A0A077Z5R1_TRITR Loading...

sphingolipid 4-desaturase

AlphaFold DB , UniProt , Accession A0A077Z5R1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 346 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
1M56.5Low83.6Confident221 Ų22179.2 Ų79.2100%1.08943%0.434SS*.  0120.80-55.7-173.3-149.900105.4
2G64.6Low84.5Confident36 Ų3679.7 Ų79.737%0.37143%0.425SS..PPolyproline II helixtrans-55.3171.5-166.800000115.1
3A75.8Confident85.3Confident56 Ų5675.5 Ų75.546%0.46341%0.406SS..PPolyproline II helixtrans-51142.4-175.400000112.7P304A3-P304 HydrophobicContact CB-CB 3.9Å; A3-P304 HydrophobicContact CB-CG 4.32Å
4Y81.6Confident85.7Confident143 Ų14384.6 Ų84.656%0.56143%0.434SS*.BIsolated β-bridgetrans-73.6149171.6-79-93.9000110S6 N154 T155 P304Y4-S6 PolarHBondContact O-N 2.96Å; Y4-N154 CarbonylContact C-O 3.57Å; Y4-N154 WeakPolarHBondContact CA-O 3.29Å; Y4-T155 HydrophobicContact CD1-CG2 3.56Å; Y4-T155 HydrophobicContact CD2-CG2 4.42Å; Y4-T155 HydrophobicContact CE1-CG2 3.42Å; Y4-T155 VanDerWaalsContact CE1-CG2 3.42Å; Y4-T155 HydrophobicContact CE2-CG2 4.31Å; Y4-T155 HydrophobicContact CG-CG2 4.08Å; Y4-P304 VanDerWaalsContact O-CB 3.31Å; Y4-P304 WeakPolarHBondContact O-CB 3.14Å
5V87.1Confident86.1Confident17 Ų1783.9 Ų83.910%0.10344%0.439CS..PPolyproline II helixtrans-63.4133.3173.6175.40000109.4R7 N154 K159 P304V5-R7 VanDerWaalsContact C-N 3.33Å; V5-R7 HydrophobicContact CG1-CB 4.38Å; V5-N154 HydrophobicContact CB-CB 4.29Å; V5-N154 HydrophobicContact CG2-CB 4.32Å; V5-N154 PolarHBondContact N-O 3.43Å; V5-K159 HydrophobicContact CG2-CD 3.87Å; V5-P304 CarbonylContact C-O 3.52Å; V5-P304 WeakPolarHBondContact CA-O 3.23Å
6S85.9Confident86.4Confident73 Ų7386.1 Ų86.151%0.5145%0.447SS..SBendtrans-75-22.7-176.157.40000113.2Y4 P304 D305Y4-S6 PolarHBondContact O-N 2.96Å; S6-P304 PolarHBondContact N-O 3.25Å; S6-P304 PolarHBondContact OG-O 3.26Å; S6-D305 WeakPolarHBondContact OG-CA 3.23Å; S6-D305 PolarHBondContact OG-OD1 3.09Å
7R90.2Very high86.8Confident73 Ų7382.5 Ų82.528%0.27543%0.427SS..  trans-95.6140.7179.6-63.3-175.7178.8-123.98.5112.5V5 E11 Y309V5-R7 VanDerWaalsContact C-N 3.33Å; V5-R7 HydrophobicContact CG1-CB 4.38Å; R7-E11 IonicContact CZ-OE2 3.53Å; R7-E11 IonicContact NH1-OE2 2.72Å; R7-E11 PolarHBondContact NH1-OE2 2.77Å; R7-E11 IonicContact NH2-OE2 3.03Å; R7-E11 PolarHBondContact NH2-OE2 2.99Å; R7-Y309 WeakPolarHBondContact O-CD2 3.37Å
8T92.6Very high87.3Confident121 Ų12180.2 Ų80.274%0.74242%0.418SS*.SBendtrans-121.92.4177.953.30000113.6Y309T8-Y309 WeakPolarHBondContact O-CE2 3.44Å; T8-Y309 PolarHBondContact O-OH 3.45Å
9D95.5Very high87.9Confident80 Ų8076.1 Ų76.143%0.42840%0.396SS..SBendtrans-146.9164.8172.6-164.314.8000110W12 Y309D9-W12 PolarHBondContact OD2-NE1 3.28Å; D9-W12 VanDerWaalsContact OD2-NE1 3.16Å; D9-Y309 VanDerWaalsContact CA-CD1 3.49Å
10F95.5Very high88.3Confident9 Ų973 Ų734%0.03938%0.383CS..  trans-69161.4172.7-62.9-77.8000111.7W12 I144 P145 E147 A150 P308 Y309 R311 K313F10-W12 PolarHBondContact O-N 3.03Å; F10-I144 HydrophobicContact CD1-CG2 4.13Å; F10-I144 HydrophobicContact CE1-CG2 3.71Å; F10-I144 HydrophobicContact CZ-CG2 4.28Å; F10-P145 WeakPolarHBondContact CZ-O 3.44Å; F10-E147 HydrophobicContact CE2-CG 4.29Å; F10-A150 HydrophobicContact CZ-CB 4.36Å; F10-P308 WeakPolarHBondContact CE1-O 3.37Å; F10-Y309 HydrophobicContact CD1-CD1 4.15Å; F10-Y309 HydrophobicContact CD2-CD1 4Å; F10-Y309 HydrophobicContact CD2-CE1 4.09Å; F10-Y309 HydrophobicContact CE1-CD1 4.14Å; F10-Y309 HydrophobicContact CE2-CD1 4Å; F10-Y309 AromaticContact CE2-CE1 3.9Å; F10-Y309 HydrophobicContact CE2-CE1 3.9Å; F10-Y309 HydrophobicContact CG-CD1 4.08Å; F10-Y309 HydrophobicContact CZ-CD1 4.06Å; F10-Y309 HydrophobicContact CZ-CE1 4.25Å; F10-R311 HydrophobicContact CD1-CB 4.09Å; F10-R311 HydrophobicContact CE1-CB 4.41Å; F10-K313 HydrophobicContact CB-CB 4.17Å; F10-K313 HydrophobicContact CB-CD 3.96Å; F10-K313 HydrophobicContact CB-CG 3.91Å; F10-K313 HydrophobicContact CD1-CD 4.37Å; F10-K313 HydrophobicContact CD1-CG 4.35Å; F10-K313 HydrophobicContact CD2-CD 3.68Å; F10-K313 HydrophobicContact CD2-CG 4.43Å; F10-K313 HydrophobicContact CE2-CD 4.27Å; F10-K313 HydrophobicContact CG-CD 3.73Å; F10-K313 HydrophobicContact CG-CG 3.98Å
11E94.5Very high88.7Confident42 Ų4271 Ų7120%0.19637%0.374CS..EExtended strand (participates in β ladder)trans-84.5107173.3-172.9161.9136.300109.7R7 R311 I312 K313R7-E11 IonicContact CZ-OE2 3.53Å; R7-E11 IonicContact NH1-OE2 2.72Å; R7-E11 PolarHBondContact NH1-OE2 2.77Å; R7-E11 IonicContact NH2-OE2 3.03Å; R7-E11 PolarHBondContact NH2-OE2 2.99Å; E11-R311 PolarHBondContact N-O 3.15Å; E11-R311 VanDerWaalsContact N-O 3.08Å; E11-I312 HydrophobicContact CB-CG1 4.38Å; E11-I312 CarbonylContact O-C 3.53Å; E11-I312 VanDerWaalsContact O-CA 3.26Å; E11-I312 WeakPolarHBondContact O-CA 3.34Å; E11-K313 PolarHBondContact O-N 3.25Å
12W94.9Very high90.7Very high85 Ų8561.1 Ų61.132%0.32232%0.324SS..EExtended strand (participates in β ladder)trans-81.8120.4-179.8-6891.9000111.4D9 F10 D138 K313D9-W12 PolarHBondContact OD2-NE1 3.28Å; D9-W12 VanDerWaalsContact OD2-NE1 3.16Å; F10-W12 PolarHBondContact O-N 3.03Å; W12-D138 HydrophobicContact CH2-CB 4.38Å; W12-K313 CarbonylContact C-O 3.09Å; W12-K313 WeakPolarHBondContact CA-O 3.38Å; W12-K313 HydrophobicContact CD2-CB 4.15Å; W12-K313 HydrophobicContact CE3-CB 3.91Å; W12-K313 HydrophobicContact CH2-CB 4.25Å; W12-K313 HydrophobicContact CH2-CD 4.15Å; W12-K313 HydrophobicContact CZ2-CB 4.45Å; W12-K313 HydrophobicContact CZ2-CD 4.2Å; W12-K313 HydrophobicContact CZ3-CB 3.98Å
13S94.4Very high92.3Very high25 Ų2562.9 Ų62.918%0.17532%0.32CS..  trans-102.5140.4173.6-178.40000110.8S15 K313S13-S15 PolarHBondContact OG-N 2.94Å; S13-S15 PolarHBondContact OG-OG 3.36Å; S13-K313 PolarHBondContact N-O 2.84Å
14Y91.3Very high93.4Very high204 Ų20466.8 Ų66.880%0.832%0.323SS*.  trans-108.49.6176.1-56.2-80.2000112.4
15S91Very high94.2Very high73 Ų7364.5 Ų64.551%0.5132%0.317SS..SBendtrans-100.2160.8171.873.70000110.7S13 R314S13-S15 PolarHBondContact OG-N 2.94Å; S13-S15 PolarHBondContact OG-OG 3.36Å; S15-R314 WeakPolarHBondContact O-CD 3.33Å; S15-R314 PolarHBondContact O-NE 3.49Å
16E90.3Very high94.7Very high120 Ų12063.7 Ų63.756%0.56131%0.312SS*.PPolyproline II helixtrans-60.4164.4166.463.5-178.4171.100111.7T21 R314E16-T21 VanDerWaalsContact CD-OG1 3.3Å; E16-T21 PolarHBondContact OE1-OG1 3.37Å; E16-R314 PolarHBondContact O-NH2 2.92Å
17E94.1Very high95.3Very high25 Ų2562.1 Ų62.112%0.11730%0.298CS..PPolyproline II helixtrans-65.8140.1168.471.475.6-155.800109.9H19 A20 M135E17-H19 PolarHBondContact O-N 2.91Å; E17-H19 WeakPolarHBondContact OE2-CA 3.1Å; E17-H19 WeakPolarHBondContact OE2-CB 3.46Å; E17-H19 IonicContact OE2-CD2 3.61Å; E17-H19 PolarHBondContact OE2-CD2 3.47Å; E17-H19 VanDerWaalsContact OE2-CD2 3.29Å; E17-H19 IonicContact OE2-CG 2.6Å; E17-H19 PolarHBondContact OE2-N 2.87Å; E17-A20 WeakPolarHBondContact OE1-CB 3.27Å; E17-A20 PolarHBondContact OE1-N 3.36Å; E17-M135 HydrophobicContact CB-CB 4.3Å; E17-M135 HydrophobicContact CB-CE 4.3Å
18P96Very high95.7Very high40 Ų4067.6 Ų67.626%0.2632%0.323SS..Hα-helixtrans-80.1-17.2-164.629.4-37.2000113.8T21 R22 E241P18-T21 PolarHBondContact O-N 2.84Å; P18-R22 VanDerWaalsContact O-CB 3.23Å; P18-R22 WeakPolarHBondContact O-CB 3.32Å; P18-R22 PolarHBondContact O-N 3.22Å; P18-E241 WeakPolarHBondContact CD-OE1 3.39Å; P18-E241 HydrophobicContact CG-CG 4.45Å; P18-E241 WeakPolarHBondContact CG-OE1 3.33Å
19H98.1Very high96Very high2 Ų267 Ų671%0.00931%0.31CS..Hα-helixtrans-72.8-41.8-168.6-61.4-80.7000112.5E17 T21 R22 R23 M135 T242 H263 D264E17-H19 PolarHBondContact O-N 2.91Å; E17-H19 WeakPolarHBondContact OE2-CA 3.1Å; E17-H19 WeakPolarHBondContact OE2-CB 3.46Å; E17-H19 IonicContact OE2-CD2 3.61Å; E17-H19 PolarHBondContact OE2-CD2 3.47Å; E17-H19 VanDerWaalsContact OE2-CD2 3.29Å; E17-H19 IonicContact OE2-CG 2.6Å; E17-H19 PolarHBondContact OE2-N 2.87Å; H19-T21 VanDerWaalsContact C-N 3.3Å; H19-T21 PolarHBondContact O-N 3.5Å; H19-R22 PolarHBondContact CE1-NH2 3.25Å; H19-R22 PolarHBondContact ND1-NH2 3.46Å; H19-R22 PolarHBondContact O-N 2.89Å; H19-R23 WeakPolarHBondContact O-CB 3.38Å; H19-R23 PolarHBondContact O-N 2.84Å; H19-M135 VanDerWaalsContact CD2-CE 3.47Å; H19-M135 WeakPolarHBondContact CD2-CE 3.44Å; H19-T242 PolarHBondContact NE2-OG1 3.02Å; H19-H263 HydrophobicContact CB-CB 4.25Å; H19-H263 AromaticContact CD2-ND1 3.95Å; H19-H263 WeakPolarHBondContact CE1-CB 3.44Å; H19-H263 AromaticContact CE1-CG 3.91Å; H19-H263 VanDerWaalsContact CG-CB 3.49Å; H19-H263 WeakPolarHBondContact ND1-CB 3.48Å; H19-H263 AromaticContact NE2-CG 3.92Å; H19-H263 AromaticContact NE2-ND1 3.94Å; H19-D264 WeakPolarHBondContact CA-OD1 3.49Å; H19-D264 WeakPolarHBondContact CB-OD1 3.26Å; H19-D264 IonicContact CE1-OD1 3.27Å; H19-D264 IonicContact CG-OD1 2.85Å; H19-D264 IonicContact ND1-OD1 2.78Å; H19-D264 PolarHBondContact ND1-OD1 3.22Å
20A96.1Very high96.1Very high15 Ų1565.4 Ų65.412%0.12430%0.299CS..Hα-helixtrans-62.4-39.3176.400000112.3E17 R24E17-A20 WeakPolarHBondContact OE1-CB 3.27Å; E17-A20 PolarHBondContact OE1-N 3.36Å; A20-R24 WeakPolarHBondContact O-CG 3.24Å; A20-R24 PolarHBondContact O-N 3.36Å; A20-R24 PolarHBondContact O-NH1 3.34Å
21T97Very high96.2Very high31 Ų3168.4 Ų68.419%0.1932%0.319CS..Hα-helixtrans-70.7-48.6178.1-66.90000111.2E16 P18 H19 R23 R24 E25E16-T21 VanDerWaalsContact CD-OG1 3.3Å; E16-T21 PolarHBondContact OE1-OG1 3.37Å; P18-T21 PolarHBondContact O-N 2.84Å; H19-T21 VanDerWaalsContact C-N 3.3Å; H19-T21 PolarHBondContact O-N 3.5Å; T21-R23 PolarHBondContact O-N 3.39Å; T21-R24 WeakPolarHBondContact O-CB 3.49Å; T21-R24 PolarHBondContact O-N 2.87Å; T21-R24 VanDerWaalsContact O-N 3.11Å; T21-R24 PolarHBondContact OG1-NH2 2.89Å; T21-E25 WeakPolarHBondContact O-CG 3.36Å; T21-E25 PolarHBondContact O-N 3.28Å
22R97.8Very high96.4Very high14 Ų1469.8 Ų69.85%0.05333%0.326CS..Hα-helixtrans-61.2-41.3177.4-171.4162.660.1-120.5-16.1112.4P18 H19 R24 E25 I26 D264 Y283 Y287P18-R22 VanDerWaalsContact O-CB 3.23Å; P18-R22 WeakPolarHBondContact O-CB 3.32Å; P18-R22 PolarHBondContact O-N 3.22Å; H19-R22 PolarHBondContact CE1-NH2 3.25Å; H19-R22 PolarHBondContact ND1-NH2 3.46Å; H19-R22 PolarHBondContact O-N 2.89Å; R22-R24 VanDerWaalsContact C-N 3.35Å; R22-R24 PolarHBondContact O-N 3.16Å; R22-E25 PolarHBondContact O-N 3.36Å; R22-I26 HydrophobicContact CG-CD1 3.8Å; R22-I26 HydrophobicContact CG-CG1 4.37Å; R22-I26 VanDerWaalsContact O-CG1 3.32Å; R22-I26 WeakPolarHBondContact O-CG1 3.47Å; R22-I26 PolarHBondContact O-N 3.37Å; R22-D264 IonicContact CZ-OD1 3.4Å; R22-D264 IonicContact CZ-OD2 3.54Å; R22-D264 IonicContact NE-OD1 3.27Å; R22-D264 PolarHBondContact NE-OD1 3.25Å; R22-D264 IonicContact NE-OD2 2.72Å; R22-D264 PolarHBondContact NE-OD2 3.49Å; R22-D264 IonicContact NH2-OD1 2.88Å; R22-D264 PolarHBondContact NH2-OD1 3.29Å; R22-D264 IonicContact NH2-OD2 3.58Å; R22-D264 PolarHBondContact NH2-OD2 2.84Å; R22-Y283 HydrophobicContact CG-CD1 3.83Å; R22-Y287 VanDerWaalsContact NH1-CZ 3.33Å; R22-Y287 PolarHBondContact NH1-OH 2.69Å
23R98.4Very high96.5Very high72 Ų7265.7 Ų65.727%0.27231%0.31SS..Hα-helixtrans-55.3-47.1172.3176.2179.845.3-97.52.4111.7H19 T21 I26 L27 D264 F265H19-R23 WeakPolarHBondContact O-CB 3.38Å; H19-R23 PolarHBondContact O-N 2.84Å; T21-R23 PolarHBondContact O-N 3.39Å; R23-I26 PolarHBondContact O-N 2.94Å; R23-L27 HydrophobicContact CG-CD1 3.85Å; R23-L27 HydrophobicContact CG-CG 4.39Å; R23-L27 WeakPolarHBondContact O-CB 3.16Å; R23-L27 VanDerWaalsContact O-CG 3.31Å; R23-L27 WeakPolarHBondContact O-CG 3.28Å; R23-L27 PolarHBondContact O-N 3.47Å; R23-D264 WeakPolarHBondContact CB-O 3.44Å; R23-D264 WeakPolarHBondContact CD-O 3.36Å; R23-D264 WeakPolarHBondContact CG-O 3.45Å; R23-D264 PolarHBondContact NH1-O 2.92Å; R23-F265 HydrophobicContact CG-CD1 4.21Å; R23-F265 HydrophobicContact CG-CE1 3.76Å; R23-F265 HydrophobicContact CG-CZ 4.1Å
24R98.4Very high96.6Very high139 Ų13969.8 Ų69.853%0.52533%0.327SS..Hα-helixtrans-63.1-41.5179.6-73.3-173.2-57.2-94.810.4111.9A20 T21 R22 K28A20-R24 WeakPolarHBondContact O-CG 3.24Å; A20-R24 PolarHBondContact O-N 3.36Å; A20-R24 PolarHBondContact O-NH1 3.34Å; T21-R24 WeakPolarHBondContact O-CB 3.49Å; T21-R24 PolarHBondContact O-N 2.87Å; T21-R24 VanDerWaalsContact O-N 3.11Å; T21-R24 PolarHBondContact OG1-NH2 2.89Å; R22-R24 VanDerWaalsContact C-N 3.35Å; R22-R24 PolarHBondContact O-N 3.16Å; R24-K28 WeakPolarHBondContact O-CB 3.35Å; R24-K28 PolarHBondContact O-N 3.29Å; R24-K28 VanDerWaalsContact O-N 3.08Å
25E98.5Very high96.9Very high95 Ų9570.1 Ų70.144%0.44433%0.326SS..Hα-helixtrans-65-46.8177.9-68.8176.6175.400111.9T21 R22 K28 K29 Y283T21-E25 WeakPolarHBondContact O-CG 3.36Å; T21-E25 PolarHBondContact O-N 3.28Å; R22-E25 PolarHBondContact O-N 3.36Å; E25-K28 PolarHBondContact O-N 3.32Å; E25-K29 PolarHBondContact O-N 3.46Å; E25-Y283 HydrophobicContact CB-CE1 3.99Å
26I98.7Very high97.2Very high0 Ų067.6 Ų67.60%031%0.307CS..Hα-helixtrans-62.5-46.2177.7-67.4169.3000110.5R22 R23 K28 K29 Y30 V33 F265 A280 Y283 Y284R22-I26 HydrophobicContact CG-CD1 3.8Å; R22-I26 HydrophobicContact CG-CG1 4.37Å; R22-I26 VanDerWaalsContact O-CG1 3.32Å; R22-I26 WeakPolarHBondContact O-CG1 3.47Å; R22-I26 PolarHBondContact O-N 3.37Å; R23-I26 PolarHBondContact O-N 2.94Å; I26-K28 VanDerWaalsContact C-N 3.25Å; I26-K28 PolarHBondContact O-N 2.82Å; I26-K29 PolarHBondContact O-N 3.47Å; I26-K29 VanDerWaalsContact O-N 3.16Å; I26-Y30 CarbonylContact O-C 3.59Å; I26-Y30 WeakPolarHBondContact O-CA 3.38Å; I26-Y30 PolarHBondContact O-N 3.37Å; I26-V33 HydrophobicContact CG2-CG2 3.96Å; I26-F265 HydrophobicContact CB-CE2 4.23Å; I26-F265 HydrophobicContact CB-CZ 3.85Å; I26-F265 HydrophobicContact CD1-CE2 3.9Å; I26-F265 HydrophobicContact CD1-CZ 4.38Å; I26-F265 HydrophobicContact CG2-CE2 3.89Å; I26-F265 HydrophobicContact CG2-CZ 3.56Å; I26-A280 HydrophobicContact CG1-CB 4.43Å; I26-A280 HydrophobicContact CG2-CB 4.06Å; I26-Y283 HydrophobicContact CD1-CD1 4.08Å; I26-Y283 HydrophobicContact CD1-CD2 4.3Å; I26-Y283 HydrophobicContact CD1-CG 3.82Å; I26-Y283 HydrophobicContact CG1-CD1 3.72Å; I26-Y283 HydrophobicContact CG1-CD2 3.71Å; I26-Y283 HydrophobicContact CG1-CE1 3.92Å; I26-Y283 HydrophobicContact CG1-CE2 3.9Å; I26-Y283 HydrophobicContact CG1-CG 3.59Å; I26-Y284 HydrophobicContact CD1-CE2 4.37Å; I26-Y284 WeakPolarHBondContact CD1-OH 2.82Å
27L98.5Very high97.5Very high40 Ų4065.5 Ų65.521%0.20929%0.294CS..Hα-helixtrans-61.9-33.9178.1-74.9172000112.7R23 P31 E34 F265R23-L27 HydrophobicContact CG-CD1 3.85Å; R23-L27 HydrophobicContact CG-CG 4.39Å; R23-L27 WeakPolarHBondContact O-CB 3.16Å; R23-L27 VanDerWaalsContact O-CG 3.31Å; R23-L27 WeakPolarHBondContact O-CG 3.28Å; R23-L27 PolarHBondContact O-N 3.47Å; L27-P31 WeakPolarHBondContact O-CA 3.39Å; L27-E34 HydrophobicContact CD2-CG 3.54Å; L27-F265 HydrophobicContact CD1-CE1 4.37Å; L27-F265 HydrophobicContact CD2-CE1 3.89Å; L27-F265 HydrophobicContact CG-CE1 3.87Å; L27-F265 HydrophobicContact CG-CZ 4.35Å
28K98.5Very high97.4Very high187 Ų18765.8 Ų65.881%0.81330%0.304SS*.Hα-helixtrans-69.6-39.1175.6-175.9-179.2178.2-176.40112R24 E25 I26R24-K28 WeakPolarHBondContact O-CB 3.35Å; R24-K28 PolarHBondContact O-N 3.29Å; R24-K28 VanDerWaalsContact O-N 3.08Å; E25-K28 PolarHBondContact O-N 3.32Å; I26-K28 VanDerWaalsContact C-N 3.25Å; I26-K28 PolarHBondContact O-N 2.82Å
29K98.6Very high97.4Very high108 Ų10867.1 Ų67.147%0.4731%0.309SS..Hα-helixtrans-85.5-36.2-175.9-168.1176.5177.8-168.10113.2E25 I26 E282 Y283E25-K29 PolarHBondContact O-N 3.46Å; I26-K29 PolarHBondContact O-N 3.47Å; I26-K29 VanDerWaalsContact O-N 3.16Å; K29-E282 IonicContact NZ-OE1 2.64Å; K29-E282 PolarHBondContact NZ-OE1 3.29Å; K29-Y283 HydrophobicContact CD-CE2 4.09Å
30Y98.2Very high97.4Very high47 Ų4768.7 Ų68.718%0.18432%0.317CS..  trans-131.568.8-175.7-58.6-70.9000110.6I26 E32 V33 A280 E282 Y283I26-Y30 CarbonylContact O-C 3.59Å; I26-Y30 WeakPolarHBondContact O-CA 3.38Å; I26-Y30 PolarHBondContact O-N 3.37Å; Y30-E32 WeakPolarHBondContact CA-OE2 3.45Å; Y30-E32 PolarHBondContact O-N 3.39Å; Y30-E32 VanDerWaalsContact O-N 3.08Å; Y30-V33 WeakPolarHBondContact O-CB 3.4Å; Y30-V33 WeakPolarHBondContact O-CG2 3.35Å; Y30-V33 PolarHBondContact O-N 3.05Å; Y30-A280 HydrophobicContact CD2-CB 3.69Å; Y30-A280 HydrophobicContact CE2-CB 3.89Å; Y30-A280 HydrophobicContact CG-CB 4.49Å; Y30-E282 WeakPolarHBondContact CE2-OE1 3.42Å; Y30-E282 PolarHBondContact OH-OE1 2.9Å; Y30-Y283 HydrophobicContact CE2-CE2 4.12Å
31P97.4Very high97.4Very high72 Ų7272.9 Ų72.947%0.46834%0.343SS..G310 helixtrans-59-21179.825.5-35.3000113.2L27 V33 E34L27-P31 WeakPolarHBondContact O-CA 3.39Å; P31-V33 PolarHBondContact O-N 2.92Å; P31-V33 VanDerWaalsContact O-N 3.15Å; P31-E34 WeakPolarHBondContact O-CB 3.12Å; P31-E34 WeakPolarHBondContact O-CG 3.37Å; P31-E34 PolarHBondContact O-N 2.98Å; P31-E34 VanDerWaalsContact O-N 3.11Å
32E97.3Very high97.4Very high71 Ų7173.5 Ų73.533%0.33235%0.352SS..G310 helixtrans-60.9-18.5174.166-91.1-144.100114.2Y30 E34 R35 L279Y30-E32 WeakPolarHBondContact CA-OE2 3.45Å; Y30-E32 PolarHBondContact O-N 3.39Å; Y30-E32 VanDerWaalsContact O-N 3.08Å; E32-E34 PolarHBondContact O-N 3.33Å; E32-R35 VanDerWaalsContact O-CB 3.28Å; E32-R35 WeakPolarHBondContact O-CB 3.27Å; E32-R35 PolarHBondContact O-N 2.96Å; E32-L279 HydrophobicContact CG-CD1 4.14Å; E32-L279 HydrophobicContact CG-CD2 3.92Å
33V97.5Very high97.5Very high0 Ų073.2 Ų73.20%035%0.35CS..G310 helixtrans-58-29.8172.8173.60000111.1I26 Y30 P31 R35 L36 F265 L279I26-V33 HydrophobicContact CG2-CG2 3.96Å; Y30-V33 WeakPolarHBondContact O-CB 3.4Å; Y30-V33 WeakPolarHBondContact O-CG2 3.35Å; Y30-V33 PolarHBondContact O-N 3.05Å; P31-V33 PolarHBondContact O-N 2.92Å; P31-V33 VanDerWaalsContact O-N 3.15Å; V33-R35 PolarHBondContact O-N 3.49Å; V33-R35 VanDerWaalsContact O-N 3.16Å; V33-L36 VanDerWaalsContact O-CB 3.28Å; V33-L36 WeakPolarHBondContact O-CB 3.27Å; V33-L36 PolarHBondContact O-N 2.9Å; V33-F265 HydrophobicContact CG1-CD1 3.85Å; V33-F265 HydrophobicContact CG1-CD2 4.4Å; V33-F265 HydrophobicContact CG1-CE1 3.55Å; V33-F265 HydrophobicContact CG1-CE2 4.15Å; V33-F265 HydrophobicContact CG1-CG 4.27Å; V33-F265 HydrophobicContact CG1-CZ 3.72Å; V33-L279 HydrophobicContact CG2-CB 4.21Å; V33-L279 HydrophobicContact CG2-CD1 3.81Å
34E96.3Very high97.5Very high111 Ų11171 Ų7152%0.51935%0.345SS..G310 helixtrans-60.5-25.9175.7-63.5-168.4136.700112.9L27 P31 E32 L36 Y37L27-E34 HydrophobicContact CD2-CG 3.54Å; P31-E34 WeakPolarHBondContact O-CB 3.12Å; P31-E34 WeakPolarHBondContact O-CG 3.37Å; P31-E34 PolarHBondContact O-N 2.98Å; P31-E34 VanDerWaalsContact O-N 3.11Å; E32-E34 PolarHBondContact O-N 3.33Å; E34-L36 PolarHBondContact O-N 3.48Å; E34-Y37 HydrophobicContact CB-CD2 4.12Å; E34-Y37 HydrophobicContact CB-CE2 4.06Å; E34-Y37 HydrophobicContact CG-CD2 4.5Å; E34-Y37 HydrophobicContact CG-CE2 3.94Å; E34-Y37 WeakPolarHBondContact O-CB 3.47Å; E34-Y37 WeakPolarHBondContact O-CD2 3.32Å; E34-Y37 PolarHBondContact O-N 3.3Å; E34-Y37 VanDerWaalsContact O-N 3.16Å
35R97.3Very high97.5Very high211 Ų21172.6 Ų72.680%0.79635%0.352SS*.G310 helixtrans-69.8-15.2175.5-58178.7179.71750.9112.7E32 V33E32-R35 VanDerWaalsContact O-CB 3.28Å; E32-R35 WeakPolarHBondContact O-CB 3.27Å; E32-R35 PolarHBondContact O-N 2.96Å; V33-R35 PolarHBondContact O-N 3.49Å; V33-R35 VanDerWaalsContact O-N 3.16Å
36L97.9Very high97.5Very high19 Ų1971 Ų7110%0.09935%0.349CS..G310 helixtrans-82.4-16.3175.3-58.2-176.5000112.4V33 E34 V268 K272 L275 V276 L279V33-L36 VanDerWaalsContact O-CB 3.28Å; V33-L36 WeakPolarHBondContact O-CB 3.27Å; V33-L36 PolarHBondContact O-N 2.9Å; E34-L36 PolarHBondContact O-N 3.48Å; L36-V268 HydrophobicContact CB-CG1 4.13Å; L36-V268 HydrophobicContact CB-CG2 4.05Å; L36-K272 HydrophobicContact CB-CD 4.36Å; L36-K272 HydrophobicContact CD2-CD 4.36Å; L36-K272 WeakPolarHBondContact O-CD 3.29Å; L36-L275 HydrophobicContact CD1-CB 3.77Å; L36-L275 HydrophobicContact CD2-CB 4Å; L36-L275 HydrophobicContact CD2-CD1 3.87Å; L36-V276 HydrophobicContact CD1-CB 4.38Å; L36-V276 HydrophobicContact CD1-CG2 3.63Å; L36-L279 HydrophobicContact CD1-CD1 3.66Å; L36-L279 HydrophobicContact CG-CD1 4.24Å
37Y96.9Very high97.5Very high76 Ų7671 Ų7130%0.29835%0.349SS..  trans-57.7143.8171.1-63.3-32.9000111E34 F265 N267 V268E34-Y37 HydrophobicContact CB-CD2 4.12Å; E34-Y37 HydrophobicContact CB-CE2 4.06Å; E34-Y37 HydrophobicContact CG-CD2 4.5Å; E34-Y37 HydrophobicContact CG-CE2 3.94Å; E34-Y37 WeakPolarHBondContact O-CB 3.47Å; E34-Y37 WeakPolarHBondContact O-CD2 3.32Å; E34-Y37 PolarHBondContact O-N 3.3Å; E34-Y37 VanDerWaalsContact O-N 3.16Å; Y37-F265 AromaticContact CE1-CD1 3.98Å; Y37-F265 HydrophobicContact CE1-CD1 3.98Å; Y37-N267 HydrophobicContact CD1-CB 3.97Å; Y37-N267 HydrophobicContact CE1-CB 4.19Å; Y37-V268 HydrophobicContact CD1-CG2 3.56Å; Y37-V268 HydrophobicContact CE1-CG2 3.85Å
38G91.8Very high97.5Very high31 Ų3171.4 Ų71.432%0.3235%0.353SS..BIsolated β-bridgetrans129.6-179178.300000113.1S269G38-S269 PolarHBondContact O-OG 2.89Å
39L96.4Very high97.6Very high69 Ų6967.8 Ų67.836%0.36134%0.342SS..  trans-92.7153.9-170.5-47.6178.7000110.9M95L39-M95 WeakPolarHBondContact CD2-O 3.41Å; L39-M95 HydrophobicContact CD2-SD 4.45Å
40D97.6Very high97.6Very high35 Ų3563.3 Ų63.319%0.18732%0.323CS..  trans-83.6116.7162.7178.9-5.3000109.1A42 F43 H271D40-A42 PolarHBondContact O-N 2.95Å; D40-A42 WeakPolarHBondContact OD1-CB 3.2Å; D40-A42 PolarHBondContact OD1-N 2.87Å; D40-F43 HydrophobicContact CB-CB 3.83Å; D40-F43 WeakPolarHBondContact O-CB 3.11Å; D40-F43 PolarHBondContact O-N 3.3Å; D40-H271 WeakPolarHBondContact CB-ND1 3.28Å
41P96.1Very high97.6Very high103 Ų10361.2 Ų61.267%0.66932%0.315SS*.THydrogen-bonded Turntrans-63.6-23.2-179.926.9-34.9000113.6Y45P41-Y45 WeakPolarHBondContact O-CD2 3.33Å; P41-Y45 WeakPolarHBondContact O-CE2 3.37Å
42A98Very high97.7Very high44 Ų4462.7 Ų62.736%0.36432%0.319SS..THydrogen-bonded Turntrans-84-22.9179.500000113D40 T44 Y45 V46D40-A42 PolarHBondContact O-N 2.95Å; D40-A42 WeakPolarHBondContact OD1-CB 3.2Å; D40-A42 PolarHBondContact OD1-N 2.87Å; A42-T44 PolarHBondContact O-N 3.31Å; A42-Y45 WeakPolarHBondContact O-CB 3.42Å; A42-Y45 PolarHBondContact O-N 2.87Å; A42-V46 HydrophobicContact CB-CG2 4.42Å; A42-V46 WeakPolarHBondContact O-CG2 3.4Å; A42-V46 PolarHBondContact O-N 3.33Å
43F98.6Very high97.7Very high7 Ų761.1 Ų61.13%0.03131%0.314CS..Hα-helixtrans-55.8-47.3-166.2177.7-104000113.8D40 Y45 V46 V47 A87 E90 I91 A96 F254D40-F43 HydrophobicContact CB-CB 3.83Å; D40-F43 WeakPolarHBondContact O-CB 3.11Å; D40-F43 PolarHBondContact O-N 3.3Å; F43-Y45 VanDerWaalsContact C-N 3.31Å; F43-Y45 PolarHBondContact O-N 2.89Å; F43-V46 PolarHBondContact O-N 3.48Å; F43-V47 HydrophobicContact CD1-CG2 4.45Å; F43-V47 HydrophobicContact CD2-CG2 4.24Å; F43-V47 HydrophobicContact CE1-CG2 4.1Å; F43-V47 HydrophobicContact CE2-CG2 3.87Å; F43-V47 HydrophobicContact CZ-CG2 3.79Å; F43-V47 VanDerWaalsContact O-CG2 3.31Å; F43-V47 WeakPolarHBondContact O-CG2 3.46Å; F43-V47 PolarHBondContact O-N 3.44Å; F43-A87 HydrophobicContact CE2-CB 4.25Å; F43-A87 HydrophobicContact CZ-CB 4.01Å; F43-E90 HydrophobicContact CE1-CB 4.38Å; F43-E90 HydrophobicContact CE2-CB 3.93Å; F43-E90 HydrophobicContact CE2-CG 4.17Å; F43-E90 HydrophobicContact CZ-CB 3.61Å; F43-E90 HydrophobicContact CZ-CG 4.36Å; F43-I91 HydrophobicContact CE1-CD1 4.3Å; F43-I91 HydrophobicContact CE1-CG1 3.69Å; F43-I91 HydrophobicContact CZ-CD1 4.44Å; F43-I91 HydrophobicContact CZ-CG1 3.98Å; F43-A96 HydrophobicContact CD1-CB 4.14Å; F43-A96 HydrophobicContact CE1-CB 4.01Å; F43-F254 AromaticContact CD2-CD1 3.95Å; F43-F254 HydrophobicContact CD2-CD1 3.95Å; F43-F254 AromaticContact CD2-CE1 3.84Å; F43-F254 HydrophobicContact CD2-CE1 3.84Å; F43-F254 HydrophobicContact CD2-CZ 4.46Å; F43-F254 AromaticContact CE2-CD1 3.96Å; F43-F254 HydrophobicContact CE2-CD1 3.96Å; F43-F254 HydrophobicContact CE2-CD2 4.47Å; F43-F254 AromaticContact CE2-CE1 3.9Å; F43-F254 HydrophobicContact CE2-CE1 3.9Å; F43-F254 HydrophobicContact CE2-CE2 4.42Å; F43-F254 HydrophobicContact CE2-CG 4.25Å; F43-F254 HydrophobicContact CE2-CZ 4.15Å
44T98.7Very high97.8Very high26 Ų2661.1 Ų61.116%0.1631%0.314CS..Hα-helixtrans-64.9-35.2-179.556.80000112.6A42 T48 A96 F97 F108A42-T44 PolarHBondContact O-N 3.31Å; T44-T48 WeakPolarHBondContact O-CB 3.44Å; T44-T48 PolarHBondContact O-N 3.25Å; T44-T48 PolarHBondContact O-OG1 3.35Å; T44-A96 HydrophobicContact CG2-CB 4.02Å; T44-F97 HydrophobicContact CG2-CE1 3.93Å; T44-F97 HydrophobicContact CG2-CE2 4.21Å; T44-F97 HydrophobicContact CG2-CZ 3.73Å; T44-F108 HydrophobicContact CG2-CE1 4.05Å; T44-F108 HydrophobicContact CG2-CZ 4.19Å; T44-F108 WeakPolarHBondContact O-CZ 3.32Å
45Y98.7Very high97.9Very high172 Ų17257.4 Ų57.468%0.67530%0.3SS*.Hα-helixtrans-69.6-43175.4-59.2-75.5000111.7P41 A42 F43 T48 L49P41-Y45 WeakPolarHBondContact O-CD2 3.33Å; P41-Y45 WeakPolarHBondContact O-CE2 3.37Å; A42-Y45 WeakPolarHBondContact O-CB 3.42Å; A42-Y45 PolarHBondContact O-N 2.87Å; F43-Y45 VanDerWaalsContact C-N 3.31Å; F43-Y45 PolarHBondContact O-N 2.89Å; Y45-T48 PolarHBondContact O-N 2.91Å; Y45-L49 WeakPolarHBondContact O-CB 3.37Å; Y45-L49 PolarHBondContact O-N 3.11Å
46V98.7Very high98Very high62 Ų6251.7 Ų51.738%0.37629%0.285SS..Hα-helixtrans-61.4-48.1177.2174.10000110.6A42 F43 T48 L49 M50 F254A42-V46 HydrophobicContact CB-CG2 4.42Å; A42-V46 WeakPolarHBondContact O-CG2 3.4Å; A42-V46 PolarHBondContact O-N 3.33Å; F43-V46 PolarHBondContact O-N 3.48Å; V46-T48 VanDerWaalsContact C-N 3.33Å; V46-T48 PolarHBondContact O-N 3.4Å; V46-L49 PolarHBondContact O-N 3.01Å; V46-M50 HydrophobicContact CG1-CE 4.4Å; V46-M50 WeakPolarHBondContact O-CG 3.33Å; V46-M50 PolarHBondContact O-N 2.91Å; V46-F254 HydrophobicContact CG1-CE1 4Å; V46-F254 HydrophobicContact CG1-CZ 4.1Å
47V98.9Very high98Very high0 Ų053.6 Ų53.60%029%0.292CS..Hα-helixtrans-61-43.3177.2173.30000111.4F43 L49 M50 V51 L84 A87 F108 A112 F254F43-V47 HydrophobicContact CD1-CG2 4.45Å; F43-V47 HydrophobicContact CD2-CG2 4.24Å; F43-V47 HydrophobicContact CE1-CG2 4.1Å; F43-V47 HydrophobicContact CE2-CG2 3.87Å; F43-V47 HydrophobicContact CZ-CG2 3.79Å; F43-V47 VanDerWaalsContact O-CG2 3.31Å; F43-V47 WeakPolarHBondContact O-CG2 3.46Å; F43-V47 PolarHBondContact O-N 3.44Å; V47-L49 PolarHBondContact O-N 3.4Å; V47-M50 HydrophobicContact CB-CE 4.44Å; V47-M50 HydrophobicContact CG2-CE 4.09Å; V47-M50 PolarHBondContact O-N 2.89Å; V47-V51 WeakPolarHBondContact O-CG2 3.34Å; V47-V51 PolarHBondContact O-N 3.23Å; V47-L84 HydrophobicContact CG1-CD2 4.23Å; V47-A87 HydrophobicContact CG1-CB 4.39Å; V47-A87 HydrophobicContact CG2-CB 3.54Å; V47-F108 HydrophobicContact CB-CE1 3.9Å; V47-F108 HydrophobicContact CB-CZ 3.76Å; V47-F108 HydrophobicContact CG1-CE1 3.72Å; V47-F108 HydrophobicContact CG1-CZ 3.66Å; V47-F108 HydrophobicContact CG2-CE1 4.4Å; V47-A112 HydrophobicContact CG1-CB 3.66Å; V47-F254 HydrophobicContact CG2-CZ 4.42Å
48T98.9Very high98.1Very high48 Ų4850 Ų5029%0.29428%0.278SS..Hα-helixtrans-61-44.7176-57.70000111.7T44 Y45 V46 M50 V51 L52 F111T44-T48 WeakPolarHBondContact O-CB 3.44Å; T44-T48 PolarHBondContact O-N 3.25Å; T44-T48 PolarHBondContact O-OG1 3.35Å; Y45-T48 PolarHBondContact O-N 2.91Å; V46-T48 VanDerWaalsContact C-N 3.33Å; V46-T48 PolarHBondContact O-N 3.4Å; T48-M50 PolarHBondContact O-N 3.38Å; T48-V51 PolarHBondContact O-N 3.35Å; T48-L52 HydrophobicContact CG2-CD1 4.16Å; T48-L52 HydrophobicContact CG2-CG 4.5Å; T48-L52 WeakPolarHBondContact O-CG 3.5Å; T48-L52 PolarHBondContact O-N 3.23Å; T48-F111 HydrophobicContact CG2-CE1 4.25Å; T48-F111 HydrophobicContact CG2-CZ 4.12Å
49L98.8Very high98.4Very high111 Ų11154 Ų5458%0.58128%0.284SS*.Hα-helixtrans-61-44.5177.1-177.360.8000111.4Y45 V46 V47 V51 L52 T53Y45-L49 WeakPolarHBondContact O-CB 3.37Å; Y45-L49 PolarHBondContact O-N 3.11Å; V46-L49 PolarHBondContact O-N 3.01Å; V47-L49 PolarHBondContact O-N 3.4Å; L49-V51 PolarHBondContact O-N 3.44Å; L49-L52 PolarHBondContact O-N 3.03Å; L49-T53 WeakPolarHBondContact O-CB 3.3Å; L49-T53 PolarHBondContact O-N 2.85Å; L49-T53 PolarHBondContact O-OG1 3.22Å
50M98.8Very high98.5Very high15 Ų1555.6 Ų55.67%0.07429%0.293CS..Hα-helixtrans-60.6-42.1177.5-69.4-169.7-60.500112.8V46 V47 T48 T53 Q54 L80 S83 L84 A87 F254V46-M50 HydrophobicContact CG1-CE 4.4Å; V46-M50 WeakPolarHBondContact O-CG 3.33Å; V46-M50 PolarHBondContact O-N 2.91Å; V47-M50 HydrophobicContact CB-CE 4.44Å; V47-M50 HydrophobicContact CG2-CE 4.09Å; V47-M50 PolarHBondContact O-N 2.89Å; T48-M50 PolarHBondContact O-N 3.38Å; M50-T53 PolarHBondContact O-N 2.91Å; M50-Q54 PolarHBondContact O-N 2.93Å; M50-L80 HydrophobicContact CG-CD2 4.05Å; M50-L80 HydrophobicContact SD-CD2 4.34Å; M50-S83 PolarHBondContact SD-OG 3.48Å; M50-S83 VanDerWaalsContact SD-OG 3.39Å; M50-L84 HydrophobicContact CB-CD1 4.44Å; M50-L84 HydrophobicContact CB-CD2 3.91Å; M50-L84 HydrophobicContact CB-CG 4.12Å; M50-L84 HydrophobicContact CE-CD2 3.83Å; M50-L84 HydrophobicContact CE-CG 4.17Å; M50-A87 HydrophobicContact CE-CB 4.4Å; M50-F254 HydrophobicContact CE-CE2 3.91Å; M50-F254 HydrophobicContact CE-CZ 3.55Å; M50-F254 HydrophobicContact SD-CZ 4.41Å
51V98.9Very high98.6Very high3 Ų354.7 Ų54.72%0.01829%0.288CS..Hα-helixtrans-61.5-47.6175.6173.30000110.7V47 T48 L49 T53 Q54 C55 L84 F111 P115V47-V51 WeakPolarHBondContact O-CG2 3.34Å; V47-V51 PolarHBondContact O-N 3.23Å; T48-V51 PolarHBondContact O-N 3.35Å; L49-V51 PolarHBondContact O-N 3.44Å; V51-T53 PolarHBondContact O-N 2.94Å; V51-Q54 PolarHBondContact O-N 3.43Å; V51-C55 PolarHBondContact O-N 3.38Å; V51-C55 PolarHBondContact O-SG 3.05Å; V51-C55 VanDerWaalsContact O-SG 3.39Å; V51-L84 HydrophobicContact CG2-CD2 3.81Å; V51-F111 HydrophobicContact CB-CE1 4.08Å; V51-F111 HydrophobicContact CB-CE2 4.39Å; V51-F111 HydrophobicContact CB-CZ 3.79Å; V51-F111 HydrophobicContact CG1-CD2 4.46Å; V51-F111 HydrophobicContact CG1-CE1 4.31Å; V51-F111 HydrophobicContact CG1-CE2 3.76Å; V51-F111 HydrophobicContact CG1-CZ 3.66Å; V51-F111 HydrophobicContact CG2-CD1 4.34Å; V51-F111 HydrophobicContact CG2-CE1 3.92Å; V51-F111 HydrophobicContact CG2-CZ 4.12Å; V51-P115 HydrophobicContact CB-CG 4.3Å; V51-P115 HydrophobicContact CG1-CG 4.04Å; V51-P115 HydrophobicContact CG2-CG 4.19Å
52L98.9Very high98.6Very high103 Ų10352.6 Ų52.654%0.53927%0.268SS..Hα-helixtrans-63.7-39.8178.7-66.3176.8000112.1T48 L49 C55 L56T48-L52 HydrophobicContact CG2-CD1 4.16Å; T48-L52 HydrophobicContact CG2-CG 4.5Å; T48-L52 WeakPolarHBondContact O-CG 3.5Å; T48-L52 PolarHBondContact O-N 3.23Å; L49-L52 PolarHBondContact O-N 3.03Å; L52-C55 PolarHBondContact O-N 3.44Å; L52-L56 WeakPolarHBondContact O-CB 3.5Å; L52-L56 PolarHBondContact O-N 3.31Å
53T98.8Very high98.6Very high37 Ų3756.3 Ų56.323%0.22728%0.282CS..Hα-helixtrans-62.9-42.7175.7-61.60000111.6L49 M50 V51 L56 F57 L80L49-T53 WeakPolarHBondContact O-CB 3.3Å; L49-T53 PolarHBondContact O-N 2.85Å; L49-T53 PolarHBondContact O-OG1 3.22Å; M50-T53 PolarHBondContact O-N 2.91Å; V51-T53 PolarHBondContact O-N 2.94Å; T53-L56 WeakPolarHBondContact O-CB 3.45Å; T53-L56 PolarHBondContact O-N 2.92Å; T53-F57 HydrophobicContact CG2-CD1 4.37Å; T53-F57 HydrophobicContact CG2-CD2 4.21Å; T53-F57 HydrophobicContact CG2-CE1 4.01Å; T53-F57 HydrophobicContact CG2-CE2 3.85Å; T53-F57 HydrophobicContact CG2-CG 4.49Å; T53-F57 HydrophobicContact CG2-CZ 3.74Å; T53-F57 WeakPolarHBondContact O-CG 3.45Å; T53-F57 PolarHBondContact O-N 2.96Å; T53-L80 HydrophobicContact CG2-CD1 3.63Å
54Q98.7Very high98.6Very high0 Ų057.1 Ų57.10%029%0.288CS..Hα-helixtrans-65.9-38.2176.2-77.4-65.489.200112.6M50 V51 L56 F57 A58 G77 L80 N81 L84 P115 Y211 L212M50-Q54 PolarHBondContact O-N 2.93Å; V51-Q54 PolarHBondContact O-N 3.43Å; Q54-L56 VanDerWaalsContact C-N 3.34Å; Q54-F57 PolarHBondContact O-N 3.41Å; Q54-A58 WeakPolarHBondContact O-CB 3.35Å; Q54-A58 PolarHBondContact O-N 3.24Å; Q54-G77 PolarHBondContact NE2-O 2.8Å; Q54-L80 HydrophobicContact CG-CB 4.01Å; Q54-L80 HydrophobicContact CG-CD1 4.24Å; Q54-N81 PolarHBondContact NE2-OD1 3.4Å; Q54-L84 HydrophobicContact CG-CD1 4.29Å; Q54-P115 HydrophobicContact CB-CB 3.72Å; Q54-P115 HydrophobicContact CB-CG 3.95Å; Q54-P115 HydrophobicContact CG-CB 4.1Å; Q54-Y211 PolarHBondContact OE1-OH 3.1Å; Q54-L212 HydrophobicContact CB-CD2 4.21Å
55C98.6Very high98.6Very high34 Ų3459 Ų5923%0.2330%0.303CS..Hα-helixtrans-61.6-42.4171.7-70.30000111.8V51 L52 A58 Y59V51-C55 PolarHBondContact O-N 3.38Å; V51-C55 PolarHBondContact O-SG 3.05Å; V51-C55 VanDerWaalsContact O-SG 3.39Å; L52-C55 PolarHBondContact O-N 3.44Å; C55-A58 PolarHBondContact O-N 3.29Å; C55-Y59 PolarHBondContact O-N 2.99Å
56L98.7Very high98.6Very high91 Ų9156.9 Ų56.948%0.47629%0.294SS..Hα-helixtrans-62.5-46.4175.5176.162.1000111.3L52 T53 Q54 A58 Y59 L60L52-L56 WeakPolarHBondContact O-CB 3.5Å; L52-L56 PolarHBondContact O-N 3.31Å; T53-L56 WeakPolarHBondContact O-CB 3.45Å; T53-L56 PolarHBondContact O-N 2.92Å; Q54-L56 VanDerWaalsContact C-N 3.34Å; L56-A58 PolarHBondContact O-N 3.45Å; L56-Y59 WeakPolarHBondContact O-CB 3.33Å; L56-Y59 PolarHBondContact O-N 3.41Å; L56-L60 HydrophobicContact CD1-CD1 4.04Å; L56-L60 HydrophobicContact CD1-CG 4.05Å; L56-L60 HydrophobicContact CG-CD1 3.96Å; L56-L60 HydrophobicContact CG-CG 4.36Å; L56-L60 VanDerWaalsContact O-CG 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.22Å; L56-L60 PolarHBondContact O-N 2.73Å
57F98.7Very high98.5Very high58 Ų5861.8 Ų61.825%0.25431%0.307SS..Hα-helixtrans-62.9-41.3177.8-72.5-5.5000112.1T53 Q54 Y59 L60 L61 A76 L80 Y211T53-F57 HydrophobicContact CG2-CD1 4.37Å; T53-F57 HydrophobicContact CG2-CD2 4.21Å; T53-F57 HydrophobicContact CG2-CE1 4.01Å; T53-F57 HydrophobicContact CG2-CE2 3.85Å; T53-F57 HydrophobicContact CG2-CG 4.49Å; T53-F57 HydrophobicContact CG2-CZ 3.74Å; T53-F57 WeakPolarHBondContact O-CG 3.45Å; T53-F57 PolarHBondContact O-N 2.96Å; Q54-F57 PolarHBondContact O-N 3.41Å; F57-Y59 VanDerWaalsContact C-N 3.32Å; F57-Y59 PolarHBondContact O-N 3.33Å; F57-L60 PolarHBondContact O-N 2.97Å; F57-L61 WeakPolarHBondContact O-CB 3.24Å; F57-L61 WeakPolarHBondContact O-CG 3.42Å; F57-L61 PolarHBondContact O-N 3.44Å; F57-A76 HydrophobicContact CE2-CB 4.3Å; F57-L80 HydrophobicContact CD2-CD1 4.19Å; F57-L80 HydrophobicContact CE2-CD1 3.81Å; F57-Y211 HydrophobicContact CB-CE1 3.82Å; F57-Y211 WeakPolarHBondContact CB-OH 3.25Å; F57-Y211 WeakPolarHBondContact CD2-OH 3.49Å
58A98.7Very high98.5Very high0 Ų064.9 Ų64.90%032%0.323CS..Hα-helixtrans-58.9-43.8174.200000111.7Q54 C55 L56 K62 F204 A208 Y211 L212Q54-A58 WeakPolarHBondContact O-CB 3.35Å; Q54-A58 PolarHBondContact O-N 3.24Å; C55-A58 PolarHBondContact O-N 3.29Å; L56-A58 PolarHBondContact O-N 3.45Å; A58-K62 PolarHBondContact O-N 3.14Å; A58-F204 HydrophobicContact CB-CD2 4.35Å; A58-A208 HydrophobicContact CB-CB 4.2Å; A58-A208 VanDerWaalsContact O-CB 3.27Å; A58-A208 WeakPolarHBondContact O-CB 3.43Å; A58-Y211 HydrophobicContact CB-CD1 4.1Å; A58-Y211 HydrophobicContact CB-CE1 4.46Å; A58-L212 HydrophobicContact CB-CD1 4.2Å; A58-L212 HydrophobicContact CB-CD2 4.2Å; A58-L212 HydrophobicContact CB-CG 4.08Å
59Y98.6Very high98.5Very high115 Ų11562.6 Ų62.645%0.45131%0.309SS..Hα-helixtrans-63.5-46.9174.6170.7-104.7000112.6C55 L56 F57 L61 K62 F204C55-Y59 PolarHBondContact O-N 2.99Å; L56-Y59 WeakPolarHBondContact O-CB 3.33Å; L56-Y59 PolarHBondContact O-N 3.41Å; F57-Y59 VanDerWaalsContact C-N 3.32Å; F57-Y59 PolarHBondContact O-N 3.33Å; Y59-L61 VanDerWaalsContact C-N 3.28Å; Y59-L61 PolarHBondContact O-N 3.1Å; Y59-K62 HydrophobicContact CD2-CD 3.93Å; Y59-K62 HydrophobicContact CE2-CD 4.06Å; Y59-K62 WeakPolarHBondContact O-CB 3.27Å; Y59-K62 VanDerWaalsContact O-CD 3.27Å; Y59-K62 WeakPolarHBondContact O-CD 3.39Å; Y59-K62 WeakPolarHBondContact O-CG 3.32Å; Y59-K62 PolarHBondContact O-N 2.82Å; Y59-F204 AromaticContact CD2-CD1 3.83Å; Y59-F204 HydrophobicContact CD2-CD1 3.83Å; Y59-F204 AromaticContact CD2-CE1 3.75Å; Y59-F204 HydrophobicContact CD2-CE1 3.75Å; Y59-F204 HydrophobicContact CD2-CZ 4.46Å; Y59-F204 HydrophobicContact CG-CE1 4.39Å
60L98.5Very high98.5Very high104 Ų10461.2 Ų61.255%0.54530%0.302SS..Hα-helixtrans-66-31.1-178.4-68176000112.6L56 F57L56-L60 HydrophobicContact CD1-CD1 4.04Å; L56-L60 HydrophobicContact CD1-CG 4.05Å; L56-L60 HydrophobicContact CG-CD1 3.96Å; L56-L60 HydrophobicContact CG-CG 4.36Å; L56-L60 VanDerWaalsContact O-CG 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.22Å; L56-L60 PolarHBondContact O-N 2.73Å; F57-L60 PolarHBondContact O-N 2.97Å
61L98.2Very high98.5Very high15 Ų1563.5 Ų63.58%0.07931%0.313CS..Hα-helixtrans-89.6-2.4-178.5-67.6171.6000114.2F57 Y59 D63 S64 L68 I69 Q72 Y211F57-L61 WeakPolarHBondContact O-CB 3.24Å; F57-L61 WeakPolarHBondContact O-CG 3.42Å; F57-L61 PolarHBondContact O-N 3.44Å; Y59-L61 VanDerWaalsContact C-N 3.28Å; Y59-L61 PolarHBondContact O-N 3.1Å; L61-D63 PolarHBondContact O-N 2.91Å; L61-D63 VanDerWaalsContact O-N 3.09Å; L61-S64 WeakPolarHBondContact O-CB 3.33Å; L61-S64 PolarHBondContact O-N 3.15Å; L61-L68 HydrophobicContact CD2-CD2 4.12Å; L61-L68 HydrophobicContact CD2-CG 4.02Å; L61-I69 HydrophobicContact CB-CG1 4.45Å; L61-Q72 HydrophobicContact CD1-CB 3.73Å; L61-Q72 HydrophobicContact CD1-CG 4.18Å; L61-Q72 HydrophobicContact CD2-CG 4.12Å; L61-Y211 HydrophobicContact CD1-CD1 4.31Å; L61-Y211 HydrophobicContact CD1-CD2 3.42Å; L61-Y211 VanDerWaalsContact CD1-CD2 3.42Å; L61-Y211 HydrophobicContact CD1-CE1 4.28Å; L61-Y211 HydrophobicContact CD1-CE2 3.36Å; L61-Y211 HydrophobicContact CD1-CG 3.91Å
62K97.7Very high98.4Very high59 Ų5966.7 Ų66.726%0.25733%0.328SS..THydrogen-bonded Turntrans-53.5-35.6-172.671.6-172.6-178.669.20114.9A58 Y59 F204 K207 A208A58-K62 PolarHBondContact O-N 3.14Å; Y59-K62 HydrophobicContact CD2-CD 3.93Å; Y59-K62 HydrophobicContact CE2-CD 4.06Å; Y59-K62 WeakPolarHBondContact O-CB 3.27Å; Y59-K62 VanDerWaalsContact O-CD 3.27Å; Y59-K62 WeakPolarHBondContact O-CD 3.39Å; Y59-K62 WeakPolarHBondContact O-CG 3.32Å; Y59-K62 PolarHBondContact O-N 2.82Å; K62-F204 HydrophobicContact CB-CB 4.3Å; K62-F204 VanDerWaalsContact CB-O 3.23Å; K62-F204 WeakPolarHBondContact CB-O 3.36Å; K62-K207 WeakPolarHBondContact O-CB 3.05Å; K62-K207 WeakPolarHBondContact O-CD 3.46Å; K62-A208 HydrophobicContact CB-CB 4.4Å
63D97.5Very high98.4Very high122 Ų12261.8 Ų61.865%0.65230%0.303SS*.THydrogen-bonded Turntrans-108.55.3-179.1-60.1-47.8000113.1L61L61-D63 PolarHBondContact O-N 2.91Å; L61-D63 VanDerWaalsContact O-N 3.09Å
64S98.1Very high98.4Very high24 Ų2463.1 Ų63.117%0.16830%0.304CS..SBendtrans-71164.7-175.8-730000113.2L61 K207L61-S64 WeakPolarHBondContact O-CB 3.33Å; L61-S64 PolarHBondContact O-N 3.15Å; S64-K207 WeakPolarHBondContact O-CD 3.26Å; S64-K207 WeakPolarHBondContact O-CE 3.39Å; S64-K207 PolarHBondContact O-NZ 3.38Å
65S98.4Very high98.3Very high66 Ų6670.1 Ų70.146%0.46234%0.335SS..  trans-68152.2171.871.20000111.1Y67 L68 I69S65-Y67 PolarHBondContact O-N 3.2Å; S65-L68 PolarHBondContact O-N 3.46Å; S65-L68 VanDerWaalsContact O-N 3.15Å; S65-L68 PolarHBondContact OG-N 3.06Å; S65-I69 WeakPolarHBondContact O-CG1 3.48Å; S65-I69 PolarHBondContact O-N 3.33Å
66W98.5Very high98.3Very high128 Ų12869.8 Ų69.849%0.48533%0.334SS..Hα-helixtrans-58.9-32.7175.6-74.4114.3000113I69 L70 K207 A210W66-I69 HydrophobicContact CD2-CD1 4.5Å; W66-I69 HydrophobicContact CE3-CD1 3.99Å; W66-I69 HydrophobicContact CE3-CG2 4.36Å; W66-I69 HydrophobicContact CZ3-CD1 4.28Å; W66-I69 PolarHBondContact O-N 3.37Å; W66-L70 WeakPolarHBondContact O-CG 3.16Å; W66-L70 PolarHBondContact O-N 3.2Å; W66-K207 HydrophobicContact CH2-CG 4.02Å; W66-K207 HydrophobicContact CZ2-CG 3.9Å; W66-K207 HydrophobicContact CZ3-CG 4.49Å; W66-A210 HydrophobicContact CH2-CB 3.8Å; W66-A210 HydrophobicContact CZ3-CB 3.68Å
67Y98.3Very high98.3Very high165 Ų16565.5 Ų65.565%0.64731%0.312SS*.Hα-helixtrans-62.1-47.5175.2179.8-105.1000111.9S65 I69 L70 L71S65-Y67 PolarHBondContact O-N 3.2Å; Y67-I69 VanDerWaalsContact C-N 3.33Å; Y67-I69 PolarHBondContact O-N 2.89Å; Y67-L70 PolarHBondContact O-N 3.04Å; Y67-L71 HydrophobicContact CD1-CD1 3.98Å; Y67-L71 HydrophobicContact CE1-CD1 3.35Å; Y67-L71 HydrophobicContact CE1-CG 4.19Å; Y67-L71 HydrophobicContact CE2-CD1 4.32Å; Y67-L71 HydrophobicContact CE2-CG 4.39Å; Y67-L71 WeakPolarHBondContact O-CG 3.48Å; Y67-L71 PolarHBondContact O-N 3.47Å
68L98.4Very high98.2Very high64 Ų6462.7 Ų62.734%0.33530%0.3SS..Hα-helixtrans-65-39.4177.1-17859000111.4L61 S65 L70 L71 Q72L61-L68 HydrophobicContact CD2-CD2 4.12Å; L61-L68 HydrophobicContact CD2-CG 4.02Å; S65-L68 PolarHBondContact O-N 3.46Å; S65-L68 VanDerWaalsContact O-N 3.15Å; S65-L68 PolarHBondContact OG-N 3.06Å; L68-L70 PolarHBondContact O-N 3.31Å; L68-L71 PolarHBondContact O-N 3.46Å; L68-Q72 HydrophobicContact CD1-CG 3.84Å; L68-Q72 HydrophobicContact CG-CG 4.23Å; L68-Q72 WeakPolarHBondContact O-CB 3.28Å; L68-Q72 VanDerWaalsContact O-CG 3.27Å; L68-Q72 WeakPolarHBondContact O-CG 3.15Å; L68-Q72 PolarHBondContact O-N 3.12Å
69I98.7Very high98.2Very high0 Ų064.6 Ų64.60%031%0.311CS..Hα-helixtrans-58.1-47.3175.1-70.9167.5000111L61 S65 W66 Y67 Q72 A73 K207 Y211 L214L61-I69 HydrophobicContact CB-CG1 4.45Å; S65-I69 WeakPolarHBondContact O-CG1 3.48Å; S65-I69 PolarHBondContact O-N 3.33Å; W66-I69 HydrophobicContact CD2-CD1 4.5Å; W66-I69 HydrophobicContact CE3-CD1 3.99Å; W66-I69 HydrophobicContact CE3-CG2 4.36Å; W66-I69 HydrophobicContact CZ3-CD1 4.28Å; W66-I69 PolarHBondContact O-N 3.37Å; Y67-I69 VanDerWaalsContact C-N 3.33Å; Y67-I69 PolarHBondContact O-N 2.89Å; I69-Q72 PolarHBondContact O-N 2.98Å; I69-A73 WeakPolarHBondContact O-CB 3.33Å; I69-A73 PolarHBondContact O-N 3.39Å; I69-K207 HydrophobicContact CD1-CB 3.71Å; I69-K207 HydrophobicContact CD1-CD 4Å; I69-K207 HydrophobicContact CD1-CG 3.83Å; I69-Y211 HydrophobicContact CG2-CD2 4.41Å; I69-L214 HydrophobicContact CG2-CD1 4.01Å
70L98.4Very high98.2Very high83 Ų8360.8 Ų60.844%0.43530%0.298SS..Hα-helixtrans-63.9-44.8179.5-74.2167000112.2W66 Y67 L68 A73 Y74 L214W66-L70 WeakPolarHBondContact O-CG 3.16Å; W66-L70 PolarHBondContact O-N 3.2Å; Y67-L70 PolarHBondContact O-N 3.04Å; L68-L70 PolarHBondContact O-N 3.31Å; L70-A73 PolarHBondContact O-N 3.41Å; L70-Y74 PolarHBondContact O-N 2.88Å; L70-L214 HydrophobicContact CD2-CD1 3.89Å; L70-L214 HydrophobicContact CD2-CD2 4.23Å
71L98.3Very high98.2Very high62 Ų6255.9 Ų55.933%0.32527%0.272SS..Hα-helixtrans-61.7-47.6177.1-71.4-178.4000111.6Y67 L68 A73 Y74 F75Y67-L71 HydrophobicContact CD1-CD1 3.98Å; Y67-L71 HydrophobicContact CE1-CD1 3.35Å; Y67-L71 HydrophobicContact CE1-CG 4.19Å; Y67-L71 HydrophobicContact CE2-CD1 4.32Å; Y67-L71 HydrophobicContact CE2-CG 4.39Å; Y67-L71 WeakPolarHBondContact O-CG 3.48Å; Y67-L71 PolarHBondContact O-N 3.47Å; L68-L71 PolarHBondContact O-N 3.46Å; L71-A73 VanDerWaalsContact C-N 3.35Å; L71-Y74 PolarHBondContact O-N 3.41Å; L71-F75 HydrophobicContact CD2-CD2 4.33Å; L71-F75 HydrophobicContact CD2-CE2 3.98Å; L71-F75 VanDerWaalsContact O-CD2 3.32Å; L71-F75 WeakPolarHBondContact O-CD2 3.33Å; L71-F75 PolarHBondContact O-N 2.98Å
72Q98.4Very high98.2Very high70 Ų7055.1 Ų55.133%0.32727%0.269SS..Hα-helixtrans-68-36.4179.8-68.3-65.6-16.900111.8L61 L68 I69 Y74 A76 G77 Y211L61-Q72 HydrophobicContact CD1-CB 3.73Å; L61-Q72 HydrophobicContact CD1-CG 4.18Å; L61-Q72 HydrophobicContact CD2-CG 4.12Å; L68-Q72 HydrophobicContact CD1-CG 3.84Å; L68-Q72 HydrophobicContact CG-CG 4.23Å; L68-Q72 WeakPolarHBondContact O-CB 3.28Å; L68-Q72 VanDerWaalsContact O-CG 3.27Å; L68-Q72 WeakPolarHBondContact O-CG 3.15Å; L68-Q72 PolarHBondContact O-N 3.12Å; I69-Q72 PolarHBondContact O-N 2.98Å; Q72-Y74 VanDerWaalsContact C-N 3.28Å; Q72-Y74 PolarHBondContact O-N 2.86Å; Q72-A76 PolarHBondContact O-N 3.22Å; Q72-A76 VanDerWaalsContact O-N 3.1Å; Q72-G77 PolarHBondContact O-N 3.21Å; Q72-Y211 HydrophobicContact CB-CE2 4.06Å
73A98.5Very high98.3Very high0 Ų052.7 Ų52.70%026%0.259CS..Hα-helixtrans-64.8-32.8176.200000112.3I69 L70 L71 G78 Y211 L214 L218I69-A73 WeakPolarHBondContact O-CB 3.33Å; I69-A73 PolarHBondContact O-N 3.39Å; L70-A73 PolarHBondContact O-N 3.41Å; L71-A73 VanDerWaalsContact C-N 3.35Å; A73-G78 WeakPolarHBondContact O-CA 3.44Å; A73-G78 PolarHBondContact O-N 3.31Å; A73-Y211 HydrophobicContact CB-CD2 4.06Å; A73-Y211 HydrophobicContact CB-CE2 4.26Å; A73-L214 HydrophobicContact CB-CB 3.76Å; A73-L218 HydrophobicContact CB-CD1 4.21Å
74Y98.4Very high98.3Very high66 Ų6646.9 Ų46.926%0.25923%0.228SC..Hα-helixtrans-82-54.9176.3-169.1-92.1000112.2L70 L71 Q72 L218 V222 H223L70-Y74 PolarHBondContact O-N 2.88Å; L71-Y74 PolarHBondContact O-N 3.41Å; Q72-Y74 VanDerWaalsContact C-N 3.28Å; Q72-Y74 PolarHBondContact O-N 2.86Å; Y74-L218 HydrophobicContact CD2-CB 4.15Å; Y74-L218 HydrophobicContact CD2-CD1 4.47Å; Y74-V222 WeakPolarHBondContact CE2-O 3.4Å; Y74-V222 PolarHBondContact OH-O 3.08Å; Y74-H223 AromaticContact CE1-CD2 3.99Å; Y74-H223 HydrophobicContact CE2-CB 4.39Å; Y74-H223 AromaticContact CE2-CD2 3.79Å; Y74-H223 AromaticContact CZ-CD2 3.72Å; Y74-H223 PolarHBondContact O-NE2 3.41Å
75F97.6Very high98.4Very high147 Ų14746.2 Ų46.265%0.64522%0.223SC*.Hα-helixtrans-85.3-25.1-166.5-70.2-72.8000115.3L71L71-F75 HydrophobicContact CD2-CD2 4.33Å; L71-F75 HydrophobicContact CD2-CE2 3.98Å; L71-F75 VanDerWaalsContact O-CD2 3.32Å; L71-F75 WeakPolarHBondContact O-CD2 3.33Å; L71-F75 PolarHBondContact O-N 2.98Å
76A97.4Very high98.4Very high27 Ų2743.4 Ų43.422%0.22320%0.203CC..THydrogen-bonded Turntrans-119.4-64.8-17700000111.5F57 Q72 G78 V79 L80F57-A76 HydrophobicContact CE2-CB 4.3Å; Q72-A76 PolarHBondContact O-N 3.22Å; Q72-A76 VanDerWaalsContact O-N 3.1Å; A76-G78 VanDerWaalsContact C-N 3.29Å; A76-G78 PolarHBondContact O-N 2.9Å; A76-V79 PolarHBondContact O-N 3.14Å; A76-L80 PolarHBondContact O-N 3.48Å
77G98.4Very high98.4Very high0 Ų037.3 Ų37.30%018%0.18CC..Hα-helixtrans-65.1-32.6-17800000113.2Q54 Q72 L80 N81 Y211 C215Q54-G77 PolarHBondContact NE2-O 2.8Å; Q72-G77 PolarHBondContact O-N 3.21Å; G77-L80 PolarHBondContact O-N 3.44Å; G77-N81 WeakPolarHBondContact O-CB 3.33Å; G77-N81 PolarHBondContact O-N 3.34Å; G77-Y211 VanDerWaalsContact CA-OH 3.27Å; G77-Y211 WeakPolarHBondContact CA-OH 3.25Å; G77-C215 VanDerWaalsContact C-SG 3.53Å; G77-C215 VanDerWaalsContact CA-SG 3.55Å
78G98.2Very high98.4Very high0 Ų029.5 Ų29.50%015%0.149CC..Hα-helixtrans-63.2-44.9176.100000112.1A73 A76 L80 N81 H82 S219A73-G78 WeakPolarHBondContact O-CA 3.44Å; A73-G78 PolarHBondContact O-N 3.31Å; A76-G78 VanDerWaalsContact C-N 3.29Å; A76-G78 PolarHBondContact O-N 2.9Å; G78-L80 PolarHBondContact O-N 3.44Å; G78-N81 PolarHBondContact O-N 3.17Å; G78-H82 VanDerWaalsContact O-CB 3.26Å; G78-H82 WeakPolarHBondContact O-CB 3.22Å; G78-H82 PolarHBondContact O-N 3.06Å; G78-S219 WeakPolarHBondContact O-CB 3.15Å; G78-S219 PolarHBondContact O-OG 2.85Å; G78-S219 VanDerWaalsContact O-OG 3.09Å
79V98.4Very high98.4Very high39 Ų3927 Ų2724%0.23614%0.136CC..Hα-helixtrans-60.3-45.9175.2-1780000110.6A76 H82 S83 V252A76-V79 PolarHBondContact O-N 3.14Å; V79-H82 PolarHBondContact O-N 3.07Å; V79-S83 WeakPolarHBondContact O-CB 3.33Å; V79-S83 PolarHBondContact O-N 3.47Å; V79-V252 HydrophobicContact CG1-CB 4.04Å; V79-V252 HydrophobicContact CG1-CG1 4.15Å; V79-V252 HydrophobicContact CG1-CG2 4.01Å
80L98.5Very high98.4Very high36 Ų3627.3 Ų27.319%0.18814%0.137CC..Hα-helixtrans-64.8-45.7178-72.8178.5000112.7M50 T53 Q54 F57 A76 G77 G78 H82 S83 L84M50-L80 HydrophobicContact CG-CD2 4.05Å; M50-L80 HydrophobicContact SD-CD2 4.34Å; T53-L80 HydrophobicContact CG2-CD1 3.63Å; Q54-L80 HydrophobicContact CG-CB 4.01Å; Q54-L80 HydrophobicContact CG-CD1 4.24Å; F57-L80 HydrophobicContact CD2-CD1 4.19Å; F57-L80 HydrophobicContact CE2-CD1 3.81Å; A76-L80 PolarHBondContact O-N 3.48Å; G77-L80 PolarHBondContact O-N 3.44Å; G78-L80 PolarHBondContact O-N 3.44Å; L80-H82 VanDerWaalsContact C-N 3.33Å; L80-H82 PolarHBondContact O-N 3.1Å; L80-S83 WeakPolarHBondContact O-CB 3.36Å; L80-S83 PolarHBondContact O-N 2.76Å; L80-L84 WeakPolarHBondContact O-CG 3.22Å; L80-L84 PolarHBondContact O-N 3.45Å
81N98.5Very high98.4Very high0 Ų023.3 Ų23.30%012%0.116CC..Hα-helixtrans-66-37.3178.4-90.226000112Q54 G77 G78 S83 L84 T85 P115 L212 C215 S216Q54-N81 PolarHBondContact NE2-OD1 3.4Å; G77-N81 WeakPolarHBondContact O-CB 3.33Å; G77-N81 PolarHBondContact O-N 3.34Å; G78-N81 PolarHBondContact O-N 3.17Å; N81-S83 VanDerWaalsContact C-N 3.35Å; N81-L84 WeakPolarHBondContact O-CB 3.35Å; N81-L84 PolarHBondContact O-N 2.98Å; N81-T85 WeakPolarHBondContact O-CG2 3.38Å; N81-T85 PolarHBondContact O-N 2.82Å; N81-P115 PolarHBondContact ND2-O 3.37Å; N81-L212 PolarHBondContact ND2-O 2.88Å; N81-C215 HydrophobicContact CB-CB 3.97Å; N81-C215 WeakPolarHBondContact ND2-CB 3.37Å; N81-S216 PolarHBondContact ND2-OG 3.33Å
82H98.4Very high98.4Very high0 Ų020.4 Ų20.40%010%0.101CC..Hα-helixtrans-67.1-38.8173.7-169.293.8000111.5G78 V79 L80 L84 T85 L86 S219 T225 H228G78-H82 VanDerWaalsContact O-CB 3.26Å; G78-H82 WeakPolarHBondContact O-CB 3.22Å; G78-H82 PolarHBondContact O-N 3.06Å; V79-H82 PolarHBondContact O-N 3.07Å; L80-H82 VanDerWaalsContact C-N 3.33Å; L80-H82 PolarHBondContact O-N 3.1Å; H82-L84 VanDerWaalsContact C-N 3.32Å; H82-L84 PolarHBondContact O-N 3.43Å; H82-T85 PolarHBondContact O-N 3.39Å; H82-T85 PolarHBondContact O-OG1 3.19Å; H82-L86 PolarHBondContact O-N 3.07Å; H82-S219 PolarHBondContact ND1-O 3.43Å; H82-T225 WeakPolarHBondContact CD2-CB 3.07Å; H82-T225 PolarHBondContact CD2-OG1 3.29Å; H82-T225 PolarHBondContact ND1-OG1 3.5Å; H82-T225 WeakPolarHBondContact NE2-CB 3.28Å; H82-T225 PolarHBondContact NE2-O 3.46Å; H82-H228 AromaticContact CE1-CD2 3.4Å; H82-H228 PolarHBondContact CE1-CD2 3.06Å; H82-H228 VanDerWaalsContact CE1-CD2 3.4Å; H82-H228 AromaticContact CE1-NE2 3.22Å; H82-H228 PolarHBondContact CE1-NE2 3.1Å; H82-H228 AromaticContact NE2-CD2 3.14Å; H82-H228 PolarHBondContact NE2-CD2 3.08Å; H82-H228 AromaticContact NE2-NE2 3.22Å; H82-H228 PolarHBondContact NE2-NE2 2.93Å
83S98.7Very high98.4Very high7 Ų717.5 Ų17.55%0.0499%0.087CC..Hα-helixtrans-60.6-43.4171.5-162.10000111.2M50 V79 L80 N81 T85 L86 A87 V252 F254M50-S83 PolarHBondContact SD-OG 3.48Å; M50-S83 VanDerWaalsContact SD-OG 3.39Å; V79-S83 WeakPolarHBondContact O-CB 3.33Å; V79-S83 PolarHBondContact O-N 3.47Å; L80-S83 WeakPolarHBondContact O-CB 3.36Å; L80-S83 PolarHBondContact O-N 2.76Å; N81-S83 VanDerWaalsContact C-N 3.35Å; S83-T85 VanDerWaalsContact C-N 3.28Å; S83-T85 PolarHBondContact O-N 3.11Å; S83-L86 CarbonylContact O-C 3.52Å; S83-L86 PolarHBondContact O-N 3.42Å; S83-L86 VanDerWaalsContact O-N 3.1Å; S83-A87 PolarHBondContact O-N 3.01Å; S83-V252 WeakPolarHBondContact CB-O 3.45Å; S83-V252 PolarHBondContact OG-O 3.09Å; S83-F254 WeakPolarHBondContact O-CE2 3.34Å; S83-F254 WeakPolarHBondContact OG-CE2 3.4Å
84L98.8Very high98.3Very high0 Ų018.2 Ų18.20%09%0.091CC..Hα-helixtrans-62.5-32175.5-74.7166.4000112.9V47 M50 V51 Q54 L80 N81 H82 L86 A87 I88 A112 P115 I116V47-L84 HydrophobicContact CG1-CD2 4.23Å; M50-L84 HydrophobicContact CB-CD1 4.44Å; M50-L84 HydrophobicContact CB-CD2 3.91Å; M50-L84 HydrophobicContact CB-CG 4.12Å; M50-L84 HydrophobicContact CE-CD2 3.83Å; M50-L84 HydrophobicContact CE-CG 4.17Å; V51-L84 HydrophobicContact CG2-CD2 3.81Å; Q54-L84 HydrophobicContact CG-CD1 4.29Å; L80-L84 WeakPolarHBondContact O-CG 3.22Å; L80-L84 PolarHBondContact O-N 3.45Å; N81-L84 WeakPolarHBondContact O-CB 3.35Å; N81-L84 PolarHBondContact O-N 2.98Å; H82-L84 VanDerWaalsContact C-N 3.32Å; H82-L84 PolarHBondContact O-N 3.43Å; L84-L86 VanDerWaalsContact C-N 3.31Å; L84-A87 WeakPolarHBondContact O-CB 3.45Å; L84-A87 PolarHBondContact O-N 3.11Å; L84-I88 WeakPolarHBondContact O-CG1 3.27Å; L84-I88 PolarHBondContact O-N 3.2Å; L84-A112 HydrophobicContact CD2-CB 4.42Å; L84-P115 HydrophobicContact CD1-CB 3.99Å; L84-P115 HydrophobicContact CD1-CG 3.8Å; L84-I116 HydrophobicContact CB-CD1 4.18Å
85T98.5Very high98.3Very high11 Ų1115.4 Ų15.47%0.0678%0.081CC..Hα-helixtrans-67-37174.463.90000111.5N81 H82 S83 I88 H89 I116 Y120 L220N81-T85 WeakPolarHBondContact O-CG2 3.38Å; N81-T85 PolarHBondContact O-N 2.82Å; H82-T85 PolarHBondContact O-N 3.39Å; H82-T85 PolarHBondContact O-OG1 3.19Å; S83-T85 VanDerWaalsContact C-N 3.28Å; S83-T85 PolarHBondContact O-N 3.11Å; T85-I88 WeakPolarHBondContact O-CB 3.2Å; T85-I88 PolarHBondContact O-N 2.81Å; T85-H89 PolarHBondContact O-N 3.44Å; T85-I116 HydrophobicContact CG2-CD1 3.71Å; T85-I116 HydrophobicContact CG2-CG1 4.44Å; T85-Y120 WeakPolarHBondContact CA-OH 3.44Å; T85-Y120 WeakPolarHBondContact CB-OH 3.3Å; T85-Y120 VanDerWaalsContact CG2-OH 3.24Å; T85-Y120 WeakPolarHBondContact CG2-OH 3.43Å; T85-L220 HydrophobicContact CG2-CD1 4.24Å; T85-L220 HydrophobicContact CG2-CD2 4Å
86L98.5Very high98.3Very high7 Ų78.8 Ų8.84%0.0375%0.053CC..Hα-helixtrans-77.7-26.2174.9-64.2178.4000113.4H82 S83 L84 I88 H89 E90 T253 F254 V256H82-L86 PolarHBondContact O-N 3.07Å; S83-L86 CarbonylContact O-C 3.52Å; S83-L86 PolarHBondContact O-N 3.42Å; S83-L86 VanDerWaalsContact O-N 3.1Å; L84-L86 VanDerWaalsContact C-N 3.31Å; L86-I88 VanDerWaalsContact C-N 3.33Å; L86-H89 VanDerWaalsContact O-CB 3.3Å; L86-H89 WeakPolarHBondContact O-CB 3.38Å; L86-H89 PolarHBondContact O-N 3.25Å; L86-E90 PolarHBondContact O-N 3.15Å; L86-T253 HydrophobicContact CD1-CG2 3.39Å; L86-F254 HydrophobicContact CB-CD2 4.26Å; L86-V256 HydrophobicContact CD1-CB 4.24Å; L86-V256 HydrophobicContact CD1-CG1 3.63Å; L86-V256 HydrophobicContact CD2-CB 4.31Å; L86-V256 HydrophobicContact CD2-CG1 4.21Å; L86-V256 HydrophobicContact CD2-CG2 4.08Å
87A98.8Very high98.3Very high0 Ų010 Ų100%05%0.053CC..Hα-helixtrans-62.8-43165.800000110.7F43 V47 M50 S83 L84 H89 E90 I91 F254F43-A87 HydrophobicContact CE2-CB 4.25Å; F43-A87 HydrophobicContact CZ-CB 4.01Å; V47-A87 HydrophobicContact CG1-CB 4.39Å; V47-A87 HydrophobicContact CG2-CB 3.54Å; M50-A87 HydrophobicContact CE-CB 4.4Å; S83-A87 PolarHBondContact O-N 3.01Å; L84-A87 WeakPolarHBondContact O-CB 3.45Å; L84-A87 PolarHBondContact O-N 3.11Å; A87-H89 VanDerWaalsContact C-N 3.26Å; A87-H89 PolarHBondContact O-N 3.42Å; A87-E90 PolarHBondContact O-N 2.85Å; A87-I91 WeakPolarHBondContact O-CB 3.42Å; A87-I91 WeakPolarHBondContact O-CD1 3.48Å; A87-I91 WeakPolarHBondContact O-CG1 3.45Å; A87-I91 PolarHBondContact O-N 3.09Å; A87-F254 HydrophobicContact CB-CE2 3.86Å; A87-F254 HydrophobicContact CB-CZ 4.37Å
88I98.9Very high98.3Very high1 Ų110.6 Ų10.61%0.0056%0.059CC..Hα-helixtrans-61.7-36.5174.6-72.7165.5000111.2L84 T85 L86 I91 S92 A112 N113 I116 Y120 F124L84-I88 WeakPolarHBondContact O-CG1 3.27Å; L84-I88 PolarHBondContact O-N 3.2Å; T85-I88 WeakPolarHBondContact O-CB 3.2Å; T85-I88 PolarHBondContact O-N 2.81Å; L86-I88 VanDerWaalsContact C-N 3.33Å; I88-I91 PolarHBondContact O-N 3.19Å; I88-S92 WeakPolarHBondContact O-CB 3.01Å; I88-S92 PolarHBondContact O-N 3.34Å; I88-A112 HydrophobicContact CG1-CB 4.01Å; I88-N113 HydrophobicContact CD1-CB 3.9Å; I88-I116 HydrophobicContact CD1-CD1 3.63Å; I88-Y120 HydrophobicContact CD1-CE1 3.75Å; I88-Y120 WeakPolarHBondContact CD1-OH 3.35Å; I88-Y120 HydrophobicContact CG2-CE2 4.29Å; I88-F124 HydrophobicContact CG2-CB 4.49Å; I88-F124 HydrophobicContact CG2-CD1 4.14Å; I88-F124 HydrophobicContact CG2-CG 4.45Å
89H98.5Very high98.1Very high11 Ų1115.6 Ų15.65%0.0518%0.082CC..Hα-helixtrans-57-56.2170.4165.8-84.4000112.4T85 L86 A87 I91 S92 H93 F124 H128 H262T85-H89 PolarHBondContact O-N 3.44Å; L86-H89 VanDerWaalsContact O-CB 3.3Å; L86-H89 WeakPolarHBondContact O-CB 3.38Å; L86-H89 PolarHBondContact O-N 3.25Å; A87-H89 VanDerWaalsContact C-N 3.26Å; A87-H89 PolarHBondContact O-N 3.42Å; H89-I91 VanDerWaalsContact C-N 3.3Å; H89-I91 PolarHBondContact O-N 3.21Å; H89-S92 WeakPolarHBondContact O-CA 3.42Å; H89-S92 VanDerWaalsContact O-CB 3.23Å; H89-S92 WeakPolarHBondContact O-CB 3.3Å; H89-S92 PolarHBondContact O-N 3.21Å; H89-S92 PolarHBondContact O-OG 3.27Å; H89-H93 PolarHBondContact O-N 3.43Å; H89-F124 HydrophobicContact CB-CE1 4.04Å; H89-F124 HydrophobicContact CB-CZ 4.23Å; H89-H128 AromaticContact CD2-CE1 3.24Å; H89-H128 PolarHBondContact CD2-CE1 2.94Å; H89-H128 AromaticContact CD2-NE2 3.16Å; H89-H128 PolarHBondContact CD2-NE2 2.9Å; H89-H128 AromaticContact NE2-CE1 3.36Å; H89-H128 PolarHBondContact NE2-CE1 2.98Å; H89-H128 AromaticContact NE2-NE2 3.28Å; H89-H128 PolarHBondContact NE2-NE2 3.28Å; H89-H262 AromaticContact CE1-CD2 3.63Å; H89-H262 AromaticContact CE1-CE1 3.5Å; H89-H262 PolarHBondContact CE1-CE1 3.29Å; H89-H262 VanDerWaalsContact CE1-CE1 3.5Å; H89-H262 AromaticContact CE1-NE2 3.12Å; H89-H262 PolarHBondContact CE1-NE2 3.41Å; H89-H262 AromaticContact NE2-CD2 3.75Å; H89-H262 AromaticContact NE2-NE2 3.29Å; H89-H262 PolarHBondContact NE2-NE2 3.43Å
90E98.2Very high98Very high6 Ų618.4 Ų18.43%0.02811%0.11CC..Hα-helixtrans-59-42.1177-69.6-66.5111.300111.7F43 L86 A87 S92 H93 M95 F254 G270F43-E90 HydrophobicContact CE1-CB 4.38Å; F43-E90 HydrophobicContact CE2-CB 3.93Å; F43-E90 HydrophobicContact CE2-CG 4.17Å; F43-E90 HydrophobicContact CZ-CB 3.61Å; F43-E90 HydrophobicContact CZ-CG 4.36Å; L86-E90 PolarHBondContact O-N 3.15Å; A87-E90 PolarHBondContact O-N 2.85Å; E90-S92 PolarHBondContact O-N 3.29Å; E90-H93 PolarHBondContact O-N 2.79Å; E90-M95 HydrophobicContact CB-CB 4.44Å; E90-M95 VanDerWaalsContact O-CB 3.32Å; E90-M95 WeakPolarHBondContact O-CB 3.5Å; E90-M95 PolarHBondContact O-N 3.27Å; E90-M95 VanDerWaalsContact O-N 3.14Å; E90-F254 HydrophobicContact CG-CB 4.35Å; E90-G270 PolarHBondContact OE2-N 2.9Å
91I98.7Very high97.9Very high0 Ų024 Ų240%013%0.128CC..Hα-helixtrans-61.3-34.9176.2-67.9162.3000110.4F43 A87 I88 H89 H93 N94 A96 N105 R106 F108 A112F43-I91 HydrophobicContact CE1-CD1 4.3Å; F43-I91 HydrophobicContact CE1-CG1 3.69Å; F43-I91 HydrophobicContact CZ-CD1 4.44Å; F43-I91 HydrophobicContact CZ-CG1 3.98Å; A87-I91 WeakPolarHBondContact O-CB 3.42Å; A87-I91 WeakPolarHBondContact O-CD1 3.48Å; A87-I91 WeakPolarHBondContact O-CG1 3.45Å; A87-I91 PolarHBondContact O-N 3.09Å; I88-I91 PolarHBondContact O-N 3.19Å; H89-I91 VanDerWaalsContact C-N 3.3Å; H89-I91 PolarHBondContact O-N 3.21Å; I91-H93 PolarHBondContact O-N 2.78Å; I91-N94 VanDerWaalsContact O-CA 3.28Å; I91-N94 WeakPolarHBondContact O-CA 3.43Å; I91-N94 PolarHBondContact O-N 3.36Å; I91-A96 HydrophobicContact CG1-CB 4.05Å; I91-N105 HydrophobicContact CG2-CB 4.29Å; I91-N105 WeakPolarHBondContact CG2-O 3.03Å; I91-R106 PolarHBondContact O-NH2 2.99Å; I91-F108 HydrophobicContact CD1-CD1 3.61Å; I91-F108 HydrophobicContact CD1-CE1 3.95Å; I91-F108 HydrophobicContact CG1-CD1 4.09Å; I91-A112 HydrophobicContact CD1-CB 3.97Å
92S98.3Very high97.7Very high0 Ų027.2 Ų27.20%015%0.149CC..Hα-helixtrans-61.9-31.5179.2870000112.5I88 H89 E90 N94 K125 H128I88-S92 WeakPolarHBondContact O-CB 3.01Å; I88-S92 PolarHBondContact O-N 3.34Å; H89-S92 WeakPolarHBondContact O-CA 3.42Å; H89-S92 VanDerWaalsContact O-CB 3.23Å; H89-S92 WeakPolarHBondContact O-CB 3.3Å; H89-S92 PolarHBondContact O-N 3.21Å; H89-S92 PolarHBondContact O-OG 3.27Å; E90-S92 PolarHBondContact O-N 3.29Å; S92-N94 PolarHBondContact O-N 3.02Å; S92-K125 PolarHBondContact O-NZ 2.89Å; S92-H128 PolarHBondContact OG-CD2 2.98Å
93H97.9Very high97.7Very high9 Ų928.7 Ų28.74%0.04216%0.157CC..THydrogen-bonded Turntrans-79.14.9170.2-68.7-62.6000113.7H89 E90 I91 M95 H99 H128 H132 H262H89-H93 PolarHBondContact O-N 3.43Å; E90-H93 PolarHBondContact O-N 2.79Å; I91-H93 PolarHBondContact O-N 2.78Å; H93-M95 VanDerWaalsContact C-N 3.32Å; H93-M95 HydrophobicContact CB-CG 3.92Å; H93-M95 WeakPolarHBondContact O-CE 3.19Å; H93-H99 PolarHBondContact O-CE1 3.48Å; H93-H128 AromaticContact CD2-NE2 3.88Å; H93-H128 AromaticContact CE1-NE2 3.71Å; H93-H128 AromaticContact NE2-CD2 3.66Å; H93-H128 AromaticContact NE2-NE2 3.01Å; H93-H128 PolarHBondContact NE2-NE2 3.21Å; H93-H132 AromaticContact CE1-CD2 3.41Å; H93-H132 PolarHBondContact CE1-CD2 3.12Å; H93-H132 VanDerWaalsContact CE1-CD2 3.41Å; H93-H132 AromaticContact CE1-CG 3.9Å; H93-H132 AromaticContact CE1-NE2 3.48Å; H93-H132 PolarHBondContact CE1-NE2 3.38Å; H93-H132 AromaticContact NE2-CD2 3.62Å; H93-H132 AromaticContact NE2-CE1 3.92Å; H93-H132 AromaticContact NE2-NE2 3.24Å; H93-H132 PolarHBondContact NE2-NE2 3.09Å; H93-H262 AromaticContact CD2-CE1 3.52Å; H93-H262 AromaticContact CD2-NE2 3.64Å; H93-H262 AromaticContact NE2-CE1 3.52Å; H93-H262 AromaticContact NE2-NE2 3.18Å; H93-H262 PolarHBondContact NE2-NE2 3.1Å; H93-H262 VanDerWaalsContact NE2-NE2 3.18Å
94N97.7Very high97.6Very high16 Ų1631.8 Ų31.89%0.08617%0.173CC..THydrogen-bonded Turntrans65.128.4-174.3-51.1-45000113.8I91 S92 A96 G98 H99 N105 R106 K125I91-N94 VanDerWaalsContact O-CA 3.28Å; I91-N94 WeakPolarHBondContact O-CA 3.43Å; I91-N94 PolarHBondContact O-N 3.36Å; S92-N94 PolarHBondContact O-N 3.02Å; N94-A96 VanDerWaalsContact C-N 3.28Å; N94-A96 PolarHBondContact O-N 3.18Å; N94-G98 CarbonylContact O-C 3.51Å; N94-G98 WeakPolarHBondContact O-CA 3.5Å; N94-G98 PolarHBondContact O-N 3.24Å; N94-H99 PolarHBondContact ND2-ND1 3.17Å; N94-N105 WeakPolarHBondContact CA-OD1 3.07Å; N94-N105 HydrophobicContact CB-CB 4.48Å; N94-N105 PolarHBondContact O-OD1 2.63Å; N94-R106 PolarHBondContact OD1-NH2 3.27Å; N94-K125 PolarHBondContact OD1-NZ 3.48Å
95M97.1Very high97.6Very high7 Ų731.8 Ų31.83%0.03417%0.173CC..THydrogen-bonded Turntrans-81.33.2-176.1-63.3-62.610600114.8L39 E90 H93L39-M95 WeakPolarHBondContact CD2-O 3.41Å; L39-M95 HydrophobicContact CD2-SD 4.45Å; E90-M95 HydrophobicContact CB-CB 4.44Å; E90-M95 VanDerWaalsContact O-CB 3.32Å; E90-M95 WeakPolarHBondContact O-CB 3.5Å; E90-M95 PolarHBondContact O-N 3.27Å; E90-M95 VanDerWaalsContact O-N 3.14Å; H93-M95 VanDerWaalsContact C-N 3.32Å; H93-M95 HydrophobicContact CB-CG 3.92Å; H93-M95 WeakPolarHBondContact O-CE 3.19Å
96A98.1Very high97.6Very high8 Ų831.9 Ų31.97%0.06617%0.172CC..THydrogen-bonded Turntrans-85.2-44.7172.500000112.9F43 T44 I91 N94 N105 F108F43-A96 HydrophobicContact CD1-CB 4.14Å; F43-A96 HydrophobicContact CE1-CB 4.01Å; T44-A96 HydrophobicContact CG2-CB 4.02Å; I91-A96 HydrophobicContact CG1-CB 4.05Å; N94-A96 VanDerWaalsContact C-N 3.28Å; N94-A96 PolarHBondContact O-N 3.18Å; A96-N105 WeakPolarHBondContact CB-OD1 3.05Å; A96-N105 PolarHBondContact N-OD1 2.78Å; A96-N105 VanDerWaalsContact N-OD1 3.12Å; A96-F108 HydrophobicContact CB-CD1 3.77Å; A96-F108 HydrophobicContact CB-CE1 4.21Å
97F98.2Very high97.6Very high53 Ų5335.5 Ų35.523%0.23219%0.187CC..THydrogen-bonded Turntrans-1318.2-176-55.5-81.7000114T44 R101 L104 N105 F108T44-F97 HydrophobicContact CG2-CE1 3.93Å; T44-F97 HydrophobicContact CG2-CE2 4.21Å; T44-F97 HydrophobicContact CG2-CZ 3.73Å; F97-R101 HydrophobicContact CB-CB 4.08Å; F97-L104 HydrophobicContact CB-CB 4.49Å; F97-L104 HydrophobicContact CB-CD2 4.01Å; F97-L104 HydrophobicContact CB-CG 4.32Å; F97-L104 HydrophobicContact CD1-CD2 3.5Å; F97-L104 VanDerWaalsContact CD1-CD2 3.5Å; F97-L104 HydrophobicContact CD1-CG 4.04Å; F97-L104 HydrophobicContact CD2-CB 4.21Å; F97-L104 HydrophobicContact CD2-CD2 4Å; F97-L104 HydrophobicContact CD2-CG 3.61Å; F97-L104 HydrophobicContact CE1-CD2 3.89Å; F97-L104 HydrophobicContact CE1-CG 4.24Å; F97-L104 HydrophobicContact CE2-CD2 4.36Å; F97-L104 HydrophobicContact CE2-CG 3.85Å; F97-L104 HydrophobicContact CG-CB 4.34Å; F97-L104 HydrophobicContact CG-CD2 3.54Å; F97-L104 HydrophobicContact CG-CG 3.7Å; F97-L104 HydrophobicContact CZ-CD2 4.3Å; F97-L104 HydrophobicContact CZ-CG 4.14Å; F97-N105 PolarHBondContact N-OD1 3.38Å; F97-F108 HydrophobicContact CD2-CB 4.4Å; F97-F108 HydrophobicContact CE2-CB 3.51Å; F97-F108 AromaticContact CE2-CD1 3.9Å; F97-F108 HydrophobicContact CE2-CD1 3.9Å; F97-F108 HydrophobicContact CE2-CD2 4.14Å; F97-F108 AromaticContact CE2-CG 3.59Å; F97-F108 HydrophobicContact CE2-CG 3.59Å; F97-F108 HydrophobicContact CZ-CB 4.32Å; F97-F108 HydrophobicContact CZ-CD1 4.47Å; F97-F108 HydrophobicContact CZ-CD2 4.18Å; F97-F108 HydrophobicContact CZ-CG 4.08Å
98G96.7Very high97.6Very high12 Ų1236.5 Ų36.512%0.12419%0.192CC..  trans76.3170.2-179.900000114.2N94 A100 R101 N105N94-G98 CarbonylContact O-C 3.51Å; N94-G98 WeakPolarHBondContact O-CA 3.5Å; N94-G98 PolarHBondContact O-N 3.24Å; G98-A100 PolarHBondContact O-N 3.06Å; G98-R101 PolarHBondContact O-N 3.48Å; G98-N105 PolarHBondContact O-ND2 2.94Å
99H95.3Very high97.6Very high104 Ų10436.5 Ų36.548%0.48119%0.191SC..THydrogen-bonded Turntrans-67.4-20.7-175-66.8-69.2000114.2H93 N94 R101 N267H93-H99 PolarHBondContact O-CE1 3.48Å; N94-H99 PolarHBondContact ND2-ND1 3.17Å; H99-R101 PolarHBondContact O-N 3.43Å; H99-N267 PolarHBondContact CE1-OD1 2.67Å; H99-N267 PolarHBondContact NE2-OD1 2.91Å
100A95.8Very high97.6Very high98 Ų9836 Ų3681%0.8119%0.189SC*.THydrogen-bonded Turntrans-72.8-13.7176.300000113.5G98 P102G98-A100 PolarHBondContact O-N 3.06Å; A100-P102 VanDerWaalsContact C-CD 3.46Å
101R96.3Very high97.7Very high154 Ų15438.9 Ų38.958%0.58120%0.202SC*.  trans-129.560.2-176.7-58.7-176-176176.23111.7F97 G98 H99 L103 L104 N105F97-R101 HydrophobicContact CB-CB 4.08Å; G98-R101 PolarHBondContact O-N 3.48Å; H99-R101 PolarHBondContact O-N 3.43Å; R101-L103 PolarHBondContact O-N 3.28Å; R101-L104 HydrophobicContact CB-CB 4.02Å; R101-L104 PolarHBondContact O-N 3.23Å; R101-N105 PolarHBondContact O-N 2.94Å; R101-N105 PolarHBondContact O-ND2 3.43Å
102P95Very high97.7Very high67 Ų6738.9 Ų38.944%0.43520%0.202SC..Hα-helixtrans-61.9-42.4-173.324.7-33.7000112.4A100 L104 N105 R106A100-P102 VanDerWaalsContact C-CD 3.46Å; P102-L104 PolarHBondContact O-N 3.03Å; P102-N105 WeakPolarHBondContact O-CB 3.47Å; P102-N105 PolarHBondContact O-N 3.31Å; P102-R106 WeakPolarHBondContact O-CG 3.39Å; P102-R106 PolarHBondContact O-N 2.69Å
103L97.1Very high97.7Very high31 Ų3138.9 Ų38.916%0.16220%0.202CC..Hα-helixtrans-63.4-39.3178.3-71.2-179.2000112.6R101 N105 R106 F107 L185 P327 Y331R101-L103 PolarHBondContact O-N 3.28Å; L103-N105 VanDerWaalsContact C-N 3.31Å; L103-N105 PolarHBondContact O-N 2.87Å; L103-R106 WeakPolarHBondContact O-CA 3.42Å; L103-R106 WeakPolarHBondContact O-CB 3.23Å; L103-R106 PolarHBondContact O-N 3.32Å; L103-F107 HydrophobicContact CB-CD2 4.49Å; L103-F107 HydrophobicContact CB-CE2 4.3Å; L103-F107 WeakPolarHBondContact O-CD2 3.45Å; L103-F107 PolarHBondContact O-N 2.95Å; L103-L185 HydrophobicContact CD2-CD1 4.04Å; L103-P327 HydrophobicContact CD2-CB 4.05Å; L103-Y331 HydrophobicContact CD1-CD1 4.15Å; L103-Y331 HydrophobicContact CD1-CD2 3.62Å; L103-Y331 HydrophobicContact CD1-CE2 4.29Å; L103-Y331 HydrophobicContact CD1-CG 3.55Å
104L97.8Very high97.8Very high73 Ų7339.8 Ų39.838%0.38221%0.207SC..Hα-helixtrans-64-39.8177.6-172.157.7000111.2F97 R101 P102 R106 F108F97-L104 HydrophobicContact CB-CB 4.49Å; F97-L104 HydrophobicContact CB-CD2 4.01Å; F97-L104 HydrophobicContact CB-CG 4.32Å; F97-L104 HydrophobicContact CD1-CD2 3.5Å; F97-L104 VanDerWaalsContact CD1-CD2 3.5Å; F97-L104 HydrophobicContact CD1-CG 4.04Å; F97-L104 HydrophobicContact CD2-CB 4.21Å; F97-L104 HydrophobicContact CD2-CD2 4Å; F97-L104 HydrophobicContact CD2-CG 3.61Å; F97-L104 HydrophobicContact CE1-CD2 3.89Å; F97-L104 HydrophobicContact CE1-CG 4.24Å; F97-L104 HydrophobicContact CE2-CD2 4.36Å; F97-L104 HydrophobicContact CE2-CG 3.85Å; F97-L104 HydrophobicContact CG-CB 4.34Å; F97-L104 HydrophobicContact CG-CD2 3.54Å; F97-L104 HydrophobicContact CG-CG 3.7Å; F97-L104 HydrophobicContact CZ-CD2 4.3Å; F97-L104 HydrophobicContact CZ-CG 4.14Å; R101-L104 HydrophobicContact CB-CB 4.02Å; R101-L104 PolarHBondContact O-N 3.23Å; P102-L104 PolarHBondContact O-N 3.03Å; L104-R106 VanDerWaalsContact C-N 3.33Å; L104-R106 PolarHBondContact O-N 2.9Å; L104-F108 WeakPolarHBondContact O-CB 3.18Å; L104-F108 PolarHBondContact O-N 2.75Å
105N98.6Very high97.8Very high0 Ų039 Ų390%020%0.203CC..Hα-helixtrans-61.5-39.9170.5-72.7-86.3000111.7I91 N94 A96 F97 G98 R101 P102 L103 F108 G109I91-N105 HydrophobicContact CG2-CB 4.29Å; I91-N105 WeakPolarHBondContact CG2-O 3.03Å; N94-N105 WeakPolarHBondContact CA-OD1 3.07Å; N94-N105 HydrophobicContact CB-CB 4.48Å; N94-N105 PolarHBondContact O-OD1 2.63Å; A96-N105 WeakPolarHBondContact CB-OD1 3.05Å; A96-N105 PolarHBondContact N-OD1 2.78Å; A96-N105 VanDerWaalsContact N-OD1 3.12Å; F97-N105 PolarHBondContact N-OD1 3.38Å; G98-N105 PolarHBondContact O-ND2 2.94Å; R101-N105 PolarHBondContact O-N 2.94Å; R101-N105 PolarHBondContact O-ND2 3.43Å; P102-N105 WeakPolarHBondContact O-CB 3.47Å; P102-N105 PolarHBondContact O-N 3.31Å; L103-N105 VanDerWaalsContact C-N 3.31Å; L103-N105 PolarHBondContact O-N 2.87Å; N105-F108 PolarHBondContact O-N 2.92Å; N105-G109 PolarHBondContact O-N 3.12Å
106R98.4Very high97.9Very high13 Ų1339 Ų395%0.04920%0.203CC..Hα-helixtrans-63-49.4178.1-64.7-5493.2-135.1-2.1111.9I91 N94 P102 L103 L104 F108 G109 M110 L185I91-R106 PolarHBondContact O-NH2 2.99Å; N94-R106 PolarHBondContact OD1-NH2 3.27Å; P102-R106 WeakPolarHBondContact O-CG 3.39Å; P102-R106 PolarHBondContact O-N 2.69Å; L103-R106 WeakPolarHBondContact O-CA 3.42Å; L103-R106 WeakPolarHBondContact O-CB 3.23Å; L103-R106 PolarHBondContact O-N 3.32Å; L104-R106 VanDerWaalsContact C-N 3.33Å; L104-R106 PolarHBondContact O-N 2.9Å; R106-F108 VanDerWaalsContact C-N 3.34Å; R106-F108 PolarHBondContact O-N 3.18Å; R106-G109 PolarHBondContact O-N 3.06Å; R106-M110 WeakPolarHBondContact O-CG 3.44Å; R106-M110 PolarHBondContact O-N 3.33Å; R106-L185 HydrophobicContact CB-CD1 4Å; R106-L185 HydrophobicContact CG-CD1 3.7Å
107F98.8Very high97.9Very high82 Ų8239.1 Ų39.136%0.3620%0.203SC..Hα-helixtrans-64.7-37.8178.6-70.1-60.8000112.5L103 G109 M110 F111 V188L103-F107 HydrophobicContact CB-CD2 4.49Å; L103-F107 HydrophobicContact CB-CE2 4.3Å; L103-F107 WeakPolarHBondContact O-CD2 3.45Å; L103-F107 PolarHBondContact O-N 2.95Å; F107-G109 VanDerWaalsContact C-N 3.33Å; F107-M110 HydrophobicContact CD1-SD 3.83Å; F107-M110 HydrophobicContact CE1-SD 4.32Å; F107-M110 WeakPolarHBondContact O-CB 3.44Å; F107-M110 PolarHBondContact O-N 3.39Å; F107-F111 PolarHBondContact O-N 3.15Å; F107-V188 HydrophobicContact CE1-CG1 4.2Å
108F98.9Very high97.8Very high22 Ų2241.4 Ų41.410%0.09622%0.217CC..Hα-helixtrans-68.7-33.1174.8-168.4-111.6000112.8T44 V47 I91 A96 F97 L104 N105 R106 F111 A112T44-F108 HydrophobicContact CG2-CE1 4.05Å; T44-F108 HydrophobicContact CG2-CZ 4.19Å; T44-F108 WeakPolarHBondContact O-CZ 3.32Å; V47-F108 HydrophobicContact CB-CE1 3.9Å; V47-F108 HydrophobicContact CB-CZ 3.76Å; V47-F108 HydrophobicContact CG1-CE1 3.72Å; V47-F108 HydrophobicContact CG1-CZ 3.66Å; V47-F108 HydrophobicContact CG2-CE1 4.4Å; I91-F108 HydrophobicContact CD1-CD1 3.61Å; I91-F108 HydrophobicContact CD1-CE1 3.95Å; I91-F108 HydrophobicContact CG1-CD1 4.09Å; A96-F108 HydrophobicContact CB-CD1 3.77Å; A96-F108 HydrophobicContact CB-CE1 4.21Å; F97-F108 HydrophobicContact CD2-CB 4.4Å; F97-F108 HydrophobicContact CE2-CB 3.51Å; F97-F108 AromaticContact CE2-CD1 3.9Å; F97-F108 HydrophobicContact CE2-CD1 3.9Å; F97-F108 HydrophobicContact CE2-CD2 4.14Å; F97-F108 AromaticContact CE2-CG 3.59Å; F97-F108 HydrophobicContact CE2-CG 3.59Å; F97-F108 HydrophobicContact CZ-CB 4.32Å; F97-F108 HydrophobicContact CZ-CD1 4.47Å; F97-F108 HydrophobicContact CZ-CD2 4.18Å; F97-F108 HydrophobicContact CZ-CG 4.08Å; L104-F108 WeakPolarHBondContact O-CB 3.18Å; L104-F108 PolarHBondContact O-N 2.75Å; N105-F108 PolarHBondContact O-N 2.92Å; R106-F108 VanDerWaalsContact C-N 3.34Å; R106-F108 PolarHBondContact O-N 3.18Å; F108-F111 AromaticContact CD2-CD1 3.92Å; F108-F111 HydrophobicContact CD2-CD1 3.92Å; F108-F111 AromaticContact CE2-CD1 3.75Å; F108-F111 HydrophobicContact CE2-CD1 3.75Å; F108-F111 HydrophobicContact CE2-CE1 4.06Å; F108-F111 WeakPolarHBondContact O-CB 3.33Å; F108-F111 PolarHBondContact O-N 3.45Å; F108-A112 WeakPolarHBondContact O-CB 3.35Å; F108-A112 PolarHBondContact O-N 3.31Å
109G98.9Very high97.9Very high0 Ų042.4 Ų42.40%022%0.221CC..Hα-helixtrans-60.9-43.7169.300000112.3N105 R106 F107 F111 A112 N113N105-G109 PolarHBondContact O-N 3.12Å; R106-G109 PolarHBondContact O-N 3.06Å; F107-G109 VanDerWaalsContact C-N 3.33Å; G109-F111 VanDerWaalsContact C-N 3.31Å; G109-F111 PolarHBondContact O-N 3.19Å; G109-A112 PolarHBondContact O-N 2.96Å; G109-N113 VanDerWaalsContact O-CB 3.32Å; G109-N113 WeakPolarHBondContact O-CB 3.43Å; G109-N113 PolarHBondContact O-N 3.22Å
110M98.9Very high98Very high2 Ų240.1 Ų40.11%0.0121%0.209CC..Hα-helixtrans-63.4-37.2174.7-62.1166.7-174.100112R106 F107 N113 L114 S121 V122 L185 V188 N189 L192R106-M110 WeakPolarHBondContact O-CG 3.44Å; R106-M110 PolarHBondContact O-N 3.33Å; F107-M110 HydrophobicContact CD1-SD 3.83Å; F107-M110 HydrophobicContact CE1-SD 4.32Å; F107-M110 WeakPolarHBondContact O-CB 3.44Å; F107-M110 PolarHBondContact O-N 3.39Å; M110-N113 WeakPolarHBondContact O-CB 3.26Å; M110-N113 PolarHBondContact O-N 3.33Å; M110-L114 PolarHBondContact O-N 3.45Å; M110-S121 PolarHBondContact N-OG 3.47Å; M110-V122 HydrophobicContact CE-CG2 3.48Å; M110-V122 VanDerWaalsContact CE-CG2 3.48Å; M110-V122 HydrophobicContact CG-CG2 4.34Å; M110-L185 HydrophobicContact CE-CB 4.01Å; M110-L185 HydrophobicContact CE-CD2 4.08Å; M110-L185 VanDerWaalsContact CE-O 3.26Å; M110-L185 WeakPolarHBondContact CE-O 3.31Å; M110-V188 HydrophobicContact CE-CB 4.28Å; M110-V188 HydrophobicContact CE-CG1 4.19Å; M110-V188 HydrophobicContact SD-CG1 3.94Å; M110-N189 HydrophobicContact CE-CB 4.17Å; M110-N189 HydrophobicContact CG-CB 4.02Å; M110-N189 HydrophobicContact SD-CB 4.44Å; M110-L192 HydrophobicContact CB-CD1 4.25Å; M110-L192 HydrophobicContact SD-CD1 3.81Å
111F98.9Very high98.1Very high65 Ų6535.5 Ų35.529%0.28517%0.17SC..Hα-helixtrans-65.9-46.5174.1168.8-103.1000112.2T48 V51 F107 F108 G109 N113 L114T48-F111 HydrophobicContact CG2-CE1 4.25Å; T48-F111 HydrophobicContact CG2-CZ 4.12Å; V51-F111 HydrophobicContact CB-CE1 4.08Å; V51-F111 HydrophobicContact CB-CE2 4.39Å; V51-F111 HydrophobicContact CB-CZ 3.79Å; V51-F111 HydrophobicContact CG1-CD2 4.46Å; V51-F111 HydrophobicContact CG1-CE1 4.31Å; V51-F111 HydrophobicContact CG1-CE2 3.76Å; V51-F111 HydrophobicContact CG1-CZ 3.66Å; V51-F111 HydrophobicContact CG2-CD1 4.34Å; V51-F111 HydrophobicContact CG2-CE1 3.92Å; V51-F111 HydrophobicContact CG2-CZ 4.12Å; F107-F111 PolarHBondContact O-N 3.15Å; F108-F111 AromaticContact CD2-CD1 3.92Å; F108-F111 HydrophobicContact CD2-CD1 3.92Å; F108-F111 AromaticContact CE2-CD1 3.75Å; F108-F111 HydrophobicContact CE2-CD1 3.75Å; F108-F111 HydrophobicContact CE2-CE1 4.06Å; F108-F111 WeakPolarHBondContact O-CB 3.33Å; F108-F111 PolarHBondContact O-N 3.45Å; G109-F111 VanDerWaalsContact C-N 3.31Å; G109-F111 PolarHBondContact O-N 3.19Å; F111-N113 PolarHBondContact O-N 2.86Å; F111-L114 HydrophobicContact CD2-CD1 4Å; F111-L114 WeakPolarHBondContact O-CG 3.42Å; F111-L114 PolarHBondContact O-N 3.28Å
112A98.9Very high98.2Very high0 Ų028.7 Ų28.70%015%0.146CC..Hα-helixtrans-60.8-26.4173.800000112.5V47 L84 I88 I91 F108 G109V47-A112 HydrophobicContact CG1-CB 3.66Å; L84-A112 HydrophobicContact CD2-CB 4.42Å; I88-A112 HydrophobicContact CG1-CB 4.01Å; I91-A112 HydrophobicContact CD1-CB 3.97Å; F108-A112 WeakPolarHBondContact O-CB 3.35Å; F108-A112 PolarHBondContact O-N 3.31Å; G109-A112 PolarHBondContact O-N 2.96Å
113N98.9Very high98.3Very high0 Ų027.1 Ų27.10%014%0.136CC..Hα-helixtrans-74.8-22179.3-162.7115.7000113.6I88 G109 M110 F111 I116 L118 Y120 S121 Q193I88-N113 HydrophobicContact CD1-CB 3.9Å; G109-N113 VanDerWaalsContact O-CB 3.32Å; G109-N113 WeakPolarHBondContact O-CB 3.43Å; G109-N113 PolarHBondContact O-N 3.22Å; M110-N113 WeakPolarHBondContact O-CB 3.26Å; M110-N113 PolarHBondContact O-N 3.33Å; F111-N113 PolarHBondContact O-N 2.86Å; N113-I116 WeakPolarHBondContact O-CB 3.47Å; N113-I116 PolarHBondContact O-N 3.26Å; N113-L118 PolarHBondContact ND2-O 2.83Å; N113-Y120 WeakPolarHBondContact OD1-CD1 3.42Å; N113-Y120 WeakPolarHBondContact OD1-CE1 3.37Å; N113-Y120 PolarHBondContact OD1-N 3.03Å; N113-Y120 VanDerWaalsContact OD1-N 3.12Å; N113-S121 WeakPolarHBondContact OD1-CB 3.47Å; N113-S121 PolarHBondContact OD1-N 3.32Å; N113-Q193 PolarHBondContact ND2-OE1 2.64Å; N113-Q193 PolarHBondContact O-OE1 2.93Å
114L98.9Very high98.4Very high29 Ų2927 Ų2715%0.15214%0.135CC..G310 helixtrans-52.9-47.8-169.6-60.8177.2000113.5M110 F111 I116 V117 Q193 F196M110-L114 PolarHBondContact O-N 3.45Å; F111-L114 HydrophobicContact CD2-CD1 4Å; F111-L114 WeakPolarHBondContact O-CG 3.42Å; F111-L114 PolarHBondContact O-N 3.28Å; L114-I116 PolarHBondContact O-N 2.9Å; L114-I116 VanDerWaalsContact O-N 3.12Å; L114-V117 PolarHBondContact O-N 3.31Å; L114-Q193 PolarHBondContact O-NE2 3.42Å; L114-F196 HydrophobicContact CB-CD1 3.92Å; L114-F196 HydrophobicContact CB-CD2 3.87Å; L114-F196 HydrophobicContact CB-CE1 3.97Å; L114-F196 HydrophobicContact CB-CE2 3.91Å; L114-F196 HydrophobicContact CB-CG 3.87Å; L114-F196 HydrophobicContact CB-CZ 3.96Å; L114-F196 HydrophobicContact CD1-CD2 3.89Å; L114-F196 HydrophobicContact CD1-CE2 4.24Å; L114-F196 HydrophobicContact CD1-CG 4.41Å; L114-F196 HydrophobicContact CD2-CB 3.77Å; L114-F196 HydrophobicContact CD2-CD2 4.26Å; L114-F196 HydrophobicContact CD2-CG 3.95Å; L114-F196 HydrophobicContact CG-CD2 4.21Å; L114-F196 HydrophobicContact CG-CG 4.28Å; L114-F196 WeakPolarHBondContact O-CD1 3.49Å; L114-F196 WeakPolarHBondContact O-CE1 3.36Å
115P98.7Very high98.4Very high0 Ų025.2 Ų25.20%012%0.124CC..G310 helixtrans-67.5-10.7179-21.336.4000115.1V51 Q54 N81 L84 V117 L212V51-P115 HydrophobicContact CB-CG 4.3Å; V51-P115 HydrophobicContact CG1-CG 4.04Å; V51-P115 HydrophobicContact CG2-CG 4.19Å; Q54-P115 HydrophobicContact CB-CB 3.72Å; Q54-P115 HydrophobicContact CB-CG 3.95Å; Q54-P115 HydrophobicContact CG-CB 4.1Å; N81-P115 PolarHBondContact ND2-O 3.37Å; L84-P115 HydrophobicContact CD1-CB 3.99Å; L84-P115 HydrophobicContact CD1-CG 3.8Å; P115-V117 VanDerWaalsContact C-N 3.34Å; P115-L212 HydrophobicContact CB-CD2 4.19Å
116I98.4Very high98.2Very high7 Ų727 Ų274%0.03613%0.131CC..G310 helixtrans-85-11-176.3-61.3168.4000111.8L84 T85 I88 N113 L114 L118 Y120 S216L84-I116 HydrophobicContact CB-CD1 4.18Å; T85-I116 HydrophobicContact CG2-CD1 3.71Å; T85-I116 HydrophobicContact CG2-CG1 4.44Å; I88-I116 HydrophobicContact CD1-CD1 3.63Å; N113-I116 WeakPolarHBondContact O-CB 3.47Å; N113-I116 PolarHBondContact O-N 3.26Å; L114-I116 PolarHBondContact O-N 2.9Å; L114-I116 VanDerWaalsContact O-N 3.12Å; I116-L118 PolarHBondContact O-N 3.17Å; I116-Y120 HydrophobicContact CB-CE1 4.36Å; I116-Y120 HydrophobicContact CD1-CE1 3.67Å; I116-Y120 HydrophobicContact CG2-CD1 4.17Å; I116-Y120 HydrophobicContact CG2-CE1 3.75Å; I116-S216 WeakPolarHBondContact CA-OG 3.4Å; I116-S216 PolarHBondContact O-OG 2.89Å
117V98.2Very high98.2Very high10 Ų1027.4 Ų27.46%0.06113%0.133CC..SBendtrans72-28.1175.8-175.30000114.9L114 P115 Q193 N197 L209 L212 F213L114-V117 PolarHBondContact O-N 3.31Å; P115-V117 VanDerWaalsContact C-N 3.34Å; V117-Q193 WeakPolarHBondContact O-CG 3.45Å; V117-N197 PolarHBondContact O-ND2 3.04Å; V117-L209 HydrophobicContact CG1-CD1 4.08Å; V117-L209 HydrophobicContact CG2-CD1 4.25Å; V117-L212 HydrophobicContact CG2-CB 3.53Å; V117-F213 HydrophobicContact CG2-CB 4.33Å
118L97.5Very high98.1Very high101 Ų10124.1 Ų24.153%0.52912%0.119SC..SBendtrans-111.3133.1179.7-63178.8000112N113 I116 Y120N113-L118 PolarHBondContact ND2-O 2.83Å; I116-L118 PolarHBondContact O-N 3.17Å; L118-Y120 PolarHBondContact O-N 3.41Å; L118-Y120 VanDerWaalsContact O-N 3.1Å
119P97.7Very high98.1Very high32 Ų3226.2 Ų26.221%0.20813%0.131CC..  trans-81.886.7-172.332.4-34.3000112.4N189 V190 Q193 M194P119-N189 HydrophobicContact CB-CB 4.34Å; P119-N189 WeakPolarHBondContact CB-ND2 3.28Å; P119-V190 HydrophobicContact CB-CG2 4.1Å; P119-V190 HydrophobicContact CG-CB 4.24Å; P119-V190 HydrophobicContact CG-CG2 3.67Å; P119-Q193 HydrophobicContact CB-CB 3.73Å; P119-Q193 HydrophobicContact CB-CG 4.13Å; P119-Q193 HydrophobicContact CG-CB 4.3Å; P119-Q193 HydrophobicContact CG-CG 4.47Å; P119-M194 HydrophobicContact CG-CE 4.4Å
120Y97.4Very high97.9Very high57 Ų5727.4 Ų27.422%0.22414%0.136CC..  trans-116.9-12.4-175.583.3-71.2000114.3T85 I88 N113 I116 L118 V122 S123 F124T85-Y120 WeakPolarHBondContact CA-OH 3.44Å; T85-Y120 WeakPolarHBondContact CB-OH 3.3Å; T85-Y120 VanDerWaalsContact CG2-OH 3.24Å; T85-Y120 WeakPolarHBondContact CG2-OH 3.43Å; I88-Y120 HydrophobicContact CD1-CE1 3.75Å; I88-Y120 WeakPolarHBondContact CD1-OH 3.35Å; I88-Y120 HydrophobicContact CG2-CE2 4.29Å; N113-Y120 WeakPolarHBondContact OD1-CD1 3.42Å; N113-Y120 WeakPolarHBondContact OD1-CE1 3.37Å; N113-Y120 PolarHBondContact OD1-N 3.03Å; N113-Y120 VanDerWaalsContact OD1-N 3.12Å; I116-Y120 HydrophobicContact CB-CE1 4.36Å; I116-Y120 HydrophobicContact CD1-CE1 3.67Å; I116-Y120 HydrophobicContact CG2-CD1 4.17Å; I116-Y120 HydrophobicContact CG2-CE1 3.75Å; L118-Y120 PolarHBondContact O-N 3.41Å; L118-Y120 VanDerWaalsContact O-N 3.1Å; Y120-V122 VanDerWaalsContact C-N 3.29Å; Y120-V122 PolarHBondContact O-N 3.42Å; Y120-V122 VanDerWaalsContact O-N 3.12Å; Y120-S123 PolarHBondContact O-N 3.04Å; Y120-S123 VanDerWaalsContact O-N 3.15Å; Y120-F124 HydrophobicContact CD2-CB 3.77Å; Y120-F124 HydrophobicContact CD2-CD2 4.26Å; Y120-F124 HydrophobicContact CD2-CG 4.29Å; Y120-F124 HydrophobicContact CE2-CB 4.02Å; Y120-F124 HydrophobicContact CE2-CD2 4.04Å; Y120-F124 HydrophobicContact CE2-CG 4.11Å; Y120-F124 VanDerWaalsContact O-CB 3.3Å; Y120-F124 WeakPolarHBondContact O-CB 3.4Å; Y120-F124 PolarHBondContact O-N 3.24Å
121S98.7Very high97.8Very high0 Ų027.7 Ų27.70%014%0.137CC..Hα-helixtrans-54.4-37.8-171.674.10000115.5M110 N113 K125 N189M110-S121 PolarHBondContact N-OG 3.47Å; N113-S121 WeakPolarHBondContact OD1-CB 3.47Å; N113-S121 PolarHBondContact OD1-N 3.32Å; S121-K125 PolarHBondContact O-N 2.89Å; S121-N189 PolarHBondContact N-OD1 3.48Å; S121-N189 PolarHBondContact OG-OD1 2.92Å
122V98.4Very high97.7Very high12 Ų1225.7 Ų25.77%0.07313%0.129CC..Hα-helixtrans-77.7-46.9178.8-177.40000110.7M110 Y120 F124 K125 K126 L185 E186 N189M110-V122 HydrophobicContact CE-CG2 3.48Å; M110-V122 VanDerWaalsContact CE-CG2 3.48Å; M110-V122 HydrophobicContact CG-CG2 4.34Å; Y120-V122 VanDerWaalsContact C-N 3.29Å; Y120-V122 PolarHBondContact O-N 3.42Å; Y120-V122 VanDerWaalsContact O-N 3.12Å; V122-F124 VanDerWaalsContact C-N 3.26Å; V122-F124 PolarHBondContact O-N 2.88Å; V122-K125 PolarHBondContact O-N 3.39Å; V122-K126 PolarHBondContact O-N 3.36Å; V122-L185 HydrophobicContact CG1-CB 3.92Å; V122-L185 HydrophobicContact CG2-CB 4.24Å; V122-E186 HydrophobicContact CB-CG 3.96Å; V122-E186 HydrophobicContact CG1-CG 3.72Å; V122-N189 HydrophobicContact CG2-CB 3.97Å; V122-N189 PolarHBondContact N-OD1 2.8Å
123S97.6Very high97.6Very high34 Ų3433.2 Ų33.224%0.23816%0.157CC..Hα-helixtrans-61.2-36.7176.6-490000111.5Y120 K126 Y127 E186Y120-S123 PolarHBondContact O-N 3.04Å; Y120-S123 VanDerWaalsContact O-N 3.15Å; S123-K126 WeakPolarHBondContact O-CB 3.32Å; S123-K126 PolarHBondContact O-N 3.48Å; S123-Y127 WeakPolarHBondContact O-CD2 3.25Å; S123-Y127 PolarHBondContact O-N 2.93Å; S123-E186 WeakPolarHBondContact CB-OE1 3.14Å; S123-E186 PolarHBondContact OG-OE1 2.84Å
124F98.1Very high97.4Very high29 Ų2934.3 Ų34.313%0.12716%0.162CC..Hα-helixtrans-57.5-54.2176.4-179.1-94.8000110.9I88 H89 Y120 V122 K126 Y127 H128 Y170I88-F124 HydrophobicContact CG2-CB 4.49Å; I88-F124 HydrophobicContact CG2-CD1 4.14Å; I88-F124 HydrophobicContact CG2-CG 4.45Å; H89-F124 HydrophobicContact CB-CE1 4.04Å; H89-F124 HydrophobicContact CB-CZ 4.23Å; Y120-F124 HydrophobicContact CD2-CB 3.77Å; Y120-F124 HydrophobicContact CD2-CD2 4.26Å; Y120-F124 HydrophobicContact CD2-CG 4.29Å; Y120-F124 HydrophobicContact CE2-CB 4.02Å; Y120-F124 HydrophobicContact CE2-CD2 4.04Å; Y120-F124 HydrophobicContact CE2-CG 4.11Å; Y120-F124 VanDerWaalsContact O-CB 3.3Å; Y120-F124 WeakPolarHBondContact O-CB 3.4Å; Y120-F124 PolarHBondContact O-N 3.24Å; V122-F124 VanDerWaalsContact C-N 3.26Å; V122-F124 PolarHBondContact O-N 2.88Å; F124-K126 PolarHBondContact O-N 2.95Å; F124-Y127 PolarHBondContact O-N 3.14Å; F124-H128 HydrophobicContact CD1-CB 4.05Å; F124-H128 HydrophobicContact CE1-CB 3.64Å; F124-H128 AromaticContact CE1-CD2 3.73Å; F124-H128 AromaticContact CE1-CG 3.52Å; F124-H128 HydrophobicContact CE2-CB 4.32Å; F124-H128 HydrophobicContact CZ-CB 3.81Å; F124-H128 AromaticContact CZ-CG 3.58Å; F124-H128 AromaticContact CZ-ND1 3.69Å; F124-H128 WeakPolarHBondContact O-CB 3.08Å; F124-H128 PolarHBondContact O-N 2.75Å; F124-Y170 HydrophobicContact CE2-CE1 4.42Å
125K97.9Very high97.2Very high35 Ų3533.1 Ų33.115%0.15216%0.155CC..Hα-helixtrans-54-42.1177177179171.195.60111.9S92 N94 S121 V122 Y127 L129S92-K125 PolarHBondContact O-NZ 2.89Å; N94-K125 PolarHBondContact OD1-NZ 3.48Å; S121-K125 PolarHBondContact O-N 2.89Å; V122-K125 PolarHBondContact O-N 3.39Å; K125-Y127 VanDerWaalsContact C-N 3.32Å; K125-Y127 PolarHBondContact O-N 3.27Å; K125-L129 HydrophobicContact CD-CD1 4.32Å; K125-L129 HydrophobicContact CG-CD1 3.71Å; K125-L129 HydrophobicContact CG-CG 4.04Å; K125-L129 WeakPolarHBondContact O-CG 3.33Å; K125-L129 PolarHBondContact O-N 3.49Å; K125-L129 VanDerWaalsContact O-N 3.13Å
126K95.2Very high97.1Very high36 Ų3633.2 Ų33.216%0.15716%0.156CC..Hα-helixtrans-55.3-46.5-177.4177.6172.367.8-1700112V122 S123 F124 K180 A181 E186 V324V122-K126 PolarHBondContact O-N 3.36Å; S123-K126 WeakPolarHBondContact O-CB 3.32Å; S123-K126 PolarHBondContact O-N 3.48Å; F124-K126 PolarHBondContact O-N 2.95Å; K126-K180 HydrophobicContact CD-CB 4.01Å; K126-K180 HydrophobicContact CD-CD 3.81Å; K126-K180 HydrophobicContact CG-CD 3.87Å; K126-A181 PolarHBondContact NZ-O 2.97Å; K126-E186 IonicContact NZ-OE1 3.29Å; K126-E186 PolarHBondContact NZ-OE1 2.83Å; K126-E186 IonicContact NZ-OE2 2.69Å; K126-E186 PolarHBondContact NZ-OE2 3.11Å; K126-V324 HydrophobicContact CD-CG1 3.59Å
127Y97.5Very high97Very high22 Ų2234.4 Ų34.49%0.08616%0.162CC..Hα-helixtrans-89.5-34.5-178.5-64.1-70.8000112.9S123 F124 K125 L129 E130 H131 T142 P174 Y178 K180S123-Y127 WeakPolarHBondContact O-CD2 3.25Å; S123-Y127 PolarHBondContact O-N 2.93Å; F124-Y127 PolarHBondContact O-N 3.14Å; K125-Y127 VanDerWaalsContact C-N 3.32Å; K125-Y127 PolarHBondContact O-N 3.27Å; Y127-L129 PolarHBondContact O-N 2.82Å; Y127-E130 WeakPolarHBondContact O-CB 3.48Å; Y127-E130 PolarHBondContact O-N 3.42Å; Y127-E130 VanDerWaalsContact O-N 3.09Å; Y127-H131 PolarHBondContact O-N 2.85Å; Y127-T142 HydrophobicContact CD1-CG2 4.05Å; Y127-T142 HydrophobicContact CE1-CG2 4.41Å; Y127-P174 HydrophobicContact CD1-CB 3.89Å; Y127-P174 HydrophobicContact CD2-CB 3.64Å; Y127-P174 HydrophobicContact CD2-CG 4.15Å; Y127-P174 HydrophobicContact CE1-CB 3.82Å; Y127-P174 HydrophobicContact CE2-CB 3.55Å; Y127-P174 HydrophobicContact CE2-CG 4.46Å; Y127-P174 HydrophobicContact CG-CB 3.8Å; Y127-P174 HydrophobicContact CG-CG 4.29Å; Y127-Y178 WeakPolarHBondContact CE1-O 3.1Å; Y127-Y178 PolarHBondContact OH-O 3.33Å; Y127-K180 HydrophobicContact CE1-CD 4.03Å; Y127-K180 HydrophobicContact CE1-CG 4.14Å; Y127-K180 PolarHBondContact OH-N 3.44Å
128H97.7Very high96.8Very high14 Ų1435.5 Ų35.57%0.06517%0.167CC..Hα-helixtrans-66.9-35.3-177.9179.567.2000113H89 S92 H93 F124 E130 H131 H132H89-H128 AromaticContact CD2-CE1 3.24Å; H89-H128 PolarHBondContact CD2-CE1 2.94Å; H89-H128 AromaticContact CD2-NE2 3.16Å; H89-H128 PolarHBondContact CD2-NE2 2.9Å; H89-H128 AromaticContact NE2-CE1 3.36Å; H89-H128 PolarHBondContact NE2-CE1 2.98Å; H89-H128 AromaticContact NE2-NE2 3.28Å; H89-H128 PolarHBondContact NE2-NE2 3.28Å; S92-H128 PolarHBondContact OG-CD2 2.98Å; H93-H128 AromaticContact CD2-NE2 3.88Å; H93-H128 AromaticContact CE1-NE2 3.71Å; H93-H128 AromaticContact NE2-CD2 3.66Å; H93-H128 AromaticContact NE2-NE2 3.01Å; H93-H128 PolarHBondContact NE2-NE2 3.21Å; F124-H128 HydrophobicContact CD1-CB 4.05Å; F124-H128 HydrophobicContact CE1-CB 3.64Å; F124-H128 AromaticContact CE1-CD2 3.73Å; F124-H128 AromaticContact CE1-CG 3.52Å; F124-H128 HydrophobicContact CE2-CB 4.32Å; F124-H128 HydrophobicContact CZ-CB 3.81Å; F124-H128 AromaticContact CZ-CG 3.58Å; F124-H128 AromaticContact CZ-ND1 3.69Å; F124-H128 WeakPolarHBondContact O-CB 3.08Å; F124-H128 PolarHBondContact O-N 2.75Å; H128-E130 PolarHBondContact O-N 2.9Å; H128-H131 WeakPolarHBondContact O-CB 3.14Å; H128-H131 PolarHBondContact O-N 2.7Å; H128-H132 AromaticContact CD2-CD2 3.9Å; H128-H132 AromaticContact CE1-CD2 3.39Å; H128-H132 PolarHBondContact CE1-CD2 3.01Å; H128-H132 AromaticContact CE1-NE2 3.16Å; H128-H132 PolarHBondContact CE1-NE2 2.91Å; H128-H132 AromaticContact NE2-CD2 3.32Å; H128-H132 PolarHBondContact NE2-CD2 3.38Å; H128-H132 VanDerWaalsContact NE2-CD2 3.32Å; H128-H132 AromaticContact NE2-NE2 3.14Å; H128-H132 PolarHBondContact NE2-NE2 2.79Å; H128-H132 VanDerWaalsContact NE2-NE2 3.14Å; H128-H132 PolarHBondContact O-CD2 3.42Å; H128-H132 PolarHBondContact O-N 3.22Å; H128-H132 VanDerWaalsContact O-N 3.09Å
129L97Very high96.6Very high66 Ų6636.7 Ų36.735%0.34617%0.165SC..Hα-helixtrans-66.8-27.9173.1-67.8-179000112.8K125 Y127 R133K125-L129 HydrophobicContact CD-CD1 4.32Å; K125-L129 HydrophobicContact CG-CD1 3.71Å; K125-L129 HydrophobicContact CG-CG 4.04Å; K125-L129 WeakPolarHBondContact O-CG 3.33Å; K125-L129 PolarHBondContact O-N 3.49Å; K125-L129 VanDerWaalsContact O-N 3.13Å; Y127-L129 PolarHBondContact O-N 2.82Å; L129-R133 WeakPolarHBondContact O-CB 3.26Å; L129-R133 PolarHBondContact O-N 3.37Å
130E95.7Very high96.5Very high24 Ų2435.3 Ų35.311%0.11216%0.156CC..Hα-helixtrans-74.6-39.7172.5-73.3-172.814400111.7Y127 H128 H132 R133 Y134 Y178 K180Y127-E130 WeakPolarHBondContact O-CB 3.48Å; Y127-E130 PolarHBondContact O-N 3.42Å; Y127-E130 VanDerWaalsContact O-N 3.09Å; H128-E130 PolarHBondContact O-N 2.9Å; E130-H132 VanDerWaalsContact C-N 3.29Å; E130-H132 PolarHBondContact O-N 3.47Å; E130-R133 CarbonylContact O-C 3.56Å; E130-R133 PolarHBondContact O-N 2.93Å; E130-Y134 HydrophobicContact CB-CD2 4Å; E130-Y134 HydrophobicContact CG-CD2 4.09Å; E130-Y134 HydrophobicContact CG-CE2 4.18Å; E130-Y134 WeakPolarHBondContact O-CA 3.41Å; E130-Y134 WeakPolarHBondContact O-CB 3.18Å; E130-Y134 PolarHBondContact O-N 3.01Å; E130-Y178 WeakPolarHBondContact OE2-CE1 3.47Å; E130-K180 IonicContact OE1-NZ 2.69Å; E130-K180 PolarHBondContact OE1-NZ 2.86Å; E130-K180 WeakPolarHBondContact OE2-CE 3.2Å; E130-K180 IonicContact OE2-NZ 2.71Å; E130-K180 PolarHBondContact OE2-NZ 3.44Å
131H97Very high96.5Very high8 Ų832.8 Ų32.84%0.03715%0.146CC..Hα-helixtrans-53.9-45.6171.5169.570.3000111.8Y127 H128 R133 M135 D141 H233 H263Y127-H131 PolarHBondContact O-N 2.85Å; H128-H131 WeakPolarHBondContact O-CB 3.14Å; H128-H131 PolarHBondContact O-N 2.7Å; H131-R133 VanDerWaalsContact C-N 3.31Å; H131-R133 PolarHBondContact O-N 3.27Å; H131-M135 WeakPolarHBondContact O-CA 3.24Å; H131-M135 WeakPolarHBondContact O-CB 3.2Å; H131-M135 PolarHBondContact O-N 3.3Å; H131-M135 VanDerWaalsContact O-N 3.1Å; H131-D141 IonicContact CE1-OD2 2.7Å; H131-D141 IonicContact CG-OD1 2.76Å; H131-D141 VanDerWaalsContact ND1-CG 3.3Å; H131-D141 IonicContact ND1-OD1 3.88Å; H131-D141 PolarHBondContact ND1-OD1 3.25Å; H131-D141 IonicContact ND1-OD2 3.45Å; H131-D141 PolarHBondContact ND1-OD2 3.02Å; H131-D141 VanDerWaalsContact ND1-OD2 3.1Å; H131-H233 AromaticContact CE1-CD2 3.54Å; H131-H233 AromaticContact CE1-CE1 3.94Å; H131-H233 AromaticContact CE1-NE2 3.38Å; H131-H233 PolarHBondContact CE1-NE2 2.72Å; H131-H233 AromaticContact NE2-CD2 3.54Å; H131-H233 AromaticContact NE2-CE1 3.83Å; H131-H233 AromaticContact NE2-NE2 3.04Å; H131-H233 PolarHBondContact NE2-NE2 2.77Å; H131-H263 AromaticContact CD2-CE1 3.74Å; H131-H263 AromaticContact NE2-CE1 3.25Å; H131-H263 PolarHBondContact NE2-CE1 3.21Å; H131-H263 VanDerWaalsContact NE2-CE1 3.25Å; H131-H263 AromaticContact NE2-NE2 3.58Å
132H97.7Very high96.3Very high24 Ų2433.1 Ų33.111%0.11115%0.148CC..Hα-helixtrans-66-29.6174.4-86-83.3000114.5H93 H128 E130 H262 H263H93-H132 AromaticContact CE1-CD2 3.41Å; H93-H132 PolarHBondContact CE1-CD2 3.12Å; H93-H132 VanDerWaalsContact CE1-CD2 3.41Å; H93-H132 AromaticContact CE1-CG 3.9Å; H93-H132 AromaticContact CE1-NE2 3.48Å; H93-H132 PolarHBondContact CE1-NE2 3.38Å; H93-H132 AromaticContact NE2-CD2 3.62Å; H93-H132 AromaticContact NE2-CE1 3.92Å; H93-H132 AromaticContact NE2-NE2 3.24Å; H93-H132 PolarHBondContact NE2-NE2 3.09Å; H128-H132 AromaticContact CD2-CD2 3.9Å; H128-H132 AromaticContact CE1-CD2 3.39Å; H128-H132 PolarHBondContact CE1-CD2 3.01Å; H128-H132 AromaticContact CE1-NE2 3.16Å; H128-H132 PolarHBondContact CE1-NE2 2.91Å; H128-H132 AromaticContact NE2-CD2 3.32Å; H128-H132 PolarHBondContact NE2-CD2 3.38Å; H128-H132 VanDerWaalsContact NE2-CD2 3.32Å; H128-H132 AromaticContact NE2-NE2 3.14Å; H128-H132 PolarHBondContact NE2-NE2 2.79Å; H128-H132 VanDerWaalsContact NE2-NE2 3.14Å; H128-H132 PolarHBondContact O-CD2 3.42Å; H128-H132 PolarHBondContact O-N 3.22Å; H128-H132 VanDerWaalsContact O-N 3.09Å; E130-H132 VanDerWaalsContact C-N 3.29Å; E130-H132 PolarHBondContact O-N 3.47Å; H132-H262 AromaticContact CE1-CD2 3.44Å; H132-H262 PolarHBondContact CE1-CD2 3.17Å; H132-H262 VanDerWaalsContact CE1-CD2 3.44Å; H132-H262 AromaticContact CE1-NE2 3.27Å; H132-H262 PolarHBondContact CE1-NE2 3.29Å; H132-H262 VanDerWaalsContact CE1-NE2 3.27Å; H132-H262 AromaticContact NE2-CD2 3.82Å; H132-H262 AromaticContact NE2-NE2 3.35Å; H132-H262 PolarHBondContact NE2-NE2 3.34Å; H132-H263 AromaticContact CE1-CD2 3.56Å; H132-H263 AromaticContact CE1-CE1 3.67Å; H132-H263 AromaticContact CE1-CG 3.7Å; H132-H263 AromaticContact CE1-ND1 3.78Å; H132-H263 AromaticContact CE1-NE2 3.51Å; H132-H263 AromaticContact ND1-CE1 3.72Å; H132-H263 AromaticContact ND1-CG 3.78Å; H132-H263 AromaticContact ND1-ND1 3.56Å; H132-H263 AromaticContact NE2-NE2 3.98Å
133R94.8Very high96.3Very high157 Ų15733.5 Ų33.559%0.59215%0.15SC*.Hα-helixtrans-91.1-31.9-173.4-172.4175.9-178-1741.4113.2L129 E130 H131L129-R133 WeakPolarHBondContact O-CB 3.26Å; L129-R133 PolarHBondContact O-N 3.37Å; E130-R133 CarbonylContact O-C 3.56Å; E130-R133 PolarHBondContact O-N 2.93Å; H131-R133 VanDerWaalsContact C-N 3.31Å; H131-R133 PolarHBondContact O-N 3.27Å
134Y94.7Very high96.2Very high23 Ų2332 Ų329%0.0914%0.139CC..SBendtrans-131.133.7-169.5-52.8-57.5000110.4E130 G136 E137 L140E130-Y134 HydrophobicContact CB-CD2 4Å; E130-Y134 HydrophobicContact CG-CD2 4.09Å; E130-Y134 HydrophobicContact CG-CE2 4.18Å; E130-Y134 WeakPolarHBondContact O-CA 3.41Å; E130-Y134 WeakPolarHBondContact O-CB 3.18Å; E130-Y134 PolarHBondContact O-N 3.01Å; Y134-G136 PolarHBondContact O-N 3.16Å; Y134-E137 WeakPolarHBondContact O-CB 3.33Å; Y134-E137 PolarHBondContact O-N 2.82Å; Y134-L140 HydrophobicContact CD1-CD1 4.43Å; Y134-L140 HydrophobicContact CD2-CB 4.39Å; Y134-L140 HydrophobicContact CD2-CD1 4.3Å; Y134-L140 HydrophobicContact CG-CB 4.43Å; Y134-L140 HydrophobicContact CG-CD1 4.11Å
135M96.3Very high96.2Very high4 Ų430.7 Ų30.72%0.0213%0.134CC..THydrogen-bonded Turntrans-53.4125.9-173.9-165.1-1777100111.5E17 H19 H131 E137 H233 E241 R314E17-M135 HydrophobicContact CB-CB 4.3Å; E17-M135 HydrophobicContact CB-CE 4.3Å; H19-M135 VanDerWaalsContact CD2-CE 3.47Å; H19-M135 WeakPolarHBondContact CD2-CE 3.44Å; H131-M135 WeakPolarHBondContact O-CA 3.24Å; H131-M135 WeakPolarHBondContact O-CB 3.2Å; H131-M135 PolarHBondContact O-N 3.3Å; H131-M135 VanDerWaalsContact O-N 3.1Å; M135-E137 VanDerWaalsContact C-N 3.25Å; M135-E137 PolarHBondContact O-N 2.88Å; M135-H233 PolarHBondContact SD-CE1 2.94Å; M135-E241 HydrophobicContact CE-CG 3.65Å; M135-R314 PolarHBondContact O-NH1 2.72Å; M135-R314 VanDerWaalsContact O-NH1 3.09Å
136G95.8Very high96.2Very high2 Ų230 Ų302%0.02113%0.132CC..THydrogen-bonded Turntrans81.8-15.6-176.700000115.2Y134 D138 D141 K313 R314Y134-G136 PolarHBondContact O-N 3.16Å; G136-D138 PolarHBondContact O-N 2.81Å; G136-D141 PolarHBondContact N-OD2 2.92Å; G136-K313 CarbonylContact O-C 3.38Å; G136-K313 VanDerWaalsContact O-CA 3.22Å; G136-K313 WeakPolarHBondContact O-CA 3.17Å; G136-R314 PolarHBondContact O-N 3.4Å
137E95.8Very high96.2Very high33 Ų3332.8 Ų32.815%0.15415%0.146CC..BIsolated β-bridgetrans-66.9124.2179.3-69.2-167.7-137.200110.7Y134 M135 R139 L140 D141 R314 F316 H317Y134-E137 WeakPolarHBondContact O-CB 3.33Å; Y134-E137 PolarHBondContact O-N 2.82Å; M135-E137 VanDerWaalsContact C-N 3.25Å; M135-E137 PolarHBondContact O-N 2.88Å; E137-R139 PolarHBondContact O-N 3.24Å; E137-L140 HydrophobicContact CB-CB 4.21Å; E137-L140 HydrophobicContact CB-CD1 4.3Å; E137-L140 PolarHBondContact O-N 2.79Å; E137-D141 PolarHBondContact O-N 3.12Å; E137-R314 HydrophobicContact CG-CB 4.48Å; E137-F316 HydrophobicContact CB-CB 4.07Å; E137-F316 WeakPolarHBondContact OE2-CA 3.2Å; E137-H317 PolarHBondContact OE2-N 3.38Å
138D95Very high96.2Very high33 Ų3337.9 Ų37.918%0.17617%0.169CC..THydrogen-bonded Turntrans-56.3135.7-175.6-174.751000111W12 G136 L140 K313 R314 F316W12-D138 HydrophobicContact CH2-CB 4.38Å; G136-D138 PolarHBondContact O-N 2.81Å; D138-L140 PolarHBondContact O-N 2.82Å; D138-K313 WeakPolarHBondContact OD1-CE 3.37Å; D138-K313 IonicContact OD1-NZ 3.77Å; D138-K313 PolarHBondContact OD1-NZ 2.81Å; D138-R314 PolarHBondContact N-O 3.46Å; D138-F316 HydrophobicContact CB-CD1 4.17Å; D138-F316 WeakPolarHBondContact O-CB 3.22Å; D138-F316 WeakPolarHBondContact O-CD1 3.26Å; D138-F316 WeakPolarHBondContact O-CG 3.3Å
139R93.9Very high96.2Very high125 Ų12537.4 Ų37.447%0.47217%0.167SC..THydrogen-bonded Turntrans67.4-37.6-173.7-49.1-178.5175.9-146.5-2.9116.9E137 I177 Y178 L320E137-R139 PolarHBondContact O-N 3.24Å; R139-I177 HydrophobicContact CB-CG2 4.11Å; R139-I177 HydrophobicContact CG-CG2 4.48Å; R139-Y178 WeakPolarHBondContact O-CB 3.22Å; R139-L320 HydrophobicContact CB-CD2 4.22Å
140L94.8Very high96.1Very high3 Ų334.3 Ų34.32%0.01615%0.15CC..THydrogen-bonded Turntrans-70.1-42.7178.6-70.9175.6000111.4Y134 E137 D138 T142 Y178 F316 R318 L320Y134-L140 HydrophobicContact CD1-CD1 4.43Å; Y134-L140 HydrophobicContact CD2-CB 4.39Å; Y134-L140 HydrophobicContact CD2-CD1 4.3Å; Y134-L140 HydrophobicContact CG-CB 4.43Å; Y134-L140 HydrophobicContact CG-CD1 4.11Å; E137-L140 HydrophobicContact CB-CB 4.21Å; E137-L140 HydrophobicContact CB-CD1 4.3Å; E137-L140 PolarHBondContact O-N 2.79Å; D138-L140 PolarHBondContact O-N 2.82Å; L140-T142 PolarHBondContact O-N 2.87Å; L140-Y178 HydrophobicContact CD2-CD1 4.37Å; L140-Y178 HydrophobicContact CD2-CE1 3.66Å; L140-F316 HydrophobicContact CD1-CB 4.03Å; L140-F316 HydrophobicContact CG-CB 4.41Å; L140-R318 HydrophobicContact CD1-CB 4.43Å; L140-L320 HydrophobicContact CD2-CD2 3.64Å; L140-L320 HydrophobicContact CG-CD2 4.18Å
141D96.2Very high96.2Very high4 Ų440.2 Ų40.22%0.02117%0.172CC..  trans-84.489.2172.4-171.81.7000110.8H131 G136 E137 D143 I144H131-D141 IonicContact CE1-OD2 2.7Å; H131-D141 IonicContact CG-OD1 2.76Å; H131-D141 VanDerWaalsContact ND1-CG 3.3Å; H131-D141 IonicContact ND1-OD1 3.88Å; H131-D141 PolarHBondContact ND1-OD1 3.25Å; H131-D141 IonicContact ND1-OD2 3.45Å; H131-D141 PolarHBondContact ND1-OD2 3.02Å; H131-D141 VanDerWaalsContact ND1-OD2 3.1Å; G136-D141 PolarHBondContact N-OD2 2.92Å; E137-D141 PolarHBondContact O-N 3.12Å; D141-D143 PolarHBondContact O-N 2.93Å; D141-D143 VanDerWaalsContact O-N 3.15Å; D141-D143 WeakPolarHBondContact OD1-CB 3.41Å; D141-D143 PolarHBondContact OD1-N 2.95Å; D141-I144 HydrophobicContact CB-CD1 4.11Å; D141-I144 HydrophobicContact CB-CG1 4.42Å; D141-I144 PolarHBondContact O-N 3.5Å
142T96.3Very high96.2Very high8 Ų842.2 Ų42.25%0.04918%0.184CC..THydrogen-bonded Turntrans-73.12.2177.963.10000113.5Y127 L140 I144 R173 P174 I177 Y178Y127-T142 HydrophobicContact CD1-CG2 4.05Å; Y127-T142 HydrophobicContact CE1-CG2 4.41Å; L140-T142 PolarHBondContact O-N 2.87Å; T142-I144 VanDerWaalsContact C-N 3.29Å; T142-R173 WeakPolarHBondContact O-CD 3.33Å; T142-R173 VanDerWaalsContact O-CG 3.27Å; T142-R173 WeakPolarHBondContact O-CG 3.36Å; T142-P174 HydrophobicContact CG2-CB 4.21Å; T142-I177 HydrophobicContact CG2-CB 4.35Å; T142-I177 HydrophobicContact CG2-CG2 4.3Å; T142-Y178 HydrophobicContact CG2-CD1 4.38Å
143D96.5Very high96.1Very high19 Ų1942 Ų4210%0.10218%0.183CC..THydrogen-bonded Turntrans-74.9-21173.9-16875.7000112D141 Y170 R173 R311D141-D143 PolarHBondContact O-N 2.93Å; D141-D143 VanDerWaalsContact O-N 3.15Å; D141-D143 WeakPolarHBondContact OD1-CB 3.41Å; D141-D143 PolarHBondContact OD1-N 2.95Å; D143-Y170 WeakPolarHBondContact OD1-CE2 3.35Å; D143-Y170 PolarHBondContact OD1-OH 3.14Å; D143-R173 PolarHBondContact O-NH1 3.42Å; D143-R311 PolarHBondContact O-NH1 3.4Å; D143-R311 IonicContact OD2-CZ 3.71Å; D143-R311 VanDerWaalsContact OD2-CZ 3.27Å; D143-R311 IonicContact OD2-NH1 3.81Å; D143-R311 PolarHBondContact OD2-NH1 2.9Å; D143-R311 IonicContact OD2-NH2 3.85Å; D143-R311 PolarHBondContact OD2-NH2 3.27Å
144I97.3Very high96.2Very high4 Ų436.4 Ų36.42%0.02117%0.165CC..SBendtrans-79130.4-176.7-55.9170.4000111.1F10 D141 T142 R173 R311 K313F10-I144 HydrophobicContact CD1-CG2 4.13Å; F10-I144 HydrophobicContact CE1-CG2 3.71Å; F10-I144 HydrophobicContact CZ-CG2 4.28Å; D141-I144 HydrophobicContact CB-CD1 4.11Å; D141-I144 HydrophobicContact CB-CG1 4.42Å; D141-I144 PolarHBondContact O-N 3.5Å; T142-I144 VanDerWaalsContact C-N 3.29Å; I144-R173 WeakPolarHBondContact O-CD 3.39Å; I144-R311 HydrophobicContact CG2-CB 3.93Å; I144-R311 HydrophobicContact CG2-CG 4.28Å; I144-K313 HydrophobicContact CD1-CG 3.96Å; I144-K313 HydrophobicContact CG2-CG 4.33Å
145P97.5Very high96.2Very high1 Ų135.6 Ų35.61%0.00616%0.163CC..PPolyproline II helixtrans-49.9147176.8-2736.2000114F10 E149 W162 Y234 P308F10-P145 WeakPolarHBondContact CZ-O 3.44Å; P145-E149 HydrophobicContact CB-CB 4.17Å; P145-W162 HydrophobicContact CG-CZ2 4.48Å; P145-Y234 WeakPolarHBondContact CG-OH 3.22Å; P145-P308 HydrophobicContact CB-CB 3.75Å; P145-P308 HydrophobicContact CG-CB 3.98Å
146T97.3Very high96.3Very high20 Ų2035.9 Ų35.912%0.12317%0.165CC..PPolyproline II helixtrans-67.9158.317359.20000111.4F148 E149 A150 R173 I176 I177T146-F148 PolarHBondContact O-N 3.25Å; T146-E149 PolarHBondContact N-OE1 3.12Å; T146-E149 PolarHBondContact O-N 3.33Å; T146-E149 VanDerWaalsContact O-N 3.14Å; T146-E149 VanDerWaalsContact OG1-CG 3.25Å; T146-E149 WeakPolarHBondContact OG1-CG 3.49Å; T146-E149 PolarHBondContact OG1-N 3.15Å; T146-E149 PolarHBondContact OG1-OE1 2.93Å; T146-A150 PolarHBondContact O-N 2.97Å; T146-R173 HydrophobicContact CG2-CG 4.35Å; T146-I176 HydrophobicContact CG2-CG2 4.34Å; T146-I177 HydrophobicContact CG2-CD1 3.89Å; T146-I177 HydrophobicContact CG2-CG1 3.9Å
147E95.4Very high96.4Very high94 Ų9442.5 Ų42.544%0.43919%0.194SC..Hα-helixtrans-57.9-34.2170.5-69.3-176.1-171.800112.2F10 A150 R151F10-E147 HydrophobicContact CE2-CG 4.29Å; E147-A150 PolarHBondContact O-N 3.49Å; E147-R151 WeakPolarHBondContact O-CB 3.12Å; E147-R151 VanDerWaalsContact O-CG 3.26Å; E147-R151 WeakPolarHBondContact O-CG 3.44Å; E147-R151 PolarHBondContact O-N 2.96Å; E147-R151 IonicContact OE2-CZ 2.78Å; E147-R151 VanDerWaalsContact OE2-CZ 3.27Å; E147-R151 IonicContact OE2-NH1 3.27Å; E147-R151 PolarHBondContact OE2-NH1 3.23Å; E147-R151 IonicContact OE2-NH2 3.37Å; E147-R151 PolarHBondContact OE2-NH2 3.33Å
148F96.7Very high96.5Very high130 Ų13045.2 Ų45.257%0.5720%0.202SC*.Hα-helixtrans-59.1-51.2174.5168.2-96.5000111T146 A150 R151 V152 F153T146-F148 PolarHBondContact O-N 3.25Å; F148-A150 VanDerWaalsContact C-N 3.3Å; F148-A150 PolarHBondContact O-N 3.25Å; F148-R151 PolarHBondContact O-N 3.48Å; F148-V152 HydrophobicContact CD2-CG2 3.88Å; F148-V152 HydrophobicContact CE2-CG2 3.6Å; F148-V152 HydrophobicContact CZ-CG2 4Å; F148-V152 WeakPolarHBondContact O-CB 3.15Å; F148-V152 WeakPolarHBondContact O-CG2 3.34Å; F148-V152 PolarHBondContact O-N 3.46Å; F148-F153 HydrophobicContact CE1-CE2 4.41Å
149E97.8Very high96.6Very high4 Ų443.7 Ų43.72%0.01919%0.194CC..Hα-helixtrans-57.5-46.3177.5-71.8168.3-94.300110.9P145 T146 V152 F153 W162 F169 R173P145-E149 HydrophobicContact CB-CB 4.17Å; T146-E149 PolarHBondContact N-OE1 3.12Å; T146-E149 PolarHBondContact O-N 3.33Å; T146-E149 VanDerWaalsContact O-N 3.14Å; T146-E149 VanDerWaalsContact OG1-CG 3.25Å; T146-E149 WeakPolarHBondContact OG1-CG 3.49Å; T146-E149 PolarHBondContact OG1-N 3.15Å; T146-E149 PolarHBondContact OG1-OE1 2.93Å; E149-V152 PolarHBondContact O-N 2.89Å; E149-F153 HydrophobicContact CB-CD2 4.17Å; E149-F153 HydrophobicContact CG-CD2 4.5Å; E149-F153 HydrophobicContact CG-CE2 4.41Å; E149-F153 WeakPolarHBondContact O-CB 3.41Å; E149-F153 VanDerWaalsContact O-CD2 3.22Å; E149-F153 WeakPolarHBondContact O-CD2 3.47Å; E149-F153 PolarHBondContact O-N 3.38Å; E149-W162 PolarHBondContact OE2-NE1 3.2Å; E149-F169 HydrophobicContact CG-CD1 3.93Å; E149-F169 HydrophobicContact CG-CE1 4.43Å; E149-F169 HydrophobicContact CG-CG 4.37Å; E149-F169 WeakPolarHBondContact OE2-CB 3.39Å; E149-R173 IonicContact OE1-CZ 3.54Å; E149-R173 IonicContact OE1-NE 3.24Å; E149-R173 PolarHBondContact OE1-NE 3.02Å; E149-R173 IonicContact OE1-NH2 3.64Å; E149-R173 IonicContact OE2-CZ 3.93Å; E149-R173 IonicContact OE2-NE 3.31Å; E149-R173 IonicContact OE2-NH2 2.92Å; E149-R173 PolarHBondContact OE2-NH2 3.46Å
150A96.6Very high96.8Very high1 Ų141.5 Ų41.51%0.00819%0.189CC..Hα-helixtrans-66.3-39.4-177.400000114F10 T146 E147 F148 P308 Y309F10-A150 HydrophobicContact CZ-CB 4.36Å; T146-A150 PolarHBondContact O-N 2.97Å; E147-A150 PolarHBondContact O-N 3.49Å; F148-A150 VanDerWaalsContact C-N 3.3Å; F148-A150 PolarHBondContact O-N 3.25Å; A150-P308 HydrophobicContact CB-CB 3.94Å; A150-Y309 HydrophobicContact CB-CD1 3.59Å; A150-Y309 HydrophobicContact CB-CD2 3.58Å; A150-Y309 HydrophobicContact CB-CE1 3.53Å; A150-Y309 HydrophobicContact CB-CE2 3.49Å; A150-Y309 VanDerWaalsContact CB-CE2 3.49Å; A150-Y309 HydrophobicContact CB-CG 3.62Å; A150-Y309 VanDerWaalsContact CB-CZ 3.48Å
151R96Very high96.9Very high147 Ų14743.8 Ų43.856%0.55520%0.2SC*.Hα-helixtrans-72.9-38.1176.7-69.7178.5-176148.710.8112.7E147 F148 N154 Y309E147-R151 WeakPolarHBondContact O-CB 3.12Å; E147-R151 VanDerWaalsContact O-CG 3.26Å; E147-R151 WeakPolarHBondContact O-CG 3.44Å; E147-R151 PolarHBondContact O-N 2.96Å; E147-R151 IonicContact OE2-CZ 2.78Å; E147-R151 VanDerWaalsContact OE2-CZ 3.27Å; E147-R151 IonicContact OE2-NH1 3.27Å; E147-R151 PolarHBondContact OE2-NH1 3.23Å; E147-R151 IonicContact OE2-NH2 3.37Å; E147-R151 PolarHBondContact OE2-NH2 3.33Å; F148-R151 PolarHBondContact O-N 3.48Å; R151-N154 PolarHBondContact O-ND2 2.81Å; R151-Y309 HydrophobicContact CG-CE2 4.44Å; R151-Y309 WeakPolarHBondContact CG-OH 3.32Å
152V97Very high97Very high51 Ų5143.6 Ų43.631%0.30920%0.199SC..Hα-helixtrans-81-47.1-174.7173.30000111.6F148 E149 N154 R158F148-V152 HydrophobicContact CD2-CG2 3.88Å; F148-V152 HydrophobicContact CE2-CG2 3.6Å; F148-V152 HydrophobicContact CZ-CG2 4Å; F148-V152 WeakPolarHBondContact O-CB 3.15Å; F148-V152 WeakPolarHBondContact O-CG2 3.34Å; F148-V152 PolarHBondContact O-N 3.46Å; E149-V152 PolarHBondContact O-N 2.89Å; V152-N154 VanDerWaalsContact C-N 3.29Å; V152-N154 PolarHBondContact O-N 2.71Å; V152-N154 VanDerWaalsContact O-N 3.11Å; V152-N154 PolarHBondContact O-OD1 3.18Å; V152-R158 WeakPolarHBondContact O-CD 3.1Å; V152-R158 PolarHBondContact O-NH1 3.02Å; V152-R158 VanDerWaalsContact O-NH1 3.1Å
153F97.2Very high97.1Very high19 Ų1943.4 Ų43.48%0.08320%0.198CC..SBendtrans-91.357.2-172.9-55.6-72.3000112.2F148 E149 R158 K159 I161 W162 F169 P308F148-F153 HydrophobicContact CE1-CE2 4.41Å; E149-F153 HydrophobicContact CB-CD2 4.17Å; E149-F153 HydrophobicContact CG-CD2 4.5Å; E149-F153 HydrophobicContact CG-CE2 4.41Å; E149-F153 WeakPolarHBondContact O-CB 3.41Å; E149-F153 VanDerWaalsContact O-CD2 3.22Å; E149-F153 WeakPolarHBondContact O-CD2 3.47Å; E149-F153 PolarHBondContact O-N 3.38Å; F153-R158 HydrophobicContact CB-CB 4.49Å; F153-R158 HydrophobicContact CD1-CB 4.02Å; F153-R158 WeakPolarHBondContact CD1-O 3.19Å; F153-K159 WeakPolarHBondContact O-CG 3.15Å; F153-I161 HydrophobicContact CE1-CG2 4.32Å; F153-W162 HydrophobicContact CB-CB 3.94Å; F153-W162 HydrophobicContact CB-CG 4.29Å; F153-W162 HydrophobicContact CD1-CB 3.78Å; F153-W162 HydrophobicContact CD2-CB 4.14Å; F153-W162 AromaticContact CD2-CD1 3.34Å; F153-W162 HydrophobicContact CD2-CG 4.06Å; F153-W162 HydrophobicContact CE1-CB 4.32Å; F153-W162 AromaticContact CE2-CD1 3.72Å; F153-W162 HydrophobicContact CG-CB 3.68Å; F153-W162 AromaticContact CG-CD1 3.79Å; F153-W162 HydrophobicContact CG-CG 4.06Å; F153-F169 HydrophobicContact CE1-CZ 4.28Å; F153-F169 AromaticContact CE2-CE1 3.77Å; F153-F169 HydrophobicContact CE2-CE1 3.77Å; F153-F169 HydrophobicContact CE2-CE2 4.1Å; F153-F169 AromaticContact CE2-CZ 3.49Å; F153-F169 HydrophobicContact CE2-CZ 3.49Å; F153-F169 VanDerWaalsContact CE2-CZ 3.49Å; F153-F169 AromaticContact CZ-CE1 3.95Å; F153-F169 HydrophobicContact CZ-CE1 3.95Å; F153-F169 HydrophobicContact CZ-CE2 4Å; F153-F169 AromaticContact CZ-CZ 3.31Å; F153-F169 HydrophobicContact CZ-CZ 3.31Å; F153-P308 HydrophobicContact CB-CG 4.21Å
154N95.3Very high97.1Very high40 Ų4045.4 Ų45.421%0.21421%0.208CC..  trans-111.918.3-170.967.5-3.1000114.9Y4 V5 R151 V152 R158Y4-N154 CarbonylContact C-O 3.57Å; Y4-N154 WeakPolarHBondContact CA-O 3.29Å; V5-N154 HydrophobicContact CB-CB 4.29Å; V5-N154 HydrophobicContact CG2-CB 4.32Å; V5-N154 PolarHBondContact N-O 3.43Å; R151-N154 PolarHBondContact O-ND2 2.81Å; V152-N154 VanDerWaalsContact C-N 3.29Å; V152-N154 PolarHBondContact O-N 2.71Å; V152-N154 VanDerWaalsContact O-N 3.11Å; V152-N154 PolarHBondContact O-OD1 3.18Å; N154-R158 PolarHBondContact OD1-NH1 3.06Å
155T96.5Very high97.1Very high6 Ų649.5 Ų49.54%0.03723%0.226CC..BIsolated β-bridgetrans-135.6159173.958.80000109.4Y4 F157 R158 K159Y4-T155 HydrophobicContact CD1-CG2 3.56Å; Y4-T155 HydrophobicContact CD2-CG2 4.42Å; Y4-T155 HydrophobicContact CE1-CG2 3.42Å; Y4-T155 VanDerWaalsContact CE1-CG2 3.42Å; Y4-T155 HydrophobicContact CE2-CG2 4.31Å; Y4-T155 HydrophobicContact CG-CG2 4.08Å; T155-F157 VanDerWaalsContact C-N 3.33Å; T155-F157 PolarHBondContact O-N 2.67Å; T155-R158 PolarHBondContact O-N 3.06Å; T155-R158 VanDerWaalsContact O-N 3.1Å; T155-R158 VanDerWaalsContact OG1-CG 3.3Å; T155-R158 WeakPolarHBondContact OG1-CG 3.2Å; T155-R158 PolarHBondContact OG1-NE 3.32Å; T155-K159 WeakPolarHBondContact O-CB 3.34Å; T155-K159 WeakPolarHBondContact O-CG 3.26Å; T155-K159 PolarHBondContact O-N 3.3Å
156A97Very high97Very high9 Ų949.9 Ų49.97%0.07423%0.228CC..Hα-helixtrans-52.1-47-178.600000114R158 K159 F160 V301 F302A156-R158 PolarHBondContact O-N 3.3Å; A156-K159 PolarHBondContact O-N 3.47Å; A156-F160 PolarHBondContact O-N 3.2Å; A156-V301 VanDerWaalsContact CA-O 3.23Å; A156-V301 WeakPolarHBondContact CA-O 3.42Å; A156-V301 HydrophobicContact CB-CG1 4.36Å; A156-V301 WeakPolarHBondContact CB-O 3.31Å; A156-F302 HydrophobicContact CB-CD1 4.29Å
157F97.3Very high96.9Very high141 Ų14150.3 Ų50.362%0.61823%0.23SC*.Hα-helixtrans-61.8-46.1178.1175.6-110000112T155 F160 I161T155-F157 VanDerWaalsContact C-N 3.33Å; T155-F157 PolarHBondContact O-N 2.67Å; F157-F160 WeakPolarHBondContact O-CB 3.35Å; F157-F160 PolarHBondContact O-N 3.1Å; F157-I161 HydrophobicContact CE1-CG1 4.18Å; F157-I161 HydrophobicContact CE2-CD1 4.21Å; F157-I161 HydrophobicContact CE2-CG1 4.39Å; F157-I161 HydrophobicContact CZ-CD1 4.05Å; F157-I161 HydrophobicContact CZ-CG1 4.08Å; F157-I161 WeakPolarHBondContact O-CG1 3.4Å; F157-I161 PolarHBondContact O-N 2.83Å
158R98Very high97Very high90 Ų9048.5 Ų48.534%0.3423%0.226SC..Hα-helixtrans-70.4-37.4-179.4-61.4179.2-143.9169.46.5111.7V152 F153 N154 T155 A156 F160 I161 W162V152-R158 WeakPolarHBondContact O-CD 3.1Å; V152-R158 PolarHBondContact O-NH1 3.02Å; V152-R158 VanDerWaalsContact O-NH1 3.1Å; F153-R158 HydrophobicContact CB-CB 4.49Å; F153-R158 HydrophobicContact CD1-CB 4.02Å; F153-R158 WeakPolarHBondContact CD1-O 3.19Å; N154-R158 PolarHBondContact OD1-NH1 3.06Å; T155-R158 PolarHBondContact O-N 3.06Å; T155-R158 VanDerWaalsContact O-N 3.1Å; T155-R158 VanDerWaalsContact OG1-CG 3.3Å; T155-R158 WeakPolarHBondContact OG1-CG 3.2Å; T155-R158 PolarHBondContact OG1-NE 3.32Å; A156-R158 PolarHBondContact O-N 3.3Å; R158-F160 VanDerWaalsContact C-N 3.27Å; R158-F160 PolarHBondContact O-N 2.98Å; R158-I161 CarbonylContact O-C 3.34Å; R158-I161 WeakPolarHBondContact O-CA 3.11Å; R158-I161 WeakPolarHBondContact O-CB 3.42Å; R158-I161 PolarHBondContact O-N 3.35Å; R158-I161 VanDerWaalsContact O-N 3.11Å; R158-W162 PolarHBondContact O-N 3.43Å
159K98Very high97Very high1 Ų144.2 Ų44.20%0.00421%0.207CC..Hα-helixtrans-59.6-38.9172-72.9-169.4-64.7166.90111.6V5 F153 T155 A156 W162 L163 Y300 V301 N303 I306V5-K159 HydrophobicContact CG2-CD 3.87Å; F153-K159 WeakPolarHBondContact O-CG 3.15Å; T155-K159 WeakPolarHBondContact O-CB 3.34Å; T155-K159 WeakPolarHBondContact O-CG 3.26Å; T155-K159 PolarHBondContact O-N 3.3Å; A156-K159 PolarHBondContact O-N 3.47Å; K159-W162 WeakPolarHBondContact O-CB 3.47Å; K159-W162 PolarHBondContact O-N 3.21Å; K159-L163 PolarHBondContact O-N 2.8Å; K159-Y300 HydrophobicContact CB-CD1 4.3Å; K159-Y300 HydrophobicContact CB-CE1 3.98Å; K159-Y300 WeakPolarHBondContact CD-O 3.45Å; K159-Y300 WeakPolarHBondContact CE-O 3.37Å; K159-Y300 HydrophobicContact CG-CE1 4.35Å; K159-Y300 PolarHBondContact NZ-O 3Å; K159-V301 WeakPolarHBondContact CE-O 3.47Å; K159-V301 PolarHBondContact NZ-O 2.72Å; K159-N303 PolarHBondContact NZ-O 3.22Å; K159-I306 WeakPolarHBondContact CD-O 3.49Å; K159-I306 PolarHBondContact NZ-O 3.5Å
160F97.9Very high96.8Very high80 Ų8046.8 Ų46.835%0.35122%0.217SC..Hα-helixtrans-64.1-42.7172.2-179.7-108000112.6A156 F157 R158 W162 L163 L164 V222 V301A156-F160 PolarHBondContact O-N 3.2Å; F157-F160 WeakPolarHBondContact O-CB 3.35Å; F157-F160 PolarHBondContact O-N 3.1Å; R158-F160 VanDerWaalsContact C-N 3.27Å; R158-F160 PolarHBondContact O-N 2.98Å; F160-W162 VanDerWaalsContact C-N 3.29Å; F160-W162 PolarHBondContact O-N 3.34Å; F160-L163 WeakPolarHBondContact O-CB 3.29Å; F160-L163 PolarHBondContact O-N 3.39Å; F160-L164 HydrophobicContact CD1-CD1 4.13Å; F160-L164 HydrophobicContact CE1-CD1 3.7Å; F160-L164 HydrophobicContact CE1-CG 4.19Å; F160-L164 HydrophobicContact CZ-CD1 4.2Å; F160-L164 HydrophobicContact CZ-CD2 4.26Å; F160-L164 HydrophobicContact CZ-CG 4.25Å; F160-L164 PolarHBondContact O-N 3.23Å; F160-V222 HydrophobicContact CD2-CG2 4.47Å; F160-V222 HydrophobicContact CE2-CG1 4.25Å; F160-V222 HydrophobicContact CE2-CG2 3.92Å; F160-V301 HydrophobicContact CB-CG1 4.13Å; F160-V301 HydrophobicContact CB-CG2 4.22Å; F160-V301 HydrophobicContact CD2-CG2 4.3Å
161I97.9Very high96.8Very high50 Ų5049.5 Ų49.526%0.25624%0.239SC..Hα-helixtrans-59.8-40.8171.7-61.7-54.6000111.2F153 F157 R158 L163 L164 F165F153-I161 HydrophobicContact CE1-CG2 4.32Å; F157-I161 HydrophobicContact CE1-CG1 4.18Å; F157-I161 HydrophobicContact CE2-CD1 4.21Å; F157-I161 HydrophobicContact CE2-CG1 4.39Å; F157-I161 HydrophobicContact CZ-CD1 4.05Å; F157-I161 HydrophobicContact CZ-CG1 4.08Å; F157-I161 WeakPolarHBondContact O-CG1 3.4Å; F157-I161 PolarHBondContact O-N 2.83Å; R158-I161 CarbonylContact O-C 3.34Å; R158-I161 WeakPolarHBondContact O-CA 3.11Å; R158-I161 WeakPolarHBondContact O-CB 3.42Å; R158-I161 PolarHBondContact O-N 3.35Å; R158-I161 VanDerWaalsContact O-N 3.11Å; I161-L163 VanDerWaalsContact C-N 3.32Å; I161-L163 PolarHBondContact O-N 2.94Å; I161-L164 HydrophobicContact CD1-CD1 4.05Å; I161-L164 WeakPolarHBondContact O-CB 3.48Å; I161-L164 PolarHBondContact O-N 2.86Å; I161-F165 HydrophobicContact CG2-CD2 4.01Å; I161-F165 HydrophobicContact CG2-CE2 4.28Å; I161-F165 WeakPolarHBondContact O-CD2 3.44Å; I161-F165 PolarHBondContact O-N 2.72Å
162W97.7Very high96.8Very high0 Ų048.6 Ų48.60%024%0.239CC..Hα-helixtrans-59.1-43.7175.8-175.288.5000111.5P145 E149 F153 R158 K159 F160 L164 F165 Q166 F169 I230 Y234 Y300P145-W162 HydrophobicContact CG-CZ2 4.48Å; E149-W162 PolarHBondContact OE2-NE1 3.2Å; F153-W162 HydrophobicContact CB-CB 3.94Å; F153-W162 HydrophobicContact CB-CG 4.29Å; F153-W162 HydrophobicContact CD1-CB 3.78Å; F153-W162 HydrophobicContact CD2-CB 4.14Å; F153-W162 AromaticContact CD2-CD1 3.34Å; F153-W162 HydrophobicContact CD2-CG 4.06Å; F153-W162 HydrophobicContact CE1-CB 4.32Å; F153-W162 AromaticContact CE2-CD1 3.72Å; F153-W162 HydrophobicContact CG-CB 3.68Å; F153-W162 AromaticContact CG-CD1 3.79Å; F153-W162 HydrophobicContact CG-CG 4.06Å; R158-W162 PolarHBondContact O-N 3.43Å; K159-W162 WeakPolarHBondContact O-CB 3.47Å; K159-W162 PolarHBondContact O-N 3.21Å; F160-W162 VanDerWaalsContact C-N 3.29Å; F160-W162 PolarHBondContact O-N 3.34Å; W162-L164 PolarHBondContact O-N 2.97Å; W162-F165 CarbonylContact O-C 3.53Å; W162-F165 PolarHBondContact O-N 3.46Å; W162-Q166 VanDerWaalsContact CE2-OE1 3.28Å; W162-Q166 HydrophobicContact CH2-CG 4.48Å; W162-Q166 HydrophobicContact CZ3-CG 4.38Å; W162-Q166 VanDerWaalsContact CZ3-OE1 3.3Å; W162-Q166 WeakPolarHBondContact O-CA 3.48Å; W162-Q166 PolarHBondContact O-N 2.87Å; W162-F169 HydrophobicContact CB-CE2 4.42Å; W162-F169 AromaticContact CD1-CD2 3.41Å; W162-F169 VanDerWaalsContact CD1-CD2 3.41Å; W162-F169 AromaticContact CD1-CE2 3.53Å; W162-F169 HydrophobicContact CG-CD2 4.05Å; W162-F169 HydrophobicContact CG-CE2 4.09Å; W162-F169 AromaticContact NE1-CD2 3.6Å; W162-F169 AromaticContact NE1-CG 3.85Å; W162-I230 HydrophobicContact CZ3-CD1 4.46Å; W162-I230 HydrophobicContact CZ3-CG1 4.46Å; W162-Y234 WeakPolarHBondContact CH2-OH 3.37Å; W162-Y234 WeakPolarHBondContact CZ2-OH 3.36Å; W162-Y300 HydrophobicContact CD2-CE1 4.27Å; W162-Y300 VanDerWaalsContact CD2-OH 3.29Å; W162-Y300 AromaticContact CE3-CE1 3.42Å; W162-Y300 HydrophobicContact CE3-CE1 3.42Å; W162-Y300 VanDerWaalsContact CE3-CE1 3.42Å; W162-Y300 AromaticContact CE3-CZ 3.49Å; W162-Y300 VanDerWaalsContact CE3-CZ 3.49Å; W162-Y300 AromaticContact CZ3-CE1 3.74Å; W162-Y300 HydrophobicContact CZ3-CE1 3.74Å; W162-Y300 HydrophobicContact CZ3-CE2 4.29Å; W162-Y300 AromaticContact CZ3-CZ 3.53Å; W162-Y300 WeakPolarHBondContact CZ3-OH 3.47Å
163L97.6Very high96.8Very high4 Ų446.3 Ų46.32%0.02123%0.225CC..Hα-helixtrans-61.4-40.5175-67.6-177.9000113.1K159 F160 I161 F165 Q166 G221 V222 I230 L297 Y300 V301K159-L163 PolarHBondContact O-N 2.8Å; F160-L163 WeakPolarHBondContact O-CB 3.29Å; F160-L163 PolarHBondContact O-N 3.39Å; I161-L163 VanDerWaalsContact C-N 3.32Å; I161-L163 PolarHBondContact O-N 2.94Å; L163-F165 PolarHBondContact O-N 3.27Å; L163-Q166 WeakPolarHBondContact O-CB 3.36Å; L163-Q166 PolarHBondContact O-N 2.88Å; L163-G221 CarbonylContact O-C 3.56Å; L163-G221 WeakPolarHBondContact O-CA 3.35Å; L163-V222 HydrophobicContact CB-CG2 3.77Å; L163-I230 HydrophobicContact CD2-CD1 3.42Å; L163-I230 VanDerWaalsContact CD2-CD1 3.42Å; L163-L297 HydrophobicContact CD1-CD2 4.17Å; L163-L297 HydrophobicContact CD2-CD2 4.11Å; L163-Y300 HydrophobicContact CD1-CD1 3.96Å; L163-Y300 HydrophobicContact CD2-CD1 3.64Å; L163-Y300 HydrophobicContact CD2-CE1 3.81Å; L163-Y300 HydrophobicContact CD2-CG 4.45Å; L163-Y300 HydrophobicContact CG-CD1 3.76Å; L163-Y300 HydrophobicContact CG-CE1 3.96Å; L163-V301 HydrophobicContact CD1-CG2 3.46Å; L163-V301 VanDerWaalsContact CD1-CG2 3.46Å; L163-V301 HydrophobicContact CG-CG2 4.49Å
164L97.4Very high96.8Very high62 Ų6246.2 Ų46.233%0.32523%0.226SC..Hα-helixtrans-61-32.3177.6-72.7171.9000112.5F160 I161 W162 V222F160-L164 HydrophobicContact CD1-CD1 4.13Å; F160-L164 HydrophobicContact CE1-CD1 3.7Å; F160-L164 HydrophobicContact CE1-CG 4.19Å; F160-L164 HydrophobicContact CZ-CD1 4.2Å; F160-L164 HydrophobicContact CZ-CD2 4.26Å; F160-L164 HydrophobicContact CZ-CG 4.25Å; F160-L164 PolarHBondContact O-N 3.23Å; I161-L164 HydrophobicContact CD1-CD1 4.05Å; I161-L164 WeakPolarHBondContact O-CB 3.48Å; I161-L164 PolarHBondContact O-N 2.86Å; W162-L164 PolarHBondContact O-N 2.97Å; L164-V222 HydrophobicContact CD2-CB 4.36Å; L164-V222 HydrophobicContact CD2-CG2 3.64Å; L164-V222 HydrophobicContact CG-CG2 4.01Å
165F97Very high96.7Very high90 Ų9047.9 Ų47.940%0.39524%0.238SC..THydrogen-bonded Turntrans-110.518.6-178.5-67.3-80.7000112.9I161 W162 L163 V167 V168 F169 F217I161-F165 HydrophobicContact CG2-CD2 4.01Å; I161-F165 HydrophobicContact CG2-CE2 4.28Å; I161-F165 WeakPolarHBondContact O-CD2 3.44Å; I161-F165 PolarHBondContact O-N 2.72Å; W162-F165 CarbonylContact O-C 3.53Å; W162-F165 PolarHBondContact O-N 3.46Å; L163-F165 PolarHBondContact O-N 3.27Å; F165-V167 PolarHBondContact O-N 3.12Å; F165-V168 HydrophobicContact CB-CB 4.49Å; F165-V168 HydrophobicContact CD1-CG2 4.21Å; F165-V168 WeakPolarHBondContact O-CA 3.28Å; F165-V168 WeakPolarHBondContact O-CB 3.24Å; F165-V168 PolarHBondContact O-N 3.3Å; F165-F169 HydrophobicContact CB-CD2 4.26Å; F165-F169 HydrophobicContact CB-CE2 3.68Å; F165-F169 HydrophobicContact CB-CZ 4.33Å; F165-F169 VanDerWaalsContact O-CD2 3.22Å; F165-F169 WeakPolarHBondContact O-CD2 3.3Å; F165-F169 PolarHBondContact O-N 3.22Å; F165-F169 VanDerWaalsContact O-N 3.15Å; F165-F217 AromaticContact CD1-CZ 3.95Å; F165-F217 HydrophobicContact CD1-CZ 3.95Å; F165-F217 AromaticContact CE1-CZ 4Å; F165-F217 HydrophobicContact CE1-CZ 4Å
166Q95.8Very high96.7Very high8 Ų853.5 Ų53.54%0.03727%0.266CS..Hα-helixtrans-55.9-42.5-175.3170.458.8-6.900111.7W162 L163 V168 F169 Y170W162-Q166 VanDerWaalsContact CE2-OE1 3.28Å; W162-Q166 HydrophobicContact CH2-CG 4.48Å; W162-Q166 HydrophobicContact CZ3-CG 4.38Å; W162-Q166 VanDerWaalsContact CZ3-OE1 3.3Å; W162-Q166 WeakPolarHBondContact O-CA 3.48Å; W162-Q166 PolarHBondContact O-N 2.87Å; L163-Q166 WeakPolarHBondContact O-CB 3.36Å; L163-Q166 PolarHBondContact O-N 2.88Å; Q166-V168 PolarHBondContact O-N 3.43Å; Q166-F169 PolarHBondContact O-N 2.72Å; Q166-Y170 VanDerWaalsContact O-CB 3.26Å; Q166-Y170 WeakPolarHBondContact O-CB 3.42Å; Q166-Y170 PolarHBondContact O-N 3.4Å
167V95.3Very high96.6Very high30 Ų3055.1 Ų55.118%0.18227%0.274CS..Hα-helixtrans-54-36.4174.265.10000113.3F165 A171 F217 L220F165-V167 PolarHBondContact O-N 3.12Å; V167-A171 WeakPolarHBondContact O-CB 3.16Å; V167-A171 PolarHBondContact O-N 3.22Å; V167-F217 HydrophobicContact CG1-CD2 3.72Å; V167-F217 HydrophobicContact CG1-CE2 3.83Å; V167-F217 HydrophobicContact CG1-CG 4.43Å; V167-L220 HydrophobicContact CB-CB 3.74Å; V167-L220 HydrophobicContact CB-CD1 4.46Å; V167-L220 HydrophobicContact CG2-CB 3.89Å; V167-L220 HydrophobicContact CG2-CD1 3.67Å; V167-L220 HydrophobicContact CG2-CG 4.45Å; V167-L220 PolarHBondContact N-O 3.21Å
168V96.2Very high96.4Very high56 Ų5648.6 Ų48.634%0.33925%0.245SC..Hα-helixtrans-72.8-49.7179.1-178.60000109.8F165 Q166 Y170 A171 F172 F217F165-V168 HydrophobicContact CB-CB 4.49Å; F165-V168 HydrophobicContact CD1-CG2 4.21Å; F165-V168 WeakPolarHBondContact O-CA 3.28Å; F165-V168 WeakPolarHBondContact O-CB 3.24Å; F165-V168 PolarHBondContact O-N 3.3Å; Q166-V168 PolarHBondContact O-N 3.43Å; V168-Y170 PolarHBondContact O-N 3.13Å; V168-A171 PolarHBondContact O-N 3.22Å; V168-F172 HydrophobicContact CG1-CD2 3.86Å; V168-F172 HydrophobicContact CG1-CE2 4.08Å; V168-F172 VanDerWaalsContact O-CD2 3.28Å; V168-F172 WeakPolarHBondContact O-CD2 3.34Å; V168-F172 PolarHBondContact O-N 3.37Å; V168-F172 VanDerWaalsContact O-N 3.15Å; V168-F217 HydrophobicContact CG2-CE2 4.21Å
169F96.6Very high96.3Very high40 Ų4052.7 Ų52.718%0.17526%0.26CS..Hα-helixtrans-59.9-47.8178.5-63.3-61000111.5E149 F153 W162 F165 Q166 A171 F172 R173E149-F169 HydrophobicContact CG-CD1 3.93Å; E149-F169 HydrophobicContact CG-CE1 4.43Å; E149-F169 HydrophobicContact CG-CG 4.37Å; E149-F169 WeakPolarHBondContact OE2-CB 3.39Å; F153-F169 HydrophobicContact CE1-CZ 4.28Å; F153-F169 AromaticContact CE2-CE1 3.77Å; F153-F169 HydrophobicContact CE2-CE1 3.77Å; F153-F169 HydrophobicContact CE2-CE2 4.1Å; F153-F169 AromaticContact CE2-CZ 3.49Å; F153-F169 HydrophobicContact CE2-CZ 3.49Å; F153-F169 VanDerWaalsContact CE2-CZ 3.49Å; F153-F169 AromaticContact CZ-CE1 3.95Å; F153-F169 HydrophobicContact CZ-CE1 3.95Å; F153-F169 HydrophobicContact CZ-CE2 4Å; F153-F169 AromaticContact CZ-CZ 3.31Å; F153-F169 HydrophobicContact CZ-CZ 3.31Å; W162-F169 HydrophobicContact CB-CE2 4.42Å; W162-F169 AromaticContact CD1-CD2 3.41Å; W162-F169 VanDerWaalsContact CD1-CD2 3.41Å; W162-F169 AromaticContact CD1-CE2 3.53Å; W162-F169 HydrophobicContact CG-CD2 4.05Å; W162-F169 HydrophobicContact CG-CE2 4.09Å; W162-F169 AromaticContact NE1-CD2 3.6Å; W162-F169 AromaticContact NE1-CG 3.85Å; F165-F169 HydrophobicContact CB-CD2 4.26Å; F165-F169 HydrophobicContact CB-CE2 3.68Å; F165-F169 HydrophobicContact CB-CZ 4.33Å; F165-F169 VanDerWaalsContact O-CD2 3.22Å; F165-F169 WeakPolarHBondContact O-CD2 3.3Å; F165-F169 PolarHBondContact O-N 3.22Å; F165-F169 VanDerWaalsContact O-N 3.15Å; Q166-F169 PolarHBondContact O-N 2.72Å; F169-A171 VanDerWaalsContact C-N 3.35Å; F169-A171 PolarHBondContact O-N 3.17Å; F169-F172 PolarHBondContact O-N 3.04Å; F169-R173 WeakPolarHBondContact O-CB 3.36Å; F169-R173 PolarHBondContact O-N 3.41Å
170Y95.4Very high96.2Very high58 Ų5853.8 Ų53.823%0.22727%0.265CS..Hα-helixtrans-59-43.9178.6-161.8-89.5000112.2F124 D143 Q166 V168 P174 F229F124-Y170 HydrophobicContact CE2-CE1 4.42Å; D143-Y170 WeakPolarHBondContact OD1-CE2 3.35Å; D143-Y170 PolarHBondContact OD1-OH 3.14Å; Q166-Y170 VanDerWaalsContact O-CB 3.26Å; Q166-Y170 WeakPolarHBondContact O-CB 3.42Å; Q166-Y170 PolarHBondContact O-N 3.4Å; V168-Y170 PolarHBondContact O-N 3.13Å; Y170-P174 VanDerWaalsContact O-CD 3.28Å; Y170-P174 WeakPolarHBondContact O-CD 3.43Å; Y170-F229 HydrophobicContact CD2-CD1 4.4Å; Y170-F229 HydrophobicContact CE2-CD1 4.2Å; Y170-F229 HydrophobicContact CE2-CE1 4.36Å
171A95.1Very high96.2Very high58 Ų5852.2 Ų52.248%0.47927%0.267SS..Hα-helixtrans-67.4-37.2-178.300000113.6V167 V168 F169V167-A171 WeakPolarHBondContact O-CB 3.16Å; V167-A171 PolarHBondContact O-N 3.22Å; V168-A171 PolarHBondContact O-N 3.22Å; F169-A171 VanDerWaalsContact C-N 3.35Å; F169-A171 PolarHBondContact O-N 3.17Å
172F96Very high96.2Very high127 Ų12755.5 Ų55.556%0.55728%0.284SS*.Hα-helixtrans-94.2-22.3-174.7-73.9-72.5000114.2V168 F169 V175 I176V168-F172 HydrophobicContact CG1-CD2 3.86Å; V168-F172 HydrophobicContact CG1-CE2 4.08Å; V168-F172 VanDerWaalsContact O-CD2 3.28Å; V168-F172 WeakPolarHBondContact O-CD2 3.34Å; V168-F172 PolarHBondContact O-N 3.37Å; V168-F172 VanDerWaalsContact O-N 3.15Å; F169-F172 PolarHBondContact O-N 3.04Å; F172-V175 PolarHBondContact O-N 3.31Å; F172-I176 HydrophobicContact CB-CD1 4.22Å; F172-I176 WeakPolarHBondContact O-CG1 3.49Å; F172-I176 PolarHBondContact O-N 2.9Å
173R97.2Very high96.1Very high4 Ų455.9 Ų55.92%0.01529%0.287CS..Hα-helixtrans-51.7-44.3-179.2176.7-170.4-65.2152.610.4113.6T142 D143 I144 T146 E149 F169 V175 I176 I177T142-R173 WeakPolarHBondContact O-CD 3.33Å; T142-R173 VanDerWaalsContact O-CG 3.27Å; T142-R173 WeakPolarHBondContact O-CG 3.36Å; D143-R173 PolarHBondContact O-NH1 3.42Å; I144-R173 WeakPolarHBondContact O-CD 3.39Å; T146-R173 HydrophobicContact CG2-CG 4.35Å; E149-R173 IonicContact OE1-CZ 3.54Å; E149-R173 IonicContact OE1-NE 3.24Å; E149-R173 PolarHBondContact OE1-NE 3.02Å; E149-R173 IonicContact OE1-NH2 3.64Å; E149-R173 IonicContact OE2-CZ 3.93Å; E149-R173 IonicContact OE2-NE 3.31Å; E149-R173 IonicContact OE2-NH2 2.92Å; E149-R173 PolarHBondContact OE2-NH2 3.46Å; F169-R173 WeakPolarHBondContact O-CB 3.36Å; F169-R173 PolarHBondContact O-N 3.41Å; R173-V175 VanDerWaalsContact C-N 3.31Å; R173-V175 PolarHBondContact O-N 2.73Å; R173-I176 PolarHBondContact O-N 3.38Å; R173-I177 HydrophobicContact CG-CD1 3.47Å; R173-I177 VanDerWaalsContact CG-CD1 3.47Å; R173-I177 HydrophobicContact CG-CG1 4.18Å; R173-I177 WeakPolarHBondContact O-CB 3.14Å; R173-I177 WeakPolarHBondContact O-CG1 3.35Å; R173-I177 PolarHBondContact O-N 3.43Å
174P96.7Very high96.2Very high16 Ų1656.5 Ų56.510%0.10429%0.29CS..Hα-helixtrans-60.6-37.6175.7-23.833.7000113.9Y127 T142 Y170 I176 Y178 R179Y127-P174 HydrophobicContact CD1-CB 3.89Å; Y127-P174 HydrophobicContact CD2-CB 3.64Å; Y127-P174 HydrophobicContact CD2-CG 4.15Å; Y127-P174 HydrophobicContact CE1-CB 3.82Å; Y127-P174 HydrophobicContact CE2-CB 3.55Å; Y127-P174 HydrophobicContact CE2-CG 4.46Å; Y127-P174 HydrophobicContact CG-CB 3.8Å; Y127-P174 HydrophobicContact CG-CG 4.29Å; T142-P174 HydrophobicContact CG2-CB 4.21Å; Y170-P174 VanDerWaalsContact O-CD 3.28Å; Y170-P174 WeakPolarHBondContact O-CD 3.43Å; P174-I176 VanDerWaalsContact C-N 3.33Å; P174-I176 PolarHBondContact O-N 3.26Å; P174-Y178 CarbonylContact O-C 3.37Å; P174-Y178 PolarHBondContact O-N 2.74Å; P174-R179 PolarHBondContact O-N 2.86Å
175V94.2Very high96.2Very high76 Ų7653.8 Ų53.846%0.46128%0.275SS..Hα-helixtrans-72.2-29.2179.5-175.50000111.7F172 R173 R179F172-V175 PolarHBondContact O-N 3.31Å; R173-V175 VanDerWaalsContact C-N 3.31Å; R173-V175 PolarHBondContact O-N 2.73Å; V175-R179 HydrophobicContact CG1-CG 4.4Å
176I95.8Very high96.3Very high123 Ų12350.3 Ų50.363%0.63126%0.261SS*.Hα-helixtrans-79.1-45.2177.8-65.4166.6000111T146 F172 R173 P174T146-I176 HydrophobicContact CG2-CG2 4.34Å; F172-I176 HydrophobicContact CB-CD1 4.22Å; F172-I176 WeakPolarHBondContact O-CG1 3.49Å; F172-I176 PolarHBondContact O-N 2.9Å; R173-I176 PolarHBondContact O-N 3.38Å; P174-I176 VanDerWaalsContact C-N 3.33Å; P174-I176 PolarHBondContact O-N 3.26Å
177I94.8Very high96.4Very high44 Ų4454.7 Ų54.723%0.22628%0.283CS..Hα-helixtrans-82.5-48.8-172.4-64.9-178.5000111.6R139 T142 T146 R173R139-I177 HydrophobicContact CB-CG2 4.11Å; R139-I177 HydrophobicContact CG-CG2 4.48Å; T142-I177 HydrophobicContact CG2-CB 4.35Å; T142-I177 HydrophobicContact CG2-CG2 4.3Å; T146-I177 HydrophobicContact CG2-CD1 3.89Å; T146-I177 HydrophobicContact CG2-CG1 3.9Å; R173-I177 HydrophobicContact CG-CD1 3.47Å; R173-I177 VanDerWaalsContact CG-CD1 3.47Å; R173-I177 HydrophobicContact CG-CG1 4.18Å; R173-I177 WeakPolarHBondContact O-CB 3.14Å; R173-I177 WeakPolarHBondContact O-CG1 3.35Å; R173-I177 PolarHBondContact O-N 3.43Å
178Y94.7Very high96.6Very high3 Ų355 Ų551%0.01229%0.285CS..SBendtrans-148.669.9-169.1-178.6-157.1000111Y127 E130 R139 L140 T142 P174 K180 L320 D321 H322Y127-Y178 WeakPolarHBondContact CE1-O 3.1Å; Y127-Y178 PolarHBondContact OH-O 3.33Å; E130-Y178 WeakPolarHBondContact OE2-CE1 3.47Å; R139-Y178 WeakPolarHBondContact O-CB 3.22Å; L140-Y178 HydrophobicContact CD2-CD1 4.37Å; L140-Y178 HydrophobicContact CD2-CE1 3.66Å; T142-Y178 HydrophobicContact CG2-CD1 4.38Å; P174-Y178 CarbonylContact O-C 3.37Å; P174-Y178 PolarHBondContact O-N 2.74Å; Y178-K180 VanDerWaalsContact CE1-CE 3.46Å; Y178-K180 HydrophobicContact CE2-CG 4.31Å; Y178-K180 VanDerWaalsContact CZ-CE 3.41Å; Y178-K180 PolarHBondContact O-N 3.3Å; Y178-K180 VanDerWaalsContact O-N 3.12Å; Y178-K180 WeakPolarHBondContact OH-CE 3.19Å; Y178-L320 HydrophobicContact CD1-CD2 4.39Å; Y178-L320 HydrophobicContact CD2-CB 4.29Å; Y178-L320 HydrophobicContact CD2-CD1 4.21Å; Y178-L320 HydrophobicContact CD2-CD2 4.04Å; Y178-L320 HydrophobicContact CD2-CG 4.4Å; Y178-L320 HydrophobicContact CE1-CD2 4.21Å; Y178-L320 HydrophobicContact CE2-CB 3.66Å; Y178-L320 HydrophobicContact CE2-CD1 4.41Å; Y178-L320 HydrophobicContact CE2-CD2 3.86Å; Y178-L320 HydrophobicContact CE2-CG 4.17Å; Y178-L320 HydrophobicContact CG-CD2 4.3Å; Y178-D321 VanDerWaalsContact OH-C 3.32Å; Y178-D321 WeakPolarHBondContact OH-CA 3.5Å; Y178-D321 PolarHBondContact OH-N 3.3Å; Y178-D321 PolarHBondContact OH-O 2.78Å; Y178-H322 AromaticContact CD2-CE1 3.79Å; Y178-H322 AromaticContact CD2-ND1 3.99Å; Y178-H322 AromaticContact CE2-CE1 3.92Å; Y178-H322 AromaticContact CE2-ND1 3.95Å
179R95.7Very high96.7Very high176 Ų17652.4 Ų52.466%0.66427%0.269SS*.  trans-63.7113.4-179.4-175.1178.9178.4-172.9-0.2111.6P174 V175 H322P174-R179 PolarHBondContact O-N 2.86Å; V175-R179 HydrophobicContact CG1-CG 4.4Å; R179-H322 PolarHBondContact O-ND1 3.23Å
180K95.7Very high96.8Very high24 Ų2453.7 Ų53.710%0.10428%0.28CS..PPolyproline II helixtrans-93161169.6-68.5-177.4165.6-179.70112.9K126 Y127 E130 Y178 D321 V324K126-K180 HydrophobicContact CD-CB 4.01Å; K126-K180 HydrophobicContact CD-CD 3.81Å; K126-K180 HydrophobicContact CG-CD 3.87Å; Y127-K180 HydrophobicContact CE1-CD 4.03Å; Y127-K180 HydrophobicContact CE1-CG 4.14Å; Y127-K180 PolarHBondContact OH-N 3.44Å; E130-K180 IonicContact OE1-NZ 2.69Å; E130-K180 PolarHBondContact OE1-NZ 2.86Å; E130-K180 WeakPolarHBondContact OE2-CE 3.2Å; E130-K180 IonicContact OE2-NZ 2.71Å; E130-K180 PolarHBondContact OE2-NZ 3.44Å; Y178-K180 VanDerWaalsContact CE1-CE 3.46Å; Y178-K180 HydrophobicContact CE2-CG 4.31Å; Y178-K180 VanDerWaalsContact CZ-CE 3.41Å; Y178-K180 PolarHBondContact O-N 3.3Å; Y178-K180 VanDerWaalsContact O-N 3.12Å; Y178-K180 WeakPolarHBondContact OH-CE 3.19Å; K180-D321 WeakPolarHBondContact CE-O 3.31Å; K180-V324 HydrophobicContact CB-CG1 3.92Å; K180-V324 HydrophobicContact CD-CG1 4.42Å
181A97.5Very high97Very high48 Ų4854.5 Ų54.540%0.39729%0.291SS..PPolyproline II helixtrans-57.6158.5170.800000111.9K126 H322 V324K126-A181 PolarHBondContact NZ-O 2.97Å; A181-H322 WeakPolarHBondContact CB-O 2.87Å; A181-H322 PolarHBondContact N-O 3.16Å; A181-V324 HydrophobicContact CB-CG1 4.42Å; A181-V324 HydrophobicContact CB-CG2 3.91Å; A181-V324 WeakPolarHBondContact O-CG1 3.49Å
182I97Very high97.1Very high118 Ų11855.1 Ų55.161%0.60529%0.286SS*.PPolyproline II helixtrans-89123.9177.3-59.6174.5000107.8E186 I187I182-E186 HydrophobicContact CG2-CB 3.91Å; I182-I187 HydrophobicContact CG2-CG1 3.92Å
183S97.3Very high97.3Very high9 Ų949 Ų496%0.06326%0.259CS..PPolyproline II helixtrans-82.9158.517658.10000112.6L185 E186 I187 N326S183-L185 PolarHBondContact O-N 3.38Å; S183-E186 PolarHBondContact N-OE2 3.26Å; S183-E186 WeakPolarHBondContact O-CB 3.49Å; S183-E186 PolarHBondContact O-N 3.24Å; S183-E186 WeakPolarHBondContact OG-CG 3.27Å; S183-E186 PolarHBondContact OG-N 2.88Å; S183-E186 PolarHBondContact OG-OE2 3.12Å; S183-I187 PolarHBondContact O-N 3.47Å; S183-N326 WeakPolarHBondContact CA-OD1 3.32Å
184D97.9Very high97.4Very high17 Ų1753.1 Ų53.19%0.09128%0.28CS..Hα-helixtrans-49.8-42.1169.856.45.1000113.4I187 V188 N326 P327 L328 V329D184-I187 WeakPolarHBondContact O-CB 3.4Å; D184-I187 PolarHBondContact O-N 3.47Å; D184-V188 WeakPolarHBondContact O-CG2 3.07Å; D184-V188 PolarHBondContact O-N 2.9Å; D184-N326 HydrophobicContact CB-CB 4.33Å; D184-N326 VanDerWaalsContact CG-CA 3.5Å; D184-N326 PolarHBondContact N-OD1 2.58Å; D184-N326 WeakPolarHBondContact OD1-CA 3.43Å; D184-N326 VanDerWaalsContact OD2-CA 3.28Å; D184-N326 WeakPolarHBondContact OD2-CA 3.34Å; D184-N326 WeakPolarHBondContact OD2-CB 3.49Å; D184-P327 WeakPolarHBondContact OD1-CD 3.45Å; D184-L328 HydrophobicContact CB-CB 4.35Å; D184-L328 VanDerWaalsContact OD2-CA 3.3Å; D184-L328 WeakPolarHBondContact OD2-CA 3.47Å; D184-L328 VanDerWaalsContact OD2-CB 3.24Å; D184-L328 WeakPolarHBondContact OD2-CB 3.45Å; D184-L328 PolarHBondContact OD2-N 3.25Å; D184-V329 HydrophobicContact CB-CG2 4.23Å; D184-V329 PolarHBondContact OD2-N 3.4Å
185L98.5Very high97.5Very high4 Ų456.3 Ų56.32%0.02130%0.295CS..Hα-helixtrans-72.8-28.3178.7-68.8-177.9000112.9L103 R106 M110 V122 S183 I187 V188 N189 P327 L328L103-L185 HydrophobicContact CD2-CD1 4.04Å; R106-L185 HydrophobicContact CB-CD1 4Å; R106-L185 HydrophobicContact CG-CD1 3.7Å; M110-L185 HydrophobicContact CE-CB 4.01Å; M110-L185 HydrophobicContact CE-CD2 4.08Å; M110-L185 VanDerWaalsContact CE-O 3.26Å; M110-L185 WeakPolarHBondContact CE-O 3.31Å; V122-L185 HydrophobicContact CG1-CB 3.92Å; V122-L185 HydrophobicContact CG2-CB 4.24Å; S183-L185 PolarHBondContact O-N 3.38Å; L185-I187 VanDerWaalsContact C-N 3.34Å; L185-V188 PolarHBondContact O-N 3.05Å; L185-N189 WeakPolarHBondContact O-CB 3.34Å; L185-N189 PolarHBondContact O-N 3.11Å; L185-P327 HydrophobicContact CD1-CB 4.22Å; L185-P327 HydrophobicContact CD1-CG 4.14Å; L185-L328 HydrophobicContact CD2-CB 3.86Å; L185-L328 HydrophobicContact CD2-CD2 4.39Å; L185-L328 HydrophobicContact CG-CB 4.36Å
186E98.4Very high97.7Very high18 Ų1854.4 Ų54.48%0.08428%0.281CS..Hα-helixtrans-64.5-41.9169.8-78.5169.5115.100110.7V122 S123 K126 I182 S183 V188 N189 V190V122-E186 HydrophobicContact CB-CG 3.96Å; V122-E186 HydrophobicContact CG1-CG 3.72Å; S123-E186 WeakPolarHBondContact CB-OE1 3.14Å; S123-E186 PolarHBondContact OG-OE1 2.84Å; K126-E186 IonicContact NZ-OE1 3.29Å; K126-E186 PolarHBondContact NZ-OE1 2.83Å; K126-E186 IonicContact NZ-OE2 2.69Å; K126-E186 PolarHBondContact NZ-OE2 3.11Å; I182-E186 HydrophobicContact CG2-CB 3.91Å; S183-E186 PolarHBondContact N-OE2 3.26Å; S183-E186 WeakPolarHBondContact O-CB 3.49Å; S183-E186 PolarHBondContact O-N 3.24Å; S183-E186 WeakPolarHBondContact OG-CG 3.27Å; S183-E186 PolarHBondContact OG-N 2.88Å; S183-E186 PolarHBondContact OG-OE2 3.12Å; E186-V188 PolarHBondContact O-N 3.47Å; E186-N189 PolarHBondContact O-N 3.33Å; E186-V190 WeakPolarHBondContact O-CG2 3.43Å; E186-V190 PolarHBondContact O-N 2.87Å
187I98.6Very high97.8Very high100 Ų10049.5 Ų49.551%0.51326%0.256SS..Hα-helixtrans-60.6-46.5174.9-61.4170.4000110.2I182 S183 D184 L185 N189 V190 V191I182-I187 HydrophobicContact CG2-CG1 3.92Å; S183-I187 PolarHBondContact O-N 3.47Å; D184-I187 WeakPolarHBondContact O-CB 3.4Å; D184-I187 PolarHBondContact O-N 3.47Å; L185-I187 VanDerWaalsContact C-N 3.34Å; I187-N189 VanDerWaalsContact C-N 3.34Å; I187-N189 PolarHBondContact O-N 3.08Å; I187-V190 PolarHBondContact O-N 3.26Å; I187-V191 WeakPolarHBondContact O-CG2 3.33Å; I187-V191 PolarHBondContact O-N 2.86Å
188V98.7Very high98Very high36 Ų3653.1 Ų53.122%0.21827%0.268CS..Hα-helixtrans-61.1-42.5176.3175.40000111.6F107 M110 D184 L185 E186 V190 V191 L192 L328F107-V188 HydrophobicContact CE1-CG1 4.2Å; M110-V188 HydrophobicContact CE-CB 4.28Å; M110-V188 HydrophobicContact CE-CG1 4.19Å; M110-V188 HydrophobicContact SD-CG1 3.94Å; D184-V188 WeakPolarHBondContact O-CG2 3.07Å; D184-V188 PolarHBondContact O-N 2.9Å; L185-V188 PolarHBondContact O-N 3.05Å; E186-V188 PolarHBondContact O-N 3.47Å; V188-V190 VanDerWaalsContact C-N 3.32Å; V188-V190 PolarHBondContact O-N 3.38Å; V188-V191 PolarHBondContact O-N 3.13Å; V188-L192 HydrophobicContact CG1-CD1 3.88Å; V188-L192 HydrophobicContact CG1-CG 4.23Å; V188-L192 WeakPolarHBondContact O-CB 3.37Å; V188-L192 WeakPolarHBondContact O-CG 3.41Å; V188-L192 PolarHBondContact O-N 3.2Å; V188-L328 HydrophobicContact CG2-CD2 3.77Å
189N98.7Very high98.2Very high1 Ų158 Ų581%0.00529%0.287CS..Hα-helixtrans-60.2-44.1177-164.2164.1000111M110 P119 S121 V122 L185 E186 I187 Q193M110-N189 HydrophobicContact CE-CB 4.17Å; M110-N189 HydrophobicContact CG-CB 4.02Å; M110-N189 HydrophobicContact SD-CB 4.44Å; P119-N189 HydrophobicContact CB-CB 4.34Å; P119-N189 WeakPolarHBondContact CB-ND2 3.28Å; S121-N189 PolarHBondContact N-OD1 3.48Å; S121-N189 PolarHBondContact OG-OD1 2.92Å; V122-N189 HydrophobicContact CG2-CB 3.97Å; V122-N189 PolarHBondContact N-OD1 2.8Å; L185-N189 WeakPolarHBondContact O-CB 3.34Å; L185-N189 PolarHBondContact O-N 3.11Å; E186-N189 PolarHBondContact O-N 3.33Å; I187-N189 VanDerWaalsContact C-N 3.34Å; I187-N189 PolarHBondContact O-N 3.08Å; N189-Q193 WeakPolarHBondContact O-CB 3.26Å; N189-Q193 PolarHBondContact O-N 3.14Å
190V98.8Very high98.3Very high67 Ų6749.9 Ų49.941%0.40626%0.257SS..Hα-helixtrans-60.6-50.5177.2171.80000110.5P119 E186 I187 V188 L192 Q193 M194P119-V190 HydrophobicContact CB-CG2 4.1Å; P119-V190 HydrophobicContact CG-CB 4.24Å; P119-V190 HydrophobicContact CG-CG2 3.67Å; E186-V190 WeakPolarHBondContact O-CG2 3.43Å; E186-V190 PolarHBondContact O-N 2.87Å; I187-V190 PolarHBondContact O-N 3.26Å; V188-V190 VanDerWaalsContact C-N 3.32Å; V188-V190 PolarHBondContact O-N 3.38Å; V190-L192 PolarHBondContact O-N 3.36Å; V190-Q193 PolarHBondContact O-N 3.3Å; V190-M194 HydrophobicContact CG1-CG 4.21Å; V190-M194 VanDerWaalsContact O-CG 3.28Å; V190-M194 WeakPolarHBondContact O-CG 3.39Å; V190-M194 PolarHBondContact O-N 3.34Å
191V98.9Very high98.5Very high76 Ų7653 Ų5346%0.46127%0.271SS..Hα-helixtrans-58.6-49.8-179.7171.60000111.2I187 V188 Q193 M194 L195I187-V191 WeakPolarHBondContact O-CG2 3.33Å; I187-V191 PolarHBondContact O-N 2.86Å; V188-V191 PolarHBondContact O-N 3.13Å; V191-Q193 VanDerWaalsContact C-N 3.34Å; V191-Q193 PolarHBondContact O-N 2.86Å; V191-M194 PolarHBondContact O-N 3.41Å; V191-L195 HydrophobicContact CG1-CD1 4Å; V191-L195 HydrophobicContact CG1-CG 4.46Å; V191-L195 WeakPolarHBondContact O-CG 3.29Å; V191-L195 PolarHBondContact O-N 2.87Å
192L98.8Very high98.5Very high70 Ų7055.6 Ų55.637%0.36627%0.274SS..Hα-helixtrans-60.9-42.1179.5-71.6177.5000112.2M110 V188 V190 L195 F196M110-L192 HydrophobicContact CB-CD1 4.25Å; M110-L192 HydrophobicContact SD-CD1 3.81Å; V188-L192 HydrophobicContact CG1-CD1 3.88Å; V188-L192 HydrophobicContact CG1-CG 4.23Å; V188-L192 WeakPolarHBondContact O-CB 3.37Å; V188-L192 WeakPolarHBondContact O-CG 3.41Å; V188-L192 PolarHBondContact O-N 3.2Å; V190-L192 PolarHBondContact O-N 3.36Å; L192-L195 PolarHBondContact O-N 2.8Å; L192-F196 WeakPolarHBondContact O-CB 3.4Å; L192-F196 PolarHBondContact O-N 2.61Å
193Q98.9Very high98.6Very high0 Ų058.5 Ų58.50%028%0.278CS..Hα-helixtrans-67.1-41.8178.4-172.264.858.400112N113 L114 V117 P119 N189 V190 V191 L195 F196 N197N113-Q193 PolarHBondContact ND2-OE1 2.64Å; N113-Q193 PolarHBondContact O-OE1 2.93Å; L114-Q193 PolarHBondContact O-NE2 3.42Å; V117-Q193 WeakPolarHBondContact O-CG 3.45Å; P119-Q193 HydrophobicContact CB-CB 3.73Å; P119-Q193 HydrophobicContact CB-CG 4.13Å; P119-Q193 HydrophobicContact CG-CB 4.3Å; P119-Q193 HydrophobicContact CG-CG 4.47Å; N189-Q193 WeakPolarHBondContact O-CB 3.26Å; N189-Q193 PolarHBondContact O-N 3.14Å; V190-Q193 PolarHBondContact O-N 3.3Å; V191-Q193 VanDerWaalsContact C-N 3.34Å; V191-Q193 PolarHBondContact O-N 2.86Å; Q193-L195 VanDerWaalsContact C-N 3.35Å; Q193-F196 PolarHBondContact O-N 2.68Å; Q193-N197 PolarHBondContact NE2-OD1 3.47Å; Q193-N197 WeakPolarHBondContact O-CB 3.4Å; Q193-N197 PolarHBondContact O-N 3.2Å; Q193-N197 PolarHBondContact O-OD1 2.99Å
194M98.8Very high98.6Very high90 Ų9060.3 Ų60.344%0.44329%0.285SS..Hα-helixtrans-66.1-38.8178.4-67.5-52.8109.600111.6P119 V190 V191 N197 Y198P119-M194 HydrophobicContact CG-CE 4.4Å; V190-M194 HydrophobicContact CG1-CG 4.21Å; V190-M194 VanDerWaalsContact O-CG 3.28Å; V190-M194 WeakPolarHBondContact O-CG 3.39Å; V190-M194 PolarHBondContact O-N 3.34Å; V191-M194 PolarHBondContact O-N 3.41Å; M194-N197 PolarHBondContact O-N 2.95Å; M194-Y198 VanDerWaalsContact O-CB 3.26Å; M194-Y198 WeakPolarHBondContact O-CB 3.46Å; M194-Y198 PolarHBondContact O-N 3.43Å
195L98.9Very high98.7Very high83 Ų8360.8 Ų60.844%0.43529%0.294SS..Hα-helixtrans-62.5-46.2173.1-71.6173.6000111.5V191 L192 Q193 Y198 Y199V191-L195 HydrophobicContact CG1-CD1 4Å; V191-L195 HydrophobicContact CG1-CG 4.46Å; V191-L195 WeakPolarHBondContact O-CG 3.29Å; V191-L195 PolarHBondContact O-N 2.87Å; L192-L195 PolarHBondContact O-N 2.8Å; Q193-L195 VanDerWaalsContact C-N 3.35Å; L195-Y198 WeakPolarHBondContact O-CB 3.44Å; L195-Y198 PolarHBondContact O-N 3.48Å; L195-Y199 WeakPolarHBondContact O-CD2 3.14Å; L195-Y199 PolarHBondContact O-N 3.38Å
196F98.8Very high98.6Very high35 Ų3566.3 Ų66.315%0.15432%0.321CS..Hα-helixtrans-60.3-48.6176.7178.7-95.3000111.9L114 L192 Q193 Y198 Y199 V200 L212L114-F196 HydrophobicContact CB-CD1 3.92Å; L114-F196 HydrophobicContact CB-CD2 3.87Å; L114-F196 HydrophobicContact CB-CE1 3.97Å; L114-F196 HydrophobicContact CB-CE2 3.91Å; L114-F196 HydrophobicContact CB-CG 3.87Å; L114-F196 HydrophobicContact CB-CZ 3.96Å; L114-F196 HydrophobicContact CD1-CD2 3.89Å; L114-F196 HydrophobicContact CD1-CE2 4.24Å; L114-F196 HydrophobicContact CD1-CG 4.41Å; L114-F196 HydrophobicContact CD2-CB 3.77Å; L114-F196 HydrophobicContact CD2-CD2 4.26Å; L114-F196 HydrophobicContact CD2-CG 3.95Å; L114-F196 HydrophobicContact CG-CD2 4.21Å; L114-F196 HydrophobicContact CG-CG 4.28Å; L114-F196 WeakPolarHBondContact O-CD1 3.49Å; L114-F196 WeakPolarHBondContact O-CE1 3.36Å; L192-F196 WeakPolarHBondContact O-CB 3.4Å; L192-F196 PolarHBondContact O-N 2.61Å; Q193-F196 PolarHBondContact O-N 2.68Å; F196-Y198 VanDerWaalsContact C-N 3.29Å; F196-Y198 PolarHBondContact O-N 3.44Å; F196-Y199 PolarHBondContact O-N 3.26Å; F196-V200 HydrophobicContact CD1-CG2 4.08Å; F196-V200 HydrophobicContact CE1-CG2 3.66Å; F196-V200 HydrophobicContact CE2-CG2 4.13Å; F196-V200 HydrophobicContact CG-CG2 4.48Å; F196-V200 HydrophobicContact CZ-CG2 3.7Å; F196-V200 WeakPolarHBondContact O-CG2 3.3Å; F196-V200 PolarHBondContact O-N 3.18Å; F196-L212 HydrophobicContact CE1-CD1 4.08Å; F196-L212 HydrophobicContact CZ-CD1 4.49Å
197N98.8Very high98.7Very high20 Ų2068.4 Ų68.411%0.10733%0.33CS..Hα-helixtrans-58.3-43177-68.3-5.6000111.4V117 Q193 M194 F201 L209V117-N197 PolarHBondContact O-ND2 3.04Å; Q193-N197 PolarHBondContact NE2-OD1 3.47Å; Q193-N197 WeakPolarHBondContact O-CB 3.4Å; Q193-N197 PolarHBondContact O-N 3.2Å; Q193-N197 PolarHBondContact O-OD1 2.99Å; M194-N197 PolarHBondContact O-N 2.95Å; N197-F201 WeakPolarHBondContact O-CB 3.48Å; N197-F201 PolarHBondContact O-N 3.21Å; N197-L209 HydrophobicContact CB-CD1 4.2Å
198Y98.8Very high98.7Very high121 Ų12163.7 Ų63.748%0.47531%0.305SS..Hα-helixtrans-59.3-50.2175.9173.1-98000111.5M194 L195 F196 F201 Q202M194-Y198 VanDerWaalsContact O-CB 3.26Å; M194-Y198 WeakPolarHBondContact O-CB 3.46Å; M194-Y198 PolarHBondContact O-N 3.43Å; L195-Y198 WeakPolarHBondContact O-CB 3.44Å; L195-Y198 PolarHBondContact O-N 3.48Å; F196-Y198 VanDerWaalsContact C-N 3.29Å; F196-Y198 PolarHBondContact O-N 3.44Å; Y198-F201 WeakPolarHBondContact O-CB 3.49Å; Y198-F201 PolarHBondContact O-N 3.45Å; Y198-Q202 HydrophobicContact CD1-CG 4.21Å; Y198-Q202 HydrophobicContact CD2-CG 4.19Å; Y198-Q202 HydrophobicContact CE1-CG 3.82Å; Y198-Q202 HydrophobicContact CE2-CG 3.8Å; Y198-Q202 HydrophobicContact CG-CG 4.38Å; Y198-Q202 VanDerWaalsContact O-CG 3.29Å; Y198-Q202 WeakPolarHBondContact O-CG 3.42Å; Y198-Q202 PolarHBondContact O-N 2.93Å
199Y98.8Very high98.6Very high104 Ų10463.4 Ų63.441%0.40830%0.303SS..Hα-helixtrans-68.2-36.8-179.6-74.7-63.5000113.3L195 F196 F201 Q202 W203L195-Y199 WeakPolarHBondContact O-CD2 3.14Å; L195-Y199 PolarHBondContact O-N 3.38Å; F196-Y199 PolarHBondContact O-N 3.26Å; Y199-F201 VanDerWaalsContact C-N 3.31Å; Y199-F201 PolarHBondContact O-N 3.25Å; Y199-Q202 PolarHBondContact O-N 3.27Å; Y199-W203 HydrophobicContact CD1-CD2 4.39Å; Y199-W203 AromaticContact CD1-CE2 3.7Å; Y199-W203 AromaticContact CD1-CH2 3.82Å; Y199-W203 HydrophobicContact CD1-CH2 3.82Å; Y199-W203 AromaticContact CD1-CZ2 3.39Å; Y199-W203 HydrophobicContact CD1-CZ2 3.39Å; Y199-W203 HydrophobicContact CD1-CZ3 4.47Å; Y199-W203 HydrophobicContact CE1-CH2 4.42Å; Y199-W203 AromaticContact CE1-CZ2 3.87Å; Y199-W203 HydrophobicContact CE1-CZ2 3.87Å; Y199-W203 HydrophobicContact CG-CH2 4.12Å; Y199-W203 HydrophobicContact CG-CZ2 4.14Å; Y199-W203 HydrophobicContact CG-CZ3 4.45Å; Y199-W203 WeakPolarHBondContact O-CB 3.3Å; Y199-W203 PolarHBondContact O-N 3.39Å
200V98.7Very high98.6Very high6 Ų664.3 Ų64.34%0.03631%0.31CS..Hα-helixtrans-59.6-45171169.40000110.4F196 F204 G205 A208 L209 L212F196-V200 HydrophobicContact CD1-CG2 4.08Å; F196-V200 HydrophobicContact CE1-CG2 3.66Å; F196-V200 HydrophobicContact CE2-CG2 4.13Å; F196-V200 HydrophobicContact CG-CG2 4.48Å; F196-V200 HydrophobicContact CZ-CG2 3.7Å; F196-V200 WeakPolarHBondContact O-CG2 3.3Å; F196-V200 PolarHBondContact O-N 3.18Å; V200-F204 HydrophobicContact CG1-CD2 4.16Å; V200-F204 WeakPolarHBondContact O-CA 3.21Å; V200-F204 WeakPolarHBondContact O-CB 3.46Å; V200-F204 PolarHBondContact O-N 3.2Å; V200-G205 PolarHBondContact O-N 2.98Å; V200-A208 HydrophobicContact CG1-CB 4.31Å; V200-L209 HydrophobicContact CG1-CB 4.25Å; V200-L209 HydrophobicContact CG1-CD1 4.44Å; V200-L212 HydrophobicContact CG1-CD1 4.26Å; V200-L212 HydrophobicContact CG2-CD1 4.46Å
201F98.6Very high98.6Very high90 Ų9061.1 Ų61.140%0.39529%0.291SS..Hα-helixtrans-63.8-45177178.8-95.5000112.4N197 Y198 Y199 G205 M206 L209N197-F201 WeakPolarHBondContact O-CB 3.48Å; N197-F201 PolarHBondContact O-N 3.21Å; Y198-F201 WeakPolarHBondContact O-CB 3.49Å; Y198-F201 PolarHBondContact O-N 3.45Å; Y199-F201 VanDerWaalsContact C-N 3.31Å; Y199-F201 PolarHBondContact O-N 3.25Å; F201-G205 WeakPolarHBondContact O-CA 3.48Å; F201-G205 PolarHBondContact O-N 2.69Å; F201-M206 HydrophobicContact CD2-CB 4.42Å; F201-M206 HydrophobicContact CD2-SD 4.35Å; F201-M206 HydrophobicContact CE2-CB 4.06Å; F201-M206 HydrophobicContact CE2-SD 4.23Å; F201-L209 HydrophobicContact CB-CD2 4.37Å
202Q98.6Very high98.6Very high102 Ų10257.5 Ų57.548%0.47727%0.269SS..Hα-helixtrans-67.6-37.9-178.9-68.5-60.5-33.400112.8Y198 Y199Y198-Q202 HydrophobicContact CD1-CG 4.21Å; Y198-Q202 HydrophobicContact CD2-CG 4.19Å; Y198-Q202 HydrophobicContact CE1-CG 3.82Å; Y198-Q202 HydrophobicContact CE2-CG 3.8Å; Y198-Q202 HydrophobicContact CG-CG 4.38Å; Y198-Q202 VanDerWaalsContact O-CG 3.29Å; Y198-Q202 WeakPolarHBondContact O-CG 3.42Å; Y198-Q202 PolarHBondContact O-N 2.93Å; Y199-Q202 PolarHBondContact O-N 3.27Å
203W98.4Very high98.6Very high179 Ų17958.3 Ų58.368%0.67827%0.27SS*.Hα-helixtrans-95.8-34.2-173.5-60.2-20.2000113.7Y199Y199-W203 HydrophobicContact CD1-CD2 4.39Å; Y199-W203 AromaticContact CD1-CE2 3.7Å; Y199-W203 AromaticContact CD1-CH2 3.82Å; Y199-W203 HydrophobicContact CD1-CH2 3.82Å; Y199-W203 AromaticContact CD1-CZ2 3.39Å; Y199-W203 HydrophobicContact CD1-CZ2 3.39Å; Y199-W203 HydrophobicContact CD1-CZ3 4.47Å; Y199-W203 HydrophobicContact CE1-CH2 4.42Å; Y199-W203 AromaticContact CE1-CZ2 3.87Å; Y199-W203 HydrophobicContact CE1-CZ2 3.87Å; Y199-W203 HydrophobicContact CG-CH2 4.12Å; Y199-W203 HydrophobicContact CG-CZ2 4.14Å; Y199-W203 HydrophobicContact CG-CZ3 4.45Å; Y199-W203 WeakPolarHBondContact O-CB 3.3Å; Y199-W203 PolarHBondContact O-N 3.39Å
204F98.3Very high98.6Very high47 Ų4760 Ų6021%0.20628%0.278CS..Hα-helixtrans-115.1-10.8-176.2-49-25.2000113A58 Y59 K62 V200 A208A58-F204 HydrophobicContact CB-CD2 4.35Å; Y59-F204 AromaticContact CD2-CD1 3.83Å; Y59-F204 HydrophobicContact CD2-CD1 3.83Å; Y59-F204 AromaticContact CD2-CE1 3.75Å; Y59-F204 HydrophobicContact CD2-CE1 3.75Å; Y59-F204 HydrophobicContact CD2-CZ 4.46Å; Y59-F204 HydrophobicContact CG-CE1 4.39Å; K62-F204 HydrophobicContact CB-CB 4.3Å; K62-F204 VanDerWaalsContact CB-O 3.23Å; K62-F204 WeakPolarHBondContact CB-O 3.36Å; V200-F204 HydrophobicContact CG1-CD2 4.16Å; V200-F204 WeakPolarHBondContact O-CA 3.21Å; V200-F204 WeakPolarHBondContact O-CB 3.46Å; V200-F204 PolarHBondContact O-N 3.2Å; F204-A208 HydrophobicContact CB-CB 3.38Å; F204-A208 HydrophobicContact CD2-CB 4.43Å; F204-A208 HydrophobicContact CG-CB 4.4Å
205G98.3Very high98.6Very high27 Ų2755.7 Ų55.728%0.27826%0.257SS..Hα-helixtrans79.6176.3176.400000115.1V200 F201 K207 A208 L209V200-G205 PolarHBondContact O-N 2.98Å; F201-G205 WeakPolarHBondContact O-CA 3.48Å; F201-G205 PolarHBondContact O-N 2.69Å; G205-K207 VanDerWaalsContact C-N 3.32Å; G205-K207 PolarHBondContact O-N 2.98Å; G205-A208 PolarHBondContact O-N 3.09Å; G205-L209 PolarHBondContact O-N 2.65Å
206M98.1Very high98.4Very high121 Ų12152.1 Ų52.160%0.59624%0.239SC*.Hα-helixtrans-61.5-35.2-171.5-174.756.8133.500113.8F201 A208 L209 A210F201-M206 HydrophobicContact CD2-CB 4.42Å; F201-M206 HydrophobicContact CD2-SD 4.35Å; F201-M206 HydrophobicContact CE2-CB 4.06Å; F201-M206 HydrophobicContact CE2-SD 4.23Å; M206-A208 VanDerWaalsContact C-N 3.34Å; M206-A208 PolarHBondContact O-N 3.43Å; M206-L209 PolarHBondContact O-N 2.63Å; M206-A210 VanDerWaalsContact O-CB 3.24Å; M206-A210 WeakPolarHBondContact O-CB 3.46Å; M206-A210 PolarHBondContact O-N 3.31Å
207K98.7Very high98.3Very high62 Ų6253.2 Ų53.227%0.2724%0.244SC..Hα-helixtrans-63.9-38.6179.8-80.7179.6175.8-178.50112.5K62 S64 W66 I69 G205 A210 Y211K62-K207 WeakPolarHBondContact O-CB 3.05Å; K62-K207 WeakPolarHBondContact O-CD 3.46Å; S64-K207 WeakPolarHBondContact O-CD 3.26Å; S64-K207 WeakPolarHBondContact O-CE 3.39Å; S64-K207 PolarHBondContact O-NZ 3.38Å; W66-K207 HydrophobicContact CH2-CG 4.02Å; W66-K207 HydrophobicContact CZ2-CG 3.9Å; W66-K207 HydrophobicContact CZ3-CG 4.49Å; I69-K207 HydrophobicContact CD1-CB 3.71Å; I69-K207 HydrophobicContact CD1-CD 4Å; I69-K207 HydrophobicContact CD1-CG 3.83Å; G205-K207 VanDerWaalsContact C-N 3.32Å; G205-K207 PolarHBondContact O-N 2.98Å; K207-A210 PolarHBondContact O-N 2.83Å; K207-Y211 WeakPolarHBondContact O-CB 3.4Å; K207-Y211 PolarHBondContact O-N 3.15Å
208A98.5Very high98.2Very high0 Ų054.6 Ų54.60%025%0.251CS..Hα-helixtrans-68.4-42.5176.800000111.9A58 K62 V200 F204 G205 M206 Y211 L212A58-A208 HydrophobicContact CB-CB 4.2Å; A58-A208 VanDerWaalsContact O-CB 3.27Å; A58-A208 WeakPolarHBondContact O-CB 3.43Å; K62-A208 HydrophobicContact CB-CB 4.4Å; V200-A208 HydrophobicContact CG1-CB 4.31Å; F204-A208 HydrophobicContact CB-CB 3.38Å; F204-A208 HydrophobicContact CD2-CB 4.43Å; F204-A208 HydrophobicContact CG-CB 4.4Å; G205-A208 PolarHBondContact O-N 3.09Å; M206-A208 VanDerWaalsContact C-N 3.34Å; M206-A208 PolarHBondContact O-N 3.43Å; A208-Y211 WeakPolarHBondContact O-CB 3.42Å; A208-Y211 PolarHBondContact O-N 2.94Å; A208-L212 PolarHBondContact O-N 3.13Å; A208-L212 VanDerWaalsContact O-N 3.16Å
209L98.5Very high98.1Very high31 Ų3148.8 Ų48.816%0.16223%0.228CC..Hα-helixtrans-65-42.6174.6-175.761.5000111.5V117 N197 V200 F201 G205 M206 Y211 L212 F213V117-L209 HydrophobicContact CG1-CD1 4.08Å; V117-L209 HydrophobicContact CG2-CD1 4.25Å; N197-L209 HydrophobicContact CB-CD1 4.2Å; V200-L209 HydrophobicContact CG1-CB 4.25Å; V200-L209 HydrophobicContact CG1-CD1 4.44Å; F201-L209 HydrophobicContact CB-CD2 4.37Å; G205-L209 PolarHBondContact O-N 2.65Å; M206-L209 PolarHBondContact O-N 2.63Å; L209-Y211 VanDerWaalsContact C-N 3.33Å; L209-Y211 PolarHBondContact O-N 3.21Å; L209-L212 PolarHBondContact O-N 2.97Å; L209-F213 PolarHBondContact O-N 2.85Å
210A98.5Very high97.9Very high19 Ų1944.7 Ų44.716%0.15721%0.213CC..Hα-helixtrans-62.8-39.1175.500000111.9W66 M206 K207 F213 L214W66-A210 HydrophobicContact CH2-CB 3.8Å; W66-A210 HydrophobicContact CZ3-CB 3.68Å; M206-A210 VanDerWaalsContact O-CB 3.24Å; M206-A210 WeakPolarHBondContact O-CB 3.46Å; M206-A210 PolarHBondContact O-N 3.31Å; K207-A210 PolarHBondContact O-N 2.83Å; A210-F213 PolarHBondContact O-N 3.33Å; A210-L214 VanDerWaalsContact O-CB 3.28Å; A210-L214 WeakPolarHBondContact O-CB 3.45Å; A210-L214 WeakPolarHBondContact O-CD1 3.41Å; A210-L214 WeakPolarHBondContact O-CG 3.48Å; A210-L214 PolarHBondContact O-N 3.03Å
211Y98.8Very high97.7Very high0 Ų044.5 Ų44.50%021%0.213CC..Hα-helixtrans-56.3-52.9172.7163.7-102.9000111.7Q54 F57 A58 L61 I69 Q72 A73 G77 K207 A208 L209 F213 L214 C215Q54-Y211 PolarHBondContact OE1-OH 3.1Å; F57-Y211 HydrophobicContact CB-CE1 3.82Å; F57-Y211 WeakPolarHBondContact CB-OH 3.25Å; F57-Y211 WeakPolarHBondContact CD2-OH 3.49Å; A58-Y211 HydrophobicContact CB-CD1 4.1Å; A58-Y211 HydrophobicContact CB-CE1 4.46Å; L61-Y211 HydrophobicContact CD1-CD1 4.31Å; L61-Y211 HydrophobicContact CD1-CD2 3.42Å; L61-Y211 VanDerWaalsContact CD1-CD2 3.42Å; L61-Y211 HydrophobicContact CD1-CE1 4.28Å; L61-Y211 HydrophobicContact CD1-CE2 3.36Å; L61-Y211 HydrophobicContact CD1-CG 3.91Å; I69-Y211 HydrophobicContact CG2-CD2 4.41Å; Q72-Y211 HydrophobicContact CB-CE2 4.06Å; A73-Y211 HydrophobicContact CB-CD2 4.06Å; A73-Y211 HydrophobicContact CB-CE2 4.26Å; G77-Y211 VanDerWaalsContact CA-OH 3.27Å; G77-Y211 WeakPolarHBondContact CA-OH 3.25Å; K207-Y211 WeakPolarHBondContact O-CB 3.4Å; K207-Y211 PolarHBondContact O-N 3.15Å; A208-Y211 WeakPolarHBondContact O-CB 3.42Å; A208-Y211 PolarHBondContact O-N 2.94Å; L209-Y211 VanDerWaalsContact C-N 3.33Å; L209-Y211 PolarHBondContact O-N 3.21Å; Y211-F213 VanDerWaalsContact C-N 3.32Å; Y211-F213 PolarHBondContact O-N 3.38Å; Y211-L214 PolarHBondContact O-N 3.32Å; Y211-C215 WeakPolarHBondContact CE2-SG 3.48Å; Y211-C215 PolarHBondContact O-N 3.28Å; Y211-C215 PolarHBondContact O-SG 3.1Å
212L98.6Very high97.5Very high1 Ų142.5 Ų42.51%0.00521%0.208CC..Hα-helixtrans-60.9-41.6179.6-68.9177.2000111.9Q54 A58 N81 P115 V117 F196 V200 A208 L209 C215 S216Q54-L212 HydrophobicContact CB-CD2 4.21Å; A58-L212 HydrophobicContact CB-CD1 4.2Å; A58-L212 HydrophobicContact CB-CD2 4.2Å; A58-L212 HydrophobicContact CB-CG 4.08Å; N81-L212 PolarHBondContact ND2-O 2.88Å; P115-L212 HydrophobicContact CB-CD2 4.19Å; V117-L212 HydrophobicContact CG2-CB 3.53Å; F196-L212 HydrophobicContact CE1-CD1 4.08Å; F196-L212 HydrophobicContact CZ-CD1 4.49Å; V200-L212 HydrophobicContact CG1-CD1 4.26Å; V200-L212 HydrophobicContact CG2-CD1 4.46Å; A208-L212 PolarHBondContact O-N 3.13Å; A208-L212 VanDerWaalsContact O-N 3.16Å; L209-L212 PolarHBondContact O-N 2.97Å; L212-C215 WeakPolarHBondContact O-CB 3.37Å; L212-C215 PolarHBondContact O-N 3.24Å; L212-S216 PolarHBondContact O-N 3.25Å; L212-S216 PolarHBondContact O-OG 3.04Å
213F98.2Very high97.5Very high87 Ų8738.1 Ų38.138%0.38219%0.187SC..Hα-helixtrans-62.2-47.1175.6175.7-95.2000111.9V117 L209 A210 Y211 C215 S216 F217V117-F213 HydrophobicContact CG2-CB 4.33Å; L209-F213 PolarHBondContact O-N 2.85Å; A210-F213 PolarHBondContact O-N 3.33Å; Y211-F213 VanDerWaalsContact C-N 3.32Å; Y211-F213 PolarHBondContact O-N 3.38Å; F213-C215 VanDerWaalsContact C-N 3.32Å; F213-C215 PolarHBondContact O-N 3.16Å; F213-S216 PolarHBondContact O-N 3.16Å; F213-F217 HydrophobicContact CE1-CB 4.21Å; F213-F217 HydrophobicContact CE1-CD2 4.41Å; F213-F217 HydrophobicContact CE1-CG 4.4Å; F213-F217 HydrophobicContact CZ-CB 4.46Å; F213-F217 HydrophobicContact CZ-CD2 4.12Å; F213-F217 WeakPolarHBondContact O-CB 3.45Å; F213-F217 PolarHBondContact O-N 3.14Å
214L98.3Very high97.4Very high35 Ų3531.5 Ų31.518%0.18317%0.168CC..Hα-helixtrans-64.2-35.7178.9-73.4166.7000111.9I69 L70 A73 A210 Y211 S216 F217 L218I69-L214 HydrophobicContact CG2-CD1 4.01Å; L70-L214 HydrophobicContact CD2-CD1 3.89Å; L70-L214 HydrophobicContact CD2-CD2 4.23Å; A73-L214 HydrophobicContact CB-CB 3.76Å; A210-L214 VanDerWaalsContact O-CB 3.28Å; A210-L214 WeakPolarHBondContact O-CB 3.45Å; A210-L214 WeakPolarHBondContact O-CD1 3.41Å; A210-L214 WeakPolarHBondContact O-CG 3.48Å; A210-L214 PolarHBondContact O-N 3.03Å; Y211-L214 PolarHBondContact O-N 3.32Å; L214-S216 VanDerWaalsContact C-N 3.32Å; L214-S216 PolarHBondContact O-N 3.39Å; L214-F217 PolarHBondContact O-N 3.28Å; L214-L218 HydrophobicContact CB-CD1 4.36Å; L214-L218 VanDerWaalsContact O-CB 3.24Å; L214-L218 WeakPolarHBondContact O-CB 3.32Å; L214-L218 WeakPolarHBondContact O-CG 3.44Å; L214-L218 PolarHBondContact O-N 3.01Å
215C98.5Very high97.4Very high0 Ų029.4 Ų29.40%016%0.158CC..Hα-helixtrans-55-50.4173.9-680000110.6G77 N81 Y211 L212 F213 S219G77-C215 VanDerWaalsContact C-SG 3.53Å; G77-C215 VanDerWaalsContact CA-SG 3.55Å; N81-C215 HydrophobicContact CB-CB 3.97Å; N81-C215 WeakPolarHBondContact ND2-CB 3.37Å; Y211-C215 WeakPolarHBondContact CE2-SG 3.48Å; Y211-C215 PolarHBondContact O-N 3.28Å; Y211-C215 PolarHBondContact O-SG 3.1Å; L212-C215 WeakPolarHBondContact O-CB 3.37Å; L212-C215 PolarHBondContact O-N 3.24Å; F213-C215 VanDerWaalsContact C-N 3.32Å; F213-C215 PolarHBondContact O-N 3.16Å; C215-S219 WeakPolarHBondContact O-CB 3.42Å; C215-S219 PolarHBondContact O-N 3.39Å; C215-S219 VanDerWaalsContact O-N 3.15Å; C215-S219 PolarHBondContact O-OG 3.26Å
216S95.5Very high97.3Very high8 Ų828.2 Ų28.26%0.05615%0.146CC..Hα-helixtrans-67.3-48.2178.6-51.30000112.2N81 I116 L212 F213 L214 L218 S219 L220N81-S216 PolarHBondContact ND2-OG 3.33Å; I116-S216 WeakPolarHBondContact CA-OG 3.4Å; I116-S216 PolarHBondContact O-OG 2.89Å; L212-S216 PolarHBondContact O-N 3.25Å; L212-S216 PolarHBondContact O-OG 3.04Å; F213-S216 PolarHBondContact O-N 3.16Å; L214-S216 VanDerWaalsContact C-N 3.32Å; L214-S216 PolarHBondContact O-N 3.39Å; S216-L218 PolarHBondContact O-N 3.36Å; S216-S219 PolarHBondContact O-N 3.01Å; S216-L220 VanDerWaalsContact O-CB 3.27Å; S216-L220 WeakPolarHBondContact O-CB 3.39Å; S216-L220 WeakPolarHBondContact O-CD1 3.4Å; S216-L220 WeakPolarHBondContact O-CG 3.48Å; S216-L220 PolarHBondContact O-N 3.28Å; S216-L220 VanDerWaalsContact O-N 3.14Å
217F96.6Very high97.3Very high57 Ų5722.5 Ų22.525%0.2512%0.118CC..Hα-helixtrans-63.8-42.8-174.1-171.4-89.5000111.9F165 V167 V168 F213 L214F165-F217 AromaticContact CD1-CZ 3.95Å; F165-F217 HydrophobicContact CD1-CZ 3.95Å; F165-F217 AromaticContact CE1-CZ 4Å; F165-F217 HydrophobicContact CE1-CZ 4Å; V167-F217 HydrophobicContact CG1-CD2 3.72Å; V167-F217 HydrophobicContact CG1-CE2 3.83Å; V167-F217 HydrophobicContact CG1-CG 4.43Å; V168-F217 HydrophobicContact CG2-CE2 4.21Å; F213-F217 HydrophobicContact CE1-CB 4.21Å; F213-F217 HydrophobicContact CE1-CD2 4.41Å; F213-F217 HydrophobicContact CE1-CG 4.4Å; F213-F217 HydrophobicContact CZ-CB 4.46Å; F213-F217 HydrophobicContact CZ-CD2 4.12Å; F213-F217 WeakPolarHBondContact O-CB 3.45Å; F213-F217 PolarHBondContact O-N 3.14Å; L214-F217 PolarHBondContact O-N 3.28Å
218L96.5Very high97.3Very high49 Ų4919.8 Ų19.826%0.25711%0.106SC..Hα-helixtrans-73.9-40.7-179.7-64.2172.6000112A73 Y74 L214 S216 L220 G221 H223A73-L218 HydrophobicContact CB-CD1 4.21Å; Y74-L218 HydrophobicContact CD2-CB 4.15Å; Y74-L218 HydrophobicContact CD2-CD1 4.47Å; L214-L218 HydrophobicContact CB-CD1 4.36Å; L214-L218 VanDerWaalsContact O-CB 3.24Å; L214-L218 WeakPolarHBondContact O-CB 3.32Å; L214-L218 WeakPolarHBondContact O-CG 3.44Å; L214-L218 PolarHBondContact O-N 3.01Å; S216-L218 PolarHBondContact O-N 3.36Å; L218-L220 VanDerWaalsContact C-N 3.3Å; L218-L220 PolarHBondContact O-N 3.06Å; L218-G221 PolarHBondContact O-N 3.37Å; L218-H223 WeakPolarHBondContact O-CB 3.45Å
219S96.5Very high97.2Very high0 Ų021.3 Ų21.30%011%0.113CC..Hα-helixtrans-80.8-8.2-175.178.70000115G78 H82 C215 S216 A226G78-S219 WeakPolarHBondContact O-CB 3.15Å; G78-S219 PolarHBondContact O-OG 2.85Å; G78-S219 VanDerWaalsContact O-OG 3.09Å; H82-S219 PolarHBondContact ND1-O 3.43Å; C215-S219 WeakPolarHBondContact O-CB 3.42Å; C215-S219 PolarHBondContact O-N 3.39Å; C215-S219 VanDerWaalsContact O-N 3.15Å; C215-S219 PolarHBondContact O-OG 3.26Å; S216-S219 PolarHBondContact O-N 3.01Å; S219-A226 WeakPolarHBondContact O-CB 3.37Å
220L96Very high97.1Very high17 Ų1719.9 Ų19.99%0.08911%0.106CC..THydrogen-bonded Turntrans-105.814.9174.3-62.3173.3000112.6T85 V167 S216 L218 F229T85-L220 HydrophobicContact CG2-CD1 4.24Å; T85-L220 HydrophobicContact CG2-CD2 4Å; V167-L220 HydrophobicContact CB-CB 3.74Å; V167-L220 HydrophobicContact CB-CD1 4.46Å; V167-L220 HydrophobicContact CG2-CB 3.89Å; V167-L220 HydrophobicContact CG2-CD1 3.67Å; V167-L220 HydrophobicContact CG2-CG 4.45Å; V167-L220 PolarHBondContact N-O 3.21Å; S216-L220 VanDerWaalsContact O-CB 3.27Å; S216-L220 WeakPolarHBondContact O-CB 3.39Å; S216-L220 WeakPolarHBondContact O-CD1 3.4Å; S216-L220 WeakPolarHBondContact O-CG 3.48Å; S216-L220 PolarHBondContact O-N 3.28Å; S216-L220 VanDerWaalsContact O-N 3.14Å; L218-L220 VanDerWaalsContact C-N 3.3Å; L218-L220 PolarHBondContact O-N 3.06Å; L220-F229 HydrophobicContact CB-CE2 4.43Å; L220-F229 HydrophobicContact CD2-CE2 3.67Å; L220-F229 HydrophobicContact CD2-CZ 3.62Å
221G93.3Very high97.1Very high3 Ų319 Ų193%0.03110%0.098CC..SBendtrans-130.6-114.8176.400000112.2L163 L218 H223 A226L163-G221 CarbonylContact O-C 3.56Å; L163-G221 WeakPolarHBondContact O-CA 3.35Å; L218-G221 PolarHBondContact O-N 3.37Å; G221-H223 VanDerWaalsContact C-N 3.31Å; G221-H223 PolarHBondContact O-N 3.16Å; G221-A226 WeakPolarHBondContact O-CB 3.23Å
222V94.4Very high97.1Very high48 Ų4820 Ų2029%0.29110%0.103SC..SBendtrans-82.975.1179.1-1730000110Y74 F160 L163 L164Y74-V222 WeakPolarHBondContact CE2-O 3.4Å; Y74-V222 PolarHBondContact OH-O 3.08Å; F160-V222 HydrophobicContact CD2-CG2 4.47Å; F160-V222 HydrophobicContact CE2-CG1 4.25Å; F160-V222 HydrophobicContact CE2-CG2 3.92Å; L163-V222 HydrophobicContact CB-CG2 3.77Å; L164-V222 HydrophobicContact CD2-CB 4.36Å; L164-V222 HydrophobicContact CD2-CG2 3.64Å; L164-V222 HydrophobicContact CG-CG2 4.01Å
223H97.9Very high97.1Very high10 Ų1020.3 Ų20.35%0.04610%0.104CC..SBendtrans-140.6143.1177-174.9-91.8000110.2Y74 L218 G221 T225 A226 L297Y74-H223 AromaticContact CE1-CD2 3.99Å; Y74-H223 HydrophobicContact CE2-CB 4.39Å; Y74-H223 AromaticContact CE2-CD2 3.79Å; Y74-H223 AromaticContact CZ-CD2 3.72Å; Y74-H223 PolarHBondContact O-NE2 3.41Å; L218-H223 WeakPolarHBondContact O-CB 3.45Å; G221-H223 VanDerWaalsContact C-N 3.31Å; G221-H223 PolarHBondContact O-N 3.16Å; H223-T225 PolarHBondContact CE1-OG1 2.81Å; H223-T225 PolarHBondContact ND1-N 2.85Å; H223-T225 PolarHBondContact ND1-OG1 3.12Å; H223-T225 PolarHBondContact O-N 2.78Å; H223-T225 VanDerWaalsContact O-N 3.09Å; H223-A226 HydrophobicContact CB-CB 4.41Å; H223-A226 WeakPolarHBondContact O-CB 3.38Å; H223-A226 PolarHBondContact O-N 2.82Å; H223-L297 WeakPolarHBondContact O-CD1 3.37Å
224P97.9Very high97.1Very high40 Ų4016.2 Ų16.226%0.269%0.086SC..G310 helixtrans-52.1-37.9-175.3-30.936.6000115L249 W293 V294P224-L249 HydrophobicContact CB-CD1 4.05Å; P224-L249 WeakPolarHBondContact O-CD1 3.48Å; P224-W293 WeakPolarHBondContact O-CB 3.4Å; P224-V294 HydrophobicContact CB-CG2 3.78Å; P224-V294 HydrophobicContact CG-CG2 4.04Å
225T97.1Very high97Very high2 Ų214.9 Ų14.91%0.0128%0.08CC..G310 helixtrans-69.2-34.8177.860.10000112.3H82 H223 G227 H228 L249 V252 T253H82-T225 WeakPolarHBondContact CD2-CB 3.07Å; H82-T225 PolarHBondContact CD2-OG1 3.29Å; H82-T225 PolarHBondContact ND1-OG1 3.5Å; H82-T225 WeakPolarHBondContact NE2-CB 3.28Å; H82-T225 PolarHBondContact NE2-O 3.46Å; H223-T225 PolarHBondContact CE1-OG1 2.81Å; H223-T225 PolarHBondContact ND1-N 2.85Å; H223-T225 PolarHBondContact ND1-OG1 3.12Å; H223-T225 PolarHBondContact O-N 2.78Å; H223-T225 VanDerWaalsContact O-N 3.09Å; T225-G227 PolarHBondContact O-N 3.18Å; T225-H228 PolarHBondContact O-CD2 3.17Å; T225-H228 PolarHBondContact O-N 3.01Å; T225-L249 HydrophobicContact CG2-CD2 4.28Å; T225-V252 HydrophobicContact CG2-CG2 4.17Å; T225-T253 HydrophobicContact CG2-CG2 4.37Å
226A97Very high96.9Very high3 Ų316.8 Ų16.83%0.0259%0.088CC..G310 helixtrans-65.4-9.5179.600000114.8S219 G221 H223 H228 F229S219-A226 WeakPolarHBondContact O-CB 3.37Å; G221-A226 WeakPolarHBondContact O-CB 3.23Å; H223-A226 HydrophobicContact CB-CB 4.41Å; H223-A226 WeakPolarHBondContact O-CB 3.38Å; H223-A226 PolarHBondContact O-N 2.82Å; A226-H228 PolarHBondContact O-N 3.02Å; A226-H228 VanDerWaalsContact O-N 3.13Å; A226-F229 HydrophobicContact CB-CD2 4.06Å; A226-F229 HydrophobicContact CB-CE2 4.33Å; A226-F229 WeakPolarHBondContact O-CB 3.11Å; A226-F229 WeakPolarHBondContact O-CD2 3.39Å; A226-F229 PolarHBondContact O-N 3.38Å
227G98.1Very high96.9Very high0 Ų020.9 Ų20.90%011%0.105CC..G310 helixtrans-61.8-18.6175.600000113.5T225 F229 I230 S231 V296T225-G227 PolarHBondContact O-N 3.18Å; G227-F229 VanDerWaalsContact C-N 3.32Å; G227-F229 PolarHBondContact O-N 3.05Å; G227-I230 PolarHBondContact O-N 2.92Å; G227-S231 PolarHBondContact O-N 2.65Å; G227-V296 WeakPolarHBondContact O-CG1 3.36Å
228H97.7Very high96.6Very high6 Ų622.8 Ų22.83%0.02812%0.123CC..Hα-helixtrans-60.7-38.5175.485.981.7000112.5H82 T225 A226 I230 S231 E232 W293H82-H228 AromaticContact CE1-CD2 3.4Å; H82-H228 PolarHBondContact CE1-CD2 3.06Å; H82-H228 VanDerWaalsContact CE1-CD2 3.4Å; H82-H228 AromaticContact CE1-NE2 3.22Å; H82-H228 PolarHBondContact CE1-NE2 3.1Å; H82-H228 AromaticContact NE2-CD2 3.14Å; H82-H228 PolarHBondContact NE2-CD2 3.08Å; H82-H228 AromaticContact NE2-NE2 3.22Å; H82-H228 PolarHBondContact NE2-NE2 2.93Å; T225-H228 PolarHBondContact O-CD2 3.17Å; T225-H228 PolarHBondContact O-N 3.01Å; A226-H228 PolarHBondContact O-N 3.02Å; A226-H228 VanDerWaalsContact O-N 3.13Å; H228-I230 CarbonylContact O-C 3.32Å; H228-I230 PolarHBondContact O-N 2.92Å; H228-S231 WeakPolarHBondContact CA-OG 3.12Å; H228-S231 PolarHBondContact O-N 3.1Å; H228-S231 VanDerWaalsContact O-N 3.1Å; H228-S231 PolarHBondContact O-OG 2.78Å; H228-E232 HydrophobicContact CB-CG 4.41Å; H228-E232 WeakPolarHBondContact CB-OE1 3.3Å; H228-E232 IonicContact CE1-OE1 3.65Å; H228-E232 IonicContact CG-OE1 2.93Å; H228-E232 IonicContact ND1-OE1 2.75Å; H228-E232 PolarHBondContact ND1-OE1 3Å; H228-E232 IonicContact ND1-OE2 3.45Å; H228-E232 PolarHBondContact ND1-OE2 3.01Å; H228-E232 WeakPolarHBondContact O-CB 3.24Å; H228-E232 VanDerWaalsContact O-CD 3.29Å; H228-E232 WeakPolarHBondContact O-CG 3.47Å; H228-E232 PolarHBondContact O-N 3.38Å; H228-W293 HydrophobicContact CB-CD2 4.1Å; H228-W293 VanDerWaalsContact CB-CE2 3.5Å; H228-W293 HydrophobicContact CB-CE3 4.37Å; H228-W293 HydrophobicContact CB-CH2 3.67Å; H228-W293 HydrophobicContact CB-CZ2 3.28Å; H228-W293 HydrophobicContact CB-CZ3 4.18Å
229F96.4Very high96.2Very high32 Ų3223.8 Ų23.814%0.1415%0.145CC..Hα-helixtrans-53.4-22.9176.7-72-57.8000114.5Y170 L220 A226 G227Y170-F229 HydrophobicContact CD2-CD1 4.4Å; Y170-F229 HydrophobicContact CE2-CD1 4.2Å; Y170-F229 HydrophobicContact CE2-CE1 4.36Å; L220-F229 HydrophobicContact CB-CE2 4.43Å; L220-F229 HydrophobicContact CD2-CE2 3.67Å; L220-F229 HydrophobicContact CD2-CZ 3.62Å; A226-F229 HydrophobicContact CB-CD2 4.06Å; A226-F229 HydrophobicContact CB-CE2 4.33Å; A226-F229 WeakPolarHBondContact O-CB 3.11Å; A226-F229 WeakPolarHBondContact O-CD2 3.39Å; A226-F229 PolarHBondContact O-N 3.38Å; G227-F229 VanDerWaalsContact C-N 3.32Å; G227-F229 PolarHBondContact O-N 3.05Å
230I97.9Very high96.2Very high1 Ų124.3 Ų24.31%0.00515%0.148CC..Hα-helixtrans-104-47.5177.6-57169.7000109.6W162 L163 G227 H228 E232 Y234 F236 V296 L297 Y300W162-I230 HydrophobicContact CZ3-CD1 4.46Å; W162-I230 HydrophobicContact CZ3-CG1 4.46Å; L163-I230 HydrophobicContact CD2-CD1 3.42Å; L163-I230 VanDerWaalsContact CD2-CD1 3.42Å; G227-I230 PolarHBondContact O-N 2.92Å; H228-I230 CarbonylContact O-C 3.32Å; H228-I230 PolarHBondContact O-N 2.92Å; I230-E232 PolarHBondContact O-N 3.28Å; I230-E232 VanDerWaalsContact O-N 3.17Å; I230-Y234 HydrophobicContact CB-CD2 4.27Å; I230-Y234 HydrophobicContact CG2-CD1 4.21Å; I230-Y234 HydrophobicContact CG2-CD2 3.95Å; I230-Y234 HydrophobicContact CG2-CG 3.78Å; I230-Y234 VanDerWaalsContact O-CB 3.25Å; I230-Y234 WeakPolarHBondContact O-CB 2.99Å; I230-Y234 VanDerWaalsContact O-CD2 3.3Å; I230-Y234 WeakPolarHBondContact O-CD2 3.32Å; I230-Y234 PolarHBondContact O-N 3.23Å; I230-Y234 VanDerWaalsContact O-N 3.08Å; I230-F236 HydrophobicContact CG2-CE2 4.13Å; I230-F236 HydrophobicContact CG2-CZ 4.02Å; I230-V296 HydrophobicContact CB-CG1 3.81Å; I230-V296 HydrophobicContact CG2-CG1 3.89Å; I230-L297 HydrophobicContact CD1-CD2 3.81Å; I230-Y300 HydrophobicContact CD1-CD1 3.93Å; I230-Y300 HydrophobicContact CD1-CD2 3.85Å; I230-Y300 HydrophobicContact CD1-CE2 4.47Å; I230-Y300 HydrophobicContact CD1-CG 3.54Å; I230-Y300 HydrophobicContact CG1-CD2 4.32Å; I230-Y300 HydrophobicContact CG1-CG 4.48Å; I230-Y300 HydrophobicContact CG2-CD2 3.75Å; I230-Y300 HydrophobicContact CG2-CG 4.29Å
231S98Very high96.2Very high1 Ų124.4 Ų24.41%0.00715%0.148CC..Hα-helixtrans-57.5-37.2-17476.60000112.1G227 H228 Y243 W293G227-S231 PolarHBondContact O-N 2.65Å; H228-S231 WeakPolarHBondContact CA-OG 3.12Å; H228-S231 PolarHBondContact O-N 3.1Å; H228-S231 VanDerWaalsContact O-N 3.1Å; H228-S231 PolarHBondContact O-OG 2.78Å; S231-Y243 VanDerWaalsContact O-CB 3.29Å; S231-Y243 WeakPolarHBondContact O-CB 3.45Å; S231-W293 PolarHBondContact OG-NE1 3.21Å
232E98.5Very high96.4Very high21 Ų2124.6 Ų24.610%0.09815%0.148CC..THydrogen-bonded Turntrans-62.6-47.5-169.8-76.6167.5178.800112.9H228 I230 T242 Y243 H259H228-E232 HydrophobicContact CB-CG 4.41Å; H228-E232 WeakPolarHBondContact CB-OE1 3.3Å; H228-E232 IonicContact CE1-OE1 3.65Å; H228-E232 IonicContact CG-OE1 2.93Å; H228-E232 IonicContact ND1-OE1 2.75Å; H228-E232 PolarHBondContact ND1-OE1 3Å; H228-E232 IonicContact ND1-OE2 3.45Å; H228-E232 PolarHBondContact ND1-OE2 3.01Å; H228-E232 WeakPolarHBondContact O-CB 3.24Å; H228-E232 VanDerWaalsContact O-CD 3.29Å; H228-E232 WeakPolarHBondContact O-CG 3.47Å; H228-E232 PolarHBondContact O-N 3.38Å; I230-E232 PolarHBondContact O-N 3.28Å; I230-E232 VanDerWaalsContact O-N 3.17Å; E232-T242 CarbonylContact O-C 3.11Å; E232-T242 VanDerWaalsContact O-CA 3.22Å; E232-T242 WeakPolarHBondContact O-CA 3.29Å; E232-Y243 PolarHBondContact O-N 3.27Å; E232-H259 WeakPolarHBondContact CB-CD2 3.44Å; E232-H259 WeakPolarHBondContact CB-NE2 3.49Å; E232-H259 HydrophobicContact CG-CB 4.22Å; E232-H259 VanDerWaalsContact CG-CD2 3.46Å; E232-H259 WeakPolarHBondContact CG-CD2 3.36Å
233H98.3Very high96.6Very high7 Ų722.3 Ų22.33%0.03213%0.134CC..THydrogen-bonded Turntrans-131.5-3.2-170-69.5-61.8000116.3H131 M135 E241 T242 H259 H263 R311H131-H233 AromaticContact CE1-CD2 3.54Å; H131-H233 AromaticContact CE1-CE1 3.94Å; H131-H233 AromaticContact CE1-NE2 3.38Å; H131-H233 PolarHBondContact CE1-NE2 2.72Å; H131-H233 AromaticContact NE2-CD2 3.54Å; H131-H233 AromaticContact NE2-CE1 3.83Å; H131-H233 AromaticContact NE2-NE2 3.04Å; H131-H233 PolarHBondContact NE2-NE2 2.77Å; M135-H233 PolarHBondContact SD-CE1 2.94Å; H233-E241 VanDerWaalsContact CA-O 3.32Å; H233-E241 WeakPolarHBondContact CA-O 3.16Å; H233-E241 PolarHBondContact ND1-O 2.9Å; H233-E241 VanDerWaalsContact ND1-O 3.17Å; H233-T242 PolarHBondContact ND1-OG1 2.86Å; H233-H259 AromaticContact CD2-NE2 3.63Å; H233-H259 AromaticContact CE1-CD2 3.94Å; H233-H259 AromaticContact CE1-NE2 3.49Å; H233-H259 PolarHBondContact CE1-NE2 3.44Å; H233-H259 AromaticContact NE2-CD2 3.68Å; H233-H259 AromaticContact NE2-CE1 3.91Å; H233-H259 AromaticContact NE2-NE2 2.85Å; H233-H259 PolarHBondContact NE2-NE2 3.41Å; H233-H263 AromaticContact CE1-CE1 3.5Å; H233-H263 AromaticContact CE1-NE2 3.53Å; H233-H263 AromaticContact NE2-CE1 3.47Å; H233-H263 PolarHBondContact NE2-CE1 3.19Å; H233-H263 AromaticContact NE2-NE2 3.21Å; H233-H263 PolarHBondContact NE2-NE2 3.47Å; H233-R311 VanDerWaalsContact O-CD 3.24Å; H233-R311 WeakPolarHBondContact O-CD 3.17Å; H233-R311 PolarHBondContact O-NE 3.16Å
234Y97.9Very high96.7Very high1 Ų121.9 Ų21.90%0.00413%0.133CC..SBendtrans-75.3139.4174.3-76.4-116.8000110.4P145 W162 I230 F236 Y243 Y300 G307 S310 R311P145-Y234 WeakPolarHBondContact CG-OH 3.22Å; W162-Y234 WeakPolarHBondContact CH2-OH 3.37Å; W162-Y234 WeakPolarHBondContact CZ2-OH 3.36Å; I230-Y234 HydrophobicContact CB-CD2 4.27Å; I230-Y234 HydrophobicContact CG2-CD1 4.21Å; I230-Y234 HydrophobicContact CG2-CD2 3.95Å; I230-Y234 HydrophobicContact CG2-CG 3.78Å; I230-Y234 VanDerWaalsContact O-CB 3.25Å; I230-Y234 WeakPolarHBondContact O-CB 2.99Å; I230-Y234 VanDerWaalsContact O-CD2 3.3Å; I230-Y234 WeakPolarHBondContact O-CD2 3.32Å; I230-Y234 PolarHBondContact O-N 3.23Å; I230-Y234 VanDerWaalsContact O-N 3.08Å; Y234-F236 WeakPolarHBondContact O-CD2 3.2Å; Y234-F236 PolarHBondContact O-N 3.16Å; Y234-Y243 WeakPolarHBondContact O-CE2 3.25Å; Y234-Y300 HydrophobicContact CD1-CD2 4.38Å; Y234-Y300 HydrophobicContact CD1-CE2 4.07Å; Y234-Y300 HydrophobicContact CE1-CD2 4.32Å; Y234-Y300 AromaticContact CE1-CE2 3.6Å; Y234-Y300 HydrophobicContact CE1-CE2 3.6Å; Y234-G307 WeakPolarHBondContact CD1-O 3.34Å; Y234-G307 VanDerWaalsContact CE1-O 3.26Å; Y234-G307 WeakPolarHBondContact CE1-O 3.39Å; Y234-S310 CarbonylContact C-O 3.46Å; Y234-S310 WeakPolarHBondContact CA-O 3.4Å; Y234-R311 HydrophobicContact CD1-CG 4.46Å; Y234-R311 HydrophobicContact CE1-CG 4.38Å; Y234-R311 HydrophobicContact CE2-CG 4.45Å
235V96.7Very high96.7Very high7 Ų720.3 Ų20.34%0.04212%0.122CC..  trans-76.697-177.2-1770000109.6K237 S310 I312V235-K237 WeakPolarHBondContact CG1-O 3.12Å; V235-S310 PolarHBondContact N-O 3.41Å; V235-I312 HydrophobicContact CG2-CD1 4.41Å; V235-I312 HydrophobicContact CG2-CG1 3.6Å
236F96.5Very high96.8Very high40 Ų4022.3 Ų22.318%0.17513%0.129CC..SBendtrans-87.6-25.3170.8-75.1-95.9000112.9I230 Y234 Y243 M288 H290 V296 Q299 I306I230-F236 HydrophobicContact CG2-CE2 4.13Å; I230-F236 HydrophobicContact CG2-CZ 4.02Å; Y234-F236 WeakPolarHBondContact O-CD2 3.2Å; Y234-F236 PolarHBondContact O-N 3.16Å; F236-Y243 HydrophobicContact CB-CE1 3.83Å; F236-Y243 PolarHBondContact N-OH 3.17Å; F236-M288 HydrophobicContact CB-CE 3.73Å; F236-M288 HydrophobicContact CB-SD 3.95Å; F236-M288 HydrophobicContact CG-CE 4.39Å; F236-H290 AromaticContact CD1-CE1 3.82Å; F236-H290 AromaticContact CD2-CE1 3.56Å; F236-H290 AromaticContact CD2-NE2 3.6Å; F236-H290 AromaticContact CE1-CE1 4Å; F236-H290 AromaticContact CE2-CE1 3.82Å; F236-H290 AromaticContact CE2-NE2 3.87Å; F236-H290 AromaticContact CG-CE1 3.62Å; F236-V296 HydrophobicContact CE2-CG1 4.47Å; F236-V296 HydrophobicContact CZ-CG1 3.9Å; F236-V296 HydrophobicContact CZ-CG2 4.46Å; F236-Q299 HydrophobicContact CE1-CB 4.03Å; F236-I306 HydrophobicContact CD1-CD1 3.42Å; F236-I306 VanDerWaalsContact CD1-CD1 3.42Å; F236-I306 HydrophobicContact CD1-CG1 4.43Å; F236-I306 HydrophobicContact CE1-CD1 3.29Å; F236-I306 HydrophobicContact CE1-CG1 4.41Å; F236-I306 HydrophobicContact CG-CD1 4.37Å; F236-I306 HydrophobicContact CZ-CD1 4.11Å; F236-I306 HydrophobicContact CZ-CG2 4.46Å
237K94.9Very high96.8Very high93 Ų9323.3 Ų23.340%0.40414%0.14SC..SBendtrans-131.8123.1177.6179.3-178.8175-172.40108.6V235 G239 Q240 Y243 M288V235-K237 WeakPolarHBondContact CG1-O 3.12Å; K237-G239 PolarHBondContact O-N 3.24Å; K237-Q240 PolarHBondContact O-N 3.25Å; K237-Q240 VanDerWaalsContact O-N 3.11Å; K237-Y243 HydrophobicContact CB-CE1 4.25Å; K237-Y243 PolarHBondContact N-OH 3.16Å; K237-Y243 PolarHBondContact O-OH 3.09Å; K237-M288 HydrophobicContact CB-CB 4.42Å; K237-M288 HydrophobicContact CB-SD 3.8Å; K237-M288 HydrophobicContact CD-CB 3.97Å
238P91Very high96.8Very high97 Ų9728.3 Ų28.363%0.6317%0.17SC*.THydrogen-bonded Turntrans-52137.2177.2-27.635.2000112.2Q240P238-Q240 VanDerWaalsContact C-N 3.31Å; P238-Q240 PolarHBondContact O-N 2.93Å
239G88.7Confident96.8Very high71 Ų7129.9 Ų29.973%0.73218%0.178SC*.THydrogen-bonded Turntrans78.24.5-177.800000115.8K237K237-G239 PolarHBondContact O-N 3.24Å
240Q95.6Very high96.9Very high10 Ų1028.9 Ų28.95%0.04718%0.175CC..  trans-123.5126.8171.5-176.5-180-29.400110.3K237 P238 T242 Y243 Y287 M288K237-Q240 PolarHBondContact O-N 3.25Å; K237-Q240 VanDerWaalsContact O-N 3.11Å; P238-Q240 VanDerWaalsContact C-N 3.31Å; P238-Q240 PolarHBondContact O-N 2.93Å; Q240-T242 WeakPolarHBondContact CG-O 3.41Å; Q240-T242 PolarHBondContact NE2-O 3.06Å; Q240-Y243 HydrophobicContact CB-CE1 4.37Å; Q240-Y243 HydrophobicContact CG-CD1 4.46Å; Q240-Y243 HydrophobicContact CG-CE1 4.03Å; Q240-Y243 HydrophobicContact CG-CE2 4.2Å; Q240-Y243 WeakPolarHBondContact O-CE2 3.46Å; Q240-Y243 PolarHBondContact O-OH 2.7Å; Q240-Y287 HydrophobicContact CG-CD1 4.04Å; Q240-M288 PolarHBondContact NE2-O 3.47Å
241E96.1Very high96.9Very high19 Ų1935.6 Ų35.69%0.08921%0.21CC..  trans-116.8-6.4-17370.8-169.1135.600115.1P18 M135 H233 I312 R314P18-E241 WeakPolarHBondContact CD-OE1 3.39Å; P18-E241 HydrophobicContact CG-CG 4.45Å; P18-E241 WeakPolarHBondContact CG-OE1 3.33Å; M135-E241 HydrophobicContact CE-CG 3.65Å; H233-E241 VanDerWaalsContact CA-O 3.32Å; H233-E241 WeakPolarHBondContact CA-O 3.16Å; H233-E241 PolarHBondContact ND1-O 2.9Å; H233-E241 VanDerWaalsContact ND1-O 3.17Å; E241-I312 HydrophobicContact CB-CB 4.08Å; E241-I312 HydrophobicContact CB-CD1 3.61Å; E241-I312 HydrophobicContact CB-CG1 3.68Å; E241-R314 IonicContact OE1-CZ 2.61Å; E241-R314 IonicContact OE1-NH1 3.1Å; E241-R314 IonicContact OE1-NH2 2.69Å; E241-R314 PolarHBondContact OE1-NH2 2.88Å; E241-R314 IonicContact OE2-CZ 3.33Å; E241-R314 VanDerWaalsContact OE2-CZ 3.24Å; E241-R314 IonicContact OE2-NH1 3.74Å; E241-R314 PolarHBondContact OE2-NH1 2.72Å; E241-R314 IonicContact OE2-NH2 2.68Å; E241-R314 PolarHBondContact OE2-NH2 3.24Å
242T98.5Very high96.8Very high7 Ų738 Ų384%0.04323%0.225CC..  trans-133.9134.4175.3-500000108.7H19 E232 H233 Q240 V260H19-T242 PolarHBondContact NE2-OG1 3.02Å; E232-T242 CarbonylContact O-C 3.11Å; E232-T242 VanDerWaalsContact O-CA 3.22Å; E232-T242 WeakPolarHBondContact O-CA 3.29Å; H233-T242 PolarHBondContact ND1-OG1 2.86Å; Q240-T242 WeakPolarHBondContact CG-O 3.41Å; Q240-T242 PolarHBondContact NE2-O 3.06Å; T242-V260 HydrophobicContact CG2-CG2 3.94Å
243Y98.7Very high96.8Very high0 Ų037 Ų370%022%0.22CC..  trans-131138.8-178.4-53-111.3000110.5S231 E232 Y234 F236 K237 Q240 H259 M288 H290S231-Y243 VanDerWaalsContact O-CB 3.29Å; S231-Y243 WeakPolarHBondContact O-CB 3.45Å; E232-Y243 PolarHBondContact O-N 3.27Å; Y234-Y243 WeakPolarHBondContact O-CE2 3.25Å; F236-Y243 HydrophobicContact CB-CE1 3.83Å; F236-Y243 PolarHBondContact N-OH 3.17Å; K237-Y243 HydrophobicContact CB-CE1 4.25Å; K237-Y243 PolarHBondContact N-OH 3.16Å; K237-Y243 PolarHBondContact O-OH 3.09Å; Q240-Y243 HydrophobicContact CB-CE1 4.37Å; Q240-Y243 HydrophobicContact CG-CD1 4.46Å; Q240-Y243 HydrophobicContact CG-CE1 4.03Å; Q240-Y243 HydrophobicContact CG-CE2 4.2Å; Q240-Y243 WeakPolarHBondContact O-CE2 3.46Å; Q240-Y243 PolarHBondContact O-OH 2.7Å; Y243-H259 WeakPolarHBondContact O-CB 3.2Å; Y243-M288 HydrophobicContact CD1-CB 4.15Å; Y243-M288 HydrophobicContact CD1-CG 4.09Å; Y243-M288 HydrophobicContact CD1-SD 4.33Å; Y243-M288 HydrophobicContact CE1-CB 4.04Å; Y243-M288 HydrophobicContact CE1-CG 4.09Å; Y243-M288 HydrophobicContact CE1-SD 3.86Å; Y243-H290 AromaticContact CD1-NE2 3.85Å; Y243-H290 AromaticContact CG-NE2 3.8Å
244S98.8Very high96.8Very high2 Ų238.5 Ų38.51%0.01423%0.226CC..  trans-91.1154.6169.5-63.30000110.8Y246 G257 H259 V260 E261 H289 H290S244-Y246 WeakPolarHBondContact CB-OH 3.49Å; S244-Y246 PolarHBondContact OG-OH 3.36Å; S244-G257 CarbonylContact C-O 3.43Å; S244-G257 WeakPolarHBondContact CA-O 3.22Å; S244-G257 WeakPolarHBondContact CB-O 3.2Å; S244-H259 PolarHBondContact OG-N 3.09Å; S244-V260 WeakPolarHBondContact OG-CB 3.34Å; S244-V260 WeakPolarHBondContact OG-CG2 3.23Å; S244-V260 PolarHBondContact OG-N 3.18Å; S244-E261 PolarHBondContact OG-OE2 3.23Å; S244-H289 CarbonylContact O-C 3.51Å; S244-H289 VanDerWaalsContact O-CA 3.25Å; S244-H289 WeakPolarHBondContact O-CA 3.39Å; S244-H289 VanDerWaalsContact O-CB 3.29Å; S244-H289 WeakPolarHBondContact O-CB 3.43Å; S244-H290 PolarHBondContact O-N 3.19Å
245Y98.8Very high96.8Very high6 Ų640 Ų402%0.02424%0.235CC..BIsolated β-bridgetrans-116.6121.4170.1163.6-99.6000109.9G247 V248 L249 N250 G257 H290 T291 W293Y245-G247 WeakPolarHBondContact CE1-O 3.46Å; Y245-G247 VanDerWaalsContact OH-CA 3.29Å; Y245-G247 WeakPolarHBondContact OH-CA 3.32Å; Y245-V248 PolarHBondContact OH-N 2.86Å; Y245-L249 HydrophobicContact CE1-CB 3.94Å; Y245-L249 PolarHBondContact OH-N 3.25Å; Y245-N250 PolarHBondContact O-ND2 3.45Å; Y245-G257 PolarHBondContact N-O 2.74Å; Y245-G257 CarbonylContact O-C 3.51Å; Y245-G257 VanDerWaalsContact O-C 3.32Å; Y245-G257 WeakPolarHBondContact O-CA 3.13Å; Y245-H290 VanDerWaalsContact CA-O 3.29Å; Y245-H290 WeakPolarHBondContact CA-O 3.49Å; Y245-H290 HydrophobicContact CD2-CB 4.19Å; Y245-T291 VanDerWaalsContact CE2-C 3.41Å; Y245-T291 WeakPolarHBondContact CE2-O 3.11Å; Y245-W293 HydrophobicContact CD1-CD2 4.06Å; Y245-W293 AromaticContact CD1-CE2 3.53Å; Y245-W293 AromaticContact CD1-CH2 3.99Å; Y245-W293 HydrophobicContact CD1-CH2 3.99Å; Y245-W293 AromaticContact CD1-CZ2 3.49Å; Y245-W293 HydrophobicContact CD1-CZ2 3.49Å; Y245-W293 VanDerWaalsContact CD1-CZ2 3.49Å; Y245-W293 HydrophobicContact CD1-CZ3 4.47Å; Y245-W293 AromaticContact CD1-NE1 3.98Å; Y245-W293 AromaticContact CD2-CD1 3.85Å; Y245-W293 HydrophobicContact CD2-CD2 4.36Å; Y245-W293 HydrophobicContact CD2-CG 4.17Å; Y245-W293 AromaticContact CD2-NE1 3.83Å; Y245-W293 HydrophobicContact CE1-CD2 4.18Å; Y245-W293 HydrophobicContact CE1-CE3 4.32Å; Y245-W293 HydrophobicContact CE1-CH2 4.3Å; Y245-W293 HydrophobicContact CE1-CZ2 4.17Å; Y245-W293 HydrophobicContact CE1-CZ3 4.38Å; Y245-W293 HydrophobicContact CE2-CD2 4.45Å; Y245-W293 HydrophobicContact CE2-CG 4.27Å; Y245-W293 AromaticContact CG-CD1 3.98Å; Y245-W293 HydrophobicContact CG-CD2 4.15Å; Y245-W293 AromaticContact CG-CE2 3.53Å; Y245-W293 HydrophobicContact CG-CG 4.37Å; Y245-W293 AromaticContact CG-CZ2 3.87Å; Y245-W293 HydrophobicContact CG-CZ2 3.87Å; Y245-W293 AromaticContact CG-NE1 3.46Å
246Y98.3Very high96.9Very high44 Ų4439.9 Ų39.917%0.17323%0.234CC..  trans-111.980.8175.4-53.5-55.4000110.2S244 Y258 E261 R277 H289 H290S244-Y246 WeakPolarHBondContact CB-OH 3.49Å; S244-Y246 PolarHBondContact OG-OH 3.36Å; Y246-Y258 HydrophobicContact CD1-CD1 4.02Å; Y246-Y258 HydrophobicContact CD1-CD2 4.48Å; Y246-Y258 AromaticContact CD1-CE1 3.63Å; Y246-Y258 HydrophobicContact CD1-CE1 3.63Å; Y246-Y258 HydrophobicContact CD1-CE2 4.18Å; Y246-Y258 HydrophobicContact CD1-CG 4.41Å; Y246-Y258 AromaticContact CD1-CZ 3.73Å; Y246-Y258 AromaticContact CE1-CD1 3.46Å; Y246-Y258 HydrophobicContact CE1-CD1 3.46Å; Y246-Y258 VanDerWaalsContact CE1-CD1 3.46Å; Y246-Y258 AromaticContact CE1-CE1 3.46Å; Y246-Y258 HydrophobicContact CE1-CE1 3.46Å; Y246-Y258 VanDerWaalsContact CE1-CE1 3.46Å; Y246-Y258 HydrophobicContact CE1-CG 4Å; Y246-E261 WeakPolarHBondContact CE1-OE1 3.45Å; Y246-E261 PolarHBondContact OH-OE1 3.24Å; Y246-E261 PolarHBondContact OH-OE2 2.83Å; Y246-R277 VanDerWaalsContact CZ-CZ 3.46Å; Y246-R277 PolarHBondContact OH-NH1 2.95Å; Y246-H289 HydrophobicContact CD2-CB 3.91Å; Y246-H289 AromaticContact CD2-CD2 3.67Å; Y246-H289 AromaticContact CD2-CG 3.75Å; Y246-H289 HydrophobicContact CE2-CB 3.69Å; Y246-H289 AromaticContact CE2-CG 3.83Å; Y246-H290 PolarHBondContact N-O 3.29Å
247G98Very high97Very high24 Ų2438 Ų3825%0.24723%0.226CC..SBendtrans-151.6-178.3175.800000113.9Y245 L249 N250Y245-G247 WeakPolarHBondContact CE1-O 3.46Å; Y245-G247 VanDerWaalsContact OH-CA 3.29Å; Y245-G247 WeakPolarHBondContact OH-CA 3.32Å; G247-L249 PolarHBondContact O-N 2.88Å; G247-L249 VanDerWaalsContact O-N 3.16Å; G247-N250 WeakPolarHBondContact O-CB 3.35Å; G247-N250 PolarHBondContact O-N 2.99Å; G247-N250 PolarHBondContact O-ND2 3.37Å
248V97.8Very high97.1Very high106 Ų10635.7 Ų35.764%0.64222%0.215SC*.G310 helixtrans-62.9-24.5-167.571.10000114.2Y245 N250 L251Y245-V248 PolarHBondContact OH-N 2.86Å; V248-N250 PolarHBondContact O-N 3.24Å; V248-N250 VanDerWaalsContact O-N 3.16Å; V248-L251 HydrophobicContact CG2-CD1 3.74Å; V248-L251 WeakPolarHBondContact O-CB 3.29Å; V248-L251 VanDerWaalsContact O-CG 3.32Å; V248-L251 WeakPolarHBondContact O-CG 3.19Å; V248-L251 PolarHBondContact O-N 3.27Å; V248-L251 VanDerWaalsContact O-N 3.09Å
249L98.2Very high97.5Very high38 Ų3831.3 Ų31.320%0.19919%0.186CC..G310 helixtrans-68-15.6-178.6-64.4177.7000112.9P224 T225 Y245 G247 L251 V252 T253 W293P224-L249 HydrophobicContact CB-CD1 4.05Å; P224-L249 WeakPolarHBondContact O-CD1 3.48Å; T225-L249 HydrophobicContact CG2-CD2 4.28Å; Y245-L249 HydrophobicContact CE1-CB 3.94Å; Y245-L249 PolarHBondContact OH-N 3.25Å; G247-L249 PolarHBondContact O-N 2.88Å; G247-L249 VanDerWaalsContact O-N 3.16Å; L249-L251 PolarHBondContact O-N 2.73Å; L249-L251 VanDerWaalsContact O-N 3.17Å; L249-V252 WeakPolarHBondContact O-CG2 3.32Å; L249-V252 PolarHBondContact O-N 3.35Å; L249-V252 VanDerWaalsContact O-N 3.11Å; L249-T253 VanDerWaalsContact C-OG1 3.3Å; L249-T253 WeakPolarHBondContact O-CB 3.33Å; L249-T253 WeakPolarHBondContact O-CG2 3.44Å; L249-T253 PolarHBondContact O-N 3.43Å; L249-T253 PolarHBondContact O-OG1 3.47Å; L249-W293 HydrophobicContact CB-CE3 3.74Å; L249-W293 HydrophobicContact CB-CZ3 3.66Å; L249-W293 HydrophobicContact CD1-CB 4.23Å; L249-W293 HydrophobicContact CD1-CD2 4.36Å; L249-W293 HydrophobicContact CD1-CE3 3.55Å; L249-W293 HydrophobicContact CD1-CZ3 4.28Å; L249-W293 HydrophobicContact CG-CE3 4.29Å
250N98.5Very high98Very high11 Ų1128.1 Ų28.16%0.05915%0.152CC..G310 helixtrans-56.2-27.5169.6-80.7-37.6000113.2Y245 G247 V248 V252 T253 F254 N255 G257Y245-N250 PolarHBondContact O-ND2 3.45Å; G247-N250 WeakPolarHBondContact O-CB 3.35Å; G247-N250 PolarHBondContact O-N 2.99Å; G247-N250 PolarHBondContact O-ND2 3.37Å; V248-N250 PolarHBondContact O-N 3.24Å; V248-N250 VanDerWaalsContact O-N 3.16Å; N250-V252 PolarHBondContact O-N 3.38Å; N250-T253 WeakPolarHBondContact CA-OG1 3.47Å; N250-T253 PolarHBondContact O-N 3.32Å; N250-F254 PolarHBondContact O-N 3.17Å; N250-N255 WeakPolarHBondContact CB-OD1 3.39Å; N250-N255 PolarHBondContact O-N 3.12Å; N250-N255 WeakPolarHBondContact OD1-CA 3.04Å; N250-G257 WeakPolarHBondContact OD1-CA 3.36Å; N250-G257 PolarHBondContact OD1-N 3.14Å
251L96.6Very high98.1Very high143 Ų14327.6 Ų27.675%0.74915%0.15SC*.G310 helixtrans-62.2-26.5177.5-64.8177.5000113.7V248 L249V248-L251 HydrophobicContact CG2-CD1 3.74Å; V248-L251 WeakPolarHBondContact O-CB 3.29Å; V248-L251 VanDerWaalsContact O-CG 3.32Å; V248-L251 WeakPolarHBondContact O-CG 3.19Å; V248-L251 PolarHBondContact O-N 3.27Å; V248-L251 VanDerWaalsContact O-N 3.09Å; L249-L251 PolarHBondContact O-N 2.73Å; L249-L251 VanDerWaalsContact O-N 3.17Å
252V96.8Very high98.3Very high52 Ų5226.8 Ų26.832%0.31515%0.146SC..G310 helixtrans-113.95.9-179.7-60.60000112.5V79 S83 T225 L249 N250V79-V252 HydrophobicContact CG1-CB 4.04Å; V79-V252 HydrophobicContact CG1-CG1 4.15Å; V79-V252 HydrophobicContact CG1-CG2 4.01Å; S83-V252 WeakPolarHBondContact CB-O 3.45Å; S83-V252 PolarHBondContact OG-O 3.09Å; T225-V252 HydrophobicContact CG2-CG2 4.17Å; L249-V252 WeakPolarHBondContact O-CG2 3.32Å; L249-V252 PolarHBondContact O-N 3.35Å; L249-V252 VanDerWaalsContact O-N 3.11Å; N250-V252 PolarHBondContact O-N 3.38Å
253T97.9Very high98.3Very high0 Ų026.7 Ų26.70%015%0.145CC..THydrogen-bonded Turntrans-130.823.5-173.755.70000112.7L86 T225 L249 N250 N255 V256 W293L86-T253 HydrophobicContact CD1-CG2 3.39Å; T225-T253 HydrophobicContact CG2-CG2 4.37Å; L249-T253 VanDerWaalsContact C-OG1 3.3Å; L249-T253 WeakPolarHBondContact O-CB 3.33Å; L249-T253 WeakPolarHBondContact O-CG2 3.44Å; L249-T253 PolarHBondContact O-N 3.43Å; L249-T253 PolarHBondContact O-OG1 3.47Å; N250-T253 WeakPolarHBondContact CA-OG1 3.47Å; N250-T253 PolarHBondContact O-N 3.32Å; T253-N255 PolarHBondContact O-N 3.17Å; T253-N255 VanDerWaalsContact O-N 3.1Å; T253-V256 WeakPolarHBondContact O-CB 3.33Å; T253-V256 PolarHBondContact O-N 3.21Å; T253-W293 HydrophobicContact CG2-CH2 4.24Å; T253-W293 HydrophobicContact CG2-CZ3 3.91Å
254F97.9Very high98.3Very high37 Ų3726.7 Ų26.716%0.16215%0.145CC..THydrogen-bonded Turntrans52.234.6176.7-58.3-74.9000113.9F43 V46 V47 M50 S83 L86 A87 E90 N250 V256 G270F43-F254 AromaticContact CD2-CD1 3.95Å; F43-F254 HydrophobicContact CD2-CD1 3.95Å; F43-F254 AromaticContact CD2-CE1 3.84Å; F43-F254 HydrophobicContact CD2-CE1 3.84Å; F43-F254 HydrophobicContact CD2-CZ 4.46Å; F43-F254 AromaticContact CE2-CD1 3.96Å; F43-F254 HydrophobicContact CE2-CD1 3.96Å; F43-F254 HydrophobicContact CE2-CD2 4.47Å; F43-F254 AromaticContact CE2-CE1 3.9Å; F43-F254 HydrophobicContact CE2-CE1 3.9Å; F43-F254 HydrophobicContact CE2-CE2 4.42Å; F43-F254 HydrophobicContact CE2-CG 4.25Å; F43-F254 HydrophobicContact CE2-CZ 4.15Å; V46-F254 HydrophobicContact CG1-CE1 4Å; V46-F254 HydrophobicContact CG1-CZ 4.1Å; V47-F254 HydrophobicContact CG2-CZ 4.42Å; M50-F254 HydrophobicContact CE-CE2 3.91Å; M50-F254 HydrophobicContact CE-CZ 3.55Å; M50-F254 HydrophobicContact SD-CZ 4.41Å; S83-F254 WeakPolarHBondContact O-CE2 3.34Å; S83-F254 WeakPolarHBondContact OG-CE2 3.4Å; L86-F254 HydrophobicContact CB-CD2 4.26Å; A87-F254 HydrophobicContact CB-CE2 3.86Å; A87-F254 HydrophobicContact CB-CZ 4.37Å; E90-F254 HydrophobicContact CG-CB 4.35Å; N250-F254 PolarHBondContact O-N 3.17Å; F254-V256 PolarHBondContact O-N 3Å; F254-G270 VanDerWaalsContact O-CA 3.23Å; F254-G270 WeakPolarHBondContact O-CA 3.29Å
255N98.5Very high98.2Very high34 Ų3426.7 Ų26.718%0.18215%0.145CC..THydrogen-bonded Turntrans57.525.8-174.5-62.8-43.6000115N250 T253 G257 Y258 G270N250-N255 WeakPolarHBondContact CB-OD1 3.39Å; N250-N255 PolarHBondContact O-N 3.12Å; N250-N255 WeakPolarHBondContact OD1-CA 3.04Å; T253-N255 PolarHBondContact O-N 3.17Å; T253-N255 VanDerWaalsContact O-N 3.1Å; N255-G257 PolarHBondContact O-N 2.9Å; N255-Y258 HydrophobicContact CB-CD2 3.77Å; N255-Y258 HydrophobicContact CB-CE2 4.31Å; N255-Y258 WeakPolarHBondContact O-CB 3.32Å; N255-Y258 PolarHBondContact O-N 2.8Å; N255-G270 VanDerWaalsContact CB-O 3.3Å; N255-G270 WeakPolarHBondContact CB-O 3.25Å; N255-G270 PolarHBondContact ND2-O 2.94Å
256V98.2Very high98.1Very high4 Ų427.5 Ų27.52%0.02415%0.151CC..THydrogen-bonded Turntrans-54.7-27.6174.775.90000112.1L86 T253 F254 Y258 H259 W293L86-V256 HydrophobicContact CD1-CB 4.24Å; L86-V256 HydrophobicContact CD1-CG1 3.63Å; L86-V256 HydrophobicContact CD2-CB 4.31Å; L86-V256 HydrophobicContact CD2-CG1 4.21Å; L86-V256 HydrophobicContact CD2-CG2 4.08Å; T253-V256 WeakPolarHBondContact O-CB 3.33Å; T253-V256 PolarHBondContact O-N 3.21Å; F254-V256 PolarHBondContact O-N 3Å; V256-Y258 PolarHBondContact O-N 3.34Å; V256-Y258 VanDerWaalsContact O-N 3.1Å; V256-H259 WeakPolarHBondContact O-CA 3.47Å; V256-H259 WeakPolarHBondContact O-CB 3.26Å; V256-H259 PolarHBondContact O-N 3.1Å; V256-W293 HydrophobicContact CG1-CH2 3.84Å; V256-W293 HydrophobicContact CG1-CZ2 4.3Å
257G98.7Very high98Very high1 Ų128.5 Ų28.51%0.0116%0.159CC..THydrogen-bonded Turntrans-59.7-20174.500000114S244 Y245 N250 N255 H259S244-G257 CarbonylContact C-O 3.43Å; S244-G257 WeakPolarHBondContact CA-O 3.22Å; S244-G257 WeakPolarHBondContact CB-O 3.2Å; Y245-G257 PolarHBondContact N-O 2.74Å; Y245-G257 CarbonylContact O-C 3.51Å; Y245-G257 VanDerWaalsContact O-C 3.32Å; Y245-G257 WeakPolarHBondContact O-CA 3.13Å; N250-G257 WeakPolarHBondContact OD1-CA 3.36Å; N250-G257 PolarHBondContact OD1-N 3.14Å; N255-G257 PolarHBondContact O-N 2.9Å; G257-H259 PolarHBondContact O-N 3.24Å
258Y98.8Very high98Very high44 Ų4427.4 Ų27.417%0.17315%0.148CC..  trans-76.856167.2-70-102.8000110.1Y246 N255 V256 E261 H262 L273 P274 R277Y246-Y258 HydrophobicContact CD1-CD1 4.02Å; Y246-Y258 HydrophobicContact CD1-CD2 4.48Å; Y246-Y258 AromaticContact CD1-CE1 3.63Å; Y246-Y258 HydrophobicContact CD1-CE1 3.63Å; Y246-Y258 HydrophobicContact CD1-CE2 4.18Å; Y246-Y258 HydrophobicContact CD1-CG 4.41Å; Y246-Y258 AromaticContact CD1-CZ 3.73Å; Y246-Y258 AromaticContact CE1-CD1 3.46Å; Y246-Y258 HydrophobicContact CE1-CD1 3.46Å; Y246-Y258 VanDerWaalsContact CE1-CD1 3.46Å; Y246-Y258 AromaticContact CE1-CE1 3.46Å; Y246-Y258 HydrophobicContact CE1-CE1 3.46Å; Y246-Y258 VanDerWaalsContact CE1-CE1 3.46Å; Y246-Y258 HydrophobicContact CE1-CG 4Å; N255-Y258 HydrophobicContact CB-CD2 3.77Å; N255-Y258 HydrophobicContact CB-CE2 4.31Å; N255-Y258 WeakPolarHBondContact O-CB 3.32Å; N255-Y258 PolarHBondContact O-N 2.8Å; V256-Y258 PolarHBondContact O-N 3.34Å; V256-Y258 VanDerWaalsContact O-N 3.1Å; Y258-E261 WeakPolarHBondContact CA-OE2 3.16Å; Y258-E261 HydrophobicContact CD1-CG 4.45Å; Y258-E261 WeakPolarHBondContact CD1-OE1 3.38Å; Y258-E261 WeakPolarHBondContact O-CB 3.44Å; Y258-E261 PolarHBondContact O-N 3.35Å; Y258-H262 WeakPolarHBondContact O-CB 3.22Å; Y258-H262 PolarHBondContact O-N 3.49Å; Y258-L273 HydrophobicContact CG-CB 4.09Å; Y258-P274 HydrophobicContact CD1-CB 4.49Å; Y258-P274 HydrophobicContact CD1-CG 4.37Å; Y258-P274 HydrophobicContact CD2-CG 4.24Å; Y258-P274 HydrophobicContact CE1-CB 3.83Å; Y258-P274 HydrophobicContact CE1-CG 3.95Å; Y258-P274 HydrophobicContact CE2-CB 4.46Å; Y258-P274 HydrophobicContact CE2-CG 3.76Å; Y258-R277 HydrophobicContact CD1-CB 4.5Å; Y258-R277 HydrophobicContact CE1-CB 4.49Å
259H98.8Very high98Very high4 Ų422.5 Ų22.52%0.01912%0.118CC..Hα-helixtrans-77.9-38-161.8-163.156.9000113.4E232 H233 Y243 S244 V256 G257 E261 H262 H263E232-H259 WeakPolarHBondContact CB-CD2 3.44Å; E232-H259 WeakPolarHBondContact CB-NE2 3.49Å; E232-H259 HydrophobicContact CG-CB 4.22Å; E232-H259 VanDerWaalsContact CG-CD2 3.46Å; E232-H259 WeakPolarHBondContact CG-CD2 3.36Å; H233-H259 AromaticContact CD2-NE2 3.63Å; H233-H259 AromaticContact CE1-CD2 3.94Å; H233-H259 AromaticContact CE1-NE2 3.49Å; H233-H259 PolarHBondContact CE1-NE2 3.44Å; H233-H259 AromaticContact NE2-CD2 3.68Å; H233-H259 AromaticContact NE2-CE1 3.91Å; H233-H259 AromaticContact NE2-NE2 2.85Å; H233-H259 PolarHBondContact NE2-NE2 3.41Å; Y243-H259 WeakPolarHBondContact O-CB 3.2Å; S244-H259 PolarHBondContact OG-N 3.09Å; V256-H259 WeakPolarHBondContact O-CA 3.47Å; V256-H259 WeakPolarHBondContact O-CB 3.26Å; V256-H259 PolarHBondContact O-N 3.1Å; G257-H259 PolarHBondContact O-N 3.24Å; H259-E261 VanDerWaalsContact C-N 3.31Å; H259-E261 PolarHBondContact O-N 3.48Å; H259-H262 PolarHBondContact O-N 3.35Å; H259-H263 AromaticContact CD2-CD2 3.79Å; H259-H263 AromaticContact CD2-NE2 3.97Å; H259-H263 AromaticContact CE1-CD2 3.33Å; H259-H263 PolarHBondContact CE1-CD2 3.03Å; H259-H263 AromaticContact CE1-NE2 3.19Å; H259-H263 PolarHBondContact CE1-NE2 3.27Å; H259-H263 AromaticContact ND1-CD2 3.83Å; H259-H263 AromaticContact NE2-CD2 3.27Å; H259-H263 PolarHBondContact NE2-CD2 3.21Å; H259-H263 VanDerWaalsContact NE2-CD2 3.27Å; H259-H263 AromaticContact NE2-NE2 3.03Å; H259-H263 PolarHBondContact NE2-NE2 3.33Å; H259-H263 PolarHBondContact O-CD2 3.35Å; H259-H263 PolarHBondContact O-N 3.27Å
260V98.8Very high97.9Very high4 Ų420.8 Ų20.82%0.02411%0.109CC..Hα-helixtrans-60.8-45.8171.9-179.60000109.6T242 S244 H262 H263 D264 Y284 Y287T242-V260 HydrophobicContact CG2-CG2 3.94Å; S244-V260 WeakPolarHBondContact OG-CB 3.34Å; S244-V260 WeakPolarHBondContact OG-CG2 3.23Å; S244-V260 PolarHBondContact OG-N 3.18Å; V260-H262 VanDerWaalsContact C-N 3.33Å; V260-H262 PolarHBondContact O-N 2.84Å; V260-H263 PolarHBondContact O-N 3.17Å; V260-D264 VanDerWaalsContact O-CG 3.25Å; V260-D264 PolarHBondContact O-N 3.45Å; V260-Y284 HydrophobicContact CB-CD1 4.37Å; V260-Y284 HydrophobicContact CG1-CD1 3.85Å; V260-Y284 HydrophobicContact CG1-CE1 4.02Å; V260-Y287 HydrophobicContact CG1-CD2 4.28Å; V260-Y287 HydrophobicContact CG1-CE2 4.31Å
261E98.6Very high97.8Very high0 Ų024 Ų240%012%0.124CC..Hα-helixtrans-61.6-41.5175.8-59.885.915400111.6S244 Y246 Y258 H259 D264 F265 L273 V276 R277 Y284S244-E261 PolarHBondContact OG-OE2 3.23Å; Y246-E261 WeakPolarHBondContact CE1-OE1 3.45Å; Y246-E261 PolarHBondContact OH-OE1 3.24Å; Y246-E261 PolarHBondContact OH-OE2 2.83Å; Y258-E261 WeakPolarHBondContact CA-OE2 3.16Å; Y258-E261 HydrophobicContact CD1-CG 4.45Å; Y258-E261 WeakPolarHBondContact CD1-OE1 3.38Å; Y258-E261 WeakPolarHBondContact O-CB 3.44Å; Y258-E261 PolarHBondContact O-N 3.35Å; H259-E261 VanDerWaalsContact C-N 3.31Å; H259-E261 PolarHBondContact O-N 3.48Å; E261-D264 PolarHBondContact O-N 2.85Å; E261-F265 PolarHBondContact O-N 3.07Å; E261-L273 HydrophobicContact CB-CD2 4.33Å; E261-V276 HydrophobicContact CB-CB 4.47Å; E261-V276 HydrophobicContact CB-CG1 4.34Å; E261-V276 HydrophobicContact CG-CG1 4.48Å; E261-R277 HydrophobicContact CG-CB 4.14Å; E261-R277 WeakPolarHBondContact OE1-CB 3.36Å; E261-R277 WeakPolarHBondContact OE1-CD 3.47Å; E261-Y284 HydrophobicContact CB-CE1 4.28Å; E261-Y284 HydrophobicContact CG-CD1 3.87Å; E261-Y284 HydrophobicContact CG-CD2 4.33Å; E261-Y284 HydrophobicContact CG-CE1 3.69Å; E261-Y284 HydrophobicContact CG-CE2 4.14Å; E261-Y284 HydrophobicContact CG-CG 4.18Å
262H98.6Very high97.9Very high2 Ų219.3 Ų19.31%0.00910%0.098CC..Hα-helixtrans-63.6-47.4178.6177.661.7000111.9H89 H93 H132 Y258 H259 V260 D264 F265 P266 L273H89-H262 AromaticContact CE1-CD2 3.63Å; H89-H262 AromaticContact CE1-CE1 3.5Å; H89-H262 PolarHBondContact CE1-CE1 3.29Å; H89-H262 VanDerWaalsContact CE1-CE1 3.5Å; H89-H262 AromaticContact CE1-NE2 3.12Å; H89-H262 PolarHBondContact CE1-NE2 3.41Å; H89-H262 AromaticContact NE2-CD2 3.75Å; H89-H262 AromaticContact NE2-NE2 3.29Å; H89-H262 PolarHBondContact NE2-NE2 3.43Å; H93-H262 AromaticContact CD2-CE1 3.52Å; H93-H262 AromaticContact CD2-NE2 3.64Å; H93-H262 AromaticContact NE2-CE1 3.52Å; H93-H262 AromaticContact NE2-NE2 3.18Å; H93-H262 PolarHBondContact NE2-NE2 3.1Å; H93-H262 VanDerWaalsContact NE2-NE2 3.18Å; H132-H262 AromaticContact CE1-CD2 3.44Å; H132-H262 PolarHBondContact CE1-CD2 3.17Å; H132-H262 VanDerWaalsContact CE1-CD2 3.44Å; H132-H262 AromaticContact CE1-NE2 3.27Å; H132-H262 PolarHBondContact CE1-NE2 3.29Å; H132-H262 VanDerWaalsContact CE1-NE2 3.27Å; H132-H262 AromaticContact NE2-CD2 3.82Å; H132-H262 AromaticContact NE2-NE2 3.35Å; H132-H262 PolarHBondContact NE2-NE2 3.34Å; Y258-H262 WeakPolarHBondContact O-CB 3.22Å; Y258-H262 PolarHBondContact O-N 3.49Å; H259-H262 PolarHBondContact O-N 3.35Å; V260-H262 VanDerWaalsContact C-N 3.33Å; V260-H262 PolarHBondContact O-N 2.84Å; H262-D264 VanDerWaalsContact C-N 3.3Å; H262-D264 PolarHBondContact O-N 3.49Å; H262-F265 CarbonylContact O-C 3.55Å; H262-F265 PolarHBondContact O-N 2.87Å; H262-P266 WeakPolarHBondContact O-CA 3.49Å; H262-P266 VanDerWaalsContact O-CD 3.29Å; H262-P266 WeakPolarHBondContact O-CD 3.43Å; H262-L273 HydrophobicContact CB-CD1 3.87Å; H262-L273 HydrophobicContact CB-CD2 4.38Å
263H98.5Very high98Very high5 Ų516.8 Ų16.82%0.0238%0.083CC..Hα-helixtrans-65.7-33.9177.2-89-108.2000113H19 H131 H132 H233 H259 V260H19-H263 HydrophobicContact CB-CB 4.25Å; H19-H263 AromaticContact CD2-ND1 3.95Å; H19-H263 WeakPolarHBondContact CE1-CB 3.44Å; H19-H263 AromaticContact CE1-CG 3.91Å; H19-H263 VanDerWaalsContact CG-CB 3.49Å; H19-H263 WeakPolarHBondContact ND1-CB 3.48Å; H19-H263 AromaticContact NE2-CG 3.92Å; H19-H263 AromaticContact NE2-ND1 3.94Å; H131-H263 AromaticContact CD2-CE1 3.74Å; H131-H263 AromaticContact NE2-CE1 3.25Å; H131-H263 PolarHBondContact NE2-CE1 3.21Å; H131-H263 VanDerWaalsContact NE2-CE1 3.25Å; H131-H263 AromaticContact NE2-NE2 3.58Å; H132-H263 AromaticContact CE1-CD2 3.56Å; H132-H263 AromaticContact CE1-CE1 3.67Å; H132-H263 AromaticContact CE1-CG 3.7Å; H132-H263 AromaticContact CE1-ND1 3.78Å; H132-H263 AromaticContact CE1-NE2 3.51Å; H132-H263 AromaticContact ND1-CE1 3.72Å; H132-H263 AromaticContact ND1-CG 3.78Å; H132-H263 AromaticContact ND1-ND1 3.56Å; H132-H263 AromaticContact NE2-NE2 3.98Å; H233-H263 AromaticContact CE1-CE1 3.5Å; H233-H263 AromaticContact CE1-NE2 3.53Å; H233-H263 AromaticContact NE2-CE1 3.47Å; H233-H263 PolarHBondContact NE2-CE1 3.19Å; H233-H263 AromaticContact NE2-NE2 3.21Å; H233-H263 PolarHBondContact NE2-NE2 3.47Å; H259-H263 AromaticContact CD2-CD2 3.79Å; H259-H263 AromaticContact CD2-NE2 3.97Å; H259-H263 AromaticContact CE1-CD2 3.33Å; H259-H263 PolarHBondContact CE1-CD2 3.03Å; H259-H263 AromaticContact CE1-NE2 3.19Å; H259-H263 PolarHBondContact CE1-NE2 3.27Å; H259-H263 AromaticContact ND1-CD2 3.83Å; H259-H263 AromaticContact NE2-CD2 3.27Å; H259-H263 PolarHBondContact NE2-CD2 3.21Å; H259-H263 VanDerWaalsContact NE2-CD2 3.27Å; H259-H263 AromaticContact NE2-NE2 3.03Å; H259-H263 PolarHBondContact NE2-NE2 3.33Å; H259-H263 PolarHBondContact O-CD2 3.35Å; H259-H263 PolarHBondContact O-N 3.27Å; V260-H263 PolarHBondContact O-N 3.17Å
264D98.6Very high98Very high0 Ų018 Ų180%09%0.09CC..Hα-helixtrans-66.6-42.1172.9-69.2-6.3000110.6H19 R22 R23 V260 E261 H262 Y284H19-D264 WeakPolarHBondContact CA-OD1 3.49Å; H19-D264 WeakPolarHBondContact CB-OD1 3.26Å; H19-D264 IonicContact CE1-OD1 3.27Å; H19-D264 IonicContact CG-OD1 2.85Å; H19-D264 IonicContact ND1-OD1 2.78Å; H19-D264 PolarHBondContact ND1-OD1 3.22Å; R22-D264 IonicContact CZ-OD1 3.4Å; R22-D264 IonicContact CZ-OD2 3.54Å; R22-D264 IonicContact NE-OD1 3.27Å; R22-D264 PolarHBondContact NE-OD1 3.25Å; R22-D264 IonicContact NE-OD2 2.72Å; R22-D264 PolarHBondContact NE-OD2 3.49Å; R22-D264 IonicContact NH2-OD1 2.88Å; R22-D264 PolarHBondContact NH2-OD1 3.29Å; R22-D264 IonicContact NH2-OD2 3.58Å; R22-D264 PolarHBondContact NH2-OD2 2.84Å; R23-D264 WeakPolarHBondContact CB-O 3.44Å; R23-D264 WeakPolarHBondContact CD-O 3.36Å; R23-D264 WeakPolarHBondContact CG-O 3.45Å; R23-D264 PolarHBondContact NH1-O 2.92Å; V260-D264 VanDerWaalsContact O-CG 3.25Å; V260-D264 PolarHBondContact O-N 3.45Å; E261-D264 PolarHBondContact O-N 2.85Å; H262-D264 VanDerWaalsContact C-N 3.3Å; H262-D264 PolarHBondContact O-N 3.49Å; D264-Y284 WeakPolarHBondContact OD2-CE1 3.21Å
265F98.3Very high98Very high1 Ų119.7 Ų19.70%0.00410%0.1CC..  trans-131.767.9-173.2-62.6-81.3000113.5R23 I26 L27 V33 Y37 E261 H262 N267 V268 V276R23-F265 HydrophobicContact CG-CD1 4.21Å; R23-F265 HydrophobicContact CG-CE1 3.76Å; R23-F265 HydrophobicContact CG-CZ 4.1Å; I26-F265 HydrophobicContact CB-CE2 4.23Å; I26-F265 HydrophobicContact CB-CZ 3.85Å; I26-F265 HydrophobicContact CD1-CE2 3.9Å; I26-F265 HydrophobicContact CD1-CZ 4.38Å; I26-F265 HydrophobicContact CG2-CE2 3.89Å; I26-F265 HydrophobicContact CG2-CZ 3.56Å; L27-F265 HydrophobicContact CD1-CE1 4.37Å; L27-F265 HydrophobicContact CD2-CE1 3.89Å; L27-F265 HydrophobicContact CG-CE1 3.87Å; L27-F265 HydrophobicContact CG-CZ 4.35Å; V33-F265 HydrophobicContact CG1-CD1 3.85Å; V33-F265 HydrophobicContact CG1-CD2 4.4Å; V33-F265 HydrophobicContact CG1-CE1 3.55Å; V33-F265 HydrophobicContact CG1-CE2 4.15Å; V33-F265 HydrophobicContact CG1-CG 4.27Å; V33-F265 HydrophobicContact CG1-CZ 3.72Å; Y37-F265 AromaticContact CE1-CD1 3.98Å; Y37-F265 HydrophobicContact CE1-CD1 3.98Å; E261-F265 PolarHBondContact O-N 3.07Å; H262-F265 CarbonylContact O-C 3.55Å; H262-F265 PolarHBondContact O-N 2.87Å; F265-N267 PolarHBondContact O-N 3.19Å; F265-V268 HydrophobicContact CB-CB 4.24Å; F265-V268 HydrophobicContact CB-CG2 3.76Å; F265-V268 WeakPolarHBondContact O-CB 3.3Å; F265-V268 PolarHBondContact O-N 3.3Å; F265-V276 HydrophobicContact CD2-CG1 3.63Å; F265-V276 HydrophobicContact CE2-CG1 3.95Å; F265-V276 HydrophobicContact CG-CG1 4.48Å
266P96.9Very high98Very high24 Ų2418 Ų1816%0.1569%0.092CC..THydrogen-bonded Turntrans-68.5-11.7-174.925.8-35.2000113.8H262H262-P266 WeakPolarHBondContact O-CA 3.49Å; H262-P266 VanDerWaalsContact O-CD 3.29Å; H262-P266 WeakPolarHBondContact O-CD 3.43Å
267N96.1Very high98Very high65 Ų6519.9 Ų19.935%0.34810%0.098SC..THydrogen-bonded Turntrans-90.84.8173.8-67.8-42.5000113.6Y37 H99 F265Y37-N267 HydrophobicContact CD1-CB 3.97Å; Y37-N267 HydrophobicContact CE1-CB 4.19Å; H99-N267 PolarHBondContact CE1-OD1 2.67Å; H99-N267 PolarHBondContact NE2-OD1 2.91Å; F265-N267 PolarHBondContact O-N 3.19Å
268V97.8Very high98Very high0 Ų027.4 Ų27.40%013%0.131CC..BIsolated β-bridgetrans-97.5115.8168.51770000107.5L36 Y37 F265 K272 L273 V276L36-V268 HydrophobicContact CB-CG1 4.13Å; L36-V268 HydrophobicContact CB-CG2 4.05Å; Y37-V268 HydrophobicContact CD1-CG2 3.56Å; Y37-V268 HydrophobicContact CE1-CG2 3.85Å; F265-V268 HydrophobicContact CB-CB 4.24Å; F265-V268 HydrophobicContact CB-CG2 3.76Å; F265-V268 WeakPolarHBondContact O-CB 3.3Å; F265-V268 PolarHBondContact O-N 3.3Å; V268-K272 HydrophobicContact CG1-CB 3.55Å; V268-L273 HydrophobicContact CB-CD2 4.1Å; V268-L273 HydrophobicContact CG1-CD2 4.03Å; V268-V276 HydrophobicContact CB-CG2 4.43Å; V268-V276 HydrophobicContact CG1-CG2 3.95Å; V268-V276 HydrophobicContact CG2-CG2 4.25Å
269S96.7Very high98Very high3 Ų328 Ų282%0.02114%0.137CC..  trans-57.5146.2175.959.90000111.9G38 H271 K272G38-S269 PolarHBondContact O-OG 2.89Å; S269-H271 VanDerWaalsContact C-N 3.26Å; S269-H271 PolarHBondContact O-N 3.21Å; S269-H271 PolarHBondContact OG-CE1 3.1Å; S269-H271 PolarHBondContact OG-ND1 3.43Å; S269-K272 PolarHBondContact O-N 2.84Å
270G96.6Very high97.9Very high2 Ų227.9 Ų27.92%0.02114%0.136CC..G310 helixtrans-42.6-42.3-177.800000116.4E90 F254 N255 K272 L273E90-G270 PolarHBondContact OE2-N 2.9Å; F254-G270 VanDerWaalsContact O-CA 3.23Å; F254-G270 WeakPolarHBondContact O-CA 3.29Å; N255-G270 VanDerWaalsContact CB-O 3.3Å; N255-G270 WeakPolarHBondContact CB-O 3.25Å; N255-G270 PolarHBondContact ND2-O 2.94Å; G270-K272 PolarHBondContact O-N 3.15Å; G270-L273 PolarHBondContact O-N 3.05Å; G270-L273 VanDerWaalsContact O-N 3.15Å
271H96.5Very high97.9Very high78 Ų7829.9 Ų29.936%0.36115%0.149SC..G310 helixtrans-60.9-20.5-17985.5-73.1000114.6D40 S269D40-H271 WeakPolarHBondContact CB-ND1 3.28Å; S269-H271 VanDerWaalsContact C-N 3.26Å; S269-H271 PolarHBondContact O-N 3.21Å; S269-H271 PolarHBondContact OG-CE1 3.1Å; S269-H271 PolarHBondContact OG-ND1 3.43Å
272K98.3Very high97.9Very high45 Ų4533.1 Ų33.120%0.19616%0.164CC..G310 helixtrans-104-9.1179.5-73.3176.8-179.8-179.70114.1L36 V268 S269 G270 P274 L275 V276L36-K272 HydrophobicContact CB-CD 4.36Å; L36-K272 HydrophobicContact CD2-CD 4.36Å; L36-K272 WeakPolarHBondContact O-CD 3.29Å; V268-K272 HydrophobicContact CG1-CB 3.55Å; S269-K272 PolarHBondContact O-N 2.84Å; G270-K272 PolarHBondContact O-N 3.15Å; K272-P274 VanDerWaalsContact C-N 3.28Å; K272-L275 HydrophobicContact CB-CD1 4.5Å; K272-L275 HydrophobicContact CG-CD1 4.23Å; K272-L275 WeakPolarHBondContact O-CA 3.21Å; K272-L275 VanDerWaalsContact O-CB 3.27Å; K272-L275 WeakPolarHBondContact O-CB 3.13Å; K272-L275 PolarHBondContact O-N 3.43Å; K272-V276 PolarHBondContact O-N 3.01Å
273L98.5Very high97.8Very high0 Ų034.9 Ų34.90%017%0.171CC..Hα-helixtrans-55.1-36.9176.2-64176000113.4Y258 E261 H262 V268 G270 L275 V276 R277Y258-L273 HydrophobicContact CG-CB 4.09Å; E261-L273 HydrophobicContact CB-CD2 4.33Å; H262-L273 HydrophobicContact CB-CD1 3.87Å; H262-L273 HydrophobicContact CB-CD2 4.38Å; V268-L273 HydrophobicContact CB-CD2 4.1Å; V268-L273 HydrophobicContact CG1-CD2 4.03Å; G270-L273 PolarHBondContact O-N 3.05Å; G270-L273 VanDerWaalsContact O-N 3.15Å; L273-L275 PolarHBondContact O-N 2.83Å; L273-V276 WeakPolarHBondContact O-CB 3.11Å; L273-V276 PolarHBondContact O-N 2.82Å; L273-V276 VanDerWaalsContact O-N 3.07Å; L273-R277 PolarHBondContact O-N 2.68Å
274P98.4Very high97.8Very high24 Ų2434.8 Ų34.816%0.15617%0.17CC..Hα-helixtrans-60.3-27172.1-23.132.4000114.3Y258 K272 K278Y258-P274 HydrophobicContact CD1-CB 4.49Å; Y258-P274 HydrophobicContact CD1-CG 4.37Å; Y258-P274 HydrophobicContact CD2-CG 4.24Å; Y258-P274 HydrophobicContact CE1-CB 3.83Å; Y258-P274 HydrophobicContact CE1-CG 3.95Å; Y258-P274 HydrophobicContact CE2-CB 4.46Å; Y258-P274 HydrophobicContact CE2-CG 3.76Å; K272-P274 VanDerWaalsContact C-N 3.28Å; P274-K278 VanDerWaalsContact O-CG 3.3Å; P274-K278 WeakPolarHBondContact O-CG 3.37Å; P274-K278 PolarHBondContact O-N 3.38Å
275L98.5Very high97.8Very high73 Ų7339.2 Ų39.238%0.38219%0.194SC..Hα-helixtrans-76.5-33.6176.1-56.9178.5000111.5L36 K272 L273 R277 K278 L279L36-L275 HydrophobicContact CD1-CB 3.77Å; L36-L275 HydrophobicContact CD2-CB 4Å; L36-L275 HydrophobicContact CD2-CD1 3.87Å; K272-L275 HydrophobicContact CB-CD1 4.5Å; K272-L275 HydrophobicContact CG-CD1 4.23Å; K272-L275 WeakPolarHBondContact O-CA 3.21Å; K272-L275 VanDerWaalsContact O-CB 3.27Å; K272-L275 WeakPolarHBondContact O-CB 3.13Å; K272-L275 PolarHBondContact O-N 3.43Å; L273-L275 PolarHBondContact O-N 2.83Å; L275-R277 VanDerWaalsContact C-N 3.34Å; L275-K278 HydrophobicContact CD2-CD 4.27Å; L275-K278 PolarHBondContact O-N 2.99Å; L275-L279 WeakPolarHBondContact O-CG 3.39Å; L275-L279 PolarHBondContact O-N 2.95Å
276V98.5Very high97.7Very high0 Ų044.5 Ų44.50%022%0.222CC..Hα-helixtrans-58.2-49.3172.9179.60000109.7L36 E261 F265 V268 K272 L273 K278 L279 A280 Y284L36-V276 HydrophobicContact CD1-CB 4.38Å; L36-V276 HydrophobicContact CD1-CG2 3.63Å; E261-V276 HydrophobicContact CB-CB 4.47Å; E261-V276 HydrophobicContact CB-CG1 4.34Å; E261-V276 HydrophobicContact CG-CG1 4.48Å; F265-V276 HydrophobicContact CD2-CG1 3.63Å; F265-V276 HydrophobicContact CE2-CG1 3.95Å; F265-V276 HydrophobicContact CG-CG1 4.48Å; V268-V276 HydrophobicContact CB-CG2 4.43Å; V268-V276 HydrophobicContact CG1-CG2 3.95Å; V268-V276 HydrophobicContact CG2-CG2 4.25Å; K272-V276 PolarHBondContact O-N 3.01Å; L273-V276 WeakPolarHBondContact O-CB 3.11Å; L273-V276 PolarHBondContact O-N 2.82Å; L273-V276 VanDerWaalsContact O-N 3.07Å; V276-K278 VanDerWaalsContact C-N 3.32Å; V276-K278 PolarHBondContact O-N 3.42Å; V276-L279 PolarHBondContact O-N 3.47Å; V276-A280 PolarHBondContact O-N 3.37Å; V276-Y284 HydrophobicContact CG1-CE2 4.04Å; V276-Y284 WeakPolarHBondContact CG1-OH 3.37Å
277R98.1Very high97.7Very high43 Ų4346.4 Ų46.416%0.16223%0.226CC..Hα-helixtrans-57.9-42.8175.5-174.5178.617091-5.1112.5Y246 Y258 E261 L273 L275 L279 A280 P281 Y284 D285Y246-R277 VanDerWaalsContact CZ-CZ 3.46Å; Y246-R277 PolarHBondContact OH-NH1 2.95Å; Y258-R277 HydrophobicContact CD1-CB 4.5Å; Y258-R277 HydrophobicContact CE1-CB 4.49Å; E261-R277 HydrophobicContact CG-CB 4.14Å; E261-R277 WeakPolarHBondContact OE1-CB 3.36Å; E261-R277 WeakPolarHBondContact OE1-CD 3.47Å; L273-R277 PolarHBondContact O-N 2.68Å; L275-R277 VanDerWaalsContact C-N 3.34Å; R277-L279 VanDerWaalsContact C-N 3.35Å; R277-L279 PolarHBondContact O-N 3.21Å; R277-A280 CarbonylContact O-C 3.58Å; R277-P281 WeakPolarHBondContact O-CA 3.12Å; R277-P281 VanDerWaalsContact O-N 3.13Å; R277-Y284 HydrophobicContact CB-CD2 4.23Å; R277-Y284 HydrophobicContact CG-CD2 4.18Å; R277-Y284 HydrophobicContact CG-CG 4.44Å; R277-D285 IonicContact CZ-OD1 3.18Å; R277-D285 IonicContact NE-OD1 3.19Å; R277-D285 IonicContact NH1-OD1 2.82Å; R277-D285 IonicContact NH2-OD1 3.45Å; R277-D285 PolarHBondContact NH2-OD1 2.8Å
278K98.4Very high97.8Very high159 Ų15946.4 Ų46.469%0.69123%0.225SC*.Hα-helixtrans-67.1-31.6-180-75.4174.4-177.1-178.70113.7P274 L275 V276P274-K278 VanDerWaalsContact O-CG 3.3Å; P274-K278 WeakPolarHBondContact O-CG 3.37Å; P274-K278 PolarHBondContact O-N 3.38Å; L275-K278 HydrophobicContact CD2-CD 4.27Å; L275-K278 PolarHBondContact O-N 2.99Å; V276-K278 VanDerWaalsContact C-N 3.32Å; V276-K278 PolarHBondContact O-N 3.42Å
279L98.1Very high97.9Very high57 Ų5750.2 Ų50.230%0.29824%0.242SC..Hα-helixtrans-75.4-36.5179.5-75.1173000112.4E32 V33 L36 L275 V276 R277 P281E32-L279 HydrophobicContact CG-CD1 4.14Å; E32-L279 HydrophobicContact CG-CD2 3.92Å; V33-L279 HydrophobicContact CG2-CB 4.21Å; V33-L279 HydrophobicContact CG2-CD1 3.81Å; L36-L279 HydrophobicContact CD1-CD1 3.66Å; L36-L279 HydrophobicContact CG-CD1 4.24Å; L275-L279 WeakPolarHBondContact O-CG 3.39Å; L275-L279 PolarHBondContact O-N 2.95Å; V276-L279 PolarHBondContact O-N 3.47Å; R277-L279 VanDerWaalsContact C-N 3.35Å; R277-L279 PolarHBondContact O-N 3.21Å; L279-P281 VanDerWaalsContact C-CD 3.44Å
280A97.4Very high98Very high0 Ų050.6 Ų50.60%024%0.244CC..SBendtrans-129.854.6-174.500000111.8I26 Y30 V276 R277 E282 Y283 Y284I26-A280 HydrophobicContact CG1-CB 4.43Å; I26-A280 HydrophobicContact CG2-CB 4.06Å; Y30-A280 HydrophobicContact CD2-CB 3.69Å; Y30-A280 HydrophobicContact CE2-CB 3.89Å; Y30-A280 HydrophobicContact CG-CB 4.49Å; V276-A280 PolarHBondContact O-N 3.37Å; R277-A280 CarbonylContact O-C 3.58Å; A280-E282 VanDerWaalsContact C-N 3.26Å; A280-E282 PolarHBondContact O-N 2.76Å; A280-Y283 HydrophobicContact CB-CD2 3.9Å; A280-Y283 PolarHBondContact O-N 2.92Å; A280-Y283 VanDerWaalsContact O-N 3.08Å; A280-Y284 HydrophobicContact CB-CE2 4.22Å; A280-Y284 WeakPolarHBondContact O-CD2 3.21Å
281P97.8Very high98Very high47 Ų4755.2 Ų55.231%0.30527%0.272SS..G310 helixtrans-60.3-33.4-169.725.5-35.2000113R277 L279 Y283 Y284 D285R277-P281 WeakPolarHBondContact O-CA 3.12Å; R277-P281 VanDerWaalsContact O-N 3.13Å; L279-P281 VanDerWaalsContact C-CD 3.44Å; P281-Y283 PolarHBondContact O-N 2.82Å; P281-Y283 VanDerWaalsContact O-N 3.16Å; P281-Y284 PolarHBondContact O-N 3.02Å; P281-D285 WeakPolarHBondContact O-CB 3.05Å; P281-D285 PolarHBondContact O-N 3.17Å
282E98.3Very high98.1Very high67 Ų6753.6 Ų53.631%0.31327%0.269SS..G310 helixtrans-64.6-20.2179.773.3-82.8-158.900113.7K29 Y30 A280 Y284 I286K29-E282 IonicContact NZ-OE1 2.64Å; K29-E282 PolarHBondContact NZ-OE1 3.29Å; Y30-E282 WeakPolarHBondContact CE2-OE1 3.42Å; Y30-E282 PolarHBondContact OH-OE1 2.9Å; A280-E282 VanDerWaalsContact C-N 3.26Å; A280-E282 PolarHBondContact O-N 2.76Å; E282-Y284 VanDerWaalsContact C-N 3.35Å; E282-I286 WeakPolarHBondContact O-CG2 3.47Å
283Y98.2Very high98.1Very high39 Ų3951.5 Ų51.515%0.15326%0.26CS..G310 helixtrans-82.2-13.3174-72.3-89.7000112.8R22 E25 I26 K29 Y30 A280 P281 Y287R22-Y283 HydrophobicContact CG-CD1 3.83Å; E25-Y283 HydrophobicContact CB-CE1 3.99Å; I26-Y283 HydrophobicContact CD1-CD1 4.08Å; I26-Y283 HydrophobicContact CD1-CD2 4.3Å; I26-Y283 HydrophobicContact CD1-CG 3.82Å; I26-Y283 HydrophobicContact CG1-CD1 3.72Å; I26-Y283 HydrophobicContact CG1-CD2 3.71Å; I26-Y283 HydrophobicContact CG1-CE1 3.92Å; I26-Y283 HydrophobicContact CG1-CE2 3.9Å; I26-Y283 HydrophobicContact CG1-CG 3.59Å; K29-Y283 HydrophobicContact CD-CE2 4.09Å; Y30-Y283 HydrophobicContact CE2-CE2 4.12Å; A280-Y283 HydrophobicContact CB-CD2 3.9Å; A280-Y283 PolarHBondContact O-N 2.92Å; A280-Y283 VanDerWaalsContact O-N 3.08Å; P281-Y283 PolarHBondContact O-N 2.82Å; P281-Y283 VanDerWaalsContact O-N 3.16Å; Y283-Y287 WeakPolarHBondContact O-CD2 3.29Å; Y283-Y287 WeakPolarHBondContact O-CE2 3.22Å
284Y98.5Very high98.1Very high3 Ų355.4 Ų55.41%0.01228%0.284CS..THydrogen-bonded Turntrans-123.2-32.5-173.8-54.4-67.5000113.8I26 V260 E261 D264 V276 R277 A280 P281 E282 I286 Y287I26-Y284 HydrophobicContact CD1-CE2 4.37Å; I26-Y284 WeakPolarHBondContact CD1-OH 2.82Å; V260-Y284 HydrophobicContact CB-CD1 4.37Å; V260-Y284 HydrophobicContact CG1-CD1 3.85Å; V260-Y284 HydrophobicContact CG1-CE1 4.02Å; E261-Y284 HydrophobicContact CB-CE1 4.28Å; E261-Y284 HydrophobicContact CG-CD1 3.87Å; E261-Y284 HydrophobicContact CG-CD2 4.33Å; E261-Y284 HydrophobicContact CG-CE1 3.69Å; E261-Y284 HydrophobicContact CG-CE2 4.14Å; E261-Y284 HydrophobicContact CG-CG 4.18Å; D264-Y284 WeakPolarHBondContact OD2-CE1 3.21Å; V276-Y284 HydrophobicContact CG1-CE2 4.04Å; V276-Y284 WeakPolarHBondContact CG1-OH 3.37Å; R277-Y284 HydrophobicContact CB-CD2 4.23Å; R277-Y284 HydrophobicContact CG-CD2 4.18Å; R277-Y284 HydrophobicContact CG-CG 4.44Å; A280-Y284 HydrophobicContact CB-CE2 4.22Å; A280-Y284 WeakPolarHBondContact O-CD2 3.21Å; P281-Y284 PolarHBondContact O-N 3.02Å; E282-Y284 VanDerWaalsContact C-N 3.35Å; Y284-I286 PolarHBondContact O-N 3.41Å; Y284-Y287 PolarHBondContact O-N 2.92Å
285D97.6Very high98.1Very high93 Ų9361 Ų6150%0.49730%0.302SS..THydrogen-bonded Turntrans-69.5-21.1-178.6-73.1-11.3000112.8R277 P281 Y287R277-D285 IonicContact CZ-OD1 3.18Å; R277-D285 IonicContact NE-OD1 3.19Å; R277-D285 IonicContact NH1-OD1 2.82Å; R277-D285 IonicContact NH2-OD1 3.45Å; R277-D285 PolarHBondContact NH2-OD1 2.8Å; P281-D285 WeakPolarHBondContact O-CB 3.05Å; P281-D285 PolarHBondContact O-N 3.17Å; D285-Y287 VanDerWaalsContact C-N 3.29Å; D285-Y287 PolarHBondContact O-N 3.39Å
286I96.8Very high98.1Very high113 Ų11357.5 Ų57.558%0.57928%0.284SS*.THydrogen-bonded Turntrans-73.2-20.5176.961.4170.5000113.3E282 Y284E282-I286 WeakPolarHBondContact O-CG2 3.47Å; Y284-I286 PolarHBondContact O-N 3.41Å
287Y97.6Very high98.1Very high64 Ų6458.4 Ų58.425%0.25129%0.288SS..SBendtrans-85.1149.3-176.3-69.6-60.8000111.9R22 Q240 V260 Y283 Y284 D285 H289R22-Y287 VanDerWaalsContact NH1-CZ 3.33Å; R22-Y287 PolarHBondContact NH1-OH 2.69Å; Q240-Y287 HydrophobicContact CG-CD1 4.04Å; V260-Y287 HydrophobicContact CG1-CD2 4.28Å; V260-Y287 HydrophobicContact CG1-CE2 4.31Å; Y283-Y287 WeakPolarHBondContact O-CD2 3.29Å; Y283-Y287 WeakPolarHBondContact O-CE2 3.22Å; Y284-Y287 PolarHBondContact O-N 2.92Å; D285-Y287 VanDerWaalsContact C-N 3.29Å; D285-Y287 PolarHBondContact O-N 3.39Å; Y287-H289 PolarHBondContact O-N 2.69Å
288M98Very high98.1Very high65 Ų6562.1 Ų62.132%0.3230%0.302SS..  trans-61.9136.6163.1176.5178.7172.200108.5F236 K237 Q240 Y243F236-M288 HydrophobicContact CB-CE 3.73Å; F236-M288 HydrophobicContact CB-SD 3.95Å; F236-M288 HydrophobicContact CG-CE 4.39Å; K237-M288 HydrophobicContact CB-CB 4.42Å; K237-M288 HydrophobicContact CB-SD 3.8Å; K237-M288 HydrophobicContact CD-CB 3.97Å; Q240-M288 PolarHBondContact NE2-O 3.47Å; Y243-M288 HydrophobicContact CD1-CB 4.15Å; Y243-M288 HydrophobicContact CD1-CG 4.09Å; Y243-M288 HydrophobicContact CD1-SD 4.33Å; Y243-M288 HydrophobicContact CE1-CB 4.04Å; Y243-M288 HydrophobicContact CE1-CG 4.09Å; Y243-M288 HydrophobicContact CE1-SD 3.86Å
289H98.5Very high98.1Very high79 Ų7956 Ų5637%0.36628%0.276SS..  trans-132.7159174.459.7-91000110.2S244 Y246 Y287S244-H289 CarbonylContact O-C 3.51Å; S244-H289 VanDerWaalsContact O-CA 3.25Å; S244-H289 WeakPolarHBondContact O-CA 3.39Å; S244-H289 VanDerWaalsContact O-CB 3.29Å; S244-H289 WeakPolarHBondContact O-CB 3.43Å; Y246-H289 HydrophobicContact CD2-CB 3.91Å; Y246-H289 AromaticContact CD2-CD2 3.67Å; Y246-H289 AromaticContact CD2-CG 3.75Å; Y246-H289 HydrophobicContact CE2-CB 3.69Å; Y246-H289 AromaticContact CE2-CG 3.83Å; Y287-H289 PolarHBondContact O-N 2.69Å
290H98.7Very high98Very high11 Ų1153.3 Ų53.35%0.05126%0.262CS..BIsolated β-bridgetrans-95.7151176-60.4-72.7000111.1F236 Y243 S244 Y245 Y246 V296F236-H290 AromaticContact CD1-CE1 3.82Å; F236-H290 AromaticContact CD2-CE1 3.56Å; F236-H290 AromaticContact CD2-NE2 3.6Å; F236-H290 AromaticContact CE1-CE1 4Å; F236-H290 AromaticContact CE2-CE1 3.82Å; F236-H290 AromaticContact CE2-NE2 3.87Å; F236-H290 AromaticContact CG-CE1 3.62Å; Y243-H290 AromaticContact CD1-NE2 3.85Å; Y243-H290 AromaticContact CG-NE2 3.8Å; S244-H290 PolarHBondContact O-N 3.19Å; Y245-H290 VanDerWaalsContact CA-O 3.29Å; Y245-H290 WeakPolarHBondContact CA-O 3.49Å; Y245-H290 HydrophobicContact CD2-CB 4.19Å; Y246-H290 PolarHBondContact N-O 3.29Å; H290-V296 HydrophobicContact CB-CG2 4.16Å; H290-V296 WeakPolarHBondContact ND1-CG2 3.36Å
291T98.2Very high98.1Very high99 Ų9953.8 Ų53.861%0.60727%0.265SS*.SBendtrans-121.9-7.3173.555.90000112.7Y245Y245-T291 VanDerWaalsContact CE2-C 3.41Å; Y245-T291 WeakPolarHBondContact CE2-O 3.11Å
292S98.5Very high98Very high45 Ų4556.8 Ų56.832%0.31527%0.273SS..  trans-147.6115.9176.5175.20000111.7V294 W295 V296S292-V294 VanDerWaalsContact C-N 3.31Å; S292-V294 PolarHBondContact OG-N 2.7Å; S292-W295 WeakPolarHBondContact O-CB 3.43Å; S292-W295 PolarHBondContact O-N 3.45Å; S292-W295 PolarHBondContact OG-N 2.76Å; S292-W295 VanDerWaalsContact OG-N 3.12Å; S292-V296 PolarHBondContact O-N 3.18Å; S292-V296 VanDerWaalsContact O-N 3.11Å
293W98.4Very high97.9Very high1 Ų155.4 Ų55.40%0.00427%0.268CS..Hα-helixtrans-70.6-26.4171.9-78.5-25.4000113.3P224 H228 S231 Y245 L249 T253 V256 W295 V296 L297P224-W293 WeakPolarHBondContact O-CB 3.4Å; H228-W293 HydrophobicContact CB-CD2 4.1Å; H228-W293 VanDerWaalsContact CB-CE2 3.5Å; H228-W293 HydrophobicContact CB-CE3 4.37Å; H228-W293 HydrophobicContact CB-CH2 3.67Å; H228-W293 HydrophobicContact CB-CZ2 3.28Å; H228-W293 HydrophobicContact CB-CZ3 4.18Å; S231-W293 PolarHBondContact OG-NE1 3.21Å; Y245-W293 HydrophobicContact CD1-CD2 4.06Å; Y245-W293 AromaticContact CD1-CE2 3.53Å; Y245-W293 AromaticContact CD1-CH2 3.99Å; Y245-W293 HydrophobicContact CD1-CH2 3.99Å; Y245-W293 AromaticContact CD1-CZ2 3.49Å; Y245-W293 HydrophobicContact CD1-CZ2 3.49Å; Y245-W293 VanDerWaalsContact CD1-CZ2 3.49Å; Y245-W293 HydrophobicContact CD1-CZ3 4.47Å; Y245-W293 AromaticContact CD1-NE1 3.98Å; Y245-W293 AromaticContact CD2-CD1 3.85Å; Y245-W293 HydrophobicContact CD2-CD2 4.36Å; Y245-W293 HydrophobicContact CD2-CG 4.17Å; Y245-W293 AromaticContact CD2-NE1 3.83Å; Y245-W293 HydrophobicContact CE1-CD2 4.18Å; Y245-W293 HydrophobicContact CE1-CE3 4.32Å; Y245-W293 HydrophobicContact CE1-CH2 4.3Å; Y245-W293 HydrophobicContact CE1-CZ2 4.17Å; Y245-W293 HydrophobicContact CE1-CZ3 4.38Å; Y245-W293 HydrophobicContact CE2-CD2 4.45Å; Y245-W293 HydrophobicContact CE2-CG 4.27Å; Y245-W293 AromaticContact CG-CD1 3.98Å; Y245-W293 HydrophobicContact CG-CD2 4.15Å; Y245-W293 AromaticContact CG-CE2 3.53Å; Y245-W293 HydrophobicContact CG-CG 4.37Å; Y245-W293 AromaticContact CG-CZ2 3.87Å; Y245-W293 HydrophobicContact CG-CZ2 3.87Å; Y245-W293 AromaticContact CG-NE1 3.46Å; L249-W293 HydrophobicContact CB-CE3 3.74Å; L249-W293 HydrophobicContact CB-CZ3 3.66Å; L249-W293 HydrophobicContact CD1-CB 4.23Å; L249-W293 HydrophobicContact CD1-CD2 4.36Å; L249-W293 HydrophobicContact CD1-CE3 3.55Å; L249-W293 HydrophobicContact CD1-CZ3 4.28Å; L249-W293 HydrophobicContact CG-CE3 4.29Å; T253-W293 HydrophobicContact CG2-CH2 4.24Å; T253-W293 HydrophobicContact CG2-CZ3 3.91Å; V256-W293 HydrophobicContact CG1-CH2 3.84Å; V256-W293 HydrophobicContact CG1-CZ2 4.3Å; W293-W295 VanDerWaalsContact C-N 3.28Å; W293-W295 PolarHBondContact O-N 3.09Å; W293-V296 WeakPolarHBondContact O-CB 3.19Å; W293-V296 PolarHBondContact O-N 2.78Å; W293-L297 WeakPolarHBondContact O-CG 3.43Å; W293-L297 PolarHBondContact O-N 3.4Å
294V98.3Very high97.8Very high82 Ų8255.7 Ų55.750%0.49728%0.275SS..Hα-helixtrans-63.1-40.6170.2179.10000110.3P224 S292 L297 W298P224-V294 HydrophobicContact CB-CG2 3.78Å; P224-V294 HydrophobicContact CG-CG2 4.04Å; S292-V294 VanDerWaalsContact C-N 3.31Å; S292-V294 PolarHBondContact OG-N 2.7Å; V294-L297 PolarHBondContact O-N 3.06Å; V294-W298 PolarHBondContact O-N 3.49Å
295W98.2Very high97.6Very high141 Ų14159.7 Ų59.753%0.53430%0.296SS..Hα-helixtrans-66.1-38.1174.8-176.5-117.7000112.1S292 W293 W298 Q299S292-W295 WeakPolarHBondContact O-CB 3.43Å; S292-W295 PolarHBondContact O-N 3.45Å; S292-W295 PolarHBondContact OG-N 2.76Å; S292-W295 VanDerWaalsContact OG-N 3.12Å; W293-W295 VanDerWaalsContact C-N 3.28Å; W293-W295 PolarHBondContact O-N 3.09Å; W295-W298 HydrophobicContact CE3-CB 4.24Å; W295-W298 HydrophobicContact CE3-CD2 4.19Å; W295-W298 HydrophobicContact CE3-CE3 4.03Å; W295-W298 HydrophobicContact CE3-CG 4.3Å; W295-W298 HydrophobicContact CH2-CD2 4.37Å; W295-W298 AromaticContact CH2-CE3 3.7Å; W295-W298 HydrophobicContact CH2-CE3 3.7Å; W295-W298 HydrophobicContact CH2-CH2 4.38Å; W295-W298 AromaticContact CH2-CZ3 3.73Å; W295-W298 HydrophobicContact CH2-CZ3 3.73Å; W295-W298 HydrophobicContact CZ2-CE3 4.4Å; W295-W298 HydrophobicContact CZ2-CZ3 4.46Å; W295-W298 AromaticContact CZ3-CD2 3.72Å; W295-W298 HydrophobicContact CZ3-CD2 3.72Å; W295-W298 AromaticContact CZ3-CE3 3.47Å; W295-W298 HydrophobicContact CZ3-CE3 3.47Å; W295-W298 VanDerWaalsContact CZ3-CE3 3.47Å; W295-W298 HydrophobicContact CZ3-CG 4.23Å; W295-W298 AromaticContact CZ3-CZ3 3.94Å; W295-W298 HydrophobicContact CZ3-CZ3 3.94Å; W295-W298 PolarHBondContact O-N 2.83Å; W295-Q299 HydrophobicContact CD2-CG 4.16Å; W295-Q299 HydrophobicContact CG-CG 4.37Å; W295-Q299 HydrophobicContact CZ2-CG 4.24Å; W295-Q299 WeakPolarHBondContact O-CB 3.27Å; W295-Q299 VanDerWaalsContact O-CG 3.26Å; W295-Q299 WeakPolarHBondContact O-CG 3.42Å; W295-Q299 PolarHBondContact O-N 3.08Å
296V98.5Very high97.5Very high0 Ų055.5 Ų55.50%027%0.274CS..Hα-helixtrans-58.6-47.91731660000111.5G227 I230 F236 H290 S292 W293 W298 Q299 Y300G227-V296 WeakPolarHBondContact O-CG1 3.36Å; I230-V296 HydrophobicContact CB-CG1 3.81Å; I230-V296 HydrophobicContact CG2-CG1 3.89Å; F236-V296 HydrophobicContact CE2-CG1 4.47Å; F236-V296 HydrophobicContact CZ-CG1 3.9Å; F236-V296 HydrophobicContact CZ-CG2 4.46Å; H290-V296 HydrophobicContact CB-CG2 4.16Å; H290-V296 WeakPolarHBondContact ND1-CG2 3.36Å; S292-V296 PolarHBondContact O-N 3.18Å; S292-V296 VanDerWaalsContact O-N 3.11Å; W293-V296 WeakPolarHBondContact O-CB 3.19Å; W293-V296 PolarHBondContact O-N 2.78Å; V296-W298 VanDerWaalsContact C-N 3.32Å; V296-W298 PolarHBondContact O-N 2.9Å; V296-Q299 PolarHBondContact O-N 3.42Å; V296-Y300 WeakPolarHBondContact O-CB 3.47Å; V296-Y300 PolarHBondContact O-N 2.81Å
297L98.2Very high97.4Very high18 Ų1850.1 Ų50.19%0.09425%0.246CC..Hα-helixtrans-61.3-41.7176.7-67.1173.9000111.6L163 H223 I230 W293 V294 Y300 V301L163-L297 HydrophobicContact CD1-CD2 4.17Å; L163-L297 HydrophobicContact CD2-CD2 4.11Å; H223-L297 WeakPolarHBondContact O-CD1 3.37Å; I230-L297 HydrophobicContact CD1-CD2 3.81Å; W293-L297 WeakPolarHBondContact O-CG 3.43Å; W293-L297 PolarHBondContact O-N 3.4Å; V294-L297 PolarHBondContact O-N 3.06Å; L297-Y300 PolarHBondContact O-N 3.46Å; L297-V301 WeakPolarHBondContact O-CG2 3.1Å; L297-V301 PolarHBondContact O-N 3.49Å; L297-V301 VanDerWaalsContact O-N 3.12Å
298W97.9Very high97.4Very high121 Ų12147.1 Ų47.146%0.45824%0.235SC..Hα-helixtrans-61.9-48176.2-172.395.8000111.6V294 W295 V296 Y300 V301 F302V294-W298 PolarHBondContact O-N 3.49Å; W295-W298 HydrophobicContact CE3-CB 4.24Å; W295-W298 HydrophobicContact CE3-CD2 4.19Å; W295-W298 HydrophobicContact CE3-CE3 4.03Å; W295-W298 HydrophobicContact CE3-CG 4.3Å; W295-W298 HydrophobicContact CH2-CD2 4.37Å; W295-W298 AromaticContact CH2-CE3 3.7Å; W295-W298 HydrophobicContact CH2-CE3 3.7Å; W295-W298 HydrophobicContact CH2-CH2 4.38Å; W295-W298 AromaticContact CH2-CZ3 3.73Å; W295-W298 HydrophobicContact CH2-CZ3 3.73Å; W295-W298 HydrophobicContact CZ2-CE3 4.4Å; W295-W298 HydrophobicContact CZ2-CZ3 4.46Å; W295-W298 AromaticContact CZ3-CD2 3.72Å; W295-W298 HydrophobicContact CZ3-CD2 3.72Å; W295-W298 AromaticContact CZ3-CE3 3.47Å; W295-W298 HydrophobicContact CZ3-CE3 3.47Å; W295-W298 VanDerWaalsContact CZ3-CE3 3.47Å; W295-W298 HydrophobicContact CZ3-CG 4.23Å; W295-W298 AromaticContact CZ3-CZ3 3.94Å; W295-W298 HydrophobicContact CZ3-CZ3 3.94Å; W295-W298 PolarHBondContact O-N 2.83Å; V296-W298 VanDerWaalsContact C-N 3.32Å; V296-W298 PolarHBondContact O-N 2.9Å; W298-Y300 VanDerWaalsContact C-N 3.32Å; W298-Y300 PolarHBondContact O-N 2.92Å; W298-V301 PolarHBondContact O-N 3.11Å; W298-F302 AromaticContact CD1-CD2 3.7Å; W298-F302 AromaticContact CD1-CE2 3.82Å; W298-F302 HydrophobicContact CD2-CB 4.42Å; W298-F302 AromaticContact CD2-CD2 3.81Å; W298-F302 HydrophobicContact CD2-CD2 3.81Å; W298-F302 AromaticContact CE2-CD2 3.52Å; W298-F302 HydrophobicContact CE3-CB 4.36Å; W298-F302 AromaticContact CG-CD2 3.92Å; W298-F302 HydrophobicContact CG-CD2 3.92Å; W298-F302 HydrophobicContact CG-CE2 4.42Å; W298-F302 HydrophobicContact CH2-CB 4Å; W298-F302 HydrophobicContact CZ2-CB 4.07Å; W298-F302 HydrophobicContact CZ2-CD2 4.05Å; W298-F302 HydrophobicContact CZ2-CG 4.21Å; W298-F302 HydrophobicContact CZ3-CB 4.15Å; W298-F302 AromaticContact NE1-CD2 3.46Å; W298-F302 AromaticContact NE1-CE2 3.68Å; W298-F302 WeakPolarHBondContact O-CD2 3.43Å; W298-F302 PolarHBondContact O-N 2.67Å
299Q97.7Very high97.3Very high32 Ų3244.6 Ų44.615%0.1522%0.222CC..Hα-helixtrans-59.4-44.5176.7-75.3-69.3-41.600110.8F236 W295 V296 V301 F302 N303 I306F236-Q299 HydrophobicContact CE1-CB 4.03Å; W295-Q299 HydrophobicContact CD2-CG 4.16Å; W295-Q299 HydrophobicContact CG-CG 4.37Å; W295-Q299 HydrophobicContact CZ2-CG 4.24Å; W295-Q299 WeakPolarHBondContact O-CB 3.27Å; W295-Q299 VanDerWaalsContact O-CG 3.26Å; W295-Q299 WeakPolarHBondContact O-CG 3.42Å; W295-Q299 PolarHBondContact O-N 3.08Å; V296-Q299 PolarHBondContact O-N 3.42Å; Q299-V301 VanDerWaalsContact C-N 3.28Å; Q299-V301 PolarHBondContact O-N 2.89Å; Q299-F302 PolarHBondContact O-N 3.34Å; Q299-N303 WeakPolarHBondContact O-CA 3.18Å; Q299-N303 WeakPolarHBondContact O-CB 3.35Å; Q299-N303 PolarHBondContact O-N 2.98Å; Q299-N303 PolarHBondContact OE1-ND2 3.38Å; Q299-I306 HydrophobicContact CB-CD1 3.95Å
300Y97.6Very high97.2Very high0 Ų040.8 Ų40.80%020%0.204CC..Hα-helixtrans-56.9-42176.3-175.4-98.4000112.4K159 W162 L163 I230 Y234 V296 L297 W298 I306 P308K159-Y300 HydrophobicContact CB-CD1 4.3Å; K159-Y300 HydrophobicContact CB-CE1 3.98Å; K159-Y300 WeakPolarHBondContact CD-O 3.45Å; K159-Y300 WeakPolarHBondContact CE-O 3.37Å; K159-Y300 HydrophobicContact CG-CE1 4.35Å; K159-Y300 PolarHBondContact NZ-O 3Å; W162-Y300 HydrophobicContact CD2-CE1 4.27Å; W162-Y300 VanDerWaalsContact CD2-OH 3.29Å; W162-Y300 AromaticContact CE3-CE1 3.42Å; W162-Y300 HydrophobicContact CE3-CE1 3.42Å; W162-Y300 VanDerWaalsContact CE3-CE1 3.42Å; W162-Y300 AromaticContact CE3-CZ 3.49Å; W162-Y300 VanDerWaalsContact CE3-CZ 3.49Å; W162-Y300 AromaticContact CZ3-CE1 3.74Å; W162-Y300 HydrophobicContact CZ3-CE1 3.74Å; W162-Y300 HydrophobicContact CZ3-CE2 4.29Å; W162-Y300 AromaticContact CZ3-CZ 3.53Å; W162-Y300 WeakPolarHBondContact CZ3-OH 3.47Å; L163-Y300 HydrophobicContact CD1-CD1 3.96Å; L163-Y300 HydrophobicContact CD2-CD1 3.64Å; L163-Y300 HydrophobicContact CD2-CE1 3.81Å; L163-Y300 HydrophobicContact CD2-CG 4.45Å; L163-Y300 HydrophobicContact CG-CD1 3.76Å; L163-Y300 HydrophobicContact CG-CE1 3.96Å; I230-Y300 HydrophobicContact CD1-CD1 3.93Å; I230-Y300 HydrophobicContact CD1-CD2 3.85Å; I230-Y300 HydrophobicContact CD1-CE2 4.47Å; I230-Y300 HydrophobicContact CD1-CG 3.54Å; I230-Y300 HydrophobicContact CG1-CD2 4.32Å; I230-Y300 HydrophobicContact CG1-CG 4.48Å; I230-Y300 HydrophobicContact CG2-CD2 3.75Å; I230-Y300 HydrophobicContact CG2-CG 4.29Å; Y234-Y300 HydrophobicContact CD1-CD2 4.38Å; Y234-Y300 HydrophobicContact CD1-CE2 4.07Å; Y234-Y300 HydrophobicContact CE1-CD2 4.32Å; Y234-Y300 AromaticContact CE1-CE2 3.6Å; Y234-Y300 HydrophobicContact CE1-CE2 3.6Å; V296-Y300 WeakPolarHBondContact O-CB 3.47Å; V296-Y300 PolarHBondContact O-N 2.81Å; L297-Y300 PolarHBondContact O-N 3.46Å; W298-Y300 VanDerWaalsContact C-N 3.32Å; W298-Y300 PolarHBondContact O-N 2.92Å; Y300-I306 HydrophobicContact CD2-CG2 3.8Å; Y300-P308 WeakPolarHBondContact OH-CG 3.04Å
301V97.7Very high97.2Very high9 Ų940.6 Ų40.66%0.05520%0.203CC..Hα-helixtrans-72.9-47.4179.3175.70000111.8A156 K159 F160 L163 L297 W298 Q299A156-V301 VanDerWaalsContact CA-O 3.23Å; A156-V301 WeakPolarHBondContact CA-O 3.42Å; A156-V301 HydrophobicContact CB-CG1 4.36Å; A156-V301 WeakPolarHBondContact CB-O 3.31Å; K159-V301 WeakPolarHBondContact CE-O 3.47Å; K159-V301 PolarHBondContact NZ-O 2.72Å; F160-V301 HydrophobicContact CB-CG1 4.13Å; F160-V301 HydrophobicContact CB-CG2 4.22Å; F160-V301 HydrophobicContact CD2-CG2 4.3Å; L163-V301 HydrophobicContact CD1-CG2 3.46Å; L163-V301 VanDerWaalsContact CD1-CG2 3.46Å; L163-V301 HydrophobicContact CG-CG2 4.49Å; L297-V301 WeakPolarHBondContact O-CG2 3.1Å; L297-V301 PolarHBondContact O-N 3.49Å; L297-V301 VanDerWaalsContact O-N 3.12Å; W298-V301 PolarHBondContact O-N 3.11Å; Q299-V301 VanDerWaalsContact C-N 3.28Å; Q299-V301 PolarHBondContact O-N 2.89Å
302F97.6Very high97.1Very high111 Ų11136.5 Ų36.549%0.48718%0.177SC..Hα-helixtrans-103.7-22.2-164.1-64.9-70.2000115.3A156 W298 Q299 P304A156-F302 HydrophobicContact CB-CD1 4.29Å; W298-F302 AromaticContact CD1-CD2 3.7Å; W298-F302 AromaticContact CD1-CE2 3.82Å; W298-F302 HydrophobicContact CD2-CB 4.42Å; W298-F302 AromaticContact CD2-CD2 3.81Å; W298-F302 HydrophobicContact CD2-CD2 3.81Å; W298-F302 AromaticContact CE2-CD2 3.52Å; W298-F302 HydrophobicContact CE3-CB 4.36Å; W298-F302 AromaticContact CG-CD2 3.92Å; W298-F302 HydrophobicContact CG-CD2 3.92Å; W298-F302 HydrophobicContact CG-CE2 4.42Å; W298-F302 HydrophobicContact CH2-CB 4Å; W298-F302 HydrophobicContact CZ2-CB 4.07Å; W298-F302 HydrophobicContact CZ2-CD2 4.05Å; W298-F302 HydrophobicContact CZ2-CG 4.21Å; W298-F302 HydrophobicContact CZ3-CB 4.15Å; W298-F302 AromaticContact NE1-CD2 3.46Å; W298-F302 AromaticContact NE1-CE2 3.68Å; W298-F302 WeakPolarHBondContact O-CD2 3.43Å; W298-F302 PolarHBondContact O-N 2.67Å; Q299-F302 PolarHBondContact O-N 3.34Å; F302-P304 WeakPolarHBondContact O-CD 3.38Å
303N96Very high97Very high37 Ų3735.1 Ų35.120%0.19817%0.166CC..  trans-77.8121.4178-171.7-22.7000110K159 Q299 D305 I306K159-N303 PolarHBondContact NZ-O 3.22Å; Q299-N303 WeakPolarHBondContact O-CA 3.18Å; Q299-N303 WeakPolarHBondContact O-CB 3.35Å; Q299-N303 PolarHBondContact O-N 2.98Å; Q299-N303 PolarHBondContact OE1-ND2 3.38Å; N303-D305 PolarHBondContact O-N 3.18Å; N303-D305 WeakPolarHBondContact OD1-CB 3.36Å; N303-D305 PolarHBondContact OD1-N 2.85Å; N303-I306 HydrophobicContact CB-CB 4.36Å; N303-I306 HydrophobicContact CB-CD1 3.93Å; N303-I306 HydrophobicContact CB-CG1 4.23Å; N303-I306 PolarHBondContact O-N 3.28Å
304P95.3Very high96.8Very high45 Ų4535.7 Ų35.729%0.29217%0.168SC..THydrogen-bonded Turntrans-65.9-20.9177.627-34.3000113.7A3 Y4 V5 S6 F302 I306A3-P304 HydrophobicContact CB-CB 3.9Å; A3-P304 HydrophobicContact CB-CG 4.32Å; Y4-P304 VanDerWaalsContact O-CB 3.31Å; Y4-P304 WeakPolarHBondContact O-CB 3.14Å; V5-P304 CarbonylContact C-O 3.52Å; V5-P304 WeakPolarHBondContact CA-O 3.23Å; S6-P304 PolarHBondContact N-O 3.25Å; S6-P304 PolarHBondContact OG-O 3.26Å; F302-P304 WeakPolarHBondContact O-CD 3.38Å; P304-I306 VanDerWaalsContact C-N 3.25Å; P304-I306 PolarHBondContact O-N 3.07Å
305D93.6Very high96.5Very high88 Ų8836.1 Ų36.147%0.47117%0.167SC..THydrogen-bonded Turntrans-82-8.4-179.7-59.7-37.5000113.3S6 N303 S310S6-D305 WeakPolarHBondContact OG-CA 3.23Å; S6-D305 PolarHBondContact OG-OD1 3.09Å; N303-D305 PolarHBondContact O-N 3.18Å; N303-D305 WeakPolarHBondContact OD1-CB 3.36Å; N303-D305 PolarHBondContact OD1-N 2.85Å; D305-S310 PolarHBondContact O-OG 3.49Å
306I95.6Very high95.6Very high5 Ų533.1 Ų33.13%0.02616%0.158CC..  trans-116.1126.9-177.3-55.4168000109.6K159 F236 Q299 Y300 N303 P304 S310K159-I306 WeakPolarHBondContact CD-O 3.49Å; K159-I306 PolarHBondContact NZ-O 3.5Å; F236-I306 HydrophobicContact CD1-CD1 3.42Å; F236-I306 VanDerWaalsContact CD1-CD1 3.42Å; F236-I306 HydrophobicContact CD1-CG1 4.43Å; F236-I306 HydrophobicContact CE1-CD1 3.29Å; F236-I306 HydrophobicContact CE1-CG1 4.41Å; F236-I306 HydrophobicContact CG-CD1 4.37Å; F236-I306 HydrophobicContact CZ-CD1 4.11Å; F236-I306 HydrophobicContact CZ-CG2 4.46Å; Q299-I306 HydrophobicContact CB-CD1 3.95Å; Y300-I306 HydrophobicContact CD2-CG2 3.8Å; N303-I306 HydrophobicContact CB-CB 4.36Å; N303-I306 HydrophobicContact CB-CD1 3.93Å; N303-I306 HydrophobicContact CB-CG1 4.23Å; N303-I306 PolarHBondContact O-N 3.28Å; P304-I306 VanDerWaalsContact C-N 3.25Å; P304-I306 PolarHBondContact O-N 3.07Å; I306-S310 WeakPolarHBondContact CA-OG 3.35Å
307G95.8Very high94.7Very high0 Ų041 Ų410%020%0.195CC..SBendtrans-169.5-170.6173.400000110.6Y234 Y309 S310Y234-G307 WeakPolarHBondContact CD1-O 3.34Å; Y234-G307 VanDerWaalsContact CE1-O 3.26Å; Y234-G307 WeakPolarHBondContact CE1-O 3.39Å; G307-Y309 PolarHBondContact O-N 2.6Å; G307-Y309 VanDerWaalsContact O-N 3.12Å; G307-S310 PolarHBondContact N-OG 2.84Å; G307-S310 VanDerWaalsContact O-CB 3.29Å; G307-S310 WeakPolarHBondContact O-CB 3.28Å; G307-S310 PolarHBondContact O-N 2.85Å; G307-S310 PolarHBondContact O-OG 2.7Å
308P96.8Very high94Very high1 Ų146.4 Ų46.41%0.00621%0.214CC..THydrogen-bonded Turntrans-61.6-22.7-177.5-12.721.4000114.2F10 P145 A150 F153 Y300 S310F10-P308 WeakPolarHBondContact CE1-O 3.37Å; P145-P308 HydrophobicContact CB-CB 3.75Å; P145-P308 HydrophobicContact CG-CB 3.98Å; A150-P308 HydrophobicContact CB-CB 3.94Å; F153-P308 HydrophobicContact CB-CG 4.21Å; Y300-P308 WeakPolarHBondContact OH-CG 3.04Å; P308-S310 VanDerWaalsContact C-N 3.29Å; P308-S310 PolarHBondContact O-N 2.56Å
309Y96.8Very high93.5Very high11 Ų1146.3 Ų46.34%0.04323%0.229CC..THydrogen-bonded Turntrans-72.6-15.5171.2-83.3-55.2000114.5R7 T8 D9 F10 A150 R151 G307 R311R7-Y309 WeakPolarHBondContact O-CD2 3.37Å; T8-Y309 WeakPolarHBondContact O-CE2 3.44Å; T8-Y309 PolarHBondContact O-OH 3.45Å; D9-Y309 VanDerWaalsContact CA-CD1 3.49Å; F10-Y309 HydrophobicContact CD1-CD1 4.15Å; F10-Y309 HydrophobicContact CD2-CD1 4Å; F10-Y309 HydrophobicContact CD2-CE1 4.09Å; F10-Y309 HydrophobicContact CE1-CD1 4.14Å; F10-Y309 HydrophobicContact CE2-CD1 4Å; F10-Y309 AromaticContact CE2-CE1 3.9Å; F10-Y309 HydrophobicContact CE2-CE1 3.9Å; F10-Y309 HydrophobicContact CG-CD1 4.08Å; F10-Y309 HydrophobicContact CZ-CD1 4.06Å; F10-Y309 HydrophobicContact CZ-CE1 4.25Å; A150-Y309 HydrophobicContact CB-CD1 3.59Å; A150-Y309 HydrophobicContact CB-CD2 3.58Å; A150-Y309 HydrophobicContact CB-CE1 3.53Å; A150-Y309 HydrophobicContact CB-CE2 3.49Å; A150-Y309 VanDerWaalsContact CB-CE2 3.49Å; A150-Y309 HydrophobicContact CB-CG 3.62Å; A150-Y309 VanDerWaalsContact CB-CZ 3.48Å; R151-Y309 HydrophobicContact CG-CE2 4.44Å; R151-Y309 WeakPolarHBondContact CG-OH 3.32Å; G307-Y309 PolarHBondContact O-N 2.6Å; G307-Y309 VanDerWaalsContact O-N 3.12Å; Y309-R311 PolarHBondContact O-N 3.31Å
310S96.6Very high93.2Very high0 Ų047 Ų470%023%0.233CC..  trans-78.557.4-177.6-50.30000110.9Y234 V235 D305 I306 G307 P308Y234-S310 CarbonylContact C-O 3.46Å; Y234-S310 WeakPolarHBondContact CA-O 3.4Å; V235-S310 PolarHBondContact N-O 3.41Å; D305-S310 PolarHBondContact O-OG 3.49Å; I306-S310 WeakPolarHBondContact CA-OG 3.35Å; G307-S310 PolarHBondContact N-OG 2.84Å; G307-S310 VanDerWaalsContact O-CB 3.29Å; G307-S310 WeakPolarHBondContact O-CB 3.28Å; G307-S310 PolarHBondContact O-N 2.85Å; G307-S310 PolarHBondContact O-OG 2.7Å; P308-S310 VanDerWaalsContact C-N 3.29Å; P308-S310 PolarHBondContact O-N 2.56Å
311R97Very high93Very high6 Ų651.3 Ų51.32%0.02326%0.256CS..SBendtrans-134.9146.2176.9-68.7-69.7-65.1-100.91.2108.9F10 E11 D143 I144 H233 Y234 Y309F10-R311 HydrophobicContact CD1-CB 4.09Å; F10-R311 HydrophobicContact CE1-CB 4.41Å; E11-R311 PolarHBondContact N-O 3.15Å; E11-R311 VanDerWaalsContact N-O 3.08Å; D143-R311 PolarHBondContact O-NH1 3.4Å; D143-R311 IonicContact OD2-CZ 3.71Å; D143-R311 VanDerWaalsContact OD2-CZ 3.27Å; D143-R311 IonicContact OD2-NH1 3.81Å; D143-R311 PolarHBondContact OD2-NH1 2.9Å; D143-R311 IonicContact OD2-NH2 3.85Å; D143-R311 PolarHBondContact OD2-NH2 3.27Å; I144-R311 HydrophobicContact CG2-CB 3.93Å; I144-R311 HydrophobicContact CG2-CG 4.28Å; H233-R311 VanDerWaalsContact O-CD 3.24Å; H233-R311 WeakPolarHBondContact O-CD 3.17Å; H233-R311 PolarHBondContact O-NE 3.16Å; Y234-R311 HydrophobicContact CD1-CG 4.46Å; Y234-R311 HydrophobicContact CE1-CG 4.38Å; Y234-R311 HydrophobicContact CE2-CG 4.45Å; Y309-R311 PolarHBondContact O-N 3.31Å
312I96.1Very high92.9Very high13 Ų1355.5 Ų55.57%0.06728%0.275CS..EExtended strand (participates in β ladder)trans-79.8135.1171.9-60-148.9000109.5E11 V235 E241E11-I312 HydrophobicContact CB-CG1 4.38Å; E11-I312 CarbonylContact O-C 3.53Å; E11-I312 VanDerWaalsContact O-CA 3.26Å; E11-I312 WeakPolarHBondContact O-CA 3.34Å; V235-I312 HydrophobicContact CG2-CD1 4.41Å; V235-I312 HydrophobicContact CG2-CG1 3.6Å; E241-I312 HydrophobicContact CB-CB 4.08Å; E241-I312 HydrophobicContact CB-CD1 3.61Å; E241-I312 HydrophobicContact CB-CG1 3.68Å
313K96.3Very high92.7Very high17 Ų1753.7 Ų53.77%0.07428%0.276CS..EExtended strand (participates in β ladder)trans-119.5155.1168.3-80.2-163.5170.3-167.80111.4F10 E11 W12 S13 G136 D138 I144F10-K313 HydrophobicContact CB-CB 4.17Å; F10-K313 HydrophobicContact CB-CD 3.96Å; F10-K313 HydrophobicContact CB-CG 3.91Å; F10-K313 HydrophobicContact CD1-CD 4.37Å; F10-K313 HydrophobicContact CD1-CG 4.35Å; F10-K313 HydrophobicContact CD2-CD 3.68Å; F10-K313 HydrophobicContact CD2-CG 4.43Å; F10-K313 HydrophobicContact CE2-CD 4.27Å; F10-K313 HydrophobicContact CG-CD 3.73Å; F10-K313 HydrophobicContact CG-CG 3.98Å; E11-K313 PolarHBondContact O-N 3.25Å; W12-K313 CarbonylContact C-O 3.09Å; W12-K313 WeakPolarHBondContact CA-O 3.38Å; W12-K313 HydrophobicContact CD2-CB 4.15Å; W12-K313 HydrophobicContact CE3-CB 3.91Å; W12-K313 HydrophobicContact CH2-CB 4.25Å; W12-K313 HydrophobicContact CH2-CD 4.15Å; W12-K313 HydrophobicContact CZ2-CB 4.45Å; W12-K313 HydrophobicContact CZ2-CD 4.2Å; W12-K313 HydrophobicContact CZ3-CB 3.98Å; S13-K313 PolarHBondContact N-O 2.84Å; G136-K313 CarbonylContact O-C 3.38Å; G136-K313 VanDerWaalsContact O-CA 3.22Å; G136-K313 WeakPolarHBondContact O-CA 3.17Å; D138-K313 WeakPolarHBondContact OD1-CE 3.37Å; D138-K313 IonicContact OD1-NZ 3.77Å; D138-K313 PolarHBondContact OD1-NZ 2.81Å; I144-K313 HydrophobicContact CD1-CG 3.96Å; I144-K313 HydrophobicContact CG2-CG 4.33Å
314R94.8Very high92.6Very high13 Ų1353 Ų535%0.04927%0.273CS..BIsolated β-bridgetrans-136.3151.3175.1-63.9175.4174.376.710108.8S15 E16 M135 G136 E137 D138 E241 F316S15-R314 WeakPolarHBondContact O-CD 3.33Å; S15-R314 PolarHBondContact O-NE 3.49Å; E16-R314 PolarHBondContact O-NH2 2.92Å; M135-R314 PolarHBondContact O-NH1 2.72Å; M135-R314 VanDerWaalsContact O-NH1 3.09Å; G136-R314 PolarHBondContact O-N 3.4Å; E137-R314 HydrophobicContact CG-CB 4.48Å; D138-R314 PolarHBondContact N-O 3.46Å; E241-R314 IonicContact OE1-CZ 2.61Å; E241-R314 IonicContact OE1-NH1 3.1Å; E241-R314 IonicContact OE1-NH2 2.69Å; E241-R314 PolarHBondContact OE1-NH2 2.88Å; E241-R314 IonicContact OE2-CZ 3.33Å; E241-R314 VanDerWaalsContact OE2-CZ 3.24Å; E241-R314 IonicContact OE2-NH1 3.74Å; E241-R314 PolarHBondContact OE2-NH1 2.72Å; E241-R314 IonicContact OE2-NH2 2.68Å; E241-R314 PolarHBondContact OE2-NH2 3.24Å; R314-F316 PolarHBondContact O-N 3.25Å
315D92.2Very high92.5Very high91 Ų9155.7 Ų55.749%0.48729%0.29SS..  trans-63.9133.5167.5-70.7-38.1000110H317D315-H317 PolarHBondContact O-CE1 3.21Å; D315-H317 PolarHBondContact O-ND1 2.98Å
316F80.5Confident92.6Very high77 Ų7755 Ų5534%0.33829%0.287SS..  trans-83.6136177.468.4-87.9000110.3E137 D138 L140 R314 R318E137-F316 HydrophobicContact CB-CB 4.07Å; E137-F316 WeakPolarHBondContact OE2-CA 3.2Å; D138-F316 HydrophobicContact CB-CD1 4.17Å; D138-F316 WeakPolarHBondContact O-CB 3.22Å; D138-F316 WeakPolarHBondContact O-CD1 3.26Å; D138-F316 WeakPolarHBondContact O-CG 3.3Å; L140-F316 HydrophobicContact CD1-CB 4.03Å; L140-F316 HydrophobicContact CG-CB 4.41Å; R314-F316 PolarHBondContact O-N 3.25Å; F316-R318 WeakPolarHBondContact CD2-O 3.37Å
317H78.3Confident92.5Very high166 Ų16657.1 Ų57.177%0.76930%0.301SS*.  trans-105.94.3-174.4-65.176000113E137 D315E137-H317 PolarHBondContact OE2-N 3.38Å; D315-H317 PolarHBondContact O-CE1 3.21Å; D315-H317 PolarHBondContact O-ND1 2.98Å
318R83.3Confident92.4Very high131 Ų13158.9 Ų58.949%0.49431%0.31SS..SBendtrans-125.2140.3-174.7-67178.7178.5-96.8-5.6111.3L140 F316L140-R318 HydrophobicContact CD1-CB 4.43Å; F316-R318 WeakPolarHBondContact CD2-O 3.37Å
319P88.8Confident92.2Very high119 Ų11961 Ų6177%0.77332%0.323SS*.  trans-62.1148.4173.328.2-34.4000110.7D321P319-D321 PolarHBondContact O-N 3.49Å
320L91.6Very high92Very high48 Ų4863.5 Ų63.525%0.25135%0.346SS..  trans-67.3129173.6-62.4-178000110R139 L140 Y178R139-L320 HydrophobicContact CB-CD2 4.22Å; L140-L320 HydrophobicContact CD2-CD2 3.64Å; L140-L320 HydrophobicContact CG-CD2 4.18Å; Y178-L320 HydrophobicContact CD1-CD2 4.39Å; Y178-L320 HydrophobicContact CD2-CB 4.29Å; Y178-L320 HydrophobicContact CD2-CD1 4.21Å; Y178-L320 HydrophobicContact CD2-CD2 4.04Å; Y178-L320 HydrophobicContact CD2-CG 4.4Å; Y178-L320 HydrophobicContact CE1-CD2 4.21Å; Y178-L320 HydrophobicContact CE2-CB 3.66Å; Y178-L320 HydrophobicContact CE2-CD1 4.41Å; Y178-L320 HydrophobicContact CE2-CD2 3.86Å; Y178-L320 HydrophobicContact CE2-CG 4.17Å; Y178-L320 HydrophobicContact CG-CD2 4.3Å
321D92.8Very high91.8Very high90 Ų9069 Ų6948%0.48137%0.367SS..  trans-107.5101172.8-178.78.3000110Y178 K180 P319 S323Y178-D321 VanDerWaalsContact OH-C 3.32Å; Y178-D321 WeakPolarHBondContact OH-CA 3.5Å; Y178-D321 PolarHBondContact OH-N 3.3Å; Y178-D321 PolarHBondContact OH-O 2.78Å; K180-D321 WeakPolarHBondContact CE-O 3.31Å; P319-D321 PolarHBondContact O-N 3.49Å; D321-S323 PolarHBondContact O-N 3.48Å; D321-S323 VanDerWaalsContact OD1-CB 3.25Å; D321-S323 WeakPolarHBondContact OD1-CB 3.42Å; D321-S323 PolarHBondContact OD1-N 3.34Å; D321-S323 PolarHBondContact OD1-OG 2.95Å; D321-S323 PolarHBondContact OD2-OG 2.78Å
322H94.2Very high91.6Very high97 Ų9771.1 Ų71.145%0.44938%0.379SS..  trans-78.4-8.8179.7-64.2-84.8000113.2Y178 R179 A181Y178-H322 AromaticContact CD2-CE1 3.79Å; Y178-H322 AromaticContact CD2-ND1 3.99Å; Y178-H322 AromaticContact CE2-CE1 3.92Å; Y178-H322 AromaticContact CE2-ND1 3.95Å; R179-H322 PolarHBondContact O-ND1 3.23Å; A181-H322 WeakPolarHBondContact CB-O 2.87Å; A181-H322 PolarHBondContact N-O 3.16Å
323S94.6Very high91.4Very high72 Ų7272.7 Ų72.750%0.50339%0.394SS..  trans-74.7160179.9790000111.5D321D321-S323 PolarHBondContact O-N 3.48Å; D321-S323 VanDerWaalsContact OD1-CB 3.25Å; D321-S323 WeakPolarHBondContact OD1-CB 3.42Å; D321-S323 PolarHBondContact OD1-N 3.34Å; D321-S323 PolarHBondContact OD1-OG 2.95Å; D321-S323 PolarHBondContact OD2-OG 2.78Å
324V93.1Very high91.2Very high22 Ų2280.3 Ų80.313%0.13343%0.427CS..  trans-138.5144.4173.4-60.40000109.5K126 K180 A181K126-V324 HydrophobicContact CD-CG1 3.59Å; K180-V324 HydrophobicContact CB-CG1 3.92Å; K180-V324 HydrophobicContact CD-CG1 4.42Å; A181-V324 HydrophobicContact CB-CG1 4.42Å; A181-V324 HydrophobicContact CB-CG2 3.91Å; A181-V324 WeakPolarHBondContact O-CG1 3.49Å
325P93Very high91Very high102 Ų10282.5 Ų82.566%0.66244%0.442SS*.  trans-65.8154.8170.429.1-34.4000110.4P327P325-P327 WeakPolarHBondContact O-CD 3.44Å
326N95.8Very high90.9Very high74 Ų7482.8 Ų82.840%0.39644%0.439SS..  trans-115.581.2172.2-72.6-64.4000109.6S183 D184 L328 V329 A330S183-N326 WeakPolarHBondContact CA-OD1 3.32Å; D184-N326 HydrophobicContact CB-CB 4.33Å; D184-N326 VanDerWaalsContact CG-CA 3.5Å; D184-N326 PolarHBondContact N-OD1 2.58Å; D184-N326 WeakPolarHBondContact OD1-CA 3.43Å; D184-N326 VanDerWaalsContact OD2-CA 3.28Å; D184-N326 WeakPolarHBondContact OD2-CA 3.34Å; D184-N326 WeakPolarHBondContact OD2-CB 3.49Å; N326-L328 VanDerWaalsContact C-N 3.34Å; N326-L328 PolarHBondContact O-N 3.23Å; N326-V329 HydrophobicContact CB-CB 4.13Å; N326-V329 HydrophobicContact CB-CG2 4.36Å; N326-V329 PolarHBondContact O-N 3.11Å; N326-A330 WeakPolarHBondContact O-CB 3.36Å; N326-A330 PolarHBondContact O-N 3.25Å
327P93.5Very high91Very high50 Ų5083.9 Ų83.933%0.32545%0.454SS..Hα-helixtrans-69.5-27.6-169.2-20.935.3000114.1L103 D184 L185 P325 Y331L103-P327 HydrophobicContact CD2-CB 4.05Å; D184-P327 WeakPolarHBondContact OD1-CD 3.45Å; L185-P327 HydrophobicContact CD1-CB 4.22Å; L185-P327 HydrophobicContact CD1-CG 4.14Å; P325-P327 WeakPolarHBondContact O-CD 3.44Å; P327-Y331 VanDerWaalsContact O-CB 3.25Å; P327-Y331 WeakPolarHBondContact O-CB 3.28Å; P327-Y331 PolarHBondContact O-N 2.92Å
328L94.1Very high91.1Very high37 Ų3782 Ų8219%0.19445%0.454CS..Hα-helixtrans-72.4-45.5177.817962000110.3D184 L185 V188 N326 A330 Y331 L332D184-L328 HydrophobicContact CB-CB 4.35Å; D184-L328 VanDerWaalsContact OD2-CA 3.3Å; D184-L328 WeakPolarHBondContact OD2-CA 3.47Å; D184-L328 VanDerWaalsContact OD2-CB 3.24Å; D184-L328 WeakPolarHBondContact OD2-CB 3.45Å; D184-L328 PolarHBondContact OD2-N 3.25Å; L185-L328 HydrophobicContact CD2-CB 3.86Å; L185-L328 HydrophobicContact CD2-CD2 4.39Å; L185-L328 HydrophobicContact CG-CB 4.36Å; V188-L328 HydrophobicContact CG2-CD2 3.77Å; N326-L328 VanDerWaalsContact C-N 3.34Å; N326-L328 PolarHBondContact O-N 3.23Å; L328-A330 VanDerWaalsContact C-N 3.33Å; L328-A330 PolarHBondContact O-N 3.06Å; L328-Y331 PolarHBondContact O-N 3.25Å; L328-L332 HydrophobicContact CD1-CD1 4.31Å; L328-L332 HydrophobicContact CD1-CG 4.26Å; L328-L332 HydrophobicContact CG-CD1 4.13Å; L328-L332 HydrophobicContact CG-CG 4.49Å; L328-L332 WeakPolarHBondContact O-CB 3.41Å; L328-L332 VanDerWaalsContact O-CG 3.29Å; L328-L332 WeakPolarHBondContact O-CG 3.41Å; L328-L332 PolarHBondContact O-N 3.08Å
329V93.3Very high90.5Very high45 Ų4580.5 Ų80.527%0.27346%0.455SS..Hα-helixtrans-58.1-47.3173.8169.10000110.4D184 N326 Y331 L332 A333 V341D184-V329 HydrophobicContact CB-CG2 4.23Å; D184-V329 PolarHBondContact OD2-N 3.4Å; N326-V329 HydrophobicContact CB-CB 4.13Å; N326-V329 HydrophobicContact CB-CG2 4.36Å; N326-V329 PolarHBondContact O-N 3.11Å; V329-Y331 VanDerWaalsContact C-N 3.34Å; V329-Y331 PolarHBondContact O-N 3.26Å; V329-L332 PolarHBondContact O-N 3.05Å; V329-A333 WeakPolarHBondContact O-CB 3.4Å; V329-A333 PolarHBondContact O-N 3.23Å; V329-V341 HydrophobicContact CG1-CG1 3.8Å
330A92.2Very high89.3Confident63 Ų6383.7 Ų83.752%0.52146%0.46SS..Hα-helixtrans-61.7-40.2177.400000112.7N326 L328 K334N326-A330 WeakPolarHBondContact O-CB 3.36Å; N326-A330 PolarHBondContact O-N 3.25Å; L328-A330 VanDerWaalsContact C-N 3.33Å; L328-A330 PolarHBondContact O-N 3.06Å; A330-K334 WeakPolarHBondContact O-CB 3.43Å; A330-K334 PolarHBondContact O-N 3.15Å; A330-K334 VanDerWaalsContact O-N 3.14Å
331Y92.4Very high87.8Confident115 Ų11583.7 Ų83.745%0.45146%0.461SS..Hα-helixtrans-64.5-47.3175.1175-95.2000111.8L103 P327 L328 V329 A333 K334 T335L103-Y331 HydrophobicContact CD1-CD1 4.15Å; L103-Y331 HydrophobicContact CD1-CD2 3.62Å; L103-Y331 HydrophobicContact CD1-CE2 4.29Å; L103-Y331 HydrophobicContact CD1-CG 3.55Å; P327-Y331 VanDerWaalsContact O-CB 3.25Å; P327-Y331 WeakPolarHBondContact O-CB 3.28Å; P327-Y331 PolarHBondContact O-N 2.92Å; L328-Y331 PolarHBondContact O-N 3.25Å; V329-Y331 VanDerWaalsContact C-N 3.34Å; V329-Y331 PolarHBondContact O-N 3.26Å; Y331-A333 PolarHBondContact O-N 3.11Å; Y331-K334 PolarHBondContact O-N 3.08Å; Y331-T335 WeakPolarHBondContact O-CB 3.46Å; Y331-T335 PolarHBondContact O-N 2.94Å; Y331-T335 PolarHBondContact O-OG1 3.47Å; Y331-T335 VanDerWaalsContact O-OG1 3.13Å
332L93Very high86.1Confident52 Ų5288.9 Ų88.927%0.27248%0.48SS..Hα-helixtrans-62.5-43.3179.4-70173.6000111.8L328 V329 K334 T335 F336 V341L328-L332 HydrophobicContact CD1-CD1 4.31Å; L328-L332 HydrophobicContact CD1-CG 4.26Å; L328-L332 HydrophobicContact CG-CD1 4.13Å; L328-L332 HydrophobicContact CG-CG 4.49Å; L328-L332 WeakPolarHBondContact O-CB 3.41Å; L328-L332 VanDerWaalsContact O-CG 3.29Å; L328-L332 WeakPolarHBondContact O-CG 3.41Å; L328-L332 PolarHBondContact O-N 3.08Å; V329-L332 PolarHBondContact O-N 3.05Å; L332-K334 VanDerWaalsContact C-N 3.28Å; L332-K334 PolarHBondContact O-N 3.21Å; L332-T335 PolarHBondContact O-N 3.16Å; L332-F336 HydrophobicContact CD2-CD2 3.99Å; L332-F336 HydrophobicContact CD2-CE2 4.07Å; L332-F336 WeakPolarHBondContact O-CA 3.2Å; L332-F336 PolarHBondContact O-N 2.99Å; L332-V341 HydrophobicContact CB-CG2 4.49Å
333A92.5Very high84.1Confident45 Ų4586 Ų8637%0.37248%0.476SS..Hα-helixtrans-61.7-36.4176.100000112.3V329 Y331V329-A333 WeakPolarHBondContact O-CB 3.4Å; V329-A333 PolarHBondContact O-N 3.23Å; Y331-A333 PolarHBondContact O-N 3.11Å
334K91.1Very high82Confident178 Ų17889.9 Ų89.977%0.77449%0.491SS*.Hα-helixtrans-74.3-41.1176.9-176.7178.5177.7179.10112.9A330 Y331 L332A330-K334 WeakPolarHBondContact O-CB 3.43Å; A330-K334 PolarHBondContact O-N 3.15Å; A330-K334 VanDerWaalsContact O-N 3.14Å; Y331-K334 PolarHBondContact O-N 3.08Å; L332-K334 VanDerWaalsContact C-N 3.28Å; L332-K334 PolarHBondContact O-N 3.21Å
335T91.2Very high79.4Confident59 Ų5998.3 Ų98.336%0.36253%0.529SS..Hα-helixtrans-83.1-30.8-174.7-60.80000112.4Y331 L332Y331-T335 WeakPolarHBondContact O-CB 3.46Å; Y331-T335 PolarHBondContact O-N 2.94Å; Y331-T335 PolarHBondContact O-OG1 3.47Å; Y331-T335 VanDerWaalsContact O-OG1 3.13Å; L332-T335 PolarHBondContact O-N 3.16Å
336F90.1Very high76.7Confident97 Ų97101.4 Ų101.443%0.42555%0.553SS.*  trans-128.575179.4-53.9-75.1000110.3L332 T338 L339L332-F336 HydrophobicContact CD2-CD2 3.99Å; L332-F336 HydrophobicContact CD2-CE2 4.07Å; L332-F336 WeakPolarHBondContact O-CA 3.2Å; L332-F336 PolarHBondContact O-N 2.99Å; F336-T338 PolarHBondContact O-N 3.08Å; F336-T338 VanDerWaalsContact O-N 3.08Å; F336-L339 HydrophobicContact CB-CB 4.03Å; F336-L339 HydrophobicContact CB-CD1 3.92Å; F336-L339 HydrophobicContact CG-CD1 4.39Å; F336-L339 WeakPolarHBondContact O-CB 3.22Å; F336-L339 PolarHBondContact O-N 3.16Å
337P81.4Confident75.7Confident100 Ų100102.8 Ų102.865%0.64956%0.561SS**THydrogen-bonded Turntrans-61.3-23.3-176.4-22.233.3000113.9
338T82.2Confident74.8Confident127 Ų127105.6 Ų105.678%0.77957%0.573SS**THydrogen-bonded Turntrans-79.4-17.3176.954.30000113.2F336 H340F336-T338 PolarHBondContact O-N 3.08Å; F336-T338 VanDerWaalsContact O-N 3.08Å; T338-H340 PolarHBondContact O-N 3Å; T338-H340 VanDerWaalsContact O-N 3.16Å
339L68.8Low73.7Confident98 Ų98109.4 Ų109.451%0.51360%0.595SS.*SBendtrans-73104.7165-112.6103.2000106.4F336 V341F336-L339 HydrophobicContact CB-CB 4.03Å; F336-L339 HydrophobicContact CB-CD1 3.92Å; F336-L339 HydrophobicContact CG-CD1 4.39Å; F336-L339 WeakPolarHBondContact O-CB 3.22Å; F336-L339 PolarHBondContact O-N 3.16Å; L339-V341 HydrophobicContact CB-CG2 4.11Å; L339-V341 HydrophobicContact CD2-CG2 4.08Å; L339-V341 PolarHBondContact O-N 3.31Å
340H64.4Low72.6Confident187 Ų187113.2 Ų113.287%0.86661%0.614SS**  trans-65.976.4167.1-74.6-68.9000109.6T338 K342T338-H340 PolarHBondContact O-N 3Å; T338-H340 VanDerWaalsContact O-N 3.16Å; H340-K342 PolarHBondContact O-N 3.26Å
341V60.1Low71.4Confident47 Ų47116.3 Ų116.329%0.28562%0.619SS.*  trans-78.1107165-168.20000105.1V329 L332 L339 G343V329-V341 HydrophobicContact CG1-CG1 3.8Å; L332-V341 HydrophobicContact CB-CG2 4.49Å; L339-V341 HydrophobicContact CB-CG2 4.11Å; L339-V341 HydrophobicContact CD2-CG2 4.08Å; L339-V341 PolarHBondContact O-N 3.31Å; V341-G343 VanDerWaalsContact C-N 3.29Å; V341-G343 PolarHBondContact O-N 2.72Å
342K57Low70Confident200 Ų200116.4 Ų116.487%0.8763%0.631SS**  trans-59.297.7169.8-77.7-174.7176.3-177.80107.5H340H340-K342 PolarHBondContact O-N 3.26Å
343G53.4Low68.3Low37 Ų37121 Ų12138%0.38166%0.656SS.*  trans-72.9126.3162.700000107.1V341 H345V341-G343 VanDerWaalsContact C-N 3.29Å; V341-G343 PolarHBondContact O-N 2.72Å; G343-H345 PolarHBondContact O-N 2.86Å
344D48.9Very low66.4Low153 Ų153126.8 Ų126.882%0.81868%0.678SS**  trans-59.2102.6168.8-84.7-29.4000108.1S346D344-S346 PolarHBondContact O-N 2.64Å
345H40.2Very low64.4Low198 Ų198122.6 Ų122.692%0.91767%0.67SS**  trans-82.678.1160.1-66.8-67.6000106.9G343G343-H345 PolarHBondContact O-N 2.86Å
346S35Very low62Low168 Ų168128.4 Ų128.4100%1.17570%0.698SS**  trans-142.10166.964.70000110.4D344D344-S346 PolarHBondContact O-N 2.64Å

Retrieved 346 of 346 residues in 507.9 ms (Link to these results)

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