A0A3Q0KJG6_SCHMA Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A3Q0KJG6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 580 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
1M48.3Very low72.4Confident184 Ų18497.3 Ų97.391%0.90649%0.494SS*.  0124.60-71.1176.4-170.900105.7S3M1-S3 PolarHBondContact O-N 3.16Å
2E54.1Low73.6Confident190 Ų19090.3 Ų90.389%0.88846%0.459SS*.  trans-55.3128.2170.9-70.2174.4162.800107.9V4E2-V4 PolarHBondContact O-N 3.18Å; E2-V4 VanDerWaalsContact O-N 3.17Å
3S62.6Low74.7Confident88 Ų8885.8 Ų85.862%0.61544%0.436SS*.  trans-67.3113.7-178.751.20000109M1 D5M1-S3 PolarHBondContact O-N 3.16Å; S3-D5 PolarHBondContact O-N 3.32Å
4V69.7Low75.6Confident25 Ų2591.5 Ų91.515%0.15246%0.461CS..  trans-81.7104.1177.9174.40000108.6E2 E6 Q9 L10 P28 Q33E2-V4 PolarHBondContact O-N 3.18Å; E2-V4 VanDerWaalsContact O-N 3.17Å; V4-E6 VanDerWaalsContact CG1-O 3.25Å; V4-E6 WeakPolarHBondContact CG1-O 3.35Å; V4-Q9 HydrophobicContact CG1-CB 3.86Å; V4-L10 HydrophobicContact CB-CD2 4.31Å; V4-L10 HydrophobicContact CG1-CD1 4.43Å; V4-L10 HydrophobicContact CG1-CD2 3.81Å; V4-L10 HydrophobicContact CG1-CG 3.84Å; V4-L10 HydrophobicContact CG2-CD2 4.09Å; V4-P28 WeakPolarHBondContact O-CG 3.25Å; V4-Q33 VanDerWaalsContact O-CD 3.27Å; V4-Q33 PolarHBondContact O-NE2 3.46Å
5D71Confident76.6Confident78 Ų7889.9 Ų89.942%0.41745%0.447SS..  trans-74.6-27.6-176.2-96.6-49.4000113.2S3 K27S3-D5 PolarHBondContact O-N 3.32Å; D5-K27 IonicContact OD1-NZ 3.69Å; D5-K27 PolarHBondContact OD1-NZ 3.17Å
6E80.2Confident77.4Confident104 Ų10484.4 Ų84.449%0.48642%0.419SS..SBendtrans-134.7144.4-173.2-64.3-169.1-177.800113V4 H8 Q9V4-E6 VanDerWaalsContact CG1-O 3.25Å; V4-E6 WeakPolarHBondContact CG1-O 3.35Å; E6-H8 PolarHBondContact O-N 3.28Å; E6-H8 VanDerWaalsContact O-N 3.16Å; E6-H8 IonicContact OE2-ND1 2.59Å; E6-Q9 PolarHBondContact O-N 3.2Å; E6-Q9 VanDerWaalsContact O-N 3.16Å
7F82.8Confident78.2Confident8 Ų881.1 Ų81.14%0.03540%0.404CS..G310 helixtrans-59.8-26.3177.4-73.8-79.3000113.9Q9 L10 L12 L17 I20 W25 P28 I61F7-Q9 PolarHBondContact O-N 3.32Å; F7-L10 HydrophobicContact CD1-CD1 4.25Å; F7-L10 WeakPolarHBondContact O-CB 3.3Å; F7-L10 PolarHBondContact O-N 3.26Å; F7-L12 HydrophobicContact CD1-CD1 4.37Å; F7-L17 HydrophobicContact CB-CD2 3.88Å; F7-I20 HydrophobicContact CD1-CD1 3.97Å; F7-I20 HydrophobicContact CD2-CG2 3.8Å; F7-I20 HydrophobicContact CE1-CD1 4.28Å; F7-I20 HydrophobicContact CE2-CG2 3.87Å; F7-I20 HydrophobicContact CG-CD1 4.33Å; F7-I20 HydrophobicContact CG-CG2 4.13Å; F7-I20 HydrophobicContact CZ-CG2 4.27Å; F7-W25 HydrophobicContact CE2-CB 4.01Å; F7-W25 HydrophobicContact CZ-CB 4.39Å; F7-W25 HydrophobicContact CZ-CE3 4.44Å; F7-P28 HydrophobicContact CD1-CB 4.26Å; F7-P28 HydrophobicContact CE1-CB 3.75Å; F7-P28 HydrophobicContact CE2-CB 4.2Å; F7-P28 VanDerWaalsContact CZ-CA 3.45Å; F7-P28 HydrophobicContact CZ-CB 3.73Å; F7-I61 HydrophobicContact CE1-CD1 4Å
8H80.6Confident78.9Confident125 Ų12582.7 Ų82.758%0.57941%0.408SS*.G310 helixtrans-63.8-28.4179.3-61.2100.8000112.8E6 L10E6-H8 PolarHBondContact O-N 3.28Å; E6-H8 VanDerWaalsContact O-N 3.16Å; E6-H8 IonicContact OE2-ND1 2.59Å; H8-L10 PolarHBondContact O-N 3.24Å
9Q83.3Confident79.6Confident112 Ų11278.3 Ų78.352%0.52339%0.386SS..G310 helixtrans-72.8-14.2179.7-63.4176.1-13.300112.7V4 E6 F7 N11V4-Q9 HydrophobicContact CG1-CB 3.86Å; E6-Q9 PolarHBondContact O-N 3.2Å; E6-Q9 VanDerWaalsContact O-N 3.16Å; F7-Q9 PolarHBondContact O-N 3.32Å; Q9-N11 VanDerWaalsContact C-N 3.28Å; Q9-N11 PolarHBondContact O-N 3.4Å
10L80.9Confident80.2Confident16 Ų1674.7 Ų74.78%0.08437%0.368CS..G310 helixtrans-85.78.3-177.6-62.3172.4000113.7V4 F7 H8 L12 I36V4-L10 HydrophobicContact CB-CD2 4.31Å; V4-L10 HydrophobicContact CG1-CD1 4.43Å; V4-L10 HydrophobicContact CG1-CD2 3.81Å; V4-L10 HydrophobicContact CG1-CG 3.84Å; V4-L10 HydrophobicContact CG2-CD2 4.09Å; F7-L10 HydrophobicContact CD1-CD1 4.25Å; F7-L10 WeakPolarHBondContact O-CB 3.3Å; F7-L10 PolarHBondContact O-N 3.26Å; H8-L10 PolarHBondContact O-N 3.24Å; L10-L12 VanDerWaalsContact C-N 3.28Å; L10-L12 HydrophobicContact CB-CD1 4.22Å; L10-L12 HydrophobicContact CB-CD2 4.28Å; L10-L12 HydrophobicContact CB-CG 3.9Å; L10-L12 PolarHBondContact O-N 2.9Å; L10-I36 HydrophobicContact CD1-CD1 3.79Å; L10-I36 HydrophobicContact CD1-CG2 4.21Å; L10-I36 HydrophobicContact CD2-CG2 4.39Å
11N82.9Confident80.6Confident140 Ų14074.4 Ų74.475%0.74937%0.374SS*.THydrogen-bonded Turntrans51.941.9179.3-66.3-31.5000114.1Q9Q9-N11 VanDerWaalsContact C-N 3.28Å; Q9-N11 PolarHBondContact O-N 3.4Å
12L86.6Confident82.7Confident14 Ų1468.9 Ų68.97%0.07335%0.348CS..  trans-81.9152-179.8-57.3176000112.2F7 L10 L17 I20 F40 I61 N65F7-L12 HydrophobicContact CD1-CD1 4.37Å; L10-L12 VanDerWaalsContact C-N 3.28Å; L10-L12 HydrophobicContact CB-CD1 4.22Å; L10-L12 HydrophobicContact CB-CD2 4.28Å; L10-L12 HydrophobicContact CB-CG 3.9Å; L10-L12 PolarHBondContact O-N 2.9Å; L12-L17 HydrophobicContact CB-CD1 4.5Å; L12-L17 HydrophobicContact CB-CD2 4.13Å; L12-L17 HydrophobicContact CB-CG 4.05Å; L12-L17 HydrophobicContact CD1-CD2 4.13Å; L12-I20 HydrophobicContact CD1-CD1 4.23Å; L12-F40 HydrophobicContact CD2-CE2 4.02Å; L12-F40 HydrophobicContact CD2-CZ 3.69Å; L12-I61 HydrophobicContact CD1-CG2 3.57Å; L12-I61 HydrophobicContact CD2-CG2 3.62Å; L12-I61 HydrophobicContact CG-CG2 4.24Å; L12-N65 HydrophobicContact CD2-CB 4.45Å
13D87.6Confident84.2Confident31 Ų3162.6 Ų62.617%0.16632%0.32CS..  trans-57.4138171.5-171.4-64.7000111.5R15 I16 L17 N65 L68D13-R15 PolarHBondContact O-N 3.32Å; D13-R15 VanDerWaalsContact O-N 3.12Å; D13-R15 VanDerWaalsContact OD1-CB 3.28Å; D13-R15 WeakPolarHBondContact OD1-CB 3.38Å; D13-R15 WeakPolarHBondContact OD1-CG 3.4Å; D13-R15 IonicContact OD1-CZ 2.71Å; D13-R15 PolarHBondContact OD1-N 2.9Å; D13-R15 IonicContact OD1-NE 3.63Å; D13-R15 PolarHBondContact OD1-NE 3Å; D13-R15 IonicContact OD1-NH2 3.49Å; D13-R15 IonicContact OD2-CZ 2.94Å; D13-R15 IonicContact OD2-NE 3Å; D13-R15 PolarHBondContact OD2-NE 3.45Å; D13-R15 IonicContact OD2-NH2 3.79Å; D13-R15 PolarHBondContact OD2-NH2 3.45Å; D13-I16 HydrophobicContact CB-CD1 4.48Å; D13-I16 PolarHBondContact O-N 3.16Å; D13-L17 PolarHBondContact O-N 3.12Å; D13-L17 VanDerWaalsContact O-N 3.11Å; D13-N65 PolarHBondContact N-OD1 3.29Å; D13-L68 HydrophobicContact CB-CD1 4.01Å
14Q88Confident85.4Confident166 Ų16663.4 Ų63.478%0.77632%0.318SS*.Hα-helixtrans-56.6-30.9-177.9-65.9-178.51.200113.2I16 L17 K18Q14-I16 VanDerWaalsContact C-N 3.34Å; Q14-L17 PolarHBondContact O-N 3.09Å; Q14-K18 WeakPolarHBondContact O-CB 3.49Å; Q14-K18 PolarHBondContact O-N 3.34Å
15R89.7Confident86.1Confident67 Ų6766.5 Ų66.525%0.25333%0.327SS..Hα-helixtrans-65.5-39.2178.1-66.6172-75.2-176.9-4.6111.6D13 A19 S108D13-R15 PolarHBondContact O-N 3.32Å; D13-R15 VanDerWaalsContact O-N 3.12Å; D13-R15 VanDerWaalsContact OD1-CB 3.28Å; D13-R15 WeakPolarHBondContact OD1-CB 3.38Å; D13-R15 WeakPolarHBondContact OD1-CG 3.4Å; D13-R15 IonicContact OD1-CZ 2.71Å; D13-R15 PolarHBondContact OD1-N 2.9Å; D13-R15 IonicContact OD1-NE 3.63Å; D13-R15 PolarHBondContact OD1-NE 3Å; D13-R15 IonicContact OD1-NH2 3.49Å; D13-R15 IonicContact OD2-CZ 2.94Å; D13-R15 IonicContact OD2-NE 3Å; D13-R15 PolarHBondContact OD2-NE 3.45Å; D13-R15 IonicContact OD2-NH2 3.79Å; D13-R15 PolarHBondContact OD2-NH2 3.45Å; R15-A19 PolarHBondContact O-N 3.46Å; R15-A19 VanDerWaalsContact O-N 3.16Å; R15-S108 PolarHBondContact NH1-OG 3.48Å
16I90.6Very high86.7Confident2 Ų268.8 Ų68.81%0.0134%0.343CS..Hα-helixtrans-72.8-44.6178.1-61.6175.8000109.4D13 Q14 K18 A19 I20 I61 L64 N65 L68D13-I16 HydrophobicContact CB-CD1 4.48Å; D13-I16 PolarHBondContact O-N 3.16Å; Q14-I16 VanDerWaalsContact C-N 3.34Å; I16-K18 VanDerWaalsContact C-N 3.27Å; I16-K18 PolarHBondContact O-N 2.95Å; I16-A19 WeakPolarHBondContact O-CB 3.35Å; I16-A19 PolarHBondContact O-N 2.98Å; I16-I20 HydrophobicContact CG2-CD1 3.83Å; I16-I20 HydrophobicContact CG2-CG1 4.27Å; I16-I20 WeakPolarHBondContact O-CG1 3.42Å; I16-I20 PolarHBondContact O-N 3.25Å; I16-I61 HydrophobicContact CG2-CG2 4.38Å; I16-L64 HydrophobicContact CD1-CB 3.83Å; I16-N65 HydrophobicContact CD1-CB 3.96Å; I16-L68 HydrophobicContact CD1-CD1 3.91Å; I16-L68 HydrophobicContact CG1-CD1 3.99Å
17L90.8Very high87Confident29 Ų2969.9 Ų69.915%0.15235%0.346CS..Hα-helixtrans-56.7-41.6175.7-70.3171.7000112F7 L12 D13 Q14 I20 S21F7-L17 HydrophobicContact CB-CD2 3.88Å; L12-L17 HydrophobicContact CB-CD1 4.5Å; L12-L17 HydrophobicContact CB-CD2 4.13Å; L12-L17 HydrophobicContact CB-CG 4.05Å; L12-L17 HydrophobicContact CD1-CD2 4.13Å; D13-L17 PolarHBondContact O-N 3.12Å; D13-L17 VanDerWaalsContact O-N 3.11Å; Q14-L17 PolarHBondContact O-N 3.09Å; L17-I20 PolarHBondContact O-N 2.88Å; L17-S21 PolarHBondContact O-N 3.3Å
18K91Very high87.2Confident109 Ų10969.8 Ų69.847%0.47435%0.347SS..Hα-helixtrans-63-42.3174.5-164.8179-178.41740112.1Q14 I16 S21 D22 Y104Q14-K18 WeakPolarHBondContact O-CB 3.49Å; Q14-K18 PolarHBondContact O-N 3.34Å; I16-K18 VanDerWaalsContact C-N 3.27Å; I16-K18 PolarHBondContact O-N 2.95Å; K18-S21 PolarHBondContact O-N 3.45Å; K18-S21 PolarHBondContact O-OG 2.63Å; K18-D22 PolarHBondContact O-N 3.1Å; K18-D22 VanDerWaalsContact O-N 3.1Å; K18-Y104 HydrophobicContact CB-CD2 3.89Å; K18-Y104 HydrophobicContact CB-CE2 4Å; K18-Y104 HydrophobicContact CD-CD1 4.05Å; K18-Y104 HydrophobicContact CD-CD2 3.92Å; K18-Y104 HydrophobicContact CD-CE1 3.84Å; K18-Y104 HydrophobicContact CD-CE2 3.7Å; K18-Y104 HydrophobicContact CD-CG 4.09Å; K18-Y104 HydrophobicContact CG-CD2 3.87Å; K18-Y104 HydrophobicContact CG-CE2 3.5Å
19A91.7Very high87.4Confident0 Ų066.4 Ų66.40%033%0.334CS..Hα-helixtrans-64.5-39.5175.600000112.5R15 I16 S21 D22 L23 L101 Y104R15-A19 PolarHBondContact O-N 3.46Å; R15-A19 VanDerWaalsContact O-N 3.16Å; I16-A19 WeakPolarHBondContact O-CB 3.35Å; I16-A19 PolarHBondContact O-N 2.98Å; A19-S21 VanDerWaalsContact C-N 3.31Å; A19-S21 PolarHBondContact O-N 3.18Å; A19-D22 WeakPolarHBondContact O-CB 3.1Å; A19-D22 PolarHBondContact O-N 2.99Å; A19-L23 WeakPolarHBondContact O-CG 3.47Å; A19-L23 PolarHBondContact O-N 2.94Å; A19-L23 VanDerWaalsContact O-N 3.1Å; A19-L101 WeakPolarHBondContact CB-O 3.5Å; A19-Y104 HydrophobicContact CB-CD2 4.17Å
20I91Very high87.5Confident5 Ų566.2 Ų66.23%0.02634%0.337CS..Hα-helixtrans-61.7-41.3174.7-68.9171.3000110.6F7 L12 I16 L17 D22 L23 N24 W25 I61 L101F7-I20 HydrophobicContact CD1-CD1 3.97Å; F7-I20 HydrophobicContact CD2-CG2 3.8Å; F7-I20 HydrophobicContact CE1-CD1 4.28Å; F7-I20 HydrophobicContact CE2-CG2 3.87Å; F7-I20 HydrophobicContact CG-CD1 4.33Å; F7-I20 HydrophobicContact CG-CG2 4.13Å; F7-I20 HydrophobicContact CZ-CG2 4.27Å; L12-I20 HydrophobicContact CD1-CD1 4.23Å; I16-I20 HydrophobicContact CG2-CD1 3.83Å; I16-I20 HydrophobicContact CG2-CG1 4.27Å; I16-I20 WeakPolarHBondContact O-CG1 3.42Å; I16-I20 PolarHBondContact O-N 3.25Å; L17-I20 PolarHBondContact O-N 2.88Å; I20-D22 PolarHBondContact O-N 3.41Å; I20-L23 PolarHBondContact O-N 3.01Å; I20-N24 PolarHBondContact O-N 2.94Å; I20-W25 HydrophobicContact CG1-CE3 4.28Å; I20-W25 HydrophobicContact CG2-CB 3.89Å; I20-W25 HydrophobicContact CG2-CE3 4.19Å; I20-W25 PolarHBondContact O-N 3.22Å; I20-I61 HydrophobicContact CD1-CD1 3.97Å; I20-I61 HydrophobicContact CD1-CG1 4.39Å; I20-L101 HydrophobicContact CG1-CD2 4.14Å
21S89.4Confident87.8Confident70 Ų7065.5 Ų65.549%0.4933%0.334SS..Hα-helixtrans-63.3-40176.978.70000112.6L17 K18 A19 L23 N24L17-S21 PolarHBondContact O-N 3.3Å; K18-S21 PolarHBondContact O-N 3.45Å; K18-S21 PolarHBondContact O-OG 2.63Å; A19-S21 VanDerWaalsContact C-N 3.31Å; A19-S21 PolarHBondContact O-N 3.18Å; S21-L23 VanDerWaalsContact C-N 3.3Å; S21-L23 PolarHBondContact O-N 3.39Å; S21-N24 WeakPolarHBondContact O-CA 3.29Å; S21-N24 PolarHBondContact O-N 2.94Å
22D91.3Very high88.2Confident68 Ų6859.2 Ų59.236%0.36430%0.3SS..Hα-helixtrans-63.6-35.6174.9-85.44.7000112.2K18 A19 I20 N24 K103 Y104K18-D22 PolarHBondContact O-N 3.1Å; K18-D22 VanDerWaalsContact O-N 3.1Å; A19-D22 WeakPolarHBondContact O-CB 3.1Å; A19-D22 PolarHBondContact O-N 2.99Å; I20-D22 PolarHBondContact O-N 3.41Å; D22-N24 PolarHBondContact O-N 3.45Å; D22-N24 PolarHBondContact O-ND2 3.37Å; D22-N24 VanDerWaalsContact O-ND2 3.12Å; D22-K103 IonicContact OD2-NZ 3.54Å; D22-K103 PolarHBondContact OD2-NZ 3.1Å; D22-Y104 PolarHBondContact OD2-OH 3.42Å
23L87Confident88.3Confident57 Ų5760.6 Ų60.630%0.29831%0.306SS..THydrogen-bonded Turntrans-73-5.8175.5-68172.4000113A19 I20 S21 W25 C100 L101A19-L23 WeakPolarHBondContact O-CG 3.47Å; A19-L23 PolarHBondContact O-N 2.94Å; A19-L23 VanDerWaalsContact O-N 3.1Å; I20-L23 PolarHBondContact O-N 3.01Å; S21-L23 VanDerWaalsContact C-N 3.3Å; S21-L23 PolarHBondContact O-N 3.39Å; L23-W25 VanDerWaalsContact C-N 3.3Å; L23-W25 HydrophobicContact CB-CD2 4.15Å; L23-W25 HydrophobicContact CB-CG 4.26Å; L23-W25 HydrophobicContact CB-CZ2 4.45Å; L23-W25 HydrophobicContact CD1-CD2 4.47Å; L23-W25 HydrophobicContact CD1-CE3 4.47Å; L23-W25 HydrophobicContact CD1-CH2 3.81Å; L23-W25 HydrophobicContact CD1-CZ2 3.83Å; L23-W25 HydrophobicContact CD1-CZ3 4.16Å; L23-W25 PolarHBondContact O-N 2.91Å; L23-C100 HydrophobicContact CD1-CB 4.44Å; L23-C100 HydrophobicContact CD2-CB 4.17Å; L23-L101 HydrophobicContact CD1-CD2 3.85Å; L23-L101 HydrophobicContact CD1-CG 4.49Å
24N86.6Confident88.3Confident106 Ų10659.8 Ų59.857%0.56730%0.304SS*.THydrogen-bonded Turntrans59.734.1-177.5-52.9-95.4000113.4I20 S21 D22 V26I20-N24 PolarHBondContact O-N 2.94Å; S21-N24 WeakPolarHBondContact O-CA 3.29Å; S21-N24 PolarHBondContact O-N 2.94Å; D22-N24 PolarHBondContact O-N 3.45Å; D22-N24 PolarHBondContact O-ND2 3.37Å; D22-N24 VanDerWaalsContact O-ND2 3.12Å; N24-V26 PolarHBondContact O-N 3Å
25W85.2Confident88.4Confident90 Ų9051.9 Ų51.934%0.34127%0.267SS..  trans-84.5105.7173.3-63.8-10.3000109.6F7 I20 L23 A57 I61 L101F7-W25 HydrophobicContact CE2-CB 4.01Å; F7-W25 HydrophobicContact CZ-CB 4.39Å; F7-W25 HydrophobicContact CZ-CE3 4.44Å; I20-W25 HydrophobicContact CG1-CE3 4.28Å; I20-W25 HydrophobicContact CG2-CB 3.89Å; I20-W25 HydrophobicContact CG2-CE3 4.19Å; I20-W25 PolarHBondContact O-N 3.22Å; L23-W25 VanDerWaalsContact C-N 3.3Å; L23-W25 HydrophobicContact CB-CD2 4.15Å; L23-W25 HydrophobicContact CB-CG 4.26Å; L23-W25 HydrophobicContact CB-CZ2 4.45Å; L23-W25 HydrophobicContact CD1-CD2 4.47Å; L23-W25 HydrophobicContact CD1-CE3 4.47Å; L23-W25 HydrophobicContact CD1-CH2 3.81Å; L23-W25 HydrophobicContact CD1-CZ2 3.83Å; L23-W25 HydrophobicContact CD1-CZ3 4.16Å; L23-W25 PolarHBondContact O-N 2.91Å; W25-A57 HydrophobicContact CH2-CB 3.62Å; W25-A57 HydrophobicContact CZ3-CB 3.62Å; W25-I61 HydrophobicContact CZ3-CD1 4.37Å; W25-L101 HydrophobicContact CH2-CD2 4.22Å; W25-L101 HydrophobicContact CZ3-CD2 3.92Å
26V83.4Confident88.5Confident126 Ų12648.7 Ų48.776%0.76426%0.255SS*.  trans-79.3-45.5-176.2-176.20000111.3N24N24-V26 PolarHBondContact O-N 3Å
27K86Confident88.5Confident127 Ų12751.3 Ų51.355%0.55227%0.271SS*.SBendtrans-127144.4-178.8-67.9-162.8169.5-149.90111D5D5-K27 IonicContact OD1-NZ 3.69Å; D5-K27 PolarHBondContact OD1-NZ 3.17Å
28P87.3Confident88.5Confident6 Ų651 Ų514%0.03927%0.27CS..  trans-67.1141.5171.328.2-32.4000110.3V4 F7 Q32 Q33V4-P28 WeakPolarHBondContact O-CG 3.25Å; F7-P28 HydrophobicContact CD1-CB 4.26Å; F7-P28 HydrophobicContact CE1-CB 3.75Å; F7-P28 HydrophobicContact CE2-CB 4.2Å; F7-P28 VanDerWaalsContact CZ-CA 3.45Å; F7-P28 HydrophobicContact CZ-CB 3.73Å; P28-Q32 HydrophobicContact CB-CB 4.17Å; P28-Q33 HydrophobicContact CB-CG 3.88Å; P28-Q33 HydrophobicContact CG-CG 3.68Å; P28-Q33 PolarHBondContact O-NE2 3.22Å; P28-Q33 VanDerWaalsContact O-NE2 3.12Å
29T85.6Confident88.6Confident53 Ų5345.8 Ų45.833%0.32525%0.247SC..  trans-70.5157.5174.663.40000110.8I31 Q32 Q33 S53T29-I31 PolarHBondContact O-N 2.87Å; T29-I31 VanDerWaalsContact O-N 3.12Å; T29-I31 WeakPolarHBondContact OG1-CG2 3.31Å; T29-Q32 WeakPolarHBondContact O-CA 3.42Å; T29-Q32 WeakPolarHBondContact O-CB 3.31Å; T29-Q32 PolarHBondContact O-N 3.22Å; T29-Q32 WeakPolarHBondContact OG1-CG 3.37Å; T29-Q32 PolarHBondContact OG1-NE2 3.22Å; T29-Q33 PolarHBondContact O-N 3.23Å; T29-S53 WeakPolarHBondContact CB-O 3.41Å; T29-S53 PolarHBondContact OG1-O 3.12Å
30D85.5Confident88.6Confident109 Ų10948.6 Ų48.658%0.58326%0.26SS*.Hα-helixtrans-54.8-37.9-177.4-51.4-35.7000112Q33 A34 L217D30-Q33 PolarHBondContact O-N 3.06Å; D30-A34 PolarHBondContact O-N 3.45Å; D30-A34 VanDerWaalsContact O-N 3.1Å; D30-L217 HydrophobicContact CB-CD1 4.18Å; D30-L217 HydrophobicContact CB-CD2 3.68Å
31I87.2Confident88.5Confident1 Ų151.1 Ų51.11%0.00528%0.281CS..Hα-helixtrans-68.9-35.3175.9-156.560.8000112.5T29 V35 V47 A49 S53 A58 V215 L217T29-I31 PolarHBondContact O-N 2.87Å; T29-I31 VanDerWaalsContact O-N 3.12Å; T29-I31 WeakPolarHBondContact OG1-CG2 3.31Å; I31-V35 HydrophobicContact CD1-CG2 4.16Å; I31-V35 HydrophobicContact CG1-CG2 4.08Å; I31-V35 VanDerWaalsContact O-CB 3.23Å; I31-V35 WeakPolarHBondContact O-CB 3.48Å; I31-V35 WeakPolarHBondContact O-CG2 3.28Å; I31-V35 PolarHBondContact O-N 3.11Å; I31-V47 HydrophobicContact CD1-CG1 3.47Å; I31-V47 VanDerWaalsContact CD1-CG1 3.47Å; I31-V47 HydrophobicContact CG1-CG1 3.66Å; I31-A49 HydrophobicContact CD1-CB 4Å; I31-A49 HydrophobicContact CG1-CB 3.91Å; I31-S53 WeakPolarHBondContact CG2-O 3.48Å; I31-A58 HydrophobicContact CG2-CB 4.44Å; I31-V215 HydrophobicContact CD1-CG1 4.12Å; I31-L217 HydrophobicContact CB-CD1 4.19Å; I31-L217 HydrophobicContact CD1-CD1 4.1Å; I31-L217 HydrophobicContact CD1-CG 4.2Å
32Q90Very high88.4Confident8 Ų854.3 Ų54.34%0.03729%0.286CS..Hα-helixtrans-67.3-42.9175.6-70.8165.14.900110.6P28 T29 A34 V35 I36 G54 A58P28-Q32 HydrophobicContact CB-CB 4.17Å; T29-Q32 WeakPolarHBondContact O-CA 3.42Å; T29-Q32 WeakPolarHBondContact O-CB 3.31Å; T29-Q32 PolarHBondContact O-N 3.22Å; T29-Q32 WeakPolarHBondContact OG1-CG 3.37Å; T29-Q32 PolarHBondContact OG1-NE2 3.22Å; Q32-A34 VanDerWaalsContact C-N 3.31Å; Q32-A34 PolarHBondContact O-N 3.16Å; Q32-V35 PolarHBondContact O-N 3.02Å; Q32-I36 HydrophobicContact CB-CD1 3.94Å; Q32-I36 VanDerWaalsContact O-CB 3.29Å; Q32-I36 WeakPolarHBondContact O-CB 3.4Å; Q32-I36 WeakPolarHBondContact O-CD1 3.43Å; Q32-I36 WeakPolarHBondContact O-CG1 3.28Å; Q32-I36 PolarHBondContact O-N 3.12Å; Q32-G54 PolarHBondContact NE2-O 2.81Å; Q32-A58 HydrophobicContact CB-CB 4.45Å; Q32-A58 HydrophobicContact CG-CB 3.83Å
33Q88.3Confident88.3Confident42 Ų4256.1 Ų56.120%0.19629%0.291CS..Hα-helixtrans-60.6-41.2177.3-64.6178.621.800111.9V4 P28 T29 D30 P37V4-Q33 VanDerWaalsContact O-CD 3.27Å; V4-Q33 PolarHBondContact O-NE2 3.46Å; P28-Q33 HydrophobicContact CB-CG 3.88Å; P28-Q33 HydrophobicContact CG-CG 3.68Å; P28-Q33 PolarHBondContact O-NE2 3.22Å; P28-Q33 VanDerWaalsContact O-NE2 3.12Å; T29-Q33 PolarHBondContact O-N 3.23Å; D30-Q33 PolarHBondContact O-N 3.06Å; Q33-P37 WeakPolarHBondContact O-CD 3.43Å; Q33-P37 WeakPolarHBondContact O-CG 3.49Å
34A87.9Confident88.5Confident15 Ų1553.9 Ų53.912%0.12428%0.28CS..Hα-helixtrans-74.3-41.6179.600000113.1D30 Q32 L38 V215D30-A34 PolarHBondContact O-N 3.45Å; D30-A34 VanDerWaalsContact O-N 3.1Å; Q32-A34 VanDerWaalsContact C-N 3.31Å; Q32-A34 PolarHBondContact O-N 3.16Å; A34-L38 VanDerWaalsContact O-CD1 3.3Å; A34-L38 WeakPolarHBondContact O-CD1 3.29Å; A34-L38 WeakPolarHBondContact O-CG 3.45Å; A34-V215 HydrophobicContact CB-CG1 3.81Å
35V91.4Very high88.7Confident0 Ų048.9 Ų48.90%025%0.253CS..Hα-helixtrans-82.3-40.6-171.2172.80000112.4I31 Q32 L38 V39 L45 V47 A58 M191 V215I31-V35 HydrophobicContact CD1-CG2 4.16Å; I31-V35 HydrophobicContact CG1-CG2 4.08Å; I31-V35 VanDerWaalsContact O-CB 3.23Å; I31-V35 WeakPolarHBondContact O-CB 3.48Å; I31-V35 WeakPolarHBondContact O-CG2 3.28Å; I31-V35 PolarHBondContact O-N 3.11Å; Q32-V35 PolarHBondContact O-N 3.02Å; V35-L38 WeakPolarHBondContact O-CB 3.5Å; V35-L38 PolarHBondContact O-N 2.87Å; V35-L38 VanDerWaalsContact O-N 3.09Å; V35-V39 HydrophobicContact CG1-CG2 3.74Å; V35-V39 WeakPolarHBondContact O-CG2 3.4Å; V35-V39 PolarHBondContact O-N 3.43Å; V35-L45 HydrophobicContact CG1-CD1 4.07Å; V35-V47 HydrophobicContact CG1-CG2 4.42Å; V35-V47 HydrophobicContact CG2-CB 4.39Å; V35-V47 HydrophobicContact CG2-CG1 3.78Å; V35-V47 HydrophobicContact CG2-CG2 3.63Å; V35-A58 HydrophobicContact CB-CB 4.12Å; V35-A58 HydrophobicContact CG1-CB 4.17Å; V35-M191 HydrophobicContact CG1-CE 4.13Å; V35-V215 HydrophobicContact CG2-CG1 4.33Å
36I91.5Very high89Confident0 Ų044.9 Ų44.90%024%0.238CC..Hα-helixtrans-56.2-49.8-172.2-68169.7000112.5L10 Q32 L38 V39 F40 I61 P62L10-I36 HydrophobicContact CD1-CD1 3.79Å; L10-I36 HydrophobicContact CD1-CG2 4.21Å; L10-I36 HydrophobicContact CD2-CG2 4.39Å; Q32-I36 HydrophobicContact CB-CD1 3.94Å; Q32-I36 VanDerWaalsContact O-CB 3.29Å; Q32-I36 WeakPolarHBondContact O-CB 3.4Å; Q32-I36 WeakPolarHBondContact O-CD1 3.43Å; Q32-I36 WeakPolarHBondContact O-CG1 3.28Å; Q32-I36 PolarHBondContact O-N 3.12Å; I36-L38 VanDerWaalsContact C-N 3.29Å; I36-L38 PolarHBondContact O-N 2.96Å; I36-V39 PolarHBondContact O-N 2.79Å; I36-F40 HydrophobicContact CG2-CD2 4.01Å; I36-F40 HydrophobicContact CG2-CE2 3.63Å; I36-F40 HydrophobicContact CG2-CZ 4.41Å; I36-F40 PolarHBondContact O-N 3.29Å; I36-I61 HydrophobicContact CD1-CD1 4.4Å; I36-I61 HydrophobicContact CD1-CG2 4.4Å; I36-P62 HydrophobicContact CG1-CG 4.42Å; I36-P62 HydrophobicContact CG2-CB 4.36Å
37P90.7Very high89.3Confident56 Ų5638.9 Ų38.936%0.36420%0.202SC..Hα-helixtrans-63.9-34.1179.1-21.834.4000113Q33 F40 A41Q33-P37 WeakPolarHBondContact O-CD 3.43Å; Q33-P37 WeakPolarHBondContact O-CG 3.49Å; P37-F40 PolarHBondContact O-N 2.75Å; P37-A41 PolarHBondContact O-N 3.41Å; P37-A41 VanDerWaalsContact O-N 3.1Å
38L91.3Very high89.3Confident22 Ų2234.6 Ų34.612%0.11518%0.184CC..Hα-helixtrans-71.1-32.9179.7-64.6176.4000112.1A34 V35 I36 A41 K43 L45 V213 V215A34-L38 VanDerWaalsContact O-CD1 3.3Å; A34-L38 WeakPolarHBondContact O-CD1 3.29Å; A34-L38 WeakPolarHBondContact O-CG 3.45Å; V35-L38 WeakPolarHBondContact O-CB 3.5Å; V35-L38 PolarHBondContact O-N 2.87Å; V35-L38 VanDerWaalsContact O-N 3.09Å; I36-L38 VanDerWaalsContact C-N 3.29Å; I36-L38 PolarHBondContact O-N 2.96Å; L38-A41 PolarHBondContact O-N 2.67Å; L38-K43 PolarHBondContact O-N 3.12Å; L38-L45 HydrophobicContact CB-CD1 3.77Å; L38-L45 HydrophobicContact CB-CD2 3.68Å; L38-L45 HydrophobicContact CB-CG 4.39Å; L38-L45 HydrophobicContact CD1-CD2 4.17Å; L38-L45 HydrophobicContact CG-CD2 4.49Å; L38-V213 HydrophobicContact CD1-CG1 4.07Å; L38-V215 HydrophobicContact CD1-CG2 3.47Å; L38-V215 VanDerWaalsContact CD1-CG2 3.47Å
39V92Very high88.9Confident1 Ų134.3 Ų34.31%0.00618%0.182CC..Hα-helixtrans-68.3-44.3174.1179.40000110.4V35 I36 A41 K42 L45 P62 I63 Q187 I189V35-V39 HydrophobicContact CG1-CG2 3.74Å; V35-V39 WeakPolarHBondContact O-CG2 3.4Å; V35-V39 PolarHBondContact O-N 3.43Å; I36-V39 PolarHBondContact O-N 2.79Å; V39-A41 PolarHBondContact O-N 2.9Å; V39-K42 WeakPolarHBondContact O-CA 3.23Å; V39-K42 PolarHBondContact O-N 3.48Å; V39-L45 HydrophobicContact CG2-CD1 3.52Å; V39-P62 HydrophobicContact CB-CB 3.83Å; V39-P62 HydrophobicContact CB-CG 3.63Å; V39-P62 HydrophobicContact CG1-CB 3.69Å; V39-P62 HydrophobicContact CG1-CG 3.62Å; V39-P62 HydrophobicContact CG2-CG 4.02Å; V39-I63 HydrophobicContact CG1-CG1 4.37Å; V39-Q187 PolarHBondContact O-NE2 3.43Å; V39-Q187 VanDerWaalsContact O-NE2 3.14Å; V39-I189 HydrophobicContact CG1-CD1 4.06Å; V39-I189 HydrophobicContact CG2-CD1 3.81Å
40F90.8Very high88.3Confident58 Ų5835.3 Ų35.325%0.25418%0.182SC..Hα-helixtrans-60.6-32.7174.9-74.2-42.2000113.3L12 I36 P37 K42 P62 N65 D66L12-F40 HydrophobicContact CD2-CE2 4.02Å; L12-F40 HydrophobicContact CD2-CZ 3.69Å; I36-F40 HydrophobicContact CG2-CD2 4.01Å; I36-F40 HydrophobicContact CG2-CE2 3.63Å; I36-F40 HydrophobicContact CG2-CZ 4.41Å; I36-F40 PolarHBondContact O-N 3.29Å; P37-F40 PolarHBondContact O-N 2.75Å; F40-K42 PolarHBondContact O-N 2.66Å; F40-K42 VanDerWaalsContact O-N 3.16Å; F40-P62 HydrophobicContact CD1-CB 3.96Å; F40-P62 HydrophobicContact CE1-CB 3.66Å; F40-P62 HydrophobicContact CE2-CB 4.34Å; F40-P62 HydrophobicContact CG-CB 4.4Å; F40-P62 HydrophobicContact CZ-CB 3.87Å; F40-N65 HydrophobicContact CE1-CB 3.98Å; F40-N65 WeakPolarHBondContact CE1-ND2 3.36Å; F40-N65 HydrophobicContact CZ-CB 4.05Å; F40-D66 VanDerWaalsContact CD1-OD1 3.31Å; F40-D66 WeakPolarHBondContact CD1-OD1 3.43Å; F40-D66 VanDerWaalsContact CE1-OD1 3.31Å; F40-D66 WeakPolarHBondContact CE1-OD1 3.17Å
41A88.9Confident87.6Confident58 Ų5831.4 Ų31.448%0.47916%0.162SC..THydrogen-bonded Turntrans-71.71.7172.600000114P37 L38 V39 K43P37-A41 PolarHBondContact O-N 3.41Å; P37-A41 VanDerWaalsContact O-N 3.1Å; L38-A41 PolarHBondContact O-N 2.67Å; V39-A41 PolarHBondContact O-N 2.9Å; A41-K43 HydrophobicContact CB-CD 4.47Å; A41-K43 HydrophobicContact CB-CG 4.17Å; A41-K43 PolarHBondContact O-N 3.46Å
42K88Confident86.8Confident138 Ų13833.8 Ų33.860%0.619%0.187SC*.THydrogen-bonded Turntrans57.626.6179.3-57-175.3179.9-176.70114.3V39 F40V39-K42 WeakPolarHBondContact O-CA 3.23Å; V39-K42 PolarHBondContact O-N 3.48Å; F40-K42 PolarHBondContact O-N 2.66Å; F40-K42 VanDerWaalsContact O-N 3.16Å
43K88.8Confident86.1Confident105 Ų10534 Ų3446%0.45719%0.189SC..  trans-81152.8178-64.1-172.7179.9-177.40111.3L38 A41 L45 Q187 V213L38-K43 PolarHBondContact O-N 3.12Å; A41-K43 HydrophobicContact CB-CD 4.47Å; A41-K43 HydrophobicContact CB-CG 4.17Å; A41-K43 PolarHBondContact O-N 3.46Å; K43-L45 HydrophobicContact CB-CD2 4.03Å; K43-Q187 WeakPolarHBondContact O-CG 3.15Å; K43-Q187 PolarHBondContact O-NE2 3.05Å; K43-V213 HydrophobicContact CB-CG2 4.28Å; K43-V213 HydrophobicContact CD-CG2 3.88Å
44C91.1Very high85.7Confident11 Ų1133.1 Ų33.17%0.07419%0.191CC..EExtended strand (participates in β ladder)trans-80.7128.6171.8-69.30000109.7A188 A210 W212 V213C44-A188 CarbonylContact C-O 3.49Å; C44-A188 VanDerWaalsContact CA-O 3.29Å; C44-A188 WeakPolarHBondContact CA-O 3.34Å; C44-A188 PolarHBondContact SG-N 2.84Å; C44-A210 HydrophobicContact CB-CB 4Å; C44-W212 HydrophobicContact CB-CD2 4.08Å; C44-W212 HydrophobicContact CB-CE3 3.76Å; C44-W212 HydrophobicContact CB-CZ3 4.05Å; C44-W212 WeakPolarHBondContact O-CA 3.34Å; C44-V213 PolarHBondContact O-N 2.84Å
45L91.9Very high85.6Confident0 Ų032.9 Ų32.90%019%0.187CC..EExtended strand (participates in β ladder)trans-121.7147.1-166.9-53.3-177000112.3V35 L38 V39 K43 V47 A188 I189 L190 V213V35-L45 HydrophobicContact CG1-CD1 4.07Å; L38-L45 HydrophobicContact CB-CD1 3.77Å; L38-L45 HydrophobicContact CB-CD2 3.68Å; L38-L45 HydrophobicContact CB-CG 4.39Å; L38-L45 HydrophobicContact CD1-CD2 4.17Å; L38-L45 HydrophobicContact CG-CD2 4.49Å; V39-L45 HydrophobicContact CG2-CD1 3.52Å; K43-L45 HydrophobicContact CB-CD2 4.03Å; L45-V47 HydrophobicContact CB-CG2 4.2Å; L45-A188 PolarHBondContact N-O 2.87Å; L45-I189 HydrophobicContact CB-CG2 4.47Å; L45-L190 PolarHBondContact O-N 2.93Å; L45-V213 HydrophobicContact CD2-CB 3.86Å; L45-V213 HydrophobicContact CD2-CG2 4.4Å
46I90.5Very high85.5Confident6 Ų633.8 Ų33.83%0.03119%0.193CC..EExtended strand (participates in β ladder)trans-130.9109.9172-50-172.5000106.7L190 R203 W212 V213 V215I46-L190 WeakPolarHBondContact CA-O 3.4Å; I46-L190 HydrophobicContact CD1-CD1 4.43Å; I46-L190 HydrophobicContact CG1-CB 4.46Å; I46-L190 HydrophobicContact CG1-CD1 4.46Å; I46-R203 VanDerWaalsContact CD1-CD 3.43Å; I46-R203 HydrophobicContact CD1-CG 3.91Å; I46-R203 VanDerWaalsContact CD1-NH2 3.25Å; I46-W212 HydrophobicContact CD1-CB 4.07Å; I46-W212 HydrophobicContact CD1-CD2 3.84Å; I46-W212 HydrophobicContact CD1-CE3 3.48Å; I46-W212 VanDerWaalsContact CD1-CE3 3.48Å; I46-W212 HydrophobicContact CD1-CG 4.13Å; I46-W212 HydrophobicContact CD1-CZ3 4.11Å; I46-W212 HydrophobicContact CG1-CB 4.48Å; I46-W212 HydrophobicContact CG1-CD2 4.15Å; I46-W212 HydrophobicContact CG1-CE3 3.31Å; I46-W212 HydrophobicContact CG1-CZ3 3.82Å; I46-V213 PolarHBondContact N-O 3.29Å; I46-V215 PolarHBondContact O-N 3.34Å
47V89.8Confident85.5Confident0 Ų034.1 Ų34.10%020%0.196CC..EExtended strand (participates in β ladder)trans-111.3113.9-170.8-1760000107.2I31 V35 L45 L190 M191 S192 V215I31-V47 HydrophobicContact CD1-CG1 3.47Å; I31-V47 VanDerWaalsContact CD1-CG1 3.47Å; I31-V47 HydrophobicContact CG1-CG1 3.66Å; V35-V47 HydrophobicContact CG1-CG2 4.42Å; V35-V47 HydrophobicContact CG2-CB 4.39Å; V35-V47 HydrophobicContact CG2-CG1 3.78Å; V35-V47 HydrophobicContact CG2-CG2 3.63Å; L45-V47 HydrophobicContact CB-CG2 4.2Å; V47-L190 PolarHBondContact N-O 3.14Å; V47-M191 HydrophobicContact CB-CE 3.99Å; V47-M191 HydrophobicContact CB-SD 3.46Å; V47-M191 WeakPolarHBondContact CB-SD 3.2Å; V47-M191 HydrophobicContact CG1-CE 4.32Å; V47-M191 HydrophobicContact CG1-SD 3.66Å; V47-M191 HydrophobicContact CG2-CE 3.68Å; V47-M191 HydrophobicContact CG2-SD 3.89Å; V47-S192 PolarHBondContact O-N 2.89Å; V47-V215 HydrophobicContact CG2-CB 4.45Å
48H86.2Confident85.5Confident38 Ų3831.5 Ų31.518%0.17618%0.178CC..EExtended strand (participates in β ladder)trans-96.6112.3172.6-17581.5000108.5S192 A193 V215 E216H48-S192 WeakPolarHBondContact CA-O 3.37Å; H48-A193 VanDerWaalsContact CE1-C 3.42Å; H48-A193 PolarHBondContact CE1-O 2.88Å; H48-V215 PolarHBondContact N-O 3.28Å; H48-E216 HydrophobicContact CB-CG 4.14Å
49A79.8Confident85.6Confident0 Ų030.5 Ų30.50%017%0.173CC..  trans-155.3147.1175.700000112I31 S53 K55 S192I31-A49 HydrophobicContact CD1-CB 4Å; I31-A49 HydrophobicContact CG1-CB 3.91Å; A49-S53 WeakPolarHBondContact CB-OG 3.09Å; A49-K55 HydrophobicContact CB-CD 3.98Å; A49-K55 HydrophobicContact CB-CG 4.02Å; A49-K55 WeakPolarHBondContact O-CD 3.47Å; A49-K55 WeakPolarHBondContact O-CE 3.27Å; A49-K55 PolarHBondContact O-NZ 3.33Å; A49-S192 PolarHBondContact N-O 2.92Å
50K73.1Confident85.7Confident74 Ų7430.6 Ų30.632%0.32217%0.174SC..  trans-64.5159.1177.571.6-169.4-178.8-137.50113G52 S53 K55 E220K50-G52 PolarHBondContact O-N 3.36Å; K50-S53 WeakPolarHBondContact O-CB 3.36Å; K50-S53 PolarHBondContact O-N 3.48Å; K50-S53 PolarHBondContact O-OG 3.12Å; K50-K55 WeakPolarHBondContact O-CE 3.33Å; K50-E220 WeakPolarHBondContact CD-OE1 3.4Å; K50-E220 WeakPolarHBondContact CE-OE1 3.46Å; K50-E220 WeakPolarHBondContact CG-OE2 3.36Å; K50-E220 PolarHBondContact N-OE2 2.84Å; K50-E220 IonicContact NZ-OE1 3.13Å; K50-E220 PolarHBondContact NZ-OE1 2.96Å
51T70.3Confident85.8Confident27 Ų2727.8 Ų27.817%0.16616%0.162CC..THydrogen-bonded Turntrans-61.5133.5172.757.50000110.8E162 R376T51-E162 WeakPolarHBondContact CG2-OE1 3.36Å; T51-R376 PolarHBondContact OG1-NH2 2.85Å
52G70Confident86Confident50 Ų5025 Ų2552%0.51514%0.139SC..THydrogen-bonded Turntrans89.21.1-178.700000115.4K50 G54K50-G52 PolarHBondContact O-N 3.36Å; G52-G54 PolarHBondContact O-N 3.48Å
53S75.1Confident86.2Confident14 Ų1419 Ų1910%0.09811%0.113CC..SBendtrans-71.4-7.4171.753.90000114T29 I31 A49 K50 K55T29-S53 WeakPolarHBondContact CB-O 3.41Å; T29-S53 PolarHBondContact OG1-O 3.12Å; I31-S53 WeakPolarHBondContact CG2-O 3.48Å; A49-S53 WeakPolarHBondContact CB-OG 3.09Å; K50-S53 WeakPolarHBondContact O-CB 3.36Å; K50-S53 PolarHBondContact O-N 3.48Å; K50-S53 PolarHBondContact O-OG 3.12Å; S53-K55 WeakPolarHBondContact OG-CG 3.37Å
54G80.7Confident86.4Confident23 Ų2314.1 Ų14.124%0.2379%0.092CC..SBendtrans92.820.3-177.700000114.7Q32 G52 T56 A57 A58Q32-G54 PolarHBondContact NE2-O 2.81Å; G52-G54 PolarHBondContact O-N 3.48Å; G54-T56 VanDerWaalsContact C-N 3.3Å; G54-T56 PolarHBondContact O-N 3.33Å; G54-A57 PolarHBondContact O-N 3.49Å; G54-A57 VanDerWaalsContact O-N 3.13Å; G54-A58 PolarHBondContact O-N 3.22Å; G54-A58 VanDerWaalsContact O-N 3.09Å
55K86.1Confident86.4Confident10 Ų1013.8 Ų13.84%0.0439%0.09CC..Hα-helixtrans-45.7-47.9178.3-64.7-171.5-89-175.70113.6A49 K50 S53 A57 A58 F59 E162 M191A49-K55 HydrophobicContact CB-CD 3.98Å; A49-K55 HydrophobicContact CB-CG 4.02Å; A49-K55 WeakPolarHBondContact O-CD 3.47Å; A49-K55 WeakPolarHBondContact O-CE 3.27Å; A49-K55 PolarHBondContact O-NZ 3.33Å; K50-K55 WeakPolarHBondContact O-CE 3.33Å; S53-K55 WeakPolarHBondContact OG-CG 3.37Å; K55-A57 PolarHBondContact O-N 3.01Å; K55-A58 WeakPolarHBondContact O-CB 3.02Å; K55-A58 PolarHBondContact O-N 2.9Å; K55-A58 VanDerWaalsContact O-N 3.09Å; K55-F59 WeakPolarHBondContact O-CD1 3.38Å; K55-F59 PolarHBondContact O-N 3.42Å; K55-E162 IonicContact NZ-OE1 3.5Å; K55-E162 PolarHBondContact NZ-OE1 3.45Å; K55-M191 HydrophobicContact CB-SD 4.14Å; K55-M191 HydrophobicContact CD-CB 4.42Å; K55-M191 HydrophobicContact CD-SD 4.5Å; K55-M191 HydrophobicContact CG-SD 4.39Å
56T89Confident86.3Confident19 Ų1915.1 Ų15.112%0.11710%0.097CC..Hα-helixtrans-59-44.9-178.2-46.60000112.6G54 A58 F59 A60 V94 N97G54-T56 VanDerWaalsContact C-N 3.3Å; G54-T56 PolarHBondContact O-N 3.33Å; T56-A58 VanDerWaalsContact C-N 3.33Å; T56-F59 VanDerWaalsContact CA-CE1 3.45Å; T56-F59 HydrophobicContact CG2-CE1 4.38Å; T56-F59 HydrophobicContact CG2-CZ 3.9Å; T56-A60 WeakPolarHBondContact O-CB 3.31Å; T56-A60 PolarHBondContact O-N 3.02Å; T56-V94 HydrophobicContact CG2-CB 4.38Å; T56-V94 HydrophobicContact CG2-CG1 4.18Å; T56-V94 HydrophobicContact CG2-CG2 4.05Å; T56-N97 HydrophobicContact CG2-CB 3.92Å
57A90.6Very high86.3Confident7 Ų715.1 Ų15.16%0.05810%0.097CC..Hα-helixtrans-70.8-31.4177.800000112.1W25 G54 K55 F59 A60 I61W25-A57 HydrophobicContact CH2-CB 3.62Å; W25-A57 HydrophobicContact CZ3-CB 3.62Å; G54-A57 PolarHBondContact O-N 3.49Å; G54-A57 VanDerWaalsContact O-N 3.13Å; K55-A57 PolarHBondContact O-N 3.01Å; A57-F59 VanDerWaalsContact C-N 3.33Å; A57-F59 PolarHBondContact O-N 3.47Å; A57-A60 PolarHBondContact O-N 3.49Å; A57-I61 HydrophobicContact CB-CD1 4.16Å; A57-I61 WeakPolarHBondContact O-CB 3.29Å; A57-I61 WeakPolarHBondContact O-CD1 3.41Å; A57-I61 VanDerWaalsContact O-CG1 3.24Å; A57-I61 WeakPolarHBondContact O-CG1 3.31Å; A57-I61 PolarHBondContact O-N 3.03Å
58A91.8Very high86.2Confident0 Ų015.1 Ų15.10%010%0.097CC..Hα-helixtrans-61.2-38-179.700000113I31 Q32 V35 G54 K55 T56 P62I31-A58 HydrophobicContact CG2-CB 4.44Å; Q32-A58 HydrophobicContact CB-CB 4.45Å; Q32-A58 HydrophobicContact CG-CB 3.83Å; V35-A58 HydrophobicContact CB-CB 4.12Å; V35-A58 HydrophobicContact CG1-CB 4.17Å; G54-A58 PolarHBondContact O-N 3.22Å; G54-A58 VanDerWaalsContact O-N 3.09Å; K55-A58 WeakPolarHBondContact O-CB 3.02Å; K55-A58 PolarHBondContact O-N 2.9Å; K55-A58 VanDerWaalsContact O-N 3.09Å; T56-A58 VanDerWaalsContact C-N 3.33Å; A58-P62 VanDerWaalsContact O-CD 3.27Å; A58-P62 WeakPolarHBondContact O-CD 3.45Å; A58-P62 WeakPolarHBondContact O-CG 3.32Å
59F93.2Very high86.3Confident1 Ų117.8 Ų17.80%0.00411%0.109CC..Hα-helixtrans-89.9-35.2171.767.3-105.3000113.2K55 T56 A57 P62 I63 V83 V94 V159 I189 M191K55-F59 WeakPolarHBondContact O-CD1 3.38Å; K55-F59 PolarHBondContact O-N 3.42Å; T56-F59 VanDerWaalsContact CA-CE1 3.45Å; T56-F59 HydrophobicContact CG2-CE1 4.38Å; T56-F59 HydrophobicContact CG2-CZ 3.9Å; A57-F59 VanDerWaalsContact C-N 3.33Å; A57-F59 PolarHBondContact O-N 3.47Å; F59-P62 WeakPolarHBondContact O-CD 3.41Å; F59-P62 WeakPolarHBondContact O-CG 3.14Å; F59-I63 HydrophobicContact CB-CD1 4.29Å; F59-I63 HydrophobicContact CD2-CD1 4.15Å; F59-I63 WeakPolarHBondContact O-CB 3.42Å; F59-I63 VanDerWaalsContact O-CD1 3.3Å; F59-I63 WeakPolarHBondContact O-CD1 3.33Å; F59-I63 WeakPolarHBondContact O-CG1 3.36Å; F59-I63 PolarHBondContact O-N 3.47Å; F59-V83 HydrophobicContact CE2-CG1 4.34Å; F59-V83 HydrophobicContact CE2-CG2 4.39Å; F59-V83 HydrophobicContact CZ-CG1 4.29Å; F59-V94 HydrophobicContact CE2-CG1 4.5Å; F59-V94 HydrophobicContact CZ-CG1 4.26Å; F59-V159 HydrophobicContact CD1-CG1 3.93Å; F59-V159 HydrophobicContact CD2-CG1 3.94Å; F59-V159 HydrophobicContact CD2-CG2 4.1Å; F59-V159 HydrophobicContact CE1-CG1 3.94Å; F59-V159 HydrophobicContact CE2-CG1 4.02Å; F59-V159 HydrophobicContact CG-CG1 3.91Å; F59-V159 HydrophobicContact CG-CG2 4.45Å; F59-V159 HydrophobicContact CZ-CG1 4.01Å; F59-I189 HydrophobicContact CB-CD1 4.4Å; F59-I189 HydrophobicContact CB-CG2 4.47Å; F59-M191 HydrophobicContact CB-CE 3.95Å; F59-M191 HydrophobicContact CD1-CE 3.89Å; F59-M191 HydrophobicContact CD1-CG 4.17Å; F59-M191 HydrophobicContact CD1-SD 4.45Å; F59-M191 HydrophobicContact CE1-CG 4.5Å; F59-M191 HydrophobicContact CG-CE 4.42Å
60A93.4Very high86.5Confident3 Ų319.7 Ų19.73%0.02512%0.118CC..Hα-helixtrans-67.9-41-17400000112.6T56 A57 I63 L64 I98 L101T56-A60 WeakPolarHBondContact O-CB 3.31Å; T56-A60 PolarHBondContact O-N 3.02Å; A57-A60 PolarHBondContact O-N 3.49Å; A60-I63 PolarHBondContact O-N 3.04Å; A60-L64 VanDerWaalsContact O-CB 3.29Å; A60-L64 WeakPolarHBondContact O-CB 3.3Å; A60-L64 WeakPolarHBondContact O-CG 3.42Å; A60-L64 PolarHBondContact O-N 2.85Å; A60-I98 HydrophobicContact CB-CG1 4.21Å; A60-L101 HydrophobicContact CB-CD1 3.88Å
61I93.1Very high86.9Confident0 Ų018.2 Ų18.20%011%0.112CC..Hα-helixtrans-57.3-56-179-69.2168.3000112.4F7 L12 I16 I20 W25 I36 A57 L64 N65 L101F7-I61 HydrophobicContact CE1-CD1 4Å; L12-I61 HydrophobicContact CD1-CG2 3.57Å; L12-I61 HydrophobicContact CD2-CG2 3.62Å; L12-I61 HydrophobicContact CG-CG2 4.24Å; I16-I61 HydrophobicContact CG2-CG2 4.38Å; I20-I61 HydrophobicContact CD1-CD1 3.97Å; I20-I61 HydrophobicContact CD1-CG1 4.39Å; W25-I61 HydrophobicContact CZ3-CD1 4.37Å; I36-I61 HydrophobicContact CD1-CD1 4.4Å; I36-I61 HydrophobicContact CD1-CG2 4.4Å; A57-I61 HydrophobicContact CB-CD1 4.16Å; A57-I61 WeakPolarHBondContact O-CB 3.29Å; A57-I61 WeakPolarHBondContact O-CD1 3.41Å; A57-I61 VanDerWaalsContact O-CG1 3.24Å; A57-I61 WeakPolarHBondContact O-CG1 3.31Å; A57-I61 PolarHBondContact O-N 3.03Å; I61-L64 PolarHBondContact O-N 3.42Å; I61-N65 WeakPolarHBondContact O-CB 3.3Å; I61-N65 PolarHBondContact O-N 2.98Å; I61-L101 HydrophobicContact CG1-CD1 4.34Å
62P93.2Very high87.4Confident0 Ų023 Ų230%013%0.132CC..Hα-helixtrans-66.6-39.3-178.323.7-33.4000111.9I36 V39 F40 A58 F59 L64 N65 D66I36-P62 HydrophobicContact CG1-CG 4.42Å; I36-P62 HydrophobicContact CG2-CB 4.36Å; V39-P62 HydrophobicContact CB-CB 3.83Å; V39-P62 HydrophobicContact CB-CG 3.63Å; V39-P62 HydrophobicContact CG1-CB 3.69Å; V39-P62 HydrophobicContact CG1-CG 3.62Å; V39-P62 HydrophobicContact CG2-CG 4.02Å; F40-P62 HydrophobicContact CD1-CB 3.96Å; F40-P62 HydrophobicContact CE1-CB 3.66Å; F40-P62 HydrophobicContact CE2-CB 4.34Å; F40-P62 HydrophobicContact CG-CB 4.4Å; F40-P62 HydrophobicContact CZ-CB 3.87Å; A58-P62 VanDerWaalsContact O-CD 3.27Å; A58-P62 WeakPolarHBondContact O-CD 3.45Å; A58-P62 WeakPolarHBondContact O-CG 3.32Å; F59-P62 WeakPolarHBondContact O-CD 3.41Å; F59-P62 WeakPolarHBondContact O-CG 3.14Å; P62-L64 PolarHBondContact O-N 2.99Å; P62-N65 WeakPolarHBondContact O-CB 3.47Å; P62-N65 PolarHBondContact O-N 3.39Å; P62-D66 PolarHBondContact O-N 3.16Å
63I92.9Very high87.7Confident11 Ų1128.9 Ų28.96%0.05614%0.144CC..Hα-helixtrans-60.7-46.3177.2-70.3173.4000111.3V39 F59 A60 N65 D66 L67 V81 V159 I189V39-I63 HydrophobicContact CG1-CG1 4.37Å; F59-I63 HydrophobicContact CB-CD1 4.29Å; F59-I63 HydrophobicContact CD2-CD1 4.15Å; F59-I63 WeakPolarHBondContact O-CB 3.42Å; F59-I63 VanDerWaalsContact O-CD1 3.3Å; F59-I63 WeakPolarHBondContact O-CD1 3.33Å; F59-I63 WeakPolarHBondContact O-CG1 3.36Å; F59-I63 PolarHBondContact O-N 3.47Å; A60-I63 PolarHBondContact O-N 3.04Å; I63-N65 VanDerWaalsContact C-N 3.31Å; I63-N65 PolarHBondContact O-N 3.31Å; I63-D66 PolarHBondContact O-N 3.1Å; I63-L67 HydrophobicContact CG2-CD1 4.19Å; I63-L67 VanDerWaalsContact O-CG 3.31Å; I63-L67 WeakPolarHBondContact O-CG 3.19Å; I63-L67 PolarHBondContact O-N 3.01Å; I63-V81 HydrophobicContact CD1-CG1 4.38Å; I63-V81 HydrophobicContact CG2-CB 4.31Å; I63-V81 HydrophobicContact CG2-CG1 3.97Å; I63-V81 HydrophobicContact CG2-CG2 3.48Å; I63-V81 VanDerWaalsContact CG2-CG2 3.48Å; I63-V159 HydrophobicContact CD1-CG2 3.59Å; I63-I189 HydrophobicContact CD1-CD1 4.33Å
64L92.5Very high87.6Confident2 Ų230.9 Ų30.91%0.0116%0.161CC..Hα-helixtrans-64.7-38.2178.3-70.3174.2000111.5I16 A60 I61 P62 L67 L68 I98 L101 C102 I109 I133I16-L64 HydrophobicContact CD1-CB 3.83Å; A60-L64 VanDerWaalsContact O-CB 3.29Å; A60-L64 WeakPolarHBondContact O-CB 3.3Å; A60-L64 WeakPolarHBondContact O-CG 3.42Å; A60-L64 PolarHBondContact O-N 2.85Å; I61-L64 PolarHBondContact O-N 3.42Å; P62-L64 PolarHBondContact O-N 2.99Å; L64-L67 PolarHBondContact O-N 3.17Å; L64-L68 VanDerWaalsContact O-CG 3.29Å; L64-L68 WeakPolarHBondContact O-CG 3.46Å; L64-L68 PolarHBondContact O-N 2.67Å; L64-I98 HydrophobicContact CD2-CG2 4.37Å; L64-L101 HydrophobicContact CD1-CB 3.68Å; L64-L101 HydrophobicContact CD1-CD1 4.17Å; L64-C102 WeakPolarHBondContact CD2-SG 3.46Å; L64-I109 HydrophobicContact CB-CD1 4.4Å; L64-I109 HydrophobicContact CD2-CD1 3.62Å; L64-I109 HydrophobicContact CD2-CG2 4.15Å; L64-I133 HydrophobicContact CD2-CD1 3.55Å
65N91.7Very high86.9Confident4 Ų438.9 Ų38.92%0.02120%0.195CC..Hα-helixtrans-62.9-45.9176.6-174.478.3000111.7L12 D13 I16 F40 I61 P62 I63 L68 Q69L12-N65 HydrophobicContact CD2-CB 4.45Å; D13-N65 PolarHBondContact N-OD1 3.29Å; I16-N65 HydrophobicContact CD1-CB 3.96Å; F40-N65 HydrophobicContact CE1-CB 3.98Å; F40-N65 WeakPolarHBondContact CE1-ND2 3.36Å; F40-N65 HydrophobicContact CZ-CB 4.05Å; I61-N65 WeakPolarHBondContact O-CB 3.3Å; I61-N65 PolarHBondContact O-N 2.98Å; P62-N65 WeakPolarHBondContact O-CB 3.47Å; P62-N65 PolarHBondContact O-N 3.39Å; I63-N65 VanDerWaalsContact C-N 3.31Å; I63-N65 PolarHBondContact O-N 3.31Å; N65-L68 PolarHBondContact O-N 2.94Å; N65-Q69 PolarHBondContact ND2-NE2 2.84Å; N65-Q69 WeakPolarHBondContact O-CG 3.41Å; N65-Q69 PolarHBondContact O-N 3.47Å
66D90.2Very high86.1Confident28 Ų2843.4 Ų43.415%0.1523%0.226CC..Hα-helixtrans-62.8-44.3177.7-72.3-1.3000111.3F40 P62 I63 L68 Q69 E70F40-D66 VanDerWaalsContact CD1-OD1 3.31Å; F40-D66 WeakPolarHBondContact CD1-OD1 3.43Å; F40-D66 VanDerWaalsContact CE1-OD1 3.31Å; F40-D66 WeakPolarHBondContact CE1-OD1 3.17Å; P62-D66 PolarHBondContact O-N 3.16Å; I63-D66 PolarHBondContact O-N 3.1Å; D66-L68 VanDerWaalsContact C-N 3.31Å; D66-L68 PolarHBondContact O-N 2.96Å; D66-Q69 PolarHBondContact O-N 2.7Å; D66-E70 VanDerWaalsContact O-CG 3.28Å; D66-E70 WeakPolarHBondContact O-CG 3.42Å; D66-E70 PolarHBondContact O-N 3.17Å
67L89.6Confident85.5Confident6 Ų647.1 Ų47.13%0.03124%0.242CC..Hα-helixtrans-60.4-39.4175-70.6175.9000112.4I63 L64 E70 K71 V81 D132 I133I63-L67 HydrophobicContact CG2-CD1 4.19Å; I63-L67 VanDerWaalsContact O-CG 3.31Å; I63-L67 WeakPolarHBondContact O-CG 3.19Å; I63-L67 PolarHBondContact O-N 3.01Å; L64-L67 PolarHBondContact O-N 3.17Å; L67-E70 PolarHBondContact O-N 3.15Å; L67-K71 WeakPolarHBondContact O-CB 3.39Å; L67-K71 VanDerWaalsContact O-CG 3.31Å; L67-K71 WeakPolarHBondContact O-CG 3.38Å; L67-K71 PolarHBondContact O-N 3.15Å; L67-V81 HydrophobicContact CD1-CG2 3.96Å; L67-V81 HydrophobicContact CD2-CG2 4.22Å; L67-V81 HydrophobicContact CG-CG2 4.34Å; L67-D132 HydrophobicContact CD1-CB 4.3Å; L67-I133 HydrophobicContact CD1-CD1 3.87Å; L67-I133 HydrophobicContact CD1-CG1 3.76Å
68L88.8Confident85.1Confident1 Ų148.2 Ų48.21%0.00525%0.249CC..Hα-helixtrans-65.6-39177.3-76.3179.8000112.6D13 I16 L64 N65 D66 Q72 A105 I109D13-L68 HydrophobicContact CB-CD1 4.01Å; I16-L68 HydrophobicContact CD1-CD1 3.91Å; I16-L68 HydrophobicContact CG1-CD1 3.99Å; L64-L68 VanDerWaalsContact O-CG 3.29Å; L64-L68 WeakPolarHBondContact O-CG 3.46Å; L64-L68 PolarHBondContact O-N 2.67Å; N65-L68 PolarHBondContact O-N 2.94Å; D66-L68 VanDerWaalsContact C-N 3.31Å; D66-L68 PolarHBondContact O-N 2.96Å; L68-Q72 WeakPolarHBondContact O-CG 3.49Å; L68-A105 HydrophobicContact CD1-CB 4.36Å; L68-A105 HydrophobicContact CD2-CB 4.07Å; L68-I109 HydrophobicContact CD2-CD1 3.69Å; L68-I109 HydrophobicContact CD2-CG1 3.81Å; L68-I109 HydrophobicContact CG-CD1 3.85Å; L68-I109 HydrophobicContact CG-CG1 4.46Å
69Q87.1Confident84.9Confident93 Ų9348.5 Ų48.544%0.43525%0.251SS..Hα-helixtrans-67.6-43176.2-69.7178.7-000111N65 D66 K71 Q72 F73N65-Q69 PolarHBondContact ND2-NE2 2.84Å; N65-Q69 WeakPolarHBondContact O-CG 3.41Å; N65-Q69 PolarHBondContact O-N 3.47Å; D66-Q69 PolarHBondContact O-N 2.7Å; Q69-K71 PolarHBondContact O-N 2.96Å; Q69-Q72 WeakPolarHBondContact O-CB 3.42Å; Q69-Q72 PolarHBondContact O-N 3.3Å; Q69-F73 WeakPolarHBondContact O-CD2 3.38Å
70E84.6Confident84.7Confident41 Ų4148.7 Ų48.719%0.19225%0.253CS..Hα-helixtrans-64.4-40.3179.1-71.3174.4-178.900112.4D66 L67 Q72 F73 A74 R156D66-E70 VanDerWaalsContact O-CG 3.28Å; D66-E70 WeakPolarHBondContact O-CG 3.42Å; D66-E70 PolarHBondContact O-N 3.17Å; L67-E70 PolarHBondContact O-N 3.15Å; E70-Q72 PolarHBondContact O-N 3.35Å; E70-F73 PolarHBondContact O-N 3.29Å; E70-A74 WeakPolarHBondContact O-CB 3.42Å; E70-A74 PolarHBondContact O-N 3.48Å; E70-R156 VanDerWaalsContact CD-CZ 3.42Å; E70-R156 IonicContact OE1-CZ 2.7Å; E70-R156 IonicContact OE1-NE 4Å; E70-R156 IonicContact OE1-NH1 2.9Å; E70-R156 PolarHBondContact OE1-NH1 3.17Å; E70-R156 IonicContact OE2-CZ 2.63Å; E70-R156 IonicContact OE2-NE 2.99Å; E70-R156 PolarHBondContact OE2-NE 2.96Å; E70-R156 IonicContact OE2-NH1 3.68Å; E70-R156 PolarHBondContact OE2-NH1 3.11Å; E70-R156 IonicContact OE2-NH2 3.44Å; E70-R156 PolarHBondContact OE2-NH2 2.89Å
71K82Confident84.7Confident43 Ų4348.8 Ų48.819%0.18725%0.253CS..THydrogen-bonded Turntrans-68.2-13.3177.6-75.4-166.3-177.3-1380114.8L67 Q69 F73 S108 D132L67-K71 WeakPolarHBondContact O-CB 3.39Å; L67-K71 VanDerWaalsContact O-CG 3.31Å; L67-K71 WeakPolarHBondContact O-CG 3.38Å; L67-K71 PolarHBondContact O-N 3.15Å; Q69-K71 PolarHBondContact O-N 2.96Å; K71-F73 PolarHBondContact O-N 3Å; K71-S108 WeakPolarHBondContact CD-O 3.28Å; K71-S108 WeakPolarHBondContact CE-O 3.27Å; K71-S108 PolarHBondContact NZ-O 3.12Å; K71-D132 WeakPolarHBondContact CE-OD1 3.27Å; K71-D132 VanDerWaalsContact CE-OD2 3.28Å; K71-D132 WeakPolarHBondContact CE-OD2 3.4Å; K71-D132 IonicContact NZ-OD1 2.81Å; K71-D132 PolarHBondContact NZ-OD1 2.96Å; K71-D132 IonicContact NZ-OD2 3.75Å; K71-D132 PolarHBondContact NZ-OD2 3.28Å
72Q80.1Confident84.8Confident127 Ų12748.9 Ų48.959%0.59325%0.253SS*.THydrogen-bonded Turntrans-67.7-25.8169.6-67.8174.42.300111.5L68 Q69 E70L68-Q72 WeakPolarHBondContact O-CG 3.49Å; Q69-Q72 WeakPolarHBondContact O-CB 3.42Å; Q69-Q72 PolarHBondContact O-N 3.3Å; E70-Q72 PolarHBondContact O-N 3.35Å
73F75.5Confident84.9Confident174 Ų17449 Ų4976%0.76325%0.254SS*.THydrogen-bonded Turntrans-112-25-176.6-56.1-75.7000113.5Q69 E70 K71Q69-F73 WeakPolarHBondContact O-CD2 3.38Å; E70-F73 PolarHBondContact O-N 3.29Å; K71-F73 PolarHBondContact O-N 3Å
74A72.7Confident84.9Confident55 Ų5548.5 Ų48.546%0.45525%0.252SS..  trans-81.5129.2-175.700000112.6E70E70-A74 WeakPolarHBondContact O-CB 3.42Å; E70-A74 PolarHBondContact O-N 3.48Å
75M66Low84.8Confident192 Ų19248.4 Ų48.495%0.94625%0.251SS*.  trans-87.7-25172.2-66.4-168.5176.500113.2
76C69.2Low84.5Confident104 Ų10448.2 Ų48.270%0.70325%0.25SS*.SBendtrans-104.4141.3-174.1-62.20000112
77Q77.3Confident84.2Confident98 Ų9846.9 Ų46.946%0.45824%0.243SC..  trans-83.8124.2171.6-60.4-65.8-36.300109.5N130Q77-N130 HydrophobicContact CB-CB 4.38Å
78S83.1Confident83.9Confident29 Ų2948.3 Ų48.320%0.20325%0.249CC..  trans-142.1139177.659.80000110.3S80S78-S80 PolarHBondContact O-N 3.34Å; S78-S80 PolarHBondContact O-OG 3.42Å; S78-S80 VanDerWaalsContact O-OG 3.06Å
79T86.7Confident83.6Confident6 Ų648.8 Ų48.84%0.03725%0.251CS..  trans-64.5110.7175.3-56.70000110.5V82 P131 I134 L152T79-V82 HydrophobicContact CG2-CG2 4.4Å; T79-P131 VanDerWaalsContact CA-O 3.26Å; T79-P131 WeakPolarHBondContact CA-O 3.15Å; T79-P131 WeakPolarHBondContact CB-O 3.43Å; T79-P131 PolarHBondContact OG1-O 2.97Å; T79-I134 HydrophobicContact CG2-CB 4.39Å; T79-I134 HydrophobicContact CG2-CD1 3.65Å; T79-I134 HydrophobicContact CG2-CG1 3.88Å; T79-L152 HydrophobicContact CG2-CD2 4.27Å
80S89.1Confident83.5Confident5 Ų544.9 Ų44.94%0.03523%0.233CC..  trans-104.2-23-173.6-61.30000112.1S78 D132 R156 C157S78-S80 PolarHBondContact O-N 3.34Å; S78-S80 PolarHBondContact O-OG 3.42Å; S78-S80 VanDerWaalsContact O-OG 3.06Å; S80-D132 PolarHBondContact N-O 3.13Å; S80-R156 PolarHBondContact O-N 2.85Å; S80-C157 PolarHBondContact O-N 3.22Å
81V94Very high83.7Confident5 Ų542.9 Ų42.93%0.0322%0.224CC..EExtended strand (participates in β ladder)trans-135.4133.5-174.4-175.80000111.5I63 L67 V83 D132 I133 I134 C157I63-V81 HydrophobicContact CD1-CG1 4.38Å; I63-V81 HydrophobicContact CG2-CB 4.31Å; I63-V81 HydrophobicContact CG2-CG1 3.97Å; I63-V81 HydrophobicContact CG2-CG2 3.48Å; I63-V81 VanDerWaalsContact CG2-CG2 3.48Å; L67-V81 HydrophobicContact CD1-CG2 3.96Å; L67-V81 HydrophobicContact CD2-CG2 4.22Å; L67-V81 HydrophobicContact CG-CG2 4.34Å; V81-V83 HydrophobicContact CG1-CG2 4.19Å; V81-D132 PolarHBondContact N-O 3.17Å; V81-I133 HydrophobicContact CB-CG1 4.21Å; V81-I133 HydrophobicContact CG1-CG2 4.45Å; V81-I133 WeakPolarHBondContact O-CA 3.36Å; V81-I134 PolarHBondContact O-N 3.04Å; V81-C157 WeakPolarHBondContact CA-O 3.49Å; V81-C157 HydrophobicContact CG2-CB 4.38Å
82V94.6Very high83.9Confident2 Ų242.4 Ų42.41%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-121.2126.3170.8168.50000109.2T79 L84 I134 L141 L152 L155 C157 I158 V159T79-V82 HydrophobicContact CG2-CG2 4.4Å; V82-L84 HydrophobicContact CG1-CD2 4Å; V82-L84 HydrophobicContact CG1-CG 4.16Å; V82-I134 CarbonylContact C-O 3.6Å; V82-I134 WeakPolarHBondContact CA-O 3.47Å; V82-I134 HydrophobicContact CG2-CB 4.33Å; V82-L141 HydrophobicContact CG1-CD2 3.71Å; V82-L152 HydrophobicContact CG2-CD2 3.86Å; V82-L155 HydrophobicContact CB-CD1 3.99Å; V82-L155 HydrophobicContact CB-CD2 4.47Å; V82-L155 HydrophobicContact CG2-CD1 3.53Å; V82-L155 HydrophobicContact CG2-CD2 4.32Å; V82-C157 PolarHBondContact N-O 3.14Å; V82-C157 VanDerWaalsContact N-O 3.11Å; V82-I158 WeakPolarHBondContact O-CA 3.48Å; V82-V159 PolarHBondContact O-N 3.24Å
83V95Very high84.2Confident2 Ų238.5 Ų38.51%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-110.8113.5173.9-172.40000109.4F59 V81 V94 I133 I134 I135 G136 V159F59-V83 HydrophobicContact CE2-CG1 4.34Å; F59-V83 HydrophobicContact CE2-CG2 4.39Å; F59-V83 HydrophobicContact CZ-CG1 4.29Å; V81-V83 HydrophobicContact CG1-CG2 4.19Å; V83-V94 HydrophobicContact CG1-CG1 4.04Å; V83-I133 HydrophobicContact CG2-CG2 4.37Å; V83-I134 PolarHBondContact N-O 3.16Å; V83-I135 HydrophobicContact CB-CG1 4.23Å; V83-I135 WeakPolarHBondContact O-CA 3.41Å; V83-G136 PolarHBondContact O-N 3.14Å; V83-G136 VanDerWaalsContact O-N 3.1Å; V83-V159 WeakPolarHBondContact CA-O 3.37Å; V83-V159 HydrophobicContact CB-CB 4.45Å; V83-V159 HydrophobicContact CG1-CB 4.15Å; V83-V159 HydrophobicContact CG1-CG1 4.27Å; V83-V159 HydrophobicContact CG2-CB 4.19Å; V83-V159 HydrophobicContact CG2-CG2 4.44Å
84L93.7Very high84.9Confident1 Ų130.2 Ų30.21%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-93.2128.5174.8-62.7-179.5000109.6V82 G136 L141 I158 V159 V160 D161 L178V82-L84 HydrophobicContact CG1-CD2 4Å; V82-L84 HydrophobicContact CG1-CG 4.16Å; L84-G136 WeakPolarHBondContact CA-O 3.17Å; L84-L141 HydrophobicContact CD2-CB 4.48Å; L84-L141 HydrophobicContact CD2-CD2 3.6Å; L84-I158 HydrophobicContact CD1-CD1 4.06Å; L84-V159 PolarHBondContact N-O 3.37Å; L84-V160 HydrophobicContact CB-CG2 4.46Å; L84-V160 HydrophobicContact CD1-CG2 4.34Å; L84-D161 PolarHBondContact O-N 2.88Å; L84-L178 HydrophobicContact CD1-CD2 3.78Å
85A90.2Very high85.8Confident0 Ų028.5 Ų28.50%016%0.157CC..  trans-130.9145.5168.900000110T87 L90 G136 T137A85-T87 PolarHBondContact O-N 3.07Å; A85-L90 HydrophobicContact CB-CB 4.17Å; A85-L90 HydrophobicContact CB-CD2 3.9Å; A85-L90 HydrophobicContact CB-CG 3.92Å; A85-G136 PolarHBondContact N-O 3.38Å; A85-T137 WeakPolarHBondContact O-CA 3.3Å
86P86.2Confident86.9Confident0 Ų022.4 Ų22.40%013%0.133CC..SBendtrans-66-32.4-175.723.7-37.7000114.3L90 D161 E162 L165 I166 F169 Y171P86-L90 HydrophobicContact CG-CD2 4.26Å; P86-D161 WeakPolarHBondContact CD-O 3.32Å; P86-E162 HydrophobicContact CG-CB 4.08Å; P86-L165 HydrophobicContact CB-CB 3.7Å; P86-L165 HydrophobicContact CB-CD1 4.5Å; P86-L165 HydrophobicContact CG-CB 3.61Å; P86-L165 HydrophobicContact CG-CD1 3.75Å; P86-L165 HydrophobicContact CG-CG 4.34Å; P86-I166 HydrophobicContact CB-CG1 4.41Å; P86-F169 HydrophobicContact CB-CD2 3.59Å; P86-F169 HydrophobicContact CB-CE2 3.79Å; P86-Y171 WeakPolarHBondContact O-CE2 3.26Å; P86-Y171 PolarHBondContact O-OH 2.89Å
87T83.5Confident87.9Confident1 Ų119.9 Ų19.91%0.00611%0.113CC..SBendtrans-122.6144.8-172.162.90000111.1A85 E89 L90 C91 F169 E340A85-T87 PolarHBondContact O-N 3.07Å; T87-E89 PolarHBondContact O-N 2.96Å; T87-L90 PolarHBondContact O-N 2.83Å; T87-L90 WeakPolarHBondContact OG1-CB 3.17Å; T87-L90 PolarHBondContact OG1-N 2.85Å; T87-C91 PolarHBondContact O-N 2.88Å; T87-C91 PolarHBondContact O-SG 3.19Å; T87-C91 VanDerWaalsContact O-SG 3.37Å; T87-F169 HydrophobicContact CG2-CE1 4.5Å; T87-F169 HydrophobicContact CG2-CE2 3.57Å; T87-F169 HydrophobicContact CG2-CZ 3.54Å; T87-E340 WeakPolarHBondContact CG2-O 3.34Å
88K83.4Confident88.7Confident36 Ų3615.4 Ų15.416%0.1579%0.092CC..Hα-helixtrans-56.7-35.6176-76.4167.6-176.6134.10113.5C91 S92 S115 T137 V291 E340K88-C91 WeakPolarHBondContact O-CB 3.48Å; K88-C91 PolarHBondContact O-N 3.19Å; K88-S92 PolarHBondContact O-N 3.25Å; K88-S92 PolarHBondContact O-OG 3.3Å; K88-S115 VanDerWaalsContact CE-O 3.3Å; K88-S115 WeakPolarHBondContact CE-O 3.33Å; K88-T137 HydrophobicContact CG-CG2 4.29Å; K88-V291 HydrophobicContact CB-CG1 4.08Å; K88-V291 HydrophobicContact CD-CG2 3.8Å; K88-E340 WeakPolarHBondContact CD-OE2 3.32Å; K88-E340 WeakPolarHBondContact CE-OE2 3.28Å; K88-E340 VanDerWaalsContact CG-OE2 3.29Å; K88-E340 WeakPolarHBondContact CG-OE2 3.42Å; K88-E340 IonicContact NZ-OE1 3.86Å; K88-E340 IonicContact NZ-OE2 2.72Å; K88-E340 PolarHBondContact NZ-OE2 3.33Å
89E81.1Confident89.1Confident11 Ų1121.5 Ų21.55%0.05112%0.115CC..Hα-helixtrans-65.6-43.8-179.9-63.767.2-149.100110.8T87 S92 Q93 R294 I347T87-E89 PolarHBondContact O-N 2.96Å; E89-S92 PolarHBondContact O-N 2.89Å; E89-Q93 WeakPolarHBondContact O-CB 3.12Å; E89-Q93 PolarHBondContact O-N 3Å; E89-R294 IonicContact OE1-CZ 2.66Å; E89-R294 IonicContact OE1-NE 2.85Å; E89-R294 IonicContact OE1-NH1 3.04Å; E89-R294 PolarHBondContact OE1-NH1 3.47Å; E89-R294 IonicContact OE1-NH2 2.67Å; E89-R294 PolarHBondContact OE1-NH2 3.26Å; E89-R294 VanDerWaalsContact OE1-NH2 3.14Å; E89-R294 IonicContact OE2-NH1 3.29Å; E89-I347 HydrophobicContact CB-CG1 4.34Å
90L85.2Confident89.3Confident10 Ų1023.8 Ų23.85%0.05213%0.131CC..Hα-helixtrans-65.5-40.8175.3-173.460.7000111.4A85 P86 T87 S92 Q93 V94 D161 E162A85-L90 HydrophobicContact CB-CB 4.17Å; A85-L90 HydrophobicContact CB-CD2 3.9Å; A85-L90 HydrophobicContact CB-CG 3.92Å; P86-L90 HydrophobicContact CG-CD2 4.26Å; T87-L90 PolarHBondContact O-N 2.83Å; T87-L90 WeakPolarHBondContact OG1-CB 3.17Å; T87-L90 PolarHBondContact OG1-N 2.85Å; L90-S92 VanDerWaalsContact C-N 3.34Å; L90-S92 PolarHBondContact O-N 2.88Å; L90-Q93 WeakPolarHBondContact O-CB 3.29Å; L90-Q93 PolarHBondContact O-N 3.06Å; L90-V94 HydrophobicContact CD1-CG2 4.41Å; L90-V94 HydrophobicContact CG-CG2 4.46Å; L90-V94 WeakPolarHBondContact O-CG2 2.85Å; L90-V94 PolarHBondContact O-N 3.11Å; L90-D161 HydrophobicContact CD2-CB 4.44Å; L90-E162 HydrophobicContact CD2-CB 4.11Å; L90-E162 HydrophobicContact CD2-CG 3.67Å
91C88.9Confident89.4Confident0 Ų023.7 Ų23.70%013%0.13CC..Hα-helixtrans-55.3-49.6172.3-65.50000111.3T87 K88 Q93 V94 A95 S115 I135 G136T87-C91 PolarHBondContact O-N 2.88Å; T87-C91 PolarHBondContact O-SG 3.19Å; T87-C91 VanDerWaalsContact O-SG 3.37Å; K88-C91 WeakPolarHBondContact O-CB 3.48Å; K88-C91 PolarHBondContact O-N 3.19Å; C91-Q93 VanDerWaalsContact C-N 3.32Å; C91-Q93 PolarHBondContact O-N 3.01Å; C91-V94 PolarHBondContact O-N 3.42Å; C91-A95 WeakPolarHBondContact O-CB 3.38Å; C91-A95 PolarHBondContact O-N 3.13Å; C91-S115 WeakPolarHBondContact CB-OG 3.24Å; C91-I135 HydrophobicContact CB-CG2 3.96Å; C91-G136 VanDerWaalsContact SG-C 3.55Å
92S87.1Confident89.2Confident32 Ų3223.9 Ų23.922%0.22413%0.131CC..Hα-helixtrans-64.1-35.2177.7-70.30000112.7K88 E89 L90 S96 D113 T116K88-S92 PolarHBondContact O-N 3.25Å; K88-S92 PolarHBondContact O-OG 3.3Å; E89-S92 PolarHBondContact O-N 2.89Å; L90-S92 VanDerWaalsContact C-N 3.34Å; L90-S92 PolarHBondContact O-N 2.88Å; S92-S96 WeakPolarHBondContact O-CB 3.45Å; S92-S96 PolarHBondContact O-N 3.24Å; S92-D113 PolarHBondContact OG-OD2 2.71Å; S92-T116 WeakPolarHBondContact OG-CG2 3.08Å
93Q86.1Confident88.9Confident46 Ų4629.6 Ų29.622%0.21516%0.156CC..Hα-helixtrans-65.5-46.6174-179.2173.7-0.100111.8E89 L90 C91 A95 S96 N97 D348E89-Q93 WeakPolarHBondContact O-CB 3.12Å; E89-Q93 PolarHBondContact O-N 3Å; L90-Q93 WeakPolarHBondContact O-CB 3.29Å; L90-Q93 PolarHBondContact O-N 3.06Å; C91-Q93 VanDerWaalsContact C-N 3.32Å; C91-Q93 PolarHBondContact O-N 3.01Å; Q93-A95 VanDerWaalsContact C-N 3.35Å; Q93-S96 PolarHBondContact O-N 3.04Å; Q93-N97 WeakPolarHBondContact O-CB 3.28Å; Q93-N97 VanDerWaalsContact O-CG 3.28Å; Q93-N97 PolarHBondContact O-N 3.33Å; Q93-D348 PolarHBondContact NE2-OD2 3.03Å; Q93-D348 VanDerWaalsContact OE1-CB 3.28Å
94V90.6Very high88.7Confident0 Ų033.5 Ų33.50%017%0.171CC..Hα-helixtrans-62.7-43.8176.7173.80000110.4T56 F59 V83 L90 C91 S96 N97 I98 I135T56-V94 HydrophobicContact CG2-CB 4.38Å; T56-V94 HydrophobicContact CG2-CG1 4.18Å; T56-V94 HydrophobicContact CG2-CG2 4.05Å; F59-V94 HydrophobicContact CE2-CG1 4.5Å; F59-V94 HydrophobicContact CZ-CG1 4.26Å; V83-V94 HydrophobicContact CG1-CG1 4.04Å; L90-V94 HydrophobicContact CD1-CG2 4.41Å; L90-V94 HydrophobicContact CG-CG2 4.46Å; L90-V94 WeakPolarHBondContact O-CG2 2.85Å; L90-V94 PolarHBondContact O-N 3.11Å; C91-V94 PolarHBondContact O-N 3.42Å; V94-S96 PolarHBondContact O-N 3.09Å; V94-N97 PolarHBondContact O-N 3.09Å; V94-I98 HydrophobicContact CG1-CD1 3.74Å; V94-I98 HydrophobicContact CG1-CG1 4.42Å; V94-I98 WeakPolarHBondContact O-CB 3.38Å; V94-I98 WeakPolarHBondContact O-CG1 3.49Å; V94-I98 PolarHBondContact O-N 2.97Å; V94-I135 HydrophobicContact CB-CG2 4.49Å; V94-I135 HydrophobicContact CG1-CD1 4.22Å; V94-I135 HydrophobicContact CG1-CG2 4.45Å
95A91.2Very high88.2Confident18 Ų1833.7 Ų33.715%0.14917%0.172CC..Hα-helixtrans-60.7-43.4176.100000112.1C91 Q93 I98 K99 D113 I135C91-A95 WeakPolarHBondContact O-CB 3.38Å; C91-A95 PolarHBondContact O-N 3.13Å; Q93-A95 VanDerWaalsContact C-N 3.35Å; A95-I98 PolarHBondContact O-N 2.69Å; A95-K99 VanDerWaalsContact O-CB 3.27Å; A95-K99 WeakPolarHBondContact O-CB 3.43Å; A95-K99 PolarHBondContact O-N 2.64Å; A95-D113 HydrophobicContact CB-CB 4.02Å; A95-I135 VanDerWaalsContact CA-CD1 3.45Å; A95-I135 HydrophobicContact CB-CD1 3.65Å
96S89.1Confident87.6Confident64 Ų6437.2 Ų37.245%0.44820%0.202SC..Hα-helixtrans-62.7-43.2174.9-1740000111.7S92 Q93 V94 K99 C100S92-S96 WeakPolarHBondContact O-CB 3.45Å; S92-S96 PolarHBondContact O-N 3.24Å; Q93-S96 PolarHBondContact O-N 3.04Å; V94-S96 PolarHBondContact O-N 3.09Å; S96-K99 PolarHBondContact O-N 2.93Å; S96-C100 WeakPolarHBondContact O-CB 3.5Å; S96-C100 PolarHBondContact O-N 3.32Å; S96-C100 PolarHBondContact O-SG 3.4Å
97N90.4Very high87.3Confident52 Ų5247.5 Ų47.528%0.27825%0.247SC..Hα-helixtrans-64.6-44.6179.2-74.2-12.9000111.6T56 Q93 V94 C100 L101T56-N97 HydrophobicContact CG2-CB 3.92Å; Q93-N97 WeakPolarHBondContact O-CB 3.28Å; Q93-N97 VanDerWaalsContact O-CG 3.28Å; Q93-N97 PolarHBondContact O-N 3.33Å; V94-N97 PolarHBondContact O-N 3.09Å; N97-C100 WeakPolarHBondContact O-CB 3.14Å; N97-C100 PolarHBondContact O-N 3.38Å; N97-L101 WeakPolarHBondContact O-CG 3.48Å; N97-L101 PolarHBondContact O-N 3.37Å
98I92.8Very high87.2Confident4 Ų449.4 Ų49.42%0.02126%0.26CS..Hα-helixtrans-62.6-44.6175.6-71.2169.9000110.2A60 L64 V94 A95 C100 L101 C102 I133 I135A60-I98 HydrophobicContact CB-CG1 4.21Å; L64-I98 HydrophobicContact CD2-CG2 4.37Å; V94-I98 HydrophobicContact CG1-CD1 3.74Å; V94-I98 HydrophobicContact CG1-CG1 4.42Å; V94-I98 WeakPolarHBondContact O-CB 3.38Å; V94-I98 WeakPolarHBondContact O-CG1 3.49Å; V94-I98 PolarHBondContact O-N 2.97Å; A95-I98 PolarHBondContact O-N 2.69Å; I98-C100 VanDerWaalsContact C-N 3.31Å; I98-C100 PolarHBondContact O-N 3.16Å; I98-L101 PolarHBondContact O-N 3.28Å; I98-C102 VanDerWaalsContact O-CB 3.31Å; I98-C102 WeakPolarHBondContact O-CB 3.21Å; I98-C102 PolarHBondContact O-N 2.88Å; I98-C102 PolarHBondContact O-SG 3.23Å; I98-I133 HydrophobicContact CD1-CG2 4.26Å; I98-I133 HydrophobicContact CG2-CD1 4.06Å; I98-I135 HydrophobicContact CD1-CD1 3.8Å; I98-I135 HydrophobicContact CD1-CG1 4.49Å
99K91.9Very high87.3Confident157 Ų15748.1 Ų48.168%0.68326%0.255SS*.Hα-helixtrans-60.3-39.4176.5-173.1173.1-177.4172.60112.7A95 S96 C102 K103A95-K99 VanDerWaalsContact O-CB 3.27Å; A95-K99 WeakPolarHBondContact O-CB 3.43Å; A95-K99 PolarHBondContact O-N 2.64Å; S96-K99 PolarHBondContact O-N 2.93Å; K99-C102 CarbonylContact O-C 3.51Å; K99-C102 PolarHBondContact O-N 3.31Å; K99-K103 PolarHBondContact O-N 3.37Å
100C91.2Very high87.7Confident54 Ų5449.7 Ų49.737%0.36527%0.267SS..Hα-helixtrans-63.7-44.1174.5-74.40000112.2L23 S96 N97 I98 C102 K103L23-C100 HydrophobicContact CD1-CB 4.44Å; L23-C100 HydrophobicContact CD2-CB 4.17Å; S96-C100 WeakPolarHBondContact O-CB 3.5Å; S96-C100 PolarHBondContact O-N 3.32Å; S96-C100 PolarHBondContact O-SG 3.4Å; N97-C100 WeakPolarHBondContact O-CB 3.14Å; N97-C100 PolarHBondContact O-N 3.38Å; I98-C100 VanDerWaalsContact C-N 3.31Å; I98-C100 PolarHBondContact O-N 3.16Å; C100-C102 VanDerWaalsContact C-N 3.32Å; C100-K103 WeakPolarHBondContact O-CB 3.48Å; C100-K103 PolarHBondContact O-N 3.08Å
101L90.9Very high87.9Confident3 Ų351.2 Ų51.22%0.01628%0.278CS..Hα-helixtrans-67.2-33.7175.8-68.3171.2000112A19 I20 L23 W25 A60 I61 L64 N97 I98 K103A19-L101 WeakPolarHBondContact CB-O 3.5Å; I20-L101 HydrophobicContact CG1-CD2 4.14Å; L23-L101 HydrophobicContact CD1-CD2 3.85Å; L23-L101 HydrophobicContact CD1-CG 4.49Å; W25-L101 HydrophobicContact CH2-CD2 4.22Å; W25-L101 HydrophobicContact CZ3-CD2 3.92Å; A60-L101 HydrophobicContact CB-CD1 3.88Å; I61-L101 HydrophobicContact CG1-CD1 4.34Å; L64-L101 HydrophobicContact CD1-CB 3.68Å; L64-L101 HydrophobicContact CD1-CD1 4.17Å; N97-L101 WeakPolarHBondContact O-CG 3.48Å; N97-L101 PolarHBondContact O-N 3.37Å; I98-L101 PolarHBondContact O-N 3.28Å; L101-K103 VanDerWaalsContact C-N 3.28Å; L101-K103 PolarHBondContact O-N 2.64Å
102C90.3Very high88Confident8 Ų851.9 Ų51.95%0.05428%0.282CS..G310 helixtrans-82.87.5178.1-680000114.3L64 I98 K99 C100 Y104 A105 A106L64-C102 WeakPolarHBondContact CD2-SG 3.46Å; I98-C102 VanDerWaalsContact O-CB 3.31Å; I98-C102 WeakPolarHBondContact O-CB 3.21Å; I98-C102 PolarHBondContact O-N 2.88Å; I98-C102 PolarHBondContact O-SG 3.23Å; K99-C102 CarbonylContact O-C 3.51Å; K99-C102 PolarHBondContact O-N 3.31Å; C100-C102 VanDerWaalsContact C-N 3.32Å; C102-Y104 PolarHBondContact O-N 3.37Å; C102-Y104 VanDerWaalsContact O-N 3.08Å; C102-A105 CarbonylContact O-C 3.54Å; C102-A105 WeakPolarHBondContact O-CA 3.32Å; C102-A105 PolarHBondContact O-N 2.93Å; C102-A106 PolarHBondContact O-N 2.87Å
103K89Confident88.2Confident123 Ų12351.6 Ų51.654%0.53528%0.278SS..G310 helixtrans-51.5-38.6-176.5-176.3-178.3175.8-1680113.4D22 K99 C100 L101D22-K103 IonicContact OD2-NZ 3.54Å; D22-K103 PolarHBondContact OD2-NZ 3.1Å; K99-K103 PolarHBondContact O-N 3.37Å; C100-K103 WeakPolarHBondContact O-CB 3.48Å; C100-K103 PolarHBondContact O-N 3.08Å; L101-K103 VanDerWaalsContact C-N 3.28Å; L101-K103 PolarHBondContact O-N 2.64Å
104Y89.5Confident88.3Confident83 Ų8349.4 Ų49.433%0.32527%0.268SS..G310 helixtrans-97.8-1178.1-63.1-70.7000114.1K18 A19 D22 C102K18-Y104 HydrophobicContact CB-CD2 3.89Å; K18-Y104 HydrophobicContact CB-CE2 4Å; K18-Y104 HydrophobicContact CD-CD1 4.05Å; K18-Y104 HydrophobicContact CD-CD2 3.92Å; K18-Y104 HydrophobicContact CD-CE1 3.84Å; K18-Y104 HydrophobicContact CD-CE2 3.7Å; K18-Y104 HydrophobicContact CD-CG 4.09Å; K18-Y104 HydrophobicContact CG-CD2 3.87Å; K18-Y104 HydrophobicContact CG-CE2 3.5Å; A19-Y104 HydrophobicContact CB-CD2 4.17Å; D22-Y104 PolarHBondContact OD2-OH 3.42Å; C102-Y104 PolarHBondContact O-N 3.37Å; C102-Y104 VanDerWaalsContact O-N 3.08Å
105A84Confident87.9Confident5 Ų549.6 Ų49.64%0.04127%0.269CS..THydrogen-bonded Turntrans-116.810.5-179.600000112.9L68 C102 K107 S108 I109L68-A105 HydrophobicContact CD1-CB 4.36Å; L68-A105 HydrophobicContact CD2-CB 4.07Å; C102-A105 CarbonylContact O-C 3.54Å; C102-A105 WeakPolarHBondContact O-CA 3.32Å; C102-A105 PolarHBondContact O-N 2.93Å; A105-K107 PolarHBondContact O-N 3.38Å; A105-K107 VanDerWaalsContact O-N 3.12Å; A105-S108 WeakPolarHBondContact O-CA 3.4Å; A105-S108 PolarHBondContact O-N 2.86Å; A105-I109 HydrophobicContact CB-CD1 4.15Å; A105-I109 HydrophobicContact CB-CG1 4.43Å; A105-I109 PolarHBondContact O-N 3.35Å
106A77.5Confident86.9Confident75 Ų7552 Ų5262%0.6228%0.282SS*.THydrogen-bonded Turntrans-61.5-24.9-172.300000114.6C102 S108C102-A106 PolarHBondContact O-N 2.87Å; A106-S108 VanDerWaalsContact C-N 3.33Å
107K79.7Confident85.7Confident216 Ų21649.5 Ų49.594%0.93927%0.266SS*.THydrogen-bonded Turntrans-75.4-25.5173.4-68-175.8179.5-176.40112.7A105A105-K107 PolarHBondContact O-N 3.38Å; A105-K107 VanDerWaalsContact O-N 3.12Å
108S80.9Confident84.3Confident40 Ų4051.7 Ų51.728%0.2828%0.275SS..THydrogen-bonded Turntrans-96-41.3-175.2-590000111.3R15 K71 A105 A106R15-S108 PolarHBondContact NH1-OG 3.48Å; K71-S108 WeakPolarHBondContact CD-O 3.28Å; K71-S108 WeakPolarHBondContact CE-O 3.27Å; K71-S108 PolarHBondContact NZ-O 3.12Å; A105-S108 WeakPolarHBondContact O-CA 3.4Å; A105-S108 PolarHBondContact O-N 2.86Å; A106-S108 VanDerWaalsContact C-N 3.33Å
109I86.9Confident83Confident10 Ų1055.1 Ų55.15%0.05129%0.293CS..  trans-112.7126.8-171.8-53.1176.2000110.3L64 L68 A105 D132 I133L64-I109 HydrophobicContact CB-CD1 4.4Å; L64-I109 HydrophobicContact CD2-CD1 3.62Å; L64-I109 HydrophobicContact CD2-CG2 4.15Å; L68-I109 HydrophobicContact CD2-CD1 3.69Å; L68-I109 HydrophobicContact CD2-CG1 3.81Å; L68-I109 HydrophobicContact CG-CD1 3.85Å; L68-I109 HydrophobicContact CG-CG1 4.46Å; A105-I109 HydrophobicContact CB-CD1 4.15Å; A105-I109 HydrophobicContact CB-CG1 4.43Å; A105-I109 PolarHBondContact O-N 3.35Å; I109-D132 WeakPolarHBondContact CA-OD2 3.45Å; I109-D132 HydrophobicContact CG2-CB 4.46Å; I109-I133 HydrophobicContact CG2-CD1 3.94Å; I109-I133 HydrophobicContact CG2-CG1 4.43Å
110S88.5Confident81.8Confident44 Ų4450 Ų5031%0.30828%0.275SS..  trans-105.1129.8171.4-174.30000110.7D132 I133S110-D132 PolarHBondContact N-OD2 3.03Å; S110-D132 PolarHBondContact O-N 2.99Å; S110-D132 VanDerWaalsContact O-N 3.11Å; S110-I133 PolarHBondContact O-N 3.11Å; S110-I133 VanDerWaalsContact O-N 3.17Å
111S90.3Very high80.8Confident41 Ų4152.8 Ų52.829%0.28729%0.286SS..EExtended strand (participates in β ladder)trans-126.4129.2177.166.10000110.5I133S111-I133 WeakPolarHBondContact CA-O 3.37Å
112V90.2Very high80Confident14 Ų1458.6 Ų58.69%0.08531%0.313CS..EExtended strand (participates in β ladder)trans-124.1129.4-179.2176.20000110.4I114 I123 L126 P131 I133 I135V112-I114 HydrophobicContact CG1-CG1 4.46Å; V112-I123 HydrophobicContact CG1-CG2 4.29Å; V112-L126 HydrophobicContact CG1-CB 4.23Å; V112-L126 HydrophobicContact CG2-CB 4.23Å; V112-P131 HydrophobicContact CB-CB 4.21Å; V112-P131 HydrophobicContact CB-CG 4.04Å; V112-P131 HydrophobicContact CG2-CB 3.65Å; V112-P131 HydrophobicContact CG2-CG 3.78Å; V112-I133 PolarHBondContact N-O 3.27Å; V112-I135 PolarHBondContact O-N 3.17Å
113D90.5Very high79.5Confident27 Ų2758.6 Ų58.614%0.14431%0.313CS..EExtended strand (participates in β ladder)trans-95.4110171.5-178.84000109.8S92 A95 S115 T116 I135S92-D113 PolarHBondContact OG-OD2 2.71Å; A95-D113 HydrophobicContact CB-CB 4.02Å; D113-S115 VanDerWaalsContact C-N 3.31Å; D113-S115 VanDerWaalsContact CG-OG 3.29Å; D113-S115 WeakPolarHBondContact OD1-CB 3.34Å; D113-S115 PolarHBondContact OD1-N 3.29Å; D113-S115 PolarHBondContact OD1-OG 3.03Å; D113-S115 PolarHBondContact OD2-OG 3.3Å; D113-T116 WeakPolarHBondContact OD2-CG2 3.48Å; D113-I135 CarbonylContact C-O 3.39Å; D113-I135 WeakPolarHBondContact CA-O 3.38Å
114I88.8Confident79.1Confident0 Ų057.4 Ų57.40%031%0.308CS..  trans-80.6-16.9-179.4-50.9-176.4000110.9V112 T116 I123 I127 I134 I135 R140 L141 V144V112-I114 HydrophobicContact CG1-CG1 4.46Å; I114-T116 VanDerWaalsContact C-N 3.32Å; I114-T116 PolarHBondContact O-N 3.12Å; I114-I123 HydrophobicContact CG1-CG2 4.4Å; I114-I123 HydrophobicContact CG2-CD1 3.73Å; I114-I123 HydrophobicContact CG2-CG2 4.31Å; I114-I123 WeakPolarHBondContact O-CD1 3.48Å; I114-I127 HydrophobicContact CD1-CD1 4.3Å; I114-I134 HydrophobicContact CD1-CD1 4.47Å; I114-I134 HydrophobicContact CD1-CG2 3.28Å; I114-I134 HydrophobicContact CG1-CG2 3.93Å; I114-I135 PolarHBondContact N-O 3.18Å; I114-R140 HydrophobicContact CB-CG 4.43Å; I114-R140 HydrophobicContact CG2-CG 3.62Å; I114-R140 WeakPolarHBondContact O-CG 3.44Å; I114-L141 HydrophobicContact CD1-CD1 4.43Å; I114-V144 HydrophobicContact CG2-CG2 3.75Å
115S82.1Confident78.8Confident3 Ų357 Ų572%0.02132%0.315CS..SBendtrans-69.9-28-171.479.10000113.6K88 C91 D113K88-S115 VanDerWaalsContact CE-O 3.3Å; K88-S115 WeakPolarHBondContact CE-O 3.33Å; C91-S115 WeakPolarHBondContact CB-OG 3.24Å; D113-S115 VanDerWaalsContact C-N 3.31Å; D113-S115 VanDerWaalsContact CG-OG 3.29Å; D113-S115 WeakPolarHBondContact OD1-CB 3.34Å; D113-S115 PolarHBondContact OD1-N 3.29Å; D113-S115 PolarHBondContact OD1-OG 3.03Å; D113-S115 PolarHBondContact OD2-OG 3.3Å
116T71.1Confident78.7Confident69 Ų6960.7 Ų60.742%0.42333%0.333SS..SBendtrans-85.9-25.9-173.557.10000113.9S92 D113 I114 H118S92-T116 WeakPolarHBondContact OG-CG2 3.08Å; D113-T116 WeakPolarHBondContact OD2-CG2 3.48Å; I114-T116 VanDerWaalsContact C-N 3.32Å; I114-T116 PolarHBondContact O-N 3.12Å; T116-H118 PolarHBondContact O-N 3.41Å
117G63.7Low79Confident11 Ų1157.1 Ų57.111%0.11330%0.304CS..  trans-82.3116.6178.300000110.5I123 R140G117-I123 WeakPolarHBondContact O-CD1 3.45Å; G117-R140 PolarHBondContact O-NE 3.15Å; G117-R140 PolarHBondContact O-NH2 3.04Å
118H60.1Low79.2Confident99 Ų9953.1 Ų53.146%0.45829%0.292SS..SBendtrans-74.8-31.8177-50.8-101.2000111.6T116 R140 R473T116-H118 PolarHBondContact O-N 3.41Å; H118-R140 VanDerWaalsContact C-NH2 3.26Å; H118-R140 PolarHBondContact O-NH2 3.21Å; H118-R473 PolarHBondContact CD2-NH1 3.23Å; H118-R473 PolarHBondContact CD2-NH2 3.21Å; H118-R473 VanDerWaalsContact CG-CZ 3.41Å
119D65.3Low79.3Confident75 Ų7557.8 Ų57.840%0.40131%0.309SS..SBendtrans-101.8129.7-175.9-54.7-46.8000109.3D121 Q122 R140 R473D119-D121 PolarHBondContact O-N 3.1Å; D119-Q122 PolarHBondContact O-N 3.48Å; D119-R140 VanDerWaalsContact C-NH2 3.32Å; D119-R140 PolarHBondContact O-NH2 2.93Å; D119-R473 IonicContact OD2-NH2 3Å; D119-R473 PolarHBondContact OD2-NH2 3.07Å
120T67.8Low79.1Confident51 Ų5160.6 Ų60.631%0.31333%0.325SS..Hα-helixtrans-57.4-31.7178.638.80000111.3Q122 I123 K124T120-Q122 PolarHBondContact O-N 3.3Å; T120-I123 PolarHBondContact O-N 2.69Å; T120-K124 WeakPolarHBondContact O-CB 3.26Å; T120-K124 PolarHBondContact O-N 2.97Å
121D69.8Low79.1Confident112 Ų11258.5 Ų58.560%0.59931%0.31SS*.Hα-helixtrans-70.6-31.3-173.7-56.2-36.2000113.6D119 I123 P125D119-D121 PolarHBondContact O-N 3.1Å; D121-I123 VanDerWaalsContact C-N 3.34Å; D121-P125 WeakPolarHBondContact O-CD 3.5Å
122Q74.3Confident79.1Confident125 Ų12556.8 Ų56.858%0.58430%0.298SS*.Hα-helixtrans-72.1-32176-66.7-177.2300112D119 T120 P125D119-Q122 PolarHBondContact O-N 3.48Å; T120-Q122 PolarHBondContact O-N 3.3Å; Q122-P125 WeakPolarHBondContact O-CD 3.48Å
123I78.4Confident79.3Confident7 Ų756.2 Ų56.24%0.03629%0.294CS..Hα-helixtrans-87.9-26.7-178.8-41.3175.7000110.7V112 I114 G117 T120 D121 L126 I127V112-I123 HydrophobicContact CG1-CG2 4.29Å; I114-I123 HydrophobicContact CG1-CG2 4.4Å; I114-I123 HydrophobicContact CG2-CD1 3.73Å; I114-I123 HydrophobicContact CG2-CG2 4.31Å; I114-I123 WeakPolarHBondContact O-CD1 3.48Å; G117-I123 WeakPolarHBondContact O-CD1 3.45Å; T120-I123 PolarHBondContact O-N 2.69Å; D121-I123 VanDerWaalsContact C-N 3.34Å; I123-L126 WeakPolarHBondContact O-CB 3.49Å; I123-L126 PolarHBondContact O-N 3.31Å; I123-I127 HydrophobicContact CB-CD1 4Å; I123-I127 HydrophobicContact CG2-CD1 3.44Å; I123-I127 VanDerWaalsContact CG2-CD1 3.44Å; I123-I127 HydrophobicContact CG2-CG1 3.83Å; I123-I127 WeakPolarHBondContact O-CG1 3.06Å; I123-I127 PolarHBondContact O-N 3.39Å
124K81.8Confident79.4Confident99 Ų9955 Ų5543%0.4329%0.287SS..Hα-helixtrans-47.5-48.5-180-162.5166.2-169.9-176.90114.3T120 L126 I127 L128 I149T120-K124 WeakPolarHBondContact O-CB 3.26Å; T120-K124 PolarHBondContact O-N 2.97Å; K124-L126 PolarHBondContact O-N 2.98Å; K124-I127 PolarHBondContact O-N 3.28Å; K124-L128 WeakPolarHBondContact O-CB 3.35Å; K124-L128 PolarHBondContact O-N 2.94Å; K124-I149 HydrophobicContact CD-CD1 3.94Å; K124-I149 HydrophobicContact CG-CD1 3.94Å; K124-I149 HydrophobicContact CG-CG2 4.16Å
125P83.3Confident79.7Confident73 Ų7355 Ų5547%0.47429%0.288SS..Hα-helixtrans-63.4-41.2177.324.1-34.2000112.4D121 Q122 I127 L128 E129D121-P125 WeakPolarHBondContact O-CD 3.5Å; Q122-P125 WeakPolarHBondContact O-CD 3.48Å; P125-I127 VanDerWaalsContact C-N 3.3Å; P125-I127 PolarHBondContact O-N 3.08Å; P125-L128 PolarHBondContact O-N 3.18Å; P125-E129 PolarHBondContact O-N 3.31Å
126L82Confident80.1Confident83 Ų8355 Ų5544%0.43529%0.288SS..Hα-helixtrans-66.6-32.5179.6-60.3174.5000112.4V112 I123 K124 P131V112-L126 HydrophobicContact CG1-CB 4.23Å; V112-L126 HydrophobicContact CG2-CB 4.23Å; I123-L126 WeakPolarHBondContact O-CB 3.49Å; I123-L126 PolarHBondContact O-N 3.31Å; K124-L126 PolarHBondContact O-N 2.98Å; L126-P131 WeakPolarHBondContact O-CD 3.46Å
127I83.6Confident81Confident1 Ų151.7 Ų51.71%0.00527%0.268CS..Hα-helixtrans-76.8-35.9176.5-66.5159.1000110.7I114 I123 K124 P125 E129 N130 V144 I149 L150I114-I127 HydrophobicContact CD1-CD1 4.3Å; I123-I127 HydrophobicContact CB-CD1 4Å; I123-I127 HydrophobicContact CG2-CD1 3.44Å; I123-I127 VanDerWaalsContact CG2-CD1 3.44Å; I123-I127 HydrophobicContact CG2-CG1 3.83Å; I123-I127 WeakPolarHBondContact O-CG1 3.06Å; I123-I127 PolarHBondContact O-N 3.39Å; K124-I127 PolarHBondContact O-N 3.28Å; P125-I127 VanDerWaalsContact C-N 3.3Å; P125-I127 PolarHBondContact O-N 3.08Å; I127-E129 PolarHBondContact O-N 3.28Å; I127-N130 WeakPolarHBondContact O-CA 3.46Å; I127-N130 PolarHBondContact O-N 3.09Å; I127-V144 HydrophobicContact CD1-CG1 3.8Å; I127-V144 HydrophobicContact CD1-CG2 4.28Å; I127-I149 HydrophobicContact CB-CG2 4.25Å; I127-I149 HydrophobicContact CG2-CG2 3.81Å; I127-L150 HydrophobicContact CG2-CB 4.04Å; I127-L150 HydrophobicContact CG2-CD1 4.07Å
128L84Confident82.3Confident131 Ų13151.3 Ų51.369%0.68626%0.263SS*.Hα-helixtrans-64.3-25.7179.8-165.769.4000112.5K124 P125 N130K124-L128 WeakPolarHBondContact O-CB 3.35Å; K124-L128 PolarHBondContact O-N 2.94Å; P125-L128 PolarHBondContact O-N 3.18Å; L128-N130 PolarHBondContact O-N 3.43Å
129E82.5Confident83.6Confident138 Ų13847.8 Ų47.865%0.64525%0.25SC*.THydrogen-bonded Turntrans-68.7-3.9170.1-68.7-179.3178.800113.7P125 I127P125-E129 PolarHBondContact O-N 3.31Å; I127-E129 PolarHBondContact O-N 3.28Å
130N82.7Confident84.6Confident69 Ų6945.5 Ų45.537%0.36924%0.236SC..  trans52.671-178.2-66.1-35.5000112.9Q77 I127 L128Q77-N130 HydrophobicContact CB-CB 4.38Å; I127-N130 WeakPolarHBondContact O-CA 3.46Å; I127-N130 PolarHBondContact O-N 3.09Å; L128-N130 PolarHBondContact O-N 3.43Å
131P88.4Confident85.7Confident1 Ų143.2 Ų43.21%0.00622%0.221CC..  trans-65.2148.8178.129.6-35.7000111.3T79 V112 L126 I134T79-P131 VanDerWaalsContact CA-O 3.26Å; T79-P131 WeakPolarHBondContact CA-O 3.15Å; T79-P131 WeakPolarHBondContact CB-O 3.43Å; T79-P131 PolarHBondContact OG1-O 2.97Å; V112-P131 HydrophobicContact CB-CB 4.21Å; V112-P131 HydrophobicContact CB-CG 4.04Å; V112-P131 HydrophobicContact CG2-CB 3.65Å; V112-P131 HydrophobicContact CG2-CG 3.78Å; L126-P131 WeakPolarHBondContact O-CD 3.46Å; P131-I134 HydrophobicContact CG-CD1 4.15Å; P131-I134 HydrophobicContact CG-CG1 3.85Å
132D90.6Very high86.7Confident4 Ų438 Ų382%0.02119%0.194CC..SBendtrans-68.9-40.5-179.7-54.9-71000112.4L67 K71 S80 V81 I109 S110L67-D132 HydrophobicContact CD1-CB 4.3Å; K71-D132 WeakPolarHBondContact CE-OD1 3.27Å; K71-D132 VanDerWaalsContact CE-OD2 3.28Å; K71-D132 WeakPolarHBondContact CE-OD2 3.4Å; K71-D132 IonicContact NZ-OD1 2.81Å; K71-D132 PolarHBondContact NZ-OD1 2.96Å; K71-D132 IonicContact NZ-OD2 3.75Å; K71-D132 PolarHBondContact NZ-OD2 3.28Å; S80-D132 PolarHBondContact N-O 3.13Å; V81-D132 PolarHBondContact N-O 3.17Å; I109-D132 WeakPolarHBondContact CA-OD2 3.45Å; I109-D132 HydrophobicContact CG2-CB 4.46Å; S110-D132 PolarHBondContact N-OD2 3.03Å; S110-D132 PolarHBondContact O-N 2.99Å; S110-D132 VanDerWaalsContact O-N 3.11Å
133I93.5Very high87.3Confident3 Ų338 Ų382%0.01519%0.192CC..EExtended strand (participates in β ladder)trans-119.2121.8-175-54174.6000108.7L64 L67 V81 V83 I98 I109 S110 S111 V112 I135L64-I133 HydrophobicContact CD2-CD1 3.55Å; L67-I133 HydrophobicContact CD1-CD1 3.87Å; L67-I133 HydrophobicContact CD1-CG1 3.76Å; V81-I133 HydrophobicContact CB-CG1 4.21Å; V81-I133 HydrophobicContact CG1-CG2 4.45Å; V81-I133 WeakPolarHBondContact O-CA 3.36Å; V83-I133 HydrophobicContact CG2-CG2 4.37Å; I98-I133 HydrophobicContact CD1-CG2 4.26Å; I98-I133 HydrophobicContact CG2-CD1 4.06Å; I109-I133 HydrophobicContact CG2-CD1 3.94Å; I109-I133 HydrophobicContact CG2-CG1 4.43Å; S110-I133 PolarHBondContact O-N 3.11Å; S110-I133 VanDerWaalsContact O-N 3.17Å; S111-I133 WeakPolarHBondContact CA-O 3.37Å; V112-I133 PolarHBondContact N-O 3.27Å; I133-I135 HydrophobicContact CG2-CD1 4.47Å; I133-I135 HydrophobicContact CG2-CG1 4.06Å
134I93.7Very high87.8Confident0 Ų037.8 Ų37.80%019%0.191CC..EExtended strand (participates in β ladder)trans-111128.8173.3-70.8-178000109.3T79 V81 V82 V83 I114 P131 L141 L150T79-I134 HydrophobicContact CG2-CB 4.39Å; T79-I134 HydrophobicContact CG2-CD1 3.65Å; T79-I134 HydrophobicContact CG2-CG1 3.88Å; V81-I134 PolarHBondContact O-N 3.04Å; V82-I134 CarbonylContact C-O 3.6Å; V82-I134 WeakPolarHBondContact CA-O 3.47Å; V82-I134 HydrophobicContact CG2-CB 4.33Å; V83-I134 PolarHBondContact N-O 3.16Å; I114-I134 HydrophobicContact CD1-CD1 4.47Å; I114-I134 HydrophobicContact CD1-CG2 3.28Å; I114-I134 HydrophobicContact CG1-CG2 3.93Å; P131-I134 HydrophobicContact CG-CD1 4.15Å; P131-I134 HydrophobicContact CG-CG1 3.85Å; I134-L141 HydrophobicContact CG2-CD1 4.12Å; I134-L150 HydrophobicContact CD1-CD1 3.41Å; I134-L150 VanDerWaalsContact CD1-CD1 3.41Å; I134-L150 HydrophobicContact CD1-CD2 3.43Å; I134-L150 VanDerWaalsContact CD1-CD2 3.43Å; I134-L150 HydrophobicContact CD1-CG 4.06Å
135I94.1Very high88.2Confident1 Ų133.4 Ų33.41%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-118.5133.2178.7-52.5165.6000107.8V83 C91 V94 A95 I98 V112 D113 I114 I133V83-I135 HydrophobicContact CB-CG1 4.23Å; V83-I135 WeakPolarHBondContact O-CA 3.41Å; C91-I135 HydrophobicContact CB-CG2 3.96Å; V94-I135 HydrophobicContact CB-CG2 4.49Å; V94-I135 HydrophobicContact CG1-CD1 4.22Å; V94-I135 HydrophobicContact CG1-CG2 4.45Å; A95-I135 VanDerWaalsContact CA-CD1 3.45Å; A95-I135 HydrophobicContact CB-CD1 3.65Å; I98-I135 HydrophobicContact CD1-CD1 3.8Å; I98-I135 HydrophobicContact CD1-CG1 4.49Å; V112-I135 PolarHBondContact O-N 3.17Å; D113-I135 CarbonylContact C-O 3.39Å; D113-I135 WeakPolarHBondContact CA-O 3.38Å; I114-I135 PolarHBondContact N-O 3.18Å; I133-I135 HydrophobicContact CG2-CD1 4.47Å; I133-I135 HydrophobicContact CG2-CG1 4.06Å
136G91.8Very high88.5Confident2 Ų237.3 Ų37.32%0.02118%0.177CC..EExtended strand (participates in β ladder)trans-177.1170.6178.100000114.9V83 L84 A85 C91V83-G136 PolarHBondContact O-N 3.14Å; V83-G136 VanDerWaalsContact O-N 3.1Å; L84-G136 WeakPolarHBondContact CA-O 3.17Å; A85-G136 PolarHBondContact N-O 3.38Å; C91-G136 VanDerWaalsContact SG-C 3.55Å
137T90Very high88.6Confident1 Ų136.2 Ų36.21%0.00618%0.176CC..  trans-77.2148.4170.663.80000110.4A85 K88 S139 R140 L141A85-T137 WeakPolarHBondContact O-CA 3.3Å; K88-T137 HydrophobicContact CG-CG2 4.29Å; T137-S139 VanDerWaalsContact C-N 3.34Å; T137-S139 PolarHBondContact O-N 3.07Å; T137-R140 PolarHBondContact O-N 3.3Å; T137-R140 WeakPolarHBondContact OG1-CB 3.4Å; T137-L141 PolarHBondContact O-N 3.38Å
138P90.5Very high88.6Confident3 Ų339.1 Ų39.12%0.01921%0.207CC..Hα-helixtrans-52.1-47.8-178.8-2935.7000113.3R140 L141 M142 Y171 E174P138-R140 VanDerWaalsContact C-N 3.3Å; P138-R140 PolarHBondContact O-N 3.29Å; P138-L141 PolarHBondContact O-N 2.96Å; P138-M142 WeakPolarHBondContact O-CB 3.16Å; P138-M142 WeakPolarHBondContact O-CG 3.36Å; P138-M142 PolarHBondContact O-N 3.05Å; P138-Y171 HydrophobicContact CB-CD1 4.47Å; P138-Y171 HydrophobicContact CB-CG 4.13Å; P138-Y171 HydrophobicContact CG-CD2 4.04Å; P138-Y171 HydrophobicContact CG-CG 4.07Å; P138-E174 HydrophobicContact CB-CB 4.18Å
139S87.7Confident88.6Confident25 Ų2534.8 Ų34.818%0.17518%0.183CC..Hα-helixtrans-63.6-34.4179.2-49.60000113.2T137 K143 Y171 E174T137-S139 VanDerWaalsContact C-N 3.34Å; T137-S139 PolarHBondContact O-N 3.07Å; S139-K143 WeakPolarHBondContact O-CG 3.46Å; S139-K143 PolarHBondContact O-N 3.22Å; S139-K143 VanDerWaalsContact O-N 3.13Å; S139-Y171 WeakPolarHBondContact OG-CD1 3.49Å; S139-Y171 WeakPolarHBondContact OG-CE1 3.33Å; S139-E174 PolarHBondContact OG-OE1 2.88Å
140R86.7Confident88.7Confident27 Ų2728.6 Ų28.610%0.10216%0.155CC..Hα-helixtrans-74.6-41.6179.4-170.259.7170.1155.1-7.2111.3I114 G117 H118 D119 T137 P138 M142 K143 V144I114-R140 HydrophobicContact CB-CG 4.43Å; I114-R140 HydrophobicContact CG2-CG 3.62Å; I114-R140 WeakPolarHBondContact O-CG 3.44Å; G117-R140 PolarHBondContact O-NE 3.15Å; G117-R140 PolarHBondContact O-NH2 3.04Å; H118-R140 VanDerWaalsContact C-NH2 3.26Å; H118-R140 PolarHBondContact O-NH2 3.21Å; D119-R140 VanDerWaalsContact C-NH2 3.32Å; D119-R140 PolarHBondContact O-NH2 2.93Å; T137-R140 PolarHBondContact O-N 3.3Å; T137-R140 WeakPolarHBondContact OG1-CB 3.4Å; P138-R140 VanDerWaalsContact C-N 3.3Å; P138-R140 PolarHBondContact O-N 3.29Å; R140-M142 VanDerWaalsContact C-N 3.32Å; R140-M142 PolarHBondContact O-N 2.68Å; R140-K143 PolarHBondContact O-N 2.93Å; R140-V144 PolarHBondContact O-N 3.48Å
141L90.3Very high88.9Confident2 Ų228.7 Ų28.71%0.0116%0.161CC..Hα-helixtrans-58.6-46.3173.1-177.665.8000110.6V82 L84 I114 I134 T137 P138 K143 V144 L145 L150 L178V82-L141 HydrophobicContact CG1-CD2 3.71Å; L84-L141 HydrophobicContact CD2-CB 4.48Å; L84-L141 HydrophobicContact CD2-CD2 3.6Å; I114-L141 HydrophobicContact CD1-CD1 4.43Å; I134-L141 HydrophobicContact CG2-CD1 4.12Å; T137-L141 PolarHBondContact O-N 3.38Å; P138-L141 PolarHBondContact O-N 2.96Å; L141-K143 VanDerWaalsContact C-N 3.33Å; L141-K143 PolarHBondContact O-N 3.04Å; L141-V144 PolarHBondContact O-N 2.86Å; L141-V144 VanDerWaalsContact O-N 3.09Å; L141-L145 HydrophobicContact CD1-CD1 4.45Å; L141-L145 HydrophobicContact CD1-CG 4.41Å; L141-L145 HydrophobicContact CD2-CD1 4.39Å; L141-L145 HydrophobicContact CG-CD1 3.93Å; L141-L145 HydrophobicContact CG-CG 4.3Å; L141-L145 WeakPolarHBondContact O-CG 3.5Å; L141-L145 PolarHBondContact O-N 2.8Å; L141-L150 HydrophobicContact CD1-CD2 3.98Å; L141-L178 HydrophobicContact CD2-CD1 3.95Å; L141-L178 HydrophobicContact CD2-CD2 4.47Å
142M89.8Confident88.8Confident4 Ų428.9 Ų28.92%0.0216%0.162CC..Hα-helixtrans-60.7-38.1178.1-73.5-54.2-61.400113.2P138 R140 V144 L145 R146 E174 D177 L178 Y181P138-M142 WeakPolarHBondContact O-CB 3.16Å; P138-M142 WeakPolarHBondContact O-CG 3.36Å; P138-M142 PolarHBondContact O-N 3.05Å; R140-M142 VanDerWaalsContact C-N 3.32Å; R140-M142 PolarHBondContact O-N 2.68Å; M142-V144 VanDerWaalsContact C-N 3.33Å; M142-V144 PolarHBondContact O-N 3.48Å; M142-L145 PolarHBondContact O-N 3.07Å; M142-L145 HydrophobicContact SD-CD1 4.08Å; M142-R146 WeakPolarHBondContact O-CB 3.4Å; M142-R146 VanDerWaalsContact O-CG 3.25Å; M142-R146 WeakPolarHBondContact O-CG 3.38Å; M142-R146 PolarHBondContact O-N 3.12Å; M142-E174 HydrophobicContact CB-CG 4.47Å; M142-E174 HydrophobicContact CG-CB 3.79Å; M142-E174 HydrophobicContact CG-CG 4.09Å; M142-D177 HydrophobicContact CE-CB 3.47Å; M142-D177 VanDerWaalsContact CE-CB 3.47Å; M142-D177 HydrophobicContact SD-CB 4.45Å; M142-L178 HydrophobicContact SD-CB 3.88Å; M142-L178 HydrophobicContact SD-CD1 3.92Å; M142-Y181 HydrophobicContact CE-CD2 4.3Å; M142-Y181 HydrophobicContact CE-CE2 3.88Å
143K88.5Confident88.5Confident125 Ų12536.5 Ų36.554%0.54320%0.195SC..Hα-helixtrans-61.4-42.3173.7-74.8173.6-177.8-179.70112S139 R140 L141 S147S139-K143 WeakPolarHBondContact O-CG 3.46Å; S139-K143 PolarHBondContact O-N 3.22Å; S139-K143 VanDerWaalsContact O-N 3.13Å; R140-K143 PolarHBondContact O-N 2.93Å; L141-K143 VanDerWaalsContact C-N 3.33Å; L141-K143 PolarHBondContact O-N 3.04Å; K143-S147 PolarHBondContact O-N 2.7Å; K143-S147 VanDerWaalsContact O-N 3.13Å; K143-S147 PolarHBondContact O-OG 2.78Å
144V88.1Confident88.1Confident2 Ų241.2 Ų41.21%0.01222%0.22CC..Hα-helixtrans-67.4-42.7177.2174.90000111.1I114 I127 R140 L141 M142 S147 G148 L150I114-V144 HydrophobicContact CG2-CG2 3.75Å; I127-V144 HydrophobicContact CD1-CG1 3.8Å; I127-V144 HydrophobicContact CD1-CG2 4.28Å; R140-V144 PolarHBondContact O-N 3.48Å; L141-V144 PolarHBondContact O-N 2.86Å; L141-V144 VanDerWaalsContact O-N 3.09Å; M142-V144 VanDerWaalsContact C-N 3.33Å; M142-V144 PolarHBondContact O-N 3.48Å; V144-S147 PolarHBondContact O-N 2.79Å; V144-S147 PolarHBondContact O-OG 2.81Å; V144-G148 PolarHBondContact O-N 2.78Å; V144-L150 HydrophobicContact CG1-CB 3.83Å; V144-L150 HydrophobicContact CG1-CD2 4.41Å
145L89.6Confident88Confident6 Ų641.4 Ų41.43%0.03122%0.221CC..Hα-helixtrans-63.8-43176.5-67.1172.6000112.6L141 M142 S147 G148 L150 L152 L178 Y181L141-L145 HydrophobicContact CD1-CD1 4.45Å; L141-L145 HydrophobicContact CD1-CG 4.41Å; L141-L145 HydrophobicContact CD2-CD1 4.39Å; L141-L145 HydrophobicContact CG-CD1 3.93Å; L141-L145 HydrophobicContact CG-CG 4.3Å; L141-L145 WeakPolarHBondContact O-CG 3.5Å; L141-L145 PolarHBondContact O-N 2.8Å; M142-L145 PolarHBondContact O-N 3.07Å; M142-L145 HydrophobicContact SD-CD1 4.08Å; L145-S147 VanDerWaalsContact C-N 3.26Å; L145-S147 PolarHBondContact O-N 2.87Å; L145-G148 PolarHBondContact O-N 3.34Å; L145-L150 HydrophobicContact CD2-CB 4.25Å; L145-L150 HydrophobicContact CD2-CD2 3.99Å; L145-L150 HydrophobicContact CD2-CG 4.19Å; L145-L152 HydrophobicContact CD1-CD1 3.88Å; L145-L152 HydrophobicContact CD2-CD1 3.67Å; L145-L152 HydrophobicContact CD2-CG 3.73Å; L145-L152 HydrophobicContact CG-CD1 4.41Å; L145-L178 HydrophobicContact CD1-CD1 3.42Å; L145-L178 VanDerWaalsContact CD1-CD1 3.42Å; L145-Y181 HydrophobicContact CB-CD1 4.44Å; L145-Y181 HydrophobicContact CB-CD2 4.48Å; L145-Y181 HydrophobicContact CB-CE1 4.41Å; L145-Y181 HydrophobicContact CB-CE2 4.46Å; L145-Y181 HydrophobicContact CB-CG 4.48Å; L145-Y181 HydrophobicContact CD1-CD2 4.25Å; L145-Y181 HydrophobicContact CD1-CG 4.26Å
146R89.5Confident87.7Confident155 Ų15547.3 Ų47.359%0.58524%0.243SC*.Hα-helixtrans-64.4-29.8176.7-73.2176.1-177173.83112.8M142 G148 D177M142-R146 WeakPolarHBondContact O-CB 3.4Å; M142-R146 VanDerWaalsContact O-CG 3.25Å; M142-R146 WeakPolarHBondContact O-CG 3.38Å; M142-R146 PolarHBondContact O-N 3.12Å; R146-G148 PolarHBondContact O-N 3.44Å; R146-D177 IonicContact CZ-OD2 2.81Å; R146-D177 IonicContact NH2-OD2 3.12Å; R146-D177 PolarHBondContact NH2-OD2 3.44Å
147S85.7Confident87.8Confident61 Ų6147.5 Ų47.543%0.42724%0.244SC..THydrogen-bonded Turntrans-73.3-9.3172.868.60000114.2K143 V144 L145 I149K143-S147 PolarHBondContact O-N 2.7Å; K143-S147 VanDerWaalsContact O-N 3.13Å; K143-S147 PolarHBondContact O-OG 2.78Å; V144-S147 PolarHBondContact O-N 2.79Å; V144-S147 PolarHBondContact O-OG 2.81Å; L145-S147 VanDerWaalsContact C-N 3.26Å; L145-S147 PolarHBondContact O-N 2.87Å; S147-I149 PolarHBondContact O-N 2.99Å; S147-I149 WeakPolarHBondContact OG-CD1 3.47Å; S147-I149 VanDerWaalsContact OG-CG1 3.28Å; S147-I149 WeakPolarHBondContact OG-CG1 3.43Å
148G83.7Confident88Confident62 Ų6247.6 Ų47.664%0.63924%0.244SC*.THydrogen-bonded Turntrans72.37.2178.500000114.9V144 L145 R146 L150V144-G148 PolarHBondContact O-N 2.78Å; L145-G148 PolarHBondContact O-N 3.34Å; R146-G148 PolarHBondContact O-N 3.44Å; G148-L150 VanDerWaalsContact C-N 3.35Å
149I83.6Confident88.1Confident39 Ų3947.4 Ų47.420%0.224%0.243CC..  trans-71.4-33.4-178.6-57.6167.2000110.9K124 I127 S147K124-I149 HydrophobicContact CD-CD1 3.94Å; K124-I149 HydrophobicContact CG-CD1 3.94Å; K124-I149 HydrophobicContact CG-CG2 4.16Å; I127-I149 HydrophobicContact CB-CG2 4.25Å; I127-I149 HydrophobicContact CG2-CG2 3.81Å; S147-I149 PolarHBondContact O-N 2.99Å; S147-I149 WeakPolarHBondContact OG-CD1 3.47Å; S147-I149 VanDerWaalsContact OG-CG1 3.28Å; S147-I149 WeakPolarHBondContact OG-CG1 3.43Å
150L84.7Confident88.4Confident9 Ų946.2 Ų46.25%0.04724%0.235CC..  trans-113.8132.7-176.6179.468000110.7I127 I134 L141 V144 L145 G148 L152I127-L150 HydrophobicContact CG2-CB 4.04Å; I127-L150 HydrophobicContact CG2-CD1 4.07Å; I134-L150 HydrophobicContact CD1-CD1 3.41Å; I134-L150 VanDerWaalsContact CD1-CD1 3.41Å; I134-L150 HydrophobicContact CD1-CD2 3.43Å; I134-L150 VanDerWaalsContact CD1-CD2 3.43Å; I134-L150 HydrophobicContact CD1-CG 4.06Å; L141-L150 HydrophobicContact CD1-CD2 3.98Å; V144-L150 HydrophobicContact CG1-CB 3.83Å; V144-L150 HydrophobicContact CG1-CD2 4.41Å; L145-L150 HydrophobicContact CD2-CB 4.25Å; L145-L150 HydrophobicContact CD2-CD2 3.99Å; L145-L150 HydrophobicContact CD2-CG 4.19Å; G148-L150 VanDerWaalsContact C-N 3.35Å; L150-L152 HydrophobicContact CD2-CD2 3.9Å; L150-L152 HydrophobicContact CD2-CG 4.5Å; L150-L152 HydrophobicContact CG-CD2 4.1Å
151S85.8Confident88.5Confident70 Ų7045.1 Ų45.149%0.4923%0.231SC..  trans-112.8124.5173.8170.60000110K153S151-K153 WeakPolarHBondContact OG-CG 3.31Å
152L87Confident88.3Confident6 Ų645.4 Ų45.43%0.03123%0.233CC..  trans-9821.7-179.1-63-179.8000113.6T79 V82 L145 L150 D154 L155 L178 L182 P183T79-L152 HydrophobicContact CG2-CD2 4.27Å; V82-L152 HydrophobicContact CG2-CD2 3.86Å; L145-L152 HydrophobicContact CD1-CD1 3.88Å; L145-L152 HydrophobicContact CD2-CD1 3.67Å; L145-L152 HydrophobicContact CD2-CG 3.73Å; L145-L152 HydrophobicContact CG-CD1 4.41Å; L150-L152 HydrophobicContact CD2-CD2 3.9Å; L150-L152 HydrophobicContact CD2-CG 4.5Å; L150-L152 HydrophobicContact CG-CD2 4.1Å; L152-D154 VanDerWaalsContact C-N 3.25Å; L152-D154 PolarHBondContact O-N 2.79Å; L152-L155 HydrophobicContact CB-CB 4.32Å; L152-L155 HydrophobicContact CD2-CD1 4.48Å; L152-L155 VanDerWaalsContact O-CB 3.28Å; L152-L155 WeakPolarHBondContact O-CB 3.5Å; L152-L155 PolarHBondContact O-N 3.2Å; L152-L178 HydrophobicContact CD1-CD1 4.4Å; L152-L182 HydrophobicContact CD1-CD2 4.39Å; L152-P183 WeakPolarHBondContact O-CD 3.22Å
153K84.6Confident88.1Confident164 Ų16445.3 Ų45.371%0.71323%0.232SC*.THydrogen-bonded Turntrans-57.6-37.2-175.9-71.4177.3-176.5-179.10113.3S151S151-K153 WeakPolarHBondContact OG-CG 3.31Å
154D85.7Confident87.6Confident101 Ų10139.5 Ų39.554%0.5421%0.207SC..THydrogen-bonded Turntrans-98.916.6-176-55.2-44.7000113.1L152 R156L152-D154 VanDerWaalsContact C-N 3.25Å; L152-D154 PolarHBondContact O-N 2.79Å; D154-R156 PolarHBondContact O-N 2.86Å
155L90.1Very high87.2Confident4 Ų439.6 Ų39.62%0.02121%0.208CC..  trans-67.4124-179-171.574.7000110.9V82 L152 L182 P183 I186V82-L155 HydrophobicContact CB-CD1 3.99Å; V82-L155 HydrophobicContact CB-CD2 4.47Å; V82-L155 HydrophobicContact CG2-CD1 3.53Å; V82-L155 HydrophobicContact CG2-CD2 4.32Å; L152-L155 HydrophobicContact CB-CB 4.32Å; L152-L155 HydrophobicContact CD2-CD1 4.48Å; L152-L155 VanDerWaalsContact O-CB 3.28Å; L152-L155 WeakPolarHBondContact O-CB 3.5Å; L152-L155 PolarHBondContact O-N 3.2Å; L155-L182 HydrophobicContact CD2-CD2 3.42Å; L155-L182 VanDerWaalsContact CD2-CD2 3.42Å; L155-P183 HydrophobicContact CB-CG 4.1Å; L155-P183 VanDerWaalsContact O-CG 3.3Å; L155-P183 WeakPolarHBondContact O-CG 3.48Å; L155-I186 HydrophobicContact CD2-CD1 4.38Å
156R89.3Confident86.8Confident126 Ų12639.3 Ų39.348%0.47521%0.206SC..  trans-101.4-39.7-179.9-56.4-177-165.7-152.24.5112.3E70 S80 D154 Q187E70-R156 VanDerWaalsContact CD-CZ 3.42Å; E70-R156 IonicContact OE1-CZ 2.7Å; E70-R156 IonicContact OE1-NE 4Å; E70-R156 IonicContact OE1-NH1 2.9Å; E70-R156 PolarHBondContact OE1-NH1 3.17Å; E70-R156 IonicContact OE2-CZ 2.63Å; E70-R156 IonicContact OE2-NE 2.99Å; E70-R156 PolarHBondContact OE2-NE 2.96Å; E70-R156 IonicContact OE2-NH1 3.68Å; E70-R156 PolarHBondContact OE2-NH1 3.11Å; E70-R156 IonicContact OE2-NH2 3.44Å; E70-R156 PolarHBondContact OE2-NH2 2.89Å; S80-R156 PolarHBondContact O-N 2.85Å; D154-R156 PolarHBondContact O-N 2.86Å; R156-Q187 PolarHBondContact O-N 3.13Å
157C92.6Very high86.2Confident6 Ų634.4 Ų34.44%0.04119%0.189CC..EExtended strand (participates in β ladder)trans-130133.4-173.7-171.70000111.6S80 V81 V82 Q187S80-C157 PolarHBondContact O-N 3.22Å; V81-C157 WeakPolarHBondContact CA-O 3.49Å; V81-C157 HydrophobicContact CG2-CB 4.38Å; V82-C157 PolarHBondContact N-O 3.14Å; V82-C157 VanDerWaalsContact N-O 3.11Å; C157-Q187 WeakPolarHBondContact CA-O 3.47Å
158I93.8Very high85.7Confident2 Ų234.6 Ų34.61%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-118.8125168.3-168.2165.7000109.7V82 L84 L178 L182 I186 Q187 A188 I189 L206V82-I158 WeakPolarHBondContact O-CA 3.48Å; L84-I158 HydrophobicContact CD1-CD1 4.06Å; I158-L178 HydrophobicContact CD1-CD2 3.9Å; I158-L182 HydrophobicContact CD1-CD1 4.25Å; I158-L182 HydrophobicContact CD1-CD2 4.24Å; I158-I186 HydrophobicContact CB-CG2 4.27Å; I158-I186 HydrophobicContact CG2-CG2 3.79Å; I158-Q187 PolarHBondContact N-O 3.41Å; I158-A188 HydrophobicContact CG2-CB 3.85Å; I158-A188 WeakPolarHBondContact O-CA 3.4Å; I158-I189 PolarHBondContact O-N 3.19Å; I158-L206 HydrophobicContact CD1-CD2 4.02Å
159V94.4Very high85.3Confident0 Ų032.6 Ų32.60%016%0.162CC..EExtended strand (participates in β ladder)trans-110.1133.4176.3-176.10000108.4F59 I63 V82 V83 L84 I189F59-V159 HydrophobicContact CD1-CG1 3.93Å; F59-V159 HydrophobicContact CD2-CG1 3.94Å; F59-V159 HydrophobicContact CD2-CG2 4.1Å; F59-V159 HydrophobicContact CE1-CG1 3.94Å; F59-V159 HydrophobicContact CE2-CG1 4.02Å; F59-V159 HydrophobicContact CG-CG1 3.91Å; F59-V159 HydrophobicContact CG-CG2 4.45Å; F59-V159 HydrophobicContact CZ-CG1 4.01Å; I63-V159 HydrophobicContact CD1-CG2 3.59Å; V82-V159 PolarHBondContact O-N 3.24Å; V83-V159 WeakPolarHBondContact CA-O 3.37Å; V83-V159 HydrophobicContact CB-CB 4.45Å; V83-V159 HydrophobicContact CG1-CB 4.15Å; V83-V159 HydrophobicContact CG1-CG1 4.27Å; V83-V159 HydrophobicContact CG2-CB 4.19Å; V83-V159 HydrophobicContact CG2-CG2 4.44Å; L84-V159 PolarHBondContact N-O 3.37Å; V159-I189 CarbonylContact C-O 3.45Å; V159-I189 WeakPolarHBondContact CA-O 3.25Å; V159-I189 HydrophobicContact CG1-CB 4.48Å; V159-I189 HydrophobicContact CG2-CB 4.28Å; V159-I189 HydrophobicContact CG2-CD1 4.29Å
160V92.8Very high85.1Confident0 Ų033 Ų330%018%0.175CC..EExtended strand (participates in β ladder)trans-119.3105173.5-173.30000107.6L84 A163 I166 I189 L190 M191 L206L84-V160 HydrophobicContact CB-CG2 4.46Å; L84-V160 HydrophobicContact CD1-CG2 4.34Å; V160-A163 HydrophobicContact CG1-CB 3.88Å; V160-I166 HydrophobicContact CG1-CD1 3.11Å; V160-I166 HydrophobicContact CG1-CG1 4.5Å; V160-I189 PolarHBondContact N-O 3.34Å; V160-L190 HydrophobicContact CB-CD2 3.57Å; V160-L190 HydrophobicContact CG1-CD2 4.31Å; V160-L190 HydrophobicContact CG2-CD2 3.62Å; V160-M191 PolarHBondContact O-N 3.41Å; V160-L206 HydrophobicContact CG2-CD1 3.96Å
161D90Very high85Confident4 Ų433 Ų332%0.02118%0.175CC..SBendtrans-87.9140.3177.1-156.66.6000111L84 P86 L90 A163L84-D161 PolarHBondContact O-N 2.88Å; P86-D161 WeakPolarHBondContact CD-O 3.32Å; L90-D161 HydrophobicContact CD2-CB 4.44Å; D161-A163 PolarHBondContact O-N 3.17Å
162E85.1Confident84.9Confident8 Ų832.9 Ų32.94%0.03717%0.167CC..SBendtrans45.259.7-172.6-57.6-88.9132.600112.4T51 K55 P86 L90 D164 L165 M191T51-E162 WeakPolarHBondContact CG2-OE1 3.36Å; K55-E162 IonicContact NZ-OE1 3.5Å; K55-E162 PolarHBondContact NZ-OE1 3.45Å; P86-E162 HydrophobicContact CG-CB 4.08Å; L90-E162 HydrophobicContact CD2-CB 4.11Å; L90-E162 HydrophobicContact CD2-CG 3.67Å; E162-D164 PolarHBondContact O-N 3.36Å; E162-L165 HydrophobicContact CB-CB 4.48Å; E162-L165 HydrophobicContact CB-CD1 3.79Å; E162-L165 HydrophobicContact CB-CG 4.34Å; E162-L165 HydrophobicContact CG-CD1 4.36Å; E162-L165 WeakPolarHBondContact O-CB 3.37Å; E162-L165 PolarHBondContact O-N 3.48Å; E162-L165 VanDerWaalsContact O-N 3.13Å; E162-M191 WeakPolarHBondContact CA-O 3.29Å; E162-M191 PolarHBondContact N-O 3.35Å
163A84.7Confident85Confident2 Ų236.7 Ų36.72%0.01719%0.187CC..Hα-helixtrans-62-24.3-174.100000114.5V160 D161 L165 I166 M191 I202V160-A163 HydrophobicContact CG1-CB 3.88Å; D161-A163 PolarHBondContact O-N 3.17Å; A163-L165 VanDerWaalsContact C-N 3.32Å; A163-I166 WeakPolarHBondContact O-CB 3.45Å; A163-I166 PolarHBondContact O-N 3.02Å; A163-M191 PolarHBondContact N-O 2.99Å; A163-I202 HydrophobicContact CB-CD1 4.05Å; A163-I202 WeakPolarHBondContact O-CD1 3.35Å
164D79.1Confident85.2Confident3 Ų331 Ų312%0.01616%0.163CC..Hα-helixtrans-66.2-32.6175.455.3-17000113.3E162 I166 T168 S192 T194E162-D164 PolarHBondContact O-N 3.36Å; D164-I166 VanDerWaalsContact C-N 3.29Å; D164-I166 PolarHBondContact O-N 2.81Å; D164-T168 PolarHBondContact O-OG1 2.88Å; D164-S192 WeakPolarHBondContact CB-OG 3.4Å; D164-T194 WeakPolarHBondContact CB-OG1 3.49Å; D164-T194 PolarHBondContact OD2-OG1 3.04Å
165L79.3Confident85.4Confident4 Ų426.2 Ų26.22%0.02114%0.137CC..Hα-helixtrans-70.9-23.7177.8-78.3175.8000113.5P86 E162 A163 F167 T168 F169 R345P86-L165 HydrophobicContact CB-CB 3.7Å; P86-L165 HydrophobicContact CB-CD1 4.5Å; P86-L165 HydrophobicContact CG-CB 3.61Å; P86-L165 HydrophobicContact CG-CD1 3.75Å; P86-L165 HydrophobicContact CG-CG 4.34Å; E162-L165 HydrophobicContact CB-CB 4.48Å; E162-L165 HydrophobicContact CB-CD1 3.79Å; E162-L165 HydrophobicContact CB-CG 4.34Å; E162-L165 HydrophobicContact CG-CD1 4.36Å; E162-L165 WeakPolarHBondContact O-CB 3.37Å; E162-L165 PolarHBondContact O-N 3.48Å; E162-L165 VanDerWaalsContact O-N 3.13Å; A163-L165 VanDerWaalsContact C-N 3.32Å; L165-F167 VanDerWaalsContact C-N 3.33Å; L165-F167 PolarHBondContact O-N 3.22Å; L165-T168 WeakPolarHBondContact O-CA 3.43Å; L165-T168 VanDerWaalsContact O-CB 3.28Å; L165-T168 WeakPolarHBondContact O-CB 3.39Å; L165-T168 PolarHBondContact O-N 2.92Å; L165-F169 HydrophobicContact CB-CD2 4.09Å; L165-F169 HydrophobicContact CB-CE2 3.95Å; L165-F169 HydrophobicContact CD1-CE2 4.4Å; L165-F169 HydrophobicContact CD2-CE2 3.94Å; L165-F169 HydrophobicContact CG-CE2 4.35Å; L165-F169 WeakPolarHBondContact O-CD2 3.43Å; L165-F169 PolarHBondContact O-N 3.46Å; L165-R345 HydrophobicContact CD1-CB 3.9Å; L165-R345 HydrophobicContact CD2-CB 3.84Å; L165-R345 HydrophobicContact CD2-CG 4.26Å; L165-R345 HydrophobicContact CG-CB 4.37Å
166I82Confident85.3Confident0 Ų031.4 Ų31.40%016%0.156CC..Hα-helixtrans-60.7-42.9-173.7-69.2179.6000112P86 V160 A163 D164 T168 F169 G170 Y171 I175 I202P86-I166 HydrophobicContact CB-CG1 4.41Å; V160-I166 HydrophobicContact CG1-CD1 3.11Å; V160-I166 HydrophobicContact CG1-CG1 4.5Å; A163-I166 WeakPolarHBondContact O-CB 3.45Å; A163-I166 PolarHBondContact O-N 3.02Å; D164-I166 VanDerWaalsContact C-N 3.29Å; D164-I166 PolarHBondContact O-N 2.81Å; I166-T168 VanDerWaalsContact C-N 3.34Å; I166-F169 PolarHBondContact O-N 2.9Å; I166-G170 PolarHBondContact O-N 3.27Å; I166-Y171 PolarHBondContact O-N 3.29Å; I166-I175 HydrophobicContact CB-CD1 4.48Å; I166-I175 HydrophobicContact CD1-CD1 3.91Å; I166-I175 HydrophobicContact CG2-CD1 3.31Å; I166-I175 HydrophobicContact CG2-CG1 4.32Å; I166-I202 HydrophobicContact CB-CD1 4.49Å; I166-I202 HydrophobicContact CD1-CD1 4.42Å
167F77Confident85.4Confident51 Ų5128 Ų2822%0.22415%0.148CC..Hα-helixtrans-70.2-34.1174.1-73.5-95.8000112L165 F169 G170 E172 T198 V201 I202L165-F167 VanDerWaalsContact C-N 3.33Å; L165-F167 PolarHBondContact O-N 3.22Å; F167-F169 PolarHBondContact O-N 2.92Å; F167-G170 PolarHBondContact O-N 3.27Å; F167-E172 HydrophobicContact CD1-CB 4.23Å; F167-E172 HydrophobicContact CD1-CG 4.36Å; F167-E172 HydrophobicContact CE1-CB 4.02Å; F167-E172 VanDerWaalsContact CE1-CD 3.49Å; F167-E172 HydrophobicContact CE1-CG 3.68Å; F167-E172 WeakPolarHBondContact CE1-OE2 3.37Å; F167-E172 HydrophobicContact CZ-CG 4.28Å; F167-T198 HydrophobicContact CB-CG2 4Å; F167-T198 HydrophobicContact CD1-CG2 4.4Å; F167-T198 HydrophobicContact CD2-CG2 3.56Å; F167-T198 VanDerWaalsContact CE2-CB 3.5Å; F167-T198 HydrophobicContact CE2-CG2 4.08Å; F167-T198 WeakPolarHBondContact CE2-O 3.39Å; F167-T198 HydrophobicContact CG-CG2 3.73Å; F167-V201 HydrophobicContact CE1-CB 4.33Å; F167-V201 HydrophobicContact CE1-CG1 4.03Å; F167-V201 HydrophobicContact CZ-CB 3.66Å; F167-V201 HydrophobicContact CZ-CG1 3.6Å; F167-I202 HydrophobicContact CD2-CD1 4.18Å; F167-I202 HydrophobicContact CE2-CD1 3.58Å; F167-I202 HydrophobicContact CE2-CG1 3.6Å; F167-I202 HydrophobicContact CZ-CG1 4.16Å
168T74.4Confident85.2Confident66 Ų6627.9 Ų27.941%0.40515%0.147SC..Hα-helixtrans-61.4-32.5177.1-52.50000111.1D164 L165 I166D164-T168 PolarHBondContact O-OG1 2.88Å; L165-T168 WeakPolarHBondContact O-CA 3.43Å; L165-T168 VanDerWaalsContact O-CB 3.28Å; L165-T168 WeakPolarHBondContact O-CB 3.39Å; L165-T168 PolarHBondContact O-N 2.92Å; I166-T168 VanDerWaalsContact C-N 3.34Å
169F75Confident84.9Confident20 Ų2032 Ų329%0.08816%0.162CC..THydrogen-bonded Turntrans-91.4-2.3175.7-68.1-66.1000114.3P86 T87 L165 I166 F167 Y171 V339 E340P86-F169 HydrophobicContact CB-CD2 3.59Å; P86-F169 HydrophobicContact CB-CE2 3.79Å; T87-F169 HydrophobicContact CG2-CE1 4.5Å; T87-F169 HydrophobicContact CG2-CE2 3.57Å; T87-F169 HydrophobicContact CG2-CZ 3.54Å; L165-F169 HydrophobicContact CB-CD2 4.09Å; L165-F169 HydrophobicContact CB-CE2 3.95Å; L165-F169 HydrophobicContact CD1-CE2 4.4Å; L165-F169 HydrophobicContact CD2-CE2 3.94Å; L165-F169 HydrophobicContact CG-CE2 4.35Å; L165-F169 WeakPolarHBondContact O-CD2 3.43Å; L165-F169 PolarHBondContact O-N 3.46Å; I166-F169 PolarHBondContact O-N 2.9Å; F167-F169 PolarHBondContact O-N 2.92Å; F169-Y171 HydrophobicContact CB-CD2 3.64Å; F169-Y171 HydrophobicContact CB-CE2 3.35Å; F169-Y171 HydrophobicContact CB-CG 4.41Å; F169-Y171 HydrophobicContact CD2-CE2 4.36Å; F169-Y171 HydrophobicContact CG-CE2 4.05Å; F169-V339 WeakPolarHBondContact CD1-O 3.49Å; F169-V339 VanDerWaalsContact CE1-O 3.32Å; F169-V339 WeakPolarHBondContact CE1-O 3.49Å; F169-E340 VanDerWaalsContact CE1-C 3.44Å
170G80Confident84.6Confident47 Ų4736.5 Ų36.549%0.48519%0.194SC..THydrogen-bonded Turntrans7919.2176.900000115.4I166 F167 E172I166-G170 PolarHBondContact O-N 3.27Å; F167-G170 PolarHBondContact O-N 3.27Å; G170-E172 PolarHBondContact O-N 3.4Å; G170-E172 VanDerWaalsContact O-N 3.14Å
171Y82.7Confident84.4Confident10 Ų1041 Ų414%0.03921%0.211CC..THydrogen-bonded Turntrans-81.620.8-177.6-58.7-51000114.9P86 P138 S139 I166 F169 E174 I175 E340P86-Y171 WeakPolarHBondContact O-CE2 3.26Å; P86-Y171 PolarHBondContact O-OH 2.89Å; P138-Y171 HydrophobicContact CB-CD1 4.47Å; P138-Y171 HydrophobicContact CB-CG 4.13Å; P138-Y171 HydrophobicContact CG-CD2 4.04Å; P138-Y171 HydrophobicContact CG-CG 4.07Å; S139-Y171 WeakPolarHBondContact OG-CD1 3.49Å; S139-Y171 WeakPolarHBondContact OG-CE1 3.33Å; I166-Y171 PolarHBondContact O-N 3.29Å; F169-Y171 HydrophobicContact CB-CD2 3.64Å; F169-Y171 HydrophobicContact CB-CE2 3.35Å; F169-Y171 HydrophobicContact CB-CG 4.41Å; F169-Y171 HydrophobicContact CD2-CE2 4.36Å; F169-Y171 HydrophobicContact CG-CE2 4.05Å; Y171-E174 VanDerWaalsContact CA-OE2 3.28Å; Y171-E174 WeakPolarHBondContact CA-OE2 3.46Å; Y171-I175 PolarHBondContact O-N 2.8Å; Y171-E340 WeakPolarHBondContact OH-CG 3.41Å; Y171-E340 PolarHBondContact OH-OE1 3.1Å
172E84.2Confident84.2Confident67 Ų6742.1 Ų42.131%0.31322%0.217SC..Hα-helixtrans-64.2-46.2-176.4-174.6179.9174.600111.2F167 G170 E174 I175 R176 Y205F167-E172 HydrophobicContact CD1-CB 4.23Å; F167-E172 HydrophobicContact CD1-CG 4.36Å; F167-E172 HydrophobicContact CE1-CB 4.02Å; F167-E172 VanDerWaalsContact CE1-CD 3.49Å; F167-E172 HydrophobicContact CE1-CG 3.68Å; F167-E172 WeakPolarHBondContact CE1-OE2 3.37Å; F167-E172 HydrophobicContact CZ-CG 4.28Å; G170-E172 PolarHBondContact O-N 3.4Å; G170-E172 VanDerWaalsContact O-N 3.14Å; E172-E174 VanDerWaalsContact C-N 3.33Å; E172-E174 PolarHBondContact O-N 3.01Å; E172-I175 PolarHBondContact O-N 2.71Å; E172-R176 PolarHBondContact O-N 2.63Å; E172-Y205 HydrophobicContact CG-CE2 3.79Å; E172-Y205 PolarHBondContact OE1-OH 3.46Å
173D87.1Confident84.3Confident86 Ų8643.6 Ų43.646%0.4623%0.227SC..Hα-helixtrans-64-39.7-178.2-70.8-41.1000111.3I175 R176 D177D173-I175 PolarHBondContact O-N 2.82Å; D173-R176 WeakPolarHBondContact O-CB 3.41Å; D173-R176 PolarHBondContact O-N 3.01Å; D173-R176 IonicContact OD1-CZ 3.41Å; D173-R176 IonicContact OD1-NH1 2.75Å; D173-R176 PolarHBondContact OD1-NH1 3.3Å; D173-R176 IonicContact OD1-NH2 3.62Å; D173-R176 PolarHBondContact OD1-NH2 2.89Å; D173-D177 WeakPolarHBondContact O-CB 3.5Å; D173-D177 PolarHBondContact O-N 2.87Å
174E89.8Confident84Confident43 Ų4352.8 Ų52.820%0.20127%0.27CS..Hα-helixtrans-66.1-37.1177.5-69.498.4143.800113.2P138 S139 M142 Y171 E172 D177 L178P138-E174 HydrophobicContact CB-CB 4.18Å; S139-E174 PolarHBondContact OG-OE1 2.88Å; M142-E174 HydrophobicContact CB-CG 4.47Å; M142-E174 HydrophobicContact CG-CB 3.79Å; M142-E174 HydrophobicContact CG-CG 4.09Å; Y171-E174 VanDerWaalsContact CA-OE2 3.28Å; Y171-E174 WeakPolarHBondContact CA-OE2 3.46Å; E172-E174 VanDerWaalsContact C-N 3.33Å; E172-E174 PolarHBondContact O-N 3.01Å; E174-D177 PolarHBondContact O-N 2.89Å; E174-L178 VanDerWaalsContact O-CB 3.3Å; E174-L178 WeakPolarHBondContact O-CB 3.11Å; E174-L178 PolarHBondContact O-N 3.27Å
175I89Confident84.3Confident2 Ų262 Ų621%0.0131%0.31CS..Hα-helixtrans-69.8-37.7174.9-68.6-175.4000111I166 Y171 E172 D173 D177 L178 I202 Y205 L206I166-I175 HydrophobicContact CB-CD1 4.48Å; I166-I175 HydrophobicContact CD1-CD1 3.91Å; I166-I175 HydrophobicContact CG2-CD1 3.31Å; I166-I175 HydrophobicContact CG2-CG1 4.32Å; Y171-I175 PolarHBondContact O-N 2.8Å; E172-I175 PolarHBondContact O-N 2.71Å; D173-I175 PolarHBondContact O-N 2.82Å; I175-D177 VanDerWaalsContact C-N 3.33Å; I175-L178 WeakPolarHBondContact O-CB 3.3Å; I175-L178 PolarHBondContact O-N 3.45Å; I175-I202 HydrophobicContact CD1-CG1 4.34Å; I175-Y205 HydrophobicContact CG2-CD2 4.26Å; I175-L206 HydrophobicContact CG2-CD2 4.28Å
176R89.6Confident84.7Confident112 Ų11262.6 Ų62.642%0.42331%0.313SS..Hα-helixtrans-60.6-45.5173.9-174.5-177.266.9-138.7-8110.8E172 D173 R179 Y205E172-R176 PolarHBondContact O-N 2.63Å; D173-R176 WeakPolarHBondContact O-CB 3.41Å; D173-R176 PolarHBondContact O-N 3.01Å; D173-R176 IonicContact OD1-CZ 3.41Å; D173-R176 IonicContact OD1-NH1 2.75Å; D173-R176 PolarHBondContact OD1-NH1 3.3Å; D173-R176 IonicContact OD1-NH2 3.62Å; D173-R176 PolarHBondContact OD1-NH2 2.89Å; R176-R179 VanDerWaalsContact O-CB 3.26Å; R176-R179 WeakPolarHBondContact O-CB 3.36Å; R176-Y205 HydrophobicContact CB-CD1 4.4Å; R176-Y205 HydrophobicContact CB-CE1 4.42Å; R176-Y205 HydrophobicContact CG-CD1 4.25Å; R176-Y205 HydrophobicContact CG-CE1 4.13Å
177D89.8Confident85.2Confident54 Ų5463.6 Ų63.629%0.28932%0.318SS..Hα-helixtrans-67.6-36.9178.4-73.10.6000112.3M142 R146 D173 E174 I175 R179 S180M142-D177 HydrophobicContact CE-CB 3.47Å; M142-D177 VanDerWaalsContact CE-CB 3.47Å; M142-D177 HydrophobicContact SD-CB 4.45Å; R146-D177 IonicContact CZ-OD2 2.81Å; R146-D177 IonicContact NH2-OD2 3.12Å; R146-D177 PolarHBondContact NH2-OD2 3.44Å; D173-D177 WeakPolarHBondContact O-CB 3.5Å; D173-D177 PolarHBondContact O-N 2.87Å; E174-D177 PolarHBondContact O-N 2.89Å; I175-D177 VanDerWaalsContact C-N 3.33Å; D177-R179 PolarHBondContact O-N 3.49Å; D177-R179 VanDerWaalsContact O-N 3.14Å; D177-S180 WeakPolarHBondContact O-CB 3.46Å; D177-S180 PolarHBondContact O-N 3.07Å; D177-S180 PolarHBondContact O-OG 2.99Å
178L89.7Confident85.9Confident4 Ų461.2 Ų61.22%0.02131%0.307CS..Hα-helixtrans-55.1-35-179.7-177.164.1000111.8L84 L141 M142 L145 L152 I158 E174 I175 S180 Y181 L182L84-L178 HydrophobicContact CD1-CD2 3.78Å; L141-L178 HydrophobicContact CD2-CD1 3.95Å; L141-L178 HydrophobicContact CD2-CD2 4.47Å; M142-L178 HydrophobicContact SD-CB 3.88Å; M142-L178 HydrophobicContact SD-CD1 3.92Å; L145-L178 HydrophobicContact CD1-CD1 3.42Å; L145-L178 VanDerWaalsContact CD1-CD1 3.42Å; L152-L178 HydrophobicContact CD1-CD1 4.4Å; I158-L178 HydrophobicContact CD1-CD2 3.9Å; E174-L178 VanDerWaalsContact O-CB 3.3Å; E174-L178 WeakPolarHBondContact O-CB 3.11Å; E174-L178 PolarHBondContact O-N 3.27Å; I175-L178 WeakPolarHBondContact O-CB 3.3Å; I175-L178 PolarHBondContact O-N 3.45Å; L178-S180 PolarHBondContact O-N 2.65Å; L178-S180 VanDerWaalsContact O-N 3.07Å; L178-Y181 PolarHBondContact O-N 3.2Å; L178-L182 HydrophobicContact CD2-CD1 4.46Å; L178-L182 HydrophobicContact CG-CD1 4.14Å; L178-L182 HydrophobicContact CG-CD2 4.41Å; L178-L182 HydrophobicContact CG-CG 4.19Å; L178-L182 WeakPolarHBondContact O-CG 3.37Å; L178-L182 PolarHBondContact O-N 3.36Å
179R87.4Confident86.8Confident90 Ų9058 Ų5834%0.3429%0.288SS..G310 helixtrans-48.3-37176.1-173.6-164.4177.499.912.4113.6R176 D177 Y181 L182 R204 Y205 K208R176-R179 VanDerWaalsContact O-CB 3.26Å; R176-R179 WeakPolarHBondContact O-CB 3.36Å; D177-R179 PolarHBondContact O-N 3.49Å; D177-R179 VanDerWaalsContact O-N 3.14Å; R179-Y181 PolarHBondContact O-N 3.07Å; R179-L182 PolarHBondContact O-N 3.24Å; R179-R204 PolarHBondContact NH1-O 3.3Å; R179-Y205 WeakPolarHBondContact CG-O 3.43Å; R179-Y205 PolarHBondContact NH1-O 2.69Å; R179-Y205 VanDerWaalsContact NH1-O 3.17Å; R179-K208 VanDerWaalsContact CZ-CE 3.44Å; R179-K208 VanDerWaalsContact NH1-CE 3.32Å
180S87.4Confident87.6Confident94 Ų9457.2 Ų57.266%0.65728%0.284SS*.G310 helixtrans-65.6-23.1-178.363.60000113.6D177 L178D177-S180 WeakPolarHBondContact O-CB 3.46Å; D177-S180 PolarHBondContact O-N 3.07Å; D177-S180 PolarHBondContact O-OG 2.99Å; L178-S180 PolarHBondContact O-N 2.65Å; L178-S180 VanDerWaalsContact O-N 3.07Å
181Y88.3Confident88.1Confident95 Ų9555 Ų5537%0.37326%0.261SS..G310 helixtrans-97.9-9.2-179.6-62.1-82.9000113.4M142 L145 L178 R179M142-Y181 HydrophobicContact CE-CD2 4.3Å; M142-Y181 HydrophobicContact CE-CE2 3.88Å; L145-Y181 HydrophobicContact CB-CD1 4.44Å; L145-Y181 HydrophobicContact CB-CD2 4.48Å; L145-Y181 HydrophobicContact CB-CE1 4.41Å; L145-Y181 HydrophobicContact CB-CE2 4.46Å; L145-Y181 HydrophobicContact CB-CG 4.48Å; L145-Y181 HydrophobicContact CD1-CD2 4.25Å; L145-Y181 HydrophobicContact CD1-CG 4.26Å; L178-Y181 PolarHBondContact O-N 3.2Å; R179-Y181 PolarHBondContact O-N 3.07Å
182L87.5Confident88.2Confident26 Ų2654.8 Ų54.814%0.13626%0.261CS..SBendtrans-88.2136.2-173.9-71.1-179.6000111.8L152 L155 I158 L178 R179 I186 L206L152-L182 HydrophobicContact CD1-CD2 4.39Å; L155-L182 HydrophobicContact CD2-CD2 3.42Å; L155-L182 VanDerWaalsContact CD2-CD2 3.42Å; I158-L182 HydrophobicContact CD1-CD1 4.25Å; I158-L182 HydrophobicContact CD1-CD2 4.24Å; L178-L182 HydrophobicContact CD2-CD1 4.46Å; L178-L182 HydrophobicContact CG-CD1 4.14Å; L178-L182 HydrophobicContact CG-CD2 4.41Å; L178-L182 HydrophobicContact CG-CG 4.19Å; L178-L182 WeakPolarHBondContact O-CG 3.37Å; L178-L182 PolarHBondContact O-N 3.36Å; R179-L182 PolarHBondContact O-N 3.24Å; L182-I186 HydrophobicContact CB-CD1 3.58Å; L182-I186 HydrophobicContact CD1-CD1 4.38Å; L182-I186 HydrophobicContact CD2-CD1 3.9Å; L182-I186 HydrophobicContact CG-CD1 4.14Å; L182-L206 HydrophobicContact CD1-CD2 4.12Å
183P86Confident87.9Confident39 Ų3952.4 Ų52.425%0.25325%0.253SS..  trans-63162.6171.320.3-28.7000113.6L152 L155 K185 I186L152-P183 WeakPolarHBondContact O-CD 3.22Å; L155-P183 HydrophobicContact CB-CG 4.1Å; L155-P183 VanDerWaalsContact O-CG 3.3Å; L155-P183 WeakPolarHBondContact O-CG 3.48Å; P183-K185 PolarHBondContact O-N 2.9Å; P183-I186 HydrophobicContact CB-CG1 4.37Å; P183-I186 VanDerWaalsContact CD-CD1 3.49Å; P183-I186 HydrophobicContact CG-CD1 3.7Å; P183-I186 HydrophobicContact CG-CG1 3.69Å; P183-I186 WeakPolarHBondContact O-CD1 3.39Å; P183-I186 WeakPolarHBondContact O-CG1 3.45Å
184Q79.4Confident87.2Confident195 Ų19548.8 Ų48.891%0.91123%0.234SC*.SBendtrans-70.6-30.7-175.8-68.8-175.4-7.300113.9
185K84.6Confident86.4Confident196 Ų19650.3 Ų50.385%0.85224%0.243SC*.SBendtrans-111.298.4-178.6-67.4-175.6-179.6-179.40109.2P183P183-K185 PolarHBondContact O-N 2.9Å
186I88.5Confident85.6Confident18 Ų1853.6 Ų53.69%0.09226%0.261CS..  trans-134.5141.1179.8-59174.1000109.2L155 I158 L182 P183L155-I186 HydrophobicContact CD2-CD1 4.38Å; I158-I186 HydrophobicContact CB-CG2 4.27Å; I158-I186 HydrophobicContact CG2-CG2 3.79Å; L182-I186 HydrophobicContact CB-CD1 3.58Å; L182-I186 HydrophobicContact CD1-CD1 4.38Å; L182-I186 HydrophobicContact CD2-CD1 3.9Å; L182-I186 HydrophobicContact CG-CD1 4.14Å; P183-I186 HydrophobicContact CB-CG1 4.37Å; P183-I186 VanDerWaalsContact CD-CD1 3.49Å; P183-I186 HydrophobicContact CG-CD1 3.7Å; P183-I186 HydrophobicContact CG-CG1 3.69Å; P183-I186 WeakPolarHBondContact O-CD1 3.39Å; P183-I186 WeakPolarHBondContact O-CG1 3.45Å
187Q90.8Very high84.8Confident21 Ų2153.5 Ų53.510%0.09827%0.269CS..EExtended strand (participates in β ladder)trans-83.6120.9165.4-175.318014.200110.1V39 K43 R156 C157 I158 I189V39-Q187 PolarHBondContact O-NE2 3.43Å; V39-Q187 VanDerWaalsContact O-NE2 3.14Å; K43-Q187 WeakPolarHBondContact O-CG 3.15Å; K43-Q187 PolarHBondContact O-NE2 3.05Å; R156-Q187 PolarHBondContact O-N 3.13Å; C157-Q187 WeakPolarHBondContact CA-O 3.47Å; I158-Q187 PolarHBondContact N-O 3.41Å; Q187-I189 HydrophobicContact CG-CG1 4.49Å
188A92.4Very high84Confident0 Ų052.3 Ų52.30%026%0.263CS..EExtended strand (participates in β ladder)trans-106.4130.7175.900000111.4C44 L45 I158 L206 V207 W212C44-A188 CarbonylContact C-O 3.49Å; C44-A188 VanDerWaalsContact CA-O 3.29Å; C44-A188 WeakPolarHBondContact CA-O 3.34Å; C44-A188 PolarHBondContact SG-N 2.84Å; L45-A188 PolarHBondContact N-O 2.87Å; I158-A188 HydrophobicContact CG2-CB 3.85Å; I158-A188 WeakPolarHBondContact O-CA 3.4Å; A188-L206 HydrophobicContact CB-CD1 4.46Å; A188-V207 HydrophobicContact CB-CG2 3.97Å; A188-W212 HydrophobicContact CB-CH2 3.59Å; A188-W212 HydrophobicContact CB-CZ2 4.42Å; A188-W212 HydrophobicContact CB-CZ3 4.09Å
189I93.6Very high83.4Confident0 Ų052.4 Ų52.40%026%0.264CS..EExtended strand (participates in β ladder)trans-120.7112.3177.2-58.3173.6000108.4V39 L45 F59 I63 I158 V159 V160 Q187 M191V39-I189 HydrophobicContact CG1-CD1 4.06Å; V39-I189 HydrophobicContact CG2-CD1 3.81Å; L45-I189 HydrophobicContact CB-CG2 4.47Å; F59-I189 HydrophobicContact CB-CD1 4.4Å; F59-I189 HydrophobicContact CB-CG2 4.47Å; I63-I189 HydrophobicContact CD1-CD1 4.33Å; I158-I189 PolarHBondContact O-N 3.19Å; V159-I189 CarbonylContact C-O 3.45Å; V159-I189 WeakPolarHBondContact CA-O 3.25Å; V159-I189 HydrophobicContact CG1-CB 4.48Å; V159-I189 HydrophobicContact CG2-CB 4.28Å; V159-I189 HydrophobicContact CG2-CD1 4.29Å; V160-I189 PolarHBondContact N-O 3.34Å; Q187-I189 HydrophobicContact CG-CG1 4.49Å; I189-M191 HydrophobicContact CG2-CE 3.38Å; I189-M191 HydrophobicContact CG2-CG 4.35Å
190L92.1Very high83.2Confident2 Ų253.3 Ų53.31%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-103.2117.9177.6-59.2-179000109.6L45 I46 V47 V160 I202 R203 L206 W212L45-L190 PolarHBondContact O-N 2.93Å; I46-L190 WeakPolarHBondContact CA-O 3.4Å; I46-L190 HydrophobicContact CD1-CD1 4.43Å; I46-L190 HydrophobicContact CG1-CB 4.46Å; I46-L190 HydrophobicContact CG1-CD1 4.46Å; V47-L190 PolarHBondContact N-O 3.14Å; V160-L190 HydrophobicContact CB-CD2 3.57Å; V160-L190 HydrophobicContact CG1-CD2 4.31Å; V160-L190 HydrophobicContact CG2-CD2 3.62Å; L190-I202 HydrophobicContact CD1-CG2 4.07Å; L190-I202 HydrophobicContact CD2-CG2 3.66Å; L190-R203 HydrophobicContact CD1-CG 3.72Å; L190-L206 HydrophobicContact CD2-CD1 3.8Å; L190-W212 HydrophobicContact CD1-CH2 3.77Å; L190-W212 HydrophobicContact CD1-CZ3 3.78Å; L190-W212 HydrophobicContact CG-CH2 4.03Å; L190-W212 HydrophobicContact CG-CZ3 3.86Å
191M90.3Very high83Confident0 Ų050.6 Ų50.60%025%0.25CC..EExtended strand (participates in β ladder)trans-106.3123.4174.8-60.9-82.2167.100108.2V35 V47 K55 F59 V160 E162 A163 I189V35-M191 HydrophobicContact CG1-CE 4.13Å; V47-M191 HydrophobicContact CB-CE 3.99Å; V47-M191 HydrophobicContact CB-SD 3.46Å; V47-M191 WeakPolarHBondContact CB-SD 3.2Å; V47-M191 HydrophobicContact CG1-CE 4.32Å; V47-M191 HydrophobicContact CG1-SD 3.66Å; V47-M191 HydrophobicContact CG2-CE 3.68Å; V47-M191 HydrophobicContact CG2-SD 3.89Å; K55-M191 HydrophobicContact CB-SD 4.14Å; K55-M191 HydrophobicContact CD-CB 4.42Å; K55-M191 HydrophobicContact CD-SD 4.5Å; K55-M191 HydrophobicContact CG-SD 4.39Å; F59-M191 HydrophobicContact CB-CE 3.95Å; F59-M191 HydrophobicContact CD1-CE 3.89Å; F59-M191 HydrophobicContact CD1-CG 4.17Å; F59-M191 HydrophobicContact CD1-SD 4.45Å; F59-M191 HydrophobicContact CE1-CG 4.5Å; F59-M191 HydrophobicContact CG-CE 4.42Å; V160-M191 PolarHBondContact O-N 3.41Å; E162-M191 WeakPolarHBondContact CA-O 3.29Å; E162-M191 PolarHBondContact N-O 3.35Å; A163-M191 PolarHBondContact N-O 2.99Å; I189-M191 HydrophobicContact CG2-CE 3.38Å; I189-M191 HydrophobicContact CG2-CG 4.35Å
192S84.9Confident82.8Confident7 Ų746.1 Ų46.15%0.04923%0.232CC..EExtended strand (participates in β ladder)trans-139.8148.5178.9-171.10000111.1V47 H48 A49 D164 T194V47-S192 PolarHBondContact O-N 2.89Å; H48-S192 WeakPolarHBondContact CA-O 3.37Å; A49-S192 PolarHBondContact N-O 2.92Å; D164-S192 WeakPolarHBondContact CB-OG 3.4Å; S192-T194 WeakPolarHBondContact CB-O 3.32Å; S192-T194 PolarHBondContact OG-N 2.85Å; S192-T194 PolarHBondContact OG-O 2.87Å
193A77.4Confident82.7Confident16 Ų1647.4 Ų47.413%0.13224%0.236CC..SBendtrans-85.7-19.2170.200000112.4H48H48-A193 VanDerWaalsContact CE1-C 3.42Å; H48-A193 PolarHBondContact CE1-O 2.88Å
194T73Confident82.6Confident11 Ų1153.8 Ų53.87%0.06725%0.254CS..SBendtrans-126148.4-177.755.20000110.4D164 S192 D196D164-T194 WeakPolarHBondContact CB-OG1 3.49Å; D164-T194 PolarHBondContact OD2-OG1 3.04Å; S192-T194 WeakPolarHBondContact CB-O 3.32Å; S192-T194 PolarHBondContact OG-N 2.85Å; S192-T194 PolarHBondContact OG-O 2.87Å; T194-D196 PolarHBondContact OG1-OD2 3.26Å
195L72.7Confident82.8Confident75 Ų7547 Ų4739%0.39322%0.221SC..  trans-100.972.9175.1-171.283000109.3
196D71.5Confident82.8Confident70 Ų7038.3 Ų38.337%0.37418%0.184SC..  trans-94.5161.1-179.5-65.6-9.4000110.9T194 T198 S199T194-D196 PolarHBondContact OG1-OD2 3.26Å; D196-T198 HydrophobicContact CB-CG2 4.23Å; D196-T198 VanDerWaalsContact CB-OG1 3.27Å; D196-T198 WeakPolarHBondContact CB-OG1 3.49Å; D196-T198 PolarHBondContact O-N 3.48Å; D196-T198 VanDerWaalsContact O-N 3.11Å; D196-S199 WeakPolarHBondContact O-CB 3.32Å; D196-S199 PolarHBondContact O-N 3.37Å; D196-S199 PolarHBondContact O-OG 3.26Å
197D74.1Confident82.4Confident111 Ų11138.6 Ų38.659%0.59419%0.186SC*.Hα-helixtrans-58.5-21.2173.2-75.4-37.8000112.6S199 K200 V201D197-S199 PolarHBondContact O-N 3.43Å; D197-K200 VanDerWaalsContact O-CB 3.3Å; D197-K200 WeakPolarHBondContact O-CB 3.3Å; D197-K200 PolarHBondContact O-N 3.18Å; D197-K200 WeakPolarHBondContact OD1-CE 3.13Å; D197-K200 IonicContact OD1-NZ 3.86Å; D197-K200 PolarHBondContact OD1-NZ 3.49Å; D197-V201 PolarHBondContact O-N 3.09Å
198T73.6Confident81.4Confident29 Ų2944.6 Ų44.618%0.17821%0.212CC..Hα-helixtrans-51.7-41.3170.757.40000112.1F167 D196 K200 V201 I202F167-T198 HydrophobicContact CB-CG2 4Å; F167-T198 HydrophobicContact CD1-CG2 4.4Å; F167-T198 HydrophobicContact CD2-CG2 3.56Å; F167-T198 VanDerWaalsContact CE2-CB 3.5Å; F167-T198 HydrophobicContact CE2-CG2 4.08Å; F167-T198 WeakPolarHBondContact CE2-O 3.39Å; F167-T198 HydrophobicContact CG-CG2 3.73Å; D196-T198 HydrophobicContact CB-CG2 4.23Å; D196-T198 VanDerWaalsContact CB-OG1 3.27Å; D196-T198 WeakPolarHBondContact CB-OG1 3.49Å; D196-T198 PolarHBondContact O-N 3.48Å; D196-T198 VanDerWaalsContact O-N 3.11Å; T198-K200 PolarHBondContact O-N 2.83Å; T198-V201 PolarHBondContact O-N 3.03Å; T198-V201 VanDerWaalsContact O-N 3.16Å; T198-I202 PolarHBondContact O-N 3.21Å
199S76.3Confident80.2Confident6 Ų652.2 Ų52.24%0.04225%0.253CS..Hα-helixtrans-64.1-32.1178.372.90000111.6D196 D197 R203D196-S199 WeakPolarHBondContact O-CB 3.32Å; D196-S199 PolarHBondContact O-N 3.37Å; D196-S199 PolarHBondContact O-OG 3.26Å; D197-S199 PolarHBondContact O-N 3.43Å; S199-R203 WeakPolarHBondContact O-CG 3.27Å; S199-R203 PolarHBondContact O-N 3.1Å; S199-R203 VanDerWaalsContact O-N 3.15Å; S199-R203 PolarHBondContact O-NE 3.33Å; S199-R203 VanDerWaalsContact O-NE 3.17Å; S199-R203 PolarHBondContact OG-NH2 3.01Å; S199-R203 VanDerWaalsContact OG-NH2 3.15Å
200K82.3Confident79.2Confident109 Ų10953.4 Ų53.447%0.47426%0.263SS..Hα-helixtrans-69.6-38.2177.2-60.3174.3-177.8160.80110.9D197 T198 R204D197-K200 VanDerWaalsContact O-CB 3.3Å; D197-K200 WeakPolarHBondContact O-CB 3.3Å; D197-K200 PolarHBondContact O-N 3.18Å; D197-K200 WeakPolarHBondContact OD1-CE 3.13Å; D197-K200 IonicContact OD1-NZ 3.86Å; D197-K200 PolarHBondContact OD1-NZ 3.49Å; T198-K200 PolarHBondContact O-N 2.83Å; K200-R204 WeakPolarHBondContact O-CG 3.46Å; K200-R204 PolarHBondContact O-N 3.48Å
201V83.8Confident78.8Confident36 Ų3660.5 Ų60.522%0.21830%0.301CS..Hα-helixtrans-67.8-46.7178.9178.50000110.5F167 D197 T198 R203 R204 Y205F167-V201 HydrophobicContact CE1-CB 4.33Å; F167-V201 HydrophobicContact CE1-CG1 4.03Å; F167-V201 HydrophobicContact CZ-CB 3.66Å; F167-V201 HydrophobicContact CZ-CG1 3.6Å; D197-V201 PolarHBondContact O-N 3.09Å; T198-V201 PolarHBondContact O-N 3.03Å; T198-V201 VanDerWaalsContact O-N 3.16Å; V201-R203 VanDerWaalsContact C-N 3.32Å; V201-R203 PolarHBondContact O-N 2.83Å; V201-R204 WeakPolarHBondContact O-CB 3.39Å; V201-R204 PolarHBondContact O-N 3.08Å; V201-R204 VanDerWaalsContact O-N 3.13Å; V201-Y205 HydrophobicContact CG1-CD2 3.88Å; V201-Y205 HydrophobicContact CG1-CE2 3.21Å; V201-Y205 WeakPolarHBondContact O-CD2 3.41Å; V201-Y205 PolarHBondContact O-N 3.23Å
202I84.7Confident78.5Confident1 Ų163.3 Ų63.31%0.00531%0.311CS..Hα-helixtrans-59.2-42.4176.3-72.2161.8000111.5A163 I166 F167 I175 L190 T198 R204 Y205 L206A163-I202 HydrophobicContact CB-CD1 4.05Å; A163-I202 WeakPolarHBondContact O-CD1 3.35Å; I166-I202 HydrophobicContact CB-CD1 4.49Å; I166-I202 HydrophobicContact CD1-CD1 4.42Å; F167-I202 HydrophobicContact CD2-CD1 4.18Å; F167-I202 HydrophobicContact CE2-CD1 3.58Å; F167-I202 HydrophobicContact CE2-CG1 3.6Å; F167-I202 HydrophobicContact CZ-CG1 4.16Å; I175-I202 HydrophobicContact CD1-CG1 4.34Å; L190-I202 HydrophobicContact CD1-CG2 4.07Å; L190-I202 HydrophobicContact CD2-CG2 3.66Å; T198-I202 PolarHBondContact O-N 3.21Å; I202-R204 VanDerWaalsContact C-N 3.3Å; I202-R204 PolarHBondContact O-N 3.04Å; I202-Y205 PolarHBondContact O-N 2.65Å; I202-L206 HydrophobicContact CG2-CD1 3.57Å; I202-L206 HydrophobicContact CG2-CG 4.03Å; I202-L206 WeakPolarHBondContact O-CG 3.48Å; I202-L206 PolarHBondContact O-N 3.17Å
203R85.3Confident78.6Confident54 Ų5465 Ų6520%0.20432%0.321CS..Hα-helixtrans-54.6-46.4176-71.6169.9-136.3-152.3-5.9111.7I46 L190 S199 V201 Y205 L206 V207 W212I46-R203 VanDerWaalsContact CD1-CD 3.43Å; I46-R203 HydrophobicContact CD1-CG 3.91Å; I46-R203 VanDerWaalsContact CD1-NH2 3.25Å; L190-R203 HydrophobicContact CD1-CG 3.72Å; S199-R203 WeakPolarHBondContact O-CG 3.27Å; S199-R203 PolarHBondContact O-N 3.1Å; S199-R203 VanDerWaalsContact O-N 3.15Å; S199-R203 PolarHBondContact O-NE 3.33Å; S199-R203 VanDerWaalsContact O-NE 3.17Å; S199-R203 PolarHBondContact OG-NH2 3.01Å; S199-R203 VanDerWaalsContact OG-NH2 3.15Å; V201-R203 VanDerWaalsContact C-N 3.32Å; V201-R203 PolarHBondContact O-N 2.83Å; R203-Y205 VanDerWaalsContact C-N 3.32Å; R203-Y205 PolarHBondContact O-N 2.92Å; R203-L206 PolarHBondContact O-N 2.89Å; R203-V207 CarbonylContact O-C 3.55Å; R203-V207 PolarHBondContact O-N 3.41Å; R203-W212 HydrophobicContact CB-CH2 4.44Å; R203-W212 HydrophobicContact CB-CZ2 3.74Å; R203-W212 HydrophobicContact CG-CD2 3.99Å; R203-W212 HydrophobicContact CG-CE3 4.36Å; R203-W212 HydrophobicContact CG-CH2 3.94Å; R203-W212 HydrophobicContact CG-CZ2 3.61Å; R203-W212 HydrophobicContact CG-CZ3 4.32Å
204R84.2Confident79.1Confident172 Ų17271 Ų7165%0.64934%0.34SS*.Hα-helixtrans-63.2-37.5-179.4-69.7174.5-175.2170.21.6112.3R179 K200 V201 I202R179-R204 PolarHBondContact NH1-O 3.3Å; K200-R204 WeakPolarHBondContact O-CG 3.46Å; K200-R204 PolarHBondContact O-N 3.48Å; V201-R204 WeakPolarHBondContact O-CB 3.39Å; V201-R204 PolarHBondContact O-N 3.08Å; V201-R204 VanDerWaalsContact O-N 3.13Å; I202-R204 VanDerWaalsContact C-N 3.3Å; I202-R204 PolarHBondContact O-N 3.04Å
205Y83.9Confident79.7Confident52 Ų5271.1 Ų71.120%0.20434%0.341CS..Hα-helixtrans-72.6-45.6179.6-64.2-36.2000112E172 I175 R176 R179 V201 I202 R203E172-Y205 HydrophobicContact CG-CE2 3.79Å; E172-Y205 PolarHBondContact OE1-OH 3.46Å; I175-Y205 HydrophobicContact CG2-CD2 4.26Å; R176-Y205 HydrophobicContact CB-CD1 4.4Å; R176-Y205 HydrophobicContact CB-CE1 4.42Å; R176-Y205 HydrophobicContact CG-CD1 4.25Å; R176-Y205 HydrophobicContact CG-CE1 4.13Å; R179-Y205 WeakPolarHBondContact CG-O 3.43Å; R179-Y205 PolarHBondContact NH1-O 2.69Å; R179-Y205 VanDerWaalsContact NH1-O 3.17Å; V201-Y205 HydrophobicContact CG1-CD2 3.88Å; V201-Y205 HydrophobicContact CG1-CE2 3.21Å; V201-Y205 WeakPolarHBondContact O-CD2 3.41Å; V201-Y205 PolarHBondContact O-N 3.23Å; I202-Y205 PolarHBondContact O-N 2.65Å; R203-Y205 VanDerWaalsContact C-N 3.32Å; R203-Y205 PolarHBondContact O-N 2.92Å
206L83.2Confident80Confident14 Ų1471.4 Ų71.47%0.07334%0.341CS..Hα-helixtrans-72.4-58.2-177.4-65.3179000112.8I158 V160 I175 L182 A188 L190 I202 R203I158-L206 HydrophobicContact CD1-CD2 4.02Å; V160-L206 HydrophobicContact CG2-CD1 3.96Å; I175-L206 HydrophobicContact CG2-CD2 4.28Å; L182-L206 HydrophobicContact CD1-CD2 4.12Å; A188-L206 HydrophobicContact CB-CD1 4.46Å; L190-L206 HydrophobicContact CD2-CD1 3.8Å; I202-L206 HydrophobicContact CG2-CD1 3.57Å; I202-L206 HydrophobicContact CG2-CG 4.03Å; I202-L206 WeakPolarHBondContact O-CG 3.48Å; I202-L206 PolarHBondContact O-N 3.17Å; R203-L206 PolarHBondContact O-N 2.89Å
207V81.4Confident80Confident24 Ų2470 Ų7015%0.14533%0.333CS..  trans-141.5108.4-173.7-166.70000110.3A188 R203 N209 A210 W212A188-V207 HydrophobicContact CB-CG2 3.97Å; R203-V207 CarbonylContact O-C 3.55Å; R203-V207 PolarHBondContact O-N 3.41Å; V207-N209 PolarHBondContact O-N 3.44Å; V207-A210 HydrophobicContact CB-CB 4.13Å; V207-A210 HydrophobicContact CG1-CB 3.56Å; V207-W212 HydrophobicContact CB-CZ2 4.39Å
208K69Low79.2Confident148 Ų14870.5 Ų70.564%0.64334%0.342SS*.THydrogen-bonded Turntrans-66.3-33.9-175.3-81.2-174.5178.2169.80113.8R179R179-K208 VanDerWaalsContact CZ-CE 3.44Å; R179-K208 VanDerWaalsContact NH1-CE 3.32Å
209N67.2Low78.2Confident159 Ų15976.4 Ų76.485%0.8537%0.373SS*.THydrogen-bonded Turntrans-132.448-167.2-62.4-7.9000112.8V207V207-N209 PolarHBondContact O-N 3.44Å
210A73Confident77.1Confident25 Ų2578.7 Ų78.721%0.20738%0.383CS..  trans-104.9146.1175.700000112.4C44 V207 W212C44-A210 HydrophobicContact CB-CB 4Å; V207-A210 HydrophobicContact CB-CB 4.13Å; V207-A210 HydrophobicContact CG1-CB 3.56Å; A210-W212 PolarHBondContact O-N 2.85Å; A210-W212 VanDerWaalsContact O-N 3.12Å
211D82.5Confident75.8Confident152 Ų15276.9 Ų76.981%0.81339%0.388SS*.  trans-73.298.8167.8-66.3-26.6000109.1
212W84.9Confident74.6Confident59 Ų5981.4 Ų81.422%0.22341%0.405CS..EExtended strand (participates in β ladder)trans-82.1119.4179.4-69.294.3000110.9C44 I46 A188 L190 R203 V207 A210C44-W212 HydrophobicContact CB-CD2 4.08Å; C44-W212 HydrophobicContact CB-CE3 3.76Å; C44-W212 HydrophobicContact CB-CZ3 4.05Å; C44-W212 WeakPolarHBondContact O-CA 3.34Å; I46-W212 HydrophobicContact CD1-CB 4.07Å; I46-W212 HydrophobicContact CD1-CD2 3.84Å; I46-W212 HydrophobicContact CD1-CE3 3.48Å; I46-W212 VanDerWaalsContact CD1-CE3 3.48Å; I46-W212 HydrophobicContact CD1-CG 4.13Å; I46-W212 HydrophobicContact CD1-CZ3 4.11Å; I46-W212 HydrophobicContact CG1-CB 4.48Å; I46-W212 HydrophobicContact CG1-CD2 4.15Å; I46-W212 HydrophobicContact CG1-CE3 3.31Å; I46-W212 HydrophobicContact CG1-CZ3 3.82Å; A188-W212 HydrophobicContact CB-CH2 3.59Å; A188-W212 HydrophobicContact CB-CZ2 4.42Å; A188-W212 HydrophobicContact CB-CZ3 4.09Å; L190-W212 HydrophobicContact CD1-CH2 3.77Å; L190-W212 HydrophobicContact CD1-CZ3 3.78Å; L190-W212 HydrophobicContact CG-CH2 4.03Å; L190-W212 HydrophobicContact CG-CZ3 3.86Å; R203-W212 HydrophobicContact CB-CH2 4.44Å; R203-W212 HydrophobicContact CB-CZ2 3.74Å; R203-W212 HydrophobicContact CG-CD2 3.99Å; R203-W212 HydrophobicContact CG-CE3 4.36Å; R203-W212 HydrophobicContact CG-CH2 3.94Å; R203-W212 HydrophobicContact CG-CZ2 3.61Å; R203-W212 HydrophobicContact CG-CZ3 4.32Å; V207-W212 HydrophobicContact CB-CZ2 4.39Å; A210-W212 PolarHBondContact O-N 2.85Å; A210-W212 VanDerWaalsContact O-N 3.12Å
213V88Confident73.5Confident43 Ų4382 Ų8226%0.26141%0.408SS..EExtended strand (participates in β ladder)trans-91.8120.7171.6-176.30000109.1L38 K43 C44 L45 I46 V215L38-V213 HydrophobicContact CD1-CG1 4.07Å; K43-V213 HydrophobicContact CB-CG2 4.28Å; K43-V213 HydrophobicContact CD-CG2 3.88Å; C44-V213 PolarHBondContact O-N 2.84Å; L45-V213 HydrophobicContact CD2-CB 3.86Å; L45-V213 HydrophobicContact CD2-CG2 4.4Å; I46-V213 PolarHBondContact N-O 3.29Å; V213-V215 HydrophobicContact CG1-CG2 4.34Å
214R86.7Confident72.3Confident140 Ų14080.4 Ų80.453%0.52841%0.405SS..EExtended strand (participates in β ladder)trans-88.4121.8174.5-177.8175.2178.1-165.4-13.7109E216R214-E216 HydrophobicContact CG-CG 3.9Å; R214-E216 VanDerWaalsContact CZ-CD 3.44Å; R214-E216 IonicContact CZ-OE1 3.14Å; R214-E216 IonicContact CZ-OE2 2.74Å; R214-E216 VanDerWaalsContact CZ-OE2 3.29Å; R214-E216 IonicContact NE-OE1 3.6Å; R214-E216 PolarHBondContact NE-OE1 2.94Å; R214-E216 IonicContact NE-OE2 3.04Å; R214-E216 PolarHBondContact NE-OE2 3.4Å; R214-E216 IonicContact NH2-OE1 2.99Å; R214-E216 PolarHBondContact NH2-OE1 3.35Å; R214-E216 IonicContact NH2-OE2 3.83Å; R214-E216 PolarHBondContact NH2-OE2 3.32Å
215V84.9Confident71.2Confident14 Ų1474.4 Ų74.49%0.08540%0.396CS..EExtended strand (participates in β ladder)trans-112.4113.4176.7-176.80000107.9I31 A34 V35 L38 I46 V47 H48 V213I31-V215 HydrophobicContact CD1-CG1 4.12Å; A34-V215 HydrophobicContact CB-CG1 3.81Å; V35-V215 HydrophobicContact CG2-CG1 4.33Å; L38-V215 HydrophobicContact CD1-CG2 3.47Å; L38-V215 VanDerWaalsContact CD1-CG2 3.47Å; I46-V215 PolarHBondContact O-N 3.34Å; V47-V215 HydrophobicContact CG2-CB 4.45Å; H48-V215 PolarHBondContact N-O 3.28Å; V213-V215 HydrophobicContact CG1-CG2 4.34Å
216E79.5Confident70.4Confident82 Ų8276.8 Ų76.838%0.38341%0.413SS..EExtended strand (participates in β ladder)trans-128.9136.8175.1-54.6-166146.400108.9H48 R214H48-E216 HydrophobicContact CB-CG 4.14Å; R214-E216 HydrophobicContact CG-CG 3.9Å; R214-E216 VanDerWaalsContact CZ-CD 3.44Å; R214-E216 IonicContact CZ-OE1 3.14Å; R214-E216 IonicContact CZ-OE2 2.74Å; R214-E216 VanDerWaalsContact CZ-OE2 3.29Å; R214-E216 IonicContact NE-OE1 3.6Å; R214-E216 PolarHBondContact NE-OE1 2.94Å; R214-E216 IonicContact NE-OE2 3.04Å; R214-E216 PolarHBondContact NE-OE2 3.4Å; R214-E216 IonicContact NH2-OE1 2.99Å; R214-E216 PolarHBondContact NH2-OE1 3.35Å; R214-E216 IonicContact NH2-OE2 3.83Å; R214-E216 PolarHBondContact NH2-OE2 3.32Å
217L71.9Confident69.6Low39 Ų3980.9 Ų80.920%0.20444%0.442CS..  trans-82.9131.3173.1-69.5169.1000108.7D30 I31 D219 E220D30-L217 HydrophobicContact CB-CD1 4.18Å; D30-L217 HydrophobicContact CB-CD2 3.68Å; I31-L217 HydrophobicContact CB-CD1 4.19Å; I31-L217 HydrophobicContact CD1-CD1 4.1Å; I31-L217 HydrophobicContact CD1-CG 4.2Å; L217-D219 PolarHBondContact O-N 3.25Å; L217-D219 VanDerWaalsContact O-N 3.12Å; L217-E220 HydrophobicContact CB-CG 4.15Å
218P57.2Low69.5Low122 Ų12282.4 Ų82.479%0.79245%0.448SS*.THydrogen-bonded Turntrans-60.1-22.9-171.5-25.133.1000116.2
219D53Low70.2Confident153 Ų15375.5 Ų75.582%0.81842%0.418SS*.THydrogen-bonded Turntrans-114.57.4-164.3-63.9-39.6000115.1L217 A221L217-D219 PolarHBondContact O-N 3.25Å; L217-D219 VanDerWaalsContact O-N 3.12Å; D219-A221 PolarHBondContact O-N 3.34Å; D219-A221 VanDerWaalsContact O-N 3.17Å
220E52.9Low71.1Confident55 Ų5569.4 Ų69.426%0.25739%0.386SS..  trans-89.983.7-176.4-61.1-146.9141.400112K50 L217K50-E220 WeakPolarHBondContact CD-OE1 3.4Å; K50-E220 WeakPolarHBondContact CE-OE1 3.46Å; K50-E220 WeakPolarHBondContact CG-OE2 3.36Å; K50-E220 PolarHBondContact N-OE2 2.84Å; K50-E220 IonicContact NZ-OE1 3.13Å; K50-E220 PolarHBondContact NZ-OE1 2.96Å; L217-E220 HydrophobicContact CB-CG 4.15Å
221A54.5Low71.8Confident71 Ų7168.5 Ų68.559%0.58738%0.378SS*.  trans-53145.9152.400000109D219 L223D219-A221 PolarHBondContact O-N 3.34Å; D219-A221 VanDerWaalsContact O-N 3.17Å; A221-L223 CarbonylContact C-O 3.54Å; A221-L223 CarbonylContact O-C 3.6Å; A221-L223 PolarHBondContact O-N 2.69Å; A221-L223 VanDerWaalsContact O-O 3.11Å
222F58.3Low72.1Confident130 Ų13062 Ų6257%0.5734%0.342SS*.SBendtrans-51-25.2-177.4-69.6-82000114V368F222-V368 HydrophobicContact CB-CG1 3.98Å
223L62.1Low72.3Confident15 Ų1560 Ų608%0.07934%0.335CS..SBendtrans-115.6145.2171.9-67.6178.6000110.2A221 L229 V368 V371 L402A221-L223 CarbonylContact C-O 3.54Å; A221-L223 CarbonylContact O-C 3.6Å; A221-L223 PolarHBondContact O-N 2.69Å; A221-L223 VanDerWaalsContact O-O 3.11Å; L223-L229 HydrophobicContact CB-CD2 4.13Å; L223-L229 HydrophobicContact CD1-CD2 4.12Å; L223-L229 HydrophobicContact CD2-CD2 4.11Å; L223-L229 HydrophobicContact CG-CD2 4.37Å; L223-V368 HydrophobicContact CD2-CG1 3.96Å; L223-V368 HydrophobicContact CG-CG1 4.3Å; L223-V371 HydrophobicContact CD2-CB 4.3Å; L223-V371 HydrophobicContact CD2-CG1 4.06Å; L223-L402 HydrophobicContact CD1-CD1 3.92Å; L223-L402 HydrophobicContact CD1-CD2 3.46Å; L223-L402 VanDerWaalsContact CD1-CD2 3.46Å; L223-L402 HydrophobicContact CD1-CG 4.36Å; L223-L402 HydrophobicContact CG-CD2 4.06Å
224P60.3Low72.4Confident20 Ų2058.2 Ų58.213%0.1332%0.324CS..  trans-56.1143.7169.123.9-31.1000109.7Q228 L229 A375P224-Q228 HydrophobicContact CB-CB 4.1Å; P224-Q228 VanDerWaalsContact CB-OE1 3.29Å; P224-L229 HydrophobicContact CG-CB 3.95Å; P224-L229 HydrophobicContact CG-CD2 4.28Å; P224-A375 HydrophobicContact CB-CB 4.32Å; P224-A375 HydrophobicContact CG-CB 3.56Å
225G61.4Low72.4Confident45 Ų4556 Ų5646%0.46433%0.33SS..  trans-55.1160.4-172.800000113.7S227 Q228 L229G225-S227 PolarHBondContact O-N 3.04Å; G225-Q228 PolarHBondContact O-N 3.33Å; G225-L229 PolarHBondContact O-N 3.43Å
226D66Low72.5Confident103 Ų10355.8 Ų55.855%0.55133%0.33SS*.THydrogen-bonded Turntrans-53.7-19.5-174.9-66.1-21.1000114.7
227S66.8Low72.8Confident99 Ų9956.9 Ų56.969%0.69234%0.335SS*.THydrogen-bonded Turntrans-73.1-34.7175.462.80000113.3G225G225-S227 PolarHBondContact O-N 3.04Å
228Q79.2Confident73.5Confident56 Ų5658.5 Ų58.526%0.26234%0.344SS..THydrogen-bonded Turntrans-91.6-37.7-178.2-69.2-171.4-20.900111.7P224 G225 A375 A377 M380 G381P224-Q228 HydrophobicContact CB-CB 4.1Å; P224-Q228 VanDerWaalsContact CB-OE1 3.29Å; G225-Q228 PolarHBondContact O-N 3.33Å; Q228-A375 HydrophobicContact CB-CB 4.43Å; Q228-A377 PolarHBondContact NE2-O 3.44Å; Q228-A377 VanDerWaalsContact NE2-O 3.16Å; Q228-M380 CarbonylContact O-C 3.57Å; Q228-M380 VanDerWaalsContact O-CA 3.3Å; Q228-M380 WeakPolarHBondContact O-CA 3.28Å; Q228-G381 PolarHBondContact O-N 2.91Å
229L83.3Confident74.8Confident3 Ų357.9 Ų57.92%0.01633%0.334CS..EExtended strand (participates in β ladder)trans-116.1119.6-176.8174.969000111.2L223 P224 G225 Q231 V371 T374 A375 A383L223-L229 HydrophobicContact CB-CD2 4.13Å; L223-L229 HydrophobicContact CD1-CD2 4.12Å; L223-L229 HydrophobicContact CD2-CD2 4.11Å; L223-L229 HydrophobicContact CG-CD2 4.37Å; P224-L229 HydrophobicContact CG-CB 3.95Å; P224-L229 HydrophobicContact CG-CD2 4.28Å; G225-L229 PolarHBondContact O-N 3.43Å; L229-Q231 HydrophobicContact CD1-CG 4.48Å; L229-Q231 HydrophobicContact CD2-CG 3.99Å; L229-Q231 HydrophobicContact CG-CG 3.86Å; L229-V371 HydrophobicContact CD1-CG1 3.76Å; L229-V371 HydrophobicContact CD2-CG1 3.38Å; L229-V371 HydrophobicContact CG-CG1 4.12Å; L229-T374 HydrophobicContact CD1-CG2 3.75Å; L229-A375 HydrophobicContact CB-CB 3.96Å; L229-A375 HydrophobicContact CD1-CB 4.27Å; L229-A383 HydrophobicContact CD1-CB 4.2Å
230T85.8Confident76.4Confident31 Ų3151.5 Ų51.519%0.1930%0.3CS..EExtended strand (participates in β ladder)trans-103.6122.917353.50000110.5G381 T382 A383T230-G381 PolarHBondContact N-O 3.25Å; T230-G381 PolarHBondContact OG1-O 3.4Å; T230-T382 CarbonylContact O-C 3.55Å; T230-T382 WeakPolarHBondContact O-CA 3.34Å; T230-T382 WeakPolarHBondContact OG1-CG2 3.34Å; T230-A383 PolarHBondContact O-N 3.45Å
231Q88.4Confident78.2Confident6 Ų649 Ų493%0.02829%0.288CS..EExtended strand (participates in β ladder)trans-110123.1-175.7-54.1-176.158.900110.2L229 Y367 A383 I426 F427 R428L229-Q231 HydrophobicContact CD1-CG 4.48Å; L229-Q231 HydrophobicContact CD2-CG 3.99Å; L229-Q231 HydrophobicContact CG-CG 3.86Å; Q231-Y367 PolarHBondContact OE1-OH 3.07Å; Q231-A383 CarbonylContact C-O 3.5Å; Q231-A383 WeakPolarHBondContact CA-O 3.48Å; Q231-A383 HydrophobicContact CG-CB 4.35Å; Q231-I426 VanDerWaalsContact NE2-CG2 3.33Å; Q231-F427 HydrophobicContact CB-CD1 4Å; Q231-F427 HydrophobicContact CB-CE1 4.31Å; Q231-R428 PolarHBondContact O-N 3.18Å
232Y88.9Confident79.9Confident17 Ų1745.8 Ų45.87%0.06726%0.261CS..EExtended strand (participates in β ladder)trans-117138.5-179.3-66.8-77.4000110.8A383 L384 S385 R428 Y430 L569Y232-A383 PolarHBondContact N-O 3.31Å; Y232-L384 WeakPolarHBondContact O-CA 3.28Å; Y232-S385 PolarHBondContact O-N 3.11Å; Y232-R428 WeakPolarHBondContact CA-O 3.23Å; Y232-R428 HydrophobicContact CD1-CB 3.86Å; Y232-R428 HydrophobicContact CE1-CB 3.95Å; Y232-Y430 HydrophobicContact CD1-CD2 4.16Å; Y232-Y430 HydrophobicContact CE1-CD2 4.47Å; Y232-L569 HydrophobicContact CD2-CD1 4.5Å; Y232-L569 HydrophobicContact CE2-CD1 3.73Å
233I89.6Confident81.4Confident16 Ų1639.7 Ų39.78%0.08224%0.235CC..EExtended strand (participates in β ladder)trans-116.2134.8174.7-64.1-174.1000109.7S385 V387 L395 F427 R428 Y430I233-S385 WeakPolarHBondContact CA-O 3.43Å; I233-V387 HydrophobicContact CG2-CB 4.35Å; I233-V387 HydrophobicContact CG2-CG2 3.8Å; I233-L395 HydrophobicContact CD1-CD1 3.25Å; I233-L395 HydrophobicContact CD1-CD2 3.68Å; I233-L395 HydrophobicContact CD1-CG 4.07Å; I233-L395 HydrophobicContact CG2-CD2 4.34Å; I233-F427 HydrophobicContact CD1-CB 3.44Å; I233-F427 VanDerWaalsContact CD1-CB 3.44Å; I233-F427 HydrophobicContact CD1-CD1 3.51Å; I233-F427 HydrophobicContact CD1-CD2 3.69Å; I233-F427 HydrophobicContact CD1-CE1 4.16Å; I233-F427 HydrophobicContact CD1-CE2 4.29Å; I233-F427 HydrophobicContact CD1-CG 3.24Å; I233-F427 HydrophobicContact CD1-CZ 4.49Å; I233-F427 HydrophobicContact CG1-CB 3.88Å; I233-F427 HydrophobicContact CG1-CD1 3.84Å; I233-F427 HydrophobicContact CG1-CG 3.93Å; I233-R428 PolarHBondContact N-O 2.81Å; I233-Y430 PolarHBondContact O-N 2.87Å
234I88.9Confident82.7Confident5 Ų539.1 Ų39.13%0.02623%0.231CC..EExtended strand (participates in β ladder)trans-122.8117.4171.7-62179000108.4A236 I244 L384 S385 F386 V387 Y430I234-A236 HydrophobicContact CG2-CB 4.09Å; I234-A236 PolarHBondContact O-N 2.94Å; I234-I244 HydrophobicContact CD1-CG2 3.91Å; I234-I244 HydrophobicContact CG2-CD1 3.84Å; I234-L384 HydrophobicContact CD1-CD1 3.66Å; I234-L384 HydrophobicContact CD1-CD2 4.1Å; I234-L384 HydrophobicContact CD1-CG 4.24Å; I234-L384 HydrophobicContact CG1-CD1 3.86Å; I234-S385 PolarHBondContact N-O 3.19Å; I234-F386 HydrophobicContact CB-CD1 3.93Å; I234-F386 HydrophobicContact CB-CE1 4.15Å; I234-F386 HydrophobicContact CD1-CE1 3.96Å; I234-F386 HydrophobicContact CG2-CD1 3.98Å; I234-F386 HydrophobicContact CG2-CE1 4.03Å; I234-F386 WeakPolarHBondContact O-CA 3.1Å; I234-V387 PolarHBondContact O-N 3.22Å; I234-Y430 HydrophobicContact CD1-CD1 3.62Å; I234-Y430 HydrophobicContact CD1-CE1 4.34Å; I234-Y430 HydrophobicContact CD1-CG 4.45Å; I234-Y430 HydrophobicContact CG1-CD1 3.87Å; I234-Y430 HydrophobicContact CG1-CG 4.33Å
235S87.9Confident84.1Confident94 Ų9438.1 Ų38.166%0.65723%0.225SC*.EExtended strand (participates in β ladder)trans-75.5111.4168.3-540000109.2V387S235-V387 CarbonylContact C-O 3.49Å; S235-V387 VanDerWaalsContact CA-O 3.28Å; S235-V387 WeakPolarHBondContact CA-O 3.47Å
236A85.7Confident85.4Confident9 Ų936 Ų367%0.07420%0.203CC..  trans-149138.7-178.500000112I234 D240 K241 I244 F386 V387I234-A236 HydrophobicContact CG2-CB 4.09Å; I234-A236 PolarHBondContact O-N 2.94Å; A236-D240 HydrophobicContact CB-CB 4.44Å; A236-K241 HydrophobicContact CB-CG 3.88Å; A236-K241 WeakPolarHBondContact O-CE 2.97Å; A236-I244 HydrophobicContact CB-CD1 3.74Å; A236-F386 HydrophobicContact CB-CD1 4.09Å; A236-V387 PolarHBondContact N-O 3.46Å
237E87.5Confident86.4Confident105 Ų10531.1 Ų31.149%0.49118%0.177SC..  trans-76.9162.5169.4-64.6-173.1-178.900110.8N239 D240 K241 K389E237-N239 VanDerWaalsContact C-N 3.33Å; E237-N239 PolarHBondContact O-N 3.16Å; E237-N239 VanDerWaalsContact O-N 3.16Å; E237-D240 PolarHBondContact O-N 3.23Å; E237-K241 WeakPolarHBondContact O-CG 3.08Å; E237-K241 PolarHBondContact O-N 3.28Å; E237-K389 IonicContact OE1-NZ 3.48Å; E237-K389 PolarHBondContact OE1-NZ 3.42Å
238D84.9Confident87.4Confident73 Ų7326.6 Ų26.639%0.3915%0.145SC..Hα-helixtrans-54-41.8-168.4-93.4-0.7000114.6K241 Y242 R267D238-K241 IonicContact OD1-NZ 2.7Å; D238-Y242 WeakPolarHBondContact O-CD2 3.33Å; D238-R267 IonicContact OD1-CZ 3.69Å; D238-R267 IonicContact OD1-NH1 2.53Å; D238-R267 IonicContact OD1-NH2 2.69Å; D238-R267 PolarHBondContact OD1-NH2 3.1Å; D238-R267 IonicContact OD2-CZ 3.78Å; D238-R267 IonicContact OD2-NH1 2.69Å; D238-R267 PolarHBondContact OD2-NH1 2.87Å; D238-R267 IonicContact OD2-NH2 2.59Å
239N85.2Confident87.8Confident110 Ų11024.2 Ų24.259%0.58813%0.134SC*.Hα-helixtrans-68.8-37.5178.8-68.7-34.3000112.2E237 Y242E237-N239 VanDerWaalsContact C-N 3.33Å; E237-N239 PolarHBondContact O-N 3.16Å; E237-N239 VanDerWaalsContact O-N 3.16Å; N239-Y242 PolarHBondContact O-N 3.27Å
240D86.7Confident87.9Confident19 Ų1926 Ų2610%0.10214%0.142CC..Hα-helixtrans-75.1-31.3-177.9-61.6-29000110.7A236 E237 Y242 A243 I244 L434 R441A236-D240 HydrophobicContact CB-CB 4.44Å; E237-D240 PolarHBondContact O-N 3.23Å; D240-Y242 VanDerWaalsContact C-N 3.26Å; D240-Y242 PolarHBondContact O-N 3.48Å; D240-A243 PolarHBondContact O-N 2.89Å; D240-A243 VanDerWaalsContact O-N 3.11Å; D240-I244 WeakPolarHBondContact O-CG1 3.25Å; D240-I244 PolarHBondContact O-N 3.01Å; D240-L434 HydrophobicContact CB-CD1 4.43Å; D240-R441 IonicContact OD1-CZ 2.64Å; D240-R441 IonicContact OD1-NE 3.99Å; D240-R441 PolarHBondContact OD1-NE 3.24Å; D240-R441 IonicContact OD1-NH2 2.69Å; D240-R441 PolarHBondContact OD1-NH2 2.81Å
241K90.5Very high87.7Confident1 Ų124.7 Ų24.70%0.00413%0.133CC..Hα-helixtrans-51.6-44.9172.3-68.1-179.1-175.7-172.50111.7A236 E237 D238 L245 F358 F386 E391A236-K241 HydrophobicContact CB-CG 3.88Å; A236-K241 WeakPolarHBondContact O-CE 2.97Å; E237-K241 WeakPolarHBondContact O-CG 3.08Å; E237-K241 PolarHBondContact O-N 3.28Å; D238-K241 IonicContact OD1-NZ 2.7Å; K241-L245 VanDerWaalsContact O-CB 3.32Å; K241-L245 WeakPolarHBondContact O-CB 3.34Å; K241-L245 PolarHBondContact O-N 3.44Å; K241-F358 HydrophobicContact CB-CD2 4.5Å; K241-F358 HydrophobicContact CB-CE2 3.72Å; K241-F358 HydrophobicContact CB-CZ 3.89Å; K241-F358 PolarHBondContact NZ-O 3.48Å; K241-F386 HydrophobicContact CB-CD1 4.4Å; K241-F386 HydrophobicContact CB-CG 4.49Å; K241-F386 HydrophobicContact CD-CB 3.88Å; K241-F386 HydrophobicContact CD-CG 4.33Å; K241-F386 HydrophobicContact CG-CB 3.99Å; K241-F386 HydrophobicContact CG-CD1 3.96Å; K241-F386 HydrophobicContact CG-CG 3.99Å; K241-E391 IonicContact NZ-OE2 2.9Å; K241-E391 PolarHBondContact NZ-OE2 3.12Å
242Y91.2Very high87.3Confident4 Ų430.6 Ų30.62%0.01616%0.155CC..Hα-helixtrans-64.4-44.2178.1-73.4-77.3000112.8D238 N239 D240 L245 I246 L271 F274 F358 M448D238-Y242 WeakPolarHBondContact O-CD2 3.33Å; N239-Y242 PolarHBondContact O-N 3.27Å; D240-Y242 VanDerWaalsContact C-N 3.26Å; D240-Y242 PolarHBondContact O-N 3.48Å; Y242-L245 PolarHBondContact O-N 2.94Å; Y242-I246 WeakPolarHBondContact O-CG1 3.49Å; Y242-I246 PolarHBondContact O-N 2.9Å; Y242-I246 VanDerWaalsContact O-N 3.12Å; Y242-L271 HydrophobicContact CD1-CD1 4.1Å; Y242-L271 HydrophobicContact CE1-CD1 3.87Å; Y242-F274 AromaticContact CD1-CD1 3.68Å; Y242-F274 HydrophobicContact CD1-CD1 3.68Å; Y242-F274 HydrophobicContact CD1-CD2 4.31Å; Y242-F274 AromaticContact CD1-CE1 3.65Å; Y242-F274 HydrophobicContact CD1-CE1 3.65Å; Y242-F274 HydrophobicContact CD1-CE2 4.33Å; Y242-F274 AromaticContact CD1-CG 3.97Å; Y242-F274 HydrophobicContact CD1-CG 3.97Å; Y242-F274 AromaticContact CD1-CZ 3.97Å; Y242-F274 HydrophobicContact CD1-CZ 3.97Å; Y242-F274 HydrophobicContact CE1-CD1 4.39Å; Y242-F274 HydrophobicContact CE1-CG 4.42Å; Y242-F274 HydrophobicContact CG-CE1 4.18Å; Y242-F274 HydrophobicContact CG-CZ 4.14Å; Y242-F358 HydrophobicContact CD1-CE2 4.39Å; Y242-F358 AromaticContact CD1-CZ 3.91Å; Y242-F358 HydrophobicContact CD1-CZ 3.91Å; Y242-F358 HydrophobicContact CD2-CZ 4.06Å; Y242-F358 HydrophobicContact CE1-CE1 4.27Å; Y242-F358 HydrophobicContact CE1-CE2 4.49Å; Y242-F358 AromaticContact CE1-CZ 3.68Å; Y242-F358 HydrophobicContact CE1-CZ 3.68Å; Y242-F358 HydrophobicContact CE2-CE1 4.33Å; Y242-F358 AromaticContact CE2-CZ 3.81Å; Y242-F358 HydrophobicContact CE2-CZ 3.81Å; Y242-F358 HydrophobicContact CG-CZ 4.1Å; Y242-F358 AromaticContact CZ-CE1 3.96Å; Y242-F358 AromaticContact CZ-CZ 3.63Å; Y242-M448 HydrophobicContact CD1-SD 3.96Å; Y242-M448 HydrophobicContact CD2-CE 3.46Å; Y242-M448 VanDerWaalsContact CD2-CE 3.46Å; Y242-M448 HydrophobicContact CD2-CG 4.48Å; Y242-M448 HydrophobicContact CD2-SD 3.85Å; Y242-M448 HydrophobicContact CE1-CE 4.3Å; Y242-M448 HydrophobicContact CE1-SD 3.9Å; Y242-M448 HydrophobicContact CE2-CE 3.16Å; Y242-M448 HydrophobicContact CE2-SD 3.83Å; Y242-M448 HydrophobicContact CG-CE 4.17Å; Y242-M448 HydrophobicContact CG-CG 4.47Å; Y242-M448 HydrophobicContact CG-SD 3.94Å
243A89.1Confident87Confident2 Ų230.5 Ų30.52%0.01716%0.156CC..Hα-helixtrans-63.8-44.8178.900000111.6D240 L245 I246 A247 R441 A444D240-A243 PolarHBondContact O-N 2.89Å; D240-A243 VanDerWaalsContact O-N 3.11Å; A243-L245 VanDerWaalsContact C-N 3.35Å; A243-L245 PolarHBondContact O-N 3.14Å; A243-I246 PolarHBondContact O-N 3.43Å; A243-A247 WeakPolarHBondContact O-CB 3.33Å; A243-A247 PolarHBondContact O-N 3.3Å; A243-R441 HydrophobicContact CB-CB 4.37Å; A243-A444 HydrophobicContact CB-CB 3.98Å
244I88.6Confident86.6Confident3 Ų330.6 Ų30.62%0.01516%0.157CC..Hα-helixtrans-63.1-44178-62.1167.6000110I234 A236 D240 I246 A247 L248 F386 F432 L434I234-I244 HydrophobicContact CD1-CG2 3.91Å; I234-I244 HydrophobicContact CG2-CD1 3.84Å; A236-I244 HydrophobicContact CB-CD1 3.74Å; D240-I244 WeakPolarHBondContact O-CG1 3.25Å; D240-I244 PolarHBondContact O-N 3.01Å; I244-I246 PolarHBondContact O-N 3.27Å; I244-A247 WeakPolarHBondContact O-CB 3.35Å; I244-A247 PolarHBondContact O-N 2.97Å; I244-L248 HydrophobicContact CG2-CD1 3.91Å; I244-L248 HydrophobicContact CG2-CG 4.22Å; I244-L248 WeakPolarHBondContact O-CB 3.26Å; I244-L248 VanDerWaalsContact O-CG 3.25Å; I244-L248 WeakPolarHBondContact O-CG 3.5Å; I244-L248 PolarHBondContact O-N 3.5Å; I244-F386 HydrophobicContact CB-CE1 3.92Å; I244-F386 HydrophobicContact CB-CZ 4.19Å; I244-F386 HydrophobicContact CD1-CE1 4.16Å; I244-F386 HydrophobicContact CG2-CE1 3.69Å; I244-F386 HydrophobicContact CG2-CZ 3.89Å; I244-F432 HydrophobicContact CB-CE1 4.3Å; I244-F432 HydrophobicContact CD1-CD1 4.19Å; I244-F432 HydrophobicContact CG1-CD1 3.77Å; I244-F432 HydrophobicContact CG1-CE1 3.65Å; I244-F432 HydrophobicContact CG1-CZ 4.33Å; I244-F432 HydrophobicContact CG2-CD1 4.35Å; I244-F432 HydrophobicContact CG2-CE1 4.22Å; I244-F432 HydrophobicContact CG2-CE2 4.34Å; I244-F432 HydrophobicContact CG2-CG 4.44Å; I244-F432 HydrophobicContact CG2-CZ 4.15Å; I244-L434 HydrophobicContact CD1-CD1 3.97Å; I244-L434 HydrophobicContact CG1-CD1 3.99Å
245L90.5Very high86.2Confident0 Ų035 Ų350%017%0.173CC..Hα-helixtrans-60.1-45.2179.3-171.571.3000112.4K241 Y242 A243 A247 L248 F249 L271 L275 I356 F358 F386K241-L245 VanDerWaalsContact O-CB 3.32Å; K241-L245 WeakPolarHBondContact O-CB 3.34Å; K241-L245 PolarHBondContact O-N 3.44Å; Y242-L245 PolarHBondContact O-N 2.94Å; A243-L245 VanDerWaalsContact C-N 3.35Å; A243-L245 PolarHBondContact O-N 3.14Å; L245-A247 VanDerWaalsContact C-N 3.35Å; L245-L248 PolarHBondContact O-N 3.01Å; L245-F249 HydrophobicContact CD1-CD2 4.31Å; L245-F249 HydrophobicContact CD1-CE1 4.45Å; L245-F249 HydrophobicContact CD1-CE2 3.54Å; L245-F249 HydrophobicContact CD1-CZ 3.61Å; L245-F249 HydrophobicContact CD2-CE2 4.04Å; L245-F249 HydrophobicContact CG-CD2 4.02Å; L245-F249 HydrophobicContact CG-CE2 3.55Å; L245-F249 HydrophobicContact CG-CZ 4.17Å; L245-F249 WeakPolarHBondContact O-CD2 3.41Å; L245-F249 PolarHBondContact O-N 3.24Å; L245-F249 VanDerWaalsContact O-N 3.13Å; L245-L271 HydrophobicContact CD2-CD1 3.57Å; L245-L271 HydrophobicContact CD2-CD2 4.43Å; L245-L275 HydrophobicContact CD2-CD2 4.23Å; L245-I356 HydrophobicContact CD1-CD1 3.92Å; L245-I356 HydrophobicContact CD1-CG2 4.21Å; L245-F358 HydrophobicContact CD2-CD2 4.21Å; L245-F358 HydrophobicContact CD2-CE2 4.24Å; L245-F386 HydrophobicContact CD1-CE2 4.47Å
246I89.1Confident86.1Confident1 Ų132.3 Ų32.31%0.00516%0.16CC..Hα-helixtrans-62-46.4175.4-65.6157.1000110.5Y242 A243 I244 L248 F249 K250 F274 F278 F440 A444Y242-I246 WeakPolarHBondContact O-CG1 3.49Å; Y242-I246 PolarHBondContact O-N 2.9Å; Y242-I246 VanDerWaalsContact O-N 3.12Å; A243-I246 PolarHBondContact O-N 3.43Å; I244-I246 PolarHBondContact O-N 3.27Å; I246-L248 VanDerWaalsContact C-N 3.28Å; I246-L248 PolarHBondContact O-N 3.45Å; I246-F249 PolarHBondContact O-N 3.36Å; I246-K250 HydrophobicContact CG2-CB 4.38Å; I246-K250 HydrophobicContact CG2-CG 3.63Å; I246-K250 VanDerWaalsContact O-CB 3.31Å; I246-K250 WeakPolarHBondContact O-CB 3.32Å; I246-K250 PolarHBondContact O-N 2.98Å; I246-F274 HydrophobicContact CD1-CE1 3.34Å; I246-F274 HydrophobicContact CD1-CE2 4.16Å; I246-F274 HydrophobicContact CD1-CZ 3.12Å; I246-F274 HydrophobicContact CG1-CE1 3.5Å; I246-F274 HydrophobicContact CG1-CZ 3.87Å; I246-F278 HydrophobicContact CD1-CD1 4.27Å; I246-F278 HydrophobicContact CD1-CD2 3.69Å; I246-F278 HydrophobicContact CD1-CE1 3.85Å; I246-F278 HydrophobicContact CD1-CE2 3.29Å; I246-F278 HydrophobicContact CD1-CG 4.2Å; I246-F278 HydrophobicContact CD1-CZ 3.36Å; I246-F278 HydrophobicContact CG1-CD2 3.92Å; I246-F278 HydrophobicContact CG1-CE2 4.05Å; I246-F278 HydrophobicContact CG1-CG 4.22Å; I246-F278 HydrophobicContact CG1-CZ 4.36Å; I246-F278 HydrophobicContact CG2-CD1 4.03Å; I246-F278 HydrophobicContact CG2-CE1 4.28Å; I246-F278 HydrophobicContact CG2-CG 4.28Å; I246-F440 HydrophobicContact CG2-CD1 3.83Å; I246-F440 HydrophobicContact CG2-CE1 4.11Å; I246-A444 HydrophobicContact CD1-CB 3.98Å
247A86.5Confident86.3Confident0 Ų032.9 Ų32.90%016%0.161CC..Hα-helixtrans-57.6-45.4-179.600000110.5A243 I244 L245 F249 L251 F432 V437 F440A243-A247 WeakPolarHBondContact O-CB 3.33Å; A243-A247 PolarHBondContact O-N 3.3Å; I244-A247 WeakPolarHBondContact O-CB 3.35Å; I244-A247 PolarHBondContact O-N 2.97Å; L245-A247 VanDerWaalsContact C-N 3.35Å; A247-F249 VanDerWaalsContact C-N 3.34Å; A247-F249 PolarHBondContact O-N 3.41Å; A247-L251 HydrophobicContact CB-CD1 4.07Å; A247-L251 WeakPolarHBondContact O-CB 3.4Å; A247-L251 WeakPolarHBondContact O-CD1 3.14Å; A247-L251 WeakPolarHBondContact O-CG 3.35Å; A247-L251 PolarHBondContact O-N 3.32Å; A247-F432 HydrophobicContact CB-CZ 3.93Å; A247-V437 HydrophobicContact CB-CG1 3.58Å; A247-F440 HydrophobicContact CB-CD2 4.49Å
248L87.4Confident86.6Confident3 Ų327.9 Ų27.92%0.01614%0.138CC..Hα-helixtrans-58.5-42177.2-71.2171.4000113I244 L245 I246 R252 I253 V254 L384 F386 Y430I244-L248 HydrophobicContact CG2-CD1 3.91Å; I244-L248 HydrophobicContact CG2-CG 4.22Å; I244-L248 WeakPolarHBondContact O-CB 3.26Å; I244-L248 VanDerWaalsContact O-CG 3.25Å; I244-L248 WeakPolarHBondContact O-CG 3.5Å; I244-L248 PolarHBondContact O-N 3.5Å; L245-L248 PolarHBondContact O-N 3.01Å; I246-L248 VanDerWaalsContact C-N 3.28Å; I246-L248 PolarHBondContact O-N 3.45Å; L248-R252 PolarHBondContact O-N 3.39Å; L248-I253 HydrophobicContact CD2-CB 4.19Å; L248-I253 HydrophobicContact CD2-CD1 4.07Å; L248-I253 HydrophobicContact CD2-CG2 4.06Å; L248-I253 PolarHBondContact O-N 2.72Å; L248-V254 HydrophobicContact CB-CG2 4.08Å; L248-V254 HydrophobicContact CD2-CG2 4.46Å; L248-V254 PolarHBondContact O-N 3.47Å; L248-L384 HydrophobicContact CD1-CD2 3.37Å; L248-F386 HydrophobicContact CD1-CZ 4.47Å; L248-Y430 HydrophobicContact CD2-CE1 4.48Å
249F88.6Confident87Confident6 Ų624.4 Ų24.43%0.02612%0.119CC..Hα-helixtrans-79.5-46.3-179.5-65.9-31.2000113.6L245 I246 A247 L251 R252 V254 T258 I260 L275 I280 Y308 I356L245-F249 HydrophobicContact CD1-CD2 4.31Å; L245-F249 HydrophobicContact CD1-CE1 4.45Å; L245-F249 HydrophobicContact CD1-CE2 3.54Å; L245-F249 HydrophobicContact CD1-CZ 3.61Å; L245-F249 HydrophobicContact CD2-CE2 4.04Å; L245-F249 HydrophobicContact CG-CD2 4.02Å; L245-F249 HydrophobicContact CG-CE2 3.55Å; L245-F249 HydrophobicContact CG-CZ 4.17Å; L245-F249 WeakPolarHBondContact O-CD2 3.41Å; L245-F249 PolarHBondContact O-N 3.24Å; L245-F249 VanDerWaalsContact O-N 3.13Å; I246-F249 PolarHBondContact O-N 3.36Å; A247-F249 VanDerWaalsContact C-N 3.34Å; A247-F249 PolarHBondContact O-N 3.41Å; F249-L251 PolarHBondContact O-N 2.99Å; F249-R252 WeakPolarHBondContact O-CA 3.28Å; F249-R252 PolarHBondContact O-N 3.46Å; F249-V254 HydrophobicContact CD1-CB 4.25Å; F249-V254 HydrophobicContact CE1-CB 4.24Å; F249-V254 HydrophobicContact CE1-CG1 4.21Å; F249-T258 HydrophobicContact CE1-CG2 4.27Å; F249-T258 HydrophobicContact CZ-CG2 4.39Å; F249-I260 HydrophobicContact CE2-CD1 3.82Å; F249-I260 HydrophobicContact CZ-CD1 3.54Å; F249-L275 HydrophobicContact CD2-CD2 3.95Å; F249-L275 HydrophobicContact CE2-CD2 4.04Å; F249-I280 HydrophobicContact CB-CD1 3.63Å; F249-I280 HydrophobicContact CD2-CD1 3.94Å; F249-I280 HydrophobicContact CG-CD1 4.23Å; F249-Y308 HydrophobicContact CD1-CD1 4.41Å; F249-Y308 AromaticContact CD1-CE1 3.59Å; F249-Y308 HydrophobicContact CD1-CE1 3.59Å; F249-Y308 AromaticContact CE1-CD1 3.91Å; F249-Y308 HydrophobicContact CE1-CD1 3.91Å; F249-Y308 AromaticContact CE1-CE1 3.45Å; F249-Y308 HydrophobicContact CE1-CE1 3.45Å; F249-Y308 VanDerWaalsContact CE1-CE1 3.45Å; F249-Y308 HydrophobicContact CE2-CD1 4.38Å; F249-Y308 HydrophobicContact CE2-CE1 4.4Å; F249-Y308 HydrophobicContact CG-CE1 4.17Å; F249-Y308 AromaticContact CZ-CD1 3.9Å; F249-Y308 HydrophobicContact CZ-CD1 3.9Å; F249-Y308 AromaticContact CZ-CE1 3.89Å; F249-Y308 HydrophobicContact CZ-CE1 3.89Å; F249-I356 HydrophobicContact CE1-CD1 3.85Å; F249-I356 HydrophobicContact CZ-CD1 3.76Å
250K84Confident87.4Confident42 Ų4219.2 Ų19.218%0.1839%0.091CC..Hα-helixtrans-66.6-38-179.4-75.3-67-171174.40112.3I246 R252 F278 F440 K503 V505I246-K250 HydrophobicContact CG2-CB 4.38Å; I246-K250 HydrophobicContact CG2-CG 3.63Å; I246-K250 VanDerWaalsContact O-CB 3.31Å; I246-K250 WeakPolarHBondContact O-CB 3.32Å; I246-K250 PolarHBondContact O-N 2.98Å; K250-R252 PolarHBondContact O-N 3.49Å; K250-F278 WeakPolarHBondContact CE-O 3.19Å; K250-F278 PolarHBondContact NZ-O 3.4Å; K250-F440 HydrophobicContact CB-CE1 4.3Å; K250-K503 PolarHBondContact NZ-O 2.99Å; K250-V505 HydrophobicContact CB-CG2 4.08Å; K250-V505 HydrophobicContact CD-CG2 3.71Å; K250-V505 HydrophobicContact CG-CG2 3.9Å
251L82.2Confident87.7Confident3 Ų318.3 Ų18.32%0.0169%0.086CC..THydrogen-bonded Turntrans-80.10175.7-54.8167000112A247 F249 I253 F440 V510 L514 M518A247-L251 HydrophobicContact CB-CD1 4.07Å; A247-L251 WeakPolarHBondContact O-CB 3.4Å; A247-L251 WeakPolarHBondContact O-CD1 3.14Å; A247-L251 WeakPolarHBondContact O-CG 3.35Å; A247-L251 PolarHBondContact O-N 3.32Å; F249-L251 PolarHBondContact O-N 2.99Å; L251-I253 HydrophobicContact CB-CD1 4.1Å; L251-I253 HydrophobicContact CB-CG1 4.04Å; L251-I253 HydrophobicContact CD1-CD1 4.47Å; L251-I253 PolarHBondContact O-N 2.97Å; L251-F440 HydrophobicContact CD2-CZ 4.47Å; L251-V510 HydrophobicContact CD2-CG1 3.95Å; L251-L514 HydrophobicContact CB-CD1 4.26Å; L251-L514 HydrophobicContact CD1-CD1 3.56Å; L251-L514 HydrophobicContact CD2-CB 4.45Å; L251-L514 HydrophobicContact CD2-CD1 4.46Å; L251-L514 HydrophobicContact CG-CD1 4.29Å; L251-M518 HydrophobicContact CD2-SD 4.44Å
252R80.3Confident87.8Confident130 Ų13018.2 Ų18.249%0.4919%0.086SC..THydrogen-bonded Turntrans51.837.9178.3-60.7-178174.8168.6-1.4113L248 F249 K250 R255L248-R252 PolarHBondContact O-N 3.39Å; F249-R252 WeakPolarHBondContact O-CA 3.28Å; F249-R252 PolarHBondContact O-N 3.46Å; K250-R252 PolarHBondContact O-N 3.49Å; R252-R255 WeakPolarHBondContact O-CG 3.38Å; R252-R255 PolarHBondContact O-NE 3.07Å
253I81.8Confident87.7Confident15 Ų1520.6 Ų20.68%0.07710%0.099CC..  trans-70.5-49.7174-63.1171000107.8L248 L251 L514 L569L248-I253 HydrophobicContact CD2-CB 4.19Å; L248-I253 HydrophobicContact CD2-CD1 4.07Å; L248-I253 HydrophobicContact CD2-CG2 4.06Å; L248-I253 PolarHBondContact O-N 2.72Å; L251-I253 HydrophobicContact CB-CD1 4.1Å; L251-I253 HydrophobicContact CB-CG1 4.04Å; L251-I253 HydrophobicContact CD1-CD1 4.47Å; L251-I253 PolarHBondContact O-N 2.97Å; I253-L514 HydrophobicContact CD1-CD1 4.17Å; I253-L569 HydrophobicContact CG2-CD2 3.69Å; I253-L569 HydrophobicContact CG2-CG 4.24Å
254V81.7Confident87.6Confident17 Ų1723 Ų2310%0.10312%0.116CC..SBendtrans-82.5121.4173.1-177.40000108.4L248 F249 T258 N354L248-V254 HydrophobicContact CB-CG2 4.08Å; L248-V254 HydrophobicContact CD2-CG2 4.46Å; L248-V254 PolarHBondContact O-N 3.47Å; F249-V254 HydrophobicContact CD1-CB 4.25Å; F249-V254 HydrophobicContact CE1-CB 4.24Å; F249-V254 HydrophobicContact CE1-CG1 4.21Å; V254-T258 HydrophobicContact CG1-CG2 4.23Å; V254-T258 WeakPolarHBondContact CG1-OG1 3.38Å; V254-N354 HydrophobicContact CG1-CB 3.84Å; V254-N354 WeakPolarHBondContact CG1-ND2 3.46Å
255R80.7Confident87.6Confident98 Ų9823.1 Ų23.137%0.3712%0.117SC..  trans-126.4141.7-178.5-64-175.4179.5174.8-2.6110.9R252 N354R252-R255 WeakPolarHBondContact O-CG 3.38Å; R252-R255 PolarHBondContact O-NE 3.07Å; R255-N354 PolarHBondContact O-ND2 3.49Å
256G85.4Confident87.7Confident37 Ų3726.7 Ų26.738%0.38114%0.136SC..SBendtrans90.2-174.9-179.600000112.8T258G256-T258 PolarHBondContact O-N 3.12Å; G256-T258 PolarHBondContact O-OG1 3.02Å
257K90.3Very high87.7Confident22 Ų2229 Ų2910%0.09615%0.145CC..  trans-61.6126.2-176.9-63.7-171-172.8-1750111F301 N302 D307 Q350 S353 N354K257-F301 HydrophobicContact CB-CE2 4.13Å; K257-F301 HydrophobicContact CB-CZ 3.78Å; K257-F301 HydrophobicContact CD-CE1 4.26Å; K257-F301 HydrophobicContact CD-CE2 4.47Å; K257-F301 HydrophobicContact CD-CZ 4.15Å; K257-F301 VanDerWaalsContact CE-O 3.31Å; K257-F301 WeakPolarHBondContact CE-O 3.46Å; K257-F301 HydrophobicContact CG-CZ 4.41Å; K257-F301 PolarHBondContact NZ-O 2.85Å; K257-N302 VanDerWaalsContact NZ-C 3.35Å; K257-N302 PolarHBondContact NZ-O 3.34Å; K257-D307 CarbonylContact C-O 3.54Å; K257-D307 VanDerWaalsContact CA-O 3.29Å; K257-D307 WeakPolarHBondContact CA-O 3.44Å; K257-Q350 PolarHBondContact NZ-O 3.16Å; K257-Q350 VanDerWaalsContact NZ-O 3.17Å; K257-S353 PolarHBondContact O-N 2.94Å; K257-N354 PolarHBondContact O-N 2.86Å; K257-N354 VanDerWaalsContact O-N 3.1Å
258T93.1Very high88Confident0 Ų029 Ų290%015%0.145CC..EExtended strand (participates in β ladder)trans-126.8123.6-173-57.40000110F249 V254 G256 I260 D307 Y308 L309 N354 I356F249-T258 HydrophobicContact CE1-CG2 4.27Å; F249-T258 HydrophobicContact CZ-CG2 4.39Å; V254-T258 HydrophobicContact CG1-CG2 4.23Å; V254-T258 WeakPolarHBondContact CG1-OG1 3.38Å; G256-T258 PolarHBondContact O-N 3.12Å; G256-T258 PolarHBondContact O-OG1 3.02Å; T258-I260 HydrophobicContact CG2-CG1 4.12Å; T258-D307 PolarHBondContact N-O 3.4Å; T258-Y308 HydrophobicContact CG2-CD1 4.42Å; T258-Y308 WeakPolarHBondContact O-CA 3.28Å; T258-L309 PolarHBondContact O-N 3.45Å; T258-N354 CarbonylContact C-O 3.6Å; T258-N354 VanDerWaalsContact CA-O 3.28Å; T258-N354 WeakPolarHBondContact CA-O 3.36Å; T258-N354 HydrophobicContact CG2-CB 4.1Å; T258-N354 PolarHBondContact OG1-ND2 2.59Å; T258-N354 VanDerWaalsContact OG1-ND2 3.11Å; T258-I356 HydrophobicContact CG2-CD1 3.59Å; T258-I356 HydrophobicContact CG2-CG1 3.8Å
259L93.2Very high88.2Confident0 Ų029 Ų290%014%0.144CC..EExtended strand (participates in β ladder)trans-99126.6174.9-172.761.3000108.7F261 L309 A311 F349 V352 N354 V355 I356 R373L259-F261 HydrophobicContact CD2-CD2 4.45Å; L259-F261 HydrophobicContact CD2-CE1 4.32Å; L259-F261 HydrophobicContact CD2-CE2 3.42Å; L259-F261 VanDerWaalsContact CD2-CE2 3.42Å; L259-F261 HydrophobicContact CD2-CZ 3.34Å; L259-F261 HydrophobicContact CG-CD2 4.3Å; L259-F261 HydrophobicContact CG-CE2 3.71Å; L259-F261 HydrophobicContact CG-CZ 3.88Å; L259-L309 HydrophobicContact CD1-CB 3.85Å; L259-L309 HydrophobicContact CD1-CD2 3.69Å; L259-L309 HydrophobicContact CD1-CG 3.8Å; L259-A311 HydrophobicContact CD1-CB 4.12Å; L259-F349 HydrophobicContact CD1-CZ 4.45Å; L259-F349 HydrophobicContact CD2-CD2 3.81Å; L259-F349 HydrophobicContact CD2-CE2 3.91Å; L259-F349 HydrophobicContact CD2-CG 4.46Å; L259-V352 HydrophobicContact CB-CG1 4.08Å; L259-N354 PolarHBondContact N-O 2.8Å; L259-V355 HydrophobicContact CB-CG2 4.49Å; L259-V355 CarbonylContact O-C 3.3Å; L259-V355 WeakPolarHBondContact O-CA 3.38Å; L259-I356 PolarHBondContact O-N 2.7Å; L259-R373 HydrophobicContact CD2-CB 3.94Å; L259-R373 HydrophobicContact CD2-CG 4.01Å
260I94.3Very high88.4Confident0 Ų031.6 Ų31.60%016%0.156CC..EExtended strand (participates in β ladder)trans-116.6118-178.4-46.4-177.2000108.9F249 T258 L271 L275 L309 L310 A311 I356 F358F249-I260 HydrophobicContact CE2-CD1 3.82Å; F249-I260 HydrophobicContact CZ-CD1 3.54Å; T258-I260 HydrophobicContact CG2-CG1 4.12Å; I260-L271 HydrophobicContact CG2-CD2 3.93Å; I260-L275 HydrophobicContact CD1-CD1 4.49Å; I260-L309 PolarHBondContact N-O 3.28Å; I260-L310 HydrophobicContact CB-CD2 3.65Å; I260-L310 HydrophobicContact CD1-CD2 3.64Å; I260-L310 HydrophobicContact CG1-CD2 4Å; I260-L310 HydrophobicContact CG2-CD2 4.14Å; I260-L310 WeakPolarHBondContact O-CA 3.29Å; I260-A311 PolarHBondContact O-N 3.14Å; I260-I356 CarbonylContact C-O 3.58Å; I260-I356 VanDerWaalsContact CA-O 3.28Å; I260-I356 WeakPolarHBondContact CA-O 3.45Å; I260-I356 HydrophobicContact CG1-CB 4.3Å; I260-I356 HydrophobicContact CG2-CB 4.28Å; I260-I356 HydrophobicContact CG2-CG2 4.31Å; I260-F358 HydrophobicContact CG2-CB 3.9Å
261F94.1Very high88.9Confident0 Ų029.6 Ų29.60%015%0.147CC..EExtended strand (participates in β ladder)trans-96.1134.8179.6-72.7-78.6000111.9L259 A311 V343 V355 I356 F358 D359 R370 R373L259-F261 HydrophobicContact CD2-CD2 4.45Å; L259-F261 HydrophobicContact CD2-CE1 4.32Å; L259-F261 HydrophobicContact CD2-CE2 3.42Å; L259-F261 VanDerWaalsContact CD2-CE2 3.42Å; L259-F261 HydrophobicContact CD2-CZ 3.34Å; L259-F261 HydrophobicContact CG-CD2 4.3Å; L259-F261 HydrophobicContact CG-CE2 3.71Å; L259-F261 HydrophobicContact CG-CZ 3.88Å; F261-A311 WeakPolarHBondContact CA-O 3.29Å; F261-A311 HydrophobicContact CD1-CB 3.81Å; F261-A311 HydrophobicContact CE1-CB 3.84Å; F261-V343 HydrophobicContact CE1-CG1 4.15Å; F261-V355 HydrophobicContact CD2-CG1 3.88Å; F261-V355 HydrophobicContact CE2-CG1 3.89Å; F261-I356 PolarHBondContact N-O 3.5Å; F261-F358 WeakPolarHBondContact O-CB 3.41Å; F261-F358 PolarHBondContact O-N 2.78Å; F261-D359 PolarHBondContact O-N 3.24Å; F261-R370 HydrophobicContact CD1-CG 4.14Å; F261-R370 HydrophobicContact CD2-CB 3.84Å; F261-R370 HydrophobicContact CD2-CG 3.75Å; F261-R370 HydrophobicContact CE1-CG 4.2Å; F261-R370 HydrophobicContact CE2-CB 3.69Å; F261-R370 HydrophobicContact CE2-CG 3.8Å; F261-R370 HydrophobicContact CG-CG 3.91Å; F261-R370 HydrophobicContact CZ-CB 4.26Å; F261-R370 HydrophobicContact CZ-CG 4.03Å; F261-R373 HydrophobicContact CZ-CG 4.19Å
262T92.6Very high89.4Confident0 Ų032.1 Ų32.10%016%0.156CC..EExtended strand (participates in β ladder)trans-126.5153.917259.90000109.5C268 L271 A311 T312 D313 F358 D359T262-C268 VanDerWaalsContact OG1-CB 3.31Å; T262-C268 WeakPolarHBondContact OG1-CB 3.47Å; T262-L271 HydrophobicContact CG2-CD2 4.01Å; T262-A311 PolarHBondContact N-O 2.79Å; T262-A311 PolarHBondContact OG1-O 3.01Å; T262-T312 WeakPolarHBondContact O-CA 3.4Å; T262-D313 PolarHBondContact O-N 2.91Å; T262-F358 HydrophobicContact CG2-CB 4.23Å; T262-F358 HydrophobicContact CG2-CD1 4.22Å; T262-D359 WeakPolarHBondContact CA-OD2 3.22Å
263N87.5Confident89.9Confident53 Ų5327.3 Ų27.328%0.28314%0.14SC..SBendtrans-87.8-14.9-178.2-68-10.8000112.9D359 F360 R370N263-D359 HydrophobicContact CB-CB 4.09Å; N263-D359 PolarHBondContact N-OD2 3.29Å; N263-D359 WeakPolarHBondContact ND2-CB 3.37Å; N263-F360 PolarHBondContact ND2-O 3.28Å; N263-R370 PolarHBondContact OD1-NH2 2.94Å
264S88.5Confident90.4Very high54 Ų5426.6 Ų26.638%0.37814%0.136SC..  trans-135.8140-174.7179.20000111.9D266 R267 C268S264-D266 PolarHBondContact O-N 2.89Å; S264-R267 PolarHBondContact O-N 3.44Å; S264-C268 PolarHBondContact O-N 2.99Å
265V88.8Confident90.9Very high4 Ų425.8 Ų25.82%0.02413%0.131CC..Hα-helixtrans-57.7-45.2176.4178.30000112.1R267 C268 Y269 N286 T312 E314V265-R267 VanDerWaalsContact C-N 3.27Å; V265-R267 PolarHBondContact O-N 3.4Å; V265-C268 VanDerWaalsContact O-CB 3.29Å; V265-C268 WeakPolarHBondContact O-CB 3.15Å; V265-C268 PolarHBondContact O-N 3.19Å; V265-C268 VanDerWaalsContact O-N 3.13Å; V265-Y269 HydrophobicContact CG1-CD2 3.74Å; V265-Y269 HydrophobicContact CG1-CE2 3.57Å; V265-Y269 VanDerWaalsContact O-CD2 3.28Å; V265-Y269 WeakPolarHBondContact O-CD2 3.4Å; V265-Y269 PolarHBondContact O-N 3.21Å; V265-N286 HydrophobicContact CG1-CB 4.32Å; V265-N286 HydrophobicContact CG2-CB 4.36Å; V265-T312 HydrophobicContact CB-CG2 4.45Å; V265-T312 HydrophobicContact CG2-CG2 4.07Å; V265-E314 HydrophobicContact CG2-CG 4.27Å; V265-E314 VanDerWaalsContact CG2-OE1 3.26Å; V265-E314 WeakPolarHBondContact CG2-OE1 3.48Å
266D90.8Very high91.3Very high76 Ų7624.6 Ų24.641%0.40613%0.13SC..Hα-helixtrans-64.6-34.7-179.6-67.8-18.6000111.5S264 K270 V456 R460S264-D266 PolarHBondContact O-N 2.89Å; D266-K270 WeakPolarHBondContact O-CB 3.48Å; D266-K270 PolarHBondContact O-N 3.12Å; D266-V456 HydrophobicContact CB-CG1 4.39Å; D266-V456 WeakPolarHBondContact O-CG1 3.33Å; D266-R460 IonicContact OD1-NH1 3.49Å; D266-R460 PolarHBondContact OD1-NH1 3.1Å
267R90.7Very high91.4Very high50 Ų5023.6 Ų23.619%0.18912%0.115CC..Hα-helixtrans-71.1-35.9175.6-170.9159.7173.6121.7-8.7111.6D238 S264 V265 K270 L271 D359D238-R267 IonicContact OD1-CZ 3.69Å; D238-R267 IonicContact OD1-NH1 2.53Å; D238-R267 IonicContact OD1-NH2 2.69Å; D238-R267 PolarHBondContact OD1-NH2 3.1Å; D238-R267 IonicContact OD2-CZ 3.78Å; D238-R267 IonicContact OD2-NH1 2.69Å; D238-R267 PolarHBondContact OD2-NH1 2.87Å; D238-R267 IonicContact OD2-NH2 2.59Å; S264-R267 PolarHBondContact O-N 3.44Å; V265-R267 VanDerWaalsContact C-N 3.27Å; V265-R267 PolarHBondContact O-N 3.4Å; R267-K270 WeakPolarHBondContact O-CB 3.32Å; R267-K270 PolarHBondContact O-N 3.2Å; R267-L271 WeakPolarHBondContact O-CB 3.36Å; R267-L271 PolarHBondContact O-N 3.16Å; R267-D359 VanDerWaalsContact CD-OD2 3.25Å; R267-D359 WeakPolarHBondContact CD-OD2 2.95Å; R267-D359 IonicContact CZ-OD1 3.49Å; R267-D359 VanDerWaalsContact NE-CG 3.34Å; R267-D359 IonicContact NE-OD1 3.77Å; R267-D359 PolarHBondContact NE-OD1 3.41Å; R267-D359 IonicContact NE-OD2 2.71Å; R267-D359 PolarHBondContact NE-OD2 3.15Å; R267-D359 IonicContact NH2-OD1 3.8Å; R267-D359 PolarHBondContact NH2-OD1 3.22Å
268C92.3Very high91.3Very high0 Ų022.6 Ų22.60%011%0.111CC..Hα-helixtrans-62.4-47.7173.7-155.60000111.9T262 S264 V265 K270 L271 R272 L284 L310 T312T262-C268 VanDerWaalsContact OG1-CB 3.31Å; T262-C268 WeakPolarHBondContact OG1-CB 3.47Å; S264-C268 PolarHBondContact O-N 2.99Å; V265-C268 VanDerWaalsContact O-CB 3.29Å; V265-C268 WeakPolarHBondContact O-CB 3.15Å; V265-C268 PolarHBondContact O-N 3.19Å; V265-C268 VanDerWaalsContact O-N 3.13Å; C268-K270 PolarHBondContact O-N 3.39Å; C268-L271 PolarHBondContact O-N 2.99Å; C268-R272 PolarHBondContact O-N 3.01Å; C268-L284 HydrophobicContact CB-CD1 4.01Å; C268-L284 WeakPolarHBondContact SG-CD1 3.44Å; C268-L310 VanDerWaalsContact SG-CB 3.53Å; C268-T312 HydrophobicContact CB-CG2 3.38Å
269Y92.4Very high90.9Very high3 Ų324.7 Ų24.71%0.01213%0.133CC..Hα-helixtrans-61.8-42.1173.3-83.5-75.7000112.5V265 L271 R272 L273 L284 N286 R460 E463V265-Y269 HydrophobicContact CG1-CD2 3.74Å; V265-Y269 HydrophobicContact CG1-CE2 3.57Å; V265-Y269 VanDerWaalsContact O-CD2 3.28Å; V265-Y269 WeakPolarHBondContact O-CD2 3.4Å; V265-Y269 PolarHBondContact O-N 3.21Å; Y269-L271 VanDerWaalsContact C-N 3.3Å; Y269-L271 PolarHBondContact O-N 2.93Å; Y269-R272 WeakPolarHBondContact O-CB 3.22Å; Y269-R272 PolarHBondContact O-N 3.35Å; Y269-L273 WeakPolarHBondContact O-CG 3.49Å; Y269-L273 PolarHBondContact O-N 2.67Å; Y269-L284 HydrophobicContact CD1-CD2 3.85Å; Y269-L284 HydrophobicContact CD2-CD2 4.33Å; Y269-L284 HydrophobicContact CE1-CD2 3.3Å; Y269-L284 HydrophobicContact CE2-CD2 3.85Å; Y269-L284 HydrophobicContact CG-CD2 4.31Å; Y269-L284 WeakPolarHBondContact OH-CD2 3.48Å; Y269-N286 WeakPolarHBondContact CE2-ND2 3.32Å; Y269-N286 PolarHBondContact OH-ND2 3.14Å; Y269-R460 HydrophobicContact CD1-CB 4.24Å; Y269-R460 HydrophobicContact CD2-CB 4.05Å; Y269-R460 HydrophobicContact CD2-CG 4.17Å; Y269-R460 HydrophobicContact CE1-CB 4.04Å; Y269-R460 HydrophobicContact CE1-CG 4.48Å; Y269-R460 HydrophobicContact CE2-CB 3.85Å; Y269-R460 HydrophobicContact CE2-CG 3.61Å; Y269-R460 HydrophobicContact CG-CB 4.26Å; Y269-E463 WeakPolarHBondContact CE1-OE2 3.38Å; Y269-E463 PolarHBondContact OH-OE2 3.34Å
270K92.5Very high90.6Very high60 Ų6025.4 Ų25.426%0.26114%0.136SC..Hα-helixtrans-58-45174.9-173.9177.3-174.7-176.90111.2D266 R267 C268 F274 I451 V456D266-K270 WeakPolarHBondContact O-CB 3.48Å; D266-K270 PolarHBondContact O-N 3.12Å; R267-K270 WeakPolarHBondContact O-CB 3.32Å; R267-K270 PolarHBondContact O-N 3.2Å; C268-K270 PolarHBondContact O-N 3.39Å; K270-F274 VanDerWaalsContact O-CB 3.27Å; K270-F274 WeakPolarHBondContact O-CB 3.44Å; K270-F274 PolarHBondContact O-N 3.32Å; K270-I451 HydrophobicContact CG-CG2 3.84Å; K270-V456 HydrophobicContact CB-CG2 4.02Å; K270-V456 HydrophobicContact CG-CG2 4.4Å
271L93.1Very high90.3Very high0 Ų034.4 Ų34.40%017%0.17CC..Hα-helixtrans-66.4-39.3178.2-179.159.4000112.2Y242 L245 I260 T262 R267 C268 Y269 F274 L275 L310 F358Y242-L271 HydrophobicContact CD1-CD1 4.1Å; Y242-L271 HydrophobicContact CE1-CD1 3.87Å; L245-L271 HydrophobicContact CD2-CD1 3.57Å; L245-L271 HydrophobicContact CD2-CD2 4.43Å; I260-L271 HydrophobicContact CG2-CD2 3.93Å; T262-L271 HydrophobicContact CG2-CD2 4.01Å; R267-L271 WeakPolarHBondContact O-CB 3.36Å; R267-L271 PolarHBondContact O-N 3.16Å; C268-L271 PolarHBondContact O-N 2.99Å; Y269-L271 VanDerWaalsContact C-N 3.3Å; Y269-L271 PolarHBondContact O-N 2.93Å; L271-F274 HydrophobicContact CD1-CD1 4.39Å; L271-F274 WeakPolarHBondContact O-CB 3.13Å; L271-F274 PolarHBondContact O-N 3.27Å; L271-L275 HydrophobicContact CD1-CD1 4.32Å; L271-L275 HydrophobicContact CD1-CG 4.23Å; L271-L275 HydrophobicContact CG-CD1 4.19Å; L271-L275 VanDerWaalsContact O-CG 3.31Å; L271-L275 WeakPolarHBondContact O-CG 3.3Å; L271-L275 PolarHBondContact O-N 3.22Å; L271-L310 HydrophobicContact CD2-CD2 3.8Å; L271-L310 HydrophobicContact CG-CD1 4.36Å; L271-L310 HydrophobicContact CG-CD2 4.22Å; L271-F358 HydrophobicContact CD1-CE2 4.4Å; L271-F358 HydrophobicContact CD2-CD1 4.44Å; L271-F358 HydrophobicContact CD2-CD2 4.39Å; L271-F358 HydrophobicContact CD2-CG 4.2Å
272R93.1Very high90.2Very high56 Ų5634.6 Ų34.621%0.21117%0.172CC..Hα-helixtrans-58.9-55174.4-178.7-177.5169.2171.52.2111.6C268 Y269 F274 L275 E276 L310 E463C268-R272 PolarHBondContact O-N 3.01Å; Y269-R272 WeakPolarHBondContact O-CB 3.22Å; Y269-R272 PolarHBondContact O-N 3.35Å; R272-F274 PolarHBondContact O-N 3.13Å; R272-L275 PolarHBondContact O-N 3.45Å; R272-L275 VanDerWaalsContact O-N 3.12Å; R272-E276 HydrophobicContact CG-CG 4.45Å; R272-E276 WeakPolarHBondContact CG-OE1 3.5Å; R272-E276 IonicContact CZ-OE1 2.79Å; R272-E276 IonicContact NE-OE1 2.84Å; R272-E276 PolarHBondContact NE-OE1 3.13Å; R272-E276 IonicContact NH2-OE1 2.91Å; R272-E276 WeakPolarHBondContact O-CG 3.45Å; R272-E276 PolarHBondContact O-N 3.27Å; R272-L310 HydrophobicContact CB-CD1 3.64Å; R272-L310 HydrophobicContact CG-CD1 4.38Å; R272-E463 IonicContact CZ-OE1 3.22Å; R272-E463 VanDerWaalsContact NH1-CD 3.28Å; R272-E463 IonicContact NH1-OE1 3.08Å; R272-E463 PolarHBondContact NH1-OE1 3.47Å; R272-E463 IonicContact NH1-OE2 3.47Å; R272-E463 PolarHBondContact NH1-OE2 3.48Å; R272-E463 IonicContact NH2-OE1 2.94Å
273L91.3Very high90.1Very high28 Ų2835 Ų3515%0.14718%0.175CC..Hα-helixtrans-57-41.4179.1-69.9173000110.9Y269 E276 E277 I451 V455 V456 A459Y269-L273 WeakPolarHBondContact O-CG 3.49Å; Y269-L273 PolarHBondContact O-N 2.67Å; L273-E276 PolarHBondContact O-N 3.38Å; L273-E277 PolarHBondContact O-N 2.87Å; L273-I451 HydrophobicContact CB-CD1 4.17Å; L273-I451 HydrophobicContact CB-CG2 4.41Å; L273-I451 HydrophobicContact CD1-CG2 4.13Å; L273-V455 HydrophobicContact CD1-CG1 4.04Å; L273-V456 HydrophobicContact CD1-CG2 4.17Å; L273-A459 HydrophobicContact CD1-CB 3.94Å; L273-A459 HydrophobicContact CD2-CB 3.96Å; L273-A459 HydrophobicContact CG-CB 4.32Å
274F92.6Very high90.3Very high0 Ų032.7 Ų32.70%016%0.163CC..Hα-helixtrans-60.5-48.6175.8-179-100.5000112.6Y242 I246 K270 L271 R272 E276 E277 F278 A444 V447 M448 I451Y242-F274 AromaticContact CD1-CD1 3.68Å; Y242-F274 HydrophobicContact CD1-CD1 3.68Å; Y242-F274 HydrophobicContact CD1-CD2 4.31Å; Y242-F274 AromaticContact CD1-CE1 3.65Å; Y242-F274 HydrophobicContact CD1-CE1 3.65Å; Y242-F274 HydrophobicContact CD1-CE2 4.33Å; Y242-F274 AromaticContact CD1-CG 3.97Å; Y242-F274 HydrophobicContact CD1-CG 3.97Å; Y242-F274 AromaticContact CD1-CZ 3.97Å; Y242-F274 HydrophobicContact CD1-CZ 3.97Å; Y242-F274 HydrophobicContact CE1-CD1 4.39Å; Y242-F274 HydrophobicContact CE1-CG 4.42Å; Y242-F274 HydrophobicContact CG-CE1 4.18Å; Y242-F274 HydrophobicContact CG-CZ 4.14Å; I246-F274 HydrophobicContact CD1-CE1 3.34Å; I246-F274 HydrophobicContact CD1-CE2 4.16Å; I246-F274 HydrophobicContact CD1-CZ 3.12Å; I246-F274 HydrophobicContact CG1-CE1 3.5Å; I246-F274 HydrophobicContact CG1-CZ 3.87Å; K270-F274 VanDerWaalsContact O-CB 3.27Å; K270-F274 WeakPolarHBondContact O-CB 3.44Å; K270-F274 PolarHBondContact O-N 3.32Å; L271-F274 HydrophobicContact CD1-CD1 4.39Å; L271-F274 WeakPolarHBondContact O-CB 3.13Å; L271-F274 PolarHBondContact O-N 3.27Å; R272-F274 PolarHBondContact O-N 3.13Å; F274-E276 VanDerWaalsContact C-N 3.33Å; F274-E276 PolarHBondContact O-N 3.39Å; F274-E277 PolarHBondContact O-N 3.19Å; F274-F278 HydrophobicContact CD2-CE2 4.2Å; F274-F278 HydrophobicContact CE1-CD2 4.41Å; F274-F278 HydrophobicContact CE1-CE2 4.17Å; F274-F278 AromaticContact CE2-CE2 3.75Å; F274-F278 HydrophobicContact CE2-CE2 3.75Å; F274-F278 HydrophobicContact CZ-CD2 4.46Å; F274-F278 AromaticContact CZ-CE2 3.78Å; F274-F278 HydrophobicContact CZ-CE2 3.78Å; F274-F278 VanDerWaalsContact O-CD2 3.24Å; F274-F278 WeakPolarHBondContact O-CD2 3.43Å; F274-A444 HydrophobicContact CE2-CB 4.24Å; F274-A444 HydrophobicContact CZ-CB 3.88Å; F274-V447 HydrophobicContact CD2-CB 4.09Å; F274-V447 HydrophobicContact CD2-CG1 3.59Å; F274-V447 HydrophobicContact CE2-CB 4.02Å; F274-V447 HydrophobicContact CE2-CG1 4.03Å; F274-M448 HydrophobicContact CD2-CG 4.12Å; F274-M448 HydrophobicContact CD2-SD 3.98Å; F274-M448 HydrophobicContact CE2-CG 3.83Å; F274-M448 HydrophobicContact CE2-SD 4.2Å; F274-I451 HydrophobicContact CB-CD1 3.68Å; F274-I451 HydrophobicContact CD2-CD1 4.12Å; F274-I451 HydrophobicContact CG-CD1 4.43Å
275L91.9Very high90.4Very high0 Ų030.1 Ų30.10%015%0.145CC..Hα-helixtrans-65.3-36.3178.5-70.8174.5000112.5L245 F249 I260 L271 R272 E277 F278 G279 I280 A282 L310L245-L275 HydrophobicContact CD2-CD2 4.23Å; F249-L275 HydrophobicContact CD2-CD2 3.95Å; F249-L275 HydrophobicContact CE2-CD2 4.04Å; I260-L275 HydrophobicContact CD1-CD1 4.49Å; L271-L275 HydrophobicContact CD1-CD1 4.32Å; L271-L275 HydrophobicContact CD1-CG 4.23Å; L271-L275 HydrophobicContact CG-CD1 4.19Å; L271-L275 VanDerWaalsContact O-CG 3.31Å; L271-L275 WeakPolarHBondContact O-CG 3.3Å; L271-L275 PolarHBondContact O-N 3.22Å; R272-L275 PolarHBondContact O-N 3.45Å; R272-L275 VanDerWaalsContact O-N 3.12Å; L275-E277 VanDerWaalsContact C-N 3.33Å; L275-E277 PolarHBondContact O-N 3.21Å; L275-F278 CarbonylContact O-C 3.58Å; L275-F278 PolarHBondContact O-N 3.47Å; L275-G279 PolarHBondContact O-N 2.95Å; L275-I280 CarbonylContact C-O 3.52Å; L275-I280 VanDerWaalsContact C-O 3.3Å; L275-I280 HydrophobicContact CB-CB 4.17Å; L275-I280 HydrophobicContact CB-CG2 4.44Å; L275-I280 HydrophobicContact CD2-CB 4.43Å; L275-I280 HydrophobicContact CD2-CD1 4.1Å; L275-I280 HydrophobicContact CD2-CG2 4.44Å; L275-I280 PolarHBondContact O-N 3.36Å; L275-A282 HydrophobicContact CD1-CB 4.22Å; L275-L310 HydrophobicContact CD1-CD1 4.43Å; L275-L310 HydrophobicContact CD1-CD2 4.09Å
276E89.9Confident90.3Very high73 Ų7329.9 Ų29.934%0.34114%0.144SC..Hα-helixtrans-61.6-37.8177.3-75.9178-177.300112.1R272 L273 F274 F278 G279R272-E276 HydrophobicContact CG-CG 4.45Å; R272-E276 WeakPolarHBondContact CG-OE1 3.5Å; R272-E276 IonicContact CZ-OE1 2.79Å; R272-E276 IonicContact NE-OE1 2.84Å; R272-E276 PolarHBondContact NE-OE1 3.13Å; R272-E276 IonicContact NH2-OE1 2.91Å; R272-E276 WeakPolarHBondContact O-CG 3.45Å; R272-E276 PolarHBondContact O-N 3.27Å; L273-E276 PolarHBondContact O-N 3.38Å; F274-E276 VanDerWaalsContact C-N 3.33Å; F274-E276 PolarHBondContact O-N 3.39Å; E276-F278 VanDerWaalsContact C-N 3.3Å; E276-F278 PolarHBondContact O-N 3.26Å; E276-G279 WeakPolarHBondContact O-CA 3.07Å; E276-G279 PolarHBondContact O-N 2.7Å
277E87.2Confident89.9Confident16 Ų1626.3 Ų26.38%0.07513%0.125CC..Hα-helixtrans-61.5-37.1175-73.3-56.6124.600112.7L273 F274 L275 G279 V447 H496 A498 Q499L273-E277 PolarHBondContact O-N 2.87Å; F274-E277 PolarHBondContact O-N 3.19Å; L275-E277 VanDerWaalsContact C-N 3.33Å; L275-E277 PolarHBondContact O-N 3.21Å; E277-G279 PolarHBondContact O-N 3Å; E277-V447 HydrophobicContact CB-CG1 3.98Å; E277-V447 HydrophobicContact CG-CG1 3.93Å; E277-H496 VanDerWaalsContact CD-CE1 3.45Å; E277-H496 IonicContact OE1-CE1 3.75Å; E277-H496 PolarHBondContact OE1-CE1 3.18Å; E277-H496 IonicContact OE1-ND1 3.93Å; E277-H496 PolarHBondContact OE1-ND1 3.17Å; E277-H496 VanDerWaalsContact OE1-ND1 3.08Å; E277-A498 WeakPolarHBondContact OE1-CA 3.31Å; E277-A498 VanDerWaalsContact OE1-CB 3.26Å; E277-A498 WeakPolarHBondContact OE1-CB 3.47Å; E277-A498 VanDerWaalsContact OE2-CA 3.29Å; E277-A498 WeakPolarHBondContact OE2-CA 3.33Å; E277-Q499 PolarHBondContact OE2-N 3.31Å
278F87Confident89.5Confident2 Ų226.1 Ų26.11%0.00913%0.126CC..THydrogen-bonded Turntrans-80.53.8173.3-67.3-81.7000112.8I246 K250 F274 L275 E276 I280 R443 V447 L502I246-F278 HydrophobicContact CD1-CD1 4.27Å; I246-F278 HydrophobicContact CD1-CD2 3.69Å; I246-F278 HydrophobicContact CD1-CE1 3.85Å; I246-F278 HydrophobicContact CD1-CE2 3.29Å; I246-F278 HydrophobicContact CD1-CG 4.2Å; I246-F278 HydrophobicContact CD1-CZ 3.36Å; I246-F278 HydrophobicContact CG1-CD2 3.92Å; I246-F278 HydrophobicContact CG1-CE2 4.05Å; I246-F278 HydrophobicContact CG1-CG 4.22Å; I246-F278 HydrophobicContact CG1-CZ 4.36Å; I246-F278 HydrophobicContact CG2-CD1 4.03Å; I246-F278 HydrophobicContact CG2-CE1 4.28Å; I246-F278 HydrophobicContact CG2-CG 4.28Å; K250-F278 WeakPolarHBondContact CE-O 3.19Å; K250-F278 PolarHBondContact NZ-O 3.4Å; F274-F278 HydrophobicContact CD2-CE2 4.2Å; F274-F278 HydrophobicContact CE1-CD2 4.41Å; F274-F278 HydrophobicContact CE1-CE2 4.17Å; F274-F278 AromaticContact CE2-CE2 3.75Å; F274-F278 HydrophobicContact CE2-CE2 3.75Å; F274-F278 HydrophobicContact CZ-CD2 4.46Å; F274-F278 AromaticContact CZ-CE2 3.78Å; F274-F278 HydrophobicContact CZ-CE2 3.78Å; F274-F278 VanDerWaalsContact O-CD2 3.24Å; F274-F278 WeakPolarHBondContact O-CD2 3.43Å; L275-F278 CarbonylContact O-C 3.58Å; L275-F278 PolarHBondContact O-N 3.47Å; E276-F278 VanDerWaalsContact C-N 3.3Å; E276-F278 PolarHBondContact O-N 3.26Å; F278-I280 VanDerWaalsContact C-N 3.33Å; F278-I280 HydrophobicContact CB-CD1 4.47Å; F278-R443 HydrophobicContact CE1-CB 4.37Å; F278-R443 HydrophobicContact CZ-CB 4.42Å; F278-V447 HydrophobicContact CE2-CB 4.22Å; F278-V447 HydrophobicContact CE2-CG1 4.32Å; F278-V447 HydrophobicContact CE2-CG2 3.84Å; F278-V447 HydrophobicContact CZ-CB 4.47Å; F278-V447 HydrophobicContact CZ-CG2 3.78Å; F278-L502 HydrophobicContact CD1-CD2 4.24Å; F278-L502 HydrophobicContact CE1-CD2 3.48Å; F278-L502 VanDerWaalsContact CE1-CD2 3.48Å; F278-L502 HydrophobicContact CZ-CD2 3.68Å
279G85Confident89Confident44 Ų4426.2 Ų26.245%0.45413%0.126SC..THydrogen-bonded Turntrans74.820-179.800000114.3L275 E276 E277L275-G279 PolarHBondContact O-N 2.95Å; E276-G279 WeakPolarHBondContact O-CA 3.07Å; E276-G279 PolarHBondContact O-N 2.7Å; E277-G279 PolarHBondContact O-N 3Å
280I88.2Confident88.5Confident15 Ų1529.2 Ų29.28%0.07715%0.146CC..  trans-96.6110.6175.1-59.6169.1000107.5F249 L275 F278 Y308F249-I280 HydrophobicContact CB-CD1 3.63Å; F249-I280 HydrophobicContact CD2-CD1 3.94Å; F249-I280 HydrophobicContact CG-CD1 4.23Å; L275-I280 CarbonylContact C-O 3.52Å; L275-I280 VanDerWaalsContact C-O 3.3Å; L275-I280 HydrophobicContact CB-CB 4.17Å; L275-I280 HydrophobicContact CB-CG2 4.44Å; L275-I280 HydrophobicContact CD2-CB 4.43Å; L275-I280 HydrophobicContact CD2-CD1 4.1Å; L275-I280 HydrophobicContact CD2-CG2 4.44Å; L275-I280 PolarHBondContact O-N 3.36Å; F278-I280 VanDerWaalsContact C-N 3.33Å; F278-I280 HydrophobicContact CB-CD1 4.47Å; I280-Y308 HydrophobicContact CG2-CD2 3.59Å; I280-Y308 HydrophobicContact CG2-CE2 3.63Å; I280-Y308 HydrophobicContact CG2-CG 4.28Å
281R87.4Confident87.8Confident188 Ų18827.1 Ų27.171%0.70914%0.138SC*.  trans-81.5122.5176.8-62.3-176.9-63.3172.93.5109.3
282A91.2Very high87.2Confident5 Ų534.3 Ų34.34%0.04117%0.169CC..EExtended strand (participates in β ladder)trans-124138.517500000110L275 Y308 L310L275-A282 HydrophobicContact CD1-CB 4.22Å; A282-Y308 WeakPolarHBondContact CA-O 3.37Å; A282-L310 HydrophobicContact CB-CD1 4.07Å; A282-L310 HydrophobicContact CB-CD2 4.42Å; A282-L310 HydrophobicContact CB-CG 3.89Å
283A91.5Very high86.8Confident7 Ų732.4 Ų32.46%0.05817%0.165CC..EExtended strand (participates in β ladder)trans-78.9151.1170.800000109.8V297 Y306 Y308 L309 L310A283-V297 HydrophobicContact CB-CG1 4.01Å; A283-Y306 HydrophobicContact CB-CD1 4.05Å; A283-Y306 HydrophobicContact CB-CD2 4.11Å; A283-Y306 HydrophobicContact CB-CE1 4.5Å; A283-Y306 HydrophobicContact CB-CG 3.83Å; A283-Y308 PolarHBondContact N-O 3.48Å; A283-L309 HydrophobicContact CB-CD1 3.72Å; A283-L310 PolarHBondContact O-N 3.37Å
284L91.6Very high86.5Confident5 Ų531.1 Ų31.13%0.02616%0.158CC..EExtended strand (participates in β ladder)trans-113.9132.2-178.8-176.770.2000110.2C268 Y269 N286 L310 E463C268-L284 HydrophobicContact CB-CD1 4.01Å; C268-L284 WeakPolarHBondContact SG-CD1 3.44Å; Y269-L284 HydrophobicContact CD1-CD2 3.85Å; Y269-L284 HydrophobicContact CD2-CD2 4.33Å; Y269-L284 HydrophobicContact CE1-CD2 3.3Å; Y269-L284 HydrophobicContact CE2-CD2 3.85Å; Y269-L284 HydrophobicContact CG-CD2 4.31Å; Y269-L284 WeakPolarHBondContact OH-CD2 3.48Å; L284-N286 WeakPolarHBondContact CD2-OD1 3.26Å; L284-L310 HydrophobicContact CD1-CB 4.13Å; L284-E463 WeakPolarHBondContact CD2-OE2 3.46Å
285L90Very high86.1Confident0 Ų033.1 Ų33.10%017%0.172CC..EExtended strand (participates in β ladder)trans-120.1106.1172.5-172.857.2000109.6R294 I298 L309 L310 T312 Y341 V343 I347 F349L285-R294 HydrophobicContact CD1-CB 3.8Å; L285-R294 HydrophobicContact CD1-CG 3.91Å; L285-I298 HydrophobicContact CD2-CD1 4.45Å; L285-I298 HydrophobicContact CD2-CG1 4.21Å; L285-L309 HydrophobicContact CB-CD1 4.15Å; L285-L309 HydrophobicContact CD2-CD2 4.47Å; L285-L310 PolarHBondContact N-O 2.98Å; L285-T312 PolarHBondContact O-N 3.46Å; L285-T312 PolarHBondContact O-OG1 3.49Å; L285-Y341 PolarHBondContact O-OH 3.27Å; L285-V343 HydrophobicContact CD2-CB 4.41Å; L285-V343 HydrophobicContact CD2-CG1 3.64Å; L285-V343 HydrophobicContact CD2-CG2 3.8Å; L285-V343 HydrophobicContact CG-CG1 4.48Å; L285-V343 HydrophobicContact CG-CG2 3.9Å; L285-I347 HydrophobicContact CD2-CD1 4.16Å; L285-F349 HydrophobicContact CD2-CE1 4.22Å; L285-F349 HydrophobicContact CD2-CZ 3.89Å
286N87Confident85.8Confident0 Ų037.8 Ų37.80%019%0.194CC..  trans-93.1150.8177.880.1-42000120.7V265 Y269 L284 E288 L289 R294 Y341V265-N286 HydrophobicContact CG1-CB 4.32Å; V265-N286 HydrophobicContact CG2-CB 4.36Å; Y269-N286 WeakPolarHBondContact CE2-ND2 3.32Å; Y269-N286 PolarHBondContact OH-ND2 3.14Å; L284-N286 WeakPolarHBondContact CD2-OD1 3.26Å; N286-E288 VanDerWaalsContact C-N 3.28Å; N286-L289 VanDerWaalsContact OD1-CD1 3.23Å; N286-L289 WeakPolarHBondContact OD1-CD1 3.17Å; N286-L289 VanDerWaalsContact OD1-CG 3.29Å; N286-L289 WeakPolarHBondContact OD1-CG 3.32Å; N286-R294 WeakPolarHBondContact O-CD 3.15Å; N286-Y341 VanDerWaalsContact C-CE2 3.42Å; N286-Y341 WeakPolarHBondContact CA-OH 3.44Å; N286-Y341 PolarHBondContact N-OH 3.08Å; N286-Y341 WeakPolarHBondContact O-CE2 3.36Å; N286-Y341 PolarHBondContact O-OH 3.15Å
287S81.9Confident85.8Confident1 Ų135 Ų351%0.00718%0.182CC..SBendtrans-73.8-20.2156.359.10000113.5E314 Y341S287-E314 VanDerWaalsContact CB-OE2 3.23Å; S287-E314 WeakPolarHBondContact CB-OE2 3.42Å; S287-E314 VanDerWaalsContact OG-CD 3.24Å; S287-E314 PolarHBondContact OG-OE2 2.98Å; S287-Y341 VanDerWaalsContact CB-CD1 3.41Å; S287-Y341 VanDerWaalsContact N-CZ 3.26Å; S287-Y341 PolarHBondContact N-OH 3.45Å
288E81.6Confident85.8Confident45 Ų4535 Ų3521%0.2118%0.182CC..SBendtrans-87.4-10.9-174.5-59.3-179.9-169.400113.5N286 R460N286-E288 VanDerWaalsContact C-N 3.28Å; E288-R460 VanDerWaalsContact CD-CZ 3.44Å; E288-R460 IonicContact OE1-CZ 2.82Å; E288-R460 IonicContact OE1-NE 3.99Å; E288-R460 PolarHBondContact OE1-NE 2.72Å; E288-R460 IonicContact OE1-NH1 2.65Å; E288-R460 IonicContact OE1-NH2 3.93Å; E288-R460 PolarHBondContact OE1-NH2 3.18Å; E288-R460 IonicContact OE2-CZ 2.78Å; E288-R460 IonicContact OE2-NE 2.72Å; E288-R460 PolarHBondContact OE2-NE 2.63Å; E288-R460 IonicContact OE2-NH2 3.07Å; E288-R460 PolarHBondContact OE2-NH2 3.17Å
289L82.1Confident85.7Confident3 Ų337.5 Ų37.52%0.01620%0.195CC..SBendtrans-82.8141178.6-65.8175.9000110.2N286 R294 E463 E467N286-L289 VanDerWaalsContact OD1-CD1 3.23Å; N286-L289 WeakPolarHBondContact OD1-CD1 3.17Å; N286-L289 VanDerWaalsContact OD1-CG 3.29Å; N286-L289 WeakPolarHBondContact OD1-CG 3.32Å; L289-R294 HydrophobicContact CB-CG 3.68Å; L289-R294 VanDerWaalsContact O-CD 3.24Å; L289-R294 WeakPolarHBondContact O-CD 3.29Å; L289-R294 PolarHBondContact O-NE 3.5Å; L289-E463 HydrophobicContact CD2-CG 4.24Å; L289-E467 HydrophobicContact CD2-CG 4.2Å
290P81.9Confident85.9Confident65 Ų6537.2 Ų37.242%0.42218%0.182SC..  trans-58.1144174.1-22.332.3000112K292 S293 R294P290-K292 VanDerWaalsContact C-N 3.26Å; P290-K292 PolarHBondContact O-N 2.95Å; P290-K292 VanDerWaalsContact O-N 3.13Å; P290-S293 WeakPolarHBondContact O-CA 3.48Å; P290-S293 WeakPolarHBondContact O-CB 3.3Å; P290-S293 PolarHBondContact O-N 3.05Å; P290-R294 WeakPolarHBondContact O-CG 3.14Å; P290-R294 PolarHBondContact O-N 3.3Å
291V78.7Confident86Confident17 Ų1736.5 Ų36.510%0.10318%0.179CC..Hα-helixtrans-47.2-45.2-180179.70000112.7K88 S293 R294 S295K88-V291 HydrophobicContact CB-CG1 4.08Å; K88-V291 HydrophobicContact CD-CG2 3.8Å; V291-S293 VanDerWaalsContact C-N 3.35Å; V291-S293 PolarHBondContact O-N 3.09Å; V291-R294 WeakPolarHBondContact O-CB 3.45Å; V291-R294 PolarHBondContact O-N 3.17Å; V291-S295 PolarHBondContact O-N 3.48Å; V291-S295 PolarHBondContact O-OG 2.87Å
292K80.5Confident86.1Confident150 Ų15028.9 Ų28.965%0.65215%0.152SC*.Hα-helixtrans-59-43.1178-69.7-173.6-179.8-1760112.3P290 H296 E472P290-K292 VanDerWaalsContact C-N 3.26Å; P290-K292 PolarHBondContact O-N 2.95Å; P290-K292 VanDerWaalsContact O-N 3.13Å; K292-H296 WeakPolarHBondContact O-CB 3.12Å; K292-H296 PolarHBondContact O-N 2.98Å; K292-E472 IonicContact NZ-OE2 2.77Å; K292-E472 PolarHBondContact NZ-OE2 2.86Å; K292-E472 VanDerWaalsContact NZ-OE2 3.13Å
293S84.5Confident85.8Confident17 Ų1737 Ų3712%0.11918%0.182CC..Hα-helixtrans-68.6-40.9177.4-177.50000110.9P290 V291 S295 H296 V297 E467P290-S293 WeakPolarHBondContact O-CA 3.48Å; P290-S293 WeakPolarHBondContact O-CB 3.3Å; P290-S293 PolarHBondContact O-N 3.05Å; V291-S293 VanDerWaalsContact C-N 3.35Å; V291-S293 PolarHBondContact O-N 3.09Å; S293-S295 PolarHBondContact O-N 3.17Å; S293-H296 WeakPolarHBondContact O-CA 2.93Å; S293-H296 WeakPolarHBondContact O-CB 2.92Å; S293-H296 PolarHBondContact O-N 2.77Å; S293-H296 VanDerWaalsContact O-N 3.11Å; S293-V297 WeakPolarHBondContact O-CG2 3.36Å; S293-V297 PolarHBondContact O-N 2.98Å; S293-E467 WeakPolarHBondContact CB-OE1 3.38Å; S293-E467 PolarHBondContact OG-OE1 3.27Å
294R85.7Confident85.6Confident1 Ų138.3 Ų38.30%0.00420%0.196CC..Hα-helixtrans-58.5-49.1174.4-63.1-168.2-76.2124.9-14.5112E89 L285 N286 L289 P290 V291 H296 V297 I298 D338 Y341E89-R294 IonicContact OE1-CZ 2.66Å; E89-R294 IonicContact OE1-NE 2.85Å; E89-R294 IonicContact OE1-NH1 3.04Å; E89-R294 PolarHBondContact OE1-NH1 3.47Å; E89-R294 IonicContact OE1-NH2 2.67Å; E89-R294 PolarHBondContact OE1-NH2 3.26Å; E89-R294 VanDerWaalsContact OE1-NH2 3.14Å; E89-R294 IonicContact OE2-NH1 3.29Å; L285-R294 HydrophobicContact CD1-CB 3.8Å; L285-R294 HydrophobicContact CD1-CG 3.91Å; N286-R294 WeakPolarHBondContact O-CD 3.15Å; L289-R294 HydrophobicContact CB-CG 3.68Å; L289-R294 VanDerWaalsContact O-CD 3.24Å; L289-R294 WeakPolarHBondContact O-CD 3.29Å; L289-R294 PolarHBondContact O-NE 3.5Å; P290-R294 WeakPolarHBondContact O-CG 3.14Å; P290-R294 PolarHBondContact O-N 3.3Å; V291-R294 WeakPolarHBondContact O-CB 3.45Å; V291-R294 PolarHBondContact O-N 3.17Å; R294-H296 VanDerWaalsContact C-N 3.28Å; R294-H296 PolarHBondContact O-N 3.48Å; R294-V297 PolarHBondContact O-N 2.65Å; R294-I298 WeakPolarHBondContact O-CD1 3.2Å; R294-I298 VanDerWaalsContact O-CG1 3.28Å; R294-I298 WeakPolarHBondContact O-CG1 3.5Å; R294-I298 PolarHBondContact O-N 3.25Å; R294-D338 IonicContact CZ-OD2 2.9Å; R294-D338 IonicContact NE-OD2 3.02Å; R294-D338 IonicContact NH2-OD2 3.03Å; R294-D338 PolarHBondContact NH2-OD2 3.46Å; R294-Y341 VanDerWaalsContact NH1-CD2 3.27Å
295S82.4Confident85.4Confident42 Ų4243.4 Ų43.429%0.29422%0.222SC..Hα-helixtrans-59.8-38.9174.4-63.30000112.1V291 S293 I298 D299V291-S295 PolarHBondContact O-N 3.48Å; V291-S295 PolarHBondContact O-OG 2.87Å; S293-S295 PolarHBondContact O-N 3.17Å; S295-I298 PolarHBondContact O-N 2.78Å; S295-D299 WeakPolarHBondContact O-CB 3.3Å; S295-D299 PolarHBondContact O-N 3.13Å
296H86.6Confident85.4Confident97 Ų9746.8 Ų46.845%0.44924%0.235SC..Hα-helixtrans-64.2-44175.6-172.158.6000112.3K292 S293 R294 I298 D299 Q300K292-H296 WeakPolarHBondContact O-CB 3.12Å; K292-H296 PolarHBondContact O-N 2.98Å; S293-H296 WeakPolarHBondContact O-CA 2.93Å; S293-H296 WeakPolarHBondContact O-CB 2.92Å; S293-H296 PolarHBondContact O-N 2.77Å; S293-H296 VanDerWaalsContact O-N 3.11Å; R294-H296 VanDerWaalsContact C-N 3.28Å; R294-H296 PolarHBondContact O-N 3.48Å; H296-I298 VanDerWaalsContact C-N 3.32Å; H296-I298 PolarHBondContact O-N 2.73Å; H296-D299 PolarHBondContact O-N 2.96Å; H296-Q300 PolarHBondContact CD2-NE2 2.88Å; H296-Q300 VanDerWaalsContact CD2-NE2 3.28Å; H296-Q300 PolarHBondContact NE2-NE2 3.35Å; H296-Q300 VanDerWaalsContact O-CG 3.28Å; H296-Q300 WeakPolarHBondContact O-CG 3.28Å; H296-Q300 PolarHBondContact O-N 3.06Å
297V88.9Confident85.5Confident15 Ų1550.9 Ų50.99%0.09126%0.258CS..Hα-helixtrans-60.2-42.9175.71690000111.2A283 S293 R294 Q300 F301 L309A283-V297 HydrophobicContact CB-CG1 4.01Å; S293-V297 WeakPolarHBondContact O-CG2 3.36Å; S293-V297 PolarHBondContact O-N 2.98Å; R294-V297 PolarHBondContact O-N 2.65Å; V297-Q300 PolarHBondContact O-N 3.19Å; V297-F301 WeakPolarHBondContact O-CB 3.41Å; V297-F301 PolarHBondContact O-N 3.16Å; V297-L309 HydrophobicContact CG1-CD1 3.64Å
298I87.5Confident86Confident17 Ų1752.8 Ų52.89%0.08727%0.265CS..Hα-helixtrans-63.5-43.9177.1-64.5157000110.6L285 R294 S295 H296 F301 N302 I347 F349L285-I298 HydrophobicContact CD2-CD1 4.45Å; L285-I298 HydrophobicContact CD2-CG1 4.21Å; R294-I298 WeakPolarHBondContact O-CD1 3.2Å; R294-I298 VanDerWaalsContact O-CG1 3.28Å; R294-I298 WeakPolarHBondContact O-CG1 3.5Å; R294-I298 PolarHBondContact O-N 3.25Å; S295-I298 PolarHBondContact O-N 2.78Å; H296-I298 VanDerWaalsContact C-N 3.32Å; H296-I298 PolarHBondContact O-N 2.73Å; I298-F301 PolarHBondContact O-N 2.82Å; I298-N302 WeakPolarHBondContact O-CB 3.28Å; I298-N302 VanDerWaalsContact O-CG 3.23Å; I298-N302 PolarHBondContact O-N 3.24Å; I298-I347 HydrophobicContact CD1-CD1 4.05Å; I298-I347 HydrophobicContact CD1-CG2 3.6Å; I298-I347 HydrophobicContact CG1-CG2 4.02Å; I298-I347 HydrophobicContact CG2-CG2 4.17Å; I298-F349 HydrophobicContact CG1-CE1 4.15Å
299D86.5Confident86.6Confident53 Ų5350.6 Ų50.628%0.28326%0.255SS..Hα-helixtrans-63-44.4175.917747.8000111.9S295 H296 F301 N302 R303S295-D299 WeakPolarHBondContact O-CB 3.3Å; S295-D299 PolarHBondContact O-N 3.13Å; H296-D299 PolarHBondContact O-N 2.96Å; D299-F301 VanDerWaalsContact C-N 3.32Å; D299-F301 PolarHBondContact O-N 2.84Å; D299-N302 PolarHBondContact O-N 2.6Å; D299-R303 WeakPolarHBondContact O-CB 3.43Å; D299-R303 VanDerWaalsContact O-CG 3.27Å; D299-R303 WeakPolarHBondContact O-CG 3.28Å; D299-R303 PolarHBondContact O-N 2.95Å; D299-R303 IonicContact OD1-CZ 2.88Å; D299-R303 IonicContact OD1-NE 2.7Å; D299-R303 PolarHBondContact OD1-NE 3.18Å; D299-R303 IonicContact OD1-NH2 3.25Å; D299-R303 PolarHBondContact OD1-NH2 2.88Å; D299-R303 IonicContact OD2-CZ 3.7Å; D299-R303 IonicContact OD2-NE 3.55Å; D299-R303 PolarHBondContact OD2-NE 3.35Å; D299-R303 IonicContact OD2-NH1 3.63Å; D299-R303 IonicContact OD2-NH2 3.47Å; D299-R303 PolarHBondContact OD2-NH2 3.37Å
300Q89.2Confident87.1Confident38 Ų3850.5 Ų50.518%0.17825%0.254CS..Hα-helixtrans-59.9-42.1175.2-71.3-179.7-11.900112.1H296 V297 G304 L305 Y306H296-Q300 PolarHBondContact CD2-NE2 2.88Å; H296-Q300 VanDerWaalsContact CD2-NE2 3.28Å; H296-Q300 PolarHBondContact NE2-NE2 3.35Å; H296-Q300 VanDerWaalsContact O-CG 3.28Å; H296-Q300 WeakPolarHBondContact O-CG 3.28Å; H296-Q300 PolarHBondContact O-N 3.06Å; V297-Q300 PolarHBondContact O-N 3.19Å; Q300-G304 PolarHBondContact O-N 3.2Å; Q300-L305 HydrophobicContact CB-CB 4.45Å; Q300-L305 HydrophobicContact CB-CD1 4.15Å; Q300-L305 HydrophobicContact CG-CD1 4.03Å; Q300-L305 WeakPolarHBondContact O-CB 3.41Å; Q300-L305 PolarHBondContact O-N 3.27Å; Q300-Y306 HydrophobicContact CB-CD2 4.11Å; Q300-Y306 HydrophobicContact CB-CE2 4.31Å; Q300-Y306 VanDerWaalsContact OE1-CE2 3.24Å
301F90.3Very high87.6Confident0 Ų047.4 Ų47.40%023%0.234CC..Hα-helixtrans-66.4-42.5175.2-179-102.5000111.6K257 V297 I298 D299 R303 G304 Y306 L309 F349 V352K257-F301 HydrophobicContact CB-CE2 4.13Å; K257-F301 HydrophobicContact CB-CZ 3.78Å; K257-F301 HydrophobicContact CD-CE1 4.26Å; K257-F301 HydrophobicContact CD-CE2 4.47Å; K257-F301 HydrophobicContact CD-CZ 4.15Å; K257-F301 VanDerWaalsContact CE-O 3.31Å; K257-F301 WeakPolarHBondContact CE-O 3.46Å; K257-F301 HydrophobicContact CG-CZ 4.41Å; K257-F301 PolarHBondContact NZ-O 2.85Å; V297-F301 WeakPolarHBondContact O-CB 3.41Å; V297-F301 PolarHBondContact O-N 3.16Å; I298-F301 PolarHBondContact O-N 2.82Å; D299-F301 VanDerWaalsContact C-N 3.32Å; D299-F301 PolarHBondContact O-N 2.84Å; F301-R303 PolarHBondContact O-N 3.02Å; F301-G304 PolarHBondContact O-N 3.33Å; F301-Y306 WeakPolarHBondContact CD2-O 3.42Å; F301-L309 HydrophobicContact CB-CD2 4.42Å; F301-L309 HydrophobicContact CD1-CD2 4.17Å; F301-L309 HydrophobicContact CD2-CB 3.64Å; F301-L309 HydrophobicContact CD2-CD2 4.39Å; F301-L309 HydrophobicContact CE2-CB 3.64Å; F301-L309 HydrophobicContact CG-CB 4.18Å; F301-L309 HydrophobicContact CG-CD2 4.07Å; F301-L309 HydrophobicContact CZ-CB 4.19Å; F301-F349 AromaticContact CD1-CD1 3.98Å; F301-F349 HydrophobicContact CD1-CD1 3.98Å; F301-F349 HydrophobicContact CE1-CB 4.2Å; F301-F349 HydrophobicContact CE1-CD1 4.13Å; F301-F349 HydrophobicContact CE1-CG 4.5Å; F301-V352 HydrophobicContact CE1-CG2 3.92Å; F301-V352 HydrophobicContact CZ-CG2 4.25Å
302N87.7Confident88.1Confident29 Ų2946.6 Ų46.616%0.15523%0.229CC..Hα-helixtrans-65-37.7177.9-74.9-15.1000111.9K257 I298 D299 G304 D348 Q350K257-N302 VanDerWaalsContact NZ-C 3.35Å; K257-N302 PolarHBondContact NZ-O 3.34Å; I298-N302 WeakPolarHBondContact O-CB 3.28Å; I298-N302 VanDerWaalsContact O-CG 3.23Å; I298-N302 PolarHBondContact O-N 3.24Å; D299-N302 PolarHBondContact O-N 2.6Å; N302-G304 PolarHBondContact O-N 3.24Å; N302-D348 PolarHBondContact ND2-O 3.34Å; N302-Q350 HydrophobicContact CB-CB 4.33Å; N302-Q350 HydrophobicContact CB-CG 4.5Å; N302-Q350 PolarHBondContact OD1-N 3.47Å
303R87Confident87.9Confident176 Ų17640 Ų4066%0.66420%0.201SC*.Hα-helixtrans-68.4-15171.1-69.3176.2-168-164.64.5114.1D299 F301 L305D299-R303 WeakPolarHBondContact O-CB 3.43Å; D299-R303 VanDerWaalsContact O-CG 3.27Å; D299-R303 WeakPolarHBondContact O-CG 3.28Å; D299-R303 PolarHBondContact O-N 2.95Å; D299-R303 IonicContact OD1-CZ 2.88Å; D299-R303 IonicContact OD1-NE 2.7Å; D299-R303 PolarHBondContact OD1-NE 3.18Å; D299-R303 IonicContact OD1-NH2 3.25Å; D299-R303 PolarHBondContact OD1-NH2 2.88Å; D299-R303 IonicContact OD2-CZ 3.7Å; D299-R303 IonicContact OD2-NE 3.55Å; D299-R303 PolarHBondContact OD2-NE 3.35Å; D299-R303 IonicContact OD2-NH1 3.63Å; D299-R303 IonicContact OD2-NH2 3.47Å; D299-R303 PolarHBondContact OD2-NH2 3.37Å; F301-R303 PolarHBondContact O-N 3.02Å; R303-L305 HydrophobicContact CB-CG 4.37Å
304G86Confident86.9Confident34 Ų3441.7 Ų41.735%0.35121%0.207SC..THydrogen-bonded Turntrans78.426-179.500000113.9Q300 F301 N302 Y306Q300-G304 PolarHBondContact O-N 3.2Å; F301-G304 PolarHBondContact O-N 3.33Å; N302-G304 PolarHBondContact O-N 3.24Å; G304-Y306 VanDerWaalsContact C-N 3.29Å
305L88.7Confident85.4Confident111 Ų11144.5 Ų44.558%0.58123%0.227SC*.SBendtrans-70.7-31.1170.8-64.7175.8000111.4Q300 R303Q300-L305 HydrophobicContact CB-CB 4.45Å; Q300-L305 HydrophobicContact CB-CD1 4.15Å; Q300-L305 HydrophobicContact CG-CD1 4.03Å; Q300-L305 WeakPolarHBondContact O-CB 3.41Å; Q300-L305 PolarHBondContact O-N 3.27Å; R303-L305 HydrophobicContact CB-CG 4.37Å
306Y88.2Confident83.8Confident71 Ų7145.9 Ų45.928%0.27823%0.228SC..  trans-119.3130.3173.3-65.9-89.7000109.8A283 Q300 F301 G304A283-Y306 HydrophobicContact CB-CD1 4.05Å; A283-Y306 HydrophobicContact CB-CD2 4.11Å; A283-Y306 HydrophobicContact CB-CE1 4.5Å; A283-Y306 HydrophobicContact CB-CG 3.83Å; Q300-Y306 HydrophobicContact CB-CD2 4.11Å; Q300-Y306 HydrophobicContact CB-CE2 4.31Å; Q300-Y306 VanDerWaalsContact OE1-CE2 3.24Å; F301-Y306 WeakPolarHBondContact CD2-O 3.42Å; G304-Y306 VanDerWaalsContact C-N 3.29Å
307D89.6Confident81.4Confident87 Ų8744.7 Ų44.747%0.46524%0.235SC..SBendtrans-82.1-23.9172.5-68.1-44.8000111.7K257 T258K257-D307 CarbonylContact C-O 3.54Å; K257-D307 VanDerWaalsContact CA-O 3.29Å; K257-D307 WeakPolarHBondContact CA-O 3.44Å; T258-D307 PolarHBondContact N-O 3.4Å
308Y92.7Very high78.9Confident40 Ų4050.1 Ų50.116%0.15726%0.264CS..EExtended strand (participates in β ladder)trans-120.5128.3-175.4-51.2-77.8000110.2F249 T258 I280 A282 A283F249-Y308 HydrophobicContact CD1-CD1 4.41Å; F249-Y308 AromaticContact CD1-CE1 3.59Å; F249-Y308 HydrophobicContact CD1-CE1 3.59Å; F249-Y308 AromaticContact CE1-CD1 3.91Å; F249-Y308 HydrophobicContact CE1-CD1 3.91Å; F249-Y308 AromaticContact CE1-CE1 3.45Å; F249-Y308 HydrophobicContact CE1-CE1 3.45Å; F249-Y308 VanDerWaalsContact CE1-CE1 3.45Å; F249-Y308 HydrophobicContact CE2-CD1 4.38Å; F249-Y308 HydrophobicContact CE2-CE1 4.4Å; F249-Y308 HydrophobicContact CG-CE1 4.17Å; F249-Y308 AromaticContact CZ-CD1 3.9Å; F249-Y308 HydrophobicContact CZ-CD1 3.9Å; F249-Y308 AromaticContact CZ-CE1 3.89Å; F249-Y308 HydrophobicContact CZ-CE1 3.89Å; T258-Y308 HydrophobicContact CG2-CD1 4.42Å; T258-Y308 WeakPolarHBondContact O-CA 3.28Å; I280-Y308 HydrophobicContact CG2-CD2 3.59Å; I280-Y308 HydrophobicContact CG2-CE2 3.63Å; I280-Y308 HydrophobicContact CG2-CG 4.28Å; A282-Y308 WeakPolarHBondContact CA-O 3.37Å; A283-Y308 PolarHBondContact N-O 3.48Å
309L93.6Very high76.6Confident0 Ų056.2 Ų56.20%029%0.292CS..EExtended strand (participates in β ladder)trans-121.3122.4173.1-178.663.6000109.1T258 L259 I260 A283 L285 V297 F301 F349T258-L309 PolarHBondContact O-N 3.45Å; L259-L309 HydrophobicContact CD1-CB 3.85Å; L259-L309 HydrophobicContact CD1-CD2 3.69Å; L259-L309 HydrophobicContact CD1-CG 3.8Å; I260-L309 PolarHBondContact N-O 3.28Å; A283-L309 HydrophobicContact CB-CD1 3.72Å; L285-L309 HydrophobicContact CB-CD1 4.15Å; L285-L309 HydrophobicContact CD2-CD2 4.47Å; V297-L309 HydrophobicContact CG1-CD1 3.64Å; F301-L309 HydrophobicContact CB-CD2 4.42Å; F301-L309 HydrophobicContact CD1-CD2 4.17Å; F301-L309 HydrophobicContact CD2-CB 3.64Å; F301-L309 HydrophobicContact CD2-CD2 4.39Å; F301-L309 HydrophobicContact CE2-CB 3.64Å; F301-L309 HydrophobicContact CG-CB 4.18Å; F301-L309 HydrophobicContact CG-CD2 4.07Å; F301-L309 HydrophobicContact CZ-CB 4.19Å; L309-F349 HydrophobicContact CD2-CD1 3.84Å; L309-F349 HydrophobicContact CD2-CE1 3.28Å; L309-F349 HydrophobicContact CD2-CZ 3.98Å
310L93.8Very high73.9Confident0 Ų057.7 Ų57.70%031%0.306CS..EExtended strand (participates in β ladder)trans-93122.7172.8-55.4179.3000108.6I260 C268 L271 R272 L275 A282 A283 L284 L285I260-L310 HydrophobicContact CB-CD2 3.65Å; I260-L310 HydrophobicContact CD1-CD2 3.64Å; I260-L310 HydrophobicContact CG1-CD2 4Å; I260-L310 HydrophobicContact CG2-CD2 4.14Å; I260-L310 WeakPolarHBondContact O-CA 3.29Å; C268-L310 VanDerWaalsContact SG-CB 3.53Å; L271-L310 HydrophobicContact CD2-CD2 3.8Å; L271-L310 HydrophobicContact CG-CD1 4.36Å; L271-L310 HydrophobicContact CG-CD2 4.22Å; R272-L310 HydrophobicContact CB-CD1 3.64Å; R272-L310 HydrophobicContact CG-CD1 4.38Å; L275-L310 HydrophobicContact CD1-CD1 4.43Å; L275-L310 HydrophobicContact CD1-CD2 4.09Å; A282-L310 HydrophobicContact CB-CD1 4.07Å; A282-L310 HydrophobicContact CB-CD2 4.42Å; A282-L310 HydrophobicContact CB-CG 3.89Å; A283-L310 PolarHBondContact O-N 3.37Å; L284-L310 HydrophobicContact CD1-CB 4.13Å; L285-L310 PolarHBondContact N-O 2.98Å
311A92.3Very high71Confident0 Ų062.7 Ų62.70%034%0.339CS..EExtended strand (participates in β ladder)trans-120.6142.5-178.600000110.6L259 I260 F261 T262 V343L259-A311 HydrophobicContact CD1-CB 4.12Å; I260-A311 PolarHBondContact O-N 3.14Å; F261-A311 WeakPolarHBondContact CA-O 3.29Å; F261-A311 HydrophobicContact CD1-CB 3.81Å; F261-A311 HydrophobicContact CE1-CB 3.84Å; T262-A311 PolarHBondContact N-O 2.79Å; T262-A311 PolarHBondContact OG1-O 3.01Å; A311-V343 HydrophobicContact CB-CB 4.29Å; A311-V343 HydrophobicContact CB-CG1 3.55Å
312T88.6Confident68.1Low0 Ų067.9 Ų67.90%038%0.376CS..EExtended strand (participates in β ladder)trans-105132.717253.40000110.3T262 V265 C268 L285 E314 Y341T262-T312 WeakPolarHBondContact O-CA 3.4Å; V265-T312 HydrophobicContact CB-CG2 4.45Å; V265-T312 HydrophobicContact CG2-CG2 4.07Å; C268-T312 HydrophobicContact CB-CG2 3.38Å; L285-T312 PolarHBondContact O-N 3.46Å; L285-T312 PolarHBondContact O-OG1 3.49Å; T312-E314 PolarHBondContact O-N 2.74Å; T312-Y341 WeakPolarHBondContact O-CE1 3.4Å; T312-Y341 PolarHBondContact OG1-OH 3.47Å
313D76.1Confident65.3Low11 Ų1174.3 Ų74.36%0.05941%0.41CS..  trans-92.692.8166.2-76.5-7.3000109.2T262 S315 S344 L366 R370T262-D313 PolarHBondContact O-N 2.91Å; D313-S315 PolarHBondContact O-N 3.1Å; D313-S344 WeakPolarHBondContact OD1-CB 3.18Å; D313-S344 PolarHBondContact OD1-N 3.4Å; D313-L366 HydrophobicContact CB-CD2 4.31Å; D313-L366 WeakPolarHBondContact OD2-CD2 3.46Å; D313-R370 IonicContact OD2-CZ 3.29Å; D313-R370 IonicContact OD2-NE 3.73Å; D313-R370 PolarHBondContact OD2-NE 3.13Å; D313-R370 IonicContact OD2-NH2 2.79Å; D313-R370 PolarHBondContact OD2-NH2 3.47Å
314E64.4Low62.8Low54 Ų5473.5 Ų73.525%0.25242%0.419SS..  trans-87.373.8161.5-69.3-160.3154.500108.2V265 S287 T312 Y341V265-E314 HydrophobicContact CG2-CG 4.27Å; V265-E314 VanDerWaalsContact CG2-OE1 3.26Å; V265-E314 WeakPolarHBondContact CG2-OE1 3.48Å; S287-E314 VanDerWaalsContact CB-OE2 3.23Å; S287-E314 WeakPolarHBondContact CB-OE2 3.42Å; S287-E314 VanDerWaalsContact OG-CD 3.24Å; S287-E314 PolarHBondContact OG-OE2 2.98Å; T312-E314 PolarHBondContact O-N 2.74Å; E314-Y341 HydrophobicContact CB-CD1 4.4Å
315S54.2Low60.2Low59 Ų5981.4 Ų81.441%0.41345%0.447SS..  trans-90.9113.2168.2-59.10000108.7D313 A317D313-S315 PolarHBondContact O-N 3.1Å; S315-A317 PolarHBondContact O-N 3.18Å
316Q48.3Very low57.4Low71 Ų7180.1 Ų80.133%0.33246%0.461SS..SBendtrans0.810.8161.1-65.6-120.71.800123.4D318 H319Q316-D318 PolarHBondContact O-N 2.88Å; Q316-H319 PolarHBondContact O-N 3.46Å; Q316-H319 PolarHBondContact OE1-CD2 2.86Å
317A36.3Very low54.7Low72 Ų7280.1 Ų80.160%0.59548%0.482SS*.THydrogen-bonded Turntrans-60.2-14.7179.100000113.6S315S315-A317 PolarHBondContact O-N 3.18Å
318D36.5Very low51.9Low130 Ų13086.6 Ų86.670%0.69551%0.506SS*.THydrogen-bonded Turntrans-83.9-6.7176.5-70.5-9000114.2Q316Q316-D318 PolarHBondContact O-N 2.88Å
319H38.3Very low49.2Very low145 Ų14594 Ų9467%0.67154%0.539SS*.SBendtrans-94.4-9-176.7-78.6-58.3000115.5Q316Q316-H319 PolarHBondContact O-N 3.46Å; Q316-H319 PolarHBondContact OE1-CD2 2.86Å
320S30.5Very low46.6Very low83 Ų8399.1 Ų99.158%0.5858%0.575SS**SBendtrans-104.3126.2169.451.10000110.4
321T28Very low43.9Very low143 Ų143107.8 Ų107.888%0.87762%0.62SS**  trans74.974.5175.539.40000118.6
322S29.6Very low41.2Very low109 Ų109116.9 Ų116.976%0.76266%0.66SS**  trans-139.549.7140.754.10000111.5N324S322-N324 PolarHBondContact O-N 3.33Å
323N28.8Very low38.8Very low165 Ų165126 Ų12688%0.88270%0.699SS**  trans-84.778.2151.8-84.4-1.8000107.3
324N34.1Very low37.1Very low159 Ų159131.4 Ų131.485%0.8574%0.735SS**  trans-121.5111.2159.8-105.5-5.8000107.3S322S322-N324 PolarHBondContact O-N 3.33Å
325E31.9Very low36.4Very low199 Ų199136.7 Ų136.793%0.9375%0.752SS**  trans-60144.9175.8-60.3178.4148.500110.7
326G28.9Very low36.3Very low85 Ų85139.9 Ų139.988%0.87677%0.773SS**  trans97.279.6163.700000116.3
327G32.4Very low36.8Very low70 Ų70142.1 Ų142.172%0.72278%0.779SS**  trans175.793.916400000114.6K329G327-K329 PolarHBondContact O-N 3.19Å
328K30.1Very low38Very low224 Ų224141 Ų14197%0.97476%0.763SS**  trans-59.893.8168.8-73.7176.5176.7174.50110.2
329K36.9Very low39.4Very low196 Ų196139 Ų13985%0.85276%0.755SS**  trans-134.1133.4164.6-74-176.1179.8172.10109.2G327G327-K329 PolarHBondContact O-N 3.19Å
330S38.4Very low40.7Very low107 Ų107133.2 Ų133.275%0.74873%0.728SS**  trans-41.7129.2-166.250.50000116K332S330-K332 PolarHBondContact O-N 2.74Å
331L37.5Very low42.4Very low181 Ų181129.6 Ų129.695%0.94870%0.702SS**  trans-60.196.9172.2-80.1108.3000110.6K333L331-K333 PolarHBondContact O-N 3.17Å
332K36.1Very low44.2Very low191 Ų191123.2 Ų123.283%0.8367%0.665SS**  trans-73.6117.8160.2-79.4178.4177.5170.60107.5S330S330-K332 PolarHBondContact O-N 2.74Å
333K37.2Very low46Very low193 Ų193118 Ų11884%0.83963%0.628SS**  trans-42.1132.9171.2-100.1179.5174.91770109.9L331 R335L331-K333 PolarHBondContact O-N 3.17Å; K333-R335 PolarHBondContact O-N 2.8Å
334P40.6Very low47.4Very low124 Ų124110.4 Ų110.481%0.80559%0.588SS**  trans-57.9128174.924.6-31.7000108C336P334-C336 PolarHBondContact O-N 3.29Å
335R50.8Low49Very low164 Ų164104.3 Ų104.362%0.61955%0.553SS**  trans-58.1134.2174.6-70-179.9175.8171.2-1.5107.5K333 R337K333-R335 PolarHBondContact O-N 2.8Å; R335-R337 WeakPolarHBondContact O-CG 3.27Å; R335-R337 PolarHBondContact O-N 2.83Å
336C51.4Low50.4Low126 Ų12695 Ų9585%0.85151%0.511SS*.  trans-59102.2176.4-166.50000108.2P334P334-C336 PolarHBondContact O-N 3.29Å
337R58.2Low52.6Low118 Ų11891.3 Ų91.345%0.44547%0.471SS..  trans-118.8133.3-179.9-72.9173.1175.4174.7-5.7107R335 V339R335-R337 WeakPolarHBondContact O-CG 3.27Å; R335-R337 PolarHBondContact O-N 2.83Å; R337-V339 PolarHBondContact O-N 2.84Å; R337-V339 VanDerWaalsContact O-N 3.07Å
338D61.4Low54.5Low50 Ų5090 Ų9027%0.26745%0.448SS..  trans-70.9103.5172.4-79.4-13.2000108.3R294 E340 Y341R294-D338 IonicContact CZ-OD2 2.9Å; R294-D338 IonicContact NE-OD2 3.02Å; R294-D338 IonicContact NH2-OD2 3.03Å; R294-D338 PolarHBondContact NH2-OD2 3.46Å; D338-E340 PolarHBondContact O-N 3.3Å; D338-E340 VanDerWaalsContact O-N 3.16Å; D338-Y341 WeakPolarHBondContact O-CB 3.28Å; D338-Y341 PolarHBondContact O-N 3.08Å
339V66.3Low56.9Low86 Ų8679.4 Ų79.452%0.52140%0.401SS..THydrogen-bonded Turntrans-57.4-29.3178.1-178.10000111.3F169 R337 Y341F169-V339 WeakPolarHBondContact CD1-O 3.49Å; F169-V339 VanDerWaalsContact CE1-O 3.32Å; F169-V339 WeakPolarHBondContact CE1-O 3.49Å; R337-V339 PolarHBondContact O-N 2.84Å; R337-V339 VanDerWaalsContact O-N 3.07Å; V339-Y341 PolarHBondContact O-N 3.34Å
340E65.4Low58.9Low24 Ų2475 Ų7511%0.11238%0.384CS..THydrogen-bonded Turntrans-81.65.2-179.1-38.3-177.5150.500113.2T87 K88 F169 Y171 D338 G342T87-E340 WeakPolarHBondContact CG2-O 3.34Å; K88-E340 WeakPolarHBondContact CD-OE2 3.32Å; K88-E340 WeakPolarHBondContact CE-OE2 3.28Å; K88-E340 VanDerWaalsContact CG-OE2 3.29Å; K88-E340 WeakPolarHBondContact CG-OE2 3.42Å; K88-E340 IonicContact NZ-OE1 3.86Å; K88-E340 IonicContact NZ-OE2 2.72Å; K88-E340 PolarHBondContact NZ-OE2 3.33Å; F169-E340 VanDerWaalsContact CE1-C 3.44Å; Y171-E340 WeakPolarHBondContact OH-CG 3.41Å; Y171-E340 PolarHBondContact OH-OE1 3.1Å; D338-E340 PolarHBondContact O-N 3.3Å; D338-E340 VanDerWaalsContact O-N 3.16Å; E340-G342 PolarHBondContact O-N 3.02Å
341Y66.9Low60.9Low8 Ų874.3 Ų74.33%0.03137%0.371CS..  trans-79.8119.1-178.6-175.6-104.5000112L285 N286 S287 R294 T312 E314 D338 V339 V343L285-Y341 PolarHBondContact O-OH 3.27Å; N286-Y341 VanDerWaalsContact C-CE2 3.42Å; N286-Y341 WeakPolarHBondContact CA-OH 3.44Å; N286-Y341 PolarHBondContact N-OH 3.08Å; N286-Y341 WeakPolarHBondContact O-CE2 3.36Å; N286-Y341 PolarHBondContact O-OH 3.15Å; S287-Y341 VanDerWaalsContact CB-CD1 3.41Å; S287-Y341 VanDerWaalsContact N-CZ 3.26Å; S287-Y341 PolarHBondContact N-OH 3.45Å; R294-Y341 VanDerWaalsContact NH1-CD2 3.27Å; T312-Y341 WeakPolarHBondContact O-CE1 3.4Å; T312-Y341 PolarHBondContact OG1-OH 3.47Å; E314-Y341 HydrophobicContact CB-CD1 4.4Å; D338-Y341 WeakPolarHBondContact O-CB 3.28Å; D338-Y341 PolarHBondContact O-N 3.08Å; V339-Y341 PolarHBondContact O-N 3.34Å; Y341-V343 HydrophobicContact CE1-CG2 3.62Å; Y341-V343 HydrophobicContact CE2-CG2 3.58Å; Y341-V343 WeakPolarHBondContact OH-CG2 3.5Å
342G65.4Low63.2Low9 Ų966 Ų669%0.09333%0.328CS..  trans-145.9117.4165.100000109.7E340E340-G342 PolarHBondContact O-N 3.02Å
343V67.7Low65.7Low0 Ų058.2 Ų58.20%030%0.297CS..SBendtrans-90.1-35.2178.9-176.90000112.5F261 L285 A311 Y341 R345 I347 F349F261-V343 HydrophobicContact CE1-CG1 4.15Å; L285-V343 HydrophobicContact CD2-CB 4.41Å; L285-V343 HydrophobicContact CD2-CG1 3.64Å; L285-V343 HydrophobicContact CD2-CG2 3.8Å; L285-V343 HydrophobicContact CG-CG1 4.48Å; L285-V343 HydrophobicContact CG-CG2 3.9Å; A311-V343 HydrophobicContact CB-CB 4.29Å; A311-V343 HydrophobicContact CB-CG1 3.55Å; Y341-V343 HydrophobicContact CE1-CG2 3.62Å; Y341-V343 HydrophobicContact CE2-CG2 3.58Å; Y341-V343 WeakPolarHBondContact OH-CG2 3.5Å; V343-R345 PolarHBondContact O-N 2.74Å; V343-I347 HydrophobicContact CB-CD1 4.45Å; V343-I347 HydrophobicContact CG1-CD1 4.41Å; V343-I347 HydrophobicContact CG2-CD1 4.27Å; V343-F349 HydrophobicContact CG1-CE2 3.94Å; V343-F349 HydrophobicContact CG1-CZ 3.7Å
344S58.6Low68.3Low4 Ų449.3 Ų49.33%0.02826%0.259CS..SBendtrans-60.7-20.3174.655.20000112.9D313 L366 H369 R373D313-S344 WeakPolarHBondContact OD1-CB 3.18Å; D313-S344 PolarHBondContact OD1-N 3.4Å; S344-L366 VanDerWaalsContact CB-CD1 3.42Å; S344-L366 WeakPolarHBondContact OG-CD1 3.45Å; S344-H369 WeakPolarHBondContact O-CB 3.25Å; S344-R373 PolarHBondContact O-NE 3.07Å; S344-R373 PolarHBondContact O-NH2 2.82Å
345R66.9Low70.8Confident31 Ų3143.4 Ų43.412%0.11722%0.221CC..SBendtrans-135.9161.6-177.8-66.8-170179.4172.56.7111.8L165 V343 I347 H369L165-R345 HydrophobicContact CD1-CB 3.9Å; L165-R345 HydrophobicContact CD2-CB 3.84Å; L165-R345 HydrophobicContact CD2-CG 4.26Å; L165-R345 HydrophobicContact CG-CB 4.37Å; V343-R345 PolarHBondContact O-N 2.74Å; R345-I347 PolarHBondContact O-N 2.82Å; R345-H369 HydrophobicContact CG-CB 3.97Å; R345-H369 PolarHBondContact NE-CD2 3.39Å; R345-H369 PolarHBondContact NE-CE1 2.95Å; R345-H369 PolarHBondContact NE-ND1 3.02Å; R345-H369 PolarHBondContact NE-NE2 3.39Å; R345-H369 PolarHBondContact NH2-CE1 2.61Å; R345-H369 PolarHBondContact NH2-ND1 2.8Å; R345-H369 VanDerWaalsContact NH2-ND1 3.15Å
346G61.5Low72.9Confident5 Ų535.7 Ų35.75%0.05219%0.192CC..SBendtrans69.3-14.5174.400000118.5
347I74.3Confident74.9Confident6 Ų629.7 Ų29.73%0.03115%0.151CC..  trans-106.9126.7180-56.3180000111.9E89 L285 I298 V343 R345 F349 R373E89-I347 HydrophobicContact CB-CG1 4.34Å; L285-I347 HydrophobicContact CD2-CD1 4.16Å; I298-I347 HydrophobicContact CD1-CD1 4.05Å; I298-I347 HydrophobicContact CD1-CG2 3.6Å; I298-I347 HydrophobicContact CG1-CG2 4.02Å; I298-I347 HydrophobicContact CG2-CG2 4.17Å; V343-I347 HydrophobicContact CB-CD1 4.45Å; V343-I347 HydrophobicContact CG1-CD1 4.41Å; V343-I347 HydrophobicContact CG2-CD1 4.27Å; R345-I347 PolarHBondContact O-N 2.82Å; I347-F349 HydrophobicContact CB-CE2 4.09Å; I347-F349 HydrophobicContact CB-CZ 4.1Å; I347-F349 HydrophobicContact CG2-CD1 4.28Å; I347-F349 HydrophobicContact CG2-CD2 4.38Å; I347-F349 HydrophobicContact CG2-CE1 3.74Å; I347-F349 HydrophobicContact CG2-CE2 3.87Å; I347-F349 HydrophobicContact CG2-CZ 3.52Å; I347-R373 PolarHBondContact O-NH1 3.2Å
348D73.7Confident76.6Confident44 Ų4424 Ų2424%0.23513%0.13CC..  trans-90.4103.3177.1-171.617.4000113.1Q93 N302 R376Q93-D348 PolarHBondContact NE2-OD2 3.03Å; Q93-D348 VanDerWaalsContact OE1-CB 3.28Å; N302-D348 PolarHBondContact ND2-O 3.34Å; D348-R376 IonicContact OD1-CZ 3.83Å; D348-R376 IonicContact OD1-NH1 3.8Å; D348-R376 PolarHBondContact OD1-NH1 3.4Å
349F80.6Confident78.1Confident1 Ų122.1 Ų22.10%0.00412%0.119CC..  trans-91.1119.8172.2-60.6-67.9000110.7L259 L285 I298 F301 L309 V343 I347 V352 R373L259-F349 HydrophobicContact CD1-CZ 4.45Å; L259-F349 HydrophobicContact CD2-CD2 3.81Å; L259-F349 HydrophobicContact CD2-CE2 3.91Å; L259-F349 HydrophobicContact CD2-CG 4.46Å; L285-F349 HydrophobicContact CD2-CE1 4.22Å; L285-F349 HydrophobicContact CD2-CZ 3.89Å; I298-F349 HydrophobicContact CG1-CE1 4.15Å; F301-F349 AromaticContact CD1-CD1 3.98Å; F301-F349 HydrophobicContact CD1-CD1 3.98Å; F301-F349 HydrophobicContact CE1-CB 4.2Å; F301-F349 HydrophobicContact CE1-CD1 4.13Å; F301-F349 HydrophobicContact CE1-CG 4.5Å; L309-F349 HydrophobicContact CD2-CD1 3.84Å; L309-F349 HydrophobicContact CD2-CE1 3.28Å; L309-F349 HydrophobicContact CD2-CZ 3.98Å; V343-F349 HydrophobicContact CG1-CE2 3.94Å; V343-F349 HydrophobicContact CG1-CZ 3.7Å; I347-F349 HydrophobicContact CB-CE2 4.09Å; I347-F349 HydrophobicContact CB-CZ 4.1Å; I347-F349 HydrophobicContact CG2-CD1 4.28Å; I347-F349 HydrophobicContact CG2-CD2 4.38Å; I347-F349 HydrophobicContact CG2-CE1 3.74Å; I347-F349 HydrophobicContact CG2-CE2 3.87Å; I347-F349 HydrophobicContact CG2-CZ 3.52Å; F349-V352 HydrophobicContact CB-CG2 3.37Å; F349-V352 HydrophobicContact CG-CG2 4.39Å; F349-R373 HydrophobicContact CD2-CG 4.36Å
350Q78.1Confident79.3Confident102 Ų10218 Ų1848%0.47710%0.095SC..THydrogen-bonded Turntrans-87.6130.1-176.7-63.4-179.3-3.100111.8K257 N302 V352K257-Q350 PolarHBondContact NZ-O 3.16Å; K257-Q350 VanDerWaalsContact NZ-O 3.17Å; N302-Q350 HydrophobicContact CB-CB 4.33Å; N302-Q350 HydrophobicContact CB-CG 4.5Å; N302-Q350 PolarHBondContact OD1-N 3.47Å; Q350-V352 PolarHBondContact O-N 2.91Å
351L79.9Confident80.4Confident94 Ų9416.9 Ų16.949%0.4929%0.089SC..THydrogen-bonded Turntrans62.534.7173.1-56170.1000114.3S353 Q379L351-S353 PolarHBondContact O-N 2.97Å; L351-Q379 HydrophobicContact CD2-CG 4.41Å
352V86.9Confident81.3Confident7 Ų719.2 Ų19.24%0.04211%0.106CC..  trans-65.7115.6172.6-176.70000109.2L259 F301 F349 Q350 N354 V355 T374L259-V352 HydrophobicContact CB-CG1 4.08Å; F301-V352 HydrophobicContact CE1-CG2 3.92Å; F301-V352 HydrophobicContact CZ-CG2 4.25Å; F349-V352 HydrophobicContact CB-CG2 3.37Å; F349-V352 HydrophobicContact CG-CG2 4.39Å; Q350-V352 PolarHBondContact O-N 2.91Å; V352-N354 VanDerWaalsContact CG1-O 3.3Å; V352-N354 WeakPolarHBondContact CG1-O 3.39Å; V352-V355 HydrophobicContact CG1-CG2 4.03Å; V352-T374 WeakPolarHBondContact O-CB 3.37Å; V352-T374 PolarHBondContact O-OG1 3Å
353S88.3Confident82.2Confident26 Ų2622.2 Ų22.218%0.18212%0.122CC..  trans-86.2-35.2178.6-65.20000112.1K257 L351 T374 G381 T382K257-S353 PolarHBondContact O-N 2.94Å; L351-S353 PolarHBondContact O-N 2.97Å; S353-T374 PolarHBondContact O-OG1 3.22Å; S353-G381 WeakPolarHBondContact O-CA 3.38Å; S353-T382 PolarHBondContact O-N 3.25Å
354N91.9Very high83Confident7 Ų723.7 Ų23.74%0.03713%0.132CC..EExtended strand (participates in β ladder)trans-136.2138.8-174-38.1-66.1000110.5V254 R255 K257 T258 L259 V352 T382V254-N354 HydrophobicContact CG1-CB 3.84Å; V254-N354 WeakPolarHBondContact CG1-ND2 3.46Å; R255-N354 PolarHBondContact O-ND2 3.49Å; K257-N354 PolarHBondContact O-N 2.86Å; K257-N354 VanDerWaalsContact O-N 3.1Å; T258-N354 CarbonylContact C-O 3.6Å; T258-N354 VanDerWaalsContact CA-O 3.28Å; T258-N354 WeakPolarHBondContact CA-O 3.36Å; T258-N354 HydrophobicContact CG2-CB 4.1Å; T258-N354 PolarHBondContact OG1-ND2 2.59Å; T258-N354 VanDerWaalsContact OG1-ND2 3.11Å; L259-N354 PolarHBondContact N-O 2.8Å; V352-N354 VanDerWaalsContact CG1-O 3.3Å; V352-N354 WeakPolarHBondContact CG1-O 3.39Å; N354-T382 CarbonylContact C-O 3.58Å; N354-T382 VanDerWaalsContact CA-O 3.22Å; N354-T382 WeakPolarHBondContact CA-O 3.11Å; N354-T382 PolarHBondContact OD1-OG1 2.71Å
355V92.9Very high84.1Confident0 Ų027.3 Ų27.30%015%0.15CC..EExtended strand (participates in β ladder)trans-115.7127.2169.5173.50000107.7L259 F261 V352 R373 T374 T382 A383 L384L259-V355 HydrophobicContact CB-CG2 4.49Å; L259-V355 CarbonylContact O-C 3.3Å; L259-V355 WeakPolarHBondContact O-CA 3.38Å; F261-V355 HydrophobicContact CD2-CG1 3.88Å; F261-V355 HydrophobicContact CE2-CG1 3.89Å; V352-V355 HydrophobicContact CG1-CG2 4.03Å; V355-R373 HydrophobicContact CG2-CB 4.27Å; V355-T374 HydrophobicContact CB-CG2 4.37Å; V355-T374 HydrophobicContact CG2-CG2 3.77Å; V355-T382 PolarHBondContact N-O 3Å; V355-A383 CarbonylContact O-C 3.57Å; V355-A383 VanDerWaalsContact O-CA 3.32Å; V355-A383 WeakPolarHBondContact O-CA 3.1Å; V355-L384 PolarHBondContact O-N 2.94Å
356I94.4Very high84.8Confident1 Ų126.3 Ų26.31%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-116112.2176.7-57.8-179.1000108.3L245 F249 T258 L259 I260 F261 F358 L384 F386L245-I356 HydrophobicContact CD1-CD1 3.92Å; L245-I356 HydrophobicContact CD1-CG2 4.21Å; F249-I356 HydrophobicContact CE1-CD1 3.85Å; F249-I356 HydrophobicContact CZ-CD1 3.76Å; T258-I356 HydrophobicContact CG2-CD1 3.59Å; T258-I356 HydrophobicContact CG2-CG1 3.8Å; L259-I356 PolarHBondContact O-N 2.7Å; I260-I356 CarbonylContact C-O 3.58Å; I260-I356 VanDerWaalsContact CA-O 3.28Å; I260-I356 WeakPolarHBondContact CA-O 3.45Å; I260-I356 HydrophobicContact CG1-CB 4.3Å; I260-I356 HydrophobicContact CG2-CB 4.28Å; I260-I356 HydrophobicContact CG2-CG2 4.31Å; F261-I356 PolarHBondContact N-O 3.5Å; I356-F358 PolarHBondContact O-N 2.99Å; I356-L384 CarbonylContact C-O 3.47Å; I356-L384 VanDerWaalsContact CA-O 3.3Å; I356-L384 WeakPolarHBondContact CA-O 3.5Å; I356-L384 HydrophobicContact CG1-CB 4.28Å; I356-F386 HydrophobicContact CG2-CD2 4.21Å; I356-F386 HydrophobicContact CG2-CE2 3.83Å
357N94.2Very high86Confident0 Ų026 Ų260%014%0.144CC..EExtended strand (participates in β ladder)trans-83.294168.8-60.4-39.7000107.5R370 L384 S385 F386N357-R370 WeakPolarHBondContact OD1-CD 3.44Å; N357-L384 PolarHBondContact N-O 3.26Å; N357-S385 PolarHBondContact ND2-OG 3.49Å; N357-F386 PolarHBondContact O-N 3.37Å
358F93.9Very high86.4Confident0 Ų026.3 Ų26.30%015%0.146CC..SBendtrans-67.1-42.7176.9-172.8-99.3000110.9K241 Y242 L245 I260 F261 T262 L271 I356 F386K241-F358 HydrophobicContact CB-CD2 4.5Å; K241-F358 HydrophobicContact CB-CE2 3.72Å; K241-F358 HydrophobicContact CB-CZ 3.89Å; K241-F358 PolarHBondContact NZ-O 3.48Å; Y242-F358 HydrophobicContact CD1-CE2 4.39Å; Y242-F358 AromaticContact CD1-CZ 3.91Å; Y242-F358 HydrophobicContact CD1-CZ 3.91Å; Y242-F358 HydrophobicContact CD2-CZ 4.06Å; Y242-F358 HydrophobicContact CE1-CE1 4.27Å; Y242-F358 HydrophobicContact CE1-CE2 4.49Å; Y242-F358 AromaticContact CE1-CZ 3.68Å; Y242-F358 HydrophobicContact CE1-CZ 3.68Å; Y242-F358 HydrophobicContact CE2-CE1 4.33Å; Y242-F358 AromaticContact CE2-CZ 3.81Å; Y242-F358 HydrophobicContact CE2-CZ 3.81Å; Y242-F358 HydrophobicContact CG-CZ 4.1Å; Y242-F358 AromaticContact CZ-CE1 3.96Å; Y242-F358 AromaticContact CZ-CZ 3.63Å; L245-F358 HydrophobicContact CD2-CD2 4.21Å; L245-F358 HydrophobicContact CD2-CE2 4.24Å; I260-F358 HydrophobicContact CG2-CB 3.9Å; F261-F358 WeakPolarHBondContact O-CB 3.41Å; F261-F358 PolarHBondContact O-N 2.78Å; T262-F358 HydrophobicContact CG2-CB 4.23Å; T262-F358 HydrophobicContact CG2-CD1 4.22Å; L271-F358 HydrophobicContact CD1-CE2 4.4Å; L271-F358 HydrophobicContact CD2-CD1 4.44Å; L271-F358 HydrophobicContact CD2-CD2 4.39Å; L271-F358 HydrophobicContact CD2-CG 4.2Å; I356-F358 PolarHBondContact O-N 2.99Å; F358-F386 HydrophobicContact CD2-CD2 4.33Å; F358-F386 HydrophobicContact CD2-CE2 4.34Å
359D92Very high86.7Confident9 Ų925.1 Ų25.15%0.04814%0.139CC..SBendtrans-107.2135.5167.2-57.3-33.4000108.8F261 T262 N263 R267 R370F261-D359 PolarHBondContact O-N 3.24Å; T262-D359 WeakPolarHBondContact CA-OD2 3.22Å; N263-D359 HydrophobicContact CB-CB 4.09Å; N263-D359 PolarHBondContact N-OD2 3.29Å; N263-D359 WeakPolarHBondContact ND2-CB 3.37Å; R267-D359 VanDerWaalsContact CD-OD2 3.25Å; R267-D359 WeakPolarHBondContact CD-OD2 2.95Å; R267-D359 IonicContact CZ-OD1 3.49Å; R267-D359 VanDerWaalsContact NE-CG 3.34Å; R267-D359 IonicContact NE-OD1 3.77Å; R267-D359 PolarHBondContact NE-OD1 3.41Å; R267-D359 IonicContact NE-OD2 2.71Å; R267-D359 PolarHBondContact NE-OD2 3.15Å; R267-D359 IonicContact NH2-OD1 3.8Å; R267-D359 PolarHBondContact NH2-OD1 3.22Å; D359-R370 PolarHBondContact O-NH1 2.99Å
360F91Very high87Confident0 Ų025.1 Ų25.10%014%0.139CC..  trans-68.9135.9179.2-159.8-99.6000109.1N263 Y367 V387 E391 R394 L395 V398N263-F360 PolarHBondContact ND2-O 3.28Å; F360-Y367 HydrophobicContact CE2-CD2 4Å; F360-Y367 AromaticContact CE2-CE2 3.92Å; F360-Y367 HydrophobicContact CE2-CE2 3.92Å; F360-Y367 HydrophobicContact CZ-CD2 4.02Å; F360-Y367 HydrophobicContact CZ-CE2 4.26Å; F360-V387 HydrophobicContact CD2-CG2 3.65Å; F360-V387 HydrophobicContact CE2-CG2 3.84Å; F360-V387 HydrophobicContact CG-CG2 4.43Å; F360-E391 HydrophobicContact CB-CB 4.07Å; F360-E391 VanDerWaalsContact CB-CD 3.48Å; F360-E391 HydrophobicContact CB-CG 4.07Å; F360-E391 WeakPolarHBondContact CB-OE1 3.26Å; F360-E391 HydrophobicContact CG-CB 4.45Å; F360-E391 PolarHBondContact N-OE1 3.45Å; F360-R394 HydrophobicContact CD1-CB 3.78Å; F360-R394 HydrophobicContact CE1-CB 3.69Å; F360-L395 HydrophobicContact CE2-CD1 4.23Å; F360-L395 HydrophobicContact CZ-CB 4.14Å; F360-L395 HydrophobicContact CZ-CD1 3.98Å; F360-V398 HydrophobicContact CE1-CG2 4Å; F360-V398 HydrophobicContact CZ-CG2 3.85Å
361P89.3Confident87.4Confident0 Ų020.2 Ų20.20%012%0.116CC..  trans-61.6144.4-179.823.5-32.5000111.1T363 L366 Y367P361-T363 VanDerWaalsContact C-N 3.31Å; P361-T363 PolarHBondContact O-N 3.47Å; P361-L366 HydrophobicContact CB-CB 4.12Å; P361-L366 HydrophobicContact CB-CD2 3.9Å; P361-L366 HydrophobicContact CB-CG 4.09Å; P361-Y367 HydrophobicContact CG-CD2 3.68Å; P361-Y367 HydrophobicContact CG-CG 4.12Å
362P85.6Confident87.4Confident58 Ų5816.6 Ų16.638%0.37710%0.102SC..SBendtrans-66.2-28.7176.923.9-36.3000114.2L366P362-L366 HydrophobicContact CG-CD2 4.1Å
363T84.6Confident87.1Confident71 Ų7116.5 Ų16.544%0.43610%0.1SC..SBendtrans-124.9147.5-177.963.60000111.5P361 I365 L366 Y367P361-T363 VanDerWaalsContact C-N 3.31Å; P361-T363 PolarHBondContact O-N 3.47Å; T363-I365 VanDerWaalsContact C-N 3.28Å; T363-I365 PolarHBondContact O-N 2.81Å; T363-L366 WeakPolarHBondContact O-CB 3.05Å; T363-L366 PolarHBondContact O-N 2.86Å; T363-L366 VanDerWaalsContact O-N 3.16Å; T363-L366 VanDerWaalsContact OG1-CB 3.26Å; T363-L366 WeakPolarHBondContact OG1-CB 3.47Å; T363-L366 PolarHBondContact OG1-N 2.81Å; T363-Y367 PolarHBondContact O-N 3.38Å
364P84.4Confident87Confident32 Ų3215.4 Ų15.421%0.2089%0.093CC..Hα-helixtrans-69.4-30.5-177.928.5-36000112.5L366 Y367 V368 D397 V398 L401P364-L366 VanDerWaalsContact C-N 3.32Å; P364-L366 PolarHBondContact O-N 2.8Å; P364-Y367 VanDerWaalsContact O-CB 3.26Å; P364-Y367 WeakPolarHBondContact O-CB 3.28Å; P364-Y367 PolarHBondContact O-N 2.86Å; P364-V368 PolarHBondContact O-N 2.78Å; P364-D397 HydrophobicContact CG-CB 4.43Å; P364-V398 HydrophobicContact CB-CB 4.3Å; P364-V398 HydrophobicContact CB-CG2 3.67Å; P364-L401 HydrophobicContact CB-CB 4.36Å; P364-L401 HydrophobicContact CB-CD1 4.01Å; P364-L401 HydrophobicContact CG-CD1 4.07Å
365I80.5Confident86.3Confident80 Ų8015.2 Ų15.241%0.419%0.092SC..Hα-helixtrans-60.2-45.3172.5-61.9173.8000109.9T363 Y367 V368 H369 L401T363-I365 VanDerWaalsContact C-N 3.28Å; T363-I365 PolarHBondContact O-N 2.81Å; I365-Y367 VanDerWaalsContact C-N 3.29Å; I365-Y367 PolarHBondContact O-N 3.17Å; I365-V368 PolarHBondContact O-N 2.88Å; I365-H369 WeakPolarHBondContact CG2-CE1 3.24Å; I365-H369 PolarHBondContact O-CE1 3.39Å; I365-H369 PolarHBondContact O-N 3.01Å; I365-H369 PolarHBondContact O-ND1 3.23Å; I365-L401 HydrophobicContact CG1-CD1 4.23Å
366L82.4Confident85.3Confident9 Ų917 Ų175%0.04710%0.099CC..Hα-helixtrans-64.2-35.6178.7-173.669.7000111.9D313 S344 P361 P362 T363 P364 V368 H369 R370D313-L366 HydrophobicContact CB-CD2 4.31Å; D313-L366 WeakPolarHBondContact OD2-CD2 3.46Å; S344-L366 VanDerWaalsContact CB-CD1 3.42Å; S344-L366 WeakPolarHBondContact OG-CD1 3.45Å; P361-L366 HydrophobicContact CB-CB 4.12Å; P361-L366 HydrophobicContact CB-CD2 3.9Å; P361-L366 HydrophobicContact CB-CG 4.09Å; P362-L366 HydrophobicContact CG-CD2 4.1Å; T363-L366 WeakPolarHBondContact O-CB 3.05Å; T363-L366 PolarHBondContact O-N 2.86Å; T363-L366 VanDerWaalsContact O-N 3.16Å; T363-L366 VanDerWaalsContact OG1-CB 3.26Å; T363-L366 WeakPolarHBondContact OG1-CB 3.47Å; T363-L366 PolarHBondContact OG1-N 2.81Å; P364-L366 VanDerWaalsContact C-N 3.32Å; P364-L366 PolarHBondContact O-N 2.8Å; L366-V368 PolarHBondContact O-N 2.93Å; L366-H369 PolarHBondContact O-N 2.77Å; L366-R370 WeakPolarHBondContact O-CG 3.48Å; L366-R370 PolarHBondContact O-N 3.4Å
367Y87.3Confident84Confident0 Ų020.2 Ų20.20%013%0.126CC..Hα-helixtrans-54.2-51.9172.2-177.2-88000112Q231 F360 P361 T363 P364 I365 H369 R370 V371 S385 V398 L402 F427Q231-Y367 PolarHBondContact OE1-OH 3.07Å; F360-Y367 HydrophobicContact CE2-CD2 4Å; F360-Y367 AromaticContact CE2-CE2 3.92Å; F360-Y367 HydrophobicContact CE2-CE2 3.92Å; F360-Y367 HydrophobicContact CZ-CD2 4.02Å; F360-Y367 HydrophobicContact CZ-CE2 4.26Å; P361-Y367 HydrophobicContact CG-CD2 3.68Å; P361-Y367 HydrophobicContact CG-CG 4.12Å; T363-Y367 PolarHBondContact O-N 3.38Å; P364-Y367 VanDerWaalsContact O-CB 3.26Å; P364-Y367 WeakPolarHBondContact O-CB 3.28Å; P364-Y367 PolarHBondContact O-N 2.86Å; I365-Y367 VanDerWaalsContact C-N 3.29Å; I365-Y367 PolarHBondContact O-N 3.17Å; Y367-H369 VanDerWaalsContact C-N 3.25Å; Y367-H369 PolarHBondContact O-N 3.32Å; Y367-R370 PolarHBondContact O-N 2.88Å; Y367-V371 HydrophobicContact CD1-CG2 4.13Å; Y367-V371 HydrophobicContact CE1-CB 4.43Å; Y367-V371 HydrophobicContact CE1-CG2 3.68Å; Y367-V371 HydrophobicContact CE2-CG2 4.23Å; Y367-V371 WeakPolarHBondContact O-CG2 3.42Å; Y367-V371 PolarHBondContact O-N 3.47Å; Y367-S385 WeakPolarHBondContact CE2-OG 3.23Å; Y367-S385 PolarHBondContact OH-OG 3.11Å; Y367-V398 HydrophobicContact CD1-CG1 3.45Å; Y367-V398 VanDerWaalsContact CD1-CG1 3.45Å; Y367-V398 HydrophobicContact CD2-CG1 4.32Å; Y367-V398 HydrophobicContact CD2-CG2 4.39Å; Y367-V398 HydrophobicContact CE1-CG1 3.83Å; Y367-V398 HydrophobicContact CG-CG1 3.76Å; Y367-V398 HydrophobicContact CG-CG2 4.06Å; Y367-L402 HydrophobicContact CE1-CD1 4.31Å; Y367-F427 HydrophobicContact CE1-CE1 4.18Å; Y367-F427 HydrophobicContact CE1-CZ 4.38Å; Y367-F427 AromaticContact CZ-CE1 3.89Å; Y367-F427 WeakPolarHBondContact OH-CE1 3.16Å
368V83Confident82.9Confident11 Ų1126.5 Ų26.57%0.06716%0.159CC..Hα-helixtrans-58-41.2179.1174.20000110.9F222 L223 P364 I365 L366 V371 G372 L401 L402F222-V368 HydrophobicContact CB-CG1 3.98Å; L223-V368 HydrophobicContact CD2-CG1 3.96Å; L223-V368 HydrophobicContact CG-CG1 4.3Å; P364-V368 PolarHBondContact O-N 2.78Å; I365-V368 PolarHBondContact O-N 2.88Å; L366-V368 PolarHBondContact O-N 2.93Å; V368-V371 PolarHBondContact O-N 3.03Å; V368-G372 PolarHBondContact O-N 3.19Å; V368-L401 HydrophobicContact CG2-CD2 3.86Å; V368-L402 HydrophobicContact CG2-CD2 3.98Å
369H79.9Confident82Confident20 Ų2030.3 Ų30.39%0.09318%0.177CC..Hα-helixtrans-67.8-37.5178.5-70104.5000114.3S344 R345 I365 L366 Y367 R373S344-H369 WeakPolarHBondContact O-CB 3.25Å; R345-H369 HydrophobicContact CG-CB 3.97Å; R345-H369 PolarHBondContact NE-CD2 3.39Å; R345-H369 PolarHBondContact NE-CE1 2.95Å; R345-H369 PolarHBondContact NE-ND1 3.02Å; R345-H369 PolarHBondContact NE-NE2 3.39Å; R345-H369 PolarHBondContact NH2-CE1 2.61Å; R345-H369 PolarHBondContact NH2-ND1 2.8Å; R345-H369 VanDerWaalsContact NH2-ND1 3.15Å; I365-H369 WeakPolarHBondContact CG2-CE1 3.24Å; I365-H369 PolarHBondContact O-CE1 3.39Å; I365-H369 PolarHBondContact O-N 3.01Å; I365-H369 PolarHBondContact O-ND1 3.23Å; L366-H369 PolarHBondContact O-N 2.77Å; Y367-H369 VanDerWaalsContact C-N 3.25Å; Y367-H369 PolarHBondContact O-N 3.32Å; H369-R373 PolarHBondContact O-NE 3.44Å
370R86.6Confident81.6Confident0 Ų035.9 Ų35.90%020%0.204CC..Hα-helixtrans-65.2-50.4174.5-71.3-177.6-175.8-173.8-2.1110.7F261 N263 D313 N357 D359 L366 Y367 G372 R373F261-R370 HydrophobicContact CD1-CG 4.14Å; F261-R370 HydrophobicContact CD2-CB 3.84Å; F261-R370 HydrophobicContact CD2-CG 3.75Å; F261-R370 HydrophobicContact CE1-CG 4.2Å; F261-R370 HydrophobicContact CE2-CB 3.69Å; F261-R370 HydrophobicContact CE2-CG 3.8Å; F261-R370 HydrophobicContact CG-CG 3.91Å; F261-R370 HydrophobicContact CZ-CB 4.26Å; F261-R370 HydrophobicContact CZ-CG 4.03Å; N263-R370 PolarHBondContact OD1-NH2 2.94Å; D313-R370 IonicContact OD2-CZ 3.29Å; D313-R370 IonicContact OD2-NE 3.73Å; D313-R370 PolarHBondContact OD2-NE 3.13Å; D313-R370 IonicContact OD2-NH2 2.79Å; D313-R370 PolarHBondContact OD2-NH2 3.47Å; N357-R370 WeakPolarHBondContact OD1-CD 3.44Å; D359-R370 PolarHBondContact O-NH1 2.99Å; L366-R370 WeakPolarHBondContact O-CG 3.48Å; L366-R370 PolarHBondContact O-N 3.4Å; Y367-R370 PolarHBondContact O-N 2.88Å; R370-G372 VanDerWaalsContact C-N 3.33Å; R370-G372 PolarHBondContact O-N 3.03Å; R370-R373 VanDerWaalsContact O-CB 3.29Å; R370-R373 WeakPolarHBondContact O-CB 3.49Å; R370-R373 VanDerWaalsContact O-CG 3.28Å; R370-R373 WeakPolarHBondContact O-CG 3.44Å; R370-R373 PolarHBondContact O-N 3.11Å; R370-R373 VanDerWaalsContact O-N 3.16Å
371V86.3Confident81.4Confident0 Ų035.9 Ų35.90%021%0.205CC..Hα-helixtrans-68.9-33.9-176.81750000111.4L223 L229 Y367 V368 R373 T374 A383L223-V371 HydrophobicContact CD2-CB 4.3Å; L223-V371 HydrophobicContact CD2-CG1 4.06Å; L229-V371 HydrophobicContact CD1-CG1 3.76Å; L229-V371 HydrophobicContact CD2-CG1 3.38Å; L229-V371 HydrophobicContact CG-CG1 4.12Å; Y367-V371 HydrophobicContact CD1-CG2 4.13Å; Y367-V371 HydrophobicContact CE1-CB 4.43Å; Y367-V371 HydrophobicContact CE1-CG2 3.68Å; Y367-V371 HydrophobicContact CE2-CG2 4.23Å; Y367-V371 WeakPolarHBondContact O-CG2 3.42Å; Y367-V371 PolarHBondContact O-N 3.47Å; V368-V371 PolarHBondContact O-N 3.03Å; V371-R373 PolarHBondContact O-N 3.23Å; V371-T374 VanDerWaalsContact O-CG2 3.29Å; V371-T374 WeakPolarHBondContact O-CG2 3.42Å; V371-T374 PolarHBondContact O-N 3.11Å; V371-T374 VanDerWaalsContact O-N 3.08Å; V371-A383 HydrophobicContact CB-CB 4.38Å; V371-A383 HydrophobicContact CG1-CB 3.72Å; V371-A383 HydrophobicContact CG2-CB 3.85Å
372G79.8Confident81.4Confident18 Ų1837.3 Ų37.319%0.18621%0.213CC..THydrogen-bonded Turntrans-65.5-1.5172.100000115.5V368 R370 T374 R376V368-G372 PolarHBondContact O-N 3.19Å; R370-G372 VanDerWaalsContact C-N 3.33Å; R370-G372 PolarHBondContact O-N 3.03Å; G372-T374 VanDerWaalsContact C-N 3.31Å; G372-R376 PolarHBondContact O-NE 3.46Å
373R81.7Confident81.7Confident4 Ų434.6 Ų34.62%0.01520%0.196CC..THydrogen-bonded Turntrans-75.5-20.5168.7-58.1-67.4136.2-166-9.5112.4L259 F261 S344 I347 F349 V355 H369 R370 V371L259-R373 HydrophobicContact CD2-CB 3.94Å; L259-R373 HydrophobicContact CD2-CG 4.01Å; F261-R373 HydrophobicContact CZ-CG 4.19Å; S344-R373 PolarHBondContact O-NE 3.07Å; S344-R373 PolarHBondContact O-NH2 2.82Å; I347-R373 PolarHBondContact O-NH1 3.2Å; F349-R373 HydrophobicContact CD2-CG 4.36Å; V355-R373 HydrophobicContact CG2-CB 4.27Å; H369-R373 PolarHBondContact O-NE 3.44Å; R370-R373 VanDerWaalsContact O-CB 3.29Å; R370-R373 WeakPolarHBondContact O-CB 3.49Å; R370-R373 VanDerWaalsContact O-CG 3.28Å; R370-R373 WeakPolarHBondContact O-CG 3.44Å; R370-R373 PolarHBondContact O-N 3.11Å; R370-R373 VanDerWaalsContact O-N 3.16Å; V371-R373 PolarHBondContact O-N 3.23Å
374T84.3Confident82Confident3 Ų332 Ų322%0.01818%0.179CC..SBendtrans-106.7178.2172.1-167.10000111.2L229 V352 S353 V355 V371 G372 R376 G381L229-T374 HydrophobicContact CD1-CG2 3.75Å; V352-T374 WeakPolarHBondContact O-CB 3.37Å; V352-T374 PolarHBondContact O-OG1 3Å; S353-T374 PolarHBondContact O-OG1 3.22Å; V355-T374 HydrophobicContact CB-CG2 4.37Å; V355-T374 HydrophobicContact CG2-CG2 3.77Å; V371-T374 VanDerWaalsContact O-CG2 3.29Å; V371-T374 WeakPolarHBondContact O-CG2 3.42Å; V371-T374 PolarHBondContact O-N 3.11Å; V371-T374 VanDerWaalsContact O-N 3.08Å; G372-T374 VanDerWaalsContact C-N 3.31Å; T374-R376 VanDerWaalsContact C-N 3.32Å; T374-R376 PolarHBondContact O-N 3.02Å; T374-G381 WeakPolarHBondContact OG1-CA 3.44Å
375A78Confident82.5Confident3 Ų330.5 Ų30.53%0.02517%0.169CC..SBendtrans54.740-179.600000114.9P224 Q228 L229 Q379P224-A375 HydrophobicContact CB-CB 4.32Å; P224-A375 HydrophobicContact CG-CB 3.56Å; Q228-A375 HydrophobicContact CB-CB 4.43Å; L229-A375 HydrophobicContact CB-CB 3.96Å; L229-A375 HydrophobicContact CD1-CB 4.27Å; A375-Q379 VanDerWaalsContact CA-O 3.25Å; A375-Q379 WeakPolarHBondContact CA-O 3.49Å
376R72.7Confident83Confident38 Ų3826.7 Ų26.714%0.14315%0.15CC..  trans-83.8141176.4-64.7-178.8176.9-171.3-5.8111.3T51 D348 G372 T374 D378 Q379T51-R376 PolarHBondContact OG1-NH2 2.85Å; D348-R376 IonicContact OD1-CZ 3.83Å; D348-R376 IonicContact OD1-NH1 3.8Å; D348-R376 PolarHBondContact OD1-NH1 3.4Å; G372-R376 PolarHBondContact O-NE 3.46Å; T374-R376 VanDerWaalsContact C-N 3.32Å; T374-R376 PolarHBondContact O-N 3.02Å; R376-D378 PolarHBondContact O-N 3.33Å; R376-Q379 PolarHBondContact O-N 2.85Å; R376-Q379 VanDerWaalsContact O-N 3.14Å
377A67.5Low83.4Confident69 Ų6926.3 Ų26.357%0.5715%0.148SC*.THydrogen-bonded Turntrans53-114-176.200000112.2Q228Q228-A377 PolarHBondContact NE2-O 3.44Å; Q228-A377 VanDerWaalsContact NE2-O 3.16Å
378D69.7Low83.5Confident131 Ų13127.3 Ų27.370%0.70116%0.155SC*.THydrogen-bonded Turntrans-100.37.9-178.4-60.1-35000114R376R376-D378 PolarHBondContact O-N 3.33Å
379Q75.1Confident83.7Confident81 Ų8133.8 Ų33.838%0.37918%0.182SC..  trans-85137.9-176.8-61.6-58-42.200111.1L351 A375 R376L351-Q379 HydrophobicContact CD2-CG 4.41Å; A375-Q379 VanDerWaalsContact CA-O 3.25Å; A375-Q379 WeakPolarHBondContact CA-O 3.49Å; R376-Q379 PolarHBondContact O-N 2.85Å; R376-Q379 VanDerWaalsContact O-N 3.14Å
380M83.7Confident84Confident125 Ų12540.3 Ų40.362%0.61622%0.217SC*.  trans-80.3128.4169.7-69.7175.9170.300110.3Q228Q228-M380 CarbonylContact O-C 3.57Å; Q228-M380 VanDerWaalsContact O-CA 3.3Å; Q228-M380 WeakPolarHBondContact O-CA 3.28Å
381G86.3Confident84.1Confident1 Ų141.2 Ų41.21%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-11015017700000112.7Q228 T230 S353 T374Q228-G381 PolarHBondContact O-N 2.91Å; T230-G381 PolarHBondContact N-O 3.25Å; T230-G381 PolarHBondContact OG1-O 3.4Å; S353-G381 WeakPolarHBondContact O-CA 3.38Å; T374-G381 WeakPolarHBondContact OG1-CA 3.44Å
382T89.6Confident84Confident30 Ų3046.2 Ų46.218%0.18425%0.245CC..EExtended strand (participates in β ladder)trans-120.1134.2166.474.30000109.4T230 S353 N354 V355T230-T382 CarbonylContact O-C 3.55Å; T230-T382 WeakPolarHBondContact O-CA 3.34Å; T230-T382 WeakPolarHBondContact OG1-CG2 3.34Å; S353-T382 PolarHBondContact O-N 3.25Å; N354-T382 CarbonylContact C-O 3.58Å; N354-T382 VanDerWaalsContact CA-O 3.22Å; N354-T382 WeakPolarHBondContact CA-O 3.11Å; N354-T382 PolarHBondContact OD1-OG1 2.71Å; V355-T382 PolarHBondContact N-O 3Å
383A91.5Very high84.3Confident0 Ų049.1 Ų49.10%026%0.262CS..EExtended strand (participates in β ladder)trans-115.1128172.200000108.8L229 T230 Q231 Y232 V355 V371L229-A383 HydrophobicContact CD1-CB 4.2Å; T230-A383 PolarHBondContact O-N 3.45Å; Q231-A383 CarbonylContact C-O 3.5Å; Q231-A383 WeakPolarHBondContact CA-O 3.48Å; Q231-A383 HydrophobicContact CG-CB 4.35Å; Y232-A383 PolarHBondContact N-O 3.31Å; V355-A383 CarbonylContact O-C 3.57Å; V355-A383 VanDerWaalsContact O-CA 3.32Å; V355-A383 WeakPolarHBondContact O-CA 3.1Å; V371-A383 HydrophobicContact CB-CB 4.38Å; V371-A383 HydrophobicContact CG1-CB 3.72Å; V371-A383 HydrophobicContact CG2-CB 3.85Å
384L92.4Very high84.6Confident17 Ų1753.3 Ų53.39%0.08928%0.278CS..EExtended strand (participates in β ladder)trans-118.2124.1176.3-175.869.6000108.6Y232 I234 L248 V355 I356 N357 F386Y232-L384 WeakPolarHBondContact O-CA 3.28Å; I234-L384 HydrophobicContact CD1-CD1 3.66Å; I234-L384 HydrophobicContact CD1-CD2 4.1Å; I234-L384 HydrophobicContact CD1-CG 4.24Å; I234-L384 HydrophobicContact CG1-CD1 3.86Å; L248-L384 HydrophobicContact CD1-CD2 3.37Å; V355-L384 PolarHBondContact O-N 2.94Å; I356-L384 CarbonylContact C-O 3.47Å; I356-L384 VanDerWaalsContact CA-O 3.3Å; I356-L384 WeakPolarHBondContact CA-O 3.5Å; I356-L384 HydrophobicContact CG1-CB 4.28Å; N357-L384 PolarHBondContact N-O 3.26Å; L384-F386 HydrophobicContact CD2-CE2 4.38Å; L384-F386 HydrophobicContact CD2-CZ 4.3Å
385S93.3Very high84.7Confident0 Ų054.6 Ų54.60%028%0.284CS..EExtended strand (participates in β ladder)trans-120.5124.6179.7-56.80000110.9Y232 I233 I234 N357 Y367Y232-S385 PolarHBondContact O-N 3.11Å; I233-S385 WeakPolarHBondContact CA-O 3.43Å; I234-S385 PolarHBondContact N-O 3.19Å; N357-S385 PolarHBondContact ND2-OG 3.49Å; Y367-S385 WeakPolarHBondContact CE2-OG 3.23Å; Y367-S385 PolarHBondContact OH-OG 3.11Å
386F92.9Very high85.1Confident0 Ų057 Ų570%030%0.304CS..EExtended strand (participates in β ladder)trans-84.7129.6169.1-68-75.9000109.5I234 A236 K241 I244 L245 L248 I356 N357 F358 L384I234-F386 HydrophobicContact CB-CD1 3.93Å; I234-F386 HydrophobicContact CB-CE1 4.15Å; I234-F386 HydrophobicContact CD1-CE1 3.96Å; I234-F386 HydrophobicContact CG2-CD1 3.98Å; I234-F386 HydrophobicContact CG2-CE1 4.03Å; I234-F386 WeakPolarHBondContact O-CA 3.1Å; A236-F386 HydrophobicContact CB-CD1 4.09Å; K241-F386 HydrophobicContact CB-CD1 4.4Å; K241-F386 HydrophobicContact CB-CG 4.49Å; K241-F386 HydrophobicContact CD-CB 3.88Å; K241-F386 HydrophobicContact CD-CG 4.33Å; K241-F386 HydrophobicContact CG-CB 3.99Å; K241-F386 HydrophobicContact CG-CD1 3.96Å; K241-F386 HydrophobicContact CG-CG 3.99Å; I244-F386 HydrophobicContact CB-CE1 3.92Å; I244-F386 HydrophobicContact CB-CZ 4.19Å; I244-F386 HydrophobicContact CD1-CE1 4.16Å; I244-F386 HydrophobicContact CG2-CE1 3.69Å; I244-F386 HydrophobicContact CG2-CZ 3.89Å; L245-F386 HydrophobicContact CD1-CE2 4.47Å; L248-F386 HydrophobicContact CD1-CZ 4.47Å; I356-F386 HydrophobicContact CG2-CD2 4.21Å; I356-F386 HydrophobicContact CG2-CE2 3.83Å; N357-F386 PolarHBondContact O-N 3.37Å; F358-F386 HydrophobicContact CD2-CD2 4.33Å; F358-F386 HydrophobicContact CD2-CE2 4.34Å; L384-F386 HydrophobicContact CD2-CE2 4.38Å; L384-F386 HydrophobicContact CD2-CZ 4.3Å
387V90.9Very high85.7Confident2 Ų259.5 Ų59.51%0.01232%0.32CS..EExtended strand (participates in β ladder)trans-122.8121.7-179.9-1790000107.7I233 I234 S235 A236 F360 E391 E392 L395I233-V387 HydrophobicContact CG2-CB 4.35Å; I233-V387 HydrophobicContact CG2-CG2 3.8Å; I234-V387 PolarHBondContact O-N 3.22Å; S235-V387 CarbonylContact C-O 3.49Å; S235-V387 VanDerWaalsContact CA-O 3.28Å; S235-V387 WeakPolarHBondContact CA-O 3.47Å; A236-V387 PolarHBondContact N-O 3.46Å; F360-V387 HydrophobicContact CD2-CG2 3.65Å; F360-V387 HydrophobicContact CE2-CG2 3.84Å; F360-V387 HydrophobicContact CG-CG2 4.43Å; V387-E391 HydrophobicContact CG1-CB 4.1Å; V387-E392 HydrophobicContact CG1-CG 4.2Å; V387-L395 HydrophobicContact CG1-CB 4.48Å; V387-L395 HydrophobicContact CG1-CD2 4.45Å; V387-L395 HydrophobicContact CG2-CD2 4.36Å
388S88.8Confident86.6Confident21 Ų2156.3 Ų56.315%0.14729%0.293CS..  trans-85163.7167.565.20000110.5L390 E391 E392S388-L390 PolarHBondContact O-N 3.47Å; S388-L390 VanDerWaalsContact O-N 3.12Å; S388-E391 WeakPolarHBondContact CB-OE2 3.41Å; S388-E391 PolarHBondContact N-OE2 3.45Å; S388-E391 PolarHBondContact O-N 3.31Å; S388-E391 VanDerWaalsContact OG-CG 3.32Å; S388-E391 WeakPolarHBondContact OG-CG 3.32Å; S388-E391 PolarHBondContact OG-OE2 2.88Å; S388-E392 PolarHBondContact O-N 2.95Å
389K86.7Confident87.2Confident146 Ų14651.9 Ų51.964%0.63527%0.268SS*.G310 helixtrans-53.1-34.6176.9-67.1171.3179.8153.90113E237 E391E237-K389 IonicContact OE1-NZ 3.48Å; E237-K389 PolarHBondContact OE1-NZ 3.42Å; K389-E391 VanDerWaalsContact C-N 3.28Å; K389-E391 PolarHBondContact O-N 3.02Å
390L87Confident87.5Confident157 Ų15750 Ų5082%0.82227%0.267SS*.G310 helixtrans-74.2-17.9179.1-60.9176.5000113.2S388S388-L390 PolarHBondContact O-N 3.47Å; S388-L390 VanDerWaalsContact O-N 3.12Å
391E87.2Confident87.3Confident19 Ų1947 Ų479%0.08925%0.253CS..G310 helixtrans-100.1-0.1-176.5-66.5165.314000112.3K241 F360 V387 S388 K389 S393 R394 L395K241-E391 IonicContact NZ-OE2 2.9Å; K241-E391 PolarHBondContact NZ-OE2 3.12Å; F360-E391 HydrophobicContact CB-CB 4.07Å; F360-E391 VanDerWaalsContact CB-CD 3.48Å; F360-E391 HydrophobicContact CB-CG 4.07Å; F360-E391 WeakPolarHBondContact CB-OE1 3.26Å; F360-E391 HydrophobicContact CG-CB 4.45Å; F360-E391 PolarHBondContact N-OE1 3.45Å; V387-E391 HydrophobicContact CG1-CB 4.1Å; S388-E391 WeakPolarHBondContact CB-OE2 3.41Å; S388-E391 PolarHBondContact N-OE2 3.45Å; S388-E391 PolarHBondContact O-N 3.31Å; S388-E391 VanDerWaalsContact OG-CG 3.32Å; S388-E391 WeakPolarHBondContact OG-CG 3.32Å; S388-E391 PolarHBondContact OG-OE2 2.88Å; K389-E391 VanDerWaalsContact C-N 3.28Å; K389-E391 PolarHBondContact O-N 3.02Å; E391-S393 VanDerWaalsContact C-N 3.28Å; E391-S393 PolarHBondContact O-N 2.96Å; E391-R394 WeakPolarHBondContact O-CB 3.49Å; E391-R394 PolarHBondContact O-N 3.49Å; E391-R394 VanDerWaalsContact O-N 3.15Å; E391-L395 PolarHBondContact O-N 2.91Å; E391-L395 VanDerWaalsContact O-N 3.08Å
392E84.7Confident86.9Confident106 Ų10648.4 Ų48.450%0.49526%0.26SS..Hα-helixtrans-61.8-33.7-179.6-71.6-179.7-172.500112.9V387 S388 L395 A396V387-E392 HydrophobicContact CG1-CG 4.2Å; S388-E392 PolarHBondContact O-N 2.95Å; E392-L395 WeakPolarHBondContact O-CB 3.46Å; E392-L395 PolarHBondContact O-N 2.66Å; E392-A396 PolarHBondContact O-N 3.34Å; E392-A396 VanDerWaalsContact O-N 3.1Å
393S87.2Confident86.2Confident78 Ų7849.2 Ų49.255%0.54526%0.263SS..Hα-helixtrans-62-45.7173.554.50000111.8E391 L395 A396 D397E391-S393 VanDerWaalsContact C-N 3.28Å; E391-S393 PolarHBondContact O-N 2.96Å; S393-L395 PolarHBondContact O-N 2.89Å; S393-A396 WeakPolarHBondContact O-CB 3.37Å; S393-A396 PolarHBondContact O-N 2.7Å; S393-A396 VanDerWaalsContact O-N 3.08Å; S393-D397 PolarHBondContact O-N 2.99Å; S393-D397 VanDerWaalsContact O-N 3.12Å
394R87.6Confident85.1Confident92 Ų9253.5 Ų53.535%0.34729%0.291SS..Hα-helixtrans-64-33.1177.4-59.5-179.6-178.5167.31.2111.7F360 E391 A396 D397 V398F360-R394 HydrophobicContact CD1-CB 3.78Å; F360-R394 HydrophobicContact CE1-CB 3.69Å; E391-R394 WeakPolarHBondContact O-CB 3.49Å; E391-R394 PolarHBondContact O-N 3.49Å; E391-R394 VanDerWaalsContact O-N 3.15Å; R394-A396 VanDerWaalsContact C-N 3.34Å; R394-D397 PolarHBondContact O-N 2.97Å; R394-V398 WeakPolarHBondContact O-CG2 3.43Å; R394-V398 PolarHBondContact O-N 3.44Å; R394-V398 VanDerWaalsContact O-N 3.12Å
395L86.6Confident83.7Confident31 Ų3156.5 Ų56.516%0.16232%0.319CS..Hα-helixtrans-64.7-41.5174.3175.262.1000111.3I233 F360 V387 E391 E392 S393 D397 V398 E399 F427I233-L395 HydrophobicContact CD1-CD1 3.25Å; I233-L395 HydrophobicContact CD1-CD2 3.68Å; I233-L395 HydrophobicContact CD1-CG 4.07Å; I233-L395 HydrophobicContact CG2-CD2 4.34Å; F360-L395 HydrophobicContact CE2-CD1 4.23Å; F360-L395 HydrophobicContact CZ-CB 4.14Å; F360-L395 HydrophobicContact CZ-CD1 3.98Å; V387-L395 HydrophobicContact CG1-CB 4.48Å; V387-L395 HydrophobicContact CG1-CD2 4.45Å; V387-L395 HydrophobicContact CG2-CD2 4.36Å; E391-L395 PolarHBondContact O-N 2.91Å; E391-L395 VanDerWaalsContact O-N 3.08Å; E392-L395 WeakPolarHBondContact O-CB 3.46Å; E392-L395 PolarHBondContact O-N 2.66Å; S393-L395 PolarHBondContact O-N 2.89Å; L395-D397 VanDerWaalsContact C-N 3.3Å; L395-D397 PolarHBondContact O-N 3.26Å; L395-V398 PolarHBondContact O-N 3.07Å; L395-E399 PolarHBondContact O-N 3.02Å; L395-F427 HydrophobicContact CD1-CD2 4.12Å; L395-F427 HydrophobicContact CD1-CE2 3.82Å; L395-F427 HydrophobicContact CD1-CZ 4.19Å
396A85.2Confident82.3Confident52 Ų5258.2 Ų58.243%0.4334%0.336SS..Hα-helixtrans-61.1-40175.600000111.6E392 S393 R394 V398 E399 A400E392-A396 PolarHBondContact O-N 3.34Å; E392-A396 VanDerWaalsContact O-N 3.1Å; S393-A396 WeakPolarHBondContact O-CB 3.37Å; S393-A396 PolarHBondContact O-N 2.7Å; S393-A396 VanDerWaalsContact O-N 3.08Å; R394-A396 VanDerWaalsContact C-N 3.34Å; A396-V398 VanDerWaalsContact C-N 3.33Å; A396-V398 PolarHBondContact O-N 3.34Å; A396-E399 PolarHBondContact O-N 3.41Å; A396-A400 WeakPolarHBondContact O-CB 3.23Å; A396-A400 PolarHBondContact O-N 3.01Å
397D86.1Confident80.8Confident92 Ų9260 Ų6049%0.49235%0.35SS..Hα-helixtrans-62.5-39175.4-60.5-27.9000112.3P364 S393 R394 L395 L401P364-D397 HydrophobicContact CG-CB 4.43Å; S393-D397 PolarHBondContact O-N 2.99Å; S393-D397 VanDerWaalsContact O-N 3.12Å; R394-D397 PolarHBondContact O-N 2.97Å; L395-D397 VanDerWaalsContact C-N 3.3Å; L395-D397 PolarHBondContact O-N 3.26Å; D397-L401 PolarHBondContact O-N 2.9Å
398V85.3Confident79.3Confident1 Ų162.2 Ų62.21%0.00637%0.37CS..Hα-helixtrans-68.1-44.9175.1179.50000111F360 P364 Y367 R394 L395 A396 A400 L401 L402 F427F360-V398 HydrophobicContact CE1-CG2 4Å; F360-V398 HydrophobicContact CZ-CG2 3.85Å; P364-V398 HydrophobicContact CB-CB 4.3Å; P364-V398 HydrophobicContact CB-CG2 3.67Å; Y367-V398 HydrophobicContact CD1-CG1 3.45Å; Y367-V398 VanDerWaalsContact CD1-CG1 3.45Å; Y367-V398 HydrophobicContact CD2-CG1 4.32Å; Y367-V398 HydrophobicContact CD2-CG2 4.39Å; Y367-V398 HydrophobicContact CE1-CG1 3.83Å; Y367-V398 HydrophobicContact CG-CG1 3.76Å; Y367-V398 HydrophobicContact CG-CG2 4.06Å; R394-V398 WeakPolarHBondContact O-CG2 3.43Å; R394-V398 PolarHBondContact O-N 3.44Å; R394-V398 VanDerWaalsContact O-N 3.12Å; L395-V398 PolarHBondContact O-N 3.07Å; A396-V398 VanDerWaalsContact C-N 3.33Å; A396-V398 PolarHBondContact O-N 3.34Å; V398-A400 PolarHBondContact O-N 3.02Å; V398-L401 PolarHBondContact O-N 3.41Å; V398-L402 HydrophobicContact CG1-CD1 3.88Å; V398-L402 HydrophobicContact CG1-CG 4.27Å; V398-L402 WeakPolarHBondContact O-CG 3.33Å; V398-L402 PolarHBondContact O-N 3.48Å; V398-F427 HydrophobicContact CG1-CE2 4.45Å; V398-F427 HydrophobicContact CG1-CZ 3.76Å
399E84Confident77.9Confident38 Ų3864 Ų6418%0.17839%0.386CS..Hα-helixtrans-59.3-39.3177.5-167.5172.4-154.100110.5L395 A396 N403 K420 S425 F427L395-E399 PolarHBondContact O-N 3.02Å; A396-E399 PolarHBondContact O-N 3.41Å; E399-N403 PolarHBondContact O-N 3.35Å; E399-K420 IonicContact OE2-NZ 2.96Å; E399-K420 PolarHBondContact OE2-NZ 3.13Å; E399-S425 WeakPolarHBondContact OE1-CB 3.2Å; E399-S425 PolarHBondContact OE1-OG 3.22Å; E399-F427 HydrophobicContact CB-CD2 4.47Å; E399-F427 HydrophobicContact CB-CE2 3.97Å; E399-F427 HydrophobicContact CG-CD2 4.42Å; E399-F427 HydrophobicContact CG-CE2 4.3Å
400A81.2Confident76.5Confident42 Ų4260.1 Ų60.135%0.34738%0.381SS..Hα-helixtrans-66.5-39.6176.300000113.4A396 V398 N403 A407A396-A400 WeakPolarHBondContact O-CB 3.23Å; A396-A400 PolarHBondContact O-N 3.01Å; V398-A400 PolarHBondContact O-N 3.02Å; A400-N403 CarbonylContact O-C 3.54Å; A400-A407 HydrophobicContact CB-CB 3.99Å
401L78.4Confident75.2Confident63 Ų6356.7 Ų56.733%0.3338%0.375SS..Hα-helixtrans-68.5-39.6177.4-173.5149.1000112P364 I365 V368 D397 V398P364-L401 HydrophobicContact CB-CB 4.36Å; P364-L401 HydrophobicContact CB-CD1 4.01Å; P364-L401 HydrophobicContact CG-CD1 4.07Å; I365-L401 HydrophobicContact CG1-CD1 4.23Å; V368-L401 HydrophobicContact CG2-CD2 3.86Å; D397-L401 PolarHBondContact O-N 2.9Å; V398-L401 PolarHBondContact O-N 3.41Å
402L77.6Confident73.8Confident29 Ų2964.6 Ų64.615%0.15241%0.409CS..Hα-helixtrans-79.3-33.8-177.5-66.3179.5000113.1L223 Y367 V368 V398 P404 I426 F427L223-L402 HydrophobicContact CD1-CD1 3.92Å; L223-L402 HydrophobicContact CD1-CD2 3.46Å; L223-L402 VanDerWaalsContact CD1-CD2 3.46Å; L223-L402 HydrophobicContact CD1-CG 4.36Å; L223-L402 HydrophobicContact CG-CD2 4.06Å; Y367-L402 HydrophobicContact CE1-CD1 4.31Å; V368-L402 HydrophobicContact CG2-CD2 3.98Å; V398-L402 HydrophobicContact CG1-CD1 3.88Å; V398-L402 HydrophobicContact CG1-CG 4.27Å; V398-L402 WeakPolarHBondContact O-CG 3.33Å; V398-L402 PolarHBondContact O-N 3.48Å; L402-P404 WeakPolarHBondContact O-CD 3.25Å; L402-I426 HydrophobicContact CB-CD1 3.54Å; L402-F427 HydrophobicContact CD1-CE1 4.33Å; L402-F427 HydrophobicContact CD1-CZ 3.81Å
403N75.9Confident72.3Confident47 Ų4762.7 Ų62.725%0.25141%0.407SS..  trans-125.173.4179.6-95.2-9.2000110.8E399 A400 A405 G406 A407 S424 I426E399-N403 PolarHBondContact O-N 3.35Å; A400-N403 CarbonylContact O-C 3.54Å; N403-A405 PolarHBondContact O-N 3.26Å; N403-G406 PolarHBondContact O-N 3.46Å; N403-A407 PolarHBondContact O-N 3.21Å; N403-S424 PolarHBondContact ND2-O 2.96Å; N403-S424 VanDerWaalsContact ND2-O 3.12Å; N403-I426 HydrophobicContact CB-CD1 4.13Å; N403-I426 WeakPolarHBondContact ND2-CD1 3.49Å; N403-I426 WeakPolarHBondContact ND2-CG1 3.26Å; N403-I426 VanDerWaalsContact OD1-CD1 3.27Å; N403-I426 WeakPolarHBondContact OD1-CD1 3.42Å
404P69.1Low70.3Confident91 Ų9162.7 Ų62.759%0.59142%0.419SS*.Hα-helixtrans-59.3-34.4177.823.2-32.9000111.8L402 A408L402-P404 WeakPolarHBondContact O-CD 3.25Å; P404-A408 WeakPolarHBondContact O-CB 3.31Å; P404-A408 PolarHBondContact O-N 3.32Å
405A62.1Low68Low80 Ų8063 Ų6366%0.66143%0.431SS*.Hα-helixtrans-65.4-40.6175.300000112.7N403 A409N403-A405 PolarHBondContact O-N 3.26Å; A405-A409 PolarHBondContact O-N 2.85Å; A405-A409 VanDerWaalsContact O-N 3.09Å
406G64.3Low65.6Low35 Ų3566.2 Ų66.236%0.36146%0.462SS..Hα-helixtrans-69.5-39.7177.600000112.3N403 A409 A410N403-G406 PolarHBondContact O-N 3.46Å; G406-A409 PolarHBondContact O-N 2.74Å; G406-A410 PolarHBondContact O-N 2.83Å
407A60.2Low63.2Low37 Ų3767.5 Ų67.531%0.30647%0.468SS..Hα-helixtrans-65.4-41.8175.200000112.3A400 N403 A409 A410 A411A400-A407 HydrophobicContact CB-CB 3.99Å; N403-A407 PolarHBondContact O-N 3.21Å; A407-A409 VanDerWaalsContact C-N 3.3Å; A407-A409 PolarHBondContact O-N 3.14Å; A407-A410 PolarHBondContact O-N 2.8Å; A407-A411 WeakPolarHBondContact O-CB 3.2Å; A407-A411 PolarHBondContact O-N 2.96Å
408A60.6Low60.8Low50 Ų5072.4 Ų72.441%0.41349%0.488SS..Hα-helixtrans-63-36.6174.900000112.1P404 K412P404-A408 WeakPolarHBondContact O-CB 3.31Å; P404-A408 PolarHBondContact O-N 3.32Å; A408-K412 WeakPolarHBondContact O-CB 3.32Å; A408-K412 VanDerWaalsContact O-CG 3.32Å; A408-K412 WeakPolarHBondContact O-CG 3.47Å; A408-K412 PolarHBondContact O-N 3.13Å; A408-K412 VanDerWaalsContact O-N 3.08Å
409A58.5Low58.2Low59 Ų5981.1 Ų81.149%0.48853%0.526SS..Hα-helixtrans-66.3-45.9173.900000111.6A405 G406 A407 A411 K412 S413A405-A409 PolarHBondContact O-N 2.85Å; A405-A409 VanDerWaalsContact O-N 3.09Å; G406-A409 PolarHBondContact O-N 2.74Å; A407-A409 VanDerWaalsContact C-N 3.3Å; A407-A409 PolarHBondContact O-N 3.14Å; A409-A411 PolarHBondContact O-N 2.9Å; A409-K412 PolarHBondContact O-N 3.4Å; A409-S413 PolarHBondContact O-N 2.99Å; A409-S413 PolarHBondContact O-OG 2.92Å
410A57.7Low56.1Low64 Ų6485.4 Ų85.453%0.52954%0.544SS..Hα-helixtrans-61.5-42.3177.500000112.3G406 A407 S413G406-A410 PolarHBondContact O-N 2.83Å; A407-A410 PolarHBondContact O-N 2.8Å; A410-S413 WeakPolarHBondContact CA-OG 3.48Å; A410-S413 PolarHBondContact O-N 2.89Å; A410-S413 PolarHBondContact O-OG 2.96Å
411A59.4Low53.9Low84 Ų8489.4 Ų89.469%0.69456%0.559SS**Hα-helixtrans-65.5-37.9177.300000112.5A407 A409A407-A411 WeakPolarHBondContact O-CB 3.2Å; A407-A411 PolarHBondContact O-N 2.96Å; A409-A411 PolarHBondContact O-N 2.9Å
412K57.9Low52.4Low186 Ų18693.5 Ų93.581%0.80958%0.575SS**Hα-helixtrans-72.6-28.9175.8-75.2179.1-178.9-177.80113A408 A409 G414A408-K412 WeakPolarHBondContact O-CB 3.32Å; A408-K412 VanDerWaalsContact O-CG 3.32Å; A408-K412 WeakPolarHBondContact O-CG 3.47Å; A408-K412 PolarHBondContact O-N 3.13Å; A408-K412 VanDerWaalsContact O-N 3.08Å; A409-K412 PolarHBondContact O-N 3.4Å; K412-G414 VanDerWaalsContact C-N 3.31Å; K412-G414 PolarHBondContact O-N 3.2Å
413S52.9Low50.7Low66 Ų6697.1 Ų97.146%0.46261%0.609SS.*Hα-helixtrans-74.1-15-175.252.50000114.7A409 A410 V415A409-S413 PolarHBondContact O-N 2.99Å; A409-S413 PolarHBondContact O-OG 2.92Å; A410-S413 WeakPolarHBondContact CA-OG 3.48Å; A410-S413 PolarHBondContact O-N 2.89Å; A410-S413 PolarHBondContact O-OG 2.96Å; S413-V415 WeakPolarHBondContact O-CB 3.36Å; S413-V415 VanDerWaalsContact O-CG2 3.32Å; S413-V415 WeakPolarHBondContact O-CG2 3.39Å; S413-V415 PolarHBondContact O-N 3.37Å
414G46.3Very low49.4Very low77 Ų7798.8 Ų98.879%0.79462%0.624SS**  trans54.9-4.3168.500000117.6K412K412-G414 VanDerWaalsContact C-N 3.31Å; K412-G414 PolarHBondContact O-N 3.2Å
415V39.9Very low48.9Very low99 Ų9995.5 Ų95.560%0.660%0.604SS**SBendtrans-119.8122.6-171.2176.70000105S413 S417S413-V415 WeakPolarHBondContact O-CB 3.36Å; S413-V415 VanDerWaalsContact O-CG2 3.32Å; S413-V415 WeakPolarHBondContact O-CG2 3.39Å; S413-V415 PolarHBondContact O-N 3.37Å; V415-S417 PolarHBondContact O-N 3.38Å
416A36.3Very low49.1Very low98 Ų9893.1 Ų93.181%0.8158%0.579SS**  trans-63.272.9165.500000108.6E418A416-E418 VanDerWaalsContact C-N 3.34Å; A416-E418 PolarHBondContact O-N 2.87Å
417S33.3Very low49.5Very low79 Ų7992 Ų9255%0.55257%0.565SS**  trans-72.597.3173.1-82.10000107V415 K419 K420V415-S417 PolarHBondContact O-N 3.38Å; S417-K419 CarbonylContact O-C 3.53Å; S417-K419 PolarHBondContact O-N 2.93Å; S417-K420 PolarHBondContact O-N 2.8Å
418E36.1Very low50.2Low195 Ų19595.5 Ų95.591%0.91157%0.57SS**SBendtrans-56.41.7173.5-66.2-178.7147.200114.1A416A416-E418 VanDerWaalsContact C-N 3.34Å; A416-E418 PolarHBondContact O-N 2.87Å
419K31.7Very low50.5Low184 Ų18496.4 Ų96.480%0.857%0.572SS**  trans-113.574.1167.9-65.6177.6-177.3173.70108.6S417 D421S417-K419 CarbonylContact O-C 3.53Å; S417-K419 PolarHBondContact O-N 2.93Å; K419-D421 PolarHBondContact O-N 3.04Å; K419-D421 VanDerWaalsContact O-N 3.07Å
420K38.8Very low50.8Low129 Ų12994.6 Ų94.656%0.56155%0.552SS**  trans-58.3112160.3-89.7-170.9173.4-171.70106.5E399 S417 F422E399-K420 IonicContact OE2-NZ 2.96Å; E399-K420 PolarHBondContact OE2-NZ 3.13Å; S417-K420 PolarHBondContact O-N 2.8Å; K420-F422 PolarHBondContact O-N 3.34Å
421D35Very low51Low125 Ų12598.1 Ų98.167%0.66856%0.558SS**  trans-58.7102.3169.9-75.4-36.5000108.1K419 A423 S424K419-D421 PolarHBondContact O-N 3.04Å; K419-D421 VanDerWaalsContact O-N 3.07Å; D421-A423 PolarHBondContact O-N 3.06Å; D421-S424 PolarHBondContact O-N 3.45Å; D421-S424 PolarHBondContact O-OG 3.5Å
422F46.2Very low51.2Low149 Ų14995.4 Ų95.465%0.65453%0.53SS*.THydrogen-bonded Turntrans-57-9.5-178.7-77.9-80000113.9K420 P429K420-F422 PolarHBondContact O-N 3.34Å; F422-P429 HydrophobicContact CD1-CG 3.73Å; F422-P429 HydrophobicContact CE1-CB 4.34Å; F422-P429 HydrophobicContact CE1-CG 3.65Å
423A41.7Very low51.5Low106 Ų10691.5 Ų91.588%0.87651%0.511SS*.THydrogen-bonded Turntrans-73.3-23.7176.400000113.3D421D421-A423 PolarHBondContact O-N 3.06Å
424S50.2Low52.2Low81 Ų8191.1 Ų91.157%0.56650%0.503SS*.SBendtrans-98.9-12-178.161.20000114.6N403 D421N403-S424 PolarHBondContact ND2-O 2.96Å; N403-S424 VanDerWaalsContact ND2-O 3.12Å; D421-S424 PolarHBondContact O-N 3.45Å; D421-S424 PolarHBondContact O-OG 3.5Å
425S58.4Low53.2Low23 Ų2391.5 Ų91.516%0.16149%0.493CS..  trans-83.8121.2175.8-70.30000109.7E399 F427E399-S425 WeakPolarHBondContact OE1-CB 3.2Å; E399-S425 PolarHBondContact OE1-OG 3.22Å; S425-F427 PolarHBondContact O-N 3.36Å
426I66.4Low54.5Low29 Ų2989.6 Ų89.615%0.14948%0.478CS..SBendtrans-52.7-29.6174.9-68.4162.3000111.2Q231 L402 N403Q231-I426 VanDerWaalsContact NE2-CG2 3.33Å; L402-I426 HydrophobicContact CB-CD1 3.54Å; N403-I426 HydrophobicContact CB-CD1 4.13Å; N403-I426 WeakPolarHBondContact ND2-CD1 3.49Å; N403-I426 WeakPolarHBondContact ND2-CG1 3.26Å; N403-I426 VanDerWaalsContact OD1-CD1 3.27Å; N403-I426 WeakPolarHBondContact OD1-CD1 3.42Å
427F72.6Confident56.2Low12 Ų1285.2 Ų85.25%0.05344%0.441CS..SBendtrans-81.8120.6-179.9-59-58.7000112.4Q231 I233 Y367 L395 V398 E399 L402 S425 P429Q231-F427 HydrophobicContact CB-CD1 4Å; Q231-F427 HydrophobicContact CB-CE1 4.31Å; I233-F427 HydrophobicContact CD1-CB 3.44Å; I233-F427 VanDerWaalsContact CD1-CB 3.44Å; I233-F427 HydrophobicContact CD1-CD1 3.51Å; I233-F427 HydrophobicContact CD1-CD2 3.69Å; I233-F427 HydrophobicContact CD1-CE1 4.16Å; I233-F427 HydrophobicContact CD1-CE2 4.29Å; I233-F427 HydrophobicContact CD1-CG 3.24Å; I233-F427 HydrophobicContact CD1-CZ 4.49Å; I233-F427 HydrophobicContact CG1-CB 3.88Å; I233-F427 HydrophobicContact CG1-CD1 3.84Å; I233-F427 HydrophobicContact CG1-CG 3.93Å; Y367-F427 HydrophobicContact CE1-CE1 4.18Å; Y367-F427 HydrophobicContact CE1-CZ 4.38Å; Y367-F427 AromaticContact CZ-CE1 3.89Å; Y367-F427 WeakPolarHBondContact OH-CE1 3.16Å; L395-F427 HydrophobicContact CD1-CD2 4.12Å; L395-F427 HydrophobicContact CD1-CE2 3.82Å; L395-F427 HydrophobicContact CD1-CZ 4.19Å; V398-F427 HydrophobicContact CG1-CE2 4.45Å; V398-F427 HydrophobicContact CG1-CZ 3.76Å; E399-F427 HydrophobicContact CB-CD2 4.47Å; E399-F427 HydrophobicContact CB-CE2 3.97Å; E399-F427 HydrophobicContact CG-CD2 4.42Å; E399-F427 HydrophobicContact CG-CE2 4.3Å; L402-F427 HydrophobicContact CD1-CE1 4.33Å; L402-F427 HydrophobicContact CD1-CZ 3.81Å; S425-F427 PolarHBondContact O-N 3.36Å; F427-P429 WeakPolarHBondContact O-CD 3.29Å
428R73.5Confident58.1Low111 Ų11185.4 Ų85.442%0.41944%0.436SS..EExtended strand (participates in β ladder)trans-83.7115.7169.8-62.8-175.6-176.6-174.52108.7Q231 Y232 I233 Y430Q231-R428 PolarHBondContact O-N 3.18Å; Y232-R428 WeakPolarHBondContact CA-O 3.23Å; Y232-R428 HydrophobicContact CD1-CB 3.86Å; Y232-R428 HydrophobicContact CE1-CB 3.95Å; I233-R428 PolarHBondContact N-O 2.81Å; R428-Y430 PolarHBondContact O-N 3.28Å; R428-Y430 VanDerWaalsContact O-N 3.13Å
429P68.1Low60Low69 Ų6977.5 Ų77.545%0.44841%0.407SS..EExtended strand (participates in β ladder)trans-63.6120.1173.428.6-35.6000108.1F422 F427 Q431F422-P429 HydrophobicContact CD1-CG 3.73Å; F422-P429 HydrophobicContact CE1-CB 4.34Å; F422-P429 HydrophobicContact CE1-CG 3.65Å; F427-P429 WeakPolarHBondContact O-CD 3.29Å; P429-Q431 PolarHBondContact O-N 3.33Å
430Y65.4Low62.3Low20 Ų2068.8 Ų68.88%0.07837%0.369CS..  trans-86100.7173.6-170.7-110.7000108Y232 I233 I234 L248 R428 F432 L569Y232-Y430 HydrophobicContact CD1-CD2 4.16Å; Y232-Y430 HydrophobicContact CE1-CD2 4.47Å; I233-Y430 PolarHBondContact O-N 2.87Å; I234-Y430 HydrophobicContact CD1-CD1 3.62Å; I234-Y430 HydrophobicContact CD1-CE1 4.34Å; I234-Y430 HydrophobicContact CD1-CG 4.45Å; I234-Y430 HydrophobicContact CG1-CD1 3.87Å; I234-Y430 HydrophobicContact CG1-CG 4.33Å; L248-Y430 HydrophobicContact CD2-CE1 4.48Å; R428-Y430 PolarHBondContact O-N 3.28Å; R428-Y430 VanDerWaalsContact O-N 3.13Å; Y430-F432 HydrophobicContact CD1-CB 4.09Å; Y430-F432 HydrophobicContact CD1-CD2 4.26Å; Y430-F432 HydrophobicContact CE1-CB 4.25Å; Y430-F432 AromaticContact CE1-CD2 3.6Å; Y430-F432 HydrophobicContact CE1-CD2 3.6Å; Y430-F432 HydrophobicContact CE1-CE2 4.42Å; Y430-F432 HydrophobicContact CE1-CG 4.4Å; Y430-F432 PolarHBondContact O-N 2.9Å; Y430-L569 HydrophobicContact CD2-CD2 4.07Å; Y430-L569 HydrophobicContact CE2-CB 4.41Å; Y430-L569 HydrophobicContact CE2-CD2 3.26Å; Y430-L569 HydrophobicContact CE2-CG 4.43Å
431Q60.8Low64.4Low139 Ų13968.3 Ų68.365%0.6536%0.364SS*.  trans-69.483.4174.8-70.6-176.2-2.500109.4P429 R433P429-Q431 PolarHBondContact O-N 3.33Å; Q431-R433 PolarHBondContact O-N 3.37Å
432F63.8Low66.8Low27 Ų2770.8 Ų70.812%0.11837%0.365CS..  trans-79.3111.9170.4-162.9-105.7000108.7I244 A247 Y430 L434 V437I244-F432 HydrophobicContact CB-CE1 4.3Å; I244-F432 HydrophobicContact CD1-CD1 4.19Å; I244-F432 HydrophobicContact CG1-CD1 3.77Å; I244-F432 HydrophobicContact CG1-CE1 3.65Å; I244-F432 HydrophobicContact CG1-CZ 4.33Å; I244-F432 HydrophobicContact CG2-CD1 4.35Å; I244-F432 HydrophobicContact CG2-CE1 4.22Å; I244-F432 HydrophobicContact CG2-CE2 4.34Å; I244-F432 HydrophobicContact CG2-CG 4.44Å; I244-F432 HydrophobicContact CG2-CZ 4.15Å; A247-F432 HydrophobicContact CB-CZ 3.93Å; Y430-F432 HydrophobicContact CD1-CB 4.09Å; Y430-F432 HydrophobicContact CD1-CD2 4.26Å; Y430-F432 HydrophobicContact CE1-CB 4.25Å; Y430-F432 AromaticContact CE1-CD2 3.6Å; Y430-F432 HydrophobicContact CE1-CD2 3.6Å; Y430-F432 HydrophobicContact CE1-CE2 4.42Å; Y430-F432 HydrophobicContact CE1-CG 4.4Å; Y430-F432 PolarHBondContact O-N 2.9Å; F432-L434 VanDerWaalsContact C-N 3.31Å; F432-L434 HydrophobicContact CD1-CD1 3.97Å; F432-L434 HydrophobicContact CE1-CD1 4.25Å; F432-L434 PolarHBondContact O-N 3.1Å; F432-V437 HydrophobicContact CE1-CB 3.8Å; F432-V437 HydrophobicContact CE1-CG1 3.94Å; F432-V437 HydrophobicContact CE1-CG2 3.64Å; F432-V437 HydrophobicContact CE2-CG2 4.36Å; F432-V437 HydrophobicContact CZ-CB 4.03Å; F432-V437 HydrophobicContact CZ-CG1 3.95Å; F432-V437 HydrophobicContact CZ-CG2 3.48Å; F432-V437 VanDerWaalsContact CZ-CG2 3.48Å
433R63.8Low68.6Low104 Ų10465.4 Ų65.439%0.39234%0.34SS..  trans-72.191.6171.9-69.2-179.8175.5-163.7-4.7108.7Q431 S435 E436 F572Q431-R433 PolarHBondContact O-N 3.37Å; R433-S435 PolarHBondContact O-N 2.7Å; R433-S435 VanDerWaalsContact O-N 3.14Å; R433-E436 HydrophobicContact CB-CB 4.48Å; R433-E436 HydrophobicContact CB-CG 3.98Å; R433-E436 VanDerWaalsContact CD-OE1 3.23Å; R433-E436 WeakPolarHBondContact CD-OE1 3.39Å; R433-E436 IonicContact NH1-OE1 3.36Å; R433-E436 PolarHBondContact O-N 3.23Å; R433-F572 HydrophobicContact CB-CE1 4.38Å
434L68.1Low70.7Confident57 Ų5760.4 Ų60.430%0.29830%0.299SS..G310 helixtrans-54.7-33.6-179.7-151.772.6000111.5D240 I244 F432 E436 V437 D438D240-L434 HydrophobicContact CB-CD1 4.43Å; I244-L434 HydrophobicContact CD1-CD1 3.97Å; I244-L434 HydrophobicContact CG1-CD1 3.99Å; F432-L434 VanDerWaalsContact C-N 3.31Å; F432-L434 HydrophobicContact CD1-CD1 3.97Å; F432-L434 HydrophobicContact CE1-CD1 4.25Å; F432-L434 PolarHBondContact O-N 3.1Å; L434-E436 PolarHBondContact O-N 3.37Å; L434-V437 CarbonylContact O-C 3.58Å; L434-V437 PolarHBondContact O-N 2.87Å; L434-D438 PolarHBondContact O-N 3.34Å
435S66.7Low72.5Confident85 Ų8558.5 Ų58.559%0.59429%0.288SS*.G310 helixtrans-58.4-28.417661.20000114.4R433 V437R433-S435 PolarHBondContact O-N 2.7Å; R433-S435 VanDerWaalsContact O-N 3.14Å; S435-V437 PolarHBondContact O-N 2.85Å
436E68.4Low73.9Confident60 Ų6059.7 Ų59.728%0.2829%0.293SS..G310 helixtrans-77.8-12.6177.7-64.8-174.1-167.400111.8R433 L434 P511 F572R433-E436 HydrophobicContact CB-CB 4.48Å; R433-E436 HydrophobicContact CB-CG 3.98Å; R433-E436 VanDerWaalsContact CD-OE1 3.23Å; R433-E436 WeakPolarHBondContact CD-OE1 3.39Å; R433-E436 IonicContact NH1-OE1 3.36Å; R433-E436 PolarHBondContact O-N 3.23Å; L434-E436 PolarHBondContact O-N 3.37Å; E436-P511 HydrophobicContact CB-CB 4.3Å; E436-P511 HydrophobicContact CB-CG 4.05Å; E436-F572 VanDerWaalsContact OE2-CZ 3.28Å; E436-F572 WeakPolarHBondContact OE2-CZ 3.5Å
437V70.4Confident74.9Confident5 Ų558.5 Ų58.53%0.0329%0.287CS..SBendtrans-121.610.7-167.9-1760000111.8A247 F432 L434 S435 G439 F440 R441A247-V437 HydrophobicContact CB-CG1 3.58Å; F432-V437 HydrophobicContact CE1-CB 3.8Å; F432-V437 HydrophobicContact CE1-CG1 3.94Å; F432-V437 HydrophobicContact CE1-CG2 3.64Å; F432-V437 HydrophobicContact CE2-CG2 4.36Å; F432-V437 HydrophobicContact CZ-CB 4.03Å; F432-V437 HydrophobicContact CZ-CG1 3.95Å; F432-V437 HydrophobicContact CZ-CG2 3.48Å; F432-V437 VanDerWaalsContact CZ-CG2 3.48Å; L434-V437 CarbonylContact O-C 3.58Å; L434-V437 PolarHBondContact O-N 2.87Å; S435-V437 PolarHBondContact O-N 2.85Å; V437-G439 PolarHBondContact O-N 3.23Å; V437-G439 VanDerWaalsContact O-N 3.08Å; V437-F440 HydrophobicContact CG1-CB 3.72Å; V437-F440 HydrophobicContact CG1-CD2 3.7Å; V437-F440 HydrophobicContact CG1-CG 4.04Å; V437-F440 WeakPolarHBondContact O-CA 3.46Å; V437-F440 WeakPolarHBondContact O-CB 3.31Å; V437-F440 PolarHBondContact O-N 3.08Å; V437-R441 PolarHBondContact O-N 2.96Å; V437-R441 VanDerWaalsContact O-N 3.13Å
438D73.8Confident75.6Confident83 Ų8359 Ų5944%0.44429%0.29SS..Hα-helixtrans-53.6-34.1177.5-74.4-31.3000112.8L434 F440 R441 Y442L434-D438 PolarHBondContact O-N 3.34Å; D438-F440 VanDerWaalsContact C-N 3.3Å; D438-F440 PolarHBondContact O-N 3.41Å; D438-R441 VanDerWaalsContact O-CB 3.29Å; D438-R441 WeakPolarHBondContact O-CB 3.43Å; D438-R441 PolarHBondContact O-N 3.42Å; D438-R441 VanDerWaalsContact O-N 3.07Å; D438-Y442 PolarHBondContact O-N 2.91Å
439G75.3Confident76.3Confident29 Ų2963 Ų6330%0.29931%0.305SS..Hα-helixtrans-63.4-32.5175.300000114V437V437-G439 PolarHBondContact O-N 3.23Å; V437-G439 VanDerWaalsContact O-N 3.08Å
440F80.9Confident77.1Confident1 Ų164.1 Ų64.10%0.00430%0.303CS..Hα-helixtrans-77.8-30.7171.6-69.8-88000111.9I246 A247 K250 L251 V437 D438 Y442 R443 A444 V505 L509I246-F440 HydrophobicContact CG2-CD1 3.83Å; I246-F440 HydrophobicContact CG2-CE1 4.11Å; A247-F440 HydrophobicContact CB-CD2 4.49Å; K250-F440 HydrophobicContact CB-CE1 4.3Å; L251-F440 HydrophobicContact CD2-CZ 4.47Å; V437-F440 HydrophobicContact CG1-CB 3.72Å; V437-F440 HydrophobicContact CG1-CD2 3.7Å; V437-F440 HydrophobicContact CG1-CG 4.04Å; V437-F440 WeakPolarHBondContact O-CA 3.46Å; V437-F440 WeakPolarHBondContact O-CB 3.31Å; V437-F440 PolarHBondContact O-N 3.08Å; D438-F440 VanDerWaalsContact C-N 3.3Å; D438-F440 PolarHBondContact O-N 3.41Å; F440-Y442 PolarHBondContact O-N 2.92Å; F440-R443 PolarHBondContact O-N 3.44Å; F440-A444 VanDerWaalsContact O-CB 3.26Å; F440-A444 WeakPolarHBondContact O-CB 3.46Å; F440-A444 PolarHBondContact O-N 2.91Å; F440-V505 HydrophobicContact CE1-CG1 3.98Å; F440-V505 HydrophobicContact CE1-CG2 4.14Å; F440-V505 HydrophobicContact CZ-CG1 3.64Å; F440-L509 HydrophobicContact CE2-CB 4.38Å; F440-L509 WeakPolarHBondContact CE2-O 3.25Å
441R83.6Confident78.2Confident120 Ų12063.5 Ų63.545%0.45330%0.302SS..Hα-helixtrans-59.3-46.1178.7-166.2-178.7-173.3-154.3-2.8111.6D240 A243 V437 D438 A444 A445D240-R441 IonicContact OD1-CZ 2.64Å; D240-R441 IonicContact OD1-NE 3.99Å; D240-R441 PolarHBondContact OD1-NE 3.24Å; D240-R441 IonicContact OD1-NH2 2.69Å; D240-R441 PolarHBondContact OD1-NH2 2.81Å; A243-R441 HydrophobicContact CB-CB 4.37Å; V437-R441 PolarHBondContact O-N 2.96Å; V437-R441 VanDerWaalsContact O-N 3.13Å; D438-R441 VanDerWaalsContact O-CB 3.29Å; D438-R441 WeakPolarHBondContact O-CB 3.43Å; D438-R441 PolarHBondContact O-N 3.42Å; D438-R441 VanDerWaalsContact O-N 3.07Å; R441-A444 PolarHBondContact O-N 3.44Å; R441-A445 VanDerWaalsContact O-CB 3.3Å; R441-A445 WeakPolarHBondContact O-CB 3.46Å; R441-A445 PolarHBondContact O-N 3.31Å
442Y84.2Confident79.5Confident176 Ų17660.2 Ų60.269%0.6929%0.291SS*.Hα-helixtrans-61.9-46.1176.9-175.3-93.8000112.1D438 F440 A444 A445 D446D438-Y442 PolarHBondContact O-N 2.91Å; F440-Y442 PolarHBondContact O-N 2.92Å; Y442-A444 PolarHBondContact O-N 3.42Å; Y442-A445 PolarHBondContact O-N 2.9Å; Y442-D446 PolarHBondContact O-N 3.16Å
443R84.4Confident80.7Confident37 Ų3770 Ų7014%0.1433%0.327CS..Hα-helixtrans-62.2-44.1177.5-70.5-179168.1-151-6.8112.5F278 F440 D446 V447 L502 D504 P506F278-R443 HydrophobicContact CE1-CB 4.37Å; F278-R443 HydrophobicContact CZ-CB 4.42Å; F440-R443 PolarHBondContact O-N 3.44Å; R443-D446 PolarHBondContact O-N 2.95Å; R443-V447 WeakPolarHBondContact O-CG2 3.31Å; R443-V447 PolarHBondContact O-N 3.25Å; R443-V447 VanDerWaalsContact O-N 3.09Å; R443-L502 HydrophobicContact CB-CD2 4.3Å; R443-D504 PolarHBondContact NH1-O 2.81Å; R443-P506 VanDerWaalsContact NH2-CG 3.35Å
444A86.9Confident81.9Confident1 Ų172 Ų721%0.00834%0.339CS..Hα-helixtrans-62.2-46.1177.200000110.5A243 I246 F274 F440 R441 Y442 D446 V447 M448A243-A444 HydrophobicContact CB-CB 3.98Å; I246-A444 HydrophobicContact CD1-CB 3.98Å; F274-A444 HydrophobicContact CE2-CB 4.24Å; F274-A444 HydrophobicContact CZ-CB 3.88Å; F440-A444 VanDerWaalsContact O-CB 3.26Å; F440-A444 WeakPolarHBondContact O-CB 3.46Å; F440-A444 PolarHBondContact O-N 2.91Å; R441-A444 PolarHBondContact O-N 3.44Å; Y442-A444 PolarHBondContact O-N 3.42Å; A444-D446 VanDerWaalsContact C-N 3.31Å; A444-D446 PolarHBondContact O-N 2.88Å; A444-V447 PolarHBondContact O-N 2.55Å; A444-M448 VanDerWaalsContact O-CB 3.3Å; A444-M448 WeakPolarHBondContact O-CB 3.42Å; A444-M448 WeakPolarHBondContact O-CG 3.29Å; A444-M448 PolarHBondContact O-N 3.19Å
445A87.7Confident82.9Confident41 Ų4170.7 Ų70.734%0.33933%0.333SS..Hα-helixtrans-61.1-39.3177.700000112.3R441 Y442 M448 R449R441-A445 VanDerWaalsContact O-CB 3.3Å; R441-A445 WeakPolarHBondContact O-CB 3.46Å; R441-A445 PolarHBondContact O-N 3.31Å; Y442-A445 PolarHBondContact O-N 2.9Å; A445-M448 PolarHBondContact O-N 3.14Å; A445-R449 WeakPolarHBondContact O-CG 3.32Å; A445-R449 PolarHBondContact O-N 2.98Å; A445-R449 VanDerWaalsContact O-N 3.16Å
446D87.6Confident84.1Confident48 Ų4867.1 Ų67.126%0.25731%0.307SS..Hα-helixtrans-64.9-49.8177.8-169.839.7000111.9Y442 R443 A444 M448 R449 H450Y442-D446 PolarHBondContact O-N 3.16Å; R443-D446 PolarHBondContact O-N 2.95Å; A444-D446 VanDerWaalsContact C-N 3.31Å; A444-D446 PolarHBondContact O-N 2.88Å; D446-M448 VanDerWaalsContact C-N 3.26Å; D446-M448 PolarHBondContact O-N 3.31Å; D446-R449 WeakPolarHBondContact O-CB 3.14Å; D446-R449 PolarHBondContact O-N 2.94Å; D446-R449 VanDerWaalsContact O-N 3.12Å; D446-H450 PolarHBondContact O-N 3.21Å; D446-H450 PolarHBondContact O-ND1 2.7Å; D446-H450 IonicContact OD1-CE1 2.61Å; D446-H450 PolarHBondContact OD1-CE1 2.97Å; D446-H450 IonicContact OD1-ND1 2.88Å; D446-H450 IonicContact OD2-CE1 2.74Å
447V87.7Confident85Confident4 Ų472.6 Ų72.62%0.02433%0.326CS..Hα-helixtrans-60.1-39.1175.4177.70000111.2F274 E277 F278 R443 A444 R449 H450 I451 L502F274-V447 HydrophobicContact CD2-CB 4.09Å; F274-V447 HydrophobicContact CD2-CG1 3.59Å; F274-V447 HydrophobicContact CE2-CB 4.02Å; F274-V447 HydrophobicContact CE2-CG1 4.03Å; E277-V447 HydrophobicContact CB-CG1 3.98Å; E277-V447 HydrophobicContact CG-CG1 3.93Å; F278-V447 HydrophobicContact CE2-CB 4.22Å; F278-V447 HydrophobicContact CE2-CG1 4.32Å; F278-V447 HydrophobicContact CE2-CG2 3.84Å; F278-V447 HydrophobicContact CZ-CB 4.47Å; F278-V447 HydrophobicContact CZ-CG2 3.78Å; R443-V447 WeakPolarHBondContact O-CG2 3.31Å; R443-V447 PolarHBondContact O-N 3.25Å; R443-V447 VanDerWaalsContact O-N 3.09Å; A444-V447 PolarHBondContact O-N 2.55Å; V447-R449 VanDerWaalsContact C-N 3.26Å; V447-R449 PolarHBondContact O-N 3.13Å; V447-H450 WeakPolarHBondContact O-CB 3.19Å; V447-H450 PolarHBondContact O-N 2.95Å; V447-H450 VanDerWaalsContact O-N 3.08Å; V447-I451 HydrophobicContact CG1-CD1 3.78Å; V447-I451 HydrophobicContact CG1-CG1 4.38Å; V447-I451 WeakPolarHBondContact O-CG1 3.08Å; V447-I451 PolarHBondContact O-N 3.43Å; V447-I451 VanDerWaalsContact O-N 3.16Å; V447-L502 HydrophobicContact CG2-CD1 3.82Å; V447-L502 HydrophobicContact CG2-CD2 3.64Å; V447-L502 HydrophobicContact CG2-CG 4.37Å
448M87.4Confident85.8Confident23 Ų2375 Ų7511%0.11334%0.336CS..Hα-helixtrans-63.6-28.7178.9-75.9-70.7-7400113.7Y242 F274 A444 A445 D446Y242-M448 HydrophobicContact CD1-SD 3.96Å; Y242-M448 HydrophobicContact CD2-CE 3.46Å; Y242-M448 VanDerWaalsContact CD2-CE 3.46Å; Y242-M448 HydrophobicContact CD2-CG 4.48Å; Y242-M448 HydrophobicContact CD2-SD 3.85Å; Y242-M448 HydrophobicContact CE1-CE 4.3Å; Y242-M448 HydrophobicContact CE1-SD 3.9Å; Y242-M448 HydrophobicContact CE2-CE 3.16Å; Y242-M448 HydrophobicContact CE2-SD 3.83Å; Y242-M448 HydrophobicContact CG-CE 4.17Å; Y242-M448 HydrophobicContact CG-CG 4.47Å; Y242-M448 HydrophobicContact CG-SD 3.94Å; F274-M448 HydrophobicContact CD2-CG 4.12Å; F274-M448 HydrophobicContact CD2-SD 3.98Å; F274-M448 HydrophobicContact CE2-CG 3.83Å; F274-M448 HydrophobicContact CE2-SD 4.2Å; A444-M448 VanDerWaalsContact O-CB 3.3Å; A444-M448 WeakPolarHBondContact O-CB 3.42Å; A444-M448 WeakPolarHBondContact O-CG 3.29Å; A444-M448 PolarHBondContact O-N 3.19Å; A445-M448 PolarHBondContact O-N 3.14Å; D446-M448 VanDerWaalsContact C-N 3.26Å; D446-M448 PolarHBondContact O-N 3.31Å
449R87.1Confident86.5Confident195 Ų19572.1 Ų72.174%0.73633%0.325SS*.Hα-helixtrans-71.1-33.3173.5-71171.2-179.6-173.1-0.2112.2A445 D446 V447A445-R449 WeakPolarHBondContact O-CG 3.32Å; A445-R449 PolarHBondContact O-N 2.98Å; A445-R449 VanDerWaalsContact O-N 3.16Å; D446-R449 WeakPolarHBondContact O-CB 3.14Å; D446-R449 PolarHBondContact O-N 2.94Å; D446-R449 VanDerWaalsContact O-N 3.12Å; V447-R449 VanDerWaalsContact C-N 3.26Å; V447-R449 PolarHBondContact O-N 3.13Å
450H85.6Confident87.1Confident91 Ų9172.4 Ų72.442%0.42132%0.317SS..Hα-helixtrans-72.9-33.3177.8-66.987.5000112.2D446 V447 T452D446-H450 PolarHBondContact O-N 3.21Å; D446-H450 PolarHBondContact O-ND1 2.7Å; D446-H450 IonicContact OD1-CE1 2.61Å; D446-H450 PolarHBondContact OD1-CE1 2.97Å; D446-H450 IonicContact OD1-ND1 2.88Å; D446-H450 IonicContact OD2-CE1 2.74Å; V447-H450 WeakPolarHBondContact O-CB 3.19Å; V447-H450 PolarHBondContact O-N 2.95Å; V447-H450 VanDerWaalsContact O-N 3.08Å; H450-T452 PolarHBondContact O-N 2.9Å
451I87.7Confident87.4Confident8 Ų875.8 Ų75.84%0.04133%0.334CS..  trans-82.381.3-179.1-54.5167.5000110.5K270 L273 F274 V447 V456K270-I451 HydrophobicContact CG-CG2 3.84Å; L273-I451 HydrophobicContact CB-CD1 4.17Å; L273-I451 HydrophobicContact CB-CG2 4.41Å; L273-I451 HydrophobicContact CD1-CG2 4.13Å; F274-I451 HydrophobicContact CB-CD1 3.68Å; F274-I451 HydrophobicContact CD2-CD1 4.12Å; F274-I451 HydrophobicContact CG-CD1 4.43Å; V447-I451 HydrophobicContact CG1-CD1 3.78Å; V447-I451 HydrophobicContact CG1-CG1 4.38Å; V447-I451 WeakPolarHBondContact O-CG1 3.08Å; V447-I451 PolarHBondContact O-N 3.43Å; V447-I451 VanDerWaalsContact O-N 3.16Å; I451-V456 HydrophobicContact CG2-CG2 3.72Å
452T89.3Confident87.4Confident70 Ų7075.9 Ų75.943%0.42934%0.338SS..  trans-79.1161.1173.867.20000111.8H450 K454 V455 V456H450-T452 PolarHBondContact O-N 2.9Å; T452-K454 PolarHBondContact O-N 3.26Å; T452-K454 VanDerWaalsContact O-N 3.14Å; T452-V455 PolarHBondContact O-N 3.11Å; T452-V455 VanDerWaalsContact O-N 3.1Å; T452-V456 PolarHBondContact O-N 3.5Å; T452-V456 VanDerWaalsContact O-N 3.11Å
453R87.9Confident87.5Confident233 Ų23369.1 Ų69.188%0.87931%0.313SS*.Hα-helixtrans-56.4-29.6174.5-66-175.7-174.6178.91.5112.8R457R453-R457 WeakPolarHBondContact O-CB 3.47Å; R453-R457 PolarHBondContact O-N 3.48Å
454K89.5Confident87.5Confident145 Ų14569.7 Ų69.763%0.6332%0.318SS*.Hα-helixtrans-65-48.1176.5-175.4177.4174.2-177.70110.9T452 V456 R457 E458T452-K454 PolarHBondContact O-N 3.26Å; T452-K454 VanDerWaalsContact O-N 3.14Å; K454-V456 VanDerWaalsContact C-N 3.35Å; K454-V456 PolarHBondContact O-N 3.12Å; K454-R457 PolarHBondContact O-N 3.19Å; K454-E458 WeakPolarHBondContact CE-OE1 3.36Å; K454-E458 WeakPolarHBondContact O-CB 3.48Å; K454-E458 WeakPolarHBondContact O-CG 3.38Å; K454-E458 PolarHBondContact O-N 3.2Å
455V89.4Confident87.3Confident30 Ų3072.3 Ų72.318%0.18233%0.329CS..Hα-helixtrans-62.4-42.6177.6-179.70000111.1L273 T452 R457 E458 A459L273-V455 HydrophobicContact CD1-CG1 4.04Å; T452-V455 PolarHBondContact O-N 3.11Å; T452-V455 VanDerWaalsContact O-N 3.1Å; V455-R457 PolarHBondContact O-N 3.44Å; V455-E458 PolarHBondContact O-N 3.41Å; V455-A459 WeakPolarHBondContact O-CB 3.49Å; V455-A459 PolarHBondContact O-N 2.97Å
456V90.6Very high87.1Confident9 Ų974.3 Ų74.36%0.05533%0.333CS..Hα-helixtrans-59.2-47.2175.5174.20000111.1D266 K270 L273 I451 T452 K454 E458 A459 R460D266-V456 HydrophobicContact CB-CG1 4.39Å; D266-V456 WeakPolarHBondContact O-CG1 3.33Å; K270-V456 HydrophobicContact CB-CG2 4.02Å; K270-V456 HydrophobicContact CG-CG2 4.4Å; L273-V456 HydrophobicContact CD1-CG2 4.17Å; I451-V456 HydrophobicContact CG2-CG2 3.72Å; T452-V456 PolarHBondContact O-N 3.5Å; T452-V456 VanDerWaalsContact O-N 3.11Å; K454-V456 VanDerWaalsContact C-N 3.35Å; K454-V456 PolarHBondContact O-N 3.12Å; V456-E458 PolarHBondContact O-N 3.46Å; V456-A459 PolarHBondContact O-N 2.88Å; V456-R460 WeakPolarHBondContact O-CB 3.38Å; V456-R460 PolarHBondContact O-N 3.23Å
457R89Confident86.8Confident176 Ų17674.3 Ų74.366%0.66433%0.332SS*.Hα-helixtrans-63-42.3177.8-177.9176.4177168.5-2.7111.8R453 K454 V455 R460 L461R453-R457 WeakPolarHBondContact O-CB 3.47Å; R453-R457 PolarHBondContact O-N 3.48Å; K454-R457 PolarHBondContact O-N 3.19Å; V455-R457 PolarHBondContact O-N 3.44Å; R457-R460 PolarHBondContact O-N 3.02Å; R457-L461 HydrophobicContact CG-CD1 4.21Å; R457-L461 WeakPolarHBondContact O-CB 3.28Å; R457-L461 VanDerWaalsContact O-CG 3.26Å; R457-L461 WeakPolarHBondContact O-CG 3.29Å; R457-L461 PolarHBondContact O-N 3.39Å
458E87Confident86.6Confident54 Ų5477.3 Ų77.325%0.25235%0.347SS..Hα-helixtrans-66.2-41.1178.2-74.1169.6173.200112.1K454 V455 V456 L461 K462 L494K454-E458 WeakPolarHBondContact CE-OE1 3.36Å; K454-E458 WeakPolarHBondContact O-CB 3.48Å; K454-E458 WeakPolarHBondContact O-CG 3.38Å; K454-E458 PolarHBondContact O-N 3.2Å; V455-E458 PolarHBondContact O-N 3.41Å; V456-E458 PolarHBondContact O-N 3.46Å; E458-L461 PolarHBondContact O-N 2.78Å; E458-K462 WeakPolarHBondContact O-CB 3.29Å; E458-K462 PolarHBondContact O-N 3.29Å; E458-L494 HydrophobicContact CB-CD1 3.49Å; E458-L494 VanDerWaalsContact CB-CD1 3.49Å; E458-L494 HydrophobicContact CG-CD1 4Å; E458-L494 WeakPolarHBondContact OE2-CD1 3.27Å; E458-L494 WeakPolarHBondContact OE2-CD2 3.38Å
459A87.2Confident86.3Confident24 Ų2479 Ų7920%0.19836%0.356CS..Hα-helixtrans-62.4-43.9175.300000111.9L273 V455 V456 K462 E463L273-A459 HydrophobicContact CD1-CB 3.94Å; L273-A459 HydrophobicContact CD2-CB 3.96Å; L273-A459 HydrophobicContact CG-CB 4.32Å; V455-A459 WeakPolarHBondContact O-CB 3.49Å; V455-A459 PolarHBondContact O-N 2.97Å; V456-A459 PolarHBondContact O-N 2.88Å; A459-K462 WeakPolarHBondContact O-CB 3.24Å; A459-K462 PolarHBondContact O-N 3.22Å; A459-E463 PolarHBondContact O-N 3.38Å; A459-E463 VanDerWaalsContact O-N 3.1Å
460R88.1Confident86.1Confident35 Ų3574.7 Ų74.713%0.13235%0.348CS..Hα-helixtrans-61.9-46.3174.3176.7173.8165.8-165.9-9.4112.2D266 Y269 E288 V456 R457 K462 E463 I464D266-R460 IonicContact OD1-NH1 3.49Å; D266-R460 PolarHBondContact OD1-NH1 3.1Å; Y269-R460 HydrophobicContact CD1-CB 4.24Å; Y269-R460 HydrophobicContact CD2-CB 4.05Å; Y269-R460 HydrophobicContact CD2-CG 4.17Å; Y269-R460 HydrophobicContact CE1-CB 4.04Å; Y269-R460 HydrophobicContact CE1-CG 4.48Å; Y269-R460 HydrophobicContact CE2-CB 3.85Å; Y269-R460 HydrophobicContact CE2-CG 3.61Å; Y269-R460 HydrophobicContact CG-CB 4.26Å; E288-R460 VanDerWaalsContact CD-CZ 3.44Å; E288-R460 IonicContact OE1-CZ 2.82Å; E288-R460 IonicContact OE1-NE 3.99Å; E288-R460 PolarHBondContact OE1-NE 2.72Å; E288-R460 IonicContact OE1-NH1 2.65Å; E288-R460 IonicContact OE1-NH2 3.93Å; E288-R460 PolarHBondContact OE1-NH2 3.18Å; E288-R460 IonicContact OE2-CZ 2.78Å; E288-R460 IonicContact OE2-NE 2.72Å; E288-R460 PolarHBondContact OE2-NE 2.63Å; E288-R460 IonicContact OE2-NH2 3.07Å; E288-R460 PolarHBondContact OE2-NH2 3.17Å; V456-R460 WeakPolarHBondContact O-CB 3.38Å; V456-R460 PolarHBondContact O-N 3.23Å; R457-R460 PolarHBondContact O-N 3.02Å; R460-K462 VanDerWaalsContact C-N 3.29Å; R460-K462 PolarHBondContact O-N 3.44Å; R460-E463 PolarHBondContact O-N 3.41Å; R460-I464 HydrophobicContact CG-CD1 4.04Å; R460-I464 WeakPolarHBondContact O-CG1 3.38Å; R460-I464 PolarHBondContact O-N 3.13Å; R460-I464 VanDerWaalsContact O-N 3.09Å
461L86.8Confident85.8Confident72 Ų7272 Ų7238%0.37734%0.34SS..Hα-helixtrans-61.1-39.1175.7-74.3173.8000111.7R457 E458 I464 K465R457-L461 HydrophobicContact CG-CD1 4.21Å; R457-L461 WeakPolarHBondContact O-CB 3.28Å; R457-L461 VanDerWaalsContact O-CG 3.26Å; R457-L461 WeakPolarHBondContact O-CG 3.29Å; R457-L461 PolarHBondContact O-N 3.39Å; E458-L461 PolarHBondContact O-N 2.78Å; L461-I464 PolarHBondContact O-N 2.9Å; L461-K465 WeakPolarHBondContact O-CB 3.04Å; L461-K465 WeakPolarHBondContact O-CG 3.48Å; L461-K465 PolarHBondContact O-N 2.9Å
462K84.8Confident85.2Confident121 Ų12177.8 Ų77.853%0.52637%0.367SS..Hα-helixtrans-61.8-44.1177.5-176.7-178.1178.6-177.20111.9E458 A459 R460 K465 I466E458-K462 WeakPolarHBondContact O-CB 3.29Å; E458-K462 PolarHBondContact O-N 3.29Å; A459-K462 WeakPolarHBondContact O-CB 3.24Å; A459-K462 PolarHBondContact O-N 3.22Å; R460-K462 VanDerWaalsContact C-N 3.29Å; R460-K462 PolarHBondContact O-N 3.44Å; K462-K465 PolarHBondContact O-N 2.96Å; K462-I466 HydrophobicContact CG-CD1 4.17Å; K462-I466 WeakPolarHBondContact O-CG1 3.45Å; K462-I466 PolarHBondContact O-N 2.97Å
463E84.8Confident84.3Confident34 Ų3480.4 Ų80.416%0.15937%0.368CS..Hα-helixtrans-65.3-46.3178.7-173163.9-130.200111.6Y269 R272 L284 L289 A459 R460 K465 I466 E467Y269-E463 WeakPolarHBondContact CE1-OE2 3.38Å; Y269-E463 PolarHBondContact OH-OE2 3.34Å; R272-E463 IonicContact CZ-OE1 3.22Å; R272-E463 VanDerWaalsContact NH1-CD 3.28Å; R272-E463 IonicContact NH1-OE1 3.08Å; R272-E463 PolarHBondContact NH1-OE1 3.47Å; R272-E463 IonicContact NH1-OE2 3.47Å; R272-E463 PolarHBondContact NH1-OE2 3.48Å; R272-E463 IonicContact NH2-OE1 2.94Å; L284-E463 WeakPolarHBondContact CD2-OE2 3.46Å; L289-E463 HydrophobicContact CD2-CG 4.24Å; A459-E463 PolarHBondContact O-N 3.38Å; A459-E463 VanDerWaalsContact O-N 3.1Å; R460-E463 PolarHBondContact O-N 3.41Å; E463-K465 VanDerWaalsContact C-N 3.29Å; E463-K465 PolarHBondContact O-N 2.85Å; E463-I466 PolarHBondContact O-N 2.77Å; E463-E467 WeakPolarHBondContact O-CG 3.44Å; E463-E467 PolarHBondContact O-N 2.69Å
464I84.9Confident83.8Confident50 Ų5071.5 Ų71.526%0.25634%0.338SS..Hα-helixtrans-59.2-42175-65168000110.6R460 L461 I466 E467 L468R460-I464 HydrophobicContact CG-CD1 4.04Å; R460-I464 WeakPolarHBondContact O-CG1 3.38Å; R460-I464 PolarHBondContact O-N 3.13Å; R460-I464 VanDerWaalsContact O-N 3.09Å; L461-I464 PolarHBondContact O-N 2.9Å; I464-I466 PolarHBondContact O-N 2.88Å; I464-E467 PolarHBondContact O-N 3.35Å; I464-L468 HydrophobicContact CG2-CD1 3.99Å; I464-L468 HydrophobicContact CG2-CG 4.25Å; I464-L468 VanDerWaalsContact O-CG 3.24Å; I464-L468 WeakPolarHBondContact O-CG 3.39Å; I464-L468 PolarHBondContact O-N 3.33Å
465K83.6Confident83.3Confident56 Ų5670 Ų7024%0.24333%0.332CS..Hα-helixtrans-60.7-43.2176.9-75.6170.5-175.7178.80112.5L461 K462 E463 E467 L468 L469 L488 D491L461-K465 WeakPolarHBondContact O-CB 3.04Å; L461-K465 WeakPolarHBondContact O-CG 3.48Å; L461-K465 PolarHBondContact O-N 2.9Å; K462-K465 PolarHBondContact O-N 2.96Å; E463-K465 VanDerWaalsContact C-N 3.29Å; E463-K465 PolarHBondContact O-N 2.85Å; K465-E467 VanDerWaalsContact C-N 3.34Å; K465-L468 PolarHBondContact O-N 3.43Å; K465-L469 WeakPolarHBondContact O-CG 3.5Å; K465-L469 PolarHBondContact O-N 2.98Å; K465-L488 HydrophobicContact CD-CD2 4.45Å; K465-L488 HydrophobicContact CG-CD2 3.95Å; K465-D491 WeakPolarHBondContact CE-OD2 3.26Å; K465-D491 IonicContact NZ-OD1 3.3Å; K465-D491 IonicContact NZ-OD2 3.07Å; K465-D491 PolarHBondContact NZ-OD2 2.9Å
466I83Confident82.9Confident82 Ų8270.1 Ų70.142%0.42134%0.339SS..Hα-helixtrans-63.1-43.9176.8-68164.3000110.3K462 E463 I464 L468 L469 N470K462-I466 HydrophobicContact CG-CD1 4.17Å; K462-I466 WeakPolarHBondContact O-CG1 3.45Å; K462-I466 PolarHBondContact O-N 2.97Å; E463-I466 PolarHBondContact O-N 2.77Å; I464-I466 PolarHBondContact O-N 2.88Å; I466-L468 VanDerWaalsContact C-N 3.33Å; I466-L468 PolarHBondContact O-N 3.02Å; I466-L469 PolarHBondContact O-N 3.41Å; I466-N470 WeakPolarHBondContact O-CB 3.24Å; I466-N470 VanDerWaalsContact O-CG 3.25Å; I466-N470 PolarHBondContact O-N 3.31Å; I466-N470 PolarHBondContact O-ND2 2.53Å
467E81.6Confident82.5Confident49 Ų4974.7 Ų74.723%0.22936%0.356CS..Hα-helixtrans-62.1-38.9175.3-71.3-68168.300112.2L289 S293 E463 I464 K465 N470 S471L289-E467 HydrophobicContact CD2-CG 4.2Å; S293-E467 WeakPolarHBondContact CB-OE1 3.38Å; S293-E467 PolarHBondContact OG-OE1 3.27Å; E463-E467 WeakPolarHBondContact O-CG 3.44Å; E463-E467 PolarHBondContact O-N 2.69Å; I464-E467 PolarHBondContact O-N 3.35Å; K465-E467 VanDerWaalsContact C-N 3.34Å; E467-N470 PolarHBondContact O-N 3.09Å; E467-S471 PolarHBondContact O-N 3.49Å
468L83.1Confident82.2Confident66 Ų6667.2 Ų67.235%0.34633%0.328SS..Hα-helixtrans-64.1-44.3175.2-71.2169.8000111.8I464 K465 I466 N470 S471 L474I464-L468 HydrophobicContact CG2-CD1 3.99Å; I464-L468 HydrophobicContact CG2-CG 4.25Å; I464-L468 VanDerWaalsContact O-CG 3.24Å; I464-L468 WeakPolarHBondContact O-CG 3.39Å; I464-L468 PolarHBondContact O-N 3.33Å; K465-L468 PolarHBondContact O-N 3.43Å; I466-L468 VanDerWaalsContact C-N 3.33Å; I466-L468 PolarHBondContact O-N 3.02Å; L468-N470 VanDerWaalsContact C-N 3.29Å; L468-N470 PolarHBondContact O-N 2.63Å; L468-S471 VanDerWaalsContact O-CB 3.25Å; L468-S471 WeakPolarHBondContact O-CB 3.44Å; L468-S471 PolarHBondContact O-N 3.48Å; L468-L474 HydrophobicContact CB-CD1 4.13Å; L468-L474 HydrophobicContact CD2-CD1 3.47Å; L468-L474 VanDerWaalsContact CD2-CD1 3.47Å; L468-L474 HydrophobicContact CG-CD1 4.4Å
469L81.2Confident82Confident58 Ų5871.6 Ų71.630%0.30435%0.349SS..Hα-helixtrans-64.9-33.7177.3-70.8171.6000112.4K465 I466 S471 L488K465-L469 WeakPolarHBondContact O-CG 3.5Å; K465-L469 PolarHBondContact O-N 2.98Å; I466-L469 PolarHBondContact O-N 3.41Å; L469-S471 VanDerWaalsContact C-N 3.32Å; L469-L488 HydrophobicContact CD2-CB 4.21Å; L469-L488 HydrophobicContact CD2-CD1 4.37Å
470N82Confident81.9Confident106 Ų10676.7 Ų76.757%0.56737%0.373SS*.Hα-helixtrans-81.2-13.5177.7-68.7-20.3000113.1I466 E467 L468 E472I466-N470 WeakPolarHBondContact O-CB 3.24Å; I466-N470 VanDerWaalsContact O-CG 3.25Å; I466-N470 PolarHBondContact O-N 3.31Å; I466-N470 PolarHBondContact O-ND2 2.53Å; E467-N470 PolarHBondContact O-N 3.09Å; L468-N470 VanDerWaalsContact C-N 3.29Å; L468-N470 PolarHBondContact O-N 2.63Å; N470-E472 PolarHBondContact O-N 3.47Å
471S80Confident81.7Confident35 Ų3578.8 Ų78.825%0.24538%0.384CS..  trans-64.8116.3-177.4-176.10000111.1E467 L468 L469 R473 L474 K475E467-S471 PolarHBondContact O-N 3.49Å; L468-S471 VanDerWaalsContact O-CB 3.25Å; L468-S471 WeakPolarHBondContact O-CB 3.44Å; L468-S471 PolarHBondContact O-N 3.48Å; L469-S471 VanDerWaalsContact C-N 3.32Å; S471-R473 PolarHBondContact O-N 3.08Å; S471-L474 PolarHBondContact O-N 2.84Å; S471-K475 PolarHBondContact O-N 3.27Å
472E75.4Confident81.5Confident129 Ų12980 Ų8060%0.60339%0.39SS*.Hα-helixtrans-56.5-31.8174.8-64.7171.5153.100112.2K292 N470 K475K292-E472 IonicContact NZ-OE2 2.77Å; K292-E472 PolarHBondContact NZ-OE2 2.86Å; K292-E472 VanDerWaalsContact NZ-OE2 3.13Å; N470-E472 PolarHBondContact O-N 3.47Å; E472-K475 WeakPolarHBondContact O-CB 3.2Å; E472-K475 PolarHBondContact O-N 3.37Å
473R69.8Low81.4Confident124 Ų12478.4 Ų78.447%0.46839%0.392SS..Hα-helixtrans-67.2-39.4-178.9-66174167.3-121.8-42.5112.4H118 D119 S471 K475H118-R473 PolarHBondContact CD2-NH1 3.23Å; H118-R473 PolarHBondContact CD2-NH2 3.21Å; H118-R473 VanDerWaalsContact CG-CZ 3.41Å; D119-R473 IonicContact OD2-NH2 3Å; D119-R473 PolarHBondContact OD2-NH2 3.07Å; S471-R473 PolarHBondContact O-N 3.08Å; R473-K475 VanDerWaalsContact C-N 3.29Å
474L77.4Confident81.2Confident47 Ų4779.9 Ų79.925%0.24640%0.401CS..Hα-helixtrans-84.8-8.1-177.3-64.1174.6000112L468 S471 G476 Y477 F478L468-L474 HydrophobicContact CB-CD1 4.13Å; L468-L474 HydrophobicContact CD2-CD1 3.47Å; L468-L474 VanDerWaalsContact CD2-CD1 3.47Å; L468-L474 HydrophobicContact CG-CD1 4.4Å; S471-L474 PolarHBondContact O-N 2.84Å; L474-G476 VanDerWaalsContact C-N 3.27Å; L474-G476 PolarHBondContact O-N 3.47Å; L474-Y477 PolarHBondContact O-N 2.81Å; L474-F478 HydrophobicContact CB-CD2 3.72Å; L474-F478 HydrophobicContact CB-CE2 3.38Å; L474-F478 HydrophobicContact CB-CZ 4.04Å; L474-F478 HydrophobicContact CD1-CE2 4.11Å; L474-F478 HydrophobicContact CD1-CZ 4.14Å; L474-F478 HydrophobicContact CG-CE2 4.36Å; L474-F478 WeakPolarHBondContact O-CB 3.37Å; L474-F478 WeakPolarHBondContact O-CD2 3.3Å; L474-F478 VanDerWaalsContact O-CG 3.3Å; L474-F478 WeakPolarHBondContact O-CG 3.04Å; L474-F478 PolarHBondContact O-N 3.13Å
475K79.5Confident80.9Confident113 Ų11379 Ų7949%0.49140%0.397SS..Hα-helixtrans-56.3-43.2174.6-69.3-178.8-177.7174.30111.6S471 E472 R473 Q479S471-K475 PolarHBondContact O-N 3.27Å; E472-K475 WeakPolarHBondContact O-CB 3.2Å; E472-K475 PolarHBondContact O-N 3.37Å; R473-K475 VanDerWaalsContact C-N 3.29Å; K475-Q479 WeakPolarHBondContact O-CG 3.49Å; K475-Q479 PolarHBondContact O-N 3.3Å
476G80.5Confident80.6Confident33 Ų3380.9 Ų80.934%0.3441%0.406SS..Hα-helixtrans-65-47.5174.700000112L474 F478 Q479 D480L474-G476 VanDerWaalsContact C-N 3.27Å; L474-G476 PolarHBondContact O-N 3.47Å; G476-F478 VanDerWaalsContact C-N 3.33Å; G476-F478 PolarHBondContact O-N 3.46Å; G476-Q479 WeakPolarHBondContact O-CB 3.41Å; G476-Q479 PolarHBondContact O-N 3.3Å; G476-Q479 VanDerWaalsContact O-N 3.08Å; G476-D480 PolarHBondContact O-N 3.38Å; G476-D480 VanDerWaalsContact O-N 3.12Å
477Y82.6Confident80.4Confident104 Ų10479.9 Ų79.941%0.40841%0.41SS..Hα-helixtrans-58.4-42.9177.5-178.9-98.7000113.1L474 Q479 D480 H481 D484L474-Y477 PolarHBondContact O-N 2.81Å; Y477-Q479 VanDerWaalsContact C-N 3.31Å; Y477-Q479 PolarHBondContact O-N 3.38Å; Y477-D480 PolarHBondContact O-N 3.12Å; Y477-H481 HydrophobicContact CD1-CB 4.47Å; Y477-H481 AromaticContact CD2-ND1 3.69Å; Y477-H481 HydrophobicContact CE1-CB 4.04Å; Y477-H481 AromaticContact CE2-CE1 3.6Å; Y477-H481 AromaticContact CE2-CG 3.83Å; Y477-H481 AromaticContact CE2-ND1 3.43Å; Y477-H481 WeakPolarHBondContact CE2-ND1 3.29Å; Y477-H481 AromaticContact CZ-CG 3.74Å; Y477-H481 AromaticContact CZ-ND1 3.83Å; Y477-H481 WeakPolarHBondContact O-CB 3.38Å; Y477-H481 PolarHBondContact O-N 2.91Å; Y477-H481 PolarHBondContact O-ND1 3.2Å; Y477-D484 PolarHBondContact OH-OD2 3.36Å; Y477-D484 VanDerWaalsContact OH-OD2 3.1Å
478F83.1Confident80Confident19 Ų1979.5 Ų79.58%0.08341%0.41CS..Hα-helixtrans-73.8-20.4178.4-68.2-46.5000113.6L474 G476 L485 L488L474-F478 HydrophobicContact CB-CD2 3.72Å; L474-F478 HydrophobicContact CB-CE2 3.38Å; L474-F478 HydrophobicContact CB-CZ 4.04Å; L474-F478 HydrophobicContact CD1-CE2 4.11Å; L474-F478 HydrophobicContact CD1-CZ 4.14Å; L474-F478 HydrophobicContact CG-CE2 4.36Å; L474-F478 WeakPolarHBondContact O-CB 3.37Å; L474-F478 WeakPolarHBondContact O-CD2 3.3Å; L474-F478 VanDerWaalsContact O-CG 3.3Å; L474-F478 WeakPolarHBondContact O-CG 3.04Å; L474-F478 PolarHBondContact O-N 3.13Å; G476-F478 VanDerWaalsContact C-N 3.33Å; G476-F478 PolarHBondContact O-N 3.46Å; F478-L485 HydrophobicContact CB-CB 4.12Å; F478-L485 HydrophobicContact CB-CD1 3.84Å; F478-L485 HydrophobicContact CD1-CB 3.86Å; F478-L485 HydrophobicContact CG-CB 4.15Å; F478-L485 HydrophobicContact CG-CD1 4.33Å; F478-L488 HydrophobicContact CE1-CD1 3.49Å; F478-L488 VanDerWaalsContact CE1-CD1 3.49Å; F478-L488 HydrophobicContact CZ-CD1 3.43Å; F478-L488 VanDerWaalsContact CZ-CD1 3.43Å
479Q82.5Confident79.6Confident146 Ų14684.5 Ų84.568%0.68242%0.424SS*.Hα-helixtrans-69.9-40168-75.8166.7-7.200110.3K475 G476 Y477K475-Q479 WeakPolarHBondContact O-CG 3.49Å; K475-Q479 PolarHBondContact O-N 3.3Å; G476-Q479 WeakPolarHBondContact O-CB 3.41Å; G476-Q479 PolarHBondContact O-N 3.3Å; G476-Q479 VanDerWaalsContact O-N 3.08Å; Y477-Q479 VanDerWaalsContact C-N 3.31Å; Y477-Q479 PolarHBondContact O-N 3.38Å
480D85.2Confident78.7Confident131 Ų13188.5 Ų88.570%0.70144%0.441SS*.Hα-helixtrans-77.9-32.4178.4-60.4-27.1000112.6G476 Y477G476-D480 PolarHBondContact O-N 3.38Å; G476-D480 VanDerWaalsContact O-N 3.12Å; Y477-D480 PolarHBondContact O-N 3.12Å
481H84Confident77.6Confident80 Ų8087.3 Ų87.337%0.3743%0.434SS..  trans-120.972.8-175-60.674.5000111.1Y477 P483 D484 L485Y477-H481 HydrophobicContact CD1-CB 4.47Å; Y477-H481 AromaticContact CD2-ND1 3.69Å; Y477-H481 HydrophobicContact CE1-CB 4.04Å; Y477-H481 AromaticContact CE2-CE1 3.6Å; Y477-H481 AromaticContact CE2-CG 3.83Å; Y477-H481 AromaticContact CE2-ND1 3.43Å; Y477-H481 WeakPolarHBondContact CE2-ND1 3.29Å; Y477-H481 AromaticContact CZ-CG 3.74Å; Y477-H481 AromaticContact CZ-ND1 3.83Å; Y477-H481 WeakPolarHBondContact O-CB 3.38Å; Y477-H481 PolarHBondContact O-N 2.91Å; Y477-H481 PolarHBondContact O-ND1 3.2Å; H481-P483 VanDerWaalsContact C-CD 3.45Å; H481-D484 HydrophobicContact CB-CB 4.37Å; H481-D484 PolarHBondContact O-N 2.92Å; H481-L485 PolarHBondContact O-N 2.94Å
482I82.3Confident76.6Confident96 Ų9694.9 Ų94.949%0.49246%0.463SS..Hα-helixtrans-57.8-41.6178.1-57.9171.2000112.9D484 L485 E486I482-D484 PolarHBondContact O-N 3.22Å; I482-L485 WeakPolarHBondContact O-CB 3.38Å; I482-L485 PolarHBondContact O-N 3.1Å; I482-L485 VanDerWaalsContact O-N 3.12Å; I482-E486 HydrophobicContact CG2-CG 4.26Å; I482-E486 PolarHBondContact O-N 2.99Å
483P82.6Confident75.6Confident89 Ų8993.8 Ų93.858%0.57847%0.467SS*.Hα-helixtrans-59.1-32.9-179.3-25.835.2000113.4H481 E486 A487H481-P483 VanDerWaalsContact C-CD 3.45Å; P483-E486 PolarHBondContact O-N 3.19Å; P483-A487 WeakPolarHBondContact O-CB 3.41Å; P483-A487 PolarHBondContact O-N 3.37Å
484D80.6Confident74.8Confident65 Ų6592.9 Ų92.935%0.34847%0.471SS..Hα-helixtrans-73.9-36.9179.9-66.4-25.4000111.6Y477 H481 I482 A487 L488Y477-D484 PolarHBondContact OH-OD2 3.36Å; Y477-D484 VanDerWaalsContact OH-OD2 3.1Å; H481-D484 HydrophobicContact CB-CB 4.37Å; H481-D484 PolarHBondContact O-N 2.92Å; I482-D484 PolarHBondContact O-N 3.22Å; D484-A487 PolarHBondContact O-N 2.99Å; D484-L488 VanDerWaalsContact O-CG 3.29Å; D484-L488 WeakPolarHBondContact O-CG 3.46Å; D484-L488 PolarHBondContact O-N 3.43Å
485L79.7Confident73.6Confident32 Ų32100 Ų10017%0.16850%0.5CS..Hα-helixtrans-64.1-43.2171.2174.1158000110.7F478 H481 I482 L488 R489F478-L485 HydrophobicContact CB-CB 4.12Å; F478-L485 HydrophobicContact CB-CD1 3.84Å; F478-L485 HydrophobicContact CD1-CB 3.86Å; F478-L485 HydrophobicContact CG-CB 4.15Å; F478-L485 HydrophobicContact CG-CD1 4.33Å; H481-L485 PolarHBondContact O-N 2.94Å; I482-L485 WeakPolarHBondContact O-CB 3.38Å; I482-L485 PolarHBondContact O-N 3.1Å; I482-L485 VanDerWaalsContact O-N 3.12Å; L485-L488 PolarHBondContact O-N 3.31Å; L485-R489 HydrophobicContact CD2-CG 4.2Å; L485-R489 WeakPolarHBondContact O-CB 3.3Å; L485-R489 WeakPolarHBondContact O-CG 3.09Å; L485-R489 PolarHBondContact O-N 3.46Å
486E77.3Confident72.5Confident95 Ų9598.6 Ų98.644%0.44450%0.495SS..Hα-helixtrans-62.7-44.3175.9-74.1-178.3175.400111.1I482 P483 L488 R489 H490I482-E486 HydrophobicContact CG2-CG 4.26Å; I482-E486 PolarHBondContact O-N 2.99Å; P483-E486 PolarHBondContact O-N 3.19Å; E486-L488 VanDerWaalsContact C-N 3.28Å; E486-L488 PolarHBondContact O-N 2.95Å; E486-R489 PolarHBondContact O-N 3.27Å; E486-R489 VanDerWaalsContact O-N 3.09Å; E486-H490 WeakPolarHBondContact O-CB 3.3Å; E486-H490 PolarHBondContact O-CD2 3.36Å; E486-H490 PolarHBondContact O-N 3.03Å
487A77.8Confident71.5Confident61 Ų61102.1 Ų102.150%0.50451%0.509SS..Hα-helixtrans-57.5-41.1175.300000112.1P483 D484P483-A487 WeakPolarHBondContact O-CB 3.41Å; P483-A487 PolarHBondContact O-N 3.37Å; D484-A487 PolarHBondContact O-N 2.99Å
488L72.9Confident70.5Confident41 Ų4198.9 Ų98.922%0.21550%0.504CS..Hα-helixtrans-70.6-31.7176.4-71.1171.1000113.4K465 L469 F478 D484 L485 E486K465-L488 HydrophobicContact CD-CD2 4.45Å; K465-L488 HydrophobicContact CG-CD2 3.95Å; L469-L488 HydrophobicContact CD2-CB 4.21Å; L469-L488 HydrophobicContact CD2-CD1 4.37Å; F478-L488 HydrophobicContact CE1-CD1 3.49Å; F478-L488 VanDerWaalsContact CE1-CD1 3.49Å; F478-L488 HydrophobicContact CZ-CD1 3.43Å; F478-L488 VanDerWaalsContact CZ-CD1 3.43Å; D484-L488 VanDerWaalsContact O-CG 3.29Å; D484-L488 WeakPolarHBondContact O-CG 3.46Å; D484-L488 PolarHBondContact O-N 3.43Å; L485-L488 PolarHBondContact O-N 3.31Å; E486-L488 VanDerWaalsContact C-N 3.28Å; E486-L488 PolarHBondContact O-N 2.95Å
489R74.4Confident69.9Low170 Ų170100.9 Ų100.964%0.64251%0.514SS*.Hα-helixtrans-80.9-33.9178.7-75.4-173.8179.5176.5-0.2113.2L485 E486 D491L485-R489 HydrophobicContact CD2-CG 4.2Å; L485-R489 WeakPolarHBondContact O-CB 3.3Å; L485-R489 WeakPolarHBondContact O-CG 3.09Å; L485-R489 PolarHBondContact O-N 3.46Å; E486-R489 PolarHBondContact O-N 3.27Å; E486-R489 VanDerWaalsContact O-N 3.09Å; R489-D491 PolarHBondContact O-N 3.01Å
490H63.3Low69.5Low142 Ų14298.4 Ų98.466%0.65751%0.51SS*.  trans-80.4-1.4-174.8-73.7-55.5000114.4E486 K492E486-H490 WeakPolarHBondContact O-CB 3.3Å; E486-H490 PolarHBondContact O-CD2 3.36Å; E486-H490 PolarHBondContact O-N 3.03Å; H490-K492 PolarHBondContact O-N 3.34Å
491D58.9Low69.2Low81 Ų8197.5 Ų97.543%0.43350%0.502SS..SBendtrans-60106.5168.4-84.2-50.4000110.5K465 R489 P493K465-D491 WeakPolarHBondContact CE-OD2 3.26Å; K465-D491 IonicContact NZ-OD1 3.3Å; K465-D491 IonicContact NZ-OD2 3.07Å; K465-D491 PolarHBondContact NZ-OD2 2.9Å; R489-D491 PolarHBondContact O-N 3.01Å; D491-P493 VanDerWaalsContact O-N 3.16Å
492K58.5Low68.8Low194 Ų19494 Ų9484%0.84349%0.486SS*.PPolyproline II helixtrans-52.5122.3176.1-73.7177179.7173.10108.5H490 L494H490-K492 PolarHBondContact O-N 3.34Å; K492-L494 PolarHBondContact O-N 3.36Å
493P55.5Low68.5Low107 Ų10794.6 Ų94.670%0.69549%0.485SS*.PPolyproline II helixtrans-59.5128.217524.2-32.4000108.5D491 K495D491-P493 VanDerWaalsContact O-N 3.16Å; P493-K495 PolarHBondContact O-N 3.18Å
494L52.5Low68.3Low104 Ų10495.9 Ų95.955%0.54549%0.487SS..PPolyproline II helixtrans-56.6125.2172-76.1151.2000108.9E458 K492 H496E458-L494 HydrophobicContact CB-CD1 3.49Å; E458-L494 VanDerWaalsContact CB-CD1 3.49Å; E458-L494 HydrophobicContact CG-CD1 4Å; E458-L494 WeakPolarHBondContact OE2-CD1 3.27Å; E458-L494 WeakPolarHBondContact OE2-CD2 3.38Å; K492-L494 PolarHBondContact O-N 3.36Å; L494-H496 PolarHBondContact O-N 3.2Å
495K51Low68Low197 Ų19793.1 Ų93.186%0.85747%0.473SS*.  trans-71.265.7161.4-71.5-175.8178.8-179.40108.4P493 V497P493-K495 PolarHBondContact O-N 3.18Å; K495-V497 HydrophobicContact CB-CG2 4.26Å; K495-V497 PolarHBondContact O-N 3.34Å
496H57.9Low67.9Low83 Ų8393.3 Ų93.338%0.38448%0.476SS..  trans-72.794156.7-166-78.7000106E277 L494 A498E277-H496 VanDerWaalsContact CD-CE1 3.45Å; E277-H496 IonicContact OE1-CE1 3.75Å; E277-H496 PolarHBondContact OE1-CE1 3.18Å; E277-H496 IonicContact OE1-ND1 3.93Å; E277-H496 PolarHBondContact OE1-ND1 3.17Å; E277-H496 VanDerWaalsContact OE1-ND1 3.08Å; L494-H496 PolarHBondContact O-N 3.2Å; H496-A498 VanDerWaalsContact C-N 3.33Å; H496-A498 PolarHBondContact O-N 3.06Å
497V57.9Low67.7Low107 Ų10794.2 Ų94.265%0.64848%0.484SS*.  trans-79.892.6177.2-176.10000106.4K495 Q499K495-V497 HydrophobicContact CB-CG2 4.26Å; K495-V497 PolarHBondContact O-N 3.34Å; V497-Q499 PolarHBondContact O-N 2.79Å; V497-Q499 VanDerWaalsContact O-N 3.16Å
498A61.5Low67.8Low37 Ų3799.7 Ų99.731%0.30649%0.492SS..  trans-52.6123.4170.700000108.5E277 H496 P500E277-A498 WeakPolarHBondContact OE1-CA 3.31Å; E277-A498 VanDerWaalsContact OE1-CB 3.26Å; E277-A498 WeakPolarHBondContact OE1-CB 3.47Å; E277-A498 VanDerWaalsContact OE2-CA 3.29Å; E277-A498 WeakPolarHBondContact OE2-CA 3.33Å; H496-A498 VanDerWaalsContact C-N 3.33Å; H496-A498 PolarHBondContact O-N 3.06Å; A498-P500 VanDerWaalsContact O-CD 3.31Å; A498-P500 WeakPolarHBondContact O-CD 3.37Å
499Q70.7Confident67.9Low60 Ų6098.6 Ų98.628%0.2849%0.486SS..  trans-74.7113.9-172.9-75.9-177.95.500108.9E277 V497 H501 L502E277-Q499 PolarHBondContact OE2-N 3.31Å; V497-Q499 PolarHBondContact O-N 2.79Å; V497-Q499 VanDerWaalsContact O-N 3.16Å; Q499-H501 PolarHBondContact O-N 3.27Å; Q499-H501 VanDerWaalsContact O-N 3.08Å; Q499-H501 PolarHBondContact OE1-CE1 3.32Å; Q499-H501 PolarHBondContact OE1-NE2 2.89Å; Q499-L502 HydrophobicContact CB-CD1 3.78Å; Q499-L502 PolarHBondContact O-N 2.67Å; Q499-L502 VanDerWaalsContact O-N 3.14Å
500P74.1Confident67.8Low94 Ų9490.7 Ų90.761%0.6146%0.457SS*.G310 helixtrans-63.6-25.8-168.323.7-33.6000113.2A498 L502 K503A498-P500 VanDerWaalsContact O-CD 3.31Å; A498-P500 WeakPolarHBondContact O-CD 3.37Å; P500-L502 VanDerWaalsContact C-N 3.3Å; P500-L502 PolarHBondContact O-N 3.2Å; P500-K503 WeakPolarHBondContact O-CB 3.4Å; P500-K503 PolarHBondContact O-N 3.39Å
501H79.4Confident68.2Low113 Ų11384.1 Ų84.152%0.52343%0.427SS..G310 helixtrans-71.1-21.5-178.765.1-99.3000113.7Q499 K503 D504Q499-H501 PolarHBondContact O-N 3.27Å; Q499-H501 VanDerWaalsContact O-N 3.08Å; Q499-H501 PolarHBondContact OE1-CE1 3.32Å; Q499-H501 PolarHBondContact OE1-NE2 2.89Å; H501-K503 PolarHBondContact O-N 3.45Å; H501-D504 PolarHBondContact O-N 3.03Å
502L76.3Confident68.8Low6 Ų685.6 Ų85.63%0.03144%0.441CS..G310 helixtrans-72.8-18175.5-87.9145.2000112.8F278 R443 V447 Q499 P500 D504F278-L502 HydrophobicContact CD1-CD2 4.24Å; F278-L502 HydrophobicContact CE1-CD2 3.48Å; F278-L502 VanDerWaalsContact CE1-CD2 3.48Å; F278-L502 HydrophobicContact CZ-CD2 3.68Å; R443-L502 HydrophobicContact CB-CD2 4.3Å; V447-L502 HydrophobicContact CG2-CD1 3.82Å; V447-L502 HydrophobicContact CG2-CD2 3.64Å; V447-L502 HydrophobicContact CG2-CG 4.37Å; Q499-L502 HydrophobicContact CB-CD1 3.78Å; Q499-L502 PolarHBondContact O-N 2.67Å; Q499-L502 VanDerWaalsContact O-N 3.14Å; P500-L502 VanDerWaalsContact C-N 3.3Å; P500-L502 PolarHBondContact O-N 3.2Å; L502-D504 VanDerWaalsContact C-N 3.33Å
503K75.8Confident69.3Low109 Ų10979.7 Ų79.747%0.47442%0.424SS..G310 helixtrans-69.1-33.5175.9-62.7-178.6179.9176.70111.9K250 P500 H501K250-K503 PolarHBondContact NZ-O 2.99Å; P500-K503 WeakPolarHBondContact O-CB 3.4Å; P500-K503 PolarHBondContact O-N 3.39Å; H501-K503 PolarHBondContact O-N 3.45Å
504D78.3Confident69.8Low115 Ų11574.8 Ų74.862%0.61539%0.392SS*.SBendtrans-93.3142.7-179-157.510000111.6R443 H501 L502 P506R443-D504 PolarHBondContact NH1-O 2.81Å; H501-D504 PolarHBondContact O-N 3.03Å; L502-D504 VanDerWaalsContact C-N 3.33Å; D504-P506 VanDerWaalsContact O-CD 3.29Å; D504-P506 WeakPolarHBondContact O-CD 3.26Å
505V75.2Confident70.7Confident8 Ų874.5 Ų74.55%0.04839%0.386CS..  trans-11199.3178.1178.90000107.5K250 F440 L509 V510 M518K250-V505 HydrophobicContact CB-CG2 4.08Å; K250-V505 HydrophobicContact CD-CG2 3.71Å; K250-V505 HydrophobicContact CG-CG2 3.9Å; F440-V505 HydrophobicContact CE1-CG1 3.98Å; F440-V505 HydrophobicContact CE1-CG2 4.14Å; F440-V505 HydrophobicContact CZ-CG1 3.64Å; V505-L509 HydrophobicContact CG1-CB 4.26Å; V505-V510 HydrophobicContact CG1-CG2 4.07Å; V505-M518 HydrophobicContact CB-CE 4.24Å
506P76.2Confident71.5Confident36 Ų3669.4 Ų69.423%0.23438%0.381CS..  trans-53.1143.5174.9-29.834.1000113.5R443 D504 Y508 L509R443-P506 VanDerWaalsContact NH2-CG 3.35Å; D504-P506 VanDerWaalsContact O-CD 3.29Å; D504-P506 WeakPolarHBondContact O-CD 3.26Å; P506-Y508 HydrophobicContact CB-CD1 3.52Å; P506-Y508 HydrophobicContact CB-CE1 3.16Å; P506-Y508 HydrophobicContact CB-CG 4.39Å; P506-Y508 HydrophobicContact CG-CE1 3.85Å; P506-Y508 PolarHBondContact O-N 3.46Å; P506-L509 HydrophobicContact CB-CD1 4.49Å; P506-L509 HydrophobicContact CG-CD1 4.35Å; P506-L509 WeakPolarHBondContact O-CB 3.44Å; P506-L509 PolarHBondContact O-N 2.71Å
507D74.2Confident71.8Confident114 Ų11467.8 Ų67.861%0.6138%0.375SS*.G310 helixtrans-57.7-23.5-175-70.4-23000114.6K515D507-K515 VanDerWaalsContact O-CE 3.29Å; D507-K515 WeakPolarHBondContact O-CE 3.43Å
508Y78.7Confident72Confident176 Ų17664.3 Ų64.369%0.6935%0.352SS*.G310 helixtrans-77-20.2178.866.9-98.7000113.4P506 V510P506-Y508 HydrophobicContact CB-CD1 3.52Å; P506-Y508 HydrophobicContact CB-CE1 3.16Å; P506-Y508 HydrophobicContact CB-CG 4.39Å; P506-Y508 HydrophobicContact CG-CE1 3.85Å; P506-Y508 PolarHBondContact O-N 3.46Å; Y508-V510 VanDerWaalsContact C-N 3.26Å
509L75.8Confident71.6Confident17 Ų1766.7 Ų66.79%0.08937%0.365CS..G310 helixtrans-82.1-10.1175.8-63.9173.3000112.6F440 V505 P506 P511F440-L509 HydrophobicContact CE2-CB 4.38Å; F440-L509 WeakPolarHBondContact CE2-O 3.25Å; V505-L509 HydrophobicContact CG1-CB 4.26Å; P506-L509 HydrophobicContact CB-CD1 4.49Å; P506-L509 HydrophobicContact CG-CD1 4.35Å; P506-L509 WeakPolarHBondContact O-CB 3.44Å; P506-L509 PolarHBondContact O-N 2.71Å; L509-P511 WeakPolarHBondContact O-CD 3.36Å
510V71.5Confident70.7Confident5 Ų565.1 Ų65.13%0.0337%0.365CS..SBendtrans-91.1119.4-173.5-170.90000108L251 V505 Y508 L514 K515 M518L251-V510 HydrophobicContact CD2-CG1 3.95Å; V505-V510 HydrophobicContact CG1-CG2 4.07Å; Y508-V510 VanDerWaalsContact C-N 3.26Å; V510-L514 HydrophobicContact CG1-CB 4.43Å; V510-K515 HydrophobicContact CB-CG 4.11Å; V510-K515 HydrophobicContact CG1-CG 3.85Å; V510-K515 WeakPolarHBondContact O-CE 3.42Å; V510-M518 HydrophobicContact CB-SD 4.02Å; V510-M518 HydrophobicContact CG1-CG 4.04Å; V510-M518 HydrophobicContact CG1-SD 3.65Å; V510-M518 HydrophobicContact CG2-CE 4.4Å; V510-M518 HydrophobicContact CG2-SD 3.14Å; V510-M518 WeakPolarHBondContact CG2-SD 3.13Å
511P72.1Confident69.2Low4 Ų464 Ų643%0.02636%0.359CS..  trans-52.4138.1174.6-2734.7000110.4E436 L509 S513 L514 K515E436-P511 HydrophobicContact CB-CB 4.3Å; E436-P511 HydrophobicContact CB-CG 4.05Å; L509-P511 WeakPolarHBondContact O-CD 3.36Å; P511-S513 PolarHBondContact O-N 2.89Å; P511-L514 HydrophobicContact CG-CD1 4.34Å; P511-L514 PolarHBondContact O-N 2.92Å; P511-K515 PolarHBondContact O-N 2.98Å
512P71.7Confident67.2Low112 Ų11264.5 Ų64.573%0.72737%0.374SS*.THydrogen-bonded Turntrans-52.4-33.3-179.8-27.334000113.2L514P512-L514 VanDerWaalsContact C-N 3.26Å; P512-L514 PolarHBondContact O-N 3.44Å
513S69.1Low65.5Low70 Ų7072.6 Ų72.649%0.4941%0.411SS..THydrogen-bonded Turntrans-61.4-27.6176.251.50000114P511P511-S513 PolarHBondContact O-N 2.89Å
514L66.4Low63.8Low3 Ų370.6 Ų70.62%0.01641%0.411CS..THydrogen-bonded Turntrans-112.1-3.2-172.9-60.7177000113.6L251 I253 V510 P511 P512 A516 L517 F572L251-L514 HydrophobicContact CB-CD1 4.26Å; L251-L514 HydrophobicContact CD1-CD1 3.56Å; L251-L514 HydrophobicContact CD2-CB 4.45Å; L251-L514 HydrophobicContact CD2-CD1 4.46Å; L251-L514 HydrophobicContact CG-CD1 4.29Å; I253-L514 HydrophobicContact CD1-CD1 4.17Å; V510-L514 HydrophobicContact CG1-CB 4.43Å; P511-L514 HydrophobicContact CG-CD1 4.34Å; P511-L514 PolarHBondContact O-N 2.92Å; P512-L514 VanDerWaalsContact C-N 3.26Å; P512-L514 PolarHBondContact O-N 3.44Å; L514-A516 PolarHBondContact O-N 3.23Å; L514-A516 VanDerWaalsContact O-N 3.1Å; L514-L517 HydrophobicContact CD2-CD1 3.57Å; L514-L517 WeakPolarHBondContact O-CB 3.46Å; L514-L517 PolarHBondContact O-N 3.47Å; L514-F572 HydrophobicContact CD1-CD2 4.37Å; L514-F572 HydrophobicContact CD1-CE2 3.61Å; L514-F572 HydrophobicContact CD1-CZ 4.37Å; L514-F572 HydrophobicContact CD2-CD2 4.25Å; L514-F572 HydrophobicContact CD2-CE2 4.2Å; L514-F572 HydrophobicContact CG-CD2 4.45Å; L514-F572 HydrophobicContact CG-CE2 3.91Å
515K70.9Confident62Low98 Ų9873.8 Ų73.843%0.42641%0.414SS..G310 helixtrans-54.1-31.6175.3-75.5-173.1177.7-175.50112.8D507 V510 P511 L517 M518D507-K515 VanDerWaalsContact O-CE 3.29Å; D507-K515 WeakPolarHBondContact O-CE 3.43Å; V510-K515 HydrophobicContact CB-CG 4.11Å; V510-K515 HydrophobicContact CG1-CG 3.85Å; V510-K515 WeakPolarHBondContact O-CE 3.42Å; P511-K515 PolarHBondContact O-N 2.98Å; K515-L517 VanDerWaalsContact C-N 3.28Å; K515-L517 PolarHBondContact O-N 3.41Å; K515-M518 PolarHBondContact O-N 2.89Å
516A67.1Low60.5Low91 Ų9182 Ų8275%0.75245%0.45SS*.G310 helixtrans-67.9-22.4176.700000114.4L514L514-A516 PolarHBondContact O-N 3.23Å; L514-A516 VanDerWaalsContact O-N 3.1Å
517L65.2Low58.7Low49 Ų4983.2 Ų83.226%0.25746%0.462SS..G310 helixtrans-88.3-12.7-179.7-72.8158.9000112.6L514 K515 P568L514-L517 HydrophobicContact CD2-CD1 3.57Å; L514-L517 WeakPolarHBondContact O-CB 3.46Å; L514-L517 PolarHBondContact O-N 3.47Å; K515-L517 VanDerWaalsContact C-N 3.28Å; K515-L517 PolarHBondContact O-N 3.41Å; L517-P568 HydrophobicContact CD1-CB 4.34Å
518M62Low57.2Low34 Ų3480.7 Ų80.717%0.16745%0.451CS..SBendtrans-82134.6-178.9-75.7-152.962.900112.7L251 V505 V510 K515 G520L251-M518 HydrophobicContact CD2-SD 4.44Å; V505-M518 HydrophobicContact CB-CE 4.24Å; V510-M518 HydrophobicContact CB-SD 4.02Å; V510-M518 HydrophobicContact CG1-CG 4.04Å; V510-M518 HydrophobicContact CG1-SD 3.65Å; V510-M518 HydrophobicContact CG2-CE 4.4Å; V510-M518 HydrophobicContact CG2-SD 3.14Å; V510-M518 WeakPolarHBondContact CG2-SD 3.13Å; K515-M518 PolarHBondContact O-N 2.89Å; M518-G520 VanDerWaalsContact C-N 3.28Å; M518-G520 PolarHBondContact O-N 3.39Å
519P53.4Low55.5Low87 Ų8777.8 Ų77.857%0.56544%0.444SS*.THydrogen-bonded Turntrans-74.579.9175.333.6-36000109.8
520G52.1Low53.8Low27 Ų2785.1 Ų85.128%0.27847%0.47SS..THydrogen-bonded Turntrans-178.9-20.4-17800000116.7M518 C522M518-G520 VanDerWaalsContact C-N 3.28Å; M518-G520 PolarHBondContact O-N 3.39Å; G520-C522 PolarHBondContact O-N 3.41Å
521S41.9Very low52.3Low69 Ų6992.6 Ų92.648%0.48350%0.498SS..SBendtrans-59.1129.6-179.966.50000111.3H523 S524S521-H523 PolarHBondContact O-N 2.93Å; S521-S524 PolarHBondContact O-N 3.3Å
522C37.1Very low51Low125 Ų12598.2 Ų98.285%0.84552%0.522SS*.THydrogen-bonded Turntrans-49.67.5-158.7-132.70000120.1G520G520-C522 PolarHBondContact O-N 3.41Å
523H41.8Very low49.8Very low175 Ų175102.8 Ų102.881%0.8153%0.525SS*.THydrogen-bonded Turntrans-109.7-15.4178.1-81.935.1000114.6S521S521-H523 PolarHBondContact O-N 2.93Å
524S40.3Very low48.6Very low67 Ų67108.2 Ų108.247%0.46953%0.534SS..SBendtrans-87.5-32.4-175.4-1690000113.8S521 K526 A527 T528S521-S524 PolarHBondContact O-N 3.3Å; S524-K526 VanDerWaalsContact C-N 3.31Å; S524-K526 PolarHBondContact O-N 2.95Å; S524-A527 WeakPolarHBondContact O-CA 3.32Å; S524-A527 WeakPolarHBondContact O-CB 3.37Å; S524-A527 PolarHBondContact O-N 3.32Å; S524-T528 PolarHBondContact O-N 3.29Å; S524-T528 PolarHBondContact O-OG1 3Å
525R40.4Very low47.5Very low183 Ų183112.1 Ų112.169%0.69156%0.555SS**Hα-helixtrans-57-39.4-177.6-78.4-176.5175.9164.8-0.2113.4A527 E529R525-A527 VanDerWaalsContact C-N 3.32Å; R525-A527 PolarHBondContact O-N 3.42Å; R525-E529 WeakPolarHBondContact O-CB 3.35Å; R525-E529 PolarHBondContact O-N 3.37Å; R525-E529 VanDerWaalsContact O-N 3.08Å
526K43Very low46.2Very low181 Ų181113.4 Ų113.479%0.78757%0.566SS**Hα-helixtrans-67.1-29.2174.9-73-176.4178.4178.10113.2S524 R530S524-K526 VanDerWaalsContact C-N 3.31Å; S524-K526 PolarHBondContact O-N 2.95Å; K526-R530 VanDerWaalsContact O-CB 3.26Å; K526-R530 WeakPolarHBondContact O-CB 3.43Å; K526-R530 PolarHBondContact O-N 3.16Å
527A38.9Very low44.7Very low60 Ų60117.1 Ų117.150%0.49657%0.568SS.*Hα-helixtrans-81.2-39.217800000112.1S524 R525 R530 W531S524-A527 WeakPolarHBondContact O-CA 3.32Å; S524-A527 WeakPolarHBondContact O-CB 3.37Å; S524-A527 PolarHBondContact O-N 3.32Å; R525-A527 VanDerWaalsContact C-N 3.32Å; R525-A527 PolarHBondContact O-N 3.42Å; A527-R530 PolarHBondContact O-N 3.16Å; A527-W531 WeakPolarHBondContact O-CB 3.29Å; A527-W531 PolarHBondContact O-N 3.08Å
528T41.7Very low43.4Very low61 Ų61120.8 Ų120.837%0.37459%0.592SS.*Hα-helixtrans-73.6-34.2-179.5-24.50000112.5S524 K532S524-T528 PolarHBondContact O-N 3.29Å; S524-T528 PolarHBondContact O-OG1 3Å; T528-K532 WeakPolarHBondContact O-CB 3.26Å; T528-K532 WeakPolarHBondContact O-CG 3.35Å; T528-K532 PolarHBondContact O-N 3.3Å
529E44.2Very low41.9Very low115 Ų115126.5 Ų126.554%0.53762%0.623SS.*Hα-helixtrans-70-38.2171.8-76.7179.5174.800112R525 W531 K532 R533R525-E529 WeakPolarHBondContact O-CB 3.35Å; R525-E529 PolarHBondContact O-N 3.37Å; R525-E529 VanDerWaalsContact O-N 3.08Å; E529-W531 VanDerWaalsContact C-N 3.33Å; E529-W531 PolarHBondContact O-N 3.5Å; E529-K532 PolarHBondContact O-N 2.88Å; E529-R533 WeakPolarHBondContact O-CB 3.35Å; E529-R533 WeakPolarHBondContact O-CG 3.46Å; E529-R533 PolarHBondContact O-N 3.35Å
530R39.2Very low41.1Very low172 Ų172128.2 Ų128.265%0.64963%0.628SS**Hα-helixtrans-68.8-30.6175.4-153.6174.4-161-175.34.9112.4K526 A527 R534K526-R530 VanDerWaalsContact O-CB 3.26Å; K526-R530 WeakPolarHBondContact O-CB 3.43Å; K526-R530 PolarHBondContact O-N 3.16Å; A527-R530 PolarHBondContact O-N 3.16Å; R530-R534 PolarHBondContact O-N 3.4Å
531W39.5Very low40.2Very low161 Ų161135.5 Ų135.561%0.6165%0.652SS**Hα-helixtrans-76.3-41.7173-171.684.2000112.4A527 E529 R534 N535A527-W531 WeakPolarHBondContact O-CB 3.29Å; A527-W531 PolarHBondContact O-N 3.08Å; E529-W531 VanDerWaalsContact C-N 3.33Å; E529-W531 PolarHBondContact O-N 3.5Å; W531-R534 PolarHBondContact O-N 3.46Å; W531-N535 WeakPolarHBondContact CZ2-ND2 3.34Å; W531-N535 PolarHBondContact NE1-ND2 2.86Å; W531-N535 WeakPolarHBondContact O-CB 3.08Å; W531-N535 PolarHBondContact O-N 3.11Å; W531-N535 VanDerWaalsContact O-N 3.11Å
532K44.7Very low39.8Very low123 Ų123137.2 Ų137.254%0.53566%0.664SS.*Hα-helixtrans-63.8-40.4174.1-78.8-179.5177.5-173.90112.3T528 E529 R534 N535 L536T528-K532 WeakPolarHBondContact O-CB 3.26Å; T528-K532 WeakPolarHBondContact O-CG 3.35Å; T528-K532 PolarHBondContact O-N 3.3Å; E529-K532 PolarHBondContact O-N 2.88Å; K532-R534 VanDerWaalsContact C-N 3.31Å; K532-R534 PolarHBondContact O-N 3.3Å; K532-N535 PolarHBondContact O-N 2.91Å; K532-L536 HydrophobicContact CB-CD1 4.12Å; K532-L536 HydrophobicContact CG-CD1 4.25Å; K532-L536 WeakPolarHBondContact O-CB 3.48Å; K532-L536 WeakPolarHBondContact O-CD1 3.41Å; K532-L536 PolarHBondContact O-N 3.47Å
533R46.6Very low39.6Very low208 Ų208139 Ų13979%0.78567%0.665SS**Hα-helixtrans-67-27.4174.5-74.5-172.3-168.6-1804.4113.7E529E529-R533 WeakPolarHBondContact O-CB 3.35Å; E529-R533 WeakPolarHBondContact O-CG 3.46Å; E529-R533 PolarHBondContact O-N 3.35Å
534R43.5Very low39.7Very low183 Ų183136.1 Ų136.169%0.69166%0.66SS**Hα-helixtrans-83.4-24.6177.2-85-178.1-171.5155.10.5114.4R530 W531 K532R530-R534 PolarHBondContact O-N 3.4Å; W531-R534 PolarHBondContact O-N 3.46Å; K532-R534 VanDerWaalsContact C-N 3.31Å; K532-R534 PolarHBondContact O-N 3.3Å
535N44.6Very low40Very low85 Ų85136.2 Ų136.246%0.45566%0.661SS.*Hα-helixtrans-117.72.6-167.9-65.9-13.1000114.8W531 K532W531-N535 WeakPolarHBondContact CZ2-ND2 3.34Å; W531-N535 PolarHBondContact NE1-ND2 2.86Å; W531-N535 WeakPolarHBondContact O-CB 3.08Å; W531-N535 PolarHBondContact O-N 3.11Å; W531-N535 VanDerWaalsContact O-N 3.11Å; K532-N535 PolarHBondContact O-N 2.91Å
536L42.6Very low40.3Very low125 Ų125136.9 Ų136.965%0.65467%0.665SS**SBendtrans-103.86.8175.5-91.896.9000114.5K532 T538K532-L536 HydrophobicContact CB-CD1 4.12Å; K532-L536 HydrophobicContact CG-CD1 4.25Å; K532-L536 WeakPolarHBondContact O-CB 3.48Å; K532-L536 WeakPolarHBondContact O-CD1 3.41Å; K532-L536 PolarHBondContact O-N 3.47Å; L536-T538 PolarHBondContact O-N 2.88Å
537H36.1Very low40.6Very low170 Ų170132.5 Ų132.579%0.78765%0.653SS**  trans-96.474.8164.6-86.2-37.3000110.4
538T37.3Very low41Very low125 Ų125133.1 Ų133.177%0.76765%0.648SS**  trans-147.262.7156.857.80000107.7L536 D540L536-T538 PolarHBondContact O-N 2.88Å; T538-D540 VanDerWaalsContact C-N 3.3Å; T538-D540 PolarHBondContact O-N 2.87Å
539D31.5Very low41.7Very low154 Ų154135.5 Ų135.582%0.82466%0.658SS**  trans-79.885.5158.2-78-34.1000106.7
540D35.9Very low42.1Very low124 Ų124134.9 Ų134.966%0.66365%0.653SS**  trans-165115.5155.3-110.9-29000110.7T538T538-D540 VanDerWaalsContact C-N 3.3Å; T538-D540 PolarHBondContact O-N 2.87Å
541K33.4Very low43.1Very low179 Ų179132.5 Ų132.578%0.77865%0.647SS**  trans51.9128138.6-63.6166.4-171.3153.10120.4
542S32.9Very low43.9Very low105 Ų105133.3 Ų133.373%0.73465%0.65SS**  trans69.1129.9144.655.80000121
543N33.6Very low44.5Very low163 Ų163131.9 Ų131.987%0.87265%0.648SS**  trans59.871.7154.4-69.9-10.8000118.6
544T43Very low45.3Very low115 Ų115128 Ų12871%0.70664%0.639SS**  trans-92.5110.1161.1-29.90000110.6D548T544-D548 HydrophobicContact CG2-CB 3.91Å
545S47.9Very low46.2Very low69 Ų69124 Ų12448%0.48363%0.63SS.*  trans-65.7154-178.1740000113.2V547 D548S545-V547 PolarHBondContact O-N 3.29Å; S545-D548 PolarHBondContact O-N 3.09Å; S545-D548 VanDerWaalsContact O-N 3.07Å
546Y45.2Very low47Very low197 Ų197127 Ų12777%0.77364%0.639SS**Hα-helixtrans-52.4-25.9176.1-171.1-97.5000113.7D548 L549 K550Y546-D548 PolarHBondContact O-N 3.1Å; Y546-L549 PolarHBondContact O-N 3.35Å; Y546-K550 PolarHBondContact O-N 3.5Å
547V49.3Very low47.8Very low88 Ų88126 Ų12653%0.53363%0.631SS.*Hα-helixtrans-66.8-35.5-179.8-176.40000112S545 K550 K551S545-V547 PolarHBondContact O-N 3.29Å; V547-K550 PolarHBondContact O-N 3.49Å; V547-K551 PolarHBondContact O-N 3.08Å; V547-K551 VanDerWaalsContact O-N 3.1Å
548D49.3Very low48.9Very low74 Ų74125.8 Ų125.840%0.39663%0.628SS.*Hα-helixtrans-74.2-30.8-179.5-94.6-19.2000112.9T544 S545 Y546 R552T544-D548 HydrophobicContact CG2-CB 3.91Å; S545-D548 PolarHBondContact O-N 3.09Å; S545-D548 VanDerWaalsContact O-N 3.07Å; Y546-D548 PolarHBondContact O-N 3.1Å; D548-R552 WeakPolarHBondContact O-CB 3.29Å; D548-R552 WeakPolarHBondContact O-CG 3.38Å; D548-R552 PolarHBondContact O-N 3.33Å
549L54.5Low49.8Very low111 Ų111125.5 Ų125.558%0.58162%0.618SS**Hα-helixtrans-65.5-41.8173.7-13788.4000110.9Y546 R552 L553Y546-L549 PolarHBondContact O-N 3.35Å; L549-R552 PolarHBondContact O-N 2.79Å; L549-L553 WeakPolarHBondContact O-CG 3.5Å; L549-L553 PolarHBondContact O-N 3.21Å
550K53.1Low51Low101 Ų101120.6 Ų120.644%0.43960%0.598SS.*Hα-helixtrans-66.1-41.9178.6-152.6176.5-174.9-179.90111.4Y546 V547 L553 Q554Y546-K550 PolarHBondContact O-N 3.5Å; V547-K550 PolarHBondContact O-N 3.49Å; K550-L553 PolarHBondContact O-N 3.12Å; K550-Q554 PolarHBondContact O-N 3.08Å
551K59.8Low51.8Low122 Ų122122.9 Ų122.953%0.5360%0.598SS.*Hα-helixtrans-61.9-43.5172.6-81.3-178.3178.31750112.1V547 L553 Q554 I555V547-K551 PolarHBondContact O-N 3.08Å; V547-K551 VanDerWaalsContact O-N 3.1Å; K551-L553 PolarHBondContact O-N 2.91Å; K551-Q554 PolarHBondContact O-N 3.43Å; K551-I555 WeakPolarHBondContact O-CG1 3.31Å; K551-I555 PolarHBondContact O-N 3.14Å
552R57.3Low52.7Low179 Ų179122.7 Ų122.768%0.67560%0.597SS**Hα-helixtrans-62.3-39.9176.4-79.3179.3171.3-171.2-0.8112.5D548 L549 I555 K556D548-R552 WeakPolarHBondContact O-CB 3.29Å; D548-R552 WeakPolarHBondContact O-CG 3.38Å; D548-R552 PolarHBondContact O-N 3.33Å; L549-R552 PolarHBondContact O-N 2.79Å; R552-I555 PolarHBondContact O-N 3.08Å; R552-K556 PolarHBondContact O-N 3.14Å; R552-K556 VanDerWaalsContact O-N 3.14Å
553L57.8Low53.4Low92 Ų92125.9 Ų125.948%0.48259%0.593SS.*Hα-helixtrans-65.6-44.1175-74.5164.3000111.6L549 K550 K551 I555 K556 H557L549-L553 WeakPolarHBondContact O-CG 3.5Å; L549-L553 PolarHBondContact O-N 3.21Å; K550-L553 PolarHBondContact O-N 3.12Å; K551-L553 PolarHBondContact O-N 2.91Å; L553-I555 VanDerWaalsContact C-N 3.35Å; L553-I555 PolarHBondContact O-N 3.27Å; L553-K556 PolarHBondContact O-N 3.12Å; L553-H557 PolarHBondContact O-CD2 3.49Å; L553-H557 VanDerWaalsContact O-CD2 3.27Å; L553-H557 PolarHBondContact O-N 3.42Å
554Q62.3Low54.2Low127 Ų127122.2 Ų122.259%0.59357%0.569SS**Hα-helixtrans-60.3-41.1175.8-81.1-177.8-9.100112.7K550 K551 H557 K558K550-Q554 PolarHBondContact O-N 3.08Å; K551-Q554 PolarHBondContact O-N 3.43Å; Q554-H557 PolarHBondContact O-N 3.28Å; Q554-K558 PolarHBondContact O-N 3.41Å
555I62.4Low54.4Low99 Ų99121.4 Ų121.451%0.50857%0.568SS.*Hα-helixtrans-63.7-43.8176.8-66.4165.6000110.7K551 R552 L553 H557 K558 Q559K551-I555 WeakPolarHBondContact O-CG1 3.31Å; K551-I555 PolarHBondContact O-N 3.14Å; R552-I555 PolarHBondContact O-N 3.08Å; L553-I555 VanDerWaalsContact C-N 3.35Å; L553-I555 PolarHBondContact O-N 3.27Å; I555-H557 VanDerWaalsContact C-N 3.33Å; I555-H557 PolarHBondContact O-N 3.1Å; I555-K558 PolarHBondContact O-N 2.78Å; I555-Q559 WeakPolarHBondContact O-CG 3.48Å; I555-Q559 PolarHBondContact O-N 2.88Å
556K60.8Low54.3Low149 Ų149125.7 Ų125.765%0.64858%0.581SS**Hα-helixtrans-59.9-41.9174.5-79.3-174.3176.4-179.30111.8R552 L553 Q559 A560R552-K556 PolarHBondContact O-N 3.14Å; R552-K556 VanDerWaalsContact O-N 3.14Å; L553-K556 PolarHBondContact O-N 3.12Å; K556-Q559 PolarHBondContact O-N 3.09Å; K556-A560 WeakPolarHBondContact O-CB 3.34Å; K556-A560 PolarHBondContact O-N 2.97Å
557H60.4Low54.6Low104 Ų104120 Ų12048%0.48156%0.563SS.*Hα-helixtrans-65.2-40.9176-87.1-79.4000112.8L553 Q554 I555 Q559 A560 R561L553-H557 PolarHBondContact O-CD2 3.49Å; L553-H557 VanDerWaalsContact O-CD2 3.27Å; L553-H557 PolarHBondContact O-N 3.42Å; Q554-H557 PolarHBondContact O-N 3.28Å; I555-H557 VanDerWaalsContact C-N 3.33Å; I555-H557 PolarHBondContact O-N 3.1Å; H557-Q559 VanDerWaalsContact C-N 3.34Å; H557-Q559 PolarHBondContact O-N 2.97Å; H557-A560 PolarHBondContact O-N 2.59Å; H557-R561 PolarHBondContact O-N 3.32Å
558K59.9Low54.6Low165 Ų165117.2 Ų117.272%0.71755%0.547SS*.Hα-helixtrans-64.8-39.2177.7-142.4174.7-172.5177.60111.3Q554 I555 R561 K562Q554-K558 PolarHBondContact O-N 3.41Å; I555-K558 PolarHBondContact O-N 2.78Å; K558-R561 PolarHBondContact O-N 3.31Å; K558-K562 PolarHBondContact O-N 3.04Å; K558-K562 VanDerWaalsContact O-N 3.1Å
559Q55.4Low54.8Low119 Ų119115.4 Ų115.456%0.55654%0.538SS*.Hα-helixtrans-69.1-36.7173.5-70.4-179.60.300112.7I555 K556 H557 R563I555-Q559 WeakPolarHBondContact O-CG 3.48Å; I555-Q559 PolarHBondContact O-N 2.88Å; K556-Q559 PolarHBondContact O-N 3.09Å; H557-Q559 VanDerWaalsContact C-N 3.34Å; H557-Q559 PolarHBondContact O-N 2.97Å; Q559-R563 WeakPolarHBondContact O-CG 3.04Å; Q559-R563 PolarHBondContact O-N 3.45Å; Q559-R563 VanDerWaalsContact O-N 3.16Å
560A55.9Low54.4Low50 Ų50117 Ų11741%0.41354%0.54SS..Hα-helixtrans-65.3-40.5173.900000111.9K556 H557 R563 K564K556-A560 WeakPolarHBondContact O-CB 3.34Å; K556-A560 PolarHBondContact O-N 2.97Å; H557-A560 PolarHBondContact O-N 2.59Å; A560-R563 PolarHBondContact O-N 2.83Å; A560-K564 PolarHBondContact O-N 2.95Å
561R54Low54Low172 Ų172116.1 Ų116.165%0.64955%0.547SS*.Hα-helixtrans-61.2-48.2173.6-83.4-174.9164.2-175.4-4.6112.3H557 K558 R563 K564 S565H557-R561 PolarHBondContact O-N 3.32Å; K558-R561 PolarHBondContact O-N 3.31Å; R561-R563 PolarHBondContact O-N 3.42Å; R561-K564 PolarHBondContact O-N 3.12Å; R561-S565 PolarHBondContact O-N 3.19Å
562K52.8Low53.3Low175 Ų175111.1 Ų111.176%0.76153%0.525SS*.Hα-helixtrans-61.3-26.3176.2-106.7-172.6177.9-175.20113.7K558 S565K558-K562 PolarHBondContact O-N 3.04Å; K558-K562 VanDerWaalsContact O-N 3.1Å; K562-S565 PolarHBondContact O-OG 3.32Å; K562-S565 VanDerWaalsContact O-OG 3.07Å
563R46.6Very low52.7Low172 Ų172104.6 Ų104.665%0.64951%0.513SS*.Hα-helixtrans-87.5-28.4176.9-75178.6165.3-178.5-3113.1Q559 A560 R561 S565 Q566Q559-R563 WeakPolarHBondContact O-CG 3.04Å; Q559-R563 PolarHBondContact O-N 3.45Å; Q559-R563 VanDerWaalsContact O-N 3.16Å; A560-R563 PolarHBondContact O-N 2.83Å; R561-R563 PolarHBondContact O-N 3.42Å; R563-S565 VanDerWaalsContact C-N 3.35Å; R563-Q566 PolarHBondContact O-N 3.18Å
564K49.9Very low51.7Low86 Ų86111.2 Ų111.237%0.37453%0.532SS..Hα-helixtrans-70.2-27.3174.6-94.9-172172.2-172.90112.8A560 R561 Q566 N567A560-K564 PolarHBondContact O-N 2.95Å; R561-K564 PolarHBondContact O-N 3.12Å; K564-Q566 PolarHBondContact O-N 3.49Å; K564-N567 PolarHBondContact O-N 2.96Å
565S47.4Very low50.5Low99 Ų99114.1 Ų114.169%0.69254%0.542SS*.THydrogen-bonded Turntrans-65.4-20.3174.866.10000113.2R561 K562 R563 N567R561-S565 PolarHBondContact O-N 3.19Å; K562-S565 PolarHBondContact O-OG 3.32Å; K562-S565 VanDerWaalsContact O-OG 3.07Å; R563-S565 VanDerWaalsContact C-N 3.35Å; S565-N567 PolarHBondContact O-N 3.16Å
566Q46.4Very low49.4Very low159 Ų159118.4 Ų118.474%0.74356%0.557SS**SBendtrans-92.578.9163.8-67.7-168.9-14.700108.5R563 K564 P568R563-Q566 PolarHBondContact O-N 3.18Å; K564-Q566 PolarHBondContact O-N 3.49Å; Q566-P568 WeakPolarHBondContact O-CD 3.34Å
567N51.3Low48.1Very low76 Ų76116.8 Ų116.841%0.40657%0.565SS.*  trans-58.4108.4178.4-102.6-34.8000110.2K564 S565 L569 F570K564-N567 PolarHBondContact O-N 2.96Å; S565-N567 PolarHBondContact O-N 3.16Å; N567-L569 PolarHBondContact O-N 3.06Å; N567-F570 HydrophobicContact CB-CB 4.36Å; N567-F570 HydrophobicContact CB-CD2 3.96Å; N567-F570 PolarHBondContact O-N 3.05Å; N567-F570 VanDerWaalsContact O-N 3.13Å
568P49.8Very low47Very low30 Ų30121 Ų12120%0.19558%0.581CS.*THydrogen-bonded Turntrans-68.7-15.9177.829-32.2000111.9L517 Q566 F570 S571L517-P568 HydrophobicContact CD1-CB 4.34Å; Q566-P568 WeakPolarHBondContact O-CD 3.34Å; P568-F570 VanDerWaalsContact C-N 3.29Å; P568-F570 PolarHBondContact O-N 2.86Å; P568-S571 PolarHBondContact O-OG 2.92Å; P568-S571 VanDerWaalsContact O-OG 3.11Å
569L52.5Low45.7Very low37 Ų37120.1 Ų120.119%0.19459%0.59CS.*THydrogen-bonded Turntrans-69.5-23.6174.1-68.4163.8000112.7Y232 I253 Y430 N567Y232-L569 HydrophobicContact CD2-CD1 4.5Å; Y232-L569 HydrophobicContact CE2-CD1 3.73Å; I253-L569 HydrophobicContact CG2-CD2 3.69Å; I253-L569 HydrophobicContact CG2-CG 4.24Å; Y430-L569 HydrophobicContact CD2-CD2 4.07Å; Y430-L569 HydrophobicContact CE2-CB 4.41Å; Y430-L569 HydrophobicContact CE2-CD2 3.26Å; Y430-L569 HydrophobicContact CE2-CG 4.43Å; N567-L569 PolarHBondContact O-N 3.06Å
570F45.6Very low44.9Very low143 Ų143121.4 Ų121.463%0.62764%0.635SS**THydrogen-bonded Turntrans-80.2-25.3-179.7-104.4-87.5000113.7N567 P568 F572N567-F570 HydrophobicContact CB-CB 4.36Å; N567-F570 HydrophobicContact CB-CD2 3.96Å; N567-F570 PolarHBondContact O-N 3.05Å; N567-F570 VanDerWaalsContact O-N 3.13Å; P568-F570 VanDerWaalsContact C-N 3.29Å; P568-F570 PolarHBondContact O-N 2.86Å; F570-F572 VanDerWaalsContact C-N 3.34Å; F570-F572 PolarHBondContact O-N 3.21Å
571S45.6Very low44.3Very low84 Ų84125 Ų12559%0.58765%0.646SS**THydrogen-bonded Turntrans-81.5-11.3-175.956.80000114.2P568P568-S571 PolarHBondContact O-OG 2.92Å; P568-S571 VanDerWaalsContact O-OG 3.11Å
572F44.3Very low43.8Very low17 Ų17122.5 Ų122.58%0.07565%0.646CS.*THydrogen-bonded Turntrans-80.8-16.3-173.4-142.4-105.1000113.5R433 E436 L514 F570R433-F572 HydrophobicContact CB-CE1 4.38Å; E436-F572 VanDerWaalsContact OE2-CZ 3.28Å; E436-F572 WeakPolarHBondContact OE2-CZ 3.5Å; L514-F572 HydrophobicContact CD1-CD2 4.37Å; L514-F572 HydrophobicContact CD1-CE2 3.61Å; L514-F572 HydrophobicContact CD1-CZ 4.37Å; L514-F572 HydrophobicContact CD2-CD2 4.25Å; L514-F572 HydrophobicContact CD2-CE2 4.2Å; L514-F572 HydrophobicContact CG-CD2 4.45Å; L514-F572 HydrophobicContact CG-CE2 3.91Å; F570-F572 VanDerWaalsContact C-N 3.34Å; F570-F572 PolarHBondContact O-N 3.21Å
573G45.4Very low43.3Very low41 Ų41119.6 Ų119.642%0.42364%0.639SS.*SBendtrans-107-9.5-168.900000118.4
574R37.1Very low43.1Very low232 Ų232116.5 Ų116.588%0.87564%0.639SS**  trans-129.3101.2-177.9-80.5-172.1174.5-170-1.1112.5K576R574-K576 PolarHBondContact O-N 3.37Å
575K37.9Very low42.7Very low187 Ų187118.4 Ų118.481%0.81366%0.655SS**  trans-71.5120.3149.7-101.3-174177.2-179.30106.5S577K575-S577 PolarHBondContact O-N 3Å
576K38.7Very low42.4Very low190 Ų190119.7 Ų119.783%0.82665%0.653SS**  trans-53.4109163.1-73.8-179.4174.3-178.60107.6R574 K578R574-K576 PolarHBondContact O-N 3.37Å; K576-K578 PolarHBondContact O-N 2.82Å
577S33.6Very low42.1Very low115 Ų115116.9 Ų116.980%0.80465%0.646SS**  trans-62.194.7155.328.90000106.6K575 V579K575-S577 PolarHBondContact O-N 3Å; S577-V579 PolarHBondContact O-N 3.19Å
578K37.5Very low41.4Very low191 Ų191120 Ų12083%0.8367%0.665SS**  trans-76.3108.3158.4-88.7-169.4171.8-171.40105.8K576K576-K578 PolarHBondContact O-N 2.82Å
579V33Very low40.7Very low148 Ų148127.5 Ų127.590%0.89770%0.704SS**  trans-55128.4155.5177.30000107.2S577S577-V579 PolarHBondContact O-N 3.19Å
580G37.1Very low39.6Very low145 Ų145135.7 Ų135.7100%1.49575%0.75SS**  trans179.70-179.400000107

Retrieved 580 of 580 residues in 141.7 ms (Link to these results)

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