A0A5K4FEC7_SCHMA Loading...

Cyclic nucleotide-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FEC7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 619 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
1M40.2Very low76.4Confident216 Ų21691.8 Ų91.8100%1.06448%0.475SS*.  0132.70-78.3172.7165.300107.3
2K61.7Low77.5Confident87 Ų8784.6 Ų84.638%0.37844%0.438SS..PPolyproline II helixtrans-72.1144.4175.3-65.9-174.6170.8177.90109N35K2-N35 HydrophobicContact CD-CB 4.38Å; K2-N35 WeakPolarHBondContact CD-O 3.46Å; K2-N35 WeakPolarHBondContact CE-O 3.49Å; K2-N35 PolarHBondContact NZ-O 2.89Å
3Q70.7Confident78.6Confident154 Ų15478.2 Ų78.272%0.7240%0.404SS*.PPolyproline II helixtrans-71.7133.6-176.6-69.2-177.3-7.200109W31Q3-W31 WeakPolarHBondContact O-CZ2 3.4Å; Q3-W31 PolarHBondContact O-NE1 2.82Å
4P78Confident79.4Confident79 Ų7978.7 Ų78.751%0.51341%0.408SS..PPolyproline II helixtrans-61.8156.2173.828.2-34.2000110.4S6P4-S6 PolarHBondContact O-N 3.03Å
5L79.9Confident80.1Confident6 Ų678.5 Ų78.53%0.03140%0.403CS..PPolyproline II helixtrans-63.1134.8172.6-170.468000108.4L9 V10 L13 W31 L79L5-L9 HydrophobicContact CD1-CB 3.71Å; L5-L9 HydrophobicContact CD1-CD1 3.61Å; L5-L9 HydrophobicContact CD1-CG 4.33Å; L5-L9 HydrophobicContact CD2-CB 4Å; L5-L9 HydrophobicContact CG-CB 3.7Å; L5-L9 HydrophobicContact CG-CD1 4.46Å; L5-V10 HydrophobicContact CB-CG2 4.13Å; L5-V10 HydrophobicContact CD2-CG2 3.85Å; L5-V10 HydrophobicContact CG-CG2 4.1Å; L5-L13 HydrophobicContact CD2-CD1 3.97Å; L5-W31 HydrophobicContact CB-CD2 4.3Å; L5-W31 HydrophobicContact CB-CH2 4.22Å; L5-W31 HydrophobicContact CB-CZ2 3.87Å; L5-W31 HydrophobicContact CD1-CB 3.93Å; L5-W31 HydrophobicContact CD1-CD2 3.57Å; L5-W31 HydrophobicContact CD1-CE3 4.1Å; L5-W31 HydrophobicContact CD1-CG 3.49Å; L5-W31 VanDerWaalsContact CD1-CG 3.49Å; L5-L79 HydrophobicContact CD2-CD1 3.93Å
6S82.7Confident80.8Confident56 Ų5677.9 Ų77.939%0.39241%0.406SS..PPolyproline II helixtrans-61.8148.3178.359.70000110.6P4 D8 L9 V10P4-S6 PolarHBondContact O-N 3.03Å; S6-D8 PolarHBondContact O-N 3.29Å; S6-L9 PolarHBondContact O-N 3.4Å; S6-L9 VanDerWaalsContact OG-CG 3.32Å; S6-L9 WeakPolarHBondContact OG-CG 3.47Å; S6-V10 PolarHBondContact O-N 3.43Å
7N81.6Confident81.4Confident128 Ų12877.4 Ų77.468%0.68440%0.404SS*.Hα-helixtrans-55.7-40.8-179-68.7-13.1000111.6L9 V10 E11N7-L9 VanDerWaalsContact C-N 3.27Å; N7-L9 PolarHBondContact O-N 3.29Å; N7-V10 WeakPolarHBondContact O-CA 3.35Å; N7-V10 WeakPolarHBondContact O-CB 3.18Å; N7-V10 PolarHBondContact O-N 3.44Å; N7-E11 PolarHBondContact O-N 3.34Å
8D83.8Confident81.9Confident121 Ų12180.9 Ų80.965%0.64742%0.423SS*.Hα-helixtrans-57.7-38.7177.4-50-13.7000112.3S6 E11 V12S6-D8 PolarHBondContact O-N 3.29Å; D8-E11 PolarHBondContact O-N 2.84Å; D8-V12 PolarHBondContact O-N 3.47Å
9L86.1Confident82.5Confident32 Ų3283.3 Ų83.317%0.16843%0.433CS..Hα-helixtrans-78-27.7177.7-69.2-178.9000112.3L5 S6 N7 H27 I28L5-L9 HydrophobicContact CD1-CB 3.71Å; L5-L9 HydrophobicContact CD1-CD1 3.61Å; L5-L9 HydrophobicContact CD1-CG 4.33Å; L5-L9 HydrophobicContact CD2-CB 4Å; L5-L9 HydrophobicContact CG-CB 3.7Å; L5-L9 HydrophobicContact CG-CD1 4.46Å; S6-L9 PolarHBondContact O-N 3.4Å; S6-L9 VanDerWaalsContact OG-CG 3.32Å; S6-L9 WeakPolarHBondContact OG-CG 3.47Å; N7-L9 VanDerWaalsContact C-N 3.27Å; N7-L9 PolarHBondContact O-N 3.29Å; L9-H27 HydrophobicContact CD2-CB 4.11Å; L9-I28 HydrophobicContact CB-CG1 4.12Å; L9-I28 HydrophobicContact CD2-CG1 3.97Å; L9-I28 HydrophobicContact CG-CG1 4.43Å
10V87.4Confident83.1Confident9 Ų980 Ų806%0.05542%0.415CS..Hα-helixtrans-67.4-38.8170.61780000110.5L5 S6 N7 V12 L13 N14 A56 F58L5-V10 HydrophobicContact CB-CG2 4.13Å; L5-V10 HydrophobicContact CD2-CG2 3.85Å; L5-V10 HydrophobicContact CG-CG2 4.1Å; S6-V10 PolarHBondContact O-N 3.43Å; N7-V10 WeakPolarHBondContact O-CA 3.35Å; N7-V10 WeakPolarHBondContact O-CB 3.18Å; N7-V10 PolarHBondContact O-N 3.44Å; V10-V12 VanDerWaalsContact C-N 3.28Å; V10-V12 PolarHBondContact O-N 3.45Å; V10-L13 WeakPolarHBondContact O-CB 3.46Å; V10-L13 PolarHBondContact O-N 3.44Å; V10-N14 PolarHBondContact O-N 3.49Å; V10-A56 HydrophobicContact CG1-CB 4.32Å; V10-F58 HydrophobicContact CG1-CE1 4.32Å; V10-F58 HydrophobicContact CG1-CE2 4.26Å; V10-F58 HydrophobicContact CG1-CZ 3.53Å
11E87.9Confident83.6Confident122 Ų12279.5 Ų79.557%0.5742%0.416SS*.Hα-helixtrans-60.9-36.4176.8-72.8180-17400112.6N7 D8 L13 N14 K15N7-E11 PolarHBondContact O-N 3.34Å; D8-E11 PolarHBondContact O-N 2.84Å; E11-L13 VanDerWaalsContact C-N 3.27Å; E11-L13 PolarHBondContact O-N 3.4Å; E11-N14 WeakPolarHBondContact O-CB 3.24Å; E11-N14 PolarHBondContact O-N 3Å; E11-N14 VanDerWaalsContact O-N 3.07Å; E11-K15 PolarHBondContact O-N 3.24Å
12V90.3Very high86.2Confident5 Ų572.6 Ų72.63%0.0339%0.393CS..Hα-helixtrans-57.8-40.2173174.80000111.6D8 V10 N14 K15 R20 E24 I28D8-V12 PolarHBondContact O-N 3.47Å; V10-V12 VanDerWaalsContact C-N 3.28Å; V10-V12 PolarHBondContact O-N 3.45Å; V12-N14 PolarHBondContact O-N 3.38Å; V12-K15 WeakPolarHBondContact O-CB 3.46Å; V12-K15 PolarHBondContact O-N 3.4Å; V12-K15 VanDerWaalsContact O-N 3.07Å; V12-R20 HydrophobicContact CG1-CG 4.16Å; V12-R20 PolarHBondContact O-NE 3.42Å; V12-E24 HydrophobicContact CG1-CB 3.78Å; V12-E24 HydrophobicContact CG1-CG 4.43Å; V12-E24 HydrophobicContact CG2-CB 4.04Å; V12-E24 HydrophobicContact CG2-CG 3.92Å; V12-I28 HydrophobicContact CB-CD1 3.88Å; V12-I28 HydrophobicContact CG1-CD1 3.68Å
13L92Very high87.8Confident1 Ų173.8 Ų73.81%0.00540%0.402CS..Hα-helixtrans-70.7-14.7179.7-64.6173.9000113.2L5 V10 E11 R20 I28 V51 A56 L79 I202L5-L13 HydrophobicContact CD2-CD1 3.97Å; V10-L13 WeakPolarHBondContact O-CB 3.46Å; V10-L13 PolarHBondContact O-N 3.44Å; E11-L13 VanDerWaalsContact C-N 3.27Å; E11-L13 PolarHBondContact O-N 3.4Å; L13-R20 PolarHBondContact O-NH2 3.47Å; L13-I28 HydrophobicContact CD2-CD1 3.9Å; L13-I28 HydrophobicContact CD2-CG2 4.38Å; L13-I28 HydrophobicContact CG-CD1 3.97Å; L13-V51 HydrophobicContact CD2-CG1 4.27Å; L13-A56 HydrophobicContact CB-CB 3.68Å; L13-A56 HydrophobicContact CD1-CB 4.34Å; L13-L79 HydrophobicContact CD1-CD1 3.79Å; L13-I202 HydrophobicContact CD1-CG2 3.83Å
14N89.5Confident88.9Confident86 Ų8668.2 Ų68.246%0.4638%0.376SS..Hα-helixtrans-89-17.9171.5-64.4-34.5000112.5V10 E11 V12V10-N14 PolarHBondContact O-N 3.49Å; E11-N14 WeakPolarHBondContact O-CB 3.24Å; E11-N14 PolarHBondContact O-N 3Å; E11-N14 VanDerWaalsContact O-N 3.07Å; V12-N14 PolarHBondContact O-N 3.38Å
15K90.3Very high89.8Confident75 Ų7565.4 Ų65.433%0.32636%0.357SS..SBendtrans-64.9145.9174.5-61.2178.7-173.4-179.80110.2E11 V12 M19 R20 E24E11-K15 PolarHBondContact O-N 3.24Å; V12-K15 WeakPolarHBondContact O-CB 3.46Å; V12-K15 PolarHBondContact O-N 3.4Å; V12-K15 VanDerWaalsContact O-N 3.07Å; K15-M19 HydrophobicContact CB-CB 4.41Å; K15-R20 HydrophobicContact CB-CG 4.19Å; K15-R20 PolarHBondContact O-NE 2.95Å; K15-R20 PolarHBondContact O-NH2 3.41Å; K15-E24 IonicContact NZ-OE1 3.04Å; K15-E24 PolarHBondContact NZ-OE1 3.09Å
16P90Very high90.6Very high69 Ų6971 Ų7145%0.44838%0.378SS..  trans-51.1142.8165-26.836.1000111.5N18 M19P16-N18 WeakPolarHBondContact CB-OD1 3.39Å; P16-N18 PolarHBondContact O-N 2.88Å; P16-N18 VanDerWaalsContact O-N 3.1Å; P16-M19 HydrophobicContact CB-CG 4.33Å; P16-M19 HydrophobicContact CG-SD 4.07Å; P16-M19 PolarHBondContact O-N 3.13Å
17N90.9Very high91.2Very high69 Ų6973.1 Ų73.137%0.36938%0.381SS..G310 helixtrans-55.4-35.1-172.8-606.1000112.8M19 R20 A52N17-M19 VanDerWaalsContact C-N 3.29Å; N17-M19 PolarHBondContact O-N 2.93Å; N17-R20 PolarHBondContact O-N 3.36Å; N17-R20 PolarHBondContact OD1-NH2 2.98Å; N17-A52 WeakPolarHBondContact CB-O 3.49Å; N17-A52 PolarHBondContact ND2-O 3.09Å
18N91.2Very high91.9Very high141 Ų14167 Ų6775%0.75435%0.348SS*.G310 helixtrans-74.2-12.5178.364-25.5000114.5P16P16-N18 WeakPolarHBondContact CB-OD1 3.39Å; P16-N18 PolarHBondContact O-N 2.88Å; P16-N18 VanDerWaalsContact O-N 3.1Å
19M93.2Very high92.5Very high126 Ų12661.2 Ų61.262%0.62132%0.317SS*.G310 helixtrans-99-0.7177.8-66.8-172.3174.500113.2K15 P16 N17K15-M19 HydrophobicContact CB-CB 4.41Å; P16-M19 HydrophobicContact CB-CG 4.33Å; P16-M19 HydrophobicContact CG-SD 4.07Å; P16-M19 PolarHBondContact O-N 3.13Å; N17-M19 VanDerWaalsContact C-N 3.29Å; N17-M19 PolarHBondContact O-N 2.93Å
20R94.4Very high92.9Very high18 Ų1862.4 Ų62.47%0.06832%0.323CS..  trans-85.6125.6178.2-59176.6-169.7-179.32.3109.4V12 L13 K15 N17 I25 V51 A52 C54V12-R20 HydrophobicContact CG1-CG 4.16Å; V12-R20 PolarHBondContact O-NE 3.42Å; L13-R20 PolarHBondContact O-NH2 3.47Å; K15-R20 HydrophobicContact CB-CG 4.19Å; K15-R20 PolarHBondContact O-NE 2.95Å; K15-R20 PolarHBondContact O-NH2 3.41Å; N17-R20 PolarHBondContact O-N 3.36Å; N17-R20 PolarHBondContact OD1-NH2 2.98Å; R20-I25 HydrophobicContact CB-CD1 3.97Å; R20-I25 HydrophobicContact CB-CG1 3.97Å; R20-V51 PolarHBondContact NH1-O 3.04Å; R20-A52 PolarHBondContact NH1-O 2.88Å; R20-C54 PolarHBondContact NH1-O 3.02Å; R20-C54 PolarHBondContact NH2-O 3.35Å
21T94.6Very high93.2Very high70 Ų7063.3 Ų63.343%0.42933%0.326SS..  trans-78.2153.9176.567.10000111.2I23 E24 I25T21-I23 PolarHBondContact O-N 2.72Å; T21-E24 WeakPolarHBondContact CB-OE2 3.34Å; T21-E24 WeakPolarHBondContact CG2-OE2 3.28Å; T21-E24 PolarHBondContact N-OE2 3.19Å; T21-E24 PolarHBondContact O-N 3.32Å; T21-E24 WeakPolarHBondContact OG1-CB 3.34Å; T21-E24 VanDerWaalsContact OG1-CD 3.23Å; T21-E24 WeakPolarHBondContact OG1-CG 3.3Å; T21-E24 PolarHBondContact OG1-N 2.88Å; T21-E24 PolarHBondContact OG1-OE2 3.21Å; T21-I25 WeakPolarHBondContact O-CG1 3.27Å; T21-I25 PolarHBondContact O-N 3.35Å
22A94.3Very high93.6Very high71 Ų7157.5 Ų57.559%0.58730%0.298SS*.Hα-helixtrans-59.2-30.8177.500000113.1R26A22-R26 VanDerWaalsContact O-CB 3.31Å; A22-R26 WeakPolarHBondContact O-CB 3.14Å; A22-R26 PolarHBondContact O-N 3.44Å
23I94.7Very high93.8Very high111 Ų11160.8 Ų60.857%0.56931%0.312SS*.Hα-helixtrans-69.6-48.6178.1-62.6169.9000110.3T21 I25 R26 H27T21-I23 PolarHBondContact O-N 2.72Å; I23-I25 VanDerWaalsContact C-N 3.34Å; I23-I25 PolarHBondContact O-N 3.35Å; I23-R26 PolarHBondContact O-N 3.36Å; I23-H27 PolarHBondContact O-N 3.36Å
24E95.1Very high93.8Very high38 Ų3867.4 Ų67.418%0.17834%0.343CS..Hα-helixtrans-59.9-45.5176.9-70165136.200111.3V12 K15 T21 R26 H27 I28V12-E24 HydrophobicContact CG1-CB 3.78Å; V12-E24 HydrophobicContact CG1-CG 4.43Å; V12-E24 HydrophobicContact CG2-CB 4.04Å; V12-E24 HydrophobicContact CG2-CG 3.92Å; K15-E24 IonicContact NZ-OE1 3.04Å; K15-E24 PolarHBondContact NZ-OE1 3.09Å; T21-E24 WeakPolarHBondContact CB-OE2 3.34Å; T21-E24 WeakPolarHBondContact CG2-OE2 3.28Å; T21-E24 PolarHBondContact N-OE2 3.19Å; T21-E24 PolarHBondContact O-N 3.32Å; T21-E24 WeakPolarHBondContact OG1-CB 3.34Å; T21-E24 VanDerWaalsContact OG1-CD 3.23Å; T21-E24 WeakPolarHBondContact OG1-CG 3.3Å; T21-E24 PolarHBondContact OG1-N 2.88Å; T21-E24 PolarHBondContact OG1-OE2 3.21Å; E24-R26 VanDerWaalsContact C-N 3.31Å; E24-R26 PolarHBondContact O-N 3.12Å; E24-H27 PolarHBondContact O-N 2.84Å; E24-I28 WeakPolarHBondContact O-CG1 3.47Å; E24-I28 PolarHBondContact O-N 3.41Å; E24-I28 VanDerWaalsContact O-N 3.15Å
25I96.3Very high93.9Very high19 Ų1964.3 Ų64.310%0.09733%0.327CS..Hα-helixtrans-58.2-45.4177-68.5169.7000110.6R20 T21 I23 I28 A29 M48 V51 A52R20-I25 HydrophobicContact CB-CD1 3.97Å; R20-I25 HydrophobicContact CB-CG1 3.97Å; T21-I25 WeakPolarHBondContact O-CG1 3.27Å; T21-I25 PolarHBondContact O-N 3.35Å; I23-I25 VanDerWaalsContact C-N 3.34Å; I23-I25 PolarHBondContact O-N 3.35Å; I25-I28 PolarHBondContact O-N 3.47Å; I25-A29 VanDerWaalsContact O-CB 3.31Å; I25-A29 WeakPolarHBondContact O-CB 3.48Å; I25-A29 PolarHBondContact O-N 2.84Å; I25-M48 HydrophobicContact CG2-CB 3.76Å; I25-M48 HydrophobicContact CG2-CE 4.15Å; I25-M48 HydrophobicContact CG2-CG 3.97Å; I25-M48 VanDerWaalsContact CG2-O 3.32Å; I25-M48 WeakPolarHBondContact CG2-O 3.48Å; I25-V51 HydrophobicContact CB-CG1 4.19Å; I25-V51 HydrophobicContact CG1-CG1 4.29Å; I25-V51 HydrophobicContact CG2-CB 4.09Å; I25-V51 HydrophobicContact CG2-CG1 3.91Å; I25-A52 HydrophobicContact CD1-CB 4.11Å
26R96.7Very high93.9Very high125 Ų12560.8 Ų60.847%0.47231%0.311SS..Hα-helixtrans-63.2-42.1179-175.9178.6176.385.2-1.1112A22 I23 E24 A29 I30 M48A22-R26 VanDerWaalsContact O-CB 3.31Å; A22-R26 WeakPolarHBondContact O-CB 3.14Å; A22-R26 PolarHBondContact O-N 3.44Å; I23-R26 PolarHBondContact O-N 3.36Å; E24-R26 VanDerWaalsContact C-N 3.31Å; E24-R26 PolarHBondContact O-N 3.12Å; R26-A29 PolarHBondContact O-N 3.14Å; R26-I30 HydrophobicContact CG-CD1 4.07Å; R26-I30 VanDerWaalsContact O-CG1 3.3Å; R26-I30 WeakPolarHBondContact O-CG1 3.32Å; R26-I30 PolarHBondContact O-N 3.04Å; R26-M48 HydrophobicContact CB-CE 4.08Å; R26-M48 HydrophobicContact CB-SD 4.18Å; R26-M48 HydrophobicContact CG-SD 4.31Å
27H95.2Very high93.8Very high99 Ų9959.3 Ų59.346%0.45830%0.299SS..Hα-helixtrans-61.6-44.7178.8-70.6175.9000112.2L9 I23 E24 I30 W31L9-H27 HydrophobicContact CD2-CB 4.11Å; I23-H27 PolarHBondContact O-N 3.36Å; E24-H27 PolarHBondContact O-N 2.84Å; H27-I30 PolarHBondContact O-N 3.33Å; H27-W31 PolarHBondContact O-N 3.49Å
28I95.3Very high93.7Very high0 Ų056.6 Ų56.60%029%0.286CS..Hα-helixtrans-66.7-41.1177-59.8167.4000110.3L9 V12 L13 E24 I25 I30 W31 F32 V51L9-I28 HydrophobicContact CB-CG1 4.12Å; L9-I28 HydrophobicContact CD2-CG1 3.97Å; L9-I28 HydrophobicContact CG-CG1 4.43Å; V12-I28 HydrophobicContact CB-CD1 3.88Å; V12-I28 HydrophobicContact CG1-CD1 3.68Å; L13-I28 HydrophobicContact CD2-CD1 3.9Å; L13-I28 HydrophobicContact CD2-CG2 4.38Å; L13-I28 HydrophobicContact CG-CD1 3.97Å; E24-I28 WeakPolarHBondContact O-CG1 3.47Å; E24-I28 PolarHBondContact O-N 3.41Å; E24-I28 VanDerWaalsContact O-N 3.15Å; I25-I28 PolarHBondContact O-N 3.47Å; I28-I30 VanDerWaalsContact C-N 3.3Å; I28-I30 PolarHBondContact O-N 2.97Å; I28-W31 PolarHBondContact O-N 3.39Å; I28-F32 HydrophobicContact CG2-CD1 3.63Å; I28-F32 HydrophobicContact CG2-CE1 3.33Å; I28-F32 HydrophobicContact CG2-CG 4.48Å; I28-F32 HydrophobicContact CG2-CZ 3.87Å; I28-F32 WeakPolarHBondContact O-CB 2.8Å; I28-F32 WeakPolarHBondContact O-CD1 2.88Å; I28-F32 PolarHBondContact O-N 3.39Å; I28-V51 HydrophobicContact CB-CG1 3.76Å; I28-V51 HydrophobicContact CB-CG2 4.12Å; I28-V51 HydrophobicContact CD1-CG1 3.98Å; I28-V51 HydrophobicContact CG1-CG1 4.46Å; I28-V51 HydrophobicContact CG2-CB 4.44Å; I28-V51 HydrophobicContact CG2-CG1 3.85Å; I28-V51 HydrophobicContact CG2-CG2 3.64Å
29A96.7Very high93.8Very high0 Ų049.9 Ų49.90%025%0.25CC..Hα-helixtrans-61.7-37.2177.700000112.3I25 R26 F32 K33 I44 L47 M48 V51I25-A29 VanDerWaalsContact O-CB 3.31Å; I25-A29 WeakPolarHBondContact O-CB 3.48Å; I25-A29 PolarHBondContact O-N 2.84Å; R26-A29 PolarHBondContact O-N 3.14Å; A29-F32 WeakPolarHBondContact O-CB 3.12Å; A29-F32 PolarHBondContact O-N 3.49Å; A29-K33 PolarHBondContact O-N 3.02Å; A29-I44 VanDerWaalsContact C-CD1 3.41Å; A29-I44 HydrophobicContact CB-CD1 3.56Å; A29-I44 HydrophobicContact CB-CG1 4.36Å; A29-L47 HydrophobicContact CB-CB 3.86Å; A29-M48 HydrophobicContact CB-CG 3.69Å; A29-V51 HydrophobicContact CB-CG2 4.28Å
30I95.5Very high93.7Very high57 Ų5747.9 Ų47.929%0.29224%0.238SC..Hα-helixtrans-64.5-48.8173.2-69.1166.5000109.8R26 H27 I28 F32 K33 E34 I44R26-I30 HydrophobicContact CG-CD1 4.07Å; R26-I30 VanDerWaalsContact O-CG1 3.3Å; R26-I30 WeakPolarHBondContact O-CG1 3.32Å; R26-I30 PolarHBondContact O-N 3.04Å; H27-I30 PolarHBondContact O-N 3.33Å; I28-I30 VanDerWaalsContact C-N 3.3Å; I28-I30 PolarHBondContact O-N 2.97Å; I30-F32 VanDerWaalsContact C-N 3.26Å; I30-F32 PolarHBondContact O-N 3.25Å; I30-K33 WeakPolarHBondContact O-CB 3.34Å; I30-K33 PolarHBondContact O-N 2.74Å; I30-K33 VanDerWaalsContact O-N 3.13Å; I30-E34 HydrophobicContact CG2-CG 4.41Å; I30-E34 WeakPolarHBondContact O-CG 3.45Å; I30-E34 PolarHBondContact O-N 2.98Å; I30-I44 HydrophobicContact CG1-CD1 3.81Å
31W93.9Very high93.5Very high27 Ų2753.6 Ų53.610%0.10227%0.27CS..Hα-helixtrans-57.9-41.4176.7-174.1100.7000111.4Q3 L5 H27 I28 K33 E34 N35 I36 L79Q3-W31 WeakPolarHBondContact O-CZ2 3.4Å; Q3-W31 PolarHBondContact O-NE1 2.82Å; L5-W31 HydrophobicContact CB-CD2 4.3Å; L5-W31 HydrophobicContact CB-CH2 4.22Å; L5-W31 HydrophobicContact CB-CZ2 3.87Å; L5-W31 HydrophobicContact CD1-CB 3.93Å; L5-W31 HydrophobicContact CD1-CD2 3.57Å; L5-W31 HydrophobicContact CD1-CE3 4.1Å; L5-W31 HydrophobicContact CD1-CG 3.49Å; L5-W31 VanDerWaalsContact CD1-CG 3.49Å; H27-W31 PolarHBondContact O-N 3.49Å; I28-W31 PolarHBondContact O-N 3.39Å; W31-K33 VanDerWaalsContact C-N 3.35Å; W31-K33 PolarHBondContact O-N 3.45Å; W31-E34 PolarHBondContact O-N 2.9Å; W31-N35 VanDerWaalsContact CD1-ND2 3.32Å; W31-N35 HydrophobicContact CD2-CB 3.92Å; W31-N35 HydrophobicContact CE3-CB 4Å; W31-N35 HydrophobicContact CH2-CB 4.01Å; W31-N35 HydrophobicContact CZ2-CB 3.86Å; W31-N35 HydrophobicContact CZ3-CB 4.07Å; W31-N35 PolarHBondContact NE1-ND2 3.37Å; W31-N35 VanDerWaalsContact O-CB 3.28Å; W31-N35 WeakPolarHBondContact O-CB 3.17Å; W31-N35 PolarHBondContact O-N 3.45Å; W31-N35 PolarHBondContact O-ND2 3.45Å; W31-I36 HydrophobicContact CZ3-CD1 4.12Å; W31-I36 HydrophobicContact CZ3-CG1 4.18Å; W31-L79 HydrophobicContact CH2-CD2 4.1Å; W31-L79 HydrophobicContact CZ3-CD2 3.76Å
32F95.3Very high93.6Very high0 Ų050.7 Ų50.70%025%0.252CS..Hα-helixtrans-58.9-47.5177.7-8632.6000110.6I28 A29 I30 E34 I36 F39 L47 L50 V51 L79 I202I28-F32 HydrophobicContact CG2-CD1 3.63Å; I28-F32 HydrophobicContact CG2-CE1 3.33Å; I28-F32 HydrophobicContact CG2-CG 4.48Å; I28-F32 HydrophobicContact CG2-CZ 3.87Å; I28-F32 WeakPolarHBondContact O-CB 2.8Å; I28-F32 WeakPolarHBondContact O-CD1 2.88Å; I28-F32 PolarHBondContact O-N 3.39Å; A29-F32 WeakPolarHBondContact O-CB 3.12Å; A29-F32 PolarHBondContact O-N 3.49Å; I30-F32 VanDerWaalsContact C-N 3.26Å; I30-F32 PolarHBondContact O-N 3.25Å; F32-E34 PolarHBondContact O-N 3.31Å; F32-I36 HydrophobicContact CB-CD1 3.98Å; F32-I36 HydrophobicContact CD1-CD1 4.03Å; F32-I36 HydrophobicContact CD2-CD1 4.1Å; F32-I36 HydrophobicContact CG-CD1 3.75Å; F32-I36 VanDerWaalsContact O-CB 3.26Å; F32-I36 WeakPolarHBondContact O-CB 3.28Å; F32-I36 PolarHBondContact O-N 3.38Å; F32-F39 HydrophobicContact CB-CD2 4.17Å; F32-F39 HydrophobicContact CD2-CD2 4.12Å; F32-F39 HydrophobicContact CD2-CE2 4.03Å; F32-F39 HydrophobicContact CG-CD2 4.45Å; F32-L47 HydrophobicContact CB-CD1 4.43Å; F32-L50 HydrophobicContact CD2-CD2 3.96Å; F32-L50 HydrophobicContact CE2-CD2 3.97Å; F32-V51 HydrophobicContact CD2-CG2 3.96Å; F32-V51 HydrophobicContact CE2-CG2 3.81Å; F32-V51 HydrophobicContact CG-CG2 4.42Å; F32-V51 HydrophobicContact CZ-CG2 4.2Å; F32-L79 HydrophobicContact CE1-CD2 3.96Å; F32-L79 HydrophobicContact CZ-CD2 4.34Å; F32-I202 HydrophobicContact CE2-CD1 3.52Å; F32-I202 HydrophobicContact CZ-CD1 3.54Å; F32-I202 HydrophobicContact CZ-CG1 4.4Å
33K94.6Very high93.7Very high75 Ų7549.3 Ų49.333%0.32624%0.238SC..Hα-helixtrans-62.5-39.9178.9-171165.9-180142.30113A29 I30 W31 K40 V42 L47A29-K33 PolarHBondContact O-N 3.02Å; I30-K33 WeakPolarHBondContact O-CB 3.34Å; I30-K33 PolarHBondContact O-N 2.74Å; I30-K33 VanDerWaalsContact O-N 3.13Å; W31-K33 VanDerWaalsContact C-N 3.35Å; W31-K33 PolarHBondContact O-N 3.45Å; K33-K40 WeakPolarHBondContact CE-O 3.35Å; K33-V42 PolarHBondContact NZ-O 3.33Å; K33-L47 HydrophobicContact CB-CD1 3.65Å; K33-L47 HydrophobicContact CD-CD1 4.47Å; K33-L47 HydrophobicContact CG-CD1 4.27Å
34E91.6Very high93.9Very high139 Ų13945.2 Ų45.265%0.6522%0.217SC*.Hα-helixtrans-80.3-35-176.9-68.6177170.800112.7I30 W31 F32I30-E34 HydrophobicContact CG2-CG 4.41Å; I30-E34 WeakPolarHBondContact O-CG 3.45Å; I30-E34 PolarHBondContact O-N 2.98Å; W31-E34 PolarHBondContact O-N 2.9Å; F32-E34 PolarHBondContact O-N 3.31Å
35N91.2Very high94Very high21 Ų2149 Ų4911%0.11224%0.235CC..Hα-helixtrans-106.4-14.3-170.1-64.6-79.6000114.2K2 W31K2-N35 HydrophobicContact CD-CB 4.38Å; K2-N35 WeakPolarHBondContact CD-O 3.46Å; K2-N35 WeakPolarHBondContact CE-O 3.49Å; K2-N35 PolarHBondContact NZ-O 2.89Å; W31-N35 VanDerWaalsContact CD1-ND2 3.32Å; W31-N35 HydrophobicContact CD2-CB 3.92Å; W31-N35 HydrophobicContact CE3-CB 4Å; W31-N35 HydrophobicContact CH2-CB 4.01Å; W31-N35 HydrophobicContact CZ2-CB 3.86Å; W31-N35 HydrophobicContact CZ3-CB 4.07Å; W31-N35 PolarHBondContact NE1-ND2 3.37Å; W31-N35 VanDerWaalsContact O-CB 3.28Å; W31-N35 WeakPolarHBondContact O-CB 3.17Å; W31-N35 PolarHBondContact O-N 3.45Å; W31-N35 PolarHBondContact O-ND2 3.45Å
36I91.4Very high94Very high1 Ų151 Ų511%0.00525%0.245CC..  trans-109.7114.3177.3-56.9158.7000108.6W31 F32 A38 F39 K40 V77 V137W31-I36 HydrophobicContact CZ3-CD1 4.12Å; W31-I36 HydrophobicContact CZ3-CG1 4.18Å; F32-I36 HydrophobicContact CB-CD1 3.98Å; F32-I36 HydrophobicContact CD1-CD1 4.03Å; F32-I36 HydrophobicContact CD2-CD1 4.1Å; F32-I36 HydrophobicContact CG-CD1 3.75Å; F32-I36 VanDerWaalsContact O-CB 3.26Å; F32-I36 WeakPolarHBondContact O-CB 3.28Å; F32-I36 PolarHBondContact O-N 3.38Å; I36-A38 VanDerWaalsContact C-N 3.27Å; I36-A38 HydrophobicContact CG2-CB 4.38Å; I36-A38 PolarHBondContact O-N 2.98Å; I36-F39 HydrophobicContact CB-CB 4.14Å; I36-F39 HydrophobicContact CB-CD2 3.67Å; I36-F39 HydrophobicContact CB-CE2 4.31Å; I36-F39 HydrophobicContact CB-CG 4.03Å; I36-F39 HydrophobicContact CD1-CD2 3.45Å; I36-F39 VanDerWaalsContact CD1-CD2 3.45Å; I36-F39 HydrophobicContact CD1-CE2 3.58Å; I36-F39 HydrophobicContact CG1-CD2 4.18Å; I36-F39 HydrophobicContact CG2-CB 4.29Å; I36-F39 HydrophobicContact CG2-CD1 4.3Å; I36-F39 HydrophobicContact CG2-CD2 3.61Å; I36-F39 HydrophobicContact CG2-CE2 3.93Å; I36-F39 HydrophobicContact CG2-CG 3.8Å; I36-F39 HydrophobicContact CG2-CZ 4.38Å; I36-F39 PolarHBondContact O-N 2.88Å; I36-K40 PolarHBondContact O-N 2.95Å; I36-V77 HydrophobicContact CD1-CG1 3.44Å; I36-V77 VanDerWaalsContact CD1-CG1 3.44Å; I36-V77 HydrophobicContact CG1-CG1 3.86Å; I36-V77 HydrophobicContact CG2-CG1 4.35Å; I36-V137 HydrophobicContact CG2-CG2 3.77Å
37M87.1Confident94.1Very high39 Ų3945 Ų4519%0.19222%0.222CC..G310 helixtrans-59.7-40-171.9-168.464.7158.300112.2F39 K40 K251 T253M37-F39 PolarHBondContact O-N 2.85Å; M37-K40 WeakPolarHBondContact O-CB 3.45Å; M37-K40 PolarHBondContact O-N 3.41Å; M37-K40 HydrophobicContact SD-CD 4.48Å; M37-K251 HydrophobicContact CE-CB 4.34Å; M37-K251 HydrophobicContact CE-CD 4.25Å; M37-K251 HydrophobicContact CE-CG 3.91Å; M37-K251 HydrophobicContact CG-CB 4.39Å; M37-T253 HydrophobicContact CE-CG2 3.38Å
38A89.6Confident94.2Very high11 Ų1142.5 Ų42.59%0.09121%0.211CC..G310 helixtrans-63.8-19.1177.200000113.9I36 V137 I217 E220I36-A38 VanDerWaalsContact C-N 3.27Å; I36-A38 HydrophobicContact CG2-CB 4.38Å; I36-A38 PolarHBondContact O-N 2.98Å; A38-V137 HydrophobicContact CB-CG2 4.08Å; A38-I217 HydrophobicContact CB-CG1 4.19Å; A38-E220 WeakPolarHBondContact CA-OE2 3.26Å; A38-E220 WeakPolarHBondContact CB-OE2 3.2Å
39F94Very high94.3Very high0 Ų048.9 Ų48.90%024%0.239CC..G310 helixtrans-102.9-1-177.6-61.3-14.7000113.4F32 I36 M37 D41 V42 L47 L50 V77 I204 V213 I217F32-F39 HydrophobicContact CB-CD2 4.17Å; F32-F39 HydrophobicContact CD2-CD2 4.12Å; F32-F39 HydrophobicContact CD2-CE2 4.03Å; F32-F39 HydrophobicContact CG-CD2 4.45Å; I36-F39 HydrophobicContact CB-CB 4.14Å; I36-F39 HydrophobicContact CB-CD2 3.67Å; I36-F39 HydrophobicContact CB-CE2 4.31Å; I36-F39 HydrophobicContact CB-CG 4.03Å; I36-F39 HydrophobicContact CD1-CD2 3.45Å; I36-F39 VanDerWaalsContact CD1-CD2 3.45Å; I36-F39 HydrophobicContact CD1-CE2 3.58Å; I36-F39 HydrophobicContact CG1-CD2 4.18Å; I36-F39 HydrophobicContact CG2-CB 4.29Å; I36-F39 HydrophobicContact CG2-CD1 4.3Å; I36-F39 HydrophobicContact CG2-CD2 3.61Å; I36-F39 HydrophobicContact CG2-CE2 3.93Å; I36-F39 HydrophobicContact CG2-CG 3.8Å; I36-F39 HydrophobicContact CG2-CZ 4.38Å; I36-F39 PolarHBondContact O-N 2.88Å; M37-F39 PolarHBondContact O-N 2.85Å; F39-D41 VanDerWaalsContact C-N 3.27Å; F39-D41 PolarHBondContact O-N 3.02Å; F39-V42 HydrophobicContact CB-CG2 4.43Å; F39-V42 HydrophobicContact CD1-CG2 4.41Å; F39-V42 WeakPolarHBondContact O-CB 3.16Å; F39-V42 PolarHBondContact O-N 3.47Å; F39-L47 HydrophobicContact CB-CD1 4.37Å; F39-L47 HydrophobicContact CB-CD2 4Å; F39-L47 HydrophobicContact CD2-CD2 3.97Å; F39-L47 HydrophobicContact CG-CD2 3.94Å; F39-L50 HydrophobicContact CE2-CD2 3.95Å; F39-L50 HydrophobicContact CZ-CD2 4.13Å; F39-V77 HydrophobicContact CE2-CG2 4.07Å; F39-V77 HydrophobicContact CZ-CG2 3.96Å; F39-I204 HydrophobicContact CZ-CD1 4.3Å; F39-V213 HydrophobicContact CD1-CB 4.32Å; F39-V213 HydrophobicContact CD1-CG1 3.95Å; F39-V213 HydrophobicContact CE1-CB 3.75Å; F39-V213 HydrophobicContact CE1-CG1 3.61Å; F39-V213 HydrophobicContact CE1-CG2 4.04Å; F39-V213 HydrophobicContact CZ-CB 4.42Å; F39-V213 HydrophobicContact CZ-CG1 4.07Å; F39-V213 HydrophobicContact CZ-CG2 4.34Å; F39-I217 HydrophobicContact CE1-CD1 3.88Å; F39-I217 HydrophobicContact CE1-CG1 4.17Å
40K90.9Very high94.3Very high85 Ų8548.9 Ų48.937%0.3724%0.239SC..THydrogen-bonded Turntrans-54.9-42.4-176.6-172.1177.6-176.7178.80112.7K33 I36 M37K33-K40 WeakPolarHBondContact CE-O 3.35Å; I36-K40 PolarHBondContact O-N 2.95Å; M37-K40 WeakPolarHBondContact O-CB 3.45Å; M37-K40 PolarHBondContact O-N 3.41Å; M37-K40 HydrophobicContact SD-CD 4.48Å
41D90.4Very high94.3Very high137 Ų13746.2 Ų46.273%0.73323%0.225SC*.THydrogen-bonded Turntrans-932.5-177.7-62.4-24.9000113.2F39F39-D41 VanDerWaalsContact C-N 3.27Å; F39-D41 PolarHBondContact O-N 3.02Å
42V95.8Very high94.4Very high9 Ų946.2 Ų46.26%0.05523%0.231CC..SBendtrans-80.4140.3177.7-174.60000109.5K33 F39 I46 L47 A216K33-V42 PolarHBondContact NZ-O 3.33Å; F39-V42 HydrophobicContact CB-CG2 4.43Å; F39-V42 HydrophobicContact CD1-CG2 4.41Å; F39-V42 WeakPolarHBondContact O-CB 3.16Å; F39-V42 PolarHBondContact O-N 3.47Å; V42-I46 HydrophobicContact CG1-CB 3.83Å; V42-I46 HydrophobicContact CG1-CG2 3.7Å; V42-L47 HydrophobicContact CB-CD1 4.3Å; V42-L47 HydrophobicContact CB-CD2 4.06Å; V42-L47 HydrophobicContact CB-CG 4.06Å; V42-L47 HydrophobicContact CG1-CD1 4.49Å; V42-L47 HydrophobicContact CG1-CD2 3.8Å; V42-L47 HydrophobicContact CG1-CG 3.75Å; V42-A216 HydrophobicContact CG2-CB 3.43Å; V42-A216 VanDerWaalsContact CG2-CB 3.43Å
43S97Very high94.4Very high42 Ų4251.7 Ų51.729%0.29426%0.257SS..  trans-65.6148.6176.999.90000110.5E45 I46 L47S43-E45 WeakPolarHBondContact CB-OE2 3.38Å; S43-E45 PolarHBondContact O-N 3.2Å; S43-E45 PolarHBondContact OG-N 3.23Å; S43-E45 PolarHBondContact OG-OE2 2.86Å; S43-I46 PolarHBondContact O-N 3.39Å; S43-I46 WeakPolarHBondContact OG-CG1 3.31Å; S43-I46 PolarHBondContact OG-N 2.83Å; S43-L47 PolarHBondContact O-N 2.86Å; S43-L47 VanDerWaalsContact O-N 3.16Å
44I97.6Very high94.3Very high26 Ų2648.1 Ų48.113%0.13324%0.242CC..Hα-helixtrans-65-33-178.2-167.965.6000110.9A29 I30 I46 L47 M48A29-I44 VanDerWaalsContact C-CD1 3.41Å; A29-I44 HydrophobicContact CB-CD1 3.56Å; A29-I44 HydrophobicContact CB-CG1 4.36Å; I30-I44 HydrophobicContact CG1-CD1 3.81Å; I44-I46 PolarHBondContact O-N 2.83Å; I44-L47 PolarHBondContact O-N 3.43Å; I44-M48 HydrophobicContact CG1-CG 4.5Å; I44-M48 VanDerWaalsContact O-CG 3.25Å; I44-M48 WeakPolarHBondContact O-CG 3.06Å; I44-M48 PolarHBondContact O-N 3.41Å
45E97.5Very high94.3Very high117 Ų11747.2 Ų47.255%0.54724%0.235SC..Hα-helixtrans-63.9-40.4178.7-54.876.5-160.200111.7S43 M48 K49S43-E45 WeakPolarHBondContact CB-OE2 3.38Å; S43-E45 PolarHBondContact O-N 3.2Å; S43-E45 PolarHBondContact OG-N 3.23Å; S43-E45 PolarHBondContact OG-OE2 2.86Å; E45-M48 PolarHBondContact O-N 3.19Å; E45-K49 PolarHBondContact O-N 2.9Å
46I97.5Very high94.4Very high60 Ų6046.8 Ų46.831%0.30823%0.234SC..Hα-helixtrans-67.8-42.3176.4-66.2170.1000110.4V42 S43 I44 M48 K49 L50 T212V42-I46 HydrophobicContact CG1-CB 3.83Å; V42-I46 HydrophobicContact CG1-CG2 3.7Å; S43-I46 PolarHBondContact O-N 3.39Å; S43-I46 WeakPolarHBondContact OG-CG1 3.31Å; S43-I46 PolarHBondContact OG-N 2.83Å; I44-I46 PolarHBondContact O-N 2.83Å; I46-M48 VanDerWaalsContact C-N 3.29Å; I46-M48 PolarHBondContact O-N 3.41Å; I46-K49 WeakPolarHBondContact O-CB 3.41Å; I46-K49 PolarHBondContact O-N 2.98Å; I46-L50 PolarHBondContact O-N 3.34Å; I46-T212 HydrophobicContact CG2-CG2 4.46Å; I46-T212 VanDerWaalsContact CG2-O 3.31Å; I46-T212 WeakPolarHBondContact CG2-O 3.45Å
47L97.9Very high94.4Very high0 Ų049 Ų490%025%0.245CC..Hα-helixtrans-65.5-33.5176.1-66.6176000112.2A29 F32 K33 F39 V42 S43 I44 K49 L50 V51 V213A29-L47 HydrophobicContact CB-CB 3.86Å; F32-L47 HydrophobicContact CB-CD1 4.43Å; K33-L47 HydrophobicContact CB-CD1 3.65Å; K33-L47 HydrophobicContact CD-CD1 4.47Å; K33-L47 HydrophobicContact CG-CD1 4.27Å; F39-L47 HydrophobicContact CB-CD1 4.37Å; F39-L47 HydrophobicContact CB-CD2 4Å; F39-L47 HydrophobicContact CD2-CD2 3.97Å; F39-L47 HydrophobicContact CG-CD2 3.94Å; V42-L47 HydrophobicContact CB-CD1 4.3Å; V42-L47 HydrophobicContact CB-CD2 4.06Å; V42-L47 HydrophobicContact CB-CG 4.06Å; V42-L47 HydrophobicContact CG1-CD1 4.49Å; V42-L47 HydrophobicContact CG1-CD2 3.8Å; V42-L47 HydrophobicContact CG1-CG 3.75Å; S43-L47 PolarHBondContact O-N 2.86Å; S43-L47 VanDerWaalsContact O-N 3.16Å; I44-L47 PolarHBondContact O-N 3.43Å; L47-K49 VanDerWaalsContact C-N 3.35Å; L47-L50 HydrophobicContact CD2-CD2 4.26Å; L47-L50 WeakPolarHBondContact O-CB 3.47Å; L47-L50 PolarHBondContact O-N 3.15Å; L47-V51 WeakPolarHBondContact O-CB 3.32Å; L47-V51 VanDerWaalsContact O-CG2 3.28Å; L47-V51 WeakPolarHBondContact O-CG2 3.38Å; L47-V51 PolarHBondContact O-N 3.06Å; L47-V213 HydrophobicContact CD2-CG1 4.21Å
48M97.5Very high94.7Very high47 Ų4751.2 Ų51.223%0.23225%0.254CS..Hα-helixtrans-64-39.2173.2-73.2179.267.500111.8I25 R26 A29 I44 E45 I46 L50 V51 A52I25-M48 HydrophobicContact CG2-CB 3.76Å; I25-M48 HydrophobicContact CG2-CE 4.15Å; I25-M48 HydrophobicContact CG2-CG 3.97Å; I25-M48 VanDerWaalsContact CG2-O 3.32Å; I25-M48 WeakPolarHBondContact CG2-O 3.48Å; R26-M48 HydrophobicContact CB-CE 4.08Å; R26-M48 HydrophobicContact CB-SD 4.18Å; R26-M48 HydrophobicContact CG-SD 4.31Å; A29-M48 HydrophobicContact CB-CG 3.69Å; I44-M48 HydrophobicContact CG1-CG 4.5Å; I44-M48 VanDerWaalsContact O-CG 3.25Å; I44-M48 WeakPolarHBondContact O-CG 3.06Å; I44-M48 PolarHBondContact O-N 3.41Å; E45-M48 PolarHBondContact O-N 3.19Å; I46-M48 VanDerWaalsContact C-N 3.29Å; I46-M48 PolarHBondContact O-N 3.41Å; M48-L50 VanDerWaalsContact C-N 3.35Å; M48-V51 PolarHBondContact O-N 3.35Å; M48-A52 WeakPolarHBondContact O-CB 3.22Å; M48-A52 PolarHBondContact O-N 3.46Å
49K96.8Very high94.9Very high134 Ų13453 Ų5358%0.58326%0.259SS*.Hα-helixtrans-61.9-43.2172.2-66.6177.4-178.3-178.20111.7E45 I46 L47 A52 T212E45-K49 PolarHBondContact O-N 2.9Å; I46-K49 WeakPolarHBondContact O-CB 3.41Å; I46-K49 PolarHBondContact O-N 2.98Å; L47-K49 VanDerWaalsContact C-N 3.35Å; K49-A52 PolarHBondContact O-N 2.81Å; K49-T212 HydrophobicContact CB-CG2 4.23Å
50L96.8Very high94.8Very high0 Ų058.3 Ų58.30%028%0.28CS..Hα-helixtrans-58.3-50.5175.7179.171.7000111.4F32 F39 I46 L47 M48 A52 E53 C54 I204 L208 T212 V213F32-L50 HydrophobicContact CD2-CD2 3.96Å; F32-L50 HydrophobicContact CE2-CD2 3.97Å; F39-L50 HydrophobicContact CE2-CD2 3.95Å; F39-L50 HydrophobicContact CZ-CD2 4.13Å; I46-L50 PolarHBondContact O-N 3.34Å; L47-L50 HydrophobicContact CD2-CD2 4.26Å; L47-L50 WeakPolarHBondContact O-CB 3.47Å; L47-L50 PolarHBondContact O-N 3.15Å; M48-L50 VanDerWaalsContact C-N 3.35Å; L50-A52 VanDerWaalsContact C-N 3.31Å; L50-A52 PolarHBondContact O-N 3.49Å; L50-E53 PolarHBondContact O-N 2.85Å; L50-C54 WeakPolarHBondContact O-CB 3.29Å; L50-C54 PolarHBondContact O-N 2.79Å; L50-C54 PolarHBondContact O-SG 3.24Å; L50-I204 HydrophobicContact CD1-CD1 3.83Å; L50-I204 HydrophobicContact CD1-CG1 4Å; L50-I204 HydrophobicContact CD1-CG2 3.79Å; L50-I204 HydrophobicContact CD2-CD1 4.17Å; L50-L208 HydrophobicContact CD1-CD1 4.36Å; L50-L208 HydrophobicContact CD1-CD2 3.79Å; L50-L208 HydrophobicContact CD1-CG 3.75Å; L50-T212 HydrophobicContact CB-CG2 4.18Å; L50-V213 HydrophobicContact CD2-CG1 3.97Å
51V96.6Very high94.9Very high0 Ų055.6 Ų55.60%027%0.271CS..Hα-helixtrans-66.4-31.2-179.2169.60000112.5L13 R20 I25 I28 A29 F32 L47 M48 E53L13-V51 HydrophobicContact CD2-CG1 4.27Å; R20-V51 PolarHBondContact NH1-O 3.04Å; I25-V51 HydrophobicContact CB-CG1 4.19Å; I25-V51 HydrophobicContact CG1-CG1 4.29Å; I25-V51 HydrophobicContact CG2-CB 4.09Å; I25-V51 HydrophobicContact CG2-CG1 3.91Å; I28-V51 HydrophobicContact CB-CG1 3.76Å; I28-V51 HydrophobicContact CB-CG2 4.12Å; I28-V51 HydrophobicContact CD1-CG1 3.98Å; I28-V51 HydrophobicContact CG1-CG1 4.46Å; I28-V51 HydrophobicContact CG2-CB 4.44Å; I28-V51 HydrophobicContact CG2-CG1 3.85Å; I28-V51 HydrophobicContact CG2-CG2 3.64Å; A29-V51 HydrophobicContact CB-CG2 4.28Å; F32-V51 HydrophobicContact CD2-CG2 3.96Å; F32-V51 HydrophobicContact CE2-CG2 3.81Å; F32-V51 HydrophobicContact CG-CG2 4.42Å; F32-V51 HydrophobicContact CZ-CG2 4.2Å; L47-V51 WeakPolarHBondContact O-CB 3.32Å; L47-V51 VanDerWaalsContact O-CG2 3.28Å; L47-V51 WeakPolarHBondContact O-CG2 3.38Å; L47-V51 PolarHBondContact O-N 3.06Å; M48-V51 PolarHBondContact O-N 3.35Å; V51-E53 PolarHBondContact O-N 2.82Å
52A95.5Very high94.8Very high28 Ų2853.7 Ų53.723%0.23126%0.258CS..Hα-helixtrans-63.5-27.4176.800000112.5N17 R20 I25 M48 K49 L50N17-A52 WeakPolarHBondContact CB-O 3.49Å; N17-A52 PolarHBondContact ND2-O 3.09Å; R20-A52 PolarHBondContact NH1-O 2.88Å; I25-A52 HydrophobicContact CD1-CB 4.11Å; M48-A52 WeakPolarHBondContact O-CB 3.22Å; M48-A52 PolarHBondContact O-N 3.46Å; K49-A52 PolarHBondContact O-N 2.81Å; L50-A52 VanDerWaalsContact C-N 3.31Å; L50-A52 PolarHBondContact O-N 3.49Å
53E94.5Very high94.7Very high114 Ų11456.8 Ų56.853%0.53327%0.272SS..Hα-helixtrans-114.4-24.8-172.4-68.1-174.1-155.600115.2L50 V51 L208L50-E53 PolarHBondContact O-N 2.85Å; V51-E53 PolarHBondContact O-N 2.82Å; E53-L208 HydrophobicContact CB-CD1 3.96Å; E53-L208 HydrophobicContact CB-CD2 3.86Å
54C93.9Very high94.6Very high1 Ų157 Ų571%0.00727%0.269CS..  trans-70.9157.5-177.972.80000112.4R20 L50 I202 L208R20-C54 PolarHBondContact NH1-O 3.02Å; R20-C54 PolarHBondContact NH2-O 3.35Å; L50-C54 WeakPolarHBondContact O-CB 3.29Å; L50-C54 PolarHBondContact O-N 2.79Å; L50-C54 PolarHBondContact O-SG 3.24Å; C54-I202 HydrophobicContact CB-CD1 4.29Å; C54-L208 HydrophobicContact CB-CD2 4.17Å
55K90.5Very high94.6Very high120 Ų12056.5 Ų56.552%0.52227%0.266SS..EExtended strand (participates in β ladder)trans-124.6140178.8-64.6-178.1-178.5179.30110.3I202 N203K55-I202 VanDerWaalsContact O-CA 3.27Å; K55-I202 WeakPolarHBondContact O-CA 3.44Å; K55-N203 PolarHBondContact O-N 2.96Å; K55-N203 VanDerWaalsContact O-N 3.15Å
56A92.7Very high94.6Very high11 Ų1151.3 Ų51.39%0.09124%0.243CC..EExtended strand (participates in β ladder)trans-76.8143.9169.800000110.2V10 L13 L201 I202V10-A56 HydrophobicContact CG1-CB 4.32Å; L13-A56 HydrophobicContact CB-CB 3.68Å; L13-A56 HydrophobicContact CD1-CB 4.34Å; A56-L201 CarbonylContact C-O 3.59Å; A56-L201 WeakPolarHBondContact CA-O 2.95Å; A56-I202 HydrophobicContact CB-CG2 4.44Å
57E92.5Very high94.5Very high49 Ų4953.4 Ų53.423%0.22925%0.246CC..EExtended strand (participates in β ladder)trans-130.3147.4171-63-174.6-159.300109.2K59 C200 L201 N203E57-K59 VanDerWaalsContact OE2-CE 3.28Å; E57-K59 WeakPolarHBondContact OE2-CE 3.44Å; E57-K59 IonicContact OE2-NZ 2.74Å; E57-K59 PolarHBondContact OE2-NZ 3.36Å; E57-K59 VanDerWaalsContact OE2-NZ 3.12Å; E57-C200 WeakPolarHBondContact O-CA 2.99Å; E57-L201 HydrophobicContact CB-CD1 3.76Å; E57-L201 HydrophobicContact CB-CG 4.32Å; E57-L201 HydrophobicContact CG-CD1 4.38Å; E57-L201 PolarHBondContact N-O 2.81Å; E57-L201 PolarHBondContact O-N 3.02Å; E57-N203 PolarHBondContact OE1-ND2 3.14Å
58F92.7Very high94.2Very high85 Ų8556 Ų5637%0.37326%0.258SS..EExtended strand (participates in β ladder)trans-111.6137172.2-63.9-89.5000109.3V10 S198 V199 C200V10-F58 HydrophobicContact CG1-CE1 4.32Å; V10-F58 HydrophobicContact CG1-CE2 4.26Å; V10-F58 HydrophobicContact CG1-CZ 3.53Å; F58-S198 WeakPolarHBondContact CD1-OG 3.04Å; F58-V199 CarbonylContact C-O 3.52Å; F58-V199 VanDerWaalsContact CA-O 3.32Å; F58-V199 WeakPolarHBondContact CA-O 3.08Å; F58-C200 HydrophobicContact CD1-CB 3.95Å; F58-C200 HydrophobicContact CE1-CB 3.79Å
59K94.4Very high94Very high48 Ų4855.6 Ų55.621%0.20927%0.267CS..EExtended strand (participates in β ladder)trans-123.3130176.1-60-67.1178.4-169.20109.5E57 E63 I65 A155 S198 V199 L201E57-K59 VanDerWaalsContact OE2-CE 3.28Å; E57-K59 WeakPolarHBondContact OE2-CE 3.44Å; E57-K59 IonicContact OE2-NZ 2.74Å; E57-K59 PolarHBondContact OE2-NZ 3.36Å; E57-K59 VanDerWaalsContact OE2-NZ 3.12Å; K59-E63 VanDerWaalsContact CA-OE2 3.24Å; K59-E63 WeakPolarHBondContact CA-OE2 3.35Å; K59-E63 HydrophobicContact CB-CB 4.4Å; K59-E63 WeakPolarHBondContact CD-OE2 3.43Å; K59-I65 HydrophobicContact CB-CD1 4.39Å; K59-I65 HydrophobicContact CB-CG1 4.41Å; K59-I65 HydrophobicContact CG-CD1 4.19Å; K59-I65 HydrophobicContact CG-CG1 4.03Å; K59-A155 HydrophobicContact CB-CB 4.12Å; K59-S198 CarbonylContact O-C 3.46Å; K59-S198 WeakPolarHBondContact O-CA 3.25Å; K59-S198 WeakPolarHBondContact O-CB 3.29Å; K59-V199 PolarHBondContact N-O 3.28Å; K59-V199 PolarHBondContact O-N 3.05Å; K59-L201 HydrophobicContact CG-CD2 3.93Å
60Y92.6Very high93.9Very high111 Ų11153 Ų5344%0.43526%0.259SS..  trans-74.7156.5177.5-68.2-72.1000110.9H62 E63 A155 P194Y60-H62 PolarHBondContact O-N 3.25Å; Y60-E63 WeakPolarHBondContact CD2-OE1 3.47Å; Y60-E63 VanDerWaalsContact N-CD 3.34Å; Y60-E63 PolarHBondContact N-OE2 2.97Å; Y60-E63 VanDerWaalsContact O-CB 3.3Å; Y60-E63 WeakPolarHBondContact O-CB 3.44Å; Y60-E63 WeakPolarHBondContact O-CG 3.22Å; Y60-E63 PolarHBondContact O-N 2.83Å; Y60-A155 VanDerWaalsContact O-CB 3.25Å; Y60-A155 WeakPolarHBondContact O-CB 3.38Å; Y60-P194 HydrophobicContact CD1-CB 4.24Å; Y60-P194 HydrophobicContact CE1-CB 3.62Å
61P91.3Very high93.9Very high29 Ų2959.3 Ų59.319%0.18829%0.291CS..THydrogen-bonded Turntrans-50.5137.6174.7-27.535.3000112E63 P157 Q197P61-E63 PolarHBondContact O-N 2.9Å; P61-P157 HydrophobicContact CB-CB 4.2Å; P61-P157 HydrophobicContact CG-CB 4.29Å; P61-Q197 HydrophobicContact CG-CB 3.96Å; P61-Q197 WeakPolarHBondContact CG-O 3.26Å
62H89.7Confident93.8Very high96 Ų9659.4 Ų59.444%0.44429%0.292SS..THydrogen-bonded Turntrans69.56-176.9-42.895.8000115.6Y60 L154 A155Y60-H62 PolarHBondContact O-N 3.25Å; H62-L154 WeakPolarHBondContact O-CD1 3.5Å; H62-A155 WeakPolarHBondContact CA-O 3.38Å; H62-A155 PolarHBondContact N-O 3.39Å
63E94.1Very high93.8Very high74 Ų7462.8 Ų62.835%0.34631%0.307SS..  trans-73.3139.1167.7-70.8-173.2168.700111.4K59 Y60 P61 A155K59-E63 VanDerWaalsContact CA-OE2 3.24Å; K59-E63 WeakPolarHBondContact CA-OE2 3.35Å; K59-E63 HydrophobicContact CB-CB 4.4Å; K59-E63 WeakPolarHBondContact CD-OE2 3.43Å; Y60-E63 WeakPolarHBondContact CD2-OE1 3.47Å; Y60-E63 VanDerWaalsContact N-CD 3.34Å; Y60-E63 PolarHBondContact N-OE2 2.97Å; Y60-E63 VanDerWaalsContact O-CB 3.3Å; Y60-E63 WeakPolarHBondContact O-CB 3.44Å; Y60-E63 WeakPolarHBondContact O-CG 3.22Å; Y60-E63 PolarHBondContact O-N 2.83Å; P61-E63 PolarHBondContact O-N 2.9Å; E63-A155 PolarHBondContact O-N 3.3Å
64I95Very high93.9Very high46 Ų4658 Ų5824%0.23629%0.286CS..EExtended strand (participates in β ladder)trans-87.4122177.4-64166.6000108.5I66 R67 L125 L154I64-I66 WeakPolarHBondContact CG2-O 3.47Å; I64-R67 VanDerWaalsContact CD1-CZ 3.47Å; I64-R67 VanDerWaalsContact CD1-NH2 3.26Å; I64-R67 HydrophobicContact CG2-CG 3.55Å; I64-L125 HydrophobicContact CD1-CD1 4.12Å; I64-L125 HydrophobicContact CD1-CD2 4.12Å; I64-L125 HydrophobicContact CG1-CD1 4.17Å; I64-L154 HydrophobicContact CG1-CD1 3.52Å
65I96.7Very high94Very high16 Ų1658 Ų588%0.08229%0.285CS..EExtended strand (participates in β ladder)trans-93.1-37.5-177.6-51-179.8000110.4K59 Y76 V83 F138 I153 A155 L201K59-I65 HydrophobicContact CB-CD1 4.39Å; K59-I65 HydrophobicContact CB-CG1 4.41Å; K59-I65 HydrophobicContact CG-CD1 4.19Å; K59-I65 HydrophobicContact CG-CG1 4.03Å; I65-Y76 HydrophobicContact CG2-CD2 4.38Å; I65-Y76 HydrophobicContact CG2-CE2 4.15Å; I65-V83 HydrophobicContact CD1-CG1 3.73Å; I65-F138 HydrophobicContact CG2-CE2 4.05Å; I65-F138 HydrophobicContact CG2-CZ 4.36Å; I65-I153 HydrophobicContact CB-CB 4.28Å; I65-I153 HydrophobicContact CB-CG2 4.16Å; I65-I153 HydrophobicContact CD1-CG2 4.12Å; I65-I153 HydrophobicContact CG1-CG2 4.45Å; I65-I153 PolarHBondContact N-O 2.8Å; I65-A155 HydrophobicContact CD1-CB 4.28Å; I65-L201 HydrophobicContact CD1-CD2 3.75Å; I65-L201 HydrophobicContact CG2-CD2 4Å
66I97.1Very high94.4Very high9 Ų953.5 Ų53.55%0.04627%0.266CS..EExtended strand (participates in β ladder)trans-139.4136.8178-62.6-175.7000107.5I64 Y76 F138 R149 A151 S152 I153I64-I66 WeakPolarHBondContact CG2-O 3.47Å; I66-Y76 HydrophobicContact CD1-CD2 3.87Å; I66-Y76 HydrophobicContact CD1-CE2 3.82Å; I66-Y76 HydrophobicContact CG1-CD2 4.22Å; I66-Y76 HydrophobicContact CG1-CE2 3.75Å; I66-F138 HydrophobicContact CD1-CD2 3.85Å; I66-F138 HydrophobicContact CD1-CE2 4.13Å; I66-R149 HydrophobicContact CG2-CB 3.78Å; I66-R149 HydrophobicContact CG2-CG 3.58Å; I66-A151 WeakPolarHBondContact CG2-O 3.46Å; I66-S152 CarbonylContact O-C 3.51Å; I66-S152 WeakPolarHBondContact O-CA 3.24Å; I66-S152 WeakPolarHBondContact O-CB 3.43Å; I66-I153 HydrophobicContact CB-CB 4.02Å; I66-I153 HydrophobicContact CB-CG1 3.94Å; I66-I153 HydrophobicContact CD1-CG1 3.97Å; I66-I153 HydrophobicContact CG1-CB 4.33Å; I66-I153 HydrophobicContact CG1-CG1 4.17Å; I66-I153 PolarHBondContact N-O 2.72Å; I66-I153 PolarHBondContact O-N 2.74Å
67R95.7Very high94.5Very high103 Ų10353 Ų5339%0.38926%0.261SS..  trans-104.4138163.7-58.9174.1176.4-83.13.5110.1I64 G69 D70 E124 R149I64-R67 VanDerWaalsContact CD1-CZ 3.47Å; I64-R67 VanDerWaalsContact CD1-NH2 3.26Å; I64-R67 HydrophobicContact CG2-CG 3.55Å; R67-G69 PolarHBondContact O-N 2.9Å; R67-D70 WeakPolarHBondContact CB-OD2 3.29Å; R67-D70 WeakPolarHBondContact O-CB 3.48Å; R67-D70 PolarHBondContact O-N 3.23Å; R67-E124 IonicContact CZ-OE1 2.78Å; R67-E124 IonicContact NH1-OE1 3.85Å; R67-E124 PolarHBondContact NH1-OE1 3.28Å; R67-E124 IonicContact NH2-OE1 3.15Å; R67-R149 WeakPolarHBondContact O-CB 3.34Å
68E92.6Very high94.6Very high54 Ų5450.7 Ų50.725%0.25225%0.25SS..THydrogen-bonded Turntrans-55.1135.9168.7-176176.6173.900109.7D70 R88 G89 S152E68-D70 VanDerWaalsContact C-N 3.34Å; E68-R88 WeakPolarHBondContact OE2-CB 3.46Å; E68-R88 PolarHBondContact OE2-N 3.08Å; E68-G89 WeakPolarHBondContact OE1-CA 3.48Å; E68-G89 PolarHBondContact OE1-N 3.36Å; E68-G89 VanDerWaalsContact OE1-N 3.12Å; E68-G89 PolarHBondContact OE2-N 3.09Å; E68-S152 PolarHBondContact N-OG 2.86Å
69G92.2Very high94.6Very high39 Ų3946.7 Ų46.740%0.40223%0.233SC..THydrogen-bonded Turntrans88.8-13.8-177.700000115.3R67 R149R67-G69 PolarHBondContact O-N 2.9Å; G69-R149 PolarHBondContact N-O 2.88Å
70D95.8Very high94.4Very high79 Ų7946 Ų4642%0.42223%0.234SC..SBendtrans-67.3163.6176-72.6-7.5000111.9R67 E68 L148 R149R67-D70 WeakPolarHBondContact CB-OD2 3.29Å; R67-D70 WeakPolarHBondContact O-CB 3.48Å; R67-D70 PolarHBondContact O-N 3.23Å; E68-D70 VanDerWaalsContact C-N 3.34Å; D70-L148 CarbonylContact O-C 3.58Å; D70-L148 WeakPolarHBondContact O-CA 2.94Å; D70-R149 HydrophobicContact CB-CB 4.47Å; D70-R149 HydrophobicContact CB-CG 3.91Å; D70-R149 VanDerWaalsContact O-CG 3.31Å; D70-R149 WeakPolarHBondContact O-CG 3.16Å; D70-R149 PolarHBondContact O-N 2.93Å
71I96Very high94.3Very high133 Ų13341.4 Ų41.468%0.68222%0.221SC*.  trans-67.6133.9171.1-61.4171.6000109.2D73 L148I71-D73 PolarHBondContact O-N 2.8Å; I71-L148 HydrophobicContact CG1-CD2 4.32Å
72G94.4Very high94.3Very high2 Ų242 Ų422%0.02122%0.219CC..  trans-9389.7172.400000112.4L143 R206G72-L143 WeakPolarHBondContact O-CD2 3.24Å; G72-R206 PolarHBondContact O-NH2 3.04Å
73D95.9Very high94.5Very high100 Ų10037.4 Ų37.454%0.53520%0.198SC..  trans-99.2-13.7179.166.6-23.7000113.8I71 R149 R206I71-D73 PolarHBondContact O-N 2.8Å; D73-R149 IonicContact OD1-NH2 2.62Å; D73-R206 WeakPolarHBondContact O-CB 3.21Å; D73-R206 PolarHBondContact O-N 2.92Å
74C96.5Very high94.5Very high13 Ų1334 Ų349%0.08818%0.182CC..EExtended strand (participates in β ladder)trans-143.8171.1178.870.20000112Y76 R149 I204C74-Y76 VanDerWaalsContact SG-CZ 3.55Å; C74-Y76 PolarHBondContact SG-OH 3.25Å; C74-R149 PolarHBondContact O-NH1 3.46Å; C74-R149 PolarHBondContact O-NH2 3.09Å; C74-R149 PolarHBondContact SG-NH2 3.39Å; C74-R149 VanDerWaalsContact SG-NH2 3.43Å; C74-I204 CarbonylContact C-O 3.53Å; C74-I204 VanDerWaalsContact CA-O 3.24Å; C74-I204 WeakPolarHBondContact CA-O 3.3Å; C74-I204 WeakPolarHBondContact CB-O 3.49Å
75M96.7Very high94.3Very high0 Ų033 Ų330%018%0.178CC..EExtended strand (participates in β ladder)trans-129.5170.1166.462.8164.1-77.800109.8V77 V137 E140 L143 I204 Y209 I217M75-V77 HydrophobicContact CE-CG2 4.35Å; M75-V137 HydrophobicContact CE-CB 4.45Å; M75-V137 HydrophobicContact CE-CG1 3.23Å; M75-E140 HydrophobicContact CB-CB 4.49Å; M75-E140 HydrophobicContact CE-CB 4.47Å; M75-E140 HydrophobicContact SD-CB 4.16Å; M75-L143 HydrophobicContact CB-CD1 3.74Å; M75-L143 HydrophobicContact CG-CD1 3.73Å; M75-L143 HydrophobicContact SD-CD1 4.41Å; M75-I204 HydrophobicContact CE-CD1 4.21Å; M75-I204 HydrophobicContact CG-CB 3.9Å; M75-I204 HydrophobicContact CG-CG2 4.41Å; M75-I204 PolarHBondContact N-O 3.42Å; M75-I204 PolarHBondContact O-N 2.82Å; M75-Y209 HydrophobicContact CG-CD2 4.28Å; M75-Y209 HydrophobicContact SD-CD2 3.33Å; M75-Y209 WeakPolarHBondContact SD-CD2 3.2Å; M75-Y209 HydrophobicContact SD-CE2 3.71Å; M75-Y209 HydrophobicContact SD-CG 4.25Å; M75-I217 HydrophobicContact CE-CD1 3.62Å; M75-I217 HydrophobicContact SD-CD1 3.55Å; M75-I217 VanDerWaalsContact SD-CD1 3.55Å
76Y97.4Very high94Very high27 Ų2732.5 Ų32.511%0.10618%0.176CC..EExtended strand (participates in β ladder)trans-129.3151.5-174.7-57.3-79.7000112.3I65 I66 C74 F138 L201 I202 N203I65-Y76 HydrophobicContact CG2-CD2 4.38Å; I65-Y76 HydrophobicContact CG2-CE2 4.15Å; I66-Y76 HydrophobicContact CD1-CD2 3.87Å; I66-Y76 HydrophobicContact CD1-CE2 3.82Å; I66-Y76 HydrophobicContact CG1-CD2 4.22Å; I66-Y76 HydrophobicContact CG1-CE2 3.75Å; C74-Y76 VanDerWaalsContact SG-CZ 3.55Å; C74-Y76 PolarHBondContact SG-OH 3.25Å; Y76-F138 VanDerWaalsContact CB-CZ 3.43Å; Y76-F138 HydrophobicContact CD2-CD2 4.02Å; Y76-F138 AromaticContact CD2-CE2 3.55Å; Y76-F138 HydrophobicContact CD2-CE2 3.55Å; Y76-F138 HydrophobicContact CD2-CZ 4.27Å; Y76-F138 HydrophobicContact CG-CD2 4.45Å; Y76-F138 AromaticContact CG-CE2 3.79Å; Y76-F138 HydrophobicContact CG-CE2 3.79Å; Y76-F138 HydrophobicContact CG-CZ 4.04Å; Y76-F138 PolarHBondContact N-O 3.34Å; Y76-F138 PolarHBondContact O-N 2.71Å; Y76-L201 HydrophobicContact CD1-CD1 3.51Å; Y76-L201 HydrophobicContact CE1-CD1 3.96Å; Y76-L201 HydrophobicContact CG-CD1 4.41Å; Y76-I202 VanDerWaalsContact CA-O 3.26Å; Y76-I202 WeakPolarHBondContact CA-O 3.29Å; Y76-N203 HydrophobicContact CD1-CB 4.09Å; Y76-N203 HydrophobicContact CE1-CB 3.93Å
77V95.7Very high93.3Very high0 Ų033.7 Ų33.70%018%0.18CC..EExtended strand (participates in β ladder)trans-122.9127.2167.8-175.20000108.3I36 F39 M75 L79 V137 L201 I202 I204I36-V77 HydrophobicContact CD1-CG1 3.44Å; I36-V77 VanDerWaalsContact CD1-CG1 3.44Å; I36-V77 HydrophobicContact CG1-CG1 3.86Å; I36-V77 HydrophobicContact CG2-CG1 4.35Å; F39-V77 HydrophobicContact CE2-CG2 4.07Å; F39-V77 HydrophobicContact CZ-CG2 3.96Å; M75-V77 HydrophobicContact CE-CG2 4.35Å; V77-L79 HydrophobicContact CG1-CD2 4.48Å; V77-L79 PolarHBondContact O-N 2.89Å; V77-V137 HydrophobicContact CG2-CG2 4.29Å; V77-L201 CarbonylContact O-C 3.57Å; V77-L201 WeakPolarHBondContact O-CA 3.3Å; V77-L201 WeakPolarHBondContact O-CB 3.41Å; V77-I202 HydrophobicContact CB-CD1 3.99Å; V77-I202 HydrophobicContact CB-CG1 3.58Å; V77-I202 HydrophobicContact CG2-CD1 3.92Å; V77-I202 HydrophobicContact CG2-CG1 3.99Å; V77-I202 PolarHBondContact N-O 3.12Å; V77-I202 VanDerWaalsContact N-O 3.12Å; V77-I202 PolarHBondContact O-N 3.49Å; V77-I204 HydrophobicContact CG2-CD1 3.71Å
78L94Very high92.7Very high0 Ų033.7 Ų33.70%018%0.18CC..EExtended strand (participates in β ladder)trans-80.3112.2179.2-168.953.8000110.1S80 V83 L132 E133 G135 S136 F138 V199L78-S80 WeakPolarHBondContact CD1-O 3.28Å; L78-V83 HydrophobicContact CD1-CG1 4.18Å; L78-V83 HydrophobicContact CD2-CG1 4.31Å; L78-V83 HydrophobicContact CD2-CG2 4.15Å; L78-L132 HydrophobicContact CD2-CB 4.41Å; L78-E133 WeakPolarHBondContact CD2-O 3.32Å; L78-G135 PolarHBondContact O-N 3.32Å; L78-S136 PolarHBondContact N-O 2.88Å; L78-F138 HydrophobicContact CB-CE1 4.16Å; L78-V199 HydrophobicContact CD1-CG1 3.24Å
79L92.9Very high91.7Very high1 Ų131.7 Ų31.71%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-88-37.7179.9-61.6-173.6000112.4L5 L13 W31 F32 V77 C200 I202L5-L79 HydrophobicContact CD2-CD1 3.93Å; L13-L79 HydrophobicContact CD1-CD1 3.79Å; W31-L79 HydrophobicContact CH2-CD2 4.1Å; W31-L79 HydrophobicContact CZ3-CD2 3.76Å; F32-L79 HydrophobicContact CE1-CD2 3.96Å; F32-L79 HydrophobicContact CZ-CD2 4.34Å; V77-L79 HydrophobicContact CG1-CD2 4.48Å; V77-L79 PolarHBondContact O-N 2.89Å; L79-C200 HydrophobicContact CB-CB 4.44Å; L79-C200 PolarHBondContact N-O 3.36Å; L79-I202 HydrophobicContact CD1-CG2 3.69Å; L79-I202 HydrophobicContact CG-CG2 4.25Å
80S90.7Very high90Very high34 Ų3434.3 Ų34.324%0.23818%0.178CC..EExtended strand (participates in β ladder)trans-152.5159.4175.775.90000111.3L78 C200L78-S80 WeakPolarHBondContact CD1-O 3.28Å; S80-C200 PolarHBondContact N-O 3.1Å; S80-C200 PolarHBondContact O-N 3.05Å; S80-C200 VanDerWaalsContact O-N 3.11Å; S80-C200 WeakPolarHBondContact OG-CB 3.19Å
81G90.8Very high87.8Confident15 Ų1534 Ų3416%0.15517%0.174CC..SBendtrans84.3-165.1-177.700000113.6A134 N158G81-A134 PolarHBondContact O-N 2.92Å; G81-N158 WeakPolarHBondContact CA-OD1 3.48Å
82R91.2Very high85Confident41 Ų4132.7 Ų32.716%0.15517%0.169CC..EExtended strand (participates in β ladder)trans-140.5147.8-174.2-56.9177.8-57.6165.20.4110L132 E133 L156 P157 T159 I160 V199R82-L132 WeakPolarHBondContact CA-O 3.46Å; R82-E133 HydrophobicContact CG-CG 4.22Å; R82-L156 HydrophobicContact CB-CB 4.32Å; R82-L156 HydrophobicContact CB-CD1 4.37Å; R82-L156 WeakPolarHBondContact O-CB 3.3Å; R82-L156 PolarHBondContact O-N 3.4Å; R82-P157 PolarHBondContact NH2-O 3.11Å; R82-T159 PolarHBondContact NH2-O 3.47Å; R82-I160 VanDerWaalsContact NH1-CG1 3.31Å; R82-V199 VanDerWaalsContact O-CG2 3.29Å; R82-V199 WeakPolarHBondContact O-CG2 3.35Å
83V94.1Very high82.4Confident0 Ų037 Ų370%020%0.195CC..EExtended strand (participates in β ladder)trans-132.2146.1176.2-55.70000110.2I65 L78 Q131 L132 F138 I153 L154 V199I65-V83 HydrophobicContact CD1-CG1 3.73Å; L78-V83 HydrophobicContact CD1-CG1 4.18Å; L78-V83 HydrophobicContact CD2-CG1 4.31Å; L78-V83 HydrophobicContact CD2-CG2 4.15Å; V83-Q131 CarbonylContact O-C 3.58Å; V83-Q131 VanDerWaalsContact O-CA 3.25Å; V83-Q131 WeakPolarHBondContact O-CA 3.42Å; V83-Q131 WeakPolarHBondContact O-CG 3.42Å; V83-L132 HydrophobicContact CG2-CB 3.74Å; V83-L132 HydrophobicContact CG2-CD1 4.21Å; V83-L132 HydrophobicContact CG2-CG 4.31Å; V83-L132 PolarHBondContact N-O 3.49Å; V83-L132 PolarHBondContact O-N 3.11Å; V83-F138 HydrophobicContact CG2-CE1 4.47Å; V83-I153 HydrophobicContact CB-CG2 3.77Å; V83-I153 HydrophobicContact CG1-CG2 4.3Å; V83-I153 HydrophobicContact CG2-CG2 3.77Å; V83-L154 CarbonylContact C-O 3.49Å; V83-L154 VanDerWaalsContact CA-O 3.26Å; V83-L154 WeakPolarHBondContact CA-O 3.26Å; V83-L154 WeakPolarHBondContact CB-O 3.33Å; V83-V199 HydrophobicContact CG1-CG1 3.91Å; V83-V199 HydrophobicContact CG1-CG2 4.44Å
84S92.7Very high79.5Confident2 Ų239.4 Ų39.41%0.01420%0.203CC..EExtended strand (participates in β ladder)trans-95.6140.6171.940.60000110.9H86 G130 I153 L154 L156S84-H86 PolarHBondContact OG-CE1 3.16Å; S84-G130 WeakPolarHBondContact CA-O 3.48Å; S84-I153 WeakPolarHBondContact O-CA 3.31Å; S84-L154 PolarHBondContact N-O 2.99Å; S84-L154 PolarHBondContact O-N 3.45Å; S84-L154 PolarHBondContact OG-O 3.21Å; S84-L156 WeakPolarHBondContact OG-CD2 3.45Å
85V91.5Very high76.6Confident24 Ų2442.9 Ų42.915%0.14522%0.219CC..EExtended strand (participates in β ladder)trans-99.2124.1172.9-170.90000108.1Q128 V129 G130 L132 A151 I153V85-Q128 CarbonylContact O-C 3.58Å; V85-V129 HydrophobicContact CB-CG2 4.18Å; V85-V129 HydrophobicContact CG1-CG2 3.89Å; V85-V129 WeakPolarHBondContact O-CG2 3.49Å; V85-V129 PolarHBondContact O-N 3.26Å; V85-G130 PolarHBondContact N-O 3.38Å; V85-G130 PolarHBondContact O-N 2.88Å; V85-L132 HydrophobicContact CG2-CD1 4.07Å; V85-L132 HydrophobicContact CG2-CG 3.96Å; V85-A151 HydrophobicContact CG1-CB 3.93Å; V85-I153 HydrophobicContact CB-CD1 4.14Å; V85-I153 HydrophobicContact CG1-CD1 3.97Å; V85-I153 HydrophobicContact CG2-CD1 3.75Å
86H89.9Confident73.7Confident7 Ų748.8 Ų48.83%0.03225%0.251CS..EExtended strand (participates in β ladder)trans-116.6141177.3-61.799.8000109.6S84 L125 G126 P127 Q128 A151 S152S84-H86 PolarHBondContact OG-CE1 3.16Å; H86-L125 HydrophobicContact CB-CB 3.67Å; H86-L125 WeakPolarHBondContact CB-O 3.36Å; H86-G126 PolarHBondContact CD2-O 3.2Å; H86-P127 WeakPolarHBondContact CA-O 3.12Å; H86-Q128 WeakPolarHBondContact CD2-CA 3.3Å; H86-Q128 PolarHBondContact CD2-N 3.46Å; H86-A151 WeakPolarHBondContact O-CB 3.38Å; H86-S152 PolarHBondContact N-O 3.46Å; H86-S152 PolarHBondContact O-N 3.14Å
87Y83.7Confident71Confident34 Ų3456 Ų5613%0.13329%0.286CS..  trans-136.9111.9-179.1-179.9-104.5000109.5G89 P127 T150 A151 Q244 R358Y87-G89 VanDerWaalsContact OH-CA 3.31Å; Y87-G89 WeakPolarHBondContact OH-CA 3.05Å; Y87-P127 PolarHBondContact N-O 2.81Å; Y87-P127 WeakPolarHBondContact O-CD 3.25Å; Y87-T150 WeakPolarHBondContact CD2-O 3.1Å; Y87-T150 WeakPolarHBondContact CE2-O 3.45Å; Y87-A151 HydrophobicContact CD2-CB 4.45Å; Y87-Q244 PolarHBondContact OH-NE2 2.81Å; Y87-R358 VanDerWaalsContact CE1-NH2 3.26Å
88R82.2Confident68.2Low103 Ų10363.8 Ų63.839%0.38932%0.322SS..  trans-76.7-40.8172.7-170.4171.3172160-4109E68 Q91 L125E68-R88 WeakPolarHBondContact OE2-CB 3.46Å; E68-R88 PolarHBondContact OE2-N 3.08Å; R88-Q91 HydrophobicContact CG-CB 4.41Å; R88-Q91 HydrophobicContact CG-CG 4.5Å; R88-Q91 VanDerWaalsContact O-CG 3.23Å; R88-Q91 WeakPolarHBondContact O-CG 3.16Å; R88-Q91 PolarHBondContact O-NE2 3.35Å; R88-L125 PolarHBondContact N-O 3.28Å
89G72.3Confident65.5Low12 Ų1268 Ų6812%0.12434%0.344CS..  trans66.2-169-175.700000113.2E68 Y87 Q91E68-G89 WeakPolarHBondContact OE1-CA 3.48Å; E68-G89 PolarHBondContact OE1-N 3.36Å; E68-G89 VanDerWaalsContact OE1-N 3.12Å; E68-G89 PolarHBondContact OE2-N 3.09Å; Y87-G89 VanDerWaalsContact OH-CA 3.31Å; Y87-G89 WeakPolarHBondContact OH-CA 3.05Å; G89-Q91 PolarHBondContact O-N 2.84Å
90D56.3Low62.8Low94 Ų9474.4 Ų74.450%0.50337%0.373SS..SBendtrans-73.144-177-112-41.7000112.8N92 T93 K240D90-N92 PolarHBondContact O-N 3.39Å; D90-N92 VanDerWaalsContact O-N 3.07Å; D90-T93 WeakPolarHBondContact CB-OG1 3.34Å; D90-T93 PolarHBondContact O-N 3.26Å; D90-T93 PolarHBondContact O-OG1 3.48Å; D90-T93 WeakPolarHBondContact OD1-CG2 3.37Å; D90-T93 PolarHBondContact OD1-OG1 2.94Å; D90-K240 IonicContact OD2-NZ 2.67Å; D90-K240 PolarHBondContact OD2-NZ 2.79Å
91Q49.9Very low60.3Low72 Ų7280.5 Ų80.534%0.33640%0.398SS..THydrogen-bonded Turntrans-63.4-9.2173.3-73.2-173.558.100112.7R88 G89R88-Q91 HydrophobicContact CG-CB 4.41Å; R88-Q91 HydrophobicContact CG-CG 4.5Å; R88-Q91 VanDerWaalsContact O-CG 3.23Å; R88-Q91 WeakPolarHBondContact O-CG 3.16Å; R88-Q91 PolarHBondContact O-NE2 3.35Å; G89-Q91 PolarHBondContact O-N 2.84Å
92N37.5Very low57.5Low106 Ų10686.4 Ų86.457%0.56743%0.425SS*.THydrogen-bonded Turntrans-106.8-5-176.2-68.86.7000114.7D90D90-N92 PolarHBondContact O-N 3.39Å; D90-N92 VanDerWaalsContact O-N 3.07Å
93T38.1Very low54.9Low93 Ų9391.7 Ų91.757%0.57145%0.454SS*.SBendtrans-90.31.5-177.134.30000115.9D90D90-T93 WeakPolarHBondContact CB-OG1 3.34Å; D90-T93 PolarHBondContact O-N 3.26Å; D90-T93 PolarHBondContact O-OG1 3.48Å; D90-T93 WeakPolarHBondContact OD1-CG2 3.37Å; D90-T93 PolarHBondContact OD1-OG1 2.94Å
94E35.6Very low52.1Low150 Ų15098.7 Ų98.770%0.70149%0.491SS*.SBendtrans-140.229.6169.8-70.2-176.5177.300113.6N96E94-N96 PolarHBondContact O-N 3.38Å
95I36.6Very low49.2Very low85 Ų85103.4 Ų103.444%0.43652%0.52SS..  trans-89.670154.7-52.1175.3000105.7E97I95-E97 PolarHBondContact O-N 3.49Å
96N34.4Very low46.3Very low125 Ų125111 Ų11167%0.66855%0.551SS**  trans-54.2136.3158.4-74.2-22.3000106.8E94 E98E94-N96 PolarHBondContact O-N 3.38Å; N96-E98 PolarHBondContact O-N 2.81Å
97E42.1Very low43.4Very low179 Ų179115.7 Ų115.784%0.83658%0.584SS**THydrogen-bonded Turntrans-55.4-2.1-163.2-66.3167150.100116.1I95I95-E97 PolarHBondContact O-N 3.49Å
98E35.7Very low40.8Very low162 Ų162122.1 Ų122.176%0.75762%0.621SS**THydrogen-bonded Turntrans-84.1-19.2-177.7-68.4-177.6163.500115.2N96N96-E98 PolarHBondContact O-N 2.81Å
99I37.5Very low38.3Very low90 Ų90122 Ų12246%0.46264%0.636SS.*Hα-helixtrans-81.9-25.3179.5-62.3179.7000112.1E101 L102 M103I99-E101 PolarHBondContact O-N 2.86Å; I99-L102 PolarHBondContact O-N 3.12Å; I99-M103 HydrophobicContact CG2-CE 3.82Å; I99-M103 HydrophobicContact CG2-CG 4.06Å; I99-M103 HydrophobicContact CG2-SD 4.07Å; I99-M103 PolarHBondContact O-N 2.8Å
100H36.8Very low36.1Very low134 Ų134131 Ų13162%0.6267%0.672SS**Hα-helixtrans-63.9-27179.3-108.4-68.5000112.7
101E36.6Very low34.7Very low163 Ų163133.2 Ų133.276%0.76268%0.683SS**Hα-helixtrans-78.5-32.5175.1-71.1-169.8158.400113.1I99I99-E101 PolarHBondContact O-N 2.86Å
102L33.4Very low33.6Very low138 Ų138135.5 Ų135.572%0.72370%0.704SS**Hα-helixtrans-82.1-24.6-176-71.3170.6000113.9I99I99-L102 PolarHBondContact O-N 3.12Å
103M35.5Very low33.3Very low153 Ų153135.9 Ų135.975%0.75471%0.71SS**THydrogen-bonded Turntrans-82.6-11.6179.4-71.9-167.9173.700114.5I99 V105I99-M103 HydrophobicContact CG2-CE 3.82Å; I99-M103 HydrophobicContact CG2-CG 4.06Å; I99-M103 HydrophobicContact CG2-SD 4.07Å; I99-M103 PolarHBondContact O-N 2.8Å; M103-V105 PolarHBondContact O-N 3.43Å
104N35.5Very low32.9Very low147 Ų147140.6 Ų140.679%0.78672%0.722SS**THydrogen-bonded Turntrans-80.51.2173.3-89.5-10.5000113.9
105V32.9Very low32.8Very low101 Ų101139.6 Ų139.661%0.61272%0.717SS**SBendtrans-10296174.6-173.30000109.8M103M103-V105 PolarHBondContact O-N 3.43Å
106K29.9Very low33.5Very low183 Ų183140.3 Ų140.380%0.79672%0.722SS**  trans86.593.4164.3-55.7167.5-177.5-1790116.6
107S29.9Very low34.8Very low105 Ų105138.7 Ų138.773%0.73472%0.717SS**  trans-154.268.4135.5-75.20000110.2S109S107-S109 VanDerWaalsContact C-N 3.29Å; S107-S109 PolarHBondContact O-N 2.69Å; S107-S109 VanDerWaalsContact O-N 3.08Å
108N28.4Very low35.9Very low170 Ų170133.2 Ų133.291%0.90970%0.698SS**  trans-72.986.4159.9-81.5-10000108.6
109S29.6Very low37.6Very low101 Ų101128.6 Ų128.671%0.70668%0.679SS**  trans-167.674.4155600000109.5S107 I111S107-S109 VanDerWaalsContact C-N 3.29Å; S107-S109 PolarHBondContact O-N 2.69Å; S107-S109 VanDerWaalsContact O-N 3.08Å; S109-I111 PolarHBondContact O-N 2.86Å
110F25.5Very low39.6Very low199 Ų199126.8 Ų126.887%0.87367%0.672SS**  trans-72.6105.5165.1-81.9-95.4000108.7
111I27.7Very low41.8Very low142 Ų142121.4 Ų121.473%0.72865%0.649SS**  trans-105.5117.4151.6-60.1173000104.4S109 V113S109-I111 PolarHBondContact O-N 2.86Å; I111-V113 VanDerWaalsContact C-N 3.3Å; I111-V113 PolarHBondContact O-N 2.81Å
112P27.4Very low43.9Very low120 Ų120116.7 Ų116.778%0.77963%0.628SS**  trans-70.992.2179.428.5-30.4000108.1K114P112-K114 PolarHBondContact O-N 3.11Å
113V30.5Very low46.2Very low114 Ų114116.4 Ų116.469%0.69162%0.623SS**  trans-60.1126.4160.2179.80000105.4I111 Q115I111-V113 VanDerWaalsContact C-N 3.3Å; I111-V113 PolarHBondContact O-N 2.81Å; V113-Q115 VanDerWaalsContact C-N 3.34Å; V113-Q115 PolarHBondContact O-N 3.13Å
114K30.4Very low48.6Very low191 Ų191113.8 Ų113.883%0.8361%0.609SS**  trans-49.6102170.8-69.3177.8177.2-179.80107.3P112 N116P112-K114 PolarHBondContact O-N 3.11Å; K114-N116 PolarHBondContact O-N 3.46Å; K114-N116 VanDerWaalsContact O-N 3.12Å
115Q32Very low51.2Low129 Ų129107 Ų10760%0.60357%0.573SS**  trans-62.3117.8-179.3-74.1174.1-32.400106.7V113 T120V113-Q115 VanDerWaalsContact C-N 3.34Å; V113-Q115 PolarHBondContact O-N 3.13Å; Q115-T120 HydrophobicContact CB-CG2 3.99Å
116N51.4Low53.7Low101 Ų101102.3 Ų102.354%0.5455%0.545SS..  trans-63.7144.1170.6-67.1-45.4000107.1K114 S118 D119K114-N116 PolarHBondContact O-N 3.46Å; K114-N116 VanDerWaalsContact O-N 3.12Å; N116-S118 WeakPolarHBondContact CB-OG 3.14Å; N116-S118 PolarHBondContact O-N 3.38Å; N116-D119 WeakPolarHBondContact O-CB 3.39Å; N116-D119 PolarHBondContact O-N 2.89Å
117V61.2Low56.3Low91 Ų9196.9 Ų96.955%0.55253%0.528SS*.Hα-helixtrans-51.6-29.1178179.70000111.6D119 T120 V121V117-D119 VanDerWaalsContact C-N 3.35Å; V117-D119 PolarHBondContact O-N 3.35Å; V117-T120 PolarHBondContact O-OG1 3.19Å; V117-V121 HydrophobicContact CG1-CG2 4.39Å; V117-V121 WeakPolarHBondContact O-CG2 3.38Å; V117-V121 PolarHBondContact O-N 3.41Å
118S66.5Low58.9Low64 Ų6494.3 Ų94.345%0.44851%0.505SS..Hα-helixtrans-61.3-38173.857.50000114N116 N122N116-S118 WeakPolarHBondContact CB-OG 3.14Å; N116-S118 PolarHBondContact O-N 3.38Å; S118-N122 WeakPolarHBondContact O-CB 3.47Å; S118-N122 PolarHBondContact O-N 3.44Å; S118-N122 PolarHBondContact O-ND2 3.19Å
119D71Confident61.4Low64 Ų6487 Ų8734%0.34247%0.466SS..Hα-helixtrans-74.3-44.3-173.4-59.2-25000109.7N116 V117 V121 N122 E123N116-D119 WeakPolarHBondContact O-CB 3.39Å; N116-D119 PolarHBondContact O-N 2.89Å; V117-D119 VanDerWaalsContact C-N 3.35Å; V117-D119 PolarHBondContact O-N 3.35Å; D119-V121 VanDerWaalsContact C-N 3.35Å; D119-V121 PolarHBondContact O-N 3.33Å; D119-N122 PolarHBondContact O-N 2.9Å; D119-E123 WeakPolarHBondContact O-CG 3.14Å; D119-E123 PolarHBondContact O-N 3.48Å
120T78.9Confident63.9Low52 Ų5282.5 Ų82.532%0.31944%0.436SS..Hα-helixtrans-61.6-41.8175.255.30000112Q115 V117 E123 E124Q115-T120 HydrophobicContact CB-CG2 3.99Å; V117-T120 PolarHBondContact O-OG1 3.19Å; T120-E123 PolarHBondContact O-N 2.88Å; T120-E124 PolarHBondContact O-N 2.88Å; T120-E124 VanDerWaalsContact O-N 3.14Å
121V82.7Confident66.9Low22 Ų2276 Ų7613%0.13341%0.408CS..Hα-helixtrans-65.9-41.3177.8170.60000111.3V117 D119 E124 L125 L154V117-V121 HydrophobicContact CG1-CG2 4.39Å; V117-V121 WeakPolarHBondContact O-CG2 3.38Å; V117-V121 PolarHBondContact O-N 3.41Å; D119-V121 VanDerWaalsContact C-N 3.35Å; D119-V121 PolarHBondContact O-N 3.33Å; V121-E124 PolarHBondContact O-N 2.98Å; V121-L125 HydrophobicContact CG1-CD1 4.17Å; V121-L125 WeakPolarHBondContact O-CB 3.29Å; V121-L125 PolarHBondContact O-N 3.25Å; V121-L154 HydrophobicContact CG1-CD2 3.99Å; V121-L154 HydrophobicContact CG2-CD2 4.38Å
122N82Confident69.9Low63 Ų6370.8 Ų70.834%0.33738%0.382SS..Hα-helixtrans-69-33.4179.3-73.5-35.3000112.5S118 D119 G126 P127 Q128S118-N122 WeakPolarHBondContact O-CB 3.47Å; S118-N122 PolarHBondContact O-N 3.44Å; S118-N122 PolarHBondContact O-ND2 3.19Å; D119-N122 PolarHBondContact O-N 2.9Å; N122-G126 CarbonylContact O-C 3.59Å; N122-G126 WeakPolarHBondContact O-CA 3.37Å; N122-G126 PolarHBondContact O-N 2.86Å; N122-G126 PolarHBondContact OD1-O 2.8Å; N122-P127 WeakPolarHBondContact OD1-CA 3.19Å; N122-Q128 PolarHBondContact OD1-N 3.48Å
123E80.7Confident72.8Confident132 Ų13269.1 Ų69.162%0.61736%0.363SS*.Hα-helixtrans-65.2-41.9173.3-74.9174.2-173.200111.6D119 T120D119-E123 WeakPolarHBondContact O-CG 3.14Å; D119-E123 PolarHBondContact O-N 3.48Å; T120-E123 PolarHBondContact O-N 2.88Å
124E86.5Confident75.6Confident98 Ų9865 Ų6546%0.45834%0.342SS..Hα-helixtrans-77-54.2-178.8-170.1-172.4163.400112.7R67 T120 V121R67-E124 IonicContact CZ-OE1 2.78Å; R67-E124 IonicContact NH1-OE1 3.85Å; R67-E124 PolarHBondContact NH1-OE1 3.28Å; R67-E124 IonicContact NH2-OE1 3.15Å; T120-E124 PolarHBondContact O-N 2.88Å; T120-E124 VanDerWaalsContact O-N 3.14Å; V121-E124 PolarHBondContact O-N 2.98Å
125L90.1Very high78.4Confident6 Ų656.5 Ų56.53%0.03131%0.307CS..Hα-helixtrans-101-5.4-168.1-55.3-176.8000113.8I64 H86 R88 V121 L154I64-L125 HydrophobicContact CD1-CD1 4.12Å; I64-L125 HydrophobicContact CD1-CD2 4.12Å; I64-L125 HydrophobicContact CG1-CD1 4.17Å; H86-L125 HydrophobicContact CB-CB 3.67Å; H86-L125 WeakPolarHBondContact CB-O 3.36Å; R88-L125 PolarHBondContact N-O 3.28Å; V121-L125 HydrophobicContact CG1-CD1 4.17Å; V121-L125 WeakPolarHBondContact O-CB 3.29Å; V121-L125 PolarHBondContact O-N 3.25Å; L125-L154 HydrophobicContact CD1-CB 4.48Å; L125-L154 HydrophobicContact CD1-CD1 4.34Å
126G86.1Confident81.3Confident2 Ų251.6 Ų51.62%0.02129%0.287CS..  trans81.5173.9-169.200000113H86 N122H86-G126 PolarHBondContact CD2-O 3.2Å; N122-G126 CarbonylContact O-C 3.59Å; N122-G126 WeakPolarHBondContact O-CA 3.37Å; N122-G126 PolarHBondContact O-N 2.86Å; N122-G126 PolarHBondContact OD1-O 2.8Å
127P83.3Confident83.3Confident68 Ų6848 Ų4844%0.44227%0.269SS..  trans-59.4148.2-177.325.4-36.4000112.5H86 Y87 N122 V129H86-P127 WeakPolarHBondContact CA-O 3.12Å; Y87-P127 PolarHBondContact N-O 2.81Å; Y87-P127 WeakPolarHBondContact O-CD 3.25Å; N122-P127 WeakPolarHBondContact OD1-CA 3.19Å; P127-V129 WeakPolarHBondContact O-CG1 3.06Å; P127-V129 PolarHBondContact O-N 2.84Å
128Q85.2Confident84.9Confident52 Ų5244 Ų4424%0.24325%0.245CC..EExtended strand (participates in β ladder)trans-67114.5169.2-169.9-1693.200110.5V85 H86 N122 G130V85-Q128 CarbonylContact O-C 3.58Å; H86-Q128 WeakPolarHBondContact CD2-CA 3.3Å; H86-Q128 PolarHBondContact CD2-N 3.46Å; N122-Q128 PolarHBondContact OD1-N 3.48Å; Q128-G130 WeakPolarHBondContact CG-O 3.28Å; Q128-G130 PolarHBondContact NE2-O 3.26Å; Q128-G130 VanDerWaalsContact NE2-O 3.09Å
129V80.2Confident86.2Confident15 Ų1541.7 Ų41.79%0.09123%0.231CC..EExtended strand (participates in β ladder)trans-103.7-14.9-179.2-62.40000112.9V85 P127 N355 R358V85-V129 HydrophobicContact CB-CG2 4.18Å; V85-V129 HydrophobicContact CG1-CG2 3.89Å; V85-V129 WeakPolarHBondContact O-CG2 3.49Å; V85-V129 PolarHBondContact O-N 3.26Å; P127-V129 WeakPolarHBondContact O-CG1 3.06Å; P127-V129 PolarHBondContact O-N 2.84Å; V129-N355 PolarHBondContact O-ND2 3.15Å; V129-N355 PolarHBondContact O-OD1 3.21Å; V129-R358 VanDerWaalsContact CB-NH1 3.34Å
130G83.5Confident87.3Confident7 Ų739.3 Ų39.37%0.07222%0.217CC..EExtended strand (participates in β ladder)trans-160.8173.1-179.600000113.5S84 V85 Q128S84-G130 WeakPolarHBondContact CA-O 3.48Å; V85-G130 PolarHBondContact N-O 3.38Å; V85-G130 PolarHBondContact O-N 2.88Å; Q128-G130 WeakPolarHBondContact CG-O 3.28Å; Q128-G130 PolarHBondContact NE2-O 3.26Å; Q128-G130 VanDerWaalsContact NE2-O 3.09Å
131Q88.6Confident87.9Confident64 Ų6437.7 Ų37.730%0.29921%0.208SC..EExtended strand (participates in β ladder)trans-143.9136.8169.9-174.8171.9-28.800107.8V83 L156V83-Q131 CarbonylContact O-C 3.58Å; V83-Q131 VanDerWaalsContact O-CA 3.25Å; V83-Q131 WeakPolarHBondContact O-CA 3.42Å; V83-Q131 WeakPolarHBondContact O-CG 3.42Å; Q131-L156 HydrophobicContact CG-CD1 3.83Å
132L90Very high88.4Confident32 Ų3236.8 Ų36.817%0.16820%0.202CC..EExtended strand (participates in β ladder)trans-116.1148.7177.5-54.2174.8000109L78 R82 V83 V85 F138L78-L132 HydrophobicContact CD2-CB 4.41Å; R82-L132 WeakPolarHBondContact CA-O 3.46Å; V83-L132 HydrophobicContact CG2-CB 3.74Å; V83-L132 HydrophobicContact CG2-CD1 4.21Å; V83-L132 HydrophobicContact CG2-CG 4.31Å; V83-L132 PolarHBondContact N-O 3.49Å; V83-L132 PolarHBondContact O-N 3.11Å; V85-L132 HydrophobicContact CG2-CD1 4.07Å; V85-L132 HydrophobicContact CG2-CG 3.96Å; L132-F138 HydrophobicContact CD1-CB 3.71Å; L132-F138 HydrophobicContact CD1-CD1 4.01Å; L132-F138 HydrophobicContact CD1-CG 4.08Å
133E88.8Confident89Confident85 Ų8533.8 Ų33.840%0.39719%0.186SC..EExtended strand (participates in β ladder)trans-124.1170.7-179.1-56.5-169.5152.800110.7L78 R82 G135 S136L78-E133 WeakPolarHBondContact CD2-O 3.32Å; R82-E133 HydrophobicContact CG-CG 4.22Å; E133-G135 PolarHBondContact O-N 3.5Å; E133-S136 PolarHBondContact N-OG 2.86Å; E133-S136 WeakPolarHBondContact O-CB 3.43Å; E133-S136 PolarHBondContact O-N 2.93Å; E133-S136 PolarHBondContact O-OG 3.21Å
134A89.5Confident89.6Confident28 Ų2828 Ų2823%0.23116%0.159CC..THydrogen-bonded Turntrans-44.6133.4176.600000113.1G81G81-A134 PolarHBondContact O-N 2.92Å
135G89.2Confident89.9Confident11 Ų1126.5 Ų26.511%0.11315%0.152CC..THydrogen-bonded Turntrans90.8-3.1-172.700000114.8L78 E133L78-G135 PolarHBondContact O-N 3.32Å; E133-G135 PolarHBondContact O-N 3.5Å
136S91.2Very high90Very high26 Ų2632 Ų3218%0.18218%0.182CC..  trans-81.7148.1177.1-55.70000112.4L78 E133L78-S136 PolarHBondContact N-O 2.88Å; E133-S136 PolarHBondContact N-OG 2.86Å; E133-S136 WeakPolarHBondContact O-CB 3.43Å; E133-S136 PolarHBondContact O-N 2.93Å; E133-S136 PolarHBondContact O-OG 3.21Å
137V93.9Very high90.3Very high27 Ų2734.2 Ų34.216%0.16420%0.196CC..EExtended strand (participates in β ladder)trans-106.9138.5172.8171.60000108.8I36 A38 M75 V77 E140 I217I36-V137 HydrophobicContact CG2-CG2 3.77Å; A38-V137 HydrophobicContact CB-CG2 4.08Å; M75-V137 HydrophobicContact CE-CB 4.45Å; M75-V137 HydrophobicContact CE-CG1 3.23Å; V77-V137 HydrophobicContact CG2-CG2 4.29Å; V137-E140 HydrophobicContact CG1-CB 4.3Å; V137-E140 HydrophobicContact CG1-CG 4.49Å; V137-I217 HydrophobicContact CG1-CD1 4.5Å
138F94.6Very high90.8Very high7 Ų735.7 Ų35.73%0.03120%0.2CC..EExtended strand (participates in β ladder)trans-150.9159.6174.961.9-87.7000112.9I65 I66 Y76 L78 V83 L132 E140 I153 L201I65-F138 HydrophobicContact CG2-CE2 4.05Å; I65-F138 HydrophobicContact CG2-CZ 4.36Å; I66-F138 HydrophobicContact CD1-CD2 3.85Å; I66-F138 HydrophobicContact CD1-CE2 4.13Å; Y76-F138 VanDerWaalsContact CB-CZ 3.43Å; Y76-F138 HydrophobicContact CD2-CD2 4.02Å; Y76-F138 AromaticContact CD2-CE2 3.55Å; Y76-F138 HydrophobicContact CD2-CE2 3.55Å; Y76-F138 HydrophobicContact CD2-CZ 4.27Å; Y76-F138 HydrophobicContact CG-CD2 4.45Å; Y76-F138 AromaticContact CG-CE2 3.79Å; Y76-F138 HydrophobicContact CG-CE2 3.79Å; Y76-F138 HydrophobicContact CG-CZ 4.04Å; Y76-F138 PolarHBondContact N-O 3.34Å; Y76-F138 PolarHBondContact O-N 2.71Å; L78-F138 HydrophobicContact CB-CE1 4.16Å; V83-F138 HydrophobicContact CG2-CE1 4.47Å; L132-F138 HydrophobicContact CD1-CB 3.71Å; L132-F138 HydrophobicContact CD1-CD1 4.01Å; L132-F138 HydrophobicContact CD1-CG 4.08Å; F138-E140 VanDerWaalsContact C-N 3.25Å; F138-E140 VanDerWaalsContact C-OE2 3.29Å; F138-E140 VanDerWaalsContact CA-OE2 3.25Å; F138-E140 WeakPolarHBondContact CA-OE2 3.43Å; F138-E140 PolarHBondContact O-N 3.45Å; F138-I153 HydrophobicContact CD2-CD1 4.42Å; F138-I153 HydrophobicContact CD2-CG1 3.94Å; F138-I153 HydrophobicContact CD2-CG2 4.28Å; F138-I153 HydrophobicContact CE2-CB 4.42Å; F138-I153 HydrophobicContact CE2-CG1 4.28Å; F138-I153 HydrophobicContact CE2-CG2 3.92Å; F138-I153 HydrophobicContact CZ-CG2 4.36Å; F138-L201 HydrophobicContact CZ-CD2 4.42Å
139G94.2Very high91.2Very high15 Ų1533.9 Ų33.916%0.15519%0.191CC..SBendtrans82.11.1-176.800000113.9V141 R149G139-V141 VanDerWaalsContact C-N 3.35Å; G139-R149 PolarHBondContact O-NH1 2.87Å
140E93.8Very high91.6Very high13 Ų1336.5 Ų36.56%0.06121%0.207CC..  trans-68.3-31.6179.378.9-73.3-167.700112.9M75 V137 F138 A142 L143 I144 I217 R224M75-E140 HydrophobicContact CB-CB 4.49Å; M75-E140 HydrophobicContact CE-CB 4.47Å; M75-E140 HydrophobicContact SD-CB 4.16Å; V137-E140 HydrophobicContact CG1-CB 4.3Å; V137-E140 HydrophobicContact CG1-CG 4.49Å; F138-E140 VanDerWaalsContact C-N 3.25Å; F138-E140 VanDerWaalsContact C-OE2 3.29Å; F138-E140 VanDerWaalsContact CA-OE2 3.25Å; F138-E140 WeakPolarHBondContact CA-OE2 3.43Å; F138-E140 PolarHBondContact O-N 3.45Å; E140-A142 VanDerWaalsContact C-N 3.25Å; E140-A142 PolarHBondContact O-N 2.83Å; E140-L143 WeakPolarHBondContact O-CA 3.3Å; E140-L143 WeakPolarHBondContact O-CB 3.49Å; E140-L143 PolarHBondContact O-N 2.89Å; E140-I144 HydrophobicContact CB-CD1 4.28Å; E140-I144 HydrophobicContact CG-CD1 3.8Å; E140-I144 WeakPolarHBondContact O-CG1 3.49Å; E140-I144 PolarHBondContact O-N 2.86Å; E140-I217 HydrophobicContact CB-CG2 3.89Å; E140-I217 HydrophobicContact CG-CG2 3.8Å; E140-R224 IonicContact OE1-NH2 3.33Å
141V92Very high92Very high19 Ų1937.1 Ų37.112%0.11521%0.211CC..Hα-helixtrans-58.2-40-175.6-176.60000111.7G139 L143 I144 E145 T150 F221 M247G139-V141 VanDerWaalsContact C-N 3.35Å; V141-L143 PolarHBondContact O-N 3.08Å; V141-I144 PolarHBondContact O-N 3.42Å; V141-E145 HydrophobicContact CG1-CG 4.49Å; V141-E145 WeakPolarHBondContact O-CB 3.44Å; V141-E145 PolarHBondContact O-N 3.35Å; V141-T150 HydrophobicContact CG1-CG2 4.21Å; V141-F221 HydrophobicContact CG1-CE2 4.32Å; V141-F221 HydrophobicContact CG2-CE2 4.01Å; V141-M247 HydrophobicContact CG2-CG 4.04Å; V141-M247 HydrophobicContact CG2-SD 3.64Å
142A93.2Very high92.3Very high2 Ų234.2 Ų34.22%0.01720%0.198CC..Hα-helixtrans-66.5-26.2178.300000113E140 D146 C147 R206E140-A142 VanDerWaalsContact C-N 3.25Å; E140-A142 PolarHBondContact O-N 2.83Å; A142-D146 WeakPolarHBondContact O-CA 3.41Å; A142-D146 PolarHBondContact O-N 2.97Å; A142-C147 VanDerWaalsContact CB-O 3.31Å; A142-C147 WeakPolarHBondContact CB-O 3.44Å; A142-C147 PolarHBondContact O-N 2.86Å; A142-R206 PolarHBondContact O-NH2 2.98Å
143L95.5Very high92.6Very high1 Ų133.1 Ų33.11%0.00519%0.193CC..Hα-helixtrans-86.7-34.7176.9-53.9-173.1000112.8G72 M75 E140 V141 R206 Y209 R214G72-L143 WeakPolarHBondContact O-CD2 3.24Å; M75-L143 HydrophobicContact CB-CD1 3.74Å; M75-L143 HydrophobicContact CG-CD1 3.73Å; M75-L143 HydrophobicContact SD-CD1 4.41Å; E140-L143 WeakPolarHBondContact O-CA 3.3Å; E140-L143 WeakPolarHBondContact O-CB 3.49Å; E140-L143 PolarHBondContact O-N 2.89Å; V141-L143 PolarHBondContact O-N 3.08Å; L143-R206 HydrophobicContact CD2-CB 4.17Å; L143-R206 HydrophobicContact CD2-CG 4.39Å; L143-Y209 HydrophobicContact CB-CD1 3.94Å; L143-Y209 HydrophobicContact CB-CE1 3.73Å; L143-Y209 HydrophobicContact CD1-CD1 3.74Å; L143-Y209 HydrophobicContact CD1-CD2 4.21Å; L143-Y209 HydrophobicContact CD1-CE1 4.27Å; L143-Y209 HydrophobicContact CD1-CG 3.71Å; L143-Y209 HydrophobicContact CG-CD1 4.5Å; L143-R214 PolarHBondContact O-NH1 2.86Å
144I93.5Very high92.9Very high10 Ų1029.5 Ų29.55%0.05118%0.176CC..Hα-helixtrans-69-52179-65.9165.7000109.9E140 V141 Y209 R214 I217 E218 F221E140-I144 HydrophobicContact CB-CD1 4.28Å; E140-I144 HydrophobicContact CG-CD1 3.8Å; E140-I144 WeakPolarHBondContact O-CG1 3.49Å; E140-I144 PolarHBondContact O-N 2.86Å; V141-I144 PolarHBondContact O-N 3.42Å; I144-Y209 WeakPolarHBondContact CG1-OH 3.25Å; I144-R214 PolarHBondContact O-NH2 3.27Å; I144-I217 HydrophobicContact CD1-CG2 4.08Å; I144-E218 HydrophobicContact CG2-CG 4.07Å; I144-F221 HydrophobicContact CD1-CB 3.78Å; I144-F221 HydrophobicContact CD1-CD1 4.19Å; I144-F221 HydrophobicContact CD1-CD2 3.84Å; I144-F221 HydrophobicContact CD1-CE2 4.49Å; I144-F221 HydrophobicContact CD1-CG 3.7Å; I144-F221 HydrophobicContact CG2-CD1 4.02Å; I144-F221 HydrophobicContact CG2-CE1 4.09Å
145E90.9Very high93.2Very high66 Ų6628.1 Ų28.131%0.30817%0.165SC..THydrogen-bonded Turntrans-96.20.3-171-62.4-88177.300113.1V141 F221 K243V141-E145 HydrophobicContact CG1-CG 4.49Å; V141-E145 WeakPolarHBondContact O-CB 3.44Å; V141-E145 PolarHBondContact O-N 3.35Å; E145-F221 HydrophobicContact CG-CE1 4.45Å; E145-F221 HydrophobicContact CG-CZ 4.27Å; E145-F221 WeakPolarHBondContact OE1-CE1 3.48Å; E145-K243 IonicContact OE1-NZ 3.55Å; E145-K243 PolarHBondContact OE1-NZ 3.45Å; E145-K243 IonicContact OE2-NZ 2.72Å; E145-K243 PolarHBondContact OE2-NZ 3.44Å
146D92.9Very high93.3Very high122 Ų12229 Ų2965%0.65217%0.166SC*.THydrogen-bonded Turntrans50.658.6-177.5-154.138.9000113.3A142 R206A142-D146 WeakPolarHBondContact O-CA 3.41Å; A142-D146 PolarHBondContact O-N 2.97Å; D146-R206 IonicContact OD1-CZ 2.71Å; D146-R206 IonicContact OD1-NH1 3.7Å; D146-R206 PolarHBondContact OD1-NH1 2.81Å; D146-R206 IonicContact OD1-NH2 3.9Å; D146-R206 PolarHBondContact OD1-NH2 3.36Å
147C91.9Very high93.2Very high48 Ų4828.6 Ų28.632%0.32416%0.163SC..  trans-135.1172.1-174.965.40000112.3A142A142-C147 VanDerWaalsContact CB-O 3.31Å; A142-C147 WeakPolarHBondContact CB-O 3.44Å; A142-C147 PolarHBondContact O-N 2.86Å
148L93.9Very high92.3Very high100 Ų10030.5 Ų30.552%0.52417%0.172SC..  trans-66.1160.5171.6-59.5176.8000111.3D70 I71 T150D70-L148 CarbonylContact O-C 3.58Å; D70-L148 WeakPolarHBondContact O-CA 2.94Å; I71-L148 HydrophobicContact CG1-CD2 4.32Å; L148-T150 PolarHBondContact O-N 3.49Å
149R94.5Very high91Very high14 Ų1434.1 Ų34.15%0.05320%0.195CC..  trans-55.9126.4176.3-64.7-63.6-169.5-174.10.5110.4I66 R67 G69 D70 D73 C74 G139I66-R149 HydrophobicContact CG2-CB 3.78Å; I66-R149 HydrophobicContact CG2-CG 3.58Å; R67-R149 WeakPolarHBondContact O-CB 3.34Å; G69-R149 PolarHBondContact N-O 2.88Å; D70-R149 HydrophobicContact CB-CB 4.47Å; D70-R149 HydrophobicContact CB-CG 3.91Å; D70-R149 VanDerWaalsContact O-CG 3.31Å; D70-R149 WeakPolarHBondContact O-CG 3.16Å; D70-R149 PolarHBondContact O-N 2.93Å; D73-R149 IonicContact OD1-NH2 2.62Å; C74-R149 PolarHBondContact O-NH1 3.46Å; C74-R149 PolarHBondContact O-NH2 3.09Å; C74-R149 PolarHBondContact SG-NH2 3.39Å; C74-R149 VanDerWaalsContact SG-NH2 3.43Å; G139-R149 PolarHBondContact O-NH1 2.87Å
150T88.6Confident89Confident70 Ų7038.8 Ų38.843%0.42922%0.215SC..  trans-90.3-6.3-172.955.70000114.2Y87 V141 L148Y87-T150 WeakPolarHBondContact CD2-O 3.1Å; Y87-T150 WeakPolarHBondContact CE2-O 3.45Å; V141-T150 HydrophobicContact CG1-CG2 4.21Å; L148-T150 PolarHBondContact O-N 3.49Å
151A91Very high86.2Confident19 Ų1945 Ų4516%0.15724%0.244CC..SBendtrans-161.3161.3179.800000109.8I66 V85 H86 Y87I66-A151 WeakPolarHBondContact CG2-O 3.46Å; V85-A151 HydrophobicContact CG1-CB 3.93Å; H86-A151 WeakPolarHBondContact O-CB 3.38Å; Y87-A151 HydrophobicContact CD2-CB 4.45Å
152S94.8Very high83.3Confident4 Ų452.1 Ų52.13%0.02827%0.274CS..EExtended strand (participates in β ladder)trans-94.6147.1172.9-57.20000111I66 E68 H86I66-S152 CarbonylContact O-C 3.51Å; I66-S152 WeakPolarHBondContact O-CA 3.24Å; I66-S152 WeakPolarHBondContact O-CB 3.43Å; E68-S152 PolarHBondContact N-OG 2.86Å; H86-S152 PolarHBondContact N-O 3.46Å; H86-S152 PolarHBondContact O-N 3.14Å
153I96.2Very high80.1Confident9 Ų958.8 Ų58.85%0.04631%0.31CS..EExtended strand (participates in β ladder)trans-124.9128.2178.6-55.4-66.1000109.2I65 I66 V83 S84 V85 F138I65-I153 HydrophobicContact CB-CB 4.28Å; I65-I153 HydrophobicContact CB-CG2 4.16Å; I65-I153 HydrophobicContact CD1-CG2 4.12Å; I65-I153 HydrophobicContact CG1-CG2 4.45Å; I65-I153 PolarHBondContact N-O 2.8Å; I66-I153 HydrophobicContact CB-CB 4.02Å; I66-I153 HydrophobicContact CB-CG1 3.94Å; I66-I153 HydrophobicContact CD1-CG1 3.97Å; I66-I153 HydrophobicContact CG1-CB 4.33Å; I66-I153 HydrophobicContact CG1-CG1 4.17Å; I66-I153 PolarHBondContact N-O 2.72Å; I66-I153 PolarHBondContact O-N 2.74Å; V83-I153 HydrophobicContact CB-CG2 3.77Å; V83-I153 HydrophobicContact CG1-CG2 4.3Å; V83-I153 HydrophobicContact CG2-CG2 3.77Å; S84-I153 WeakPolarHBondContact O-CA 3.31Å; V85-I153 HydrophobicContact CB-CD1 4.14Å; V85-I153 HydrophobicContact CG1-CD1 3.97Å; V85-I153 HydrophobicContact CG2-CD1 3.75Å; F138-I153 HydrophobicContact CD2-CD1 4.42Å; F138-I153 HydrophobicContact CD2-CG1 3.94Å; F138-I153 HydrophobicContact CD2-CG2 4.28Å; F138-I153 HydrophobicContact CE2-CB 4.42Å; F138-I153 HydrophobicContact CE2-CG1 4.28Å; F138-I153 HydrophobicContact CE2-CG2 3.92Å; F138-I153 HydrophobicContact CZ-CG2 4.36Å
154L95.6Very high76.8Confident8 Ų866.8 Ų66.84%0.04235%0.347CS..EExtended strand (participates in β ladder)trans-123.4133.2-178.5-176.584.7000110H62 I64 V83 S84 V121 L125H62-L154 WeakPolarHBondContact O-CD1 3.5Å; I64-L154 HydrophobicContact CG1-CD1 3.52Å; V83-L154 CarbonylContact C-O 3.49Å; V83-L154 VanDerWaalsContact CA-O 3.26Å; V83-L154 WeakPolarHBondContact CA-O 3.26Å; V83-L154 WeakPolarHBondContact CB-O 3.33Å; S84-L154 PolarHBondContact N-O 2.99Å; S84-L154 PolarHBondContact O-N 3.45Å; S84-L154 PolarHBondContact OG-O 3.21Å; V121-L154 HydrophobicContact CG1-CD2 3.99Å; V121-L154 HydrophobicContact CG2-CD2 4.38Å; L125-L154 HydrophobicContact CD1-CB 4.48Å; L125-L154 HydrophobicContact CD1-CD1 4.34Å
155A95.5Very high73.5Confident0 Ų076.7 Ų76.70%039%0.385CS..EExtended strand (participates in β ladder)trans-67.9134.4174.600000111.5K59 Y60 H62 E63 I65 V199K59-A155 HydrophobicContact CB-CB 4.12Å; Y60-A155 VanDerWaalsContact O-CB 3.25Å; Y60-A155 WeakPolarHBondContact O-CB 3.38Å; H62-A155 WeakPolarHBondContact CA-O 3.38Å; H62-A155 PolarHBondContact N-O 3.39Å; E63-A155 PolarHBondContact O-N 3.3Å; I65-A155 HydrophobicContact CD1-CB 4.28Å; A155-V199 HydrophobicContact CB-CB 4.35Å; A155-V199 HydrophobicContact CB-CG2 3.89Å
156L92.4Very high70.4Confident29 Ų2981.4 Ų81.415%0.15241%0.407CS..EExtended strand (participates in β ladder)trans-106.3151.3179-65.9175000111.5R82 S84 Q131R82-L156 HydrophobicContact CB-CB 4.32Å; R82-L156 HydrophobicContact CB-CD1 4.37Å; R82-L156 WeakPolarHBondContact O-CB 3.3Å; R82-L156 PolarHBondContact O-N 3.4Å; S84-L156 WeakPolarHBondContact OG-CD2 3.45Å; Q131-L156 HydrophobicContact CG-CD1 3.83Å
157P88.3Confident67.3Low18 Ų1881.5 Ų81.512%0.11741%0.414CS..  trans-64.5150.217127.7-33.8000111.7P61 R82 T159P61-P157 HydrophobicContact CB-CB 4.2Å; P61-P157 HydrophobicContact CG-CB 4.29Å; R82-P157 PolarHBondContact NH2-O 3.11Å; P157-T159 VanDerWaalsContact C-N 3.25Å; P157-T159 PolarHBondContact O-N 2.92Å
158N76Confident64.1Low66 Ų6683.9 Ų83.935%0.35343%0.432SS..SBendtrans-68.7-21.8179-78.3-21.6000113.5G81 K196G81-N158 WeakPolarHBondContact CA-OD1 3.48Å; N158-K196 PolarHBondContact ND2-O 3.49Å
159T66.2Low60.7Low84 Ų8486 Ų8652%0.51544%0.444SS..SBendtrans-75.4127.417346.50000110.3R82 P157 E161R82-T159 PolarHBondContact NH2-O 3.47Å; P157-T159 VanDerWaalsContact C-N 3.25Å; P157-T159 PolarHBondContact O-N 2.92Å; T159-E161 PolarHBondContact O-N 2.67Å; T159-E161 VanDerWaalsContact O-N 3.12Å
160I52.6Low57.5Low112 Ų11294.2 Ų94.257%0.57448%0.483SS*.  trans-67.1107.3159.8-59.4159.3000104.4R82 F162R82-I160 VanDerWaalsContact NH1-CG1 3.31Å; I160-F162 HydrophobicContact CG2-CD2 4.46Å; I160-F162 HydrophobicContact CG2-CE2 4.45Å; I160-F162 PolarHBondContact O-N 3.02Å
161E34.8Very low54.5Low143 Ų14398.8 Ų98.867%0.66850%0.499SS*.  trans-59.296.8165.9-72.5178.2176.300107T159 N163T159-E161 PolarHBondContact O-N 2.67Å; T159-E161 VanDerWaalsContact O-N 3.12Å; E161-N163 PolarHBondContact O-N 3.22Å
162F30.9Very low51.5Low169 Ų169105.1 Ų105.174%0.74153%0.525SS*.  trans-65.6112157.4-81.3-89.3000104.5I160 Q164I160-F162 HydrophobicContact CG2-CD2 4.46Å; I160-F162 HydrophobicContact CG2-CE2 4.45Å; I160-F162 PolarHBondContact O-N 3.02Å; F162-Q164 PolarHBondContact O-N 3.35Å
163N26.4Very low48.3Very low142 Ų142112.4 Ų112.476%0.75956%0.558SS**  trans-42.3107167.7-76.5-15.3000107.7E161 Y165E161-N163 PolarHBondContact O-N 3.22Å; N163-Y165 VanDerWaalsContact C-N 3.33Å; N163-Y165 PolarHBondContact O-N 3.29Å
164Q25.3Very low45.3Very low170 Ų170121.1 Ų121.179%0.79460%0.599SS**  trans-66.999178.4-68178.2-1.600106F162 E166F162-Q164 PolarHBondContact O-N 3.35Å; Q164-E166 PolarHBondContact O-N 3.29Å
165Y25.8Very low42.2Very low218 Ų218128.1 Ų128.186%0.85563%0.631SS**  trans-65.692.3149.6-83.5-89.2000105.1N163 P167N163-Y165 VanDerWaalsContact C-N 3.33Å; N163-Y165 PolarHBondContact O-N 3.29Å; Y165-P167 WeakPolarHBondContact O-CD 3.42Å
166E24.9Very low39.7Very low164 Ų164135.9 Ų135.977%0.76667%0.667SS**  trans-58.5116.5170.9-75.7-172.7153.400108.8Q164 S168Q164-E166 PolarHBondContact O-N 3.29Å; E166-S168 PolarHBondContact O-N 3.09Å
167P27.4Very low37.1Very low124 Ų124143.9 Ų143.981%0.80570%0.704SS**  trans-78.8112.9161.9-0.321000106.8Y165Y165-P167 WeakPolarHBondContact O-CD 3.42Å
168S24.8Very low34.8Very low99 Ų99150.3 Ų150.369%0.69273%0.733SS**  trans-46.9133.9170.151.60000113.1E166E166-S168 PolarHBondContact O-N 3.09Å
169N23.7Very low33.1Very low144 Ų144150.8 Ų150.877%0.7773%0.733SS**  trans63111.3148.3-65.3-18.2000119.3
170Q27.2Very low31.6Very low187 Ų187154.1 Ų154.187%0.87474%0.742SS**  trans-175.896.1130.2-95.8157.938.800107.4
171Q25.4Very low30.7Very low166 Ų166155.9 Ų155.978%0.77675%0.748SS**  35.6101.396.3-72.9-175.7-10.300114.1
172H28.5Very low30.7Very low151 Ų151154.1 Ų154.170%0.69974%0.74SS**  175.3141.496.2-95.5-61.8000113.2
173H27.3Very low31.1Very low157 Ų157150.1 Ų150.173%0.72772%0.723SS**  trans-5.6126.2158.3-61.4-67.3000118.3
174H32.1Very low31.3Very low192 Ų192150.1 Ų150.189%0.88972%0.719SS**  -170.577.7120-96.940.4000108.5
175Q31.5Very low31.6Very low156 Ų156150 Ų15073%0.72971%0.711SS**  trans-94.6121.8159-69.2175.4000104.6
176Q42.8Very low32Very low162 Ų162143.9 Ų143.976%0.75769%0.69SS**SBend-166.910.899.5-95.9168.91900115.1
177Q36.7Very low32.5Very low198 Ų198142.8 Ų142.893%0.92569%0.685SS**SBendtrans-111.6-0179.9-75.9-176.43.700116.5
178Q40.8Very low32.9Very low153 Ų153143.8 Ų143.872%0.71568%0.679SS**SBendtrans-104.8-1172.1-68.1-17716.500114.3H180 Q182Q178-H180 PolarHBondContact O-N 2.97Å; Q178-Q182 PolarHBondContact O-N 3.36Å; Q178-Q182 VanDerWaalsContact O-N 3.16Å
179Q39.5Very low33.4Very low75 Ų75144 Ų14435%0.3567%0.669SS.*Hα-helixtrans-68-34.2-176.8-72.9-176.5-1.800113.3Q182 Q183Q179-Q182 PolarHBondContact O-N 2.81Å; Q179-Q183 WeakPolarHBondContact O-CB 3.37Å; Q179-Q183 VanDerWaalsContact O-CG 3.26Å; Q179-Q183 WeakPolarHBondContact O-CG 3.33Å; Q179-Q183 PolarHBondContact O-N 3.47Å
180H36.3Very low33.9Very low155 Ų155143 Ų14372%0.71866%0.659SS**Hα-helixtrans-74.9-34-177.9-89.6-50000114.2Q178 Q184Q178-H180 PolarHBondContact O-N 2.97Å; H180-Q184 PolarHBondContact O-N 3.28Å
181Q32.1Very low34.4Very low149 Ų149142.1 Ų142.170%0.69666%0.655SS**Hα-helixtrans-73.3-39.5171.1-84.9-179.64.700111.2Q183 Q184 W185Q181-Q183 PolarHBondContact O-N 3.43Å; Q181-Q184 PolarHBondContact O-N 3.42Å; Q181-W185 PolarHBondContact O-N 2.98Å; Q181-W185 VanDerWaalsContact O-N 3.09Å
182Q35.8Very low35Very low106 Ų106139.5 Ų139.550%0.49565%0.646SS.*Hα-helixtrans-64.1-35.6175.7-93.8174.1-2.300113.6Q178 Q179 W185 Q186Q178-Q182 PolarHBondContact O-N 3.36Å; Q178-Q182 VanDerWaalsContact O-N 3.16Å; Q179-Q182 PolarHBondContact O-N 2.81Å; Q182-W185 PolarHBondContact O-N 2.94Å; Q182-Q186 VanDerWaalsContact O-CB 3.29Å; Q182-Q186 WeakPolarHBondContact O-CB 3.3Å; Q182-Q186 WeakPolarHBondContact O-CG 3.4Å; Q182-Q186 PolarHBondContact O-N 3.05Å
183Q38.6Very low35.7Very low85 Ų85135.4 Ų135.440%0.39763%0.629SS.*Hα-helixtrans-66.4-37.9178-79.1173.75.900112.8Q179 Q181 Q186 Q187Q179-Q183 WeakPolarHBondContact O-CB 3.37Å; Q179-Q183 VanDerWaalsContact O-CG 3.26Å; Q179-Q183 WeakPolarHBondContact O-CG 3.33Å; Q179-Q183 PolarHBondContact O-N 3.47Å; Q181-Q183 PolarHBondContact O-N 3.43Å; Q183-Q186 PolarHBondContact O-N 3.48Å; Q183-Q187 WeakPolarHBondContact O-CG 3.41Å; Q183-Q187 PolarHBondContact O-N 3.41Å
184Q30.5Very low36.5Very low142 Ų142130.3 Ų130.366%0.66461%0.61SS**Hα-helixtrans-70.7-37.7174-78.6-174.2-0.800112.2H180 Q181 Q186 Q188H180-Q184 PolarHBondContact O-N 3.28Å; Q181-Q184 PolarHBondContact O-N 3.42Å; Q184-Q186 VanDerWaalsContact C-N 3.31Å; Q184-Q186 PolarHBondContact O-N 2.86Å; Q184-Q188 PolarHBondContact O-N 2.89Å
185W32.3Very low37.5Very low166 Ų166126 Ų12663%0.62959%0.592SS**Hα-helixtrans-66.8-29.8172.2-75112.2000113Q181 Q182 Q189Q181-W185 PolarHBondContact O-N 2.98Å; Q181-W185 VanDerWaalsContact O-N 3.09Å; Q182-W185 PolarHBondContact O-N 2.94Å; W185-Q189 VanDerWaalsContact O-CG 3.26Å; W185-Q189 WeakPolarHBondContact O-CG 3.15Å; W185-Q189 PolarHBondContact O-NE2 3.19Å
186Q33.9Very low38.9Very low91 Ų91126.3 Ų126.343%0.42559%0.591SS.*Hα-helixtrans-76.7-44177.4-76.8167.6500112.1Q182 Q183 Q184 Q188 Q189 H190Q182-Q186 VanDerWaalsContact O-CB 3.29Å; Q182-Q186 WeakPolarHBondContact O-CB 3.3Å; Q182-Q186 WeakPolarHBondContact O-CG 3.4Å; Q182-Q186 PolarHBondContact O-N 3.05Å; Q183-Q186 PolarHBondContact O-N 3.48Å; Q184-Q186 VanDerWaalsContact C-N 3.31Å; Q184-Q186 PolarHBondContact O-N 2.86Å; Q186-Q188 PolarHBondContact O-N 3.29Å; Q186-Q189 PolarHBondContact O-N 2.87Å; Q186-Q189 VanDerWaalsContact O-N 3.08Å; Q186-H190 PolarHBondContact O-CD2 3.4Å; Q186-H190 PolarHBondContact O-N 3.25Å
187Q36Very low40.1Very low140 Ų140122.3 Ų122.365%0.65457%0.572SS**Hα-helixtrans-63.8-38.6-178.1-76.5179.713.500113.2Q183 Q189 H190Q183-Q187 WeakPolarHBondContact O-CG 3.41Å; Q183-Q187 PolarHBondContact O-N 3.41Å; Q187-Q189 VanDerWaalsContact C-N 3.28Å; Q187-Q189 PolarHBondContact O-N 3.39Å; Q187-H190 PolarHBondContact O-N 2.86Å
188Q35Very low42.3Very low146 Ų146113.2 Ų113.268%0.68253%0.531SS*.Hα-helixtrans-70.8-24.1174.8-74.6179.44.100112.9Q184 Q186Q184-Q188 PolarHBondContact O-N 2.89Å; Q186-Q188 PolarHBondContact O-N 3.29Å
189Q36.1Very low44.8Very low102 Ų102105.9 Ų105.948%0.47750%0.497SS..Hα-helixtrans-80.3-34.5174.4-71.9178.251.700112.1W185 Q186 Q187 H191 L192 L193W185-Q189 VanDerWaalsContact O-CG 3.26Å; W185-Q189 WeakPolarHBondContact O-CG 3.15Å; W185-Q189 PolarHBondContact O-NE2 3.19Å; Q186-Q189 PolarHBondContact O-N 2.87Å; Q186-Q189 VanDerWaalsContact O-N 3.08Å; Q187-Q189 VanDerWaalsContact C-N 3.28Å; Q187-Q189 PolarHBondContact O-N 3.39Å; Q189-H191 VanDerWaalsContact C-N 3.3Å; Q189-H191 PolarHBondContact O-N 3.44Å; Q189-L192 PolarHBondContact O-N 3.48Å; Q189-L193 HydrophobicContact CB-CD1 3.87Å; Q189-L193 HydrophobicContact CB-CG 4.26Å; Q189-L193 VanDerWaalsContact O-CB 3.3Å; Q189-L193 WeakPolarHBondContact O-CB 3.48Å; Q189-L193 WeakPolarHBondContact O-CD1 3.5Å; Q189-L193 WeakPolarHBondContact O-CG 3.46Å; Q189-L193 PolarHBondContact O-N 3.07Å
190H33.7Very low47.3Very low123 Ų123102.4 Ų102.457%0.56948%0.48SS*.Hα-helixtrans-59.4-32.1-175.8-84.5-68000114.8Q186 Q187 P194Q186-H190 PolarHBondContact O-CD2 3.4Å; Q186-H190 PolarHBondContact O-N 3.25Å; Q187-H190 PolarHBondContact O-N 2.86Å; H190-P194 VanDerWaalsContact O-CD 3.3Å; H190-P194 WeakPolarHBondContact O-CD 3.35Å
191H37.1Very low50.1Low169 Ų16995 Ų9578%0.78245%0.446SS*.THydrogen-bonded Turntrans-80.4-24.8174.6-91.3-59000114.2Q189Q189-H191 VanDerWaalsContact C-N 3.3Å; Q189-H191 PolarHBondContact O-N 3.44Å
192L38.8Very low53.2Low111 Ų11187.9 Ų87.958%0.58141%0.413SS*.THydrogen-bonded Turntrans-95.3-20.7-178.5-68.3167.5000113.3Q189 K196Q189-L192 PolarHBondContact O-N 3.48Å; L192-K196 PolarHBondContact O-N 3.47Å
193L42.3Very low56Low65 Ų6585 Ų8534%0.3440%0.4SS..Hα-helixtrans-58.9-42.2178.5-84.4160000114Q189 I195 K196 Q197Q189-L193 HydrophobicContact CB-CD1 3.87Å; Q189-L193 HydrophobicContact CB-CG 4.26Å; Q189-L193 VanDerWaalsContact O-CB 3.3Å; Q189-L193 WeakPolarHBondContact O-CB 3.48Å; Q189-L193 WeakPolarHBondContact O-CD1 3.5Å; Q189-L193 WeakPolarHBondContact O-CG 3.46Å; Q189-L193 PolarHBondContact O-N 3.07Å; L193-I195 PolarHBondContact O-N 2.89Å; L193-K196 PolarHBondContact O-N 3.38Å; L193-Q197 WeakPolarHBondContact O-CG 3.16Å; L193-Q197 PolarHBondContact O-N 3.31Å
194P45.6Very low58.8Low50 Ų5080.9 Ų80.933%0.32538%0.382SS..Hα-helixtrans-65.6-41.4-177.8-20.632.2000112.8Y60 H190 Q197 S198Y60-P194 HydrophobicContact CD1-CB 4.24Å; Y60-P194 HydrophobicContact CE1-CB 3.62Å; H190-P194 VanDerWaalsContact O-CD 3.3Å; H190-P194 WeakPolarHBondContact O-CD 3.35Å; P194-Q197 PolarHBondContact O-N 2.89Å; P194-S198 PolarHBondContact O-N 3.15Å
195I52.7Low61.9Low103 Ų10376.9 Ų76.953%0.52837%0.369SS..Hα-helixtrans-67.8-41.2179.8-60.5167.8000110L193 Q197 S198L193-I195 PolarHBondContact O-N 2.89Å; I195-Q197 PolarHBondContact O-N 3.22Å; I195-S198 WeakPolarHBondContact O-CB 3.37Å; I195-S198 PolarHBondContact O-N 3.4Å; I195-S198 VanDerWaalsContact O-N 3.11Å; I195-S198 PolarHBondContact O-OG 3.36Å
196K59.3Low65Low161 Ų16172.1 Ų72.170%0.735%0.351SS*.Hα-helixtrans-63.3-20.3176.2-80.8-171.6178-179.10114.1N158 L192 L193N158-K196 PolarHBondContact ND2-O 3.49Å; L192-K196 PolarHBondContact O-N 3.47Å; L193-K196 PolarHBondContact O-N 3.38Å
197Q68.8Low68Low78 Ų7872.2 Ų72.236%0.36436%0.358SS..Hα-helixtrans-99.6-7177.2-67.3-175.7-11.200113.4P61 L193 P194 I195P61-Q197 HydrophobicContact CG-CB 3.96Å; P61-Q197 WeakPolarHBondContact CG-O 3.26Å; L193-Q197 WeakPolarHBondContact O-CG 3.16Å; L193-Q197 PolarHBondContact O-N 3.31Å; P194-Q197 PolarHBondContact O-N 2.89Å; I195-Q197 PolarHBondContact O-N 3.22Å
198S83.8Confident70.9Confident7 Ų766 Ų665%0.04933%0.329CS..  trans-72.3151.8-179.469.80000112.4F58 K59 P194 I195F58-S198 WeakPolarHBondContact CD1-OG 3.04Å; K59-S198 CarbonylContact O-C 3.46Å; K59-S198 WeakPolarHBondContact O-CA 3.25Å; K59-S198 WeakPolarHBondContact O-CB 3.29Å; P194-S198 PolarHBondContact O-N 3.15Å; I195-S198 WeakPolarHBondContact O-CB 3.37Å; I195-S198 PolarHBondContact O-N 3.4Å; I195-S198 VanDerWaalsContact O-N 3.11Å; I195-S198 PolarHBondContact O-OG 3.36Å
199V91.7Very high73.9Confident0 Ų059 Ų590%030%0.296CS..EExtended strand (participates in β ladder)trans-89.2129.4168.9173.80000108.1F58 K59 L78 R82 V83 A155F58-V199 CarbonylContact C-O 3.52Å; F58-V199 VanDerWaalsContact CA-O 3.32Å; F58-V199 WeakPolarHBondContact CA-O 3.08Å; K59-V199 PolarHBondContact N-O 3.28Å; K59-V199 PolarHBondContact O-N 3.05Å; L78-V199 HydrophobicContact CD1-CG1 3.24Å; R82-V199 VanDerWaalsContact O-CG2 3.29Å; R82-V199 WeakPolarHBondContact O-CG2 3.35Å; V83-V199 HydrophobicContact CG1-CG1 3.91Å; V83-V199 HydrophobicContact CG1-CG2 4.44Å; A155-V199 HydrophobicContact CB-CB 4.35Å; A155-V199 HydrophobicContact CB-CG2 3.89Å
200C93.4Very high76.8Confident1 Ų157.4 Ų57.41%0.00729%0.291CS..EExtended strand (participates in β ladder)trans-104.8130.2174.6-173.40000110.1E57 F58 L79 S80E57-C200 WeakPolarHBondContact O-CA 2.99Å; F58-C200 HydrophobicContact CD1-CB 3.95Å; F58-C200 HydrophobicContact CE1-CB 3.79Å; L79-C200 HydrophobicContact CB-CB 4.44Å; L79-C200 PolarHBondContact N-O 3.36Å; S80-C200 PolarHBondContact N-O 3.1Å; S80-C200 PolarHBondContact O-N 3.05Å; S80-C200 VanDerWaalsContact O-N 3.11Å; S80-C200 WeakPolarHBondContact OG-CB 3.19Å
201L95.4Very high79.8Confident0 Ų057.5 Ų57.50%030%0.296CS..EExtended strand (participates in β ladder)trans-141.2162.3-178.75987.2000110.5A56 E57 K59 I65 Y76 V77 F138A56-L201 CarbonylContact C-O 3.59Å; A56-L201 WeakPolarHBondContact CA-O 2.95Å; E57-L201 HydrophobicContact CB-CD1 3.76Å; E57-L201 HydrophobicContact CB-CG 4.32Å; E57-L201 HydrophobicContact CG-CD1 4.38Å; E57-L201 PolarHBondContact N-O 2.81Å; E57-L201 PolarHBondContact O-N 3.02Å; K59-L201 HydrophobicContact CG-CD2 3.93Å; I65-L201 HydrophobicContact CD1-CD2 3.75Å; I65-L201 HydrophobicContact CG2-CD2 4Å; Y76-L201 HydrophobicContact CD1-CD1 3.51Å; Y76-L201 HydrophobicContact CE1-CD1 3.96Å; Y76-L201 HydrophobicContact CG-CD1 4.41Å; V77-L201 CarbonylContact O-C 3.57Å; V77-L201 WeakPolarHBondContact O-CA 3.3Å; V77-L201 WeakPolarHBondContact O-CB 3.41Å; F138-L201 HydrophobicContact CZ-CD2 4.42Å
202I95.7Very high82.6Confident0 Ų050.2 Ų50.20%026%0.263CS..EExtended strand (participates in β ladder)trans-109.2143165.153.8155.2000110.5L13 F32 C54 K55 A56 Y76 V77 L79 I204L13-I202 HydrophobicContact CD1-CG2 3.83Å; F32-I202 HydrophobicContact CE2-CD1 3.52Å; F32-I202 HydrophobicContact CZ-CD1 3.54Å; F32-I202 HydrophobicContact CZ-CG1 4.4Å; C54-I202 HydrophobicContact CB-CD1 4.29Å; K55-I202 VanDerWaalsContact O-CA 3.27Å; K55-I202 WeakPolarHBondContact O-CA 3.44Å; A56-I202 HydrophobicContact CB-CG2 4.44Å; Y76-I202 VanDerWaalsContact CA-O 3.26Å; Y76-I202 WeakPolarHBondContact CA-O 3.29Å; V77-I202 HydrophobicContact CB-CD1 3.99Å; V77-I202 HydrophobicContact CB-CG1 3.58Å; V77-I202 HydrophobicContact CG2-CD1 3.92Å; V77-I202 HydrophobicContact CG2-CG1 3.99Å; V77-I202 PolarHBondContact N-O 3.12Å; V77-I202 VanDerWaalsContact N-O 3.12Å; V77-I202 PolarHBondContact O-N 3.49Å; L79-I202 HydrophobicContact CD1-CG2 3.69Å; L79-I202 HydrophobicContact CG-CG2 4.25Å; I202-I204 HydrophobicContact CD1-CD1 3.95Å; I202-I204 HydrophobicContact CD1-CG1 3.97Å
203N95.2Very high85.4Confident44 Ų4445 Ų4524%0.23524%0.236CC..EExtended strand (participates in β ladder)trans-89.3141.1167.269.512.9000110.1K55 E57 Y76K55-N203 PolarHBondContact O-N 2.96Å; K55-N203 VanDerWaalsContact O-N 3.15Å; E57-N203 PolarHBondContact OE1-ND2 3.14Å; Y76-N203 HydrophobicContact CD1-CB 4.09Å; Y76-N203 HydrophobicContact CE1-CB 3.93Å
204I96.6Very high88Confident0 Ų045 Ų450%023%0.232CC..EExtended strand (participates in β ladder)trans-128.9106.8174.5-55.3174.8000106.3F39 L50 C74 M75 V77 I202 L208F39-I204 HydrophobicContact CZ-CD1 4.3Å; L50-I204 HydrophobicContact CD1-CD1 3.83Å; L50-I204 HydrophobicContact CD1-CG1 4Å; L50-I204 HydrophobicContact CD1-CG2 3.79Å; L50-I204 HydrophobicContact CD2-CD1 4.17Å; C74-I204 CarbonylContact C-O 3.53Å; C74-I204 VanDerWaalsContact CA-O 3.24Å; C74-I204 WeakPolarHBondContact CA-O 3.3Å; C74-I204 WeakPolarHBondContact CB-O 3.49Å; M75-I204 HydrophobicContact CE-CD1 4.21Å; M75-I204 HydrophobicContact CG-CB 3.9Å; M75-I204 HydrophobicContact CG-CG2 4.41Å; M75-I204 PolarHBondContact N-O 3.42Å; M75-I204 PolarHBondContact O-N 2.82Å; V77-I204 HydrophobicContact CG2-CD1 3.71Å; I202-I204 HydrophobicContact CD1-CD1 3.95Å; I202-I204 HydrophobicContact CD1-CG1 3.97Å; I204-L208 HydrophobicContact CG2-CB 4.08Å; I204-L208 HydrophobicContact CG2-CD2 4.2Å; I204-L208 HydrophobicContact CG2-CG 4.04Å
205S96.6Very high90.3Very high57 Ų5750.7 Ų50.740%0.39925%0.254SS..EExtended strand (participates in β ladder)trans-60.9155.6177.969.50000111T207 L208 Y209S205-T207 PolarHBondContact O-N 3.43Å; S205-L208 PolarHBondContact O-N 3.18Å; S205-L208 VanDerWaalsContact O-N 3.07Å; S205-L208 WeakPolarHBondContact OG-CB 3.45Å; S205-L208 PolarHBondContact OG-N 3.42Å; S205-Y209 WeakPolarHBondContact O-CB 3.3Å; S205-Y209 PolarHBondContact O-N 2.95Å
206R96.9Very high92.3Very high66 Ų6647.1 Ų47.125%0.24924%0.239CC..Hα-helixtrans-51.4-42.5175.9178.2174.6-71.1-106.95112.8G72 D73 A142 L143 D146 Y209 N210G72-R206 PolarHBondContact O-NH2 3.04Å; D73-R206 WeakPolarHBondContact O-CB 3.21Å; D73-R206 PolarHBondContact O-N 2.92Å; A142-R206 PolarHBondContact O-NH2 2.98Å; L143-R206 HydrophobicContact CD2-CB 4.17Å; L143-R206 HydrophobicContact CD2-CG 4.39Å; D146-R206 IonicContact OD1-CZ 2.71Å; D146-R206 IonicContact OD1-NH1 3.7Å; D146-R206 PolarHBondContact OD1-NH1 2.81Å; D146-R206 IonicContact OD1-NH2 3.9Å; D146-R206 PolarHBondContact OD1-NH2 3.36Å; R206-Y209 PolarHBondContact O-N 3.02Å; R206-N210 WeakPolarHBondContact O-CB 3.05Å; R206-N210 PolarHBondContact O-N 2.62Å; R206-N210 PolarHBondContact O-ND2 3.3Å
207T97.3Very high93.9Very high94 Ų9439.6 Ų39.658%0.57721%0.207SC*.Hα-helixtrans-61.6-48.7176.8-52.80000111.4S205 N210 N211S205-T207 PolarHBondContact O-N 3.43Å; T207-N210 PolarHBondContact O-N 2.92Å; T207-N211 WeakPolarHBondContact O-CB 3.43Å; T207-N211 VanDerWaalsContact O-CG 3.29Å; T207-N211 PolarHBondContact O-N 2.97Å; T207-N211 PolarHBondContact O-ND2 3.02Å
208L97.1Very high95.1Very high8 Ų837.8 Ų37.84%0.04220%0.199CC..Hα-helixtrans-65.7-42.2-180-175.357.8000111.3L50 E53 C54 I204 S205 N211 T212L50-L208 HydrophobicContact CD1-CD1 4.36Å; L50-L208 HydrophobicContact CD1-CD2 3.79Å; L50-L208 HydrophobicContact CD1-CG 3.75Å; E53-L208 HydrophobicContact CB-CD1 3.96Å; E53-L208 HydrophobicContact CB-CD2 3.86Å; C54-L208 HydrophobicContact CB-CD2 4.17Å; I204-L208 HydrophobicContact CG2-CB 4.08Å; I204-L208 HydrophobicContact CG2-CD2 4.2Å; I204-L208 HydrophobicContact CG2-CG 4.04Å; S205-L208 PolarHBondContact O-N 3.18Å; S205-L208 VanDerWaalsContact O-N 3.07Å; S205-L208 WeakPolarHBondContact OG-CB 3.45Å; S205-L208 PolarHBondContact OG-N 3.42Å; L208-N211 PolarHBondContact O-N 2.91Å; L208-T212 HydrophobicContact CD1-CG2 3.82Å; L208-T212 WeakPolarHBondContact O-CB 3.14Å; L208-T212 WeakPolarHBondContact O-CG2 3.42Å; L208-T212 PolarHBondContact O-N 3.45Å; L208-T212 VanDerWaalsContact O-N 3.08Å; L208-T212 PolarHBondContact O-OG1 3.5Å
209Y97.5Very high95.5Very high0 Ų043.1 Ų43.10%022%0.221CC..Hα-helixtrans-55.2-52.1173.6166.6-103.4000111.7M75 L143 I144 S205 R206 N211 T212 V213 R214 I217M75-Y209 HydrophobicContact CG-CD2 4.28Å; M75-Y209 HydrophobicContact SD-CD2 3.33Å; M75-Y209 WeakPolarHBondContact SD-CD2 3.2Å; M75-Y209 HydrophobicContact SD-CE2 3.71Å; M75-Y209 HydrophobicContact SD-CG 4.25Å; L143-Y209 HydrophobicContact CB-CD1 3.94Å; L143-Y209 HydrophobicContact CB-CE1 3.73Å; L143-Y209 HydrophobicContact CD1-CD1 3.74Å; L143-Y209 HydrophobicContact CD1-CD2 4.21Å; L143-Y209 HydrophobicContact CD1-CE1 4.27Å; L143-Y209 HydrophobicContact CD1-CG 3.71Å; L143-Y209 HydrophobicContact CG-CD1 4.5Å; I144-Y209 WeakPolarHBondContact CG1-OH 3.25Å; S205-Y209 WeakPolarHBondContact O-CB 3.3Å; S205-Y209 PolarHBondContact O-N 2.95Å; R206-Y209 PolarHBondContact O-N 3.02Å; Y209-N211 VanDerWaalsContact C-N 3.3Å; Y209-N211 PolarHBondContact O-N 2.96Å; Y209-T212 PolarHBondContact O-N 3.21Å; Y209-V213 HydrophobicContact CD2-CG2 3.92Å; Y209-V213 PolarHBondContact O-N 3.24Å; Y209-V213 VanDerWaalsContact O-N 3.13Å; Y209-R214 HydrophobicContact CD1-CB 4.1Å; Y209-R214 HydrophobicContact CD1-CG 4.46Å; Y209-R214 HydrophobicContact CD2-CB 4.49Å; Y209-R214 HydrophobicContact CE1-CB 3.72Å; Y209-R214 HydrophobicContact CE1-CG 3.68Å; Y209-R214 HydrophobicContact CE2-CB 4.16Å; Y209-R214 HydrophobicContact CG-CB 4.48Å; Y209-R214 WeakPolarHBondContact O-CB 3.32Å; Y209-R214 PolarHBondContact O-N 2.63Å; Y209-I217 HydrophobicContact CD2-CD1 4.13Å; Y209-I217 HydrophobicContact CE2-CB 4.15Å; Y209-I217 HydrophobicContact CE2-CD1 3.75Å; Y209-I217 HydrophobicContact CE2-CG2 4.29Å
210N97.1Very high95.4Very high69 Ų6944.4 Ų44.437%0.36923%0.227SC..Hα-helixtrans-59.9-39.7-179.9-73.8-20.2000112.2R206 T207 R214R206-N210 WeakPolarHBondContact O-CB 3.05Å; R206-N210 PolarHBondContact O-N 2.62Å; R206-N210 PolarHBondContact O-ND2 3.3Å; T207-N210 PolarHBondContact O-N 2.92Å; N210-R214 WeakPolarHBondContact OD1-CD 3.12Å; N210-R214 PolarHBondContact OD1-NH1 3.06Å
211N96.5Very high95.3Very high124 Ų12444.4 Ų44.466%0.66323%0.227SC*.Hα-helixtrans-84.3-7.2-176.4-66.3-13.9000114T207 L208 Y209T207-N211 WeakPolarHBondContact O-CB 3.43Å; T207-N211 VanDerWaalsContact O-CG 3.29Å; T207-N211 PolarHBondContact O-N 2.97Å; T207-N211 PolarHBondContact O-ND2 3.02Å; L208-N211 PolarHBondContact O-N 2.91Å; Y209-N211 VanDerWaalsContact C-N 3.3Å; Y209-N211 PolarHBondContact O-N 2.96Å
212T96.8Very high95.1Very high17 Ų1749.6 Ų49.610%0.10425%0.247CC..THydrogen-bonded Turntrans-128.1-77.9-175.160.40000113I46 K49 L50 L208 Y209I46-T212 HydrophobicContact CG2-CG2 4.46Å; I46-T212 VanDerWaalsContact CG2-O 3.31Å; I46-T212 WeakPolarHBondContact CG2-O 3.45Å; K49-T212 HydrophobicContact CB-CG2 4.23Å; L50-T212 HydrophobicContact CB-CG2 4.18Å; L208-T212 HydrophobicContact CD1-CG2 3.82Å; L208-T212 WeakPolarHBondContact O-CB 3.14Å; L208-T212 WeakPolarHBondContact O-CG2 3.42Å; L208-T212 PolarHBondContact O-N 3.45Å; L208-T212 VanDerWaalsContact O-N 3.08Å; L208-T212 PolarHBondContact O-OG1 3.5Å; Y209-T212 PolarHBondContact O-N 3.21Å
213V96.6Very high94.7Very high1 Ų152.5 Ų52.51%0.00626%0.261CS..THydrogen-bonded Turntrans-104-2.1-162.4-67.10000114.2F39 L47 L50 Y209 Q215 A216 I217F39-V213 HydrophobicContact CD1-CB 4.32Å; F39-V213 HydrophobicContact CD1-CG1 3.95Å; F39-V213 HydrophobicContact CE1-CB 3.75Å; F39-V213 HydrophobicContact CE1-CG1 3.61Å; F39-V213 HydrophobicContact CE1-CG2 4.04Å; F39-V213 HydrophobicContact CZ-CB 4.42Å; F39-V213 HydrophobicContact CZ-CG1 4.07Å; F39-V213 HydrophobicContact CZ-CG2 4.34Å; L47-V213 HydrophobicContact CD2-CG1 4.21Å; L50-V213 HydrophobicContact CD2-CG1 3.97Å; Y209-V213 HydrophobicContact CD2-CG2 3.92Å; Y209-V213 PolarHBondContact O-N 3.24Å; Y209-V213 VanDerWaalsContact O-N 3.13Å; V213-Q215 PolarHBondContact O-N 3.05Å; V213-A216 PolarHBondContact O-N 3.35Å; V213-I217 HydrophobicContact CB-CD1 4.04Å; V213-I217 HydrophobicContact CB-CG1 4.44Å; V213-I217 HydrophobicContact CG2-CD1 3.67Å; V213-I217 PolarHBondContact O-N 2.77Å
214R96.7Very high94.5Very high66 Ų6651.5 Ų51.525%0.24925%0.254CS..Hα-helixtrans-48.8-54.8-178.4174.7172.6-173.4109.611112.8L143 I144 Y209 N210 A216 I217 E218L143-R214 PolarHBondContact O-NH1 2.86Å; I144-R214 PolarHBondContact O-NH2 3.27Å; Y209-R214 HydrophobicContact CD1-CB 4.1Å; Y209-R214 HydrophobicContact CD1-CG 4.46Å; Y209-R214 HydrophobicContact CD2-CB 4.49Å; Y209-R214 HydrophobicContact CE1-CB 3.72Å; Y209-R214 HydrophobicContact CE1-CG 3.68Å; Y209-R214 HydrophobicContact CE2-CB 4.16Å; Y209-R214 HydrophobicContact CG-CB 4.48Å; Y209-R214 WeakPolarHBondContact O-CB 3.32Å; Y209-R214 PolarHBondContact O-N 2.63Å; N210-R214 WeakPolarHBondContact OD1-CD 3.12Å; N210-R214 PolarHBondContact OD1-NH1 3.06Å; R214-A216 VanDerWaalsContact C-N 3.29Å; R214-A216 PolarHBondContact O-N 2.74Å; R214-I217 PolarHBondContact O-N 2.82Å; R214-E218 IonicContact CZ-OE2 3.72Å; R214-E218 IonicContact NE-OE2 3Å; R214-E218 PolarHBondContact NE-OE2 3.08Å; R214-E218 IonicContact NH2-OE1 3.7Å; R214-E218 IonicContact NH2-OE2 3.1Å; R214-E218 PolarHBondContact NH2-OE2 3.41Å; R214-E218 VanDerWaalsContact NH2-OE2 3.1Å; R214-E218 WeakPolarHBondContact O-CB 3.44Å; R214-E218 PolarHBondContact O-N 3.38Å
215Q95Very high94.1Very high169 Ų16952.2 Ų52.279%0.7926%0.257SS*.Hα-helixtrans-57.8-41.6-175.1-173.3-177.55.200112.4V213 K219V213-Q215 PolarHBondContact O-N 3.05Å; Q215-K219 WeakPolarHBondContact O-CB 3.34Å; Q215-K219 PolarHBondContact O-N 3.47Å; Q215-K219 VanDerWaalsContact O-N 3.13Å
216A93.5Very high93.7Very high27 Ų2756.4 Ų56.422%0.22327%0.268CS..Hα-helixtrans-71.5-46.7-17900000112.1V42 V213 R214 K219 E220V42-A216 HydrophobicContact CG2-CB 3.43Å; V42-A216 VanDerWaalsContact CG2-CB 3.43Å; V213-A216 PolarHBondContact O-N 3.35Å; R214-A216 VanDerWaalsContact C-N 3.29Å; R214-A216 PolarHBondContact O-N 2.74Å; A216-K219 PolarHBondContact O-N 2.91Å; A216-E220 PolarHBondContact O-N 2.72Å; A216-E220 VanDerWaalsContact O-N 3.08Å
217I93.6Very high93.3Very high3 Ų354.6 Ų54.62%0.01526%0.262CS..Hα-helixtrans-65.1-45.5179.6-68.5173.5000111A38 F39 M75 V137 E140 I144 Y209 V213 R214 K219 E220 F221A38-I217 HydrophobicContact CB-CG1 4.19Å; F39-I217 HydrophobicContact CE1-CD1 3.88Å; F39-I217 HydrophobicContact CE1-CG1 4.17Å; M75-I217 HydrophobicContact CE-CD1 3.62Å; M75-I217 HydrophobicContact SD-CD1 3.55Å; M75-I217 VanDerWaalsContact SD-CD1 3.55Å; V137-I217 HydrophobicContact CG1-CD1 4.5Å; E140-I217 HydrophobicContact CB-CG2 3.89Å; E140-I217 HydrophobicContact CG-CG2 3.8Å; I144-I217 HydrophobicContact CD1-CG2 4.08Å; Y209-I217 HydrophobicContact CD2-CD1 4.13Å; Y209-I217 HydrophobicContact CE2-CB 4.15Å; Y209-I217 HydrophobicContact CE2-CD1 3.75Å; Y209-I217 HydrophobicContact CE2-CG2 4.29Å; V213-I217 HydrophobicContact CB-CD1 4.04Å; V213-I217 HydrophobicContact CB-CG1 4.44Å; V213-I217 HydrophobicContact CG2-CD1 3.67Å; V213-I217 PolarHBondContact O-N 2.77Å; R214-I217 PolarHBondContact O-N 2.82Å; I217-K219 VanDerWaalsContact C-N 3.35Å; I217-K219 PolarHBondContact O-N 3.48Å; I217-E220 PolarHBondContact O-N 2.99Å; I217-F221 WeakPolarHBondContact O-CB 3.35Å; I217-F221 PolarHBondContact O-N 3.11Å
218E93.9Very high92.9Very high41 Ų4150.1 Ų50.119%0.19223%0.234CC..Hα-helixtrans-64.6-40.1-179.2-178.3165.2-169.100111.3I144 R214 F221 Y222I144-E218 HydrophobicContact CG2-CG 4.07Å; R214-E218 IonicContact CZ-OE2 3.72Å; R214-E218 IonicContact NE-OE2 3Å; R214-E218 PolarHBondContact NE-OE2 3.08Å; R214-E218 IonicContact NH2-OE1 3.7Å; R214-E218 IonicContact NH2-OE2 3.1Å; R214-E218 PolarHBondContact NH2-OE2 3.41Å; R214-E218 VanDerWaalsContact NH2-OE2 3.1Å; R214-E218 WeakPolarHBondContact O-CB 3.44Å; R214-E218 PolarHBondContact O-N 3.38Å; E218-F221 WeakPolarHBondContact O-CB 3.34Å; E218-F221 PolarHBondContact O-N 2.94Å; E218-Y222 HydrophobicContact CG-CD2 3.75Å; E218-Y222 HydrophobicContact CG-CE2 3.28Å; E218-Y222 WeakPolarHBondContact O-CD2 3.43Å; E218-Y222 PolarHBondContact O-N 3.05Å; E218-Y222 VanDerWaalsContact OE1-CE2 3.3Å; E218-Y222 WeakPolarHBondContact OE1-CE2 3.45Å; E218-Y222 PolarHBondContact OE1-OH 2.91Å
219K91.9Very high92.4Very high119 Ų11953.8 Ų53.852%0.51725%0.25SC..Hα-helixtrans-59.1-49.3172.2-177.8-173.5174.4-169.20111.7Q215 A216 I217 F221 Y222 E223Q215-K219 WeakPolarHBondContact O-CB 3.34Å; Q215-K219 PolarHBondContact O-N 3.47Å; Q215-K219 VanDerWaalsContact O-N 3.13Å; A216-K219 PolarHBondContact O-N 2.91Å; I217-K219 VanDerWaalsContact C-N 3.35Å; I217-K219 PolarHBondContact O-N 3.48Å; K219-F221 VanDerWaalsContact C-N 3.3Å; K219-F221 PolarHBondContact O-N 3.47Å; K219-Y222 PolarHBondContact O-N 3.36Å; K219-E223 VanDerWaalsContact CE-OE1 3.23Å; K219-E223 WeakPolarHBondContact CE-OE1 3.39Å; K219-E223 WeakPolarHBondContact O-CG 3.29Å; K219-E223 PolarHBondContact O-N 2.81Å
220E89.8Confident91.8Very high27 Ų2757.9 Ų57.913%0.12627%0.272CS..Hα-helixtrans-62.3-38.9178.4-175.2179.1-167.600111.9A38 A216 I217 E223 R224A38-E220 WeakPolarHBondContact CA-OE2 3.26Å; A38-E220 WeakPolarHBondContact CB-OE2 3.2Å; A216-E220 PolarHBondContact O-N 2.72Å; A216-E220 VanDerWaalsContact O-N 3.08Å; I217-E220 PolarHBondContact O-N 2.99Å; E220-E223 PolarHBondContact O-N 3.4Å; E220-R224 WeakPolarHBondContact O-CG 3.14Å; E220-R224 PolarHBondContact O-N 3.24Å; E220-R224 VanDerWaalsContact O-N 3.08Å
221F90.9Very high91.2Very high1 Ų155.4 Ų55.40%0.00426%0.258CS..Hα-helixtrans-58.9-50.6175.5175.7-94000111.9V141 I144 E145 I217 E218 K219 R224 I225 M247V141-F221 HydrophobicContact CG1-CE2 4.32Å; V141-F221 HydrophobicContact CG2-CE2 4.01Å; I144-F221 HydrophobicContact CD1-CB 3.78Å; I144-F221 HydrophobicContact CD1-CD1 4.19Å; I144-F221 HydrophobicContact CD1-CD2 3.84Å; I144-F221 HydrophobicContact CD1-CE2 4.49Å; I144-F221 HydrophobicContact CD1-CG 3.7Å; I144-F221 HydrophobicContact CG2-CD1 4.02Å; I144-F221 HydrophobicContact CG2-CE1 4.09Å; E145-F221 HydrophobicContact CG-CE1 4.45Å; E145-F221 HydrophobicContact CG-CZ 4.27Å; E145-F221 WeakPolarHBondContact OE1-CE1 3.48Å; I217-F221 WeakPolarHBondContact O-CB 3.35Å; I217-F221 PolarHBondContact O-N 3.11Å; E218-F221 WeakPolarHBondContact O-CB 3.34Å; E218-F221 PolarHBondContact O-N 2.94Å; K219-F221 VanDerWaalsContact C-N 3.3Å; K219-F221 PolarHBondContact O-N 3.47Å; F221-R224 PolarHBondContact O-N 3.1Å; F221-I225 HydrophobicContact CD1-CD1 3.73Å; F221-I225 HydrophobicContact CE1-CD1 3.23Å; F221-I225 HydrophobicContact CE2-CD1 4.19Å; F221-I225 HydrophobicContact CG-CD1 4.4Å; F221-I225 HydrophobicContact CZ-CD1 3.49Å; F221-I225 VanDerWaalsContact CZ-CD1 3.49Å; F221-I225 PolarHBondContact O-N 3.25Å; F221-I225 VanDerWaalsContact O-N 3.14Å; F221-M247 HydrophobicContact CD2-CE 3.14Å; F221-M247 HydrophobicContact CD2-SD 3.56Å; F221-M247 VanDerWaalsContact CD2-SD 3.56Å; F221-M247 HydrophobicContact CE2-CE 3.26Å; F221-M247 HydrophobicContact CE2-CG 4.4Å; F221-M247 HydrophobicContact CE2-SD 3.48Å; F221-M247 WeakPolarHBondContact CE2-SD 3.47Å; F221-M247 HydrophobicContact CG-CE 4.15Å; F221-M247 HydrophobicContact CZ-CE 4.36Å
222Y90.9Very high90.4Very high108 Ų10851 Ų5142%0.42424%0.235SC..Hα-helixtrans-69.3-33.8178.9-70-56.6000113.3E218 K219 R224 I225 K226E218-Y222 HydrophobicContact CG-CD2 3.75Å; E218-Y222 HydrophobicContact CG-CE2 3.28Å; E218-Y222 WeakPolarHBondContact O-CD2 3.43Å; E218-Y222 PolarHBondContact O-N 3.05Å; E218-Y222 VanDerWaalsContact OE1-CE2 3.3Å; E218-Y222 WeakPolarHBondContact OE1-CE2 3.45Å; E218-Y222 PolarHBondContact OE1-OH 2.91Å; K219-Y222 PolarHBondContact O-N 3.36Å; Y222-R224 VanDerWaalsContact C-N 3.33Å; Y222-R224 PolarHBondContact O-N 2.83Å; Y222-I225 HydrophobicContact CD1-CD1 4.48Å; Y222-I225 PolarHBondContact O-N 2.98Å; Y222-K226 VanDerWaalsContact O-CB 3.3Å; Y222-K226 WeakPolarHBondContact O-CB 3.36Å; Y222-K226 PolarHBondContact O-N 2.85Å
223E88.4Confident89.8Confident62 Ų6250.6 Ų50.629%0.2923%0.231SC..Hα-helixtrans-59.4-43.9172.8-78.6-179.2-175.500111.6K219 E220 K226 Y227 K251K219-E223 VanDerWaalsContact CE-OE1 3.23Å; K219-E223 WeakPolarHBondContact CE-OE1 3.39Å; K219-E223 WeakPolarHBondContact O-CG 3.29Å; K219-E223 PolarHBondContact O-N 2.81Å; E220-E223 PolarHBondContact O-N 3.4Å; E223-K226 PolarHBondContact O-N 3.05Å; E223-Y227 WeakPolarHBondContact O-CB 2.9Å; E223-Y227 PolarHBondContact O-N 3.38Å; E223-K251 IonicContact OE2-NZ 2.76Å; E223-K251 PolarHBondContact OE2-NZ 3.38Å
224R89.9Confident89.3Confident23 Ų2350.5 Ų50.59%0.08723%0.231CC..Hα-helixtrans-61.9-45.8175.9-73.9-174.7-73.8158.5-5111.8E140 E220 F221 Y222 Y227 V228 A246 Y349E140-R224 IonicContact OE1-NH2 3.33Å; E220-R224 WeakPolarHBondContact O-CG 3.14Å; E220-R224 PolarHBondContact O-N 3.24Å; E220-R224 VanDerWaalsContact O-N 3.08Å; F221-R224 PolarHBondContact O-N 3.1Å; Y222-R224 VanDerWaalsContact C-N 3.33Å; Y222-R224 PolarHBondContact O-N 2.83Å; R224-Y227 WeakPolarHBondContact O-CB 3.36Å; R224-Y227 PolarHBondContact O-N 3.19Å; R224-V228 WeakPolarHBondContact O-CG2 3.37Å; R224-V228 PolarHBondContact O-N 3.27Å; R224-A246 HydrophobicContact CB-CB 4.01Å; R224-A246 PolarHBondContact NH1-O 3.47Å; R224-Y349 HydrophobicContact CG-CD1 4.49Å; R224-Y349 HydrophobicContact CG-CE1 3.55Å
225I89.3Confident88.7Confident14 Ų1451.5 Ų51.57%0.07224%0.238CC..Hα-helixtrans-63.4-46178.3-67.8168.6000111.1F221 Y222 Y227 V228 K229 K243 A246F221-I225 HydrophobicContact CD1-CD1 3.73Å; F221-I225 HydrophobicContact CE1-CD1 3.23Å; F221-I225 HydrophobicContact CE2-CD1 4.19Å; F221-I225 HydrophobicContact CG-CD1 4.4Å; F221-I225 HydrophobicContact CZ-CD1 3.49Å; F221-I225 VanDerWaalsContact CZ-CD1 3.49Å; F221-I225 PolarHBondContact O-N 3.25Å; F221-I225 VanDerWaalsContact O-N 3.14Å; Y222-I225 HydrophobicContact CD1-CD1 4.48Å; Y222-I225 PolarHBondContact O-N 2.98Å; I225-Y227 VanDerWaalsContact C-N 3.27Å; I225-Y227 PolarHBondContact O-N 3.16Å; I225-V228 PolarHBondContact O-N 2.96Å; I225-K229 HydrophobicContact CG2-CD 4.27Å; I225-K229 WeakPolarHBondContact O-CG 3.41Å; I225-K229 PolarHBondContact O-N 2.87Å; I225-K243 HydrophobicContact CD1-CG 3.9Å; I225-K243 HydrophobicContact CG1-CG 4.37Å; I225-A246 HydrophobicContact CG1-CB 3.77Å
226K88.2Confident87.9Confident146 Ų14645.4 Ų45.464%0.63521%0.209SC*.Hα-helixtrans-58.7-41.8177.2-176.8179.1179.8178.70110.9Y222 E223 K229 N230Y222-K226 VanDerWaalsContact O-CB 3.3Å; Y222-K226 WeakPolarHBondContact O-CB 3.36Å; Y222-K226 PolarHBondContact O-N 2.85Å; E223-K226 PolarHBondContact O-N 3.05Å; K226-K229 PolarHBondContact O-N 3.04Å; K226-N230 PolarHBondContact O-N 3.21Å; K226-N230 PolarHBondContact O-ND2 3.11Å
227Y87.6Confident87.5Confident28 Ų2844.4 Ų44.411%0.1120%0.2CC..Hα-helixtrans-62.1-49.4176-177.7-104.8000112E223 R224 I225 K229 N230 I231 L249 F272 I273 Q274 Y349E223-Y227 WeakPolarHBondContact O-CB 2.9Å; E223-Y227 PolarHBondContact O-N 3.38Å; R224-Y227 WeakPolarHBondContact O-CB 3.36Å; R224-Y227 PolarHBondContact O-N 3.19Å; I225-Y227 VanDerWaalsContact C-N 3.27Å; I225-Y227 PolarHBondContact O-N 3.16Å; Y227-K229 VanDerWaalsContact C-N 3.3Å; Y227-K229 PolarHBondContact O-N 2.94Å; Y227-N230 WeakPolarHBondContact O-CB 3.3Å; Y227-N230 PolarHBondContact O-N 3.14Å; Y227-I231 HydrophobicContact CD1-CD1 4.16Å; Y227-I231 HydrophobicContact CE1-CD1 3.79Å; Y227-I231 HydrophobicContact CE1-CG1 4.3Å; Y227-I231 PolarHBondContact O-N 3.44Å; Y227-L249 HydrophobicContact CD1-CD1 4.37Å; Y227-F272 HydrophobicContact CE1-CB 3.89Å; Y227-F272 WeakPolarHBondContact OH-CB 3.48Å; Y227-I273 PolarHBondContact OH-O 3.4Å; Y227-Q274 HydrophobicContact CD2-CB 4.26Å; Y227-Q274 HydrophobicContact CD2-CG 3.95Å; Y227-Q274 HydrophobicContact CE2-CB 3.95Å; Y227-Q274 HydrophobicContact CE2-CG 4.1Å; Y227-Y349 AromaticContact CD1-CD2 3.38Å; Y227-Y349 HydrophobicContact CD1-CD2 3.38Å; Y227-Y349 AromaticContact CD1-CE2 3.6Å; Y227-Y349 HydrophobicContact CD1-CE2 3.6Å; Y227-Y349 HydrophobicContact CD1-CG 4.41Å; Y227-Y349 HydrophobicContact CD2-CE2 4.33Å; Y227-Y349 AromaticContact CE1-CD2 3.48Å; Y227-Y349 HydrophobicContact CE1-CD2 3.48Å; Y227-Y349 VanDerWaalsContact CE1-CD2 3.48Å; Y227-Y349 HydrophobicContact CE1-CE2 4.12Å; Y227-Y349 HydrophobicContact CE1-CG 4.42Å; Y227-Y349 AromaticContact CG-CD2 3.96Å; Y227-Y349 HydrophobicContact CG-CD2 3.96Å; Y227-Y349 AromaticContact CG-CE2 3.71Å; Y227-Y349 HydrophobicContact CG-CE2 3.71Å
228V89.9Confident87.1Confident0 Ų046.8 Ų46.80%022%0.217CC..Hα-helixtrans-59.7-39.8178.2171.30000112R224 I225 N230 I231 F234 K242 I245 A246 L249R224-V228 WeakPolarHBondContact O-CG2 3.37Å; R224-V228 PolarHBondContact O-N 3.27Å; I225-V228 PolarHBondContact O-N 2.96Å; V228-N230 PolarHBondContact O-N 3.05Å; V228-I231 PolarHBondContact O-N 3.47Å; V228-I231 VanDerWaalsContact O-N 3.12Å; V228-F234 HydrophobicContact CG1-CB 4.29Å; V228-F234 HydrophobicContact CG1-CD2 4.27Å; V228-K242 HydrophobicContact CG1-CB 4.03Å; V228-K242 HydrophobicContact CG1-CG 4.16Å; V228-I245 HydrophobicContact CG1-CB 4.05Å; V228-I245 HydrophobicContact CG1-CG2 3.82Å; V228-I245 HydrophobicContact CG2-CB 4.46Å; V228-I245 HydrophobicContact CG2-CG2 3.78Å; V228-A246 HydrophobicContact CG2-CB 3.99Å; V228-L249 HydrophobicContact CG2-CD1 3.64Å
229K87Confident86.7Confident84 Ų8448.7 Ų48.737%0.36523%0.229SC..Hα-helixtrans-59.6-25.4175.8-77.9-176174.9-163.70113.1I225 K226 Y227 Q235 D239 K242I225-K229 HydrophobicContact CG2-CD 4.27Å; I225-K229 WeakPolarHBondContact O-CG 3.41Å; I225-K229 PolarHBondContact O-N 2.87Å; K226-K229 PolarHBondContact O-N 3.04Å; Y227-K229 VanDerWaalsContact C-N 3.3Å; Y227-K229 PolarHBondContact O-N 2.94Å; K229-Q235 WeakPolarHBondContact O-CG 3.44Å; K229-D239 VanDerWaalsContact CE-OD1 3.27Å; K229-D239 WeakPolarHBondContact CE-OD1 3.49Å; K229-D239 IonicContact NZ-OD1 3.42Å; K229-D239 PolarHBondContact NZ-OD1 3.26Å; K229-D239 IonicContact NZ-OD2 3.43Å; K229-D239 PolarHBondContact NZ-OD2 3.27Å; K229-D239 VanDerWaalsContact NZ-OD2 3.15Å; K229-K242 HydrophobicContact CG-CD 4.04Å
230N84.4Confident86.2Confident87 Ų8748.1 Ų48.147%0.46523%0.226SC..Hα-helixtrans-89.9-10.6179.7-67.5-20.4000113.6K226 Y227 V228 I232K226-N230 PolarHBondContact O-N 3.21Å; K226-N230 PolarHBondContact O-ND2 3.11Å; Y227-N230 WeakPolarHBondContact O-CB 3.3Å; Y227-N230 PolarHBondContact O-N 3.14Å; V228-N230 PolarHBondContact O-N 3.05Å; N230-I232 PolarHBondContact O-N 3.43Å
231I84.8Confident86Confident16 Ų1647.5 Ų47.58%0.08222%0.224CC..SBendtrans-75.6115.9176.5-62.5173.7000109Y227 V228 Y233 F234 Q235 F272Y227-I231 HydrophobicContact CD1-CD1 4.16Å; Y227-I231 HydrophobicContact CE1-CD1 3.79Å; Y227-I231 HydrophobicContact CE1-CG1 4.3Å; Y227-I231 PolarHBondContact O-N 3.44Å; V228-I231 PolarHBondContact O-N 3.47Å; V228-I231 VanDerWaalsContact O-N 3.12Å; I231-Y233 VanDerWaalsContact C-N 3.35Å; I231-Y233 HydrophobicContact CG2-CD1 4.05Å; I231-Y233 HydrophobicContact CG2-CD2 3.74Å; I231-Y233 HydrophobicContact CG2-CE1 3.76Å; I231-Y233 HydrophobicContact CG2-CE2 3.43Å; I231-Y233 VanDerWaalsContact CG2-CE2 3.43Å; I231-Y233 HydrophobicContact CG2-CG 4.05Å; I231-Y233 VanDerWaalsContact CG2-CZ 3.45Å; I231-Y233 PolarHBondContact O-N 2.97Å; I231-F234 HydrophobicContact CB-CB 4.35Å; I231-F234 HydrophobicContact CB-CD2 3.8Å; I231-F234 HydrophobicContact CB-CG 4.42Å; I231-F234 HydrophobicContact CD1-CD2 3.83Å; I231-F234 HydrophobicContact CD1-CE2 4.05Å; I231-F234 HydrophobicContact CG1-CD2 4.42Å; I231-F234 HydrophobicContact CG2-CB 4.46Å; I231-F234 HydrophobicContact CG2-CD2 3.58Å; I231-F234 HydrophobicContact CG2-CE2 4.08Å; I231-F234 HydrophobicContact CG2-CG 4.15Å; I231-F234 WeakPolarHBondContact O-CA 3.21Å; I231-F234 PolarHBondContact O-N 2.99Å; I231-Q235 PolarHBondContact O-N 3.47Å; I231-Q235 VanDerWaalsContact O-N 3.15Å; I231-F272 HydrophobicContact CD1-CD1 3.85Å; I231-F272 HydrophobicContact CD1-CE1 4.15Å
232I79.6Confident85.8Confident33 Ų3348.5 Ų48.517%0.16923%0.228CC..G310 helixtrans-44.8-55.1-174.3-65.2174.2000112.3N230 F234 Q235 P312 Q385N230-I232 PolarHBondContact O-N 3.43Å; I232-F234 PolarHBondContact O-N 2.95Å; I232-F234 VanDerWaalsContact O-N 3.12Å; I232-Q235 WeakPolarHBondContact O-CB 3.5Å; I232-Q235 PolarHBondContact O-N 3.26Å; I232-Q235 VanDerWaalsContact O-N 3.1Å; I232-P312 HydrophobicContact CD1-CB 3.71Å; I232-P312 HydrophobicContact CD1-CG 3.39Å; I232-P312 HydrophobicContact CG1-CG 3.84Å; I232-Q385 PolarHBondContact O-OE1 3.47Å
233Y83.3Confident85.7Confident7 Ų746.6 Ų46.63%0.02722%0.222CC..G310 helixtrans-72.2-3-177.147.1-93.8000115.6I231 H236 F272 T382 F386 L389I231-Y233 VanDerWaalsContact C-N 3.35Å; I231-Y233 HydrophobicContact CG2-CD1 4.05Å; I231-Y233 HydrophobicContact CG2-CD2 3.74Å; I231-Y233 HydrophobicContact CG2-CE1 3.76Å; I231-Y233 HydrophobicContact CG2-CE2 3.43Å; I231-Y233 VanDerWaalsContact CG2-CE2 3.43Å; I231-Y233 HydrophobicContact CG2-CG 4.05Å; I231-Y233 VanDerWaalsContact CG2-CZ 3.45Å; I231-Y233 PolarHBondContact O-N 2.97Å; Y233-H236 PolarHBondContact O-CE1 3.46Å; Y233-F272 HydrophobicContact CE2-CE1 4.11Å; Y233-F272 WeakPolarHBondContact OH-CE1 3.14Å; Y233-T382 WeakPolarHBondContact CB-O 3.46Å; Y233-T382 HydrophobicContact CD2-CG2 4.44Å; Y233-T382 WeakPolarHBondContact O-CA 3.12Å; Y233-T382 VanDerWaalsContact O-CB 3.27Å; Y233-T382 WeakPolarHBondContact O-CB 3.33Å; Y233-T382 VanDerWaalsContact O-CG2 3.23Å; Y233-T382 WeakPolarHBondContact O-CG2 3.33Å; Y233-T382 PolarHBondContact O-OG1 2.94Å; Y233-F386 HydrophobicContact CD1-CB 4.44Å; Y233-F386 HydrophobicContact CD1-CD2 4.29Å; Y233-F386 HydrophobicContact CD2-CD2 4.21Å; Y233-F386 AromaticContact CE1-CD2 3.96Å; Y233-F386 HydrophobicContact CE1-CD2 3.96Å; Y233-F386 AromaticContact CE2-CD2 3.85Å; Y233-F386 HydrophobicContact CE2-CD2 3.85Å; Y233-F386 HydrophobicContact CE2-CE2 4.43Å; Y233-F386 HydrophobicContact CG-CB 4.25Å; Y233-F386 HydrophobicContact CG-CD2 4.4Å; Y233-F386 AromaticContact CZ-CD2 3.71Å; Y233-L389 HydrophobicContact CD1-CD1 3.56Å; Y233-L389 HydrophobicContact CE1-CD1 3.62Å
234F87.1Confident85.5Confident0 Ų045.3 Ų45.30%022%0.216CC..G310 helixtrans-110.8-4.8171.4-60.1-35.8000113.2V228 I231 I232 H236 L237 K242 I245 F272 M351 I360 T382V228-F234 HydrophobicContact CG1-CB 4.29Å; V228-F234 HydrophobicContact CG1-CD2 4.27Å; I231-F234 HydrophobicContact CB-CB 4.35Å; I231-F234 HydrophobicContact CB-CD2 3.8Å; I231-F234 HydrophobicContact CB-CG 4.42Å; I231-F234 HydrophobicContact CD1-CD2 3.83Å; I231-F234 HydrophobicContact CD1-CE2 4.05Å; I231-F234 HydrophobicContact CG1-CD2 4.42Å; I231-F234 HydrophobicContact CG2-CB 4.46Å; I231-F234 HydrophobicContact CG2-CD2 3.58Å; I231-F234 HydrophobicContact CG2-CE2 4.08Å; I231-F234 HydrophobicContact CG2-CG 4.15Å; I231-F234 WeakPolarHBondContact O-CA 3.21Å; I231-F234 PolarHBondContact O-N 2.99Å; I232-F234 PolarHBondContact O-N 2.95Å; I232-F234 VanDerWaalsContact O-N 3.12Å; F234-H236 VanDerWaalsContact C-N 3.31Å; F234-H236 PolarHBondContact O-N 3.28Å; F234-L237 HydrophobicContact CB-CD1 4.12Å; F234-L237 HydrophobicContact CD1-CD1 3.63Å; F234-L237 HydrophobicContact CE1-CD1 4.48Å; F234-L237 HydrophobicContact CG-CD1 4.23Å; F234-L237 WeakPolarHBondContact O-CB 3.39Å; F234-L237 PolarHBondContact O-N 3.32Å; F234-L237 VanDerWaalsContact O-N 3.17Å; F234-K242 WeakPolarHBondContact O-CE 3.23Å; F234-I245 HydrophobicContact CB-CD1 4.46Å; F234-I245 HydrophobicContact CD1-CD1 3.83Å; F234-I245 HydrophobicContact CD2-CD1 4.25Å; F234-I245 HydrophobicContact CD2-CG2 4.2Å; F234-I245 HydrophobicContact CE1-CD1 4.05Å; F234-I245 HydrophobicContact CE2-CD1 4.46Å; F234-I245 HydrophobicContact CE2-CG2 4Å; F234-I245 HydrophobicContact CG-CD1 3.94Å; F234-I245 HydrophobicContact CZ-CD1 4.37Å; F234-F272 HydrophobicContact CE2-CE1 4.21Å; F234-F272 HydrophobicContact CE2-CZ 4.41Å; F234-M351 HydrophobicContact CE2-CE 4.35Å; F234-M351 HydrophobicContact CZ-CE 4.33Å; F234-I360 HydrophobicContact CE1-CG1 4.14Å; F234-I360 HydrophobicContact CZ-CG1 4.12Å; F234-T382 HydrophobicContact CD1-CG2 3.89Å; F234-T382 HydrophobicContact CE1-CG2 3.78Å
235Q84Confident85.5Confident86 Ų8644.2 Ų44.240%0.40221%0.212SC..THydrogen-bonded Turntrans-59.5-37.6-174.5-80.3173.1-0.500113.4K229 I231 I232 K242K229-Q235 WeakPolarHBondContact O-CG 3.44Å; I231-Q235 PolarHBondContact O-N 3.47Å; I231-Q235 VanDerWaalsContact O-N 3.15Å; I232-Q235 WeakPolarHBondContact O-CB 3.5Å; I232-Q235 PolarHBondContact O-N 3.26Å; I232-Q235 VanDerWaalsContact O-N 3.1Å; Q235-K242 VanDerWaalsContact O-CE 3.25Å; Q235-K242 WeakPolarHBondContact O-CE 3.45Å; Q235-K242 PolarHBondContact O-NZ 2.73Å
236H77.9Confident85.6Confident41 Ų4143.6 Ų43.619%0.1921%0.208CC..THydrogen-bonded Turntrans-84.2-7.4-178.155-87.8000114.3Y233 F234 M378 L381 T382Y233-H236 PolarHBondContact O-CE1 3.46Å; F234-H236 VanDerWaalsContact C-N 3.31Å; F234-H236 PolarHBondContact O-N 3.28Å; H236-M378 HydrophobicContact CB-SD 3.84Å; H236-M378 PolarHBondContact CD2-O 2.71Å; H236-M378 VanDerWaalsContact CD2-O 3.31Å; H236-M378 VanDerWaalsContact CD2-SD 3.51Å; H236-M378 PolarHBondContact NE2-O 3.11Å; H236-L381 HydrophobicContact CB-CD2 4.19Å; H236-T382 PolarHBondContact CE1-OG1 3.29Å; H236-T382 PolarHBondContact NE2-N 3.46Å; H236-T382 PolarHBondContact NE2-OG1 3.37Å
237L84.6Confident85.5Confident6 Ų639 Ų393%0.03119%0.19CC..SBendtrans-70.2153.6178.3-61.8178.8000111.4F234 I241 K242 I245 M378F234-L237 HydrophobicContact CB-CD1 4.12Å; F234-L237 HydrophobicContact CD1-CD1 3.63Å; F234-L237 HydrophobicContact CE1-CD1 4.48Å; F234-L237 HydrophobicContact CG-CD1 4.23Å; F234-L237 WeakPolarHBondContact O-CB 3.39Å; F234-L237 PolarHBondContact O-N 3.32Å; F234-L237 VanDerWaalsContact O-N 3.17Å; L237-I241 HydrophobicContact CB-CB 4.49Å; L237-I241 HydrophobicContact CB-CG2 4.37Å; L237-I241 HydrophobicContact CD1-CG2 3.97Å; L237-K242 HydrophobicContact CB-CG 4.18Å; L237-K242 WeakPolarHBondContact O-CD 3.39Å; L237-K242 WeakPolarHBondContact O-CE 3.34Å; L237-K242 PolarHBondContact O-NZ 3.44Å; L237-I245 HydrophobicContact CD1-CD1 3.56Å; L237-M378 HydrophobicContact CD2-CB 4.21Å
238S85.1Confident85.5Confident54 Ų5438.5 Ų38.538%0.37819%0.19SC..  trans-63.5154.2174.868.20000111.5K240 I241 K242S238-K240 VanDerWaalsContact C-N 3.26Å; S238-K240 PolarHBondContact O-N 3.05Å; S238-I241 PolarHBondContact O-N 2.96Å; S238-I241 VanDerWaalsContact O-N 3.09Å; S238-I241 WeakPolarHBondContact OG-CG1 3.3Å; S238-K242 WeakPolarHBondContact O-CG 3.23Å; S238-K242 PolarHBondContact O-N 3.44Å
239D85.8Confident85.5Confident80 Ų8038.7 Ų38.743%0.42819%0.192SC..Hα-helixtrans-62.4-33.6179.6-86.4-1.6000112.2K229 I241 K242 K243K229-D239 VanDerWaalsContact CE-OD1 3.27Å; K229-D239 WeakPolarHBondContact CE-OD1 3.49Å; K229-D239 IonicContact NZ-OD1 3.42Å; K229-D239 PolarHBondContact NZ-OD1 3.26Å; K229-D239 IonicContact NZ-OD2 3.43Å; K229-D239 PolarHBondContact NZ-OD2 3.27Å; K229-D239 VanDerWaalsContact NZ-OD2 3.15Å; D239-I241 VanDerWaalsContact C-N 3.31Å; D239-I241 PolarHBondContact O-N 3.47Å; D239-K242 PolarHBondContact O-N 3.02Å; D239-K242 IonicContact OD1-NZ 3.14Å; D239-K243 WeakPolarHBondContact O-CB 3.27Å; D239-K243 VanDerWaalsContact O-CG 3.31Å; D239-K243 WeakPolarHBondContact O-CG 3.44Å; D239-K243 PolarHBondContact O-N 3.21Å
240K82.7Confident85.5Confident108 Ų10837.9 Ų37.947%0.4719%0.191SC..Hα-helixtrans-54.9-46.5172-174.6175.7-178.51750111.3D90 S238 K243 Q244D90-K240 IonicContact OD2-NZ 2.67Å; D90-K240 PolarHBondContact OD2-NZ 2.79Å; S238-K240 VanDerWaalsContact C-N 3.26Å; S238-K240 PolarHBondContact O-N 3.05Å; K240-K243 PolarHBondContact O-N 3.19Å; K240-Q244 WeakPolarHBondContact O-CG 3.44Å; K240-Q244 PolarHBondContact O-N 2.97Å; K240-Q244 VanDerWaalsContact O-N 3.12Å
241I84.1Confident85.7Confident13 Ų1335.5 Ų35.57%0.06718%0.176CC..Hα-helixtrans-75.2-40.1-178.4-64.2173.4000111.2L237 S238 D239 K243 Q244 I245 Y359 Q375L237-I241 HydrophobicContact CB-CB 4.49Å; L237-I241 HydrophobicContact CB-CG2 4.37Å; L237-I241 HydrophobicContact CD1-CG2 3.97Å; S238-I241 PolarHBondContact O-N 2.96Å; S238-I241 VanDerWaalsContact O-N 3.09Å; S238-I241 WeakPolarHBondContact OG-CG1 3.3Å; D239-I241 VanDerWaalsContact C-N 3.31Å; D239-I241 PolarHBondContact O-N 3.47Å; I241-K243 VanDerWaalsContact C-N 3.26Å; I241-K243 PolarHBondContact O-N 3.26Å; I241-Q244 WeakPolarHBondContact O-CB 3.46Å; I241-Q244 PolarHBondContact O-N 3.03Å; I241-Q244 VanDerWaalsContact O-N 3.08Å; I241-I245 HydrophobicContact CG2-CD1 3.99Å; I241-I245 HydrophobicContact CG2-CG1 4.34Å; I241-I245 WeakPolarHBondContact O-CG1 3.47Å; I241-I245 PolarHBondContact O-N 3.48Å; I241-Y359 HydrophobicContact CG2-CD1 4.24Å; I241-Y359 HydrophobicContact CG2-CE1 4.48Å; I241-Q375 VanDerWaalsContact CD1-CD 3.47Å
242K88.2Confident85.9Confident22 Ų2237.2 Ų37.210%0.09618%0.184CC..Hα-helixtrans-58.4-39.5173.8-71.6166.6172153.40111.7V228 K229 F234 Q235 L237 S238 D239 I245 A246V228-K242 HydrophobicContact CG1-CB 4.03Å; V228-K242 HydrophobicContact CG1-CG 4.16Å; K229-K242 HydrophobicContact CG-CD 4.04Å; F234-K242 WeakPolarHBondContact O-CE 3.23Å; Q235-K242 VanDerWaalsContact O-CE 3.25Å; Q235-K242 WeakPolarHBondContact O-CE 3.45Å; Q235-K242 PolarHBondContact O-NZ 2.73Å; L237-K242 HydrophobicContact CB-CG 4.18Å; L237-K242 WeakPolarHBondContact O-CD 3.39Å; L237-K242 WeakPolarHBondContact O-CE 3.34Å; L237-K242 PolarHBondContact O-NZ 3.44Å; S238-K242 WeakPolarHBondContact O-CG 3.23Å; S238-K242 PolarHBondContact O-N 3.44Å; D239-K242 PolarHBondContact O-N 3.02Å; D239-K242 IonicContact OD1-NZ 3.14Å; K242-I245 PolarHBondContact O-N 3.43Å; K242-A246 WeakPolarHBondContact O-CB 3.08Å; K242-A246 PolarHBondContact O-N 2.88Å
243K87.2Confident86.5Confident68 Ų6837.7 Ų37.730%0.29619%0.188SC..Hα-helixtrans-61.7-46.3172.1-72.6-174.8-173.5-163.50111.1E145 I225 D239 K240 I241 I245 A246 M247E145-K243 IonicContact OE1-NZ 3.55Å; E145-K243 PolarHBondContact OE1-NZ 3.45Å; E145-K243 IonicContact OE2-NZ 2.72Å; E145-K243 PolarHBondContact OE2-NZ 3.44Å; I225-K243 HydrophobicContact CD1-CG 3.9Å; I225-K243 HydrophobicContact CG1-CG 4.37Å; D239-K243 WeakPolarHBondContact O-CB 3.27Å; D239-K243 VanDerWaalsContact O-CG 3.31Å; D239-K243 WeakPolarHBondContact O-CG 3.44Å; D239-K243 PolarHBondContact O-N 3.21Å; K240-K243 PolarHBondContact O-N 3.19Å; I241-K243 VanDerWaalsContact C-N 3.26Å; I241-K243 PolarHBondContact O-N 3.26Å; K243-I245 PolarHBondContact O-N 2.89Å; K243-A246 WeakPolarHBondContact O-CB 3.43Å; K243-A246 PolarHBondContact O-N 2.95Å; K243-M247 WeakPolarHBondContact O-CG 3.48Å; K243-M247 PolarHBondContact O-N 3.01Å
244Q85.8Confident86.9Confident36 Ų3638.9 Ų38.917%0.16819%0.193CC..Hα-helixtrans-61.2-41176.3-70.6179.5-7.600113Y87 K240 I241 M247 S248 Y359Y87-Q244 PolarHBondContact OH-NE2 2.81Å; K240-Q244 WeakPolarHBondContact O-CG 3.44Å; K240-Q244 PolarHBondContact O-N 2.97Å; K240-Q244 VanDerWaalsContact O-N 3.12Å; I241-Q244 WeakPolarHBondContact O-CB 3.46Å; I241-Q244 PolarHBondContact O-N 3.03Å; I241-Q244 VanDerWaalsContact O-N 3.08Å; Q244-M247 PolarHBondContact O-N 2.87Å; Q244-S248 PolarHBondContact O-N 3.44Å; Q244-Y359 HydrophobicContact CB-CE1 4.15Å; Q244-Y359 WeakPolarHBondContact CB-OH 3.17Å; Q244-Y359 PolarHBondContact O-OH 2.94Å
245I89.5Confident87.2Confident0 Ų043.7 Ų43.70%022%0.215CC..Hα-helixtrans-59.9-51.2172.7-67.5167.1000109.2V228 F234 L237 I241 K242 K243 M247 S248 L249 M351 Y359V228-I245 HydrophobicContact CG1-CB 4.05Å; V228-I245 HydrophobicContact CG1-CG2 3.82Å; V228-I245 HydrophobicContact CG2-CB 4.46Å; V228-I245 HydrophobicContact CG2-CG2 3.78Å; F234-I245 HydrophobicContact CB-CD1 4.46Å; F234-I245 HydrophobicContact CD1-CD1 3.83Å; F234-I245 HydrophobicContact CD2-CD1 4.25Å; F234-I245 HydrophobicContact CD2-CG2 4.2Å; F234-I245 HydrophobicContact CE1-CD1 4.05Å; F234-I245 HydrophobicContact CE2-CD1 4.46Å; F234-I245 HydrophobicContact CE2-CG2 4Å; F234-I245 HydrophobicContact CG-CD1 3.94Å; F234-I245 HydrophobicContact CZ-CD1 4.37Å; L237-I245 HydrophobicContact CD1-CD1 3.56Å; I241-I245 HydrophobicContact CG2-CD1 3.99Å; I241-I245 HydrophobicContact CG2-CG1 4.34Å; I241-I245 WeakPolarHBondContact O-CG1 3.47Å; I241-I245 PolarHBondContact O-N 3.48Å; K242-I245 PolarHBondContact O-N 3.43Å; K243-I245 PolarHBondContact O-N 2.89Å; I245-M247 PolarHBondContact O-N 2.96Å; I245-S248 WeakPolarHBondContact O-CB 3.15Å; I245-S248 PolarHBondContact O-N 3.2Å; I245-S248 PolarHBondContact O-OG 3.21Å; I245-L249 WeakPolarHBondContact O-CG 3.5Å; I245-L249 PolarHBondContact O-N 3.21Å; I245-M351 HydrophobicContact CG2-CE 3.8Å; I245-Y359 HydrophobicContact CB-CD2 4.5Å; I245-Y359 HydrophobicContact CD1-CD1 4.23Å; I245-Y359 HydrophobicContact CD1-CG 4.14Å; I245-Y359 HydrophobicContact CG1-CD1 3.6Å; I245-Y359 HydrophobicContact CG1-CD2 3.69Å; I245-Y359 HydrophobicContact CG1-CE1 3.92Å; I245-Y359 HydrophobicContact CG1-CE2 3.99Å; I245-Y359 HydrophobicContact CG1-CG 3.49Å; I245-Y359 VanDerWaalsContact CG1-CG 3.49Å
246A90.1Very high87.7Confident0 Ų046.1 Ų46.10%022%0.222CC..Hα-helixtrans-56.4-39178.900000112.3R224 I225 V228 K242 K243 S248 L249R224-A246 HydrophobicContact CB-CB 4.01Å; R224-A246 PolarHBondContact NH1-O 3.47Å; I225-A246 HydrophobicContact CG1-CB 3.77Å; V228-A246 HydrophobicContact CG2-CB 3.99Å; K242-A246 WeakPolarHBondContact O-CB 3.08Å; K242-A246 PolarHBondContact O-N 2.88Å; K243-A246 WeakPolarHBondContact O-CB 3.43Å; K243-A246 PolarHBondContact O-N 2.95Å; A246-S248 VanDerWaalsContact C-N 3.31Å; A246-S248 PolarHBondContact O-N 2.85Å; A246-L249 PolarHBondContact O-N 3.02Å
247M86.6Confident88.5Confident51 Ų5148.2 Ų48.225%0.25123%0.234SC..Hα-helixtrans-72.9-24.1177.9-66.8-50.696.800113.3V141 F221 K243 Q244 I245 L249V141-M247 HydrophobicContact CG2-CG 4.04Å; V141-M247 HydrophobicContact CG2-SD 3.64Å; F221-M247 HydrophobicContact CD2-CE 3.14Å; F221-M247 HydrophobicContact CD2-SD 3.56Å; F221-M247 VanDerWaalsContact CD2-SD 3.56Å; F221-M247 HydrophobicContact CE2-CE 3.26Å; F221-M247 HydrophobicContact CE2-CG 4.4Å; F221-M247 HydrophobicContact CE2-SD 3.48Å; F221-M247 WeakPolarHBondContact CE2-SD 3.47Å; F221-M247 HydrophobicContact CG-CE 4.15Å; F221-M247 HydrophobicContact CZ-CE 4.36Å; K243-M247 WeakPolarHBondContact O-CG 3.48Å; K243-M247 PolarHBondContact O-N 3.01Å; Q244-M247 PolarHBondContact O-N 2.87Å; I245-M247 PolarHBondContact O-N 2.96Å; M247-L249 VanDerWaalsContact C-N 3.32Å
248S86.9Confident89Confident16 Ų1651.9 Ų51.911%0.11225%0.251CS..Hα-helixtrans-80.3-11.2174.375.60000114.5Q244 I245 A246 N355 Y359Q244-S248 PolarHBondContact O-N 3.44Å; I245-S248 WeakPolarHBondContact O-CB 3.15Å; I245-S248 PolarHBondContact O-N 3.2Å; I245-S248 PolarHBondContact O-OG 3.21Å; A246-S248 VanDerWaalsContact C-N 3.31Å; A246-S248 PolarHBondContact O-N 2.85Å; S248-N355 WeakPolarHBondContact CB-ND2 3.25Å; S248-Y359 WeakPolarHBondContact OG-CE2 3.48Å
249L90.3Very high89.4Confident5 Ų553.2 Ų53.23%0.02625%0.253CS..PPolyproline II helixtrans-85.6129-179.7-66.9-178.3000111.4Y227 V228 I245 A246 M247 F272 Y349 Y350 M351Y227-L249 HydrophobicContact CD1-CD1 4.37Å; V228-L249 HydrophobicContact CG2-CD1 3.64Å; I245-L249 WeakPolarHBondContact O-CG 3.5Å; I245-L249 PolarHBondContact O-N 3.21Å; A246-L249 PolarHBondContact O-N 3.02Å; M247-L249 VanDerWaalsContact C-N 3.32Å; L249-F272 HydrophobicContact CD2-CD2 4.18Å; L249-F272 HydrophobicContact CD2-CE2 4.27Å; L249-Y349 HydrophobicContact CB-CD1 3.92Å; L249-Y349 HydrophobicContact CB-CG 4.23Å; L249-Y349 HydrophobicContact CD1-CD1 4.44Å; L249-Y349 HydrophobicContact CD1-CD2 4.46Å; L249-Y349 HydrophobicContact CD1-CG 4.07Å; L249-Y350 WeakPolarHBondContact CA-O 3.44Å; L249-M351 HydrophobicContact CD2-CB 3.83Å; L249-M351 HydrophobicContact CD2-CE 3.65Å; L249-M351 HydrophobicContact CD2-CG 4.42Å
250I87.9Confident89.8Confident67 Ų6750.2 Ų50.234%0.34424%0.237SC..EExtended strand (participates in β ladder)trans-102.6117.4175.2-58.3179.4000108.9Q252 Y349 Y350I250-Q252 HydrophobicContact CG2-CG 4.49Å; I250-Y349 CarbonylContact O-C 3.51Å; I250-Y349 WeakPolarHBondContact O-CA 3.22Å; I250-Y350 HydrophobicContact CB-CD1 4.36Å; I250-Y350 HydrophobicContact CD1-CD1 4.17Å; I250-Y350 PolarHBondContact N-O 2.9Å; I250-Y350 PolarHBondContact O-N 3.33Å
251K88.3Confident90.3Very high37 Ų3745.5 Ų45.516%0.16122%0.217CC..EExtended strand (participates in β ladder)trans-73.3131.9177.2-165176.2-179175.60110.6M37 E223 I347 Y349M37-K251 HydrophobicContact CE-CB 4.34Å; M37-K251 HydrophobicContact CE-CD 4.25Å; M37-K251 HydrophobicContact CE-CG 3.91Å; M37-K251 HydrophobicContact CG-CB 4.39Å; E223-K251 IonicContact OE2-NZ 2.76Å; E223-K251 PolarHBondContact OE2-NZ 3.38Å; K251-I347 HydrophobicContact CD-CG2 4.48Å; K251-I347 HydrophobicContact CG-CG2 4.02Å; K251-Y349 HydrophobicContact CB-CD1 4.01Å; K251-Y349 HydrophobicContact CB-CE1 3.67Å; K251-Y349 HydrophobicContact CD-CE1 4.22Å; K251-Y349 HydrophobicContact CG-CD1 4.35Å; K251-Y349 HydrophobicContact CG-CE1 3.8Å
252Q89.9Confident90.8Very high52 Ų5250.6 Ų50.624%0.24324%0.239CC..EExtended strand (participates in β ladder)trans-131.3138.7176.3-65177.7-21.300109.4I250 Y254 I348I250-Q252 HydrophobicContact CG2-CG 4.49Å; Q252-Y254 HydrophobicContact CB-CD2 4.41Å; Q252-Y254 HydrophobicContact CB-CE2 3.64Å; Q252-Y254 PolarHBondContact OE1-OH 3.48Å; Q252-I348 PolarHBondContact N-O 3.09Å; Q252-I348 PolarHBondContact O-N 3.04Å
253T90.3Very high90.8Very high42 Ų4251.3 Ų51.326%0.25824%0.242SC..EExtended strand (participates in β ladder)trans-115.1136.5174.651.50000109.8M37 T346 I347M37-T253 HydrophobicContact CE-CG2 3.38Å; T253-T346 CarbonylContact C-O 3.57Å; T253-T346 WeakPolarHBondContact CA-O 3.26Å; T253-I347 HydrophobicContact CG2-CG1 4.21Å
254Y92.1Very high90.7Very high33 Ų3352.5 Ų52.513%0.12925%0.252CS..EExtended strand (participates in β ladder)trans-126.5134178.7-64.4-91.1000110.3Q252 Q258 I260 T346 I348Q252-Y254 HydrophobicContact CB-CD2 4.41Å; Q252-Y254 HydrophobicContact CB-CE2 3.64Å; Q252-Y254 PolarHBondContact OE1-OH 3.48Å; Y254-Q258 VanDerWaalsContact CA-OE1 3.32Å; Y254-Q258 HydrophobicContact CD1-CB 4.17Å; Y254-I260 HydrophobicContact CD1-CG1 3.7Å; Y254-I260 HydrophobicContact CD2-CD1 4.43Å; Y254-I260 HydrophobicContact CD2-CG1 3.82Å; Y254-I260 HydrophobicContact CE1-CB 4.21Å; Y254-I260 HydrophobicContact CE1-CG1 3.74Å; Y254-I260 HydrophobicContact CE1-CG2 4.48Å; Y254-I260 HydrophobicContact CE2-CG1 3.87Å; Y254-I260 HydrophobicContact CE2-CG2 4.17Å; Y254-I260 HydrophobicContact CG-CD1 4.47Å; Y254-I260 HydrophobicContact CG-CG1 3.73Å; Y254-T346 PolarHBondContact N-O 3.41Å; Y254-T346 PolarHBondContact O-N 3.46Å; Y254-I348 HydrophobicContact CD2-CD1 4.12Å; Y254-I348 HydrophobicContact CE2-CD1 4.15Å
255E93.5Very high91Very high101 Ų10152.9 Ų52.947%0.47226%0.258SS..  trans-76.3170.6170.5-60.5-61.4136.900110.4Q258 S341 S344E255-Q258 HydrophobicContact CB-CG 4.16Å; E255-Q258 WeakPolarHBondContact O-CG 3.44Å; E255-Q258 PolarHBondContact O-N 3.09Å; E255-S341 WeakPolarHBondContact O-CB 3.28Å; E255-S341 PolarHBondContact O-OG 3.48Å; E255-S344 WeakPolarHBondContact CA-O 3.5Å; E255-S344 VanDerWaalsContact OE2-O 3.13Å
256Y95Very high91.2Very high137 Ų13759.1 Ų59.154%0.53729%0.291SS..THydrogen-bonded Turntrans-55.4138.8178.6178.9-107.2000112.9Q258 N342 T343Y256-Q258 PolarHBondContact O-N 3.04Å; Y256-N342 WeakPolarHBondContact CD2-O 3.49Å; Y256-N342 VanDerWaalsContact CE2-O 3.29Å; Y256-N342 WeakPolarHBondContact CE2-O 3.44Å; Y256-T343 PolarHBondContact N-O 3.41Å
257N94.3Very high91.2Very high84 Ų8460 Ų6045%0.44929%0.294SS..THydrogen-bonded Turntrans60.423.2174.5-162.350.2000114.6R279 S341N257-R279 PolarHBondContact OD1-NH2 2.77Å; N257-S341 VanDerWaalsContact CA-O 3.27Å; N257-S341 WeakPolarHBondContact CA-O 3.32Å; N257-S341 PolarHBondContact N-O 2.83Å; N257-S341 PolarHBondContact N-OG 2.82Å
258Q95.1Very high91.4Very high84 Ų8460.9 Ų60.939%0.39330%0.3SS..  trans-84136.7171.9-70.2-172.8-20.300110.8Y254 E255 Y256 I260 I340 S341Y254-Q258 VanDerWaalsContact CA-OE1 3.32Å; Y254-Q258 HydrophobicContact CD1-CB 4.17Å; E255-Q258 HydrophobicContact CB-CG 4.16Å; E255-Q258 WeakPolarHBondContact O-CG 3.44Å; E255-Q258 PolarHBondContact O-N 3.09Å; Y256-Q258 PolarHBondContact O-N 3.04Å; Q258-I260 PolarHBondContact O-N 3.48Å; Q258-I340 WeakPolarHBondContact O-CA 3.47Å; Q258-S341 PolarHBondContact N-OG 3.33Å; Q258-S341 PolarHBondContact O-N 3.27Å; Q258-S341 PolarHBondContact O-OG 2.86Å; Q258-S341 VanDerWaalsContact O-OG 3.13Å
259I94.6Very high91.7Very high82 Ų8260.1 Ų60.142%0.42130%0.295SS..EExtended strand (participates in β ladder)trans-76.8116.9175.1-59.6171000108.4L261 K262 T338 I340I259-L261 WeakPolarHBondContact CG2-O 3.42Å; I259-K262 HydrophobicContact CG2-CD 4.5Å; I259-K262 HydrophobicContact CG2-CG 3.59Å; I259-T338 HydrophobicContact CG2-CG2 4.41Å; I259-I340 HydrophobicContact CG1-CG1 4.08Å
260I93.5Very high91.9Very high16 Ų1659.9 Ų59.98%0.08229%0.293CS..EExtended strand (participates in β ladder)trans-79.4-47.3176.7-67.9151.9000109.9Y254 Q258 Y271 L278 I339 I348Y254-I260 HydrophobicContact CD1-CG1 3.7Å; Y254-I260 HydrophobicContact CD2-CD1 4.43Å; Y254-I260 HydrophobicContact CD2-CG1 3.82Å; Y254-I260 HydrophobicContact CE1-CB 4.21Å; Y254-I260 HydrophobicContact CE1-CG1 3.74Å; Y254-I260 HydrophobicContact CE1-CG2 4.48Å; Y254-I260 HydrophobicContact CE2-CG1 3.87Å; Y254-I260 HydrophobicContact CE2-CG2 4.17Å; Y254-I260 HydrophobicContact CG-CD1 4.47Å; Y254-I260 HydrophobicContact CG-CG1 3.73Å; Q258-I260 PolarHBondContact O-N 3.48Å; I260-Y271 HydrophobicContact CG2-CD1 4.32Å; I260-Y271 HydrophobicContact CG2-CE1 4.33Å; I260-L278 HydrophobicContact CD1-CD1 4.17Å; I260-L278 HydrophobicContact CD1-CD2 3.29Å; I260-L278 HydrophobicContact CD1-CG 4.37Å; I260-I339 HydrophobicContact CB-CB 4.41Å; I260-I339 HydrophobicContact CB-CG2 4.21Å; I260-I339 HydrophobicContact CD1-CG2 3.9Å; I260-I339 PolarHBondContact N-O 3.44Å; I260-I348 HydrophobicContact CD1-CD1 3.43Å; I260-I348 VanDerWaalsContact CD1-CD1 3.43Å; I260-I348 HydrophobicContact CG1-CD1 4.02Å; I260-I348 HydrophobicContact CG2-CD1 4.06Å
261L94Very high92.1Very high10 Ų1057.5 Ų57.55%0.05228%0.28CS..EExtended strand (participates in β ladder)trans-151.2158.3172.462.780.9000110.6I259 Y271 I323 Y335 F337 I339I259-L261 WeakPolarHBondContact CG2-O 3.42Å; L261-Y271 HydrophobicContact CD2-CD2 3.74Å; L261-Y271 HydrophobicContact CD2-CE2 3.43Å; L261-Y271 VanDerWaalsContact CD2-CE2 3.43Å; L261-I323 HydrophobicContact CD2-CG2 3.86Å; L261-Y335 HydrophobicContact CD1-CD1 4.1Å; L261-Y335 HydrophobicContact CD1-CD2 4.27Å; L261-Y335 HydrophobicContact CD1-CG 3.79Å; L261-Y335 HydrophobicContact CD2-CD1 3.81Å; L261-Y335 HydrophobicContact CD2-CD2 4.26Å; L261-Y335 HydrophobicContact CD2-CE1 3.76Å; L261-Y335 HydrophobicContact CD2-CE2 4.19Å; L261-Y335 HydrophobicContact CD2-CG 4.07Å; L261-Y335 HydrophobicContact CG-CG 4.46Å; L261-F337 WeakPolarHBondContact CD1-O 3.46Å; L261-I339 HydrophobicContact CD1-CB 4.15Å; L261-I339 HydrophobicContact CD1-CG1 3.6Å; L261-I339 HydrophobicContact CD2-CG1 4.44Å; L261-I339 HydrophobicContact CG-CB 4.02Å; L261-I339 HydrophobicContact CG-CG1 3.87Å; L261-I339 PolarHBondContact N-O 2.91Å; L261-I339 PolarHBondContact O-N 3.2Å
262K94Very high92.3Very high120 Ų12055.9 Ų55.952%0.52227%0.273SS..  trans-110.2143.2-177-70.3-175.8176.5-179.90110.4I259 N264 S265I259-K262 HydrophobicContact CG2-CD 4.5Å; I259-K262 HydrophobicContact CG2-CG 3.59Å; K262-N264 PolarHBondContact O-N 3.22Å; K262-S265 WeakPolarHBondContact O-CB 3.37Å; K262-S265 PolarHBondContact O-N 2.79Å; K262-S265 VanDerWaalsContact O-N 3.08Å; K262-S265 PolarHBondContact O-OG 2.82Å
263Q87.1Confident92.1Very high37 Ų3753.4 Ų53.417%0.17326%0.261CS..THydrogen-bonded Turntrans-52.7142.1167.8-177.9-179.7-23.600110.3S265 H283 L336 F337 T338Q263-S265 PolarHBondContact O-N 3.29Å; Q263-H283 PolarHBondContact NE2-O 3.5Å; Q263-H283 PolarHBondContact OE1-O 3.2Å; Q263-L336 WeakPolarHBondContact CG-O 3.4Å; Q263-F337 PolarHBondContact N-O 2.88Å; Q263-T338 WeakPolarHBondContact CB-OG1 3.45Å; Q263-T338 PolarHBondContact N-OG1 2.98Å
264N85.8Confident91.9Very high92 Ų9253.8 Ų53.849%0.49226%0.26SS..THydrogen-bonded Turntrans670.6-177-55-50.7000115.6K262 K334 Y335K262-N264 PolarHBondContact O-N 3.22Å; N264-K334 HydrophobicContact CB-CD 4.42Å; N264-K334 WeakPolarHBondContact O-CD 3.49Å; N264-Y335 PolarHBondContact N-O 3.18Å
265S92.6Very high91.6Very high44 Ų4459.1 Ų59.131%0.30828%0.28SS..SBendtrans-69.5155.4168.474.10000110.3K262 Q263 F267 K334 Y335K262-S265 WeakPolarHBondContact O-CB 3.37Å; K262-S265 PolarHBondContact O-N 2.79Å; K262-S265 VanDerWaalsContact O-N 3.08Å; K262-S265 PolarHBondContact O-OG 2.82Å; Q263-S265 PolarHBondContact O-N 3.29Å; S265-F267 PolarHBondContact O-N 2.8Å; S265-K334 CarbonylContact O-C 3.59Å; S265-K334 WeakPolarHBondContact O-CA 3.17Å; S265-Y335 PolarHBondContact O-N 2.78Å; S265-Y335 WeakPolarHBondContact OG-CD2 3.45Å
266I93Very high91.1Very high132 Ų13255.1 Ų55.168%0.67727%0.266SS*.BIsolated β-bridgetrans-59.1128.7-175.9-61170.1000109.8N268 Y335I266-N268 PolarHBondContact O-N 3.18Å; I266-Y335 WeakPolarHBondContact O-CE2 3.5Å
267F90.1Very high90.6Very high19 Ų1952.1 Ų52.18%0.08326%0.257CS..PPolyproline II helixtrans-68.3124.4172.5174.4-102.3000109.6S265 G269 G324 E327 F328 P333 Y335 I353S265-F267 PolarHBondContact O-N 2.8Å; F267-G269 WeakPolarHBondContact CE2-O 3.28Å; F267-G324 VanDerWaalsContact CE2-O 3.29Å; F267-G324 WeakPolarHBondContact CE2-O 3.12Å; F267-E327 HydrophobicContact CB-CB 4.44Å; F267-E327 HydrophobicContact CD2-CB 3.36Å; F267-E327 HydrophobicContact CD2-CG 4.1Å; F267-E327 HydrophobicContact CE2-CB 3.68Å; F267-E327 HydrophobicContact CG-CB 3.86Å; F267-E327 HydrophobicContact CZ-CB 4.41Å; F267-F328 HydrophobicContact CE1-CB 4.37Å; F267-F328 HydrophobicContact CE1-CD2 4.39Å; F267-F328 HydrophobicContact CE2-CB 4.38Å; F267-F328 HydrophobicContact CZ-CB 3.69Å; F267-F328 HydrophobicContact CZ-CD2 4.14Å; F267-F328 HydrophobicContact CZ-CG 4.44Å; F267-P333 WeakPolarHBondContact CB-O 3.49Å; F267-P333 PolarHBondContact N-O 3.16Å; F267-Y335 HydrophobicContact CD2-CD1 4Å; F267-Y335 AromaticContact CD2-CE1 3.45Å; F267-Y335 HydrophobicContact CD2-CE1 3.45Å; F267-Y335 VanDerWaalsContact CD2-CE1 3.45Å; F267-Y335 AromaticContact CD2-CZ 3.75Å; F267-Y335 AromaticContact CE2-CE1 3.92Å; F267-Y335 HydrophobicContact CE2-CE1 3.92Å; F267-I353 HydrophobicContact CD1-CD1 3.92Å; F267-I353 HydrophobicContact CE1-CB 4.41Å; F267-I353 HydrophobicContact CE1-CD1 3.56Å; F267-I353 HydrophobicContact CE1-CG1 3.88Å
268N91.2Very high90.2Very high68 Ų6848.1 Ų48.136%0.36424%0.236SC..  trans-133.9-3.8-176.366.3-0.6000113.9I266 Y335 Y350 I353I266-N268 PolarHBondContact O-N 3.18Å; N268-Y335 PolarHBondContact N-OH 2.96Å; N268-Y335 PolarHBondContact OD1-OH 3.28Å; N268-Y350 PolarHBondContact O-OH 3.49Å; N268-I353 PolarHBondContact O-N 2.89Å
269G93.3Very high89.8Confident0 Ų046.9 Ų46.90%023%0.227CC..EExtended strand (participates in β ladder)trans165.3-168.8-179.500000114.4F267 Y335 M351F267-G269 WeakPolarHBondContact CE2-O 3.28Å; G269-Y335 PolarHBondContact N-OH 2.99Å; G269-Y335 VanDerWaalsContact N-OH 3.14Å; G269-Y335 PolarHBondContact O-OH 3.28Å; G269-M351 CarbonylContact C-O 3.44Å; G269-M351 WeakPolarHBondContact CA-O 3.42Å
270L94.3Very high89.3Confident0 Ų043.1 Ų43.10%021%0.208CC..EExtended strand (participates in β ladder)trans-109.8146.5-178.1-63.1-179.5000110.3F272 I323 G324 F328 Y350 M351 A356 I360 F386L270-F272 HydrophobicContact CB-CD2 4.43Å; L270-F272 HydrophobicContact CB-CE2 3.67Å; L270-F272 HydrophobicContact CB-CZ 4.12Å; L270-F272 HydrophobicContact CD1-CE2 4.46Å; L270-F272 HydrophobicContact CD1-CZ 4.12Å; L270-I323 WeakPolarHBondContact CA-O 3.42Å; L270-G324 VanDerWaalsContact CD2-O 3.25Å; L270-G324 WeakPolarHBondContact CD2-O 3.34Å; L270-F328 HydrophobicContact CD2-CB 3.77Å; L270-F328 HydrophobicContact CD2-CG 4.21Å; L270-Y350 CarbonylContact O-C 3.46Å; L270-Y350 WeakPolarHBondContact O-CA 3.34Å; L270-M351 HydrophobicContact CB-CB 4.45Å; L270-M351 PolarHBondContact N-O 2.87Å; L270-M351 PolarHBondContact O-N 2.8Å; L270-A356 HydrophobicContact CD1-CB 3.65Å; L270-A356 HydrophobicContact CG-CB 3.98Å; L270-I360 HydrophobicContact CD1-CD1 3.4Å; L270-F386 HydrophobicContact CD1-CZ 4.33Å
271Y93.3Very high88.8Confident18 Ų1842.9 Ų42.97%0.07121%0.206CC..EExtended strand (participates in β ladder)trans-123121.9176-61.8-100.8000110I260 L261 C322 I323 Y335 I348 Y349 Y350I260-Y271 HydrophobicContact CG2-CD1 4.32Å; I260-Y271 HydrophobicContact CG2-CE1 4.33Å; L261-Y271 HydrophobicContact CD2-CD2 3.74Å; L261-Y271 HydrophobicContact CD2-CE2 3.43Å; L261-Y271 VanDerWaalsContact CD2-CE2 3.43Å; Y271-C322 CarbonylContact O-C 3.6Å; Y271-C322 VanDerWaalsContact O-CA 3.28Å; Y271-C322 WeakPolarHBondContact O-CA 3.29Å; Y271-I323 PolarHBondContact N-O 3.47Å; Y271-I323 PolarHBondContact O-N 3.03Å; Y271-Y335 HydrophobicContact CE2-CE1 4.22Å; Y271-Y335 AromaticContact CE2-CZ 3.85Å; Y271-Y335 WeakPolarHBondContact CE2-OH 3.49Å; Y271-I348 HydrophobicContact CD1-CG2 3.83Å; Y271-I348 HydrophobicContact CG-CG2 4.26Å; Y271-Y349 CarbonylContact C-O 3.58Å; Y271-Y349 WeakPolarHBondContact CA-O 3.38Å; Y271-Y350 AromaticContact CD1-CD2 3.97Å; Y271-Y350 HydrophobicContact CD1-CD2 3.97Å; Y271-Y350 HydrophobicContact CD1-CG 4.49Å; Y271-Y350 HydrophobicContact CD2-CD2 4.31Å; Y271-Y350 AromaticContact CE1-CD2 3.59Å; Y271-Y350 HydrophobicContact CE1-CD2 3.59Å; Y271-Y350 HydrophobicContact CE1-CE2 4.43Å; Y271-Y350 HydrophobicContact CE1-CG 4.18Å; Y271-Y350 AromaticContact CE2-CD2 3.94Å; Y271-Y350 HydrophobicContact CE2-CD2 3.94Å; Y271-Y350 HydrophobicContact CE2-CE2 4.21Å; Y271-Y350 HydrophobicContact CG-CD2 4.32Å; Y271-Y350 AromaticContact CZ-CD2 3.57Å; Y271-Y350 AromaticContact CZ-CE2 3.98Å
272F90.8Very high88.2Confident2 Ų243.2 Ų43.21%0.00921%0.208CC..EExtended strand (participates in β ladder)trans-107.1120.8-177.6-57.9-103.9000109.3Y227 I231 Y233 F234 L249 L270 Q274 C322 I348 Y349 M351Y227-F272 HydrophobicContact CE1-CB 3.89Å; Y227-F272 WeakPolarHBondContact OH-CB 3.48Å; I231-F272 HydrophobicContact CD1-CD1 3.85Å; I231-F272 HydrophobicContact CD1-CE1 4.15Å; Y233-F272 HydrophobicContact CE2-CE1 4.11Å; Y233-F272 WeakPolarHBondContact OH-CE1 3.14Å; F234-F272 HydrophobicContact CE2-CE1 4.21Å; F234-F272 HydrophobicContact CE2-CZ 4.41Å; L249-F272 HydrophobicContact CD2-CD2 4.18Å; L249-F272 HydrophobicContact CD2-CE2 4.27Å; L270-F272 HydrophobicContact CB-CD2 4.43Å; L270-F272 HydrophobicContact CB-CE2 3.67Å; L270-F272 HydrophobicContact CB-CZ 4.12Å; L270-F272 HydrophobicContact CD1-CE2 4.46Å; L270-F272 HydrophobicContact CD1-CZ 4.12Å; F272-Q274 PolarHBondContact O-N 3.33Å; F272-C322 HydrophobicContact CD1-CB 4.43Å; F272-C322 HydrophobicContact CE1-CB 4.5Å; F272-I348 CarbonylContact O-C 3.48Å; F272-I348 WeakPolarHBondContact O-CA 3.24Å; F272-Y349 PolarHBondContact N-O 2.96Å; F272-Y349 PolarHBondContact O-N 3.25Å; F272-M351 HydrophobicContact CD2-CB 4.47Å; F272-M351 HydrophobicContact CE2-CB 3.73Å; F272-M351 HydrophobicContact CE2-CE 3.9Å; F272-M351 HydrophobicContact CE2-SD 4.33Å; F272-M351 HydrophobicContact CZ-CE 3.92Å; F272-M351 HydrophobicContact CZ-SD 4.4Å
273I87.5Confident87.5Confident0 Ų040.8 Ų40.80%020%0.199CC..EExtended strand (participates in β ladder)trans-78.4119.3-176.9-49.8163.7000109Y227 L278 I307 G309 L321 I323Y227-I273 PolarHBondContact OH-O 3.4Å; I273-L278 HydrophobicContact CD1-CD1 3.53Å; I273-L278 HydrophobicContact CD1-CG 4.03Å; I273-L278 HydrophobicContact CG1-CD1 3.62Å; I273-L278 HydrophobicContact CG1-CG 4.37Å; I273-I307 HydrophobicContact CD1-CB 4.03Å; I273-I307 HydrophobicContact CD1-CG2 3.37Å; I273-G309 VanDerWaalsContact CG2-CA 3.41Å; I273-L321 HydrophobicContact CB-CB 4.42Å; I273-L321 WeakPolarHBondContact CG1-O 3.34Å; I273-L321 PolarHBondContact N-O 3.32Å; I273-I323 HydrophobicContact CD1-CD1 4.5Å
274Q85.2Confident86.8Confident50 Ų5040.3 Ų40.323%0.23420%0.198CC..EExtended strand (participates in β ladder)trans-90.1-43.2173.5-178.3-172.7-4.200111.3Y227 F272 I347 Y349Y227-Q274 HydrophobicContact CD2-CB 4.26Å; Y227-Q274 HydrophobicContact CD2-CG 3.95Å; Y227-Q274 HydrophobicContact CE2-CB 3.95Å; Y227-Q274 HydrophobicContact CE2-CG 4.1Å; F272-Q274 PolarHBondContact O-N 3.33Å; Q274-I347 HydrophobicContact CB-CB 4.24Å; Q274-I347 HydrophobicContact CB-CG2 4.13Å; Q274-I347 WeakPolarHBondContact CB-O 3.44Å; Q274-I347 PolarHBondContact N-O 3.4Å; Q274-Y349 HydrophobicContact CB-CD2 4.04Å; Q274-Y349 HydrophobicContact CB-CE2 3.91Å; Q274-Y349 HydrophobicContact CG-CE2 3.98Å; Q274-Y349 PolarHBondContact OE1-OH 2.99Å; Q274-Y349 VanDerWaalsContact OE1-OH 3.08Å
275R85Confident86Confident146 Ų14642.7 Ų42.755%0.55120%0.204SC*.EExtended strand (participates in β ladder)trans-150.9144.9-176.7178.6-178172.4-179.6-0.7109.9T346 I347R275-T346 CarbonylContact O-C 3.46Å; R275-T346 WeakPolarHBondContact O-CA 3.3Å; R275-I347 HydrophobicContact CB-CB 4.07Å; R275-I347 HydrophobicContact CB-CD1 4.26Å; R275-I347 HydrophobicContact CB-CG1 4.14Å; R275-I347 PolarHBondContact N-O 3.36Å; R275-I347 VanDerWaalsContact N-O 3.08Å; R275-I347 PolarHBondContact O-N 3.44Å
276G84.5Confident84.2Confident17 Ų1743.7 Ų43.718%0.17521%0.206CC..SBendtrans101.4-176.2175.800000112.6N308 G309 T343G276-N308 WeakPolarHBondContact O-CA 3.31Å; G276-G309 PolarHBondContact O-N 3.39Å; G276-T343 VanDerWaalsContact CA-OG1 3.29Å; G276-T343 WeakPolarHBondContact CA-OG1 3.49Å
277E84.1Confident82.2Confident74 Ų7445.6 Ų45.635%0.34621%0.21SC..EExtended strand (participates in β ladder)trans-126.3145.3-178.9-56.4178.2171.100109.3I307 N308 N342 T343E277-I307 CarbonylContact C-O 3.5Å; E277-I307 WeakPolarHBondContact CA-O 3.38Å; E277-N308 HydrophobicContact CG-CB 4.07Å; E277-N342 HydrophobicContact CB-CB 4.18Å; E277-N342 WeakPolarHBondContact O-CA 3.38Å; E277-N342 VanDerWaalsContact O-CB 3.31Å; E277-N342 WeakPolarHBondContact O-CB 3.25Å; E277-N342 PolarHBondContact O-N 3.46Å; E277-N342 PolarHBondContact OE2-ND2 3.15Å; E277-T343 HydrophobicContact CB-CG2 3.93Å; E277-T343 HydrophobicContact CG-CG2 3.94Å; E277-T343 PolarHBondContact N-OG1 2.81Å
278L85.9Confident80Confident0 Ų050.4 Ų50.40%023%0.233CC..EExtended strand (participates in β ladder)trans-120.6131.8-177.6-59.4-172.7000110.5I260 I273 L306 I307 I323 I339 I340 T346 I348I260-L278 HydrophobicContact CD1-CD1 4.17Å; I260-L278 HydrophobicContact CD1-CD2 3.29Å; I260-L278 HydrophobicContact CD1-CG 4.37Å; I273-L278 HydrophobicContact CD1-CD1 3.53Å; I273-L278 HydrophobicContact CD1-CG 4.03Å; I273-L278 HydrophobicContact CG1-CD1 3.62Å; I273-L278 HydrophobicContact CG1-CG 4.37Å; L278-L306 WeakPolarHBondContact O-CA 3.39Å; L278-L306 WeakPolarHBondContact O-CD2 3.47Å; L278-I307 PolarHBondContact N-O 3.48Å; L278-I307 PolarHBondContact O-N 2.82Å; L278-I307 VanDerWaalsContact O-N 3.11Å; L278-I323 HydrophobicContact CD1-CD1 3.26Å; L278-I339 HydrophobicContact CB-CG2 4.19Å; L278-I339 HydrophobicContact CD1-CG2 3.81Å; L278-I339 HydrophobicContact CG-CG2 4.43Å; L278-I340 CarbonylContact C-O 3.57Å; L278-I340 WeakPolarHBondContact CA-O 3.49Å; L278-T346 HydrophobicContact CD2-CG2 3.61Å; L278-I348 HydrophobicContact CD1-CD1 3.97Å; L278-I348 HydrophobicContact CD2-CD1 4.21Å
279R85.2Confident77.7Confident58 Ų5854.2 Ų54.222%0.21925%0.253CS..EExtended strand (participates in β ladder)trans-85.5133165.7-173.117372.4-141.6-2.4109.1N257 E281 L306 I340N257-R279 PolarHBondContact OD1-NH2 2.77Å; R279-E281 HydrophobicContact CG-CG 4.26Å; R279-E281 IonicContact CZ-OE1 3.37Å; R279-E281 IonicContact NE-OE1 3.12Å; R279-E281 PolarHBondContact NE-OE1 2.74Å; R279-E281 IonicContact NH2-OE1 3.85Å; R279-E281 PolarHBondContact NH2-OE1 3.3Å; R279-L306 HydrophobicContact CB-CD2 4.07Å; R279-L306 HydrophobicContact CG-CD2 4.49Å; R279-I340 HydrophobicContact CB-CB 4.47Å; R279-I340 PolarHBondContact N-O 3.19Å; R279-I340 PolarHBondContact O-N 3.2Å
280I84.3Confident75.3Confident2 Ų256.8 Ų56.81%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-111.4128.3176.4-50.1174.1000108L304 I307 F337 I339I280-L304 HydrophobicContact CB-CB 3.88Å; I280-L304 HydrophobicContact CB-CD1 4.42Å; I280-L304 HydrophobicContact CG2-CB 4.02Å; I280-L304 HydrophobicContact CG2-CD1 3.61Å; I280-L304 HydrophobicContact CG2-CG 4.33Å; I280-L304 PolarHBondContact O-N 2.92Å; I280-I307 HydrophobicContact CD1-CD1 3.24Å; I280-I307 HydrophobicContact CD1-CG1 3.69Å; I280-I307 HydrophobicContact CG1-CD1 4.24Å; I280-F337 HydrophobicContact CG2-CB 3.59Å; I280-F337 HydrophobicContact CG2-CD1 4.09Å; I280-F337 HydrophobicContact CG2-CD2 4.32Å; I280-F337 HydrophobicContact CG2-CG 3.74Å; I280-I339 HydrophobicContact CB-CD1 4.13Å; I280-I339 HydrophobicContact CG1-CD1 3.79Å; I280-I339 HydrophobicContact CG2-CD1 3.82Å
281E84Confident73.1Confident11 Ų1163.7 Ų63.75%0.05131%0.313CS..EExtended strand (participates in β ladder)trans-120.3132.3179-51.2-177.3165.100109.6R279 H283 K301 Y302 T338 I340R279-E281 HydrophobicContact CG-CG 4.26Å; R279-E281 IonicContact CZ-OE1 3.37Å; R279-E281 IonicContact NE-OE1 3.12Å; R279-E281 PolarHBondContact NE-OE1 2.74Å; R279-E281 IonicContact NH2-OE1 3.85Å; R279-E281 PolarHBondContact NH2-OE1 3.3Å; E281-H283 IonicContact OE2-NE2 3.64Å; E281-K301 VanDerWaalsContact OE1-CE 3.3Å; E281-K301 WeakPolarHBondContact OE1-CE 3.15Å; E281-K301 IonicContact OE1-NZ 3.62Å; E281-K301 PolarHBondContact OE1-NZ 3.12Å; E281-K301 WeakPolarHBondContact OE2-CE 3.26Å; E281-K301 IonicContact OE2-NZ 2.75Å; E281-K301 PolarHBondContact OE2-NZ 3.48Å; E281-K301 VanDerWaalsContact OE2-NZ 3.14Å; E281-Y302 WeakPolarHBondContact CA-O 3.36Å; E281-T338 PolarHBondContact N-O 3.04Å; E281-T338 PolarHBondContact O-N 3.12Å; E281-I340 HydrophobicContact CG-CD1 4.13Å; E281-I340 WeakPolarHBondContact OE1-CD1 3.01Å
282L81.6Confident70.8Confident18 Ų1867.9 Ų67.99%0.09434%0.341CS..EExtended strand (participates in β ladder)trans-113.5118.8172.6175.767.2000109.3V284 K301 Y302 L304 F337L282-V284 HydrophobicContact CD1-CG2 4.48Å; L282-V284 HydrophobicContact CD2-CG2 3.99Å; L282-V284 HydrophobicContact CG-CG2 3.91Å; L282-K301 CarbonylContact O-C 3.56Å; L282-K301 WeakPolarHBondContact O-CA 3.49Å; L282-Y302 PolarHBondContact N-O 2.88Å; L282-Y302 PolarHBondContact O-N 2.52Å; L282-L304 HydrophobicContact CB-CD1 4.08Å; L282-L304 HydrophobicContact CB-CG 4.47Å; L282-F337 HydrophobicContact CB-CD1 4.1Å; L282-F337 HydrophobicContact CB-CE1 4.43Å; L282-F337 HydrophobicContact CD1-CD1 3.99Å; L282-F337 HydrophobicContact CD1-CE1 4.09Å
283H78Confident68.5Low69 Ų6977.3 Ų77.332%0.31938%0.378SS..EExtended strand (participates in β ladder)trans-100.2113.8174.1-61-95.2000110Q263 E281 V300Q263-H283 PolarHBondContact NE2-O 3.5Å; Q263-H283 PolarHBondContact OE1-O 3.2Å; E281-H283 IonicContact OE2-NE2 3.64Å; H283-V300 WeakPolarHBondContact CA-O 3.3Å
284V74.1Confident66.4Low27 Ų2788.8 Ų88.816%0.16442%0.421CS..EExtended strand (participates in β ladder)trans-106.6127.2176.3-174.90000108.9L282 N286 S299 V300 Y302L282-V284 HydrophobicContact CD1-CG2 4.48Å; L282-V284 HydrophobicContact CD2-CG2 3.99Å; L282-V284 HydrophobicContact CG-CG2 3.91Å; V284-N286 PolarHBondContact O-N 3.44Å; V284-S299 CarbonylContact O-C 3.51Å; V284-S299 WeakPolarHBondContact O-CA 3.08Å; V284-V300 PolarHBondContact N-O 3.22Å; V284-V300 PolarHBondContact O-N 3.42Å; V284-Y302 HydrophobicContact CB-CE2 4.1Å; V284-Y302 HydrophobicContact CG2-CD2 3.99Å; V284-Y302 HydrophobicContact CG2-CE2 3.78Å
285K67.2Low64.4Low141 Ų14194.1 Ų94.161%0.61345%0.451SS*.EExtended strand (participates in β ladder)trans-80.4115.3168.3-66.9-175.9179.7-175.80107.9F287K285-F287 HydrophobicContact CB-CE2 4.49Å; K285-F287 PolarHBondContact O-N 2.82Å
286N56.1Low62.5Low66 Ų6693.1 Ų93.135%0.35346%0.457SS..  trans-74.7110.1170.1-72-5000107.9V284 Q288 R298 V300V284-N286 PolarHBondContact O-N 3.44Å; N286-Q288 PolarHBondContact O-N 3.29Å; N286-R298 WeakPolarHBondContact CB-O 3.39Å; N286-R298 PolarHBondContact N-O 3.13Å; N286-V300 WeakPolarHBondContact ND2-CG2 3.39Å
287F49.6Very low60.9Low172 Ų17296 Ų9675%0.75448%0.475SS*.  trans-76.6106.2158.7-66-83.7000105.9K285 D289K285-F287 HydrophobicContact CB-CE2 4.49Å; K285-F287 PolarHBondContact O-N 2.82Å; F287-D289 PolarHBondContact O-N 3.28Å
288Q45Very low59.5Low120 Ų120101.1 Ų101.156%0.56149%0.491SS*.  trans-73.5117.5166.9-69.7-179-3300106.9N286 S290N286-Q288 PolarHBondContact O-N 3.29Å; Q288-S290 PolarHBondContact O-N 3.03Å
289D42.9Very low58.4Low147 Ų147105.1 Ų105.179%0.78652%0.519SS*.  trans-74.332168.4-68.6-28.1000111.7F287 T291F287-D289 PolarHBondContact O-N 3.28Å; D289-T291 PolarHBondContact O-N 3.18Å
290S41.9Very low57.5Low54 Ų54104.6 Ų104.638%0.37852%0.522SS..  trans-92.6103.617758.70000110Q288 T292Q288-S290 PolarHBondContact O-N 3.03Å; S290-T292 PolarHBondContact O-N 2.75Å
291T48.6Very low57Low146 Ų146109 Ų10990%0.89654%0.541SS*.THydrogen-bonded Turntrans-58.99.4178.647.10000115.9D289D289-T291 PolarHBondContact O-N 3.18Å
292T45.8Very low56.3Low106 Ų106112 Ų11265%0.6555%0.552SS**THydrogen-bonded Turntrans-132.81.5-169.551.40000117S290S290-T292 PolarHBondContact O-N 2.75Å
293Y41.6Very low55.7Low200 Ų200115.5 Ų115.578%0.78457%0.571SS**SBendtrans-139.3125.6173.8-82-86.5000112.8N295Y293-N295 PolarHBondContact O-N 3.49Å
294R44.8Very low55.3Low240 Ų240112.5 Ų112.591%0.90656%0.558SS**  trans-35113.3177.7-75175.6171.2164.3-3.2113N296R294-N296 VanDerWaalsContact C-N 3.27Å; R294-N296 PolarHBondContact O-N 3.41Å
295N43.1Very low54.9Low162 Ų162113.5 Ų113.587%0.86657%0.565SS**  trans7.350.2152.6-70.1-9.3000119.8Y293 S297Y293-N295 PolarHBondContact O-N 3.49Å; N295-S297 PolarHBondContact O-N 3Å
296N45.4Very low54.9Low125 Ų125110.7 Ų110.767%0.66856%0.556SS**  trans-93.280.8163.5-80.2-11.5000108.2R294 R298R294-N296 VanDerWaalsContact C-N 3.27Å; R294-N296 PolarHBondContact O-N 3.41Å; N296-R298 VanDerWaalsContact C-N 3.34Å; N296-R298 PolarHBondContact O-N 2.79Å
297S49.9Very low55.7Low78 Ų78108.2 Ų108.255%0.54554%0.543SS..  trans-59.497.5168.857.40000108.8N295 S299N295-S297 PolarHBondContact O-N 3Å; S297-S299 PolarHBondContact O-N 2.95Å
298R55.7Low56.6Low181 Ų181101.3 Ų101.368%0.68351%0.513SS*.PPolyproline II helixtrans-75.6118.3172.9-72.5-175.6178171.70.1108N286 N296N286-R298 WeakPolarHBondContact CB-O 3.39Å; N286-R298 PolarHBondContact N-O 3.13Å; N296-R298 VanDerWaalsContact C-N 3.34Å; N296-R298 PolarHBondContact O-N 2.79Å
299S62.2Low57.1Low84 Ų8496.2 Ų96.259%0.58749%0.493SS*.EExtended strand (participates in β ladder)trans-79.8126.4168.155.40000109.5V284 S297V284-S299 CarbonylContact O-C 3.51Å; V284-S299 WeakPolarHBondContact O-CA 3.08Å; S297-S299 PolarHBondContact O-N 2.95Å
300V66.9Low57.4Low48 Ų4891 Ų9129%0.29147%0.468SS..EExtended strand (participates in β ladder)trans-99.4135.1171.1-177.90000108.5H283 V284 N286 Y302H283-V300 WeakPolarHBondContact CA-O 3.3Å; V284-V300 PolarHBondContact N-O 3.22Å; V284-V300 PolarHBondContact O-N 3.42Å; N286-V300 WeakPolarHBondContact ND2-CG2 3.39Å; V300-Y302 HydrophobicContact CB-CE2 4.02Å; V300-Y302 HydrophobicContact CG1-CD2 4.24Å; V300-Y302 HydrophobicContact CG1-CE1 4.19Å; V300-Y302 HydrophobicContact CG1-CE2 3.65Å
301K72.6Confident57.6Low95 Ų9591.5 Ų91.541%0.41347%0.467SS..EExtended strand (participates in β ladder)trans-102.9130175-178.1-172175.9-174.30108.8E281 L282 D303E281-K301 VanDerWaalsContact OE1-CE 3.3Å; E281-K301 WeakPolarHBondContact OE1-CE 3.15Å; E281-K301 IonicContact OE1-NZ 3.62Å; E281-K301 PolarHBondContact OE1-NZ 3.12Å; E281-K301 WeakPolarHBondContact OE2-CE 3.26Å; E281-K301 IonicContact OE2-NZ 2.75Å; E281-K301 PolarHBondContact OE2-NZ 3.48Å; E281-K301 VanDerWaalsContact OE2-NZ 3.14Å; L282-K301 CarbonylContact O-C 3.56Å; L282-K301 WeakPolarHBondContact O-CA 3.49Å; K301-D303 VanDerWaalsContact CE-OD1 3.25Å; K301-D303 WeakPolarHBondContact CE-OD1 3.48Å; K301-D303 IonicContact NZ-OD1 2.83Å
302Y68.8Low57.4Low72 Ų7286 Ų8628%0.28243%0.433SS..EExtended strand (participates in β ladder)trans-113.5121.1173.3-60.8-89.1000108.9E281 L282 V284 V300 P402E281-Y302 WeakPolarHBondContact CA-O 3.36Å; L282-Y302 PolarHBondContact N-O 2.88Å; L282-Y302 PolarHBondContact O-N 2.52Å; V284-Y302 HydrophobicContact CB-CE2 4.1Å; V284-Y302 HydrophobicContact CG2-CD2 3.99Å; V284-Y302 HydrophobicContact CG2-CE2 3.78Å; V300-Y302 HydrophobicContact CB-CE2 4.02Å; V300-Y302 HydrophobicContact CG1-CD2 4.24Å; V300-Y302 HydrophobicContact CG1-CE1 4.19Å; V300-Y302 HydrophobicContact CG1-CE2 3.65Å; Y302-P402 HydrophobicContact CE2-CG 4.18Å
303D70.2Confident57.1Low92 Ų9286 Ų8649%0.49243%0.429SS..EExtended strand (participates in β ladder)trans-82.2116.5167.9-66-39.4000108.1K301K301-D303 VanDerWaalsContact CE-OD1 3.25Å; K301-D303 WeakPolarHBondContact CE-OD1 3.48Å; K301-D303 IonicContact NZ-OD1 2.83Å
304L69.7Low57.1Low7 Ų778.9 Ų78.94%0.03741%0.407CS..EExtended strand (participates in β ladder)trans-89.6161.9178.9-64.4173.5000109.8I280 L282 L306 F337 L397 Y400I280-L304 HydrophobicContact CB-CB 3.88Å; I280-L304 HydrophobicContact CB-CD1 4.42Å; I280-L304 HydrophobicContact CG2-CB 4.02Å; I280-L304 HydrophobicContact CG2-CD1 3.61Å; I280-L304 HydrophobicContact CG2-CG 4.33Å; I280-L304 PolarHBondContact O-N 2.92Å; L282-L304 HydrophobicContact CB-CD1 4.08Å; L282-L304 HydrophobicContact CB-CG 4.47Å; L304-L306 PolarHBondContact O-N 3.41Å; L304-F337 HydrophobicContact CD1-CD1 3.6Å; L304-F337 HydrophobicContact CD1-CE1 3.52Å; L304-F337 HydrophobicContact CD1-CG 4.42Å; L304-F337 HydrophobicContact CD1-CZ 4.29Å; L304-L397 HydrophobicContact CB-CD2 4.38Å; L304-L397 HydrophobicContact CD1-CD2 3.93Å; L304-L397 HydrophobicContact CD2-CD2 4.25Å; L304-L397 HydrophobicContact CG-CD2 4.43Å; L304-Y400 HydrophobicContact CD2-CG 4.06Å
305P66Low56.7Low48 Ų4873.4 Ų73.431%0.31240%0.402SS..EExtended strand (participates in β ladder)trans-51.2140.3179.4-28.135.3000112.6Y400P305-Y400 HydrophobicContact CG-CD2 3.82Å; P305-Y400 HydrophobicContact CG-CE1 4.22Å; P305-Y400 HydrophobicContact CG-CE2 3.26Å; P305-Y400 VanDerWaalsContact CG-CZ 3.49Å
306L67.3Low56.5Low82 Ų8271.2 Ų71.243%0.42939%0.387SS..EExtended strand (participates in β ladder)trans-58.3141.6173.5-62.1175.8000109.9L278 R279 L304 N342L278-L306 WeakPolarHBondContact O-CA 3.39Å; L278-L306 WeakPolarHBondContact O-CD2 3.47Å; R279-L306 HydrophobicContact CB-CD2 4.07Å; R279-L306 HydrophobicContact CG-CD2 4.49Å; L304-L306 PolarHBondContact O-N 3.41Å; L306-N342 HydrophobicContact CD2-CB 4.46Å
307I72.1Confident56.4Low14 Ų1472.7 Ų72.77%0.07239%0.387CS..EExtended strand (participates in β ladder)trans-111.1128.5166.9-60.7169.2000107.4I273 E277 L278 I280I273-I307 HydrophobicContact CD1-CB 4.03Å; I273-I307 HydrophobicContact CD1-CG2 3.37Å; E277-I307 CarbonylContact C-O 3.5Å; E277-I307 WeakPolarHBondContact CA-O 3.38Å; L278-I307 PolarHBondContact N-O 3.48Å; L278-I307 PolarHBondContact O-N 2.82Å; L278-I307 VanDerWaalsContact O-N 3.11Å; I280-I307 HydrophobicContact CD1-CD1 3.24Å; I280-I307 HydrophobicContact CD1-CG1 3.69Å; I280-I307 HydrophobicContact CG1-CD1 4.24Å
308N67.2Low55.7Low26 Ų2670.5 Ų70.514%0.13937%0.371CS..EExtended strand (participates in β ladder)trans-104.8165175.460.26.7000110.8G276 E277 S310 E316 T318 L321G276-N308 WeakPolarHBondContact O-CA 3.31Å; E277-N308 HydrophobicContact CG-CB 4.07Å; N308-S310 VanDerWaalsContact C-N 3.28Å; N308-S310 PolarHBondContact ND2-OG 2.83Å; N308-E316 PolarHBondContact ND2-OE2 2.79Å; N308-T318 VanDerWaalsContact OD1-CG2 3.26Å; N308-T318 WeakPolarHBondContact OD1-CG2 3.27Å; N308-T318 PolarHBondContact OD1-OG1 2.79Å; N308-L321 WeakPolarHBondContact O-CD2 3.5Å
309G55.9Low55.2Low14 Ų1462.5 Ų62.514%0.14435%0.345CS..  trans-83.84.8174.700000115I273 G276I273-G309 VanDerWaalsContact CG2-CA 3.41Å; G276-G309 PolarHBondContact O-N 3.39Å
310S50.6Low54.7Low36 Ų3658.7 Ų58.725%0.25232%0.318SS..SBendtrans-59.6140.5-179.7-53.90000110.4N308 E316 L321N308-S310 VanDerWaalsContact C-N 3.28Å; N308-S310 PolarHBondContact ND2-OG 2.83Å; S310-E316 WeakPolarHBondContact CB-OE2 3.44Å; S310-E316 PolarHBondContact OG-OE2 3.02Å; S310-L321 WeakPolarHBondContact O-CD1 3.32Å; S310-L321 VanDerWaalsContact O-CD2 3.27Å; S310-L321 WeakPolarHBondContact O-CD2 3.23Å
311N45.9Very low54.6Low66 Ų6657.3 Ų57.335%0.35331%0.309SS..  trans-47.4130.5177.8175.9-1.1000110.4N313 T314N311-N313 PolarHBondContact O-N 3.46Å; N311-N313 WeakPolarHBondContact OD1-CB 3.48Å; N311-N313 PolarHBondContact OD1-N 3.18Å; N311-T314 HydrophobicContact CB-CG2 4.03Å; N311-T314 PolarHBondContact O-N 2.83Å; N311-T314 PolarHBondContact O-OG1 3.2Å
312P43.7Very low55Low29 Ų2952.8 Ų52.819%0.18829%0.289CS..THydrogen-bonded Turntrans-56.2-15.4175.720.3-32.7000114.4I232I232-P312 HydrophobicContact CD1-CB 3.71Å; I232-P312 HydrophobicContact CD1-CG 3.39Å; I232-P312 HydrophobicContact CG1-CG 3.84Å
313N40.5Very low55.9Low107 Ų10749.5 Ų49.557%0.57228%0.277SS*.THydrogen-bonded Turntrans-90.7-2.1172.9-61.6-18.9000114.7N311N311-N313 PolarHBondContact O-N 3.46Å; N311-N313 WeakPolarHBondContact OD1-CB 3.48Å; N311-N313 PolarHBondContact OD1-N 3.18Å
314T41.2Very low56.8Low50 Ų5045.1 Ų45.131%0.30725%0.253SS..SBendtrans-78.6153.6167.7580000109.7N311 E316 K317N311-T314 HydrophobicContact CB-CG2 4.03Å; N311-T314 PolarHBondContact O-N 2.83Å; N311-T314 PolarHBondContact O-OG1 3.2Å; T314-E316 PolarHBondContact O-N 3.26Å; T314-K317 PolarHBondContact O-N 2.83Å
315P35.9Very low57.5Low125 Ų12544.8 Ų44.881%0.81225%0.252SS*.THydrogen-bonded Turntrans-54.8-12.6179.315.5-28.9000115.1K317P315-K317 VanDerWaalsContact C-N 3.33Å; P315-K317 PolarHBondContact O-N 3.01Å
316E39.5Very low58.2Low116 Ų11642.6 Ų42.654%0.54224%0.237SC..THydrogen-bonded Turntrans-78-3179.8-64.1169.5-177.200115.2N308 S310 T314 T318N308-E316 PolarHBondContact ND2-OE2 2.79Å; S310-E316 WeakPolarHBondContact CB-OE2 3.44Å; S310-E316 PolarHBondContact OG-OE2 3.02Å; T314-E316 PolarHBondContact O-N 3.26Å; E316-T318 PolarHBondContact O-N 3.44Å
317K42.3Very low58.9Low156 Ų15638.9 Ų38.968%0.67822%0.217SC*.  trans32.271163.2-65.6-175.3-177.7177.90117.7T314 P315T314-K317 PolarHBondContact O-N 2.83Å; P315-K317 VanDerWaalsContact C-N 3.33Å; P315-K317 PolarHBondContact O-N 3.01Å
318T34.4Very low59.5Low32 Ų3238.7 Ų38.720%0.19622%0.216CC..  trans-109.142.9168.9570000114N308 E316 L321N308-T318 VanDerWaalsContact OD1-CG2 3.26Å; N308-T318 WeakPolarHBondContact OD1-CG2 3.27Å; N308-T318 PolarHBondContact OD1-OG1 2.79Å; E316-T318 PolarHBondContact O-N 3.44Å; T318-L321 WeakPolarHBondContact OG1-CD2 3.29Å
319G45.6Very low60Low14 Ų1437.5 Ų37.514%0.14421%0.21CC..SBendtrans50.7-146.4166.200000114.9L321G319-L321 PolarHBondContact O-N 3.42Å
320S52Low60.8Low3 Ų339.1 Ų39.12%0.02121%0.213CC..  trans-67.5113.1167.340.70000108.8C322 D325S320-C322 PolarHBondContact O-N 3.01Å; S320-D325 PolarHBondContact OG-OD2 3.32Å
321L64.5Low61.9Low19 Ų1945 Ų4510%0.09923%0.234CC..  trans-64.720.5169.1-44.5170000113I273 N308 S310 T318 G319I273-L321 HydrophobicContact CB-CB 4.42Å; I273-L321 WeakPolarHBondContact CG1-O 3.34Å; I273-L321 PolarHBondContact N-O 3.32Å; N308-L321 WeakPolarHBondContact O-CD2 3.5Å; S310-L321 WeakPolarHBondContact O-CD1 3.32Å; S310-L321 VanDerWaalsContact O-CD2 3.27Å; S310-L321 WeakPolarHBondContact O-CD2 3.23Å; T318-L321 WeakPolarHBondContact OG1-CD2 3.29Å; G319-L321 PolarHBondContact O-N 3.42Å
322C80.8Confident63.4Low0 Ų046.8 Ų46.80%024%0.236CC..EExtended strand (participates in β ladder)trans-108.2115.7-167.3-172.90000109Y271 F272 S320 D325 R393Y271-C322 CarbonylContact O-C 3.6Å; Y271-C322 VanDerWaalsContact O-CA 3.28Å; Y271-C322 WeakPolarHBondContact O-CA 3.29Å; F272-C322 HydrophobicContact CD1-CB 4.43Å; F272-C322 HydrophobicContact CE1-CB 4.5Å; S320-C322 PolarHBondContact O-N 3.01Å; C322-D325 HydrophobicContact CB-CB 4.26Å; C322-R393 PolarHBondContact O-NH1 3.43Å
323I88.3Confident65.2Low4 Ų449.4 Ų49.42%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-90.3145.5172.9-64.6154.2000108.7L261 L270 Y271 I273 L278 D325 I339L261-I323 HydrophobicContact CD2-CG2 3.86Å; L270-I323 WeakPolarHBondContact CA-O 3.42Å; Y271-I323 PolarHBondContact N-O 3.47Å; Y271-I323 PolarHBondContact O-N 3.03Å; I273-I323 HydrophobicContact CD1-CD1 4.5Å; L278-I323 HydrophobicContact CD1-CD1 3.26Å; I323-D325 VanDerWaalsContact C-N 3.27Å; I323-I339 HydrophobicContact CD1-CD1 4.3Å; I323-I339 HydrophobicContact CD1-CG1 4.29Å; I323-I339 HydrophobicContact CD1-CG2 3.71Å; I323-I339 HydrophobicContact CG1-CD1 4.37Å; I323-I339 HydrophobicContact CG2-CD1 4.21Å; I323-I339 HydrophobicContact CG2-CG1 3.89Å
324G88.8Confident67.3Low0 Ų048.9 Ų48.90%025%0.246CC..THydrogen-bonded Turntrans87.1-1.5-173.600000113F267 L270 E327 F328F267-G324 VanDerWaalsContact CE2-O 3.29Å; F267-G324 WeakPolarHBondContact CE2-O 3.12Å; L270-G324 VanDerWaalsContact CD2-O 3.25Å; L270-G324 WeakPolarHBondContact CD2-O 3.34Å; G324-E327 VanDerWaalsContact C-OE2 3.28Å; G324-E327 WeakPolarHBondContact CA-OE2 3.49Å; G324-E327 PolarHBondContact O-N 3.04Å; G324-F328 WeakPolarHBondContact O-CB 3.46Å; G324-F328 PolarHBondContact O-N 2.85Å
325D86.1Confident69.4Low0 Ų046.6 Ų46.60%023%0.232CC..Hα-helixtrans-64-41.6-178.359.6-11.9000112.9S320 C322 I323 L329 F386 I390 R393S320-D325 PolarHBondContact OG-OD2 3.32Å; C322-D325 HydrophobicContact CB-CB 4.26Å; I323-D325 VanDerWaalsContact C-N 3.27Å; D325-L329 WeakPolarHBondContact O-CB 3.5Å; D325-L329 PolarHBondContact O-N 3.37Å; D325-F386 HydrophobicContact CB-CE2 4.21Å; D325-F386 HydrophobicContact CB-CZ 3.75Å; D325-I390 HydrophobicContact CB-CD1 3.9Å; D325-I390 HydrophobicContact CB-CG1 3.93Å; D325-R393 IonicContact OD1-CZ 3.43Å; D325-R393 IonicContact OD1-NH1 2.81Å; D325-R393 PolarHBondContact OD1-NH1 2.96Å; D325-R393 IonicContact OD2-NH1 3.14Å; D325-R393 PolarHBondContact OD2-NH1 3.32Å
326L79.9Confident71.6Confident2 Ų242.8 Ų42.81%0.0120%0.204CC..Hα-helixtrans-64.5-50.1174-68.1176.2000111F328 L329 F330 L336 F337 I390 L394 L397L326-F328 VanDerWaalsContact C-N 3.3Å; L326-F328 PolarHBondContact O-N 3.16Å; L326-L329 PolarHBondContact O-N 3.44Å; L326-F330 HydrophobicContact CB-CD2 4.24Å; L326-F330 HydrophobicContact CB-CE2 4.4Å; L326-F330 HydrophobicContact CD2-CE2 3.96Å; L326-F330 WeakPolarHBondContact O-CB 3.4Å; L326-F330 WeakPolarHBondContact O-CD2 3.5Å; L326-F330 WeakPolarHBondContact O-CG 3.43Å; L326-F330 PolarHBondContact O-N 2.73Å; L326-L336 HydrophobicContact CB-CD1 3.96Å; L326-L336 HydrophobicContact CD1-CD1 4.19Å; L326-F337 HydrophobicContact CD1-CE2 4.02Å; L326-F337 HydrophobicContact CD1-CZ 4.4Å; L326-I390 HydrophobicContact CD2-CG2 3.41Å; L326-I390 VanDerWaalsContact CD2-CG2 3.41Å; L326-I390 HydrophobicContact CG-CG2 4.46Å; L326-L394 HydrophobicContact CD1-CD2 3.95Å; L326-L394 HydrophobicContact CD2-CD1 3.85Å; L326-L394 HydrophobicContact CD2-CD2 3.52Å; L326-L394 HydrophobicContact CD2-CG 3.66Å; L326-L394 HydrophobicContact CG-CD2 4.42Å; L326-L397 HydrophobicContact CD1-CD1 4.2Å
327E82.5Confident73.7Confident3 Ų337.8 Ų37.81%0.01418%0.181CC..Hα-helixtrans-59-44.8179-65.285.5162.800111.1F267 G324 K331 Y332 K334 Y335 L336F267-E327 HydrophobicContact CB-CB 4.44Å; F267-E327 HydrophobicContact CD2-CB 3.36Å; F267-E327 HydrophobicContact CD2-CG 4.1Å; F267-E327 HydrophobicContact CE2-CB 3.68Å; F267-E327 HydrophobicContact CG-CB 3.86Å; F267-E327 HydrophobicContact CZ-CB 4.41Å; G324-E327 VanDerWaalsContact C-OE2 3.28Å; G324-E327 WeakPolarHBondContact CA-OE2 3.49Å; G324-E327 PolarHBondContact O-N 3.04Å; E327-K331 CarbonylContact O-C 3.55Å; E327-K331 VanDerWaalsContact O-CA 3.28Å; E327-K331 WeakPolarHBondContact O-CA 3.37Å; E327-K331 PolarHBondContact O-N 3.31Å; E327-Y332 HydrophobicContact CG-CD1 4.41Å; E327-Y332 PolarHBondContact O-N 2.85Å; E327-K334 WeakPolarHBondContact CG-O 3.48Å; E327-Y335 HydrophobicContact CG-CD1 4.43Å; E327-Y335 WeakPolarHBondContact OE1-CA 3.4Å; E327-L336 HydrophobicContact CG-CD1 4.38Å; E327-L336 HydrophobicContact CG-CG 4.07Å; E327-L336 WeakPolarHBondContact OE1-CB 3.45Å; E327-L336 PolarHBondContact OE1-N 2.74Å
328F84.1Confident75.9Confident10 Ų1031 Ų314%0.04415%0.152CC..Hα-helixtrans-60.6-48.9174.4-179-103.7000112.1F267 L270 G324 L326 F330 K331 A356 Q357 I360 L361 F386F267-F328 HydrophobicContact CE1-CB 4.37Å; F267-F328 HydrophobicContact CE1-CD2 4.39Å; F267-F328 HydrophobicContact CE2-CB 4.38Å; F267-F328 HydrophobicContact CZ-CB 3.69Å; F267-F328 HydrophobicContact CZ-CD2 4.14Å; F267-F328 HydrophobicContact CZ-CG 4.44Å; L270-F328 HydrophobicContact CD2-CB 3.77Å; L270-F328 HydrophobicContact CD2-CG 4.21Å; G324-F328 WeakPolarHBondContact O-CB 3.46Å; G324-F328 PolarHBondContact O-N 2.85Å; L326-F328 VanDerWaalsContact C-N 3.3Å; L326-F328 PolarHBondContact O-N 3.16Å; F328-F330 PolarHBondContact O-N 2.84Å; F328-K331 PolarHBondContact O-N 3.27Å; F328-A356 HydrophobicContact CD2-CB 3.92Å; F328-A356 HydrophobicContact CE2-CB 3.39Å; F328-A356 VanDerWaalsContact CZ-C 3.46Å; F328-A356 HydrophobicContact CZ-CB 3.84Å; F328-A356 WeakPolarHBondContact CZ-O 3.44Å; F328-Q357 HydrophobicContact CE2-CG 3.84Å; F328-Q357 HydrophobicContact CZ-CG 4.29Å; F328-I360 HydrophobicContact CE1-CB 4.04Å; F328-I360 HydrophobicContact CE1-CD1 4.23Å; F328-I360 HydrophobicContact CE1-CG2 3.94Å; F328-I360 HydrophobicContact CZ-CB 4.27Å; F328-L361 HydrophobicContact CE1-CD1 4.49Å; F328-L361 HydrophobicContact CE1-CD2 4.18Å; F328-L361 HydrophobicContact CE1-CG 4.12Å; F328-L361 HydrophobicContact CZ-CD1 4Å; F328-L361 HydrophobicContact CZ-CD2 4.39Å; F328-L361 HydrophobicContact CZ-CG 3.82Å; F328-F386 AromaticContact CD1-CE1 3.81Å; F328-F386 HydrophobicContact CD1-CE1 3.81Å; F328-F386 HydrophobicContact CD1-CZ 4.1Å; F328-F386 HydrophobicContact CE1-CE1 4.23Å
329L77.6Confident78.7Confident2 Ų229.4 Ų29.41%0.0114%0.143CC..Hα-helixtrans-64.4-43.9-176-172.873.2000111.1D325 L326 I387 I390 F413 L416 K420D325-L329 WeakPolarHBondContact O-CB 3.5Å; D325-L329 PolarHBondContact O-N 3.37Å; L326-L329 PolarHBondContact O-N 3.44Å; L329-I387 HydrophobicContact CD1-CD1 4.3Å; L329-I387 HydrophobicContact CD1-CG1 3.75Å; L329-I390 HydrophobicContact CB-CD1 4.01Å; L329-I390 HydrophobicContact CD1-CD1 4.42Å; L329-I390 HydrophobicContact CD2-CD1 3.91Å; L329-I390 HydrophobicContact CD2-CG2 4.11Å; L329-I390 HydrophobicContact CG-CD1 4.31Å; L329-F413 HydrophobicContact CD2-CD2 4.06Å; L329-F413 HydrophobicContact CD2-CE2 3.51Å; L329-L416 HydrophobicContact CD1-CD2 4.05Å; L329-L416 HydrophobicContact CD2-CD2 4.03Å; L329-L416 HydrophobicContact CG-CD2 3.54Å; L329-L416 WeakPolarHBondContact O-CD1 3.28Å; L329-L416 VanDerWaalsContact O-CD2 3.3Å; L329-L416 WeakPolarHBondContact O-CD2 3.42Å; L329-K420 HydrophobicContact CD1-CD 4.33Å; L329-K420 PolarHBondContact O-NZ 2.91Å; L329-K420 VanDerWaalsContact O-NZ 3.11Å
330F72.6Confident80.9Confident47 Ų4729.1 Ų29.121%0.20614%0.138CC..Hα-helixtrans-83.1-5.1179.8-68.1-57.6000114.9L326 F328 Y332 L409 F413 L416L326-F330 HydrophobicContact CB-CD2 4.24Å; L326-F330 HydrophobicContact CB-CE2 4.4Å; L326-F330 HydrophobicContact CD2-CE2 3.96Å; L326-F330 WeakPolarHBondContact O-CB 3.4Å; L326-F330 WeakPolarHBondContact O-CD2 3.5Å; L326-F330 WeakPolarHBondContact O-CG 3.43Å; L326-F330 PolarHBondContact O-N 2.73Å; F328-F330 PolarHBondContact O-N 2.84Å; F330-Y332 PolarHBondContact O-N 3.35Å; F330-L409 HydrophobicContact CE2-CD2 4.46Å; F330-F413 VanDerWaalsContact CE1-CA 3.48Å; F330-F413 HydrophobicContact CE1-CB 4.12Å; F330-F413 HydrophobicContact CE1-CD2 4.14Å; F330-F413 HydrophobicContact CE2-CD2 4.39Å; F330-F413 HydrophobicContact CZ-CB 3.74Å; F330-F413 AromaticContact CZ-CD2 3.58Å; F330-F413 HydrophobicContact CZ-CD2 3.58Å; F330-F413 HydrophobicContact CZ-CG 4.15Å; F330-L416 HydrophobicContact CD1-CB 4.46Å; F330-L416 HydrophobicContact CD1-CD1 4.28Å; F330-L416 HydrophobicContact CD1-CD2 4.31Å; F330-L416 HydrophobicContact CE1-CB 4.43Å
331K74.5Confident82.8Confident159 Ų15929 Ų2969%0.69114%0.138SC*.THydrogen-bonded Turntrans52.735-168.8-55.9179.4177177.60112.1E327 F328E327-K331 CarbonylContact O-C 3.55Å; E327-K331 VanDerWaalsContact O-CA 3.28Å; E327-K331 WeakPolarHBondContact O-CA 3.37Å; E327-K331 PolarHBondContact O-N 3.31Å; F328-K331 PolarHBondContact O-N 3.27Å
332Y77.1Confident83.9Confident104 Ų10430.2 Ų30.241%0.40814%0.144SC..  trans-77.6130.4179.9-167.9-108.6000109.4E327 F330 K334 L336E327-Y332 HydrophobicContact CG-CD1 4.41Å; E327-Y332 PolarHBondContact O-N 2.85Å; F330-Y332 PolarHBondContact O-N 3.35Å; Y332-K334 VanDerWaalsContact C-N 3.28Å; Y332-K334 WeakPolarHBondContact CD1-O 3.18Å; Y332-K334 HydrophobicContact CE1-CB 4.19Å; Y332-K334 VanDerWaalsContact CE1-O 3.29Å; Y332-K334 WeakPolarHBondContact CE1-O 3.37Å; Y332-K334 PolarHBondContact O-N 3.38Å; Y332-L336 HydrophobicContact CD1-CD2 3.69Å; Y332-L336 HydrophobicContact CD1-CG 4.15Å; Y332-L336 HydrophobicContact CE1-CD2 3.53Å; Y332-L336 HydrophobicContact CE1-CG 4.36Å
333P81.4Confident84.1Confident85 Ų8532 Ų3255%0.55216%0.155SC*.SBendtrans-77.7-6.2-165.229.5-36.7000114.9F267F267-P333 WeakPolarHBondContact CB-O 3.49Å; F267-P333 PolarHBondContact N-O 3.16Å
334K83.5Confident84Confident96 Ų9635.7 Ų35.742%0.41718%0.181SC..BIsolated β-bridgetrans-139.1147.4-173-66178.5177.1-178.60111.2N264 S265 E327 Y332 L336N264-K334 HydrophobicContact CB-CD 4.42Å; N264-K334 WeakPolarHBondContact O-CD 3.49Å; S265-K334 CarbonylContact O-C 3.59Å; S265-K334 WeakPolarHBondContact O-CA 3.17Å; E327-K334 WeakPolarHBondContact CG-O 3.48Å; Y332-K334 VanDerWaalsContact C-N 3.28Å; Y332-K334 WeakPolarHBondContact CD1-O 3.18Å; Y332-K334 HydrophobicContact CE1-CB 4.19Å; Y332-K334 VanDerWaalsContact CE1-O 3.29Å; Y332-K334 WeakPolarHBondContact CE1-O 3.37Å; Y332-K334 PolarHBondContact O-N 3.38Å; K334-L336 PolarHBondContact O-N 3.26Å
335Y86.9Confident83.9Confident2 Ų238.3 Ų38.31%0.00820%0.195CC..  trans-62.9133.4173.5-67.5-73.5000111.5L261 N264 S265 I266 F267 N268 G269 Y271 E327L261-Y335 HydrophobicContact CD1-CD1 4.1Å; L261-Y335 HydrophobicContact CD1-CD2 4.27Å; L261-Y335 HydrophobicContact CD1-CG 3.79Å; L261-Y335 HydrophobicContact CD2-CD1 3.81Å; L261-Y335 HydrophobicContact CD2-CD2 4.26Å; L261-Y335 HydrophobicContact CD2-CE1 3.76Å; L261-Y335 HydrophobicContact CD2-CE2 4.19Å; L261-Y335 HydrophobicContact CD2-CG 4.07Å; L261-Y335 HydrophobicContact CG-CG 4.46Å; N264-Y335 PolarHBondContact N-O 3.18Å; S265-Y335 PolarHBondContact O-N 2.78Å; S265-Y335 WeakPolarHBondContact OG-CD2 3.45Å; I266-Y335 WeakPolarHBondContact O-CE2 3.5Å; F267-Y335 HydrophobicContact CD2-CD1 4Å; F267-Y335 AromaticContact CD2-CE1 3.45Å; F267-Y335 HydrophobicContact CD2-CE1 3.45Å; F267-Y335 VanDerWaalsContact CD2-CE1 3.45Å; F267-Y335 AromaticContact CD2-CZ 3.75Å; F267-Y335 AromaticContact CE2-CE1 3.92Å; F267-Y335 HydrophobicContact CE2-CE1 3.92Å; N268-Y335 PolarHBondContact N-OH 2.96Å; N268-Y335 PolarHBondContact OD1-OH 3.28Å; G269-Y335 PolarHBondContact N-OH 2.99Å; G269-Y335 VanDerWaalsContact N-OH 3.14Å; G269-Y335 PolarHBondContact O-OH 3.28Å; Y271-Y335 HydrophobicContact CE2-CE1 4.22Å; Y271-Y335 AromaticContact CE2-CZ 3.85Å; Y271-Y335 WeakPolarHBondContact CE2-OH 3.49Å; E327-Y335 HydrophobicContact CG-CD1 4.43Å; E327-Y335 WeakPolarHBondContact OE1-CA 3.4Å
336L81.2Confident84Confident44 Ų4438.3 Ų38.323%0.2320%0.195CC..SBendtrans-77.1-25.9-178.3-67.5170.9000112.3Q263 L326 E327 Y332 K334Q263-L336 WeakPolarHBondContact CG-O 3.4Å; L326-L336 HydrophobicContact CB-CD1 3.96Å; L326-L336 HydrophobicContact CD1-CD1 4.19Å; E327-L336 HydrophobicContact CG-CD1 4.38Å; E327-L336 HydrophobicContact CG-CG 4.07Å; E327-L336 WeakPolarHBondContact OE1-CB 3.45Å; E327-L336 PolarHBondContact OE1-N 2.74Å; Y332-L336 HydrophobicContact CD1-CD2 3.69Å; Y332-L336 HydrophobicContact CD1-CG 4.15Å; Y332-L336 HydrophobicContact CE1-CD2 3.53Å; Y332-L336 HydrophobicContact CE1-CG 4.36Å; K334-L336 PolarHBondContact O-N 3.26Å
337F84.1Confident84.4Confident11 Ų1139.1 Ų39.15%0.04820%0.199CC..SBendtrans-128.7154-172.7-49.5-65.6000111.5L261 Q263 I280 L282 L304 L326 I339 L397L261-F337 WeakPolarHBondContact CD1-O 3.46Å; Q263-F337 PolarHBondContact N-O 2.88Å; I280-F337 HydrophobicContact CG2-CB 3.59Å; I280-F337 HydrophobicContact CG2-CD1 4.09Å; I280-F337 HydrophobicContact CG2-CD2 4.32Å; I280-F337 HydrophobicContact CG2-CG 3.74Å; L282-F337 HydrophobicContact CB-CD1 4.1Å; L282-F337 HydrophobicContact CB-CE1 4.43Å; L282-F337 HydrophobicContact CD1-CD1 3.99Å; L282-F337 HydrophobicContact CD1-CE1 4.09Å; L304-F337 HydrophobicContact CD1-CD1 3.6Å; L304-F337 HydrophobicContact CD1-CE1 3.52Å; L304-F337 HydrophobicContact CD1-CG 4.42Å; L304-F337 HydrophobicContact CD1-CZ 4.29Å; L326-F337 HydrophobicContact CD1-CE2 4.02Å; L326-F337 HydrophobicContact CD1-CZ 4.4Å; F337-I339 HydrophobicContact CB-CD1 4.14Å; F337-L397 HydrophobicContact CE2-CD1 4.42Å; F337-L397 HydrophobicContact CZ-CD1 4.21Å
338T88.8Confident84.9Confident13 Ų1339 Ų398%0.0820%0.199CC..EExtended strand (participates in β ladder)trans-87.4136.2161.6-64.20000108I259 Q263 E281 I340I259-T338 HydrophobicContact CG2-CG2 4.41Å; Q263-T338 WeakPolarHBondContact CB-OG1 3.45Å; Q263-T338 PolarHBondContact N-OG1 2.98Å; E281-T338 PolarHBondContact N-O 3.04Å; E281-T338 PolarHBondContact O-N 3.12Å; T338-I340 HydrophobicContact CG2-CD1 4.14Å; T338-I340 HydrophobicContact CG2-CG1 4.12Å
339I92.5Very high85.2Confident0 Ų038.5 Ų38.50%020%0.197CC..EExtended strand (participates in β ladder)trans-123.2129.9-177.4-54.7-68.3000109.1I260 L261 L278 I280 I323 F337I260-I339 HydrophobicContact CB-CB 4.41Å; I260-I339 HydrophobicContact CB-CG2 4.21Å; I260-I339 HydrophobicContact CD1-CG2 3.9Å; I260-I339 PolarHBondContact N-O 3.44Å; L261-I339 HydrophobicContact CD1-CB 4.15Å; L261-I339 HydrophobicContact CD1-CG1 3.6Å; L261-I339 HydrophobicContact CD2-CG1 4.44Å; L261-I339 HydrophobicContact CG-CB 4.02Å; L261-I339 HydrophobicContact CG-CG1 3.87Å; L261-I339 PolarHBondContact N-O 2.91Å; L261-I339 PolarHBondContact O-N 3.2Å; L278-I339 HydrophobicContact CB-CG2 4.19Å; L278-I339 HydrophobicContact CD1-CG2 3.81Å; L278-I339 HydrophobicContact CG-CG2 4.43Å; I280-I339 HydrophobicContact CB-CD1 4.13Å; I280-I339 HydrophobicContact CG1-CD1 3.79Å; I280-I339 HydrophobicContact CG2-CD1 3.82Å; I323-I339 HydrophobicContact CD1-CD1 4.3Å; I323-I339 HydrophobicContact CD1-CG1 4.29Å; I323-I339 HydrophobicContact CD1-CG2 3.71Å; I323-I339 HydrophobicContact CG1-CD1 4.37Å; I323-I339 HydrophobicContact CG2-CD1 4.21Å; I323-I339 HydrophobicContact CG2-CG1 3.89Å; F337-I339 HydrophobicContact CB-CD1 4.14Å
340I92.3Very high86Confident8 Ų839.9 Ų39.94%0.04120%0.202CC..EExtended strand (participates in β ladder)trans-131.9137.3-174.2-62.5164.4000109.3Q258 I259 L278 R279 E281 T338 N342Q258-I340 WeakPolarHBondContact O-CA 3.47Å; I259-I340 HydrophobicContact CG1-CG1 4.08Å; L278-I340 CarbonylContact C-O 3.57Å; L278-I340 WeakPolarHBondContact CA-O 3.49Å; R279-I340 HydrophobicContact CB-CB 4.47Å; R279-I340 PolarHBondContact N-O 3.19Å; R279-I340 PolarHBondContact O-N 3.2Å; E281-I340 HydrophobicContact CG-CD1 4.13Å; E281-I340 WeakPolarHBondContact OE1-CD1 3.01Å; T338-I340 HydrophobicContact CG2-CD1 4.14Å; T338-I340 HydrophobicContact CG2-CG1 4.12Å; I340-N342 PolarHBondContact O-N 3.1Å
341S91.5Very high86.9Confident1 Ų137.6 Ų37.61%0.00719%0.192CC..EExtended strand (participates in β ladder)trans-67.3128.4172.648.40000111.2E255 N257 Q258 T346E255-S341 WeakPolarHBondContact O-CB 3.28Å; E255-S341 PolarHBondContact O-OG 3.48Å; N257-S341 VanDerWaalsContact CA-O 3.27Å; N257-S341 WeakPolarHBondContact CA-O 3.32Å; N257-S341 PolarHBondContact N-O 2.83Å; N257-S341 PolarHBondContact N-OG 2.82Å; Q258-S341 PolarHBondContact N-OG 3.33Å; Q258-S341 PolarHBondContact O-N 3.27Å; Q258-S341 PolarHBondContact O-OG 2.86Å; Q258-S341 VanDerWaalsContact O-OG 3.13Å; S341-T346 WeakPolarHBondContact CB-OG1 3.29Å
342N87.6Confident87.7Confident43 Ų4331.3 Ų31.323%0.2317%0.166CC..  trans-103.3-5.1179.6-166.654.3000112.8Y256 E277 L306 I340Y256-N342 WeakPolarHBondContact CD2-O 3.49Å; Y256-N342 VanDerWaalsContact CE2-O 3.29Å; Y256-N342 WeakPolarHBondContact CE2-O 3.44Å; E277-N342 HydrophobicContact CB-CB 4.18Å; E277-N342 WeakPolarHBondContact O-CA 3.38Å; E277-N342 VanDerWaalsContact O-CB 3.31Å; E277-N342 WeakPolarHBondContact O-CB 3.25Å; E277-N342 PolarHBondContact O-N 3.46Å; E277-N342 PolarHBondContact OE2-ND2 3.15Å; L306-N342 HydrophobicContact CD2-CB 4.46Å; I340-N342 PolarHBondContact O-N 3.1Å
343T85.8Confident88.2Confident37 Ų3729.1 Ų29.123%0.22716%0.161CC..SBendtrans-123.5156.117561.90000111.6Y256 G276 E277 N345 T346Y256-T343 PolarHBondContact N-O 3.41Å; G276-T343 VanDerWaalsContact CA-OG1 3.29Å; G276-T343 WeakPolarHBondContact CA-OG1 3.49Å; E277-T343 HydrophobicContact CB-CG2 3.93Å; E277-T343 HydrophobicContact CG-CG2 3.94Å; E277-T343 PolarHBondContact N-OG1 2.81Å; T343-N345 VanDerWaalsContact C-N 3.26Å; T343-N345 PolarHBondContact O-N 3.06Å; T343-T346 PolarHBondContact O-OG1 3.17Å; T343-T346 PolarHBondContact OG1-OG1 3.44Å; T343-T346 VanDerWaalsContact OG1-OG1 3.05Å
344S86.2Confident88.4Confident83 Ų8329.6 Ų29.658%0.5815%0.154SC*.SBendtrans-64.5-23.6-176.353.20000114.7E255E255-S344 WeakPolarHBondContact CA-O 3.5Å; E255-S344 VanDerWaalsContact OE2-O 3.13Å
345N85.8Confident88.6Confident55 Ų5525.3 Ų25.329%0.29414%0.136SC..SBendtrans-137.685176.8-175.210.5000109.7T343T343-N345 VanDerWaalsContact C-N 3.26Å; T343-N345 PolarHBondContact O-N 3.06Å
346T88.9Confident88.8Confident0 Ų025.2 Ų25.20%014%0.135CC..EExtended strand (participates in β ladder)trans-93129177-60.60000109.2T253 Y254 R275 L278 S341 T343 I348T253-T346 CarbonylContact C-O 3.57Å; T253-T346 WeakPolarHBondContact CA-O 3.26Å; Y254-T346 PolarHBondContact N-O 3.41Å; Y254-T346 PolarHBondContact O-N 3.46Å; R275-T346 CarbonylContact O-C 3.46Å; R275-T346 WeakPolarHBondContact O-CA 3.3Å; L278-T346 HydrophobicContact CD2-CG2 3.61Å; S341-T346 WeakPolarHBondContact CB-OG1 3.29Å; T343-T346 PolarHBondContact O-OG1 3.17Å; T343-T346 PolarHBondContact OG1-OG1 3.44Å; T343-T346 VanDerWaalsContact OG1-OG1 3.05Å; T346-I348 HydrophobicContact CG2-CD1 4.07Å; T346-I348 HydrophobicContact CG2-CG1 4Å
347I88.6Confident88.9Confident19 Ų1926.2 Ų26.210%0.09714%0.139CC..EExtended strand (participates in β ladder)trans-117.5125.5178.2-50.2178.7000109.1K251 T253 Q274 R275K251-I347 HydrophobicContact CD-CG2 4.48Å; K251-I347 HydrophobicContact CG-CG2 4.02Å; T253-I347 HydrophobicContact CG2-CG1 4.21Å; Q274-I347 HydrophobicContact CB-CB 4.24Å; Q274-I347 HydrophobicContact CB-CG2 4.13Å; Q274-I347 WeakPolarHBondContact CB-O 3.44Å; Q274-I347 PolarHBondContact N-O 3.4Å; R275-I347 HydrophobicContact CB-CB 4.07Å; R275-I347 HydrophobicContact CB-CD1 4.26Å; R275-I347 HydrophobicContact CB-CG1 4.14Å; R275-I347 PolarHBondContact N-O 3.36Å; R275-I347 VanDerWaalsContact N-O 3.08Å; R275-I347 PolarHBondContact O-N 3.44Å
348I91.3Very high88.9Confident0 Ų026.8 Ų26.80%014%0.141CC..EExtended strand (participates in β ladder)trans-130.3141.4-177.6-61.9177.4000109.2Q252 Y254 I260 Y271 F272 L278 T346Q252-I348 PolarHBondContact N-O 3.09Å; Q252-I348 PolarHBondContact O-N 3.04Å; Y254-I348 HydrophobicContact CD2-CD1 4.12Å; Y254-I348 HydrophobicContact CE2-CD1 4.15Å; I260-I348 HydrophobicContact CD1-CD1 3.43Å; I260-I348 VanDerWaalsContact CD1-CD1 3.43Å; I260-I348 HydrophobicContact CG1-CD1 4.02Å; I260-I348 HydrophobicContact CG2-CD1 4.06Å; Y271-I348 HydrophobicContact CD1-CG2 3.83Å; Y271-I348 HydrophobicContact CG-CG2 4.26Å; F272-I348 CarbonylContact O-C 3.48Å; F272-I348 WeakPolarHBondContact O-CA 3.24Å; L278-I348 HydrophobicContact CD1-CD1 3.97Å; L278-I348 HydrophobicContact CD2-CD1 4.21Å; T346-I348 HydrophobicContact CG2-CD1 4.07Å; T346-I348 HydrophobicContact CG2-CG1 4Å
349Y92.2Very high88.8Confident0 Ų026.5 Ų26.50%014%0.138CC..EExtended strand (participates in β ladder)trans-100.6125.5166.5-72.4-66000110.6R224 Y227 L249 I250 K251 Y271 F272 Q274R224-Y349 HydrophobicContact CG-CD1 4.49Å; R224-Y349 HydrophobicContact CG-CE1 3.55Å; Y227-Y349 AromaticContact CD1-CD2 3.38Å; Y227-Y349 HydrophobicContact CD1-CD2 3.38Å; Y227-Y349 AromaticContact CD1-CE2 3.6Å; Y227-Y349 HydrophobicContact CD1-CE2 3.6Å; Y227-Y349 HydrophobicContact CD1-CG 4.41Å; Y227-Y349 HydrophobicContact CD2-CE2 4.33Å; Y227-Y349 AromaticContact CE1-CD2 3.48Å; Y227-Y349 HydrophobicContact CE1-CD2 3.48Å; Y227-Y349 VanDerWaalsContact CE1-CD2 3.48Å; Y227-Y349 HydrophobicContact CE1-CE2 4.12Å; Y227-Y349 HydrophobicContact CE1-CG 4.42Å; Y227-Y349 AromaticContact CG-CD2 3.96Å; Y227-Y349 HydrophobicContact CG-CD2 3.96Å; Y227-Y349 AromaticContact CG-CE2 3.71Å; Y227-Y349 HydrophobicContact CG-CE2 3.71Å; L249-Y349 HydrophobicContact CB-CD1 3.92Å; L249-Y349 HydrophobicContact CB-CG 4.23Å; L249-Y349 HydrophobicContact CD1-CD1 4.44Å; L249-Y349 HydrophobicContact CD1-CD2 4.46Å; L249-Y349 HydrophobicContact CD1-CG 4.07Å; I250-Y349 CarbonylContact O-C 3.51Å; I250-Y349 WeakPolarHBondContact O-CA 3.22Å; K251-Y349 HydrophobicContact CB-CD1 4.01Å; K251-Y349 HydrophobicContact CB-CE1 3.67Å; K251-Y349 HydrophobicContact CD-CE1 4.22Å; K251-Y349 HydrophobicContact CG-CD1 4.35Å; K251-Y349 HydrophobicContact CG-CE1 3.8Å; Y271-Y349 CarbonylContact C-O 3.58Å; Y271-Y349 WeakPolarHBondContact CA-O 3.38Å; F272-Y349 PolarHBondContact N-O 2.96Å; F272-Y349 PolarHBondContact O-N 3.25Å; Q274-Y349 HydrophobicContact CB-CD2 4.04Å; Q274-Y349 HydrophobicContact CB-CE2 3.91Å; Q274-Y349 HydrophobicContact CG-CE2 3.98Å; Q274-Y349 PolarHBondContact OE1-OH 2.99Å; Q274-Y349 VanDerWaalsContact OE1-OH 3.08Å
350Y92.8Very high88.4Confident30 Ų3026.5 Ų26.512%0.11814%0.138CC..EExtended strand (participates in β ladder)trans-96.4134.5173.9168.5-105.4000111L249 I250 N268 L270 Y271 N352L249-Y350 WeakPolarHBondContact CA-O 3.44Å; I250-Y350 HydrophobicContact CB-CD1 4.36Å; I250-Y350 HydrophobicContact CD1-CD1 4.17Å; I250-Y350 PolarHBondContact N-O 2.9Å; I250-Y350 PolarHBondContact O-N 3.33Å; N268-Y350 PolarHBondContact O-OH 3.49Å; L270-Y350 CarbonylContact O-C 3.46Å; L270-Y350 WeakPolarHBondContact O-CA 3.34Å; Y271-Y350 AromaticContact CD1-CD2 3.97Å; Y271-Y350 HydrophobicContact CD1-CD2 3.97Å; Y271-Y350 HydrophobicContact CD1-CG 4.49Å; Y271-Y350 HydrophobicContact CD2-CD2 4.31Å; Y271-Y350 AromaticContact CE1-CD2 3.59Å; Y271-Y350 HydrophobicContact CE1-CD2 3.59Å; Y271-Y350 HydrophobicContact CE1-CE2 4.43Å; Y271-Y350 HydrophobicContact CE1-CG 4.18Å; Y271-Y350 AromaticContact CE2-CD2 3.94Å; Y271-Y350 HydrophobicContact CE2-CD2 3.94Å; Y271-Y350 HydrophobicContact CE2-CE2 4.21Å; Y271-Y350 HydrophobicContact CG-CD2 4.32Å; Y271-Y350 AromaticContact CZ-CD2 3.57Å; Y271-Y350 AromaticContact CZ-CE2 3.98Å; Y350-N352 HydrophobicContact CE1-CB 4.1Å; Y350-N352 WeakPolarHBondContact OH-CA 3.3Å
351M92.7Very high87.7Confident0 Ų027.1 Ų27.10%014%0.141CC..EExtended strand (participates in β ladder)trans-121.1123.3171.4-173.4-174.8-67.900109F234 I245 L249 G269 L270 F272 N355 A356 Y359F234-M351 HydrophobicContact CE2-CE 4.35Å; F234-M351 HydrophobicContact CZ-CE 4.33Å; I245-M351 HydrophobicContact CG2-CE 3.8Å; L249-M351 HydrophobicContact CD2-CB 3.83Å; L249-M351 HydrophobicContact CD2-CE 3.65Å; L249-M351 HydrophobicContact CD2-CG 4.42Å; G269-M351 CarbonylContact C-O 3.44Å; G269-M351 WeakPolarHBondContact CA-O 3.42Å; L270-M351 HydrophobicContact CB-CB 4.45Å; L270-M351 PolarHBondContact N-O 2.87Å; L270-M351 PolarHBondContact O-N 2.8Å; F272-M351 HydrophobicContact CD2-CB 4.47Å; F272-M351 HydrophobicContact CE2-CB 3.73Å; F272-M351 HydrophobicContact CE2-CE 3.9Å; F272-M351 HydrophobicContact CE2-SD 4.33Å; F272-M351 HydrophobicContact CZ-CE 3.92Å; F272-M351 HydrophobicContact CZ-SD 4.4Å; M351-N355 HydrophobicContact CG-CB 3.7Å; M351-N355 HydrophobicContact SD-CB 4.26Å; M351-A356 VanDerWaalsContact SD-CA 3.6Å; M351-A356 HydrophobicContact SD-CB 4.06Å; M351-Y359 HydrophobicContact CE-CD2 4.45Å; M351-Y359 HydrophobicContact SD-CD2 4.3Å
352N90.7Very high86.8Confident27 Ų2727.2 Ų27.214%0.14414%0.142CC..EExtended strand (participates in β ladder)trans-66.4160.7178.372.454.1000112.8Y350 K354 N355 A356Y350-N352 HydrophobicContact CE1-CB 4.1Å; Y350-N352 WeakPolarHBondContact OH-CA 3.3Å; N352-K354 VanDerWaalsContact C-N 3.3Å; N352-K354 PolarHBondContact O-N 2.65Å; N352-K354 WeakPolarHBondContact OD1-CA 3.25Å; N352-K354 WeakPolarHBondContact OD1-CB 3.42Å; N352-K354 PolarHBondContact OD1-N 3.33Å; N352-N355 PolarHBondContact ND2-ND2 3.43Å; N352-N355 PolarHBondContact O-N 3.28Å; N352-N355 PolarHBondContact OD1-N 3.18Å; N352-A356 PolarHBondContact O-N 3.05Å
353I88.4Confident85.7Confident58 Ų5832.1 Ų32.130%0.29716%0.158SC..Hα-helixtrans-57-37.9-178.1-168.5174.8000113.7F267 N268 A356 Q357F267-I353 HydrophobicContact CD1-CD1 3.92Å; F267-I353 HydrophobicContact CE1-CB 4.41Å; F267-I353 HydrophobicContact CE1-CD1 3.56Å; F267-I353 HydrophobicContact CE1-CG1 3.88Å; N268-I353 PolarHBondContact O-N 2.89Å; I353-A356 PolarHBondContact O-N 3.07Å; I353-Q357 HydrophobicContact CG1-CG 4.42Å; I353-Q357 WeakPolarHBondContact O-CB 3.35Å; I353-Q357 VanDerWaalsContact O-CG 3.24Å; I353-Q357 WeakPolarHBondContact O-CG 3.36Å; I353-Q357 PolarHBondContact O-N 2.92Å
354K84.6Confident84.5Confident95 Ų9533 Ų3341%0.41316%0.16SC..Hα-helixtrans-64.4-44.3179.5-66-174.5178.4-175.20110.8N352 Q357 R358N352-K354 VanDerWaalsContact C-N 3.3Å; N352-K354 PolarHBondContact O-N 2.65Å; N352-K354 WeakPolarHBondContact OD1-CA 3.25Å; N352-K354 WeakPolarHBondContact OD1-CB 3.42Å; N352-K354 PolarHBondContact OD1-N 3.33Å; K354-Q357 PolarHBondContact O-N 3.41Å; K354-R358 WeakPolarHBondContact O-CB 3.34Å; K354-R358 PolarHBondContact O-N 3.29Å
355N88.8Confident83.1Confident6 Ų630.1 Ų30.13%0.03214%0.138CC..Hα-helixtrans-69.4-38.5175.9-81.2-48.7000112.5V129 S248 M351 N352 Q357 R358 Y359V129-N355 PolarHBondContact O-ND2 3.15Å; V129-N355 PolarHBondContact O-OD1 3.21Å; S248-N355 WeakPolarHBondContact CB-ND2 3.25Å; M351-N355 HydrophobicContact CG-CB 3.7Å; M351-N355 HydrophobicContact SD-CB 4.26Å; N352-N355 PolarHBondContact ND2-ND2 3.43Å; N352-N355 PolarHBondContact O-N 3.28Å; N352-N355 PolarHBondContact OD1-N 3.18Å; N355-Q357 VanDerWaalsContact C-N 3.35Å; N355-Q357 PolarHBondContact O-N 3.05Å; N355-R358 WeakPolarHBondContact O-CB 3.17Å; N355-R358 PolarHBondContact O-N 2.88Å; N355-Y359 HydrophobicContact CB-CD2 4.16Å; N355-Y359 HydrophobicContact CB-CE2 3.93Å; N355-Y359 WeakPolarHBondContact O-CD2 3.26Å; N355-Y359 PolarHBondContact O-N 3.39Å
356A90.1Very high81.4Confident0 Ų034.6 Ų34.60%016%0.155CC..Hα-helixtrans-60.1-46.4173.500000111L270 F328 M351 N352 I353 R358 I360L270-A356 HydrophobicContact CD1-CB 3.65Å; L270-A356 HydrophobicContact CG-CB 3.98Å; F328-A356 HydrophobicContact CD2-CB 3.92Å; F328-A356 HydrophobicContact CE2-CB 3.39Å; F328-A356 VanDerWaalsContact CZ-C 3.46Å; F328-A356 HydrophobicContact CZ-CB 3.84Å; F328-A356 WeakPolarHBondContact CZ-O 3.44Å; M351-A356 VanDerWaalsContact SD-CA 3.6Å; M351-A356 HydrophobicContact SD-CB 4.06Å; N352-A356 PolarHBondContact O-N 3.05Å; I353-A356 PolarHBondContact O-N 3.07Å; A356-R358 VanDerWaalsContact C-N 3.34Å; A356-R358 PolarHBondContact O-N 3.39Å; A356-I360 WeakPolarHBondContact O-CA 3.2Å; A356-I360 VanDerWaalsContact O-CB 3.23Å; A356-I360 WeakPolarHBondContact O-CB 3.49Å; A356-I360 PolarHBondContact O-N 2.82Å
357Q84Confident79.3Confident64 Ų6440.2 Ų40.230%0.29918%0.177SC..Hα-helixtrans-59.9-44.7173.3-72.4172.7-14.200111.6F328 I353 K354 N355 L361 S362 Y363F328-Q357 HydrophobicContact CE2-CG 3.84Å; F328-Q357 HydrophobicContact CZ-CG 4.29Å; I353-Q357 HydrophobicContact CG1-CG 4.42Å; I353-Q357 WeakPolarHBondContact O-CB 3.35Å; I353-Q357 VanDerWaalsContact O-CG 3.24Å; I353-Q357 WeakPolarHBondContact O-CG 3.36Å; I353-Q357 PolarHBondContact O-N 2.92Å; K354-Q357 PolarHBondContact O-N 3.41Å; N355-Q357 VanDerWaalsContact C-N 3.35Å; N355-Q357 PolarHBondContact O-N 3.05Å; Q357-L361 HydrophobicContact CB-CD1 4.44Å; Q357-L361 HydrophobicContact CG-CD1 4.12Å; Q357-L361 CarbonylContact O-C 3.53Å; Q357-L361 WeakPolarHBondContact O-CA 3.5Å; Q357-L361 VanDerWaalsContact O-CB 3.26Å; Q357-L361 WeakPolarHBondContact O-CB 3.33Å; Q357-L361 PolarHBondContact O-N 3.16Å; Q357-S362 PolarHBondContact O-N 2.98Å; Q357-Y363 HydrophobicContact CB-CD2 3.71Å; Q357-Y363 HydrophobicContact CB-CE2 4.01Å; Q357-Y363 HydrophobicContact CG-CD2 4.4Å; Q357-Y363 HydrophobicContact CG-CE2 4.22Å; Q357-Y363 PolarHBondContact O-N 3.33Å
358R82.4Confident77Confident24 Ų2443.9 Ų43.99%0.09120%0.197CC..Hα-helixtrans-56.3-55.6178-169.7-176.3174.7-177-0.2111.7Y87 V129 K354 N355 A356 S362 Y363 H364Y87-R358 VanDerWaalsContact CE1-NH2 3.26Å; V129-R358 VanDerWaalsContact CB-NH1 3.34Å; K354-R358 WeakPolarHBondContact O-CB 3.34Å; K354-R358 PolarHBondContact O-N 3.29Å; N355-R358 WeakPolarHBondContact O-CB 3.17Å; N355-R358 PolarHBondContact O-N 2.88Å; A356-R358 VanDerWaalsContact C-N 3.34Å; A356-R358 PolarHBondContact O-N 3.39Å; R358-S362 CarbonylContact O-C 3.51Å; R358-S362 VanDerWaalsContact O-CA 3.3Å; R358-S362 WeakPolarHBondContact O-CA 3.29Å; R358-S362 PolarHBondContact O-N 2.84Å; R358-Y363 PolarHBondContact O-N 2.71Å; R358-H364 HydrophobicContact CG-CB 3.69Å; R358-H364 PolarHBondContact O-CE1 2.87Å; R358-H364 PolarHBondContact O-ND1 2.95Å
359Y87.2Confident74.8Confident6 Ų651 Ų512%0.02424%0.235CC..Hα-helixtrans-88.7-31.6-169.5-58.1-58000113.9I241 Q244 I245 S248 M351 N355I241-Y359 HydrophobicContact CG2-CD1 4.24Å; I241-Y359 HydrophobicContact CG2-CE1 4.48Å; Q244-Y359 HydrophobicContact CB-CE1 4.15Å; Q244-Y359 WeakPolarHBondContact CB-OH 3.17Å; Q244-Y359 PolarHBondContact O-OH 2.94Å; I245-Y359 HydrophobicContact CB-CD2 4.5Å; I245-Y359 HydrophobicContact CD1-CD1 4.23Å; I245-Y359 HydrophobicContact CD1-CG 4.14Å; I245-Y359 HydrophobicContact CG1-CD1 3.6Å; I245-Y359 HydrophobicContact CG1-CD2 3.69Å; I245-Y359 HydrophobicContact CG1-CE1 3.92Å; I245-Y359 HydrophobicContact CG1-CE2 3.99Å; I245-Y359 HydrophobicContact CG1-CG 3.49Å; I245-Y359 VanDerWaalsContact CG1-CG 3.49Å; S248-Y359 WeakPolarHBondContact OG-CE2 3.48Å; M351-Y359 HydrophobicContact CE-CD2 4.45Å; M351-Y359 HydrophobicContact SD-CD2 4.3Å; N355-Y359 HydrophobicContact CB-CD2 4.16Å; N355-Y359 HydrophobicContact CB-CE2 3.93Å; N355-Y359 WeakPolarHBondContact O-CD2 3.26Å; N355-Y359 PolarHBondContact O-N 3.39Å
360I84.7Confident72.3Confident0 Ų057.8 Ų57.80%027%0.272CS..Hα-helixtrans-92.2-41.8-179.1-57.2172.5000111.1F234 L270 F328 A356 L383 F386F234-I360 HydrophobicContact CE1-CG1 4.14Å; F234-I360 HydrophobicContact CZ-CG1 4.12Å; L270-I360 HydrophobicContact CD1-CD1 3.4Å; F328-I360 HydrophobicContact CE1-CB 4.04Å; F328-I360 HydrophobicContact CE1-CD1 4.23Å; F328-I360 HydrophobicContact CE1-CG2 3.94Å; F328-I360 HydrophobicContact CZ-CB 4.27Å; A356-I360 WeakPolarHBondContact O-CA 3.2Å; A356-I360 VanDerWaalsContact O-CB 3.23Å; A356-I360 WeakPolarHBondContact O-CB 3.49Å; A356-I360 PolarHBondContact O-N 2.82Å; I360-L383 HydrophobicContact CG2-CD1 4.02Å; I360-L383 WeakPolarHBondContact O-CB 3.18Å; I360-F386 HydrophobicContact CD1-CD2 4.13Å; I360-F386 HydrophobicContact CD1-CE1 4.44Å; I360-F386 HydrophobicContact CD1-CE2 3.84Å; I360-F386 HydrophobicContact CD1-CZ 4.01Å; I360-F386 HydrophobicContact CG2-CB 4.18Å; I360-F386 HydrophobicContact CG2-CD1 3.68Å; I360-F386 HydrophobicContact CG2-CD2 4.43Å; I360-F386 HydrophobicContact CG2-CE1 4.11Å; I360-F386 HydrophobicContact CG2-CG 3.85Å
361L78.2Confident69.8Low22 Ų2264.7 Ų64.712%0.11530%0.299CS..SBendtrans-91.82.8178-52.4179000113.4F328 Q357 Y363 L383F328-L361 HydrophobicContact CE1-CD1 4.49Å; F328-L361 HydrophobicContact CE1-CD2 4.18Å; F328-L361 HydrophobicContact CE1-CG 4.12Å; F328-L361 HydrophobicContact CZ-CD1 4Å; F328-L361 HydrophobicContact CZ-CD2 4.39Å; F328-L361 HydrophobicContact CZ-CG 3.82Å; Q357-L361 HydrophobicContact CB-CD1 4.44Å; Q357-L361 HydrophobicContact CG-CD1 4.12Å; Q357-L361 CarbonylContact O-C 3.53Å; Q357-L361 WeakPolarHBondContact O-CA 3.5Å; Q357-L361 VanDerWaalsContact O-CB 3.26Å; Q357-L361 WeakPolarHBondContact O-CB 3.33Å; Q357-L361 PolarHBondContact O-N 3.16Å; L361-Y363 VanDerWaalsContact C-N 3.29Å; L361-Y363 HydrophobicContact CB-CD1 3.93Å; L361-Y363 HydrophobicContact CB-CE1 3.73Å; L361-Y363 HydrophobicContact CB-CE2 4.48Å; L361-Y363 HydrophobicContact CB-CG 4.41Å; L361-Y363 HydrophobicContact CD1-CE1 4.37Å; L361-Y363 HydrophobicContact CD1-CE2 4.12Å; L361-Y363 WeakPolarHBondContact O-CD1 3.34Å; L361-Y363 PolarHBondContact O-N 2.83Å; L361-L383 HydrophobicContact CD2-CD1 3.91Å; L361-L383 HydrophobicContact CD2-CD2 4.01Å
362S72Confident67.9Low3 Ų368.9 Ų68.92%0.02132%0.315CS..  trans64.824.5176.8-36.50000114.7Q357 R358 H364 T365 S379Q357-S362 PolarHBondContact O-N 2.98Å; R358-S362 CarbonylContact O-C 3.51Å; R358-S362 VanDerWaalsContact O-CA 3.3Å; R358-S362 WeakPolarHBondContact O-CA 3.29Å; R358-S362 PolarHBondContact O-N 2.84Å; S362-H364 PolarHBondContact O-N 2.92Å; S362-T365 PolarHBondContact O-N 2.82Å; S362-T365 PolarHBondContact O-OG1 3.22Å; S362-S379 VanDerWaalsContact CB-CB 3.46Å; S362-S379 WeakPolarHBondContact CB-OG 3.17Å; S362-S379 WeakPolarHBondContact OG-CB 3.36Å; S362-S379 PolarHBondContact OG-O 2.87Å; S362-S379 PolarHBondContact OG-OG 2.82Å
363Y65.2Low66.2Low145 Ų14571.2 Ų71.257%0.56933%0.328SS*.THydrogen-bonded Turntrans-66.5-3-178-68.5-6.3000114.5Q357 R358 L361Q357-Y363 HydrophobicContact CB-CD2 3.71Å; Q357-Y363 HydrophobicContact CB-CE2 4.01Å; Q357-Y363 HydrophobicContact CG-CD2 4.4Å; Q357-Y363 HydrophobicContact CG-CE2 4.22Å; Q357-Y363 PolarHBondContact O-N 3.33Å; R358-Y363 PolarHBondContact O-N 2.71Å; L361-Y363 VanDerWaalsContact C-N 3.29Å; L361-Y363 HydrophobicContact CB-CD1 3.93Å; L361-Y363 HydrophobicContact CB-CE1 3.73Å; L361-Y363 HydrophobicContact CB-CE2 4.48Å; L361-Y363 HydrophobicContact CB-CG 4.41Å; L361-Y363 HydrophobicContact CD1-CE1 4.37Å; L361-Y363 HydrophobicContact CD1-CE2 4.12Å; L361-Y363 WeakPolarHBondContact O-CD1 3.34Å; L361-Y363 PolarHBondContact O-N 2.83Å
364H60Low64.6Low57 Ų5776.4 Ų76.426%0.26435%0.345SS..THydrogen-bonded Turntrans-84.5-19.4170.162.7-77.6000114R358 S362 K366R358-H364 HydrophobicContact CG-CB 3.69Å; R358-H364 PolarHBondContact O-CE1 2.87Å; R358-H364 PolarHBondContact O-ND1 2.95Å; S362-H364 PolarHBondContact O-N 2.92Å; H364-K366 PolarHBondContact O-N 2.86Å
365T56.3Low63.5Low21 Ų2174.3 Ų74.313%0.12934%0.336CS..SBendtrans-85.5113.3179.957.90000108.4S362 Y367 Q375S362-T365 PolarHBondContact O-N 2.82Å; S362-T365 PolarHBondContact O-OG1 3.22Å; T365-Y367 PolarHBondContact O-N 3.46Å; T365-Q375 HydrophobicContact CG2-CG 3.74Å
366K50.1Low62.4Low150 Ų15074.4 Ų74.465%0.65234%0.338SS*.  trans-59.2113.4164-73.1-176.5-176174.30106.8H364 N368H364-K366 PolarHBondContact O-N 2.86Å; K366-N368 VanDerWaalsContact C-N 3.25Å; K366-N368 PolarHBondContact O-N 2.95Å
367Y44.8Very low61.2Low117 Ų11776 Ų7646%0.45935%0.345SS..  trans-71.390.5167.3-80.2-86.6000106.7T365 N369 Y372 S376T365-Y367 PolarHBondContact O-N 3.46Å; Y367-N369 PolarHBondContact O-N 2.71Å; Y367-Y372 HydrophobicContact CD1-CE1 4.49Å; Y367-S376 WeakPolarHBondContact CE1-OG 3.16Å
368N41.4Very low60.7Low97 Ų9774 Ų7452%0.51934%0.336SS..  trans-67.5115.6163.8-78.2-5.5000106.2K366 N370 Y371K366-N368 VanDerWaalsContact C-N 3.25Å; K366-N368 PolarHBondContact O-N 2.95Å; N368-N370 PolarHBondContact O-N 3.18Å; N368-Y371 PolarHBondContact O-N 3.11Å; N368-Y371 VanDerWaalsContact O-N 3.1Å
369N43.7Very low60.2Low149 Ų14972.9 Ų72.980%0.79733%0.331SS*.THydrogen-bonded Turntrans-52.6-15.4-176.5-78.5-24.5000114.2Y367Y367-N369 PolarHBondContact O-N 2.71Å
370N41Very low59.4Low143 Ų14373.1 Ų73.177%0.76533%0.332SS*.THydrogen-bonded Turntrans-110-10.2-176.3-67.2-10.9000115.3N368N368-N370 PolarHBondContact O-N 3.18Å
371Y40.4Very low58.8Low174 Ų17474.3 Ų74.368%0.68234%0.339SS*.  trans-139.5104.2-179.7-76.4-86.6000111.2N368 N373N368-Y371 PolarHBondContact O-N 3.11Å; N368-Y371 VanDerWaalsContact O-N 3.1Å; Y371-N373 PolarHBondContact O-N 3.25Å
372Y51.3Low58.9Low89 Ų8973.3 Ų73.335%0.34933%0.333SS..  trans-75.989168.4-65.1-60.8000109.2Y367 Y427 F430Y367-Y372 HydrophobicContact CD1-CE1 4.49Å; Y372-Y427 AromaticContact CD1-CD2 3.54Å; Y372-Y427 HydrophobicContact CD1-CD2 3.54Å; Y372-Y427 AromaticContact CD1-CE2 3.17Å; Y372-Y427 HydrophobicContact CD1-CE2 3.17Å; Y372-Y427 AromaticContact CE1-CD2 3.52Å; Y372-Y427 HydrophobicContact CE1-CD2 3.52Å; Y372-Y427 AromaticContact CE1-CE2 3.68Å; Y372-Y427 HydrophobicContact CE1-CE2 3.68Å; Y372-Y427 HydrophobicContact CG-CD2 4.08Å; Y372-Y427 AromaticContact CG-CE2 3.64Å; Y372-Y427 HydrophobicContact CG-CE2 3.64Å; Y372-F430 HydrophobicContact CD2-CB 4.35Å; Y372-F430 AromaticContact CD2-CD1 3.75Å; Y372-F430 HydrophobicContact CD2-CD1 3.75Å; Y372-F430 HydrophobicContact CD2-CE1 4.37Å; Y372-F430 HydrophobicContact CD2-CG 4.24Å; Y372-F430 HydrophobicContact CE2-CB 3.97Å; Y372-F430 AromaticContact CE2-CD1 3.52Å; Y372-F430 HydrophobicContact CE2-CD1 3.52Å; Y372-F430 HydrophobicContact CE2-CD2 4.33Å; Y372-F430 HydrophobicContact CE2-CE1 4.02Å; Y372-F430 AromaticContact CE2-CG 3.68Å; Y372-F430 HydrophobicContact CE2-CG 3.68Å
373N56Low59.2Low76 Ų7673.7 Ų73.741%0.40634%0.335SS..  trans-67.7152.5-179.6-74.3-4.2000111.8Y371 Q375 S376 F377Y371-N373 PolarHBondContact O-N 3.25Å; N373-Q375 PolarHBondContact O-N 2.83Å; N373-S376 WeakPolarHBondContact O-CA 3.41Å; N373-S376 VanDerWaalsContact O-CB 3.32Å; N373-S376 WeakPolarHBondContact O-CB 3.44Å; N373-S376 PolarHBondContact O-N 3.39Å; N373-F377 PolarHBondContact O-N 2.64Å
374Y55.3Low59.5Low167 Ų16768.3 Ų68.366%0.65531%0.314SS*.Hα-helixtrans-45.8-36.3174.1174.3-94000113S376 F377 M378Y374-S376 VanDerWaalsContact C-N 3.34Å; Y374-S376 PolarHBondContact O-N 2.84Å; Y374-F377 WeakPolarHBondContact O-CB 3.38Å; Y374-F377 PolarHBondContact O-N 3.37Å; Y374-F377 VanDerWaalsContact O-N 3.16Å; Y374-M378 HydrophobicContact CD1-CG 4.15Å; Y374-M378 HydrophobicContact CD2-CE 4.4Å; Y374-M378 HydrophobicContact CE1-CE 4.16Å; Y374-M378 HydrophobicContact CE1-CG 3.7Å; Y374-M378 HydrophobicContact CE2-CE 3.48Å; Y374-M378 VanDerWaalsContact CE2-CE 3.48Å; Y374-M378 HydrophobicContact CE2-CG 4.47Å; Y374-M378 PolarHBondContact O-N 3.41Å; Y374-M378 WeakPolarHBondContact OH-CE 3.4Å
375Q60.4Low60.3Low51 Ų5167.9 Ų67.924%0.23831%0.312CS..Hα-helixtrans-61.1-38.3177.1-171.454.637.600113.2I241 T365 N373 F377 M378 S379I241-Q375 VanDerWaalsContact CD1-CD 3.47Å; T365-Q375 HydrophobicContact CG2-CG 3.74Å; N373-Q375 PolarHBondContact O-N 2.83Å; Q375-F377 VanDerWaalsContact C-N 3.33Å; Q375-M378 PolarHBondContact O-N 3.04Å; Q375-S379 VanDerWaalsContact O-CB 3.29Å; Q375-S379 WeakPolarHBondContact O-CB 3Å; Q375-S379 PolarHBondContact O-N 3.39Å; Q375-S379 PolarHBondContact O-OG 3.37Å
376S65.4Low61.5Low8 Ų866.9 Ų66.96%0.05631%0.306CS..Hα-helixtrans-68-33.8175.5-175.60000111.7Y367 N373 Y374 S379 F380 Y427Y367-S376 WeakPolarHBondContact CE1-OG 3.16Å; N373-S376 WeakPolarHBondContact O-CA 3.41Å; N373-S376 VanDerWaalsContact O-CB 3.32Å; N373-S376 WeakPolarHBondContact O-CB 3.44Å; N373-S376 PolarHBondContact O-N 3.39Å; Y374-S376 VanDerWaalsContact C-N 3.34Å; Y374-S376 PolarHBondContact O-N 2.84Å; S376-S379 WeakPolarHBondContact CA-OG 3.27Å; S376-S379 PolarHBondContact O-OG 2.82Å; S376-F380 VanDerWaalsContact O-CB 3.29Å; S376-F380 WeakPolarHBondContact O-CB 3.4Å; S376-F380 PolarHBondContact O-N 2.81Å; S376-Y427 WeakPolarHBondContact CB-OH 3.35Å; S376-Y427 PolarHBondContact OG-OH 3.37Å
377F66Low62.5Low34 Ų3460 Ų6015%0.14928%0.276CS..Hα-helixtrans-67.7-44.8174.3177.9-93.3000111.9N373 Y374 Q375 S379 F380 L381 Y427 F436N373-F377 PolarHBondContact O-N 2.64Å; Y374-F377 WeakPolarHBondContact O-CB 3.38Å; Y374-F377 PolarHBondContact O-N 3.37Å; Y374-F377 VanDerWaalsContact O-N 3.16Å; Q375-F377 VanDerWaalsContact C-N 3.33Å; F377-S379 VanDerWaalsContact C-N 3.32Å; F377-S379 PolarHBondContact O-N 2.87Å; F377-F380 WeakPolarHBondContact O-CB 3.41Å; F377-F380 PolarHBondContact O-N 3.27Å; F377-L381 PolarHBondContact O-N 2.79Å; F377-Y427 WeakPolarHBondContact CA-OH 3.41Å; F377-Y427 HydrophobicContact CD2-CE1 4.42Å; F377-Y427 PolarHBondContact N-OH 3.39Å; F377-Y427 VanDerWaalsContact N-OH 3.11Å; F377-F436 HydrophobicContact CE2-CE2 4.42Å; F377-F436 HydrophobicContact CZ-CD2 4.4Å; F377-F436 AromaticContact CZ-CE2 3.73Å; F377-F436 HydrophobicContact CZ-CE2 3.73Å; F377-F436 AromaticContact CZ-CZ 3.99Å; F377-F436 HydrophobicContact CZ-CZ 3.99Å
378M74Confident63.8Low22 Ų2256.8 Ų56.811%0.10827%0.267CS..Hα-helixtrans-65.3-38.9178.3-72.4-5616200112H236 L237 Y374 Q375 F380 L381 T382H236-M378 HydrophobicContact CB-SD 3.84Å; H236-M378 PolarHBondContact CD2-O 2.71Å; H236-M378 VanDerWaalsContact CD2-O 3.31Å; H236-M378 VanDerWaalsContact CD2-SD 3.51Å; H236-M378 PolarHBondContact NE2-O 3.11Å; L237-M378 HydrophobicContact CD2-CB 4.21Å; Y374-M378 HydrophobicContact CD1-CG 4.15Å; Y374-M378 HydrophobicContact CD2-CE 4.4Å; Y374-M378 HydrophobicContact CE1-CE 4.16Å; Y374-M378 HydrophobicContact CE1-CG 3.7Å; Y374-M378 HydrophobicContact CE2-CE 3.48Å; Y374-M378 VanDerWaalsContact CE2-CE 3.48Å; Y374-M378 HydrophobicContact CE2-CG 4.47Å; Y374-M378 PolarHBondContact O-N 3.41Å; Y374-M378 WeakPolarHBondContact OH-CE 3.4Å; Q375-M378 PolarHBondContact O-N 3.04Å; M378-F380 VanDerWaalsContact C-N 3.31Å; M378-F380 PolarHBondContact O-N 3.03Å; M378-L381 PolarHBondContact O-N 3.25Å; M378-L381 HydrophobicContact SD-CD2 4.38Å; M378-T382 PolarHBondContact O-N 3.45Å; M378-T382 PolarHBondContact O-OG1 2.95Å
379S71.9Confident65.4Low0 Ų053 Ų530%025%0.247CC..Hα-helixtrans-69.1-32.6178.479.30000112.2S362 Q375 S376 F377 T382 L383S362-S379 VanDerWaalsContact CB-CB 3.46Å; S362-S379 WeakPolarHBondContact CB-OG 3.17Å; S362-S379 WeakPolarHBondContact OG-CB 3.36Å; S362-S379 PolarHBondContact OG-O 2.87Å; S362-S379 PolarHBondContact OG-OG 2.82Å; Q375-S379 VanDerWaalsContact O-CB 3.29Å; Q375-S379 WeakPolarHBondContact O-CB 3Å; Q375-S379 PolarHBondContact O-N 3.39Å; Q375-S379 PolarHBondContact O-OG 3.37Å; S376-S379 WeakPolarHBondContact CA-OG 3.27Å; S376-S379 PolarHBondContact O-OG 2.82Å; F377-S379 VanDerWaalsContact C-N 3.32Å; F377-S379 PolarHBondContact O-N 2.87Å; S379-T382 WeakPolarHBondContact O-CB 3.44Å; S379-T382 PolarHBondContact O-N 3.37Å; S379-L383 PolarHBondContact O-N 3.08Å
380F70.4Confident66.8Low11 Ų1146 Ų465%0.04821%0.209CC..Hα-helixtrans-65.9-44.3169.5178.6-76.8000112.9S376 F377 M378 T382 L383 Y384 Y424 Y427 L428S376-F380 VanDerWaalsContact O-CB 3.29Å; S376-F380 WeakPolarHBondContact O-CB 3.4Å; S376-F380 PolarHBondContact O-N 2.81Å; F377-F380 WeakPolarHBondContact O-CB 3.41Å; F377-F380 PolarHBondContact O-N 3.27Å; M378-F380 VanDerWaalsContact C-N 3.31Å; M378-F380 PolarHBondContact O-N 3.03Å; F380-T382 PolarHBondContact O-N 2.88Å; F380-L383 PolarHBondContact O-N 3.49Å; F380-Y384 PolarHBondContact O-N 3.47Å; F380-Y424 WeakPolarHBondContact CA-OH 3.28Å; F380-Y424 HydrophobicContact CB-CE1 4.48Å; F380-Y424 AromaticContact CD1-CD1 3.88Å; F380-Y424 HydrophobicContact CD1-CD1 3.88Å; F380-Y424 AromaticContact CD1-CE1 3.4Å; F380-Y424 HydrophobicContact CD1-CE1 3.4Å; F380-Y424 AromaticContact CD2-CD1 3.57Å; F380-Y424 HydrophobicContact CD2-CD1 3.57Å; F380-Y424 AromaticContact CD2-CD2 3.91Å; F380-Y424 HydrophobicContact CD2-CD2 3.91Å; F380-Y424 AromaticContact CD2-CE1 3.22Å; F380-Y424 HydrophobicContact CD2-CE1 3.22Å; F380-Y424 AromaticContact CD2-CE2 3.69Å; F380-Y424 HydrophobicContact CD2-CE2 3.69Å; F380-Y424 AromaticContact CD2-CG 3.8Å; F380-Y424 HydrophobicContact CD2-CG 3.8Å; F380-Y424 AromaticContact CD2-CZ 3.23Å; F380-Y424 AromaticContact CE1-CD1 3.27Å; F380-Y424 HydrophobicContact CE1-CD1 3.27Å; F380-Y424 AromaticContact CE1-CE1 3.31Å; F380-Y424 HydrophobicContact CE1-CE1 3.31Å; F380-Y424 HydrophobicContact CE1-CG 4.17Å; F380-Y424 AromaticContact CE2-CD1 2.97Å; F380-Y424 HydrophobicContact CE2-CD1 2.97Å; F380-Y424 AromaticContact CE2-CD2 3.52Å; F380-Y424 HydrophobicContact CE2-CD2 3.52Å; F380-Y424 AromaticContact CE2-CE1 3.2Å; F380-Y424 HydrophobicContact CE2-CE1 3.2Å; F380-Y424 AromaticContact CE2-CE2 3.8Å; F380-Y424 HydrophobicContact CE2-CE2 3.8Å; F380-Y424 AromaticContact CE2-CG 3.02Å; F380-Y424 HydrophobicContact CE2-CG 3.02Å; F380-Y424 AromaticContact CE2-CZ 3.56Å; F380-Y424 HydrophobicContact CG-CD1 4.03Å; F380-Y424 AromaticContact CG-CE1 3.37Å; F380-Y424 HydrophobicContact CG-CE1 3.37Å; F380-Y424 HydrophobicContact CG-CE2 4.47Å; F380-Y424 AromaticContact CG-CZ 3.59Å; F380-Y424 VanDerWaalsContact CZ-CB 3.43Å; F380-Y424 AromaticContact CZ-CD1 2.81Å; F380-Y424 HydrophobicContact CZ-CD1 2.81Å; F380-Y424 HydrophobicContact CZ-CD2 4.22Å; F380-Y424 AromaticContact CZ-CE1 3.27Å; F380-Y424 HydrophobicContact CZ-CE1 3.27Å; F380-Y424 AromaticContact CZ-CG 3.28Å; F380-Y424 HydrophobicContact CZ-CG 3.28Å; F380-Y424 PolarHBondContact O-OH 2.83Å; F380-Y427 HydrophobicContact CD2-CD1 4.05Å; F380-Y427 HydrophobicContact CD2-CE1 4.36Å; F380-Y427 AromaticContact CE2-CD1 3.85Å; F380-Y427 HydrophobicContact CE2-CD1 3.85Å; F380-Y427 HydrophobicContact CE2-CG 4.34Å; F380-Y427 HydrophobicContact CZ-CD1 4.41Å; F380-L428 HydrophobicContact CE1-CD1 4.38Å; F380-L428 HydrophobicContact CE1-CD2 4.39Å; F380-L428 HydrophobicContact CE1-CG 4.42Å; F380-L428 HydrophobicContact CZ-CD1 3.94Å; F380-L428 HydrophobicContact CZ-CD2 4.23Å; F380-L428 HydrophobicContact CZ-CG 3.84Å
381L71.3Confident68Low25 Ų2539.8 Ų39.813%0.13118%0.176CC..Hα-helixtrans-60.2-36.2176.9-17364.9000111.1H236 F377 M378 Y384 Q385 F436H236-L381 HydrophobicContact CB-CD2 4.19Å; F377-L381 PolarHBondContact O-N 2.79Å; M378-L381 PolarHBondContact O-N 3.25Å; M378-L381 HydrophobicContact SD-CD2 4.38Å; L381-Y384 PolarHBondContact O-N 3.43Å; L381-Q385 WeakPolarHBondContact O-CB 3.29Å; L381-Q385 WeakPolarHBondContact O-CG 3.44Å; L381-Q385 PolarHBondContact O-N 3.33Å; L381-F436 HydrophobicContact CD1-CE1 4.23Å; L381-F436 HydrophobicContact CD1-CZ 4.13Å
382T79.7Confident69.4Low0 Ų035.7 Ų35.70%017%0.165CC..Hα-helixtrans-58.8-53172.5-67.80000111.8Y233 F234 H236 M378 S379 F380 Y384 Q385 F386Y233-T382 WeakPolarHBondContact CB-O 3.46Å; Y233-T382 HydrophobicContact CD2-CG2 4.44Å; Y233-T382 WeakPolarHBondContact O-CA 3.12Å; Y233-T382 VanDerWaalsContact O-CB 3.27Å; Y233-T382 WeakPolarHBondContact O-CB 3.33Å; Y233-T382 VanDerWaalsContact O-CG2 3.23Å; Y233-T382 WeakPolarHBondContact O-CG2 3.33Å; Y233-T382 PolarHBondContact O-OG1 2.94Å; F234-T382 HydrophobicContact CD1-CG2 3.89Å; F234-T382 HydrophobicContact CE1-CG2 3.78Å; H236-T382 PolarHBondContact CE1-OG1 3.29Å; H236-T382 PolarHBondContact NE2-N 3.46Å; H236-T382 PolarHBondContact NE2-OG1 3.37Å; M378-T382 PolarHBondContact O-N 3.45Å; M378-T382 PolarHBondContact O-OG1 2.95Å; S379-T382 WeakPolarHBondContact O-CB 3.44Å; S379-T382 PolarHBondContact O-N 3.37Å; F380-T382 PolarHBondContact O-N 2.88Å; T382-Y384 VanDerWaalsContact C-N 3.34Å; T382-Y384 PolarHBondContact O-N 3.5Å; T382-Q385 PolarHBondContact O-N 3.27Å; T382-F386 VanDerWaalsContact O-CB 3.3Å; T382-F386 WeakPolarHBondContact O-CB 2.99Å; T382-F386 PolarHBondContact O-N 3.05Å
383L79Confident70.2Confident12 Ų1232.1 Ų32.16%0.06315%0.151CC..Hα-helixtrans-63.8-39.5179.9177.654.7000112.1I360 L361 S379 F380 F386 I387 Y424I360-L383 HydrophobicContact CG2-CD1 4.02Å; I360-L383 WeakPolarHBondContact O-CB 3.18Å; L361-L383 HydrophobicContact CD2-CD1 3.91Å; L361-L383 HydrophobicContact CD2-CD2 4.01Å; S379-L383 PolarHBondContact O-N 3.08Å; F380-L383 PolarHBondContact O-N 3.49Å; L383-F386 HydrophobicContact CD1-CD1 4.46Å; L383-F386 WeakPolarHBondContact O-CB 3.44Å; L383-F386 PolarHBondContact O-N 3.49Å; L383-I387 HydrophobicContact CD1-CD1 3.83Å; L383-I387 HydrophobicContact CD1-CG1 4.02Å; L383-I387 HydrophobicContact CG-CD1 3.9Å; L383-I387 WeakPolarHBondContact O-CB 3.46Å; L383-I387 VanDerWaalsContact O-CG1 3.3Å; L383-I387 WeakPolarHBondContact O-CG1 3.31Å; L383-I387 PolarHBondContact O-N 3.28Å; L383-Y424 VanDerWaalsContact CB-OH 3.25Å; L383-Y424 WeakPolarHBondContact CB-OH 3.37Å; L383-Y424 HydrophobicContact CD2-CE2 4.09Å; L383-Y424 VanDerWaalsContact CD2-OH 3.3Å; L383-Y424 WeakPolarHBondContact CD2-OH 3.32Å; L383-Y424 WeakPolarHBondContact CG-OH 2.92Å
384Y72Confident70.8Confident31 Ų3129.1 Ų29.112%0.12214%0.135CC..Hα-helixtrans-60.8-50.4177.3176.4-107.8000112.1F380 L381 T382 F386 I387 N388 L440F380-Y384 PolarHBondContact O-N 3.47Å; L381-Y384 PolarHBondContact O-N 3.43Å; T382-Y384 VanDerWaalsContact C-N 3.34Å; T382-Y384 PolarHBondContact O-N 3.5Å; Y384-F386 VanDerWaalsContact C-N 3.3Å; Y384-F386 PolarHBondContact O-N 2.75Å; Y384-I387 PolarHBondContact O-N 3.07Å; Y384-N388 WeakPolarHBondContact CE1-ND2 3.41Å; Y384-N388 PolarHBondContact O-N 2.75Å; Y384-N388 PolarHBondContact OH-ND2 3.44Å; Y384-L440 HydrophobicContact CD2-CD2 3.8Å; Y384-L440 HydrophobicContact CE1-CD2 4.09Å; Y384-L440 HydrophobicContact CE2-CD2 3.12Å; Y384-L440 HydrophobicContact CE2-CG 4.44Å; Y384-L440 WeakPolarHBondContact OH-CD2 3.46Å
385Q76Confident71.3Confident49 Ų4923.8 Ų23.823%0.22912%0.117CC..Hα-helixtrans-64.3-36.5178.1-71.9-178.91.700112I232 L381 T382 N388 L389I232-Q385 PolarHBondContact O-OE1 3.47Å; L381-Q385 WeakPolarHBondContact O-CB 3.29Å; L381-Q385 WeakPolarHBondContact O-CG 3.44Å; L381-Q385 PolarHBondContact O-N 3.33Å; T382-Q385 PolarHBondContact O-N 3.27Å; Q385-N388 PolarHBondContact O-N 3.4Å; Q385-L389 WeakPolarHBondContact O-CG 3.49Å; Q385-L389 PolarHBondContact O-N 3.28Å
386F80.6Confident71.5Confident0 Ų025.6 Ų25.60%013%0.128CC..Hα-helixtrans-60.4-47.2174.2-177-106.1000111.9Y233 L270 D325 F328 I360 T382 L383 Y384 N388 L389 I390Y233-F386 HydrophobicContact CD1-CB 4.44Å; Y233-F386 HydrophobicContact CD1-CD2 4.29Å; Y233-F386 HydrophobicContact CD2-CD2 4.21Å; Y233-F386 AromaticContact CE1-CD2 3.96Å; Y233-F386 HydrophobicContact CE1-CD2 3.96Å; Y233-F386 AromaticContact CE2-CD2 3.85Å; Y233-F386 HydrophobicContact CE2-CD2 3.85Å; Y233-F386 HydrophobicContact CE2-CE2 4.43Å; Y233-F386 HydrophobicContact CG-CB 4.25Å; Y233-F386 HydrophobicContact CG-CD2 4.4Å; Y233-F386 AromaticContact CZ-CD2 3.71Å; L270-F386 HydrophobicContact CD1-CZ 4.33Å; D325-F386 HydrophobicContact CB-CE2 4.21Å; D325-F386 HydrophobicContact CB-CZ 3.75Å; F328-F386 AromaticContact CD1-CE1 3.81Å; F328-F386 HydrophobicContact CD1-CE1 3.81Å; F328-F386 HydrophobicContact CD1-CZ 4.1Å; F328-F386 HydrophobicContact CE1-CE1 4.23Å; I360-F386 HydrophobicContact CD1-CD2 4.13Å; I360-F386 HydrophobicContact CD1-CE1 4.44Å; I360-F386 HydrophobicContact CD1-CE2 3.84Å; I360-F386 HydrophobicContact CD1-CZ 4.01Å; I360-F386 HydrophobicContact CG2-CB 4.18Å; I360-F386 HydrophobicContact CG2-CD1 3.68Å; I360-F386 HydrophobicContact CG2-CD2 4.43Å; I360-F386 HydrophobicContact CG2-CE1 4.11Å; I360-F386 HydrophobicContact CG2-CG 3.85Å; T382-F386 VanDerWaalsContact O-CB 3.3Å; T382-F386 WeakPolarHBondContact O-CB 2.99Å; T382-F386 PolarHBondContact O-N 3.05Å; L383-F386 HydrophobicContact CD1-CD1 4.46Å; L383-F386 WeakPolarHBondContact O-CB 3.44Å; L383-F386 PolarHBondContact O-N 3.49Å; Y384-F386 VanDerWaalsContact C-N 3.3Å; Y384-F386 PolarHBondContact O-N 2.75Å; F386-N388 PolarHBondContact O-N 2.75Å; F386-L389 PolarHBondContact O-N 3.41Å; F386-I390 HydrophobicContact CD1-CD1 3.71Å; F386-I390 HydrophobicContact CE1-CD1 3.35Å; F386-I390 HydrophobicContact CE1-CG1 4.47Å; F386-I390 HydrophobicContact CE2-CD1 4.48Å; F386-I390 HydrophobicContact CG-CD1 4.44Å; F386-I390 HydrophobicContact CZ-CD1 3.79Å; F386-I390 WeakPolarHBondContact O-CG1 3.18Å; F386-I390 PolarHBondContact O-N 3.3Å; F386-I390 VanDerWaalsContact O-N 3.15Å
387I72.7Confident71.6Confident4 Ų425.5 Ų25.52%0.02113%0.127CC..Hα-helixtrans-61.5-43.5177.4-74.5170.2000111.9L329 L383 Y384 L389 I390 Q391 F413 L417 K420L329-I387 HydrophobicContact CD1-CD1 4.3Å; L329-I387 HydrophobicContact CD1-CG1 3.75Å; L383-I387 HydrophobicContact CD1-CD1 3.83Å; L383-I387 HydrophobicContact CD1-CG1 4.02Å; L383-I387 HydrophobicContact CG-CD1 3.9Å; L383-I387 WeakPolarHBondContact O-CB 3.46Å; L383-I387 VanDerWaalsContact O-CG1 3.3Å; L383-I387 WeakPolarHBondContact O-CG1 3.31Å; L383-I387 PolarHBondContact O-N 3.28Å; Y384-I387 PolarHBondContact O-N 3.07Å; I387-L389 VanDerWaalsContact C-N 3.31Å; I387-L389 PolarHBondContact O-N 3.12Å; I387-I390 WeakPolarHBondContact O-CB 3.47Å; I387-I390 PolarHBondContact O-N 3.02Å; I387-Q391 PolarHBondContact O-N 2.86Å; I387-F413 HydrophobicContact CG2-CZ 4.5Å; I387-L417 HydrophobicContact CD1-CD1 4.45Å; I387-L417 HydrophobicContact CG2-CD1 3.3Å; I387-K420 HydrophobicContact CD1-CD 4.34Å
388N71.2Confident71.6Confident50 Ų5024.3 Ų24.327%0.26712%0.122SC..Hα-helixtrans-61.5-39.9179.8-76.3-12.2000112.3Y384 Q385 F386 Q391 L392Y384-N388 WeakPolarHBondContact CE1-ND2 3.41Å; Y384-N388 PolarHBondContact O-N 2.75Å; Y384-N388 PolarHBondContact OH-ND2 3.44Å; Q385-N388 PolarHBondContact O-N 3.4Å; F386-N388 PolarHBondContact O-N 2.75Å; N388-Q391 WeakPolarHBondContact O-CB 3.15Å; N388-Q391 PolarHBondContact O-N 3.12Å; N388-L392 WeakPolarHBondContact O-CG 3.45Å; N388-L392 PolarHBondContact O-N 2.82Å; N388-L392 VanDerWaalsContact O-N 3.1Å
389L74.1Confident71Confident19 Ų1928.4 Ų28.410%0.09915%0.145CC..Hα-helixtrans-67.7-38.6176.7-70.6176.9000112.1Y233 Q385 F386 I387 Q391 L392 R393Y233-L389 HydrophobicContact CD1-CD1 3.56Å; Y233-L389 HydrophobicContact CE1-CD1 3.62Å; Q385-L389 WeakPolarHBondContact O-CG 3.49Å; Q385-L389 PolarHBondContact O-N 3.28Å; F386-L389 PolarHBondContact O-N 3.41Å; I387-L389 VanDerWaalsContact C-N 3.31Å; I387-L389 PolarHBondContact O-N 3.12Å; L389-Q391 VanDerWaalsContact C-N 3.32Å; L389-Q391 PolarHBondContact O-N 3.08Å; L389-L392 HydrophobicContact CD2-CD1 4.48Å; L389-L392 PolarHBondContact O-N 3.09Å; L389-R393 PolarHBondContact O-N 2.85Å
390I73.2Confident70.6Confident0 Ų033.9 Ų33.90%017%0.166CC..Hα-helixtrans-61.4-42.7172.4-67.6171.4000110.7D325 L326 L329 F386 I387 L392 R393 L394 F413D325-I390 HydrophobicContact CB-CD1 3.9Å; D325-I390 HydrophobicContact CB-CG1 3.93Å; L326-I390 HydrophobicContact CD2-CG2 3.41Å; L326-I390 VanDerWaalsContact CD2-CG2 3.41Å; L326-I390 HydrophobicContact CG-CG2 4.46Å; L329-I390 HydrophobicContact CB-CD1 4.01Å; L329-I390 HydrophobicContact CD1-CD1 4.42Å; L329-I390 HydrophobicContact CD2-CD1 3.91Å; L329-I390 HydrophobicContact CD2-CG2 4.11Å; L329-I390 HydrophobicContact CG-CD1 4.31Å; F386-I390 HydrophobicContact CD1-CD1 3.71Å; F386-I390 HydrophobicContact CE1-CD1 3.35Å; F386-I390 HydrophobicContact CE1-CG1 4.47Å; F386-I390 HydrophobicContact CE2-CD1 4.48Å; F386-I390 HydrophobicContact CG-CD1 4.44Å; F386-I390 HydrophobicContact CZ-CD1 3.79Å; F386-I390 WeakPolarHBondContact O-CG1 3.18Å; F386-I390 PolarHBondContact O-N 3.3Å; F386-I390 VanDerWaalsContact O-N 3.15Å; I387-I390 WeakPolarHBondContact O-CB 3.47Å; I387-I390 PolarHBondContact O-N 3.02Å; I390-L392 VanDerWaalsContact C-N 3.34Å; I390-L392 PolarHBondContact O-N 2.78Å; I390-R393 PolarHBondContact O-N 3.17Å; I390-L394 HydrophobicContact CG2-CD1 4.04Å; I390-L394 HydrophobicContact CG2-CG 4.26Å; I390-L394 WeakPolarHBondContact O-CB 3.18Å; I390-L394 WeakPolarHBondContact O-CG 3.46Å; I390-L394 PolarHBondContact O-N 2.91Å; I390-F413 HydrophobicContact CG2-CE2 3.83Å; I390-F413 HydrophobicContact CG2-CZ 4.48Å
391Q67.8Low70.3Confident14 Ų1433.9 Ų33.97%0.06517%0.166CC..Hα-helixtrans-58.9-45.9178.1-176.9-179.9-800111.4I387 N388 L389 R393 L394 I395 F413 L445I387-Q391 PolarHBondContact O-N 2.86Å; N388-Q391 WeakPolarHBondContact O-CB 3.15Å; N388-Q391 PolarHBondContact O-N 3.12Å; L389-Q391 VanDerWaalsContact C-N 3.32Å; L389-Q391 PolarHBondContact O-N 3.08Å; Q391-R393 VanDerWaalsContact C-N 3.34Å; Q391-R393 PolarHBondContact O-N 2.93Å; Q391-L394 PolarHBondContact O-N 3.35Å; Q391-I395 HydrophobicContact CG-CD1 4.21Å; Q391-I395 VanDerWaalsContact O-CG1 3.31Å; Q391-I395 WeakPolarHBondContact O-CG1 3.43Å; Q391-I395 PolarHBondContact O-N 3.35Å; Q391-F413 HydrophobicContact CB-CE1 4.11Å; Q391-F413 HydrophobicContact CB-CZ 3.92Å; Q391-F413 HydrophobicContact CG-CE1 4.13Å; Q391-F413 HydrophobicContact CG-CZ 4.45Å; Q391-L445 HydrophobicContact CG-CD1 4.09Å
392L68.7Low69.8Low87 Ų8734 Ų3446%0.45517%0.169SC..Hα-helixtrans-60.6-43.8175.7-68.7173.4000111.6N388 L389 I390 L394 I395 N396N388-L392 WeakPolarHBondContact O-CG 3.45Å; N388-L392 PolarHBondContact O-N 2.82Å; N388-L392 VanDerWaalsContact O-N 3.1Å; L389-L392 HydrophobicContact CD2-CD1 4.48Å; L389-L392 PolarHBondContact O-N 3.09Å; I390-L392 VanDerWaalsContact C-N 3.34Å; I390-L392 PolarHBondContact O-N 2.78Å; L392-L394 PolarHBondContact O-N 3.28Å; L392-I395 PolarHBondContact O-N 2.87Å; L392-N396 PolarHBondContact O-N 3.23Å
393R68.8Low68.8Low15 Ų1539.6 Ų39.66%0.05720%0.199CC..Hα-helixtrans-62.2-42.5176-178.5175.7169.7-158.1-13.1112C322 D325 L389 I390 Q391 N396 L397C322-R393 PolarHBondContact O-NH1 3.43Å; D325-R393 IonicContact OD1-CZ 3.43Å; D325-R393 IonicContact OD1-NH1 2.81Å; D325-R393 PolarHBondContact OD1-NH1 2.96Å; D325-R393 IonicContact OD2-NH1 3.14Å; D325-R393 PolarHBondContact OD2-NH1 3.32Å; L389-R393 PolarHBondContact O-N 2.85Å; I390-R393 PolarHBondContact O-N 3.17Å; Q391-R393 VanDerWaalsContact C-N 3.34Å; Q391-R393 PolarHBondContact O-N 2.93Å; R393-N396 PolarHBondContact O-N 3.35Å; R393-L397 HydrophobicContact CG-CD1 4.01Å; R393-L397 HydrophobicContact CG-CG 4.36Å; R393-L397 WeakPolarHBondContact O-CG 3.35Å; R393-L397 PolarHBondContact O-N 3.37Å
394L67.7Low67.9Low13 Ų1344.6 Ų44.67%0.06823%0.225CC..Hα-helixtrans-61.2-46.5176.6-80.7174.6000111.6L326 I390 Q391 L392 N396 L397 M398 L409 F413L326-L394 HydrophobicContact CD1-CD2 3.95Å; L326-L394 HydrophobicContact CD2-CD1 3.85Å; L326-L394 HydrophobicContact CD2-CD2 3.52Å; L326-L394 HydrophobicContact CD2-CG 3.66Å; L326-L394 HydrophobicContact CG-CD2 4.42Å; I390-L394 HydrophobicContact CG2-CD1 4.04Å; I390-L394 HydrophobicContact CG2-CG 4.26Å; I390-L394 WeakPolarHBondContact O-CB 3.18Å; I390-L394 WeakPolarHBondContact O-CG 3.46Å; I390-L394 PolarHBondContact O-N 2.91Å; Q391-L394 PolarHBondContact O-N 3.35Å; L392-L394 PolarHBondContact O-N 3.28Å; L394-N396 PolarHBondContact O-N 3.29Å; L394-L397 PolarHBondContact O-N 2.74Å; L394-L397 VanDerWaalsContact O-N 3.11Å; L394-M398 WeakPolarHBondContact O-CB 3.01Å; L394-M398 WeakPolarHBondContact O-CG 3.25Å; L394-M398 PolarHBondContact O-N 3.15Å; L394-L409 HydrophobicContact CD2-CD2 3.58Å; L394-F413 HydrophobicContact CD1-CB 4.28Å; L394-F413 HydrophobicContact CD1-CD1 4.17Å; L394-F413 HydrophobicContact CD1-CD2 3.23Å; L394-F413 HydrophobicContact CD1-CE1 4.33Å; L394-F413 HydrophobicContact CD1-CE2 3.43Å; L394-F413 VanDerWaalsContact CD1-CE2 3.43Å; L394-F413 HydrophobicContact CD1-CG 3.62Å; L394-F413 HydrophobicContact CD1-CZ 3.99Å
395I65.6Low67.2Low55 Ų5546.4 Ų46.428%0.28224%0.237SC..Hα-helixtrans-54.3-43.4176.7-68.5163.7000110.5Q391 L392 L445Q391-I395 HydrophobicContact CG-CD1 4.21Å; Q391-I395 VanDerWaalsContact O-CG1 3.31Å; Q391-I395 WeakPolarHBondContact O-CG1 3.43Å; Q391-I395 PolarHBondContact O-N 3.35Å; L392-I395 PolarHBondContact O-N 2.87Å; I395-L445 HydrophobicContact CD1-CD2 4.19Å; I395-L445 HydrophobicContact CG1-CD2 4.22Å
396N66.1Low66.5Low88 Ų8846.1 Ų46.147%0.47124%0.235SC..Hα-helixtrans-67.6-42.1177.4-69.1-12.7000112.8L392 R393 L394 M398 Y400L392-N396 PolarHBondContact O-N 3.23Å; R393-N396 PolarHBondContact O-N 3.35Å; L394-N396 PolarHBondContact O-N 3.29Å; N396-M398 VanDerWaalsContact C-N 3.33Å; N396-M398 PolarHBondContact O-N 3.45Å; N396-Y400 WeakPolarHBondContact O-CD2 3.48Å
397L66.3Low65.3Low7 Ų749.7 Ų49.74%0.03725%0.253CS..Hα-helixtrans-67.4-32.9178.7-73.7173.8000112.7L304 L326 F337 R393 L394 N399 Y400 I401L304-L397 HydrophobicContact CB-CD2 4.38Å; L304-L397 HydrophobicContact CD1-CD2 3.93Å; L304-L397 HydrophobicContact CD2-CD2 4.25Å; L304-L397 HydrophobicContact CG-CD2 4.43Å; L326-L397 HydrophobicContact CD1-CD1 4.2Å; F337-L397 HydrophobicContact CE2-CD1 4.42Å; F337-L397 HydrophobicContact CZ-CD1 4.21Å; R393-L397 HydrophobicContact CG-CD1 4.01Å; R393-L397 HydrophobicContact CG-CG 4.36Å; R393-L397 WeakPolarHBondContact O-CG 3.35Å; R393-L397 PolarHBondContact O-N 3.37Å; L394-L397 PolarHBondContact O-N 2.74Å; L394-L397 VanDerWaalsContact O-N 3.11Å; L397-N399 PolarHBondContact O-N 3.34Å; L397-Y400 PolarHBondContact O-N 2.82Å; L397-I401 HydrophobicContact CB-CD1 4.17Å; L397-I401 WeakPolarHBondContact O-CG1 3.33Å; L397-I401 PolarHBondContact O-N 2.88Å
398M65.7Low64.5Low9 Ų953.8 Ų53.84%0.04428%0.275CS..THydrogen-bonded Turntrans-61-18-177.8-74.6-73-7500113.2L394 N396 Y400 K406 L410 F448L394-M398 WeakPolarHBondContact O-CB 3.01Å; L394-M398 WeakPolarHBondContact O-CG 3.25Å; L394-M398 PolarHBondContact O-N 3.15Å; N396-M398 VanDerWaalsContact C-N 3.33Å; N396-M398 PolarHBondContact O-N 3.45Å; M398-Y400 VanDerWaalsContact C-N 3.29Å; M398-K406 HydrophobicContact CE-CB 3.4Å; M398-K406 HydrophobicContact CE-CD 4.03Å; M398-K406 HydrophobicContact CE-CG 3.64Å; M398-K406 WeakPolarHBondContact O-CE 3.33Å; M398-K406 PolarHBondContact O-NZ 3.34Å; M398-K406 HydrophobicContact SD-CB 4.09Å; M398-K406 HydrophobicContact SD-CG 3.93Å; M398-L410 HydrophobicContact CE-CB 4.4Å; M398-F448 HydrophobicContact CB-CZ 4.43Å
399N62.3Low63.9Low108 Ų10853.4 Ų53.458%0.57827%0.273SS*.THydrogen-bonded Turntrans-72.1-24.2172.7-69.2-19.2000113.1L397L397-N399 PolarHBondContact O-N 3.34Å
400Y64.3Low63.3Low115 Ų11554.1 Ų54.145%0.45128%0.277SS..THydrogen-bonded Turntrans-107.1-13.9-173.8-60.6-93.6000113.5L304 P305 N396 L397 M398L304-Y400 HydrophobicContact CD2-CG 4.06Å; P305-Y400 HydrophobicContact CG-CD2 3.82Å; P305-Y400 HydrophobicContact CG-CE1 4.22Å; P305-Y400 HydrophobicContact CG-CE2 3.26Å; P305-Y400 VanDerWaalsContact CG-CZ 3.49Å; N396-Y400 WeakPolarHBondContact O-CD2 3.48Å; L397-Y400 PolarHBondContact O-N 2.82Å; M398-Y400 VanDerWaalsContact C-N 3.29Å
401I63.9Low62.7Low10 Ų1058 Ų585%0.05130%0.298CS..SBendtrans-82.1138.9179.6-66.1171.7000110.2L397 L405 K406 L409L397-I401 HydrophobicContact CB-CD1 4.17Å; L397-I401 WeakPolarHBondContact O-CG1 3.33Å; L397-I401 PolarHBondContact O-N 2.88Å; I401-L405 HydrophobicContact CG2-CB 3.62Å; I401-L405 HydrophobicContact CG2-CD1 4.42Å; I401-K406 HydrophobicContact CB-CG 4.46Å; I401-K406 HydrophobicContact CG2-CG 4.3Å; I401-K406 WeakPolarHBondContact O-CE 3.46Å; I401-L409 HydrophobicContact CD1-CD1 4.12Å
402P60Low62.2Low28 Ų2860.4 Ų60.418%0.18232%0.315CS..  trans-55.3140.8172.4-28.836.6000114.1Y302 N404 L405 K406Y302-P402 HydrophobicContact CE2-CG 4.18Å; P402-N404 VanDerWaalsContact C-N 3.27Å; P402-N404 VanDerWaalsContact CB-OD1 3.24Å; P402-N404 WeakPolarHBondContact CB-OD1 3.45Å; P402-N404 PolarHBondContact O-N 2.98Å; P402-N404 VanDerWaalsContact O-N 3.14Å; P402-L405 PolarHBondContact O-N 3.04Å; P402-K406 PolarHBondContact O-N 3.25Å
403N59.3Low61.9Low118 Ų11856.4 Ų56.463%0.63129%0.294SS*.Hα-helixtrans-55.6-34.3-173.5-79.3-10.8000114.7L405 K406N403-L405 VanDerWaalsContact C-N 3.29Å; N403-L405 PolarHBondContact O-N 3.4Å; N403-K406 WeakPolarHBondContact O-CB 3.36Å; N403-K406 PolarHBondContact O-N 2.85Å; N403-K406 WeakPolarHBondContact OD1-CD 3.4Å; N403-K406 WeakPolarHBondContact OD1-CE 3.34Å; N403-K406 PolarHBondContact OD1-NZ 2.89Å
404N58.7Low61.6Low117 Ų11757.6 Ų57.663%0.62630%0.302SS*.Hα-helixtrans-64.1-32.5177.262-26.4000112.8P402P402-N404 VanDerWaalsContact C-N 3.27Å; P402-N404 VanDerWaalsContact CB-OD1 3.24Å; P402-N404 WeakPolarHBondContact CB-OD1 3.45Å; P402-N404 PolarHBondContact O-N 2.98Å; P402-N404 VanDerWaalsContact O-N 3.14Å
405L58.6Low61.3Low68 Ų6862.2 Ų62.236%0.35633%0.327SS..Hα-helixtrans-83.1-30177.3-66.1175.6000112I401 P402 N403 I407 N408 L409I401-L405 HydrophobicContact CG2-CB 3.62Å; I401-L405 HydrophobicContact CG2-CD1 4.42Å; P402-L405 PolarHBondContact O-N 3.04Å; N403-L405 VanDerWaalsContact C-N 3.29Å; N403-L405 PolarHBondContact O-N 3.4Å; L405-I407 PolarHBondContact O-N 3.49Å; L405-N408 PolarHBondContact O-N 3.43Å; L405-L409 VanDerWaalsContact O-CB 3.32Å; L405-L409 WeakPolarHBondContact O-CB 3.38Å; L405-L409 PolarHBondContact O-N 3.42Å
406K60.5Low60.8Low43 Ų4361 Ų6119%0.18732%0.321CS..Hα-helixtrans-51.7-49.9-179.6-72.1-170.1-162.5-166.90112.7M398 I401 P402 N403 L409 L410M398-K406 HydrophobicContact CE-CB 3.4Å; M398-K406 HydrophobicContact CE-CD 4.03Å; M398-K406 HydrophobicContact CE-CG 3.64Å; M398-K406 WeakPolarHBondContact O-CE 3.33Å; M398-K406 PolarHBondContact O-NZ 3.34Å; M398-K406 HydrophobicContact SD-CB 4.09Å; M398-K406 HydrophobicContact SD-CG 3.93Å; I401-K406 HydrophobicContact CB-CG 4.46Å; I401-K406 HydrophobicContact CG2-CG 4.3Å; I401-K406 WeakPolarHBondContact O-CE 3.46Å; P402-K406 PolarHBondContact O-N 3.25Å; N403-K406 WeakPolarHBondContact O-CB 3.36Å; N403-K406 PolarHBondContact O-N 2.85Å; N403-K406 WeakPolarHBondContact OD1-CD 3.4Å; N403-K406 WeakPolarHBondContact OD1-CE 3.34Å; N403-K406 PolarHBondContact OD1-NZ 2.89Å; K406-L409 PolarHBondContact O-N 3.18Å; K406-L410 VanDerWaalsContact O-CB 3.28Å; K406-L410 WeakPolarHBondContact O-CB 3.46Å; K406-L410 PolarHBondContact O-N 2.88Å
407I55.5Low60.6Low76 Ų7657.6 Ų57.639%0.3930%0.302SS..Hα-helixtrans-65.9-47.4-175-62.5174.2000110.9L405 L409 L410 N411L405-I407 PolarHBondContact O-N 3.49Å; I407-L409 VanDerWaalsContact C-N 3.32Å; I407-L409 PolarHBondContact O-N 3.29Å; I407-L410 PolarHBondContact O-N 2.94Å; I407-N411 WeakPolarHBondContact O-CB 3.33Å; I407-N411 VanDerWaalsContact O-CG 3.26Å; I407-N411 PolarHBondContact O-N 3.34Å
408N55.8Low60.2Low89 Ų8961.2 Ų61.248%0.47632%0.322SS..Hα-helixtrans-62.6-40.6-179.7-71-14.6000111.9L405 S412L405-N408 PolarHBondContact O-N 3.43Å; N408-S412 VanDerWaalsContact O-CB 3.3Å; N408-S412 WeakPolarHBondContact O-CB 3.44Å; N408-S412 PolarHBondContact O-N 3.44Å; N408-S412 PolarHBondContact O-OG 3Å
409L59Low60.1Low42 Ų4266.8 Ų66.822%0.2235%0.348CS..Hα-helixtrans-69.7-43.2-179.5-145.1155.5000110.9F330 L394 I401 L405 K406 I407 S412 F413F330-L409 HydrophobicContact CE2-CD2 4.46Å; L394-L409 HydrophobicContact CD2-CD2 3.58Å; I401-L409 HydrophobicContact CD1-CD1 4.12Å; L405-L409 VanDerWaalsContact O-CB 3.32Å; L405-L409 WeakPolarHBondContact O-CB 3.38Å; L405-L409 PolarHBondContact O-N 3.42Å; K406-L409 PolarHBondContact O-N 3.18Å; I407-L409 VanDerWaalsContact C-N 3.32Å; I407-L409 PolarHBondContact O-N 3.29Å; L409-S412 PolarHBondContact O-N 3.39Å; L409-F413 WeakPolarHBondContact O-CB 3.36Å; L409-F413 PolarHBondContact O-N 2.82Å
410L61.9Low59.9Low35 Ų3563.1 Ų63.118%0.18333%0.327CS..Hα-helixtrans-66-43.1176.8-172.164.9000112.3M398 K406 I407 F413 N414 L445M398-L410 HydrophobicContact CE-CB 4.4Å; K406-L410 VanDerWaalsContact O-CB 3.28Å; K406-L410 WeakPolarHBondContact O-CB 3.46Å; K406-L410 PolarHBondContact O-N 2.88Å; I407-L410 PolarHBondContact O-N 2.94Å; L410-F413 PolarHBondContact O-N 3.45Å; L410-N414 WeakPolarHBondContact O-CB 3.41Å; L410-N414 VanDerWaalsContact O-CG 3.25Å; L410-N414 PolarHBondContact O-N 3.32Å; L410-N414 PolarHBondContact O-ND2 2.9Å; L410-L445 HydrophobicContact CD1-CD1 4.28Å
411N59.5Low59.5Low82 Ų8258.7 Ų58.744%0.43931%0.311SS..Hα-helixtrans-63.7-44.3176.4-73.4-12.2000111.3I407 F413 N414 N415I407-N411 WeakPolarHBondContact O-CB 3.33Å; I407-N411 VanDerWaalsContact O-CG 3.26Å; I407-N411 PolarHBondContact O-N 3.34Å; N411-F413 PolarHBondContact O-N 3.12Å; N411-N414 PolarHBondContact O-N 3.19Å; N411-N415 WeakPolarHBondContact O-CB 3.44Å; N411-N415 PolarHBondContact O-N 2.96Å; N411-N415 PolarHBondContact O-ND2 2.98Å
412S58.1Low59.1Low63 Ų6362.7 Ų62.744%0.44133%0.332SS..Hα-helixtrans-62.6-42.3176.4-58.10000111.6N408 L409 L416N408-S412 VanDerWaalsContact O-CB 3.3Å; N408-S412 WeakPolarHBondContact O-CB 3.44Å; N408-S412 PolarHBondContact O-N 3.44Å; N408-S412 PolarHBondContact O-OG 3Å; L409-S412 PolarHBondContact O-N 3.39Å; S412-L416 WeakPolarHBondContact O-CB 3.45Å; S412-L416 PolarHBondContact O-N 3.34Å
413F62.1Low58.8Low3 Ų366 Ų661%0.01335%0.348CS..Hα-helixtrans-60.2-51.6174.5-169.6-103.5000111.9L329 F330 I387 I390 Q391 L394 L409 L410 N411 N415 L416 L417L329-F413 HydrophobicContact CD2-CD2 4.06Å; L329-F413 HydrophobicContact CD2-CE2 3.51Å; F330-F413 VanDerWaalsContact CE1-CA 3.48Å; F330-F413 HydrophobicContact CE1-CB 4.12Å; F330-F413 HydrophobicContact CE1-CD2 4.14Å; F330-F413 HydrophobicContact CE2-CD2 4.39Å; F330-F413 HydrophobicContact CZ-CB 3.74Å; F330-F413 AromaticContact CZ-CD2 3.58Å; F330-F413 HydrophobicContact CZ-CD2 3.58Å; F330-F413 HydrophobicContact CZ-CG 4.15Å; I387-F413 HydrophobicContact CG2-CZ 4.5Å; I390-F413 HydrophobicContact CG2-CE2 3.83Å; I390-F413 HydrophobicContact CG2-CZ 4.48Å; Q391-F413 HydrophobicContact CB-CE1 4.11Å; Q391-F413 HydrophobicContact CB-CZ 3.92Å; Q391-F413 HydrophobicContact CG-CE1 4.13Å; Q391-F413 HydrophobicContact CG-CZ 4.45Å; L394-F413 HydrophobicContact CD1-CB 4.28Å; L394-F413 HydrophobicContact CD1-CD1 4.17Å; L394-F413 HydrophobicContact CD1-CD2 3.23Å; L394-F413 HydrophobicContact CD1-CE1 4.33Å; L394-F413 HydrophobicContact CD1-CE2 3.43Å; L394-F413 VanDerWaalsContact CD1-CE2 3.43Å; L394-F413 HydrophobicContact CD1-CG 3.62Å; L394-F413 HydrophobicContact CD1-CZ 3.99Å; L409-F413 WeakPolarHBondContact O-CB 3.36Å; L409-F413 PolarHBondContact O-N 2.82Å; L410-F413 PolarHBondContact O-N 3.45Å; N411-F413 PolarHBondContact O-N 3.12Å; F413-N415 PolarHBondContact O-N 3.29Å; F413-L416 PolarHBondContact O-N 3.31Å; F413-L417 HydrophobicContact CE1-CD2 4.13Å; F413-L417 WeakPolarHBondContact O-CB 3.24Å; F413-L417 PolarHBondContact O-N 2.81Å
414N63Low58.5Low40 Ų4061.6 Ų61.621%0.21432%0.323CS..Hα-helixtrans-63.3-41.3-178.8-72.5-27.4000111.9L410 N411 L417 N418L410-N414 WeakPolarHBondContact O-CB 3.41Å; L410-N414 VanDerWaalsContact O-CG 3.25Å; L410-N414 PolarHBondContact O-N 3.32Å; L410-N414 PolarHBondContact O-ND2 2.9Å; N411-N414 PolarHBondContact O-N 3.19Å; N414-L417 PolarHBondContact O-N 2.88Å; N414-N418 VanDerWaalsContact O-CB 3.28Å; N414-N418 WeakPolarHBondContact O-CB 3.41Å; N414-N418 PolarHBondContact O-N 2.96Å; N414-N418 PolarHBondContact O-ND2 3.08Å; N414-N418 VanDerWaalsContact O-ND2 3.15Å
415N60.4Low57.9Low111 Ų11160.9 Ų60.959%0.59432%0.316SS*.Hα-helixtrans-61.9-47.5177.3-73.8-11.8000111.5N411 F413 N418 E419N411-N415 WeakPolarHBondContact O-CB 3.44Å; N411-N415 PolarHBondContact O-N 2.96Å; N411-N415 PolarHBondContact O-ND2 2.98Å; F413-N415 PolarHBondContact O-N 3.29Å; N415-N418 PolarHBondContact O-N 2.56Å; N415-E419 PolarHBondContact O-N 3.06Å
416L56.9Low57.5Low29 Ų2964.9 Ų64.915%0.15233%0.33CS..Hα-helixtrans-69.4-37.5179.9-173.8122.5000112.3L329 F330 S412 F413 E419 K420L329-L416 HydrophobicContact CD1-CD2 4.05Å; L329-L416 HydrophobicContact CD2-CD2 4.03Å; L329-L416 HydrophobicContact CG-CD2 3.54Å; L329-L416 WeakPolarHBondContact O-CD1 3.28Å; L329-L416 VanDerWaalsContact O-CD2 3.3Å; L329-L416 WeakPolarHBondContact O-CD2 3.42Å; F330-L416 HydrophobicContact CD1-CB 4.46Å; F330-L416 HydrophobicContact CD1-CD1 4.28Å; F330-L416 HydrophobicContact CD1-CD2 4.31Å; F330-L416 HydrophobicContact CE1-CB 4.43Å; S412-L416 WeakPolarHBondContact O-CB 3.45Å; S412-L416 PolarHBondContact O-N 3.34Å; F413-L416 PolarHBondContact O-N 3.31Å; L416-E419 PolarHBondContact O-N 2.82Å; L416-K420 HydrophobicContact CD2-CD 4.13Å; L416-K420 WeakPolarHBondContact O-CB 3.32Å; L416-K420 WeakPolarHBondContact O-CG 3.44Å; L416-K420 PolarHBondContact O-N 2.98Å
417L60.7Low56.9Low17 Ų1763.4 Ų63.49%0.08932%0.324CS..Hα-helixtrans-60.7-47172.7-176.765.3000110.3I387 F413 N414 K420 L421I387-L417 HydrophobicContact CD1-CD1 4.45Å; I387-L417 HydrophobicContact CG2-CD1 3.3Å; F413-L417 HydrophobicContact CE1-CD2 4.13Å; F413-L417 WeakPolarHBondContact O-CB 3.24Å; F413-L417 PolarHBondContact O-N 2.81Å; N414-L417 PolarHBondContact O-N 2.88Å; L417-K420 PolarHBondContact O-N 3.5Å; L417-L421 HydrophobicContact CD1-CD1 3.72Å; L417-L421 HydrophobicContact CD1-CG 4Å; L417-L421 HydrophobicContact CD2-CD1 4.32Å; L417-L421 HydrophobicContact CG-CD1 3.67Å; L417-L421 HydrophobicContact CG-CG 4.26Å; L417-L421 WeakPolarHBondContact O-CB 3.5Å; L417-L421 VanDerWaalsContact O-CG 3.24Å; L417-L421 WeakPolarHBondContact O-CG 3.36Å; L417-L421 PolarHBondContact O-N 2.76Å
418N59Low56.3Low82 Ų8261.2 Ų61.244%0.43931%0.313SS..Hα-helixtrans-62.9-43176.9-71.4-23.6000111.7N414 N415 L421 N422N414-N418 VanDerWaalsContact O-CB 3.28Å; N414-N418 WeakPolarHBondContact O-CB 3.41Å; N414-N418 PolarHBondContact O-N 2.96Å; N414-N418 PolarHBondContact O-ND2 3.08Å; N414-N418 VanDerWaalsContact O-ND2 3.15Å; N415-N418 PolarHBondContact O-N 2.56Å; N418-L421 PolarHBondContact O-N 2.91Å; N418-N422 WeakPolarHBondContact O-CB 3.48Å; N418-N422 PolarHBondContact O-N 2.84Å; N418-N422 PolarHBondContact O-ND2 3.28Å
419E62.5Low55.8Low126 Ų12664.5 Ų64.559%0.58932%0.323SS*.Hα-helixtrans-60.2-49.3177-168.9-166.4156.600111.3N415 L416 N423N415-E419 PolarHBondContact O-N 3.06Å; L416-E419 PolarHBondContact O-N 2.82Å; E419-N423 PolarHBondContact O-N 2.77Å; E419-N423 PolarHBondContact O-ND2 3.42Å
420K58.4Low55Low32 Ų3269.6 Ų69.614%0.13934%0.343CS..Hα-helixtrans-65.9-45.3178.5-70.9-175.4-178.8178.10111.3L329 I387 L416 L417 N423 Y424L329-K420 HydrophobicContact CD1-CD 4.33Å; L329-K420 PolarHBondContact O-NZ 2.91Å; L329-K420 VanDerWaalsContact O-NZ 3.11Å; I387-K420 HydrophobicContact CD1-CD 4.34Å; L416-K420 HydrophobicContact CD2-CD 4.13Å; L416-K420 WeakPolarHBondContact O-CB 3.32Å; L416-K420 WeakPolarHBondContact O-CG 3.44Å; L416-K420 PolarHBondContact O-N 2.98Å; L417-K420 PolarHBondContact O-N 3.5Å; K420-N423 WeakPolarHBondContact O-CB 3.42Å; K420-N423 PolarHBondContact O-N 3.24Å; K420-Y424 WeakPolarHBondContact O-CD2 3.5Å; K420-Y424 PolarHBondContact O-N 3Å
421L56.4Low53.9Low22 Ų2270.3 Ų70.312%0.11535%0.347CS..Hα-helixtrans-72.5-28-179.3-70.4177.9000114.1L417 N418 N423 Y424 E425 L442L417-L421 HydrophobicContact CD1-CD1 3.72Å; L417-L421 HydrophobicContact CD1-CG 4Å; L417-L421 HydrophobicContact CD2-CD1 4.32Å; L417-L421 HydrophobicContact CG-CD1 3.67Å; L417-L421 HydrophobicContact CG-CG 4.26Å; L417-L421 WeakPolarHBondContact O-CB 3.5Å; L417-L421 VanDerWaalsContact O-CG 3.24Å; L417-L421 WeakPolarHBondContact O-CG 3.36Å; L417-L421 PolarHBondContact O-N 2.76Å; N418-L421 PolarHBondContact O-N 2.91Å; L421-N423 VanDerWaalsContact C-N 3.3Å; L421-N423 PolarHBondContact O-N 3.27Å; L421-Y424 HydrophobicContact CD2-CD1 3.93Å; L421-Y424 HydrophobicContact CD2-CG 4.22Å; L421-Y424 CarbonylContact O-C 3.54Å; L421-Y424 VanDerWaalsContact O-CA 3.29Å; L421-Y424 WeakPolarHBondContact O-CA 3.4Å; L421-Y424 WeakPolarHBondContact O-CB 3.32Å; L421-Y424 PolarHBondContact O-N 3.38Å; L421-E425 PolarHBondContact O-N 3.26Å; L421-L442 HydrophobicContact CD1-CD2 3.47Å; L421-L442 VanDerWaalsContact CD1-CD2 3.47Å
422N55Low53Low93 Ų9375.4 Ų75.450%0.49737%0.365SS..Hα-helixtrans-67-36.1174.2-77.2-20.6000111.2N418 Y424N418-N422 WeakPolarHBondContact O-CB 3.48Å; N418-N422 PolarHBondContact O-N 2.84Å; N418-N422 PolarHBondContact O-ND2 3.28Å; N422-Y424 PolarHBondContact O-N 2.74Å
423N53.5Low51.9Low98 Ų9878 Ų7852%0.52437%0.368SS..Hα-helixtrans-63.6-29.7168.4-67-26.3000111E419 K420 L421E419-N423 PolarHBondContact O-N 2.77Å; E419-N423 PolarHBondContact O-ND2 3.42Å; K420-N423 WeakPolarHBondContact O-CB 3.42Å; K420-N423 PolarHBondContact O-N 3.24Å; L421-N423 VanDerWaalsContact C-N 3.3Å; L421-N423 PolarHBondContact O-N 3.27Å
424Y52.8Low50.4Low26 Ų2686.4 Ų86.410%0.10241%0.405CS..Hα-helixtrans-73.9-42178.1-76.8-142000113.7F380 L383 K420 L421 N422 K426 Y427 L428F380-Y424 WeakPolarHBondContact CA-OH 3.28Å; F380-Y424 HydrophobicContact CB-CE1 4.48Å; F380-Y424 AromaticContact CD1-CD1 3.88Å; F380-Y424 HydrophobicContact CD1-CD1 3.88Å; F380-Y424 AromaticContact CD1-CE1 3.4Å; F380-Y424 HydrophobicContact CD1-CE1 3.4Å; F380-Y424 AromaticContact CD2-CD1 3.57Å; F380-Y424 HydrophobicContact CD2-CD1 3.57Å; F380-Y424 AromaticContact CD2-CD2 3.91Å; F380-Y424 HydrophobicContact CD2-CD2 3.91Å; F380-Y424 AromaticContact CD2-CE1 3.22Å; F380-Y424 HydrophobicContact CD2-CE1 3.22Å; F380-Y424 AromaticContact CD2-CE2 3.69Å; F380-Y424 HydrophobicContact CD2-CE2 3.69Å; F380-Y424 AromaticContact CD2-CG 3.8Å; F380-Y424 HydrophobicContact CD2-CG 3.8Å; F380-Y424 AromaticContact CD2-CZ 3.23Å; F380-Y424 AromaticContact CE1-CD1 3.27Å; F380-Y424 HydrophobicContact CE1-CD1 3.27Å; F380-Y424 AromaticContact CE1-CE1 3.31Å; F380-Y424 HydrophobicContact CE1-CE1 3.31Å; F380-Y424 HydrophobicContact CE1-CG 4.17Å; F380-Y424 AromaticContact CE2-CD1 2.97Å; F380-Y424 HydrophobicContact CE2-CD1 2.97Å; F380-Y424 AromaticContact CE2-CD2 3.52Å; F380-Y424 HydrophobicContact CE2-CD2 3.52Å; F380-Y424 AromaticContact CE2-CE1 3.2Å; F380-Y424 HydrophobicContact CE2-CE1 3.2Å; F380-Y424 AromaticContact CE2-CE2 3.8Å; F380-Y424 HydrophobicContact CE2-CE2 3.8Å; F380-Y424 AromaticContact CE2-CG 3.02Å; F380-Y424 HydrophobicContact CE2-CG 3.02Å; F380-Y424 AromaticContact CE2-CZ 3.56Å; F380-Y424 HydrophobicContact CG-CD1 4.03Å; F380-Y424 AromaticContact CG-CE1 3.37Å; F380-Y424 HydrophobicContact CG-CE1 3.37Å; F380-Y424 HydrophobicContact CG-CE2 4.47Å; F380-Y424 AromaticContact CG-CZ 3.59Å; F380-Y424 VanDerWaalsContact CZ-CB 3.43Å; F380-Y424 AromaticContact CZ-CD1 2.81Å; F380-Y424 HydrophobicContact CZ-CD1 2.81Å; F380-Y424 HydrophobicContact CZ-CD2 4.22Å; F380-Y424 AromaticContact CZ-CE1 3.27Å; F380-Y424 HydrophobicContact CZ-CE1 3.27Å; F380-Y424 AromaticContact CZ-CG 3.28Å; F380-Y424 HydrophobicContact CZ-CG 3.28Å; F380-Y424 PolarHBondContact O-OH 2.83Å; L383-Y424 VanDerWaalsContact CB-OH 3.25Å; L383-Y424 WeakPolarHBondContact CB-OH 3.37Å; L383-Y424 HydrophobicContact CD2-CE2 4.09Å; L383-Y424 VanDerWaalsContact CD2-OH 3.3Å; L383-Y424 WeakPolarHBondContact CD2-OH 3.32Å; L383-Y424 WeakPolarHBondContact CG-OH 2.92Å; K420-Y424 WeakPolarHBondContact O-CD2 3.5Å; K420-Y424 PolarHBondContact O-N 3Å; L421-Y424 HydrophobicContact CD2-CD1 3.93Å; L421-Y424 HydrophobicContact CD2-CG 4.22Å; L421-Y424 CarbonylContact O-C 3.54Å; L421-Y424 VanDerWaalsContact O-CA 3.29Å; L421-Y424 WeakPolarHBondContact O-CA 3.4Å; L421-Y424 WeakPolarHBondContact O-CB 3.32Å; L421-Y424 PolarHBondContact O-N 3.38Å; N422-Y424 PolarHBondContact O-N 2.74Å; Y424-K426 VanDerWaalsContact C-N 3.26Å; Y424-K426 PolarHBondContact O-N 2.87Å; Y424-Y427 WeakPolarHBondContact O-CB 3.18Å; Y424-Y427 PolarHBondContact O-N 3.49Å; Y424-Y427 VanDerWaalsContact O-N 3.11Å; Y424-L428 PolarHBondContact O-N 3.25Å
425E46.3Very low49Very low102 Ų10290.6 Ų90.648%0.47743%0.427SS..Hα-helixtrans-61.6-35.6177.6-77.3-157.5159.700112.3L421 Y427 K429L421-E425 PolarHBondContact O-N 3.26Å; E425-Y427 VanDerWaalsContact C-N 3.31Å; E425-Y427 PolarHBondContact O-N 3.5Å; E425-K429 WeakPolarHBondContact O-CB 3.18Å; E425-K429 WeakPolarHBondContact O-CG 3.36Å; E425-K429 PolarHBondContact O-N 3.26Å; E425-K429 VanDerWaalsContact O-N 3.09Å
426K51.4Low47.6Very low152 Ų15287.8 Ų87.866%0.66141%0.41SS*.Hα-helixtrans-60.1-42.2173.8-71.9-179.8-179.81760111.3Y424Y424-K426 VanDerWaalsContact C-N 3.26Å; Y424-K426 PolarHBondContact O-N 2.87Å
427Y47Very low46.3Very low11 Ų1194.1 Ų94.14%0.04344%0.436CS..Hα-helixtrans-69.9-48.1178.5-176.2-94.3000112.8Y372 S376 F377 F380 Y424 E425 K429 F430 I431Y372-Y427 AromaticContact CD1-CD2 3.54Å; Y372-Y427 HydrophobicContact CD1-CD2 3.54Å; Y372-Y427 AromaticContact CD1-CE2 3.17Å; Y372-Y427 HydrophobicContact CD1-CE2 3.17Å; Y372-Y427 AromaticContact CE1-CD2 3.52Å; Y372-Y427 HydrophobicContact CE1-CD2 3.52Å; Y372-Y427 AromaticContact CE1-CE2 3.68Å; Y372-Y427 HydrophobicContact CE1-CE2 3.68Å; Y372-Y427 HydrophobicContact CG-CD2 4.08Å; Y372-Y427 AromaticContact CG-CE2 3.64Å; Y372-Y427 HydrophobicContact CG-CE2 3.64Å; S376-Y427 WeakPolarHBondContact CB-OH 3.35Å; S376-Y427 PolarHBondContact OG-OH 3.37Å; F377-Y427 WeakPolarHBondContact CA-OH 3.41Å; F377-Y427 HydrophobicContact CD2-CE1 4.42Å; F377-Y427 PolarHBondContact N-OH 3.39Å; F377-Y427 VanDerWaalsContact N-OH 3.11Å; F380-Y427 HydrophobicContact CD2-CD1 4.05Å; F380-Y427 HydrophobicContact CD2-CE1 4.36Å; F380-Y427 AromaticContact CE2-CD1 3.85Å; F380-Y427 HydrophobicContact CE2-CD1 3.85Å; F380-Y427 HydrophobicContact CE2-CG 4.34Å; F380-Y427 HydrophobicContact CZ-CD1 4.41Å; Y424-Y427 WeakPolarHBondContact O-CB 3.18Å; Y424-Y427 PolarHBondContact O-N 3.49Å; Y424-Y427 VanDerWaalsContact O-N 3.11Å; E425-Y427 VanDerWaalsContact C-N 3.31Å; E425-Y427 PolarHBondContact O-N 3.5Å; Y427-K429 VanDerWaalsContact C-N 3.35Å; Y427-K429 PolarHBondContact O-N 2.89Å; Y427-F430 WeakPolarHBondContact O-CA 3.47Å; Y427-F430 VanDerWaalsContact O-CB 3.28Å; Y427-F430 WeakPolarHBondContact O-CB 3.31Å; Y427-F430 PolarHBondContact O-N 3.12Å; Y427-I431 HydrophobicContact CD1-CD1 3.91Å; Y427-I431 HydrophobicContact CE1-CD1 3.22Å; Y427-I431 HydrophobicContact CE1-CG1 4.3Å; Y427-I431 HydrophobicContact CE2-CD1 4.03Å; Y427-I431 PolarHBondContact O-N 3.03Å; Y427-I431 WeakPolarHBondContact OH-CD1 3.27Å
428L42.7Very low44.9Very low31 Ų3199.1 Ų99.116%0.16246%0.463CS..Hα-helixtrans-66.4-33-178.8-73.3173.2000113.3F380 Y424 F430 L440F380-L428 HydrophobicContact CE1-CD1 4.38Å; F380-L428 HydrophobicContact CE1-CD2 4.39Å; F380-L428 HydrophobicContact CE1-CG 4.42Å; F380-L428 HydrophobicContact CZ-CD1 3.94Å; F380-L428 HydrophobicContact CZ-CD2 4.23Å; F380-L428 HydrophobicContact CZ-CG 3.84Å; Y424-L428 PolarHBondContact O-N 3.25Å; L428-F430 PolarHBondContact O-N 3.49Å; L428-L440 HydrophobicContact CD1-CD1 3.65Å
429K45.8Very low43.3Very low158 Ų158101.6 Ų101.669%0.68748%0.476SS*.Hα-helixtrans-61.8-32.1170.8-78.9174.1-178.1166.30111.8E425 Y427E425-K429 WeakPolarHBondContact O-CB 3.18Å; E425-K429 WeakPolarHBondContact O-CG 3.36Å; E425-K429 PolarHBondContact O-N 3.26Å; E425-K429 VanDerWaalsContact O-N 3.09Å; Y427-K429 VanDerWaalsContact C-N 3.35Å; Y427-K429 PolarHBondContact O-N 2.89Å
430F42.4Very low41.8Very low149 Ų14997.1 Ų97.165%0.65446%0.456SS*.Hα-helixtrans-75.8-39.6-177.1-137.6-87.1000113Y372 Y427 L428 K432Y372-F430 HydrophobicContact CD2-CB 4.35Å; Y372-F430 AromaticContact CD2-CD1 3.75Å; Y372-F430 HydrophobicContact CD2-CD1 3.75Å; Y372-F430 HydrophobicContact CD2-CE1 4.37Å; Y372-F430 HydrophobicContact CD2-CG 4.24Å; Y372-F430 HydrophobicContact CE2-CB 3.97Å; Y372-F430 AromaticContact CE2-CD1 3.52Å; Y372-F430 HydrophobicContact CE2-CD1 3.52Å; Y372-F430 HydrophobicContact CE2-CD2 4.33Å; Y372-F430 HydrophobicContact CE2-CE1 4.02Å; Y372-F430 AromaticContact CE2-CG 3.68Å; Y372-F430 HydrophobicContact CE2-CG 3.68Å; Y427-F430 WeakPolarHBondContact O-CA 3.47Å; Y427-F430 VanDerWaalsContact O-CB 3.28Å; Y427-F430 WeakPolarHBondContact O-CB 3.31Å; Y427-F430 PolarHBondContact O-N 3.12Å; L428-F430 PolarHBondContact O-N 3.49Å; F430-K432 PolarHBondContact O-N 2.86Å
431I38.4Very low40.4Very low50 Ų50101.9 Ų101.926%0.25648%0.483SS..THydrogen-bonded Turntrans-81.75.8-177.1-50.7-173.9000112.7Y427 F433Y427-I431 HydrophobicContact CD1-CD1 3.91Å; Y427-I431 HydrophobicContact CE1-CD1 3.22Å; Y427-I431 HydrophobicContact CE1-CG1 4.3Å; Y427-I431 HydrophobicContact CE2-CD1 4.03Å; Y427-I431 PolarHBondContact O-N 3.03Å; Y427-I431 WeakPolarHBondContact OH-CD1 3.27Å; I431-F433 HydrophobicContact CG2-CD2 3.95Å; I431-F433 HydrophobicContact CG2-CE2 4.45Å; I431-F433 PolarHBondContact O-N 3.34Å
432K39.9Very low39.2Very low189 Ų189105.3 Ų105.382%0.82250%0.501SS*.THydrogen-bonded Turntrans5323.5177.4-65.1-177.4178.2175.40115.2F430 K434F430-K432 PolarHBondContact O-N 2.86Å; K432-K434 PolarHBondContact O-N 3.14Å; K432-K434 VanDerWaalsContact O-N 3.16Å
433F35.2Very low37.8Very low116 Ų116106.3 Ų106.351%0.50951%0.505SS..  trans-83.390.4174.4-100.5-97.4000111I431 N435 F436I431-F433 HydrophobicContact CG2-CD2 3.95Å; I431-F433 HydrophobicContact CG2-CE2 4.45Å; I431-F433 PolarHBondContact O-N 3.34Å; F433-N435 VanDerWaalsContact C-N 3.27Å; F433-N435 PolarHBondContact O-N 3.48Å; F433-F436 HydrophobicContact CD1-CD2 4.42Å
434K31.8Very low36.5Very low181 Ų181109.5 Ų109.579%0.78752%0.515SS*.THydrogen-bonded Turntrans-65.1-26173.5-81.9-177.9176.6177.60113.4K432K432-K434 PolarHBondContact O-N 3.14Å; K432-K434 VanDerWaalsContact O-N 3.16Å
435N33.2Very low35.2Very low127 Ų127110 Ų11068%0.67952%0.519SS*.THydrogen-bonded Turntrans-82-17.1-171.7-71.9-4.6000114.9F433 K437F433-N435 VanDerWaalsContact C-N 3.27Å; F433-N435 PolarHBondContact O-N 3.48Å; N435-K437 VanDerWaalsContact C-N 3.3Å; N435-K437 PolarHBondContact O-N 3.08Å
436F31Very low34.2Very low52 Ų52113 Ų11323%0.22853%0.531CS..Hα-helixtrans-73-24.9176.8-116-91.1000112.8F377 L381 F433 N438 N439 L440F377-F436 HydrophobicContact CE2-CE2 4.42Å; F377-F436 HydrophobicContact CZ-CD2 4.4Å; F377-F436 AromaticContact CZ-CE2 3.73Å; F377-F436 HydrophobicContact CZ-CE2 3.73Å; F377-F436 AromaticContact CZ-CZ 3.99Å; F377-F436 HydrophobicContact CZ-CZ 3.99Å; L381-F436 HydrophobicContact CD1-CE1 4.23Å; L381-F436 HydrophobicContact CD1-CZ 4.13Å; F433-F436 HydrophobicContact CD1-CD2 4.42Å; F436-N438 PolarHBondContact O-N 2.96Å; F436-N439 PolarHBondContact O-N 3.32Å; F436-L440 HydrophobicContact CB-CD1 4.33Å; F436-L440 HydrophobicContact CD1-CD1 3.94Å; F436-L440 HydrophobicContact CD1-CG 4.38Å; F436-L440 WeakPolarHBondContact O-CB 3.48Å; F436-L440 PolarHBondContact O-N 3.45Å
437K30.2Very low32.9Very low162 Ų162114.7 Ų114.770%0.70454%0.541SS*.Hα-helixtrans-59.9-29.7179.8-137.1179.6-174.6-174.60113.1N435N435-K437 VanDerWaalsContact C-N 3.3Å; N435-K437 PolarHBondContact O-N 3.08Å
438N30.6Very low31.8Very low123 Ų123117.9 Ų117.966%0.65856%0.555SS**Hα-helixtrans-81.2-29.5-179.6-72.1-4.7000113.1F436F436-N438 PolarHBondContact O-N 2.96Å
439N25.8Very low30.8Very low133 Ų133121.7 Ų121.771%0.71158%0.581SS**Hα-helixtrans-86.4-23.5176.7-72.4-11.2000112.3F436 N441F436-N439 PolarHBondContact O-N 3.32Å; N439-N441 PolarHBondContact O-N 2.94Å; N439-N441 VanDerWaalsContact O-N 3.09Å
440L30.3Very low29.8Very low32 Ų32119.2 Ų119.217%0.16857%0.574CS.*  trans-78.738.3169.4-80.8157.2000112Y384 L428 F436 L442Y384-L440 HydrophobicContact CD2-CD2 3.8Å; Y384-L440 HydrophobicContact CE1-CD2 4.09Å; Y384-L440 HydrophobicContact CE2-CD2 3.12Å; Y384-L440 HydrophobicContact CE2-CG 4.44Å; Y384-L440 WeakPolarHBondContact OH-CD2 3.46Å; L428-L440 HydrophobicContact CD1-CD1 3.65Å; F436-L440 HydrophobicContact CB-CD1 4.33Å; F436-L440 HydrophobicContact CD1-CD1 3.94Å; F436-L440 HydrophobicContact CD1-CG 4.38Å; F436-L440 WeakPolarHBondContact O-CB 3.48Å; F436-L440 PolarHBondContact O-N 3.45Å; L440-L442 PolarHBondContact O-N 2.86Å
441N29.2Very low28.8Very low132 Ų132118.3 Ų118.371%0.70658%0.576SS**  trans-62.883.8160.9-88-20.8000107N439 I443N439-N441 PolarHBondContact O-N 2.94Å; N439-N441 VanDerWaalsContact O-N 3.09Å; N441-I443 VanDerWaalsContact C-N 3.34Å; N441-I443 PolarHBondContact O-N 3.42Å
442L30.7Very low28Very low94 Ų94122.2 Ų122.249%0.49260%0.598SS.*  trans-43.2107.7161.6-70.4160.8000104.4L421 L440 K444L421-L442 HydrophobicContact CD1-CD2 3.47Å; L421-L442 VanDerWaalsContact CD1-CD2 3.47Å; L440-L442 PolarHBondContact O-N 2.86Å; L442-K444 PolarHBondContact O-N 3.45Å
443I25.9Very low27.2Very low114 Ų114119.8 Ų119.859%0.58559%0.594SS**  trans-55.7100166.9-65.3170.9000102.9N441 L445N441-I443 VanDerWaalsContact C-N 3.34Å; N441-I443 PolarHBondContact O-N 3.42Å; I443-L445 VanDerWaalsContact C-N 3.28Å; I443-L445 PolarHBondContact O-N 3.12Å
444K26.4Very low26.5Very low165 Ų165122.1 Ų122.172%0.71761%0.612SS**  trans-60.6101.5178.4-76.3176.8179171.70103.9L442 K446L442-K444 PolarHBondContact O-N 3.45Å; K444-K446 HydrophobicContact CB-CB 4.31Å; K444-K446 HydrophobicContact CB-CG 4.35Å; K444-K446 PolarHBondContact O-N 2.91Å
445L26.5Very low26Very low36 Ų36122.7 Ų122.719%0.18861%0.614CS.*  trans-64.221.3164.5-77.7165.7000111.5Q391 I395 L410 I443 Q447 F448Q391-L445 HydrophobicContact CG-CD1 4.09Å; I395-L445 HydrophobicContact CD1-CD2 4.19Å; I395-L445 HydrophobicContact CG1-CD2 4.22Å; L410-L445 HydrophobicContact CD1-CD1 4.28Å; I443-L445 VanDerWaalsContact C-N 3.28Å; I443-L445 PolarHBondContact O-N 3.12Å; L445-Q447 PolarHBondContact O-N 3.44Å; L445-F448 HydrophobicContact CD2-CE2 4.43Å
446K25Very low25.4Very low167 Ų167122.2 Ų122.273%0.72661%0.612SS**THydrogen-bonded Turntrans-74.6114.5168.4-67.3-168.8174.8-167.80105.4K444K444-K446 HydrophobicContact CB-CB 4.31Å; K444-K446 HydrophobicContact CB-CG 4.35Å; K444-K446 PolarHBondContact O-N 2.91Å
447Q23.2Very low24.8Very low187 Ų187130 Ų13087%0.87464%0.641SS**THydrogen-bonded Turntrans96.358.3176.2-51.6170-2.700115.1L445 P449L445-Q447 PolarHBondContact O-N 3.44Å; Q447-P449 WeakPolarHBondContact O-CD 3.28Å
448F23.4Very low24.4Very low78 Ų78131.5 Ų131.534%0.34264%0.644SS.*  trans-69.8118.6134-102.7-89.3000106.5M398 L445 I450M398-F448 HydrophobicContact CB-CZ 4.43Å; L445-F448 HydrophobicContact CD2-CE2 4.43Å; F448-I450 PolarHBondContact O-N 3.43Å; F448-I450 VanDerWaalsContact O-N 3.12Å
449P23.3Very low23.8Very low110 Ų110132.9 Ų132.971%0.71465%0.65SS**  trans-67.4113.9175.426.7-30.1000108.1Q447 N451Q447-P449 WeakPolarHBondContact O-CD 3.28Å; P449-N451 PolarHBondContact O-N 2.78Å
450I23.9Very low23.5Very low106 Ų106132.5 Ų132.554%0.54465%0.648SS.*  trans-83.1109.8174.2-58.5168.9000105.9F448 N452F448-I450 PolarHBondContact O-N 3.43Å; F448-I450 VanDerWaalsContact O-N 3.12Å; I450-N452 WeakPolarHBondContact CG2-OD1 3.25Å; I450-N452 PolarHBondContact O-N 3.19Å
451N21.5Very low23.1Very low130 Ų130140 Ų14070%0.69568%0.683SS**  trans-66.388.6164.7-100.37.3000108.1P449 N453P449-N451 PolarHBondContact O-N 2.78Å; N451-N453 PolarHBondContact O-N 2.94Å
452N22.3Very low22.7Very low133 Ų133140 Ų14071%0.71168%0.682SS**  trans-72.862.3173.3-89.7-11.3000110.2I450I450-N452 WeakPolarHBondContact CG2-OD1 3.25Å; I450-N452 PolarHBondContact O-N 3.19Å
453N21.9Very low22.2Very low138 Ų138143 Ų14374%0.73870%0.697SS**  trans-123.260.1163.8-82.5-15.5000108.4N451N451-N453 PolarHBondContact O-N 2.94Å
454N21.4Very low21.9Very low164 Ų164145 Ų14588%0.87771%0.707SS**SBendtrans-157.8123.5145.3-91.8-27.1000110.3
455K20.6Very low21.7Very low193 Ų193144.5 Ų144.584%0.83971%0.711SS**  trans-63.3143.7-166-68.7166.4173.6172.90112.7
456N20.3Very low21.3Very low117 Ų117149.7 Ų149.763%0.62674%0.739SS**  trans57.780.5147.5-61.7-13.3000118.2
457Y19.1Very low21Very low216 Ų216151 Ų15185%0.84775%0.745SS**  trans-131.290.2133.8-80.9-78.9000108.4L459Y457-L459 PolarHBondContact O-N 3.26Å
458Y20.4Very low20.9Very low194 Ų194148.9 Ų148.976%0.76174%0.74SS**  trans-63.299.5162.2-76-90.7000107.6N460Y458-N460 PolarHBondContact O-N 3.26Å; Y458-N460 VanDerWaalsContact O-N 3.09Å
459L19.5Very low20.7Very low152 Ų152151.6 Ų151.680%0.79676%0.757SS**  trans-77.290.7158.9-86.7159.6000106.8Y457 E461Y457-L459 PolarHBondContact O-N 3.26Å; L459-E461 PolarHBondContact O-N 3.43Å
460N19.3Very low20.7Very low125 Ų125153.3 Ų153.367%0.66876%0.761SS**  trans-43.8124168.8-79.2-30.9000111Y458 N462Y458-N460 PolarHBondContact O-N 3.26Å; Y458-N460 VanDerWaalsContact O-N 3.09Å; N460-N462 PolarHBondContact O-N 3.07Å
461E21.6Very low20.7Very low190 Ų190157.5 Ų157.589%0.88878%0.775SS**  trans-66.429.2169.1-73.4-173.1140.400114L459 I463L459-E461 PolarHBondContact O-N 3.43Å; E461-I463 VanDerWaalsContact C-N 3.34Å; E461-I463 PolarHBondContact O-N 3.28Å; E461-I463 VanDerWaalsContact O-N 3.13Å
462N20.4Very low20.7Very low131 Ų131158.8 Ų158.870%0.70178%0.782SS**  trans-92.973.8176.8-71.7-18.1000110.3N460 I464N460-N462 PolarHBondContact O-N 3.07Å; N462-I464 PolarHBondContact O-N 3.35Å; N462-I464 VanDerWaalsContact O-N 3.09Å
463I21.1Very low21Very low157 Ų157159 Ų15981%0.80578%0.783SS**  trans-59.9108.4149.3-70.6174.1000106.1E461 I465E461-I463 VanDerWaalsContact C-N 3.34Å; E461-I463 PolarHBondContact O-N 3.28Å; E461-I463 VanDerWaalsContact O-N 3.13Å; I463-I465 PolarHBondContact O-N 3.49Å
464I19.5Very low21.3Very low155 Ų155157.2 Ų157.280%0.79577%0.773SS**  trans-55.296.6176.3-65.1160000108.6N462N462-I464 PolarHBondContact O-N 3.35Å; N462-I464 VanDerWaalsContact O-N 3.09Å
465I20.6Very low21.4Very low156 Ų156155.9 Ų155.980%0.877%0.765SS**  trans-87.6105.1156.4-64.1176.6000106I463I463-I465 PolarHBondContact O-N 3.49Å
466N18.9Very low21.5Very low145 Ų145152.8 Ų152.878%0.77576%0.757SS**  trans25.3117159.9-80-22.5000119.8N468N466-N468 PolarHBondContact O-N 2.92Å
467K18.9Very low21.8Very low194 Ų194153.9 Ų153.984%0.84376%0.757SS**  trans-17.6116.1146-65.5173.9176.2177.60113.5
468N20.2Very low22Very low143 Ų143150.2 Ų150.277%0.76575%0.751SS**  -174.7112.4124.3-91.8-19000111N466N466-N468 PolarHBondContact O-N 2.92Å
469N20.6Very low22.1Very low134 Ų134148.5 Ų148.572%0.71775%0.748SS**  trans40.3120.5139.7-66.2-15.6000120.5
470N22.5Very low22.4Very low146 Ų146146.4 Ų146.478%0.78174%0.737SS**  trans76.2128.7135.9-69.2-19.3000118.8
471K23.8Very low22.6Very low195 Ų195147.9 Ų147.985%0.84874%0.738SS**  trans87.784163.9-58.8177.9179.9179.20115.4N473K471-N473 PolarHBondContact O-N 3.05Å
472N22.6Very low22.8Very low157 Ų157144.5 Ų144.584%0.8473%0.726SS**THydrogen-bonded Turntrans-34.7106.7134.4-70.2-22.1000109.4
473N27Very low23Very low138 Ų138143.4 Ų143.474%0.73872%0.72SS**THydrogen-bonded Turntrans172.23.6145.2-88.1-13.8000116.8K471K471-N473 PolarHBondContact O-N 3.05Å
474D28.6Very low23.3Very low99 Ų99143 Ų14353%0.52972%0.715SS.*SBendtrans-1134.7-178.4-72.4-40.2000117.1K477D474-K477 PolarHBondContact O-N 3.42Å; D474-K477 WeakPolarHBondContact OD1-CD 3.42Å; D474-K477 IonicContact OD1-NZ 2.82Å; D474-K477 PolarHBondContact OD1-NZ 3.04Å
475I23.5Very low23.5Very low136 Ų136140.8 Ų140.870%0.69770%0.704SS**THydrogen-bonded Turntrans-74.7-29.3170.6-62.6176.2000111.7K477 L478I475-K477 PolarHBondContact O-N 3.35Å; I475-L478 PolarHBondContact O-N 3.03Å
476N23.7Very low23.7Very low128 Ų128138.2 Ų138.268%0.68469%0.692SS**Hα-helixtrans-73-10.6174.2-75.7-15.5000113.8
477K25.8Very low24Very low140 Ų140138.6 Ų138.661%0.60969%0.689SS**Hα-helixtrans-90.6-14.5176.3-75-171.2-166.8138.60114.5D474 I475D474-K477 PolarHBondContact O-N 3.42Å; D474-K477 WeakPolarHBondContact OD1-CD 3.42Å; D474-K477 IonicContact OD1-NZ 2.82Å; D474-K477 PolarHBondContact OD1-NZ 3.04Å; I475-K477 PolarHBondContact O-N 3.35Å
478L22.8Very low24.2Very low140 Ų140132.5 Ų132.573%0.73367%0.671SS**Hα-helixtrans-85.4-28172.5-96.8140.8000112.6I475 N480I475-L478 PolarHBondContact O-N 3.03Å; L478-N480 VanDerWaalsContact C-N 3.34Å; L478-N480 PolarHBondContact O-N 3.42Å
479F22.8Very low24.4Very low157 Ų157131 Ų13169%0.68966%0.661SS**Hα-helixtrans-71.9-24172.7-87.5-82.1000113.8
480N25.5Very low24.7Very low108 Ų108132.8 Ų132.858%0.57866%0.663SS**THydrogen-bonded Turntrans-89.4-6.2-178.2-81.9-17.4000115.6L478L478-N480 VanDerWaalsContact C-N 3.34Å; L478-N480 PolarHBondContact O-N 3.42Å
481K24.9Very low24.8Very low156 Ų156135 Ų13568%0.67867%0.666SS**Hα-helixtrans-81.3-13.5175.1-92.3-177174.3-1800114.6
482N24.3Very low24.7Very low119 Ų119132.9 Ų132.964%0.63666%0.662SS**Hα-helixtrans-79.4-15.8173.6-78.6-12.9000113.7
483N26.4Very low24.7Very low109 Ų109134.6 Ų134.658%0.58366%0.662SS**Hα-helixtrans-86-23.6177.4-76.1-16.3000113.6
484Q25.7Very low24.5Very low149 Ų149137.1 Ų137.170%0.69667%0.666SS**Hα-helixtrans-82.4-23.9175.9-78.7-175.7-21.600113.6N486 S488Q484-N486 VanDerWaalsContact C-N 3.28Å; Q484-N486 PolarHBondContact O-N 2.8Å; Q484-S488 PolarHBondContact O-OG 3.47Å
485L24.5Very low24.2Very low107 Ų107141.2 Ų141.256%0.5668%0.682SS**Hα-helixtrans-69.3-29.2175-142.384.1000112E487 S488 I489L485-E487 VanDerWaalsContact C-N 3.34Å; L485-E487 PolarHBondContact O-N 3.3Å; L485-S488 PolarHBondContact O-OG 3.37Å; L485-I489 WeakPolarHBondContact O-CD1 3.3Å; L485-I489 WeakPolarHBondContact O-CG1 3.48Å; L485-I489 PolarHBondContact O-N 3.13Å
486N24.5Very low24.1Very low102 Ų102143.6 Ų143.655%0.54569%0.688SS.*Hα-helixtrans-74.6-16.9-179-82.5-20000114.5Q484Q484-N486 VanDerWaalsContact C-N 3.28Å; Q484-N486 PolarHBondContact O-N 2.8Å
487E25.4Very low23.9Very low153 Ų153144.9 Ų144.972%0.71569%0.689SS**Hα-helixtrans-91.9-32.2174.3-68.8-153.7145.300113.2L485 I489 K490L485-E487 VanDerWaalsContact C-N 3.34Å; L485-E487 PolarHBondContact O-N 3.3Å; E487-I489 VanDerWaalsContact C-N 3.3Å; E487-I489 PolarHBondContact O-N 3.05Å; E487-K490 PolarHBondContact O-N 3.31Å
488S23.9Very low23.7Very low66 Ų66148.4 Ų148.446%0.46271%0.705SS.*Hα-helixtrans-65.9-31.3173.3330000113.1Q484 L485 K490 K491Q484-S488 PolarHBondContact O-OG 3.47Å; L485-S488 PolarHBondContact O-OG 3.37Å; S488-K490 VanDerWaalsContact C-N 3.27Å; S488-K490 PolarHBondContact O-N 3.05Å; S488-K491 PolarHBondContact O-N 3.47Å
489I24.2Very low23.5Very low111 Ų111150 Ų15057%0.56971%0.706SS**THydrogen-bonded Turntrans-73.6-18.2179.2-66.4169.1000112L485 E487 K491L485-I489 WeakPolarHBondContact O-CD1 3.3Å; L485-I489 WeakPolarHBondContact O-CG1 3.48Å; L485-I489 PolarHBondContact O-N 3.13Å; E487-I489 VanDerWaalsContact C-N 3.3Å; E487-I489 PolarHBondContact O-N 3.05Å; I489-K491 PolarHBondContact O-N 3.43Å
490K25.6Very low23.3Very low173 Ų173148.5 Ų148.575%0.75271%0.706SS**THydrogen-bonded Turntrans-78.4-11.6176.4-77.2-177.11801750114.6E487 S488E487-K490 PolarHBondContact O-N 3.31Å; S488-K490 VanDerWaalsContact C-N 3.27Å; S488-K490 PolarHBondContact O-N 3.05Å
491K25.1Very low23Very low192 Ų192153.1 Ų153.184%0.83572%0.721SS**SBendtrans-101.7-5.2-176.7-83.1-177176.5176.40116.3S488 I489 K493S488-K491 PolarHBondContact O-N 3.47Å; I489-K491 PolarHBondContact O-N 3.43Å; K491-K493 VanDerWaalsContact C-N 3.3Å; K491-K493 PolarHBondContact O-N 3.17Å
492I22.3Very low22.8Very low151 Ų151150.6 Ų150.677%0.77472%0.723SS**  trans-9319.9179.1-57.2173.6000112.3K494I492-K494 VanDerWaalsContact C-N 3.32Å; I492-K494 PolarHBondContact O-N 3.04Å
493K22.9Very low22.7Very low192 Ų192151.5 Ų151.584%0.83573%0.727SS**  trans-85.721.6177.3-84.7-167.4176.2-175.80115.8K491K491-K493 VanDerWaalsContact C-N 3.3Å; K491-K493 PolarHBondContact O-N 3.17Å
494K23.3Very low22.5Very low191 Ų191156 Ų15683%0.8374%0.742SS**  trans-137.184.4175.6-71.5-173.3178.8-1780111.3I492I492-K494 VanDerWaalsContact C-N 3.32Å; I492-K494 PolarHBondContact O-N 3.04Å
495Q21.7Very low22.3Very low186 Ų186157 Ų15787%0.86975%0.75SS**  trans173.4112135.8-94.216218.900111.7
496K20.9Very low22.1Very low185 Ų185158.2 Ų158.280%0.80476%0.757SS**  trans47.5122.2135.4-69.2-176.3175.8-177.50120.9
497H20.4Very low22Very low156 Ų156160.2 Ų160.272%0.72277%0.768SS**  trans55.2105.3142-68.4-70.5000118.2
498F20.6Very low21.7Very low213 Ų213160 Ų16093%0.93477%0.771SS**  -165.2149.3113.1-107.7-80.9000109.9
499F18.5Very low21.5Very low173 Ų173162.1 Ų162.176%0.75979%0.786SS**  trans-69.4153.2-162-92.8-108000116.4
500N19.4Very low21.4Very low127 Ų127164.6 Ų164.668%0.67979%0.793SS**  trans99.8119135-81.5-14.5000122.6
501F19.7Very low21.1Very low205 Ų205163.5 Ų163.590%0.89980%0.795SS**  trans76.768.8159.8-68.9-76.3000119.9
502S19.5Very low20.8Very low102 Ų102161.3 Ų161.371%0.71379%0.792SS**  trans-131.9123.3140.271.40000109.7
503N22Very low20.7Very low138 Ų138162 Ų16274%0.73880%0.796SS**  trans158.590.9141.8-82.3-13.4000111.6
504K21.8Very low20.5Very low204 Ų204158.7 Ų158.789%0.88779%0.786SS**SBendtrans-157.7133137.7-111.2170.7-177.8-179.40107.3
505I22.1Very low20.4Very low169 Ų169155.3 Ų155.387%0.86778%0.782SS**  trans88.452.2-171.4-43.6160.5000113.1
506N20.4Very low20.4Very low134 Ų134151 Ų15172%0.71777%0.772SS**  trans-85.6127.4132.3-86-22.3000106.8
507N21.7Very low20.6Very low143 Ų143151.7 Ų151.777%0.76578%0.778SS**  trans147.987.7144.3-76.4-6.4000111
508L20.3Very low21Very low149 Ų149151 Ų15178%0.7878%0.78SS**  trans-166.178.4137.6-101.9142.1000107.6F510L508-F510 HydrophobicContact CD2-CD2 3.71Å; L508-F510 HydrophobicContact CD2-CE2 3.58Å; L508-F510 PolarHBondContact O-N 3.38Å
509S19.2Very low21.2Very low110 Ų110147.2 Ų147.277%0.76977%0.769SS**  trans-60118.3155.946.20000109.1
510F21.5Very low21.3Very low164 Ų164148.5 Ų148.572%0.71978%0.775SS**  trans-124.954.7162.7-104-78.5000108.7L508L508-F510 HydrophobicContact CD2-CD2 3.71Å; L508-F510 HydrophobicContact CD2-CE2 3.58Å; L508-F510 PolarHBondContact O-N 3.38Å
511D19.4Very low21.6Very low150 Ų150152.5 Ų152.580%0.80279%0.787SS**  trans-100.7130.7148.9-78.9-35.7000106
512L20.1Very low21.9Very low146 Ų146152.2 Ų152.276%0.76479%0.785SS**  trans103.678.3-178.5-60.9158.1000116.1I514L512-I514 HydrophobicContact CD2-CD1 4.24Å
513L19.1Very low22Very low164 Ų164154 Ų15486%0.85979%0.786SS**  trans-145.284138.3-110.5153.5000109.8
514I19.1Very low22Very low124 Ų124154 Ų15464%0.63679%0.785SS**  trans-69.1144.2167.7-85.7158.8000110L512L512-I514 HydrophobicContact CD2-CD1 4.24Å
515T21.1Very low22.2Very low120 Ų120152.8 Ų152.874%0.73678%0.783SS**  trans26.7116.5153.9670000119.4
516S22.1Very low22.2Very low96 Ų96152.1 Ų152.167%0.67178%0.781SS**  165.6114.4121480000110N518S516-N518 PolarHBondContact O-N 3.37Å
517E25.3Very low22.3Very low198 Ų198153.6 Ų153.693%0.92579%0.788SS**THydrogen-bonded Turntrans-64.511.4175.5-77.9177130.900114.5
518N27.7Very low22.2Very low142 Ų142154.6 Ų154.676%0.75979%0.793SS**THydrogen-bonded Turntrans-105.93.6-167.3-84-17.1000117.2S516S516-N518 PolarHBondContact O-N 3.37Å
519N24.6Very low22.2Very low133 Ų133154.1 Ų154.171%0.71179%0.789SS**SBendtrans-116.94.8178.5-79.5-26.3000116.9
520F22.4Very low22.4Very low201 Ų201156.1 Ų156.188%0.88279%0.792SS**THydrogen-bonded Turntrans-84.4-4.1175.1-99.2-83.5000115.4
521K25.5Very low22.5Very low211 Ų211154.9 Ų154.992%0.91779%0.793SS**THydrogen-bonded Turntrans-88.27.8176-90.7-174.6177.7178.20115.8
522K25.2Very low22.8Very low199 Ų199154.5 Ų154.587%0.86579%0.791SS**SBendtrans-128.512.5-177.2-119177.9-177.4179.50117
523L21.1Very low23Very low140 Ų140154 Ų15473%0.73379%0.789SS**SBendtrans-122.530.6179.6-121.2143.7000113.4
524N21.6Very low23.3Very low136 Ų136152.6 Ų152.673%0.72778%0.782SS**SBendtrans-109.521.1179.2-123.9-1.4000115.2
525Q26Very low23.6Very low179 Ų179154 Ų15484%0.83679%0.79SS**SBendtrans-137.4-3.1178.2-77.2-171.4-15.300118.4
526N23.7Very low23.7Very low156 Ų156155.6 Ų155.683%0.83479%0.789SS**SBendtrans-126.922-170.3-83-15.9000118.1
527L21.2Very low23.8Very low165 Ų165156.6 Ų156.686%0.86479%0.786SS**SBendtrans-123.622.3170.3-78.5161.5000114
528L20Very low23.8Very low164 Ų164152.7 Ų152.786%0.85977%0.772SS**SBendtrans-88.63.7170.1-109.5162.5000114.2
529I21.2Very low23.6Very low138 Ų138156.5 Ų156.571%0.70878%0.776SS**  trans-143.395.4-176.6-51.3177.2000109.7
530N22.6Very low23.5Very low152 Ų152156.1 Ų156.181%0.81377%0.773SS**  trans-168.590.2144.2-96.1-18.6000110.8
531N23.4Very low23.7Very low139 Ų139150.7 Ų150.774%0.74375%0.753SS**  trans32.6133.8134-67.5-21.1000120.7
532N26.1Very low23.7Very low142 Ų142147.9 Ų147.976%0.75974%0.743SS**  trans10824.4150-63.8-10.7000121.1
533N24.2Very low23.8Very low135 Ų135147 Ų14772%0.72274%0.74SS**  trans-111.97.4159.5-75.2-17.8000115.2L535 Q536N533-L535 PolarHBondContact O-N 3Å; N533-Q536 PolarHBondContact O-N 2.81Å
534N25.7Very low24.4Very low135 Ų135142 Ų14272%0.72271%0.713SS**THydrogen-bonded Turntrans-68.63.4170.5-91.3-9.4000114.8
535L24.5Very low25.4Very low153 Ų153143.4 Ų143.480%0.80172%0.721SS**THydrogen-bonded Turntrans-110.20.3177-103.6111.3000115.9N533N533-L535 PolarHBondContact O-N 3Å
536Q24.5Very low25.9Very low153 Ų153136.1 Ų136.172%0.71569%0.688SS**THydrogen-bonded Turntrans-109.9-14.9170.2-70-172.5-10.700113.8N533N533-Q536 PolarHBondContact O-N 2.81Å
537L23.2Very low27.1Very low118 Ų118134.8 Ų134.862%0.61868%0.68SS**SBendtrans-74.2-30.2172.2-124.877.7000113R539 L540L537-R539 PolarHBondContact O-N 2.81Å; L537-L540 PolarHBondContact O-N 2.78Å
538N25.7Very low28.6Very low116 Ų116132.7 Ų132.762%0.6267%0.666SS**THydrogen-bonded Turntrans-80.5-10.7-176.2-78.1-14.4000115
539R23.6Very low29.8Very low222 Ų222125.6 Ų125.684%0.83863%0.629SS**THydrogen-bonded Turntrans-97.9-6.5171.8-75.9-172.3176.5178.1-0.1114L537L537-R539 PolarHBondContact O-N 2.81Å
540L23.1Very low31.1Very low125 Ų125123 Ų12365%0.65461%0.612SS**THydrogen-bonded Turntrans-90.7-15.5173.1-92.3150.6000113.3L537 Q542L537-L540 PolarHBondContact O-N 2.78Å; L540-Q542 VanDerWaalsContact C-N 3.32Å; L540-Q542 PolarHBondContact O-N 3.15Å
541N25.7Very low32.5Very low87 Ų87122.2 Ų122.247%0.46560%0.604SS.*THydrogen-bonded Turntrans-83.98.1-179.9-77.7-10.4000115.2
542Q26.5Very low33.8Very low152 Ų152117 Ų11771%0.7158%0.576SS**THydrogen-bonded Turntrans-108.55.9-174.2-88.3-171-1800116.6L540L540-Q542 VanDerWaalsContact C-N 3.32Å; L540-Q542 PolarHBondContact O-N 3.15Å
543F25.7Very low34.9Very low180 Ų180113.9 Ų113.979%0.78956%0.558SS**SBendtrans-143.636.4179.9-75.6-73.4000115.2K580F543-K580 PolarHBondContact O-NZ 3.1Å
544I34.8Very low36.1Very low36 Ų36114.3 Ų114.319%0.18556%0.556CS.*SBendtrans-119.2130.5174.5-45.7-173.2000107.5D546 K580I544-D546 VanDerWaalsContact CB-OD1 3.28Å; I544-D546 WeakPolarHBondContact CB-OD1 3.26Å; I544-D546 WeakPolarHBondContact O-CA 3.41Å; I544-D546 WeakPolarHBondContact O-CB 3.19Å; I544-D546 PolarHBondContact O-N 3.43Å; I544-K580 HydrophobicContact CB-CD 4.41Å; I544-K580 HydrophobicContact CD1-CD 3.81Å; I544-K580 HydrophobicContact CD1-CG 4.33Å; I544-K580 HydrophobicContact CG1-CD 3.7Å; I544-K580 HydrophobicContact CG2-CD 4.19Å
545N41.1Very low37.2Very low165 Ų165109.2 Ų109.288%0.88253%0.531SS*.  trans-65.293.1162.8-81.7-7000106
546D38Very low38.2Very low26 Ų26110.2 Ų110.214%0.13954%0.537CS..  trans-89.7-12.9-141.4-115.1-28.7000113.9I544 K550I544-D546 VanDerWaalsContact CB-OD1 3.28Å; I544-D546 WeakPolarHBondContact CB-OD1 3.26Å; I544-D546 WeakPolarHBondContact O-CA 3.41Å; I544-D546 WeakPolarHBondContact O-CB 3.19Å; I544-D546 PolarHBondContact O-N 3.43Å; D546-K550 HydrophobicContact CB-CD 3.9Å; D546-K550 HydrophobicContact CB-CG 4.36Å; D546-K550 WeakPolarHBondContact O-CB 3.15Å; D546-K550 WeakPolarHBondContact O-CG 3.38Å; D546-K550 PolarHBondContact O-N 3.48Å; D546-K550 WeakPolarHBondContact OD1-CE 3.33Å; D546-K550 IonicContact OD1-NZ 2.86Å; D546-K550 WeakPolarHBondContact OD2-CE 3.27Å; D546-K550 IonicContact OD2-NZ 3.63Å; D546-K550 PolarHBondContact OD2-NZ 3.35Å
547N49.2Very low39.1Very low127 Ų127106.6 Ų106.668%0.67952%0.522SS*.Hα-helixtrans-69.8-48.3-164.5-69.9-7.2000112.8K550 E551N547-K550 PolarHBondContact O-N 2.89Å; N547-E551 WeakPolarHBondContact O-CB 3.26Å; N547-E551 WeakPolarHBondContact O-CG 3.11Å; N547-E551 PolarHBondContact O-N 2.94Å
548E52Low40.2Very low122 Ų122103.3 Ų103.357%0.5751%0.508SS*.Hα-helixtrans-68.4-41-176.4-62.8177.1167.600112.6E551 I552E548-E551 PolarHBondContact O-N 3.24Å; E548-I552 WeakPolarHBondContact O-CG1 3.39Å; E548-I552 PolarHBondContact O-N 3.05Å; E548-I552 VanDerWaalsContact O-N 3.12Å
549L46Very low41.6Very low15 Ų1599.4 Ų99.48%0.07949%0.485CS..Hα-helixtrans-72.5-38.6178.7-135.4102.4000111.3I552 I553 L569 I581L549-I552 PolarHBondContact O-N 2.76Å; L549-I553 HydrophobicContact CD2-CD1 4.14Å; L549-I553 WeakPolarHBondContact O-CB 3.46Å; L549-I553 WeakPolarHBondContact O-CD1 3.49Å; L549-I553 VanDerWaalsContact O-CG1 3.24Å; L549-I553 WeakPolarHBondContact O-CG1 3.43Å; L549-I553 PolarHBondContact O-N 3.49Å; L549-L569 HydrophobicContact CD1-CD1 4.1Å; L549-I581 HydrophobicContact CD1-CG1 3.86Å
550K48.7Very low42.7Very low82 Ų8291.7 Ų91.736%0.35746%0.458SS..Hα-helixtrans-63.6-42172.9-80.2179.7-177.7158.40111.4D546 N547 I552 I553 H554D546-K550 HydrophobicContact CB-CD 3.9Å; D546-K550 HydrophobicContact CB-CG 4.36Å; D546-K550 WeakPolarHBondContact O-CB 3.15Å; D546-K550 WeakPolarHBondContact O-CG 3.38Å; D546-K550 PolarHBondContact O-N 3.48Å; D546-K550 WeakPolarHBondContact OD1-CE 3.33Å; D546-K550 IonicContact OD1-NZ 2.86Å; D546-K550 WeakPolarHBondContact OD2-CE 3.27Å; D546-K550 IonicContact OD2-NZ 3.63Å; D546-K550 PolarHBondContact OD2-NZ 3.35Å; N547-K550 PolarHBondContact O-N 2.89Å; K550-I552 PolarHBondContact O-N 3.4Å; K550-I553 PolarHBondContact O-N 2.88Å; K550-H554 VanDerWaalsContact O-CB 3.3Å; K550-H554 WeakPolarHBondContact O-CB 3.18Å; K550-H554 PolarHBondContact O-CD2 2.79Å; K550-H554 PolarHBondContact O-N 2.93Å
551E51.1Low43.7Very low136 Ų13688.4 Ų88.464%0.63644%0.437SS*.Hα-helixtrans-60.1-45176-81.7-173.9175.300111.4N547 E548 S555N547-E551 WeakPolarHBondContact O-CB 3.26Å; N547-E551 WeakPolarHBondContact O-CG 3.11Å; N547-E551 PolarHBondContact O-N 2.94Å; E548-E551 PolarHBondContact O-N 3.24Å; E551-S555 WeakPolarHBondContact O-CA 3.49Å; E551-S555 WeakPolarHBondContact O-CB 3.47Å; E551-S555 PolarHBondContact O-N 3.01Å
552I49.9Very low44.8Very low29 Ų2986.1 Ų86.115%0.14942%0.423CS..Hα-helixtrans-65.6-42.3177.4-65.8163.4000111.4E548 L549 K550 S555 K562 A565 L569 F584E548-I552 WeakPolarHBondContact O-CG1 3.39Å; E548-I552 PolarHBondContact O-N 3.05Å; E548-I552 VanDerWaalsContact O-N 3.12Å; L549-I552 PolarHBondContact O-N 2.76Å; K550-I552 PolarHBondContact O-N 3.4Å; I552-S555 PolarHBondContact O-OG 3.36Å; I552-K562 HydrophobicContact CG2-CB 4.26Å; I552-K562 HydrophobicContact CG2-CG 4.29Å; I552-K562 VanDerWaalsContact O-CE 3.29Å; I552-K562 WeakPolarHBondContact O-CE 3.36Å; I552-A565 HydrophobicContact CD1-CB 3.92Å; I552-A565 HydrophobicContact CG1-CB 4.38Å; I552-A565 HydrophobicContact CG2-CB 4.2Å; I552-L569 HydrophobicContact CD1-CD1 3.44Å; I552-L569 VanDerWaalsContact CD1-CD1 3.44Å; I552-L569 HydrophobicContact CD1-CG 4.46Å; I552-F584 HydrophobicContact CG2-CE1 4.39Å; I552-F584 HydrophobicContact CG2-CZ 3.95Å
553I49.8Very low46.1Very low77 Ų7780 Ų8040%0.39540%0.395SS..Hα-helixtrans-62.7-50.1178.1-72165.5000111L549 K550 S555 K562 F584L549-I553 HydrophobicContact CD2-CD1 4.14Å; L549-I553 WeakPolarHBondContact O-CB 3.46Å; L549-I553 WeakPolarHBondContact O-CD1 3.49Å; L549-I553 VanDerWaalsContact O-CG1 3.24Å; L549-I553 WeakPolarHBondContact O-CG1 3.43Å; L549-I553 PolarHBondContact O-N 3.49Å; K550-I553 PolarHBondContact O-N 2.88Å; I553-S555 VanDerWaalsContact C-N 3.35Å; I553-K562 PolarHBondContact O-NZ 3.06Å; I553-F584 HydrophobicContact CD1-CD2 4.22Å; I553-F584 HydrophobicContact CD1-CE2 4.28Å; I553-F584 HydrophobicContact CG1-CD2 3.96Å; I553-F584 HydrophobicContact CG1-CE2 3.53Å; I553-F584 HydrophobicContact CG1-CZ 4.36Å
554H49.2Very low47.1Very low145 Ų14575.6 Ų75.667%0.67138%0.38SS*.Hα-helixtrans-82.1-8.2-177.5-68-64.2000114K550K550-H554 VanDerWaalsContact O-CB 3.3Å; K550-H554 WeakPolarHBondContact O-CB 3.18Å; K550-H554 PolarHBondContact O-CD2 2.79Å; K550-H554 PolarHBondContact O-N 2.93Å
555S48.9Very low47.9Very low28 Ų2875 Ų7520%0.19638%0.38CS..SBendtrans-63.4146.9173.469.20000111.2E551 I552 I553 L557 K562E551-S555 WeakPolarHBondContact O-CA 3.49Å; E551-S555 WeakPolarHBondContact O-CB 3.47Å; E551-S555 PolarHBondContact O-N 3.01Å; I552-S555 PolarHBondContact O-OG 3.36Å; I553-S555 VanDerWaalsContact C-N 3.35Å; S555-L557 PolarHBondContact O-N 3.32Å; S555-L557 WeakPolarHBondContact OG-CB 3.45Å; S555-L557 WeakPolarHBondContact OG-CD1 3.31Å; S555-L557 WeakPolarHBondContact OG-CG 3.47Å; S555-K562 WeakPolarHBondContact O-CE 3.34Å; S555-K562 PolarHBondContact O-NZ 3.08Å
556N45Very low48.6Very low174 Ų17467.1 Ų67.193%0.9334%0.338SS*.  trans-76.520.2171-75.1-14.5000112.8
557L44.9Very low49.2Very low77 Ų7770.7 Ų70.740%0.40335%0.35SS..  trans-68.5143.4-177.9-71.3172.6000111.8S555 K562S555-L557 PolarHBondContact O-N 3.32Å; S555-L557 WeakPolarHBondContact OG-CB 3.45Å; S555-L557 WeakPolarHBondContact OG-CD1 3.31Å; S555-L557 WeakPolarHBondContact OG-CG 3.47Å; L557-K562 HydrophobicContact CB-CG 4.08Å; L557-K562 WeakPolarHBondContact O-CE 3.43Å
558P44.4Very low49.1Very low48 Ų4869.8 Ų69.831%0.31235%0.345SS..  trans-61.7156.8172.8-16.925.1000113H560 Y561 K562 L603P558-H560 PolarHBondContact O-N 2.83Å; P558-Y561 HydrophobicContact CB-CD2 3.78Å; P558-Y561 HydrophobicContact CB-CE2 4.32Å; P558-Y561 HydrophobicContact CG-CD2 3.68Å; P558-Y561 HydrophobicContact CG-CE2 4.04Å; P558-Y561 WeakPolarHBondContact O-CB 3.38Å; P558-Y561 PolarHBondContact O-N 3.15Å; P558-K562 PolarHBondContact O-N 2.86Å; P558-L603 HydrophobicContact CB-CD2 3.62Å; P558-L603 HydrophobicContact CG-CD2 4.26Å
559Y55.4Low49.1Very low35 Ų3565.4 Ų65.414%0.13733%0.325CS..Hα-helixtrans-48.8-50.3-171.6171.7-101.4000114.9Y561 K562 L563 L588 N589 N592Y559-Y561 PolarHBondContact O-N 2.89Å; Y559-K562 PolarHBondContact O-N 3.28Å; Y559-L563 HydrophobicContact CE1-CD2 4.34Å; Y559-L563 PolarHBondContact O-N 2.77Å; Y559-L588 HydrophobicContact CD2-CD2 4.09Å; Y559-L588 VanDerWaalsContact CE2-C 3.49Å; Y559-L588 HydrophobicContact CE2-CB 3.7Å; Y559-L588 HydrophobicContact CE2-CD2 3.94Å; Y559-L588 HydrophobicContact CE2-CG 4.31Å; Y559-L588 WeakPolarHBondContact CE2-O 3.39Å; Y559-L588 PolarHBondContact OH-O 2.71Å; Y559-N589 WeakPolarHBondContact OH-CA 3.39Å; Y559-N589 PolarHBondContact OH-N 3.45Å; Y559-N589 PolarHBondContact OH-OD1 3.3Å; Y559-N592 HydrophobicContact CD1-CB 3.93Å; Y559-N592 WeakPolarHBondContact CD1-ND2 3.44Å; Y559-N592 HydrophobicContact CD2-CB 3.81Å; Y559-N592 HydrophobicContact CE1-CB 3.56Å; Y559-N592 VanDerWaalsContact CE1-CG 3.45Å; Y559-N592 WeakPolarHBondContact CE1-ND2 3.35Å; Y559-N592 HydrophobicContact CE2-CB 3.44Å; Y559-N592 VanDerWaalsContact CE2-CB 3.44Å; Y559-N592 HydrophobicContact CG-CB 4.03Å
560H46.5Very low49.4Very low59 Ų5967.1 Ų67.127%0.27333%0.333SS..Hα-helixtrans-66.1-27-177.416.4-85.4000112.3P558 L563 N564P558-H560 PolarHBondContact O-N 2.83Å; H560-L563 PolarHBondContact O-N 3.03Å; H560-N564 WeakPolarHBondContact O-CB 3.37Å; H560-N564 VanDerWaalsContact O-CG 3.24Å; H560-N564 PolarHBondContact O-N 3.28Å; H560-N564 PolarHBondContact O-ND2 3.33Å
561Y44.6Very low49.4Very low57 Ų5770.4 Ų70.422%0.22435%0.35CS..Hα-helixtrans-71.9-43174.4-68.4-68.5000111.7P558 Y559 L563 N564 A565 Y606 T607P558-Y561 HydrophobicContact CB-CD2 3.78Å; P558-Y561 HydrophobicContact CB-CE2 4.32Å; P558-Y561 HydrophobicContact CG-CD2 3.68Å; P558-Y561 HydrophobicContact CG-CE2 4.04Å; P558-Y561 WeakPolarHBondContact O-CB 3.38Å; P558-Y561 PolarHBondContact O-N 3.15Å; Y559-Y561 PolarHBondContact O-N 2.89Å; Y561-L563 VanDerWaalsContact C-N 3.29Å; Y561-L563 PolarHBondContact O-N 3.45Å; Y561-N564 PolarHBondContact O-N 2.95Å; Y561-A565 VanDerWaalsContact O-CB 3.3Å; Y561-A565 WeakPolarHBondContact O-CB 3.31Å; Y561-A565 PolarHBondContact O-N 3.42Å; Y561-Y606 VanDerWaalsContact CZ-O 3.29Å; Y561-Y606 PolarHBondContact OH-O 3.49Å; Y561-T607 HydrophobicContact CD1-CG2 3.47Å; Y561-T607 VanDerWaalsContact CD1-CG2 3.47Å; Y561-T607 HydrophobicContact CD2-CG2 4.37Å; Y561-T607 HydrophobicContact CE1-CG2 3.16Å; Y561-T607 WeakPolarHBondContact CE1-OG1 3.49Å; Y561-T607 HydrophobicContact CE2-CG2 4.07Å; Y561-T607 HydrophobicContact CG-CG2 4.08Å; Y561-T607 VanDerWaalsContact CZ-CG2 3.45Å; Y561-T607 PolarHBondContact OH-N 3.48Å; Y561-T607 PolarHBondContact OH-OG1 3.13Å
562K48.5Very low49.3Very low39 Ų3967.6 Ų67.617%0.1734%0.338CS..Hα-helixtrans-61.3-40.4172.2-62.5-172.2176.3-173.50111.4I552 I553 S555 L557 P558 Y559 G566 F584 L588I552-K562 HydrophobicContact CG2-CB 4.26Å; I552-K562 HydrophobicContact CG2-CG 4.29Å; I552-K562 VanDerWaalsContact O-CE 3.29Å; I552-K562 WeakPolarHBondContact O-CE 3.36Å; I553-K562 PolarHBondContact O-NZ 3.06Å; S555-K562 WeakPolarHBondContact O-CE 3.34Å; S555-K562 PolarHBondContact O-NZ 3.08Å; L557-K562 HydrophobicContact CB-CG 4.08Å; L557-K562 WeakPolarHBondContact O-CE 3.43Å; P558-K562 PolarHBondContact O-N 2.86Å; Y559-K562 PolarHBondContact O-N 3.28Å; K562-G566 PolarHBondContact O-N 3.32Å; K562-F584 HydrophobicContact CB-CZ 4.28Å; K562-L588 HydrophobicContact CB-CD1 3.89Å; K562-L588 HydrophobicContact CB-CD2 4.27Å
563L54.8Low49.4Very low23 Ų2374.2 Ų74.212%0.1237%0.374CS..Hα-helixtrans-64.5-48.1177.5-164.781.5000112.2Y559 H560 Y561 G566 Y567 I585 L588Y559-L563 HydrophobicContact CE1-CD2 4.34Å; Y559-L563 PolarHBondContact O-N 2.77Å; H560-L563 PolarHBondContact O-N 3.03Å; Y561-L563 VanDerWaalsContact C-N 3.29Å; Y561-L563 PolarHBondContact O-N 3.45Å; L563-G566 WeakPolarHBondContact O-CA 3.24Å; L563-G566 PolarHBondContact O-N 3.07Å; L563-Y567 HydrophobicContact CD1-CE2 4.3Å; L563-Y567 HydrophobicContact CD2-CE2 3.68Å; L563-Y567 HydrophobicContact CG-CD2 4.13Å; L563-Y567 HydrophobicContact CG-CE2 3.56Å; L563-Y567 VanDerWaalsContact O-CD2 3.22Å; L563-Y567 WeakPolarHBondContact O-CD2 3.46Å; L563-Y567 PolarHBondContact O-N 3.45Å; L563-I585 HydrophobicContact CD1-CG2 4.02Å; L563-L588 HydrophobicContact CB-CD1 4.47Å; L563-L588 HydrophobicContact CD1-CB 4.16Å; L563-L588 HydrophobicContact CD1-CD1 4.28Å
564N46.1Very low49.8Very low87 Ų8774.6 Ų74.647%0.46538%0.377SS..Hα-helixtrans-65.4-40.5178.5-75.2-20.2000112.1H560 Y561 G566 Y567 L568H560-N564 WeakPolarHBondContact O-CB 3.37Å; H560-N564 VanDerWaalsContact O-CG 3.24Å; H560-N564 PolarHBondContact O-N 3.28Å; H560-N564 PolarHBondContact O-ND2 3.33Å; Y561-N564 PolarHBondContact O-N 2.95Å; N564-G566 VanDerWaalsContact C-N 3.3Å; N564-G566 PolarHBondContact O-N 3.44Å; N564-Y567 PolarHBondContact O-N 3.15Å; N564-L568 WeakPolarHBondContact O-CG 3.38Å; N564-L568 PolarHBondContact O-N 3.01Å
565A51.2Low50.3Low24 Ų2475 Ų7520%0.19838%0.379CS..Hα-helixtrans-60.6-41.9172.900000111I552 Y561 L568 L569I552-A565 HydrophobicContact CD1-CB 3.92Å; I552-A565 HydrophobicContact CG1-CB 4.38Å; I552-A565 HydrophobicContact CG2-CB 4.2Å; Y561-A565 VanDerWaalsContact O-CB 3.3Å; Y561-A565 WeakPolarHBondContact O-CB 3.31Å; Y561-A565 PolarHBondContact O-N 3.42Å; A565-L568 PolarHBondContact O-N 3.04Å; A565-L569 WeakPolarHBondContact O-CG 3.21Å; A565-L569 PolarHBondContact O-N 3.23Å
566G56Low50.6Low0 Ų079.1 Ų79.10%040%0.399CS..Hα-helixtrans-54.4-54.3170.800000112.4K562 L563 N564 L568 L569 E570 I581K562-G566 PolarHBondContact O-N 3.32Å; L563-G566 WeakPolarHBondContact O-CA 3.24Å; L563-G566 PolarHBondContact O-N 3.07Å; N564-G566 VanDerWaalsContact C-N 3.3Å; N564-G566 PolarHBondContact O-N 3.44Å; G566-L568 VanDerWaalsContact C-N 3.28Å; G566-L568 PolarHBondContact O-N 2.87Å; G566-L569 PolarHBondContact O-N 2.67Å; G566-L569 VanDerWaalsContact O-N 3.16Å; G566-E570 PolarHBondContact O-N 3.22Å; G566-I581 WeakPolarHBondContact O-CG2 3.48Å
567Y50.6Low51.1Low101 Ų10172.4 Ų72.440%0.39636%0.363SS..Hα-helixtrans-60.9-34.3179-71.2-58.5000113.6L563 N564 E570 I585L563-Y567 HydrophobicContact CD1-CE2 4.3Å; L563-Y567 HydrophobicContact CD2-CE2 3.68Å; L563-Y567 HydrophobicContact CG-CD2 4.13Å; L563-Y567 HydrophobicContact CG-CE2 3.56Å; L563-Y567 VanDerWaalsContact O-CD2 3.22Å; L563-Y567 WeakPolarHBondContact O-CD2 3.46Å; L563-Y567 PolarHBondContact O-N 3.45Å; N564-Y567 PolarHBondContact O-N 3.15Å; Y567-E570 PolarHBondContact O-N 3.4Å; Y567-I585 HydrophobicContact CD1-CD1 3.63Å; Y567-I585 HydrophobicContact CE1-CD1 3.82Å; Y567-I585 HydrophobicContact CE1-CG2 3.91Å; Y567-I585 HydrophobicContact CG-CD1 4.23Å
568L46.6Very low51.4Low108 Ų10871.5 Ų71.557%0.56536%0.356SS*.Hα-helixtrans-67.1-42.3176-74.1169.1000111.4N564 A565 G566 E570 Q571N564-L568 WeakPolarHBondContact O-CG 3.38Å; N564-L568 PolarHBondContact O-N 3.01Å; A565-L568 PolarHBondContact O-N 3.04Å; G566-L568 VanDerWaalsContact C-N 3.28Å; G566-L568 PolarHBondContact O-N 2.87Å; L568-E570 VanDerWaalsContact C-N 3.27Å; L568-E570 PolarHBondContact O-N 2.95Å; L568-Q571 WeakPolarHBondContact O-CB 3.21Å; L568-Q571 PolarHBondContact O-N 3.45Å
569L52.6Low52.4Low30 Ų3073.3 Ų73.316%0.15736%0.363CS..Hα-helixtrans-67.3-28.4176.8-68.3174.3000112.2L549 I552 A565 G566 Q571 L572 I581L549-L569 HydrophobicContact CD1-CD1 4.1Å; I552-L569 HydrophobicContact CD1-CD1 3.44Å; I552-L569 VanDerWaalsContact CD1-CD1 3.44Å; I552-L569 HydrophobicContact CD1-CG 4.46Å; A565-L569 WeakPolarHBondContact O-CG 3.21Å; A565-L569 PolarHBondContact O-N 3.23Å; G566-L569 PolarHBondContact O-N 2.67Å; G566-L569 VanDerWaalsContact O-N 3.16Å; L569-Q571 PolarHBondContact O-N 3.03Å; L569-Q571 VanDerWaalsContact O-N 3.15Å; L569-L572 HydrophobicContact CB-CD1 4.43Å; L569-L572 HydrophobicContact CD2-CD1 3.77Å; L569-L572 VanDerWaalsContact O-CB 3.29Å; L569-L572 WeakPolarHBondContact O-CB 3.44Å; L569-L572 VanDerWaalsContact O-CG 3.28Å; L569-L572 WeakPolarHBondContact O-CG 3.15Å; L569-L572 PolarHBondContact O-N 3.02Å; L569-I581 HydrophobicContact CB-CD1 3.45Å; L569-I581 VanDerWaalsContact CB-CD1 3.45Å; L569-I581 HydrophobicContact CB-CG1 4.15Å; L569-I581 VanDerWaalsContact O-CD1 3.32Å; L569-I581 WeakPolarHBondContact O-CD1 3.33Å
570E52Low52.3Low50 Ų5074.4 Ų74.423%0.23437%0.368CS..THydrogen-bonded Turntrans-61.9-22.1178.1-158.4179.7173.500111.8G566 Y567 L568 L572 Q578 I581 Q582G566-E570 PolarHBondContact O-N 3.22Å; Y567-E570 PolarHBondContact O-N 3.4Å; L568-E570 VanDerWaalsContact C-N 3.27Å; L568-E570 PolarHBondContact O-N 2.95Å; E570-L572 PolarHBondContact O-N 3.24Å; E570-Q578 HydrophobicContact CG-CG 4.48Å; E570-Q578 WeakPolarHBondContact O-CG 3.46Å; E570-Q578 PolarHBondContact O-NE2 3.31Å; E570-I581 HydrophobicContact CB-CG2 3.77Å; E570-I581 HydrophobicContact CG-CG2 4.22Å; E570-Q582 WeakPolarHBondContact OE1-CG 3.31Å; E570-Q582 PolarHBondContact OE1-NE2 2.6Å
571Q50.2Low53.1Low152 Ų15271.6 Ų71.671%0.7136%0.355SS*.THydrogen-bonded Turntrans-76.5-4.5177.5-56.8-171-28.200113.5L568 L569L568-Q571 WeakPolarHBondContact O-CB 3.21Å; L568-Q571 PolarHBondContact O-N 3.45Å; L569-Q571 PolarHBondContact O-N 3.03Å; L569-Q571 VanDerWaalsContact O-N 3.15Å
572L48.8Very low54Low76 Ų7673.5 Ų73.540%0.39837%0.366SS..SBendtrans-72.8134.5175-63.5172.9000110.2L569 E570 N574 L577 Q578L569-L572 HydrophobicContact CB-CD1 4.43Å; L569-L572 HydrophobicContact CD2-CD1 3.77Å; L569-L572 VanDerWaalsContact O-CB 3.29Å; L569-L572 WeakPolarHBondContact O-CB 3.44Å; L569-L572 VanDerWaalsContact O-CG 3.28Å; L569-L572 WeakPolarHBondContact O-CG 3.15Å; L569-L572 PolarHBondContact O-N 3.02Å; E570-L572 PolarHBondContact O-N 3.24Å; L572-N574 PolarHBondContact O-N 2.94Å; L572-L577 HydrophobicContact CB-CD2 4.09Å; L572-L577 HydrophobicContact CD1-CD2 3.56Å; L572-L577 HydrophobicContact CG-CD2 4.47Å; L572-Q578 PolarHBondContact O-NE2 2.76Å
573N50.7Low54.8Low169 Ų16975.6 Ų75.690%0.90438%0.379SS*.SBendtrans-75.259.2-179.4-77.3-12.5000112.2
574N58.6Low55.4Low84 Ų8475.5 Ų75.545%0.44938%0.378SS..  trans-140.9103.6174.3-174-37000109.6L572 N576 L577 Q578L572-N574 PolarHBondContact O-N 2.94Å; N574-N576 VanDerWaalsContact C-N 3.31Å; N574-N576 PolarHBondContact O-N 2.98Å; N574-N576 PolarHBondContact OD1-N 3.28Å; N574-L577 HydrophobicContact CB-CB 3.85Å; N574-L577 WeakPolarHBondContact O-CA 3.33Å; N574-L577 WeakPolarHBondContact O-CB 3.28Å; N574-L577 PolarHBondContact O-N 3.23Å; N574-L577 PolarHBondContact OD1-N 3.19Å; N574-Q578 WeakPolarHBondContact O-CG 3.33Å; N574-Q578 PolarHBondContact O-N 2.72Å
575E60.2Low56Low154 Ų15471.8 Ų71.872%0.7236%0.358SS*.Hα-helixtrans-59.4-38.4-171.5-160.7172.5-16500112.9L577 Q578 I579E575-L577 VanDerWaalsContact C-N 3.33Å; E575-L577 PolarHBondContact O-N 3.3Å; E575-Q578 PolarHBondContact O-N 2.79Å; E575-I579 WeakPolarHBondContact O-CG1 3.48Å; E575-I579 PolarHBondContact O-N 3.32Å
576N53.9Low56.7Low114 Ų11476.3 Ų76.361%0.6137%0.373SS*.Hα-helixtrans-66.7-34.3175-78.1-30.6000112.5N574 K580N574-N576 VanDerWaalsContact C-N 3.31Å; N574-N576 PolarHBondContact O-N 2.98Å; N574-N576 PolarHBondContact OD1-N 3.28Å; N576-K580 WeakPolarHBondContact O-CD 3.38Å; N576-K580 WeakPolarHBondContact O-CG 3.23Å; N576-K580 PolarHBondContact O-N 2.85Å
577L55.9Low56.9Low34 Ų3480.9 Ų80.918%0.17840%0.398CS..Hα-helixtrans-71.8-42.6175.2-164.577.8000110.5L572 N574 E575 I579 K580 I581L572-L577 HydrophobicContact CB-CD2 4.09Å; L572-L577 HydrophobicContact CD1-CD2 3.56Å; L572-L577 HydrophobicContact CG-CD2 4.47Å; N574-L577 HydrophobicContact CB-CB 3.85Å; N574-L577 WeakPolarHBondContact O-CA 3.33Å; N574-L577 WeakPolarHBondContact O-CB 3.28Å; N574-L577 PolarHBondContact O-N 3.23Å; N574-L577 PolarHBondContact OD1-N 3.19Å; E575-L577 VanDerWaalsContact C-N 3.33Å; E575-L577 PolarHBondContact O-N 3.3Å; L577-I579 PolarHBondContact O-N 3.49Å; L577-K580 WeakPolarHBondContact O-CB 3.47Å; L577-K580 PolarHBondContact O-N 3.22Å; L577-K580 VanDerWaalsContact O-N 3.15Å; L577-I581 HydrophobicContact CD2-CD1 3.95Å; L577-I581 HydrophobicContact CG-CD1 3.69Å; L577-I581 HydrophobicContact CG-CG1 4.45Å; L577-I581 WeakPolarHBondContact O-CB 3.31Å; L577-I581 WeakPolarHBondContact O-CD1 3.42Å; L577-I581 VanDerWaalsContact O-CG1 3.25Å; L577-I581 WeakPolarHBondContact O-CG1 3.3Å; L577-I581 PolarHBondContact O-N 3Å
578Q51.7Low57.2Low57 Ų5776.9 Ų76.927%0.26638%0.383SS..Hα-helixtrans-58.1-47.1177.3-71.3179.3-6.300112.2E570 L572 N574 E575 K580 I581 Q582E570-Q578 HydrophobicContact CG-CG 4.48Å; E570-Q578 WeakPolarHBondContact O-CG 3.46Å; E570-Q578 PolarHBondContact O-NE2 3.31Å; L572-Q578 PolarHBondContact O-NE2 2.76Å; N574-Q578 WeakPolarHBondContact O-CG 3.33Å; N574-Q578 PolarHBondContact O-N 2.72Å; E575-Q578 PolarHBondContact O-N 2.79Å; Q578-K580 VanDerWaalsContact C-N 3.28Å; Q578-K580 PolarHBondContact O-N 3.29Å; Q578-I581 PolarHBondContact O-N 3.33Å; Q578-Q582 WeakPolarHBondContact O-CB 3.17Å; Q578-Q582 WeakPolarHBondContact O-CG 3.2Å; Q578-Q582 PolarHBondContact O-N 3.26Å
579I65.5Low57.7Low86 Ų8674.3 Ų74.344%0.44137%0.37SS..Hα-helixtrans-59.3-40.3176.8-67.5167.9000111.1E575 L577 Q582 N583E575-I579 WeakPolarHBondContact O-CG1 3.48Å; E575-I579 PolarHBondContact O-N 3.32Å; L577-I579 PolarHBondContact O-N 3.49Å; I579-Q582 PolarHBondContact O-N 2.81Å; I579-N583 PolarHBondContact O-N 3.08Å; I579-N583 PolarHBondContact O-ND2 3.3Å
580K54Low57.9Low59 Ų5977.1 Ų77.126%0.25738%0.382SS..Hα-helixtrans-67.7-40.4177.3-71.6164.4-175.9167.50112.2F543 I544 N576 L577 Q578 N583 F584F543-K580 PolarHBondContact O-NZ 3.1Å; I544-K580 HydrophobicContact CB-CD 4.41Å; I544-K580 HydrophobicContact CD1-CD 3.81Å; I544-K580 HydrophobicContact CD1-CG 4.33Å; I544-K580 HydrophobicContact CG1-CD 3.7Å; I544-K580 HydrophobicContact CG2-CD 4.19Å; N576-K580 WeakPolarHBondContact O-CD 3.38Å; N576-K580 WeakPolarHBondContact O-CG 3.23Å; N576-K580 PolarHBondContact O-N 2.85Å; L577-K580 WeakPolarHBondContact O-CB 3.47Å; L577-K580 PolarHBondContact O-N 3.22Å; L577-K580 VanDerWaalsContact O-N 3.15Å; Q578-K580 VanDerWaalsContact C-N 3.28Å; Q578-K580 PolarHBondContact O-N 3.29Å; K580-N583 PolarHBondContact O-N 3.07Å; K580-F584 WeakPolarHBondContact O-CB 3.33Å; K580-F584 PolarHBondContact O-N 3.21Å
581I62.5Low58Low0 Ų080.4 Ų80.40%040%0.396CS..Hα-helixtrans-66.5-40.5177.2-70.4160.2000110.7L549 G566 L569 E570 L577 Q578 N583 F584 I585L549-I581 HydrophobicContact CD1-CG1 3.86Å; G566-I581 WeakPolarHBondContact O-CG2 3.48Å; L569-I581 HydrophobicContact CB-CD1 3.45Å; L569-I581 VanDerWaalsContact CB-CD1 3.45Å; L569-I581 HydrophobicContact CB-CG1 4.15Å; L569-I581 VanDerWaalsContact O-CD1 3.32Å; L569-I581 WeakPolarHBondContact O-CD1 3.33Å; E570-I581 HydrophobicContact CB-CG2 3.77Å; E570-I581 HydrophobicContact CG-CG2 4.22Å; L577-I581 HydrophobicContact CD2-CD1 3.95Å; L577-I581 HydrophobicContact CG-CD1 3.69Å; L577-I581 HydrophobicContact CG-CG1 4.45Å; L577-I581 WeakPolarHBondContact O-CB 3.31Å; L577-I581 WeakPolarHBondContact O-CD1 3.42Å; L577-I581 VanDerWaalsContact O-CG1 3.25Å; L577-I581 WeakPolarHBondContact O-CG1 3.3Å; L577-I581 PolarHBondContact O-N 3Å; Q578-I581 PolarHBondContact O-N 3.33Å; I581-N583 PolarHBondContact O-N 2.96Å; I581-F584 WeakPolarHBondContact O-CB 3.48Å; I581-F584 PolarHBondContact O-N 3.31Å; I581-I585 HydrophobicContact CG2-CD1 3.69Å; I581-I585 HydrophobicContact CG2-CG1 4.32Å; I581-I585 WeakPolarHBondContact O-CB 3.22Å; I581-I585 VanDerWaalsContact O-CG1 3.26Å; I581-I585 WeakPolarHBondContact O-CG1 3.3Å; I581-I585 PolarHBondContact O-N 3.27Å
582Q63.2Low58Low96 Ų9675.5 Ų75.545%0.44937%0.374SS..Hα-helixtrans-60.1-44.8172.7-75.7179.2-4.400111.7E570 Q578 I579 I585 K586E570-Q582 WeakPolarHBondContact OE1-CG 3.31Å; E570-Q582 PolarHBondContact OE1-NE2 2.6Å; Q578-Q582 WeakPolarHBondContact O-CB 3.17Å; Q578-Q582 WeakPolarHBondContact O-CG 3.2Å; Q578-Q582 PolarHBondContact O-N 3.26Å; I579-Q582 PolarHBondContact O-N 2.81Å; Q582-I585 PolarHBondContact O-N 3.32Å; Q582-K586 VanDerWaalsContact O-CB 3.3Å; Q582-K586 WeakPolarHBondContact O-CB 3.17Å; Q582-K586 PolarHBondContact O-N 3.37Å
583N65.9Low58Low83 Ų8380.8 Ų80.844%0.44439%0.389SS..Hα-helixtrans-64.2-39.2174.8-75.7-27.4000112.1I579 K580 I581 K586 N587I579-N583 PolarHBondContact O-N 3.08Å; I579-N583 PolarHBondContact O-ND2 3.3Å; K580-N583 PolarHBondContact O-N 3.07Å; I581-N583 PolarHBondContact O-N 2.96Å; N583-K586 PolarHBondContact O-N 3.27Å; N583-N587 WeakPolarHBondContact O-CB 3.42Å; N583-N587 PolarHBondContact O-N 3.43Å; N583-N587 PolarHBondContact O-ND2 2.88Å
584F66.7Low57.7Low21 Ų2178.7 Ų78.79%0.09238%0.378CS..Hα-helixtrans-62.4-48.6173.7167.3-108.4000112.1I552 I553 K562 K580 I581 K586 N587 L588I552-F584 HydrophobicContact CG2-CE1 4.39Å; I552-F584 HydrophobicContact CG2-CZ 3.95Å; I553-F584 HydrophobicContact CD1-CD2 4.22Å; I553-F584 HydrophobicContact CD1-CE2 4.28Å; I553-F584 HydrophobicContact CG1-CD2 3.96Å; I553-F584 HydrophobicContact CG1-CE2 3.53Å; I553-F584 HydrophobicContact CG1-CZ 4.36Å; K562-F584 HydrophobicContact CB-CZ 4.28Å; K580-F584 WeakPolarHBondContact O-CB 3.33Å; K580-F584 PolarHBondContact O-N 3.21Å; I581-F584 WeakPolarHBondContact O-CB 3.48Å; I581-F584 PolarHBondContact O-N 3.31Å; F584-K586 VanDerWaalsContact C-N 3.28Å; F584-K586 PolarHBondContact O-N 2.92Å; F584-N587 PolarHBondContact O-N 3.1Å; F584-L588 HydrophobicContact CD1-CD1 4.01Å; F584-L588 HydrophobicContact CD2-CD1 4.34Å; F584-L588 HydrophobicContact CD2-CG 4.22Å; F584-L588 HydrophobicContact CE1-CD1 3.37Å; F584-L588 HydrophobicContact CE1-CG 4.26Å; F584-L588 HydrophobicContact CE2-CD1 3.73Å; F584-L588 HydrophobicContact CE2-CD2 4.25Å; F584-L588 HydrophobicContact CE2-CG 3.77Å; F584-L588 HydrophobicContact CG-CD1 4.48Å; F584-L588 HydrophobicContact CZ-CD1 3.24Å; F584-L588 HydrophobicContact CZ-CD2 4.37Å; F584-L588 HydrophobicContact CZ-CG 3.84Å; F584-L588 WeakPolarHBondContact O-CB 3.46Å; F584-L588 WeakPolarHBondContact O-CG 3.39Å; F584-L588 PolarHBondContact O-N 3.05Å
585I58.8Low56.9Low10 Ų1080.1 Ų80.15%0.05138%0.382CS..Hα-helixtrans-59.6-41.7175.8-70162.9000110.1L563 Y567 I581 Q582 L588 N589L563-I585 HydrophobicContact CD1-CG2 4.02Å; Y567-I585 HydrophobicContact CD1-CD1 3.63Å; Y567-I585 HydrophobicContact CE1-CD1 3.82Å; Y567-I585 HydrophobicContact CE1-CG2 3.91Å; Y567-I585 HydrophobicContact CG-CD1 4.23Å; I581-I585 HydrophobicContact CG2-CD1 3.69Å; I581-I585 HydrophobicContact CG2-CG1 4.32Å; I581-I585 WeakPolarHBondContact O-CB 3.22Å; I581-I585 VanDerWaalsContact O-CG1 3.26Å; I581-I585 WeakPolarHBondContact O-CG1 3.3Å; I581-I585 PolarHBondContact O-N 3.27Å; Q582-I585 PolarHBondContact O-N 3.32Å; I585-L588 PolarHBondContact O-N 3.13Å; I585-N589 WeakPolarHBondContact CG2-ND2 3.2Å; I585-N589 WeakPolarHBondContact O-CB 3.31Å; I585-N589 VanDerWaalsContact O-CG 3.26Å; I585-N589 PolarHBondContact O-N 2.72Å; I585-N589 PolarHBondContact O-ND2 3.42Å
586K65.6Low55.7Low118 Ų11877.4 Ų77.451%0.51337%0.372SS..Hα-helixtrans-61.6-50.4175.3-174.1-176.2174.1-171.20111.4Q582 N583 F584 L588 N589 E590Q582-K586 VanDerWaalsContact O-CB 3.3Å; Q582-K586 WeakPolarHBondContact O-CB 3.17Å; Q582-K586 PolarHBondContact O-N 3.37Å; N583-K586 PolarHBondContact O-N 3.27Å; F584-K586 VanDerWaalsContact C-N 3.28Å; F584-K586 PolarHBondContact O-N 2.92Å; K586-L588 VanDerWaalsContact C-N 3.31Å; K586-L588 PolarHBondContact O-N 3.23Å; K586-N589 PolarHBondContact O-N 3.47Å; K586-E590 WeakPolarHBondContact CE-OE1 3.36Å; K586-E590 WeakPolarHBondContact O-CG 3.36Å; K586-E590 PolarHBondContact O-N 3.36Å
587N60.3Low54.8Low97 Ų9781 Ų8152%0.51938%0.382SS..Hα-helixtrans-62-38.9178.1-71.4-12000111.9N583 F584 E590 F591N583-N587 WeakPolarHBondContact O-CB 3.42Å; N583-N587 PolarHBondContact O-N 3.43Å; N583-N587 PolarHBondContact O-ND2 2.88Å; F584-N587 PolarHBondContact O-N 3.1Å; N587-E590 PolarHBondContact O-N 2.91Å; N587-F591 WeakPolarHBondContact O-CB 3.37Å; N587-F591 PolarHBondContact O-N 3.26Å
588L58.4Low53.7Low17 Ų1786.1 Ų86.19%0.08941%0.405CS..Hα-helixtrans-61.6-50172.7-87.2-176.4000111Y559 K562 L563 F584 I585 K586 E590 F591 N592Y559-L588 HydrophobicContact CD2-CD2 4.09Å; Y559-L588 VanDerWaalsContact CE2-C 3.49Å; Y559-L588 HydrophobicContact CE2-CB 3.7Å; Y559-L588 HydrophobicContact CE2-CD2 3.94Å; Y559-L588 HydrophobicContact CE2-CG 4.31Å; Y559-L588 WeakPolarHBondContact CE2-O 3.39Å; Y559-L588 PolarHBondContact OH-O 2.71Å; K562-L588 HydrophobicContact CB-CD1 3.89Å; K562-L588 HydrophobicContact CB-CD2 4.27Å; L563-L588 HydrophobicContact CB-CD1 4.47Å; L563-L588 HydrophobicContact CD1-CB 4.16Å; L563-L588 HydrophobicContact CD1-CD1 4.28Å; F584-L588 HydrophobicContact CD1-CD1 4.01Å; F584-L588 HydrophobicContact CD2-CD1 4.34Å; F584-L588 HydrophobicContact CD2-CG 4.22Å; F584-L588 HydrophobicContact CE1-CD1 3.37Å; F584-L588 HydrophobicContact CE1-CG 4.26Å; F584-L588 HydrophobicContact CE2-CD1 3.73Å; F584-L588 HydrophobicContact CE2-CD2 4.25Å; F584-L588 HydrophobicContact CE2-CG 3.77Å; F584-L588 HydrophobicContact CG-CD1 4.48Å; F584-L588 HydrophobicContact CZ-CD1 3.24Å; F584-L588 HydrophobicContact CZ-CD2 4.37Å; F584-L588 HydrophobicContact CZ-CG 3.84Å; F584-L588 WeakPolarHBondContact O-CB 3.46Å; F584-L588 WeakPolarHBondContact O-CG 3.39Å; F584-L588 PolarHBondContact O-N 3.05Å; I585-L588 PolarHBondContact O-N 3.13Å; K586-L588 VanDerWaalsContact C-N 3.31Å; K586-L588 PolarHBondContact O-N 3.23Å; L588-E590 VanDerWaalsContact C-N 3.26Å; L588-E590 PolarHBondContact O-N 3.41Å; L588-F591 WeakPolarHBondContact O-CB 3.32Å; L588-F591 PolarHBondContact O-N 3.06Å; L588-F591 VanDerWaalsContact O-N 3.13Å; L588-N592 PolarHBondContact O-N 3.2Å
589N56.5Low52.5Low53 Ų5390.3 Ų90.328%0.28343%0.429SS..Hα-helixtrans-58.5-38176.4-75.7-44.4000112.3Y559 I585 K586 R593Y559-N589 WeakPolarHBondContact OH-CA 3.39Å; Y559-N589 PolarHBondContact OH-N 3.45Å; Y559-N589 PolarHBondContact OH-OD1 3.3Å; I585-N589 WeakPolarHBondContact CG2-ND2 3.2Å; I585-N589 WeakPolarHBondContact O-CB 3.31Å; I585-N589 VanDerWaalsContact O-CG 3.26Å; I585-N589 PolarHBondContact O-N 2.72Å; I585-N589 PolarHBondContact O-ND2 3.42Å; K586-N589 PolarHBondContact O-N 3.47Å; N589-R593 WeakPolarHBondContact O-CB 3.25Å; N589-R593 VanDerWaalsContact O-CG 3.31Å; N589-R593 WeakPolarHBondContact O-CG 3.16Å; N589-R593 PolarHBondContact O-N 3.18Å
590E56.2Low50.7Low89 Ų8993 Ų9342%0.41644%0.443SS..Hα-helixtrans-67.6-43.6172.6-72.5179.3-173.600111.9K586 N587 L588 N592 R593 N594K586-E590 WeakPolarHBondContact CE-OE1 3.36Å; K586-E590 WeakPolarHBondContact O-CG 3.36Å; K586-E590 PolarHBondContact O-N 3.36Å; N587-E590 PolarHBondContact O-N 2.91Å; L588-E590 VanDerWaalsContact C-N 3.26Å; L588-E590 PolarHBondContact O-N 3.41Å; E590-N592 PolarHBondContact O-N 2.89Å; E590-R593 PolarHBondContact O-N 3.44Å; E590-N594 VanDerWaalsContact O-CG 3.27Å; E590-N594 PolarHBondContact O-N 3.4Å; E590-N594 PolarHBondContact O-ND2 3.28Å
591F54.9Low49.4Very low119 Ų11996.7 Ų96.752%0.52246%0.461SS..Hα-helixtrans-59.4-44.9176.1-175.1-97.3000112.3N587 L588 N594 Q595N587-F591 WeakPolarHBondContact O-CB 3.37Å; N587-F591 PolarHBondContact O-N 3.26Å; L588-F591 WeakPolarHBondContact O-CB 3.32Å; L588-F591 PolarHBondContact O-N 3.06Å; L588-F591 VanDerWaalsContact O-N 3.13Å; F591-N594 PolarHBondContact O-N 2.84Å; F591-Q595 HydrophobicContact CD1-CG 4.27Å; F591-Q595 HydrophobicContact CE1-CG 3.87Å; F591-Q595 HydrophobicContact CZ-CG 4.08Å; F591-Q595 PolarHBondContact O-N 3.29Å
592N50.6Low47.6Very low49 Ų49106.8 Ų106.826%0.26250%0.501SS..Hα-helixtrans-69.8-36.2177.3-169.937.3000112.6Y559 L588 E590 N594 Q595 L596Y559-N592 HydrophobicContact CD1-CB 3.93Å; Y559-N592 WeakPolarHBondContact CD1-ND2 3.44Å; Y559-N592 HydrophobicContact CD2-CB 3.81Å; Y559-N592 HydrophobicContact CE1-CB 3.56Å; Y559-N592 VanDerWaalsContact CE1-CG 3.45Å; Y559-N592 WeakPolarHBondContact CE1-ND2 3.35Å; Y559-N592 HydrophobicContact CE2-CB 3.44Å; Y559-N592 VanDerWaalsContact CE2-CB 3.44Å; Y559-N592 HydrophobicContact CG-CB 4.03Å; L588-N592 PolarHBondContact O-N 3.2Å; E590-N592 PolarHBondContact O-N 2.89Å; N592-N594 PolarHBondContact O-N 3.16Å; N592-Q595 PolarHBondContact O-N 3.31Å; N592-L596 VanDerWaalsContact O-CB 3.27Å; N592-L596 WeakPolarHBondContact O-CB 3.35Å; N592-L596 WeakPolarHBondContact O-CD1 3.46Å; N592-L596 WeakPolarHBondContact O-CG 3.45Å; N592-L596 PolarHBondContact O-N 3.46Å
593R48.8Very low45.8Very low187 Ų187106.8 Ų106.871%0.70650%0.504SS*.Hα-helixtrans-61-34.2171.4-78.1-179.3-168.2171.35.6112.2N589 E590N589-R593 WeakPolarHBondContact O-CB 3.25Å; N589-R593 VanDerWaalsContact O-CG 3.31Å; N589-R593 WeakPolarHBondContact O-CG 3.16Å; N589-R593 PolarHBondContact O-N 3.18Å; E590-R593 PolarHBondContact O-N 3.44Å
594N43.2Very low43.8Very low126 Ų126110.1 Ų110.167%0.67452%0.521SS*.Hα-helixtrans-76-35.9177.4-66.9-20.2000112.4E590 F591 N592E590-N594 VanDerWaalsContact O-CG 3.27Å; E590-N594 PolarHBondContact O-N 3.4Å; E590-N594 PolarHBondContact O-ND2 3.28Å; F591-N594 PolarHBondContact O-N 2.84Å; N592-N594 PolarHBondContact O-N 3.16Å
595Q41.3Very low41.8Very low113 Ų113117.9 Ų117.953%0.52855%0.551SS.*Hα-helixtrans-78.3-25.8177.3-79.1-93.3-15.400114.2F591 N592 K597 E598F591-Q595 HydrophobicContact CD1-CG 4.27Å; F591-Q595 HydrophobicContact CE1-CG 3.87Å; F591-Q595 HydrophobicContact CZ-CG 4.08Å; F591-Q595 PolarHBondContact O-N 3.29Å; N592-Q595 PolarHBondContact O-N 3.31Å; Q595-K597 PolarHBondContact O-N 3.33Å; Q595-E598 PolarHBondContact O-N 2.78Å
596L35.1Very low40.2Very low98 Ų98125.8 Ų125.851%0.51358%0.582SS.*THydrogen-bonded Turntrans-61.3-2.3178-88.8162.5000114.2N592N592-L596 VanDerWaalsContact O-CB 3.27Å; N592-L596 WeakPolarHBondContact O-CB 3.35Å; N592-L596 WeakPolarHBondContact O-CD1 3.46Å; N592-L596 WeakPolarHBondContact O-CG 3.45Å; N592-L596 PolarHBondContact O-N 3.46Å
597K35.9Very low38.2Very low190 Ų190124 Ų12483%0.82658%0.581SS**THydrogen-bonded Turntrans-79.3-17.3168.4-78.1-171.4175.9-178.60114.7Q595Q595-K597 PolarHBondContact O-N 3.33Å
598E32.8Very low36.6Very low140 Ų140126.2 Ų126.265%0.65459%0.591SS**THydrogen-bonded Turntrans-126.7-19.4-168.4-82.7-168.9162.700120.6Q595Q595-E598 PolarHBondContact O-N 2.78Å
599N27Very low35.4Very low145 Ų145130.9 Ų130.978%0.77562%0.615SS**  trans-154.2108.9178.4-81.4-55.4000113.9
600I27.3Very low34Very low142 Ų142131.9 Ų131.973%0.72863%0.625SS**  trans-98.3-5.3-175.8-74.2175.6000114
601E27.1Very low32.7Very low137 Ų137136 Ų13664%0.6464%0.641SS**SBendtrans-98.72.2-160.3-98.1-172.4159.700120.6
602Y25.1Very low31.4Very low213 Ų213137.7 Ų137.784%0.83565%0.65SS**  trans-131.213.5-168.2-86.2-77.7000121
603L24.2Very low30.5Very low96 Ų96138.8 Ų138.850%0.50366%0.659SS.*  trans-103.923.8-163.9-80.8160.2000119.5P558P558-L603 HydrophobicContact CB-CD2 3.62Å; P558-L603 HydrophobicContact CG-CD2 4.26Å
604N24.9Very low29.7Very low153 Ų153134.5 Ų134.582%0.81865%0.649SS**  trans-106.329.9-177.9-87.1-8000116.8
605Y23.9Very low28.9Very low184 Ų184133.6 Ų133.672%0.72264%0.643SS**  trans-126.5119.9-179.3-85-78.3000113.3
606Y24.6Very low28.2Very low175 Ų175134.7 Ų134.769%0.68665%0.65SS**  trans77.4124.7160.3-55.7-74.1000120.6Y561Y561-Y606 VanDerWaalsContact CZ-O 3.29Å; Y561-Y606 PolarHBondContact OH-O 3.49Å
607T25.3Very low28.1Very low81 Ų81136.3 Ų136.350%0.49766%0.658SS.*  -151.9106.8124.3440000111.4Y561Y561-T607 HydrophobicContact CD1-CG2 3.47Å; Y561-T607 VanDerWaalsContact CD1-CG2 3.47Å; Y561-T607 HydrophobicContact CD2-CG2 4.37Å; Y561-T607 HydrophobicContact CE1-CG2 3.16Å; Y561-T607 WeakPolarHBondContact CE1-OG1 3.49Å; Y561-T607 HydrophobicContact CE2-CG2 4.07Å; Y561-T607 HydrophobicContact CG-CG2 4.08Å; Y561-T607 VanDerWaalsContact CZ-CG2 3.45Å; Y561-T607 PolarHBondContact OH-N 3.48Å; Y561-T607 PolarHBondContact OH-OG1 3.13Å
608I25.9Very low27.9Very low143 Ų143136.9 Ų136.973%0.73366%0.656SS**  trans-83.3134.1150.5-66.9164.8000105.7
609I32.6Very low27.8Very low115 Ų115140.5 Ų140.559%0.5967%0.674SS**  trans-102.3113166.7-62.5177.7000107.3V613I609-V613 HydrophobicContact CG2-CB 3.84Å; I609-V613 HydrophobicContact CG2-CG1 4.29Å; I609-V613 HydrophobicContact CG2-CG2 4.24Å
610P27.4Very low27.8Very low75 Ų75140.3 Ų140.349%0.48767%0.668SS.*  trans-64141174.5-20.132.4000111.3Q612 V613P610-Q612 PolarHBondContact O-N 2.67Å; P610-V613 PolarHBondContact O-N 3.49Å
611K28.2Very low27.9Very low174 Ų174140.2 Ų140.276%0.75767%0.665SS**Hα-helixtrans-46.3-19.6-179.3-160.7175.4-178.2-178.80115.6L615K611-L615 PolarHBondContact O-N 3.2Å
612Q29.2Very low27.9Very low155 Ų155140.4 Ų140.472%0.72467%0.667SS**Hα-helixtrans-69.2-31.6177.3-74.4168-18.600113.3P610 L615 M616P610-Q612 PolarHBondContact O-N 2.67Å; Q612-L615 PolarHBondContact O-N 3.28Å; Q612-M616 PolarHBondContact O-N 3.23Å
613V30.7Very low28.1Very low73 Ų73136.1 Ų136.144%0.44266%0.657SS.*Hα-helixtrans-73.1-34.1178.8-179.40000111.4I609 P610 L615 M616 I617I609-V613 HydrophobicContact CG2-CB 3.84Å; I609-V613 HydrophobicContact CG2-CG1 4.29Å; I609-V613 HydrophobicContact CG2-CG2 4.24Å; P610-V613 PolarHBondContact O-N 3.49Å; V613-L615 VanDerWaalsContact C-N 3.31Å; V613-L615 PolarHBondContact O-N 2.92Å; V613-M616 PolarHBondContact O-N 3.48Å; V613-I617 HydrophobicContact CG1-CD1 4.24Å; V613-I617 WeakPolarHBondContact O-CG1 3.47Å; V613-I617 PolarHBondContact O-N 3.43Å
614I31.4Very low28.3Very low96 Ų96138.6 Ų138.649%0.49267%0.666SS.*Hα-helixtrans-66.4-35.7176.4-63.6173.9000111.1Y618I614-Y618 HydrophobicContact CG2-CD2 4.44Å; I614-Y618 PolarHBondContact O-N 3.07Å
615L27.2Very low28.5Very low107 Ų107137.7 Ų137.756%0.5666%0.656SS**Hα-helixtrans-72-30.9177.5-83.8158.9000112.7K611 Q612 V613 Q619K611-L615 PolarHBondContact O-N 3.2Å; Q612-L615 PolarHBondContact O-N 3.28Å; V613-L615 VanDerWaalsContact C-N 3.31Å; V613-L615 PolarHBondContact O-N 2.92Å; L615-Q619 PolarHBondContact O-N 3.47Å
616M26.6Very low28.9Very low137 Ų137134.4 Ų134.468%0.67565%0.652SS**Hα-helixtrans-71.1-32.7174.1-84.3-174.670.900113.3Q612 V613 Y618 Q619Q612-M616 PolarHBondContact O-N 3.23Å; V613-M616 PolarHBondContact O-N 3.48Å; M616-Y618 VanDerWaalsContact C-N 3.28Å; M616-Y618 PolarHBondContact O-N 3.38Å; M616-Q619 VanDerWaalsContact O-OXT 3.12Å
617I32.4Very low29.2Very low132 Ų132131.2 Ų131.268%0.67765%0.649SS**Hα-helixtrans-73.2-24.6178.3-66166.7000111.6V613V613-I617 HydrophobicContact CG1-CD1 4.24Å; V613-I617 WeakPolarHBondContact O-CG1 3.47Å; V613-I617 PolarHBondContact O-N 3.43Å
618Y32.6Very low29.5Very low201 Ų201135.4 Ų135.479%0.78866%0.662SS**Hα-helixtrans-85.1-18.1178.8-104.5-76.6000114.1I614 M616I614-Y618 HydrophobicContact CG2-CD2 4.44Å; I614-Y618 PolarHBondContact O-N 3.07Å; M616-Y618 VanDerWaalsContact C-N 3.28Å; M616-Y618 PolarHBondContact O-N 3.38Å
619Q30.3Very low29.9Very low217 Ų217134.7 Ų134.7100%1.01466%0.655SS**  trans-91.20174.1-74.4-176-25.900109.8L615 M616L615-Q619 PolarHBondContact O-N 3.47Å; M616-Q619 VanDerWaalsContact O-OXT 3.12Å

Retrieved 619 of 619 residues in 226.2 ms (Link to these results)

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