A0A5K4F0S7_SCHMA Loading...

LINES_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F0S7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 473 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.4Very low73.4Confident169 Ų16994.5 Ų94.583%0.83344%0.444SS*.  0-52.70-78.9-160.4178.600114.1H3 N4 R5M1-H3 PolarHBondContact O-N 3.23Å; M1-N4 PolarHBondContact O-N 3.28Å; M1-R5 PolarHBondContact O-N 2.77Å; M1-R5 VanDerWaalsContact O-N 3.1Å
2N58.9Low74.5Confident131 Ų13194.1 Ų94.170%0.70144%0.437SS*.Hα-helixtrans-59.7-38.9-175.9-75-5.4000114.1L6N2-L6 WeakPolarHBondContact O-CB 3.23Å; N2-L6 PolarHBondContact O-N 3.06Å
3H61.4Low75.6Confident160 Ų16094.7 Ų94.774%0.74144%0.444SS*.Hα-helixtrans-65.8-41.4176.4-69.8-11.1000113.3M1 L6 S7M1-H3 PolarHBondContact O-N 3.23Å; H3-L6 PolarHBondContact O-N 2.91Å; H3-S7 WeakPolarHBondContact O-CB 3.4Å; H3-S7 PolarHBondContact O-N 3.49Å; H3-S7 PolarHBondContact O-OG 3.22Å
4N67.2Low76.3Confident55 Ų5590.8 Ų90.829%0.29443%0.428SS..Hα-helixtrans-64.7-42.7177.4-77.7-9.3000112.4M1 S7 S8 K68M1-N4 PolarHBondContact O-N 3.28Å; N4-S7 PolarHBondContact O-OG 2.97Å; N4-S7 VanDerWaalsContact O-OG 3.06Å; N4-S8 WeakPolarHBondContact O-CB 3.35Å; N4-S8 PolarHBondContact O-N 2.71Å; N4-K68 HydrophobicContact CB-CD 4.07Å; N4-K68 PolarHBondContact OD1-NZ 2.93Å
5R71.2Confident77Confident151 Ų15187.7 Ų87.757%0.5741%0.411SS*.Hα-helixtrans-63.8-49.7175.1-73.1-175.8177.4178.8-1.3109.8M1 S7 S8 H9M1-R5 PolarHBondContact O-N 2.77Å; M1-R5 VanDerWaalsContact O-N 3.1Å; R5-S7 PolarHBondContact O-N 2.77Å; R5-S8 WeakPolarHBondContact O-CB 3.35Å; R5-S8 PolarHBondContact O-N 3.07Å; R5-H9 PolarHBondContact O-N 3.44Å; R5-H9 PolarHBondContact O-ND1 3.09Å
6L78.8Confident77.6Confident87 Ų8786.6 Ų86.646%0.45541%0.408SS..Hα-helixtrans-60.3-45.1-178.6-174.366.4000112N2 H3 H9 Y10N2-L6 WeakPolarHBondContact O-CB 3.23Å; N2-L6 PolarHBondContact O-N 3.06Å; H3-L6 PolarHBondContact O-N 2.91Å; L6-H9 PolarHBondContact O-N 3.14Å; L6-Y10 HydrophobicContact CD1-CD2 4.17Å; L6-Y10 HydrophobicContact CD1-CE2 3.56Å; L6-Y10 HydrophobicContact CD2-CE2 3.82Å; L6-Y10 HydrophobicContact CG-CD2 3.81Å; L6-Y10 HydrophobicContact CG-CE2 3.36Å; L6-Y10 WeakPolarHBondContact O-CD2 3.25Å; L6-Y10 PolarHBondContact O-N 3.09Å
7S81.6Confident78.1Confident16 Ų1685.9 Ų85.911%0.11241%0.407CS..Hα-helixtrans-64.3-42177.770.50000112.1H3 N4 R5 H9 Y10 A11 K68H3-S7 WeakPolarHBondContact O-CB 3.4Å; H3-S7 PolarHBondContact O-N 3.49Å; H3-S7 PolarHBondContact O-OG 3.22Å; N4-S7 PolarHBondContact O-OG 2.97Å; N4-S7 VanDerWaalsContact O-OG 3.06Å; R5-S7 PolarHBondContact O-N 2.77Å; S7-H9 PolarHBondContact O-N 3.42Å; S7-Y10 PolarHBondContact O-N 3.04Å; S7-A11 PolarHBondContact O-N 3.36Å; S7-K68 WeakPolarHBondContact OG-CE 3.26Å
8S83.1Confident78.4Confident8 Ų881.2 Ų81.26%0.05639%0.385CS..Hα-helixtrans-58.8-45.1174171.90000111.8N4 R5 A11 Y12 H71N4-S8 WeakPolarHBondContact O-CB 3.35Å; N4-S8 PolarHBondContact O-N 2.71Å; R5-S8 WeakPolarHBondContact O-CB 3.35Å; R5-S8 PolarHBondContact O-N 3.07Å; S8-A11 PolarHBondContact O-N 3.46Å; S8-Y12 PolarHBondContact O-N 2.9Å; S8-H71 PolarHBondContact O-ND1 3.41Å; S8-H71 PolarHBondContact OG-ND1 3.42Å
9H85.4Confident78.6Confident111 Ų11179.2 Ų79.251%0.51438%0.376SS..Hα-helixtrans-66.8-39.1177.5-72.669.8000111.7R5 L6 S7 Y12 L13R5-H9 PolarHBondContact O-N 3.44Å; R5-H9 PolarHBondContact O-ND1 3.09Å; L6-H9 PolarHBondContact O-N 3.14Å; S7-H9 PolarHBondContact O-N 3.42Å; H9-Y12 PolarHBondContact O-N 3.36Å; H9-L13 WeakPolarHBondContact O-CB 3.42Å; H9-L13 VanDerWaalsContact O-CG 3.24Å; H9-L13 WeakPolarHBondContact O-CG 2.95Å; H9-L13 PolarHBondContact O-N 3.22Å
10Y85.8Confident78.7Confident146 Ų14682.6 Ų82.657%0.57339%0.385SS*.Hα-helixtrans-62.9-43.2174.9-78.8-55.3000112.4L6 S7 Y12 L13 L14L6-Y10 HydrophobicContact CD1-CD2 4.17Å; L6-Y10 HydrophobicContact CD1-CE2 3.56Å; L6-Y10 HydrophobicContact CD2-CE2 3.82Å; L6-Y10 HydrophobicContact CG-CD2 3.81Å; L6-Y10 HydrophobicContact CG-CE2 3.36Å; L6-Y10 WeakPolarHBondContact O-CD2 3.25Å; L6-Y10 PolarHBondContact O-N 3.09Å; S7-Y10 PolarHBondContact O-N 3.04Å; Y10-Y12 VanDerWaalsContact C-N 3.33Å; Y10-Y12 PolarHBondContact O-N 2.72Å; Y10-L13 PolarHBondContact O-N 3.07Å; Y10-L14 WeakPolarHBondContact O-CB 3.16Å; Y10-L14 PolarHBondContact O-N 3.24Å
11A85.7Confident78.6Confident5 Ų579.2 Ų79.24%0.04137%0.37CS..Hα-helixtrans-60.2-45.8176.100000111.1S7 S8 L14 Y15 H71 F72 L75S7-A11 PolarHBondContact O-N 3.36Å; S8-A11 PolarHBondContact O-N 3.46Å; A11-L14 PolarHBondContact O-N 3.23Å; A11-Y15 WeakPolarHBondContact O-CB 3.31Å; A11-Y15 PolarHBondContact O-N 2.8Å; A11-H71 HydrophobicContact CB-CB 4.33Å; A11-F72 HydrophobicContact CB-CD1 3.93Å; A11-F72 HydrophobicContact CB-CD2 4.06Å; A11-F72 HydrophobicContact CB-CE1 3.81Å; A11-F72 HydrophobicContact CB-CE2 3.92Å; A11-F72 HydrophobicContact CB-CG 4.06Å; A11-F72 HydrophobicContact CB-CZ 3.79Å; A11-L75 HydrophobicContact CB-CD2 4.03Å
12Y86.9Confident79.7Confident90 Ų9073.8 Ų73.835%0.35334%0.342SS..Hα-helixtrans-65.4-40.5177.8-171.6-118.1000113.2S8 H9 Y10 L14 Y15 L16 H71S8-Y12 PolarHBondContact O-N 2.9Å; H9-Y12 PolarHBondContact O-N 3.36Å; Y10-Y12 VanDerWaalsContact C-N 3.33Å; Y10-Y12 PolarHBondContact O-N 2.72Å; Y12-L14 VanDerWaalsContact C-N 3.33Å; Y12-L14 PolarHBondContact O-N 3.19Å; Y12-Y15 AromaticContact CD2-CD1 3.86Å; Y12-Y15 HydrophobicContact CD2-CD1 3.86Å; Y12-Y15 AromaticContact CE2-CD1 3.82Å; Y12-Y15 HydrophobicContact CE2-CD1 3.82Å; Y12-Y15 HydrophobicContact CE2-CE1 4.05Å; Y12-Y15 WeakPolarHBondContact O-CB 3.41Å; Y12-Y15 PolarHBondContact O-N 3.12Å; Y12-L16 HydrophobicContact CD1-CD1 3.93Å; Y12-L16 HydrophobicContact CD1-CG 4.4Å; Y12-L16 HydrophobicContact CE1-CD1 3.53Å; Y12-L16 HydrophobicContact CE1-CG 4.08Å; Y12-L16 HydrophobicContact CE2-CD2 4.45Å; Y12-L16 HydrophobicContact CE2-CG 4.37Å; Y12-L16 WeakPolarHBondContact O-CG 3.14Å; Y12-L16 PolarHBondContact O-N 2.78Å; Y12-H71 AromaticContact CD2-CD2 3.65Å; Y12-H71 AromaticContact CD2-NE2 3.88Å; Y12-H71 AromaticContact CG-NE2 4Å
13L88Confident80.6Confident102 Ų10273.7 Ų73.753%0.53434%0.338SS..Hα-helixtrans-63.6-39.6174.9-75.1170.7000111.8H9 Y10 L16 L17H9-L13 WeakPolarHBondContact O-CB 3.42Å; H9-L13 VanDerWaalsContact O-CG 3.24Å; H9-L13 WeakPolarHBondContact O-CG 2.95Å; H9-L13 PolarHBondContact O-N 3.22Å; Y10-L13 PolarHBondContact O-N 3.07Å; L13-L16 PolarHBondContact O-N 3.27Å; L13-L17 WeakPolarHBondContact O-CB 3.21Å; L13-L17 PolarHBondContact O-N 3.4Å
14L86Confident80.9Confident40 Ų4068.9 Ų68.921%0.20932%0.317CS..Hα-helixtrans-66.8-40.5175.9-175.561.2000111.3Y10 A11 Y12 L17 L18 L38 L75Y10-L14 WeakPolarHBondContact O-CB 3.16Å; Y10-L14 PolarHBondContact O-N 3.24Å; A11-L14 PolarHBondContact O-N 3.23Å; Y12-L14 VanDerWaalsContact C-N 3.33Å; Y12-L14 PolarHBondContact O-N 3.19Å; L14-L17 HydrophobicContact CD1-CD2 4.35Å; L14-L17 WeakPolarHBondContact O-CB 3.2Å; L14-L17 PolarHBondContact O-N 3.48Å; L14-L18 WeakPolarHBondContact O-CG 3.03Å; L14-L18 PolarHBondContact O-N 3.11Å; L14-L38 HydrophobicContact CD1-CD1 4.29Å; L14-L38 HydrophobicContact CD1-CD2 3.87Å; L14-L75 HydrophobicContact CB-CD1 3.95Å; L14-L75 HydrophobicContact CD2-CD1 3.69Å; L14-L75 HydrophobicContact CD2-CD2 3.98Å; L14-L75 HydrophobicContact CD2-CG 4.47Å; L14-L75 HydrophobicContact CG-CD1 3.63Å
15Y86.7Confident80.7Confident44 Ų4469.7 Ų69.717%0.17332%0.324CS..Hα-helixtrans-57.2-51.8171.7164.2-107.2000111.9A11 Y12 L17 L18 L19 L74 Q78A11-Y15 WeakPolarHBondContact O-CB 3.31Å; A11-Y15 PolarHBondContact O-N 2.8Å; Y12-Y15 AromaticContact CD2-CD1 3.86Å; Y12-Y15 HydrophobicContact CD2-CD1 3.86Å; Y12-Y15 AromaticContact CE2-CD1 3.82Å; Y12-Y15 HydrophobicContact CE2-CD1 3.82Å; Y12-Y15 HydrophobicContact CE2-CE1 4.05Å; Y12-Y15 WeakPolarHBondContact O-CB 3.41Å; Y12-Y15 PolarHBondContact O-N 3.12Å; Y15-L17 VanDerWaalsContact C-N 3.28Å; Y15-L17 PolarHBondContact O-N 3.16Å; Y15-L18 PolarHBondContact O-N 2.97Å; Y15-L19 HydrophobicContact CD1-CD1 4.18Å; Y15-L19 HydrophobicContact CD2-CD1 4.4Å; Y15-L19 HydrophobicContact CD2-CG 4.43Å; Y15-L19 HydrophobicContact CE1-CD1 3.53Å; Y15-L19 HydrophobicContact CE2-CD1 3.77Å; Y15-L19 HydrophobicContact CE2-CD2 4.44Å; Y15-L19 HydrophobicContact CE2-CG 3.97Å; Y15-L19 PolarHBondContact O-N 3.06Å; Y15-L19 WeakPolarHBondContact OH-CD1 3.43Å; Y15-L74 HydrophobicContact CD1-CB 4.49Å; Y15-L74 HydrophobicContact CD2-CB 3.96Å; Y15-L74 WeakPolarHBondContact CD2-O 3.3Å; Y15-L74 HydrophobicContact CE1-CB 4.49Å; Y15-L74 HydrophobicContact CE1-CD1 4.28Å; Y15-L74 HydrophobicContact CE2-CB 3.99Å; Y15-L74 HydrophobicContact CE2-CD2 4.45Å; Y15-L74 HydrophobicContact CG-CB 4.21Å; Y15-Q78 HydrophobicContact CD2-CB 3.59Å; Y15-Q78 HydrophobicContact CD2-CG 3.95Å; Y15-Q78 HydrophobicContact CE2-CB 3.89Å; Y15-Q78 HydrophobicContact CE2-CG 4.23Å
16L86.7Confident80.1Confident70 Ų7069.9 Ų69.937%0.36634%0.336SS..Hα-helixtrans-61.1-36.9177.1-71.2178.7000112.5Y12 L13 L19 R20Y12-L16 HydrophobicContact CD1-CD1 3.93Å; Y12-L16 HydrophobicContact CD1-CG 4.4Å; Y12-L16 HydrophobicContact CE1-CD1 3.53Å; Y12-L16 HydrophobicContact CE1-CG 4.08Å; Y12-L16 HydrophobicContact CE2-CD2 4.45Å; Y12-L16 HydrophobicContact CE2-CG 4.37Å; Y12-L16 WeakPolarHBondContact O-CG 3.14Å; Y12-L16 PolarHBondContact O-N 2.78Å; L13-L16 PolarHBondContact O-N 3.27Å; L16-L19 HydrophobicContact CD2-CD1 4.46Å; L16-R20 VanDerWaalsContact O-CB 3.31Å; L16-R20 WeakPolarHBondContact O-CB 3.44Å; L16-R20 PolarHBondContact O-N 3.03Å
17L85.7Confident79.1Confident76 Ų7671.4 Ų71.440%0.39835%0.345SS..Hα-helixtrans-63.2-47.9175.5179.965000110.9L13 L14 Y15 R20 I21 L38L13-L17 WeakPolarHBondContact O-CB 3.21Å; L13-L17 PolarHBondContact O-N 3.4Å; L14-L17 HydrophobicContact CD1-CD2 4.35Å; L14-L17 WeakPolarHBondContact O-CB 3.2Å; L14-L17 PolarHBondContact O-N 3.48Å; Y15-L17 VanDerWaalsContact C-N 3.28Å; Y15-L17 PolarHBondContact O-N 3.16Å; L17-R20 PolarHBondContact O-N 3.32Å; L17-I21 HydrophobicContact CD1-CD1 4.2Å; L17-I21 HydrophobicContact CD1-CG1 4.4Å; L17-I21 HydrophobicContact CG-CD1 3.93Å; L17-I21 WeakPolarHBondContact O-CG1 3.21Å; L17-I21 PolarHBondContact O-N 3.47Å; L17-L38 HydrophobicContact CD2-CD1 3.95Å
18L83.3Confident78.2Confident1 Ų175.3 Ų75.31%0.00537%0.365CS..Hα-helixtrans-61-45.6178.1-70.9172.2000111.6L14 Y15 R20 I21 E22 L35 L38 Y39 L75 Q78 L79L14-L18 WeakPolarHBondContact O-CG 3.03Å; L14-L18 PolarHBondContact O-N 3.11Å; Y15-L18 PolarHBondContact O-N 2.97Å; L18-R20 VanDerWaalsContact C-N 3.31Å; L18-R20 PolarHBondContact O-N 3.22Å; L18-I21 PolarHBondContact O-N 3.23Å; L18-E22 WeakPolarHBondContact O-CB 3.39Å; L18-E22 PolarHBondContact O-N 2.97Å; L18-L35 HydrophobicContact CD2-CD2 3.77Å; L18-L38 HydrophobicContact CD2-CD1 4.15Å; L18-Y39 HydrophobicContact CD2-CE1 4.34Å; L18-L75 HydrophobicContact CD1-CD1 3.94Å; L18-Q78 HydrophobicContact CB-CG 3.57Å; L18-Q78 HydrophobicContact CD1-CG 4.08Å; L18-Q78 HydrophobicContact CG-CG 4.49Å; L18-L79 HydrophobicContact CD1-CB 4.45Å; L18-L79 HydrophobicContact CD1-CD1 4.01Å
19L82.1Confident77.3Confident42 Ų4284 Ų8422%0.2240%0.401CS..Hα-helixtrans-57.1-45.2173.8-79.4177.6000112Y15 L16 I21 E22 Q23 Q78Y15-L19 HydrophobicContact CD1-CD1 4.18Å; Y15-L19 HydrophobicContact CD2-CD1 4.4Å; Y15-L19 HydrophobicContact CD2-CG 4.43Å; Y15-L19 HydrophobicContact CE1-CD1 3.53Å; Y15-L19 HydrophobicContact CE2-CD1 3.77Å; Y15-L19 HydrophobicContact CE2-CD2 4.44Å; Y15-L19 HydrophobicContact CE2-CG 3.97Å; Y15-L19 PolarHBondContact O-N 3.06Å; Y15-L19 WeakPolarHBondContact OH-CD1 3.43Å; L16-L19 HydrophobicContact CD2-CD1 4.46Å; L19-I21 VanDerWaalsContact C-N 3.3Å; L19-I21 PolarHBondContact O-N 2.98Å; L19-E22 PolarHBondContact O-N 3.38Å; L19-Q23 WeakPolarHBondContact O-CG 3.49Å; L19-Q23 PolarHBondContact O-N 3.43Å; L19-Q78 VanDerWaalsContact CD2-OE1 3.31Å; L19-Q78 HydrophobicContact CG-CG 4.45Å
20R81Confident76.3Confident148 Ų14885.1 Ų85.156%0.55841%0.409SS*.Hα-helixtrans-66.7-35-179.6-173.358174.7-176.80.1111.7L16 L17 L18 N24L16-R20 VanDerWaalsContact O-CB 3.31Å; L16-R20 WeakPolarHBondContact O-CB 3.44Å; L16-R20 PolarHBondContact O-N 3.03Å; L17-R20 PolarHBondContact O-N 3.32Å; L18-R20 VanDerWaalsContact C-N 3.31Å; L18-R20 PolarHBondContact O-N 3.22Å; R20-N24 PolarHBondContact NE-ND2 3.4Å; R20-N24 PolarHBondContact O-N 3.02Å; R20-N24 PolarHBondContact O-ND2 3.02Å
21I76.8Confident75.5Confident11 Ų1178.9 Ų78.96%0.05639%0.386CS..Hα-helixtrans-67.5-44.3175.7-65.5164.2000110.1L17 L18 L19 Q23 N24 V25 P31 I34 L35 L38L17-I21 HydrophobicContact CD1-CD1 4.2Å; L17-I21 HydrophobicContact CD1-CG1 4.4Å; L17-I21 HydrophobicContact CG-CD1 3.93Å; L17-I21 WeakPolarHBondContact O-CG1 3.21Å; L17-I21 PolarHBondContact O-N 3.47Å; L18-I21 PolarHBondContact O-N 3.23Å; L19-I21 VanDerWaalsContact C-N 3.3Å; L19-I21 PolarHBondContact O-N 2.98Å; I21-Q23 VanDerWaalsContact C-N 3.35Å; I21-Q23 PolarHBondContact O-N 3.22Å; I21-N24 CarbonylContact O-C 3.6Å; I21-N24 PolarHBondContact O-N 2.93Å; I21-V25 PolarHBondContact O-N 2.82Å; I21-P31 HydrophobicContact CG2-CB 3.66Å; I21-I34 HydrophobicContact CD1-CB 4.39Å; I21-I34 HydrophobicContact CD1-CG2 3.65Å; I21-L35 HydrophobicContact CB-CD2 4.17Å; I21-L35 HydrophobicContact CD1-CD2 3.83Å; I21-L35 HydrophobicContact CD1-CG 4.36Å; I21-L35 HydrophobicContact CG2-CD1 3.69Å; I21-L35 HydrophobicContact CG2-CD2 3.76Å; I21-L35 HydrophobicContact CG2-CG 3.62Å; I21-L38 HydrophobicContact CD1-CD1 4.1Å
22E72.3Confident74.8Confident55 Ų5583.9 Ų83.926%0.25741%0.407SS..Hα-helixtrans-59.4-42.7177.9-169.5-176167.500112.5L18 L19 N24 V25 Q78 K85L18-E22 WeakPolarHBondContact O-CB 3.39Å; L18-E22 PolarHBondContact O-N 2.97Å; L19-E22 PolarHBondContact O-N 3.38Å; E22-N24 PolarHBondContact O-N 2.89Å; E22-V25 WeakPolarHBondContact O-CG2 3.33Å; E22-V25 PolarHBondContact O-N 2.79Å; E22-Q78 PolarHBondContact OE2-NE2 2.96Å; E22-K85 WeakPolarHBondContact OE1-CE 3.29Å; E22-K85 IonicContact OE1-NZ 3.8Å; E22-K85 PolarHBondContact OE1-NZ 3.3Å
23Q76.4Confident74.1Confident129 Ų12985.9 Ų85.960%0.60342%0.418SS*.Hα-helixtrans-64.1-24.6175.1-71.1173.7-1.100113.5L19 I21L19-Q23 WeakPolarHBondContact O-CG 3.49Å; L19-Q23 PolarHBondContact O-N 3.43Å; I21-Q23 VanDerWaalsContact C-N 3.35Å; I21-Q23 PolarHBondContact O-N 3.22Å
24N69.2Low73.4Confident59 Ų5983.3 Ų83.332%0.31640%0.404SS..THydrogen-bonded Turntrans-103.313.4-176.2-70.8-48.8000113.5R20 I21 E22 N26 N27R20-N24 PolarHBondContact NE-ND2 3.4Å; R20-N24 PolarHBondContact O-N 3.02Å; R20-N24 PolarHBondContact O-ND2 3.02Å; I21-N24 CarbonylContact O-C 3.6Å; I21-N24 PolarHBondContact O-N 2.93Å; E22-N24 PolarHBondContact O-N 2.89Å; N24-N26 PolarHBondContact O-N 3.12Å; N24-N27 PolarHBondContact O-N 2.95Å
25V61.1Low72.9Confident72 Ų7282 Ų8244%0.43640%0.397SS..THydrogen-bonded Turntrans-55.1-24.3-177.5170.20000113I21 E22 N27I21-V25 PolarHBondContact O-N 2.82Å; E22-V25 WeakPolarHBondContact O-CG2 3.33Å; E22-V25 PolarHBondContact O-N 2.79Å; V25-N27 PolarHBondContact O-N 3.11Å; V25-N27 VanDerWaalsContact O-N 3.1Å
26N59.9Low72.3Confident155 Ų15582.6 Ų82.683%0.82940%0.401SS*.THydrogen-bonded Turntrans-60.2-19174.3-66.6-12.2000114.2N24N24-N26 PolarHBondContact O-N 3.12Å
27N57.4Low71.8Confident119 Ų11982.3 Ų82.364%0.63640%0.4SS*.SBendtrans-95.289.3173.3-79.3-21.1000110.2N24 V25 K29 P31N24-N27 PolarHBondContact O-N 2.95Å; V25-N27 PolarHBondContact O-N 3.11Å; V25-N27 VanDerWaalsContact O-N 3.1Å; N27-K29 PolarHBondContact O-N 3.21Å; N27-K29 VanDerWaalsContact O-N 3.1Å; N27-P31 WeakPolarHBondContact O-CD 3.18Å; N27-P31 WeakPolarHBondContact O-CG 3.33Å
28D61.8Low71.3Confident99 Ų9980.4 Ų80.453%0.52939%0.39SS..  trans-57.6-29.9-156.9-98.8-47.2000119.4K32D28-K32 WeakPolarHBondContact O-CD 3.16Å; D28-K32 VanDerWaalsContact O-CE 3.25Å; D28-K32 WeakPolarHBondContact O-CE 3.33Å; D28-K32 VanDerWaalsContact O-CG 3.3Å; D28-K32 WeakPolarHBondContact O-CG 2.82Å; D28-K32 WeakPolarHBondContact OD1-CE 3.46Å; D28-K32 IonicContact OD1-NZ 3.67Å; D28-K32 PolarHBondContact OD1-NZ 3.49Å
29K65.4Low70.9Confident189 Ų18980.4 Ų80.482%0.82239%0.39SS*.SBendtrans-98.1-42.9-164.1-68.9-172.8179.8-179.10115.4N27 F33N27-K29 PolarHBondContact O-N 3.21Å; N27-K29 VanDerWaalsContact O-N 3.1Å; K29-F33 PolarHBondContact O-N 2.86Å
30M64.5Low70.5Confident135 Ų13581.1 Ų81.167%0.66539%0.394SS*.Hα-helixtrans-77.2-44.3-172.9-155.9-120.3-17400113.7K32 F33 I34M30-K32 PolarHBondContact O-N 2.94Å; M30-F33 PolarHBondContact O-N 2.78Å; M30-I34 HydrophobicContact CE-CD1 3.68Å; M30-I34 HydrophobicContact CG-CD1 4.33Å; M30-I34 WeakPolarHBondContact O-CG1 2.94Å; M30-I34 PolarHBondContact O-N 3.35Å; M30-I34 VanDerWaalsContact O-N 3.1Å; M30-I34 HydrophobicContact SD-CD1 3.5Å; M30-I34 VanDerWaalsContact SD-CD1 3.5Å
31P68.7Low70.2Confident15 Ų1581 Ų8110%0.09740%0.398CS..Hα-helixtrans-48.1-50.7167.9-34.342.5000113.6I21 N27 F33 I34 L35I21-P31 HydrophobicContact CG2-CB 3.66Å; N27-P31 WeakPolarHBondContact O-CD 3.18Å; N27-P31 WeakPolarHBondContact O-CG 3.33Å; P31-F33 PolarHBondContact O-N 3.34Å; P31-I34 PolarHBondContact O-N 3.24Å; P31-L35 WeakPolarHBondContact O-CB 3.42Å; P31-L35 VanDerWaalsContact O-CG 3.29Å; P31-L35 WeakPolarHBondContact O-CG 3.01Å; P31-L35 PolarHBondContact O-N 3.1Å
32K70.3Confident70.1Confident110 Ų11081.1 Ų81.148%0.47840%0.399SS..Hα-helixtrans-61.9-43.8-176-67.4-177.4-167.3167.80111.8D28 M30 L35 Q36D28-K32 WeakPolarHBondContact O-CD 3.16Å; D28-K32 VanDerWaalsContact O-CE 3.25Å; D28-K32 WeakPolarHBondContact O-CE 3.33Å; D28-K32 VanDerWaalsContact O-CG 3.3Å; D28-K32 WeakPolarHBondContact O-CG 2.82Å; D28-K32 WeakPolarHBondContact OD1-CE 3.46Å; D28-K32 IonicContact OD1-NZ 3.67Å; D28-K32 PolarHBondContact OD1-NZ 3.49Å; M30-K32 PolarHBondContact O-N 2.94Å; K32-L35 PolarHBondContact O-N 3.2Å; K32-Q36 VanDerWaalsContact O-CB 3.26Å; K32-Q36 WeakPolarHBondContact O-CB 3.24Å; K32-Q36 PolarHBondContact O-N 2.9Å
33F72.3Confident70.1Confident132 Ų13279 Ų7958%0.57939%0.39SS*.Hα-helixtrans-66.2-40.5177.4-176.3-101.8000112.7K29 M30 P31 N37K29-F33 PolarHBondContact O-N 2.86Å; M30-F33 PolarHBondContact O-N 2.78Å; P31-F33 PolarHBondContact O-N 3.34Å; F33-N37 VanDerWaalsContact CD1-ND2 3.33Å; F33-N37 WeakPolarHBondContact CD1-ND2 3.43Å; F33-N37 WeakPolarHBondContact CE1-ND2 3.45Å; F33-N37 WeakPolarHBondContact CZ-ND2 3.4Å; F33-N37 PolarHBondContact O-N 2.86Å; F33-N37 VanDerWaalsContact O-N 3.1Å; F33-N37 PolarHBondContact O-ND2 3.34Å
34I74.5Confident69.9Low49 Ų4977.2 Ų77.225%0.25138%0.377SS..Hα-helixtrans-65.3-48.2176.7-66.5171.1000110.4I21 M30 P31 Q36 N37 L38I21-I34 HydrophobicContact CD1-CB 4.39Å; I21-I34 HydrophobicContact CD1-CG2 3.65Å; M30-I34 HydrophobicContact CE-CD1 3.68Å; M30-I34 HydrophobicContact CG-CD1 4.33Å; M30-I34 WeakPolarHBondContact O-CG1 2.94Å; M30-I34 PolarHBondContact O-N 3.35Å; M30-I34 VanDerWaalsContact O-N 3.1Å; M30-I34 HydrophobicContact SD-CD1 3.5Å; M30-I34 VanDerWaalsContact SD-CD1 3.5Å; P31-I34 PolarHBondContact O-N 3.24Å; I34-Q36 VanDerWaalsContact C-N 3.34Å; I34-Q36 PolarHBondContact O-N 3.26Å; I34-N37 PolarHBondContact O-N 3.42Å; I34-L38 HydrophobicContact CG2-CD1 3.88Å; I34-L38 HydrophobicContact CG2-CG 4.27Å; I34-L38 WeakPolarHBondContact O-CG 3.39Å; I34-L38 PolarHBondContact O-N 3.46Å
35L74.5Confident70.4Confident12 Ų1277.3 Ų77.36%0.06338%0.378CS..Hα-helixtrans-58.5-46.7177.6-70.9173.7000111.2L18 I21 P31 K32 N37 L38 Y39 I88L18-L35 HydrophobicContact CD2-CD2 3.77Å; I21-L35 HydrophobicContact CB-CD2 4.17Å; I21-L35 HydrophobicContact CD1-CD2 3.83Å; I21-L35 HydrophobicContact CD1-CG 4.36Å; I21-L35 HydrophobicContact CG2-CD1 3.69Å; I21-L35 HydrophobicContact CG2-CD2 3.76Å; I21-L35 HydrophobicContact CG2-CG 3.62Å; P31-L35 WeakPolarHBondContact O-CB 3.42Å; P31-L35 VanDerWaalsContact O-CG 3.29Å; P31-L35 WeakPolarHBondContact O-CG 3.01Å; P31-L35 PolarHBondContact O-N 3.1Å; K32-L35 PolarHBondContact O-N 3.2Å; L35-N37 VanDerWaalsContact C-N 3.32Å; L35-N37 PolarHBondContact O-N 3.38Å; L35-L38 PolarHBondContact O-N 3.48Å; L35-L38 VanDerWaalsContact O-N 3.16Å; L35-Y39 HydrophobicContact CB-CD2 4.35Å; L35-Y39 HydrophobicContact CB-CE2 3.79Å; L35-Y39 HydrophobicContact CD2-CE1 4.4Å; L35-Y39 WeakPolarHBondContact O-CB 3.26Å; L35-Y39 WeakPolarHBondContact O-CD2 3.33Å; L35-Y39 PolarHBondContact O-N 3.45Å; L35-I88 HydrophobicContact CB-CD1 3.83Å
36Q74.4Confident71.5Confident56 Ų5676.9 Ų76.926%0.26237%0.37SS..Hα-helixtrans-57.7-44.2178.2-173.8177.81.100111.8K32 I34 Y39 D40 I88 L90K32-Q36 VanDerWaalsContact O-CB 3.26Å; K32-Q36 WeakPolarHBondContact O-CB 3.24Å; K32-Q36 PolarHBondContact O-N 2.9Å; I34-Q36 VanDerWaalsContact C-N 3.34Å; I34-Q36 PolarHBondContact O-N 3.26Å; Q36-Y39 PolarHBondContact O-N 3.1Å; Q36-D40 VanDerWaalsContact O-CB 3.27Å; Q36-D40 WeakPolarHBondContact O-CB 3.42Å; Q36-D40 PolarHBondContact O-N 2.96Å; Q36-I88 HydrophobicContact CB-CD1 4.31Å; Q36-I88 HydrophobicContact CB-CG2 4.38Å; Q36-I88 HydrophobicContact CG-CG2 4.24Å; Q36-L90 HydrophobicContact CG-CD2 4.18Å; Q36-L90 HydrophobicContact CG-CG 4.25Å
37N75.4Confident72.7Confident65 Ų6578.2 Ų78.235%0.34837%0.365SS..Hα-helixtrans-68.4-37.4177-76.3-57.6000113.1F33 I34 L35 K41F33-N37 VanDerWaalsContact CD1-ND2 3.33Å; F33-N37 WeakPolarHBondContact CD1-ND2 3.43Å; F33-N37 WeakPolarHBondContact CE1-ND2 3.45Å; F33-N37 WeakPolarHBondContact CZ-ND2 3.4Å; F33-N37 PolarHBondContact O-N 2.86Å; F33-N37 VanDerWaalsContact O-N 3.1Å; F33-N37 PolarHBondContact O-ND2 3.34Å; I34-N37 PolarHBondContact O-N 3.42Å; L35-N37 VanDerWaalsContact C-N 3.32Å; L35-N37 PolarHBondContact O-N 3.38Å; N37-K41 WeakPolarHBondContact O-CG 3.35Å; N37-K41 PolarHBondContact O-N 3.11Å
38L76Confident74.1Confident35 Ų3575.4 Ų75.418%0.18335%0.349CS..Hα-helixtrans-63.9-46175.7-74.4174.3000110.4L14 L17 L18 I21 I34 L35 K41 C42L14-L38 HydrophobicContact CD1-CD1 4.29Å; L14-L38 HydrophobicContact CD1-CD2 3.87Å; L17-L38 HydrophobicContact CD2-CD1 3.95Å; L18-L38 HydrophobicContact CD2-CD1 4.15Å; I21-L38 HydrophobicContact CD1-CD1 4.1Å; I34-L38 HydrophobicContact CG2-CD1 3.88Å; I34-L38 HydrophobicContact CG2-CG 4.27Å; I34-L38 WeakPolarHBondContact O-CG 3.39Å; I34-L38 PolarHBondContact O-N 3.46Å; L35-L38 PolarHBondContact O-N 3.48Å; L35-L38 VanDerWaalsContact O-N 3.16Å; L38-K41 PolarHBondContact O-N 3.45Å; L38-C42 WeakPolarHBondContact O-CB 3.27Å; L38-C42 PolarHBondContact O-N 3.24Å; L38-C42 PolarHBondContact O-SG 3.5Å; L38-C42 VanDerWaalsContact O-SG 3.37Å
39Y75.8Confident75.2Confident1 Ų170.7 Ų70.70%0.00432%0.324CS..Hα-helixtrans-68.7-40.5178.8-57.8-27.3000112.5L18 L35 Q36 K41 C42 L43 L79 S82 L83 S86 I88L18-Y39 HydrophobicContact CD2-CE1 4.34Å; L35-Y39 HydrophobicContact CB-CD2 4.35Å; L35-Y39 HydrophobicContact CB-CE2 3.79Å; L35-Y39 HydrophobicContact CD2-CE1 4.4Å; L35-Y39 WeakPolarHBondContact O-CB 3.26Å; L35-Y39 WeakPolarHBondContact O-CD2 3.33Å; L35-Y39 PolarHBondContact O-N 3.45Å; Q36-Y39 PolarHBondContact O-N 3.1Å; Y39-K41 VanDerWaalsContact C-N 3.25Å; Y39-K41 PolarHBondContact O-N 2.78Å; Y39-C42 PolarHBondContact O-N 2.92Å; Y39-L43 VanDerWaalsContact O-CB 3.24Å; Y39-L43 WeakPolarHBondContact O-CB 3.36Å; Y39-L43 PolarHBondContact O-N 3.12Å; Y39-L79 HydrophobicContact CD1-CD1 4.03Å; Y39-L79 HydrophobicContact CE1-CD1 3.93Å; Y39-S82 WeakPolarHBondContact OH-CB 3.34Å; Y39-S82 PolarHBondContact OH-O 2.94Å; Y39-S82 VanDerWaalsContact OH-O 3.11Å; Y39-L83 HydrophobicContact CD1-CD2 3.49Å; Y39-L83 VanDerWaalsContact CD1-CD2 3.49Å; Y39-L83 HydrophobicContact CD1-CG 4.33Å; Y39-L83 HydrophobicContact CD2-CD2 3.6Å; Y39-L83 HydrophobicContact CE1-CD2 3.67Å; Y39-L83 HydrophobicContact CE1-CG 4.15Å; Y39-L83 HydrophobicContact CE2-CD2 3.78Å; Y39-L83 HydrophobicContact CG-CD2 3.45Å; Y39-L83 VanDerWaalsContact CG-CD2 3.45Å; Y39-L83 PolarHBondContact OH-N 3.22Å; Y39-S86 VanDerWaalsContact CE2-OG 3.28Å; Y39-S86 WeakPolarHBondContact CE2-OG 3.42Å; Y39-S86 PolarHBondContact OH-OG 3.16Å; Y39-I88 HydrophobicContact CD2-CD1 3.72Å; Y39-I88 HydrophobicContact CE2-CD1 3.55Å; Y39-I88 HydrophobicContact CE2-CG1 4.28Å
40D72.5Confident76.2Confident58 Ų5866.3 Ų66.331%0.3131%0.306SS..Hα-helixtrans-58.2-41.1176.2-170.751.1000111Q36 R44 L90 L92Q36-D40 VanDerWaalsContact O-CB 3.27Å; Q36-D40 WeakPolarHBondContact O-CB 3.42Å; Q36-D40 PolarHBondContact O-N 2.96Å; D40-R44 WeakPolarHBondContact O-CB 3.37Å; D40-R44 VanDerWaalsContact O-CG 3.31Å; D40-R44 WeakPolarHBondContact O-CG 3.22Å; D40-R44 PolarHBondContact O-N 2.88Å; D40-R44 WeakPolarHBondContact OD1-CD 3.45Å; D40-R44 IonicContact OD1-CZ 3.88Å; D40-R44 IonicContact OD1-NE 2.78Å; D40-R44 PolarHBondContact OD1-NE 3.18Å; D40-L90 HydrophobicContact CB-CD2 4.24Å; D40-L92 WeakPolarHBondContact OD1-CD2 3.15Å
41K75Confident77.2Confident146 Ų14664.3 Ų64.364%0.63529%0.292SS*.Hα-helixtrans-71.5-48.8175.6-72.4-178.5178.8-176.40113.1N37 L38 Y39 D45N37-K41 WeakPolarHBondContact O-CG 3.35Å; N37-K41 PolarHBondContact O-N 3.11Å; L38-K41 PolarHBondContact O-N 3.45Å; Y39-K41 VanDerWaalsContact C-N 3.25Å; Y39-K41 PolarHBondContact O-N 2.78Å; K41-D45 WeakPolarHBondContact O-CB 3.33Å; K41-D45 PolarHBondContact O-N 3.37Å
42C74.9Confident78.1Confident12 Ų1263.9 Ų63.98%0.08129%0.289CS..Hα-helixtrans-69.4-43.7-175.8-71.70000111.8L38 Y39 L49L38-C42 WeakPolarHBondContact O-CB 3.27Å; L38-C42 PolarHBondContact O-N 3.24Å; L38-C42 PolarHBondContact O-SG 3.5Å; L38-C42 VanDerWaalsContact O-SG 3.37Å; Y39-C42 PolarHBondContact O-N 2.92Å; C42-L49 WeakPolarHBondContact O-CG 3.41Å
43L72.9Confident78.8Confident10 Ų1058.9 Ų58.95%0.05227%0.267CS..Hα-helixtrans-83.3-30.4-174.4-64.2177.9000113.8Y39 D45 L49 L83 F103 Y147Y39-L43 VanDerWaalsContact O-CB 3.24Å; Y39-L43 WeakPolarHBondContact O-CB 3.36Å; Y39-L43 PolarHBondContact O-N 3.12Å; L43-D45 VanDerWaalsContact C-N 3.35Å; L43-L49 HydrophobicContact CD2-CD1 3.99Å; L43-L49 HydrophobicContact CD2-CD2 4.23Å; L43-L83 HydrophobicContact CD1-CD1 4.17Å; L43-L83 HydrophobicContact CD1-CD2 3.75Å; L43-L83 HydrophobicContact CD2-CD1 4.12Å; L43-F103 WeakPolarHBondContact O-CZ 3.24Å; L43-Y147 HydrophobicContact CD2-CD1 3.9Å; L43-Y147 HydrophobicContact CD2-CE1 4.34Å
44R71.6Confident79.3Confident92 Ų9256.5 Ų56.535%0.34726%0.258SS..Hα-helixtrans-74.8-28.3174.7-72.4-178.2172.5-99.6-9.5112.9D40 K46 L92 N93 G94 M154D40-R44 WeakPolarHBondContact O-CB 3.37Å; D40-R44 VanDerWaalsContact O-CG 3.31Å; D40-R44 WeakPolarHBondContact O-CG 3.22Å; D40-R44 PolarHBondContact O-N 2.88Å; D40-R44 WeakPolarHBondContact OD1-CD 3.45Å; D40-R44 IonicContact OD1-CZ 3.88Å; D40-R44 IonicContact OD1-NE 2.78Å; D40-R44 PolarHBondContact OD1-NE 3.18Å; R44-K46 PolarHBondContact O-N 3.41Å; R44-L92 HydrophobicContact CG-CD2 4.41Å; R44-N93 PolarHBondContact NH2-O 2.61Å; R44-G94 PolarHBondContact NH2-O 2.85Å; R44-M154 HydrophobicContact CG-CE 3.79Å
45D79.6Confident79.8Confident61 Ų6154.5 Ų54.533%0.32625%0.248SC..  trans-89.295.6-177.5-164.5-18.1000110.4K41 L43 Y47 I48 L49K41-D45 WeakPolarHBondContact O-CB 3.33Å; K41-D45 PolarHBondContact O-N 3.37Å; L43-D45 VanDerWaalsContact C-N 3.35Å; D45-Y47 PolarHBondContact O-N 2.91Å; D45-Y47 VanDerWaalsContact O-N 3.11Å; D45-Y47 WeakPolarHBondContact OD1-CA 3.48Å; D45-Y47 VanDerWaalsContact OD1-CB 3.22Å; D45-Y47 WeakPolarHBondContact OD1-CB 3.47Å; D45-Y47 WeakPolarHBondContact OD1-CD2 3.42Å; D45-Y47 PolarHBondContact OD1-N 2.88Å; D45-I48 HydrophobicContact CB-CB 4.02Å; D45-I48 HydrophobicContact CB-CD1 3.72Å; D45-I48 HydrophobicContact CB-CG1 3.78Å; D45-I48 PolarHBondContact O-N 2.88Å; D45-I48 PolarHBondContact OD1-N 3.31Å; D45-I48 WeakPolarHBondContact OD2-CG1 3.44Å; D45-L49 PolarHBondContact O-N 2.89Å; D45-L49 VanDerWaalsContact O-N 3.12Å
46K83.6Confident80Confident63 Ų6354 Ų5427%0.27425%0.245SC..Hα-helixtrans-48.8-35.5171.6178.9-179.1174.2-173.50111.7R44 H50 D100 D102 F103 L106R44-K46 PolarHBondContact O-N 3.41Å; K46-H50 WeakPolarHBondContact O-CB 3.09Å; K46-H50 PolarHBondContact O-N 3.48Å; K46-D100 IonicContact NZ-OD1 3.13Å; K46-D100 IonicContact NZ-OD2 2.99Å; K46-D102 VanDerWaalsContact CE-CB 3.41Å; K46-D102 IonicContact NZ-OD2 3.63Å; K46-D102 PolarHBondContact NZ-OD2 2.97Å; K46-F103 HydrophobicContact CB-CD2 3.98Å; K46-F103 HydrophobicContact CB-CE2 4.4Å; K46-F103 HydrophobicContact CG-CD2 4.07Å; K46-L106 HydrophobicContact CG-CD2 3.87Å; K46-L106 WeakPolarHBondContact O-CD2 3.26Å
47Y86.3Confident80.1Confident184 Ų18452.1 Ų52.172%0.72224%0.238SC*.Hα-helixtrans-69.1-38.2178.5-62.9-78.8000112.2D45 Y51D45-Y47 PolarHBondContact O-N 2.91Å; D45-Y47 VanDerWaalsContact O-N 3.11Å; D45-Y47 WeakPolarHBondContact OD1-CA 3.48Å; D45-Y47 VanDerWaalsContact OD1-CB 3.22Å; D45-Y47 WeakPolarHBondContact OD1-CB 3.47Å; D45-Y47 WeakPolarHBondContact OD1-CD2 3.42Å; D45-Y47 PolarHBondContact OD1-N 2.88Å; Y47-Y51 WeakPolarHBondContact O-CB 3.44Å; Y47-Y51 PolarHBondContact O-N 3.47Å
48I85.6Confident79.8Confident60 Ų6052.1 Ų52.131%0.30824%0.236SC..Hα-helixtrans-66.6-47.9177.2-66.6176.3000110.3D45 Y51 I52D45-I48 HydrophobicContact CB-CB 4.02Å; D45-I48 HydrophobicContact CB-CD1 3.72Å; D45-I48 HydrophobicContact CB-CG1 3.78Å; D45-I48 PolarHBondContact O-N 2.88Å; D45-I48 PolarHBondContact OD1-N 3.31Å; D45-I48 WeakPolarHBondContact OD2-CG1 3.44Å; I48-Y51 PolarHBondContact O-N 3.41Å; I48-I52 HydrophobicContact CG2-CD1 3.91Å; I48-I52 HydrophobicContact CG2-CG1 4.48Å; I48-I52 WeakPolarHBondContact O-CG1 3.45Å; I48-I52 PolarHBondContact O-N 2.99Å
49L84.5Confident79Confident0 Ų054.6 Ų54.60%025%0.252CS..Hα-helixtrans-62.9-44.1177.9-83.8168.8000111.9C42 L43 D45 Y51 I52 L53 F103 L106 I107 I110 Y147C42-L49 WeakPolarHBondContact O-CG 3.41Å; L43-L49 HydrophobicContact CD2-CD1 3.99Å; L43-L49 HydrophobicContact CD2-CD2 4.23Å; D45-L49 PolarHBondContact O-N 2.89Å; D45-L49 VanDerWaalsContact O-N 3.12Å; L49-Y51 VanDerWaalsContact C-N 3.29Å; L49-Y51 PolarHBondContact O-N 3.15Å; L49-I52 PolarHBondContact O-N 3.42Å; L49-L53 WeakPolarHBondContact O-CB 3.37Å; L49-L53 PolarHBondContact O-N 2.89Å; L49-F103 HydrophobicContact CD1-CE2 3.62Å; L49-F103 HydrophobicContact CD1-CZ 3.92Å; L49-L106 HydrophobicContact CB-CD2 3.58Å; L49-L106 HydrophobicContact CB-CG 4.17Å; L49-I107 HydrophobicContact CD1-CD1 4.31Å; L49-I110 HydrophobicContact CD2-CD1 3.5Å; L49-I110 VanDerWaalsContact CD2-CD1 3.5Å; L49-Y147 HydrophobicContact CD2-CD1 4.35Å; L49-Y147 HydrophobicContact CD2-CE1 3.97Å
50H86.5Confident77.9Confident97 Ų9760 Ų6045%0.44928%0.28SS..Hα-helixtrans-60.7-42.4176.1-176.672.9000111.2K46 L53 E54 L106K46-H50 WeakPolarHBondContact O-CB 3.09Å; K46-H50 PolarHBondContact O-N 3.48Å; H50-L53 PolarHBondContact O-N 3.41Å; H50-E54 VanDerWaalsContact O-CB 3.31Å; H50-E54 WeakPolarHBondContact O-CB 3.32Å; H50-E54 PolarHBondContact O-N 3.29Å; H50-L106 HydrophobicContact CB-CD1 4.2Å; H50-L106 HydrophobicContact CB-CD2 4.16Å
51Y86.6Confident76.8Confident93 Ų9362.9 Ų62.937%0.36529%0.292SS..Hα-helixtrans-63.9-47.3176.2-174.5-102.2000111.7Y47 I48 L49 L53 E54 Q55 F72Y47-Y51 WeakPolarHBondContact O-CB 3.44Å; Y47-Y51 PolarHBondContact O-N 3.47Å; I48-Y51 PolarHBondContact O-N 3.41Å; L49-Y51 VanDerWaalsContact C-N 3.29Å; L49-Y51 PolarHBondContact O-N 3.15Å; Y51-L53 VanDerWaalsContact C-N 3.28Å; Y51-L53 PolarHBondContact O-N 2.86Å; Y51-E54 PolarHBondContact O-N 3.2Å; Y51-Q55 HydrophobicContact CD1-CG 3.88Å; Y51-Q55 HydrophobicContact CD2-CG 4.11Å; Y51-Q55 HydrophobicContact CE1-CG 3.56Å; Y51-Q55 HydrophobicContact CE2-CG 3.8Å; Y51-Q55 VanDerWaalsContact CE2-NE2 3.32Å; Y51-Q55 HydrophobicContact CG-CG 4.15Å; Y51-Q55 WeakPolarHBondContact O-CB 3.24Å; Y51-Q55 WeakPolarHBondContact O-CG 3.45Å; Y51-Q55 PolarHBondContact O-N 2.89Å; Y51-F72 HydrophobicContact CD1-CE1 4.25Å; Y51-F72 HydrophobicContact CD1-CZ 4.44Å; Y51-F72 HydrophobicContact CE1-CE1 4.04Å; Y51-F72 AromaticContact CE1-CZ 3.78Å; Y51-F72 HydrophobicContact CE1-CZ 3.78Å
52I86.6Confident75.7Confident6 Ų662.1 Ų62.13%0.03130%0.302CS..Hα-helixtrans-56.5-45.3176.1-69.5167.2000110.5I48 L49 S56 F72 L75 L76I48-I52 HydrophobicContact CG2-CD1 3.91Å; I48-I52 HydrophobicContact CG2-CG1 4.48Å; I48-I52 WeakPolarHBondContact O-CG1 3.45Å; I48-I52 PolarHBondContact O-N 2.99Å; L49-I52 PolarHBondContact O-N 3.42Å; I52-S56 WeakPolarHBondContact O-CB 3.4Å; I52-S56 PolarHBondContact O-N 2.93Å; I52-S56 PolarHBondContact O-OG 2.89Å; I52-F72 HydrophobicContact CG1-CD1 4.42Å; I52-F72 HydrophobicContact CG1-CE1 4.44Å; I52-F72 HydrophobicContact CG2-CD1 4.47Å; I52-L75 HydrophobicContact CD1-CD2 4.31Å; I52-L75 HydrophobicContact CG1-CD2 4.41Å; I52-L76 HydrophobicContact CG2-CB 4.3Å; I52-L76 HydrophobicContact CG2-CD1 4.43Å
53L85.5Confident74.4Confident5 Ų567.3 Ų67.33%0.02633%0.328CS..Hα-helixtrans-60.7-53.2177.5179.567.5000111.4L49 H50 Y51 Q55 S56 C57 L106 D109 L113L49-L53 WeakPolarHBondContact O-CB 3.37Å; L49-L53 PolarHBondContact O-N 2.89Å; H50-L53 PolarHBondContact O-N 3.41Å; Y51-L53 VanDerWaalsContact C-N 3.28Å; Y51-L53 PolarHBondContact O-N 2.86Å; L53-Q55 VanDerWaalsContact C-N 3.33Å; L53-Q55 PolarHBondContact O-N 3.47Å; L53-S56 WeakPolarHBondContact O-CB 3.44Å; L53-S56 PolarHBondContact O-N 2.83Å; L53-C57 WeakPolarHBondContact O-CB 3.33Å; L53-C57 PolarHBondContact O-N 3.02Å; L53-L106 HydrophobicContact CB-CD1 4.4Å; L53-L106 HydrophobicContact CD2-CD1 3.63Å; L53-D109 HydrophobicContact CD2-CB 3.69Å; L53-L113 HydrophobicContact CD1-CB 4.25Å; L53-L113 HydrophobicContact CD1-CD2 3.53Å
54E84Confident73.4Confident82 Ų8273.5 Ų73.538%0.38336%0.36SS..Hα-helixtrans-57.7-45.1180-171-164.2168.500111.6H50 Y51 S56 C57 Q58H50-E54 VanDerWaalsContact O-CB 3.31Å; H50-E54 WeakPolarHBondContact O-CB 3.32Å; H50-E54 PolarHBondContact O-N 3.29Å; Y51-E54 PolarHBondContact O-N 3.2Å; E54-S56 PolarHBondContact O-N 2.66Å; E54-C57 PolarHBondContact O-N 2.9Å; E54-Q58 WeakPolarHBondContact O-CG 3.29Å; E54-Q58 PolarHBondContact O-N 3.19Å
55Q83.7Confident72.7Confident7 Ų771.2 Ų71.23%0.03336%0.355CS..Hα-helixtrans-68.1-33.5179.4-63.3-44.6-64.400112.8Y51 L53 C57 Q58 F72Y51-Q55 HydrophobicContact CD1-CG 3.88Å; Y51-Q55 HydrophobicContact CD2-CG 4.11Å; Y51-Q55 HydrophobicContact CE1-CG 3.56Å; Y51-Q55 HydrophobicContact CE2-CG 3.8Å; Y51-Q55 VanDerWaalsContact CE2-NE2 3.32Å; Y51-Q55 HydrophobicContact CG-CG 4.15Å; Y51-Q55 WeakPolarHBondContact O-CB 3.24Å; Y51-Q55 WeakPolarHBondContact O-CG 3.45Å; Y51-Q55 PolarHBondContact O-N 2.89Å; L53-Q55 VanDerWaalsContact C-N 3.33Å; L53-Q55 PolarHBondContact O-N 3.47Å; Q55-C57 PolarHBondContact O-N 3.43Å; Q55-Q58 VanDerWaalsContact OE1-CD 3.27Å; Q55-F72 HydrophobicContact CB-CB 4.17Å; Q55-F72 HydrophobicContact CB-CD1 3.68Å; Q55-F72 HydrophobicContact CB-CD2 3.48Å; Q55-F72 VanDerWaalsContact CB-CD2 3.48Å; Q55-F72 HydrophobicContact CB-CE1 3.85Å; Q55-F72 HydrophobicContact CB-CE2 3.68Å; Q55-F72 HydrophobicContact CB-CG 3.5Å; Q55-F72 VanDerWaalsContact CB-CG 3.5Å; Q55-F72 HydrophobicContact CB-CZ 3.86Å; Q55-F72 HydrophobicContact CG-CD1 4.34Å; Q55-F72 HydrophobicContact CG-CD2 4.23Å; Q55-F72 HydrophobicContact CG-CE1 3.99Å; Q55-F72 HydrophobicContact CG-CE2 3.9Å; Q55-F72 HydrophobicContact CG-CG 4.46Å; Q55-F72 HydrophobicContact CG-CZ 3.77Å
56S79.8Confident71.9Confident2 Ų270.8 Ų70.81%0.01436%0.357CS..Hα-helixtrans-69-17.1175.4-57.70000113.1I52 L53 E54 F72 Q73I52-S56 WeakPolarHBondContact O-CB 3.4Å; I52-S56 PolarHBondContact O-N 2.93Å; I52-S56 PolarHBondContact O-OG 2.89Å; L53-S56 WeakPolarHBondContact O-CB 3.44Å; L53-S56 PolarHBondContact O-N 2.83Å; E54-S56 PolarHBondContact O-N 2.66Å; S56-F72 PolarHBondContact OG-O 2.75Å; S56-Q73 PolarHBondContact O-NE2 3.48Å
57C75.1Confident71.4Confident15 Ų1574 Ų7410%0.10137%0.374CS..THydrogen-bonded Turntrans-115.56.1-172.4-730000114L53 E54 Q55 T59 L113 V207 N208L53-C57 WeakPolarHBondContact O-CB 3.33Å; L53-C57 PolarHBondContact O-N 3.02Å; E54-C57 PolarHBondContact O-N 2.9Å; Q55-C57 PolarHBondContact O-N 3.43Å; C57-T59 PolarHBondContact O-N 3.33Å; C57-L113 WeakPolarHBondContact SG-CD2 3.36Å; C57-V207 HydrophobicContact CB-CG1 3.23Å; C57-N208 HydrophobicContact CB-CB 3.96Å; C57-N208 PolarHBondContact O-ND2 3.29Å
58Q69.2Low70.9Confident65 Ų6565.5 Ų65.530%0.30434%0.342SS..  trans-57.9140.8179-62.7-164.6-38.500110.5E54 Q55 I60 I69E54-Q58 WeakPolarHBondContact O-CG 3.29Å; E54-Q58 PolarHBondContact O-N 3.19Å; Q55-Q58 VanDerWaalsContact OE1-CD 3.27Å; Q58-I60 PolarHBondContact O-N 2.95Å; Q58-I69 HydrophobicContact CB-CD1 4.16Å; Q58-I69 HydrophobicContact CB-CG1 4.1Å; Q58-I69 WeakPolarHBondContact O-CD1 3.49Å
59T59.4Low70.5Confident87 Ų8763 Ų6353%0.53433%0.329SS..  trans-63.9127.6168.848.50000108.5C57 E61C57-T59 PolarHBondContact O-N 3.33Å; T59-E61 VanDerWaalsContact C-N 3.31Å; T59-E61 PolarHBondContact O-N 3.25Å
60I54Low70.2Confident115 Ų11566.6 Ų66.659%0.5935%0.348SS*.  trans-61.198171.7-57.4168.3000106.8Q58 I69Q58-I60 PolarHBondContact O-N 2.95Å; I60-I69 HydrophobicContact CB-CD1 4.38Å; I60-I69 HydrophobicContact CG1-CD1 3.56Å
61E49.6Very low70Confident119 Ų11963.5 Ų63.556%0.55633%0.334SS*.  trans-63.8137.3160-74.3-176168.600107.1T59 I63T59-E61 VanDerWaalsContact C-N 3.31Å; T59-E61 PolarHBondContact O-N 3.25Å; E61-I63 PolarHBondContact O-N 3.45Å
62P50Low70Confident130 Ų13059.4 Ų59.484%0.84432%0.318SS*.THydrogen-bonded Turntrans-64.34.2-172.523.5-33000115
63I49.2Very low69.9Low121 Ų12161.5 Ų61.562%0.62133%0.327SS*.THydrogen-bonded Turntrans-117.990.9-174.4-47.8174.1000108.5E61 N65E61-I63 PolarHBondContact O-N 3.45Å; I63-N65 VanDerWaalsContact C-N 3.34Å; I63-N65 PolarHBondContact O-N 3.44Å
64D50.6Low69.8Low139 Ų13963.8 Ų63.874%0.74334%0.339SS*.THydrogen-bonded Turntrans60.77.1161.6-77.8-16.1000120.6
65N56.6Low70Confident44 Ų4460 Ų6024%0.23532%0.322CS..  trans-91.65.3178.4-74.6-32.7000114.9I63 M67 K68I63-N65 VanDerWaalsContact C-N 3.34Å; I63-N65 PolarHBondContact O-N 3.44Å; N65-M67 PolarHBondContact O-N 3.47Å; N65-K68 WeakPolarHBondContact O-CB 3.39Å; N65-K68 PolarHBondContact O-N 2.77Å
66S64Low70.1Confident53 Ų5359.7 Ų59.737%0.37132%0.32SS..Hα-helixtrans-57.9-49.2-177.756.50000112.7K68 I69 D70S66-K68 PolarHBondContact O-N 3.39Å; S66-I69 PolarHBondContact O-N 3.45Å; S66-I69 VanDerWaalsContact O-N 3.08Å; S66-D70 PolarHBondContact O-N 2.87Å
67M72.2Confident70.3Confident129 Ų12960.6 Ų60.664%0.63533%0.325SS*.Hα-helixtrans-58.9-29-178.2-62.1-171.6-150.400113.5N65 H71N65-M67 PolarHBondContact O-N 3.47Å; M67-H71 WeakPolarHBondContact O-CB 3.24Å; M67-H71 PolarHBondContact O-CD2 2.91Å; M67-H71 PolarHBondContact O-N 3.21Å; M67-H71 PolarHBondContact O-ND1 3.01Å
68K75.9Confident70.8Confident7 Ų760.6 Ų60.63%0.0332%0.323CS..Hα-helixtrans-65.9-48.2178.8177.8179.7176.4-152.50110.5N4 S7 N65 S66 D70 H71 F72N4-K68 HydrophobicContact CB-CD 4.07Å; N4-K68 PolarHBondContact OD1-NZ 2.93Å; S7-K68 WeakPolarHBondContact OG-CE 3.26Å; N65-K68 WeakPolarHBondContact O-CB 3.39Å; N65-K68 PolarHBondContact O-N 2.77Å; S66-K68 PolarHBondContact O-N 3.39Å; K68-D70 VanDerWaalsContact C-N 3.31Å; K68-D70 PolarHBondContact O-N 3.5Å; K68-H71 PolarHBondContact O-N 2.93Å; K68-F72 HydrophobicContact CG-CD2 4.09Å; K68-F72 HydrophobicContact CG-CE2 4.08Å; K68-F72 VanDerWaalsContact O-CD2 3.28Å; K68-F72 WeakPolarHBondContact O-CD2 3.36Å; K68-F72 PolarHBondContact O-N 2.82Å
69I77.4Confident71.6Confident7 Ų757.7 Ų57.74%0.03631%0.31CS..Hα-helixtrans-60.1-47.5179-67.7159.3000109.1Q58 I60 S66 H71 F72 Q73Q58-I69 HydrophobicContact CB-CD1 4.16Å; Q58-I69 HydrophobicContact CB-CG1 4.1Å; Q58-I69 WeakPolarHBondContact O-CD1 3.49Å; I60-I69 HydrophobicContact CB-CD1 4.38Å; I60-I69 HydrophobicContact CG1-CD1 3.56Å; S66-I69 PolarHBondContact O-N 3.45Å; S66-I69 VanDerWaalsContact O-N 3.08Å; I69-H71 VanDerWaalsContact C-N 3.34Å; I69-H71 PolarHBondContact O-N 3.41Å; I69-F72 PolarHBondContact O-N 2.99Å; I69-F72 VanDerWaalsContact O-N 3.12Å; I69-Q73 HydrophobicContact CG2-CG 4.22Å; I69-Q73 VanDerWaalsContact CG2-NE2 3.28Å; I69-Q73 WeakPolarHBondContact O-CG 3.34Å; I69-Q73 PolarHBondContact O-N 3.34Å
70D79.2Confident72.7Confident75 Ų7553.5 Ų53.540%0.40128%0.284SS..Hα-helixtrans-58-44179.5-57-22.6000111.9S66 K68 F72 Q73 L74S66-D70 PolarHBondContact O-N 2.87Å; K68-D70 VanDerWaalsContact C-N 3.31Å; K68-D70 PolarHBondContact O-N 3.5Å; D70-F72 VanDerWaalsContact C-N 3.34Å; D70-F72 PolarHBondContact O-N 2.66Å; D70-Q73 PolarHBondContact O-N 3.1Å; D70-L74 WeakPolarHBondContact O-CB 3.15Å; D70-L74 VanDerWaalsContact O-CG 3.29Å; D70-L74 WeakPolarHBondContact O-CG 2.93Å; D70-L74 PolarHBondContact O-N 2.81Å
71H82.6Confident74Confident33 Ų3349 Ų4915%0.15326%0.262CS..Hα-helixtrans-63.1-38.1177.8-67.4168.7000113.2S8 A11 Y12 M67 K68 I69 L75S8-H71 PolarHBondContact O-ND1 3.41Å; S8-H71 PolarHBondContact OG-ND1 3.42Å; A11-H71 HydrophobicContact CB-CB 4.33Å; Y12-H71 AromaticContact CD2-CD2 3.65Å; Y12-H71 AromaticContact CD2-NE2 3.88Å; Y12-H71 AromaticContact CG-NE2 4Å; M67-H71 WeakPolarHBondContact O-CB 3.24Å; M67-H71 PolarHBondContact O-CD2 2.91Å; M67-H71 PolarHBondContact O-N 3.21Å; M67-H71 PolarHBondContact O-ND1 3.01Å; K68-H71 PolarHBondContact O-N 2.93Å; I69-H71 VanDerWaalsContact C-N 3.34Å; I69-H71 PolarHBondContact O-N 3.41Å; H71-L75 WeakPolarHBondContact O-CB 3.21Å; H71-L75 PolarHBondContact O-N 2.64Å
72F85Confident75.4Confident7 Ų743.6 Ų43.63%0.03124%0.237CC..Hα-helixtrans-72.9-37.2176.5-83.5-80.7000112A11 Y51 I52 Q55 S56 K68 I69 D70 L75 L76A11-F72 HydrophobicContact CB-CD1 3.93Å; A11-F72 HydrophobicContact CB-CD2 4.06Å; A11-F72 HydrophobicContact CB-CE1 3.81Å; A11-F72 HydrophobicContact CB-CE2 3.92Å; A11-F72 HydrophobicContact CB-CG 4.06Å; A11-F72 HydrophobicContact CB-CZ 3.79Å; Y51-F72 HydrophobicContact CD1-CE1 4.25Å; Y51-F72 HydrophobicContact CD1-CZ 4.44Å; Y51-F72 HydrophobicContact CE1-CE1 4.04Å; Y51-F72 AromaticContact CE1-CZ 3.78Å; Y51-F72 HydrophobicContact CE1-CZ 3.78Å; I52-F72 HydrophobicContact CG1-CD1 4.42Å; I52-F72 HydrophobicContact CG1-CE1 4.44Å; I52-F72 HydrophobicContact CG2-CD1 4.47Å; Q55-F72 HydrophobicContact CB-CB 4.17Å; Q55-F72 HydrophobicContact CB-CD1 3.68Å; Q55-F72 HydrophobicContact CB-CD2 3.48Å; Q55-F72 VanDerWaalsContact CB-CD2 3.48Å; Q55-F72 HydrophobicContact CB-CE1 3.85Å; Q55-F72 HydrophobicContact CB-CE2 3.68Å; Q55-F72 HydrophobicContact CB-CG 3.5Å; Q55-F72 VanDerWaalsContact CB-CG 3.5Å; Q55-F72 HydrophobicContact CB-CZ 3.86Å; Q55-F72 HydrophobicContact CG-CD1 4.34Å; Q55-F72 HydrophobicContact CG-CD2 4.23Å; Q55-F72 HydrophobicContact CG-CE1 3.99Å; Q55-F72 HydrophobicContact CG-CE2 3.9Å; Q55-F72 HydrophobicContact CG-CG 4.46Å; Q55-F72 HydrophobicContact CG-CZ 3.77Å; S56-F72 PolarHBondContact OG-O 2.75Å; K68-F72 HydrophobicContact CG-CD2 4.09Å; K68-F72 HydrophobicContact CG-CE2 4.08Å; K68-F72 VanDerWaalsContact O-CD2 3.28Å; K68-F72 WeakPolarHBondContact O-CD2 3.36Å; K68-F72 PolarHBondContact O-N 2.82Å; I69-F72 PolarHBondContact O-N 2.99Å; I69-F72 VanDerWaalsContact O-N 3.12Å; D70-F72 VanDerWaalsContact C-N 3.34Å; D70-F72 PolarHBondContact O-N 2.66Å; F72-L75 PolarHBondContact O-N 2.62Å; F72-L76 VanDerWaalsContact O-CB 3.3Å; F72-L76 WeakPolarHBondContact O-CB 3.47Å; F72-L76 PolarHBondContact O-N 3.21Å
73Q84.8Confident76.8Confident49 Ų4937.7 Ų37.723%0.22920%0.199CC..Hα-helixtrans-63.2-46173.9-70.6179.8-2.100111.7S56 I69 D70 L75 L76 I77 L117S56-Q73 PolarHBondContact O-NE2 3.48Å; I69-Q73 HydrophobicContact CG2-CG 4.22Å; I69-Q73 VanDerWaalsContact CG2-NE2 3.28Å; I69-Q73 WeakPolarHBondContact O-CG 3.34Å; I69-Q73 PolarHBondContact O-N 3.34Å; D70-Q73 PolarHBondContact O-N 3.1Å; Q73-L75 PolarHBondContact O-N 2.85Å; Q73-L76 PolarHBondContact O-N 3.43Å; Q73-I77 VanDerWaalsContact O-CG1 3.32Å; Q73-I77 WeakPolarHBondContact O-CG1 3.28Å; Q73-I77 PolarHBondContact O-N 3.43Å; Q73-L117 HydrophobicContact CB-CD1 3.9Å; Q73-L117 HydrophobicContact CB-CD2 4.25Å; Q73-L117 HydrophobicContact CG-CD1 3.83Å; Q73-L117 HydrophobicContact CG-CD2 3.9Å
74L84.2Confident78.1Confident53 Ų5334 Ų3428%0.27718%0.18SC..Hα-helixtrans-59.6-45.4174.1-73.9173.2000112Y15 D70 L76 I77 Q78Y15-L74 HydrophobicContact CD1-CB 4.49Å; Y15-L74 HydrophobicContact CD2-CB 3.96Å; Y15-L74 WeakPolarHBondContact CD2-O 3.3Å; Y15-L74 HydrophobicContact CE1-CB 4.49Å; Y15-L74 HydrophobicContact CE1-CD1 4.28Å; Y15-L74 HydrophobicContact CE2-CB 3.99Å; Y15-L74 HydrophobicContact CE2-CD2 4.45Å; Y15-L74 HydrophobicContact CG-CB 4.21Å; D70-L74 WeakPolarHBondContact O-CB 3.15Å; D70-L74 VanDerWaalsContact O-CG 3.29Å; D70-L74 WeakPolarHBondContact O-CG 2.93Å; D70-L74 PolarHBondContact O-N 2.81Å; L74-L76 VanDerWaalsContact C-N 3.32Å; L74-L76 PolarHBondContact O-N 3.39Å; L74-I77 PolarHBondContact O-N 2.96Å; L74-Q78 VanDerWaalsContact O-CB 3.28Å; L74-Q78 WeakPolarHBondContact O-CB 3.25Å; L74-Q78 PolarHBondContact O-N 3.4Å
75L87Confident79.2Confident4 Ų433.7 Ų33.72%0.02117%0.172CC..Hα-helixtrans-58.8-45175.8173.162.3000111.4A11 L14 L18 I52 H71 F72 Q73 Q78 L79A11-L75 HydrophobicContact CB-CD2 4.03Å; L14-L75 HydrophobicContact CB-CD1 3.95Å; L14-L75 HydrophobicContact CD2-CD1 3.69Å; L14-L75 HydrophobicContact CD2-CD2 3.98Å; L14-L75 HydrophobicContact CD2-CG 4.47Å; L14-L75 HydrophobicContact CG-CD1 3.63Å; L18-L75 HydrophobicContact CD1-CD1 3.94Å; I52-L75 HydrophobicContact CD1-CD2 4.31Å; I52-L75 HydrophobicContact CG1-CD2 4.41Å; H71-L75 WeakPolarHBondContact O-CB 3.21Å; H71-L75 PolarHBondContact O-N 2.64Å; F72-L75 PolarHBondContact O-N 2.62Å; Q73-L75 PolarHBondContact O-N 2.85Å; L75-Q78 PolarHBondContact O-N 2.94Å; L75-L79 VanDerWaalsContact O-CB 3.26Å; L75-L79 WeakPolarHBondContact O-CB 3.34Å; L75-L79 PolarHBondContact O-N 3.24Å
76L86.6Confident79.5Confident0 Ų033.3 Ų33.30%017%0.173CC..Hα-helixtrans-62.7-48.6-179.5-174.7162.4000111.3I52 F72 Q73 L74 Q78 L79 A80 I110 L113 A114 L117 Y147I52-L76 HydrophobicContact CG2-CB 4.3Å; I52-L76 HydrophobicContact CG2-CD1 4.43Å; F72-L76 VanDerWaalsContact O-CB 3.3Å; F72-L76 WeakPolarHBondContact O-CB 3.47Å; F72-L76 PolarHBondContact O-N 3.21Å; Q73-L76 PolarHBondContact O-N 3.43Å; L74-L76 VanDerWaalsContact C-N 3.32Å; L74-L76 PolarHBondContact O-N 3.39Å; L76-Q78 VanDerWaalsContact C-N 3.33Å; L76-Q78 PolarHBondContact O-N 3.14Å; L76-L79 PolarHBondContact O-N 2.83Å; L76-A80 PolarHBondContact O-N 3.41Å; L76-I110 HydrophobicContact CD1-CD1 4.34Å; L76-I110 HydrophobicContact CD1-CG1 3.84Å; L76-I110 HydrophobicContact CG-CD1 4.38Å; L76-I110 HydrophobicContact CG-CG1 4.06Å; L76-L113 HydrophobicContact CD1-CD2 3.66Å; L76-L113 HydrophobicContact CD1-CG 4.14Å; L76-A114 HydrophobicContact CD2-CB 3.42Å; L76-A114 VanDerWaalsContact CD2-CB 3.42Å; L76-L117 HydrophobicContact CD2-CD1 4.17Å; L76-Y147 PolarHBondContact O-OH 2.85Å; L76-Y147 VanDerWaalsContact O-OH 3.09Å
77I83.8Confident79.1Confident21 Ų2134.6 Ų34.611%0.10818%0.176CC..Hα-helixtrans-58.9-46.1176.5-66.4168.6000111.1Q73 L74 A80 T81 L117 L118Q73-I77 VanDerWaalsContact O-CG1 3.32Å; Q73-I77 WeakPolarHBondContact O-CG1 3.28Å; Q73-I77 PolarHBondContact O-N 3.43Å; L74-I77 PolarHBondContact O-N 2.96Å; I77-A80 PolarHBondContact O-N 2.97Å; I77-T81 PolarHBondContact O-N 3.28Å; I77-T81 PolarHBondContact O-OG1 2.84Å; I77-L117 HydrophobicContact CD1-CB 3.83Å; I77-L117 HydrophobicContact CG1-CB 3.87Å; I77-L117 HydrophobicContact CG1-CD1 4.43Å; I77-L118 HydrophobicContact CG1-CG 4.42Å; I77-L118 HydrophobicContact CG2-CD2 3.53Å; I77-L118 HydrophobicContact CG2-CG 3.92Å
78Q84.6Confident78.2Confident15 Ų1529.8 Ų29.87%0.0715%0.152CC..Hα-helixtrans-66.8-39.3-178.8-176.159.431.500111.6Y15 L18 L19 E22 L74 L75 L76 T81 S82Y15-Q78 HydrophobicContact CD2-CB 3.59Å; Y15-Q78 HydrophobicContact CD2-CG 3.95Å; Y15-Q78 HydrophobicContact CE2-CB 3.89Å; Y15-Q78 HydrophobicContact CE2-CG 4.23Å; L18-Q78 HydrophobicContact CB-CG 3.57Å; L18-Q78 HydrophobicContact CD1-CG 4.08Å; L18-Q78 HydrophobicContact CG-CG 4.49Å; L19-Q78 VanDerWaalsContact CD2-OE1 3.31Å; L19-Q78 HydrophobicContact CG-CG 4.45Å; E22-Q78 PolarHBondContact OE2-NE2 2.96Å; L74-Q78 VanDerWaalsContact O-CB 3.28Å; L74-Q78 WeakPolarHBondContact O-CB 3.25Å; L74-Q78 PolarHBondContact O-N 3.4Å; L75-Q78 PolarHBondContact O-N 2.94Å; L76-Q78 VanDerWaalsContact C-N 3.33Å; L76-Q78 PolarHBondContact O-N 3.14Å; Q78-T81 PolarHBondContact O-N 2.85Å; Q78-S82 PolarHBondContact NE2-OG 2.87Å; Q78-S82 VanDerWaalsContact NE2-OG 3.08Å; Q78-S82 VanDerWaalsContact O-CB 3.25Å; Q78-S82 WeakPolarHBondContact O-CB 3.46Å; Q78-S82 PolarHBondContact O-N 3.36Å; Q78-S82 PolarHBondContact O-OG 3.31Å
79L86Confident76.9Confident3 Ų333.3 Ų33.32%0.01618%0.176CC..Hα-helixtrans-62.4-46.8176.5-16874.4000110.2L18 Y39 L75 L76 T81 S82 L83 Y147L18-L79 HydrophobicContact CD1-CB 4.45Å; L18-L79 HydrophobicContact CD1-CD1 4.01Å; Y39-L79 HydrophobicContact CD1-CD1 4.03Å; Y39-L79 HydrophobicContact CE1-CD1 3.93Å; L75-L79 VanDerWaalsContact O-CB 3.26Å; L75-L79 WeakPolarHBondContact O-CB 3.34Å; L75-L79 PolarHBondContact O-N 3.24Å; L76-L79 PolarHBondContact O-N 2.83Å; L79-T81 PolarHBondContact O-N 3.16Å; L79-S82 PolarHBondContact O-N 2.87Å; L79-L83 HydrophobicContact CG-CD1 4.2Å; L79-L83 WeakPolarHBondContact O-CB 3.2Å; L79-L83 WeakPolarHBondContact O-CG 3.45Å; L79-L83 PolarHBondContact O-N 3.02Å; L79-Y147 HydrophobicContact CD2-CE1 3.58Å; L79-Y147 HydrophobicContact CG-CE1 4.17Å
80A83.9Confident75.6Confident0 Ų033.6 Ų33.60%018%0.178CC..Hα-helixtrans-55.6-51.1175.700000111.9L76 I77 S82 L83 N84 A114 S143 Y147L76-A80 PolarHBondContact O-N 3.41Å; I77-A80 PolarHBondContact O-N 2.97Å; A80-S82 VanDerWaalsContact C-N 3.35Å; A80-S82 PolarHBondContact O-N 3.44Å; A80-L83 PolarHBondContact O-N 3.34Å; A80-N84 PolarHBondContact O-N 2.97Å; A80-A114 HydrophobicContact CB-CB 4.26Å; A80-S143 CarbonylContact C-O 3.37Å; A80-S143 WeakPolarHBondContact CB-O 3.48Å; A80-Y147 HydrophobicContact CB-CD2 4.14Å; A80-Y147 HydrophobicContact CB-CE2 3.6Å
81T80.7Confident73.9Confident20 Ų2035 Ų3512%0.12319%0.191CC..Hα-helixtrans-61.7-42.5179.6-57.30000112.1I77 Q78 L79 N84 K85I77-T81 PolarHBondContact O-N 3.28Å; I77-T81 PolarHBondContact O-OG1 2.84Å; Q78-T81 PolarHBondContact O-N 2.85Å; L79-T81 PolarHBondContact O-N 3.16Å; T81-N84 PolarHBondContact O-N 2.93Å; T81-K85 HydrophobicContact CG2-CD 4.27Å; T81-K85 WeakPolarHBondContact O-CG 3.22Å; T81-K85 PolarHBondContact O-N 3.14Å
82S79.8Confident72.3Confident6 Ų634.8 Ų34.84%0.04219%0.191CC..Hα-helixtrans-69.5-40-178.9-51.90000111.2Y39 Q78 L79 A80 K85 S86Y39-S82 WeakPolarHBondContact OH-CB 3.34Å; Y39-S82 PolarHBondContact OH-O 2.94Å; Y39-S82 VanDerWaalsContact OH-O 3.11Å; Q78-S82 PolarHBondContact NE2-OG 2.87Å; Q78-S82 VanDerWaalsContact NE2-OG 3.08Å; Q78-S82 VanDerWaalsContact O-CB 3.25Å; Q78-S82 WeakPolarHBondContact O-CB 3.46Å; Q78-S82 PolarHBondContact O-N 3.36Å; Q78-S82 PolarHBondContact O-OG 3.31Å; L79-S82 PolarHBondContact O-N 2.87Å; A80-S82 VanDerWaalsContact C-N 3.35Å; A80-S82 PolarHBondContact O-N 3.44Å; S82-K85 PolarHBondContact O-N 3.45Å; S82-S86 WeakPolarHBondContact O-CB 3.44Å; S82-S86 PolarHBondContact O-N 2.74Å; S82-S86 PolarHBondContact O-OG 3.3Å
83L79.2Confident70.5Confident6 Ų642.4 Ų42.43%0.03123%0.232CC..Hα-helixtrans-60.7-46.7175.1-71.6172.3000111.4Y39 L43 L79 A80 N87 Y147 S150Y39-L83 HydrophobicContact CD1-CD2 3.49Å; Y39-L83 VanDerWaalsContact CD1-CD2 3.49Å; Y39-L83 HydrophobicContact CD1-CG 4.33Å; Y39-L83 HydrophobicContact CD2-CD2 3.6Å; Y39-L83 HydrophobicContact CE1-CD2 3.67Å; Y39-L83 HydrophobicContact CE1-CG 4.15Å; Y39-L83 HydrophobicContact CE2-CD2 3.78Å; Y39-L83 HydrophobicContact CG-CD2 3.45Å; Y39-L83 VanDerWaalsContact CG-CD2 3.45Å; Y39-L83 PolarHBondContact OH-N 3.22Å; L43-L83 HydrophobicContact CD1-CD1 4.17Å; L43-L83 HydrophobicContact CD1-CD2 3.75Å; L43-L83 HydrophobicContact CD2-CD1 4.12Å; L79-L83 HydrophobicContact CG-CD1 4.2Å; L79-L83 WeakPolarHBondContact O-CB 3.2Å; L79-L83 WeakPolarHBondContact O-CG 3.45Å; L79-L83 PolarHBondContact O-N 3.02Å; A80-L83 PolarHBondContact O-N 3.34Å; L83-N87 PolarHBondContact O-N 2.94Å; L83-Y147 HydrophobicContact CD1-CD1 3.75Å; L83-Y147 HydrophobicContact CD1-CE1 3.97Å; L83-Y147 HydrophobicContact CD1-CG 4.23Å; L83-S150 WeakPolarHBondContact CD2-OG 3.48Å
84N76.3Confident69Low42 Ų4241.7 Ų41.723%0.22524%0.237CC..Hα-helixtrans-65.4-40178.7-179.355.3000113.1A80 T81 N87 K142 S143A80-N84 PolarHBondContact O-N 2.97Å; T81-N84 PolarHBondContact O-N 2.93Å; N84-N87 PolarHBondContact O-OD1 3.16Å; N84-K142 VanDerWaalsContact CG-C 3.47Å; N84-K142 PolarHBondContact OD1-O 2.78Å; N84-S143 PolarHBondContact ND2-N 3.42Å
85K73.1Confident67.8Low133 Ų13343.9 Ų43.958%0.57825%0.248SC*.Hα-helixtrans-71.5-37.1-180-77.5-176.2179-176.30113.5E22 T81 S82 N87E22-K85 WeakPolarHBondContact OE1-CE 3.29Å; E22-K85 IonicContact OE1-NZ 3.8Å; E22-K85 PolarHBondContact OE1-NZ 3.3Å; T81-K85 HydrophobicContact CG2-CD 4.27Å; T81-K85 WeakPolarHBondContact O-CG 3.22Å; T81-K85 PolarHBondContact O-N 3.14Å; S82-K85 PolarHBondContact O-N 3.45Å; K85-N87 VanDerWaalsContact C-N 3.32Å
86S63.8Low66.6Low37 Ų3745.3 Ų45.326%0.25926%0.255SS..Hα-helixtrans-84.5-9.5-169.9560000113.2Y39 S82 I88Y39-S86 VanDerWaalsContact CE2-OG 3.28Å; Y39-S86 WeakPolarHBondContact CE2-OG 3.42Å; Y39-S86 PolarHBondContact OH-OG 3.16Å; S82-S86 WeakPolarHBondContact O-CB 3.44Å; S82-S86 PolarHBondContact O-N 2.74Å; S82-S86 PolarHBondContact O-OG 3.3Å; S86-I88 WeakPolarHBondContact O-CA 3.42Å; S86-I88 VanDerWaalsContact O-CG1 3.24Å; S86-I88 WeakPolarHBondContact O-CG1 3.31Å; S86-I88 PolarHBondContact O-N 3.39Å
87N54.5Low65.7Low80 Ų8050.4 Ų50.443%0.42829%0.287SS..  trans31.742.1177.6-102.511.9000111L83 N84 K85 P89 E274L83-N87 PolarHBondContact O-N 2.94Å; N84-N87 PolarHBondContact O-OD1 3.16Å; K85-N87 VanDerWaalsContact C-N 3.32Å; N87-P89 WeakPolarHBondContact O-CD 3.35Å; N87-E274 PolarHBondContact ND2-OE2 3.49Å
88I53.2Low65.2Low27 Ų2755.5 Ų55.514%0.13831%0.314CS..  trans-71.3111-166.9-57.5-172.4000103.5L35 Q36 Y39 S86 L90L35-I88 HydrophobicContact CB-CD1 3.83Å; Q36-I88 HydrophobicContact CB-CD1 4.31Å; Q36-I88 HydrophobicContact CB-CG2 4.38Å; Q36-I88 HydrophobicContact CG-CG2 4.24Å; Y39-I88 HydrophobicContact CD2-CD1 3.72Å; Y39-I88 HydrophobicContact CE2-CD1 3.55Å; Y39-I88 HydrophobicContact CE2-CG1 4.28Å; S86-I88 WeakPolarHBondContact O-CA 3.42Å; S86-I88 VanDerWaalsContact O-CG1 3.24Å; S86-I88 WeakPolarHBondContact O-CG1 3.31Å; S86-I88 PolarHBondContact O-N 3.39Å; I88-L90 HydrophobicContact CB-CD1 4.3Å; I88-L90 HydrophobicContact CB-CG 4.45Å; I88-L90 HydrophobicContact CG2-CD1 4.38Å; I88-L90 HydrophobicContact CG2-CG 3.99Å; I88-L90 PolarHBondContact O-N 3.17Å
89P49Very low65Low81 Ų8156.8 Ų56.853%0.52632%0.321SS..  trans-66.398.6160.829-25000101.6N87 P91 P275N87-P89 WeakPolarHBondContact O-CD 3.35Å; P89-P91 WeakPolarHBondContact O-CD 3.41Å; P89-P91 VanDerWaalsContact O-N 3.14Å; P89-P275 HydrophobicContact CB-CG 4.12Å; P89-P275 HydrophobicContact CG-CG 4.25Å
90L49.8Very low65Low14 Ų1459.8 Ų59.87%0.07334%0.337CS..  trans-71.1111.5173.2-67.393.7000104.1Q36 D40 I88 L92Q36-L90 HydrophobicContact CG-CD2 4.18Å; Q36-L90 HydrophobicContact CG-CG 4.25Å; D40-L90 HydrophobicContact CB-CD2 4.24Å; I88-L90 HydrophobicContact CB-CD1 4.3Å; I88-L90 HydrophobicContact CB-CG 4.45Å; I88-L90 HydrophobicContact CG2-CD1 4.38Å; I88-L90 HydrophobicContact CG2-CG 3.99Å; I88-L90 PolarHBondContact O-N 3.17Å; L90-L92 HydrophobicContact CB-CB 4.46Å; L90-L92 HydrophobicContact CB-CD1 3.48Å; L90-L92 VanDerWaalsContact CB-CD1 3.48Å; L90-L92 HydrophobicContact CB-CD2 4.32Å; L90-L92 HydrophobicContact CB-CG 3.43Å; L90-L92 VanDerWaalsContact CB-CG 3.43Å; L90-L92 HydrophobicContact CD1-CD1 4.39Å; L90-L92 HydrophobicContact CD2-CD1 4.27Å; L90-L92 HydrophobicContact CD2-CD2 4.01Å; L90-L92 HydrophobicContact CD2-CG 4.04Å; L90-L92 HydrophobicContact CG-CD1 4.26Å; L90-L92 HydrophobicContact CG-CG 4.32Å; L90-L92 PolarHBondContact O-N 3.48Å
91P44.5Very low65.1Low104 Ų10464 Ų6468%0.67536%0.359SS*.  trans-66.682.1159.930-35.3000106P89 N93P89-P91 WeakPolarHBondContact O-CD 3.41Å; P89-P91 VanDerWaalsContact O-N 3.14Å; P91-N93 PolarHBondContact O-N 3.46Å
92L48.7Very low65.4Low29 Ų2967.7 Ų67.715%0.15238%0.377CS..  trans-74.1110.9-174-90.4144.4000107.6D40 R44 L90 G94 M154D40-L92 WeakPolarHBondContact OD1-CD2 3.15Å; R44-L92 HydrophobicContact CG-CD2 4.41Å; L90-L92 HydrophobicContact CB-CB 4.46Å; L90-L92 HydrophobicContact CB-CD1 3.48Å; L90-L92 VanDerWaalsContact CB-CD1 3.48Å; L90-L92 HydrophobicContact CB-CD2 4.32Å; L90-L92 HydrophobicContact CB-CG 3.43Å; L90-L92 VanDerWaalsContact CB-CG 3.43Å; L90-L92 HydrophobicContact CD1-CD1 4.39Å; L90-L92 HydrophobicContact CD2-CD1 4.27Å; L90-L92 HydrophobicContact CD2-CD2 4.01Å; L90-L92 HydrophobicContact CD2-CG 4.04Å; L90-L92 HydrophobicContact CG-CD1 4.26Å; L90-L92 HydrophobicContact CG-CG 4.32Å; L90-L92 PolarHBondContact O-N 3.48Å; L92-G94 PolarHBondContact O-N 2.95Å; L92-M154 HydrophobicContact CD1-CB 4.37Å; L92-M154 HydrophobicContact CD1-CG 3.85Å
93N46.1Very low65.7Low167 Ų16768.1 Ų68.189%0.89338%0.379SS*.SBendtrans-6680.4166.8-80.3-18.2000109.1R44 P91R44-N93 PolarHBondContact NH2-O 2.61Å; P91-N93 PolarHBondContact O-N 3.46Å
94G54.4Low66.1Low33 Ų3367.8 Ų67.834%0.3438%0.377SS..SBendtrans146.586.7178.300000109.5R44 L92R44-G94 PolarHBondContact NH2-O 2.85Å; L92-G94 PolarHBondContact O-N 2.95Å
95I57.9Low66.7Low100 Ų10067.8 Ų67.851%0.51338%0.375SS..  trans-65.1129171.8-60.9170.3000107.2T97 H156I95-T97 PolarHBondContact O-N 3.18Å; I95-H156 HydrophobicContact CD1-CB 4.14Å; I95-H156 HydrophobicContact CG1-CB 4Å; I95-H156 HydrophobicContact CG2-CB 3.94Å
96I62.7Low67.5Low34 Ų3461.8 Ų61.817%0.17435%0.35CS..  trans-67.2117.6168.5-63.4-179.2000107.5N98 Y151 M154 L161I96-N98 WeakPolarHBondContact CG2-O 3.14Å; I96-Y151 HydrophobicContact CD1-CE2 4.15Å; I96-M154 HydrophobicContact CD1-CB 3.59Å; I96-M154 HydrophobicContact CD1-CE 3.79Å; I96-M154 HydrophobicContact CD1-CG 4.36Å; I96-M154 HydrophobicContact CD1-SD 3.94Å; I96-M154 HydrophobicContact CG1-CB 4.05Å; I96-M154 HydrophobicContact CG1-CE 4.17Å; I96-L161 WeakPolarHBondContact O-CD1 3.46Å
97T66.7Low68.6Low107 Ų10760 Ų6066%0.65634%0.338SS*.  trans-94.6-20.7176.752.20000113.1I95I95-T97 PolarHBondContact O-N 3.18Å
98N75.2Confident70.3Confident127 Ų12756.2 Ų56.268%0.67932%0.317SS*.SBendtrans-132.2144.5-177.1-71.2-13.8000110.7I96 D100I96-N98 WeakPolarHBondContact CG2-O 3.14Å; N98-D100 PolarHBondContact O-N 3.39Å
99I79.7Confident71.9Confident42 Ų4256.3 Ų56.322%0.21532%0.318CS..  trans-77.5122.6176.7-60.2176.7000109.9I104 L161 D164 I168I99-I104 HydrophobicContact CG2-CD1 3.46Å; I99-I104 VanDerWaalsContact CG2-CD1 3.46Å; I99-I104 HydrophobicContact CG2-CG1 4.5Å; I99-L161 HydrophobicContact CD1-CD2 4.22Å; I99-L161 HydrophobicContact CG1-CD2 3.93Å; I99-D164 HydrophobicContact CD1-CB 3.25Å; I99-I168 HydrophobicContact CD1-CD1 4.39Å; I99-I168 HydrophobicContact CG2-CD1 3.59Å
100D84.9Confident73.7Confident66 Ų6652.4 Ų52.435%0.35329%0.293SS..  trans-93.3104.6164.9-176.2-10.7000108.6K46 N98 D102 F103 I104K46-D100 IonicContact NZ-OD1 3.13Å; K46-D100 IonicContact NZ-OD2 2.99Å; N98-D100 PolarHBondContact O-N 3.39Å; D100-D102 VanDerWaalsContact C-N 3.34Å; D100-D102 PolarHBondContact O-N 3.39Å; D100-D102 WeakPolarHBondContact OD1-CB 3.4Å; D100-D102 PolarHBondContact OD1-N 2.9Å; D100-F103 HydrophobicContact CB-CB 3.76Å; D100-F103 PolarHBondContact O-N 3.46Å; D100-F103 PolarHBondContact OD1-N 3.19Å; D100-I104 PolarHBondContact O-N 3.12Å; D100-I104 VanDerWaalsContact O-N 3.12Å
101I86.6Confident75.5Confident89 Ų8951.8 Ų51.846%0.45629%0.289SS..Hα-helixtrans-59.9-46.1-179.9-63.7174.5000110.2F103 I104 H105 I168I101-F103 PolarHBondContact O-N 3.13Å; I101-I104 WeakPolarHBondContact O-CB 3.46Å; I101-I104 PolarHBondContact O-N 3.44Å; I101-I104 VanDerWaalsContact O-N 3.11Å; I101-H105 WeakPolarHBondContact CG2-NE2 3.23Å; I101-H105 PolarHBondContact O-CD2 3.19Å; I101-H105 PolarHBondContact O-N 3.44Å; I101-I168 HydrophobicContact CG1-CD1 4.06Å
102D86.2Confident77.4Confident97 Ų9746.9 Ų46.952%0.51926%0.258SS..Hα-helixtrans-62-32.2-179.4-63.5-20000111.5K46 D100 H105 L106K46-D102 VanDerWaalsContact CE-CB 3.41Å; K46-D102 IonicContact NZ-OD2 3.63Å; K46-D102 PolarHBondContact NZ-OD2 2.97Å; D100-D102 VanDerWaalsContact C-N 3.34Å; D100-D102 PolarHBondContact O-N 3.39Å; D100-D102 WeakPolarHBondContact OD1-CB 3.4Å; D100-D102 PolarHBondContact OD1-N 2.9Å; D102-H105 PolarHBondContact O-N 3.45Å; D102-L106 WeakPolarHBondContact O-CB 3.42Å; D102-L106 PolarHBondContact O-N 2.8Å
103F86.9Confident79Confident15 Ų1545.9 Ų45.97%0.06625%0.252CS..Hα-helixtrans-71.9-39177.4-166.6-129.4000111.8L43 K46 L49 D100 I101 H105 L106 I107 Y151 M154L43-F103 WeakPolarHBondContact O-CZ 3.24Å; K46-F103 HydrophobicContact CB-CD2 3.98Å; K46-F103 HydrophobicContact CB-CE2 4.4Å; K46-F103 HydrophobicContact CG-CD2 4.07Å; L49-F103 HydrophobicContact CD1-CE2 3.62Å; L49-F103 HydrophobicContact CD1-CZ 3.92Å; D100-F103 HydrophobicContact CB-CB 3.76Å; D100-F103 PolarHBondContact O-N 3.46Å; D100-F103 PolarHBondContact OD1-N 3.19Å; I101-F103 PolarHBondContact O-N 3.13Å; F103-H105 VanDerWaalsContact C-N 3.28Å; F103-H105 PolarHBondContact O-N 3.03Å; F103-L106 HydrophobicContact CD2-CB 4.49Å; F103-L106 HydrophobicContact CD2-CD2 4.01Å; F103-L106 HydrophobicContact CE2-CD2 4.16Å; F103-L106 WeakPolarHBondContact O-CB 3.35Å; F103-L106 PolarHBondContact O-N 3.44Å; F103-I107 HydrophobicContact CE2-CD1 4.38Å; F103-I107 HydrophobicContact CZ-CD1 4.08Å; F103-I107 HydrophobicContact CZ-CG1 4.33Å; F103-I107 WeakPolarHBondContact O-CG1 3.49Å; F103-I107 PolarHBondContact O-N 2.9Å; F103-Y151 AromaticContact CD1-CD2 3.89Å; F103-Y151 HydrophobicContact CD1-CD2 3.89Å; F103-Y151 AromaticContact CD1-CE2 3.46Å; F103-Y151 HydrophobicContact CD1-CE2 3.46Å; F103-Y151 VanDerWaalsContact CD1-CE2 3.46Å; F103-Y151 AromaticContact CE1-CD2 3.52Å; F103-Y151 HydrophobicContact CE1-CD2 3.52Å; F103-Y151 AromaticContact CE1-CE2 3.6Å; F103-Y151 HydrophobicContact CE1-CE2 3.6Å; F103-Y151 HydrophobicContact CZ-CD2 4.47Å; F103-M154 HydrophobicContact CE1-SD 4.3Å
104I88.4Confident80.8Confident0 Ų037.9 Ų37.90%021%0.21CC..Hα-helixtrans-57.1-46.6168.9-66.5170.3000110.1I99 D100 I101 L106 I107 I108 Y151 T165 I168 L169I99-I104 HydrophobicContact CG2-CD1 3.46Å; I99-I104 VanDerWaalsContact CG2-CD1 3.46Å; I99-I104 HydrophobicContact CG2-CG1 4.5Å; D100-I104 PolarHBondContact O-N 3.12Å; D100-I104 VanDerWaalsContact O-N 3.12Å; I101-I104 WeakPolarHBondContact O-CB 3.46Å; I101-I104 PolarHBondContact O-N 3.44Å; I101-I104 VanDerWaalsContact O-N 3.11Å; I104-L106 VanDerWaalsContact C-N 3.3Å; I104-L106 PolarHBondContact O-N 2.92Å; I104-I107 PolarHBondContact O-N 3.32Å; I104-I107 VanDerWaalsContact O-N 3.14Å; I104-I108 HydrophobicContact CG2-CD1 3.95Å; I104-I108 HydrophobicContact CG2-CG1 4.43Å; I104-I108 WeakPolarHBondContact O-CG1 3.41Å; I104-I108 PolarHBondContact O-N 2.84Å; I104-Y151 HydrophobicContact CG1-CE1 3.83Å; I104-Y151 WeakPolarHBondContact CG1-OH 3.5Å; I104-T165 HydrophobicContact CD1-CG2 4.07Å; I104-I168 HydrophobicContact CD1-CB 4.42Å; I104-I168 HydrophobicContact CD1-CD1 3.83Å; I104-I168 HydrophobicContact CD1-CG2 4.09Å; I104-I168 HydrophobicContact CG2-CG2 4.16Å; I104-L169 HydrophobicContact CG2-CD2 3.96Å
105H88.9Confident81.9Confident41 Ų4136.4 Ų36.419%0.1919%0.194CC..Hα-helixtrans-59.5-43.9179.5-73.2-133.7000110.8I101 D102 F103 I107 I108 D109 E172 R213I101-H105 WeakPolarHBondContact CG2-NE2 3.23Å; I101-H105 PolarHBondContact O-CD2 3.19Å; I101-H105 PolarHBondContact O-N 3.44Å; D102-H105 PolarHBondContact O-N 3.45Å; F103-H105 VanDerWaalsContact C-N 3.28Å; F103-H105 PolarHBondContact O-N 3.03Å; H105-I107 VanDerWaalsContact C-N 3.35Å; H105-I107 PolarHBondContact O-N 2.83Å; H105-I108 WeakPolarHBondContact O-CB 3.43Å; H105-I108 PolarHBondContact O-N 3.36Å; H105-D109 PolarHBondContact O-N 3.41Å; H105-E172 VanDerWaalsContact CE1-CD 3.5Å; H105-E172 IonicContact CE1-OE1 2.78Å; H105-E172 IonicContact CE1-OE2 2.81Å; H105-E172 IonicContact ND1-OE1 2.77Å; H105-R213 PolarHBondContact ND1-NH2 3.36Å
106L88.3Confident82.7Confident7 Ų733.4 Ų33.44%0.03718%0.179CC..Hα-helixtrans-61.3-39.7175.4-178.361.2000113K46 L49 H50 L53 D102 F103 I104 D109 I110K46-L106 HydrophobicContact CG-CD2 3.87Å; K46-L106 WeakPolarHBondContact O-CD2 3.26Å; L49-L106 HydrophobicContact CB-CD2 3.58Å; L49-L106 HydrophobicContact CB-CG 4.17Å; H50-L106 HydrophobicContact CB-CD1 4.2Å; H50-L106 HydrophobicContact CB-CD2 4.16Å; L53-L106 HydrophobicContact CB-CD1 4.4Å; L53-L106 HydrophobicContact CD2-CD1 3.63Å; D102-L106 WeakPolarHBondContact O-CB 3.42Å; D102-L106 PolarHBondContact O-N 2.8Å; F103-L106 HydrophobicContact CD2-CB 4.49Å; F103-L106 HydrophobicContact CD2-CD2 4.01Å; F103-L106 HydrophobicContact CE2-CD2 4.16Å; F103-L106 WeakPolarHBondContact O-CB 3.35Å; F103-L106 PolarHBondContact O-N 3.44Å; I104-L106 VanDerWaalsContact C-N 3.3Å; I104-L106 PolarHBondContact O-N 2.92Å; L106-D109 PolarHBondContact O-N 2.89Å; L106-I110 WeakPolarHBondContact O-CG2 3.49Å; L106-I110 PolarHBondContact O-N 3.47Å
107I88.8Confident83.2Confident1 Ų132.2 Ų32.21%0.00517%0.173CC..Hα-helixtrans-65.9-39.3175.9-66.2-64.1000111.3L49 F103 I104 H105 I110 T111 W148 Y151L49-I107 HydrophobicContact CD1-CD1 4.31Å; F103-I107 HydrophobicContact CE2-CD1 4.38Å; F103-I107 HydrophobicContact CZ-CD1 4.08Å; F103-I107 HydrophobicContact CZ-CG1 4.33Å; F103-I107 WeakPolarHBondContact O-CG1 3.49Å; F103-I107 PolarHBondContact O-N 2.9Å; I104-I107 PolarHBondContact O-N 3.32Å; I104-I107 VanDerWaalsContact O-N 3.14Å; H105-I107 VanDerWaalsContact C-N 3.35Å; H105-I107 PolarHBondContact O-N 2.83Å; I107-I110 WeakPolarHBondContact O-CG2 3.31Å; I107-T111 VanDerWaalsContact O-CB 3.23Å; I107-T111 WeakPolarHBondContact O-CB 3.46Å; I107-T111 PolarHBondContact O-N 3.4Å; I107-T111 PolarHBondContact O-OG1 3.18Å; I107-W148 HydrophobicContact CG2-CB 4.47Å; I107-W148 HydrophobicContact CG2-CE3 4.12Å; I107-Y151 HydrophobicContact CG1-CD2 4.31Å; I107-Y151 HydrophobicContact CG1-CG 4.08Å
108I89.3Confident83.4Confident0 Ų028 Ų280%015%0.146CC..Hα-helixtrans-62.1-48.2174-63.6163.8000110I104 H105 T111 G112 L169 E172 R213 L217 I220I104-I108 HydrophobicContact CG2-CD1 3.95Å; I104-I108 HydrophobicContact CG2-CG1 4.43Å; I104-I108 WeakPolarHBondContact O-CG1 3.41Å; I104-I108 PolarHBondContact O-N 2.84Å; H105-I108 WeakPolarHBondContact O-CB 3.43Å; H105-I108 PolarHBondContact O-N 3.36Å; I108-T111 PolarHBondContact O-N 2.64Å; I108-G112 PolarHBondContact O-N 3.12Å; I108-L169 HydrophobicContact CD1-CD2 3.9Å; I108-L169 HydrophobicContact CG1-CD2 4.21Å; I108-E172 HydrophobicContact CD1-CG 4.39Å; I108-R213 HydrophobicContact CG2-CG 3.77Å; I108-R213 WeakPolarHBondContact CG2-O 3.42Å; I108-L217 HydrophobicContact CD1-CD1 3.94Å; I108-L217 HydrophobicContact CG1-CD1 4.21Å; I108-L217 HydrophobicContact CG2-CB 3.83Å; I108-I220 HydrophobicContact CG1-CD1 4Å
109D86.9Confident82.9Confident28 Ų2823.4 Ų23.415%0.1512%0.124CC..Hα-helixtrans-62.1-47.6-176-64.1-13.9000111.3L53 H105 L106 G112 L113 R213L53-D109 HydrophobicContact CD2-CB 3.69Å; H105-D109 PolarHBondContact O-N 3.41Å; L106-D109 PolarHBondContact O-N 2.89Å; D109-G112 PolarHBondContact O-N 2.72Å; D109-L113 WeakPolarHBondContact O-CB 3.39Å; D109-L113 PolarHBondContact O-N 3.38Å; D109-R213 WeakPolarHBondContact OD1-CD 3.43Å; D109-R213 WeakPolarHBondContact OD1-CG 3.35Å; D109-R213 IonicContact OD1-CZ 3.58Å; D109-R213 IonicContact OD1-NE 2.64Å; D109-R213 PolarHBondContact OD1-NE 2.79Å
110I87.1Confident82Confident0 Ų025 Ų250%013%0.13CC..Hα-helixtrans-70-35.9-179.3-157.2170.9000112.3L49 L76 L106 I107 G112 L113 A114 Y147L49-I110 HydrophobicContact CD2-CD1 3.5Å; L49-I110 VanDerWaalsContact CD2-CD1 3.5Å; L76-I110 HydrophobicContact CD1-CD1 4.34Å; L76-I110 HydrophobicContact CD1-CG1 3.84Å; L76-I110 HydrophobicContact CG-CD1 4.38Å; L76-I110 HydrophobicContact CG-CG1 4.06Å; L106-I110 WeakPolarHBondContact O-CG2 3.49Å; L106-I110 PolarHBondContact O-N 3.47Å; I107-I110 WeakPolarHBondContact O-CG2 3.31Å; I110-G112 VanDerWaalsContact C-N 3.34Å; I110-L113 PolarHBondContact O-N 3.25Å; I110-A114 VanDerWaalsContact O-CB 3.29Å; I110-A114 WeakPolarHBondContact O-CB 3.17Å; I110-A114 PolarHBondContact O-N 2.93Å; I110-Y147 HydrophobicContact CD1-CD1 4.28Å; I110-Y147 HydrophobicContact CD1-CE1 3.61Å; I110-Y147 HydrophobicContact CD1-CE2 4.25Å; I110-Y147 HydrophobicContact CG1-CE1 4.27Å; I110-Y147 HydrophobicContact CG1-CE2 4.05Å; I110-Y147 HydrophobicContact CG2-CD1 3.93Å; I110-Y147 HydrophobicContact CG2-CD2 3.97Å; I110-Y147 HydrophobicContact CG2-CE1 4.3Å; I110-Y147 HydrophobicContact CG2-CE2 4.32Å; I110-Y147 HydrophobicContact CG2-CG 3.75Å
111T87.2Confident80.4Confident0 Ų024.5 Ų24.50%013%0.128CC..Hα-helixtrans-63-44.6174.4-60.80000110.4I107 I108 L115 I220I107-T111 VanDerWaalsContact O-CB 3.23Å; I107-T111 WeakPolarHBondContact O-CB 3.46Å; I107-T111 PolarHBondContact O-N 3.4Å; I107-T111 PolarHBondContact O-OG1 3.18Å; I108-T111 PolarHBondContact O-N 2.64Å; T111-L115 WeakPolarHBondContact O-CB 3.36Å; T111-L115 PolarHBondContact O-N 2.85Å; T111-L115 VanDerWaalsContact O-N 3.11Å; T111-I220 HydrophobicContact CG2-CD1 4.38Å; T111-I220 HydrophobicContact CG2-CG1 4.3Å
112G84.1Confident78.5Confident1 Ų122.6 Ų22.61%0.0112%0.12CC..Hα-helixtrans-60.6-46.917600000113.1I108 D109 I110 L115 L116 A212I108-G112 PolarHBondContact O-N 3.12Å; D109-G112 PolarHBondContact O-N 2.72Å; I110-G112 VanDerWaalsContact C-N 3.34Å; G112-L115 PolarHBondContact O-N 2.91Å; G112-L116 PolarHBondContact O-N 3.48Å; G112-A212 WeakPolarHBondContact CA-O 3.43Å
113L82.9Confident76.5Confident8 Ų820.8 Ų20.84%0.04211%0.113CC..Hα-helixtrans-66.4-43.4178.7-176.562.1000112L53 C57 L76 D109 I110 L115 L116 L117L53-L113 HydrophobicContact CD1-CB 4.25Å; L53-L113 HydrophobicContact CD1-CD2 3.53Å; C57-L113 WeakPolarHBondContact SG-CD2 3.36Å; L76-L113 HydrophobicContact CD1-CD2 3.66Å; L76-L113 HydrophobicContact CD1-CG 4.14Å; D109-L113 WeakPolarHBondContact O-CB 3.39Å; D109-L113 PolarHBondContact O-N 3.38Å; I110-L113 PolarHBondContact O-N 3.25Å; L113-L115 PolarHBondContact O-N 3.2Å; L113-L116 PolarHBondContact O-N 2.94Å; L113-L117 HydrophobicContact CD1-CD1 4.23Å; L113-L117 HydrophobicContact CD1-CG 4.19Å; L113-L117 HydrophobicContact CD2-CD1 4.5Å; L113-L117 HydrophobicContact CG-CD1 3.91Å; L113-L117 HydrophobicContact CG-CG 4.32Å; L113-L117 VanDerWaalsContact O-CG 3.32Å; L113-L117 WeakPolarHBondContact O-CG 3.49Å; L113-L117 PolarHBondContact O-N 2.94Å
114A83.1Confident74.2Confident0 Ų024 Ų240%013%0.134CC..Hα-helixtrans-55.5-44176.100000111.3L76 A80 I110 L117 L118 Y147L76-A114 HydrophobicContact CD2-CB 3.42Å; L76-A114 VanDerWaalsContact CD2-CB 3.42Å; A80-A114 HydrophobicContact CB-CB 4.26Å; I110-A114 VanDerWaalsContact O-CB 3.29Å; I110-A114 WeakPolarHBondContact O-CB 3.17Å; I110-A114 PolarHBondContact O-N 2.93Å; A114-L117 PolarHBondContact O-N 2.84Å; A114-L118 VanDerWaalsContact O-CB 3.3Å; A114-L118 WeakPolarHBondContact O-CB 3.39Å; A114-L118 WeakPolarHBondContact O-CG 3.49Å; A114-L118 PolarHBondContact O-N 3.12Å; A114-Y147 HydrophobicContact CB-CE2 4.24Å
115L78Confident71.8Confident2 Ų229 Ų291%0.0116%0.16CC..Hα-helixtrans-65.6-41178.8-176.173.2000112.8T111 G112 L113 S119 M141 C144 R215 H219T111-L115 WeakPolarHBondContact O-CB 3.36Å; T111-L115 PolarHBondContact O-N 2.85Å; T111-L115 VanDerWaalsContact O-N 3.11Å; G112-L115 PolarHBondContact O-N 2.91Å; L113-L115 PolarHBondContact O-N 3.2Å; L115-S119 WeakPolarHBondContact O-CB 3.42Å; L115-S119 PolarHBondContact O-N 3.3Å; L115-S119 PolarHBondContact O-OG 3.35Å; L115-M141 HydrophobicContact CD1-CG 4.42Å; L115-C144 WeakPolarHBondContact CA-SG 3.42Å; L115-C144 HydrophobicContact CB-CB 4.24Å; L115-C144 HydrophobicContact CD1-CB 4.3Å; L115-C144 VanDerWaalsContact CD1-SG 3.57Å; L115-R215 HydrophobicContact CD2-CB 4.42Å; L115-R215 HydrophobicContact CD2-CG 3.48Å; L115-R215 VanDerWaalsContact CD2-CG 3.48Å; L115-H219 WeakPolarHBondContact CD2-CD2 3.47Å; L115-H219 VanDerWaalsContact CD2-NE2 3.33Å; L115-H219 WeakPolarHBondContact CD2-NE2 3.45Å
116L74.3Confident69.4Low37 Ų3730.4 Ų30.419%0.19417%0.167CC..Hα-helixtrans-61.8-48.9175-176.568.1000110.8G112 L113 S119 Q120 Y209 A212G112-L116 PolarHBondContact O-N 3.48Å; L113-L116 PolarHBondContact O-N 2.94Å; L116-S119 PolarHBondContact O-N 3.15Å; L116-S119 PolarHBondContact O-OG 3.24Å; L116-Q120 PolarHBondContact O-N 3.16Å; L116-Y209 HydrophobicContact CD2-CD2 3.29Å; L116-Y209 HydrophobicContact CD2-CE2 3.19Å; L116-Y209 HydrophobicContact CD2-CG 4.01Å; L116-A212 HydrophobicContact CB-CB 4.49Å; L116-A212 HydrophobicContact CD2-CB 4.45Å
117L74.4Confident66.9Low8 Ų834.5 Ų34.54%0.04220%0.196CC..Hα-helixtrans-65.2-42.9-178.7-66.8171.4000112.2Q73 L76 I77 L113 A114 S119 Q120 D121Q73-L117 HydrophobicContact CB-CD1 3.9Å; Q73-L117 HydrophobicContact CB-CD2 4.25Å; Q73-L117 HydrophobicContact CG-CD1 3.83Å; Q73-L117 HydrophobicContact CG-CD2 3.9Å; L76-L117 HydrophobicContact CD2-CD1 4.17Å; I77-L117 HydrophobicContact CD1-CB 3.83Å; I77-L117 HydrophobicContact CG1-CB 3.87Å; I77-L117 HydrophobicContact CG1-CD1 4.43Å; L113-L117 HydrophobicContact CD1-CD1 4.23Å; L113-L117 HydrophobicContact CD1-CG 4.19Å; L113-L117 HydrophobicContact CD2-CD1 4.5Å; L113-L117 HydrophobicContact CG-CD1 3.91Å; L113-L117 HydrophobicContact CG-CG 4.32Å; L113-L117 VanDerWaalsContact O-CG 3.32Å; L113-L117 WeakPolarHBondContact O-CG 3.49Å; L113-L117 PolarHBondContact O-N 2.94Å; A114-L117 PolarHBondContact O-N 2.84Å; L117-S119 VanDerWaalsContact C-N 3.26Å; L117-S119 PolarHBondContact O-N 3.07Å; L117-Q120 WeakPolarHBondContact O-CB 3.03Å; L117-Q120 PolarHBondContact O-N 3.48Å; L117-D121 PolarHBondContact O-N 3.36Å
118L70.9Confident64.5Low18 Ų1842.5 Ų42.59%0.09423%0.234CC..Hα-helixtrans-63.1-32.4175-85.3166.7000112.5I77 A114 Q120 V122 C144I77-L118 HydrophobicContact CG1-CG 4.42Å; I77-L118 HydrophobicContact CG2-CD2 3.53Å; I77-L118 HydrophobicContact CG2-CG 3.92Å; A114-L118 VanDerWaalsContact O-CB 3.3Å; A114-L118 WeakPolarHBondContact O-CB 3.39Å; A114-L118 WeakPolarHBondContact O-CG 3.49Å; A114-L118 PolarHBondContact O-N 3.12Å; L118-Q120 VanDerWaalsContact C-N 3.29Å; L118-V122 VanDerWaalsContact O-CG2 3.26Å; L118-V122 WeakPolarHBondContact O-CG2 3.31Å; L118-V122 PolarHBondContact O-N 3.47Å; L118-C144 WeakPolarHBondContact CD1-SG 3.29Å
119S64.9Low62Low31 Ų3148.6 Ų48.622%0.21727%0.265CS..Hα-helixtrans-70.1-27173.767.70000113L115 L116 L117 T123L115-S119 WeakPolarHBondContact O-CB 3.42Å; L115-S119 PolarHBondContact O-N 3.3Å; L115-S119 PolarHBondContact O-OG 3.35Å; L116-S119 PolarHBondContact O-N 3.15Å; L116-S119 PolarHBondContact O-OG 3.24Å; L117-S119 VanDerWaalsContact C-N 3.26Å; L117-S119 PolarHBondContact O-N 3.07Å; S119-T123 WeakPolarHBondContact O-CG2 3.42Å
120Q59.8Low59.4Low75 Ų7551.3 Ų51.335%0.3529%0.287SS..Hα-helixtrans-81-44.4176.5-69175-9.800112.3L116 L117 L118 V122 T123 T124L116-Q120 PolarHBondContact O-N 3.16Å; L117-Q120 WeakPolarHBondContact O-CB 3.03Å; L117-Q120 PolarHBondContact O-N 3.48Å; L118-Q120 VanDerWaalsContact C-N 3.29Å; Q120-V122 PolarHBondContact O-N 2.99Å; Q120-T123 WeakPolarHBondContact O-CA 3.34Å; Q120-T123 WeakPolarHBondContact O-CB 3.47Å; Q120-T123 PolarHBondContact O-N 3.1Å; Q120-T123 PolarHBondContact O-OG1 3.04Å; Q120-T124 PolarHBondContact O-N 3.44Å; Q120-T124 PolarHBondContact O-OG1 3.02Å
121D51.3Low56.8Low57 Ų5758 Ų5831%0.30533%0.328SS..Hα-helixtrans-62.5-32.9-176.9-164.218.5000112.4L117 T123 T124 N125L117-D121 PolarHBondContact O-N 3.36Å; D121-T123 VanDerWaalsContact C-N 3.3Å; D121-T123 PolarHBondContact O-N 3.4Å; D121-T124 WeakPolarHBondContact CA-OG1 3.16Å; D121-T124 PolarHBondContact O-OG1 3.23Å; D121-N125 PolarHBondContact O-N 3.11Å; D121-N125 PolarHBondContact O-ND2 2.67Å; D121-N125 PolarHBondContact OD1-ND2 3.09Å
122V46.4Very low54Low48 Ų4864.9 Ų64.929%0.29136%0.36SS..Hα-helixtrans-63.9-36171.3175.50000111.1L118 Q120 Q126L118-V122 VanDerWaalsContact O-CG2 3.26Å; L118-V122 WeakPolarHBondContact O-CG2 3.31Å; L118-V122 PolarHBondContact O-N 3.47Å; Q120-V122 PolarHBondContact O-N 2.99Å; V122-Q126 VanDerWaalsContact CG1-NE2 3.35Å; V122-Q126 VanDerWaalsContact O-CB 3.32Å; V122-Q126 WeakPolarHBondContact O-CB 3.4Å; V122-Q126 WeakPolarHBondContact O-CG 3.04Å; V122-Q126 PolarHBondContact O-OE1 3.38Å
123T43.6Very low51.5Low59 Ų5969 Ų6936%0.36239%0.387SS..Hα-helixtrans-76.2-37.5179.162.20000113.5S119 Q120 D121 Q126 S127S119-T123 WeakPolarHBondContact O-CG2 3.42Å; Q120-T123 WeakPolarHBondContact O-CA 3.34Å; Q120-T123 WeakPolarHBondContact O-CB 3.47Å; Q120-T123 PolarHBondContact O-N 3.1Å; Q120-T123 PolarHBondContact O-OG1 3.04Å; D121-T123 VanDerWaalsContact C-N 3.3Å; D121-T123 PolarHBondContact O-N 3.4Å; T123-Q126 PolarHBondContact O-N 2.69Å; T123-S127 PolarHBondContact O-N 3.26Å
124T40.5Very low49.3Very low84 Ų8473.6 Ų73.652%0.51541%0.408SS..Hα-helixtrans-74.4-38-178.5350000113.4Q120 D121 Q126 S127Q120-T124 PolarHBondContact O-N 3.44Å; Q120-T124 PolarHBondContact O-OG1 3.02Å; D121-T124 WeakPolarHBondContact CA-OG1 3.16Å; D121-T124 PolarHBondContact O-OG1 3.23Å; T124-Q126 PolarHBondContact O-N 3.13Å; T124-S127 PolarHBondContact O-OG 2.95Å
125N37.2Very low47.1Very low103 Ų10380.5 Ų80.555%0.55143%0.434SS*.THydrogen-bonded Turntrans-72.2-15.7175.6-68.5-47.8000112.7D121D121-N125 PolarHBondContact O-N 3.11Å; D121-N125 PolarHBondContact O-ND2 2.67Å; D121-N125 PolarHBondContact OD1-ND2 3.09Å
126Q38.9Very low45.3Very low72 Ų7282.8 Ų82.834%0.33645%0.446SS..THydrogen-bonded Turntrans-95.5-21.2-177.2-74.1175.5-0.600113.9V122 T123 T124 E128 L129V122-Q126 VanDerWaalsContact CG1-NE2 3.35Å; V122-Q126 VanDerWaalsContact O-CB 3.32Å; V122-Q126 WeakPolarHBondContact O-CB 3.4Å; V122-Q126 WeakPolarHBondContact O-CG 3.04Å; V122-Q126 PolarHBondContact O-OE1 3.38Å; T123-Q126 PolarHBondContact O-N 2.69Å; T124-Q126 PolarHBondContact O-N 3.13Å; Q126-E128 PolarHBondContact O-N 3.38Å; Q126-L129 PolarHBondContact O-N 2.93Å; Q126-L129 VanDerWaalsContact O-N 3.09Å
127S34.7Very low43.7Very low93 Ų9385.3 Ų85.365%0.6546%0.459SS*.THydrogen-bonded Turntrans-60.9-16.8172.956.50000113.1T123 T124T123-S127 PolarHBondContact O-N 3.26Å; T124-S127 PolarHBondContact O-OG 2.95Å
128E39.3Very low42.4Very low168 Ų16887.4 Ų87.479%0.78547%0.473SS*.THydrogen-bonded Turntrans-95.7-14.7176.7-66-169.9165.500114.3Q126Q126-E128 PolarHBondContact O-N 3.38Å
129L36.4Very low41.3Very low128 Ų12891 Ų9167%0.6750%0.496SS*.SBendtrans-139.3106.3-175.5-81113000113.7Q126Q126-L129 PolarHBondContact O-N 2.93Å; Q126-L129 VanDerWaalsContact O-N 3.09Å
130S31.5Very low40.8Very low85 Ų8590.4 Ų90.459%0.59449%0.491SS*.  trans83.1131.8162.482.70000118.5E132S130-E132 VanDerWaalsContact C-N 3.3Å; S130-E132 PolarHBondContact O-N 2.68Å
131T33.5Very low41Very low142 Ų14287.2 Ų87.287%0.87148%0.477SS*.SBendtrans-86.929.2-178.841.80000113.9
132E28.5Very low41.9Very low143 Ų14390.3 Ų90.367%0.66849%0.488SS*.SBendtrans-98135.6167.1-74.5-165.2161.600109.8S130 Q134S130-E132 VanDerWaalsContact C-N 3.3Å; S130-E132 PolarHBondContact O-N 2.68Å; E132-Q134 VanDerWaalsContact C-N 3.35Å; E132-Q134 HydrophobicContact CB-CG 4.39Å; E132-Q134 PolarHBondContact O-N 3.05Å
133P31.1Very low43Very low88 Ų8888.8 Ų88.857%0.57148%0.479SS*.  trans-66.795.9173.328.3-33.5000108.7V329P133-V329 HydrophobicContact CG-CG2 3.75Å
134Q36.7Very low44.4Very low105 Ų10586 Ų8649%0.49146%0.462SS..  trans-89133.8-179.6-71.1-170.23.300111.2E132E132-Q134 VanDerWaalsContact C-N 3.35Å; E132-Q134 HydrophobicContact CB-CG 4.39Å; E132-Q134 PolarHBondContact O-N 3.05Å
135R37.2Very low46.4Very low145 Ų14583.2 Ų83.255%0.54744%0.444SS..  trans-60.3134.9-173.6-56.2175.3-175176.8-1.7110.9L137 F434R135-L137 WeakPolarHBondContact O-CD1 3.18Å; R135-L137 PolarHBondContact O-N 2.88Å; R135-F434 HydrophobicContact CB-CE2 3.81Å; R135-F434 HydrophobicContact CG-CE2 4.24Å
136I41.1Very low48.6Very low50 Ų5078.3 Ų78.326%0.25642%0.417SS..  trans-63.8107.7165.3-61.1167.5000107.1I360 C361I136-I360 HydrophobicContact CD1-CB 4.39Å; I136-C361 VanDerWaalsContact CB-SG 3.6Å; I136-C361 VanDerWaalsContact CD1-SG 3.56Å; I136-C361 VanDerWaalsContact CG2-SG 3.55Å
137L40.9Very low50.8Low89 Ų8974.9 Ų74.947%0.46640%0.401SS..  trans-75.2142.2-170.5-88108.5000112.3R135 T139 S140R135-L137 WeakPolarHBondContact O-CD1 3.18Å; R135-L137 PolarHBondContact O-N 2.88Å; L137-T139 HydrophobicContact CB-CG2 4.47Å; L137-T139 WeakPolarHBondContact CB-OG1 3.39Å; L137-T139 HydrophobicContact CD2-CG2 4.05Å; L137-T139 PolarHBondContact O-N 2.89Å; L137-S140 PolarHBondContact O-OG 3.42Å
138P45.8Very low53.3Low52 Ų5270.5 Ų70.534%0.33837%0.371SS..THydrogen-bonded Turntrans-58.1-11.7168.1-22.631.8000115.2M141P138-M141 HydrophobicContact CB-SD 4.44Å; P138-M141 WeakPolarHBondContact O-CB 3.23Å; P138-M141 PolarHBondContact O-N 3.36Å
139T48.4Very low55.3Low95 Ų9565.5 Ų65.558%0.58335%0.348SS*.Hα-helixtrans-68.5-34-174.551.20000112.8L137 M141L137-T139 HydrophobicContact CB-CG2 4.47Å; L137-T139 WeakPolarHBondContact CB-OG1 3.39Å; L137-T139 HydrophobicContact CD2-CG2 4.05Å; L137-T139 PolarHBondContact O-N 2.89Å; T139-M141 PolarHBondContact O-N 3.48Å
140S54.8Low57.3Low17 Ų1760 Ų6012%0.11932%0.32CS..Hα-helixtrans-65.8-28.2174.658.70000112.2L137 S143 C144L137-S140 PolarHBondContact O-OG 3.42Å; S140-S143 PolarHBondContact O-N 3.39Å; S140-C144 PolarHBondContact O-N 3.02Å; S140-C144 PolarHBondContact O-SG 3.08Å
141M63.8Low59.7Low8 Ų856.1 Ų56.14%0.03929%0.293CS..Hα-helixtrans-67.8-39.2-176.4-57.9176.4174.800112.4L115 P138 T139 C144 L145 D365 R368L115-M141 HydrophobicContact CD1-CG 4.42Å; P138-M141 HydrophobicContact CB-SD 4.44Å; P138-M141 WeakPolarHBondContact O-CB 3.23Å; P138-M141 PolarHBondContact O-N 3.36Å; T139-M141 PolarHBondContact O-N 3.48Å; M141-C144 PolarHBondContact O-N 3.44Å; M141-L145 PolarHBondContact O-N 2.66Å; M141-D365 WeakPolarHBondContact CE-OD1 3.32Å; M141-R368 PolarHBondContact SD-NH1 3.4Å; M141-R368 PolarHBondContact SD-NH2 2.82Å; M141-R368 VanDerWaalsContact SD-NH2 3.41Å
142K69Low61.9Low123 Ų12349.9 Ų49.954%0.53525%0.254SS..Hα-helixtrans-63.9-42.6176.3-70.4-167.9176.1-169.80111N84 C144 L145N84-K142 VanDerWaalsContact CG-C 3.47Å; N84-K142 PolarHBondContact OD1-O 2.78Å; K142-C144 VanDerWaalsContact C-N 3.28Å; K142-C144 PolarHBondContact O-N 3.29Å; K142-L145 PolarHBondContact O-N 2.86Å; K142-L145 VanDerWaalsContact O-N 3.12Å
143S70.2Confident64.1Low15 Ų1544.7 Ų44.711%0.10524%0.235CC..Hα-helixtrans-57.9-39.9177.8-64.20000112.7A80 N84 S140 L145 G146A80-S143 CarbonylContact C-O 3.37Å; A80-S143 WeakPolarHBondContact CB-O 3.48Å; N84-S143 PolarHBondContact ND2-N 3.42Å; S140-S143 PolarHBondContact O-N 3.39Å; S143-L145 VanDerWaalsContact C-N 3.28Å; S143-L145 PolarHBondContact O-N 3.3Å; S143-G146 PolarHBondContact O-N 2.93Å; S143-G146 VanDerWaalsContact O-N 3.16Å
144C73.2Confident66.1Low1 Ų141.1 Ų41.11%0.00721%0.211CC..Hα-helixtrans-64.1-33.8179.1-57.50000112.9L115 L118 S140 M141 K142 G146L115-C144 WeakPolarHBondContact CA-SG 3.42Å; L115-C144 HydrophobicContact CB-CB 4.24Å; L115-C144 HydrophobicContact CD1-CB 4.3Å; L115-C144 VanDerWaalsContact CD1-SG 3.57Å; L118-C144 WeakPolarHBondContact CD1-SG 3.29Å; S140-C144 PolarHBondContact O-N 3.02Å; S140-C144 PolarHBondContact O-SG 3.08Å; M141-C144 PolarHBondContact O-N 3.44Å; K142-C144 VanDerWaalsContact C-N 3.28Å; K142-C144 PolarHBondContact O-N 3.29Å; C144-G146 PolarHBondContact O-N 3.03Å
145L82.8Confident67.6Low25 Ų2536.2 Ų36.213%0.13119%0.188CC..THydrogen-bonded Turntrans-71.6-8.1179.1-68.1171.5000113M141 K142 S143 Y147 W148 M149 H219 I220M141-L145 PolarHBondContact O-N 2.66Å; K142-L145 PolarHBondContact O-N 2.86Å; K142-L145 VanDerWaalsContact O-N 3.12Å; S143-L145 VanDerWaalsContact C-N 3.28Å; S143-L145 PolarHBondContact O-N 3.3Å; L145-Y147 PolarHBondContact O-N 3.09Å; L145-Y147 VanDerWaalsContact O-N 3.15Å; L145-W148 HydrophobicContact CD2-CB 4.45Å; L145-W148 WeakPolarHBondContact O-CB 2.95Å; L145-W148 PolarHBondContact O-N 3.32Å; L145-M149 HydrophobicContact CB-CG 4.36Å; L145-M149 WeakPolarHBondContact O-CG 3.25Å; L145-M149 PolarHBondContact O-N 3.2Å; L145-H219 HydrophobicContact CD2-CB 4.42Å; L145-I220 HydrophobicContact CD2-CG1 4.38Å
146G82.6Confident68.6Low0 Ų034.8 Ų34.80%019%0.188CC..Hα-helixtrans-52.5-38.6178.900000113.2S143 C144 S150S143-G146 PolarHBondContact O-N 2.93Å; S143-G146 VanDerWaalsContact O-N 3.16Å; C144-G146 PolarHBondContact O-N 3.03Å; G146-S150 VanDerWaalsContact O-CB 3.26Å; G146-S150 WeakPolarHBondContact O-CB 3.42Å; G146-S150 PolarHBondContact O-N 2.9Å; G146-S150 PolarHBondContact O-OG 3.43Å
147Y86Confident69.4Low0 Ų036.7 Ų36.70%021%0.205CC..Hα-helixtrans-63.1-49.6174-68.6-72.9000112.5L43 L49 L76 L79 A80 L83 I110 A114 L145 S150 Y151L43-Y147 HydrophobicContact CD2-CD1 3.9Å; L43-Y147 HydrophobicContact CD2-CE1 4.34Å; L49-Y147 HydrophobicContact CD2-CD1 4.35Å; L49-Y147 HydrophobicContact CD2-CE1 3.97Å; L76-Y147 PolarHBondContact O-OH 2.85Å; L76-Y147 VanDerWaalsContact O-OH 3.09Å; L79-Y147 HydrophobicContact CD2-CE1 3.58Å; L79-Y147 HydrophobicContact CG-CE1 4.17Å; A80-Y147 HydrophobicContact CB-CD2 4.14Å; A80-Y147 HydrophobicContact CB-CE2 3.6Å; L83-Y147 HydrophobicContact CD1-CD1 3.75Å; L83-Y147 HydrophobicContact CD1-CE1 3.97Å; L83-Y147 HydrophobicContact CD1-CG 4.23Å; I110-Y147 HydrophobicContact CD1-CD1 4.28Å; I110-Y147 HydrophobicContact CD1-CE1 3.61Å; I110-Y147 HydrophobicContact CD1-CE2 4.25Å; I110-Y147 HydrophobicContact CG1-CE1 4.27Å; I110-Y147 HydrophobicContact CG1-CE2 4.05Å; I110-Y147 HydrophobicContact CG2-CD1 3.93Å; I110-Y147 HydrophobicContact CG2-CD2 3.97Å; I110-Y147 HydrophobicContact CG2-CE1 4.3Å; I110-Y147 HydrophobicContact CG2-CE2 4.32Å; I110-Y147 HydrophobicContact CG2-CG 3.75Å; A114-Y147 HydrophobicContact CB-CE2 4.24Å; L145-Y147 PolarHBondContact O-N 3.09Å; L145-Y147 VanDerWaalsContact O-N 3.15Å; Y147-S150 PolarHBondContact O-N 3.44Å; Y147-Y151 WeakPolarHBondContact O-CB 3.26Å; Y147-Y151 PolarHBondContact O-N 3.2Å
148W86.2Confident70.5Confident2 Ų234.1 Ų34.11%0.00820%0.195CC..Hα-helixtrans-62.2-47.3178.9171.7-110.4000112.1I107 L145 S150 Y151 L152 T165 L169 I220 S223 I224 M280I107-W148 HydrophobicContact CG2-CB 4.47Å; I107-W148 HydrophobicContact CG2-CE3 4.12Å; L145-W148 HydrophobicContact CD2-CB 4.45Å; L145-W148 WeakPolarHBondContact O-CB 2.95Å; L145-W148 PolarHBondContact O-N 3.32Å; W148-S150 VanDerWaalsContact C-N 3.31Å; W148-S150 PolarHBondContact O-N 3.4Å; W148-Y151 HydrophobicContact CE3-CD1 4.07Å; W148-Y151 AromaticContact CZ3-CD1 3.82Å; W148-Y151 HydrophobicContact CZ3-CD1 3.82Å; W148-Y151 HydrophobicContact CZ3-CE1 4.19Å; W148-Y151 WeakPolarHBondContact O-CB 3.37Å; W148-Y151 PolarHBondContact O-N 2.95Å; W148-L152 HydrophobicContact CD2-CD1 4.36Å; W148-L152 HydrophobicContact CD2-CG 4.17Å; W148-L152 VanDerWaalsContact CE2-CD1 3.48Å; W148-L152 HydrophobicContact CH2-CD2 3.83Å; W148-L152 HydrophobicContact CH2-CG 4.22Å; W148-L152 HydrophobicContact CZ2-CD1 3.71Å; W148-L152 HydrophobicContact CZ2-CD2 3.51Å; W148-L152 HydrophobicContact CZ2-CG 3.64Å; W148-L152 PolarHBondContact O-N 3.21Å; W148-T165 HydrophobicContact CH2-CG2 3.99Å; W148-T165 HydrophobicContact CZ3-CG2 4.49Å; W148-L169 HydrophobicContact CH2-CD1 3.7Å; W148-L169 HydrophobicContact CZ2-CD1 4.25Å; W148-L169 HydrophobicContact CZ3-CD1 4.28Å; W148-I220 HydrophobicContact CB-CD1 4.41Å; W148-I220 HydrophobicContact CB-CG1 4.01Å; W148-I220 HydrophobicContact CD2-CB 4.36Å; W148-I220 HydrophobicContact CD2-CD1 4.34Å; W148-I220 HydrophobicContact CD2-CG1 4.01Å; W148-I220 HydrophobicContact CD2-CG2 3.56Å; W148-I220 HydrophobicContact CE3-CD1 4.06Å; W148-I220 HydrophobicContact CE3-CG1 4.24Å; W148-I220 HydrophobicContact CE3-CG2 3.77Å; W148-I220 HydrophobicContact CG-CB 4.5Å; W148-I220 HydrophobicContact CG-CD1 4.48Å; W148-I220 HydrophobicContact CG-CG1 3.88Å; W148-I220 HydrophobicContact CG-CG2 4.14Å; W148-I220 HydrophobicContact CH2-CG2 4.01Å; W148-I220 HydrophobicContact CZ2-CG2 3.78Å; W148-I220 HydrophobicContact CZ3-CG2 3.98Å; W148-S223 PolarHBondContact NE1-OG 3.41Å; W148-I224 HydrophobicContact CH2-CD1 4.41Å; W148-I224 HydrophobicContact CZ2-CD1 3.72Å; W148-I224 HydrophobicContact CZ2-CG1 3.99Å; W148-M280 HydrophobicContact CH2-SD 4.27Å; W148-M280 HydrophobicContact CZ2-SD 4.03Å
149M81Confident71.5Confident62 Ų6235.6 Ų35.631%0.30521%0.206SC..Hα-helixtrans-64-38.4179.3-63.5-52.8-67.100111.7L145 L152 A153L145-M149 HydrophobicContact CB-CG 4.36Å; L145-M149 WeakPolarHBondContact O-CG 3.25Å; L145-M149 PolarHBondContact O-N 3.2Å; M149-L152 PolarHBondContact O-N 2.79Å; M149-L152 HydrophobicContact SD-CD1 4.28Å; M149-A153 PolarHBondContact O-N 2.93Å
150S79.2Confident72.6Confident13 Ų1334.9 Ų34.99%0.09120%0.204CC..Hα-helixtrans-69.6-36.8176.2-55.20000112L83 G146 Y147 W148 A153 M154L83-S150 WeakPolarHBondContact CD2-OG 3.48Å; G146-S150 VanDerWaalsContact O-CB 3.26Å; G146-S150 WeakPolarHBondContact O-CB 3.42Å; G146-S150 PolarHBondContact O-N 2.9Å; G146-S150 PolarHBondContact O-OG 3.43Å; Y147-S150 PolarHBondContact O-N 3.44Å; W148-S150 VanDerWaalsContact C-N 3.31Å; W148-S150 PolarHBondContact O-N 3.4Å; S150-A153 PolarHBondContact O-N 3.29Å; S150-M154 WeakPolarHBondContact O-CG 3.31Å
151Y82.5Confident73.6Confident4 Ų435.1 Ų35.12%0.01620%0.204CC..Hα-helixtrans-64-45.1172.2177.6-116.6000111.5I96 F103 I104 I107 Y147 W148 A153 M154 F155I96-Y151 HydrophobicContact CD1-CE2 4.15Å; F103-Y151 AromaticContact CD1-CD2 3.89Å; F103-Y151 HydrophobicContact CD1-CD2 3.89Å; F103-Y151 AromaticContact CD1-CE2 3.46Å; F103-Y151 HydrophobicContact CD1-CE2 3.46Å; F103-Y151 VanDerWaalsContact CD1-CE2 3.46Å; F103-Y151 AromaticContact CE1-CD2 3.52Å; F103-Y151 HydrophobicContact CE1-CD2 3.52Å; F103-Y151 AromaticContact CE1-CE2 3.6Å; F103-Y151 HydrophobicContact CE1-CE2 3.6Å; F103-Y151 HydrophobicContact CZ-CD2 4.47Å; I104-Y151 HydrophobicContact CG1-CE1 3.83Å; I104-Y151 WeakPolarHBondContact CG1-OH 3.5Å; I107-Y151 HydrophobicContact CG1-CD2 4.31Å; I107-Y151 HydrophobicContact CG1-CG 4.08Å; Y147-Y151 WeakPolarHBondContact O-CB 3.26Å; Y147-Y151 PolarHBondContact O-N 3.2Å; W148-Y151 HydrophobicContact CE3-CD1 4.07Å; W148-Y151 AromaticContact CZ3-CD1 3.82Å; W148-Y151 HydrophobicContact CZ3-CD1 3.82Å; W148-Y151 HydrophobicContact CZ3-CE1 4.19Å; W148-Y151 WeakPolarHBondContact O-CB 3.37Å; W148-Y151 PolarHBondContact O-N 2.95Å; Y151-A153 VanDerWaalsContact C-N 3.3Å; Y151-A153 PolarHBondContact O-N 3.25Å; Y151-M154 HydrophobicContact CD2-SD 4.12Å; Y151-M154 VanDerWaalsContact O-CB 3.25Å; Y151-M154 WeakPolarHBondContact O-CB 3.21Å; Y151-M154 WeakPolarHBondContact O-CG 3.49Å; Y151-M154 PolarHBondContact O-N 3.37Å; Y151-F155 AromaticContact CD1-CE2 3.88Å; Y151-F155 HydrophobicContact CD1-CE2 3.88Å; Y151-F155 HydrophobicContact CD2-CE2 4.43Å; Y151-F155 AromaticContact CE1-CE2 3.41Å; Y151-F155 HydrophobicContact CE1-CE2 3.41Å; Y151-F155 VanDerWaalsContact CE1-CE2 3.41Å; Y151-F155 AromaticContact CE1-CZ 3.76Å; Y151-F155 HydrophobicContact CE1-CZ 3.76Å; Y151-F155 AromaticContact CE2-CE2 3.99Å; Y151-F155 HydrophobicContact CE2-CE2 3.99Å; Y151-F155 HydrophobicContact CE2-CZ 4.29Å; Y151-F155 HydrophobicContact CG-CE2 4.38Å; Y151-F155 AromaticContact CZ-CE2 3.48Å; Y151-F155 VanDerWaalsContact CZ-CE2 3.48Å; Y151-F155 AromaticContact CZ-CZ 3.55Å; Y151-F155 WeakPolarHBondContact O-CD2 3.35Å; Y151-F155 WeakPolarHBondContact OH-CZ 3.33Å
152L78.5Confident74.3Confident10 Ų1035.5 Ų35.55%0.05221%0.206CC..Hα-helixtrans-56.9-44.2174.6-80-176.8000111.8W148 M149 M154 F155 Q278 M280W148-L152 HydrophobicContact CD2-CD1 4.36Å; W148-L152 HydrophobicContact CD2-CG 4.17Å; W148-L152 VanDerWaalsContact CE2-CD1 3.48Å; W148-L152 HydrophobicContact CH2-CD2 3.83Å; W148-L152 HydrophobicContact CH2-CG 4.22Å; W148-L152 HydrophobicContact CZ2-CD1 3.71Å; W148-L152 HydrophobicContact CZ2-CD2 3.51Å; W148-L152 HydrophobicContact CZ2-CG 3.64Å; W148-L152 PolarHBondContact O-N 3.21Å; M149-L152 PolarHBondContact O-N 2.79Å; M149-L152 HydrophobicContact SD-CD1 4.28Å; L152-M154 PolarHBondContact O-N 3.34Å; L152-F155 WeakPolarHBondContact O-CB 3.49Å; L152-F155 PolarHBondContact O-N 3.36Å; L152-Q278 PolarHBondContact O-OE1 3.03Å; L152-M280 HydrophobicContact CD2-SD 4.37Å
153A75Confident74.9Confident34 Ų3432.4 Ų32.428%0.28120%0.195SC..THydrogen-bonded Turntrans-59.9-16.8177.500000114.1M149 S150 Y151 F155M149-A153 PolarHBondContact O-N 2.93Å; S150-A153 PolarHBondContact O-N 3.29Å; Y151-A153 VanDerWaalsContact C-N 3.3Å; Y151-A153 PolarHBondContact O-N 3.25Å; A153-F155 VanDerWaalsContact C-N 3.32Å
154M73.9Confident75.6Confident14 Ų1435.1 Ų35.17%0.06921%0.208CC..THydrogen-bonded Turntrans-75.7-19.7173.4-51.4-177.172.300113R44 L92 I96 F103 S150 Y151 L152 H156R44-M154 HydrophobicContact CG-CE 3.79Å; L92-M154 HydrophobicContact CD1-CB 4.37Å; L92-M154 HydrophobicContact CD1-CG 3.85Å; I96-M154 HydrophobicContact CD1-CB 3.59Å; I96-M154 HydrophobicContact CD1-CE 3.79Å; I96-M154 HydrophobicContact CD1-CG 4.36Å; I96-M154 HydrophobicContact CD1-SD 3.94Å; I96-M154 HydrophobicContact CG1-CB 4.05Å; I96-M154 HydrophobicContact CG1-CE 4.17Å; F103-M154 HydrophobicContact CE1-SD 4.3Å; S150-M154 WeakPolarHBondContact O-CG 3.31Å; Y151-M154 HydrophobicContact CD2-SD 4.12Å; Y151-M154 VanDerWaalsContact O-CB 3.25Å; Y151-M154 WeakPolarHBondContact O-CB 3.21Å; Y151-M154 WeakPolarHBondContact O-CG 3.49Å; Y151-M154 PolarHBondContact O-N 3.37Å; L152-M154 PolarHBondContact O-N 3.34Å; M154-H156 PolarHBondContact O-N 3.35Å
155F68.2Low76.3Confident2 Ų235.1 Ų35.11%0.00921%0.208CC..SBendtrans-82.7104.9175.4-66.3-90.7000109.5Y151 L152 A153 S157 L161 Q278Y151-F155 AromaticContact CD1-CE2 3.88Å; Y151-F155 HydrophobicContact CD1-CE2 3.88Å; Y151-F155 HydrophobicContact CD2-CE2 4.43Å; Y151-F155 AromaticContact CE1-CE2 3.41Å; Y151-F155 HydrophobicContact CE1-CE2 3.41Å; Y151-F155 VanDerWaalsContact CE1-CE2 3.41Å; Y151-F155 AromaticContact CE1-CZ 3.76Å; Y151-F155 HydrophobicContact CE1-CZ 3.76Å; Y151-F155 AromaticContact CE2-CE2 3.99Å; Y151-F155 HydrophobicContact CE2-CE2 3.99Å; Y151-F155 HydrophobicContact CE2-CZ 4.29Å; Y151-F155 HydrophobicContact CG-CE2 4.38Å; Y151-F155 AromaticContact CZ-CE2 3.48Å; Y151-F155 VanDerWaalsContact CZ-CE2 3.48Å; Y151-F155 AromaticContact CZ-CZ 3.55Å; Y151-F155 WeakPolarHBondContact O-CD2 3.35Å; Y151-F155 WeakPolarHBondContact OH-CZ 3.33Å; L152-F155 WeakPolarHBondContact O-CB 3.49Å; L152-F155 PolarHBondContact O-N 3.36Å; A153-F155 VanDerWaalsContact C-N 3.32Å; F155-S157 PolarHBondContact O-N 2.67Å; F155-S157 VanDerWaalsContact O-N 3.14Å; F155-L161 HydrophobicContact CD1-CB 3.76Å; F155-L161 HydrophobicContact CD1-CD1 4.03Å; F155-L161 HydrophobicContact CE1-CB 3.89Å; F155-L161 HydrophobicContact CE1-CD1 4.33Å; F155-Q278 PolarHBondContact O-NE2 3.01Å; F155-Q278 PolarHBondContact O-OE1 3.18Å; F155-Q278 VanDerWaalsContact O-OE1 3.09Å
156H57.7Low76.5Confident115 Ų11533.9 Ų33.953%0.53220%0.202SC..  trans-78.3103.6168.8-152.6-59.2000109.4I95 M154 S158I95-H156 HydrophobicContact CD1-CB 4.14Å; I95-H156 HydrophobicContact CG1-CB 4Å; I95-H156 HydrophobicContact CG2-CB 3.94Å; M154-H156 PolarHBondContact O-N 3.35Å; H156-S158 PolarHBondContact O-N 2.98Å
157S57.2Low76.9Confident90 Ų9039.3 Ų39.363%0.62923%0.226SC*.SBendtrans46.922.7156.562.70000118.5F155F155-S157 PolarHBondContact O-N 2.67Å; F155-S157 VanDerWaalsContact O-N 3.14Å
158S64.5Low77.1Confident35 Ų3540.7 Ų40.725%0.24523%0.233CC..  trans-97.596.8178.547.10000109.5H156 C160 L161 M162H156-S158 PolarHBondContact O-N 2.98Å; S158-C160 PolarHBondContact O-N 3.3Å; S158-C160 VanDerWaalsContact O-N 3.09Å; S158-L161 PolarHBondContact O-N 3.3Å; S158-L161 VanDerWaalsContact OG-CD1 3.23Å; S158-L161 WeakPolarHBondContact OG-CD1 3.33Å; S158-L161 WeakPolarHBondContact OG-CG 3.43Å; S158-M162 PolarHBondContact O-N 2.9Å
159S67.1Low77.4Confident83 Ų8340.6 Ų40.658%0.5823%0.233SC*.Hα-helixtrans-52.8-31.417755.20000113.3M162 N163S159-M162 PolarHBondContact O-N 2.91Å; S159-N163 PolarHBondContact O-N 3.31Å
160C70.5Confident77.9Confident79 Ų7937.9 Ų37.953%0.53422%0.219SC..Hα-helixtrans-62.7-49.7175.6-167.10000112.4S158 M162 N163 D164S158-C160 PolarHBondContact O-N 3.3Å; S158-C160 VanDerWaalsContact O-N 3.09Å; C160-M162 VanDerWaalsContact C-N 3.26Å; C160-M162 PolarHBondContact O-N 3.45Å; C160-N163 PolarHBondContact O-N 3.06Å; C160-D164 PolarHBondContact O-N 3.24Å
161L75.8Confident78.4Confident23 Ų2341.8 Ų41.812%0.1224%0.239CC..Hα-helixtrans-65.2-34.3-179.5-62.7-174.3000111.3I96 I99 F155 S158 T165I96-L161 WeakPolarHBondContact O-CD1 3.46Å; I99-L161 HydrophobicContact CD1-CD2 4.22Å; I99-L161 HydrophobicContact CG1-CD2 3.93Å; F155-L161 HydrophobicContact CD1-CB 3.76Å; F155-L161 HydrophobicContact CD1-CD1 4.03Å; F155-L161 HydrophobicContact CE1-CB 3.89Å; F155-L161 HydrophobicContact CE1-CD1 4.33Å; S158-L161 PolarHBondContact O-N 3.3Å; S158-L161 VanDerWaalsContact OG-CD1 3.23Å; S158-L161 WeakPolarHBondContact OG-CD1 3.33Å; S158-L161 WeakPolarHBondContact OG-CG 3.43Å; L161-T165 WeakPolarHBondContact O-CB 3.48Å; L161-T165 PolarHBondContact O-N 3.48Å; L161-T165 PolarHBondContact O-OG1 2.94Å
162M79.3Confident78.8Confident16 Ų1642.2 Ų42.28%0.07924%0.241CC..Hα-helixtrans-62.5-48.4173.3-68.8179.417000111.4S158 S159 C160 D164 T165 M166 Q278 M280S158-M162 PolarHBondContact O-N 2.9Å; S159-M162 PolarHBondContact O-N 2.91Å; C160-M162 VanDerWaalsContact C-N 3.26Å; C160-M162 PolarHBondContact O-N 3.45Å; M162-D164 PolarHBondContact O-N 3.5Å; M162-T165 WeakPolarHBondContact O-CB 3.19Å; M162-T165 PolarHBondContact O-N 3.37Å; M162-M166 PolarHBondContact O-N 3.49Å; M162-Q278 HydrophobicContact CE-CB 4.24Å; M162-M280 HydrophobicContact CB-CG 4.38Å; M162-M280 WeakPolarHBondContact O-CE 3.39Å
163N81.3Confident79.4Confident57 Ų5741.7 Ų41.731%0.30524%0.239SC..Hα-helixtrans-61.7-42.2178.8-80.6-15.6000113S159 C160 T165 M166 K167S159-N163 PolarHBondContact O-N 3.31Å; C160-N163 PolarHBondContact O-N 3.06Å; N163-T165 VanDerWaalsContact C-N 3.32Å; N163-M166 WeakPolarHBondContact O-CB 3.24Å; N163-M166 PolarHBondContact O-N 2.86Å; N163-K167 PolarHBondContact O-N 2.95Å; N163-K167 VanDerWaalsContact O-N 3.11Å
164D84.6Confident80.1Confident72 Ų7242.6 Ų42.639%0.38524%0.243SC..Hα-helixtrans-65.6-38.3177.5-69-28.4000111.2I99 C160 M162 M166 K167 I168I99-D164 HydrophobicContact CD1-CB 3.25Å; C160-D164 PolarHBondContact O-N 3.24Å; M162-D164 PolarHBondContact O-N 3.5Å; D164-M166 VanDerWaalsContact C-N 3.34Å; D164-M166 PolarHBondContact O-N 2.95Å; D164-K167 PolarHBondContact O-N 3.27Å; D164-I168 WeakPolarHBondContact O-CG1 3.38Å; D164-I168 PolarHBondContact O-N 3.3Å
165T87.8Confident80.7Confident1 Ų146.8 Ų46.81%0.00626%0.258CS..Hα-helixtrans-61.4-41.8172.8-56.90000111I104 W148 L161 M162 N163 K167 I168 L169 M280I104-T165 HydrophobicContact CD1-CG2 4.07Å; W148-T165 HydrophobicContact CH2-CG2 3.99Å; W148-T165 HydrophobicContact CZ3-CG2 4.49Å; L161-T165 WeakPolarHBondContact O-CB 3.48Å; L161-T165 PolarHBondContact O-N 3.48Å; L161-T165 PolarHBondContact O-OG1 2.94Å; M162-T165 WeakPolarHBondContact O-CB 3.19Å; M162-T165 PolarHBondContact O-N 3.37Å; N163-T165 VanDerWaalsContact C-N 3.32Å; T165-K167 VanDerWaalsContact C-N 3.3Å; T165-K167 PolarHBondContact O-N 3.02Å; T165-I168 PolarHBondContact O-N 2.85Å; T165-L169 HydrophobicContact CG2-CD1 4.35Å; T165-L169 HydrophobicContact CG2-CG 4.48Å; T165-L169 WeakPolarHBondContact O-CG 3.37Å; T165-L169 PolarHBondContact O-N 3.38Å; T165-M280 HydrophobicContact CG2-CE 4.06Å
166M88.1Confident81.5Confident0 Ų047.3 Ų47.30%026%0.261CS..Hα-helixtrans-61.7-43.9178.9-169.559.3-171.500110.7M162 N163 D164 I168 L169 L170 L221 I224 M280 I282 Y286M162-M166 PolarHBondContact O-N 3.49Å; N163-M166 WeakPolarHBondContact O-CB 3.24Å; N163-M166 PolarHBondContact O-N 2.86Å; D164-M166 VanDerWaalsContact C-N 3.34Å; D164-M166 PolarHBondContact O-N 2.95Å; M166-I168 VanDerWaalsContact C-N 3.32Å; M166-I168 PolarHBondContact O-N 2.94Å; M166-L169 PolarHBondContact O-N 3.38Å; M166-L170 HydrophobicContact CE-CD1 4.04Å; M166-L170 HydrophobicContact CE-CD2 3.97Å; M166-L170 HydrophobicContact CE-CG 3.92Å; M166-L170 HydrophobicContact CG-CD1 4.09Å; M166-L170 HydrophobicContact CG-CG 4.44Å; M166-L170 WeakPolarHBondContact O-CG 3.33Å; M166-L170 PolarHBondContact O-N 2.84Å; M166-L221 HydrophobicContact CE-CD2 3.68Å; M166-L221 HydrophobicContact SD-CD2 4.14Å; M166-I224 HydrophobicContact SD-CD1 4.16Å; M166-I224 HydrophobicContact SD-CG2 4.39Å; M166-M280 HydrophobicContact CB-CE 3.29Å; M166-M280 HydrophobicContact CG-CE 4.08Å; M166-M280 HydrophobicContact SD-CE 3.81Å; M166-I282 HydrophobicContact CE-CD1 3.69Å; M166-I282 HydrophobicContact CE-CG1 4.01Å; M166-Y286 HydrophobicContact CB-CD2 4.15Å; M166-Y286 HydrophobicContact CB-CE2 4.07Å; M166-Y286 HydrophobicContact CG-CD2 3.6Å; M166-Y286 HydrophobicContact CG-CE2 4.03Å; M166-Y286 HydrophobicContact CG-CG 4.15Å
167K89.7Confident82.8Confident113 Ų11342 Ų4249%0.49124%0.236SC..Hα-helixtrans-62.1-40.9178.6-171.5175.1-178.7176.60111.7N163 D164 T165 L170 N171N163-K167 PolarHBondContact O-N 2.95Å; N163-K167 VanDerWaalsContact O-N 3.11Å; D164-K167 PolarHBondContact O-N 3.27Å; T165-K167 VanDerWaalsContact C-N 3.3Å; T165-K167 PolarHBondContact O-N 3.02Å; K167-L170 PolarHBondContact O-N 2.68Å; K167-N171 WeakPolarHBondContact O-CB 3.37Å; K167-N171 PolarHBondContact O-N 3.06Å; K167-N171 PolarHBondContact O-ND2 3.18Å
168I90.6Very high84.1Confident30 Ų3039.7 Ų39.715%0.15422%0.22CC..Hα-helixtrans-62.4-47.7175-68.1161.3000110.6I99 I101 I104 D164 T165 M166 L170 N171 E172I99-I168 HydrophobicContact CD1-CD1 4.39Å; I99-I168 HydrophobicContact CG2-CD1 3.59Å; I101-I168 HydrophobicContact CG1-CD1 4.06Å; I104-I168 HydrophobicContact CD1-CB 4.42Å; I104-I168 HydrophobicContact CD1-CD1 3.83Å; I104-I168 HydrophobicContact CD1-CG2 4.09Å; I104-I168 HydrophobicContact CG2-CG2 4.16Å; D164-I168 WeakPolarHBondContact O-CG1 3.38Å; D164-I168 PolarHBondContact O-N 3.3Å; T165-I168 PolarHBondContact O-N 2.85Å; M166-I168 VanDerWaalsContact C-N 3.32Å; M166-I168 PolarHBondContact O-N 2.94Å; I168-L170 PolarHBondContact O-N 2.92Å; I168-N171 PolarHBondContact O-N 3.31Å; I168-E172 VanDerWaalsContact O-CB 3.29Å; I168-E172 WeakPolarHBondContact O-CB 3.17Å; I168-E172 PolarHBondContact O-N 3.1Å
169L92.4Very high84.8Confident0 Ų042.5 Ų42.50%023%0.232CC..Hα-helixtrans-60.4-43178.5-66.2173.9000112.2I104 I108 W148 T165 M166 E172 C173 L217 I220 L221 I224 M280I104-L169 HydrophobicContact CG2-CD2 3.96Å; I108-L169 HydrophobicContact CD1-CD2 3.9Å; I108-L169 HydrophobicContact CG1-CD2 4.21Å; W148-L169 HydrophobicContact CH2-CD1 3.7Å; W148-L169 HydrophobicContact CZ2-CD1 4.25Å; W148-L169 HydrophobicContact CZ3-CD1 4.28Å; T165-L169 HydrophobicContact CG2-CD1 4.35Å; T165-L169 HydrophobicContact CG2-CG 4.48Å; T165-L169 WeakPolarHBondContact O-CG 3.37Å; T165-L169 PolarHBondContact O-N 3.38Å; M166-L169 PolarHBondContact O-N 3.38Å; L169-E172 PolarHBondContact O-N 3.32Å; L169-C173 VanDerWaalsContact O-CB 3.24Å; L169-C173 WeakPolarHBondContact O-CB 3.48Å; L169-C173 PolarHBondContact O-N 3.42Å; L169-L217 HydrophobicContact CB-CD1 4.08Å; L169-L217 HydrophobicContact CD2-CD1 3.6Å; L169-L217 HydrophobicContact CG-CD1 4.41Å; L169-I220 HydrophobicContact CD1-CG2 3.91Å; L169-I220 HydrophobicContact CD2-CG2 4.27Å; L169-L221 HydrophobicContact CB-CD2 4.1Å; L169-I224 HydrophobicContact CD1-CD1 3.62Å; L169-M280 HydrophobicContact CD1-CE 4.2Å
170L91.4Very high85.3Confident4 Ų438.9 Ų38.92%0.02121%0.206CC..Hα-helixtrans-66.5-47.1178.3-74.2172.2000112.3M166 K167 I168 E172 C173 S174 L221 Y286 L290M166-L170 HydrophobicContact CE-CD1 4.04Å; M166-L170 HydrophobicContact CE-CD2 3.97Å; M166-L170 HydrophobicContact CE-CG 3.92Å; M166-L170 HydrophobicContact CG-CD1 4.09Å; M166-L170 HydrophobicContact CG-CG 4.44Å; M166-L170 WeakPolarHBondContact O-CG 3.33Å; M166-L170 PolarHBondContact O-N 2.84Å; K167-L170 PolarHBondContact O-N 2.68Å; I168-L170 PolarHBondContact O-N 2.92Å; L170-E172 VanDerWaalsContact C-N 3.27Å; L170-E172 PolarHBondContact O-N 2.96Å; L170-C173 PolarHBondContact O-N 3.38Å; L170-S174 WeakPolarHBondContact O-CB 3.41Å; L170-S174 PolarHBondContact O-N 2.89Å; L170-L221 HydrophobicContact CD2-CD2 4.49Å; L170-Y286 HydrophobicContact CD1-CD1 3.44Å; L170-Y286 VanDerWaalsContact CD1-CD1 3.44Å; L170-Y286 HydrophobicContact CD1-CD2 4.41Å; L170-Y286 HydrophobicContact CD1-CE1 4.2Å; L170-Y286 HydrophobicContact CD1-CG 3.58Å; L170-L290 HydrophobicContact CD2-CB 3.83Å; L170-L290 HydrophobicContact CD2-CD1 4.16Å; L170-L290 HydrophobicContact CD2-CG 4.45Å
171N91.4Very high85.9Confident96 Ų9635.1 Ų35.151%0.51318%0.18SC..Hα-helixtrans-58.9-43.6177.1-74.6-16.8000110.8K167 I168 S174 R175K167-N171 WeakPolarHBondContact O-CB 3.37Å; K167-N171 PolarHBondContact O-N 3.06Å; K167-N171 PolarHBondContact O-ND2 3.18Å; I168-N171 PolarHBondContact O-N 3.31Å; N171-S174 PolarHBondContact O-N 3.23Å; N171-R175 WeakPolarHBondContact O-CB 3.43Å; N171-R175 PolarHBondContact O-N 2.92Å
172E89.6Confident86.1Confident12 Ų1235.4 Ų35.46%0.05618%0.181CC..Hα-helixtrans-68.4-37.3178.7-170.561.7-177.800112H105 I108 I168 L169 L170 R175 L176 R213 L217H105-E172 VanDerWaalsContact CE1-CD 3.5Å; H105-E172 IonicContact CE1-OE1 2.78Å; H105-E172 IonicContact CE1-OE2 2.81Å; H105-E172 IonicContact ND1-OE1 2.77Å; I108-E172 HydrophobicContact CD1-CG 4.39Å; I168-E172 VanDerWaalsContact O-CB 3.29Å; I168-E172 WeakPolarHBondContact O-CB 3.17Å; I168-E172 PolarHBondContact O-N 3.1Å; L169-E172 PolarHBondContact O-N 3.32Å; L170-E172 VanDerWaalsContact C-N 3.27Å; L170-E172 PolarHBondContact O-N 2.96Å; E172-R175 PolarHBondContact O-N 2.65Å; E172-R175 IonicContact OE1-CZ 3.61Å; E172-R175 IonicContact OE1-NE 2.85Å; E172-R175 IonicContact OE1-NH2 3.51Å; E172-R175 PolarHBondContact OE1-NH2 3.25Å; E172-R175 IonicContact OE2-CZ 2.56Å; E172-R175 IonicContact OE2-NE 3.61Å; E172-R175 PolarHBondContact OE2-NE 2.88Å; E172-R175 IonicContact OE2-NH2 2.65Å; E172-L176 HydrophobicContact CG-CD1 4.09Å; E172-L176 HydrophobicContact CG-CG 4.45Å; E172-L176 WeakPolarHBondContact O-CB 3.16Å; E172-L176 VanDerWaalsContact O-CG 3.31Å; E172-L176 WeakPolarHBondContact O-CG 3.21Å; E172-L176 PolarHBondContact O-N 2.74Å; E172-R213 IonicContact OE1-CZ 3.14Å; E172-R213 IonicContact OE1-NE 3.55Å; E172-R213 IonicContact OE1-NH1 3.44Å; E172-R213 PolarHBondContact OE1-NH1 3.12Å; E172-R213 VanDerWaalsContact OE1-NH1 3.13Å; E172-R213 IonicContact OE1-NH2 3.78Å; E172-R213 PolarHBondContact OE1-NH2 3.36Å; E172-L217 HydrophobicContact CB-CD2 4.21Å; E172-L217 HydrophobicContact CG-CD2 4.16Å
173C90.6Very high86Confident0 Ų038 Ų380%019%0.193CC..Hα-helixtrans-65.3-45.1176.2-167.40000110.9L169 L170 R175 C177 L217 L221L169-C173 VanDerWaalsContact O-CB 3.24Å; L169-C173 WeakPolarHBondContact O-CB 3.48Å; L169-C173 PolarHBondContact O-N 3.42Å; L170-C173 PolarHBondContact O-N 3.38Å; C173-R175 PolarHBondContact O-N 3.13Å; C173-C177 WeakPolarHBondContact O-CB 3.4Å; C173-C177 PolarHBondContact O-N 2.96Å; C173-L217 HydrophobicContact CB-CD2 3.55Å; C173-L217 HydrophobicContact CB-CG 4.02Å; C173-L217 VanDerWaalsContact N-CD2 3.34Å; C173-L221 HydrophobicContact CB-CD1 3.94Å
174S89.6Confident85.8Confident53 Ų5335.3 Ų35.337%0.37118%0.178SC..Hα-helixtrans-59.9-45.7175.3-170.80000111.4L170 N171 S178L170-S174 WeakPolarHBondContact O-CB 3.41Å; L170-S174 PolarHBondContact O-N 2.89Å; N171-S174 PolarHBondContact O-N 3.23Å; S174-S178 WeakPolarHBondContact O-CB 3.45Å; S174-S178 PolarHBondContact O-N 3.5Å; S174-S178 PolarHBondContact O-OG 2.66Å
175R87.4Confident85.4Confident102 Ų10232.7 Ų32.739%0.38516%0.164SC..Hα-helixtrans-62.8-51179.6-169.8-170.670.973.43111.7N171 E172 C173 S178 L179N171-R175 WeakPolarHBondContact O-CB 3.43Å; N171-R175 PolarHBondContact O-N 2.92Å; E172-R175 PolarHBondContact O-N 2.65Å; E172-R175 IonicContact OE1-CZ 3.61Å; E172-R175 IonicContact OE1-NE 2.85Å; E172-R175 IonicContact OE1-NH2 3.51Å; E172-R175 PolarHBondContact OE1-NH2 3.25Å; E172-R175 IonicContact OE2-CZ 2.56Å; E172-R175 IonicContact OE2-NE 3.61Å; E172-R175 PolarHBondContact OE2-NE 2.88Å; E172-R175 IonicContact OE2-NH2 2.65Å; C173-R175 PolarHBondContact O-N 3.13Å; R175-S178 PolarHBondContact O-N 3.35Å; R175-L179 VanDerWaalsContact NH1-CD1 3.26Å; R175-L179 WeakPolarHBondContact O-CG 3.24Å; R175-L179 PolarHBondContact O-N 2.97Å; R175-L179 VanDerWaalsContact O-N 3.09Å
176L84.4Confident84.6Confident13 Ų1335.3 Ų35.37%0.06818%0.18CC..Hα-helixtrans-64.6-42.5179.2-70.7174.3000111.9E172 S178 L179 W180 R213 L214 L217E172-L176 HydrophobicContact CG-CD1 4.09Å; E172-L176 HydrophobicContact CG-CG 4.45Å; E172-L176 WeakPolarHBondContact O-CB 3.16Å; E172-L176 VanDerWaalsContact O-CG 3.31Å; E172-L176 WeakPolarHBondContact O-CG 3.21Å; E172-L176 PolarHBondContact O-N 2.74Å; L176-S178 VanDerWaalsContact C-N 3.35Å; L176-S178 PolarHBondContact O-N 3.21Å; L176-L179 PolarHBondContact O-N 3.32Å; L176-W180 VanDerWaalsContact O-CB 3.29Å; L176-W180 WeakPolarHBondContact O-CB 3.25Å; L176-W180 PolarHBondContact O-N 3.41Å; L176-R213 HydrophobicContact CD1-CB 4.49Å; L176-R213 HydrophobicContact CD1-CG 3.74Å; L176-L214 HydrophobicContact CB-CD1 4.12Å; L176-L217 HydrophobicContact CD1-CD2 4.1Å
177C85.1Confident83.6Confident3 Ų336.7 Ų36.72%0.0219%0.189CC..Hα-helixtrans-59.4-45.9175.7179.80000111.3C173 W180 I181 I293 I297C173-C177 WeakPolarHBondContact O-CB 3.4Å; C173-C177 PolarHBondContact O-N 2.96Å; C177-W180 PolarHBondContact O-N 3.41Å; C177-I181 WeakPolarHBondContact O-CB 3.38Å; C177-I181 VanDerWaalsContact O-CG1 3.28Å; C177-I181 WeakPolarHBondContact O-CG1 3.45Å; C177-I181 PolarHBondContact O-N 3.28Å; C177-I181 WeakPolarHBondContact SG-CD1 3.14Å; C177-I293 HydrophobicContact CB-CG2 3.77Å; C177-I297 HydrophobicContact CB-CD1 4.43Å; C177-I297 HydrophobicContact CB-CG1 4.25Å; C177-I297 WeakPolarHBondContact SG-CG1 3.43Å
178S84.2Confident82.5Confident42 Ų4233.1 Ų33.129%0.29418%0.178SC..Hα-helixtrans-64.8-45.1-178.9-56.70000112.3S174 R175 L176 W180 I181 K182S174-S178 WeakPolarHBondContact O-CB 3.45Å; S174-S178 PolarHBondContact O-N 3.5Å; S174-S178 PolarHBondContact O-OG 2.66Å; R175-S178 PolarHBondContact O-N 3.35Å; L176-S178 VanDerWaalsContact C-N 3.35Å; L176-S178 PolarHBondContact O-N 3.21Å; S178-W180 VanDerWaalsContact C-N 3.3Å; S178-W180 PolarHBondContact O-N 3.08Å; S178-I181 PolarHBondContact O-N 2.92Å; S178-K182 WeakPolarHBondContact O-CB 3.44Å; S178-K182 PolarHBondContact O-N 3.23Å
179L80.6Confident81.2Confident94 Ų9432 Ų3249%0.49217%0.173SC..Hα-helixtrans-59.6-44.2175.2-72.4173000111.3R175 L176 K182 E183R175-L179 VanDerWaalsContact NH1-CD1 3.26Å; R175-L179 WeakPolarHBondContact O-CG 3.24Å; R175-L179 PolarHBondContact O-N 2.97Å; R175-L179 VanDerWaalsContact O-N 3.09Å; L176-L179 PolarHBondContact O-N 3.32Å; L179-K182 PolarHBondContact O-N 2.97Å; L179-E183 WeakPolarHBondContact O-CB 3.33Å; L179-E183 PolarHBondContact O-N 3.49Å
180W77.8Confident79.6Confident6 Ų637.8 Ų37.82%0.02320%0.2CC..Hα-helixtrans-70.1-40.8-178.1-172.647.8000113.1L176 C177 S178 K182 E183 L184 Y211 L214 I297 I300 T301 P353 L356 F362L176-W180 VanDerWaalsContact O-CB 3.29Å; L176-W180 WeakPolarHBondContact O-CB 3.25Å; L176-W180 PolarHBondContact O-N 3.41Å; C177-W180 PolarHBondContact O-N 3.41Å; S178-W180 VanDerWaalsContact C-N 3.3Å; S178-W180 PolarHBondContact O-N 3.08Å; W180-K182 VanDerWaalsContact C-N 3.31Å; W180-K182 PolarHBondContact O-N 3.46Å; W180-E183 PolarHBondContact O-N 3.47Å; W180-L184 HydrophobicContact CD2-CD1 3.93Å; W180-L184 HydrophobicContact CD2-CG 4.38Å; W180-L184 VanDerWaalsContact CE2-CD1 3.41Å; W180-L184 HydrophobicContact CE3-CD1 4.14Å; W180-L184 HydrophobicContact CH2-CD1 3.42Å; W180-L184 VanDerWaalsContact CH2-CD1 3.42Å; W180-L184 HydrophobicContact CZ2-CD1 3.18Å; W180-L184 HydrophobicContact CZ2-CD2 4.39Å; W180-L184 HydrophobicContact CZ2-CG 4Å; W180-L184 HydrophobicContact CZ3-CD1 3.9Å; W180-L184 PolarHBondContact O-N 3.04Å; W180-Y211 AromaticContact CD1-CD1 3.59Å; W180-Y211 AromaticContact CD1-CE1 3.2Å; W180-Y211 AromaticContact CE2-CD1 3.91Å; W180-Y211 HydrophobicContact CG-CD1 4.33Å; W180-Y211 HydrophobicContact CG-CE1 4.27Å; W180-Y211 AromaticContact NE1-CD1 3.23Å; W180-Y211 AromaticContact NE1-CE1 3.03Å; W180-L214 HydrophobicContact CB-CD2 4.5Å; W180-L214 HydrophobicContact CD2-CD2 4.16Å; W180-L214 HydrophobicContact CE3-CD2 3.85Å; W180-L214 HydrophobicContact CG-CD2 4.46Å; W180-I297 HydrophobicContact CZ3-CG2 4.25Å; W180-I300 HydrophobicContact CE3-CG2 3.89Å; W180-I300 HydrophobicContact CH2-CG2 4.25Å; W180-I300 HydrophobicContact CZ3-CG2 3.5Å; W180-T301 WeakPolarHBondContact CH2-OG1 3.28Å; W180-T301 WeakPolarHBondContact CZ3-OG1 3.41Å; W180-P353 PolarHBondContact NE1-O 3.03Å; W180-L356 HydrophobicContact CD2-CD2 4.17Å; W180-L356 HydrophobicContact CE3-CD2 4.11Å; W180-L356 HydrophobicContact CH2-CB 4.14Å; W180-L356 HydrophobicContact CH2-CD2 3.3Å; W180-L356 HydrophobicContact CH2-CG 4.04Å; W180-L356 HydrophobicContact CZ2-CB 3.54Å; W180-L356 HydrophobicContact CZ2-CD2 3.3Å; W180-L356 HydrophobicContact CZ2-CG 3.91Å; W180-L356 HydrophobicContact CZ3-CD2 3.71Å; W180-F362 HydrophobicContact CZ3-CE1 4.48Å
181I82.7Confident78Confident0 Ų043.4 Ų43.40%023%0.226CC..Hα-helixtrans-58.6-48.4174.3-75.7168.2000109.9C177 S178 E183 L184 I185 I300 F389 Y394C177-I181 WeakPolarHBondContact O-CB 3.38Å; C177-I181 VanDerWaalsContact O-CG1 3.28Å; C177-I181 WeakPolarHBondContact O-CG1 3.45Å; C177-I181 PolarHBondContact O-N 3.28Å; C177-I181 WeakPolarHBondContact SG-CD1 3.14Å; S178-I181 PolarHBondContact O-N 2.92Å; I181-E183 VanDerWaalsContact C-N 3.32Å; I181-E183 PolarHBondContact O-N 3.01Å; I181-L184 PolarHBondContact O-N 3.17Å; I181-I185 HydrophobicContact CG2-CD1 3.62Å; I181-I185 HydrophobicContact CG2-CG1 4.34Å; I181-I185 VanDerWaalsContact O-CG1 3.24Å; I181-I185 WeakPolarHBondContact O-CG1 3.37Å; I181-I185 PolarHBondContact O-N 2.9Å; I181-I300 HydrophobicContact CB-CG1 4.45Å; I181-I300 HydrophobicContact CD1-CG2 4.48Å; I181-I300 HydrophobicContact CG1-CB 3.9Å; I181-I300 HydrophobicContact CG1-CG1 4.17Å; I181-I300 HydrophobicContact CG1-CG2 3.62Å; I181-I300 HydrophobicContact CG2-CD1 4.29Å; I181-I300 HydrophobicContact CG2-CG1 4.36Å; I181-F389 HydrophobicContact CD1-CE2 4.23Å; I181-F389 HydrophobicContact CG2-CE2 4.43Å; I181-F389 HydrophobicContact CG2-CZ 3.81Å; I181-Y394 HydrophobicContact CB-CD1 4.04Å; I181-Y394 HydrophobicContact CB-CE1 4.37Å; I181-Y394 HydrophobicContact CB-CG 4.19Å; I181-Y394 HydrophobicContact CD1-CD1 4.02Å; I181-Y394 HydrophobicContact CD1-CE1 3.46Å; I181-Y394 VanDerWaalsContact CD1-CE1 3.46Å; I181-Y394 HydrophobicContact CD1-CE2 4.06Å; I181-Y394 VanDerWaalsContact CD1-CZ 3.47Å; I181-Y394 HydrophobicContact CG1-CE1 4.49Å; I181-Y394 HydrophobicContact CG2-CD1 3.86Å; I181-Y394 HydrophobicContact CG2-CD2 3.7Å; I181-Y394 HydrophobicContact CG2-CE1 4.35Å; I181-Y394 HydrophobicContact CG2-CE2 4.21Å; I181-Y394 HydrophobicContact CG2-CG 3.49Å; I181-Y394 VanDerWaalsContact CG2-CG 3.49Å
182K80.4Confident76.2Confident30 Ų3039.9 Ų39.913%0.1321%0.207CC..Hα-helixtrans-57-46.8176.9-178.4177.2179.11730111.3S178 L179 W180 I185 V186 M395 D398S178-K182 WeakPolarHBondContact O-CB 3.44Å; S178-K182 PolarHBondContact O-N 3.23Å; L179-K182 PolarHBondContact O-N 2.97Å; W180-K182 VanDerWaalsContact C-N 3.31Å; W180-K182 PolarHBondContact O-N 3.46Å; K182-I185 PolarHBondContact O-N 3.2Å; K182-V186 VanDerWaalsContact O-CG2 3.27Å; K182-V186 WeakPolarHBondContact O-CG2 3.35Å; K182-V186 PolarHBondContact O-N 3.43Å; K182-V186 VanDerWaalsContact O-N 3.13Å; K182-M395 HydrophobicContact CG-SD 4.45Å; K182-D398 IonicContact NZ-OD2 3.52Å; K182-D398 PolarHBondContact NZ-OD2 3.22Å
183E76.4Confident74.3Confident71 Ų7144.1 Ų44.133%0.33223%0.234SC..Hα-helixtrans-60.3-47.7177.9-167.9170.9-164.300111.8L179 W180 I181 I185 V186 C187 P353L179-E183 WeakPolarHBondContact O-CB 3.33Å; L179-E183 PolarHBondContact O-N 3.49Å; W180-E183 PolarHBondContact O-N 3.47Å; I181-E183 VanDerWaalsContact C-N 3.32Å; I181-E183 PolarHBondContact O-N 3.01Å; E183-I185 VanDerWaalsContact C-N 3.34Å; E183-I185 PolarHBondContact O-N 3.36Å; E183-V186 PolarHBondContact O-N 3.39Å; E183-C187 WeakPolarHBondContact O-CB 3.26Å; E183-C187 PolarHBondContact O-N 2.86Å; E183-C187 PolarHBondContact O-SG 3.31Å; E183-P353 HydrophobicContact CG-CB 4.09Å; E183-P353 HydrophobicContact CG-CG 3.74Å; E183-P353 WeakPolarHBondContact OE1-CG 3.49Å
184L76.5Confident72Confident0 Ų049.1 Ų49.10%026%0.264CS..Hα-helixtrans-67.9-28.1178.6-77-175.6000115W180 I181 I300 A304 P353 F354W180-L184 HydrophobicContact CD2-CD1 3.93Å; W180-L184 HydrophobicContact CD2-CG 4.38Å; W180-L184 VanDerWaalsContact CE2-CD1 3.41Å; W180-L184 HydrophobicContact CE3-CD1 4.14Å; W180-L184 HydrophobicContact CH2-CD1 3.42Å; W180-L184 VanDerWaalsContact CH2-CD1 3.42Å; W180-L184 HydrophobicContact CZ2-CD1 3.18Å; W180-L184 HydrophobicContact CZ2-CD2 4.39Å; W180-L184 HydrophobicContact CZ2-CG 4Å; W180-L184 HydrophobicContact CZ3-CD1 3.9Å; W180-L184 PolarHBondContact O-N 3.04Å; I181-L184 PolarHBondContact O-N 3.17Å; L184-I300 HydrophobicContact CB-CD1 4.19Å; L184-I300 HydrophobicContact CB-CG1 3.73Å; L184-I300 HydrophobicContact CD1-CB 4.45Å; L184-I300 HydrophobicContact CD1-CG1 3.69Å; L184-I300 HydrophobicContact CD1-CG2 4.08Å; L184-I300 HydrophobicContact CG-CG1 4.39Å; L184-A304 HydrophobicContact CB-CB 4.47Å; L184-A304 HydrophobicContact CD1-CB 3.74Å; L184-A304 HydrophobicContact CD2-CB 3.86Å; L184-A304 HydrophobicContact CG-CB 4.26Å; L184-P353 HydrophobicContact CD2-CB 3.8Å; L184-F354 HydrophobicContact CD2-CD1 4.31Å; L184-F354 HydrophobicContact CD2-CE1 4.25Å; L184-F354 HydrophobicContact CD2-CZ 4.47Å
185I76.6Confident69.8Low17 Ų1752.2 Ų52.29%0.08728%0.276CS..Hα-helixtrans-68.7-46.3174.3-70.4168.9000109.5I181 K182 E183 I300 K307 A391 M395 L405 F415I181-I185 HydrophobicContact CG2-CD1 3.62Å; I181-I185 HydrophobicContact CG2-CG1 4.34Å; I181-I185 VanDerWaalsContact O-CG1 3.24Å; I181-I185 WeakPolarHBondContact O-CG1 3.37Å; I181-I185 PolarHBondContact O-N 2.9Å; K182-I185 PolarHBondContact O-N 3.2Å; E183-I185 VanDerWaalsContact C-N 3.34Å; E183-I185 PolarHBondContact O-N 3.36Å; I185-I300 HydrophobicContact CD1-CD1 4.36Å; I185-I300 HydrophobicContact CG1-CD1 3.7Å; I185-K307 PolarHBondContact O-NZ 3.02Å; I185-A391 HydrophobicContact CD1-CB 4.29Å; I185-M395 HydrophobicContact CB-SD 4.47Å; I185-M395 HydrophobicContact CD1-SD 4.4Å; I185-M395 HydrophobicContact CG2-CE 4.43Å; I185-M395 HydrophobicContact CG2-SD 4.02Å; I185-L405 HydrophobicContact CG2-CD1 4.48Å; I185-F415 HydrophobicContact CG1-CZ 4.38Å
186V71.8Confident67.3Low55 Ų5554.5 Ų54.533%0.33329%0.291SS..Hα-helixtrans-78.8-39.1-173.8176.90000112.3K182 E183 S188 M395 V401 L405K182-V186 VanDerWaalsContact O-CG2 3.27Å; K182-V186 WeakPolarHBondContact O-CG2 3.35Å; K182-V186 PolarHBondContact O-N 3.43Å; K182-V186 VanDerWaalsContact O-N 3.13Å; E183-V186 PolarHBondContact O-N 3.39Å; V186-S188 PolarHBondContact O-N 3.04Å; V186-M395 HydrophobicContact CG2-CE 4.07Å; V186-V401 HydrophobicContact CG2-CG1 3.61Å; V186-L405 HydrophobicContact CG2-CD1 4.45Å
187C67Low65.2Low29 Ų2957.8 Ų57.820%0.19632%0.32CS..  trans-68132.3-176.2-72.30000111.8E183 P353 F354E183-C187 WeakPolarHBondContact O-CB 3.26Å; E183-C187 PolarHBondContact O-N 2.86Å; E183-C187 PolarHBondContact O-SG 3.31Å; C187-P353 HydrophobicContact CB-CG 4.43Å; C187-F354 HydrophobicContact CB-CE2 4.08Å; C187-F354 HydrophobicContact CB-CZ 4.46Å
188S67.1Low62.8Low39 Ų3964.2 Ų64.227%0.27335%0.354SS..  trans-97.1135.9164.1-178.70000109.3V186 E190 E191V186-S188 PolarHBondContact O-N 3.04Å; S188-E190 PolarHBondContact O-N 2.9Å; S188-E190 PolarHBondContact OG-N 3.21Å; S188-E191 PolarHBondContact O-N 3.43Å; S188-E191 VanDerWaalsContact O-N 3.11Å
189P62Low60.1Low6 Ų669.2 Ų69.24%0.03938%0.377CS..Hα-helixtrans-53.9-23.7171.1-25.934.8000114D192 F311 Y312 F354P189-D192 WeakPolarHBondContact O-CB 3.39Å; P189-D192 PolarHBondContact O-N 3.14Å; P189-F311 HydrophobicContact CB-CB 3.96Å; P189-F311 HydrophobicContact CB-CD1 3.34Å; P189-F311 HydrophobicContact CB-CE1 3.95Å; P189-F311 HydrophobicContact CB-CG 3.67Å; P189-F311 HydrophobicContact CG-CB 4.02Å; P189-F311 HydrophobicContact CG-CD1 4.32Å; P189-F311 HydrophobicContact CG-CG 4.23Å; P189-Y312 HydrophobicContact CB-CE2 4.36Å; P189-F354 HydrophobicContact CG-CE1 4.03Å; P189-F354 HydrophobicContact CG-CE2 4.11Å; P189-F354 HydrophobicContact CG-CZ 3.71Å
190E59.3Low57.8Low121 Ų12171.8 Ų71.857%0.56539%0.392SS*.Hα-helixtrans-61.7-42.1175.9-73.5176.9-177.300113.3S188 D192 F311S188-E190 PolarHBondContact O-N 2.9Å; S188-E190 PolarHBondContact OG-N 3.21Å; E190-D192 VanDerWaalsContact C-N 3.27Å; E190-D192 PolarHBondContact O-N 3.41Å; E190-F311 HydrophobicContact CB-CE2 4.17Å; E190-F311 HydrophobicContact CB-CZ 4.18Å; E190-F311 HydrophobicContact CG-CD2 3.63Å; E190-F311 HydrophobicContact CG-CE1 4.39Å; E190-F311 HydrophobicContact CG-CE2 2.95Å; E190-F311 HydrophobicContact CG-CZ 3.38Å; E190-F311 WeakPolarHBondContact OE1-CE2 3.43Å
191E57.4Low55.6Low122 Ų12277.9 Ų77.957%0.5743%0.43SS*.Hα-helixtrans-70.8-28.8-176.9-64.1-176.6162.400111.1S188 V193 T194 I195S188-E191 PolarHBondContact O-N 3.43Å; S188-E191 VanDerWaalsContact O-N 3.11Å; E191-V193 VanDerWaalsContact C-N 3.35Å; E191-V193 PolarHBondContact O-N 3.19Å; E191-T194 PolarHBondContact O-N 3.01Å; E191-T194 VanDerWaalsContact O-N 3.09Å; E191-T194 PolarHBondContact O-OG1 2.83Å; E191-I195 PolarHBondContact O-N 2.97Å
192D52.9Low53Low23 Ų2384 Ų8412%0.12347%0.467CS..Hα-helixtrans-65.3-34-178.9-121.6-18.3000112.9P189 E190 T194 I195 S352 F354P189-D192 WeakPolarHBondContact O-CB 3.39Å; P189-D192 PolarHBondContact O-N 3.14Å; E190-D192 VanDerWaalsContact C-N 3.27Å; E190-D192 PolarHBondContact O-N 3.41Å; D192-T194 PolarHBondContact O-N 2.93Å; D192-I195 PolarHBondContact O-N 3.39Å; D192-I195 WeakPolarHBondContact OD1-CD1 3.28Å; D192-S352 WeakPolarHBondContact OD2-CB 2.96Å; D192-S352 PolarHBondContact OD2-OG 2.93Å; D192-F354 WeakPolarHBondContact OD2-CD2 3.47Å
193V49.7Very low50.5Low101 Ų10192.9 Ų92.961%0.61250%0.501SS*.THydrogen-bonded Turntrans-64.5-24.8176.2-1760000111.3E191E191-V193 VanDerWaalsContact C-N 3.35Å; E191-V193 PolarHBondContact O-N 3.19Å
194T42.2Very low48.3Very low104 Ų10494.5 Ų94.564%0.63851%0.511SS*.THydrogen-bonded Turntrans-99.21.1-177.363.60000114.8E191 D192 Q196E191-T194 PolarHBondContact O-N 3.01Å; E191-T194 VanDerWaalsContact O-N 3.09Å; E191-T194 PolarHBondContact O-OG1 2.83Å; D192-T194 PolarHBondContact O-N 2.93Å; T194-Q196 PolarHBondContact O-N 3.26Å
195I43.4Very low46.2Very low118 Ų118101 Ų10161%0.60555%0.546SS*.  trans-69.681.8172.7-53.6-179.8000108.4E191 D192 A197E191-I195 PolarHBondContact O-N 2.97Å; D192-I195 PolarHBondContact O-N 3.39Å; D192-I195 WeakPolarHBondContact OD1-CD1 3.28Å; I195-A197 PolarHBondContact O-N 3.3Å
196Q35.6Very low44.8Very low150 Ų150108.3 Ų108.370%0.70158%0.579SS**  trans-58.7126.5161.5-72-173.1-400106.7T194 N198T194-Q196 PolarHBondContact O-N 3.26Å; Q196-N198 PolarHBondContact O-N 3.35Å
197A40.3Very low43.6Very low83 Ų83107.4 Ų107.469%0.68657%0.573SS**THydrogen-bonded Turntrans-58.76.1-179.600000115.2I195I195-A197 PolarHBondContact O-N 3.3Å
198N34.4Very low42.7Very low137 Ų137108.1 Ų108.173%0.73358%0.575SS**THydrogen-bonded Turntrans-110.72.1-169.8-83.1-3.2000116.3Q196 N200Q196-N198 PolarHBondContact O-N 3.35Å; N198-N200 PolarHBondContact O-N 3.12Å; N198-N200 VanDerWaalsContact O-N 3.14Å
199N27.8Very low42.5Very low147 Ų147108.6 Ų108.679%0.78657%0.571SS**  trans-85.389.5170.2-79.9-5.6000111.2T201N199-T201 PolarHBondContact O-N 3.08Å
200N32.5Very low42.5Very low148 Ų148111.5 Ų111.579%0.79159%0.59SS**  trans-48.6119152.7-74.2-27000108.8N198N198-N200 PolarHBondContact O-N 3.12Å; N198-N200 VanDerWaalsContact O-N 3.14Å
201T32.1Very low43Very low134 Ų134106.1 Ų106.182%0.82257%0.565SS**  trans152.330147.846.80000116.1N199N199-T201 PolarHBondContact O-N 3.08Å
202V28.1Very low43.9Very low128 Ų128100.8 Ų100.878%0.77654%0.542SS*.SBendtrans-127129.8146.8-171.70000107.2L204V202-L204 PolarHBondContact O-N 3.46Å
203Y27Very low45.3Very low218 Ų218101.4 Ų101.486%0.85554%0.542SS*.  trans-55.676.6-174.6-83.8-108.4000112.8L205Y203-L205 PolarHBondContact O-N 3.03Å
204L31.4Very low46.9Very low104 Ų10496.7 Ų96.755%0.54551%0.514SS..  trans-61.4-2.7165.8-96.6133.7000112.9V202 H206 V207 N208V202-L204 PolarHBondContact O-N 3.46Å; L204-H206 PolarHBondContact O-N 3.49Å; L204-V207 PolarHBondContact O-N 3.38Å; L204-N208 PolarHBondContact O-OD1 2.82Å
205L31.8Very low48.7Very low138 Ų13892.4 Ų92.472%0.72349%0.486SS*.  trans-76.751.5173.3-84.2158.6000112.7Y203Y203-L205 PolarHBondContact O-N 3.03Å
206H46.3Very low50.6Low170 Ų17086.8 Ų86.879%0.78746%0.457SS*.SBendtrans-14146.1149.2-95.2-75.7000110L204L204-H206 PolarHBondContact O-N 3.49Å
207V47.2Very low53.2Low36 Ų3679.6 Ų79.622%0.21842%0.424CS..  trans31.398139.4-159.10000117.1C57 L204C57-V207 HydrophobicContact CB-CG1 3.23Å; L204-V207 PolarHBondContact O-N 3.38Å
208N48.2Very low55.3Low43 Ų4375.7 Ų75.723%0.2339%0.391CS..SBendcis-154.722.1-10.2-114-15.3000112.8C57 L204C57-N208 HydrophobicContact CB-CB 3.96Å; C57-N208 PolarHBondContact O-ND2 3.29Å; L204-N208 PolarHBondContact O-OD1 2.82Å
209Y62.5Low57.8Low49 Ų4969.4 Ų69.419%0.19236%0.357CS..  trans-154107.7164.7-59.2-74.2000107.4L116 Y211 A212 R213 T350L116-Y209 HydrophobicContact CD2-CD2 3.29Å; L116-Y209 HydrophobicContact CD2-CE2 3.19Å; L116-Y209 HydrophobicContact CD2-CG 4.01Å; Y209-Y211 PolarHBondContact O-N 2.91Å; Y209-A212 HydrophobicContact CD2-CB 4.13Å; Y209-A212 HydrophobicContact CG-CB 4.24Å; Y209-A212 PolarHBondContact O-N 3.3Å; Y209-R213 PolarHBondContact O-N 2.78Å; Y209-R213 VanDerWaalsContact O-N 3.16Å; Y209-T350 WeakPolarHBondContact CD1-O 3.38Å; Y209-T350 VanDerWaalsContact CE1-C 3.45Å; Y209-T350 VanDerWaalsContact CE1-CB 3.45Å; Y209-T350 WeakPolarHBondContact CE1-O 2.95Å; Y209-T350 WeakPolarHBondContact CE1-OG1 3.36Å; Y209-T350 WeakPolarHBondContact OH-CB 3.27Å; Y209-T350 PolarHBondContact OH-OG1 3.16Å; Y209-T350 VanDerWaalsContact OH-OG1 3.05Å
210P62.4Low60.6Low68 Ų6862.4 Ų62.444%0.44232%0.32SS..Hα-helixtrans-51.1-27.7171.819.1-29.6000111.4L214P210-L214 WeakPolarHBondContact O-CB 3.29Å; P210-L214 PolarHBondContact O-N 3.13Å
211Y70.8Confident63.3Low8 Ų855.3 Ų55.33%0.03128%0.282CS..Hα-helixtrans-72.9-43.8174.6-34.7-57.7000114.6W180 Y209 R213 L214 R215 S352 P353 S355 L356W180-Y211 AromaticContact CD1-CD1 3.59Å; W180-Y211 AromaticContact CD1-CE1 3.2Å; W180-Y211 AromaticContact CE2-CD1 3.91Å; W180-Y211 HydrophobicContact CG-CD1 4.33Å; W180-Y211 HydrophobicContact CG-CE1 4.27Å; W180-Y211 AromaticContact NE1-CD1 3.23Å; W180-Y211 AromaticContact NE1-CE1 3.03Å; Y209-Y211 PolarHBondContact O-N 2.91Å; Y211-R213 PolarHBondContact O-N 3.22Å; Y211-L214 PolarHBondContact O-N 3.3Å; Y211-R215 WeakPolarHBondContact O-CB 3.45Å; Y211-R215 PolarHBondContact O-N 3.38Å; Y211-S352 WeakPolarHBondContact CE2-O 3.38Å; Y211-P353 WeakPolarHBondContact OH-CA 3.5Å; Y211-S355 WeakPolarHBondContact CD2-OG 3.37Å; Y211-S355 VanDerWaalsContact CE2-OG 3.3Å; Y211-S355 WeakPolarHBondContact CE2-OG 3.36Å; Y211-L356 HydrophobicContact CD1-CB 4.21Å; Y211-L356 HydrophobicContact CG-CB 4.13Å
212A74.9Confident65.7Low10 Ų1049.1 Ų49.18%0.08324%0.244CC..Hα-helixtrans-61.5-40.3177.400000109.4G112 L116 Y209 R215 G216G112-A212 WeakPolarHBondContact CA-O 3.43Å; L116-A212 HydrophobicContact CB-CB 4.49Å; L116-A212 HydrophobicContact CD2-CB 4.45Å; Y209-A212 HydrophobicContact CD2-CB 4.13Å; Y209-A212 HydrophobicContact CG-CB 4.24Å; Y209-A212 PolarHBondContact O-N 3.3Å; A212-R215 PolarHBondContact O-N 3.27Å; A212-G216 PolarHBondContact O-N 2.56Å
213R83Confident68.3Low35 Ų3544 Ų4413%0.13221%0.214CC..Hα-helixtrans-60.6-52.5174.1-170.8175.7-162.8-152.7-16112.8H105 I108 D109 E172 L176 Y209 Y211 R215 G216 L217H105-R213 PolarHBondContact ND1-NH2 3.36Å; I108-R213 HydrophobicContact CG2-CG 3.77Å; I108-R213 WeakPolarHBondContact CG2-O 3.42Å; D109-R213 WeakPolarHBondContact OD1-CD 3.43Å; D109-R213 WeakPolarHBondContact OD1-CG 3.35Å; D109-R213 IonicContact OD1-CZ 3.58Å; D109-R213 IonicContact OD1-NE 2.64Å; D109-R213 PolarHBondContact OD1-NE 2.79Å; E172-R213 IonicContact OE1-CZ 3.14Å; E172-R213 IonicContact OE1-NE 3.55Å; E172-R213 IonicContact OE1-NH1 3.44Å; E172-R213 PolarHBondContact OE1-NH1 3.12Å; E172-R213 VanDerWaalsContact OE1-NH1 3.13Å; E172-R213 IonicContact OE1-NH2 3.78Å; E172-R213 PolarHBondContact OE1-NH2 3.36Å; L176-R213 HydrophobicContact CD1-CB 4.49Å; L176-R213 HydrophobicContact CD1-CG 3.74Å; Y209-R213 PolarHBondContact O-N 2.78Å; Y209-R213 VanDerWaalsContact O-N 3.16Å; Y211-R213 PolarHBondContact O-N 3.22Å; R213-R215 VanDerWaalsContact C-N 3.27Å; R213-R215 PolarHBondContact O-N 3.37Å; R213-G216 PolarHBondContact O-N 2.95Å; R213-L217 WeakPolarHBondContact O-CB 3.4Å; R213-L217 PolarHBondContact O-N 3.43Å
214L83.9Confident71Confident2 Ų233.8 Ų33.81%0.0117%0.174CC..Hα-helixtrans-57.9-42.3176.3179.561.1000111.2L176 W180 P210 Y211 L217 V218 I297 L356 F362L176-L214 HydrophobicContact CB-CD1 4.12Å; W180-L214 HydrophobicContact CB-CD2 4.5Å; W180-L214 HydrophobicContact CD2-CD2 4.16Å; W180-L214 HydrophobicContact CE3-CD2 3.85Å; W180-L214 HydrophobicContact CG-CD2 4.46Å; P210-L214 WeakPolarHBondContact O-CB 3.29Å; P210-L214 PolarHBondContact O-N 3.13Å; Y211-L214 PolarHBondContact O-N 3.3Å; L214-L217 WeakPolarHBondContact O-CB 3.5Å; L214-L217 PolarHBondContact O-N 3.49Å; L214-V218 WeakPolarHBondContact O-CG2 3.35Å; L214-V218 PolarHBondContact O-N 3.48Å; L214-I297 HydrophobicContact CD1-CD1 4.14Å; L214-L356 HydrophobicContact CD2-CD2 4.19Å; L214-F362 HydrophobicContact CD2-CZ 4.31Å; L214-F362 HydrophobicContact CG-CZ 4.28Å
215R78.5Confident73.3Confident14 Ų1428.8 Ų28.85%0.05315%0.148CC..Hα-helixtrans-64.1-49.5177.8-168.1176.9-178.9-160.5-4.2111.5L115 Y211 A212 R213 L217 V218 H219 F362 D365L115-R215 HydrophobicContact CD2-CB 4.42Å; L115-R215 HydrophobicContact CD2-CG 3.48Å; L115-R215 VanDerWaalsContact CD2-CG 3.48Å; Y211-R215 WeakPolarHBondContact O-CB 3.45Å; Y211-R215 PolarHBondContact O-N 3.38Å; A212-R215 PolarHBondContact O-N 3.27Å; R213-R215 VanDerWaalsContact C-N 3.27Å; R213-R215 PolarHBondContact O-N 3.37Å; R215-L217 PolarHBondContact O-N 3.02Å; R215-V218 PolarHBondContact O-N 3.45Å; R215-V218 VanDerWaalsContact O-N 3.16Å; R215-H219 PolarHBondContact O-CD2 3.33Å; R215-H219 VanDerWaalsContact O-CD2 3.22Å; R215-H219 PolarHBondContact O-N 2.96Å; R215-F362 HydrophobicContact CB-CD2 4.23Å; R215-F362 HydrophobicContact CB-CE2 4.14Å; R215-F362 HydrophobicContact CG-CD2 3.76Å; R215-F362 HydrophobicContact CG-CE2 4.07Å; R215-D365 IonicContact CZ-OD2 3.34Å; R215-D365 IonicContact NE-OD2 3.86Å; R215-D365 IonicContact NH2-OD2 2.97Å; R215-D365 PolarHBondContact NH2-OD2 2.92Å
216G84Confident75.4Confident0 Ų024.3 Ų24.30%012%0.123CC..Hα-helixtrans-53.9-43.1174.600000111.9A212 R213 H219 I220A212-G216 PolarHBondContact O-N 2.56Å; R213-G216 PolarHBondContact O-N 2.95Å; G216-H219 PolarHBondContact O-N 2.99Å; G216-I220 WeakPolarHBondContact O-CG1 3Å; G216-I220 PolarHBondContact O-N 3.36Å
217L89.5Confident76.7Confident0 Ų017.2 Ų17.20%09%0.092CC..Hα-helixtrans-65.1-44.9176.7-173.750.9000113.1I108 L169 E172 C173 L176 R213 L214 R215 H219 I220 L221I108-L217 HydrophobicContact CD1-CD1 3.94Å; I108-L217 HydrophobicContact CG1-CD1 4.21Å; I108-L217 HydrophobicContact CG2-CB 3.83Å; L169-L217 HydrophobicContact CB-CD1 4.08Å; L169-L217 HydrophobicContact CD2-CD1 3.6Å; L169-L217 HydrophobicContact CG-CD1 4.41Å; E172-L217 HydrophobicContact CB-CD2 4.21Å; E172-L217 HydrophobicContact CG-CD2 4.16Å; C173-L217 HydrophobicContact CB-CD2 3.55Å; C173-L217 HydrophobicContact CB-CG 4.02Å; C173-L217 VanDerWaalsContact N-CD2 3.34Å; L176-L217 HydrophobicContact CD1-CD2 4.1Å; R213-L217 WeakPolarHBondContact O-CB 3.4Å; R213-L217 PolarHBondContact O-N 3.43Å; L214-L217 WeakPolarHBondContact O-CB 3.5Å; L214-L217 PolarHBondContact O-N 3.49Å; R215-L217 PolarHBondContact O-N 3.02Å; L217-H219 VanDerWaalsContact C-N 3.27Å; L217-H219 PolarHBondContact O-N 3.3Å; L217-I220 PolarHBondContact O-N 3.16Å; L217-L221 HydrophobicContact CD1-CD1 4.06Å; L217-L221 HydrophobicContact CD1-CG 4.31Å; L217-L221 HydrophobicContact CG-CD1 3.95Å; L217-L221 WeakPolarHBondContact O-CB 3.32Å; L217-L221 WeakPolarHBondContact O-CD1 3.28Å; L217-L221 VanDerWaalsContact O-CG 3.31Å; L217-L221 WeakPolarHBondContact O-CG 3.3Å; L217-L221 PolarHBondContact O-N 3.4Å
218V85.9Confident77.4Confident0 Ų017.2 Ų17.20%09%0.091CC..Hα-helixtrans-60.2-38.7174.5169.20000111L214 R215 L221 A222 L294 I297 F362 V366L214-V218 WeakPolarHBondContact O-CG2 3.35Å; L214-V218 PolarHBondContact O-N 3.48Å; R215-V218 PolarHBondContact O-N 3.45Å; R215-V218 VanDerWaalsContact O-N 3.16Å; V218-L221 PolarHBondContact O-N 3.11Å; V218-A222 VanDerWaalsContact O-CB 3.26Å; V218-A222 WeakPolarHBondContact O-CB 3.46Å; V218-A222 PolarHBondContact O-N 2.92Å; V218-L294 HydrophobicContact CG1-CD2 4.35Å; V218-L294 HydrophobicContact CG2-CD2 4.39Å; V218-I297 HydrophobicContact CG2-CD1 4.16Å; V218-F362 HydrophobicContact CB-CE2 4.15Å; V218-F362 HydrophobicContact CG1-CE2 4.31Å; V218-F362 HydrophobicContact CG2-CE2 4.03Å; V218-F362 HydrophobicContact CG2-CZ 4.14Å; V218-V366 HydrophobicContact CG1-CG2 4.12Å
219H85Confident77.6Confident5 Ų516.8 Ų16.82%0.0239%0.089CC..Hα-helixtrans-67.5-41.5175.7-85.2-89.4000113L115 L145 R215 G216 L217 A222 S223 D365 R368L115-H219 WeakPolarHBondContact CD2-CD2 3.47Å; L115-H219 VanDerWaalsContact CD2-NE2 3.33Å; L115-H219 WeakPolarHBondContact CD2-NE2 3.45Å; L145-H219 HydrophobicContact CD2-CB 4.42Å; R215-H219 PolarHBondContact O-CD2 3.33Å; R215-H219 VanDerWaalsContact O-CD2 3.22Å; R215-H219 PolarHBondContact O-N 2.96Å; G216-H219 PolarHBondContact O-N 2.99Å; L217-H219 VanDerWaalsContact C-N 3.27Å; L217-H219 PolarHBondContact O-N 3.3Å; H219-A222 PolarHBondContact O-N 3.06Å; H219-S223 PolarHBondContact O-N 3Å; H219-D365 IonicContact CE1-OD1 3.6Å; H219-D365 PolarHBondContact CE1-OD1 3.17Å; H219-D365 IonicContact CE1-OD2 3.55Å; H219-D365 IonicContact NE2-OD1 2.98Å; H219-D365 PolarHBondContact NE2-OD1 3.26Å; H219-D365 IonicContact NE2-OD2 3.95Å; H219-D365 PolarHBondContact NE2-OD2 3.46Å; H219-R368 PolarHBondContact CE1-NH2 2.94Å
220I88.3Confident77.2Confident0 Ų018.6 Ų18.60%010%0.102CC..Hα-helixtrans-59.2-49.6173.6-73.2167.4000109.7I108 T111 L145 W148 L169 G216 L217 A222 S223 I224I108-I220 HydrophobicContact CG1-CD1 4Å; T111-I220 HydrophobicContact CG2-CD1 4.38Å; T111-I220 HydrophobicContact CG2-CG1 4.3Å; L145-I220 HydrophobicContact CD2-CG1 4.38Å; W148-I220 HydrophobicContact CB-CD1 4.41Å; W148-I220 HydrophobicContact CB-CG1 4.01Å; W148-I220 HydrophobicContact CD2-CB 4.36Å; W148-I220 HydrophobicContact CD2-CD1 4.34Å; W148-I220 HydrophobicContact CD2-CG1 4.01Å; W148-I220 HydrophobicContact CD2-CG2 3.56Å; W148-I220 HydrophobicContact CE3-CD1 4.06Å; W148-I220 HydrophobicContact CE3-CG1 4.24Å; W148-I220 HydrophobicContact CE3-CG2 3.77Å; W148-I220 HydrophobicContact CG-CB 4.5Å; W148-I220 HydrophobicContact CG-CD1 4.48Å; W148-I220 HydrophobicContact CG-CG1 3.88Å; W148-I220 HydrophobicContact CG-CG2 4.14Å; W148-I220 HydrophobicContact CH2-CG2 4.01Å; W148-I220 HydrophobicContact CZ2-CG2 3.78Å; W148-I220 HydrophobicContact CZ3-CG2 3.98Å; L169-I220 HydrophobicContact CD1-CG2 3.91Å; L169-I220 HydrophobicContact CD2-CG2 4.27Å; G216-I220 WeakPolarHBondContact O-CG1 3Å; G216-I220 PolarHBondContact O-N 3.36Å; L217-I220 PolarHBondContact O-N 3.16Å; I220-A222 VanDerWaalsContact C-N 3.34Å; I220-A222 PolarHBondContact O-N 3.35Å; I220-S223 WeakPolarHBondContact O-CB 3.47Å; I220-S223 PolarHBondContact O-N 3.04Å; I220-S223 VanDerWaalsContact O-N 3.12Å; I220-S223 PolarHBondContact O-OG 3.42Å; I220-I224 HydrophobicContact CG2-CD1 4.04Å; I220-I224 WeakPolarHBondContact O-CG1 3.4Å; I220-I224 PolarHBondContact O-N 2.73Å
221L88.1Confident76.4Confident0 Ų019.5 Ų19.50%010%0.103CC..Hα-helixtrans-63.7-37.9178.7-69.7162.7000112.6M166 L169 L170 C173 L217 V218 I224 T225 L290M166-L221 HydrophobicContact CE-CD2 3.68Å; M166-L221 HydrophobicContact SD-CD2 4.14Å; L169-L221 HydrophobicContact CB-CD2 4.1Å; L170-L221 HydrophobicContact CD2-CD2 4.49Å; C173-L221 HydrophobicContact CB-CD1 3.94Å; L217-L221 HydrophobicContact CD1-CD1 4.06Å; L217-L221 HydrophobicContact CD1-CG 4.31Å; L217-L221 HydrophobicContact CG-CD1 3.95Å; L217-L221 WeakPolarHBondContact O-CB 3.32Å; L217-L221 WeakPolarHBondContact O-CD1 3.28Å; L217-L221 VanDerWaalsContact O-CG 3.31Å; L217-L221 WeakPolarHBondContact O-CG 3.3Å; L217-L221 PolarHBondContact O-N 3.4Å; V218-L221 PolarHBondContact O-N 3.11Å; L221-I224 HydrophobicContact CD2-CD1 4.49Å; L221-I224 PolarHBondContact O-N 3.32Å; L221-T225 WeakPolarHBondContact O-CB 3.38Å; L221-T225 PolarHBondContact O-N 3.36Å; L221-T225 PolarHBondContact O-OG1 3.3Å; L221-L290 HydrophobicContact CB-CD1 4.39Å; L221-L290 HydrophobicContact CB-CD2 4.19Å; L221-L290 HydrophobicContact CD1-CD1 3.77Å; L221-L290 HydrophobicContact CD2-CD1 4.48Å; L221-L290 HydrophobicContact CD2-CD2 4.33Å; L221-L290 HydrophobicContact CG-CD1 4.44Å
222A83.1Confident74.9Confident4 Ų421.8 Ų21.83%0.03312%0.12CC..Hα-helixtrans-62.4-43.6172.700000110.9V218 H219 I220 I224 T225 F226 C369V218-A222 VanDerWaalsContact O-CB 3.26Å; V218-A222 WeakPolarHBondContact O-CB 3.46Å; V218-A222 PolarHBondContact O-N 2.92Å; H219-A222 PolarHBondContact O-N 3.06Å; I220-A222 VanDerWaalsContact C-N 3.34Å; I220-A222 PolarHBondContact O-N 3.35Å; A222-I224 PolarHBondContact O-N 3.27Å; A222-T225 CarbonylContact O-C 3.2Å; A222-T225 WeakPolarHBondContact O-CB 3.28Å; A222-T225 PolarHBondContact O-N 3.01Å; A222-T225 VanDerWaalsContact O-N 3.12Å; A222-F226 WeakPolarHBondContact O-CD2 3.32Å; A222-F226 PolarHBondContact O-N 3.42Å; A222-C369 HydrophobicContact CB-CB 4.04Å
223S82.6Confident73.1Confident21 Ų2124.3 Ų24.315%0.14714%0.137CC..Hα-helixtrans-62.2-41.2178.176.40000112.7W148 H219 I220 T225 F226 S227W148-S223 PolarHBondContact NE1-OG 3.41Å; H219-S223 PolarHBondContact O-N 3Å; I220-S223 WeakPolarHBondContact O-CB 3.47Å; I220-S223 PolarHBondContact O-N 3.04Å; I220-S223 VanDerWaalsContact O-N 3.12Å; I220-S223 PolarHBondContact O-OG 3.42Å; S223-T225 VanDerWaalsContact C-N 3.28Å; S223-T225 PolarHBondContact O-N 2.86Å; S223-F226 PolarHBondContact O-N 3.49Å; S223-S227 WeakPolarHBondContact O-CB 3.36Å; S223-S227 PolarHBondContact O-N 3.41Å; S223-S227 PolarHBondContact O-OG 2.65Å
224I82.9Confident70.5Confident2 Ų229.5 Ų29.51%0.0117%0.167CC..Hα-helixtrans-61.9-40.3173.9-65.9164.5000110.4W148 M166 L169 I220 L221 A222 S227 N228 M280W148-I224 HydrophobicContact CH2-CD1 4.41Å; W148-I224 HydrophobicContact CZ2-CD1 3.72Å; W148-I224 HydrophobicContact CZ2-CG1 3.99Å; M166-I224 HydrophobicContact SD-CD1 4.16Å; M166-I224 HydrophobicContact SD-CG2 4.39Å; L169-I224 HydrophobicContact CD1-CD1 3.62Å; I220-I224 HydrophobicContact CG2-CD1 4.04Å; I220-I224 WeakPolarHBondContact O-CG1 3.4Å; I220-I224 PolarHBondContact O-N 2.73Å; L221-I224 HydrophobicContact CD2-CD1 4.49Å; L221-I224 PolarHBondContact O-N 3.32Å; A222-I224 PolarHBondContact O-N 3.27Å; I224-S227 PolarHBondContact O-OG 2.94Å; I224-N228 PolarHBondContact O-ND2 2.96Å; I224-N228 VanDerWaalsContact O-ND2 3.15Å; I224-M280 HydrophobicContact CD1-CE 4.2Å; I224-M280 HydrophobicContact CD1-SD 3.79Å; I224-M280 HydrophobicContact CG1-CB 4.46Å; I224-M280 HydrophobicContact CG1-SD 4.17Å; I224-M280 HydrophobicContact CG2-CB 4.14Å; I224-M280 HydrophobicContact CG2-CG 4.23Å
225T79.9Confident67.9Low0 Ų033.9 Ų33.90%020%0.198CC..Hα-helixtrans-66.6-47.4177.8-54.40000110.1L221 A222 S223 L373 Q376L221-T225 WeakPolarHBondContact O-CB 3.38Å; L221-T225 PolarHBondContact O-N 3.36Å; L221-T225 PolarHBondContact O-OG1 3.3Å; A222-T225 CarbonylContact O-C 3.2Å; A222-T225 WeakPolarHBondContact O-CB 3.28Å; A222-T225 PolarHBondContact O-N 3.01Å; A222-T225 VanDerWaalsContact O-N 3.12Å; S223-T225 VanDerWaalsContact C-N 3.28Å; S223-T225 PolarHBondContact O-N 2.86Å; T225-L373 HydrophobicContact CG2-CB 4.48Å; T225-L373 HydrophobicContact CG2-CD2 3.73Å; T225-L373 HydrophobicContact CG2-CG 3.89Å; T225-Q376 VanDerWaalsContact O-CD 3.32Å; T225-Q376 PolarHBondContact O-NE2 3.39Å; T225-Q376 PolarHBondContact O-OE1 3.42Å
226F77.3Confident65.7Low44 Ų4437.6 Ų37.619%0.19323%0.226CC..Hα-helixtrans-77.6-31.3-175.1-76.7-72.8000115A222 S223 N228 L229 D230 R368 W438A222-F226 WeakPolarHBondContact O-CD2 3.32Å; A222-F226 PolarHBondContact O-N 3.42Å; S223-F226 PolarHBondContact O-N 3.49Å; F226-N228 PolarHBondContact O-N 3.43Å; F226-L229 HydrophobicContact CD1-CD2 4.45Å; F226-L229 WeakPolarHBondContact O-CA 3.23Å; F226-L229 VanDerWaalsContact O-CB 3.24Å; F226-L229 WeakPolarHBondContact O-CB 3.29Å; F226-L229 PolarHBondContact O-N 3.44Å; F226-D230 PolarHBondContact O-N 3.16Å; F226-R368 HydrophobicContact CE2-CG 3.66Å; F226-R368 WeakPolarHBondContact CE2-O 3.46Å; F226-R368 HydrophobicContact CZ-CG 3.68Å; F226-R368 WeakPolarHBondContact CZ-O 3.5Å; F226-W438 HydrophobicContact CZ-CH2 4.44Å; F226-W438 HydrophobicContact CZ-CZ3 4.44Å
227S73.3Confident62.8Low20 Ų2044 Ų4414%0.1426%0.26CS..Hα-helixtrans-59.8-30.5178.3610000112.6S223 I224 L229 N279S223-S227 WeakPolarHBondContact O-CB 3.36Å; S223-S227 PolarHBondContact O-N 3.41Å; S223-S227 PolarHBondContact O-OG 2.65Å; I224-S227 PolarHBondContact O-OG 2.94Å; S227-L229 VanDerWaalsContact C-N 3.3Å; S227-L229 PolarHBondContact O-N 3.17Å; S227-N279 PolarHBondContact O-ND2 2.86Å
228N61.9Low59.8Low37 Ų3751 Ų5120%0.19830%0.296CS..Hα-helixtrans-72.8-20.5174.1-72.5-38.3000113.3I224 F226 N279 M280 Q376I224-N228 PolarHBondContact O-ND2 2.96Å; I224-N228 VanDerWaalsContact O-ND2 3.15Å; F226-N228 PolarHBondContact O-N 3.43Å; N228-N279 PolarHBondContact OD1-ND2 2.97Å; N228-M280 PolarHBondContact ND2-O 3.46Å; N228-Q376 VanDerWaalsContact C-NE2 3.33Å
229L52.6Low56.9Low34 Ų3456 Ų5618%0.17833%0.326CS..Hα-helixtrans-79.3-42.6179.7-158.282.1000111.8F226 S227 N231 S232 S233 T375 Q376F226-L229 HydrophobicContact CD1-CD2 4.45Å; F226-L229 WeakPolarHBondContact O-CA 3.23Å; F226-L229 VanDerWaalsContact O-CB 3.24Å; F226-L229 WeakPolarHBondContact O-CB 3.29Å; F226-L229 PolarHBondContact O-N 3.44Å; S227-L229 VanDerWaalsContact C-N 3.3Å; S227-L229 PolarHBondContact O-N 3.17Å; L229-N231 PolarHBondContact O-N 3.23Å; L229-N231 VanDerWaalsContact O-N 3.16Å; L229-S232 PolarHBondContact O-N 2.9Å; L229-S232 PolarHBondContact O-OG 3.48Å; L229-S233 PolarHBondContact O-N 3.34Å; L229-T375 HydrophobicContact CD1-CG2 3.51Å; L229-T375 HydrophobicContact CD2-CG2 4.34Å; L229-Q376 HydrophobicContact CD1-CG 3.84Å; L229-Q376 VanDerWaalsContact N-NE2 3.13Å
230D52.9Low54Low86 Ų8662.4 Ų62.446%0.4636%0.361SS..Hα-helixtrans-61.8-24.7-177.2-72.5-21.3000112.6F226 S233F226-D230 PolarHBondContact O-N 3.16Å; D230-S233 PolarHBondContact O-OG 2.98Å
231N45.2Very low51.1Low88 Ų8870.1 Ų70.147%0.47140%0.397SS..Hα-helixtrans-85.1-25.5173-76.2-29.2000114L229 N279L229-N231 PolarHBondContact O-N 3.23Å; L229-N231 VanDerWaalsContact O-N 3.16Å; N231-N279 PolarHBondContact ND2-ND2 2.82Å
232S39.2Very low48.1Very low56 Ų5674.5 Ų74.539%0.39243%0.428SS..Hα-helixtrans-73-34.5178.773.80000112.5L229 N234 S235L229-S232 PolarHBondContact O-N 2.9Å; L229-S232 PolarHBondContact O-OG 3.48Å; S232-N234 VanDerWaalsContact C-N 3.26Å; S232-N234 PolarHBondContact O-N 2.93Å; S232-S235 PolarHBondContact O-N 3.47Å; S232-S235 PolarHBondContact O-OG 3.31Å
233S37.2Very low45.4Very low62 Ų6281.3 Ų81.343%0.43446%0.462SS..THydrogen-bonded Turntrans-70.6-19.7-177.760.60000113.4L229 D230 S235L229-S233 PolarHBondContact O-N 3.34Å; D230-S233 PolarHBondContact O-OG 2.98Å; S233-S235 PolarHBondContact O-N 3.2Å
234N29.9Very low42.6Very low144 Ų14485.2 Ų85.277%0.7749%0.485SS*.THydrogen-bonded Turntrans-68-8.7168.4-86.1-24.5000113.7S232S232-N234 VanDerWaalsContact C-N 3.26Å; S232-N234 PolarHBondContact O-N 2.93Å
235S28.8Very low39.9Very low95 Ų9591 Ų9166%0.66452%0.522SS*.THydrogen-bonded Turntrans-117.7-11.1-174.472.30000117.5S232 S233S232-S235 PolarHBondContact O-N 3.47Å; S232-S235 PolarHBondContact O-OG 3.31Å; S233-S235 PolarHBondContact O-N 3.2Å
236S31.5Very low37.4Very low92 Ų9297.9 Ų97.964%0.64356%0.559SS**THydrogen-bonded Turntrans-1598.1-177.6570000119.6
237L24.3Very low34.9Very low134 Ų134100 Ų10070%0.70258%0.58SS**  trans-10334.8175.2-105.1145000113.6T239L237-T239 VanDerWaalsContact C-N 3.26Å
238I25.1Very low32.6Very low147 Ų147108.5 Ų108.575%0.75462%0.618SS**  trans-92.474.3145.9-51.9175.9000105.3N240I238-N240 VanDerWaalsContact C-N 3.3Å; I238-N240 PolarHBondContact O-N 2.9Å
239T26.4Very low30.9Very low104 Ų104110.5 Ų110.564%0.63865%0.647SS**  trans-62.9104.9160.337.70000106L237 E241L237-T239 VanDerWaalsContact C-N 3.26Å; T239-E241 PolarHBondContact O-N 3.18Å
240N24.6Very low29.5Very low140 Ų140116.4 Ų116.475%0.74968%0.678SS**  trans-56.773.3162.6-74.4-26.6000109.2I238I238-N240 VanDerWaalsContact C-N 3.3Å; I238-N240 PolarHBondContact O-N 2.9Å
241E25.6Very low28.2Very low162 Ų162118.6 Ų118.676%0.75769%0.69SS**  trans-96.968148.6-75.6-173.5172.300106.1T239 I243T239-E241 PolarHBondContact O-N 3.18Å; E241-I243 PolarHBondContact O-N 3.3Å
242S26.1Very low27.3Very low93 Ų93120.9 Ų120.965%0.6570%0.703SS**  trans-58.886.9148.753.30000106.3T244S242-T244 PolarHBondContact O-N 3.49Å
243I26.6Very low26.7Very low146 Ų146125.3 Ų125.375%0.74972%0.722SS**  trans-61.394.6160.1-61.5173000104.1E241 P245E241-I243 PolarHBondContact O-N 3.3Å; I243-P245 WeakPolarHBondContact O-CD 3.4Å
244T23Very low26.2Very low103 Ų103132.3 Ų132.363%0.63275%0.745SS**  trans-62.3114.3168.441.60000107S242 N246S242-T244 PolarHBondContact O-N 3.49Å; T244-N246 PolarHBondContact O-N 3.49Å
245P25.8Very low25.9Very low123 Ų123134 Ų13480%0.79975%0.747SS**  trans-71.6103172.828.3-28.2000107.1I243 S247I243-P245 WeakPolarHBondContact O-CD 3.4Å; P245-S247 PolarHBondContact O-N 3.38Å
246N27.3Very low25.7Very low145 Ų145134.9 Ų134.978%0.77575%0.751SS**  trans-62.3108162.8-86.1-11.7000108T244T244-N246 PolarHBondContact O-N 3.49Å
247S25.4Very low25.4Very low90 Ų90136.4 Ų136.463%0.62976%0.756SS**  trans39.9116.6134.463.40000118.7P245P245-S247 PolarHBondContact O-N 3.38Å
248E24.7Very low25.4Very low198 Ų198136.7 Ų136.793%0.92576%0.758SS**  trans58.999.2131.5-63.3-178.4166.800117.6
249G26.7Very low25.4Very low79 Ų79135 Ų13581%0.81476%0.755SS**  trans-166.2105.8164.600000110.5
250N23.3Very low25.3Very low157 Ų157138.2 Ų138.284%0.8476%0.763SS**  trans-51.5163.6176.4-86.2-23.2000115.1
251D25.7Very low25.4Very low133 Ų133135.1 Ų135.171%0.71175%0.752SS**  trans92.8102.7154.3-65-31.3000118.7
252N25.4Very low25.4Very low136 Ų136133.3 Ų133.373%0.72776%0.757SS**  50.9132.5122.1-62.6-27.1000119.7
253D26.7Very low25.3Very low149 Ų149133.2 Ų133.280%0.79776%0.757SS**  trans69.786.5163.7-59.9-26.5000116.5
254K27.2Very low25.3Very low209 Ų209129.8 Ų129.891%0.90975%0.746SS**  trans-157.6128.3138.1-102.1144.7-166.1-174.40112
255Q23.1Very low25.5Very low178 Ų178132.1 Ų132.183%0.83275%0.753SS**  trans-44154.2169.6-78173.9-55.300112.9V257Q255-V257 PolarHBondContact O-N 3.03Å
256P25.4Very low25.6Very low114 Ų114133.4 Ų133.474%0.7475%0.752SS**  trans-61.6112.8-177.426.2-33.1000109.5D258P256-D258 PolarHBondContact O-N 2.87Å
257V25.8Very low25.5Very low124 Ų124130.3 Ų130.375%0.75274%0.742SS**  trans-74.2104.4163.5-179.20000105.2Q255 V259Q255-V257 PolarHBondContact O-N 3.03Å; V257-V259 HydrophobicContact CB-CG2 4.5Å; V257-V259 HydrophobicContact CG1-CG2 3.8Å; V257-V259 PolarHBondContact O-N 3.41Å
258D24.2Very low25.4Very low140 Ų140133.2 Ų133.275%0.74975%0.749SS**  trans-60.181.4165.9-79.1-42.1000109P256 Q260P256-D258 PolarHBondContact O-N 2.87Å; D258-Q260 PolarHBondContact O-N 3.12Å
259V24.6Very low25.6Very low113 Ų113132.1 Ų132.169%0.68574%0.744SS**  trans-78.370.1159.3-171.90000106.2V257 S261V257-V259 HydrophobicContact CB-CG2 4.5Å; V257-V259 HydrophobicContact CG1-CG2 3.8Å; V257-V259 PolarHBondContact O-N 3.41Å; V259-S261 PolarHBondContact O-N 3.19Å
260Q25.2Very low25.4Very low170 Ų170136.9 Ų136.979%0.79475%0.745SS**  trans-73.180.2154.1-78.1-169.4-5.500106.8D258 S262D258-Q260 PolarHBondContact O-N 3.12Å; Q260-S262 PolarHBondContact O-N 2.89Å
261S26.8Very low25.4Very low76 Ų76139 Ų13953%0.53175%0.747SS.*  trans-42.7120.9163.832.60000109.6V259 S263V259-S261 PolarHBondContact O-N 3.19Å; S261-S263 PolarHBondContact O-N 2.68Å
262S24.7Very low25.4Very low123 Ų123136.2 Ų136.286%0.8674%0.738SS**SBendtrans-7136.9-172.5-26.10000113.5Q260Q260-S262 PolarHBondContact O-N 2.89Å
263S24.6Very low25.4Very low91 Ų91138.3 Ų138.364%0.63675%0.749SS**  trans-105.88.8-177.658.60000113.8S261S261-S263 PolarHBondContact O-N 2.68Å
264S25.5Very low25.5Very low75 Ų75136 Ų13652%0.52473%0.734SS.*  trans-95.10.1-171.148.80000116.3L266S264-L266 VanDerWaalsContact C-N 3.26Å; S264-L266 PolarHBondContact O-N 2.83Å
265I27.5Very low25.7Very low152 Ų152130.4 Ų130.478%0.77972%0.719SS**SBendtrans-70.6-24.2177.2-63.6176.7000111.8
266L28.8Very low26.5Very low149 Ų149127 Ų12778%0.7871%0.714SS**SBendtrans-105.7-4.2-174.1-83.8160000115.8S264S264-L266 VanDerWaalsContact C-N 3.26Å; S264-L266 PolarHBondContact O-N 2.83Å
267S25Very low27.6Very low80 Ų80126.3 Ų126.356%0.55970%0.701SS**  trans-116.213.8-171.468.60000116.3H269S267-H269 PolarHBondContact O-N 3.46Å
268L23.6Very low28.9Very low151 Ų151123.5 Ų123.579%0.79168%0.68SS**  trans-85.78.6-176.6-138.7102000116.1
269H27.2Very low30.7Very low176 Ų176118.5 Ų118.582%0.81565%0.653SS**  trans-114.581.6170.8-77.3-65.2000111.1S267S267-H269 PolarHBondContact O-N 3.46Å
270Q23.7Very low32.8Very low179 Ų179113.2 Ų113.284%0.83662%0.621SS**  trans-79.4129.2164.1-80.4-175.7-12.600111
271K23.5Very low35Very low200 Ų200107.9 Ų107.987%0.8760%0.601SS**  trans54.686.8148.2-75179174.1174.10118.2
272S25Very low37.5Very low75 Ų75105 Ų10552%0.52458%0.579SS.*  trans-114136.2131.150.20000107.9E274S272-E274 WeakPolarHBondContact CB-OE1 3.26Å; S272-E274 PolarHBondContact O-N 3.34Å; S272-E274 WeakPolarHBondContact OG-CG 2.94Å; S272-E274 PolarHBondContact OG-OE1 3.08Å
273N24.4Very low40.4Very low180 Ų180101.7 Ų101.796%0.96355%0.554SS**  trans-71.762.4168.1-81.8-15.1000108.6
274E29.1Very low43.2Very low102 Ų102101.8 Ų101.848%0.47755%0.545SS..  trans-77.2145175.7-86.7171.2-140.300110N87 S272 S276N87-E274 PolarHBondContact ND2-OE2 3.49Å; S272-E274 WeakPolarHBondContact CB-OE1 3.26Å; S272-E274 PolarHBondContact O-N 3.34Å; S272-E274 WeakPolarHBondContact OG-CG 2.94Å; S272-E274 PolarHBondContact OG-OE1 3.08Å; E274-S276 PolarHBondContact O-N 3.23Å
275P32.9Very low46.2Very low91 Ų91105.3 Ų105.359%0.59155%0.553SS**  trans-56.2129.4178.724.5-31.7000108.3P89 E277P89-P275 HydrophobicContact CB-CG 4.12Å; P89-P275 HydrophobicContact CG-CG 4.25Å; P275-E277 PolarHBondContact O-N 3.34Å
276S39.6Very low49.2Very low106 Ų106100.1 Ų100.174%0.74152%0.524SS*.  trans-34.5115.2180530000110.5E274 Q278E274-S276 PolarHBondContact O-N 3.23Å; S276-Q278 PolarHBondContact O-N 2.76Å; S276-Q278 VanDerWaalsContact O-N 3.12Å
277E48.3Very low52.1Low99 Ų9993 Ų9346%0.46349%0.486SS..  trans-44.9125.3173.6-71.6-176.6165.500107.9P275 N279P275-E277 PolarHBondContact O-N 3.34Å; E277-N279 VanDerWaalsContact C-N 3.25Å; E277-N279 PolarHBondContact O-N 3.26Å; E277-N279 PolarHBondContact O-OD1 3.35Å
278Q53Low55.3Low66 Ų6691.4 Ų91.431%0.30847%0.471SS..  trans-67.693.7177.6-78.5-176.3-18.600107.7L152 F155 M162 S276 M280L152-Q278 PolarHBondContact O-OE1 3.03Å; F155-Q278 PolarHBondContact O-NE2 3.01Å; F155-Q278 PolarHBondContact O-OE1 3.18Å; F155-Q278 VanDerWaalsContact O-OE1 3.09Å; M162-Q278 HydrophobicContact CE-CB 4.24Å; S276-Q278 PolarHBondContact O-N 2.76Å; S276-Q278 VanDerWaalsContact O-N 3.12Å; Q278-M280 PolarHBondContact O-N 3.04Å
279N61.9Low58.5Low34 Ų3488.7 Ų88.718%0.18246%0.455CS..  trans-80.2123.5-177.3-79.314.4000110.3S227 N228 N231 E277 P281S227-N279 PolarHBondContact O-ND2 2.86Å; N228-N279 PolarHBondContact OD1-ND2 2.97Å; N231-N279 PolarHBondContact ND2-ND2 2.82Å; E277-N279 VanDerWaalsContact C-N 3.25Å; E277-N279 PolarHBondContact O-N 3.26Å; E277-N279 PolarHBondContact O-OD1 3.35Å; N279-P281 WeakPolarHBondContact O-CD 3.43Å
280M68.6Low61.6Low2 Ų280.3 Ų80.31%0.0142%0.416CS..  trans-80.2115.8170.1-176.1161.617100108.7W148 L152 M162 T165 M166 L169 I224 N228 Q278 I282W148-M280 HydrophobicContact CH2-SD 4.27Å; W148-M280 HydrophobicContact CZ2-SD 4.03Å; L152-M280 HydrophobicContact CD2-SD 4.37Å; M162-M280 HydrophobicContact CB-CG 4.38Å; M162-M280 WeakPolarHBondContact O-CE 3.39Å; T165-M280 HydrophobicContact CG2-CE 4.06Å; M166-M280 HydrophobicContact CB-CE 3.29Å; M166-M280 HydrophobicContact CG-CE 4.08Å; M166-M280 HydrophobicContact SD-CE 3.81Å; L169-M280 HydrophobicContact CD1-CE 4.2Å; I224-M280 HydrophobicContact CD1-CE 4.2Å; I224-M280 HydrophobicContact CD1-SD 3.79Å; I224-M280 HydrophobicContact CG1-CB 4.46Å; I224-M280 HydrophobicContact CG1-SD 4.17Å; I224-M280 HydrophobicContact CG2-CB 4.14Å; I224-M280 HydrophobicContact CG2-CG 4.23Å; N228-M280 PolarHBondContact ND2-O 3.46Å; Q278-M280 PolarHBondContact O-N 3.04Å; M280-I282 PolarHBondContact O-N 2.93Å
281P70.6Confident65Low58 Ų5871.9 Ų71.938%0.37738%0.377SS..PPolyproline II helixtrans-71.1132.4-179.828.6-33.1000110N279N279-P281 WeakPolarHBondContact O-CD 3.43Å
282I79.6Confident68.2Low16 Ų1668 Ų688%0.08236%0.36CS..PPolyproline II helixtrans-98.3126.7167.6-172.9167.5000108.7M166 M280 A287 L290 L373 F377M166-I282 HydrophobicContact CE-CD1 3.69Å; M166-I282 HydrophobicContact CE-CG1 4.01Å; M280-I282 PolarHBondContact O-N 2.93Å; I282-A287 HydrophobicContact CD1-CB 4.03Å; I282-A287 HydrophobicContact CG1-CB 4.18Å; I282-L290 HydrophobicContact CD1-CD2 4.21Å; I282-L373 HydrophobicContact CD1-CD2 3.85Å; I282-F377 HydrophobicContact CG2-CE2 3.71Å; I282-F377 HydrophobicContact CG2-CZ 3.98Å; I282-F377 WeakPolarHBondContact O-CZ 3.26Å
283T85.3Confident71.4Confident54 Ų5465.3 Ų65.333%0.33134%0.34SS..PPolyproline II helixtrans-79.5160.1173.666.40000110E285 Y286 A287T283-E285 PolarHBondContact O-N 3.03Å; T283-Y286 HydrophobicContact CG2-CD2 4.17Å; T283-Y286 HydrophobicContact CG2-CE2 4.39Å; T283-Y286 PolarHBondContact O-N 3.25Å; T283-Y286 WeakPolarHBondContact OG1-CB 3.27Å; T283-Y286 WeakPolarHBondContact OG1-CD2 3.5Å; T283-Y286 VanDerWaalsContact OG1-CG 3.23Å; T283-Y286 PolarHBondContact OG1-N 3.36Å; T283-A287 WeakPolarHBondContact O-CB 3.43Å; T283-A287 PolarHBondContact O-N 2.96Å
284Q85.1Confident74.6Confident93 Ų9356.8 Ų56.844%0.43529%0.294SS..Hα-helixtrans-60.5-34.3175.3-179171.2-3.800112.6A287 N288 F377Q284-A287 PolarHBondContact O-N 2.8Å; Q284-N288 WeakPolarHBondContact O-CB 3.41Å; Q284-N288 PolarHBondContact O-N 3.4Å; Q284-F377 HydrophobicContact CB-CD1 4.09Å; Q284-F377 HydrophobicContact CB-CE1 4.07Å; Q284-F377 HydrophobicContact CG-CD1 4.26Å
285E88.1Confident77.6Confident149 Ų14952 Ų5270%0.69627%0.271SS*.Hα-helixtrans-62.7-51176.2-66.3176.6176.400110.8T283 A287 N288 E289T283-E285 PolarHBondContact O-N 3.03Å; E285-A287 VanDerWaalsContact C-N 3.32Å; E285-A287 PolarHBondContact O-N 3.27Å; E285-N288 PolarHBondContact O-N 3.13Å; E285-N288 VanDerWaalsContact O-N 3.17Å; E285-E289 PolarHBondContact O-N 2.92Å
286Y90.4Very high80.3Confident42 Ų4247.6 Ų47.617%0.16524%0.243CC..Hα-helixtrans-61.3-38.7175.4-70-18.5000112.7M166 L170 T283 N288 E289 L290M166-Y286 HydrophobicContact CB-CD2 4.15Å; M166-Y286 HydrophobicContact CB-CE2 4.07Å; M166-Y286 HydrophobicContact CG-CD2 3.6Å; M166-Y286 HydrophobicContact CG-CE2 4.03Å; M166-Y286 HydrophobicContact CG-CG 4.15Å; L170-Y286 HydrophobicContact CD1-CD1 3.44Å; L170-Y286 VanDerWaalsContact CD1-CD1 3.44Å; L170-Y286 HydrophobicContact CD1-CD2 4.41Å; L170-Y286 HydrophobicContact CD1-CE1 4.2Å; L170-Y286 HydrophobicContact CD1-CG 3.58Å; T283-Y286 HydrophobicContact CG2-CD2 4.17Å; T283-Y286 HydrophobicContact CG2-CE2 4.39Å; T283-Y286 PolarHBondContact O-N 3.25Å; T283-Y286 WeakPolarHBondContact OG1-CB 3.27Å; T283-Y286 WeakPolarHBondContact OG1-CD2 3.5Å; T283-Y286 VanDerWaalsContact OG1-CG 3.23Å; T283-Y286 PolarHBondContact OG1-N 3.36Å; Y286-N288 VanDerWaalsContact C-N 3.33Å; Y286-N288 PolarHBondContact O-N 3.36Å; Y286-E289 PolarHBondContact O-N 3Å; Y286-L290 VanDerWaalsContact O-CB 3.26Å; Y286-L290 WeakPolarHBondContact O-CB 3.49Å; Y286-L290 PolarHBondContact O-N 3.39Å
287A89.8Confident82.7Confident0 Ų042.6 Ų42.60%021%0.208CC..Hα-helixtrans-64.4-37.717600000112.2I282 T283 Q284 E285 L291 L373 F377 L380I282-A287 HydrophobicContact CD1-CB 4.03Å; I282-A287 HydrophobicContact CG1-CB 4.18Å; T283-A287 WeakPolarHBondContact O-CB 3.43Å; T283-A287 PolarHBondContact O-N 2.96Å; Q284-A287 PolarHBondContact O-N 2.8Å; E285-A287 VanDerWaalsContact C-N 3.32Å; E285-A287 PolarHBondContact O-N 3.27Å; A287-L291 WeakPolarHBondContact O-CB 3.34Å; A287-L291 PolarHBondContact O-N 3.49Å; A287-L373 HydrophobicContact CB-CD2 4.04Å; A287-F377 HydrophobicContact CB-CD2 3.54Å; A287-F377 HydrophobicContact CB-CE2 3.66Å; A287-F377 HydrophobicContact CB-CG 4.15Å; A287-F377 HydrophobicContact CB-CZ 4.34Å; A287-L380 HydrophobicContact CB-CD1 3.91Å
288N91.3Very high84.6Confident46 Ų4637.9 Ų37.925%0.24619%0.186CC..Hα-helixtrans-70.7-41.2177-17242.7000112.3Q284 E285 Y286 L291 K292 L380 S383Q284-N288 WeakPolarHBondContact O-CB 3.41Å; Q284-N288 PolarHBondContact O-N 3.4Å; E285-N288 PolarHBondContact O-N 3.13Å; E285-N288 VanDerWaalsContact O-N 3.17Å; Y286-N288 VanDerWaalsContact C-N 3.33Å; Y286-N288 PolarHBondContact O-N 3.36Å; N288-L291 PolarHBondContact O-N 3.17Å; N288-K292 WeakPolarHBondContact O-CG 3.41Å; N288-K292 PolarHBondContact O-N 3.48Å; N288-L380 HydrophobicContact CB-CD2 3.9Å; N288-S383 PolarHBondContact OD1-OG 2.82Å
289E91.4Very high86.2Confident95 Ų9534.9 Ų34.944%0.44417%0.172SC..Hα-helixtrans-62.5-47.7173.6-71.6-176.6172.700111.4E285 Y286 L291 K292 I293E285-E289 PolarHBondContact O-N 2.92Å; Y286-E289 PolarHBondContact O-N 3Å; E289-L291 VanDerWaalsContact C-N 3.32Å; E289-L291 PolarHBondContact O-N 2.9Å; E289-K292 WeakPolarHBondContact O-CB 3.46Å; E289-K292 PolarHBondContact O-N 3.22Å; E289-I293 WeakPolarHBondContact O-CG1 3.47Å; E289-I293 PolarHBondContact O-N 3.03Å; E289-I293 VanDerWaalsContact O-N 3.13Å
290L93.2Very high87.3Confident0 Ų033.2 Ų33.20%016%0.163CC..Hα-helixtrans-58.8-43.9176.9-177.654000111.8L170 L221 I282 Y286 K292 I293 L294 L373L170-L290 HydrophobicContact CD2-CB 3.83Å; L170-L290 HydrophobicContact CD2-CD1 4.16Å; L170-L290 HydrophobicContact CD2-CG 4.45Å; L221-L290 HydrophobicContact CB-CD1 4.39Å; L221-L290 HydrophobicContact CB-CD2 4.19Å; L221-L290 HydrophobicContact CD1-CD1 3.77Å; L221-L290 HydrophobicContact CD2-CD1 4.48Å; L221-L290 HydrophobicContact CD2-CD2 4.33Å; L221-L290 HydrophobicContact CG-CD1 4.44Å; I282-L290 HydrophobicContact CD1-CD2 4.21Å; Y286-L290 VanDerWaalsContact O-CB 3.26Å; Y286-L290 WeakPolarHBondContact O-CB 3.49Å; Y286-L290 PolarHBondContact O-N 3.39Å; L290-K292 VanDerWaalsContact C-N 3.33Å; L290-K292 PolarHBondContact O-N 3.35Å; L290-I293 PolarHBondContact O-N 3.21Å; L290-L294 HydrophobicContact CD1-CD1 4.12Å; L290-L294 HydrophobicContact CD1-CD2 4.4Å; L290-L294 HydrophobicContact CD1-CG 4.01Å; L290-L294 HydrophobicContact CG-CD1 3.85Å; L290-L294 HydrophobicContact CG-CG 4.24Å; L290-L294 VanDerWaalsContact O-CG 3.28Å; L290-L294 WeakPolarHBondContact O-CG 3.42Å; L290-L294 PolarHBondContact O-N 3.25Å; L290-L373 HydrophobicContact CB-CD1 4.33Å; L290-L373 HydrophobicContact CD2-CD1 3.98Å; L290-L373 HydrophobicContact CD2-CD2 4.12Å; L290-L373 HydrophobicContact CG-CD1 3.93Å
291L93.6Very high87.9Confident2 Ų233.4 Ų33.41%0.0116%0.164CC..Hα-helixtrans-56.9-46.5177.1-18070.9000111.6A287 N288 E289 I293 L294 C295 I370 L380 L384A287-L291 WeakPolarHBondContact O-CB 3.34Å; A287-L291 PolarHBondContact O-N 3.49Å; N288-L291 PolarHBondContact O-N 3.17Å; E289-L291 VanDerWaalsContact C-N 3.32Å; E289-L291 PolarHBondContact O-N 2.9Å; L291-I293 VanDerWaalsContact C-N 3.31Å; L291-I293 PolarHBondContact O-N 3.42Å; L291-L294 PolarHBondContact O-N 3.35Å; L291-C295 WeakPolarHBondContact O-CB 3.45Å; L291-C295 PolarHBondContact O-N 2.77Å; L291-C295 PolarHBondContact O-SG 3.41Å; L291-I370 HydrophobicContact CD1-CG1 4.25Å; L291-I370 HydrophobicContact CD1-CG2 3.92Å; L291-L380 HydrophobicContact CD2-CB 3.91Å; L291-L380 HydrophobicContact CD2-CD1 4.48Å; L291-L380 HydrophobicContact CD2-CD2 4.18Å; L291-L380 HydrophobicContact CD2-CG 4.4Å; L291-L384 HydrophobicContact CD1-CD1 4.14Å
292K91.7Very high88.3Confident119 Ų11932 Ų3252%0.51715%0.153SC..Hα-helixtrans-59.3-44.1178.6-70.4174-177.9-1800111.4N288 E289 L290 C295 G296N288-K292 WeakPolarHBondContact O-CG 3.41Å; N288-K292 PolarHBondContact O-N 3.48Å; E289-K292 WeakPolarHBondContact O-CB 3.46Å; E289-K292 PolarHBondContact O-N 3.22Å; L290-K292 VanDerWaalsContact C-N 3.33Å; L290-K292 PolarHBondContact O-N 3.35Å; K292-C295 PolarHBondContact O-N 3.14Å; K292-G296 PolarHBondContact O-N 3.4Å
293I91.7Very high88.3Confident18 Ų1833.1 Ų33.19%0.09216%0.156CC..Hα-helixtrans-62-50177.7-61.8164.3000110.3C177 E289 L290 L291 C295 G296 I297C177-I293 HydrophobicContact CB-CG2 3.77Å; E289-I293 WeakPolarHBondContact O-CG1 3.47Å; E289-I293 PolarHBondContact O-N 3.03Å; E289-I293 VanDerWaalsContact O-N 3.13Å; L290-I293 PolarHBondContact O-N 3.21Å; L291-I293 VanDerWaalsContact C-N 3.31Å; L291-I293 PolarHBondContact O-N 3.42Å; I293-C295 VanDerWaalsContact C-N 3.28Å; I293-C295 PolarHBondContact O-N 2.81Å; I293-G296 PolarHBondContact O-N 3.44Å; I293-G296 VanDerWaalsContact O-N 3.14Å; I293-I297 HydrophobicContact CG2-CD1 4.09Å; I293-I297 WeakPolarHBondContact O-CG1 3.38Å; I293-I297 PolarHBondContact O-N 3.04Å
294L92.4Very high87.9Confident0 Ų030.6 Ų30.60%014%0.141CC..Hα-helixtrans-61.2-37.3179-66170.5000112.1V218 L290 L291 I297 L298 V366 C369 I370 L373V218-L294 HydrophobicContact CG1-CD2 4.35Å; V218-L294 HydrophobicContact CG2-CD2 4.39Å; L290-L294 HydrophobicContact CD1-CD1 4.12Å; L290-L294 HydrophobicContact CD1-CD2 4.4Å; L290-L294 HydrophobicContact CD1-CG 4.01Å; L290-L294 HydrophobicContact CG-CD1 3.85Å; L290-L294 HydrophobicContact CG-CG 4.24Å; L290-L294 VanDerWaalsContact O-CG 3.28Å; L290-L294 WeakPolarHBondContact O-CG 3.42Å; L290-L294 PolarHBondContact O-N 3.25Å; L291-L294 PolarHBondContact O-N 3.35Å; L294-I297 PolarHBondContact O-N 3.05Å; L294-L298 WeakPolarHBondContact O-CG 3.48Å; L294-L298 PolarHBondContact O-N 2.96Å; L294-V366 HydrophobicContact CB-CG1 3.94Å; L294-V366 HydrophobicContact CD2-CG1 3.91Å; L294-V366 HydrophobicContact CG-CG1 4.47Å; L294-C369 HydrophobicContact CD1-CB 4Å; L294-C369 HydrophobicContact CD2-CB 4.43Å; L294-I370 HydrophobicContact CB-CD1 4.11Å; L294-I370 HydrophobicContact CB-CG1 3.94Å; L294-I370 HydrophobicContact CD1-CG1 3.91Å; L294-L373 HydrophobicContact CD1-CD1 3.66Å
295C92.1Very high87.3Confident1 Ų127.6 Ų27.61%0.00713%0.129CC..Hα-helixtrans-63.9-42.3175.2-70.30000112L291 K292 I293 L298 V299 H387 T418L291-C295 WeakPolarHBondContact O-CB 3.45Å; L291-C295 PolarHBondContact O-N 2.77Å; L291-C295 PolarHBondContact O-SG 3.41Å; K292-C295 PolarHBondContact O-N 3.14Å; I293-C295 VanDerWaalsContact C-N 3.28Å; I293-C295 PolarHBondContact O-N 2.81Å; C295-L298 PolarHBondContact O-N 3.48Å; C295-V299 WeakPolarHBondContact O-CG2 3.42Å; C295-V299 PolarHBondContact O-N 3.32Å; C295-V299 VanDerWaalsContact O-N 3.15Å; C295-H387 VanDerWaalsContact CB-CD2 3.47Å; C295-H387 WeakPolarHBondContact CB-CD2 3.46Å; C295-H387 WeakPolarHBondContact CB-NE2 3.24Å; C295-T418 HydrophobicContact CB-CG2 4.01Å; C295-T418 WeakPolarHBondContact CB-OG1 3.33Å; C295-T418 PolarHBondContact O-OG1 3.08Å
296G89.6Confident86.6Confident0 Ų024.6 Ų24.60%012%0.115CC..Hα-helixtrans-60.5-46.8172.700000112.3K292 I293 L298 V299 I300K292-G296 PolarHBondContact O-N 3.4Å; I293-G296 PolarHBondContact O-N 3.44Å; I293-G296 VanDerWaalsContact O-N 3.14Å; G296-L298 PolarHBondContact O-N 2.95Å; G296-V299 PolarHBondContact O-N 2.92Å; G296-I300 PolarHBondContact O-N 3.38Å
297I88.3Confident85.8Confident0 Ų024.7 Ų24.70%012%0.116CC..Hα-helixtrans-57.2-47.2176.4-66.1172.7000111C177 W180 L214 V218 I293 L294 V299 I300 T301 F362 V366C177-I297 HydrophobicContact CB-CD1 4.43Å; C177-I297 HydrophobicContact CB-CG1 4.25Å; C177-I297 WeakPolarHBondContact SG-CG1 3.43Å; W180-I297 HydrophobicContact CZ3-CG2 4.25Å; L214-I297 HydrophobicContact CD1-CD1 4.14Å; V218-I297 HydrophobicContact CG2-CD1 4.16Å; I293-I297 HydrophobicContact CG2-CD1 4.09Å; I293-I297 WeakPolarHBondContact O-CG1 3.38Å; I293-I297 PolarHBondContact O-N 3.04Å; L294-I297 PolarHBondContact O-N 3.05Å; I297-V299 PolarHBondContact O-N 3.5Å; I297-I300 WeakPolarHBondContact O-CG2 3.47Å; I297-T301 VanDerWaalsContact O-CB 3.28Å; I297-T301 WeakPolarHBondContact O-CB 3.38Å; I297-T301 PolarHBondContact O-N 3.42Å; I297-T301 PolarHBondContact O-OG1 3.43Å; I297-F362 HydrophobicContact CG2-CD1 4.39Å; I297-F362 HydrophobicContact CG2-CE1 3.32Å; I297-F362 HydrophobicContact CG2-CZ 3.69Å; I297-V366 HydrophobicContact CG2-CG2 3.86Å
298L88.1Confident84.7Confident1 Ų124.8 Ų24.81%0.00512%0.116CC..Hα-helixtrans-60.3-47.7179.9-77.8179.5000112.4L294 C295 G296 T301 H302 K363 V366 I367 I370 T418 V421 I422L294-L298 WeakPolarHBondContact O-CG 3.48Å; L294-L298 PolarHBondContact O-N 2.96Å; C295-L298 PolarHBondContact O-N 3.48Å; G296-L298 PolarHBondContact O-N 2.95Å; L298-T301 PolarHBondContact O-N 2.65Å; L298-H302 WeakPolarHBondContact O-CB 3.43Å; L298-H302 PolarHBondContact O-N 2.83Å; L298-K363 HydrophobicContact CD2-CG 3.88Å; L298-V366 HydrophobicContact CD1-CG1 4.12Å; L298-V366 HydrophobicContact CD2-CB 3.81Å; L298-V366 HydrophobicContact CD2-CG1 3.59Å; L298-V366 HydrophobicContact CG-CB 4.28Å; L298-V366 HydrophobicContact CG-CG1 3.49Å; L298-V366 VanDerWaalsContact CG-CG1 3.49Å; L298-I367 HydrophobicContact CD1-CG1 4.19Å; L298-I367 HydrophobicContact CD2-CG1 3.91Å; L298-I370 HydrophobicContact CD1-CD1 3.4Å; L298-I370 HydrophobicContact CG-CD1 4.39Å; L298-T418 HydrophobicContact CB-CG2 4.34Å; L298-T418 HydrophobicContact CD1-CG2 3.79Å; L298-V421 HydrophobicContact CB-CG1 4.32Å; L298-I422 HydrophobicContact CD1-CG1 4.37Å
299V87.7Confident83.5Confident2 Ų226.4 Ų26.41%0.01212%0.122CC..Hα-helixtrans-64.5-46.1-176.4174.20000110.7C295 G296 I297 H302 Y303 F389 F415 L416 T418 V421C295-V299 WeakPolarHBondContact O-CG2 3.42Å; C295-V299 PolarHBondContact O-N 3.32Å; C295-V299 VanDerWaalsContact O-N 3.15Å; G296-V299 PolarHBondContact O-N 2.92Å; I297-V299 PolarHBondContact O-N 3.5Å; V299-H302 PolarHBondContact O-N 3.38Å; V299-Y303 WeakPolarHBondContact O-CB 3.2Å; V299-Y303 PolarHBondContact O-N 3.03Å; V299-F389 HydrophobicContact CB-CB 4.23Å; V299-F389 HydrophobicContact CB-CD2 3.76Å; V299-F389 HydrophobicContact CB-CE2 4.4Å; V299-F389 HydrophobicContact CB-CG 4.14Å; V299-F389 HydrophobicContact CG1-CB 3.66Å; V299-F389 HydrophobicContact CG1-CD1 4.2Å; V299-F389 HydrophobicContact CG1-CD2 3.71Å; V299-F389 HydrophobicContact CG1-CE2 4.39Å; V299-F389 HydrophobicContact CG1-CG 3.59Å; V299-F389 HydrophobicContact CG2-CB 4.31Å; V299-F389 HydrophobicContact CG2-CD2 4.44Å; V299-F415 HydrophobicContact CG1-CB 4.01Å; V299-F415 HydrophobicContact CG1-CD1 4.12Å; V299-F415 HydrophobicContact CG1-CG 4.48Å; V299-L416 WeakPolarHBondContact CG1-O 3Å; V299-L416 WeakPolarHBondContact CG2-O 3.41Å; V299-T418 WeakPolarHBondContact CG2-OG1 3.49Å; V299-V421 HydrophobicContact CG2-CG2 4.18Å
300I84.6Confident82.3Confident0 Ų027 Ų270%013%0.125CC..Hα-helixtrans-69.2-37-179.6-160.168000112.4W180 I181 L184 I185 G296 I297 H302 Y303 A304 F389 F415W180-I300 HydrophobicContact CE3-CG2 3.89Å; W180-I300 HydrophobicContact CH2-CG2 4.25Å; W180-I300 HydrophobicContact CZ3-CG2 3.5Å; I181-I300 HydrophobicContact CB-CG1 4.45Å; I181-I300 HydrophobicContact CD1-CG2 4.48Å; I181-I300 HydrophobicContact CG1-CB 3.9Å; I181-I300 HydrophobicContact CG1-CG1 4.17Å; I181-I300 HydrophobicContact CG1-CG2 3.62Å; I181-I300 HydrophobicContact CG2-CD1 4.29Å; I181-I300 HydrophobicContact CG2-CG1 4.36Å; L184-I300 HydrophobicContact CB-CD1 4.19Å; L184-I300 HydrophobicContact CB-CG1 3.73Å; L184-I300 HydrophobicContact CD1-CB 4.45Å; L184-I300 HydrophobicContact CD1-CG1 3.69Å; L184-I300 HydrophobicContact CD1-CG2 4.08Å; L184-I300 HydrophobicContact CG-CG1 4.39Å; I185-I300 HydrophobicContact CD1-CD1 4.36Å; I185-I300 HydrophobicContact CG1-CD1 3.7Å; G296-I300 PolarHBondContact O-N 3.38Å; I297-I300 WeakPolarHBondContact O-CG2 3.47Å; I300-H302 VanDerWaalsContact C-N 3.32Å; I300-H302 PolarHBondContact O-N 3.36Å; I300-Y303 HydrophobicContact CD1-CD1 3.81Å; I300-Y303 HydrophobicContact CD1-CE1 4.46Å; I300-Y303 PolarHBondContact O-N 3.32Å; I300-A304 VanDerWaalsContact O-CB 3.28Å; I300-A304 WeakPolarHBondContact O-CB 3.28Å; I300-A304 PolarHBondContact O-N 3.15Å; I300-F389 HydrophobicContact CD1-CZ 4.35Å; I300-F415 HydrophobicContact CD1-CE1 4.14Å
301T80.4Confident80.9Confident5 Ų530.5 Ų30.53%0.03114%0.141CC..Hα-helixtrans-62.3-44.9178.2-56.50000110W180 I297 L298 A304 T305 I357W180-T301 WeakPolarHBondContact CH2-OG1 3.28Å; W180-T301 WeakPolarHBondContact CZ3-OG1 3.41Å; I297-T301 VanDerWaalsContact O-CB 3.28Å; I297-T301 WeakPolarHBondContact O-CB 3.38Å; I297-T301 PolarHBondContact O-N 3.42Å; I297-T301 PolarHBondContact O-OG1 3.43Å; L298-T301 PolarHBondContact O-N 2.65Å; T301-A304 PolarHBondContact O-N 2.99Å; T301-T305 WeakPolarHBondContact O-CB 3.38Å; T301-T305 PolarHBondContact O-N 3.41Å; T301-T305 PolarHBondContact O-OG1 3.12Å; T301-I357 HydrophobicContact CG2-CG1 4.49Å
302H79.5Confident79.2Confident30 Ų3031.3 Ų31.314%0.13914%0.144CC..Hα-helixtrans-64.6-46.6176.9175.175.8000112L298 V299 I300 A304 T305 H306 L416 V421 D424L298-H302 WeakPolarHBondContact O-CB 3.43Å; L298-H302 PolarHBondContact O-N 2.83Å; V299-H302 PolarHBondContact O-N 3.38Å; I300-H302 VanDerWaalsContact C-N 3.32Å; I300-H302 PolarHBondContact O-N 3.36Å; H302-A304 VanDerWaalsContact C-N 3.32Å; H302-A304 PolarHBondContact O-N 3.14Å; H302-T305 WeakPolarHBondContact O-CB 3.35Å; H302-T305 PolarHBondContact O-N 3.22Å; H302-T305 VanDerWaalsContact O-N 3.16Å; H302-H306 PolarHBondContact O-N 3.34Å; H302-L416 VanDerWaalsContact NE2-CD1 3.35Å; H302-L416 WeakPolarHBondContact NE2-CD1 3.2Å; H302-V421 HydrophobicContact CB-CG1 3.63Å; H302-V421 HydrophobicContact CB-CG2 4.08Å; H302-D424 IonicContact CE1-OD2 3.23Å; H302-D424 PolarHBondContact CE1-OD2 3.47Å; H302-D424 IonicContact ND1-OD2 3.77Å; H302-D424 PolarHBondContact ND1-OD2 2.85Å
303Y80.3Confident77.5Confident39 Ų3931.1 Ų31.115%0.15315%0.148CC..Hα-helixtrans-55.8-46.8175.2169.2-105.8000112.3V299 I300 T305 H306 K307 P413 F415V299-Y303 WeakPolarHBondContact O-CB 3.2Å; V299-Y303 PolarHBondContact O-N 3.03Å; I300-Y303 HydrophobicContact CD1-CD1 3.81Å; I300-Y303 HydrophobicContact CD1-CE1 4.46Å; I300-Y303 PolarHBondContact O-N 3.32Å; Y303-T305 VanDerWaalsContact C-N 3.31Å; Y303-T305 PolarHBondContact O-N 2.81Å; Y303-H306 PolarHBondContact O-N 3.37Å; Y303-K307 HydrophobicContact CD1-CD 4.21Å; Y303-K307 HydrophobicContact CE1-CD 3.48Å; Y303-K307 VanDerWaalsContact CE1-CD 3.48Å; Y303-K307 HydrophobicContact CE1-CG 4.24Å; Y303-K307 HydrophobicContact CE2-CD 4.28Å; Y303-K307 HydrophobicContact CE2-CG 4.25Å; Y303-K307 PolarHBondContact O-N 3.41Å; Y303-K307 WeakPolarHBondContact OH-CE 3.42Å; Y303-K307 PolarHBondContact OH-NZ 3.07Å; Y303-P413 HydrophobicContact CD2-CB 4.44Å; Y303-P413 HydrophobicContact CE2-CB 3.62Å; Y303-P413 HydrophobicContact CE2-CG 3.8Å; Y303-P413 VanDerWaalsContact OH-CG 3.24Å; Y303-P413 WeakPolarHBondContact OH-CG 3.2Å; Y303-F415 AromaticContact CD1-CE1 3.74Å; Y303-F415 HydrophobicContact CD1-CE1 3.74Å; Y303-F415 HydrophobicContact CD2-CD1 4.11Å; Y303-F415 AromaticContact CD2-CE1 3.75Å; Y303-F415 HydrophobicContact CD2-CE1 3.75Å; Y303-F415 AromaticContact CE1-CE1 3.98Å; Y303-F415 HydrophobicContact CE1-CE1 3.98Å; Y303-F415 HydrophobicContact CE1-CZ 4.33Å; Y303-F415 HydrophobicContact CE2-CE1 4.04Å; Y303-F415 HydrophobicContact CE2-CZ 4.44Å; Y303-F415 HydrophobicContact CG-CD1 4.05Å; Y303-F415 AromaticContact CG-CE1 3.56Å; Y303-F415 HydrophobicContact CG-CE1 3.56Å
304A76.4Confident75.5Confident0 Ų034.9 Ų34.90%016%0.164CC..Hα-helixtrans-69-31.9-179.400000111.9L184 I300 T301 H302 F308 F354 I357L184-A304 HydrophobicContact CB-CB 4.47Å; L184-A304 HydrophobicContact CD1-CB 3.74Å; L184-A304 HydrophobicContact CD2-CB 3.86Å; L184-A304 HydrophobicContact CG-CB 4.26Å; I300-A304 VanDerWaalsContact O-CB 3.28Å; I300-A304 WeakPolarHBondContact O-CB 3.28Å; I300-A304 PolarHBondContact O-N 3.15Å; T301-A304 PolarHBondContact O-N 2.99Å; H302-A304 VanDerWaalsContact C-N 3.32Å; H302-A304 PolarHBondContact O-N 3.14Å; A304-F308 VanDerWaalsContact O-CB 3.29Å; A304-F308 WeakPolarHBondContact O-CB 3.41Å; A304-F308 PolarHBondContact O-N 3.44Å; A304-F354 HydrophobicContact CB-CD1 4.21Å; A304-F354 HydrophobicContact CB-CE1 4.02Å; A304-I357 VanDerWaalsContact C-CD1 3.42Å; A304-I357 HydrophobicContact CB-CD1 3.51Å; A304-I357 HydrophobicContact CB-CG1 4.35Å
305T73.8Confident73.1Confident31 Ų3139.1 Ų39.119%0.1919%0.192CC..Hα-helixtrans-61.4-47.4170.5-54.60000110.4T301 H302 Y303 F308 E309 L341 I357T301-T305 WeakPolarHBondContact O-CB 3.38Å; T301-T305 PolarHBondContact O-N 3.41Å; T301-T305 PolarHBondContact O-OG1 3.12Å; H302-T305 WeakPolarHBondContact O-CB 3.35Å; H302-T305 PolarHBondContact O-N 3.22Å; H302-T305 VanDerWaalsContact O-N 3.16Å; Y303-T305 VanDerWaalsContact C-N 3.31Å; Y303-T305 PolarHBondContact O-N 2.81Å; T305-F308 WeakPolarHBondContact O-CB 3.07Å; T305-F308 PolarHBondContact O-N 3.02Å; T305-E309 WeakPolarHBondContact O-CG 3.46Å; T305-E309 PolarHBondContact O-N 2.98Å; T305-L341 HydrophobicContact CG2-CD1 3.63Å; T305-I357 HydrophobicContact CG2-CG2 4.07Å; T305-I357 VanDerWaalsContact OG1-CG2 3.29Å; T305-I357 WeakPolarHBondContact OG1-CG2 3.48Å
306H73.3Confident71Confident86 Ų8644.6 Ų44.640%0.39822%0.221SC..Hα-helixtrans-63.4-46.2178.5-164.2-86.1000112.3H302 Y303 F308 E309 E310H302-H306 PolarHBondContact O-N 3.34Å; Y303-H306 PolarHBondContact O-N 3.37Å; H306-F308 PolarHBondContact O-N 3.37Å; H306-E309 WeakPolarHBondContact O-CB 3.42Å; H306-E309 PolarHBondContact O-N 3.3Å; H306-E309 VanDerWaalsContact O-N 3.11Å; H306-E310 IonicContact CE1-OE1 2.91Å; H306-E310 PolarHBondContact CE1-OE1 3.13Å; H306-E310 IonicContact ND1-OE1 2.72Å; H306-E310 PolarHBondContact ND1-OE1 3.37Å; H306-E310 WeakPolarHBondContact O-CG 3.34Å; H306-E310 PolarHBondContact O-N 2.9Å
307K71.7Confident68.7Low44 Ų4449 Ų4919%0.19125%0.252CS..Hα-helixtrans-53.8-42.8172.4-93.5-174.2151.3169.20112I185 Y303 F311I185-K307 PolarHBondContact O-NZ 3.02Å; Y303-K307 HydrophobicContact CD1-CD 4.21Å; Y303-K307 HydrophobicContact CE1-CD 3.48Å; Y303-K307 VanDerWaalsContact CE1-CD 3.48Å; Y303-K307 HydrophobicContact CE1-CG 4.24Å; Y303-K307 HydrophobicContact CE2-CD 4.28Å; Y303-K307 HydrophobicContact CE2-CG 4.25Å; Y303-K307 PolarHBondContact O-N 3.41Å; Y303-K307 WeakPolarHBondContact OH-CE 3.42Å; Y303-K307 PolarHBondContact OH-NZ 3.07Å; K307-F311 WeakPolarHBondContact O-CB 3.34Å; K307-F311 PolarHBondContact O-N 3.48Å
308F67.6Low66.6Low2 Ų252.9 Ų52.91%0.00927%0.272CS..Hα-helixtrans-67.3-39.9179.1-168.2-93.4000111.7A304 T305 H306 Y312 L341 K344 L348 F354A304-F308 VanDerWaalsContact O-CB 3.29Å; A304-F308 WeakPolarHBondContact O-CB 3.41Å; A304-F308 PolarHBondContact O-N 3.44Å; T305-F308 WeakPolarHBondContact O-CB 3.07Å; T305-F308 PolarHBondContact O-N 3.02Å; H306-F308 PolarHBondContact O-N 3.37Å; F308-Y312 AromaticContact CD1-CD2 3.96Å; F308-Y312 HydrophobicContact CD1-CD2 3.96Å; F308-Y312 AromaticContact CD2-CD2 3.7Å; F308-Y312 HydrophobicContact CD2-CD2 3.7Å; F308-Y312 AromaticContact CD2-CE2 3.67Å; F308-Y312 HydrophobicContact CD2-CE2 3.67Å; F308-Y312 AromaticContact CE1-CD2 3.63Å; F308-Y312 HydrophobicContact CE1-CD2 3.63Å; F308-Y312 HydrophobicContact CE1-CE2 4.11Å; F308-Y312 HydrophobicContact CE1-CG 4.43Å; F308-Y312 AromaticContact CE2-CD2 3.34Å; F308-Y312 HydrophobicContact CE2-CD2 3.34Å; F308-Y312 AromaticContact CE2-CE2 3.01Å; F308-Y312 HydrophobicContact CE2-CE2 3.01Å; F308-Y312 AromaticContact CG-CD2 3.99Å; F308-Y312 HydrophobicContact CG-CD2 3.99Å; F308-Y312 HydrophobicContact CG-CE2 4.41Å; F308-Y312 AromaticContact CZ-CD2 3.3Å; F308-Y312 HydrophobicContact CZ-CD2 3.3Å; F308-Y312 AromaticContact CZ-CE2 3.28Å; F308-Y312 HydrophobicContact CZ-CE2 3.28Å; F308-Y312 HydrophobicContact CZ-CG 4.29Å; F308-Y312 WeakPolarHBondContact O-CB 3.35Å; F308-Y312 PolarHBondContact O-N 3.42Å; F308-Y312 VanDerWaalsContact O-N 3.08Å; F308-L341 HydrophobicContact CD1-CD1 4.03Å; F308-L341 HydrophobicContact CD1-CG 4.32Å; F308-K344 HydrophobicContact CE1-CB 4.06Å; F308-L348 HydrophobicContact CD2-CD1 4.04Å; F308-L348 HydrophobicContact CD2-CD2 4.44Å; F308-L348 HydrophobicContact CD2-CG 4.47Å; F308-L348 HydrophobicContact CE1-CD1 4.35Å; F308-L348 HydrophobicContact CE2-CD1 3.32Å; F308-L348 HydrophobicContact CE2-CD2 3.51Å; F308-L348 HydrophobicContact CE2-CG 3.39Å; F308-L348 HydrophobicContact CZ-CD1 3.51Å; F308-L348 HydrophobicContact CZ-CD2 4.16Å; F308-L348 HydrophobicContact CZ-CG 3.55Å; F308-F354 HydrophobicContact CB-CD1 4.41Å; F308-F354 HydrophobicContact CD2-CB 4.27Å; F308-F354 HydrophobicContact CD2-CD1 4.19Å; F308-F354 HydrophobicContact CD2-CG 4.29Å
309E65.6Low64.3Low79 Ų7957.3 Ų57.337%0.36929%0.292SS..Hα-helixtrans-62.8-45.7174.3-72.6-177.3163.700112.5T305 H306 N313 L341T305-E309 WeakPolarHBondContact O-CG 3.46Å; T305-E309 PolarHBondContact O-N 2.98Å; H306-E309 WeakPolarHBondContact O-CB 3.42Å; H306-E309 PolarHBondContact O-N 3.3Å; H306-E309 VanDerWaalsContact O-N 3.11Å; E309-N313 PolarHBondContact O-N 2.96Å; E309-L341 HydrophobicContact CG-CD1 3.41Å; E309-L341 VanDerWaalsContact CG-CD1 3.41Å
310E66.7Low62.2Low109 Ų10964.2 Ų64.251%0.50933%0.329SS..Hα-helixtrans-60.2-51.2176.8-74.4176.617500111.7H306 N313H306-E310 IonicContact CE1-OE1 2.91Å; H306-E310 PolarHBondContact CE1-OE1 3.13Å; H306-E310 IonicContact ND1-OE1 2.72Å; H306-E310 PolarHBondContact ND1-OE1 3.37Å; H306-E310 WeakPolarHBondContact O-CG 3.34Å; H306-E310 PolarHBondContact O-N 2.9Å; E310-N313 PolarHBondContact O-N 3.26Å
311F63.5Low60Low73 Ų7371.2 Ų71.232%0.3237%0.367SS..Hα-helixtrans-63.5-47.3-176.7177.7-110000111.9P189 E190 K307 N313P189-F311 HydrophobicContact CB-CB 3.96Å; P189-F311 HydrophobicContact CB-CD1 3.34Å; P189-F311 HydrophobicContact CB-CE1 3.95Å; P189-F311 HydrophobicContact CB-CG 3.67Å; P189-F311 HydrophobicContact CG-CB 4.02Å; P189-F311 HydrophobicContact CG-CD1 4.32Å; P189-F311 HydrophobicContact CG-CG 4.23Å; E190-F311 HydrophobicContact CB-CE2 4.17Å; E190-F311 HydrophobicContact CB-CZ 4.18Å; E190-F311 HydrophobicContact CG-CD2 3.63Å; E190-F311 HydrophobicContact CG-CE1 4.39Å; E190-F311 HydrophobicContact CG-CE2 2.95Å; E190-F311 HydrophobicContact CG-CZ 3.38Å; E190-F311 WeakPolarHBondContact OE1-CE2 3.43Å; K307-F311 WeakPolarHBondContact O-CB 3.34Å; K307-F311 PolarHBondContact O-N 3.48Å; F311-N313 PolarHBondContact O-N 2.98Å
312Y58.2Low58.1Low18 Ų1872.4 Ų72.47%0.07137%0.373CS..THydrogen-bonded Turntrans-87.131.7-178.8-73.9-70.6000113.2P189 F308 F314 K344P189-Y312 HydrophobicContact CB-CE2 4.36Å; F308-Y312 AromaticContact CD1-CD2 3.96Å; F308-Y312 HydrophobicContact CD1-CD2 3.96Å; F308-Y312 AromaticContact CD2-CD2 3.7Å; F308-Y312 HydrophobicContact CD2-CD2 3.7Å; F308-Y312 AromaticContact CD2-CE2 3.67Å; F308-Y312 HydrophobicContact CD2-CE2 3.67Å; F308-Y312 AromaticContact CE1-CD2 3.63Å; F308-Y312 HydrophobicContact CE1-CD2 3.63Å; F308-Y312 HydrophobicContact CE1-CE2 4.11Å; F308-Y312 HydrophobicContact CE1-CG 4.43Å; F308-Y312 AromaticContact CE2-CD2 3.34Å; F308-Y312 HydrophobicContact CE2-CD2 3.34Å; F308-Y312 AromaticContact CE2-CE2 3.01Å; F308-Y312 HydrophobicContact CE2-CE2 3.01Å; F308-Y312 AromaticContact CG-CD2 3.99Å; F308-Y312 HydrophobicContact CG-CD2 3.99Å; F308-Y312 HydrophobicContact CG-CE2 4.41Å; F308-Y312 AromaticContact CZ-CD2 3.3Å; F308-Y312 HydrophobicContact CZ-CD2 3.3Å; F308-Y312 AromaticContact CZ-CE2 3.28Å; F308-Y312 HydrophobicContact CZ-CE2 3.28Å; F308-Y312 HydrophobicContact CZ-CG 4.29Å; F308-Y312 WeakPolarHBondContact O-CB 3.35Å; F308-Y312 PolarHBondContact O-N 3.42Å; F308-Y312 VanDerWaalsContact O-N 3.08Å; Y312-F314 AromaticContact CD1-CD2 3.85Å; Y312-F314 HydrophobicContact CD1-CD2 3.85Å; Y312-F314 AromaticContact CD1-CE2 3.24Å; Y312-F314 HydrophobicContact CD1-CE2 3.24Å; Y312-F314 AromaticContact CD1-CZ 3.94Å; Y312-F314 HydrophobicContact CD1-CZ 3.94Å; Y312-F314 AromaticContact CE1-CE2 3.76Å; Y312-F314 HydrophobicContact CE1-CE2 3.76Å; Y312-F314 HydrophobicContact CE1-CZ 4.19Å; Y312-F314 HydrophobicContact CG-CE2 4.33Å; Y312-F314 PolarHBondContact O-N 2.97Å; Y312-K344 WeakPolarHBondContact O-CE 3.19Å; Y312-K344 PolarHBondContact O-NZ 3.41Å
313N56.9Low56.1Low115 Ų11575.6 Ų75.662%0.61540%0.396SS*.  trans-63.661.7164.9-91.8-26.8000111.1E309 E310 F311E309-N313 PolarHBondContact O-N 2.96Å; E310-N313 PolarHBondContact O-N 3.26Å; F311-N313 PolarHBondContact O-N 2.98Å
314F48.3Very low54.1Low97 Ų9778.1 Ų78.143%0.42541%0.408SS..  trans-63.3137.3168.8-79.5-62.8000108.5Y312 I318Y312-F314 AromaticContact CD1-CD2 3.85Å; Y312-F314 HydrophobicContact CD1-CD2 3.85Å; Y312-F314 AromaticContact CD1-CE2 3.24Å; Y312-F314 HydrophobicContact CD1-CE2 3.24Å; Y312-F314 AromaticContact CD1-CZ 3.94Å; Y312-F314 HydrophobicContact CD1-CZ 3.94Å; Y312-F314 AromaticContact CE1-CE2 3.76Å; Y312-F314 HydrophobicContact CE1-CE2 3.76Å; Y312-F314 HydrophobicContact CE1-CZ 4.19Å; Y312-F314 HydrophobicContact CG-CE2 4.33Å; Y312-F314 PolarHBondContact O-N 2.97Å; F314-I318 HydrophobicContact CB-CD1 4.39Å; F314-I318 HydrophobicContact CD1-CD1 3.64Å; F314-I318 HydrophobicContact CE1-CD1 4.04Å; F314-I318 HydrophobicContact CG-CD1 4.06Å
315P42.8Very low52.1Low89 Ų8983.2 Ų83.258%0.57844%0.435SS*.  trans-53.9147.3166.8-18.729.4000109.9S317P315-S317 PolarHBondContact O-N 2.66Å
316D47.6Very low50.5Low116 Ų11683.9 Ų83.962%0.6244%0.438SS*.G310 helixtrans-582.7-178.8-58.8-44.9000114.3E319D316-E319 WeakPolarHBondContact O-CG 3.33Å
317S41.4Very low49Very low94 Ų9485.1 Ų85.166%0.65745%0.447SS*.G310 helixtrans-80.5-7.1-177.761.70000115.9P315P315-S317 PolarHBondContact O-N 2.66Å
318I43.2Very low47.5Very low80 Ų8086 Ų8641%0.4145%0.454SS..G310 helixtrans-96.82.1179-54.5177.8000111.7F314 D320 N321F314-I318 HydrophobicContact CB-CD1 4.39Å; F314-I318 HydrophobicContact CD1-CD1 3.64Å; F314-I318 HydrophobicContact CE1-CD1 4.04Å; F314-I318 HydrophobicContact CG-CD1 4.06Å; I318-D320 PolarHBondContact O-N 3.17Å; I318-D320 VanDerWaalsContact O-N 3.09Å; I318-N321 PolarHBondContact O-N 3.19Å
319E41.4Very low46.2Very low94 Ų9488.2 Ų88.244%0.43947%0.467SS..G310 helixtrans-55.7-29.4-177.2-73.6-164134.400114.6D316 N321 K343D316-E319 WeakPolarHBondContact O-CG 3.33Å; E319-N321 PolarHBondContact O-N 3.21Å; E319-K343 VanDerWaalsContact CD-NZ 3.32Å; E319-K343 IonicContact OE1-NZ 2.69Å; E319-K343 PolarHBondContact OE1-NZ 2.83Å
320D42.5Very low44.8Very low148 Ų14892.1 Ų92.179%0.79148%0.483SS*.G310 helixtrans-79.5-14-171.7-67.7-29.9000115.2I318I318-D320 PolarHBondContact O-N 3.17Å; I318-D320 VanDerWaalsContact O-N 3.09Å
321N39.3Very low43.4Very low146 Ų14691.6 Ų91.678%0.78148%0.484SS*.G310 helixtrans-113.613.7-171.6-77.8-24.4000114.7I318 E319I318-N321 PolarHBondContact O-N 3.19Å; E319-N321 PolarHBondContact O-N 3.21Å
322L40.7Very low42.9Very low31 Ų3197.6 Ų97.616%0.16251%0.509CS..  trans-89.1138.2177.7-69.8166.5000110.8F324 K343L322-F324 PolarHBondContact O-N 3.33Å; L322-K343 HydrophobicContact CD1-CB 3.68Å; L322-K343 HydrophobicContact CD1-CD 4.28Å; L322-K343 HydrophobicContact CD1-CG 4.19Å; L322-K343 WeakPolarHBondContact CD1-O 3.48Å; L322-K343 WeakPolarHBondContact CD2-O 3.3Å
323P36.5Very low42.3Very low96 Ų96104.9 Ų104.962%0.62354%0.544SS*.SBendtrans-70.3-13.6-176.725.9-32000113.7V346P323-V346 HydrophobicContact CG-CB 4.4Å; P323-V346 HydrophobicContact CG-CG1 3.51Å; P323-V346 HydrophobicContact CG-CG2 4.21Å
324F38.5Very low41.1Very low93 Ų93105 Ų10541%0.40854%0.539SS..  trans-111.695.7173-67.8-88.1000109.6L322 N326 V346L322-F324 PolarHBondContact O-N 3.33Å; F324-N326 PolarHBondContact O-N 3.05Å; F324-V346 HydrophobicContact CD2-CG2 3.51Å; F324-V346 HydrophobicContact CE2-CG2 4.02Å
325N35.7Very low40.4Very low107 Ų107103.4 Ų103.457%0.57254%0.537SS*.  trans-69.783.2157.9-78.5-10000107.5D327N325-D327 PolarHBondContact O-N 2.87Å
326N40.1Very low40Very low45 Ų45101.5 Ų101.524%0.24152%0.524CS..  trans-70.581.7160.4-71-31.2000106.5F324 P338 F431F324-N326 PolarHBondContact O-N 3.05Å; N326-P338 HydrophobicContact CB-CB 3.54Å; N326-P338 HydrophobicContact CB-CG 4.33Å; N326-P338 VanDerWaalsContact O-CG 3.23Å; N326-P338 WeakPolarHBondContact O-CG 3.11Å; N326-F431 HydrophobicContact CB-CE1 4.39Å; N326-F431 HydrophobicContact CB-CZ 4.35Å; N326-F431 VanDerWaalsContact ND2-CE1 3.26Å; N326-F431 WeakPolarHBondContact ND2-CE1 3.5Å; N326-F431 VanDerWaalsContact ND2-CZ 3.32Å; N326-F431 WeakPolarHBondContact ND2-CZ 3.48Å
327D40.7Very low39.6Very low112 Ų112104 Ų10460%0.59953%0.526SS*.  trans-62.5145.7178.5-75.3-30000109.9N325 V329N325-D327 PolarHBondContact O-N 2.87Å; D327-V329 PolarHBondContact O-N 3.41Å; D327-V329 VanDerWaalsContact O-N 3.08Å
328L39.4Very low39.5Very low63 Ų63100.8 Ų100.833%0.3350%0.503SS..  trans-57.2112.5176-174.896.2000109.9K330 T335 Y337L328-K330 HydrophobicContact CD2-CD 3.84Å; L328-K330 HydrophobicContact CD2-CG 3.53Å; L328-K330 HydrophobicContact CG-CG 4.21Å; L328-K330 PolarHBondContact O-N 3.41Å; L328-T335 HydrophobicContact CD1-CG2 3.64Å; L328-T335 HydrophobicContact CD2-CG2 3.72Å; L328-T335 HydrophobicContact CG-CG2 3.73Å; L328-Y337 HydrophobicContact CD1-CD1 3.34Å; L328-Y337 HydrophobicContact CD1-CD2 4.42Å; L328-Y337 HydrophobicContact CD1-CE1 3.53Å; L328-Y337 HydrophobicContact CD1-CG 3.84Å
329V40.9Very low39.4Very low48 Ų4898.5 Ų98.529%0.29149%0.494SS..EExtended strand (participates in β ladder)trans-76103.2174.8-1780000108.5P133 D327 T335 V336P133-V329 HydrophobicContact CG-CG2 3.75Å; D327-V329 PolarHBondContact O-N 3.41Å; D327-V329 VanDerWaalsContact O-N 3.08Å; V329-T335 WeakPolarHBondContact O-CA 3.3Å; V329-V336 HydrophobicContact CB-CB 4.3Å; V329-V336 PolarHBondContact N-O 3.32Å; V329-V336 PolarHBondContact O-N 2.94Å
330K36.4Very low39.5Very low160 Ų16099.9 Ų99.970%0.69650%0.499SS*.EExtended strand (participates in β ladder)trans-97116.3169.2-69.6-172.5-179-174.80109.6L328 T335L328-K330 HydrophobicContact CD2-CD 3.84Å; L328-K330 HydrophobicContact CD2-CG 3.53Å; L328-K330 HydrophobicContact CG-CG 4.21Å; L328-K330 PolarHBondContact O-N 3.41Å; K330-T335 HydrophobicContact CG-CG2 4.18Å
331N38.5Very low39.5Very low98 Ų9893.4 Ų93.452%0.52446%0.464SS..EExtended strand (participates in β ladder)trans-113.3165.7159.6-159.1-15.9000109H333 F334N331-H333 PolarHBondContact O-N 3.19Å; N331-F334 HydrophobicContact CB-CE1 4.39Å; N331-F334 HydrophobicContact CB-CZ 4.42Å; N331-F334 PolarHBondContact N-O 3.38Å; N331-F334 PolarHBondContact O-N 3.48Å
332K51.5Low39.8Very low199 Ų19986.9 Ų86.987%0.86543%0.43SS*.THydrogen-bonded Turntrans-54.9-23.3-178.3-75.3-175.1178.7178.80114.1
333H45.4Very low39.9Very low171 Ų17187.3 Ų87.379%0.79243%0.431SS*.THydrogen-bonded Turntrans-107.3-17-174.2-63.6-61.9000114.8N331N331-H333 PolarHBondContact O-N 3.19Å
334F32.4Very low40.5Very low117 Ų11783.8 Ų83.851%0.51341%0.406SS..EExtended strand (participates in β ladder)trans-160.8154.6-179.160.8-90.1000111.9N331 V336N331-F334 HydrophobicContact CB-CE1 4.39Å; N331-F334 HydrophobicContact CB-CZ 4.42Å; N331-F334 PolarHBondContact N-O 3.38Å; N331-F334 PolarHBondContact O-N 3.48Å; F334-V336 HydrophobicContact CD2-CG2 3.52Å; F334-V336 HydrophobicContact CE2-CG2 3.58Å
335T33.3Very low40.9Very low64 Ų6480.4 Ų80.439%0.39339%0.391SS..EExtended strand (participates in β ladder)trans-117.8118.6174.7-60.40000107.7L328 V329 K330 Y337L328-T335 HydrophobicContact CD1-CG2 3.64Å; L328-T335 HydrophobicContact CD2-CG2 3.72Å; L328-T335 HydrophobicContact CG-CG2 3.73Å; V329-T335 WeakPolarHBondContact O-CA 3.3Å; K330-T335 HydrophobicContact CG-CG2 4.18Å; T335-Y337 HydrophobicContact CG2-CD2 4.48Å; T335-Y337 HydrophobicContact CG2-CE2 4Å
336V35.4Very low41.4Very low49 Ų4978.2 Ų78.230%0.29738%0.382SS..EExtended strand (participates in β ladder)trans-98.6118.4175.1-171.90000108.6V329 F334 P430V329-V336 HydrophobicContact CB-CB 4.3Å; V329-V336 PolarHBondContact N-O 3.32Å; V329-V336 PolarHBondContact O-N 2.94Å; F334-V336 HydrophobicContact CD2-CG2 3.52Å; F334-V336 HydrophobicContact CE2-CG2 3.58Å; V336-P430 HydrophobicContact CG1-CB 3.69Å
337Y39.2Very low41.9Very low170 Ų17080.9 Ų80.967%0.66740%0.395SS*.PPolyproline II helixtrans-82.1130.2168.8-65.1-91.1000108.9L328 T335 S339L328-Y337 HydrophobicContact CD1-CD1 3.34Å; L328-Y337 HydrophobicContact CD1-CD2 4.42Å; L328-Y337 HydrophobicContact CD1-CE1 3.53Å; L328-Y337 HydrophobicContact CD1-CG 3.84Å; T335-Y337 HydrophobicContact CG2-CD2 4.48Å; T335-Y337 HydrophobicContact CG2-CE2 4Å; Y337-S339 PolarHBondContact O-N 3.48Å
338P38.6Very low42.6Very low26 Ų2676.1 Ų76.117%0.16937%0.37CS..PPolyproline II helixtrans-57.6134.5166.830.5-38.9000108.5N326 K340 F431N326-P338 HydrophobicContact CB-CB 3.54Å; N326-P338 HydrophobicContact CB-CG 4.33Å; N326-P338 VanDerWaalsContact O-CG 3.23Å; N326-P338 WeakPolarHBondContact O-CG 3.11Å; P338-K340 PolarHBondContact O-N 3.05Å; P338-F431 HydrophobicContact CB-CZ 3.87Å
339S41.3Very low43.4Very low31 Ų3176.1 Ų76.122%0.21738%0.375CS..PPolyproline II helixtrans-57.2135170.2117.20000108.4Y337 L341 A342 F431Y337-S339 PolarHBondContact O-N 3.48Å; S339-L341 PolarHBondContact O-N 3.21Å; S339-L341 VanDerWaalsContact OG-CB 3.23Å; S339-L341 WeakPolarHBondContact OG-CB 3.27Å; S339-L341 PolarHBondContact OG-N 3.29Å; S339-L341 VanDerWaalsContact OG-N 3.11Å; S339-A342 PolarHBondContact O-N 3.34Å; S339-A342 VanDerWaalsContact O-N 3.1Å; S339-A342 PolarHBondContact OG-N 2.93Å; S339-F431 VanDerWaalsContact CB-CE2 3.5Å
340K43Very low44Very low124 Ų12476.6 Ų76.654%0.53938%0.378SS..Hα-helixtrans-53.2-27.1174.5-68.9-173.2176.3-1690111P338 K344P338-K340 PolarHBondContact O-N 3.05Å; K340-K344 VanDerWaalsContact O-CD 3.26Å; K340-K344 WeakPolarHBondContact O-CD 3.04Å; K340-K344 WeakPolarHBondContact O-CG 3.43Å; K340-K344 PolarHBondContact O-N 3.33Å
341L42.9Very low44.9Very low11 Ų1174.4 Ų74.46%0.05837%0.366CS..Hα-helixtrans-68.9-41.4180-148.4118000112.6T305 F308 E309 S339 K343 K344 M345 I357T305-L341 HydrophobicContact CG2-CD1 3.63Å; F308-L341 HydrophobicContact CD1-CD1 4.03Å; F308-L341 HydrophobicContact CD1-CG 4.32Å; E309-L341 HydrophobicContact CG-CD1 3.41Å; E309-L341 VanDerWaalsContact CG-CD1 3.41Å; S339-L341 PolarHBondContact O-N 3.21Å; S339-L341 VanDerWaalsContact OG-CB 3.23Å; S339-L341 WeakPolarHBondContact OG-CB 3.27Å; S339-L341 PolarHBondContact OG-N 3.29Å; S339-L341 VanDerWaalsContact OG-N 3.11Å; L341-K343 VanDerWaalsContact C-N 3.34Å; L341-K343 PolarHBondContact O-N 3.06Å; L341-K344 CarbonylContact O-C 3.59Å; L341-K344 WeakPolarHBondContact O-CA 3.47Å; L341-K344 PolarHBondContact O-N 3.34Å; L341-M345 HydrophobicContact CD2-CE 3.36Å; L341-M345 HydrophobicContact CD2-CG 3.96Å; L341-M345 HydrophobicContact CD2-SD 4.26Å; L341-M345 WeakPolarHBondContact O-CB 3.45Å; L341-M345 VanDerWaalsContact O-CG 3.29Å; L341-M345 WeakPolarHBondContact O-CG 3.3Å; L341-M345 PolarHBondContact O-N 3.24Å; L341-I357 HydrophobicContact CD2-CG2 3.92Å
342A45.6Very low46.1Very low10 Ų1069.7 Ų69.78%0.08334%0.341CS..Hα-helixtrans-68.8-32.6179.900000113.6S339 K344 F431S339-A342 PolarHBondContact O-N 3.34Å; S339-A342 VanDerWaalsContact O-N 3.1Å; S339-A342 PolarHBondContact OG-N 2.93Å; A342-K344 VanDerWaalsContact C-N 3.26Å; A342-K344 PolarHBondContact O-N 3.14Å; A342-F431 HydrophobicContact CB-CD1 4.19Å; A342-F431 HydrophobicContact CB-CD2 3.6Å; A342-F431 HydrophobicContact CB-CE1 3.71Å; A342-F431 HydrophobicContact CB-CE2 3Å; A342-F431 HydrophobicContact CB-CG 4.16Å; A342-F431 HydrophobicContact CB-CZ 3.1Å
343K43.3Very low46.5Very low39 Ų3960.6 Ų60.617%0.1730%0.302CS..Hα-helixtrans-59.7-40.2168.5-80.3-166.6-175.3-169.90110.6E319 L322 L341E319-K343 VanDerWaalsContact CD-NZ 3.32Å; E319-K343 IonicContact OE1-NZ 2.69Å; E319-K343 PolarHBondContact OE1-NZ 2.83Å; L322-K343 HydrophobicContact CD1-CB 3.68Å; L322-K343 HydrophobicContact CD1-CD 4.28Å; L322-K343 HydrophobicContact CD1-CG 4.19Å; L322-K343 WeakPolarHBondContact CD1-O 3.48Å; L322-K343 WeakPolarHBondContact CD2-O 3.3Å; L341-K343 VanDerWaalsContact C-N 3.34Å; L341-K343 PolarHBondContact O-N 3.06Å
344K48.9Very low47.4Very low23 Ų2352.4 Ų52.410%0.126%0.264CS..Hα-helixtrans-83.9-23.8-177.3-65166.3-173.6-176.70114.5F308 Y312 K340 L341 A342 V346 L347F308-K344 HydrophobicContact CE1-CB 4.06Å; Y312-K344 WeakPolarHBondContact O-CE 3.19Å; Y312-K344 PolarHBondContact O-NZ 3.41Å; K340-K344 VanDerWaalsContact O-CD 3.26Å; K340-K344 WeakPolarHBondContact O-CD 3.04Å; K340-K344 WeakPolarHBondContact O-CG 3.43Å; K340-K344 PolarHBondContact O-N 3.33Å; L341-K344 CarbonylContact O-C 3.59Å; L341-K344 WeakPolarHBondContact O-CA 3.47Å; L341-K344 PolarHBondContact O-N 3.34Å; A342-K344 VanDerWaalsContact C-N 3.26Å; A342-K344 PolarHBondContact O-N 3.14Å; K344-V346 PolarHBondContact O-N 2.8Å; K344-V346 VanDerWaalsContact O-N 3.11Å; K344-L347 PolarHBondContact O-N 3.01Å; K344-L347 VanDerWaalsContact O-N 3.1Å
345M45.4Very low48.8Very low22 Ų2247.6 Ų47.611%0.10824%0.244CC..Hα-helixtrans-56.7-29.2-175.3-91.6178.4166.400112.9L341 L347 I357 Q358 I360L341-M345 HydrophobicContact CD2-CE 3.36Å; L341-M345 HydrophobicContact CD2-CG 3.96Å; L341-M345 HydrophobicContact CD2-SD 4.26Å; L341-M345 WeakPolarHBondContact O-CB 3.45Å; L341-M345 VanDerWaalsContact O-CG 3.29Å; L341-M345 WeakPolarHBondContact O-CG 3.3Å; L341-M345 PolarHBondContact O-N 3.24Å; M345-L347 PolarHBondContact O-N 3.45Å; M345-I357 WeakPolarHBondContact CE-O 3.21Å; M345-Q358 WeakPolarHBondContact CE-O 3.44Å; M345-Q358 HydrophobicContact CG-CB 4.36Å; M345-Q358 HydrophobicContact CG-CG 4.32Å; M345-Q358 PolarHBondContact O-NE2 2.94Å; M345-I360 HydrophobicContact CE-CB 4.45Å; M345-I360 HydrophobicContact CE-CD1 4.1Å; M345-I360 HydrophobicContact CE-CG1 3.27Å; M345-I360 HydrophobicContact SD-CD1 3.65Å; M345-I360 HydrophobicContact SD-CG1 3.5Å; M345-I360 WeakPolarHBondContact SD-CG1 3.08Å
346V47.9Very low49.9Very low60 Ų6044.7 Ų44.736%0.36423%0.227SC..THydrogen-bonded Turntrans-60-26.4179.6-172.50000112.8P323 F324 K344P323-V346 HydrophobicContact CG-CB 4.4Å; P323-V346 HydrophobicContact CG-CG1 3.51Å; P323-V346 HydrophobicContact CG-CG2 4.21Å; F324-V346 HydrophobicContact CD2-CG2 3.51Å; F324-V346 HydrophobicContact CE2-CG2 4.02Å; K344-V346 PolarHBondContact O-N 2.8Å; K344-V346 VanDerWaalsContact O-N 3.11Å
347L50.4Low50.8Low101 Ų10142.9 Ų42.953%0.52922%0.215SC..THydrogen-bonded Turntrans-86.3-17.6-169.2-63.3173.4000114.4K344 M345 S349K344-L347 PolarHBondContact O-N 3.01Å; K344-L347 VanDerWaalsContact O-N 3.1Å; M345-L347 PolarHBondContact O-N 3.45Å; L347-S349 PolarHBondContact O-N 3.03Å
348L55.1Low51.5Low13 Ų1337 Ų377%0.06819%0.194CC..SBendtrans-76.7127.9-176.2-88.3176.2000110.4F308 T350 F354 Q358F308-L348 HydrophobicContact CD2-CD1 4.04Å; F308-L348 HydrophobicContact CD2-CD2 4.44Å; F308-L348 HydrophobicContact CD2-CG 4.47Å; F308-L348 HydrophobicContact CE1-CD1 4.35Å; F308-L348 HydrophobicContact CE2-CD1 3.32Å; F308-L348 HydrophobicContact CE2-CD2 3.51Å; F308-L348 HydrophobicContact CE2-CG 3.39Å; F308-L348 HydrophobicContact CZ-CD1 3.51Å; F308-L348 HydrophobicContact CZ-CD2 4.16Å; F308-L348 HydrophobicContact CZ-CG 3.55Å; L348-T350 PolarHBondContact O-N 3.01Å; L348-F354 HydrophobicContact CD1-CB 3.65Å; L348-F354 HydrophobicContact CD2-CB 4.01Å; L348-F354 HydrophobicContact CG-CB 4.47Å; L348-Q358 HydrophobicContact CB-CG 4Å; L348-Q358 HydrophobicContact CD1-CG 3.75Å; L348-Q358 PolarHBondContact O-NE2 3.24Å
349S55.2Low52.3Low63 Ų6336.8 Ų36.844%0.44119%0.194SC..  trans-53.3135.8169.6175.60000109.3L347 R351 S352L347-S349 PolarHBondContact O-N 3.03Å; S349-R351 PolarHBondContact O-N 3.38Å; S349-R351 PolarHBondContact OG-N 3.14Å; S349-S352 WeakPolarHBondContact O-CB 3.04Å; S349-S352 PolarHBondContact O-N 2.8Å
350T55.1Low52.7Low58 Ų5837 Ų3736%0.35619%0.193SC..THydrogen-bonded Turntrans-57.6-20.9173.858.90000111.6Y209 L348 S355Y209-T350 WeakPolarHBondContact CD1-O 3.38Å; Y209-T350 VanDerWaalsContact CE1-C 3.45Å; Y209-T350 VanDerWaalsContact CE1-CB 3.45Å; Y209-T350 WeakPolarHBondContact CE1-O 2.95Å; Y209-T350 WeakPolarHBondContact CE1-OG1 3.36Å; Y209-T350 WeakPolarHBondContact OH-CB 3.27Å; Y209-T350 PolarHBondContact OH-OG1 3.16Å; Y209-T350 VanDerWaalsContact OH-OG1 3.05Å; L348-T350 PolarHBondContact O-N 3.01Å; T350-S355 PolarHBondContact O-OG 2.65Å
351R55.6Low53.5Low113 Ų11331.3 Ų31.343%0.42617%0.168SC..THydrogen-bonded Turntrans-84.7-8.5178.1-57.4-176.7-179.3175.21.5114.2S349S349-R351 PolarHBondContact O-N 3.38Å; S349-R351 PolarHBondContact OG-N 3.14Å
352S62.5Low54.8Low0 Ų030.8 Ų30.80%017%0.165CC..SBendtrans-67.9144-178.6165.10000112.2D192 Y211 S349 F354 S355D192-S352 WeakPolarHBondContact OD2-CB 2.96Å; D192-S352 PolarHBondContact OD2-OG 2.93Å; Y211-S352 WeakPolarHBondContact CE2-O 3.38Å; S349-S352 WeakPolarHBondContact O-CB 3.04Å; S349-S352 PolarHBondContact O-N 2.8Å; S352-F354 PolarHBondContact O-N 2.81Å; S352-F354 WeakPolarHBondContact OG-CB 3.47Å; S352-F354 PolarHBondContact OG-N 2.86Å; S352-S355 WeakPolarHBondContact O-CB 3.35Å; S352-S355 PolarHBondContact O-N 3.39Å; S352-S355 PolarHBondContact O-OG 3.05Å
353P60.8Low56.3Low7 Ų731.8 Ų31.85%0.04517%0.168CC..THydrogen-bonded Turntrans-46.6-36.1161.9-27.337.3000115.1W180 E183 L184 C187 Y211 S355W180-P353 PolarHBondContact NE1-O 3.03Å; E183-P353 HydrophobicContact CG-CB 4.09Å; E183-P353 HydrophobicContact CG-CG 3.74Å; E183-P353 WeakPolarHBondContact OE1-CG 3.49Å; L184-P353 HydrophobicContact CD2-CB 3.8Å; C187-P353 HydrophobicContact CB-CG 4.43Å; Y211-P353 WeakPolarHBondContact OH-CA 3.5Å; P353-S355 VanDerWaalsContact C-N 3.26Å; P353-S355 PolarHBondContact O-N 3.34Å
354F64.2Low57.9Low0 Ų030 Ų300%016%0.16CC..THydrogen-bonded Turntrans-80.2-5.4-179.9-60.5-90.1000112.5L184 C187 P189 D192 A304 F308 L348 S352 L356 I357 Q358L184-F354 HydrophobicContact CD2-CD1 4.31Å; L184-F354 HydrophobicContact CD2-CE1 4.25Å; L184-F354 HydrophobicContact CD2-CZ 4.47Å; C187-F354 HydrophobicContact CB-CE2 4.08Å; C187-F354 HydrophobicContact CB-CZ 4.46Å; P189-F354 HydrophobicContact CG-CE1 4.03Å; P189-F354 HydrophobicContact CG-CE2 4.11Å; P189-F354 HydrophobicContact CG-CZ 3.71Å; D192-F354 WeakPolarHBondContact OD2-CD2 3.47Å; A304-F354 HydrophobicContact CB-CD1 4.21Å; A304-F354 HydrophobicContact CB-CE1 4.02Å; F308-F354 HydrophobicContact CB-CD1 4.41Å; F308-F354 HydrophobicContact CD2-CB 4.27Å; F308-F354 HydrophobicContact CD2-CD1 4.19Å; F308-F354 HydrophobicContact CD2-CG 4.29Å; L348-F354 HydrophobicContact CD1-CB 3.65Å; L348-F354 HydrophobicContact CD2-CB 4.01Å; L348-F354 HydrophobicContact CG-CB 4.47Å; S352-F354 PolarHBondContact O-N 2.81Å; S352-F354 WeakPolarHBondContact OG-CB 3.47Å; S352-F354 PolarHBondContact OG-N 2.86Å; F354-L356 PolarHBondContact O-N 3.43Å; F354-I357 HydrophobicContact CB-CD1 4Å; F354-I357 HydrophobicContact CD1-CD1 3.49Å; F354-I357 VanDerWaalsContact CD1-CD1 3.49Å; F354-I357 HydrophobicContact CE1-CD1 4.43Å; F354-I357 HydrophobicContact CG-CD1 4.2Å; F354-I357 VanDerWaalsContact O-CB 3.27Å; F354-I357 WeakPolarHBondContact O-CB 3.46Å; F354-I357 PolarHBondContact O-N 3.37Å; F354-Q358 PolarHBondContact O-N 3Å
355S61Low59.2Low15 Ų1529 Ų2911%0.10516%0.156CC..Hα-helixtrans-63.1-26.917865.80000113.5Y211 T350 S352 P353 I357 Q358 A359Y211-S355 WeakPolarHBondContact CD2-OG 3.37Å; Y211-S355 VanDerWaalsContact CE2-OG 3.3Å; Y211-S355 WeakPolarHBondContact CE2-OG 3.36Å; T350-S355 PolarHBondContact O-OG 2.65Å; S352-S355 WeakPolarHBondContact O-CB 3.35Å; S352-S355 PolarHBondContact O-N 3.39Å; S352-S355 PolarHBondContact O-OG 3.05Å; P353-S355 VanDerWaalsContact C-N 3.26Å; P353-S355 PolarHBondContact O-N 3.34Å; S355-I357 PolarHBondContact O-N 3.13Å; S355-Q358 WeakPolarHBondContact O-CA 3.29Å; S355-Q358 WeakPolarHBondContact O-CB 3.42Å; S355-Q358 PolarHBondContact O-N 2.81Å; S355-A359 PolarHBondContact O-N 2.93Å
356L56.6Low61.2Low4 Ų427.9 Ų27.92%0.02115%0.15CC..Hα-helixtrans-68.2-27.1173.5-167.555.5000112.4W180 Y211 L214 F354 Q358 A359 F362W180-L356 HydrophobicContact CD2-CD2 4.17Å; W180-L356 HydrophobicContact CE3-CD2 4.11Å; W180-L356 HydrophobicContact CH2-CB 4.14Å; W180-L356 HydrophobicContact CH2-CD2 3.3Å; W180-L356 HydrophobicContact CH2-CG 4.04Å; W180-L356 HydrophobicContact CZ2-CB 3.54Å; W180-L356 HydrophobicContact CZ2-CD2 3.3Å; W180-L356 HydrophobicContact CZ2-CG 3.91Å; W180-L356 HydrophobicContact CZ3-CD2 3.71Å; Y211-L356 HydrophobicContact CD1-CB 4.21Å; Y211-L356 HydrophobicContact CG-CB 4.13Å; L214-L356 HydrophobicContact CD2-CD2 4.19Å; F354-L356 PolarHBondContact O-N 3.43Å; L356-Q358 VanDerWaalsContact C-N 3.27Å; L356-A359 HydrophobicContact CD1-CB 4.33Å; L356-A359 WeakPolarHBondContact O-CB 3.16Å; L356-A359 PolarHBondContact O-N 2.95Å; L356-A359 VanDerWaalsContact O-N 3.15Å; L356-F362 HydrophobicContact CD1-CB 3.89Å; L356-F362 HydrophobicContact CD1-CD1 3.64Å; L356-F362 HydrophobicContact CD1-CD2 3.93Å; L356-F362 HydrophobicContact CD1-CE1 4.06Å; L356-F362 HydrophobicContact CD1-CE2 4.34Å; L356-F362 HydrophobicContact CD1-CG 3.53Å; L356-F362 HydrophobicContact CD1-CZ 4.39Å; L356-F362 HydrophobicContact CD2-CD1 3.43Å; L356-F362 VanDerWaalsContact CD2-CD1 3.43Å; L356-F362 HydrophobicContact CD2-CE1 3.18Å; L356-F362 HydrophobicContact CD2-CG 4.19Å; L356-F362 HydrophobicContact CD2-CZ 3.78Å; L356-F362 HydrophobicContact CG-CB 4.3Å; L356-F362 HydrophobicContact CG-CD1 3.41Å; L356-F362 VanDerWaalsContact CG-CD1 3.41Å; L356-F362 HydrophobicContact CG-CE1 3.76Å; L356-F362 HydrophobicContact CG-CG 3.86Å; L356-F362 HydrophobicContact CG-CZ 4.48Å
357I54.7Low63Low10 Ų1025 Ų255%0.05113%0.133CC..Hα-helixtrans-69-32.4170.8-57.7157.3000109.6T301 A304 T305 L341 M345 F354 S355 A359T301-I357 HydrophobicContact CG2-CG1 4.49Å; A304-I357 VanDerWaalsContact C-CD1 3.42Å; A304-I357 HydrophobicContact CB-CD1 3.51Å; A304-I357 HydrophobicContact CB-CG1 4.35Å; T305-I357 HydrophobicContact CG2-CG2 4.07Å; T305-I357 VanDerWaalsContact OG1-CG2 3.29Å; T305-I357 WeakPolarHBondContact OG1-CG2 3.48Å; L341-I357 HydrophobicContact CD2-CG2 3.92Å; M345-I357 WeakPolarHBondContact CE-O 3.21Å; F354-I357 HydrophobicContact CB-CD1 4Å; F354-I357 HydrophobicContact CD1-CD1 3.49Å; F354-I357 VanDerWaalsContact CD1-CD1 3.49Å; F354-I357 HydrophobicContact CE1-CD1 4.43Å; F354-I357 HydrophobicContact CG-CD1 4.2Å; F354-I357 VanDerWaalsContact O-CB 3.27Å; F354-I357 WeakPolarHBondContact O-CB 3.46Å; F354-I357 PolarHBondContact O-N 3.37Å; S355-I357 PolarHBondContact O-N 3.13Å; I357-A359 PolarHBondContact O-N 3.37Å
358Q52.9Low64.6Low48 Ų4821.9 Ų21.922%0.22411%0.114CC..Hα-helixtrans-60.4-26.9171-55.6170.6-58.600112.3M345 L348 F354 S355 L356 I360M345-Q358 WeakPolarHBondContact CE-O 3.44Å; M345-Q358 HydrophobicContact CG-CB 4.36Å; M345-Q358 HydrophobicContact CG-CG 4.32Å; M345-Q358 PolarHBondContact O-NE2 2.94Å; L348-Q358 HydrophobicContact CB-CG 4Å; L348-Q358 HydrophobicContact CD1-CG 3.75Å; L348-Q358 PolarHBondContact O-NE2 3.24Å; F354-Q358 PolarHBondContact O-N 3Å; S355-Q358 WeakPolarHBondContact O-CA 3.29Å; S355-Q358 WeakPolarHBondContact O-CB 3.42Å; S355-Q358 PolarHBondContact O-N 2.81Å; L356-Q358 VanDerWaalsContact C-N 3.27Å; Q358-I360 PolarHBondContact O-N 3.5Å
359A55Low66.1Low21 Ų2121.2 Ų21.217%0.17411%0.111CC..  trans-7381.7169.900000108.9S355 L356 I357 C361 F362S355-A359 PolarHBondContact O-N 2.93Å; L356-A359 HydrophobicContact CD1-CB 4.33Å; L356-A359 WeakPolarHBondContact O-CB 3.16Å; L356-A359 PolarHBondContact O-N 2.95Å; L356-A359 VanDerWaalsContact O-N 3.15Å; I357-A359 PolarHBondContact O-N 3.37Å; A359-C361 PolarHBondContact O-N 2.89Å; A359-F362 HydrophobicContact CB-CB 4Å; A359-F362 PolarHBondContact O-N 3.47Å
360I50.3Low67.8Low36 Ų3618.2 Ų18.219%0.1859%0.09CC..THydrogen-bonded Turntrans-42-28.2172.6-66.3175.9000112I136 M345 Q358 F431 N432I136-I360 HydrophobicContact CD1-CB 4.39Å; M345-I360 HydrophobicContact CE-CB 4.45Å; M345-I360 HydrophobicContact CE-CD1 4.1Å; M345-I360 HydrophobicContact CE-CG1 3.27Å; M345-I360 HydrophobicContact SD-CD1 3.65Å; M345-I360 HydrophobicContact SD-CG1 3.5Å; M345-I360 WeakPolarHBondContact SD-CG1 3.08Å; Q358-I360 PolarHBondContact O-N 3.5Å; I360-F431 HydrophobicContact CD1-CB 3.84Å; I360-F431 HydrophobicContact CD1-CG 4.13Å; I360-F431 HydrophobicContact CG2-CB 3.7Å; I360-N432 HydrophobicContact CG2-CB 3.75Å; I360-N432 PolarHBondContact O-ND2 3.27Å
361C60.6Low69.4Low3 Ų315.6 Ų15.62%0.027%0.074CC..THydrogen-bonded Turntrans-90.1-12179.5-61.10000116.2I136 A359 K363 Q364 D365 N432I136-C361 VanDerWaalsContact CB-SG 3.6Å; I136-C361 VanDerWaalsContact CD1-SG 3.56Å; I136-C361 VanDerWaalsContact CG2-SG 3.55Å; A359-C361 PolarHBondContact O-N 2.89Å; C361-K363 PolarHBondContact O-N 2.91Å; C361-Q364 CarbonylContact O-C 3.44Å; C361-Q364 WeakPolarHBondContact O-CB 3.25Å; C361-Q364 PolarHBondContact O-N 3.01Å; C361-D365 PolarHBondContact O-N 3.49Å; C361-N432 WeakPolarHBondContact CA-ND2 3.28Å
362F70.7Confident70.8Confident0 Ų010.2 Ų10.20%05%0.053CC..Hα-helixtrans-67.8-42-173.7-174.8-118.7000112.7W180 L214 R215 V218 I297 L356 A359 Q364 D365 V366W180-F362 HydrophobicContact CZ3-CE1 4.48Å; L214-F362 HydrophobicContact CD2-CZ 4.31Å; L214-F362 HydrophobicContact CG-CZ 4.28Å; R215-F362 HydrophobicContact CB-CD2 4.23Å; R215-F362 HydrophobicContact CB-CE2 4.14Å; R215-F362 HydrophobicContact CG-CD2 3.76Å; R215-F362 HydrophobicContact CG-CE2 4.07Å; V218-F362 HydrophobicContact CB-CE2 4.15Å; V218-F362 HydrophobicContact CG1-CE2 4.31Å; V218-F362 HydrophobicContact CG2-CE2 4.03Å; V218-F362 HydrophobicContact CG2-CZ 4.14Å; I297-F362 HydrophobicContact CG2-CD1 4.39Å; I297-F362 HydrophobicContact CG2-CE1 3.32Å; I297-F362 HydrophobicContact CG2-CZ 3.69Å; L356-F362 HydrophobicContact CD1-CB 3.89Å; L356-F362 HydrophobicContact CD1-CD1 3.64Å; L356-F362 HydrophobicContact CD1-CD2 3.93Å; L356-F362 HydrophobicContact CD1-CE1 4.06Å; L356-F362 HydrophobicContact CD1-CE2 4.34Å; L356-F362 HydrophobicContact CD1-CG 3.53Å; L356-F362 HydrophobicContact CD1-CZ 4.39Å; L356-F362 HydrophobicContact CD2-CD1 3.43Å; L356-F362 VanDerWaalsContact CD2-CD1 3.43Å; L356-F362 HydrophobicContact CD2-CE1 3.18Å; L356-F362 HydrophobicContact CD2-CG 4.19Å; L356-F362 HydrophobicContact CD2-CZ 3.78Å; L356-F362 HydrophobicContact CG-CB 4.3Å; L356-F362 HydrophobicContact CG-CD1 3.41Å; L356-F362 VanDerWaalsContact CG-CD1 3.41Å; L356-F362 HydrophobicContact CG-CE1 3.76Å; L356-F362 HydrophobicContact CG-CG 3.86Å; L356-F362 HydrophobicContact CG-CZ 4.48Å; A359-F362 HydrophobicContact CB-CB 4Å; A359-F362 PolarHBondContact O-N 3.47Å; F362-Q364 VanDerWaalsContact C-N 3.27Å; F362-Q364 PolarHBondContact O-N 3.43Å; F362-D365 PolarHBondContact O-N 3.23Å; F362-D365 VanDerWaalsContact O-N 3.12Å; F362-V366 HydrophobicContact CD1-CG2 4.38Å; F362-V366 HydrophobicContact CD2-CG2 4.34Å; F362-V366 HydrophobicContact CE1-CG2 4.02Å; F362-V366 HydrophobicContact CE2-CG2 3.99Å; F362-V366 HydrophobicContact CZ-CG2 3.83Å; F362-V366 WeakPolarHBondContact O-CG2 3.31Å; F362-V366 PolarHBondContact O-N 3.41Å
363K75.6Confident72.1Confident32 Ų3210.2 Ų10.214%0.1395%0.053CC..Hα-helixtrans-57.3-43.5173.1-168.4-179.8-177.4-175.50110.7L298 C361 V366 I367 V421 D424 A425L298-K363 HydrophobicContact CD2-CG 3.88Å; C361-K363 PolarHBondContact O-N 2.91Å; K363-V366 PolarHBondContact O-N 2.93Å; K363-I367 HydrophobicContact CG-CD1 4.06Å; K363-I367 VanDerWaalsContact O-CG1 3.26Å; K363-I367 WeakPolarHBondContact O-CG1 3.48Å; K363-I367 PolarHBondContact O-N 2.94Å; K363-V421 PolarHBondContact NZ-O 2.9Å; K363-D424 IonicContact NZ-OD2 2.89Å; K363-A425 HydrophobicContact CD-CB 4.45Å
364Q76.9Confident73.4Confident1 Ų110.2 Ų10.21%0.0055%0.053CC..Hα-helixtrans-61.2-45.6174.3174.6-157.1-800111.9C361 F362 V366 I367 R368 N432 F434 C435C361-Q364 CarbonylContact O-C 3.44Å; C361-Q364 WeakPolarHBondContact O-CB 3.25Å; C361-Q364 PolarHBondContact O-N 3.01Å; F362-Q364 VanDerWaalsContact C-N 3.27Å; F362-Q364 PolarHBondContact O-N 3.43Å; Q364-V366 VanDerWaalsContact C-N 3.27Å; Q364-V366 PolarHBondContact O-N 2.64Å; Q364-I367 PolarHBondContact O-N 3.44Å; Q364-R368 WeakPolarHBondContact O-CB 3.5Å; Q364-R368 PolarHBondContact O-N 3.29Å; Q364-N432 VanDerWaalsContact CB-ND2 3.28Å; Q364-N432 WeakPolarHBondContact CB-ND2 3.45Å; Q364-N432 VanDerWaalsContact OE1-CG 3.31Å; Q364-N432 PolarHBondContact OE1-ND2 3Å; Q364-N432 PolarHBondContact OE1-OD1 2.9Å; Q364-F434 HydrophobicContact CG-CB 4.25Å; Q364-F434 VanDerWaalsContact NE2-CB 3.25Å; Q364-C435 HydrophobicContact CB-CB 3.94Å
365D77.4Confident74.4Confident1 Ų112.9 Ų12.91%0.0057%0.069CC..Hα-helixtrans-60-40.8-179.5-70.2-43.6000111M141 R215 H219 C361 F362 R368 C369M141-D365 WeakPolarHBondContact CE-OD1 3.32Å; R215-D365 IonicContact CZ-OD2 3.34Å; R215-D365 IonicContact NE-OD2 3.86Å; R215-D365 IonicContact NH2-OD2 2.97Å; R215-D365 PolarHBondContact NH2-OD2 2.92Å; H219-D365 IonicContact CE1-OD1 3.6Å; H219-D365 PolarHBondContact CE1-OD1 3.17Å; H219-D365 IonicContact CE1-OD2 3.55Å; H219-D365 IonicContact NE2-OD1 2.98Å; H219-D365 PolarHBondContact NE2-OD1 3.26Å; H219-D365 IonicContact NE2-OD2 3.95Å; H219-D365 PolarHBondContact NE2-OD2 3.46Å; C361-D365 PolarHBondContact O-N 3.49Å; F362-D365 PolarHBondContact O-N 3.23Å; F362-D365 VanDerWaalsContact O-N 3.12Å; D365-R368 IonicContact OD1-CZ 3.52Å; D365-R368 IonicContact OD1-NH2 2.67Å; D365-R368 PolarHBondContact OD1-NH2 3.42Å; D365-C369 PolarHBondContact O-N 3.04Å
366V86.4Confident75.5Confident0 Ų014.2 Ų14.20%07%0.074CC..Hα-helixtrans-69.3-48176.1179.50000111.7V218 L294 I297 L298 F362 K363 Q364 R368 C369 I370V218-V366 HydrophobicContact CG1-CG2 4.12Å; L294-V366 HydrophobicContact CB-CG1 3.94Å; L294-V366 HydrophobicContact CD2-CG1 3.91Å; L294-V366 HydrophobicContact CG-CG1 4.47Å; I297-V366 HydrophobicContact CG2-CG2 3.86Å; L298-V366 HydrophobicContact CD1-CG1 4.12Å; L298-V366 HydrophobicContact CD2-CB 3.81Å; L298-V366 HydrophobicContact CD2-CG1 3.59Å; L298-V366 HydrophobicContact CG-CB 4.28Å; L298-V366 HydrophobicContact CG-CG1 3.49Å; L298-V366 VanDerWaalsContact CG-CG1 3.49Å; F362-V366 HydrophobicContact CD1-CG2 4.38Å; F362-V366 HydrophobicContact CD2-CG2 4.34Å; F362-V366 HydrophobicContact CE1-CG2 4.02Å; F362-V366 HydrophobicContact CE2-CG2 3.99Å; F362-V366 HydrophobicContact CZ-CG2 3.83Å; F362-V366 WeakPolarHBondContact O-CG2 3.31Å; F362-V366 PolarHBondContact O-N 3.41Å; K363-V366 PolarHBondContact O-N 2.93Å; Q364-V366 VanDerWaalsContact C-N 3.27Å; Q364-V366 PolarHBondContact O-N 2.64Å; V366-R368 VanDerWaalsContact C-N 3.3Å; V366-R368 PolarHBondContact O-N 3.43Å; V366-C369 WeakPolarHBondContact O-CB 3.32Å; V366-C369 PolarHBondContact O-N 3.04Å; V366-C369 VanDerWaalsContact O-N 3.14Å; V366-I370 HydrophobicContact CG1-CD1 4.37Å; V366-I370 WeakPolarHBondContact O-CG1 3.34Å; V366-I370 PolarHBondContact O-N 3.45Å
367I86.1Confident77Confident0 Ų015.9 Ų15.90%08%0.081CC..Hα-helixtrans-60-43.4177.3-67.1171.5000110.4L298 K363 Q364 C369 I370 V371 A425 W438 A439 L442L298-I367 HydrophobicContact CD1-CG1 4.19Å; L298-I367 HydrophobicContact CD2-CG1 3.91Å; K363-I367 HydrophobicContact CG-CD1 4.06Å; K363-I367 VanDerWaalsContact O-CG1 3.26Å; K363-I367 WeakPolarHBondContact O-CG1 3.48Å; K363-I367 PolarHBondContact O-N 2.94Å; Q364-I367 PolarHBondContact O-N 3.44Å; I367-C369 VanDerWaalsContact C-N 3.33Å; I367-C369 PolarHBondContact O-N 3.45Å; I367-I370 PolarHBondContact O-N 3.2Å; I367-V371 WeakPolarHBondContact O-CG2 3.23Å; I367-V371 PolarHBondContact O-N 3.25Å; I367-A425 HydrophobicContact CD1-CB 3.84Å; I367-W438 HydrophobicContact CG2-CB 3.79Å; I367-A439 HydrophobicContact CD1-CB 4.41Å; I367-L442 HydrophobicContact CG2-CD2 4.15Å
368R83.8Confident78.4Confident34 Ų3417.5 Ų17.513%0.1289%0.092CC..Hα-helixtrans-57.8-46.6175.4-179.1-17663.1-169-14.3110.8M141 H219 F226 Q364 D365 V366 I370 V371 G372 W438M141-R368 PolarHBondContact SD-NH1 3.4Å; M141-R368 PolarHBondContact SD-NH2 2.82Å; M141-R368 VanDerWaalsContact SD-NH2 3.41Å; H219-R368 PolarHBondContact CE1-NH2 2.94Å; F226-R368 HydrophobicContact CE2-CG 3.66Å; F226-R368 WeakPolarHBondContact CE2-O 3.46Å; F226-R368 HydrophobicContact CZ-CG 3.68Å; F226-R368 WeakPolarHBondContact CZ-O 3.5Å; Q364-R368 WeakPolarHBondContact O-CB 3.5Å; Q364-R368 PolarHBondContact O-N 3.29Å; D365-R368 IonicContact OD1-CZ 3.52Å; D365-R368 IonicContact OD1-NH2 2.67Å; D365-R368 PolarHBondContact OD1-NH2 3.42Å; V366-R368 VanDerWaalsContact C-N 3.3Å; V366-R368 PolarHBondContact O-N 3.43Å; R368-I370 VanDerWaalsContact C-N 3.32Å; R368-I370 PolarHBondContact O-N 3.49Å; R368-V371 WeakPolarHBondContact O-CB 3.49Å; R368-V371 PolarHBondContact O-N 2.99Å; R368-V371 VanDerWaalsContact O-N 3.17Å; R368-G372 PolarHBondContact O-N 3.46Å; R368-W438 HydrophobicContact CB-CD2 3.92Å; R368-W438 HydrophobicContact CB-CE3 4.28Å; R368-W438 HydrophobicContact CB-CG 4.17Å; R368-W438 HydrophobicContact CG-CD2 3.89Å; R368-W438 HydrophobicContact CG-CE3 4.06Å; R368-W438 HydrophobicContact CG-CH2 3.83Å; R368-W438 HydrophobicContact CG-CZ2 3.65Å; R368-W438 HydrophobicContact CG-CZ3 4.03Å
369C87.2Confident79.9Confident0 Ų020.5 Ų20.50%011%0.106CC..Hα-helixtrans-58.1-44.3176.5-166.90000112A222 L294 D365 V366 I367 V371 G372 L373A222-C369 HydrophobicContact CB-CB 4.04Å; L294-C369 HydrophobicContact CD1-CB 4Å; L294-C369 HydrophobicContact CD2-CB 4.43Å; D365-C369 PolarHBondContact O-N 3.04Å; V366-C369 WeakPolarHBondContact O-CB 3.32Å; V366-C369 PolarHBondContact O-N 3.04Å; V366-C369 VanDerWaalsContact O-N 3.14Å; I367-C369 VanDerWaalsContact C-N 3.33Å; I367-C369 PolarHBondContact O-N 3.45Å; C369-V371 VanDerWaalsContact C-N 3.34Å; C369-V371 PolarHBondContact O-N 2.94Å; C369-G372 PolarHBondContact O-N 2.73Å; C369-L373 PolarHBondContact O-N 2.86Å
370I90.9Very high81.5Confident0 Ų019.7 Ų19.70%010%0.099CC..Hα-helixtrans-61.3-41.5175.8-64174.6000111.5L291 L294 L298 V366 I367 R368 G372 L373 I374 L384 L442L291-I370 HydrophobicContact CD1-CG1 4.25Å; L291-I370 HydrophobicContact CD1-CG2 3.92Å; L294-I370 HydrophobicContact CB-CD1 4.11Å; L294-I370 HydrophobicContact CB-CG1 3.94Å; L294-I370 HydrophobicContact CD1-CG1 3.91Å; L298-I370 HydrophobicContact CD1-CD1 3.4Å; L298-I370 HydrophobicContact CG-CD1 4.39Å; V366-I370 HydrophobicContact CG1-CD1 4.37Å; V366-I370 WeakPolarHBondContact O-CG1 3.34Å; V366-I370 PolarHBondContact O-N 3.45Å; I367-I370 PolarHBondContact O-N 3.2Å; R368-I370 VanDerWaalsContact C-N 3.32Å; R368-I370 PolarHBondContact O-N 3.49Å; I370-G372 VanDerWaalsContact C-N 3.31Å; I370-G372 PolarHBondContact O-N 2.99Å; I370-L373 PolarHBondContact O-N 2.8Å; I370-I374 HydrophobicContact CG2-CD1 4.02Å; I370-I374 HydrophobicContact CG2-CG1 4.24Å; I370-I374 WeakPolarHBondContact O-CG1 3.43Å; I370-I374 PolarHBondContact O-N 3.15Å; I370-L384 HydrophobicContact CG2-CD1 4.13Å; I370-L442 HydrophobicContact CB-CD2 4.42Å; I370-L442 HydrophobicContact CG2-CD1 3.89Å; I370-L442 HydrophobicContact CG2-CD2 3.85Å
371V88.1Confident83.2Confident3 Ų318.2 Ų18.22%0.0189%0.091CC..Hα-helixtrans-58.5-45.2175.4169.70000110.9I367 R368 C369 L373 I374 T375 W438 L441 L442 L445I367-V371 WeakPolarHBondContact O-CG2 3.23Å; I367-V371 PolarHBondContact O-N 3.25Å; R368-V371 WeakPolarHBondContact O-CB 3.49Å; R368-V371 PolarHBondContact O-N 2.99Å; R368-V371 VanDerWaalsContact O-N 3.17Å; C369-V371 VanDerWaalsContact C-N 3.34Å; C369-V371 PolarHBondContact O-N 2.94Å; V371-L373 PolarHBondContact O-N 3.35Å; V371-I374 PolarHBondContact O-N 2.78Å; V371-T375 WeakPolarHBondContact O-CB 3.44Å; V371-T375 PolarHBondContact O-N 2.82Å; V371-T375 PolarHBondContact O-OG1 3.03Å; V371-W438 HydrophobicContact CB-CE3 3.89Å; V371-W438 HydrophobicContact CB-CZ3 4.09Å; V371-W438 HydrophobicContact CG1-CE3 3.8Å; V371-W438 HydrophobicContact CG1-CZ3 3.64Å; V371-W438 HydrophobicContact CG2-CE3 3.99Å; V371-L441 HydrophobicContact CG1-CD2 3.87Å; V371-L441 HydrophobicContact CG1-CG 4.19Å; V371-L442 HydrophobicContact CG2-CB 3.6Å; V371-L442 HydrophobicContact CG2-CD1 3.91Å; V371-L442 HydrophobicContact CG2-CD2 4.45Å; V371-L442 HydrophobicContact CG2-CG 4.19Å; V371-L445 HydrophobicContact CG1-CD1 3.84Å
372G85.9Confident84.4Confident0 Ų019.7 Ų19.70%010%0.099CC..Hα-helixtrans-57-47.7174.300000112.2R368 C369 I370 T375 Q376R368-G372 PolarHBondContact O-N 3.46Å; C369-G372 PolarHBondContact O-N 2.73Å; I370-G372 VanDerWaalsContact C-N 3.31Å; I370-G372 PolarHBondContact O-N 2.99Å; G372-T375 PolarHBondContact O-N 2.89Å; G372-Q376 PolarHBondContact O-N 3.29Å; G372-Q376 VanDerWaalsContact O-N 3.14Å
373L89.2Confident85.2Confident0 Ų022 Ų220%012%0.115CC..Hα-helixtrans-63.2-45.4-179.4-71.1173.3000112.7T225 I282 A287 L290 L294 C369 I370 V371 T375 Q376 F377 L380T225-L373 HydrophobicContact CG2-CB 4.48Å; T225-L373 HydrophobicContact CG2-CD2 3.73Å; T225-L373 HydrophobicContact CG2-CG 3.89Å; I282-L373 HydrophobicContact CD1-CD2 3.85Å; A287-L373 HydrophobicContact CB-CD2 4.04Å; L290-L373 HydrophobicContact CB-CD1 4.33Å; L290-L373 HydrophobicContact CD2-CD1 3.98Å; L290-L373 HydrophobicContact CD2-CD2 4.12Å; L290-L373 HydrophobicContact CG-CD1 3.93Å; L294-L373 HydrophobicContact CD1-CD1 3.66Å; C369-L373 PolarHBondContact O-N 2.86Å; I370-L373 PolarHBondContact O-N 2.8Å; V371-L373 PolarHBondContact O-N 3.35Å; L373-T375 VanDerWaalsContact C-N 3.31Å; L373-T375 PolarHBondContact O-N 3.21Å; L373-Q376 PolarHBondContact O-N 3.28Å; L373-F377 PolarHBondContact O-N 2.97Å; L373-L380 HydrophobicContact CB-CD1 4.22Å
374I87.5Confident85.8Confident6 Ų620.4 Ų20.43%0.03111%0.108CC..Hα-helixtrans-69.8-32.8179.9-65.8-168.2000111.2I370 V371 Q376 F377 P378 L380 L384 L442 L445 L446I370-I374 HydrophobicContact CG2-CD1 4.02Å; I370-I374 HydrophobicContact CG2-CG1 4.24Å; I370-I374 WeakPolarHBondContact O-CG1 3.43Å; I370-I374 PolarHBondContact O-N 3.15Å; V371-I374 PolarHBondContact O-N 2.78Å; I374-Q376 VanDerWaalsContact C-N 3.29Å; I374-Q376 PolarHBondContact O-N 3.18Å; I374-F377 CarbonylContact O-C 3.49Å; I374-P378 VanDerWaalsContact O-CA 3.25Å; I374-P378 WeakPolarHBondContact O-CA 3.49Å; I374-P378 VanDerWaalsContact O-N 3.15Å; I374-L380 HydrophobicContact CG1-CB 4.36Å; I374-L384 HydrophobicContact CD1-CB 4.31Å; I374-L384 HydrophobicContact CD1-CD2 3.84Å; I374-L442 HydrophobicContact CD1-CD1 3.67Å; I374-L442 HydrophobicContact CG1-CD1 4.43Å; I374-L445 HydrophobicContact CG2-CB 4.38Å; I374-L446 HydrophobicContact CD1-CD2 3.85Å
375T85.8Confident86.1Confident56 Ų5620.4 Ų20.434%0.34411%0.108SC..Hα-helixtrans-63.4-38.9175.3-52.80000110.9L229 V371 G372 L373L229-T375 HydrophobicContact CD1-CG2 3.51Å; L229-T375 HydrophobicContact CD2-CG2 4.34Å; V371-T375 WeakPolarHBondContact O-CB 3.44Å; V371-T375 PolarHBondContact O-N 2.82Å; V371-T375 PolarHBondContact O-OG1 3.03Å; G372-T375 PolarHBondContact O-N 2.89Å; L373-T375 VanDerWaalsContact C-N 3.31Å; L373-T375 PolarHBondContact O-N 3.21Å
376Q83.8Confident86.5Confident43 Ų4325.1 Ų25.120%0.20113%0.133CC..Hα-helixtrans-81.3-39.2178.2-70.2-175.7-6.700114.1T225 N228 L229 G372 L373 I374 P378T225-Q376 VanDerWaalsContact O-CD 3.32Å; T225-Q376 PolarHBondContact O-NE2 3.39Å; T225-Q376 PolarHBondContact O-OE1 3.42Å; N228-Q376 VanDerWaalsContact C-NE2 3.33Å; L229-Q376 HydrophobicContact CD1-CG 3.84Å; L229-Q376 VanDerWaalsContact N-NE2 3.13Å; G372-Q376 PolarHBondContact O-N 3.29Å; G372-Q376 VanDerWaalsContact O-N 3.14Å; L373-Q376 PolarHBondContact O-N 3.28Å; I374-Q376 VanDerWaalsContact C-N 3.29Å; I374-Q376 PolarHBondContact O-N 3.18Å; Q376-P378 VanDerWaalsContact C-CD 3.48Å; Q376-P378 WeakPolarHBondContact O-CD 3.36Å
377F87.5Confident86.6Confident40 Ų4026.5 Ų26.518%0.17514%0.139CC..  trans-123.876.7-179-54.8-81.5000109.8I282 Q284 A287 L373 I374 Q379 L380I282-F377 HydrophobicContact CG2-CE2 3.71Å; I282-F377 HydrophobicContact CG2-CZ 3.98Å; I282-F377 WeakPolarHBondContact O-CZ 3.26Å; Q284-F377 HydrophobicContact CB-CD1 4.09Å; Q284-F377 HydrophobicContact CB-CE1 4.07Å; Q284-F377 HydrophobicContact CG-CD1 4.26Å; A287-F377 HydrophobicContact CB-CD2 3.54Å; A287-F377 HydrophobicContact CB-CE2 3.66Å; A287-F377 HydrophobicContact CB-CG 4.15Å; A287-F377 HydrophobicContact CB-CZ 4.34Å; L373-F377 PolarHBondContact O-N 2.97Å; I374-F377 CarbonylContact O-C 3.49Å; F377-Q379 PolarHBondContact O-N 3.24Å; F377-L380 HydrophobicContact CB-CD1 3.72Å; F377-L380 HydrophobicContact CB-CG 3.78Å; F377-L380 HydrophobicContact CD2-CD1 4.44Å; F377-L380 HydrophobicContact CG-CD1 4.41Å; F377-L380 VanDerWaalsContact O-CB 3.23Å; F377-L380 WeakPolarHBondContact O-CB 3.43Å; F377-L380 WeakPolarHBondContact O-CG 3.34Å; F377-L380 PolarHBondContact O-N 3.38Å
378P85.1Confident86.5Confident44 Ų4434.7 Ų34.729%0.28618%0.175SC..THydrogen-bonded Turntrans-56-24.1-177.8-28.335.5000114.7I374 Q376 L380 S381 Q451I374-P378 VanDerWaalsContact O-CA 3.25Å; I374-P378 WeakPolarHBondContact O-CA 3.49Å; I374-P378 VanDerWaalsContact O-N 3.15Å; Q376-P378 VanDerWaalsContact C-CD 3.48Å; Q376-P378 WeakPolarHBondContact O-CD 3.36Å; P378-L380 PolarHBondContact O-N 3.38Å; P378-S381 VanDerWaalsContact O-CB 3.24Å; P378-S381 WeakPolarHBondContact O-CB 3.38Å; P378-S381 PolarHBondContact O-N 3Å; P378-S381 VanDerWaalsContact O-N 3.08Å; P378-S381 PolarHBondContact O-OG 3.35Å; P378-Q451 HydrophobicContact CB-CG 4.29Å
379Q85.1Confident86.6Confident110 Ų11034.1 Ų34.151%0.51417%0.173SC..THydrogen-bonded Turntrans-60.3-25.7175.8-60.9178.48.900112.8F377 S381 L382F377-Q379 PolarHBondContact O-N 3.24Å; Q379-S381 PolarHBondContact O-N 3.04Å; Q379-L382 PolarHBondContact O-N 3.47Å
380L88.7Confident86.3Confident5 Ų537.4 Ų37.43%0.02619%0.191CC..Hα-helixtrans-65.5-15.8175.7-67.9-175.3000113.6A287 N288 L291 L373 I374 F377 P378 L382 S383 L384A287-L380 HydrophobicContact CB-CD1 3.91Å; N288-L380 HydrophobicContact CB-CD2 3.9Å; L291-L380 HydrophobicContact CD2-CB 3.91Å; L291-L380 HydrophobicContact CD2-CD1 4.48Å; L291-L380 HydrophobicContact CD2-CD2 4.18Å; L291-L380 HydrophobicContact CD2-CG 4.4Å; L373-L380 HydrophobicContact CB-CD1 4.22Å; I374-L380 HydrophobicContact CG1-CB 4.36Å; F377-L380 HydrophobicContact CB-CD1 3.72Å; F377-L380 HydrophobicContact CB-CG 3.78Å; F377-L380 HydrophobicContact CD2-CD1 4.44Å; F377-L380 HydrophobicContact CG-CD1 4.41Å; F377-L380 VanDerWaalsContact O-CB 3.23Å; F377-L380 WeakPolarHBondContact O-CB 3.43Å; F377-L380 WeakPolarHBondContact O-CG 3.34Å; F377-L380 PolarHBondContact O-N 3.38Å; P378-L380 PolarHBondContact O-N 3.38Å; L380-L382 PolarHBondContact O-N 3.26Å; L380-S383 WeakPolarHBondContact O-CB 3.26Å; L380-S383 PolarHBondContact O-N 2.9Å; L380-S383 VanDerWaalsContact O-N 3.13Å; L380-L384 PolarHBondContact O-N 3.33Å
381S85.9Confident85.8Confident4 Ų438.1 Ų38.13%0.02820%0.197CC..Hα-helixtrans-54.8-37.7173.356.80000112.9P378 Q379 A385 L446P378-S381 VanDerWaalsContact O-CB 3.24Å; P378-S381 WeakPolarHBondContact O-CB 3.38Å; P378-S381 PolarHBondContact O-N 3Å; P378-S381 VanDerWaalsContact O-N 3.08Å; P378-S381 PolarHBondContact O-OG 3.35Å; Q379-S381 PolarHBondContact O-N 3.04Å; S381-A385 WeakPolarHBondContact O-CB 3.41Å; S381-A385 PolarHBondContact O-N 2.48Å; S381-L446 VanDerWaalsContact CB-CD2 3.45Å
382L84.8Confident85.3Confident35 Ų3542.8 Ų42.818%0.18322%0.222CC..Hα-helixtrans-69.8-43.9176.6-17663.1000111.2Q379 L380 L384 A385 L386 H453 Q456 V457 I460Q379-L382 PolarHBondContact O-N 3.47Å; L380-L382 PolarHBondContact O-N 3.26Å; L382-L384 VanDerWaalsContact C-N 3.3Å; L382-L384 PolarHBondContact O-N 3.47Å; L382-A385 PolarHBondContact O-N 3.18Å; L382-L386 HydrophobicContact CD1-CD1 3.95Å; L382-L386 HydrophobicContact CD1-CG 4.2Å; L382-L386 HydrophobicContact CG-CD1 3.91Å; L382-L386 WeakPolarHBondContact O-CB 3.42Å; L382-L386 WeakPolarHBondContact O-CG 3.09Å; L382-L386 PolarHBondContact O-N 2.8Å; L382-H453 HydrophobicContact CD2-CB 4.47Å; L382-Q456 HydrophobicContact CD1-CB 4.48Å; L382-V457 HydrophobicContact CB-CG2 4.03Å; L382-V457 HydrophobicContact CD1-CG2 3.95Å; L382-I460 HydrophobicContact CD1-CD1 3.87Å
383S87.4Confident85Confident47 Ų4748.1 Ų48.133%0.32925%0.25SS..Hα-helixtrans-58-43.2174.6-66.10000111.8N288 L380 L386 H387N288-S383 PolarHBondContact OD1-OG 2.82Å; L380-S383 WeakPolarHBondContact O-CB 3.26Å; L380-S383 PolarHBondContact O-N 2.9Å; L380-S383 VanDerWaalsContact O-N 3.13Å; S383-L386 PolarHBondContact O-N 3.28Å; S383-H387 PolarHBondContact O-N 3.21Å
384L88.3Confident84.4Confident0 Ų050.5 Ų50.50%026%0.26CS..Hα-helixtrans-63.1-47.4176.5-175.483000111.4L291 I370 I374 L380 L382 L386 H387 T418 I422 L442 L446L291-L384 HydrophobicContact CD1-CD1 4.14Å; I370-L384 HydrophobicContact CG2-CD1 4.13Å; I374-L384 HydrophobicContact CD1-CB 4.31Å; I374-L384 HydrophobicContact CD1-CD2 3.84Å; L380-L384 PolarHBondContact O-N 3.33Å; L382-L384 VanDerWaalsContact C-N 3.3Å; L382-L384 PolarHBondContact O-N 3.47Å; L384-L386 VanDerWaalsContact C-N 3.28Å; L384-L386 PolarHBondContact O-N 2.92Å; L384-H387 WeakPolarHBondContact O-CB 3.33Å; L384-H387 PolarHBondContact O-N 2.98Å; L384-T418 HydrophobicContact CD1-CG2 3.98Å; L384-I422 HydrophobicContact CD1-CD1 4.06Å; L384-I422 HydrophobicContact CD2-CD1 3.99Å; L384-I422 HydrophobicContact CG-CD1 4.41Å; L384-L442 HydrophobicContact CD2-CD1 4.46Å; L384-L442 HydrophobicContact CD2-CD2 4.46Å; L384-L446 HydrophobicContact CD2-CD1 3.62Å; L384-L446 HydrophobicContact CD2-CD2 3.84Å; L384-L446 HydrophobicContact CD2-CG 4.27Å
385A83.7Confident83.5Confident0 Ų051.4 Ų51.40%026%0.264CS..Hα-helixtrans-62.1-37.4-178.500000112.1S381 L382 V457 I460 L461 K464S381-A385 WeakPolarHBondContact O-CB 3.41Å; S381-A385 PolarHBondContact O-N 2.48Å; L382-A385 PolarHBondContact O-N 3.18Å; A385-V457 HydrophobicContact CB-CG1 4.3Å; A385-I460 HydrophobicContact CB-CG2 4.14Å; A385-L461 HydrophobicContact CB-CD2 3.79Å; A385-L461 HydrophobicContact CB-CG 4.39Å; A385-K464 WeakPolarHBondContact O-CE 3.42Å; A385-K464 PolarHBondContact O-NZ 2.68Å
386L85Confident82.2Confident100 Ų10055 Ų5552%0.52429%0.285SS..Hα-helixtrans-83.2-13.3179.8-70.4175.2000114.3L382 S383 L384 K388 I460L382-L386 HydrophobicContact CD1-CD1 3.95Å; L382-L386 HydrophobicContact CD1-CG 4.2Å; L382-L386 HydrophobicContact CG-CD1 3.91Å; L382-L386 WeakPolarHBondContact O-CB 3.42Å; L382-L386 WeakPolarHBondContact O-CG 3.09Å; L382-L386 PolarHBondContact O-N 2.8Å; S383-L386 PolarHBondContact O-N 3.28Å; L384-L386 VanDerWaalsContact C-N 3.28Å; L384-L386 PolarHBondContact O-N 2.92Å; L386-K388 PolarHBondContact O-N 2.91Å; L386-I460 HydrophobicContact CD2-CD1 3.56Å; L386-I460 HydrophobicContact CD2-CG1 4.4Å; L386-I460 HydrophobicContact CG-CD1 4.04Å
387H88.2Confident80.9Confident30 Ų3055.9 Ų55.914%0.13931%0.306CS..  trans-57126.5-176.5-175.8-87.5000111.2C295 S383 L384 S417 T418C295-H387 VanDerWaalsContact CB-CD2 3.47Å; C295-H387 WeakPolarHBondContact CB-CD2 3.46Å; C295-H387 WeakPolarHBondContact CB-NE2 3.24Å; S383-H387 PolarHBondContact O-N 3.21Å; L384-H387 WeakPolarHBondContact O-CB 3.33Å; L384-H387 PolarHBondContact O-N 2.98Å; H387-S417 WeakPolarHBondContact O-CB 3.28Å; H387-T418 PolarHBondContact CE1-OG1 2.61Å; H387-T418 PolarHBondContact ND1-OG1 3.04Å
388K84.1Confident79.2Confident171 Ų17158.4 Ų58.474%0.74332%0.322SS*.  trans-123.5132.6169.5-70.2-172.6177.5-174.10107.6L386L386-K388 PolarHBondContact O-N 2.91Å
389F85.7Confident77.4Confident22 Ų2263.3 Ų63.310%0.09635%0.346CS..  trans-77.4129.2175.6-172.4-92.2000109.2I181 V299 I300 A391 Y394 F415I181-F389 HydrophobicContact CD1-CE2 4.23Å; I181-F389 HydrophobicContact CG2-CE2 4.43Å; I181-F389 HydrophobicContact CG2-CZ 3.81Å; V299-F389 HydrophobicContact CB-CB 4.23Å; V299-F389 HydrophobicContact CB-CD2 3.76Å; V299-F389 HydrophobicContact CB-CE2 4.4Å; V299-F389 HydrophobicContact CB-CG 4.14Å; V299-F389 HydrophobicContact CG1-CB 3.66Å; V299-F389 HydrophobicContact CG1-CD1 4.2Å; V299-F389 HydrophobicContact CG1-CD2 3.71Å; V299-F389 HydrophobicContact CG1-CE2 4.39Å; V299-F389 HydrophobicContact CG1-CG 3.59Å; V299-F389 HydrophobicContact CG2-CB 4.31Å; V299-F389 HydrophobicContact CG2-CD2 4.44Å; I300-F389 HydrophobicContact CD1-CZ 4.35Å; F389-A391 HydrophobicContact CE1-CB 4.02Å; F389-Y394 HydrophobicContact CE2-CD2 4.48Å; F389-Y394 AromaticContact CE2-CE2 3.88Å; F389-Y394 HydrophobicContact CE2-CE2 3.88Å; F389-Y394 HydrophobicContact CZ-CD2 4.12Å; F389-Y394 AromaticContact CZ-CE2 3.97Å; F389-Y394 HydrophobicContact CZ-CE2 3.97Å; F389-F415 HydrophobicContact CB-CB 3.99Å; F389-F415 HydrophobicContact CD1-CB 3.69Å; F389-F415 AromaticContact CD1-CD1 3.77Å; F389-F415 HydrophobicContact CD1-CD1 3.77Å; F389-F415 AromaticContact CD1-CD2 3.62Å; F389-F415 HydrophobicContact CD1-CD2 3.62Å; F389-F415 HydrophobicContact CD1-CE1 4.3Å; F389-F415 HydrophobicContact CD1-CE2 4.19Å; F389-F415 AromaticContact CD1-CG 3.4Å; F389-F415 HydrophobicContact CD1-CG 3.4Å; F389-F415 HydrophobicContact CD1-CZ 4.49Å; F389-F415 AromaticContact CE1-CD1 3.84Å; F389-F415 HydrophobicContact CE1-CD1 3.84Å; F389-F415 AromaticContact CE1-CD2 3.91Å; F389-F415 HydrophobicContact CE1-CD2 3.91Å; F389-F415 AromaticContact CE1-CE1 3.9Å; F389-F415 HydrophobicContact CE1-CE1 3.9Å; F389-F415 AromaticContact CE1-CE2 3.99Å; F389-F415 HydrophobicContact CE1-CE2 3.99Å; F389-F415 AromaticContact CE1-CG 3.84Å; F389-F415 HydrophobicContact CE1-CG 3.84Å; F389-F415 AromaticContact CE1-CZ 3.98Å; F389-F415 HydrophobicContact CE1-CZ 3.98Å; F389-F415 HydrophobicContact CG-CB 4.16Å; F389-F415 HydrophobicContact CG-CG 4.29Å
390D82.5Confident75.8Confident69 Ų6964.3 Ų64.337%0.36935%0.354SS..  trans-121.1108.3177176.96000107.6D392 N393 Y394D390-D392 VanDerWaalsContact C-N 3.28Å; D390-D392 PolarHBondContact O-N 3.16Å; D390-D392 WeakPolarHBondContact OD1-CB 3.48Å; D390-D392 PolarHBondContact OD1-N 2.85Å; D390-N393 WeakPolarHBondContact CB-ND2 3.27Å; D390-N393 VanDerWaalsContact CG-ND2 3.26Å; D390-N393 PolarHBondContact OD2-ND2 3.01Å; D390-Y394 WeakPolarHBondContact O-CD2 3.28Å; D390-Y394 WeakPolarHBondContact O-CE2 3.14Å
391A79.5Confident73.7Confident15 Ų1565.6 Ų65.612%0.12436%0.362CS..SBendtrans-69-28.9-177.900000111.9I185 F389 N393 Y394 M395 F415I185-A391 HydrophobicContact CD1-CB 4.29Å; F389-A391 HydrophobicContact CE1-CB 4.02Å; A391-N393 PolarHBondContact O-N 2.72Å; A391-Y394 PolarHBondContact O-N 3.45Å; A391-M395 WeakPolarHBondContact O-CG 3.35Å; A391-M395 PolarHBondContact O-N 3.19Å; A391-F415 HydrophobicContact CB-CD2 4.25Å; A391-F415 HydrophobicContact CB-CE2 3.63Å; A391-F415 HydrophobicContact CB-CZ 4.31Å
392D78.3Confident71.8Confident101 Ų10167.4 Ų67.454%0.5438%0.375SS..Hα-helixtrans-63.6-33.7-175.1-64.7-25000110.8D390 Y394 M395 V396D390-D392 VanDerWaalsContact C-N 3.28Å; D390-D392 PolarHBondContact O-N 3.16Å; D390-D392 WeakPolarHBondContact OD1-CB 3.48Å; D390-D392 PolarHBondContact OD1-N 2.85Å; D392-Y394 PolarHBondContact O-N 3.32Å; D392-Y394 VanDerWaalsContact O-N 3.08Å; D392-M395 PolarHBondContact O-N 3.2Å; D392-M395 VanDerWaalsContact O-N 3.12Å; D392-V396 WeakPolarHBondContact O-CG2 3.39Å; D392-V396 PolarHBondContact O-N 3.22Å
393N79Confident69.7Low113 Ų11372 Ų7260%0.60440%0.396SS*.Hα-helixtrans-59.9-20.9176.2-69.3-39.9000114.3D390 A391D390-N393 WeakPolarHBondContact CB-ND2 3.27Å; D390-N393 VanDerWaalsContact CG-ND2 3.26Å; D390-N393 PolarHBondContact OD2-ND2 3.01Å; A391-N393 PolarHBondContact O-N 2.72Å
394Y76.8Confident67.7Low50 Ų5077.3 Ų77.320%0.19641%0.413CS..Hα-helixtrans-102.4-11.5-179.3-59.5-80.1000113.1I181 F389 D390 A391 D392I181-Y394 HydrophobicContact CB-CD1 4.04Å; I181-Y394 HydrophobicContact CB-CE1 4.37Å; I181-Y394 HydrophobicContact CB-CG 4.19Å; I181-Y394 HydrophobicContact CD1-CD1 4.02Å; I181-Y394 HydrophobicContact CD1-CE1 3.46Å; I181-Y394 VanDerWaalsContact CD1-CE1 3.46Å; I181-Y394 HydrophobicContact CD1-CE2 4.06Å; I181-Y394 VanDerWaalsContact CD1-CZ 3.47Å; I181-Y394 HydrophobicContact CG1-CE1 4.49Å; I181-Y394 HydrophobicContact CG2-CD1 3.86Å; I181-Y394 HydrophobicContact CG2-CD2 3.7Å; I181-Y394 HydrophobicContact CG2-CE1 4.35Å; I181-Y394 HydrophobicContact CG2-CE2 4.21Å; I181-Y394 HydrophobicContact CG2-CG 3.49Å; I181-Y394 VanDerWaalsContact CG2-CG 3.49Å; F389-Y394 HydrophobicContact CE2-CD2 4.48Å; F389-Y394 AromaticContact CE2-CE2 3.88Å; F389-Y394 HydrophobicContact CE2-CE2 3.88Å; F389-Y394 HydrophobicContact CZ-CD2 4.12Å; F389-Y394 AromaticContact CZ-CE2 3.97Å; F389-Y394 HydrophobicContact CZ-CE2 3.97Å; D390-Y394 WeakPolarHBondContact O-CD2 3.28Å; D390-Y394 WeakPolarHBondContact O-CE2 3.14Å; A391-Y394 PolarHBondContact O-N 3.45Å; D392-Y394 PolarHBondContact O-N 3.32Å; D392-Y394 VanDerWaalsContact O-N 3.08Å
395M68Low65.5Low24 Ų2480.5 Ų80.512%0.11843%0.429CS..Hα-helixtrans-97.9-21-176.2-62.2-57.8-72.700112.9K182 I185 V186 A391 D392 G397 V401 L405K182-M395 HydrophobicContact CG-SD 4.45Å; I185-M395 HydrophobicContact CB-SD 4.47Å; I185-M395 HydrophobicContact CD1-SD 4.4Å; I185-M395 HydrophobicContact CG2-CE 4.43Å; I185-M395 HydrophobicContact CG2-SD 4.02Å; V186-M395 HydrophobicContact CG2-CE 4.07Å; A391-M395 WeakPolarHBondContact O-CG 3.35Å; A391-M395 PolarHBondContact O-N 3.19Å; D392-M395 PolarHBondContact O-N 3.2Å; D392-M395 VanDerWaalsContact O-N 3.12Å; M395-G397 PolarHBondContact O-N 2.88Å; M395-V401 HydrophobicContact CE-CG1 3.97Å; M395-L405 HydrophobicContact CE-CB 4.26Å; M395-L405 HydrophobicContact CE-CD1 3.74Å; M395-L405 HydrophobicContact CE-CD2 4.12Å; M395-L405 HydrophobicContact CE-CG 4.24Å
396V59Low63.6Low131 Ų13186.8 Ų86.879%0.79446%0.462SS*.THydrogen-bonded Turntrans-77.5103.9177.9-179.10000109.8D392D392-V396 WeakPolarHBondContact O-CG2 3.39Å; D392-V396 PolarHBondContact O-N 3.22Å
397G56.2Low61.5Low62 Ų6288 Ų8864%0.63947%0.469SS*.THydrogen-bonded Turntrans165.6-15.4171.500000119M395M395-G397 PolarHBondContact O-N 2.88Å
398D51.2Low59.1Low94 Ų9488.8 Ų88.850%0.50348%0.478SS..  trans-138.5121.8173.4-69.3-50.5000110.7K182 D400 V401 S402K182-D398 IonicContact NZ-OD2 3.52Å; K182-D398 PolarHBondContact NZ-OD2 3.22Å; D398-D400 PolarHBondContact O-N 3.38Å; D398-D400 VanDerWaalsContact O-N 3.17Å; D398-V401 HydrophobicContact CB-CG2 4.45Å; D398-V401 PolarHBondContact O-N 3.11Å; D398-V401 VanDerWaalsContact O-N 3.16Å; D398-S402 PolarHBondContact O-N 3.47Å; D398-S402 PolarHBondContact O-OG 2.74Å
399D48.9Very low56.8Low147 Ų14787.7 Ų87.779%0.78649%0.485SS*.Hα-helixtrans-54.7-34.3-176-67-35.3000113V401 S402 E403D399-V401 PolarHBondContact O-N 2.94Å; D399-S402 WeakPolarHBondContact CA-OG 3.45Å; D399-S402 PolarHBondContact O-OG 3.26Å; D399-E403 PolarHBondContact O-N 3.02Å
400D49.6Very low54.5Low131 Ų13191.5 Ų91.570%0.70151%0.511SS*.Hα-helixtrans-71.4-28-178.2-91-11000114.3D398D398-D400 PolarHBondContact O-N 3.38Å; D398-D400 VanDerWaalsContact O-N 3.17Å
401V46Very low52.4Low31 Ų3193.6 Ų93.619%0.18853%0.528CS..Hα-helixtrans-90-35.4-176.9-176.70000111V186 M395 D398 D399 E403 K404 L405V186-V401 HydrophobicContact CG2-CG1 3.61Å; M395-V401 HydrophobicContact CE-CG1 3.97Å; D398-V401 HydrophobicContact CB-CG2 4.45Å; D398-V401 PolarHBondContact O-N 3.11Å; D398-V401 VanDerWaalsContact O-N 3.16Å; D399-V401 PolarHBondContact O-N 2.94Å; V401-E403 PolarHBondContact O-N 2.7Å; V401-K404 PolarHBondContact O-N 3.23Å; V401-L405 PolarHBondContact O-N 2.87Å
402S44.9Very low50.7Low43 Ų4398.1 Ų98.130%0.30155%0.554SS.*Hα-helixtrans-56.9-40.7170.736.50000111.5D398 D399 K404 L405 I406D398-S402 PolarHBondContact O-N 3.47Å; D398-S402 PolarHBondContact O-OG 2.74Å; D399-S402 WeakPolarHBondContact CA-OG 3.45Å; D399-S402 PolarHBondContact O-OG 3.26Å; S402-K404 PolarHBondContact O-N 3Å; S402-L405 PolarHBondContact O-N 3.27Å; S402-I406 WeakPolarHBondContact O-CB 3.26Å; S402-I406 VanDerWaalsContact O-CD1 3.3Å; S402-I406 WeakPolarHBondContact O-CD1 3.43Å; S402-I406 WeakPolarHBondContact O-CG1 3.21Å; S402-I406 PolarHBondContact O-N 3.23Å
403E41.6Very low49.6Very low131 Ų13195.8 Ų95.861%0.61255%0.545SS*.Hα-helixtrans-66.9-37.8-178.7-131.6-178.9-164.400112.9D399 V401 L405 N407D399-E403 PolarHBondContact O-N 3.02Å; V401-E403 PolarHBondContact O-N 2.7Å; E403-L405 PolarHBondContact O-N 3Å; E403-N407 PolarHBondContact O-N 3.38Å; E403-N407 PolarHBondContact O-ND2 3.26Å
404K45.6Very low49Very low159 Ų15996 Ų9669%0.69156%0.555SS**Hα-helixtrans-65.3-36175.8-79.6-174.1177.5-177.10112.9V401 S402V401-K404 PolarHBondContact O-N 3.23Å; S402-K404 PolarHBondContact O-N 3Å
405L42Very low48.9Very low66 Ų6695.3 Ų95.335%0.34655%0.553SS.*Hα-helixtrans-86.1-32.7-178-136.7104.9000113.3I185 V186 M395 V401 S402 E403 N407 S408I185-L405 HydrophobicContact CG2-CD1 4.48Å; V186-L405 HydrophobicContact CG2-CD1 4.45Å; M395-L405 HydrophobicContact CE-CB 4.26Å; M395-L405 HydrophobicContact CE-CD1 3.74Å; M395-L405 HydrophobicContact CE-CD2 4.12Å; M395-L405 HydrophobicContact CE-CG 4.24Å; V401-L405 PolarHBondContact O-N 2.87Å; S402-L405 PolarHBondContact O-N 3.27Å; E403-L405 PolarHBondContact O-N 3Å; L405-N407 PolarHBondContact O-N 2.87Å; L405-S408 PolarHBondContact O-N 3.14Å; L405-S408 PolarHBondContact O-OG 3.23Å
406I44.1Very low49.5Very low133 Ų13397.3 Ų97.368%0.68256%0.564SS**Hα-helixtrans-56.8-32.1170.8-69.1162.2000110.3S402S402-I406 WeakPolarHBondContact O-CB 3.26Å; S402-I406 VanDerWaalsContact O-CD1 3.3Å; S402-I406 WeakPolarHBondContact O-CD1 3.43Å; S402-I406 WeakPolarHBondContact O-CG1 3.21Å; S402-I406 PolarHBondContact O-N 3.23Å
407N39.6Very low50.6Low126 Ų12691.5 Ų91.567%0.67453%0.529SS*.THydrogen-bonded Turntrans-84.2-9175.4-68.3-26.9000114.3E403 L405 T409E403-N407 PolarHBondContact O-N 3.38Å; E403-N407 PolarHBondContact O-ND2 3.26Å; L405-N407 PolarHBondContact O-N 2.87Å; N407-T409 PolarHBondContact O-N 2.97Å
408S38.8Very low52.1Low46 Ų4688.5 Ų88.532%0.32250%0.498SS..  trans-83.9111.4172.188.70000109.2L405 T410L405-S408 PolarHBondContact O-N 3.14Å; L405-S408 PolarHBondContact O-OG 3.23Å; S408-T410 PolarHBondContact O-N 3.23Å; S408-T410 VanDerWaalsContact O-N 3.14Å; S408-T410 PolarHBondContact OG-OG1 3.43Å
409T34.5Very low53.6Low148 Ų14884.2 Ų84.291%0.90848%0.475SS*.  trans-75.411.3176.540.50000113.4N407N407-T409 PolarHBondContact O-N 2.97Å
410T38Very low55.1Low102 Ų10279.5 Ų79.563%0.62645%0.448SS*.SBendtrans-77.3124.2175.836.50000110.2S408 T412S408-T410 PolarHBondContact O-N 3.23Å; S408-T410 VanDerWaalsContact O-N 3.14Å; S408-T410 PolarHBondContact OG-OG1 3.43Å; T410-T412 PolarHBondContact O-N 2.82Å
411P37.8Very low56.6Low112 Ų11273.3 Ų73.373%0.72742%0.415SS*.  trans-55.2139.817622.6-31.3000109.6P413P411-P413 WeakPolarHBondContact O-CD 3.19Å
412T45.6Very low58.4Low111 Ų11171.8 Ų71.868%0.68141%0.406SS*.  trans-41.6117.417134.50000108.6T410 S414T410-T412 PolarHBondContact O-N 2.82Å; T412-S414 PolarHBondContact O-N 3.31Å
413P54.9Low60Low52 Ų5270.9 Ų70.934%0.33840%0.398SS..  trans-54.7132.1-179.9-15.922.8000108.3Y303 P411 F415Y303-P413 HydrophobicContact CD2-CB 4.44Å; Y303-P413 HydrophobicContact CE2-CB 3.62Å; Y303-P413 HydrophobicContact CE2-CG 3.8Å; Y303-P413 VanDerWaalsContact OH-CG 3.24Å; Y303-P413 WeakPolarHBondContact OH-CG 3.2Å; P411-P413 WeakPolarHBondContact O-CD 3.19Å; P413-F415 HydrophobicContact CB-CD2 4.47Å; P413-F415 HydrophobicContact CB-CE2 4.11Å; P413-F415 HydrophobicContact CB-CZ 4.19Å; P413-F415 HydrophobicContact CG-CE2 4.1Å; P413-F415 HydrophobicContact CG-CZ 4.02Å; P413-F415 WeakPolarHBondContact O-CD2 3.21Å; P413-F415 PolarHBondContact O-N 2.97Å
414S65Low61.5Low117 Ų11767.7 Ų67.782%0.81839%0.385SS*.  trans-69.489.7171.156.90000107.9T412 L416T412-S414 PolarHBondContact O-N 3.31Å; S414-L416 PolarHBondContact O-N 3.13Å
415F75.9Confident62.8Low36 Ų3660.3 Ų60.316%0.15835%0.354CS..PPolyproline II helixtrans-62.8132.8176.4-68-84.1000109.5I185 V299 I300 Y303 F389 A391 P413I185-F415 HydrophobicContact CG1-CZ 4.38Å; V299-F415 HydrophobicContact CG1-CB 4.01Å; V299-F415 HydrophobicContact CG1-CD1 4.12Å; V299-F415 HydrophobicContact CG1-CG 4.48Å; I300-F415 HydrophobicContact CD1-CE1 4.14Å; Y303-F415 AromaticContact CD1-CE1 3.74Å; Y303-F415 HydrophobicContact CD1-CE1 3.74Å; Y303-F415 HydrophobicContact CD2-CD1 4.11Å; Y303-F415 AromaticContact CD2-CE1 3.75Å; Y303-F415 HydrophobicContact CD2-CE1 3.75Å; Y303-F415 AromaticContact CE1-CE1 3.98Å; Y303-F415 HydrophobicContact CE1-CE1 3.98Å; Y303-F415 HydrophobicContact CE1-CZ 4.33Å; Y303-F415 HydrophobicContact CE2-CE1 4.04Å; Y303-F415 HydrophobicContact CE2-CZ 4.44Å; Y303-F415 HydrophobicContact CG-CD1 4.05Å; Y303-F415 AromaticContact CG-CE1 3.56Å; Y303-F415 HydrophobicContact CG-CE1 3.56Å; F389-F415 HydrophobicContact CB-CB 3.99Å; F389-F415 HydrophobicContact CD1-CB 3.69Å; F389-F415 AromaticContact CD1-CD1 3.77Å; F389-F415 HydrophobicContact CD1-CD1 3.77Å; F389-F415 AromaticContact CD1-CD2 3.62Å; F389-F415 HydrophobicContact CD1-CD2 3.62Å; F389-F415 HydrophobicContact CD1-CE1 4.3Å; F389-F415 HydrophobicContact CD1-CE2 4.19Å; F389-F415 AromaticContact CD1-CG 3.4Å; F389-F415 HydrophobicContact CD1-CG 3.4Å; F389-F415 HydrophobicContact CD1-CZ 4.49Å; F389-F415 AromaticContact CE1-CD1 3.84Å; F389-F415 HydrophobicContact CE1-CD1 3.84Å; F389-F415 AromaticContact CE1-CD2 3.91Å; F389-F415 HydrophobicContact CE1-CD2 3.91Å; F389-F415 AromaticContact CE1-CE1 3.9Å; F389-F415 HydrophobicContact CE1-CE1 3.9Å; F389-F415 AromaticContact CE1-CE2 3.99Å; F389-F415 HydrophobicContact CE1-CE2 3.99Å; F389-F415 AromaticContact CE1-CG 3.84Å; F389-F415 HydrophobicContact CE1-CG 3.84Å; F389-F415 AromaticContact CE1-CZ 3.98Å; F389-F415 HydrophobicContact CE1-CZ 3.98Å; F389-F415 HydrophobicContact CG-CB 4.16Å; F389-F415 HydrophobicContact CG-CG 4.29Å; A391-F415 HydrophobicContact CB-CD2 4.25Å; A391-F415 HydrophobicContact CB-CE2 3.63Å; A391-F415 HydrophobicContact CB-CZ 4.31Å; P413-F415 HydrophobicContact CB-CD2 4.47Å; P413-F415 HydrophobicContact CB-CE2 4.11Å; P413-F415 HydrophobicContact CB-CZ 4.19Å; P413-F415 HydrophobicContact CG-CE2 4.1Å; P413-F415 HydrophobicContact CG-CZ 4.02Å; P413-F415 WeakPolarHBondContact O-CD2 3.21Å; P413-F415 PolarHBondContact O-N 2.97Å
416L79.9Confident64.1Low66 Ų6658.8 Ų58.835%0.34635%0.347SS..PPolyproline II helixtrans-61.3149.7171.3-67.4-175.2000110.4V299 H302 S414 E420 V421V299-L416 WeakPolarHBondContact CG1-O 3Å; V299-L416 WeakPolarHBondContact CG2-O 3.41Å; H302-L416 VanDerWaalsContact NE2-CD1 3.35Å; H302-L416 WeakPolarHBondContact NE2-CD1 3.2Å; S414-L416 PolarHBondContact O-N 3.13Å; L416-E420 HydrophobicContact CB-CB 4.09Å; L416-E420 HydrophobicContact CD1-CB 4.3Å; L416-E420 HydrophobicContact CD2-CB 4.28Å; L416-E420 HydrophobicContact CG-CB 4.47Å; L416-V421 HydrophobicContact CB-CG2 3.8Å; L416-V421 HydrophobicContact CD1-CG2 4.31Å
417S83.3Confident64.9Low8 Ų858.2 Ų58.26%0.05635%0.345CS..PPolyproline II helixtrans-68.7155.416571.60000110.6H387 F419 E420 V421 K464H387-S417 WeakPolarHBondContact O-CB 3.28Å; S417-F419 PolarHBondContact O-N 3.3Å; S417-F419 VanDerWaalsContact O-N 3.17Å; S417-E420 WeakPolarHBondContact CA-OE2 3.49Å; S417-E420 VanDerWaalsContact CB-OE2 3.23Å; S417-E420 WeakPolarHBondContact CB-OE2 3.42Å; S417-E420 PolarHBondContact N-OE2 2.91Å; S417-E420 WeakPolarHBondContact O-CB 3.48Å; S417-E420 PolarHBondContact O-N 3.44Å; S417-E420 VanDerWaalsContact OG-CD 3.27Å; S417-E420 WeakPolarHBondContact OG-CG 3.48Å; S417-E420 PolarHBondContact OG-OE2 2.99Å; S417-V421 PolarHBondContact O-N 3.37Å; S417-K464 VanDerWaalsContact CB-NZ 3.28Å; S417-K464 PolarHBondContact OG-NZ 3.07Å
418T86.1Confident65.5Low0 Ų062 Ų620%035%0.35CS..Hα-helixtrans-58.7-35-179.3-55.10000112.3C295 L298 V299 L384 H387 V421 I422C295-T418 HydrophobicContact CB-CG2 4.01Å; C295-T418 WeakPolarHBondContact CB-OG1 3.33Å; C295-T418 PolarHBondContact O-OG1 3.08Å; L298-T418 HydrophobicContact CB-CG2 4.34Å; L298-T418 HydrophobicContact CD1-CG2 3.79Å; V299-T418 WeakPolarHBondContact CG2-OG1 3.49Å; L384-T418 HydrophobicContact CD1-CG2 3.98Å; H387-T418 PolarHBondContact CE1-OG1 2.61Å; H387-T418 PolarHBondContact ND1-OG1 3.04Å; T418-V421 PolarHBondContact O-N 3.09Å; T418-I422 HydrophobicContact CG2-CD1 3.98Å; T418-I422 HydrophobicContact CG2-CG1 4.49Å; T418-I422 WeakPolarHBondContact O-CD1 3.5Å; T418-I422 VanDerWaalsContact O-CG1 3.26Å; T418-I422 WeakPolarHBondContact O-CG1 3.34Å; T418-I422 PolarHBondContact O-N 3.45Å
419F83.5Confident66Low3 Ų361.9 Ų61.91%0.01335%0.346CS..Hα-helixtrans-64.4-40.5175.6-177.8-110000112.6S417 V421 I422 L423 I443 L446 L461 K464 L465S417-F419 PolarHBondContact O-N 3.3Å; S417-F419 VanDerWaalsContact O-N 3.17Å; F419-V421 VanDerWaalsContact C-N 3.31Å; F419-V421 PolarHBondContact O-N 3.24Å; F419-I422 PolarHBondContact O-N 2.91Å; F419-L423 HydrophobicContact CD1-CD1 3.78Å; F419-L423 HydrophobicContact CD1-CG 4.31Å; F419-L423 HydrophobicContact CE1-CD1 3.31Å; F419-L423 HydrophobicContact CE1-CD2 4.4Å; F419-L423 HydrophobicContact CE1-CG 3.9Å; F419-L423 HydrophobicContact CE2-CG 4.34Å; F419-L423 HydrophobicContact CZ-CD1 3.79Å; F419-L423 HydrophobicContact CZ-CD2 4.02Å; F419-L423 HydrophobicContact CZ-CG 3.89Å; F419-L423 WeakPolarHBondContact O-CG 3.46Å; F419-L423 PolarHBondContact O-N 3.05Å; F419-I443 HydrophobicContact CE2-CG1 4.37Å; F419-L446 HydrophobicContact CD2-CD1 4.18Å; F419-L446 HydrophobicContact CE2-CD1 4.1Å; F419-L461 HydrophobicContact CB-CD2 4.42Å; F419-L461 HydrophobicContact CD1-CD2 3.69Å; F419-L461 HydrophobicContact CD2-CD2 3.55Å; F419-L461 HydrophobicContact CE1-CB 4.22Å; F419-L461 HydrophobicContact CE1-CD2 3.7Å; F419-L461 HydrophobicContact CE1-CG 4.45Å; F419-L461 HydrophobicContact CE2-CD1 4.09Å; F419-L461 HydrophobicContact CE2-CD2 3.59Å; F419-L461 HydrophobicContact CE2-CG 4.33Å; F419-L461 HydrophobicContact CG-CD2 3.6Å; F419-L461 HydrophobicContact CZ-CB 4.16Å; F419-L461 HydrophobicContact CZ-CD1 4.21Å; F419-L461 HydrophobicContact CZ-CD2 3.67Å; F419-L461 HydrophobicContact CZ-CG 4.2Å; F419-K464 HydrophobicContact CB-CD 4.37Å; F419-K464 HydrophobicContact CD1-CB 4.19Å; F419-K464 HydrophobicContact CD1-CD 3.98Å; F419-K464 HydrophobicContact CE1-CB 4.45Å; F419-L465 HydrophobicContact CE1-CG 4.33Å
420E81Confident66.6Low49 Ų4957.3 Ų57.323%0.22932%0.319CS..Hα-helixtrans-65.2-37.7175-71.3156149.300111.1L416 S417 I422 L423 D424L416-E420 HydrophobicContact CB-CB 4.09Å; L416-E420 HydrophobicContact CD1-CB 4.3Å; L416-E420 HydrophobicContact CD2-CB 4.28Å; L416-E420 HydrophobicContact CG-CB 4.47Å; S417-E420 WeakPolarHBondContact CA-OE2 3.49Å; S417-E420 VanDerWaalsContact CB-OE2 3.23Å; S417-E420 WeakPolarHBondContact CB-OE2 3.42Å; S417-E420 PolarHBondContact N-OE2 2.91Å; S417-E420 WeakPolarHBondContact O-CB 3.48Å; S417-E420 PolarHBondContact O-N 3.44Å; S417-E420 VanDerWaalsContact OG-CD 3.27Å; S417-E420 WeakPolarHBondContact OG-CG 3.48Å; S417-E420 PolarHBondContact OG-OE2 2.99Å; E420-I422 VanDerWaalsContact C-N 3.32Å; E420-I422 PolarHBondContact O-N 2.96Å; E420-L423 PolarHBondContact O-N 2.82Å; E420-D424 WeakPolarHBondContact O-CB 3.35Å; E420-D424 PolarHBondContact O-N 2.97Å
421V81.3Confident67Low0 Ų054.6 Ų54.60%030%0.298CS..Hα-helixtrans-64.6-35.6174176.10000112.4L298 V299 H302 K363 L416 S417 T418 F419 A425L298-V421 HydrophobicContact CB-CG1 4.32Å; V299-V421 HydrophobicContact CG2-CG2 4.18Å; H302-V421 HydrophobicContact CB-CG1 3.63Å; H302-V421 HydrophobicContact CB-CG2 4.08Å; K363-V421 PolarHBondContact NZ-O 2.9Å; L416-V421 HydrophobicContact CB-CG2 3.8Å; L416-V421 HydrophobicContact CD1-CG2 4.31Å; S417-V421 PolarHBondContact O-N 3.37Å; T418-V421 PolarHBondContact O-N 3.09Å; F419-V421 VanDerWaalsContact C-N 3.31Å; F419-V421 PolarHBondContact O-N 3.24Å; V421-A425 WeakPolarHBondContact O-CB 3.29Å; V421-A425 PolarHBondContact O-N 3.21Å
422I82.9Confident67.8Low0 Ų049.5 Ų49.50%027%0.265CS..Hα-helixtrans-69.2-41.9174.6-69.3159.2000110.4L298 L384 T418 F419 E420 A425 T426 A439 L442 I443L298-I422 HydrophobicContact CD1-CG1 4.37Å; L384-I422 HydrophobicContact CD1-CD1 4.06Å; L384-I422 HydrophobicContact CD2-CD1 3.99Å; L384-I422 HydrophobicContact CG-CD1 4.41Å; T418-I422 HydrophobicContact CG2-CD1 3.98Å; T418-I422 HydrophobicContact CG2-CG1 4.49Å; T418-I422 WeakPolarHBondContact O-CD1 3.5Å; T418-I422 VanDerWaalsContact O-CG1 3.26Å; T418-I422 WeakPolarHBondContact O-CG1 3.34Å; T418-I422 PolarHBondContact O-N 3.45Å; F419-I422 PolarHBondContact O-N 2.91Å; E420-I422 VanDerWaalsContact C-N 3.32Å; E420-I422 PolarHBondContact O-N 2.96Å; I422-A425 VanDerWaalsContact O-CB 3.29Å; I422-A425 WeakPolarHBondContact O-CB 3.28Å; I422-A425 PolarHBondContact O-N 3.16Å; I422-T426 PolarHBondContact O-N 3.38Å; I422-A439 HydrophobicContact CG2-CB 4.21Å; I422-L442 HydrophobicContact CD1-CD2 3.52Å; I422-L442 HydrophobicContact CG1-CD2 4.07Å; I422-L442 HydrophobicContact CG2-CD2 4.12Å; I422-I443 HydrophobicContact CG2-CD1 4.23Å; I422-I443 HydrophobicContact CG2-CG1 4.05Å
423L78.1Confident68.4Low24 Ų2446.3 Ų46.313%0.12625%0.247CC..Hα-helixtrans-63.3-43174.2-74.6173.7000111.7F419 E420 A425 T426 I443 L465 L468F419-L423 HydrophobicContact CD1-CD1 3.78Å; F419-L423 HydrophobicContact CD1-CG 4.31Å; F419-L423 HydrophobicContact CE1-CD1 3.31Å; F419-L423 HydrophobicContact CE1-CD2 4.4Å; F419-L423 HydrophobicContact CE1-CG 3.9Å; F419-L423 HydrophobicContact CE2-CG 4.34Å; F419-L423 HydrophobicContact CZ-CD1 3.79Å; F419-L423 HydrophobicContact CZ-CD2 4.02Å; F419-L423 HydrophobicContact CZ-CG 3.89Å; F419-L423 WeakPolarHBondContact O-CG 3.46Å; F419-L423 PolarHBondContact O-N 3.05Å; E420-L423 PolarHBondContact O-N 2.82Å; L423-A425 VanDerWaalsContact C-N 3.26Å; L423-A425 PolarHBondContact O-N 3.26Å; L423-T426 WeakPolarHBondContact O-CB 3.42Å; L423-T426 PolarHBondContact O-N 3.14Å; L423-T426 PolarHBondContact O-OG1 3.46Å; L423-I443 HydrophobicContact CD2-CD1 3.81Å; L423-L465 HydrophobicContact CD1-CD2 3.63Å; L423-L465 HydrophobicContact CD1-CG 4.47Å; L423-L465 HydrophobicContact CD2-CD2 4.09Å; L423-L468 HydrophobicContact CD1-CD1 3.41Å; L423-L468 VanDerWaalsContact CD1-CD1 3.41Å
424D73.1Confident68.9Low63 Ų6345.4 Ų45.434%0.33724%0.238SC..Hα-helixtrans-60.9-38.6173.9179.167.4000111.4H302 K363 E420 T426 N427H302-D424 IonicContact CE1-OD2 3.23Å; H302-D424 PolarHBondContact CE1-OD2 3.47Å; H302-D424 IonicContact ND1-OD2 3.77Å; H302-D424 PolarHBondContact ND1-OD2 2.85Å; K363-D424 IonicContact NZ-OD2 2.89Å; E420-D424 WeakPolarHBondContact O-CB 3.35Å; E420-D424 PolarHBondContact O-N 2.97Å; D424-T426 PolarHBondContact O-N 3.23Å; D424-T426 VanDerWaalsContact O-N 3.13Å; D424-N427 PolarHBondContact O-N 3.33Å
425A73.9Confident69.2Low5 Ų539.9 Ų39.94%0.04120%0.199CC..Hα-helixtrans-60.6-21.9173.600000113.7K363 I367 V421 I422 L423 N427 V436 A439K363-A425 HydrophobicContact CD-CB 4.45Å; I367-A425 HydrophobicContact CD1-CB 3.84Å; V421-A425 WeakPolarHBondContact O-CB 3.29Å; V421-A425 PolarHBondContact O-N 3.21Å; I422-A425 VanDerWaalsContact O-CB 3.29Å; I422-A425 WeakPolarHBondContact O-CB 3.28Å; I422-A425 PolarHBondContact O-N 3.16Å; L423-A425 VanDerWaalsContact C-N 3.26Å; L423-A425 PolarHBondContact O-N 3.26Å; A425-N427 VanDerWaalsContact C-N 3.34Å; A425-V436 WeakPolarHBondContact O-CG2 3.24Å; A425-A439 HydrophobicContact CB-CB 4.09Å
426T69.3Low69Low33 Ų3339.6 Ų39.620%0.20220%0.2CC..Hα-helixtrans-77.1-22.3173.367.70000113.2I422 L423 D424 A439 I440 I443I422-T426 PolarHBondContact O-N 3.38Å; L423-T426 WeakPolarHBondContact O-CB 3.42Å; L423-T426 PolarHBondContact O-N 3.14Å; L423-T426 PolarHBondContact O-OG1 3.46Å; D424-T426 PolarHBondContact O-N 3.23Å; D424-T426 VanDerWaalsContact O-N 3.13Å; T426-A439 HydrophobicContact CG2-CB 3.71Å; T426-I440 HydrophobicContact CG2-CG1 4.02Å; T426-I443 HydrophobicContact CG2-CD1 3.53Å
427N61.6Low68.9Low121 Ų12140.7 Ų40.765%0.64720%0.204SC*.Hα-helixtrans-92.1-29.5-166.1-79.1-16.7000114.8D424 A425D424-N427 PolarHBondContact O-N 3.33Å; A425-N427 VanDerWaalsContact C-N 3.34Å
428R50.8Low68.7Low206 Ų20643.1 Ų43.178%0.77721%0.212SC*.  trans-15879.6-168.7-65.7-174.1177.3174.1-0.6114.6
429D49.5Very low68.5Low44 Ų4443.1 Ų43.124%0.23521%0.212CC..  trans-134.897.2159.3-160.5-22.6000112.2F431 N432D429-F431 PolarHBondContact O-N 3.44Å; D429-F431 PolarHBondContact OD1-N 3.37Å; D429-N432 HydrophobicContact CB-CB 4.41Å; D429-N432 PolarHBondContact OD1-N 3.06Å; D429-N432 WeakPolarHBondContact OD2-CB 3.43Å
430P47.5Very low68.3Low51 Ų5146.1 Ų46.133%0.33123%0.227SC..SBendtrans-70-1717828-32.2000113.1V336V336-P430 HydrophobicContact CG1-CB 3.69Å
431F47.1Very low68.4Low46 Ų4647.2 Ų47.220%0.20223%0.234CC..SBendtrans-97.7-21.6-179.3-62.9-74.2000113N326 P338 S339 A342 I360 D429N326-F431 HydrophobicContact CB-CE1 4.39Å; N326-F431 HydrophobicContact CB-CZ 4.35Å; N326-F431 VanDerWaalsContact ND2-CE1 3.26Å; N326-F431 WeakPolarHBondContact ND2-CE1 3.5Å; N326-F431 VanDerWaalsContact ND2-CZ 3.32Å; N326-F431 WeakPolarHBondContact ND2-CZ 3.48Å; P338-F431 HydrophobicContact CB-CZ 3.87Å; S339-F431 VanDerWaalsContact CB-CE2 3.5Å; A342-F431 HydrophobicContact CB-CD1 4.19Å; A342-F431 HydrophobicContact CB-CD2 3.6Å; A342-F431 HydrophobicContact CB-CE1 3.71Å; A342-F431 HydrophobicContact CB-CE2 3Å; A342-F431 HydrophobicContact CB-CG 4.16Å; A342-F431 HydrophobicContact CB-CZ 3.1Å; I360-F431 HydrophobicContact CD1-CB 3.84Å; I360-F431 HydrophobicContact CD1-CG 4.13Å; I360-F431 HydrophobicContact CG2-CB 3.7Å; D429-F431 PolarHBondContact O-N 3.44Å; D429-F431 PolarHBondContact OD1-N 3.37Å
432N54.5Low68.6Low5 Ų547.2 Ų47.23%0.02723%0.234CC..  trans-129.374.1179.7-158.6-16000113.5I360 C361 Q364 D429 F434 C435I360-N432 HydrophobicContact CG2-CB 3.75Å; I360-N432 PolarHBondContact O-ND2 3.27Å; C361-N432 WeakPolarHBondContact CA-ND2 3.28Å; Q364-N432 VanDerWaalsContact CB-ND2 3.28Å; Q364-N432 WeakPolarHBondContact CB-ND2 3.45Å; Q364-N432 VanDerWaalsContact OE1-CG 3.31Å; Q364-N432 PolarHBondContact OE1-ND2 3Å; Q364-N432 PolarHBondContact OE1-OD1 2.9Å; D429-N432 HydrophobicContact CB-CB 4.41Å; D429-N432 PolarHBondContact OD1-N 3.06Å; D429-N432 WeakPolarHBondContact OD2-CB 3.43Å; N432-F434 PolarHBondContact O-N 3.11Å; N432-F434 VanDerWaalsContact O-N 3.08Å; N432-F434 WeakPolarHBondContact OD1-CB 3.33Å; N432-F434 PolarHBondContact OD1-N 2.96Å; N432-C435 HydrophobicContact CB-CB 3.96Å; N432-C435 VanDerWaalsContact O-CB 3.28Å; N432-C435 WeakPolarHBondContact O-CB 3.49Å; N432-C435 PolarHBondContact O-N 3.4Å; N432-C435 PolarHBondContact OD1-N 3.17Å; N432-C435 VanDerWaalsContact OD1-N 3.09Å
433S58Low68.5Low43 Ų4348.9 Ų48.930%0.30124%0.243SC..Hα-helixtrans-55.6-28.2173.165.70000112.8V436 E437S433-V436 WeakPolarHBondContact O-CB 3.48Å; S433-V436 PolarHBondContact O-N 3.29Å; S433-E437 WeakPolarHBondContact O-CG 2.89Å; S433-E437 PolarHBondContact O-N 3.02Å; S433-E437 VanDerWaalsContact O-N 3.14Å
434F64.6Low68.7Low33 Ų3355.1 Ų55.115%0.14527%0.265CS..Hα-helixtrans-69.9-33.2177.6-63.6-64.9000112.6R135 Q364 N432 V436 E437 W438R135-F434 HydrophobicContact CB-CE2 3.81Å; R135-F434 HydrophobicContact CG-CE2 4.24Å; Q364-F434 HydrophobicContact CG-CB 4.25Å; Q364-F434 VanDerWaalsContact NE2-CB 3.25Å; N432-F434 PolarHBondContact O-N 3.11Å; N432-F434 VanDerWaalsContact O-N 3.08Å; N432-F434 WeakPolarHBondContact OD1-CB 3.33Å; N432-F434 PolarHBondContact OD1-N 2.96Å; F434-V436 VanDerWaalsContact C-N 3.26Å; F434-V436 PolarHBondContact O-N 2.74Å; F434-E437 PolarHBondContact O-N 2.79Å; F434-W438 PolarHBondContact O-N 3.09Å
435C70.6Confident69Low1 Ų154.7 Ų54.71%0.00726%0.262CS..Hα-helixtrans-56.2-45.9174.1-168.10000110.5Q364 N432 W438 A439Q364-C435 HydrophobicContact CB-CB 3.94Å; N432-C435 HydrophobicContact CB-CB 3.96Å; N432-C435 VanDerWaalsContact O-CB 3.28Å; N432-C435 WeakPolarHBondContact O-CB 3.49Å; N432-C435 PolarHBondContact O-N 3.4Å; N432-C435 PolarHBondContact OD1-N 3.17Å; N432-C435 VanDerWaalsContact OD1-N 3.09Å; C435-W438 PolarHBondContact O-N 3.42Å; C435-A439 WeakPolarHBondContact O-CB 3.36Å; C435-A439 PolarHBondContact O-N 3.34Å
436V73.1Confident69.3Low30 Ų3054.4 Ų54.418%0.18226%0.26CS..Hα-helixtrans-61.5-46.8176.5179.20000110.9A425 S433 F434 W438 A439 I440A425-V436 WeakPolarHBondContact O-CG2 3.24Å; S433-V436 WeakPolarHBondContact O-CB 3.48Å; S433-V436 PolarHBondContact O-N 3.29Å; F434-V436 VanDerWaalsContact C-N 3.26Å; F434-V436 PolarHBondContact O-N 2.74Å; V436-W438 PolarHBondContact O-N 3.43Å; V436-A439 PolarHBondContact O-N 3.24Å; V436-I440 HydrophobicContact CG1-CD1 3.71Å; V436-I440 HydrophobicContact CG1-CG1 4.33Å; V436-I440 WeakPolarHBondContact O-CB 3.29Å; V436-I440 VanDerWaalsContact O-CG1 3.28Å; V436-I440 WeakPolarHBondContact O-CG1 3.5Å; V436-I440 PolarHBondContact O-N 3.44Å
437E76.6Confident69.5Low89 Ų8956.3 Ų56.342%0.41627%0.271SS..Hα-helixtrans-59.7-46.1178.5-71.4174.6-166.800112.3S433 F434 I440 L441S433-E437 WeakPolarHBondContact O-CG 2.89Å; S433-E437 PolarHBondContact O-N 3.02Å; S433-E437 VanDerWaalsContact O-N 3.14Å; F434-E437 PolarHBondContact O-N 2.79Å; E437-I440 PolarHBondContact O-N 3.45Å; E437-L441 WeakPolarHBondContact O-CB 2.94Å; E437-L441 PolarHBondContact O-N 3.49Å
438W80.1Confident69.8Low60 Ų6058.3 Ų58.323%0.22727%0.274CS..Hα-helixtrans-65.9-37.9177.2-75.5110.3000112F226 I367 R368 V371 F434 C435 V436 L441 L442F226-W438 HydrophobicContact CZ-CH2 4.44Å; F226-W438 HydrophobicContact CZ-CZ3 4.44Å; I367-W438 HydrophobicContact CG2-CB 3.79Å; R368-W438 HydrophobicContact CB-CD2 3.92Å; R368-W438 HydrophobicContact CB-CE3 4.28Å; R368-W438 HydrophobicContact CB-CG 4.17Å; R368-W438 HydrophobicContact CG-CD2 3.89Å; R368-W438 HydrophobicContact CG-CE3 4.06Å; R368-W438 HydrophobicContact CG-CH2 3.83Å; R368-W438 HydrophobicContact CG-CZ2 3.65Å; R368-W438 HydrophobicContact CG-CZ3 4.03Å; V371-W438 HydrophobicContact CB-CE3 3.89Å; V371-W438 HydrophobicContact CB-CZ3 4.09Å; V371-W438 HydrophobicContact CG1-CE3 3.8Å; V371-W438 HydrophobicContact CG1-CZ3 3.64Å; V371-W438 HydrophobicContact CG2-CE3 3.99Å; F434-W438 PolarHBondContact O-N 3.09Å; C435-W438 PolarHBondContact O-N 3.42Å; V436-W438 PolarHBondContact O-N 3.43Å; W438-L441 HydrophobicContact CE3-CD2 3.91Å; W438-L441 HydrophobicContact CZ3-CD2 3.81Å; W438-L441 PolarHBondContact O-N 2.7Å; W438-L442 WeakPolarHBondContact O-CB 3.29Å; W438-L442 PolarHBondContact O-N 2.76Å
439A81.5Confident70.3Confident0 Ų049.3 Ų49.30%024%0.242CC..Hα-helixtrans-65.8-44.8175.900000111.9I367 I422 A425 T426 C435 V436 L441 L442 I443I367-A439 HydrophobicContact CD1-CB 4.41Å; I422-A439 HydrophobicContact CG2-CB 4.21Å; A425-A439 HydrophobicContact CB-CB 4.09Å; T426-A439 HydrophobicContact CG2-CB 3.71Å; C435-A439 WeakPolarHBondContact O-CB 3.36Å; C435-A439 PolarHBondContact O-N 3.34Å; V436-A439 PolarHBondContact O-N 3.24Å; A439-L441 VanDerWaalsContact C-N 3.34Å; A439-L441 PolarHBondContact O-N 3.29Å; A439-L442 WeakPolarHBondContact O-CB 3.44Å; A439-L442 PolarHBondContact O-N 3.2Å; A439-I443 VanDerWaalsContact O-CG1 3.32Å; A439-I443 WeakPolarHBondContact O-CG1 3.29Å; A439-I443 PolarHBondContact O-N 3.39Å
440I80Confident70.6Confident66 Ų6655 Ų5534%0.33827%0.273SS..Hα-helixtrans-61.8-43.7175.1-68.8169.3000110.5T426 V436 E437 L442 I443 R444T426-I440 HydrophobicContact CG2-CG1 4.02Å; V436-I440 HydrophobicContact CG1-CD1 3.71Å; V436-I440 HydrophobicContact CG1-CG1 4.33Å; V436-I440 WeakPolarHBondContact O-CB 3.29Å; V436-I440 VanDerWaalsContact O-CG1 3.28Å; V436-I440 WeakPolarHBondContact O-CG1 3.5Å; V436-I440 PolarHBondContact O-N 3.44Å; E437-I440 PolarHBondContact O-N 3.45Å; I440-L442 VanDerWaalsContact C-N 3.34Å; I440-L442 PolarHBondContact O-N 3.02Å; I440-I443 PolarHBondContact O-N 2.91Å; I440-R444 HydrophobicContact CG2-CG 4.5Å; I440-R444 WeakPolarHBondContact O-CB 3.47Å; I440-R444 VanDerWaalsContact O-CG 3.31Å; I440-R444 WeakPolarHBondContact O-CG 3.01Å; I440-R444 PolarHBondContact O-N 2.94Å
441L82.9Confident71.3Confident71 Ų7156.6 Ų56.637%0.37228%0.276SS..Hα-helixtrans-61-44.4176.9-179.759.5000111.2V371 E437 W438 A439 R444 L445V371-L441 HydrophobicContact CG1-CD2 3.87Å; V371-L441 HydrophobicContact CG1-CG 4.19Å; E437-L441 WeakPolarHBondContact O-CB 2.94Å; E437-L441 PolarHBondContact O-N 3.49Å; W438-L441 HydrophobicContact CE3-CD2 3.91Å; W438-L441 HydrophobicContact CZ3-CD2 3.81Å; W438-L441 PolarHBondContact O-N 2.7Å; A439-L441 VanDerWaalsContact C-N 3.34Å; A439-L441 PolarHBondContact O-N 3.29Å; L441-R444 WeakPolarHBondContact O-CB 3.42Å; L441-R444 PolarHBondContact O-N 3.36Å; L441-L445 HydrophobicContact CG-CD1 4.49Å; L441-L445 WeakPolarHBondContact O-CG 3.44Å; L441-L445 PolarHBondContact O-N 2.89Å
442L84.7Confident72.2Confident0 Ų059.3 Ų59.30%030%0.298CS..Hα-helixtrans-58.4-49.6176.1-174.852.9000111.4I367 I370 V371 I374 L384 I422 W438 A439 I440 R444 L445 L446I367-L442 HydrophobicContact CG2-CD2 4.15Å; I370-L442 HydrophobicContact CB-CD2 4.42Å; I370-L442 HydrophobicContact CG2-CD1 3.89Å; I370-L442 HydrophobicContact CG2-CD2 3.85Å; V371-L442 HydrophobicContact CG2-CB 3.6Å; V371-L442 HydrophobicContact CG2-CD1 3.91Å; V371-L442 HydrophobicContact CG2-CD2 4.45Å; V371-L442 HydrophobicContact CG2-CG 4.19Å; I374-L442 HydrophobicContact CD1-CD1 3.67Å; I374-L442 HydrophobicContact CG1-CD1 4.43Å; L384-L442 HydrophobicContact CD2-CD1 4.46Å; L384-L442 HydrophobicContact CD2-CD2 4.46Å; I422-L442 HydrophobicContact CD1-CD2 3.52Å; I422-L442 HydrophobicContact CG1-CD2 4.07Å; I422-L442 HydrophobicContact CG2-CD2 4.12Å; W438-L442 WeakPolarHBondContact O-CB 3.29Å; W438-L442 PolarHBondContact O-N 2.76Å; A439-L442 WeakPolarHBondContact O-CB 3.44Å; A439-L442 PolarHBondContact O-N 3.2Å; I440-L442 VanDerWaalsContact C-N 3.34Å; I440-L442 PolarHBondContact O-N 3.02Å; L442-R444 VanDerWaalsContact C-N 3.3Å; L442-R444 PolarHBondContact O-N 3.48Å; L442-L445 WeakPolarHBondContact O-CB 3.32Å; L442-L445 PolarHBondContact O-N 2.79Å; L442-L445 VanDerWaalsContact O-N 3.13Å; L442-L446 WeakPolarHBondContact O-CG 3.47Å; L442-L446 PolarHBondContact O-N 2.91Å
443I82.1Confident72.8Confident35 Ų3562.9 Ų62.918%0.17932%0.315CS..Hα-helixtrans-59.6-42.8177.8-67.3161.6000110.7F419 I422 L423 T426 A439 I440 L445 L446 V447F419-I443 HydrophobicContact CE2-CG1 4.37Å; I422-I443 HydrophobicContact CG2-CD1 4.23Å; I422-I443 HydrophobicContact CG2-CG1 4.05Å; L423-I443 HydrophobicContact CD2-CD1 3.81Å; T426-I443 HydrophobicContact CG2-CD1 3.53Å; A439-I443 VanDerWaalsContact O-CG1 3.32Å; A439-I443 WeakPolarHBondContact O-CG1 3.29Å; A439-I443 PolarHBondContact O-N 3.39Å; I440-I443 PolarHBondContact O-N 2.91Å; I443-L445 VanDerWaalsContact C-N 3.33Å; I443-L445 PolarHBondContact O-N 2.93Å; I443-L446 PolarHBondContact O-N 2.89Å; I443-V447 HydrophobicContact CG2-CG2 4.34Å; I443-V447 WeakPolarHBondContact O-CG2 3.49Å; I443-V447 PolarHBondContact O-N 3.11Å
444R81.2Confident73.2Confident156 Ų15662.3 Ų62.359%0.58931%0.311SS*.Hα-helixtrans-61-40.8176.1-74.8174.4177.4-175.31.4112.2I440 L441 L442 L446 V447 K448I440-R444 HydrophobicContact CG2-CG 4.5Å; I440-R444 WeakPolarHBondContact O-CB 3.47Å; I440-R444 VanDerWaalsContact O-CG 3.31Å; I440-R444 WeakPolarHBondContact O-CG 3.01Å; I440-R444 PolarHBondContact O-N 2.94Å; L441-R444 WeakPolarHBondContact O-CB 3.42Å; L441-R444 PolarHBondContact O-N 3.36Å; L442-R444 VanDerWaalsContact C-N 3.3Å; L442-R444 PolarHBondContact O-N 3.48Å; R444-L446 VanDerWaalsContact C-N 3.33Å; R444-V447 PolarHBondContact O-N 3.29Å; R444-K448 VanDerWaalsContact O-CB 3.27Å; R444-K448 WeakPolarHBondContact O-CB 3.43Å; R444-K448 WeakPolarHBondContact O-CG 3.4Å; R444-K448 PolarHBondContact O-N 3.2Å
445L80.4Confident73.5Confident53 Ų5364.6 Ų64.628%0.27733%0.331SS..Hα-helixtrans-64-38.8176.5-72.6171.9000112V371 I374 L441 L442 I443V371-L445 HydrophobicContact CG1-CD1 3.84Å; I374-L445 HydrophobicContact CG2-CB 4.38Å; L441-L445 HydrophobicContact CG-CD1 4.49Å; L441-L445 WeakPolarHBondContact O-CG 3.44Å; L441-L445 PolarHBondContact O-N 2.89Å; L442-L445 WeakPolarHBondContact O-CB 3.32Å; L442-L445 PolarHBondContact O-N 2.79Å; L442-L445 VanDerWaalsContact O-N 3.13Å; I443-L445 VanDerWaalsContact C-N 3.33Å; I443-L445 PolarHBondContact O-N 2.93Å
446L79.5Confident73.7Confident0 Ų069.4 Ų69.40%035%0.353CS..Hα-helixtrans-64.5-45.3176-62.7170.6000111.4I374 S381 L384 F419 L442 I443 R444 S449 L461I374-L446 HydrophobicContact CD1-CD2 3.85Å; S381-L446 VanDerWaalsContact CB-CD2 3.45Å; L384-L446 HydrophobicContact CD2-CD1 3.62Å; L384-L446 HydrophobicContact CD2-CD2 3.84Å; L384-L446 HydrophobicContact CD2-CG 4.27Å; F419-L446 HydrophobicContact CD2-CD1 4.18Å; F419-L446 HydrophobicContact CE2-CD1 4.1Å; L442-L446 WeakPolarHBondContact O-CG 3.47Å; L442-L446 PolarHBondContact O-N 2.91Å; I443-L446 PolarHBondContact O-N 2.89Å; R444-L446 VanDerWaalsContact C-N 3.33Å; L446-S449 PolarHBondContact O-OG 3.37Å; L446-S449 VanDerWaalsContact O-OG 3.13Å; L446-L461 HydrophobicContact CB-CD1 3.94Å; L446-L461 HydrophobicContact CD1-CD1 4.27Å
447V72.7Confident73.8Confident72 Ų7268 Ų6844%0.43634%0.344SS..Hα-helixtrans-74.8-38.6-176.5175.60000112.7I443 R444 S449 M458I443-V447 HydrophobicContact CG2-CG2 4.34Å; I443-V447 WeakPolarHBondContact O-CG2 3.49Å; I443-V447 PolarHBondContact O-N 3.11Å; R444-V447 PolarHBondContact O-N 3.29Å; V447-S449 VanDerWaalsContact C-N 3.28Å; V447-S449 PolarHBondContact O-N 2.91Å; V447-M458 HydrophobicContact CB-SD 4.1Å; V447-M458 HydrophobicContact CG1-CE 4.13Å; V447-M458 HydrophobicContact CG1-SD 3.97Å; V447-M458 HydrophobicContact CG2-CE 4.46Å; V447-M458 HydrophobicContact CG2-SD 3.89Å
448K68.2Low73.6Confident164 Ų16467.3 Ų67.371%0.71334%0.342SS*.THydrogen-bonded Turntrans-82.64.5-177.8-73.8-169.5172.6-1710114.4R444 N450R444-K448 VanDerWaalsContact O-CB 3.27Å; R444-K448 WeakPolarHBondContact O-CB 3.43Å; R444-K448 WeakPolarHBondContact O-CG 3.4Å; R444-K448 PolarHBondContact O-N 3.2Å; K448-N450 PolarHBondContact O-N 3.11Å
449S61.2Low73.4Confident16 Ų1668.3 Ų68.311%0.11236%0.358CS..  trans-65.3110.6-177.664.30000110.7L446 V447 Q451 S454L446-S449 PolarHBondContact O-OG 3.37Å; L446-S449 VanDerWaalsContact O-OG 3.13Å; V447-S449 VanDerWaalsContact C-N 3.28Å; V447-S449 PolarHBondContact O-N 2.91Å; S449-Q451 PolarHBondContact O-N 2.84Å; S449-S454 WeakPolarHBondContact O-CB 3.23Å; S449-S454 PolarHBondContact O-OG 3.43Å; S449-S454 WeakPolarHBondContact OG-CB 3.32Å
450N56.8Low73.2Confident165 Ų16570 Ų7088%0.88237%0.367SS*.  trans-74.436.4172.6-78.1-15.8000112.2K448K448-N450 PolarHBondContact O-N 3.11Å
451Q62.5Low73Confident83 Ų8367 Ų6739%0.38835%0.352SS..SBendtrans-104.1156-166.1-65.9-62.6-27.200111.6P378 S449 H453 S454P378-Q451 HydrophobicContact CB-CG 4.29Å; S449-Q451 PolarHBondContact O-N 2.84Å; Q451-H453 PolarHBondContact O-N 2.72Å; Q451-H453 VanDerWaalsContact O-N 3.12Å; Q451-S454 WeakPolarHBondContact O-CB 3.47Å; Q451-S454 PolarHBondContact O-N 2.99Å; Q451-S454 PolarHBondContact O-OG 3.08Å
452P64.9Low72.4Confident104 Ų10466.1 Ų66.168%0.67535%0.351SS*.THydrogen-bonded Turntrans-59.9-28.5-177.321.7-32.7000113.6
453H67Low71.9Confident79 Ų7969.6 Ų69.637%0.36638%0.375SS..THydrogen-bonded Turntrans-89.2-1.9178.2-56.4-67.3000113.8L382 Q451 S455 Q456 V457L382-H453 HydrophobicContact CD2-CB 4.47Å; Q451-H453 PolarHBondContact O-N 2.72Å; Q451-H453 VanDerWaalsContact O-N 3.12Å; H453-S455 PolarHBondContact O-N 3.06Å; H453-Q456 PolarHBondContact ND1-OE1 3.35Å; H453-Q456 WeakPolarHBondContact O-CB 3.48Å; H453-Q456 PolarHBondContact O-N 3.1Å; H453-V457 WeakPolarHBondContact O-CG2 3.41Å; H453-V457 PolarHBondContact O-N 3.03Å
454S66.9Low71.2Confident32 Ų3269.4 Ų69.422%0.22437%0.374CS..Hα-helixtrans-61-35-174.467.90000112.5S449 Q451 V457 M458S449-S454 WeakPolarHBondContact O-CB 3.23Å; S449-S454 PolarHBondContact O-OG 3.43Å; S449-S454 WeakPolarHBondContact OG-CB 3.32Å; Q451-S454 WeakPolarHBondContact O-CB 3.47Å; Q451-S454 PolarHBondContact O-N 2.99Å; Q451-S454 PolarHBondContact O-OG 3.08Å; S454-V457 PolarHBondContact O-N 3.47Å; S454-M458 VanDerWaalsContact O-CB 3.29Å; S454-M458 WeakPolarHBondContact O-CB 3.26Å; S454-M458 VanDerWaalsContact O-CG 3.23Å; S454-M458 WeakPolarHBondContact O-CG 3.38Å; S454-M458 PolarHBondContact O-N 3.01Å
455S70.6Confident70.4Confident80 Ų8066 Ų6656%0.55937%0.366SS*.Hα-helixtrans-62.5-42.1174.559.10000112.3H453 S459H453-S455 PolarHBondContact O-N 3.06Å; S455-S459 WeakPolarHBondContact O-CB 3.46Å; S455-S459 PolarHBondContact O-N 3.09Å
456Q75.6Confident69.3Low102 Ų10269.6 Ų69.648%0.47739%0.386SS..Hα-helixtrans-67-46.5176.1-66.4178.4-14.700110.8L382 H453 M458 S459 I460L382-Q456 HydrophobicContact CD1-CB 4.48Å; H453-Q456 PolarHBondContact ND1-OE1 3.35Å; H453-Q456 WeakPolarHBondContact O-CB 3.48Å; H453-Q456 PolarHBondContact O-N 3.1Å; Q456-M458 PolarHBondContact O-N 3.11Å; Q456-S459 PolarHBondContact O-N 2.7Å; Q456-I460 WeakPolarHBondContact O-CD1 3.36Å; Q456-I460 VanDerWaalsContact O-CG1 3.26Å; Q456-I460 WeakPolarHBondContact O-CG1 3.18Å; Q456-I460 PolarHBondContact O-N 2.88Å
457V74.3Confident67.6Low0 Ų072.3 Ų72.30%041%0.414CS..Hα-helixtrans-56.7-52.4175.4174.50000109.8L382 A385 H453 S454 S459 I460 L461L382-V457 HydrophobicContact CB-CG2 4.03Å; L382-V457 HydrophobicContact CD1-CG2 3.95Å; A385-V457 HydrophobicContact CB-CG1 4.3Å; H453-V457 WeakPolarHBondContact O-CG2 3.41Å; H453-V457 PolarHBondContact O-N 3.03Å; S454-V457 PolarHBondContact O-N 3.47Å; V457-S459 VanDerWaalsContact C-N 3.32Å; V457-S459 PolarHBondContact O-N 3.1Å; V457-I460 PolarHBondContact O-N 3.4Å; V457-I460 VanDerWaalsContact O-N 3.14Å; V457-L461 HydrophobicContact CG1-CD1 3.7Å; V457-L461 HydrophobicContact CG1-CG 3.98Å; V457-L461 WeakPolarHBondContact O-CB 3.45Å; V457-L461 VanDerWaalsContact O-CG 3.25Å; V457-L461 WeakPolarHBondContact O-CG 3.45Å; V457-L461 PolarHBondContact O-N 3.2Å
458M72.7Confident66Low76 Ų7672.1 Ų72.137%0.37441%0.41SS..Hα-helixtrans-60.1-39.1179.3-74.6-59.3-64.500112.8V447 S454 Q456 S462V447-M458 HydrophobicContact CB-SD 4.1Å; V447-M458 HydrophobicContact CG1-CE 4.13Å; V447-M458 HydrophobicContact CG1-SD 3.97Å; V447-M458 HydrophobicContact CG2-CE 4.46Å; V447-M458 HydrophobicContact CG2-SD 3.89Å; S454-M458 VanDerWaalsContact O-CB 3.29Å; S454-M458 WeakPolarHBondContact O-CB 3.26Å; S454-M458 VanDerWaalsContact O-CG 3.23Å; S454-M458 WeakPolarHBondContact O-CG 3.38Å; S454-M458 PolarHBondContact O-N 3.01Å; Q456-M458 PolarHBondContact O-N 3.11Å; M458-S462 WeakPolarHBondContact O-CB 3.06Å; M458-S462 PolarHBondContact O-N 3.32Å
459S75.6Confident64.3Low80 Ų8071 Ų7156%0.55941%0.412SS*.Hα-helixtrans-62.5-45.9174.8177.40000111.7S455 Q456 V457 S463S455-S459 WeakPolarHBondContact O-CB 3.46Å; S455-S459 PolarHBondContact O-N 3.09Å; Q456-S459 PolarHBondContact O-N 2.7Å; V457-S459 VanDerWaalsContact C-N 3.32Å; V457-S459 PolarHBondContact O-N 3.1Å; S459-S463 WeakPolarHBondContact O-CB 3.26Å; S459-S463 PolarHBondContact O-N 3.33Å
460I76.9Confident62.8Low36 Ų3677.4 Ų77.419%0.18544%0.443CS..Hα-helixtrans-64.9-49.4178-65.2158.6000110.4L382 A385 L386 Q456 V457 S462 S463 K464L382-I460 HydrophobicContact CD1-CD1 3.87Å; A385-I460 HydrophobicContact CB-CG2 4.14Å; L386-I460 HydrophobicContact CD2-CD1 3.56Å; L386-I460 HydrophobicContact CD2-CG1 4.4Å; L386-I460 HydrophobicContact CG-CD1 4.04Å; Q456-I460 WeakPolarHBondContact O-CD1 3.36Å; Q456-I460 VanDerWaalsContact O-CG1 3.26Å; Q456-I460 WeakPolarHBondContact O-CG1 3.18Å; Q456-I460 PolarHBondContact O-N 2.88Å; V457-I460 PolarHBondContact O-N 3.4Å; V457-I460 VanDerWaalsContact O-N 3.14Å; I460-S462 PolarHBondContact O-N 2.65Å; I460-S463 PolarHBondContact O-N 2.91Å; I460-S463 PolarHBondContact O-OG 2.99Å; I460-K464 PolarHBondContact O-N 3.43Å
461L76Confident61.5Low4 Ų476.1 Ų76.12%0.02144%0.436CS..Hα-helixtrans-62.6-42.7179.6-63.8-173.5000111.2A385 F419 L446 V457 S463 K464 L465A385-L461 HydrophobicContact CB-CD2 3.79Å; A385-L461 HydrophobicContact CB-CG 4.39Å; F419-L461 HydrophobicContact CB-CD2 4.42Å; F419-L461 HydrophobicContact CD1-CD2 3.69Å; F419-L461 HydrophobicContact CD2-CD2 3.55Å; F419-L461 HydrophobicContact CE1-CB 4.22Å; F419-L461 HydrophobicContact CE1-CD2 3.7Å; F419-L461 HydrophobicContact CE1-CG 4.45Å; F419-L461 HydrophobicContact CE2-CD1 4.09Å; F419-L461 HydrophobicContact CE2-CD2 3.59Å; F419-L461 HydrophobicContact CE2-CG 4.33Å; F419-L461 HydrophobicContact CG-CD2 3.6Å; F419-L461 HydrophobicContact CZ-CB 4.16Å; F419-L461 HydrophobicContact CZ-CD1 4.21Å; F419-L461 HydrophobicContact CZ-CD2 3.67Å; F419-L461 HydrophobicContact CZ-CG 4.2Å; L446-L461 HydrophobicContact CB-CD1 3.94Å; L446-L461 HydrophobicContact CD1-CD1 4.27Å; V457-L461 HydrophobicContact CG1-CD1 3.7Å; V457-L461 HydrophobicContact CG1-CG 3.98Å; V457-L461 WeakPolarHBondContact O-CB 3.45Å; V457-L461 VanDerWaalsContact O-CG 3.25Å; V457-L461 WeakPolarHBondContact O-CG 3.45Å; V457-L461 PolarHBondContact O-N 3.2Å; L461-S463 VanDerWaalsContact C-N 3.32Å; L461-S463 PolarHBondContact O-N 3.19Å; L461-K464 PolarHBondContact O-N 3.3Å; L461-L465 WeakPolarHBondContact O-CB 3.23Å; L461-L465 WeakPolarHBondContact O-CG 3.47Å; L461-L465 PolarHBondContact O-N 3.08Å
462S71.5Confident59.7Low51 Ų5179.5 Ų79.536%0.35746%0.457SS..Hα-helixtrans-63.8-36.7175.6-175.70000112.1M458 I460 K464 L465 N466M458-S462 WeakPolarHBondContact O-CB 3.06Å; M458-S462 PolarHBondContact O-N 3.32Å; I460-S462 PolarHBondContact O-N 2.65Å; S462-K464 VanDerWaalsContact C-N 3.34Å; S462-L465 PolarHBondContact O-N 2.64Å; S462-N466 WeakPolarHBondContact O-CB 3.49Å; S462-N466 VanDerWaalsContact O-CG 3.23Å; S462-N466 PolarHBondContact O-N 3.32Å
463S73Confident57.9Low73 Ų7384.1 Ų84.151%0.5148%0.475SS..Hα-helixtrans-65-38.517575.30000112.2S459 I460 L461 G467S459-S463 WeakPolarHBondContact O-CB 3.26Å; S459-S463 PolarHBondContact O-N 3.33Å; I460-S463 PolarHBondContact O-N 2.91Å; I460-S463 PolarHBondContact O-OG 2.99Å; L461-S463 VanDerWaalsContact C-N 3.32Å; L461-S463 PolarHBondContact O-N 3.19Å; S463-G467 PolarHBondContact O-N 2.81Å; S463-G467 VanDerWaalsContact O-N 3.11Å
464K67.7Low57.4Low32 Ų3284.4 Ų84.414%0.13948%0.481CS..Hα-helixtrans-69-40.1174.6-70.4-175.2172.8-172.90111.8A385 S417 F419 I460 L461 S462 G467 L468A385-K464 WeakPolarHBondContact O-CE 3.42Å; A385-K464 PolarHBondContact O-NZ 2.68Å; S417-K464 VanDerWaalsContact CB-NZ 3.28Å; S417-K464 PolarHBondContact OG-NZ 3.07Å; F419-K464 HydrophobicContact CB-CD 4.37Å; F419-K464 HydrophobicContact CD1-CB 4.19Å; F419-K464 HydrophobicContact CD1-CD 3.98Å; F419-K464 HydrophobicContact CE1-CB 4.45Å; I460-K464 PolarHBondContact O-N 3.43Å; L461-K464 PolarHBondContact O-N 3.3Å; S462-K464 VanDerWaalsContact C-N 3.34Å; K464-G467 PolarHBondContact O-N 3.33Å; K464-L468 PolarHBondContact O-N 2.93Å
465L64.9Low56.9Low83 Ų8387.1 Ų87.144%0.43549%0.494SS..Hα-helixtrans-65.3-39.5175.3-73.8167.8000112.9F419 L423 L461 S462 G467 L468F419-L465 HydrophobicContact CE1-CG 4.33Å; L423-L465 HydrophobicContact CD1-CD2 3.63Å; L423-L465 HydrophobicContact CD1-CG 4.47Å; L423-L465 HydrophobicContact CD2-CD2 4.09Å; L461-L465 WeakPolarHBondContact O-CB 3.23Å; L461-L465 WeakPolarHBondContact O-CG 3.47Å; L461-L465 PolarHBondContact O-N 3.08Å; S462-L465 PolarHBondContact O-N 2.64Å; L465-G467 VanDerWaalsContact C-N 3.28Å; L465-G467 PolarHBondContact O-N 2.86Å; L465-L468 HydrophobicContact CD2-CD1 4.2Å; L465-L468 WeakPolarHBondContact O-CB 3.39Å; L465-L468 PolarHBondContact O-N 2.74Å
466N56.5Low56.2Low130 Ų13087.5 Ų87.570%0.69549%0.491SS*.Hα-helixtrans-71.4-25.2175.8-70.3-12.2000112.3S462S462-N466 WeakPolarHBondContact O-CB 3.49Å; S462-N466 VanDerWaalsContact O-CG 3.23Å; S462-N466 PolarHBondContact O-N 3.32Å
467G45Very low55Low57 Ų5786.6 Ų86.659%0.58849%0.492SS*.Hα-helixtrans-82.3-20.3174.900000114S463 K464 L465 N469S463-G467 PolarHBondContact O-N 2.81Å; S463-G467 VanDerWaalsContact O-N 3.11Å; K464-G467 PolarHBondContact O-N 3.33Å; L465-G467 VanDerWaalsContact C-N 3.28Å; L465-G467 PolarHBondContact O-N 2.86Å; G467-N469 VanDerWaalsContact C-N 3.3Å; G467-N469 PolarHBondContact O-N 2.72Å
468L38.8Very low53.8Low68 Ų6892.1 Ų92.136%0.35652%0.522SS..SBendtrans-66.795.4165-81.9147.1000106.9L423 K464 L465 I470L423-L468 HydrophobicContact CD1-CD1 3.41Å; L423-L468 VanDerWaalsContact CD1-CD1 3.41Å; K464-L468 PolarHBondContact O-N 2.93Å; L465-L468 HydrophobicContact CD2-CD1 4.2Å; L465-L468 WeakPolarHBondContact O-CB 3.39Å; L465-L468 PolarHBondContact O-N 2.74Å; L468-I470 PolarHBondContact O-N 3.09Å
469N32.9Very low52.6Low141 Ų14193.1 Ų93.175%0.75453%0.532SS*.  trans-50.4104.2152.6-82-21.8000104.8G467 L471G467-N469 VanDerWaalsContact C-N 3.3Å; G467-N469 PolarHBondContact O-N 2.72Å; N469-L471 PolarHBondContact O-N 3.46Å
470I29.3Very low50.9Low149 Ų14994.1 Ų94.176%0.76453%0.53SS*.  trans-57.293.3160.1-58.6170.2000102.3L468 N472L468-I470 PolarHBondContact O-N 3.09Å; I470-N472 VanDerWaalsContact C-N 3.33Å; I470-N472 PolarHBondContact O-N 3.39Å
471L28.9Very low48.9Very low139 Ų13998.5 Ų98.573%0.72856%0.557SS**  trans-53.8109.4171.6-83.3154.5000103.5N469 D473N469-L471 PolarHBondContact O-N 3.46Å; L471-D473 PolarHBondContact O-N 2.98Å
472N24.3Very low46.6Very low154 Ų154106.4 Ų106.482%0.82460%0.602SS**  trans-6482.1166.4-78.3-30000106I470I470-N472 VanDerWaalsContact C-N 3.33Å; I470-N472 PolarHBondContact O-N 3.39Å
473D27Very low44.4Very low200 Ų200111.5 Ų111.5100%1.0762%0.624SS**  trans-141.80164.1-83.1-32.1000110L471L471-D473 PolarHBondContact O-N 2.98Å

Retrieved 473 of 473 residues in 676.2 ms (Link to these results)

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