 3.22Å; K357-K360 WeakPolarHBondContact O-CB 3.34Å; K357-K360 PolarHBondContact O-N 2.74Å; K357-K360 VanDerWaalsContact O-N 3.13Å; K357-M361 PolarHBondContact O-N 3.49Å; K357-M361 VanDerWaalsContact O-N 3.08Å
358L81.2Confident81.5Confident54 Ų5465.8 Ų65.828%0.28335%0.351SS..Hα-helixtrans-59.2-41.5173.5-70.3173.1000112.3I215 A354 L355 K360 M361 F362I215-L358 HydrophobicContact CG2-CD2 3.88Å; A354-L358 WeakPolarHBondContact O-CG 3.5Å; A354-L358 PolarHBondContact O-N 2.86Å; L355-L358 PolarHBondContact O-N 2.77Å; L358-K360 VanDerWaalsContact C-N 3.32Å; L358-K360 PolarHBondContact O-N 3.2Å; L358-M361 HydrophobicContact CD2-CE 3.99Å; L358-M361 WeakPolarHBondContact O-CB 3.42Å; L358-M361 PolarHBondContact O-N 3.41Å; L358-M361 VanDerWaalsContact O-N 3.09Å; L358-F362 HydrophobicContact CB-CE2 4.18Å; L358-F362 VanDerWaalsContact O-CD2 3.28Å; L358-F362 WeakPolarHBondContact O-CD2 3.13Å; L358-F362 PolarHBondContact O-N 3.27Å
359N82.6Confident81.3Confident70 Ų7066.5 Ų66.537%0.37435%0.354SS..Hα-helixtrans-59-42.1174.8-74.4-7.6000112.1L355 K357 M361 F362 A363 I368L355-N359 PolarHBondContact O-N 3.38Å; K357-N359 VanDerWaalsContact C-N 3.32Å; K357-N359 PolarHBondContact O-N 3.22Å; N359-M361 VanDerWaalsContact C-N 3.3Å; N359-M361 PolarHBondContact O-N 3.26Å; N359-F362 PolarHBondContact O-N 3.01Å; N359-A363 VanDerWaalsContact O-CB 3.3Å; N359-A363 WeakPolarHBondContact O-CB 3.28Å; N359-A363 PolarHBondContact O-N 3.12Å; N359-I368 HydrophobicContact CB-CD1 4.12Å
360K78.4Confident80.8Confident55 Ų5566.7 Ų66.724%0.23936%0.355CS..Hα-helixtrans-61.5-40.2175.3-70.3171.9-175-177.80111.9A356 K357 L358 S364 W370A356-K360 WeakPolarHBondContact O-CG 3.49Å; A356-K360 PolarHBondContact O-N 2.88Å; K357-K360 WeakPolarHBondContact O-CB 3.34Å; K357-K360 PolarHBondContact O-N 2.74Å; K357-K360 VanDerWaalsContact O-N 3.13Å; L358-K360 VanDerWaalsContact C-N 3.32Å; L358-K360 PolarHBondContact O-N 3.2Å; K360-S364 WeakPolarHBondContact O-CB 3.26Å; K360-S364 PolarHBondContact O-N 2.86Å; K360-W370 HydrophobicContact CB-CZ3 4.23Å; K360-W370 HydrophobicContact CG-CZ3 4.25Å
361M80.5Confident80Confident18 Ų1870.8 Ų70.89%0.08938%0.383CS..Hα-helixtrans-63.5-52.2176.6-175.8-175.272.500111G216 E217 K357 L358 N359 A363 S364 L365G216-M361 PolarHBondContact N-SD 3.5Å; G216-M361 VanDerWaalsContact N-SD 3.42Å; E217-M361 WeakPolarHBondContact O-CA 3.27Å; K357-M361 PolarHBondContact O-N 3.49Å; K357-M361 VanDerWaalsContact O-N 3.08Å; L358-M361 HydrophobicContact CD2-CE 3.99Å; L358-M361 WeakPolarHBondContact O-CB 3.42Å; L358-M361 PolarHBondContact O-N 3.41Å; L358-M361 VanDerWaalsContact O-N 3.09Å; N359-M361 VanDerWaalsContact C-N 3.3Å; N359-M361 PolarHBondContact O-N 3.26Å; M361-A363 VanDerWaalsContact C-N 3.33Å; M361-A363 PolarHBondContact O-N 3.42Å; M361-S364 PolarHBondContact O-N 3.23Å; M361-S364 VanDerWaalsContact O-N 3.13Å; M361-S364 PolarHBondContact O-OG 3.49Å; M361-L365 HydrophobicContact CG-CD1 4.28Å; M361-L365 WeakPolarHBondContact O-CG 3.34Å; M361-L365 PolarHBondContact O-N 2.95Å; M361-L365 VanDerWaalsContact O-N 3.12Å
362F83Confident80Confident78 Ų7868.7 Ų68.734%0.34237%0.373SS..Hα-helixtrans-62.5-38.3-180-65.4-44.7000112.6L358 N359 S364 L365 G366 L367 I368L358-F362 HydrophobicContact CB-CE2 4.18Å; L358-F362 VanDerWaalsContact O-CD2 3.28Å; L358-F362 WeakPolarHBondContact O-CD2 3.13Å; L358-F362 PolarHBondContact O-N 3.27Å; N359-F362 PolarHBondContact O-N 3.01Å; F362-S364 VanDerWaalsContact C-N 3.34Å; F362-S364 PolarHBondContact O-N 3.2Å; F362-L365 PolarHBondContact O-N 3.24Å; F362-G366 PolarHBondContact O-N 3.29Å; F362-L367 HydrophobicContact CB-CB 4.28Å; F362-L367 HydrophobicContact CD1-CD1 3.81Å; F362-L367 HydrophobicContact CE1-CD1 4.49Å; F362-L367 PolarHBondContact O-N 3.47Å; F362-I368 HydrophobicContact CB-CD1 3.9Å; F362-I368 HydrophobicContact CB-CG1 3.81Å
363A81.8Confident79.8Confident7 Ų767.3 Ų67.36%0.05837%0.369CS..Hα-helixtrans-63.6-39.9174.600000111.9N359 M361 L365 G366 I368 W370N359-A363 VanDerWaalsContact O-CB 3.3Å; N359-A363 WeakPolarHBondContact O-CB 3.28Å; N359-A363 PolarHBondContact O-N 3.12Å; M361-A363 VanDerWaalsContact C-N 3.33Å; M361-A363 PolarHBondContact O-N 3.42Å; A363-L365 PolarHBondContact O-N 2.95Å; A363-G366 PolarHBondContact O-N 2.99Å; A363-G366 VanDerWaalsContact O-N 3.13Å; A363-I368 WeakPolarHBondContact CA-O 3.49Å; A363-I368 HydrophobicContact CB-CG1 3.95Å; A363-W370 HydrophobicContact CB-CD2 3.64Å; A363-W370 HydrophobicContact CB-CE3 3.84Å; A363-W370 HydrophobicContact CB-CG 4.02Å; A363-W370 HydrophobicContact CB-CH2 4.38Å; A363-W370 HydrophobicContact CB-CZ2 4.21Å; A363-W370 HydrophobicContact CB-CZ3 4.19Å
364S80Confident79.9Confident18 Ų1867.1 Ų67.113%0.12637%0.374CS..Hα-helixtrans-67-24.1176.175.50000114.1D218 R219 K360 M361 F362 G366D218-S364 WeakPolarHBondContact OD1-CB 3.23Å; R219-S364 PolarHBondContact N-OG 2.79Å; R219-S364 VanDerWaalsContact N-OG 3.09Å; K360-S364 WeakPolarHBondContact O-CB 3.26Å; K360-S364 PolarHBondContact O-N 2.86Å; M361-S364 PolarHBondContact O-N 3.23Å; M361-S364 VanDerWaalsContact O-N 3.13Å; M361-S364 PolarHBondContact O-OG 3.49Å; F362-S364 VanDerWaalsContact C-N 3.34Å; F362-S364 PolarHBondContact O-N 3.2Å; S364-G366 VanDerWaalsContact C-N 3.34Å
365L83.4Confident79.9Confident90 Ų9068.4 Ų68.447%0.47137%0.374SS..THydrogen-bonded Turntrans-87.8-1.6175.6-67172.7000112.8R219 M361 F362 A363 L367R219-L365 HydrophobicContact CG-CD2 3.98Å; R219-L365 HydrophobicContact CG-CG 4.43Å; M361-L365 HydrophobicContact CG-CD1 4.28Å; M361-L365 WeakPolarHBondContact O-CG 3.34Å; M361-L365 PolarHBondContact O-N 2.95Å; M361-L365 VanDerWaalsContact O-N 3.12Å; F362-L365 PolarHBondContact O-N 3.24Å; A363-L365 PolarHBondContact O-N 2.95Å; L365-L367 VanDerWaalsContact C-N 3.26Å; L365-L367 HydrophobicContact CB-CD1 4.1Å; L365-L367 HydrophobicContact CB-CG 4.1Å; L365-L367 HydrophobicContact CD1-CD1 4.25Å; L365-L367 PolarHBondContact O-N 2.63Å
366G82.3Confident79.7Confident67 Ų6766.9 Ų66.969%0.69137%0.367SS*.THydrogen-bonded Turntrans75.410.3-177.600000114.6F362 A363 S364F362-G366 PolarHBondContact O-N 3.29Å; A363-G366 PolarHBondContact O-N 2.99Å; A363-G366 VanDerWaalsContact O-N 3.13Å; S364-G366 VanDerWaalsContact C-N 3.34Å
367L83.2Confident79.6Confident119 Ų11968.7 Ų68.762%0.62337%0.37SS*.SBendtrans-79.7-25.7-179-64.3171.9000112.5F362 L365F362-L367 HydrophobicContact CB-CB 4.28Å; F362-L367 HydrophobicContact CD1-CD1 3.81Å; F362-L367 HydrophobicContact CE1-CD1 4.49Å; F362-L367 PolarHBondContact O-N 3.47Å; L365-L367 VanDerWaalsContact C-N 3.26Å; L365-L367 HydrophobicContact CB-CD1 4.1Å; L365-L367 HydrophobicContact CB-CG 4.1Å; L365-L367 HydrophobicContact CD1-CD1 4.25Å; L365-L367 PolarHBondContact O-N 2.63Å
368I85.4Confident79.5Confident74 Ų7471.5 Ų71.538%0.37939%0.387SS..SBendtrans-140.2165.1174.764.8173.5000110.3N359 F362 A363N359-I368 HydrophobicContact CB-CD1 4.12Å; F362-I368 HydrophobicContact CB-CD1 3.9Å; F362-I368 HydrophobicContact CB-CG1 3.81Å; A363-I368 WeakPolarHBondContact CA-O 3.49Å; A363-I368 HydrophobicContact CB-CG1 3.95Å
369K77.7Confident79.4Confident192 Ų19272.8 Ų72.884%0.83540%0.395SS*.  trans-76.1152.9170.3-68.2-174.3179.8179.70110.8S371K369-S371 PolarHBondContact O-N 2.94Å
370W71.6Confident79.1Confident62 Ų6273.1 Ų73.124%0.23540%0.397CS..  trans-64.7122.9171.3-69.593.9000110R40 D218 K360 A363R40-W370 HydrophobicContact CG-CD2 4.04Å; R40-W370 HydrophobicContact CG-CE3 3.86Å; R40-W370 HydrophobicContact CG-CH2 4.47Å; R40-W370 HydrophobicContact CG-CZ3 4.11Å; D218-W370 HydrophobicContact CB-CH2 4.08Å; K360-W370 HydrophobicContact CB-CZ3 4.23Å; K360-W370 HydrophobicContact CG-CZ3 4.25Å; A363-W370 HydrophobicContact CB-CD2 3.64Å; A363-W370 HydrophobicContact CB-CE3 3.84Å; A363-W370 HydrophobicContact CB-CG 4.02Å; A363-W370 HydrophobicContact CB-CH2 4.38Å; A363-W370 HydrophobicContact CB-CZ2 4.21Å; A363-W370 HydrophobicContact CB-CZ3 4.19Å
371S62.1Low79.2Confident97 Ų9774.7 Ų74.768%0.67841%0.412SS*.  trans-99.50175.465.20000112.7K369K369-S371 PolarHBondContact O-N 2.94Å

Retrieved 371 of 371 residues in 122.6 ms (Link to these results)

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