A0A087Y6T9_POEFO Loading...

Cytochrome P450, family 7, subfamily A, polypeptide 1

AlphaFold DB , UniProt , Accession A0A087Y6T9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 476 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
1M56.8Low74.6Confident204 Ų204115.9 Ų115.9100%1.00563%0.63SS**  0-36.30-143166.877.500113.8
2M54.7Low75.7Confident167 Ų167111.5 Ų111.582%0.82361%0.61SS**Hα-helixtrans-70.4-32.3178.3-70.2-159.3-66.600115.2S4 I5 A6M2-S4 VanDerWaalsContact C-N 3.27Å; M2-S4 PolarHBondContact O-N 2.98Å; M2-I5 PolarHBondContact O-N 3.5Å; M2-A6 PolarHBondContact O-N 3.12Å
3I57Low76.5Confident138 Ų138109.2 Ų109.271%0.70860%0.601SS**Hα-helixtrans-63.2-33.9179.3-63.9172000111.5L7I3-L7 HydrophobicContact CG2-CD1 4.3Å; I3-L7 PolarHBondContact O-N 2.64Å
4S70Confident77.3Confident72 Ų72103.6 Ų103.650%0.50358%0.581SS.*Hα-helixtrans-70.3-35.5-179.7-53.40000112.9M2 I8M2-S4 VanDerWaalsContact C-N 3.27Å; M2-S4 PolarHBondContact O-N 2.98Å; S4-I8 WeakPolarHBondContact O-CB 3.45Å; S4-I8 VanDerWaalsContact O-CD1 3.32Å; S4-I8 WeakPolarHBondContact O-CD1 3.41Å; S4-I8 WeakPolarHBondContact O-CG1 3.34Å; S4-I8 PolarHBondContact O-N 3.18Å
5I74.4Confident77.9Confident94 Ų94105.3 Ų105.348%0.48258%0.58SS.*Hα-helixtrans-71-42.2179.5-65.7172.3000110.4M2 L7 I8 W9M2-I5 PolarHBondContact O-N 3.5Å; I5-L7 VanDerWaalsContact C-N 3.34Å; I5-L7 PolarHBondContact O-N 3.32Å; I5-I8 PolarHBondContact O-N 2.76Å; I5-W9 PolarHBondContact O-N 2.61Å
6A78.1Confident78.1Confident68 Ų68103.2 Ų103.256%0.56257%0.574SS**Hα-helixtrans-63.3-38.7176.400000112.5M2 W9 G10M2-A6 PolarHBondContact O-N 3.12Å; A6-W9 PolarHBondContact O-N 3.24Å; A6-G10 PolarHBondContact O-N 3.15Å
7L83.1Confident78.1Confident115 Ų115100.9 Ų100.960%0.60257%0.565SS**Hα-helixtrans-67.6-41.9176-120.3130.6000112.1I3 I5 G10 V11I3-L7 HydrophobicContact CG2-CD1 4.3Å; I3-L7 PolarHBondContact O-N 2.64Å; I5-L7 VanDerWaalsContact C-N 3.34Å; I5-L7 PolarHBondContact O-N 3.32Å; L7-G10 PolarHBondContact O-N 3.19Å; L7-V11 WeakPolarHBondContact O-CG2 3.31Å; L7-V11 PolarHBondContact O-N 2.86Å
8I84.8Confident78.2Confident107 Ų107101.6 Ų101.655%0.54957%0.567SS.*Hα-helixtrans-61.4-47.2174.8-69.5163.3000110.3S4 I5 G10 V11 V12S4-I8 WeakPolarHBondContact O-CB 3.45Å; S4-I8 VanDerWaalsContact O-CD1 3.32Å; S4-I8 WeakPolarHBondContact O-CD1 3.41Å; S4-I8 WeakPolarHBondContact O-CG1 3.34Å; S4-I8 PolarHBondContact O-N 3.18Å; I5-I8 PolarHBondContact O-N 2.76Å; I8-G10 VanDerWaalsContact C-N 3.33Å; I8-G10 PolarHBondContact O-N 2.81Å; I8-V11 PolarHBondContact O-N 2.95Å; I8-V12 HydrophobicContact CG2-CG2 4.35Å; I8-V12 WeakPolarHBondContact O-CB 3.31Å; I8-V12 VanDerWaalsContact O-CG2 3.26Å; I8-V12 WeakPolarHBondContact O-CG2 3.05Å; I8-V12 PolarHBondContact O-N 3.22Å
9W85.6Confident78.2Confident165 Ų165100 Ų10063%0.62556%0.557SS**Hα-helixtrans-63.6-37.7175.4-79.6112.3000112.5I5 A6 V12 V13I5-W9 PolarHBondContact O-N 2.61Å; A6-W9 PolarHBondContact O-N 3.24Å; W9-V12 HydrophobicContact CE3-CG1 4.47Å; W9-V12 PolarHBondContact O-N 3.13Å; W9-V13 VanDerWaalsContact O-CB 3.3Å; W9-V13 WeakPolarHBondContact O-CB 3.4Å; W9-V13 WeakPolarHBondContact O-CG2 3.24Å; W9-V13 PolarHBondContact O-N 2.94Å
10G87.9Confident77.8Confident46 Ų46101.9 Ų101.947%0.47456%0.555SS.*Hα-helixtrans-60.5-43.717400000112.7A6 L7 I8 G14A6-G10 PolarHBondContact O-N 3.15Å; L7-G10 PolarHBondContact O-N 3.19Å; I8-G10 VanDerWaalsContact C-N 3.33Å; I8-G10 PolarHBondContact O-N 2.81Å; G10-G14 PolarHBondContact O-N 2.98Å
11V88.3Confident77.4Confident99 Ų99100.4 Ų100.460%0.655%0.546SS*.Hα-helixtrans-68.2-42.7176.1173.40000111.4L7 I8 G14 F15L7-V11 WeakPolarHBondContact O-CG2 3.31Å; L7-V11 PolarHBondContact O-N 2.86Å; I8-V11 PolarHBondContact O-N 2.95Å; V11-G14 PolarHBondContact O-N 3.39Å; V11-F15 VanDerWaalsContact O-CB 3.32Å; V11-F15 WeakPolarHBondContact O-CB 3.33Å; V11-F15 PolarHBondContact O-N 3.5Å
12V87.8Confident78.1Confident63 Ų6394.1 Ų94.138%0.38253%0.527SS..Hα-helixtrans-63.7-46.7177.8169.70000110.9I8 W9 F15 C16I8-V12 HydrophobicContact CG2-CG2 4.35Å; I8-V12 WeakPolarHBondContact O-CB 3.31Å; I8-V12 VanDerWaalsContact O-CG2 3.26Å; I8-V12 WeakPolarHBondContact O-CG2 3.05Å; I8-V12 PolarHBondContact O-N 3.22Å; W9-V12 HydrophobicContact CE3-CG1 4.47Å; W9-V12 PolarHBondContact O-N 3.13Å; V12-F15 PolarHBondContact O-N 3.33Å; V12-C16 VanDerWaalsContact O-CB 3.32Å; V12-C16 WeakPolarHBondContact O-CB 3.46Å; V12-C16 PolarHBondContact O-N 3.49Å; V12-C16 PolarHBondContact O-SG 2.86Å
13V86.4Confident78.8Confident82 Ų8292.8 Ų92.850%0.49752%0.522SS..Hα-helixtrans-62-45.2175.6171.20000110.1W9 F15 C16 C17W9-V13 VanDerWaalsContact O-CB 3.3Å; W9-V13 WeakPolarHBondContact O-CB 3.4Å; W9-V13 WeakPolarHBondContact O-CG2 3.24Å; W9-V13 PolarHBondContact O-N 2.94Å; V13-F15 PolarHBondContact O-N 3.07Å; V13-C16 PolarHBondContact O-N 2.95Å; V13-C17 WeakPolarHBondContact O-CB 3.44Å; V13-C17 PolarHBondContact O-N 2.93Å; V13-C17 PolarHBondContact O-SG 3Å
14G86.8Confident79.4Confident31 Ų3187 Ų8732%0.3250%0.497SS..Hα-helixtrans-58.4-46.117600000113G10 V11 C17 L18G10-G14 PolarHBondContact O-N 2.98Å; V11-G14 PolarHBondContact O-N 3.39Å; G14-C17 PolarHBondContact O-N 2.86Å; G14-L18 WeakPolarHBondContact O-CB 3.34Å; G14-L18 VanDerWaalsContact O-CG 3.3Å; G14-L18 WeakPolarHBondContact O-CG 3.34Å; G14-L18 PolarHBondContact O-N 2.85Å
15F86.7Confident80Confident129 Ų12987.9 Ų87.957%0.56650%0.495SS*.Hα-helixtrans-66.6-42.7177.7-176-108.3000112.3V11 V12 V13 C17 L18 L19V11-F15 VanDerWaalsContact O-CB 3.32Å; V11-F15 WeakPolarHBondContact O-CB 3.33Å; V11-F15 PolarHBondContact O-N 3.5Å; V12-F15 PolarHBondContact O-N 3.33Å; V13-F15 PolarHBondContact O-N 3.07Å; F15-C17 VanDerWaalsContact C-N 3.35Å; F15-C17 PolarHBondContact O-N 3.4Å; F15-L18 PolarHBondContact O-N 2.9Å; F15-L19 HydrophobicContact CD1-CD1 3.65Å; F15-L19 HydrophobicContact CE1-CD1 3.15Å; F15-L19 HydrophobicContact CE1-CG 4.16Å; F15-L19 HydrophobicContact CE2-CD1 4.32Å; F15-L19 HydrophobicContact CG-CD1 4.43Å; F15-L19 HydrophobicContact CZ-CD1 3.54Å; F15-L19 HydrophobicContact CZ-CG 4.13Å; F15-L19 WeakPolarHBondContact O-CB 3.38Å; F15-L19 PolarHBondContact O-N 2.84Å
16C81.2Confident80.7Confident71 Ų7184.3 Ų84.348%0.4848%0.475SS..Hα-helixtrans-62.2-40.8174-74.10000111.8V12 V13 W20V12-C16 VanDerWaalsContact O-CB 3.32Å; V12-C16 WeakPolarHBondContact O-CB 3.46Å; V12-C16 PolarHBondContact O-N 3.49Å; V12-C16 PolarHBondContact O-SG 2.86Å; V13-C16 PolarHBondContact O-N 2.95Å; C16-W20 WeakPolarHBondContact O-CB 3.34Å; C16-W20 PolarHBondContact O-N 2.75Å
17C77.8Confident81.4Confident64 Ų6491.4 Ų91.443%0.43249%0.488SS..Hα-helixtrans-63.3-43.5173.9-73.90000111.5V13 G14 F15 W20 L21V13-C17 WeakPolarHBondContact O-CB 3.44Å; V13-C17 PolarHBondContact O-N 2.93Å; V13-C17 PolarHBondContact O-SG 3Å; G14-C17 PolarHBondContact O-N 2.86Å; F15-C17 VanDerWaalsContact C-N 3.35Å; F15-C17 PolarHBondContact O-N 3.4Å; C17-W20 PolarHBondContact O-N 2.84Å; C17-L21 WeakPolarHBondContact O-CB 3.41Å; C17-L21 WeakPolarHBondContact O-CD1 3.38Å; C17-L21 VanDerWaalsContact O-CG 3.25Å; C17-L21 WeakPolarHBondContact O-CG 3.3Å; C17-L21 PolarHBondContact O-N 2.81Å
18L80.3Confident81.9Confident114 Ų11492.6 Ų92.660%0.59748%0.484SS*.Hα-helixtrans-66.6-41.5177.4-73.7170.5000112.6G14 F15 L21 A22G14-L18 WeakPolarHBondContact O-CB 3.34Å; G14-L18 VanDerWaalsContact O-CG 3.3Å; G14-L18 WeakPolarHBondContact O-CG 3.34Å; G14-L18 PolarHBondContact O-N 2.85Å; F15-L18 PolarHBondContact O-N 2.9Å; L18-L21 HydrophobicContact CD2-CD1 4.43Å; L18-L21 WeakPolarHBondContact O-CB 3.19Å; L18-L21 PolarHBondContact O-N 2.69Å; L18-A22 VanDerWaalsContact O-CB 3.31Å; L18-A22 WeakPolarHBondContact O-CB 3.38Å; L18-A22 PolarHBondContact O-N 3.23Å
19L77.4Confident82.5Confident71 Ų7192 Ų9237%0.37248%0.479SS..Hα-helixtrans-63-43172.7-93.5166.1000111.4F15 L21 A22 L23F15-L19 HydrophobicContact CD1-CD1 3.65Å; F15-L19 HydrophobicContact CE1-CD1 3.15Å; F15-L19 HydrophobicContact CE1-CG 4.16Å; F15-L19 HydrophobicContact CE2-CD1 4.32Å; F15-L19 HydrophobicContact CG-CD1 4.43Å; F15-L19 HydrophobicContact CZ-CD1 3.54Å; F15-L19 HydrophobicContact CZ-CG 4.13Å; F15-L19 WeakPolarHBondContact O-CB 3.38Å; F15-L19 PolarHBondContact O-N 2.84Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L19-A22 PolarHBondContact O-N 3.45Å; L19-L23 HydrophobicContact CD2-CD1 3.96Å; L19-L23 HydrophobicContact CD2-CG 4.42Å; L19-L23 WeakPolarHBondContact O-CB 3.29Å; L19-L23 VanDerWaalsContact O-CG 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.29Å; L19-L23 PolarHBondContact O-N 3.17Å
20W70.4Confident83Confident137 Ų13788.2 Ų88.252%0.51948%0.483SS..Hα-helixtrans-65.9-37.4176.9-175.480.2000112.2C16 C17 G24 P41C16-W20 WeakPolarHBondContact O-CB 3.34Å; C16-W20 PolarHBondContact O-N 2.75Å; C17-W20 PolarHBondContact O-N 2.84Å; W20-G24 VanDerWaalsContact O-CA 3.28Å; W20-G24 WeakPolarHBondContact O-CA 3.45Å; W20-G24 PolarHBondContact O-N 3.3Å; W20-P41 HydrophobicContact CE3-CB 3.89Å; W20-P41 HydrophobicContact CE3-CG 3.97Å; W20-P41 HydrophobicContact CH2-CB 3.68Å; W20-P41 HydrophobicContact CH2-CG 4.17Å; W20-P41 HydrophobicContact CZ2-CB 4.33Å; W20-P41 HydrophobicContact CZ3-CB 3.43Å; W20-P41 VanDerWaalsContact CZ3-CB 3.43Å; W20-P41 HydrophobicContact CZ3-CG 3.48Å; W20-P41 VanDerWaalsContact CZ3-CG 3.48Å
21L70.7Confident83.3Confident72 Ų7287.9 Ų87.938%0.37748%0.48SS..Hα-helixtrans-62.7-47.2171.1-81.4157.8000111.5C17 L18 L19 I25 P41C17-L21 WeakPolarHBondContact O-CB 3.41Å; C17-L21 WeakPolarHBondContact O-CD1 3.38Å; C17-L21 VanDerWaalsContact O-CG 3.25Å; C17-L21 WeakPolarHBondContact O-CG 3.3Å; C17-L21 PolarHBondContact O-N 2.81Å; L18-L21 HydrophobicContact CD2-CD1 4.43Å; L18-L21 WeakPolarHBondContact O-CB 3.19Å; L18-L21 PolarHBondContact O-N 2.69Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L21-I25 WeakPolarHBondContact O-CD1 3.35Å; L21-I25 WeakPolarHBondContact O-CG1 3.35Å; L21-P41 HydrophobicContact CD2-CB 4.46Å; L21-P41 HydrophobicContact CD2-CG 3.18Å; L21-P41 HydrophobicContact CG-CG 4.01Å
22A70.5Confident83.8Confident72 Ų7283.2 Ų83.260%0.59545%0.451SS*.Hα-helixtrans-72.2-40.6-176.800000113.1L18 L19L18-A22 VanDerWaalsContact O-CB 3.31Å; L18-A22 WeakPolarHBondContact O-CB 3.38Å; L18-A22 PolarHBondContact O-N 3.23Å; L19-A22 PolarHBondContact O-N 3.45Å
23L69.1Low84.2Confident139 Ų13980.2 Ų80.273%0.72843%0.433SS*.Hα-helixtrans-82.5-22.8179-64.6172.3000112.5L19 I25L19-L23 HydrophobicContact CD2-CD1 3.96Å; L19-L23 HydrophobicContact CD2-CG 4.42Å; L19-L23 WeakPolarHBondContact O-CB 3.29Å; L19-L23 VanDerWaalsContact O-CG 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.29Å; L19-L23 PolarHBondContact O-N 3.17Å; L23-I25 VanDerWaalsContact C-N 3.26Å; L23-I25 PolarHBondContact O-N 2.89Å
24G69.3Low84.7Confident17 Ų1778.3 Ų78.318%0.17542%0.422CS..SBendtrans-73.4-14.8-179.600000114.2W20 K71 Y76W20-G24 VanDerWaalsContact O-CA 3.28Å; W20-G24 WeakPolarHBondContact O-CA 3.45Å; W20-G24 PolarHBondContact O-N 3.3Å; G24-K71 PolarHBondContact O-NZ 3.16Å; G24-Y76 PolarHBondContact O-OH 3.36Å
25I82.7Confident85.2Confident89 Ų8978 Ų7846%0.45641%0.412SS..SBendtrans-93.6118.3-177.9-65171000109.5L21 L23 N37L21-I25 WeakPolarHBondContact O-CD1 3.35Å; L21-I25 WeakPolarHBondContact O-CG1 3.35Å; L23-I25 VanDerWaalsContact C-N 3.26Å; L23-I25 PolarHBondContact O-N 2.89Å; I25-N37 HydrophobicContact CG2-CB 4.27Å; I25-N37 WeakPolarHBondContact CG2-ND2 3.4Å
26R89.9Confident85.6Confident20 Ų2073.3 Ų73.38%0.07539%0.392CS..PPolyproline II helixtrans-78.8129172.9176.2176.5173.1172.9-5.4109.9E32 I35 N37 Y76 D356R26-E32 IonicContact CZ-OE1 2.65Å; R26-E32 IonicContact NE-OE1 3.2Å; R26-E32 IonicContact NH2-OE1 3.67Å; R26-E32 PolarHBondContact NH2-OE1 3.22Å; R26-I35 HydrophobicContact CG-CD1 3.89Å; R26-N37 PolarHBondContact N-OD1 3.41Å; R26-N37 PolarHBondContact O-ND2 3.1Å; R26-Y76 HydrophobicContact CB-CD1 4.41Å; R26-Y76 HydrophobicContact CB-CE1 3.53Å; R26-Y76 HydrophobicContact CB-CE2 3.94Å; R26-Y76 WeakPolarHBondContact CB-OH 3.22Å; R26-Y76 HydrophobicContact CG-CE1 4.32Å; R26-Y76 PolarHBondContact N-OH 2.84Å; R26-Y76 VanDerWaalsContact N-OH 3.15Å; R26-D356 IonicContact CZ-OD1 3.95Å; R26-D356 IonicContact CZ-OD2 3.32Å; R26-D356 VanDerWaalsContact CZ-OD2 3.27Å; R26-D356 IonicContact NH1-OD1 2.68Å; R26-D356 PolarHBondContact NH1-OD1 2.69Å; R26-D356 IonicContact NH1-OD2 3.52Å; R26-D356 PolarHBondContact NH1-OD2 2.99Å; R26-D356 IonicContact NH2-OD1 3.88Å; R26-D356 IonicContact NH2-OD2 3.68Å; R26-D356 PolarHBondContact NH2-OD2 2.87Å
27R91.7Very high86Confident217 Ų21771.2 Ų71.282%0.81938%0.376SS*.PPolyproline II helixtrans-85.8136.7168.9-62.7-175.5-177.3-174.70.3110.3R353R27-R353 PolarHBondContact O-NH2 3Å
28R95.3Very high86.5Confident140 Ų14069.4 Ų69.453%0.52837%0.369SS..PPolyproline II helixtrans-66.6132173.1-175.8-173.2178.8-159.1-1.6109.8E32 P33 I35R28-E32 HydrophobicContact CG-CB 4.09Å; R28-E32 VanDerWaalsContact CZ-O 3.28Å; R28-E32 PolarHBondContact NE-O 2.93Å; R28-E32 PolarHBondContact NH2-O 3.09Å; R28-P33 WeakPolarHBondContact CD-O 3.25Å; R28-P33 PolarHBondContact NE-O 3.04Å; R28-I35 HydrophobicContact CB-CD1 3.97Å; R28-I35 HydrophobicContact CB-CG1 4.09Å; R28-I35 HydrophobicContact CG-CD1 4.47Å; R28-I35 HydrophobicContact CG-CG1 4.36Å
29Q95.9Very high86.4Confident94 Ų9473 Ų7344%0.43938%0.379SS..PPolyproline II helixtrans-98.4162.8171.2-66.81760.800110.8G31 E32Q29-G31 PolarHBondContact O-N 3.33Å; Q29-E32 HydrophobicContact CB-CG 4.08Å; Q29-E32 PolarHBondContact N-OE2 3.35Å; Q29-E32 WeakPolarHBondContact O-CB 3.17Å; Q29-E32 PolarHBondContact O-N 3.44Å; Q29-E32 VanDerWaalsContact O-N 3.1Å
30A95.8Very high86.4Confident85 Ų8573.2 Ų73.270%0.70238%0.38SS*.THydrogen-bonded Turntrans-57.4129176.800000111R351A30-R351 VanDerWaalsContact O-CD 3.29Å; A30-R351 WeakPolarHBondContact O-CD 3.11Å
31G95.5Very high86.6Confident40 Ų4067.6 Ų67.641%0.41236%0.362SS..THydrogen-bonded Turntrans84.8-3.9-17800000115.3Q29 Y350 R351Q29-G31 PolarHBondContact O-N 3.33Å; G31-Y350 CarbonylContact O-C 3.56Å; G31-Y350 WeakPolarHBondContact O-CA 3.41Å; G31-R351 PolarHBondContact O-N 2.94Å
32E97.7Very high86.8Confident1 Ų170.5 Ų70.51%0.00537%0.368CS..SBendtrans-81.7155.4172.8-62.9-169.4127.100111.8R26 R28 Q29 R351 R353R26-E32 IonicContact CZ-OE1 2.65Å; R26-E32 IonicContact NE-OE1 3.2Å; R26-E32 IonicContact NH2-OE1 3.67Å; R26-E32 PolarHBondContact NH2-OE1 3.22Å; R28-E32 HydrophobicContact CG-CB 4.09Å; R28-E32 VanDerWaalsContact CZ-O 3.28Å; R28-E32 PolarHBondContact NE-O 2.93Å; R28-E32 PolarHBondContact NH2-O 3.09Å; Q29-E32 HydrophobicContact CB-CG 4.08Å; Q29-E32 PolarHBondContact N-OE2 3.35Å; Q29-E32 WeakPolarHBondContact O-CB 3.17Å; Q29-E32 PolarHBondContact O-N 3.44Å; Q29-E32 VanDerWaalsContact O-N 3.1Å; E32-R351 HydrophobicContact CG-CB 4.2Å; E32-R353 VanDerWaalsContact CD-NH2 3.3Å; E32-R353 WeakPolarHBondContact OE1-CG 3.22Å; E32-R353 IonicContact OE1-CZ 2.79Å; E32-R353 VanDerWaalsContact OE1-CZ 3.26Å; E32-R353 IonicContact OE1-NE 2.63Å; E32-R353 PolarHBondContact OE1-NE 3.5Å; E32-R353 IonicContact OE1-NH2 2.99Å; E32-R353 PolarHBondContact OE1-NH2 2.93Å; E32-R353 VanDerWaalsContact OE1-NH2 3.11Å; E32-R353 IonicContact OE2-CZ 3.8Å; E32-R353 IonicContact OE2-NE 3.27Å; E32-R353 IonicContact OE2-NH2 3.99Å; E32-R353 PolarHBondContact OE2-NH2 2.89Å
33P97.4Very high87Confident0 Ų070 Ų700%036%0.356CS..PPolyproline II helixtrans-57.8163.3167.7-20.132.4000112.2R28 I35 I67 Y350 I352R28-P33 WeakPolarHBondContact CD-O 3.25Å; R28-P33 PolarHBondContact NE-O 3.04Å; P33-I35 PolarHBondContact O-N 3.47Å; P33-I67 HydrophobicContact CB-CG1 4.28Å; P33-I67 HydrophobicContact CB-CG2 4.44Å; P33-I67 HydrophobicContact CG-CD1 4.11Å; P33-I67 HydrophobicContact CG-CG1 4.04Å; P33-I67 HydrophobicContact CG-CG2 4.43Å; P33-Y350 HydrophobicContact CB-CD1 4.2Å; P33-Y350 HydrophobicContact CG-CD1 3.77Å; P33-Y350 HydrophobicContact CG-CG 4.13Å; P33-I352 HydrophobicContact CG-CD1 4.34Å
34V97.3Very high87.8Confident42 Ų4263.6 Ų63.626%0.25532%0.323SS..EExtended strand (participates in β ladder)trans-63.4134.3173.6179.80000109.5Y64 T69V34-Y64 HydrophobicContact CB-CD1 4.02Å; V34-Y64 HydrophobicContact CB-CG 4.08Å; V34-Y64 HydrophobicContact CG1-CD1 3.57Å; V34-Y64 HydrophobicContact CG1-CD2 4.45Å; V34-Y64 HydrophobicContact CG1-CE1 3.65Å; V34-Y64 HydrophobicContact CG1-CG 4Å; V34-Y64 HydrophobicContact CG2-CD1 4.28Å; V34-T69 PolarHBondContact O-N 3.35Å
35I96.3Very high88.7Confident24 Ų2462.8 Ų62.812%0.12331%0.314CS..EExtended strand (participates in β ladder)trans-108123.4-176.3-52.7-176.8000110.7R26 R28 P33 T69 Y76R26-I35 HydrophobicContact CG-CD1 3.89Å; R28-I35 HydrophobicContact CB-CD1 3.97Å; R28-I35 HydrophobicContact CB-CG1 4.09Å; R28-I35 HydrophobicContact CG-CD1 4.47Å; R28-I35 HydrophobicContact CG-CG1 4.36Å; P33-I35 PolarHBondContact O-N 3.47Å; I35-T69 CarbonylContact C-O 3.56Å; I35-T69 WeakPolarHBondContact CA-O 3.28Å; I35-Y76 HydrophobicContact CG2-CD1 4.36Å; I35-Y76 HydrophobicContact CG2-CE1 4.24Å
36E94.8Very high88.8Confident31 Ų3159.6 Ų59.615%0.14530%0.301CS..EExtended strand (participates in β ladder)trans-106.1103.4169.6-164.5175.9163.800109.7G38 R60 Y64 T69 C70 K71E36-G38 VanDerWaalsContact C-N 3.33Å; E36-R60 IonicContact OE1-CZ 3.56Å; E36-R60 IonicContact OE1-NE 3.26Å; E36-R60 PolarHBondContact OE1-NE 3.13Å; E36-R60 IonicContact OE1-NH2 3.45Å; E36-R60 PolarHBondContact OE1-NH2 3.01Å; E36-R60 WeakPolarHBondContact OE2-CG 3.47Å; E36-R60 IonicContact OE2-CZ 2.74Å; E36-R60 IonicContact OE2-NE 2.73Å; E36-R60 PolarHBondContact OE2-NE 3.47Å; E36-R60 IonicContact OE2-NH2 3.34Å; E36-Y64 HydrophobicContact CB-CE2 4.5Å; E36-Y64 WeakPolarHBondContact OE2-CE2 3.42Å; E36-T69 PolarHBondContact N-O 3.35Å; E36-C70 WeakPolarHBondContact O-CA 3.34Å; E36-K71 PolarHBondContact O-N 3.34Å
37N90.6Very high88.4Confident26 Ų2663.8 Ų63.814%0.13933%0.325CS..  trans-76.7-19.3-179.1-73.7-78.9000113.2I25 R26 G44 Y76I25-N37 HydrophobicContact CG2-CB 4.27Å; I25-N37 WeakPolarHBondContact CG2-ND2 3.4Å; R26-N37 PolarHBondContact N-OD1 3.41Å; R26-N37 PolarHBondContact O-ND2 3.1Å; N37-G44 WeakPolarHBondContact O-CA 3.38Å; N37-Y76 WeakPolarHBondContact OD1-CE1 3.21Å; N37-Y76 PolarHBondContact OD1-OH 2.92Å
38G87.6Confident88.3Confident27 Ų2756.8 Ų56.828%0.27830%0.301SS..  trans72.2174-171.400000113.7E36E36-G38 VanDerWaalsContact C-N 3.33Å
39F79Confident87.9Confident188 Ų18851.1 Ų51.183%0.82528%0.28SS*.SBendtrans-84.1-29-175.8-64.2-75.4000113.6
40I77.8Confident87.2Confident76 Ų7648.4 Ų48.439%0.3928%0.278SS..BIsolated β-bridgetrans-99.8121.7-179-58.4173.7000108.1Y42 L43 G44 L47I40-Y42 PolarHBondContact O-N 3.36Å; I40-L43 HydrophobicContact CB-CB 4.11Å; I40-L43 HydrophobicContact CD1-CD1 4.07Å; I40-L43 HydrophobicContact CG2-CB 3.95Å; I40-L43 HydrophobicContact CG2-CD1 4.11Å; I40-L43 HydrophobicContact CG2-CG 4.09Å; I40-L43 PolarHBondContact O-N 2.94Å; I40-G44 VanDerWaalsContact O-CA 3.26Å; I40-G44 WeakPolarHBondContact O-CA 3.49Å; I40-G44 PolarHBondContact O-N 2.93Å; I40-L47 HydrophobicContact CD1-CD1 3.94Å
41P73Confident86.6Confident20 Ų2047.9 Ų47.913%0.1327%0.274CS..THydrogen-bonded Turntrans-64.3-34.9-162.7-24.733.8000115.2W20 L21 K71W20-P41 HydrophobicContact CE3-CB 3.89Å; W20-P41 HydrophobicContact CE3-CG 3.97Å; W20-P41 HydrophobicContact CH2-CB 3.68Å; W20-P41 HydrophobicContact CH2-CG 4.17Å; W20-P41 HydrophobicContact CZ2-CB 4.33Å; W20-P41 HydrophobicContact CZ3-CB 3.43Å; W20-P41 VanDerWaalsContact CZ3-CB 3.43Å; W20-P41 HydrophobicContact CZ3-CG 3.48Å; W20-P41 VanDerWaalsContact CZ3-CG 3.48Å; L21-P41 HydrophobicContact CD2-CB 4.46Å; L21-P41 HydrophobicContact CD2-CG 3.18Å; L21-P41 HydrophobicContact CG-CG 4.01Å; P41-K71 WeakPolarHBondContact O-CD 3.25Å; P41-K71 WeakPolarHBondContact O-CE 3.33Å; P41-K71 PolarHBondContact O-NZ 2.74Å
42Y74.7Confident86.3Confident132 Ų13248.9 Ų48.952%0.51827%0.27SS..THydrogen-bonded Turntrans-84.7-50.9176.2-176-94.8000112.4I40 G44 A73 G74I40-Y42 PolarHBondContact O-N 3.36Å; Y42-G44 VanDerWaalsContact C-N 3.28Å; Y42-G44 PolarHBondContact O-N 3.14Å; Y42-A73 HydrophobicContact CE1-CB 4.46Å; Y42-A73 CarbonylContact O-C 3.24Å; Y42-A73 PolarHBondContact OH-O 2.92Å; Y42-G74 PolarHBondContact O-N 3.43Å
43L75.2Confident86.1Confident63 Ų6348.9 Ų48.933%0.3327%0.269SS..THydrogen-bonded Turntrans-66.1-33.8-176.6-65.9179.1000111.9I40 C45 A46 L47 A73I40-L43 HydrophobicContact CB-CB 4.11Å; I40-L43 HydrophobicContact CD1-CD1 4.07Å; I40-L43 HydrophobicContact CG2-CB 3.95Å; I40-L43 HydrophobicContact CG2-CD1 4.11Å; I40-L43 HydrophobicContact CG2-CG 4.09Å; I40-L43 PolarHBondContact O-N 2.94Å; L43-C45 PolarHBondContact O-N 3.47Å; L43-A46 HydrophobicContact CB-CB 4.31Å; L43-A46 WeakPolarHBondContact O-CB 3.21Å; L43-A46 PolarHBondContact O-N 3.46Å; L43-L47 HydrophobicContact CD1-CD1 4.49Å; L43-L47 HydrophobicContact CD1-CG 4.47Å; L43-A73 PolarHBondContact O-N 3.25Å; L43-A73 VanDerWaalsContact O-N 3.12Å
44G86.8Confident85.9Confident3 Ų349.9 Ų49.93%0.03128%0.275CS..BIsolated β-bridgetrans56.2-115.8-174.300000111.4N37 I40 Y42 K71N37-G44 WeakPolarHBondContact O-CA 3.38Å; I40-G44 VanDerWaalsContact O-CA 3.26Å; I40-G44 WeakPolarHBondContact O-CA 3.49Å; I40-G44 PolarHBondContact O-N 2.93Å; Y42-G44 VanDerWaalsContact C-N 3.28Å; Y42-G44 PolarHBondContact O-N 3.14Å; G44-K71 CarbonylContact C-O 3.57Å; G44-K71 WeakPolarHBondContact CA-O 3.49Å
45C88.4Confident85.8Confident0 Ų054 Ų540%029%0.291CS..THydrogen-bonded Turntrans-916.7178.8-56.60000113.5L43 L47 Q48 F49 F56 C70 K71 I72L43-C45 PolarHBondContact O-N 3.47Å; C45-L47 VanDerWaalsContact C-N 3.3Å; C45-L47 PolarHBondContact O-N 3.01Å; C45-Q48 VanDerWaalsContact C-OE1 3.28Å; C45-Q48 VanDerWaalsContact CA-OE1 3.27Å; C45-Q48 PolarHBondContact O-N 3.49Å; C45-Q48 PolarHBondContact O-OE1 2.88Å; C45-F49 WeakPolarHBondContact O-CB 3.06Å; C45-F49 PolarHBondContact O-N 3.29Å; C45-F56 HydrophobicContact CB-CE2 4.02Å; C45-F56 HydrophobicContact CB-CZ 3.73Å; C45-C70 HydrophobicContact CB-CB 4.37Å; C45-K71 PolarHBondContact N-O 3.44Å; C45-I72 HydrophobicContact CB-CG1 4.39Å
46A83.9Confident85.8Confident22 Ų2253.3 Ų53.318%0.18229%0.287CS..Hα-helixtrans-58.5-37.1-170.400000113.9L43 G50 I72L43-A46 HydrophobicContact CB-CB 4.31Å; L43-A46 WeakPolarHBondContact O-CB 3.21Å; L43-A46 PolarHBondContact O-N 3.46Å; A46-G50 PolarHBondContact O-N 3.44Å; A46-I72 HydrophobicContact CB-CG2 4.05Å
47L82.4Confident85.9Confident109 Ų10951.8 Ų51.857%0.57128%0.28SS*.Hα-helixtrans-69.9-44.8179-63.7177.6000111.5I40 L43 C45 G50 A51I40-L47 HydrophobicContact CD1-CD1 3.94Å; L43-L47 HydrophobicContact CD1-CD1 4.49Å; L43-L47 HydrophobicContact CD1-CG 4.47Å; C45-L47 VanDerWaalsContact C-N 3.3Å; C45-L47 PolarHBondContact O-N 3.01Å; L47-G50 PolarHBondContact O-N 2.81Å; L47-A51 WeakPolarHBondContact O-CB 3.36Å; L47-A51 PolarHBondContact O-N 3.3Å
48Q89Confident86.2Confident70 Ų7053.6 Ų53.633%0.32729%0.285SS..Hα-helixtrans-65.7-41.6177.3-60.588.3-1700111.4C45 F56C45-Q48 VanDerWaalsContact C-OE1 3.28Å; C45-Q48 VanDerWaalsContact CA-OE1 3.27Å; C45-Q48 PolarHBondContact O-N 3.49Å; C45-Q48 PolarHBondContact O-OE1 2.88Å; Q48-F56 HydrophobicContact CB-CD2 3.69Å; Q48-F56 HydrophobicContact CB-CE2 3.84Å
49F87.7Confident86.7Confident20 Ų2054.5 Ų54.59%0.08829%0.287CS..Hα-helixtrans-63.7-47176179.8-97.4000111.2C45 A51 N52 P53 F56 L57 I72 F79 L331C45-F49 WeakPolarHBondContact O-CB 3.06Å; C45-F49 PolarHBondContact O-N 3.29Å; F49-A51 VanDerWaalsContact C-N 3.33Å; F49-A51 PolarHBondContact O-N 2.9Å; F49-N52 CarbonylContact O-C 3.54Å; F49-P53 HydrophobicContact CD2-CB 4.19Å; F49-P53 HydrophobicContact CE1-CB 4.41Å; F49-P53 HydrophobicContact CE2-CB 3.83Å; F49-P53 HydrophobicContact CZ-CB 3.95Å; F49-P53 VanDerWaalsContact O-CA 3.24Å; F49-P53 WeakPolarHBondContact O-CA 3.49Å; F49-P53 WeakPolarHBondContact O-CB 3.3Å; F49-P53 WeakPolarHBondContact O-CD 3.28Å; F49-P53 WeakPolarHBondContact O-CG 3.37Å; F49-P53 VanDerWaalsContact O-N 3.09Å; F49-F56 HydrophobicContact CB-CD1 4.26Å; F49-F56 HydrophobicContact CB-CE1 4.34Å; F49-F56 AromaticContact CD2-CD1 3.71Å; F49-F56 HydrophobicContact CD2-CD1 3.71Å; F49-F56 HydrophobicContact CD2-CE1 4Å; F49-F56 HydrophobicContact CG-CD1 4.49Å; F49-L57 HydrophobicContact CE2-CD1 4.19Å; F49-L57 HydrophobicContact CE2-CD2 4.37Å; F49-L57 HydrophobicContact CE2-CG 4.29Å; F49-I72 HydrophobicContact CB-CD1 4.09Å; F49-I72 HydrophobicContact CD1-CD1 4.22Å; F49-I72 HydrophobicContact CD2-CD1 4.04Å; F49-I72 HydrophobicContact CG-CD1 3.84Å; F49-F79 HydrophobicContact CD2-CZ 4.1Å; F49-F79 AromaticContact CE2-CE1 3.89Å; F49-F79 HydrophobicContact CE2-CE1 3.89Å; F49-F79 AromaticContact CE2-CZ 3.6Å; F49-F79 HydrophobicContact CE2-CZ 3.6Å; F49-F79 HydrophobicContact CZ-CE1 4.33Å; F49-F79 HydrophobicContact CZ-CZ 4.13Å; F49-L331 HydrophobicContact CE1-CD1 4.37Å; F49-L331 HydrophobicContact CZ-CD1 4.13Å; F49-L331 HydrophobicContact CZ-CD2 4.33Å
50G79.9Confident87.5Confident37 Ų3747.9 Ų47.938%0.38126%0.257SS..Hα-helixtrans-67.5-28.6-178.600000114.4A46 L47A46-G50 PolarHBondContact O-N 3.44Å; L47-G50 PolarHBondContact O-N 2.81Å
51A83.9Confident88.4Confident75 Ų7546.1 Ų46.162%0.6225%0.247SC*.Hα-helixtrans-70.5-44.8-179.800000113.1L47 F49L47-A51 WeakPolarHBondContact O-CB 3.36Å; L47-A51 PolarHBondContact O-N 3.3Å; F49-A51 VanDerWaalsContact C-N 3.33Å; F49-A51 PolarHBondContact O-N 2.9Å
52N88.7Confident89.5Confident61 Ų6154.2 Ų54.233%0.32628%0.28SS..  trans-156.186.9175.3-171.7-27000109.9F49 L54 Q55 F56F49-N52 CarbonylContact O-C 3.54Å; N52-L54 VanDerWaalsContact C-N 3.33Å; N52-L54 PolarHBondContact O-N 3.44Å; N52-Q55 HydrophobicContact CB-CB 4.18Å; N52-Q55 VanDerWaalsContact CG-CB 3.46Å; N52-Q55 PolarHBondContact ND2-OE1 2.8Å; N52-Q55 PolarHBondContact O-N 3.48Å; N52-Q55 WeakPolarHBondContact OD1-CB 3.45Å; N52-Q55 PolarHBondContact OD1-N 3.08Å; N52-F56 VanDerWaalsContact O-CB 3.23Å; N52-F56 WeakPolarHBondContact O-CB 3.25Å; N52-F56 PolarHBondContact O-N 3.45Å
53P92.6Very high90.6Very high0 Ų054.2 Ų54.20%029%0.286CS..Hα-helixtrans-60.8-39.9-173.4-16.521.4000113F49 F56 L57 Y361 A455F49-P53 HydrophobicContact CD2-CB 4.19Å; F49-P53 HydrophobicContact CE1-CB 4.41Å; F49-P53 HydrophobicContact CE2-CB 3.83Å; F49-P53 HydrophobicContact CZ-CB 3.95Å; F49-P53 VanDerWaalsContact O-CA 3.24Å; F49-P53 WeakPolarHBondContact O-CA 3.49Å; F49-P53 WeakPolarHBondContact O-CB 3.3Å; F49-P53 WeakPolarHBondContact O-CD 3.28Å; F49-P53 WeakPolarHBondContact O-CG 3.37Å; F49-P53 VanDerWaalsContact O-N 3.09Å; P53-F56 PolarHBondContact O-N 3.3Å; P53-L57 WeakPolarHBondContact O-CB 3.42Å; P53-L57 VanDerWaalsContact O-CG 3.25Å; P53-L57 WeakPolarHBondContact O-CG 3.43Å; P53-L57 PolarHBondContact O-N 2.87Å; P53-Y361 HydrophobicContact CB-CE1 4.04Å; P53-Y361 HydrophobicContact CB-CE2 4.41Å; P53-A455 HydrophobicContact CG-CB 3.52Å
54L94.8Very high91.6Very high21 Ų2154.4 Ų54.411%0.1128%0.283CS..Hα-helixtrans-64.2-49.4-179.1-18060.3000111.5N52 L57 R58 Y361 P363 M364 Y367N52-L54 VanDerWaalsContact C-N 3.33Å; N52-L54 PolarHBondContact O-N 3.44Å; L54-L57 PolarHBondContact O-N 2.92Å; L54-R58 HydrophobicContact CD1-CG 4.45Å; L54-R58 WeakPolarHBondContact O-CB 3.47Å; L54-R58 WeakPolarHBondContact O-CG 3.39Å; L54-R58 PolarHBondContact O-N 2.9Å; L54-Y361 HydrophobicContact CB-CE1 4.26Å; L54-P363 HydrophobicContact CD1-CB 4.14Å; L54-M364 HydrophobicContact CD1-CG 4.46Å; L54-M364 HydrophobicContact CD1-SD 3.72Å; L54-Y367 HydrophobicContact CD2-CD2 3.94Å; L54-Y367 HydrophobicContact CD2-CG 4.06Å
55Q95.6Very high91.9Very high129 Ų12955.7 Ų55.760%0.60330%0.297SS*.Hα-helixtrans-66.9-40.3178.4-171.9178.91300111.4N52 R58 S59N52-Q55 HydrophobicContact CB-CB 4.18Å; N52-Q55 VanDerWaalsContact CG-CB 3.46Å; N52-Q55 PolarHBondContact ND2-OE1 2.8Å; N52-Q55 PolarHBondContact O-N 3.48Å; N52-Q55 WeakPolarHBondContact OD1-CB 3.45Å; N52-Q55 PolarHBondContact OD1-N 3.08Å; Q55-R58 PolarHBondContact O-N 3.47Å; Q55-S59 WeakPolarHBondContact O-CB 3.23Å; Q55-S59 PolarHBondContact O-N 3.23Å; Q55-S59 PolarHBondContact O-OG 2.99Å
56F95.7Very high92.1Very high9 Ų959.1 Ų59.14%0.03931%0.312CS..Hα-helixtrans-54.9-54.9174.2173.1-92.8000110.6C45 Q48 F49 N52 P53 R58 S59 R60C45-F56 HydrophobicContact CB-CE2 4.02Å; C45-F56 HydrophobicContact CB-CZ 3.73Å; Q48-F56 HydrophobicContact CB-CD2 3.69Å; Q48-F56 HydrophobicContact CB-CE2 3.84Å; F49-F56 HydrophobicContact CB-CD1 4.26Å; F49-F56 HydrophobicContact CB-CE1 4.34Å; F49-F56 AromaticContact CD2-CD1 3.71Å; F49-F56 HydrophobicContact CD2-CD1 3.71Å; F49-F56 HydrophobicContact CD2-CE1 4Å; F49-F56 HydrophobicContact CG-CD1 4.49Å; N52-F56 VanDerWaalsContact O-CB 3.23Å; N52-F56 WeakPolarHBondContact O-CB 3.25Å; N52-F56 PolarHBondContact O-N 3.45Å; P53-F56 PolarHBondContact O-N 3.3Å; F56-R58 PolarHBondContact O-N 3.11Å; F56-S59 PolarHBondContact O-N 3.42Å; F56-S59 PolarHBondContact O-OG 3.48Å; F56-R60 HydrophobicContact CZ-CG 4.49Å; F56-R60 WeakPolarHBondContact O-CD 3.41Å; F56-R60 PolarHBondContact O-N 2.88Å; F56-R60 VanDerWaalsContact O-N 3.14Å
57L97.1Very high92.8Very high0 Ų058.1 Ų58.10%030%0.304CS..Hα-helixtrans-65.5-39.7-178-67.5175.4000112.7F49 P53 L54 S59 R60 Q61 F68 F79 Y361 M364F49-L57 HydrophobicContact CE2-CD1 4.19Å; F49-L57 HydrophobicContact CE2-CD2 4.37Å; F49-L57 HydrophobicContact CE2-CG 4.29Å; P53-L57 WeakPolarHBondContact O-CB 3.42Å; P53-L57 VanDerWaalsContact O-CG 3.25Å; P53-L57 WeakPolarHBondContact O-CG 3.43Å; P53-L57 PolarHBondContact O-N 2.87Å; L54-L57 PolarHBondContact O-N 2.92Å; L57-S59 VanDerWaalsContact C-N 3.33Å; L57-S59 PolarHBondContact O-N 3.35Å; L57-R60 PolarHBondContact O-N 2.82Å; L57-Q61 WeakPolarHBondContact O-CB 3.24Å; L57-Q61 PolarHBondContact O-N 3.01Å; L57-F68 HydrophobicContact CD2-CE2 3.96Å; L57-F68 HydrophobicContact CD2-CZ 3.66Å; L57-F79 HydrophobicContact CD1-CD1 4.08Å; L57-F79 HydrophobicContact CD1-CE1 4.2Å; L57-F79 HydrophobicContact CD2-CB 4.02Å; L57-F79 HydrophobicContact CD2-CD1 3.57Å; L57-F79 HydrophobicContact CD2-CD2 3.71Å; L57-F79 HydrophobicContact CD2-CE1 3.88Å; L57-F79 HydrophobicContact CD2-CE2 4.01Å; L57-F79 HydrophobicContact CD2-CG 3.47Å; L57-F79 VanDerWaalsContact CD2-CG 3.47Å; L57-F79 HydrophobicContact CD2-CZ 4.08Å; L57-Y361 VanDerWaalsContact CD1-CB 3.49Å; L57-Y361 HydrophobicContact CD1-CD1 3.38Å; L57-Y361 HydrophobicContact CD1-CE1 4.21Å; L57-Y361 HydrophobicContact CD1-CG 3.57Å; L57-M364 HydrophobicContact CB-CE 4.38Å; L57-M364 HydrophobicContact CB-SD 3.76Å
58R96.8Very high93.5Very high64 Ų6452.9 Ų52.924%0.24228%0.277CS..Hα-helixtrans-60-42.2174-76.7177.7172.6-179.4-2112.5L54 Q55 F56 R60 Q61 K62 M364 Y367 Y376L54-R58 HydrophobicContact CD1-CG 4.45Å; L54-R58 WeakPolarHBondContact O-CB 3.47Å; L54-R58 WeakPolarHBondContact O-CG 3.39Å; L54-R58 PolarHBondContact O-N 2.9Å; Q55-R58 PolarHBondContact O-N 3.47Å; F56-R58 PolarHBondContact O-N 3.11Å; R58-R60 VanDerWaalsContact C-N 3.33Å; R58-R60 PolarHBondContact O-N 3.48Å; R58-Q61 PolarHBondContact O-N 3Å; R58-K62 WeakPolarHBondContact O-CG 3.47Å; R58-K62 PolarHBondContact O-N 3.01Å; R58-K62 VanDerWaalsContact O-N 3.1Å; R58-M364 HydrophobicContact CB-CE 4.49Å; R58-M364 HydrophobicContact CG-CE 3.72Å; R58-M364 HydrophobicContact CG-SD 3.72Å; R58-Y367 VanDerWaalsContact NH2-C 3.32Å; R58-Y367 PolarHBondContact NH2-O 2.94Å; R58-Y376 PolarHBondContact NH1-OH 3.18Å
59S97.1Very high94Very high46 Ų4649.6 Ų49.632%0.32226%0.261SS..Hα-helixtrans-63.7-39.9178.270.80000111.9Q55 F56 L57 K62 M63Q55-S59 WeakPolarHBondContact O-CB 3.23Å; Q55-S59 PolarHBondContact O-N 3.23Å; Q55-S59 PolarHBondContact O-OG 2.99Å; F56-S59 PolarHBondContact O-N 3.42Å; F56-S59 PolarHBondContact O-OG 3.48Å; L57-S59 VanDerWaalsContact C-N 3.33Å; L57-S59 PolarHBondContact O-N 3.35Å; S59-K62 PolarHBondContact O-N 3.05Å; S59-M63 PolarHBondContact O-N 3.47Å
60R96.9Very high94.4Very high48 Ų4848.6 Ų48.618%0.18126%0.257CS..Hα-helixtrans-75.2-36.4178.9-86.268-176.3169.9-3.8112E36 F56 L57 R58 K62 M63 Y64 F68E36-R60 IonicContact OE1-CZ 3.56Å; E36-R60 IonicContact OE1-NE 3.26Å; E36-R60 PolarHBondContact OE1-NE 3.13Å; E36-R60 IonicContact OE1-NH2 3.45Å; E36-R60 PolarHBondContact OE1-NH2 3.01Å; E36-R60 WeakPolarHBondContact OE2-CG 3.47Å; E36-R60 IonicContact OE2-CZ 2.74Å; E36-R60 IonicContact OE2-NE 2.73Å; E36-R60 PolarHBondContact OE2-NE 3.47Å; E36-R60 IonicContact OE2-NH2 3.34Å; F56-R60 HydrophobicContact CZ-CG 4.49Å; F56-R60 WeakPolarHBondContact O-CD 3.41Å; F56-R60 PolarHBondContact O-N 2.88Å; F56-R60 VanDerWaalsContact O-N 3.14Å; L57-R60 PolarHBondContact O-N 2.82Å; R58-R60 VanDerWaalsContact C-N 3.33Å; R58-R60 PolarHBondContact O-N 3.48Å; R60-K62 VanDerWaalsContact C-N 3.28Å; R60-K62 PolarHBondContact O-N 3Å; R60-M63 PolarHBondContact O-N 2.72Å; R60-Y64 HydrophobicContact CB-CD2 4.01Å; R60-Y64 HydrophobicContact CB-CE2 4.33Å; R60-Y64 HydrophobicContact CG-CD2 3.97Å; R60-Y64 HydrophobicContact CG-CE2 3.78Å; R60-Y64 WeakPolarHBondContact O-CB 3.19Å; R60-Y64 PolarHBondContact O-N 3.2Å; R60-F68 HydrophobicContact CB-CD1 4.11Å; R60-F68 HydrophobicContact CB-CD2 3.91Å; R60-F68 HydrophobicContact CB-CE1 3.69Å; R60-F68 HydrophobicContact CB-CE2 3.46Å; R60-F68 VanDerWaalsContact CB-CE2 3.46Å; R60-F68 HydrophobicContact CB-CG 4.22Å; R60-F68 HydrophobicContact CB-CZ 3.34Å; R60-F68 HydrophobicContact CG-CD2 4.29Å; R60-F68 HydrophobicContact CG-CE2 3.99Å; R60-F68 HydrophobicContact CG-CZ 4.34Å
61Q96.6Very high95Very high40 Ų4047.8 Ų47.819%0.18724%0.243CC..Hα-helixtrans-59-42.2172.8-175.2-179.118.900111.2L57 R58 M63 G65 F68 C81 M364L57-Q61 WeakPolarHBondContact O-CB 3.24Å; L57-Q61 PolarHBondContact O-N 3.01Å; R58-Q61 PolarHBondContact O-N 3Å; Q61-M63 VanDerWaalsContact C-N 3.27Å; Q61-M63 PolarHBondContact O-N 3.32Å; Q61-G65 WeakPolarHBondContact CA-O 3.2Å; Q61-G65 WeakPolarHBondContact CG-O 3.37Å; Q61-G65 VanDerWaalsContact O-CA 3.28Å; Q61-G65 WeakPolarHBondContact O-CA 3.44Å; Q61-G65 PolarHBondContact O-N 3Å; Q61-F68 HydrophobicContact CB-CE1 4.41Å; Q61-C81 HydrophobicContact CB-CB 4.39Å; Q61-C81 HydrophobicContact CG-CB 4Å; Q61-M364 HydrophobicContact CB-CE 4.4Å
62K96.6Very high95.2Very high190 Ų19045.2 Ų45.283%0.82622%0.218SC*.Hα-helixtrans-63.3-32.5175-72.7179.6179.3-172.80113.1R58 S59 R60R58-K62 WeakPolarHBondContact O-CG 3.47Å; R58-K62 PolarHBondContact O-N 3.01Å; R58-K62 VanDerWaalsContact O-N 3.1Å; S59-K62 PolarHBondContact O-N 3.05Å; R60-K62 VanDerWaalsContact C-N 3.28Å; R60-K62 PolarHBondContact O-N 3Å
63M96.5Very high94.9Very high132 Ų13244.5 Ų44.565%0.6522%0.221SC*.Hα-helixtrans-86.8-37.8-176.1-168.7179.5-7400113.2S59 R60 Q61S59-M63 PolarHBondContact O-N 3.47Å; R60-M63 PolarHBondContact O-N 2.72Å; Q61-M63 VanDerWaalsContact C-N 3.27Å; Q61-M63 PolarHBondContact O-N 3.32Å
64Y96.4Very high94.4Very high67 Ų6746 Ų4626%0.26324%0.237SC..Hα-helixtrans-119-6.6-167.5-55-42.4000113.8V34 E36 R60 F68V34-Y64 HydrophobicContact CB-CD1 4.02Å; V34-Y64 HydrophobicContact CB-CG 4.08Å; V34-Y64 HydrophobicContact CG1-CD1 3.57Å; V34-Y64 HydrophobicContact CG1-CD2 4.45Å; V34-Y64 HydrophobicContact CG1-CE1 3.65Å; V34-Y64 HydrophobicContact CG1-CG 4Å; V34-Y64 HydrophobicContact CG2-CD1 4.28Å; E36-Y64 HydrophobicContact CB-CE2 4.5Å; E36-Y64 WeakPolarHBondContact OE2-CE2 3.42Å; R60-Y64 HydrophobicContact CB-CD2 4.01Å; R60-Y64 HydrophobicContact CB-CE2 4.33Å; R60-Y64 HydrophobicContact CG-CD2 3.97Å; R60-Y64 HydrophobicContact CG-CE2 3.78Å; R60-Y64 WeakPolarHBondContact O-CB 3.19Å; R60-Y64 PolarHBondContact O-N 3.2Å; Y64-F68 HydrophobicContact CD2-CB 3.84Å; Y64-F68 HydrophobicContact CD2-CD2 4.44Å; Y64-F68 HydrophobicContact CD2-CG 4.04Å; Y64-F68 HydrophobicContact CG-CB 4.22Å
65G94Very high94.1Very high30 Ų3049 Ų4931%0.30925%0.25SS..  trans88.2-152.8-179.500000113.5Q61 I67Q61-G65 WeakPolarHBondContact CA-O 3.2Å; Q61-G65 WeakPolarHBondContact CG-O 3.37Å; Q61-G65 VanDerWaalsContact O-CA 3.28Å; Q61-G65 WeakPolarHBondContact O-CA 3.44Å; Q61-G65 PolarHBondContact O-N 3Å; G65-I67 VanDerWaalsContact C-N 3.33Å; G65-I67 PolarHBondContact O-N 2.75Å
66H92.6Very high94.1Very high71 Ų7144.6 Ų44.633%0.32923%0.228SC..SBendtrans-73.8-19.4-167.5-63.5-63.9000115C81 D82H66-C81 PolarHBondContact O-N 2.75Å; H66-D82 HydrophobicContact CB-CB 3.88Å
67I97.8Very high94.1Very high1 Ų145 Ų451%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-143.5135.4178.2-172.9169.4000111.5P33 G65 H78 F79 L80 L342 L344 Y350P33-I67 HydrophobicContact CB-CG1 4.28Å; P33-I67 HydrophobicContact CB-CG2 4.44Å; P33-I67 HydrophobicContact CG-CD1 4.11Å; P33-I67 HydrophobicContact CG-CG1 4.04Å; P33-I67 HydrophobicContact CG-CG2 4.43Å; G65-I67 VanDerWaalsContact C-N 3.33Å; G65-I67 PolarHBondContact O-N 2.75Å; I67-H78 HydrophobicContact CD1-CB 4.45Å; I67-F79 VanDerWaalsContact CA-O 3.31Å; I67-F79 WeakPolarHBondContact CA-O 3.21Å; I67-L80 HydrophobicContact CB-CD1 4.28Å; I67-L342 HydrophobicContact CD1-CD2 3.92Å; I67-L344 HydrophobicContact CG2-CD1 4.19Å; I67-Y350 HydrophobicContact CG2-CD1 3.83Å; I67-Y350 HydrophobicContact CG2-CD2 3.61Å; I67-Y350 HydrophobicContact CG2-CE1 3.56Å; I67-Y350 HydrophobicContact CG2-CE2 3.35Å; I67-Y350 HydrophobicContact CG2-CG 3.83Å
68F98Very high94.2Very high0 Ų045 Ų450%023%0.231CC..EExtended strand (participates in β ladder)trans-151.3157.6176.555.7-90.1000110.4L57 R60 Q61 Y64 H78 F79L57-F68 HydrophobicContact CD2-CE2 3.96Å; L57-F68 HydrophobicContact CD2-CZ 3.66Å; R60-F68 HydrophobicContact CB-CD1 4.11Å; R60-F68 HydrophobicContact CB-CD2 3.91Å; R60-F68 HydrophobicContact CB-CE1 3.69Å; R60-F68 HydrophobicContact CB-CE2 3.46Å; R60-F68 VanDerWaalsContact CB-CE2 3.46Å; R60-F68 HydrophobicContact CB-CG 4.22Å; R60-F68 HydrophobicContact CB-CZ 3.34Å; R60-F68 HydrophobicContact CG-CD2 4.29Å; R60-F68 HydrophobicContact CG-CE2 3.99Å; R60-F68 HydrophobicContact CG-CZ 4.34Å; Q61-F68 HydrophobicContact CB-CE1 4.41Å; Y64-F68 HydrophobicContact CD2-CB 3.84Å; Y64-F68 HydrophobicContact CD2-CD2 4.44Å; Y64-F68 HydrophobicContact CD2-CG 4.04Å; Y64-F68 HydrophobicContact CG-CB 4.22Å; F68-H78 CarbonylContact O-C 3.45Å; F68-H78 WeakPolarHBondContact O-CA 3.32Å; F68-F79 HydrophobicContact CD2-CB 4.44Å; F68-F79 HydrophobicContact CD2-CD2 4.49Å; F68-F79 HydrophobicContact CE1-CB 4.35Å; F68-F79 HydrophobicContact CE2-CB 3.91Å; F68-F79 AromaticContact CE2-CD2 3.89Å; F68-F79 HydrophobicContact CE2-CD2 3.89Å; F68-F79 HydrophobicContact CE2-CG 4.24Å; F68-F79 HydrophobicContact CZ-CB 3.85Å; F68-F79 HydrophobicContact CZ-CG 4.44Å; F68-F79 PolarHBondContact N-O 2.98Å; F68-F79 PolarHBondContact O-N 2.7Å
69T98.3Very high94.3Very high0 Ų042.1 Ų42.10%022%0.22CC..EExtended strand (participates in β ladder)trans-106129.1-179.7-43.20000110V34 I35 E36 Y76 I77 H78V34-T69 PolarHBondContact O-N 3.35Å; I35-T69 CarbonylContact C-O 3.56Å; I35-T69 WeakPolarHBondContact CA-O 3.28Å; E36-T69 PolarHBondContact N-O 3.35Å; T69-Y76 HydrophobicContact CG2-CD1 4.11Å; T69-I77 CarbonylContact C-O 3.6Å; T69-I77 WeakPolarHBondContact CA-O 3.19Å; T69-H78 PolarHBondContact OG1-CE1 2.8Å; T69-H78 PolarHBondContact OG1-ND1 2.97Å
70C96.5Very high94.3Very high0 Ų040 Ų400%021%0.205CC..EExtended strand (participates in β ladder)trans-116.2138.8169.3-64.50000110.2E36 C45 I72 I77 F79E36-C70 WeakPolarHBondContact O-CA 3.34Å; C45-C70 HydrophobicContact CB-CB 4.37Å; C70-I72 HydrophobicContact CB-CD1 4.18Å; C70-I72 HydrophobicContact CB-CG1 4.05Å; C70-I72 PolarHBondContact O-N 2.82Å; C70-I77 PolarHBondContact N-O 3.43Å; C70-I77 PolarHBondContact O-N 2.55Å; C70-F79 HydrophobicContact CB-CD2 4.43Å; C70-F79 HydrophobicContact CB-CE2 4.14Å
71K93.1Very high94.3Very high19 Ų1937.9 Ų37.98%0.08320%0.198CC..EExtended strand (participates in β ladder)trans-77.7119.4164.2-166.9176.5-168.71780108.9G24 E36 P41 G44 C45 Q75 Y76G24-K71 PolarHBondContact O-NZ 3.16Å; E36-K71 PolarHBondContact O-N 3.34Å; P41-K71 WeakPolarHBondContact O-CD 3.25Å; P41-K71 WeakPolarHBondContact O-CE 3.33Å; P41-K71 PolarHBondContact O-NZ 2.74Å; G44-K71 CarbonylContact C-O 3.57Å; G44-K71 WeakPolarHBondContact CA-O 3.49Å; C45-K71 PolarHBondContact N-O 3.44Å; K71-Q75 CarbonylContact C-O 3.5Å; K71-Q75 VanDerWaalsContact CA-O 3.31Å; K71-Q75 WeakPolarHBondContact CA-O 3.36Å; K71-Y76 HydrophobicContact CB-CD1 4.16Å; K71-Y76 HydrophobicContact CB-CE1 3.86Å; K71-Y76 HydrophobicContact CD-CE1 4.09Å; K71-Y76 HydrophobicContact CG-CD1 4.45Å; K71-Y76 HydrophobicContact CG-CE1 4.02Å
72I87.5Confident94.2Very high21 Ų2136.6 Ų36.611%0.10819%0.192CC..EExtended strand (participates in β ladder)trans-132114179.1-62.5-178.2000108C45 A46 F49 C70 G74 Q75 I77 F79C45-I72 HydrophobicContact CB-CG1 4.39Å; A46-I72 HydrophobicContact CB-CG2 4.05Å; F49-I72 HydrophobicContact CB-CD1 4.09Å; F49-I72 HydrophobicContact CD1-CD1 4.22Å; F49-I72 HydrophobicContact CD2-CD1 4.04Å; F49-I72 HydrophobicContact CG-CD1 3.84Å; C70-I72 HydrophobicContact CB-CD1 4.18Å; C70-I72 HydrophobicContact CB-CG1 4.05Å; C70-I72 PolarHBondContact O-N 2.82Å; I72-G74 VanDerWaalsContact C-N 3.31Å; I72-G74 PolarHBondContact O-N 3.48Å; I72-Q75 PolarHBondContact N-O 3.22Å; I72-Q75 PolarHBondContact O-N 3.11Å; I72-I77 HydrophobicContact CB-CD1 3.96Å; I72-I77 HydrophobicContact CB-CG1 4.46Å; I72-I77 HydrophobicContact CD1-CD1 4.27Å; I72-I77 HydrophobicContact CG2-CD1 4.41Å; I72-F79 HydrophobicContact CD1-CE2 3.67Å; I72-F79 HydrophobicContact CD1-CZ 3.77Å
73A82.4Confident94.2Very high46 Ų4627.7 Ų27.738%0.3815%0.154SC..THydrogen-bonded Turntrans48.748.6176.600000113.9Y42 L43 Q75Y42-A73 HydrophobicContact CE1-CB 4.46Å; Y42-A73 CarbonylContact O-C 3.24Å; Y42-A73 PolarHBondContact OH-O 2.92Å; L43-A73 PolarHBondContact O-N 3.25Å; L43-A73 VanDerWaalsContact O-N 3.12Å; A73-Q75 VanDerWaalsContact C-N 3.32Å; A73-Q75 PolarHBondContact O-N 3.04Å
74G82.4Confident94.2Very high33 Ų3322.8 Ų22.834%0.3413%0.129SC..THydrogen-bonded Turntrans85.1-9.6178.300000115.6Y42 I72Y42-G74 PolarHBondContact O-N 3.43Å; I72-G74 VanDerWaalsContact C-N 3.31Å; I72-G74 PolarHBondContact O-N 3.48Å
75Q88Confident94.3Very high83 Ų8319.6 Ų19.639%0.38812%0.116SC..EExtended strand (participates in β ladder)trans-103.9147.5177.5-65.4-172.2-2200111.9K71 I72 A73 I77K71-Q75 CarbonylContact C-O 3.5Å; K71-Q75 VanDerWaalsContact CA-O 3.31Å; K71-Q75 WeakPolarHBondContact CA-O 3.36Å; I72-Q75 PolarHBondContact N-O 3.22Å; I72-Q75 PolarHBondContact O-N 3.11Å; A73-Q75 VanDerWaalsContact C-N 3.32Å; A73-Q75 PolarHBondContact O-N 3.04Å; Q75-I77 HydrophobicContact CB-CG1 4.33Å
76Y95.4Very high94.4Very high37 Ų3718.1 Ų18.115%0.14510%0.101CC..EExtended strand (participates in β ladder)trans-94.2115.4168.7-70.2-79.3000109G24 R26 I35 N37 T69 K71 V357G24-Y76 PolarHBondContact O-OH 3.36Å; R26-Y76 HydrophobicContact CB-CD1 4.41Å; R26-Y76 HydrophobicContact CB-CE1 3.53Å; R26-Y76 HydrophobicContact CB-CE2 3.94Å; R26-Y76 WeakPolarHBondContact CB-OH 3.22Å; R26-Y76 HydrophobicContact CG-CE1 4.32Å; R26-Y76 PolarHBondContact N-OH 2.84Å; R26-Y76 VanDerWaalsContact N-OH 3.15Å; I35-Y76 HydrophobicContact CG2-CD1 4.36Å; I35-Y76 HydrophobicContact CG2-CE1 4.24Å; N37-Y76 WeakPolarHBondContact OD1-CE1 3.21Å; N37-Y76 PolarHBondContact OD1-OH 2.92Å; T69-Y76 HydrophobicContact CG2-CD1 4.11Å; K71-Y76 HydrophobicContact CB-CD1 4.16Å; K71-Y76 HydrophobicContact CB-CE1 3.86Å; K71-Y76 HydrophobicContact CD-CE1 4.09Å; K71-Y76 HydrophobicContact CG-CD1 4.45Å; K71-Y76 HydrophobicContact CG-CE1 4.02Å; Y76-V357 PolarHBondContact O-N 3.04Å
77I97Very high94.5Very high18 Ų1817.7 Ų17.79%0.09210%0.099CC..EExtended strand (participates in β ladder)trans-112.8116.3-175.8-51.9-171000109.1T69 C70 I72 Q75 F79 V357 A359T69-I77 CarbonylContact C-O 3.6Å; T69-I77 WeakPolarHBondContact CA-O 3.19Å; C70-I77 PolarHBondContact N-O 3.43Å; C70-I77 PolarHBondContact O-N 2.55Å; I72-I77 HydrophobicContact CB-CD1 3.96Å; I72-I77 HydrophobicContact CB-CG1 4.46Å; I72-I77 HydrophobicContact CD1-CD1 4.27Å; I72-I77 HydrophobicContact CG2-CD1 4.41Å; Q75-I77 HydrophobicContact CB-CG1 4.33Å; I77-F79 HydrophobicContact CB-CE2 4.09Å; I77-F79 HydrophobicContact CB-CZ 4.42Å; I77-F79 HydrophobicContact CG2-CD2 4.19Å; I77-F79 HydrophobicContact CG2-CE1 4.17Å; I77-F79 HydrophobicContact CG2-CE2 3.8Å; I77-F79 HydrophobicContact CG2-CZ 3.79Å; I77-V357 CarbonylContact C-O 3.58Å; I77-V357 WeakPolarHBondContact CA-O 3.35Å; I77-V357 HydrophobicContact CB-CB 4.46Å; I77-V357 HydrophobicContact CG1-CB 4.11Å; I77-V357 HydrophobicContact CG1-CG1 4.38Å; I77-V357 HydrophobicContact CG2-CB 4.4Å; I77-V357 HydrophobicContact CG2-CG1 4.08Å; I77-A359 HydrophobicContact CG2-CB 3.55Å
78H98.4Very high94.3Very high0 Ų018.5 Ų18.50%011%0.105CC..EExtended strand (participates in β ladder)trans-81.9110169.9-55.1-72.7000109.3I67 F68 T69 D356 V357 I358 A359I67-H78 HydrophobicContact CD1-CB 4.45Å; F68-H78 CarbonylContact O-C 3.45Å; F68-H78 WeakPolarHBondContact O-CA 3.32Å; T69-H78 PolarHBondContact OG1-CE1 2.8Å; T69-H78 PolarHBondContact OG1-ND1 2.97Å; H78-D356 IonicContact CD2-OD2 3.51Å; H78-D356 IonicContact CE1-OD2 2.81Å; H78-D356 VanDerWaalsContact NE2-CB 3.3Å; H78-D356 WeakPolarHBondContact NE2-CB 3.37Å; H78-D356 IonicContact NE2-OD2 3.61Å; H78-D356 PolarHBondContact NE2-OD2 3.28Å; H78-V357 PolarHBondContact CD2-O 3.02Å; H78-V357 VanDerWaalsContact CD2-O 3.3Å; H78-V357 PolarHBondContact N-O 2.87Å; H78-I358 HydrophobicContact CB-CG1 4.26Å; H78-I358 CarbonylContact O-C 3.54Å; H78-I358 WeakPolarHBondContact O-CA 3.24Å; H78-A359 PolarHBondContact O-N 3.44Å
79F98.3Very high94.2Very high2 Ų218.5 Ų18.51%0.00911%0.105CC..EExtended strand (participates in β ladder)trans-87.9118.1173.4-72-79.6000109.8F49 L57 I67 F68 C70 I72 I77 L331 A359F49-F79 HydrophobicContact CD2-CZ 4.1Å; F49-F79 AromaticContact CE2-CE1 3.89Å; F49-F79 HydrophobicContact CE2-CE1 3.89Å; F49-F79 AromaticContact CE2-CZ 3.6Å; F49-F79 HydrophobicContact CE2-CZ 3.6Å; F49-F79 HydrophobicContact CZ-CE1 4.33Å; F49-F79 HydrophobicContact CZ-CZ 4.13Å; L57-F79 HydrophobicContact CD1-CD1 4.08Å; L57-F79 HydrophobicContact CD1-CE1 4.2Å; L57-F79 HydrophobicContact CD2-CB 4.02Å; L57-F79 HydrophobicContact CD2-CD1 3.57Å; L57-F79 HydrophobicContact CD2-CD2 3.71Å; L57-F79 HydrophobicContact CD2-CE1 3.88Å; L57-F79 HydrophobicContact CD2-CE2 4.01Å; L57-F79 HydrophobicContact CD2-CG 3.47Å; L57-F79 VanDerWaalsContact CD2-CG 3.47Å; L57-F79 HydrophobicContact CD2-CZ 4.08Å; I67-F79 VanDerWaalsContact CA-O 3.31Å; I67-F79 WeakPolarHBondContact CA-O 3.21Å; F68-F79 HydrophobicContact CD2-CB 4.44Å; F68-F79 HydrophobicContact CD2-CD2 4.49Å; F68-F79 HydrophobicContact CE1-CB 4.35Å; F68-F79 HydrophobicContact CE2-CB 3.91Å; F68-F79 AromaticContact CE2-CD2 3.89Å; F68-F79 HydrophobicContact CE2-CD2 3.89Å; F68-F79 HydrophobicContact CE2-CG 4.24Å; F68-F79 HydrophobicContact CZ-CB 3.85Å; F68-F79 HydrophobicContact CZ-CG 4.44Å; F68-F79 PolarHBondContact N-O 2.98Å; F68-F79 PolarHBondContact O-N 2.7Å; C70-F79 HydrophobicContact CB-CD2 4.43Å; C70-F79 HydrophobicContact CB-CE2 4.14Å; I72-F79 HydrophobicContact CD1-CE2 3.67Å; I72-F79 HydrophobicContact CD1-CZ 3.77Å; I77-F79 HydrophobicContact CB-CE2 4.09Å; I77-F79 HydrophobicContact CB-CZ 4.42Å; I77-F79 HydrophobicContact CG2-CD2 4.19Å; I77-F79 HydrophobicContact CG2-CE1 4.17Å; I77-F79 HydrophobicContact CG2-CE2 3.8Å; I77-F79 HydrophobicContact CG2-CZ 3.79Å; F79-L331 HydrophobicContact CE1-CD2 4.04Å; F79-A359 WeakPolarHBondContact CA-O 3.44Å; F79-A359 HydrophobicContact CD1-CB 3.96Å; F79-A359 HydrophobicContact CE1-CB 3.9Å
80L98Very high94Very high1 Ų118.7 Ų18.71%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-97.2114.917117765.9000108.9I67 Y86 V89 L344 A359 L360I67-L80 HydrophobicContact CB-CD1 4.28Å; L80-Y86 HydrophobicContact CD2-CD1 4.3Å; L80-Y86 HydrophobicContact CG-CD1 4.36Å; L80-Y86 VanDerWaalsContact O-CE1 3.3Å; L80-Y86 WeakPolarHBondContact O-CE1 3.45Å; L80-V89 HydrophobicContact CD2-CG2 3.61Å; L80-L344 HydrophobicContact CD1-CD1 4.06Å; L80-L344 HydrophobicContact CD1-CD2 3.86Å; L80-L344 HydrophobicContact CD2-CD2 4.37Å; L80-A359 PolarHBondContact N-O 3.25Å; L80-A359 VanDerWaalsContact N-O 3.11Å; L80-L360 HydrophobicContact CB-CD2 3.76Å; L80-L360 HydrophobicContact CD2-CD2 3.96Å; L80-L360 HydrophobicContact CG-CD2 4.19Å
81C96.3Very high93.7Very high5 Ų526.9 Ų26.93%0.03414%0.137CC..  trans-105.6-8.8-173.7-62.60000113.9Q61 H66 P83 M364Q61-C81 HydrophobicContact CB-CB 4.39Å; Q61-C81 HydrophobicContact CG-CB 4Å; H66-C81 PolarHBondContact O-N 2.75Å; C81-P83 WeakPolarHBondContact O-CD 3.14Å; C81-M364 HydrophobicContact CB-CE 4.25Å
82D95.4Very high93.4Very high12 Ų1228.9 Ų28.96%0.06415%0.147CC..  trans-81.6113.6173.117232.3000111.6H66 F84 S85 Y86H66-D82 HydrophobicContact CB-CB 3.88Å; D82-F84 VanDerWaalsContact C-N 3.25Å; D82-F84 PolarHBondContact O-N 3.09Å; D82-F84 PolarHBondContact OD1-N 3.06Å; D82-S85 PolarHBondContact O-N 3.38Å; D82-S85 VanDerWaalsContact O-N 3.17Å; D82-S85 WeakPolarHBondContact OD2-CB 3.16Å; D82-S85 PolarHBondContact OD2-N 3.42Å; D82-S85 PolarHBondContact OD2-OG 2.67Å; D82-Y86 WeakPolarHBondContact O-CD1 3.23Å; D82-Y86 WeakPolarHBondContact O-CE1 3.48Å; D82-Y86 PolarHBondContact O-N 3.44Å
83P96.3Very high93.3Very high4 Ų430.2 Ų30.23%0.02617%0.165CC..THydrogen-bonded Turntrans-65.9-24.9-18027.8-35.3000113.6C81 S85 Y86 V365 R396 L401C81-P83 WeakPolarHBondContact O-CD 3.14Å; P83-S85 VanDerWaalsContact C-N 3.3Å; P83-Y86 PolarHBondContact O-N 3.33Å; P83-V365 HydrophobicContact CB-CG2 3.85Å; P83-R396 VanDerWaalsContact CD-NH1 3.31Å; P83-L401 HydrophobicContact CB-CD2 3.88Å; P83-L401 HydrophobicContact CG-CD2 3.97Å
84F96.8Very high93.8Very high28 Ų2837 Ų3712%0.12318%0.181CC..THydrogen-bonded Turntrans-69.1-34.5175.7-67.2-66.8000111.1D82 Y86 H87 D345 R396 R399 L401D82-F84 VanDerWaalsContact C-N 3.25Å; D82-F84 PolarHBondContact O-N 3.09Å; D82-F84 PolarHBondContact OD1-N 3.06Å; F84-Y86 PolarHBondContact O-N 2.71Å; F84-H87 PolarHBondContact O-CE1 3.28Å; F84-H87 VanDerWaalsContact O-CE1 3.32Å; F84-H87 PolarHBondContact O-ND1 2.9Å; F84-D345 HydrophobicContact CB-CB 4.23Å; F84-R396 HydrophobicContact CE2-CB 4.09Å; F84-R396 HydrophobicContact CZ-CB 3.95Å; F84-R396 WeakPolarHBondContact CZ-O 3.45Å; F84-R399 HydrophobicContact CD1-CG 4.24Å; F84-R399 HydrophobicContact CE1-CB 3.77Å; F84-R399 HydrophobicContact CE1-CG 3.55Å; F84-R399 HydrophobicContact CZ-CB 3.7Å; F84-R399 HydrophobicContact CZ-CG 4.03Å; F84-L401 HydrophobicContact CD1-CD2 4.18Å; F84-L401 HydrophobicContact CE1-CD2 3.68Å; F84-L401 HydrophobicContact CE1-CG 4.4Å; F84-L401 HydrophobicContact CE2-CD2 4.38Å; F84-L401 HydrophobicContact CZ-CD2 3.79Å; F84-L401 HydrophobicContact CZ-CG 4.46Å
85S97.1Very high94.4Very high0 Ų037.1 Ų37.10%017%0.172CC..THydrogen-bonded Turntrans-79.6-7.6177-64.40000115.1D82 P83 H87 S88 L344 D345D82-S85 PolarHBondContact O-N 3.38Å; D82-S85 VanDerWaalsContact O-N 3.17Å; D82-S85 WeakPolarHBondContact OD2-CB 3.16Å; D82-S85 PolarHBondContact OD2-N 3.42Å; D82-S85 PolarHBondContact OD2-OG 2.67Å; P83-S85 VanDerWaalsContact C-N 3.3Å; S85-H87 PolarHBondContact O-N 3Å; S85-S88 VanDerWaalsContact O-CB 3.31Å; S85-S88 WeakPolarHBondContact O-CB 3.22Å; S85-S88 PolarHBondContact O-N 3.01Å; S85-S88 PolarHBondContact O-OG 3.38Å; S85-L344 WeakPolarHBondContact OG-CB 3.26Å; S85-D345 WeakPolarHBondContact OG-CB 3.47Å; S85-D345 PolarHBondContact OG-N 3.45Å
86Y96.9Very high94.9Very high0 Ų033.2 Ų33.20%015%0.154CC..Hα-helixtrans-55.5-31-178.7-79.812.6000113.5L80 D82 P83 F84 S88 V89 I90 L360 V365 M406L80-Y86 HydrophobicContact CD2-CD1 4.3Å; L80-Y86 HydrophobicContact CG-CD1 4.36Å; L80-Y86 VanDerWaalsContact O-CE1 3.3Å; L80-Y86 WeakPolarHBondContact O-CE1 3.45Å; D82-Y86 WeakPolarHBondContact O-CD1 3.23Å; D82-Y86 WeakPolarHBondContact O-CE1 3.48Å; D82-Y86 PolarHBondContact O-N 3.44Å; P83-Y86 PolarHBondContact O-N 3.33Å; F84-Y86 PolarHBondContact O-N 2.71Å; Y86-S88 PolarHBondContact O-N 3.07Å; Y86-V89 PolarHBondContact O-N 3.04Å; Y86-I90 WeakPolarHBondContact O-CB 3.49Å; Y86-I90 VanDerWaalsContact O-CG1 3.26Å; Y86-I90 WeakPolarHBondContact O-CG1 3.26Å; Y86-I90 PolarHBondContact O-N 3.21Å; Y86-L360 HydrophobicContact CD1-CD1 4.16Å; Y86-L360 HydrophobicContact CD1-CD2 3.81Å; Y86-L360 HydrophobicContact CD1-CG 4.46Å; Y86-L360 HydrophobicContact CD2-CD1 3.99Å; Y86-L360 HydrophobicContact CE1-CB 4.38Å; Y86-L360 HydrophobicContact CE1-CD2 3.93Å; Y86-L360 HydrophobicContact CE2-CB 4.36Å; Y86-L360 HydrophobicContact CE2-CD1 4.41Å; Y86-L360 HydrophobicContact CG-CD1 3.84Å; Y86-L360 HydrophobicContact CG-CD2 4.35Å; Y86-V365 HydrophobicContact CE2-CG2 3.85Å; Y86-M406 HydrophobicContact CD2-CE 4.03Å; Y86-M406 HydrophobicContact CD2-SD 3.73Å; Y86-M406 HydrophobicContact CE2-CE 4.32Å; Y86-M406 HydrophobicContact CE2-SD 3.75Å
87H94.5Very high94.9Very high62 Ų6232 Ų3229%0.28715%0.15SC..Hα-helixtrans-62.2-29.817873.2-90.3000113.2F84 S85 V89 R91 D345 Y403F84-H87 PolarHBondContact O-CE1 3.28Å; F84-H87 VanDerWaalsContact O-CE1 3.32Å; F84-H87 PolarHBondContact O-ND1 2.9Å; S85-H87 PolarHBondContact O-N 3Å; H87-V89 PolarHBondContact O-N 3.42Å; H87-R91 WeakPolarHBondContact O-CB 3.4Å; H87-R91 PolarHBondContact O-N 3.15Å; H87-R91 VanDerWaalsContact O-N 3.12Å; H87-D345 IonicContact CE1-OD1 3.11Å; H87-D345 PolarHBondContact CE1-OD1 2.6Å; H87-Y403 HydrophobicContact CB-CE2 3.88Å
88S94.5Very high94.7Very high17 Ų1734.9 Ų34.912%0.11916%0.16CC..Hα-helixtrans-65-27.2178.470.20000112.7S85 Y86 Q92 H343S85-S88 VanDerWaalsContact O-CB 3.31Å; S85-S88 WeakPolarHBondContact O-CB 3.22Å; S85-S88 PolarHBondContact O-N 3.01Å; S85-S88 PolarHBondContact O-OG 3.38Å; Y86-S88 PolarHBondContact O-N 3.07Å; S88-Q92 WeakPolarHBondContact O-CB 3.43Å; S88-H343 WeakPolarHBondContact CB-O 3.4Å
89V95.7Very high94.5Very high0 Ų036.1 Ų36.10%017%0.168CC..Hα-helixtrans-95.2-45.3177.2178.60000110.5L80 Y86 H87 R91 Q92 L96 R334 L342 I358 L360L80-V89 HydrophobicContact CD2-CG2 3.61Å; Y86-V89 PolarHBondContact O-N 3.04Å; H87-V89 PolarHBondContact O-N 3.42Å; V89-R91 PolarHBondContact O-N 3.07Å; V89-Q92 PolarHBondContact O-N 2.94Å; V89-L96 HydrophobicContact CG1-CD1 4Å; V89-R334 HydrophobicContact CG1-CB 4.37Å; V89-R334 HydrophobicContact CG1-CG 3.8Å; V89-L342 HydrophobicContact CG2-CD1 4.34Å; V89-L342 HydrophobicContact CG2-CD2 4.5Å; V89-I358 HydrophobicContact CG1-CG2 4.02Å; V89-I358 HydrophobicContact CG2-CG2 3.81Å; V89-L360 HydrophobicContact CB-CD2 4.38Å; V89-L360 HydrophobicContact CG1-CD2 4.47Å; V89-L360 HydrophobicContact CG2-CD2 4.36Å
90I94Very high94.2Very high5 Ų539.9 Ų39.93%0.02618%0.184CC..Hα-helixtrans-66.6-36.9-172.5-68.5167000112.4Y86 L360 Y403 M406Y86-I90 WeakPolarHBondContact O-CB 3.49Å; Y86-I90 VanDerWaalsContact O-CG1 3.26Å; Y86-I90 WeakPolarHBondContact O-CG1 3.26Å; Y86-I90 PolarHBondContact O-N 3.21Å; I90-L360 HydrophobicContact CD1-CD1 3.87Å; I90-L360 HydrophobicContact CG1-CD1 3.79Å; I90-Y403 HydrophobicContact CD1-CD1 3.94Å; I90-Y403 HydrophobicContact CD1-CD2 4Å; I90-Y403 HydrophobicContact CD1-CE1 3.75Å; I90-Y403 HydrophobicContact CD1-CE2 3.81Å; I90-Y403 HydrophobicContact CD1-CG 4.06Å; I90-Y403 HydrophobicContact CG2-CE1 4.24Å; I90-M406 HydrophobicContact CD1-CE 3.9Å
91R90.9Very high93.7Very high172 Ų17242.2 Ų42.265%0.64919%0.194SC*.THydrogen-bonded Turntrans-92.3-8.6-178.2-71-177.6157.8170.4-3.7114H87 V89 G93 R402H87-R91 WeakPolarHBondContact O-CB 3.4Å; H87-R91 PolarHBondContact O-N 3.15Å; H87-R91 VanDerWaalsContact O-N 3.12Å; V89-R91 PolarHBondContact O-N 3.07Å; R91-G93 PolarHBondContact O-N 3.23Å; R91-G93 VanDerWaalsContact O-N 3.13Å; R91-R402 VanDerWaalsContact NE-NH2 3.12Å
92Q86.3Confident93.5Very high61 Ų6145.6 Ų45.629%0.28521%0.209SC..  trans-80.897.4-172.8179.461.7-84.600111.1S88 V89 H95 L96S88-Q92 WeakPolarHBondContact O-CB 3.43Å; V89-Q92 PolarHBondContact O-N 2.94Å; Q92-H95 HydrophobicContact CG-CB 4.44Å; Q92-L96 HydrophobicContact CB-CD1 3.99Å; Q92-L96 HydrophobicContact CB-CG 4.35Å; Q92-L96 HydrophobicContact CG-CB 4.41Å; Q92-L96 HydrophobicContact CG-CD1 4.02Å; Q92-L96 HydrophobicContact CG-CG 3.91Å; Q92-L96 WeakPolarHBondContact O-CB 3.49Å
93G84.7Confident93.4Very high48 Ų4846.5 Ų46.550%0.49521%0.213SC..  trans-91.1-21.9176.800000114.5R91 K337R91-G93 PolarHBondContact O-N 3.23Å; R91-G93 VanDerWaalsContact O-N 3.13Å; G93-K337 PolarHBondContact O-NZ 3.13Å
94R92.7Very high93Very high189 Ų18949.1 Ų49.171%0.71324%0.235SC*.SBendtrans-69.7-57-173.8-177.2177.6175176.6-0.1111K337R94-K337 WeakPolarHBondContact O-CD 3.28Å
95H96.4Very high92.5Very high35 Ų3550.9 Ų50.916%0.16225%0.248CC..SBendtrans-96.4-14-172.9-54.7-65.6000114Q92 K337 E338 F340Q92-H95 HydrophobicContact CG-CB 4.44Å; H95-K337 WeakPolarHBondContact O-CB 3.26Å; H95-K337 PolarHBondContact O-N 3.42Å; H95-E338 IonicContact CE1-OE1 3.22Å; H95-E338 PolarHBondContact CE1-OE1 3.4Å; H95-E338 VanDerWaalsContact CE1-OE1 3.22Å; H95-E338 IonicContact CG-OE1 3.93Å; H95-E338 IonicContact ND1-OE1 2.68Å; H95-E338 PolarHBondContact ND1-OE1 3.4Å; H95-F340 HydrophobicContact CB-CB 4.09Å; H95-F340 HydrophobicContact CB-CD1 3.86Å; H95-F340 HydrophobicContact CB-CD2 3.75Å; H95-F340 HydrophobicContact CB-CE1 4.22Å; H95-F340 HydrophobicContact CB-CE2 4.13Å; H95-F340 HydrophobicContact CB-CG 3.62Å; H95-F340 HydrophobicContact CB-CZ 4.36Å; H95-F340 AromaticContact CD2-CD2 3.97Å; H95-F340 AromaticContact CG-CD2 3.91Å; H95-F340 AromaticContact CG-CG 3.86Å
96L96.5Very high92.2Very high1 Ų152 Ų521%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-113.4131.5-176.5-60.4-179.2000111.9V89 Q92 R334 V335 A336 K337 F340 I358V89-L96 HydrophobicContact CG1-CD1 4Å; Q92-L96 HydrophobicContact CB-CD1 3.99Å; Q92-L96 HydrophobicContact CB-CG 4.35Å; Q92-L96 HydrophobicContact CG-CB 4.41Å; Q92-L96 HydrophobicContact CG-CD1 4.02Å; Q92-L96 HydrophobicContact CG-CG 3.91Å; Q92-L96 WeakPolarHBondContact O-CB 3.49Å; L96-R334 HydrophobicContact CB-CB 4.05Å; L96-R334 HydrophobicContact CB-CG 4.29Å; L96-R334 HydrophobicContact CD1-CB 3.96Å; L96-R334 HydrophobicContact CD1-CG 4.06Å; L96-R334 HydrophobicContact CD2-CB 4.32Å; L96-R334 HydrophobicContact CG-CB 4.35Å; L96-V335 WeakPolarHBondContact CA-O 3.31Å; L96-A336 HydrophobicContact CD2-CB 4.42Å; L96-K337 WeakPolarHBondContact O-CE 3.1Å; L96-K337 PolarHBondContact O-NZ 2.9Å; L96-F340 HydrophobicContact CD2-CE1 3.71Å; L96-F340 HydrophobicContact CD2-CZ 3.64Å; L96-F340 HydrophobicContact CG-CZ 4.17Å; L96-I358 HydrophobicContact CD1-CD1 4.11Å; L96-I358 HydrophobicContact CD2-CD1 3.75Å; L96-I358 HydrophobicContact CD2-CG1 4.49Å
97D95.6Very high91.9Very high12 Ų1254.2 Ų54.26%0.06427%0.269CS..EExtended strand (participates in β ladder)trans-95.8131.9171.7-171.2-43000108.7T99 K100 R118 R334 V335 K337D97-T99 PolarHBondContact OD1-N 3.02Å; D97-T99 PolarHBondContact OD1-OG1 3.17Å; D97-T99 VanDerWaalsContact OD1-OG1 3.1Å; D97-K100 HydrophobicContact CB-CB 4.44Å; D97-K100 WeakPolarHBondContact OD1-CB 3.42Å; D97-K100 PolarHBondContact OD1-N 2.85Å; D97-R118 IonicContact OD2-CZ 3.65Å; D97-R118 IonicContact OD2-NH1 2.76Å; D97-R118 PolarHBondContact OD2-NH1 2.71Å; D97-R118 IonicContact OD2-NH2 2.86Å; D97-R118 PolarHBondContact OD2-NH2 3.05Å; D97-R334 CarbonylContact O-C 3.54Å; D97-R334 WeakPolarHBondContact O-CA 3.41Å; D97-V335 PolarHBondContact N-O 3.35Å; D97-V335 PolarHBondContact O-N 2.97Å; D97-K337 HydrophobicContact CB-CD 4.4Å; D97-K337 HydrophobicContact CB-CG 3.82Å
98W93.9Very high91.4Very high78 Ų7860.1 Ų60.130%0.29529%0.294SS..SBendtrans-109.6-7.2-179.365.1-92.1000113.1H102 H127 V412 T413W98-H102 PolarHBondContact O-CE1 2.84Å; W98-H102 PolarHBondContact O-ND1 3.09Å; W98-H127 HydrophobicContact CH2-CB 3.81Å; W98-H127 AromaticContact CH2-CG 3.78Å; W98-H127 AromaticContact CH2-ND1 3.92Å; W98-V412 HydrophobicContact CB-CG2 4.25Å; W98-V412 HydrophobicContact CD2-CG2 4.12Å; W98-V412 HydrophobicContact CG-CG2 3.76Å; W98-T413 HydrophobicContact CB-CG2 3.69Å; W98-T413 HydrophobicContact CD2-CG2 4.3Å; W98-T413 HydrophobicContact CE3-CG2 3.92Å; W98-T413 HydrophobicContact CG-CG2 4.25Å
99T93.6Very high90.7Very high27 Ų2761.7 Ų61.717%0.16631%0.308CS..SBendtrans-101.5-36-178.154.40000112.5D97 F101 H102 F103D97-T99 PolarHBondContact OD1-N 3.02Å; D97-T99 PolarHBondContact OD1-OG1 3.17Å; D97-T99 VanDerWaalsContact OD1-OG1 3.1Å; T99-F101 PolarHBondContact O-N 2.79Å; T99-H102 PolarHBondContact O-N 3.39Å; T99-F103 HydrophobicContact CG2-CE2 4.11Å; T99-F103 HydrophobicContact CG2-CZ 4.09Å; T99-F103 PolarHBondContact O-N 2.66Å
100K91.3Very high90.3Very high80 Ų8063 Ų6335%0.34831%0.314SS..Hα-helixtrans-48.8-51.4-172.7-176.7173.4177.4176.50113.2D97 A104 V335 D355D97-K100 HydrophobicContact CB-CB 4.44Å; D97-K100 WeakPolarHBondContact OD1-CB 3.42Å; D97-K100 PolarHBondContact OD1-N 2.85Å; K100-A104 WeakPolarHBondContact O-CB 3.33Å; K100-A104 PolarHBondContact O-N 2.92Å; K100-V335 HydrophobicContact CD-CG1 4.18Å; K100-D355 IonicContact NZ-OD1 2.95Å; K100-D355 PolarHBondContact NZ-OD1 2.59Å
101F89Confident90Very high50 Ų5064.1 Ų64.122%0.21933%0.326CS..Hα-helixtrans-66-44.5179.9-175.6-87.8000112.4T99 A104 T105 I333 V335T99-F101 PolarHBondContact O-N 2.79Å; F101-A104 PolarHBondContact O-N 2.94Å; F101-T105 WeakPolarHBondContact CE1-OG1 3.44Å; F101-T105 WeakPolarHBondContact O-CB 3.45Å; F101-T105 PolarHBondContact O-N 3.49Å; F101-T105 PolarHBondContact O-OG1 2.68Å; F101-I333 HydrophobicContact CB-CG2 3.83Å; F101-I333 HydrophobicContact CD1-CB 4.42Å; F101-I333 HydrophobicContact CD1-CD1 3.97Å; F101-I333 HydrophobicContact CD1-CG2 3.84Å; F101-I333 HydrophobicContact CD2-CG2 4.12Å; F101-I333 HydrophobicContact CE1-CD1 3.54Å; F101-I333 HydrophobicContact CE1-CG2 4.47Å; F101-I333 HydrophobicContact CE2-CD1 4.38Å; F101-I333 HydrophobicContact CG-CG2 3.65Å; F101-I333 HydrophobicContact CZ-CD1 3.77Å; F101-V335 HydrophobicContact CB-CG2 3.89Å
102H90.9Very high90.1Very high76 Ų7656.1 Ų56.135%0.35230%0.296SS..Hα-helixtrans-67.3-43-176.9-61.4100.4000111.8W98 T99 T105 S106W98-H102 PolarHBondContact O-CE1 2.84Å; W98-H102 PolarHBondContact O-ND1 3.09Å; T99-H102 PolarHBondContact O-N 3.39Å; H102-T105 PolarHBondContact O-N 2.89Å; H102-S106 WeakPolarHBondContact O-CB 3.31Å; H102-S106 PolarHBondContact O-N 3.21Å
103F93Very high90.5Very high32 Ų3255.3 Ų55.314%0.1429%0.294CS..Hα-helixtrans-64.4-45.1176.4-68.6-18.1000112.1T99 T105 S106 V107 F115 D116 L126T99-F103 HydrophobicContact CG2-CE2 4.11Å; T99-F103 HydrophobicContact CG2-CZ 4.09Å; T99-F103 PolarHBondContact O-N 2.66Å; F103-T105 VanDerWaalsContact C-N 3.3Å; F103-T105 PolarHBondContact O-N 3.44Å; F103-S106 PolarHBondContact O-N 2.85Å; F103-V107 WeakPolarHBondContact O-CG2 3.23Å; F103-V107 PolarHBondContact O-N 3.42Å; F103-F115 HydrophobicContact CD1-CB 3.9Å; F103-F115 HydrophobicContact CD1-CD2 4.39Å; F103-F115 HydrophobicContact CD2-CB 4.37Å; F103-F115 HydrophobicContact CE1-CB 3.9Å; F103-F115 HydrophobicContact CE2-CB 4.35Å; F103-F115 HydrophobicContact CG-CB 4.14Å; F103-F115 HydrophobicContact CZ-CB 4.13Å; F103-D116 HydrophobicContact CD2-CB 3.89Å; F103-L126 HydrophobicContact CE1-CD2 4.35Å
104A88.9Confident91Very high59 Ų5953.7 Ų53.749%0.48828%0.275SS..Hα-helixtrans-60.8-40.6175.800000112K100 F101 K108K100-A104 WeakPolarHBondContact O-CB 3.33Å; K100-A104 PolarHBondContact O-N 2.92Å; F101-A104 PolarHBondContact O-N 2.94Å; A104-K108 WeakPolarHBondContact O-CB 3.4Å; A104-K108 PolarHBondContact O-N 3.46Å; A104-K108 VanDerWaalsContact O-N 3.09Å
105T86.3Confident91Very high65 Ų6545.1 Ų45.140%0.39924%0.243SC..Hα-helixtrans-64.1-44.8176.7-58.30000111.4F101 H102 F103 K108 A109F101-T105 WeakPolarHBondContact CE1-OG1 3.44Å; F101-T105 WeakPolarHBondContact O-CB 3.45Å; F101-T105 PolarHBondContact O-N 3.49Å; F101-T105 PolarHBondContact O-OG1 2.68Å; H102-T105 PolarHBondContact O-N 2.89Å; F103-T105 VanDerWaalsContact C-N 3.3Å; F103-T105 PolarHBondContact O-N 3.44Å; T105-K108 PolarHBondContact O-N 2.9Å; T105-A109 WeakPolarHBondContact O-CB 3.38Å; T105-A109 PolarHBondContact O-N 3.2Å
106S90.3Very high90.8Very high22 Ų2243.9 Ų43.915%0.15424%0.238CC..Hα-helixtrans-60.5-48.4178.2-165.40000111.8H102 F103 K108 A109 F110 H112H102-S106 WeakPolarHBondContact O-CB 3.31Å; H102-S106 PolarHBondContact O-N 3.21Å; F103-S106 PolarHBondContact O-N 2.85Å; S106-K108 VanDerWaalsContact C-N 3.31Å; S106-K108 PolarHBondContact O-N 2.98Å; S106-A109 PolarHBondContact O-N 2.98Å; S106-F110 WeakPolarHBondContact O-CB 3.38Å; S106-F110 WeakPolarHBondContact O-CD2 3.45Å; S106-F110 PolarHBondContact O-N 2.96Å; S106-H112 PolarHBondContact O-NE2 3.38Å; S106-H112 PolarHBondContact OG-CE1 3.37Å; S106-H112 PolarHBondContact OG-NE2 3.46Å
107V90Very high90.6Very high47 Ų4747.2 Ų47.229%0.28526%0.259SS..Hα-helixtrans-55.5-47.5175.9168.30000110.8F103 G111 H112F103-V107 WeakPolarHBondContact O-CG2 3.23Å; F103-V107 PolarHBondContact O-N 3.42Å; V107-G111 VanDerWaalsContact O-CA 3.24Å; V107-G111 WeakPolarHBondContact O-CA 3.38Å; V107-G111 PolarHBondContact O-N 3.03Å; V107-H112 WeakPolarHBondContact CG1-O 3.42Å
108K84.4Confident90.4Very high186 Ų18653.6 Ų53.681%0.80928%0.282SS*.Hα-helixtrans-69.1-36.8-176.6-151.6173.6-171.4178.60112.7A104 T105 S106A104-K108 WeakPolarHBondContact O-CB 3.4Å; A104-K108 PolarHBondContact O-N 3.46Å; A104-K108 VanDerWaalsContact O-N 3.09Å; T105-K108 PolarHBondContact O-N 2.9Å; S106-K108 VanDerWaalsContact C-N 3.31Å; S106-K108 PolarHBondContact O-N 2.98Å
109A79.4Confident90.4Very high51 Ų5155.3 Ų55.342%0.42129%0.293SS..Hα-helixtrans-76.9-45.5-179.600000112.5T105 S106 R204T105-A109 WeakPolarHBondContact O-CB 3.38Å; T105-A109 PolarHBondContact O-N 3.2Å; S106-A109 PolarHBondContact O-N 2.98Å; A109-R204 PolarHBondContact O-NH1 2.93Å
110F87.5Confident90.4Very high28 Ų2856.9 Ų56.912%0.12332%0.315CS..Hα-helixtrans-103.6-14.1-169.4-59.4-71.8000113.7S106 R204 R246 V249 A250 W253S106-F110 WeakPolarHBondContact O-CB 3.38Å; S106-F110 WeakPolarHBondContact O-CD2 3.45Å; S106-F110 PolarHBondContact O-N 2.96Å; F110-R204 VanDerWaalsContact C-NH1 3.33Å; F110-R204 PolarHBondContact O-NH1 3.5Å; F110-R246 WeakPolarHBondContact O-CD 3.44Å; F110-V249 HydrophobicContact CD1-CG1 4.22Å; F110-A250 HydrophobicContact CB-CB 4.23Å; F110-A250 HydrophobicContact CD1-CB 4.17Å; F110-A250 HydrophobicContact CD2-CB 3.52Å; F110-A250 HydrophobicContact CE1-CB 4.47Å; F110-A250 HydrophobicContact CE2-CB 3.87Å; F110-A250 HydrophobicContact CG-CB 3.7Å; F110-A250 HydrophobicContact CZ-CB 4.33Å; F110-W253 HydrophobicContact CE1-CB 3.71Å; F110-W253 AromaticContact CE1-CG 3.96Å; F110-W253 HydrophobicContact CE1-CG 3.96Å; F110-W253 HydrophobicContact CZ-CB 3.62Å; F110-W253 AromaticContact CZ-CD2 3.81Å; F110-W253 HydrophobicContact CZ-CD2 3.81Å; F110-W253 HydrophobicContact CZ-CE3 4.09Å; F110-W253 AromaticContact CZ-CG 3.59Å; F110-W253 HydrophobicContact CZ-CG 3.59Å
111G88.6Confident90.7Very high27 Ų2757.7 Ų57.728%0.27832%0.316SS..  trans69.130.5175.100000114.4V107 R246V107-G111 VanDerWaalsContact O-CA 3.24Å; V107-G111 WeakPolarHBondContact O-CA 3.38Å; V107-G111 PolarHBondContact O-N 3.03Å; G111-R246 WeakPolarHBondContact O-CD 3.39Å; G111-R246 PolarHBondContact O-NH1 3.42Å
112H93.8Very high91Very high5 Ų555.5 Ų55.52%0.02331%0.307CS..PPolyproline II helixtrans-95.4166.4169.662.273000110.5S106 V107 F115 R246 T247S106-H112 PolarHBondContact O-NE2 3.38Å; S106-H112 PolarHBondContact OG-CE1 3.37Å; S106-H112 PolarHBondContact OG-NE2 3.46Å; V107-H112 WeakPolarHBondContact CG1-O 3.42Å; H112-F115 AromaticContact CE1-CD2 3.45Å; H112-F115 VanDerWaalsContact CE1-CD2 3.45Å; H112-F115 WeakPolarHBondContact CE1-CD2 3.49Å; H112-F115 AromaticContact CE1-CE2 3.1Å; H112-F115 WeakPolarHBondContact CE1-CE2 3.45Å; H112-F115 AromaticContact CE1-CZ 3.77Å; H112-F115 AromaticContact ND1-CE2 3.75Å; H112-F115 AromaticContact ND1-CZ 3.99Å; H112-F115 AromaticContact NE2-CE2 3.43Å; H112-F115 WeakPolarHBondContact NE2-CE2 3.17Å; H112-R246 HydrophobicContact CB-CB 3.86Å; H112-T247 HydrophobicContact CB-CG2 4.2Å
113D94.4Very high91.3Very high44 Ų4456.9 Ų56.924%0.23532%0.321CS..PPolyproline II helixtrans-68.3161.2174-60.6-57.6000111.5F115 Y121 F239 S243D113-F115 PolarHBondContact O-N 3.22Å; D113-Y121 HydrophobicContact CB-CD1 3.94Å; D113-Y121 HydrophobicContact CB-CD2 4.4Å; D113-Y121 HydrophobicContact CB-CE1 4.28Å; D113-Y121 HydrophobicContact CB-CG 4.01Å; D113-F239 HydrophobicContact CB-CD1 3.49Å; D113-F239 VanDerWaalsContact CB-CD1 3.49Å; D113-F239 HydrophobicContact CB-CE1 3.47Å; D113-F239 VanDerWaalsContact CB-CE1 3.47Å; D113-S243 VanDerWaalsContact CG-OG 3.29Å; D113-S243 PolarHBondContact N-OG 3.14Å; D113-S243 WeakPolarHBondContact OD2-CB 3.34Å; D113-S243 PolarHBondContact OD2-OG 3.38Å
114S93.6Very high91.4Very high13 Ų1355.7 Ų55.79%0.09132%0.316CS..PPolyproline II helixtrans-69.2132.1-170.6-164.50000113.6D116 H119S114-D116 PolarHBondContact O-N 3.49Å; S114-D116 WeakPolarHBondContact OG-CB 3.39Å; S114-D116 PolarHBondContact OG-N 3.45Å; S114-H119 WeakPolarHBondContact CB-ND1 3.21Å; S114-H119 PolarHBondContact OG-ND1 3.22Å
115F93Very high91.7Very high10 Ų1057.4 Ų57.44%0.04432%0.317CS..  trans-74.6-6.3167.4-64-58.9000113.7F103 H112 D113 P117 L126 F239 T247F103-F115 HydrophobicContact CD1-CB 3.9Å; F103-F115 HydrophobicContact CD1-CD2 4.39Å; F103-F115 HydrophobicContact CD2-CB 4.37Å; F103-F115 HydrophobicContact CE1-CB 3.9Å; F103-F115 HydrophobicContact CE2-CB 4.35Å; F103-F115 HydrophobicContact CG-CB 4.14Å; F103-F115 HydrophobicContact CZ-CB 4.13Å; H112-F115 AromaticContact CE1-CD2 3.45Å; H112-F115 VanDerWaalsContact CE1-CD2 3.45Å; H112-F115 WeakPolarHBondContact CE1-CD2 3.49Å; H112-F115 AromaticContact CE1-CE2 3.1Å; H112-F115 WeakPolarHBondContact CE1-CE2 3.45Å; H112-F115 AromaticContact CE1-CZ 3.77Å; H112-F115 AromaticContact ND1-CE2 3.75Å; H112-F115 AromaticContact ND1-CZ 3.99Å; H112-F115 AromaticContact NE2-CE2 3.43Å; H112-F115 WeakPolarHBondContact NE2-CE2 3.17Å; D113-F115 PolarHBondContact O-N 3.22Å; F115-P117 WeakPolarHBondContact O-CD 3.33Å; F115-L126 HydrophobicContact CD1-CD2 4.44Å; F115-L126 HydrophobicContact CD2-CD2 4.16Å; F115-L126 HydrophobicContact CE2-CD2 4.36Å; F115-L126 HydrophobicContact CG-CD2 4.2Å; F115-F239 HydrophobicContact CD1-CE2 4.2Å; F115-F239 AromaticContact CD1-CZ 3.99Å; F115-F239 HydrophobicContact CD1-CZ 3.99Å; F115-F239 HydrophobicContact CE1-CE2 4.01Å; F115-F239 HydrophobicContact CE1-CZ 4.18Å; F115-T247 HydrophobicContact CE1-CG2 3.6Å; F115-T247 HydrophobicContact CZ-CG2 3.51Å
116D93.8Very high92Very high9 Ų955.1 Ų55.15%0.04830%0.302CS..  trans-72115.3179.9-165.5-29.9000109.7F103 S114 R118 H119F103-D116 HydrophobicContact CD2-CB 3.89Å; S114-D116 PolarHBondContact O-N 3.49Å; S114-D116 WeakPolarHBondContact OG-CB 3.39Å; S114-D116 PolarHBondContact OG-N 3.45Å; D116-R118 VanDerWaalsContact CG-NE 3.3Å; D116-R118 PolarHBondContact O-N 3.02Å; D116-R118 VanDerWaalsContact OD1-CB 3.24Å; D116-R118 WeakPolarHBondContact OD1-CB 3.31Å; D116-R118 VanDerWaalsContact OD1-CG 3.28Å; D116-R118 WeakPolarHBondContact OD1-CG 3.31Å; D116-R118 IonicContact OD1-CZ 3.45Å; D116-R118 PolarHBondContact OD1-N 2.95Å; D116-R118 IonicContact OD1-NE 2.85Å; D116-R118 PolarHBondContact OD1-NE 3.36Å; D116-R118 IonicContact OD1-NH2 3.74Å; D116-R118 IonicContact OD2-CZ 3.59Å; D116-R118 IonicContact OD2-NE 3.29Å; D116-R118 PolarHBondContact OD2-NE 3.14Å; D116-R118 IonicContact OD2-NH2 2.76Å; D116-R118 PolarHBondContact OD2-NH2 2.92Å; D116-H119 PolarHBondContact O-N 2.68Å
117P90.9Very high92.2Very high71 Ų7156.1 Ų56.146%0.46130%0.304SS..G310 helixtrans-60.5-21.9-178.2-23.935.8000112.9F115 H119 G120 T122F115-P117 WeakPolarHBondContact O-CD 3.33Å; P117-H119 PolarHBondContact O-N 3.24Å; P117-G120 PolarHBondContact O-N 2.92Å; P117-G120 VanDerWaalsContact O-N 3.12Å; P117-T122 WeakPolarHBondContact CA-O 3.45Å
118R91.6Very high92.5Very high146 Ų14658 Ų5855%0.55131%0.31SS*.G310 helixtrans-63.5-22.4175-61.3175-73.1-152.8-4.3113.1D97 D116D97-R118 IonicContact OD2-CZ 3.65Å; D97-R118 IonicContact OD2-NH1 2.76Å; D97-R118 PolarHBondContact OD2-NH1 2.71Å; D97-R118 IonicContact OD2-NH2 2.86Å; D97-R118 PolarHBondContact OD2-NH2 3.05Å; D116-R118 VanDerWaalsContact CG-NE 3.3Å; D116-R118 PolarHBondContact O-N 3.02Å; D116-R118 VanDerWaalsContact OD1-CB 3.24Å; D116-R118 WeakPolarHBondContact OD1-CB 3.31Å; D116-R118 VanDerWaalsContact OD1-CG 3.28Å; D116-R118 WeakPolarHBondContact OD1-CG 3.31Å; D116-R118 IonicContact OD1-CZ 3.45Å; D116-R118 PolarHBondContact OD1-N 2.95Å; D116-R118 IonicContact OD1-NE 2.85Å; D116-R118 PolarHBondContact OD1-NE 3.36Å; D116-R118 IonicContact OD1-NH2 3.74Å; D116-R118 IonicContact OD2-CZ 3.59Å; D116-R118 IonicContact OD2-NE 3.29Å; D116-R118 PolarHBondContact OD2-NE 3.14Å; D116-R118 IonicContact OD2-NH2 2.76Å; D116-R118 PolarHBondContact OD2-NH2 2.92Å
119H94.6Very high93Very high114 Ų11449.6 Ų49.653%0.52827%0.274SS..G310 helixtrans-89.8-6.2177.5-62.3156.7000113.3S114 D116 P117 Y121S114-H119 WeakPolarHBondContact CB-ND1 3.21Å; S114-H119 PolarHBondContact OG-ND1 3.22Å; D116-H119 PolarHBondContact O-N 2.68Å; P117-H119 PolarHBondContact O-N 3.24Å; H119-Y121 VanDerWaalsContact C-N 3.31Å; H119-Y121 HydrophobicContact CB-CD2 3.81Å; H119-Y121 HydrophobicContact CB-CE2 4.03Å; H119-Y121 PolarHBondContact O-N 3.39Å
120G94.2Very high93.8Very high59 Ų5948.9 Ų48.961%0.60826%0.262SS*.SBendtrans77.53.3172.100000116.4P117P117-G120 PolarHBondContact O-N 2.92Å; P117-G120 VanDerWaalsContact O-N 3.12Å
121Y95.9Very high94.2Very high97 Ų9749.8 Ų49.838%0.3827%0.267SS..SBendtrans-77.5-25.5177.2-64.1-77.6000113.8D113 H119 S237 T238 F239D113-Y121 HydrophobicContact CB-CD1 3.94Å; D113-Y121 HydrophobicContact CB-CD2 4.4Å; D113-Y121 HydrophobicContact CB-CE1 4.28Å; D113-Y121 HydrophobicContact CB-CG 4.01Å; H119-Y121 VanDerWaalsContact C-N 3.31Å; H119-Y121 HydrophobicContact CB-CD2 3.81Å; H119-Y121 HydrophobicContact CB-CE2 4.03Å; H119-Y121 PolarHBondContact O-N 3.39Å; Y121-S237 CarbonylContact O-C 3.48Å; Y121-S237 VanDerWaalsContact O-CA 3.23Å; Y121-S237 WeakPolarHBondContact O-CA 3.43Å; Y121-T238 PolarHBondContact O-N 2.81Å; Y121-T238 PolarHBondContact O-OG1 3.42Å; Y121-F239 HydrophobicContact CG-CE1 4.41Å
122T96.8Very high94.5Very high4 Ų455.4 Ų55.43%0.02528%0.284CS..BIsolated β-bridgetrans-153.8152.4176.5-1750000112.1P117 E124 L236 F239P117-T122 WeakPolarHBondContact CA-O 3.45Å; T122-E124 WeakPolarHBondContact OG1-CB 3.23Å; T122-E124 PolarHBondContact OG1-N 3.22Å; T122-L236 CarbonylContact C-O 3.6Å; T122-L236 WeakPolarHBondContact CA-O 3.48Å; T122-L236 WeakPolarHBondContact CB-O 3.3Å; T122-L236 PolarHBondContact OG1-O 3.48Å; T122-F239 HydrophobicContact CG2-CZ 3.92Å
123T96.3Very high94.6Very high106 Ų10655.7 Ų55.765%0.6529%0.286SS*.  trans-1034.4169.357.50000112.8N125 L236T123-N125 PolarHBondContact O-N 2.93Å; T123-L236 PolarHBondContact N-O 3.37Å
124E95.7Very high94.7Very high6 Ų654.4 Ų54.43%0.02828%0.279CS..  trans-61.6130.8-179.8-175.4-174.9177.500111.6T122 L126 T129 R229 L232T122-E124 WeakPolarHBondContact OG1-CB 3.23Å; T122-E124 PolarHBondContact OG1-N 3.22Å; E124-L126 PolarHBondContact O-N 2.91Å; E124-L126 WeakPolarHBondContact OE1-CD1 3.35Å; E124-T129 WeakPolarHBondContact OE1-CB 3.46Å; E124-T129 PolarHBondContact OE1-OG1 2.99Å; E124-R229 VanDerWaalsContact OE1-CD 3.3Å; E124-R229 WeakPolarHBondContact OE1-CD 3.32Å; E124-R229 IonicContact OE1-NE 3.09Å; E124-R229 IonicContact OE2-NE 3.51Å; E124-R229 PolarHBondContact OE2-NE 2.82Å; E124-L232 HydrophobicContact CG-CB 4.46Å; E124-L232 HydrophobicContact CG-CD1 4.08Å; E124-L232 WeakPolarHBondContact OE1-CD1 3.44Å
125N94.8Very high94.7Very high95 Ų9555.6 Ų55.651%0.50828%0.283SS..  trans-8885.8162.7-171.6-29.5000110T123 H127 Q128 T129T123-N125 PolarHBondContact O-N 2.93Å; N125-H127 PolarHBondContact O-N 3.05Å; N125-H127 VanDerWaalsContact O-N 3.13Å; N125-H127 PolarHBondContact OD1-N 2.92Å; N125-Q128 HydrophobicContact CB-CB 4.2Å; N125-Q128 HydrophobicContact CB-CG 4.25Å; N125-Q128 PolarHBondContact O-N 3.49Å; N125-Q128 PolarHBondContact OD1-N 2.65Å; N125-T129 PolarHBondContact O-N 2.98Å; N125-T129 VanDerWaalsContact O-N 3.08Å; N125-T129 PolarHBondContact O-OG1 3.26Å
126L93.5Very high94.6Very high17 Ų1757.1 Ų57.19%0.08930%0.302CS..Hα-helixtrans-55.9-34.6-174.1-171.865000113.2F103 F115 E124 T129 F130F103-L126 HydrophobicContact CE1-CD2 4.35Å; F115-L126 HydrophobicContact CD1-CD2 4.44Å; F115-L126 HydrophobicContact CD2-CD2 4.16Å; F115-L126 HydrophobicContact CE2-CD2 4.36Å; F115-L126 HydrophobicContact CG-CD2 4.2Å; E124-L126 PolarHBondContact O-N 2.91Å; E124-L126 WeakPolarHBondContact OE1-CD1 3.35Å; L126-T129 WeakPolarHBondContact O-CB 3.48Å; L126-T129 PolarHBondContact O-N 2.96Å; L126-F130 HydrophobicContact CD1-CD1 4.49Å; L126-F130 HydrophobicContact CD1-CE1 3.69Å; L126-F130 HydrophobicContact CD1-CE2 4.18Å; L126-F130 HydrophobicContact CD1-CZ 3.52Å; L126-F130 HydrophobicContact CD2-CE2 3.83Å; L126-F130 HydrophobicContact CD2-CZ 3.67Å; L126-F130 HydrophobicContact CG-CD2 4.26Å; L126-F130 HydrophobicContact CG-CE1 4Å; L126-F130 HydrophobicContact CG-CE2 3.54Å; L126-F130 HydrophobicContact CG-CZ 3.39Å; L126-F130 WeakPolarHBondContact O-CD2 3.2Å; L126-F130 VanDerWaalsContact O-CG 3.28Å; L126-F130 WeakPolarHBondContact O-CG 2.93Å; L126-F130 PolarHBondContact O-N 3.23Å
127H93.9Very high94.6Very high44 Ų4465.4 Ų65.420%0.20434%0.341CS..Hα-helixtrans-64.3-42.9177-174.271000112W98 N125 T129 F130 L131W98-H127 HydrophobicContact CH2-CB 3.81Å; W98-H127 AromaticContact CH2-CG 3.78Å; W98-H127 AromaticContact CH2-ND1 3.92Å; N125-H127 PolarHBondContact O-N 3.05Å; N125-H127 VanDerWaalsContact O-N 3.13Å; N125-H127 PolarHBondContact OD1-N 2.92Å; H127-T129 VanDerWaalsContact C-N 3.35Å; H127-F130 PolarHBondContact O-N 3.06Å; H127-L131 WeakPolarHBondContact O-CG 3.33Å; H127-L131 PolarHBondContact O-N 3.14Å
128Q95Very high94.6Very high87 Ų8762.6 Ų62.641%0.40732%0.323SS..Hα-helixtrans-66.7-37.5175.5-68.8-61.6-29.400111.8N125 F130 L131 K132N125-Q128 HydrophobicContact CB-CB 4.2Å; N125-Q128 HydrophobicContact CB-CG 4.25Å; N125-Q128 PolarHBondContact O-N 3.49Å; N125-Q128 PolarHBondContact OD1-N 2.65Å; Q128-F130 VanDerWaalsContact C-N 3.32Å; Q128-F130 PolarHBondContact O-N 3.45Å; Q128-L131 PolarHBondContact O-N 3.27Å; Q128-K132 WeakPolarHBondContact O-CB 3.39Å; Q128-K132 WeakPolarHBondContact O-CG 3.31Å; Q128-K132 PolarHBondContact O-N 3.4Å
129T95.8Very high94.7Very high9 Ų955.7 Ų55.76%0.05530%0.297CS..Hα-helixtrans-56.2-48.3172.4-51.50000110.9E124 N125 L126 H127 K132 T133 M228 R229 L232E124-T129 WeakPolarHBondContact OE1-CB 3.46Å; E124-T129 PolarHBondContact OE1-OG1 2.99Å; N125-T129 PolarHBondContact O-N 2.98Å; N125-T129 VanDerWaalsContact O-N 3.08Å; N125-T129 PolarHBondContact O-OG1 3.26Å; L126-T129 WeakPolarHBondContact O-CB 3.48Å; L126-T129 PolarHBondContact O-N 2.96Å; H127-T129 VanDerWaalsContact C-N 3.35Å; T129-K132 PolarHBondContact O-N 3.43Å; T129-T133 PolarHBondContact O-N 2.68Å; T129-T133 PolarHBondContact O-OG1 3.12Å; T129-M228 HydrophobicContact CG2-CG 4.03Å; T129-R229 HydrophobicContact CG2-CG 4.23Å; T129-L232 HydrophobicContact CG2-CD1 3.76Å; T129-L232 WeakPolarHBondContact OG1-CD1 3.48Å
130F96.4Very high94.8Very high36 Ų3653.2 Ų53.216%0.15829%0.291CS..Hα-helixtrans-64.5-41.8178-61.7-28000113.2L126 H127 Q128 K132 T133 L134 L225 L251 P416L126-F130 HydrophobicContact CD1-CD1 4.49Å; L126-F130 HydrophobicContact CD1-CE1 3.69Å; L126-F130 HydrophobicContact CD1-CE2 4.18Å; L126-F130 HydrophobicContact CD1-CZ 3.52Å; L126-F130 HydrophobicContact CD2-CE2 3.83Å; L126-F130 HydrophobicContact CD2-CZ 3.67Å; L126-F130 HydrophobicContact CG-CD2 4.26Å; L126-F130 HydrophobicContact CG-CE1 4Å; L126-F130 HydrophobicContact CG-CE2 3.54Å; L126-F130 HydrophobicContact CG-CZ 3.39Å; L126-F130 WeakPolarHBondContact O-CD2 3.2Å; L126-F130 VanDerWaalsContact O-CG 3.28Å; L126-F130 WeakPolarHBondContact O-CG 2.93Å; L126-F130 PolarHBondContact O-N 3.23Å; H127-F130 PolarHBondContact O-N 3.06Å; Q128-F130 VanDerWaalsContact C-N 3.32Å; Q128-F130 PolarHBondContact O-N 3.45Å; F130-K132 VanDerWaalsContact C-N 3.31Å; F130-K132 PolarHBondContact O-N 2.74Å; F130-T133 PolarHBondContact O-N 2.74Å; F130-L134 HydrophobicContact CB-CD1 4.29Å; F130-L134 VanDerWaalsContact O-CB 3.28Å; F130-L134 WeakPolarHBondContact O-CB 3.46Å; F130-L134 PolarHBondContact O-N 2.87Å; F130-L225 HydrophobicContact CD1-CD1 3.71Å; F130-L225 HydrophobicContact CE1-CD1 4.02Å; F130-L251 HydrophobicContact CE1-CD2 3.42Å; F130-L251 VanDerWaalsContact CE1-CD2 3.42Å; F130-L251 HydrophobicContact CZ-CD2 3.5Å; F130-P416 HydrophobicContact CB-CB 3.66Å; F130-P416 HydrophobicContact CB-CG 3.73Å; F130-P416 HydrophobicContact CD2-CG 3.89Å; F130-P416 HydrophobicContact CG-CG 4.09Å
131L94.9Very high94.7Very high47 Ų4753.7 Ų53.725%0.24629%0.285CS..Hα-helixtrans-63.1-39.1177.9-68.3-178.1000112H127 Q128 T133 Q135 P416H127-L131 WeakPolarHBondContact O-CG 3.33Å; H127-L131 PolarHBondContact O-N 3.14Å; Q128-L131 PolarHBondContact O-N 3.27Å; L131-T133 VanDerWaalsContact C-N 3.33Å; L131-T133 PolarHBondContact O-N 3.01Å; L131-Q135 WeakPolarHBondContact O-CB 3.22Å; L131-Q135 PolarHBondContact O-N 3.06Å; L131-P416 HydrophobicContact CD2-CB 4.38Å
132K95.8Very high94.7Very high144 Ų14449.6 Ų49.663%0.62627%0.27SS*.Hα-helixtrans-68.6-29.2178.9-74.2179.5178-173.60113.9Q128 T129 F130 A138Q128-K132 WeakPolarHBondContact O-CB 3.39Å; Q128-K132 WeakPolarHBondContact O-CG 3.31Å; Q128-K132 PolarHBondContact O-N 3.4Å; T129-K132 PolarHBondContact O-N 3.43Å; F130-K132 VanDerWaalsContact C-N 3.31Å; F130-K132 PolarHBondContact O-N 2.74Å; K132-A138 WeakPolarHBondContact O-CB 3.38Å
133T96.5Very high94.6Very high12 Ų1249.6 Ų49.67%0.07427%0.27CS..Hα-helixtrans-111.9-9.1-168.454.50000114.1T129 F130 L131 D224 L225 M228T129-T133 PolarHBondContact O-N 2.68Å; T129-T133 PolarHBondContact O-OG1 3.12Å; F130-T133 PolarHBondContact O-N 2.74Å; L131-T133 VanDerWaalsContact C-N 3.33Å; L131-T133 PolarHBondContact O-N 3.01Å; T133-D224 HydrophobicContact CG2-CB 4.24Å; T133-L225 WeakPolarHBondContact OG1-CD1 3.41Å; T133-M228 HydrophobicContact CG2-CB 4.15Å; T133-M228 HydrophobicContact CG2-CG 4.47Å
134L96.3Very high94.5Very high16 Ų1649.4 Ų49.48%0.08426%0.261CS..Hα-helixtrans-121.23.9178.2-63.5171.4000113.2F130 L142 L225 P416F130-L134 HydrophobicContact CB-CD1 4.29Å; F130-L134 VanDerWaalsContact O-CB 3.28Å; F130-L134 WeakPolarHBondContact O-CB 3.46Å; F130-L134 PolarHBondContact O-N 2.87Å; L134-L142 HydrophobicContact CD2-CD2 3.87Å; L134-L225 HydrophobicContact CD1-CD2 4.24Å; L134-L225 HydrophobicContact CD2-CD2 4Å; L134-L225 HydrophobicContact CG-CD2 4.26Å; L134-P416 HydrophobicContact CD1-CB 4.43Å; L134-P416 HydrophobicContact CD1-CG 4.4Å
135Q93.4Very high94.4Very high38 Ų3851.3 Ų51.318%0.17827%0.273CS..SBendtrans-142.7172.8179-50.9-176.220.700109.5L131 E137 P416 F419L131-Q135 WeakPolarHBondContact O-CB 3.22Å; L131-Q135 PolarHBondContact O-N 3.06Å; Q135-E137 PolarHBondContact O-N 3.17Å; Q135-P416 PolarHBondContact NE2-O 2.72Å; Q135-F419 HydrophobicContact CG-CD2 4.01Å; Q135-F419 HydrophobicContact CG-CE2 4.29Å
136G91.8Very high94.5Very high42 Ų4246.8 Ų46.843%0.43325%0.249SC..THydrogen-bonded Turntrans59.7-137.317800000112.1A138 L139 P140G136-A138 VanDerWaalsContact C-N 3.29Å; G136-A138 PolarHBondContact O-N 2.58Å; G136-L139 WeakPolarHBondContact O-CB 3.34Å; G136-L139 PolarHBondContact O-N 2.76Å; G136-P140 VanDerWaalsContact O-CD 3.29Å; G136-P140 WeakPolarHBondContact O-CD 3.23Å
137E91.8Very high94.5Very high184 Ų18446 Ų4686%0.8625%0.245SC*.THydrogen-bonded Turntrans-64.1-25.6-173.2-58-54.4128.600114.7Q135 L139 P140Q135-E137 PolarHBondContact O-N 3.17Å; E137-L139 VanDerWaalsContact C-N 3.3Å; E137-P140 WeakPolarHBondContact O-CD 3.42Å
138A92.2Very high94.4Very high11 Ų1144.3 Ų44.39%0.09124%0.239CC..Hα-helixtrans-75.9-21.5178.400000112.7K132 G136 L142K132-A138 WeakPolarHBondContact O-CB 3.38Å; G136-A138 VanDerWaalsContact C-N 3.29Å; G136-A138 PolarHBondContact O-N 2.58Å; A138-L142 PolarHBondContact O-N 3.38Å
139L94.4Very high94.3Very high1 Ų142.1 Ų42.11%0.00523%0.229CC..Hα-helixtrans-72.6-42.3-170.5-176.758.7000114.1G136 E137 S141 L142 I143 F419 F420 Y423G136-L139 WeakPolarHBondContact O-CB 3.34Å; G136-L139 PolarHBondContact O-N 2.76Å; E137-L139 VanDerWaalsContact C-N 3.3Å; L139-S141 PolarHBondContact O-N 3.47Å; L139-L142 WeakPolarHBondContact O-CB 3.35Å; L139-L142 PolarHBondContact O-N 2.9Å; L139-L142 VanDerWaalsContact O-N 3.16Å; L139-I143 HydrophobicContact CD1-CD1 4.27Å; L139-I143 HydrophobicContact CD1-CG1 4.14Å; L139-I143 HydrophobicContact CG-CD1 3.88Å; L139-I143 HydrophobicContact CG-CG1 4.27Å; L139-I143 VanDerWaalsContact O-CG1 3.29Å; L139-I143 WeakPolarHBondContact O-CG1 3.39Å; L139-I143 PolarHBondContact O-N 3.47Å; L139-F419 HydrophobicContact CD2-CB 3.69Å; L139-F419 HydrophobicContact CD2-CG 4.43Å; L139-F420 HydrophobicContact CD1-CB 3.81Å; L139-F420 HydrophobicContact CD1-CD2 4.34Å; L139-Y423 HydrophobicContact CD1-CD2 4.42Å; L139-Y423 HydrophobicContact CD2-CD2 4.45Å; L139-Y423 HydrophobicContact CD2-CE2 3.84Å; L139-Y423 HydrophobicContact CG-CE2 4.32Å
140P94.8Very high94.2Very high63 Ų6341.7 Ų41.741%0.40923%0.226SC..Hα-helixtrans-55.4-46.4177.6-28.636.3000114G136 E137 L142 I143 E144G136-P140 VanDerWaalsContact O-CD 3.29Å; G136-P140 WeakPolarHBondContact O-CD 3.23Å; E137-P140 WeakPolarHBondContact O-CD 3.42Å; P140-L142 VanDerWaalsContact C-N 3.28Å; P140-L142 PolarHBondContact O-N 3.33Å; P140-I143 WeakPolarHBondContact O-CB 3.22Å; P140-I143 PolarHBondContact O-N 3.45Å; P140-E144 PolarHBondContact O-N 3.46Å
141S93.7Very high93.9Very high68 Ų6840.5 Ų40.548%0.47622%0.221SC..Hα-helixtrans-62.1-38.1178177.60000111.8L139 E144 T145L139-S141 PolarHBondContact O-N 3.47Å; S141-E144 PolarHBondContact O-N 3.12Å; S141-T145 VanDerWaalsContact O-CB 3.32Å; S141-T145 WeakPolarHBondContact O-CB 3.37Å; S141-T145 PolarHBondContact O-N 3.23Å; S141-T145 PolarHBondContact O-OG1 2.9Å
142L94.5Very high93.6Very high12 Ų1241.1 Ų41.16%0.06323%0.225CC..Hα-helixtrans-66.9-39.8177.1-163.969.5000112.2L134 A138 L139 P140 M146 T187 L188 F420L134-L142 HydrophobicContact CD2-CD2 3.87Å; A138-L142 PolarHBondContact O-N 3.38Å; L139-L142 WeakPolarHBondContact O-CB 3.35Å; L139-L142 PolarHBondContact O-N 2.9Å; L139-L142 VanDerWaalsContact O-N 3.16Å; P140-L142 VanDerWaalsContact C-N 3.28Å; P140-L142 PolarHBondContact O-N 3.33Å; L142-M146 WeakPolarHBondContact O-CB 3.41Å; L142-M146 PolarHBondContact O-N 2.8Å; L142-T187 HydrophobicContact CD1-CG2 3.57Å; L142-T187 HydrophobicContact CG-CG2 4.16Å; L142-L188 HydrophobicContact CD1-CD2 4.31Å; L142-F420 HydrophobicContact CB-CD2 4.3Å; L142-F420 HydrophobicContact CB-CE2 4.34Å; L142-F420 HydrophobicContact CD2-CB 4.16Å; L142-F420 HydrophobicContact CD2-CD1 3.91Å; L142-F420 HydrophobicContact CD2-CD2 3.5Å; L142-F420 HydrophobicContact CD2-CE1 4.2Å; L142-F420 HydrophobicContact CD2-CE2 3.84Å; L142-F420 HydrophobicContact CD2-CG 3.55Å; L142-F420 HydrophobicContact CD2-CZ 4.17Å; L142-F420 HydrophobicContact CG-CD2 3.67Å; L142-F420 HydrophobicContact CG-CE1 4.47Å; L142-F420 HydrophobicContact CG-CE2 3.55Å; L142-F420 HydrophobicContact CG-CG 4.22Å; L142-F420 HydrophobicContact CG-CZ 3.97Å
143I94.9Very high93.2Very high4 Ų434.4 Ų34.42%0.02120%0.196CC..Hα-helixtrans-61.9-49.6175.2-69167.5000110.4L139 P140 M146 M147 R307 L310 Y423 Q427L139-I143 HydrophobicContact CD1-CD1 4.27Å; L139-I143 HydrophobicContact CD1-CG1 4.14Å; L139-I143 HydrophobicContact CG-CD1 3.88Å; L139-I143 HydrophobicContact CG-CG1 4.27Å; L139-I143 VanDerWaalsContact O-CG1 3.29Å; L139-I143 WeakPolarHBondContact O-CG1 3.39Å; L139-I143 PolarHBondContact O-N 3.47Å; P140-I143 WeakPolarHBondContact O-CB 3.22Å; P140-I143 PolarHBondContact O-N 3.45Å; I143-M146 PolarHBondContact O-N 3.36Å; I143-M147 PolarHBondContact O-N 3.43Å; I143-R307 HydrophobicContact CD1-CB 4.12Å; I143-R307 HydrophobicContact CD1-CG 4.46Å; I143-L310 HydrophobicContact CG2-CD1 3.69Å; I143-Y423 HydrophobicContact CD1-CD2 3.29Å; I143-Y423 HydrophobicContact CD1-CE2 3.57Å; I143-Y423 HydrophobicContact CD1-CG 3.98Å; I143-Y423 HydrophobicContact CG1-CD2 3.64Å; I143-Y423 HydrophobicContact CG1-CE2 4.38Å; I143-Y423 HydrophobicContact CG1-CG 4.16Å; I143-Q427 PolarHBondContact O-NE2 2.83Å
144E94.2Very high92.7Very high102 Ų10233.9 Ų33.948%0.47719%0.193SC..Hα-helixtrans-62.2-47.3-179.8176169.7-15100111.5P140 S141 M146 M147 G148 N304P140-E144 PolarHBondContact O-N 3.46Å; S141-E144 PolarHBondContact O-N 3.12Å; E144-M146 VanDerWaalsContact C-N 3.32Å; E144-M146 PolarHBondContact O-N 3.4Å; E144-M147 WeakPolarHBondContact O-CB 3.28Å; E144-M147 PolarHBondContact O-N 2.89Å; E144-G148 PolarHBondContact O-N 2.85Å; E144-N304 PolarHBondContact OE1-ND2 2.96Å
145T94.1Very high92.1Very high46 Ų4634.6 Ų34.628%0.28220%0.196SC..Hα-helixtrans-59.7-43.1177.6-57.20000111.5S141 M147 G148 H149 T187S141-T145 VanDerWaalsContact O-CB 3.32Å; S141-T145 WeakPolarHBondContact O-CB 3.37Å; S141-T145 PolarHBondContact O-N 3.23Å; S141-T145 PolarHBondContact O-OG1 2.9Å; T145-M147 VanDerWaalsContact C-N 3.33Å; T145-M147 PolarHBondContact O-N 3.35Å; T145-G148 PolarHBondContact O-N 3.48Å; T145-H149 WeakPolarHBondContact CG2-CE1 3.46Å; T145-H149 PolarHBondContact O-N 3.11Å; T145-H149 PolarHBondContact O-ND1 3.45Å; T145-T187 HydrophobicContact CG2-CG2 4.11Å
146M95.9Very high91.3Very high0 Ų039.2 Ų39.20%022%0.216CC..Hα-helixtrans-61.9-41.7177.1-173.959.7-17700112.2L142 I143 E144 G148 H149 L150 M180 A183 T187 F420 E424L142-M146 WeakPolarHBondContact O-CB 3.41Å; L142-M146 PolarHBondContact O-N 2.8Å; I143-M146 PolarHBondContact O-N 3.36Å; E144-M146 VanDerWaalsContact C-N 3.32Å; E144-M146 PolarHBondContact O-N 3.4Å; M146-G148 PolarHBondContact O-N 3.46Å; M146-H149 PolarHBondContact O-N 2.88Å; M146-L150 HydrophobicContact CE-CD1 3.92Å; M146-L150 HydrophobicContact CE-CD2 3.8Å; M146-L150 HydrophobicContact CE-CG 3.72Å; M146-L150 HydrophobicContact CG-CD1 4.06Å; M146-L150 HydrophobicContact CG-CG 4.35Å; M146-L150 WeakPolarHBondContact O-CB 3.44Å; M146-L150 WeakPolarHBondContact O-CG 3.33Å; M146-L150 PolarHBondContact O-N 3.39Å; M146-L150 HydrophobicContact SD-CG 4.35Å; M146-M180 HydrophobicContact CE-CE 3.83Å; M146-M180 HydrophobicContact CE-SD 4.34Å; M146-A183 HydrophobicContact CE-CB 3.84Å; M146-A183 HydrophobicContact SD-CB 4.12Å; M146-T187 WeakPolarHBondContact CA-OG1 3.45Å; M146-T187 HydrophobicContact CB-CG2 4.07Å; M146-T187 HydrophobicContact SD-CG2 4.42Å; M146-T187 PolarHBondContact SD-OG1 3.45Å; M146-T187 VanDerWaalsContact SD-OG1 3.36Å; M146-F420 HydrophobicContact CB-CE2 3.79Å; M146-F420 HydrophobicContact CB-CZ 3.93Å; M146-F420 HydrophobicContact CG-CE2 4.12Å; M146-F420 HydrophobicContact CG-CZ 3.94Å; M146-F420 HydrophobicContact SD-CZ 4.21Å; M146-E424 HydrophobicContact CE-CB 3.87Å; M146-E424 HydrophobicContact CG-CB 3.82Å; M146-E424 HydrophobicContact SD-CB 4.49Å
147M94.9Very high90.2Very high0 Ų038.3 Ų38.30%020%0.203CC..Hα-helixtrans-64.2-41179.2-168.950.9119.600112.4I143 E144 T145 Q151 L303 L305 Q427 L431I143-M147 PolarHBondContact O-N 3.43Å; E144-M147 WeakPolarHBondContact O-CB 3.28Å; E144-M147 PolarHBondContact O-N 2.89Å; T145-M147 VanDerWaalsContact C-N 3.33Å; T145-M147 PolarHBondContact O-N 3.35Å; M147-Q151 WeakPolarHBondContact O-CG 3.46Å; M147-Q151 PolarHBondContact O-N 2.8Å; M147-Q151 VanDerWaalsContact O-N 3.14Å; M147-Q151 PolarHBondContact O-NE2 3.42Å; M147-L303 VanDerWaalsContact CE-O 3.28Å; M147-L303 WeakPolarHBondContact CE-O 3.49Å; M147-L303 WeakPolarHBondContact CG-O 3.37Å; M147-L305 HydrophobicContact CE-CB 4.29Å; M147-L305 HydrophobicContact CE-CD1 4.12Å; M147-L305 HydrophobicContact CE-CG 4.18Å; M147-Q427 HydrophobicContact CE-CB 3.87Å; M147-Q427 HydrophobicContact CE-CG 3.62Å; M147-Q427 HydrophobicContact SD-CB 3.83Å; M147-Q427 HydrophobicContact SD-CG 3.92Å; M147-L431 HydrophobicContact SD-CD1 3.97Å; M147-L431 HydrophobicContact SD-CD2 4.27Å; M147-L431 HydrophobicContact SD-CG 4.2Å
148G91.9Very high88.8Confident8 Ų837.2 Ų37.28%0.08220%0.203CC..Hα-helixtrans-60.6-51.1173.800000111.7E144 T145 M146 L150 Q151 D152E144-G148 PolarHBondContact O-N 2.85Å; T145-G148 PolarHBondContact O-N 3.48Å; M146-G148 PolarHBondContact O-N 3.46Å; G148-L150 PolarHBondContact O-N 3.36Å; G148-Q151 PolarHBondContact O-N 3.46Å; G148-D152 PolarHBondContact O-N 2.86Å
149H92.6Very high87.2Confident41 Ų4145.8 Ų45.819%0.1923%0.233CC..Hα-helixtrans-65.4-37.5179.9-66.5148000113.4T145 M146 Q151 D152 V153 A183 L186 T187T145-H149 WeakPolarHBondContact CG2-CE1 3.46Å; T145-H149 PolarHBondContact O-N 3.11Å; T145-H149 PolarHBondContact O-ND1 3.45Å; M146-H149 PolarHBondContact O-N 2.88Å; H149-Q151 VanDerWaalsContact C-N 3.33Å; H149-Q151 PolarHBondContact O-N 2.68Å; H149-D152 PolarHBondContact O-N 2.94Å; H149-V153 WeakPolarHBondContact O-CB 3.1Å; H149-V153 VanDerWaalsContact O-CG2 3.23Å; H149-V153 WeakPolarHBondContact O-CG2 3.41Å; H149-V153 PolarHBondContact O-N 3.24Å; H149-A183 HydrophobicContact CB-CB 4.06Å; H149-L186 HydrophobicContact CB-CB 4.3Å; H149-L186 HydrophobicContact CB-CD1 4.44Å; H149-L186 VanDerWaalsContact CE1-C 3.42Å; H149-T187 WeakPolarHBondContact ND1-CA 3.41Å; H149-T187 PolarHBondContact ND1-N 3.39Å; H149-T187 VanDerWaalsContact ND1-N 3.19Å; H149-T187 PolarHBondContact ND1-OG1 2.89Å
150L93Very high85.6Confident0 Ų045.9 Ų45.90%023%0.234CC..Hα-helixtrans-60-45.3174-79.3170.5000111M146 G148 V153 M154 V179 M180 A183 Q427 F428 L431M146-L150 HydrophobicContact CE-CD1 3.92Å; M146-L150 HydrophobicContact CE-CD2 3.8Å; M146-L150 HydrophobicContact CE-CG 3.72Å; M146-L150 HydrophobicContact CG-CD1 4.06Å; M146-L150 HydrophobicContact CG-CG 4.35Å; M146-L150 WeakPolarHBondContact O-CB 3.44Å; M146-L150 WeakPolarHBondContact O-CG 3.33Å; M146-L150 PolarHBondContact O-N 3.39Å; M146-L150 HydrophobicContact SD-CG 4.35Å; G148-L150 PolarHBondContact O-N 3.36Å; L150-V153 PolarHBondContact O-N 3.34Å; L150-M154 HydrophobicContact CB-SD 4.43Å; L150-M154 HydrophobicContact CD2-SD 4.4Å; L150-M154 VanDerWaalsContact O-CB 3.23Å; L150-M154 WeakPolarHBondContact O-CB 3.16Å; L150-M154 WeakPolarHBondContact O-CG 3.47Å; L150-M154 PolarHBondContact O-N 2.87Å; L150-V179 HydrophobicContact CD2-CG1 3.8Å; L150-M180 HydrophobicContact CD2-SD 3.91Å; L150-A183 HydrophobicContact CD2-CB 3.73Å; L150-A183 HydrophobicContact CG-CB 3.97Å; L150-Q427 HydrophobicContact CD1-CB 3.68Å; L150-F428 HydrophobicContact CD1-CB 4.38Å; L150-F428 HydrophobicContact CD2-CB 4.43Å; L150-F428 HydrophobicContact CD2-CD2 4.29Å; L150-L431 HydrophobicContact CB-CD1 3.47Å; L150-L431 VanDerWaalsContact CB-CD1 3.47Å; L150-L431 HydrophobicContact CD1-CD1 4.26Å; L150-L431 HydrophobicContact CG-CD1 4.44Å
151Q91.3Very high83.8Confident11 Ų1144.4 Ų44.45%0.05122%0.224CC..Hα-helixtrans-64.9-42.6176.9-76.2169.896.300112M147 G148 H149 V153 M154 L155 L303 L431M147-Q151 WeakPolarHBondContact O-CG 3.46Å; M147-Q151 PolarHBondContact O-N 2.8Å; M147-Q151 VanDerWaalsContact O-N 3.14Å; M147-Q151 PolarHBondContact O-NE2 3.42Å; G148-Q151 PolarHBondContact O-N 3.46Å; H149-Q151 VanDerWaalsContact C-N 3.33Å; H149-Q151 PolarHBondContact O-N 2.68Å; Q151-V153 PolarHBondContact O-N 3.24Å; Q151-M154 PolarHBondContact O-N 2.78Å; Q151-L155 HydrophobicContact CB-CD1 4.25Å; Q151-L155 HydrophobicContact CG-CD1 4.2Å; Q151-L155 WeakPolarHBondContact O-CA 3.21Å; Q151-L155 WeakPolarHBondContact O-CB 3.23Å; Q151-L155 WeakPolarHBondContact O-CG 3.25Å; Q151-L155 PolarHBondContact O-N 2.87Å; Q151-L303 PolarHBondContact NE2-O 3.25Å; Q151-L431 HydrophobicContact CG-CD1 3.98Å; Q151-L431 HydrophobicContact CG-CD2 3.61Å; Q151-L431 HydrophobicContact CG-CG 4.48Å
152D87.6Confident82.1Confident60 Ų6041.4 Ų41.432%0.32120%0.203SC..Iπ-helixtrans-61-45.7177.3-71-21000111.4G148 H149 K156 S157G148-D152 PolarHBondContact O-N 2.86Å; H149-D152 PolarHBondContact O-N 2.94Å; D152-K156 CarbonylContact O-C 3.58Å; D152-K156 WeakPolarHBondContact O-CA 3.41Å; D152-K156 WeakPolarHBondContact O-CB 3.33Å; D152-K156 PolarHBondContact O-N 2.85Å; D152-K156 WeakPolarHBondContact OD1-CD 3.42Å; D152-K156 WeakPolarHBondContact OD1-CE 3.26Å; D152-K156 IonicContact OD1-NZ 3.73Å; D152-K156 PolarHBondContact OD1-NZ 3.23Å; D152-S157 PolarHBondContact O-N 3.41Å
153V87.8Confident80.5Confident3 Ų343.7 Ų43.72%0.01822%0.22CC..Iπ-helixtrans-68.1-43.1179.9172.90000111.9H149 L150 Q151 S157 L160 V179 E182 A183 L186H149-V153 WeakPolarHBondContact O-CB 3.1Å; H149-V153 VanDerWaalsContact O-CG2 3.23Å; H149-V153 WeakPolarHBondContact O-CG2 3.41Å; H149-V153 PolarHBondContact O-N 3.24Å; L150-V153 PolarHBondContact O-N 3.34Å; Q151-V153 PolarHBondContact O-N 3.24Å; V153-S157 VanDerWaalsContact O-CB 3.22Å; V153-S157 WeakPolarHBondContact O-CB 3.38Å; V153-L160 HydrophobicContact CG1-CD1 3.63Å; V153-L160 WeakPolarHBondContact O-CD1 3.25Å; V153-V179 HydrophobicContact CG1-CB 4.45Å; V153-V179 HydrophobicContact CG1-CG1 4.3Å; V153-V179 HydrophobicContact CG1-CG2 4.45Å; V153-E182 HydrophobicContact CG1-CB 4.18Å; V153-E182 HydrophobicContact CG1-CG 4.45Å; V153-E182 HydrophobicContact CG2-CB 4.05Å; V153-E182 HydrophobicContact CG2-CG 3.78Å; V153-A183 HydrophobicContact CG2-CB 4.37Å; V153-L186 HydrophobicContact CG2-CD1 4.24Å
154M86.4Confident79.1Confident1 Ų149.2 Ų49.21%0.00525%0.246CC..Iπ-helixtrans-81.3-31.6-175.5-64.8171.871.900113.3L150 Q151 V179 F428 L431 M432 F436L150-M154 HydrophobicContact CB-SD 4.43Å; L150-M154 HydrophobicContact CD2-SD 4.4Å; L150-M154 VanDerWaalsContact O-CB 3.23Å; L150-M154 WeakPolarHBondContact O-CB 3.16Å; L150-M154 WeakPolarHBondContact O-CG 3.47Å; L150-M154 PolarHBondContact O-N 2.87Å; Q151-M154 PolarHBondContact O-N 2.78Å; M154-V179 HydrophobicContact CG-CG1 3.52Å; M154-V179 HydrophobicContact CG-CG2 4.17Å; M154-V179 HydrophobicContact SD-CG1 3.84Å; M154-F428 HydrophobicContact CE-CD2 4.41Å; M154-F428 HydrophobicContact CE-CE2 4.36Å; M154-F428 HydrophobicContact SD-CD2 4.17Å; M154-F428 HydrophobicContact SD-CE2 4.49Å; M154-L431 HydrophobicContact CE-CB 3.81Å; M154-L431 HydrophobicContact SD-CB 3.93Å; M154-L431 HydrophobicContact SD-CD1 3.79Å; M154-M432 HydrophobicContact CE-CG 4.01Å; M154-M432 HydrophobicContact CE-SD 3.28Å; M154-M432 WeakPolarHBondContact CE-SD 3.49Å; M154-F436 HydrophobicContact CE-CD2 4.44Å; M154-F436 HydrophobicContact CE-CE2 3.86Å
155L83.3Confident77.9Confident31 Ų3150.1 Ų50.116%0.16225%0.254CS..Iπ-helixtrans-114.6-23.7-168.2-51.6177.2000114.4Q151 S161 Y435 F436 R472Q151-L155 HydrophobicContact CB-CD1 4.25Å; Q151-L155 HydrophobicContact CG-CD1 4.2Å; Q151-L155 WeakPolarHBondContact O-CA 3.21Å; Q151-L155 WeakPolarHBondContact O-CB 3.23Å; Q151-L155 WeakPolarHBondContact O-CG 3.25Å; Q151-L155 PolarHBondContact O-N 2.87Å; L155-S161 PolarHBondContact O-OG 2.99Å; L155-S161 VanDerWaalsContact O-OG 3.09Å; L155-Y435 HydrophobicContact CD1-CD1 4.37Å; L155-Y435 HydrophobicContact CD1-CD2 3.89Å; L155-Y435 HydrophobicContact CD1-CE1 4.11Å; L155-Y435 HydrophobicContact CD1-CE2 3.58Å; L155-Y435 HydrophobicContact CD1-CG 4.27Å; L155-Y435 HydrophobicContact CD2-CD1 4.23Å; L155-Y435 HydrophobicContact CD2-CD2 4Å; L155-Y435 HydrophobicContact CD2-CG 3.82Å; L155-F436 HydrophobicContact CD2-CE2 4.17Å; L155-F436 HydrophobicContact CD2-CZ 4.13Å; L155-R472 VanDerWaalsContact C-NH2 3.26Å; L155-R472 VanDerWaalsContact CA-NH2 3.26Å; L155-R472 PolarHBondContact O-NH2 3.06Å
156K76.8Confident77.4Confident135 Ų13554.3 Ų54.359%0.58727%0.271SS*.Iπ-helixtrans-114.9-21.5-176.1-56.7-178.5-169.4157.80113.6D152 D158D152-K156 CarbonylContact O-C 3.58Å; D152-K156 WeakPolarHBondContact O-CA 3.41Å; D152-K156 WeakPolarHBondContact O-CB 3.33Å; D152-K156 PolarHBondContact O-N 2.85Å; D152-K156 WeakPolarHBondContact OD1-CD 3.42Å; D152-K156 WeakPolarHBondContact OD1-CE 3.26Å; D152-K156 IonicContact OD1-NZ 3.73Å; D152-K156 PolarHBondContact OD1-NZ 3.23Å; K156-D158 PolarHBondContact O-N 3Å
157S68.6Low77.2Confident23 Ų2358.5 Ų58.516%0.16129%0.287CS..  trans-69.8121.4179.3-173.20000111.4D152 V153 R159 L160 S161D152-S157 PolarHBondContact O-N 3.41Å; V153-S157 VanDerWaalsContact O-CB 3.22Å; V153-S157 WeakPolarHBondContact O-CB 3.38Å; S157-R159 PolarHBondContact O-N 2.99Å; S157-L160 PolarHBondContact O-N 3.49Å; S157-S161 WeakPolarHBondContact O-CB 3.36Å; S157-S161 PolarHBondContact O-N 2.91Å; S157-S161 PolarHBondContact O-OG 2.88Å
158D61.1Low77Confident161 Ų16161.3 Ų61.386%0.86130%0.3SS*.THydrogen-bonded Turntrans-54.5-18.9174.4-64.3-31.5000113.4K156K156-D158 PolarHBondContact O-N 3Å
159R60.2Low77.1Confident192 Ų19265.2 Ų65.273%0.72532%0.322SS*.THydrogen-bonded Turntrans-79.3-21.5180-62.8-178.2178.8175.40.2114.1S157S157-R159 PolarHBondContact O-N 2.99Å
160L60.5Low77.2Confident3 Ų364.9 Ų64.92%0.01632%0.322CS..THydrogen-bonded Turntrans-130.2-18.7-170.8-81.7170.4000113V153 S157 P162 F175 K178 V179V153-L160 HydrophobicContact CG1-CD1 3.63Å; V153-L160 WeakPolarHBondContact O-CD1 3.25Å; S157-L160 PolarHBondContact O-N 3.49Å; L160-P162 WeakPolarHBondContact O-CD 3.17Å; L160-F175 HydrophobicContact CD2-CD2 4.04Å; L160-F175 HydrophobicContact CD2-CE2 3.85Å; L160-K178 HydrophobicContact CD1-CD 4.15Å; L160-K178 HydrophobicContact CD1-CG 4.42Å; L160-K178 HydrophobicContact CD2-CD 3.8Å; L160-K178 HydrophobicContact CG-CD 3.99Å; L160-V179 HydrophobicContact CD1-CG2 3.69Å
161S57.3Low77.3Confident31 Ų3165.1 Ų65.122%0.21732%0.324CS..  trans-64.6110.3176-71.80000110.7L155 S157 R472L155-S161 PolarHBondContact O-OG 2.99Å; L155-S161 VanDerWaalsContact O-OG 3.09Å; S157-S161 WeakPolarHBondContact O-CB 3.36Å; S157-S161 PolarHBondContact O-N 2.91Å; S157-S161 PolarHBondContact O-OG 2.88Å; S161-R472 PolarHBondContact OG-NH2 2.69Å
162P57.9Low77.6Confident5 Ų564.6 Ų64.63%0.03232%0.322CS..  trans-69.3144.7168.9-1129.9000110L160 E164 Q168 F436 Y470 R472L160-P162 WeakPolarHBondContact O-CD 3.17Å; P162-E164 PolarHBondContact O-N 3.15Å; P162-Q168 VanDerWaalsContact CA-NE2 3.26Å; P162-Q168 HydrophobicContact CB-CG 4.17Å; P162-F436 HydrophobicContact CG-CE1 3.93Å; P162-Y470 HydrophobicContact CG-CD2 4.12Å; P162-Y470 HydrophobicContact CG-CE2 3.85Å; P162-R472 HydrophobicContact CB-CG 4.47Å; P162-R472 HydrophobicContact CG-CG 4.11Å
163S61.5Low78Confident60 Ų6063.3 Ų63.342%0.4231%0.313SS..  trans-55.8139.615856.90000108.2D165 Q166S163-D165 PolarHBondContact O-N 3.25Å; S163-Q166 PolarHBondContact O-N 3.44Å; S163-Q166 VanDerWaalsContact OG-CB 3.31Å; S163-Q166 WeakPolarHBondContact OG-CB 3.47Å; S163-Q166 WeakPolarHBondContact OG-CG 3.46Å
164E64.6Low78.3Confident120 Ų12065 Ų6556%0.56133%0.327SS*.THydrogen-bonded Turntrans-56.4-16.4-167.2-72.2178160.800114.8P162P162-E164 PolarHBondContact O-N 3.15Å
165D68.9Low78.6Confident122 Ų12265 Ų6565%0.65233%0.327SS*.THydrogen-bonded Turntrans-121.75.4-176-59.5-41.1000116S163S163-D165 PolarHBondContact O-N 3.25Å
166Q84.4Confident79.1Confident133 Ų13363.6 Ų63.662%0.62132%0.32SS*.  trans-114.7127.8-175.9-60.9-169.6-12.500113.6S163 Q168S163-Q166 PolarHBondContact O-N 3.44Å; S163-Q166 VanDerWaalsContact OG-CB 3.31Å; S163-Q166 WeakPolarHBondContact OG-CB 3.47Å; S163-Q166 WeakPolarHBondContact OG-CG 3.46Å; Q166-Q168 PolarHBondContact O-N 2.91Å
167W91Very high79.8Confident89 Ų8962.3 Ų62.334%0.33731%0.312SS..  trans-63.1125.4165.9-73.8101.9000110.5D437 E439 R469 Y470 K471W167-D437 HydrophobicContact CH2-CB 3.67Å; W167-D437 HydrophobicContact CZ2-CB 4.23Å; W167-D437 HydrophobicContact CZ3-CB 4.34Å; W167-D437 WeakPolarHBondContact CZ3-O 3.3Å; W167-E439 HydrophobicContact CH2-CG 4.11Å; W167-R469 HydrophobicContact CD2-CB 4.48Å; W167-R469 HydrophobicContact CD2-CG 4.16Å; W167-R469 HydrophobicContact CE3-CB 3.71Å; W167-R469 HydrophobicContact CE3-CG 3.49Å; W167-R469 VanDerWaalsContact CE3-CG 3.49Å; W167-R469 HydrophobicContact CZ3-CB 4.28Å; W167-R469 HydrophobicContact CZ3-CG 3.73Å; W167-R469 WeakPolarHBondContact CZ3-O 3.28Å; W167-Y470 VanDerWaalsContact CE3-C 3.41Å; W167-K471 HydrophobicContact CD2-CB 3.98Å; W167-K471 HydrophobicContact CD2-CD 4.14Å; W167-K471 HydrophobicContact CD2-CG 3.86Å; W167-K471 HydrophobicContact CE3-CB 4.01Å; W167-K471 HydrophobicContact CE3-CG 3.99Å; W167-K471 HydrophobicContact CG-CB 4.32Å; W167-K471 HydrophobicContact CG-CD 4.48Å; W167-K471 HydrophobicContact CH2-CG 4.06Å; W167-K471 HydrophobicContact CZ2-CD 4.03Å; W167-K471 HydrophobicContact CZ2-CG 3.89Å; W167-K471 HydrophobicContact CZ3-CB 4.49Å; W167-K471 HydrophobicContact CZ3-CG 4.1Å
168Q91.1Very high80.7Confident58 Ų5864.7 Ų64.727%0.27132%0.319SS..EExtended strand (participates in β ladder)trans-101.4147.6169.4-62.8-167.7-8.800109.9P162 Q166 R469 Y470P162-Q168 VanDerWaalsContact CA-NE2 3.26Å; P162-Q168 HydrophobicContact CB-CG 4.17Å; Q166-Q168 PolarHBondContact O-N 2.91Å; Q168-R469 CarbonylContact O-C 3.57Å; Q168-R469 WeakPolarHBondContact O-CA 3.35Å; Q168-R469 WeakPolarHBondContact O-CB 3.44Å; Q168-Y470 HydrophobicContact CB-CE1 4.1Å; Q168-Y470 HydrophobicContact CB-CE2 4.15Å; Q168-Y470 PolarHBondContact N-O 3.07Å; Q168-Y470 PolarHBondContact O-N 3.44Å; Q168-Y470 PolarHBondContact OE1-OH 3.49Å
169V93.9Very high82.1Confident91 Ų9157 Ų5755%0.55228%0.278SS*.EExtended strand (participates in β ladder)trans-109.21311731740000108.5L441 F468 R469V169-L441 HydrophobicContact CG1-CD1 3.63Å; V169-L441 HydrophobicContact CG1-CG 4.48Å; V169-L441 HydrophobicContact CG2-CD1 4.14Å; V169-L441 HydrophobicContact CG2-CD2 4.2Å; V169-F468 WeakPolarHBondContact CA-O 3.46Å; V169-R469 HydrophobicContact CG2-CB 4.3Å
170D94Very high83.7Confident34 Ų3447.9 Ų47.918%0.18224%0.244CC..EExtended strand (participates in β ladder)trans-146.5169.5171.4-155.6-15.3000108.5K178 D467 F468 Y470D170-K178 IonicContact OD2-NZ 2.64Å; D170-K178 PolarHBondContact OD2-NZ 3.32Å; D170-D467 WeakPolarHBondContact O-CA 3.42Å; D170-F468 HydrophobicContact CB-CE1 4.24Å; D170-F468 PolarHBondContact N-O 3.06Å; D170-F468 VanDerWaalsContact N-O 3.13Å; D170-F468 VanDerWaalsContact O-CD1 3.29Å; D170-F468 WeakPolarHBondContact O-CD1 3.4Å; D170-F468 PolarHBondContact O-N 2.86Å; D170-F468 VanDerWaalsContact O-O 3.1Å; D170-Y470 HydrophobicContact CB-CE1 3.87Å
171G96.4Very high85.1Confident5 Ų549.9 Ų49.95%0.05225%0.252CS..EExtended strand (participates in β ladder)trans-80.5135.9166.200000110.1F173 A174 F175 D465G171-F173 VanDerWaalsContact C-N 3.29Å; G171-F173 PolarHBondContact O-N 3.4Å; G171-A174 PolarHBondContact O-N 2.65Å; G171-F175 VanDerWaalsContact O-CB 3.25Å; G171-F175 WeakPolarHBondContact O-CB 3.35Å; G171-F175 PolarHBondContact O-N 3.07Å; G171-D465 WeakPolarHBondContact CA-OD2 3.3Å
172I97.3Very high86.4Confident0 Ų049.7 Ų49.70%025%0.248CC..Hα-helixtrans-59-43.1-179.9-62.4170.6000110.3F175 C176 F264 L267 F268 I271 L440 D465 V466 F468I172-F175 PolarHBondContact O-N 3.13Å; I172-C176 WeakPolarHBondContact O-CB 3.07Å; I172-C176 PolarHBondContact O-N 3.39Å; I172-C176 PolarHBondContact O-SG 3.04Å; I172-F264 HydrophobicContact CB-CD2 3.93Å; I172-F264 HydrophobicContact CB-CE2 3.88Å; I172-F264 HydrophobicContact CG2-CD2 3.58Å; I172-F264 HydrophobicContact CG2-CE2 3.95Å; I172-L267 HydrophobicContact CG2-CB 4.4Å; I172-L267 HydrophobicContact CG2-CD2 3.88Å; I172-L267 HydrophobicContact CG2-CG 4.19Å; I172-F268 HydrophobicContact CD1-CB 4.39Å; I172-F268 HydrophobicContact CD1-CD2 4.09Å; I172-I271 HydrophobicContact CD1-CD1 4.46Å; I172-L440 HydrophobicContact CD1-CD2 3.68Å; I172-D465 PolarHBondContact N-OD1 3.13Å; I172-V466 HydrophobicContact CD1-CB 4.22Å; I172-V466 HydrophobicContact CD1-CG1 4.11Å; I172-V466 WeakPolarHBondContact CG1-O 3.5Å; I172-V466 PolarHBondContact N-O 2.95Å; I172-F468 HydrophobicContact CB-CD1 4.31Å; I172-F468 HydrophobicContact CD1-CB 4.03Å; I172-F468 HydrophobicContact CD1-CG 4.31Å; I172-F468 HydrophobicContact CG1-CB 3.69Å; I172-F468 HydrophobicContact CG1-CD1 3.44Å; I172-F468 VanDerWaalsContact CG1-CD1 3.44Å; I172-F468 HydrophobicContact CG1-CD2 4.27Å; I172-F468 HydrophobicContact CG1-CE1 4.12Å; I172-F468 HydrophobicContact CG1-CG 3.54Å
173F95.5Very high87.7Confident33 Ų3349.5 Ų49.515%0.14525%0.247CC..Hα-helixtrans-67.8-45179.9-172.3-101.4000110.5G171 F175 C176 Y177 P261 F264 Q461 P462 D465G171-F173 VanDerWaalsContact C-N 3.29Å; G171-F173 PolarHBondContact O-N 3.4Å; F173-F175 PolarHBondContact O-N 3.48Å; F173-C176 PolarHBondContact O-N 2.86Å; F173-Y177 HydrophobicContact CE1-CD2 4.1Å; F173-Y177 HydrophobicContact CZ-CD2 4.29Å; F173-Y177 WeakPolarHBondContact O-CB 3.45Å; F173-Y177 PolarHBondContact O-N 3.07Å; F173-P261 HydrophobicContact CE2-CB 4.24Å; F173-F264 HydrophobicContact CB-CD2 3.57Å; F173-F264 HydrophobicContact CB-CE2 3.88Å; F173-F264 HydrophobicContact CB-CG 4.2Å; F173-F264 HydrophobicContact CD2-CB 3.75Å; F173-F264 HydrophobicContact CD2-CD1 4.28Å; F173-F264 HydrophobicContact CD2-CD2 4.02Å; F173-F264 AromaticContact CD2-CG 3.74Å; F173-F264 HydrophobicContact CD2-CG 3.74Å; F173-F264 HydrophobicContact CE2-CB 4.48Å; F173-F264 HydrophobicContact CG-CD2 4.31Å; F173-F264 HydrophobicContact CG-CG 4.47Å; F173-Q461 HydrophobicContact CE2-CB 4.5Å; F173-Q461 HydrophobicContact CE2-CG 4.14Å; F173-Q461 HydrophobicContact CZ-CB 4.42Å; F173-Q461 HydrophobicContact CZ-CG 3.92Å; F173-P462 HydrophobicContact CB-CG 4.32Å; F173-P462 HydrophobicContact CD2-CG 3.97Å; F173-P462 HydrophobicContact CG-CG 4.16Å; F173-D465 WeakPolarHBondContact CA-OD1 3.29Å; F173-D465 HydrophobicContact CB-CB 4.45Å; F173-D465 WeakPolarHBondContact CB-OD1 3.29Å; F173-D465 PolarHBondContact N-OD1 2.82Å; F173-D465 PolarHBondContact N-OD2 3.5Å
174A93.1Very high88.7Confident38 Ų3846.6 Ų46.631%0.31423%0.227SC..Hα-helixtrans-59.1-44174.700000112.4G171 Y177 K178 D465G171-A174 PolarHBondContact O-N 2.65Å; A174-Y177 PolarHBondContact O-N 3.45Å; A174-K178 WeakPolarHBondContact O-CB 3.45Å; A174-K178 PolarHBondContact O-N 2.99Å; A174-D465 WeakPolarHBondContact CB-OD2 3.46Å; A174-D465 PolarHBondContact N-OD2 2.89Å
175F93Very high89.5Confident2 Ų240.9 Ų40.91%0.00920%0.2CC..Hα-helixtrans-62.6-53.1176.4179.9-88.9000111.6L160 G171 I172 F173 Y177 K178 V179 F428 M432 F468 Y470L160-F175 HydrophobicContact CD2-CD2 4.04Å; L160-F175 HydrophobicContact CD2-CE2 3.85Å; G171-F175 VanDerWaalsContact O-CB 3.25Å; G171-F175 WeakPolarHBondContact O-CB 3.35Å; G171-F175 PolarHBondContact O-N 3.07Å; I172-F175 PolarHBondContact O-N 3.13Å; F173-F175 PolarHBondContact O-N 3.48Å; F175-Y177 VanDerWaalsContact C-N 3.28Å; F175-Y177 PolarHBondContact O-N 2.82Å; F175-K178 PolarHBondContact O-N 3.17Å; F175-V179 HydrophobicContact CD1-CG2 4.31Å; F175-V179 HydrophobicContact CE1-CG2 3.9Å; F175-V179 HydrophobicContact CE2-CG2 4.24Å; F175-V179 HydrophobicContact CZ-CG2 3.87Å; F175-V179 WeakPolarHBondContact O-CG2 3.47Å; F175-V179 PolarHBondContact O-N 2.98Å; F175-F428 HydrophobicContact CD1-CE2 4.45Å; F175-F428 HydrophobicContact CD1-CZ 4.14Å; F175-F428 AromaticContact CE1-CE2 3.9Å; F175-F428 HydrophobicContact CE1-CE2 3.9Å; F175-F428 AromaticContact CE1-CZ 3.81Å; F175-F428 HydrophobicContact CE1-CZ 3.81Å; F175-M432 HydrophobicContact CD1-CE 4.5Å; F175-M432 HydrophobicContact CE1-CE 3.67Å; F175-M432 HydrophobicContact CE1-SD 3.51Å; F175-M432 VanDerWaalsContact CE1-SD 3.51Å; F175-M432 HydrophobicContact CZ-CE 3.95Å; F175-M432 HydrophobicContact CZ-SD 3.81Å; F175-F468 HydrophobicContact CB-CE1 3.93Å; F175-F468 HydrophobicContact CB-CZ 4.21Å; F175-F468 HydrophobicContact CD1-CZ 4.08Å; F175-F468 HydrophobicContact CD2-CZ 4.22Å; F175-F468 HydrophobicContact CG-CE1 4.12Å; F175-F468 AromaticContact CG-CZ 3.9Å; F175-F468 HydrophobicContact CG-CZ 3.9Å; F175-Y470 AromaticContact CD2-CE1 3.9Å; F175-Y470 HydrophobicContact CD2-CE1 3.9Å; F175-Y470 AromaticContact CD2-CZ 3.9Å; F175-Y470 HydrophobicContact CE2-CE1 4.06Å; F175-Y470 AromaticContact CE2-CE2 3.96Å; F175-Y470 HydrophobicContact CE2-CE2 3.96Å; F175-Y470 AromaticContact CE2-CZ 3.73Å
176C94.4Very high90.1Very high0 Ų036.6 Ų36.60%018%0.177CC..Hα-helixtrans-57.9-42.1176.2-74.20000111.4I172 F173 M180 T263 F264I172-C176 WeakPolarHBondContact O-CB 3.07Å; I172-C176 PolarHBondContact O-N 3.39Å; I172-C176 PolarHBondContact O-SG 3.04Å; F173-C176 PolarHBondContact O-N 2.86Å; C176-M180 WeakPolarHBondContact O-CB 3.4Å; C176-M180 WeakPolarHBondContact O-CG 3.37Å; C176-M180 PolarHBondContact O-N 2.97Å; C176-T263 HydrophobicContact CB-CG2 4.33Å; C176-F264 HydrophobicContact CB-CB 4.5Å
177Y90.7Very high89.8Confident108 Ų10830.3 Ų30.342%0.42415%0.148SC..Hα-helixtrans-59.3-51.6177.5-163.3-70.5000110.5F173 A174 F175 F181 L260F173-Y177 HydrophobicContact CE1-CD2 4.1Å; F173-Y177 HydrophobicContact CZ-CD2 4.29Å; F173-Y177 WeakPolarHBondContact O-CB 3.45Å; F173-Y177 PolarHBondContact O-N 3.07Å; A174-Y177 PolarHBondContact O-N 3.45Å; F175-Y177 VanDerWaalsContact C-N 3.28Å; F175-Y177 PolarHBondContact O-N 2.82Å; Y177-F181 HydrophobicContact CD1-CB 4.23Å; Y177-F181 HydrophobicContact CE1-CB 4.23Å; Y177-F181 HydrophobicContact CE1-CD2 4.33Å; Y177-F181 HydrophobicContact CE1-CG 4.23Å; Y177-F181 WeakPolarHBondContact O-CB 3.34Å; Y177-F181 PolarHBondContact O-N 2.75Å; Y177-L260 HydrophobicContact CD1-CD1 4.38Å; Y177-L260 HydrophobicContact CD2-CD1 3.55Å; Y177-L260 HydrophobicContact CE1-CD1 4.3Å; Y177-L260 HydrophobicContact CE2-CD1 3.46Å; Y177-L260 VanDerWaalsContact CE2-CD1 3.46Å; Y177-L260 HydrophobicContact CG-CD1 4.01Å
178K88.9Confident88.9Confident73 Ų7326.3 Ų26.332%0.31713%0.133SC..Hα-helixtrans-58.5-53.5-178.8-162.3-174-38162.50111.1L160 D170 A174 F175 E182L160-K178 HydrophobicContact CD1-CD 4.15Å; L160-K178 HydrophobicContact CD1-CG 4.42Å; L160-K178 HydrophobicContact CD2-CD 3.8Å; L160-K178 HydrophobicContact CG-CD 3.99Å; D170-K178 IonicContact OD2-NZ 2.64Å; D170-K178 PolarHBondContact OD2-NZ 3.32Å; A174-K178 WeakPolarHBondContact O-CB 3.45Å; A174-K178 PolarHBondContact O-N 2.99Å; F175-K178 PolarHBondContact O-N 3.17Å; K178-E182 VanDerWaalsContact O-CB 3.22Å; K178-E182 WeakPolarHBondContact O-CB 3.16Å; K178-E182 PolarHBondContact O-N 3.11Å; K178-E182 VanDerWaalsContact O-N 3.14Å
179V90.4Very high88.1Confident0 Ų023.5 Ų23.50%012%0.12CC..Hα-helixtrans-66.2-55.3-1761760000111.7L150 V153 M154 L160 F175 E182 A183 F428L150-V179 HydrophobicContact CD2-CG1 3.8Å; V153-V179 HydrophobicContact CG1-CB 4.45Å; V153-V179 HydrophobicContact CG1-CG1 4.3Å; V153-V179 HydrophobicContact CG1-CG2 4.45Å; M154-V179 HydrophobicContact CG-CG1 3.52Å; M154-V179 HydrophobicContact CG-CG2 4.17Å; M154-V179 HydrophobicContact SD-CG1 3.84Å; L160-V179 HydrophobicContact CD1-CG2 3.69Å; F175-V179 HydrophobicContact CD1-CG2 4.31Å; F175-V179 HydrophobicContact CE1-CG2 3.9Å; F175-V179 HydrophobicContact CE2-CG2 4.24Å; F175-V179 HydrophobicContact CZ-CG2 3.87Å; F175-V179 WeakPolarHBondContact O-CG2 3.47Å; F175-V179 PolarHBondContact O-N 2.98Å; V179-E182 PolarHBondContact O-N 3.28Å; V179-A183 WeakPolarHBondContact O-CB 3.47Å; V179-A183 PolarHBondContact O-N 3.24Å; V179-F428 HydrophobicContact CB-CE2 4.07Å; V179-F428 HydrophobicContact CG1-CD2 3.86Å; V179-F428 HydrophobicContact CG1-CE2 3.81Å
180M92.8Very high86.5Confident0 Ų020.2 Ų20.20%010%0.102CC..Hα-helixtrans-71.2-34.6-172.9-65.5-62.8-62.600112.1M146 L150 C176 G184 Q256 T259 L260 T263 E424 F428M146-M180 HydrophobicContact CE-CE 3.83Å; M146-M180 HydrophobicContact CE-SD 4.34Å; L150-M180 HydrophobicContact CD2-SD 3.91Å; C176-M180 WeakPolarHBondContact O-CB 3.4Å; C176-M180 WeakPolarHBondContact O-CG 3.37Å; C176-M180 PolarHBondContact O-N 2.97Å; M180-G184 WeakPolarHBondContact O-CA 3.07Å; M180-G184 PolarHBondContact O-N 3.27Å; M180-Q256 PolarHBondContact O-OE1 3.26Å; M180-T259 HydrophobicContact CE-CG2 3.52Å; M180-L260 HydrophobicContact CB-CD2 3.38Å; M180-L260 HydrophobicContact CG-CD2 4.45Å; M180-T263 HydrophobicContact CG-CG2 3.84Å; M180-T263 HydrophobicContact SD-CG2 4.14Å; M180-E424 HydrophobicContact CE-CB 4.09Å; M180-E424 HydrophobicContact CE-CG 3.79Å; M180-F428 HydrophobicContact CG-CD2 4.26Å; M180-F428 HydrophobicContact SD-CB 3.66Å; M180-F428 HydrophobicContact SD-CD2 3.64Å; M180-F428 HydrophobicContact SD-CE2 4.49Å; M180-F428 HydrophobicContact SD-CG 3.75Å
181F89.2Confident84.7Confident45 Ų4519.6 Ų19.620%0.19710%0.103CC..Hα-helixtrans-66.6-46.6175.3-177.4-93.5000110.9Y177 Y185 P193 L252 Q256 L260Y177-F181 HydrophobicContact CD1-CB 4.23Å; Y177-F181 HydrophobicContact CE1-CB 4.23Å; Y177-F181 HydrophobicContact CE1-CD2 4.33Å; Y177-F181 HydrophobicContact CE1-CG 4.23Å; Y177-F181 WeakPolarHBondContact O-CB 3.34Å; Y177-F181 PolarHBondContact O-N 2.75Å; F181-Y185 HydrophobicContact CE1-CD2 4.42Å; F181-Y185 HydrophobicContact CZ-CD2 4.15Å; F181-Y185 WeakPolarHBondContact O-CB 3.43Å; F181-Y185 PolarHBondContact O-N 3.32Å; F181-P193 HydrophobicContact CE1-CG 4.39Å; F181-L252 HydrophobicContact CE2-CD1 4.4Å; F181-L252 HydrophobicContact CE2-CD2 4.33Å; F181-L252 HydrophobicContact CZ-CD2 4.39Å; F181-Q256 HydrophobicContact CD2-CB 4.49Å; F181-Q256 HydrophobicContact CD2-CG 4.08Å; F181-Q256 HydrophobicContact CE2-CG 4.45Å; F181-L260 HydrophobicContact CB-CD2 4.37Å
182E85.5Confident82.8Confident28 Ų2822.6 Ų22.613%0.13112%0.118CC..Hα-helixtrans-63.4-53-179.7-164.4171.6153.800111V153 K178 V179 Y185 L186 L192V153-E182 HydrophobicContact CG1-CB 4.18Å; V153-E182 HydrophobicContact CG1-CG 4.45Å; V153-E182 HydrophobicContact CG2-CB 4.05Å; V153-E182 HydrophobicContact CG2-CG 3.78Å; K178-E182 VanDerWaalsContact O-CB 3.22Å; K178-E182 WeakPolarHBondContact O-CB 3.16Å; K178-E182 PolarHBondContact O-N 3.11Å; K178-E182 VanDerWaalsContact O-N 3.14Å; V179-E182 PolarHBondContact O-N 3.28Å; E182-Y185 PolarHBondContact O-N 3Å; E182-L186 HydrophobicContact CG-CD1 4.38Å; E182-L186 WeakPolarHBondContact O-CB 3.14Å; E182-L186 VanDerWaalsContact O-CG 3.29Å; E182-L186 WeakPolarHBondContact O-CG 3.49Å; E182-L186 PolarHBondContact O-N 2.94Å; E182-L192 HydrophobicContact CG-CD1 3.92Å; E182-L192 HydrophobicContact CG-CD2 3.56Å; E182-L192 HydrophobicContact CG-CG 4.38Å
183A85.6Confident80.9Confident0 Ų023.9 Ų23.90%013%0.127CC..Hα-helixtrans-64.2-44.2179.600000112.4M146 H149 L150 V153 V179 L186 T187M146-A183 HydrophobicContact CE-CB 3.84Å; M146-A183 HydrophobicContact SD-CB 4.12Å; H149-A183 HydrophobicContact CB-CB 4.06Å; L150-A183 HydrophobicContact CD2-CB 3.73Å; L150-A183 HydrophobicContact CG-CB 3.97Å; V153-A183 HydrophobicContact CG2-CB 4.37Å; V179-A183 WeakPolarHBondContact O-CB 3.47Å; V179-A183 PolarHBondContact O-N 3.24Å; A183-L186 PolarHBondContact O-N 3.27Å; A183-T187 WeakPolarHBondContact O-CB 3.24Å; A183-T187 PolarHBondContact O-N 3.1Å; A183-T187 PolarHBondContact O-OG1 2.77Å
184G82.8Confident78.4Confident0 Ų029.3 Ų29.30%016%0.156CC..Hα-helixtrans-68.5-35.1179.100000113.2M180 L188M180-G184 WeakPolarHBondContact O-CA 3.07Å; M180-G184 PolarHBondContact O-N 3.27Å; G184-L188 WeakPolarHBondContact O-CG 3.23Å; G184-L188 PolarHBondContact O-N 3.45Å; G184-L188 VanDerWaalsContact O-N 3.15Å
185Y81.7Confident76.2Confident0 Ų033.4 Ų33.40%017%0.168CC..Hα-helixtrans-66.8-45.3173.6-169.5-69.6000110.7F181 E182 T187 L188 F189 G191 P193 M211 L252F181-Y185 HydrophobicContact CE1-CD2 4.42Å; F181-Y185 HydrophobicContact CZ-CD2 4.15Å; F181-Y185 WeakPolarHBondContact O-CB 3.43Å; F181-Y185 PolarHBondContact O-N 3.32Å; E182-Y185 PolarHBondContact O-N 3Å; Y185-T187 VanDerWaalsContact C-N 3.34Å; Y185-T187 PolarHBondContact O-N 2.74Å; Y185-L188 PolarHBondContact O-N 2.86Å; Y185-F189 HydrophobicContact CD1-CB 4.14Å; Y185-F189 HydrophobicContact CD2-CD2 4.47Å; Y185-F189 HydrophobicContact CE1-CB 3.87Å; Y185-F189 HydrophobicContact CG-CD2 4.46Å; Y185-F189 WeakPolarHBondContact O-CB 3.48Å; Y185-F189 PolarHBondContact O-N 3.3Å; Y185-G191 WeakPolarHBondContact CD1-O 3.4Å; Y185-G191 WeakPolarHBondContact CE1-O 3.49Å; Y185-P193 HydrophobicContact CE2-CG 4.22Å; Y185-M211 HydrophobicContact CE2-CE 3.77Å; Y185-L252 HydrophobicContact CD2-CD1 3.62Å; Y185-L252 HydrophobicContact CD2-CD2 3.82Å; Y185-L252 HydrophobicContact CD2-CG 4.39Å; Y185-L252 HydrophobicContact CE2-CD1 4.28Å; Y185-L252 HydrophobicContact CE2-CD2 3.77Å; Y185-L252 HydrophobicContact CG-CD1 4.42Å
186L79.6Confident73.7Confident31 Ų3140.5 Ų40.516%0.16221%0.211CC..Hα-helixtrans-58.3-46.2175.6-73.8169000111.3H149 V153 E182 A183 L188 A190 L192H149-L186 HydrophobicContact CB-CB 4.3Å; H149-L186 HydrophobicContact CB-CD1 4.44Å; H149-L186 VanDerWaalsContact CE1-C 3.42Å; V153-L186 HydrophobicContact CG2-CD1 4.24Å; E182-L186 HydrophobicContact CG-CD1 4.38Å; E182-L186 WeakPolarHBondContact O-CB 3.14Å; E182-L186 VanDerWaalsContact O-CG 3.29Å; E182-L186 WeakPolarHBondContact O-CG 3.49Å; E182-L186 PolarHBondContact O-N 2.94Å; A183-L186 PolarHBondContact O-N 3.27Å; L186-L188 PolarHBondContact O-N 2.87Å; L186-A190 VanDerWaalsContact O-CA 3.27Å; L186-A190 WeakPolarHBondContact O-CA 3.38Å; L186-A190 PolarHBondContact O-N 2.89Å; L186-L192 HydrophobicContact CD2-CD2 4.2Å; L186-L192 HydrophobicContact CD2-CG 4.2Å; L186-L192 HydrophobicContact CG-CD2 4.03Å
187T79.8Confident71.4Confident1 Ų143.5 Ų43.51%0.00622%0.224CC..Hα-helixtrans-62.1-38.8-179.1-62.30000113.3L142 T145 M146 H149 A183 Y185 F420L142-T187 HydrophobicContact CD1-CG2 3.57Å; L142-T187 HydrophobicContact CG-CG2 4.16Å; T145-T187 HydrophobicContact CG2-CG2 4.11Å; M146-T187 WeakPolarHBondContact CA-OG1 3.45Å; M146-T187 HydrophobicContact CB-CG2 4.07Å; M146-T187 HydrophobicContact SD-CG2 4.42Å; M146-T187 PolarHBondContact SD-OG1 3.45Å; M146-T187 VanDerWaalsContact SD-OG1 3.36Å; H149-T187 WeakPolarHBondContact ND1-CA 3.41Å; H149-T187 PolarHBondContact ND1-N 3.39Å; H149-T187 VanDerWaalsContact ND1-N 3.19Å; H149-T187 PolarHBondContact ND1-OG1 2.89Å; A183-T187 WeakPolarHBondContact O-CB 3.24Å; A183-T187 PolarHBondContact O-N 3.1Å; A183-T187 PolarHBondContact O-OG1 2.77Å; Y185-T187 VanDerWaalsContact C-N 3.34Å; Y185-T187 PolarHBondContact O-N 2.74Å; T187-F420 HydrophobicContact CG2-CZ 4Å
188L72.1Confident68.8Low5 Ų548.5 Ų48.53%0.02625%0.248CC..Hα-helixtrans-85.1-43.4-178.5-67.8172.9000112.7L142 G184 Y185 L186 S223 L225 I226 S255L142-L188 HydrophobicContact CD1-CD2 4.31Å; G184-L188 WeakPolarHBondContact O-CG 3.23Å; G184-L188 PolarHBondContact O-N 3.45Å; G184-L188 VanDerWaalsContact O-N 3.15Å; Y185-L188 PolarHBondContact O-N 2.86Å; L186-L188 PolarHBondContact O-N 2.87Å; L188-S223 PolarHBondContact O-N 3.49Å; L188-S223 PolarHBondContact O-OG 3.39Å; L188-L225 HydrophobicContact CD2-CD2 4.39Å; L188-I226 HydrophobicContact CB-CG1 4.47Å; L188-I226 WeakPolarHBondContact O-CG1 3.42Å; L188-S255 VanDerWaalsContact CD1-CB 3.44Å; L188-S255 WeakPolarHBondContact CD1-OG 3.45Å
189F74.3Confident67.4Low0 Ų048.1 Ų48.10%025%0.254CS..Hα-helixtrans-119.5-5.2-164.4-63.3-84.2000115Y185 M211 L216 R219 I226 H248 L252Y185-F189 HydrophobicContact CD1-CB 4.14Å; Y185-F189 HydrophobicContact CD2-CD2 4.47Å; Y185-F189 HydrophobicContact CE1-CB 3.87Å; Y185-F189 HydrophobicContact CG-CD2 4.46Å; Y185-F189 WeakPolarHBondContact O-CB 3.48Å; Y185-F189 PolarHBondContact O-N 3.3Å; F189-M211 HydrophobicContact CD1-CE 4.29Å; F189-M211 HydrophobicContact CD2-CE 4.35Å; F189-M211 HydrophobicContact CE1-CE 3.95Å; F189-M211 HydrophobicContact CE1-SD 4.22Å; F189-M211 HydrophobicContact CE2-CE 4.03Å; F189-M211 HydrophobicContact CG-CE 4.48Å; F189-M211 HydrophobicContact CZ-CE 3.81Å; F189-M211 HydrophobicContact CZ-SD 4.4Å; F189-L216 HydrophobicContact CD1-CD2 4.28Å; F189-R219 WeakPolarHBondContact O-CD 3.46Å; F189-R219 PolarHBondContact O-NH1 3.5Å; F189-I226 HydrophobicContact CD1-CD1 3.95Å; F189-I226 HydrophobicContact CD1-CG1 3.79Å; F189-I226 HydrophobicContact CD1-CG2 4.06Å; F189-I226 HydrophobicContact CE1-CD1 3.3Å; F189-I226 HydrophobicContact CE1-CG1 3.7Å; F189-I226 HydrophobicContact CE1-CG2 4.28Å; F189-I226 HydrophobicContact CE2-CD1 4.44Å; F189-I226 HydrophobicContact CG-CG1 4.36Å; F189-I226 HydrophobicContact CZ-CD1 3.6Å; F189-I226 HydrophobicContact CZ-CG1 4.2Å; F189-H248 HydrophobicContact CE1-CB 3.95Å; F189-H248 HydrophobicContact CZ-CB 4.49Å; F189-L252 HydrophobicContact CD2-CD1 4.44Å; F189-L252 HydrophobicContact CE2-CB 3.89Å; F189-L252 HydrophobicContact CE2-CD1 3.95Å; F189-L252 HydrophobicContact CE2-CG 4.48Å; F189-L252 HydrophobicContact CZ-CB 4.12Å
190A59.1Low66.2Low22 Ų2252.4 Ų52.418%0.18229%0.29CS..SBendtrans55.758175.900000117.6L186 R219 H220 M222L186-A190 VanDerWaalsContact O-CA 3.27Å; L186-A190 WeakPolarHBondContact O-CA 3.38Å; L186-A190 PolarHBondContact O-N 2.89Å; A190-R219 HydrophobicContact CB-CB 4.17Å; A190-R219 WeakPolarHBondContact O-CD 3.28Å; A190-H220 WeakPolarHBondContact CB-O 2.84Å; A190-M222 HydrophobicContact CB-CG 3.98Å
191G56.7Low65Low20 Ų2059.7 Ų59.721%0.20632%0.318CS..SBendtrans164.3-177.6172.300000111.6Y185Y185-G191 WeakPolarHBondContact CD1-O 3.4Å; Y185-G191 WeakPolarHBondContact CE1-O 3.49Å
192L55.9Low64.3Low68 Ų6859.4 Ų59.436%0.35632%0.322SS..  trans-120.4146.9176.5-67.2177.7000113.5E182 L186E182-L192 HydrophobicContact CG-CD1 3.92Å; E182-L192 HydrophobicContact CG-CD2 3.56Å; E182-L192 HydrophobicContact CG-CG 4.38Å; L186-L192 HydrophobicContact CD2-CD2 4.2Å; L186-L192 HydrophobicContact CD2-CG 4.2Å; L186-L192 HydrophobicContact CG-CD2 4.03Å
193P57Low63.8Low28 Ų2859 Ų5918%0.18232%0.324CS..  trans-71.8126.5167.728.5-29.8000110.1F181 Y185 H195 L207F181-P193 HydrophobicContact CE1-CG 4.39Å; Y185-P193 HydrophobicContact CE2-CG 4.22Å; P193-H195 VanDerWaalsContact C-N 3.33Å; P193-H195 PolarHBondContact O-N 2.86Å; P193-L207 HydrophobicContact CB-CD2 4.48Å
194I43.4Very low63.4Low147 Ų14761.6 Ų61.675%0.75433%0.333SS*.  trans-82.9-1.4-168.9-59.7174000113.1
195H47.7Very low63.4Low124 Ų12463 Ų6357%0.57434%0.34SS*.  trans-131.1141.3-164-56.8-38.8000115.4P193 F197P193-H195 VanDerWaalsContact C-N 3.33Å; P193-H195 PolarHBondContact O-N 2.86Å; H195-F197 HydrophobicContact CB-CE1 3.91Å; H195-F197 HydrophobicContact CB-CZ 4.47Å; H195-F197 WeakPolarHBondContact O-CE1 3.22Å; H195-F197 WeakPolarHBondContact O-CE2 3.4Å; H195-F197 WeakPolarHBondContact O-CZ 3.5Å
196V40.2Very low63.4Low151 Ų15165 Ų6592%0.91535%0.351SS*.  trans-86.6138.2170-179.50000109.6
197F46.6Very low63.6Low63 Ų6364.8 Ų64.828%0.27635%0.35SS..  trans-111.9139.8-168.8-51.1-59.5000113.6H195 A203 N206 L207H195-F197 HydrophobicContact CB-CE1 3.91Å; H195-F197 HydrophobicContact CB-CZ 4.47Å; H195-F197 WeakPolarHBondContact O-CE1 3.22Å; H195-F197 WeakPolarHBondContact O-CE2 3.4Å; H195-F197 WeakPolarHBondContact O-CZ 3.5Å; F197-A203 HydrophobicContact CB-CB 3.62Å; F197-A203 HydrophobicContact CD2-CB 3.57Å; F197-A203 HydrophobicContact CE2-CB 4.39Å; F197-A203 HydrophobicContact CG-CB 3.67Å; F197-N206 HydrophobicContact CD1-CB 3.84Å; F197-N206 WeakPolarHBondContact CD1-ND2 3.33Å; F197-N206 HydrophobicContact CE1-CB 3.27Å; F197-N206 HydrophobicContact CZ-CB 3.98Å; F197-L207 HydrophobicContact CE2-CG 4.42Å
198K36.6Very low63.8Low213 Ų21364.9 Ų64.993%0.92635%0.351SS*.SBendtrans-82.8-20.9-177.3-65.9-175.5178.6-1780114.8
199S59.7Low64.6Low64 Ų6470.4 Ų70.445%0.44837%0.374SS..SBendtrans-155.2160.5179.474.20000111.9Y201 S202 A203S199-Y201 VanDerWaalsContact C-N 3.34Å; S199-Y201 PolarHBondContact O-N 3.45Å; S199-S202 PolarHBondContact O-N 3.49Å; S199-S202 WeakPolarHBondContact OG-CB 3.35Å; S199-S202 PolarHBondContact OG-N 3.06Å; S199-A203 WeakPolarHBondContact O-CB 3.47Å; S199-A203 PolarHBondContact O-N 2.95Å
200A63.3Low65.2Low90 Ų9071.8 Ų71.874%0.74438%0.383SS*.Hα-helixtrans-60.6-39179.400000113.2A203 R204A200-A203 PolarHBondContact O-N 3.17Å; A200-R204 WeakPolarHBondContact O-CB 3.21Å; A200-R204 PolarHBondContact O-N 2.86Å
201Y68.5Low66.7Low153 Ų15370.8 Ų70.860%0.637%0.374SS*.Hα-helixtrans-64-48.2174.5178.2-95.5000111.2S199 A203 R204 E205S199-Y201 VanDerWaalsContact C-N 3.34Å; S199-Y201 PolarHBondContact O-N 3.45Å; Y201-A203 VanDerWaalsContact C-N 3.32Å; Y201-A203 PolarHBondContact O-N 3.06Å; Y201-R204 PolarHBondContact O-N 3.36Å; Y201-E205 HydrophobicContact CD1-CG 4.31Å; Y201-E205 HydrophobicContact CE1-CG 3.84Å; Y201-E205 HydrophobicContact CE2-CG 4.18Å; Y201-E205 PolarHBondContact O-N 3.37Å
202S74.9Confident68.4Low39 Ų3972 Ų7227%0.27337%0.374SS..Hα-helixtrans-63-39.4178.1-179.80000111.9S199 E205 N206S199-S202 PolarHBondContact O-N 3.49Å; S199-S202 WeakPolarHBondContact OG-CB 3.35Å; S199-S202 PolarHBondContact OG-N 3.06Å; S202-E205 PolarHBondContact O-N 3.38Å; S202-N206 VanDerWaalsContact O-CB 3.28Å; S202-N206 WeakPolarHBondContact O-CB 3.11Å; S202-N206 PolarHBondContact O-N 3.37Å; S202-N206 PolarHBondContact O-ND2 2.9Å; S202-N206 PolarHBondContact OG-ND2 2.85Å
203A74.6Confident70.1Confident20 Ų2070.4 Ų70.417%0.16537%0.371CS..Hα-helixtrans-59.6-46.9174.200000111.3F197 S199 A200 Y201 N206 L207F197-A203 HydrophobicContact CB-CB 3.62Å; F197-A203 HydrophobicContact CD2-CB 3.57Å; F197-A203 HydrophobicContact CE2-CB 4.39Å; F197-A203 HydrophobicContact CG-CB 3.67Å; S199-A203 WeakPolarHBondContact O-CB 3.47Å; S199-A203 PolarHBondContact O-N 2.95Å; A200-A203 PolarHBondContact O-N 3.17Å; Y201-A203 VanDerWaalsContact C-N 3.32Å; Y201-A203 PolarHBondContact O-N 3.06Å; A203-N206 PolarHBondContact O-N 3.46Å; A203-L207 WeakPolarHBondContact O-CB 3.29Å; A203-L207 VanDerWaalsContact O-CG 3.27Å; A203-L207 WeakPolarHBondContact O-CG 3.2Å; A203-L207 PolarHBondContact O-N 3.04Å
204R76.4Confident71.7Confident54 Ų5475.2 Ų75.220%0.20439%0.391CS..Hα-helixtrans-60.5-49.3178.2-170.1-172.575.2158.86.6112.2A109 F110 A200 Y201 N206 L207 A208 V249A109-R204 PolarHBondContact O-NH1 2.93Å; F110-R204 VanDerWaalsContact C-NH1 3.33Å; F110-R204 PolarHBondContact O-NH1 3.5Å; A200-R204 WeakPolarHBondContact O-CB 3.21Å; A200-R204 PolarHBondContact O-N 2.86Å; Y201-R204 PolarHBondContact O-N 3.36Å; R204-N206 VanDerWaalsContact C-N 3.34Å; R204-N206 PolarHBondContact O-N 3.34Å; R204-L207 PolarHBondContact O-N 3.19Å; R204-A208 PolarHBondContact O-N 3.46Å; R204-V249 HydrophobicContact CG-CG1 4.29Å
205E82.8Confident74Confident31 Ų3171 Ų7115%0.14537%0.37CS..Hα-helixtrans-67.3-35.6-179.5-61.9-50127.300112Y201 S202 A208 K209 R246Y201-E205 HydrophobicContact CD1-CG 4.31Å; Y201-E205 HydrophobicContact CE1-CG 3.84Å; Y201-E205 HydrophobicContact CE2-CG 4.18Å; Y201-E205 PolarHBondContact O-N 3.37Å; S202-E205 PolarHBondContact O-N 3.38Å; E205-A208 PolarHBondContact O-N 2.94Å; E205-K209 WeakPolarHBondContact O-CG 3.4Å; E205-K209 PolarHBondContact O-N 3.35Å; E205-R246 IonicContact OE1-CZ 2.63Å; E205-R246 IonicContact OE1-NE 2.85Å; E205-R246 IonicContact OE1-NH2 3.77Å; E205-R246 PolarHBondContact OE1-NH2 3.37Å; E205-R246 IonicContact OE2-CZ 3.12Å; E205-R246 IonicContact OE2-NE 2.76Å; E205-R246 IonicContact OE2-NH2 3.77Å; E205-R246 PolarHBondContact OE2-NH2 2.81Å
206N82.5Confident76.1Confident41 Ų4165 Ų6522%0.21934%0.343CS..Hα-helixtrans-72.1-39176.4-71.7-35.3000112.5F197 S202 A203 R204 A208 K209 T210F197-N206 HydrophobicContact CD1-CB 3.84Å; F197-N206 WeakPolarHBondContact CD1-ND2 3.33Å; F197-N206 HydrophobicContact CE1-CB 3.27Å; F197-N206 HydrophobicContact CZ-CB 3.98Å; S202-N206 VanDerWaalsContact O-CB 3.28Å; S202-N206 WeakPolarHBondContact O-CB 3.11Å; S202-N206 PolarHBondContact O-N 3.37Å; S202-N206 PolarHBondContact O-ND2 2.9Å; S202-N206 PolarHBondContact OG-ND2 2.85Å; A203-N206 PolarHBondContact O-N 3.46Å; R204-N206 VanDerWaalsContact C-N 3.34Å; R204-N206 PolarHBondContact O-N 3.34Å; N206-A208 VanDerWaalsContact C-N 3.3Å; N206-A208 PolarHBondContact O-N 2.99Å; N206-K209 WeakPolarHBondContact O-CB 3.48Å; N206-K209 PolarHBondContact O-N 3.41Å; N206-K209 VanDerWaalsContact O-N 3.16Å; N206-T210 WeakPolarHBondContact O-CG2 3.44Å; N206-T210 PolarHBondContact O-N 3.35Å; N206-T210 VanDerWaalsContact O-N 3.08Å
207L84.1Confident78.4Confident27 Ų2761.6 Ų61.614%0.14133%0.325CS..Hα-helixtrans-58.7-45.1170.8-75.9169.7000110.6P193 F197 A203 R204 K209 T210 M211 V249 L252P193-L207 HydrophobicContact CB-CD2 4.48Å; F197-L207 HydrophobicContact CE2-CG 4.42Å; A203-L207 WeakPolarHBondContact O-CB 3.29Å; A203-L207 VanDerWaalsContact O-CG 3.27Å; A203-L207 WeakPolarHBondContact O-CG 3.2Å; A203-L207 PolarHBondContact O-N 3.04Å; R204-L207 PolarHBondContact O-N 3.19Å; L207-K209 VanDerWaalsContact C-N 3.3Å; L207-K209 PolarHBondContact O-N 2.92Å; L207-T210 PolarHBondContact O-N 3.05Å; L207-T210 VanDerWaalsContact O-N 3.13Å; L207-T210 PolarHBondContact O-OG1 3.01Å; L207-M211 WeakPolarHBondContact O-CG 3.45Å; L207-M211 PolarHBondContact O-N 3.21Å; L207-M211 VanDerWaalsContact O-N 3.14Å; L207-V249 HydrophobicContact CB-CG2 4.04Å; L207-L252 HydrophobicContact CD1-CD2 4.4Å; L207-L252 HydrophobicContact CD2-CD2 4.09Å
208A84.3Confident80.6Confident3 Ų364.4 Ų64.43%0.02534%0.337CS..Hα-helixtrans-57.5-43.5174.600000111.4R204 E205 N206 T210 M211 H212 A245 R246 V249R204-A208 PolarHBondContact O-N 3.46Å; E205-A208 PolarHBondContact O-N 2.94Å; N206-A208 VanDerWaalsContact C-N 3.3Å; N206-A208 PolarHBondContact O-N 2.99Å; A208-T210 VanDerWaalsContact C-N 3.31Å; A208-T210 PolarHBondContact O-N 3.34Å; A208-M211 CarbonylContact O-C 3.53Å; A208-M211 WeakPolarHBondContact O-CA 3.2Å; A208-M211 PolarHBondContact O-N 2.97Å; A208-H212 PolarHBondContact O-N 3.49Å; A208-A245 HydrophobicContact CB-CB 4.33Å; A208-A245 VanDerWaalsContact O-CB 3.32Å; A208-A245 WeakPolarHBondContact O-CB 3.43Å; A208-R246 HydrophobicContact CB-CG 4.1Å; A208-V249 HydrophobicContact CB-CG2 4Å
209K88.4Confident83Confident121 Ų12156.2 Ų56.253%0.52630%0.301SS..Hα-helixtrans-57.2-43.1175.9-72.5173-174.1174.80112.8E205 N206 L207 M211 H212 N215E205-K209 WeakPolarHBondContact O-CG 3.4Å; E205-K209 PolarHBondContact O-N 3.35Å; N206-K209 WeakPolarHBondContact O-CB 3.48Å; N206-K209 PolarHBondContact O-N 3.41Å; N206-K209 VanDerWaalsContact O-N 3.16Å; L207-K209 VanDerWaalsContact C-N 3.3Å; L207-K209 PolarHBondContact O-N 2.92Å; K209-M211 PolarHBondContact O-N 3.48Å; K209-H212 PolarHBondContact O-CD2 2.93Å; K209-H212 PolarHBondContact O-N 2.98Å; K209-N215 PolarHBondContact O-ND2 3.19Å
210T86.8Confident84.3Confident29 Ų2960.6 Ų60.618%0.17831%0.314CS..Hα-helixtrans-67.9-19177.665.60000113.5N206 L207 A208N206-T210 WeakPolarHBondContact O-CG2 3.44Å; N206-T210 PolarHBondContact O-N 3.35Å; N206-T210 VanDerWaalsContact O-N 3.08Å; L207-T210 PolarHBondContact O-N 3.05Å; L207-T210 VanDerWaalsContact O-N 3.13Å; L207-T210 PolarHBondContact O-OG1 3.01Å; A208-T210 VanDerWaalsContact C-N 3.31Å; A208-T210 PolarHBondContact O-N 3.34Å
211M91.4Very high85.5Confident0 Ų063.5 Ų63.50%032%0.317CS..THydrogen-bonded Turntrans-105.512-177.1-65.5179.6174.600113.6Y185 F189 L207 A208 K209 L216 A245 H248 V249 L252Y185-M211 HydrophobicContact CE2-CE 3.77Å; F189-M211 HydrophobicContact CD1-CE 4.29Å; F189-M211 HydrophobicContact CD2-CE 4.35Å; F189-M211 HydrophobicContact CE1-CE 3.95Å; F189-M211 HydrophobicContact CE1-SD 4.22Å; F189-M211 HydrophobicContact CE2-CE 4.03Å; F189-M211 HydrophobicContact CG-CE 4.48Å; F189-M211 HydrophobicContact CZ-CE 3.81Å; F189-M211 HydrophobicContact CZ-SD 4.4Å; L207-M211 WeakPolarHBondContact O-CG 3.45Å; L207-M211 PolarHBondContact O-N 3.21Å; L207-M211 VanDerWaalsContact O-N 3.14Å; A208-M211 CarbonylContact O-C 3.53Å; A208-M211 WeakPolarHBondContact O-CA 3.2Å; A208-M211 PolarHBondContact O-N 2.97Å; K209-M211 PolarHBondContact O-N 3.48Å; M211-L216 HydrophobicContact CB-CD1 4.44Å; M211-L216 WeakPolarHBondContact O-CD1 3.49Å; M211-A245 HydrophobicContact CB-CB 4.41Å; M211-H248 HydrophobicContact CB-CB 4.07Å; M211-H248 HydrophobicContact CG-CB 4.33Å; M211-H248 HydrophobicContact SD-CB 3.7Å; M211-V249 HydrophobicContact SD-CB 4.35Å; M211-V249 HydrophobicContact SD-CG2 3.67Å; M211-V249 PolarHBondContact SD-N 3.3Å; M211-V249 VanDerWaalsContact SD-N 3.41Å; M211-L252 HydrophobicContact CE-CB 3.87Å; M211-L252 HydrophobicContact CE-CD2 3.62Å; M211-L252 HydrophobicContact CE-CG 4.27Å
212H92.4Very high86.6Confident45 Ų4557.7 Ų57.721%0.20830%0.296CS..SBendtrans-60.2145.9167.2-82.1-65.4000110.9A208 K209 E214 N215 L216 D241A208-H212 PolarHBondContact O-N 3.49Å; K209-H212 PolarHBondContact O-CD2 2.93Å; K209-H212 PolarHBondContact O-N 2.98Å; H212-E214 PolarHBondContact O-N 3.44Å; H212-N215 WeakPolarHBondContact O-CA 3.49Å; H212-N215 PolarHBondContact O-N 3.38Å; H212-L216 PolarHBondContact O-N 3.32Å; H212-D241 PolarHBondContact ND1-O 3Å
213A90.7Very high87.5Confident36 Ų3656.4 Ų56.430%0.29829%0.286SS..Hα-helixtrans-53.9-39-179.800000112.3N215 L216 S217A213-N215 VanDerWaalsContact C-N 3.26Å; A213-N215 PolarHBondContact O-N 3.44Å; A213-L216 PolarHBondContact O-N 3.13Å; A213-S217 VanDerWaalsContact O-CB 3.29Å; A213-S217 WeakPolarHBondContact O-CB 3.28Å; A213-S217 PolarHBondContact O-N 3.47Å; A213-S217 PolarHBondContact O-OG 2.85Å; A213-S217 VanDerWaalsContact O-OG 3.1Å
214E91.1Very high88.5Confident128 Ų12859.7 Ų59.760%0.59830%0.301SS*.Hα-helixtrans-60.6-31.9175.7-163-147.9136.300113.5H212 S217 K218H212-E214 PolarHBondContact O-N 3.44Å; E214-S217 PolarHBondContact O-OG 2.99Å; E214-K218 WeakPolarHBondContact O-CD 3.39Å; E214-K218 WeakPolarHBondContact O-CE 3.47Å; E214-K218 WeakPolarHBondContact O-CG 3.11Å; E214-K218 IonicContact OE1-NZ 3.79Å; E214-K218 PolarHBondContact OE1-NZ 2.71Å
215N91.4Very high89.4Confident58 Ų5857.6 Ų57.631%0.3129%0.294SS..Hα-helixtrans-87.1-37.5178.6-70.6-34.8000111.6K209 H212 A213 K218K209-N215 PolarHBondContact O-ND2 3.19Å; H212-N215 WeakPolarHBondContact O-CA 3.49Å; H212-N215 PolarHBondContact O-N 3.38Å; A213-N215 VanDerWaalsContact C-N 3.26Å; A213-N215 PolarHBondContact O-N 3.44Å; N215-K218 PolarHBondContact O-N 3.08Å
216L90.8Very high90.1Very high0 Ų056.1 Ų56.10%029%0.287CS..Hα-helixtrans-68.8-37.2177.2-67.5-179.3000111.9F189 M211 H212 A213 K218 R219 M222 I226 M230F189-L216 HydrophobicContact CD1-CD2 4.28Å; M211-L216 HydrophobicContact CB-CD1 4.44Å; M211-L216 WeakPolarHBondContact O-CD1 3.49Å; H212-L216 PolarHBondContact O-N 3.32Å; A213-L216 PolarHBondContact O-N 3.13Å; L216-K218 PolarHBondContact O-N 3.16Å; L216-R219 WeakPolarHBondContact O-CB 3.2Å; L216-R219 PolarHBondContact O-N 3.41Å; L216-M222 HydrophobicContact CB-SD 4.03Å; L216-M222 HydrophobicContact CD2-SD 4.45Å; L216-M222 WeakPolarHBondContact O-CE 3.37Å; L216-I226 HydrophobicContact CD1-CG2 4.37Å; L216-M230 HydrophobicContact CB-CE 3.78Å; L216-M230 HydrophobicContact CB-SD 3.71Å; L216-M230 HydrophobicContact CD1-CG 4.39Å; L216-M230 HydrophobicContact CD1-SD 3.91Å; L216-M230 HydrophobicContact CG-SD 4.47Å
217S89.7Confident90.7Very high78 Ų7856 Ų5655%0.54529%0.289SS..THydrogen-bonded Turntrans-64.7-19.5178.5640000113.9A213 E214 R219A213-S217 VanDerWaalsContact O-CB 3.29Å; A213-S217 WeakPolarHBondContact O-CB 3.28Å; A213-S217 PolarHBondContact O-N 3.47Å; A213-S217 PolarHBondContact O-OG 2.85Å; A213-S217 VanDerWaalsContact O-OG 3.1Å; E214-S217 PolarHBondContact O-OG 2.99Å; S217-R219 VanDerWaalsContact C-N 3.27Å
218K91.3Very high91.2Very high122 Ų12257.9 Ų57.953%0.5330%0.298SS..THydrogen-bonded Turntrans-79.9-8.1174.1-63.4167.6-171.7161.30112.7E214 N215 L216E214-K218 WeakPolarHBondContact O-CD 3.39Å; E214-K218 WeakPolarHBondContact O-CE 3.47Å; E214-K218 WeakPolarHBondContact O-CG 3.11Å; E214-K218 IonicContact OE1-NZ 3.79Å; E214-K218 PolarHBondContact OE1-NZ 2.71Å; N215-K218 PolarHBondContact O-N 3.08Å; L216-K218 PolarHBondContact O-N 3.16Å
219R88.9Confident91.8Very high42 Ų4257.8 Ų57.816%0.15830%0.297CS..  trans-96.3136.7-177.1-56.2-178.1179.5-162.4-7.3110.3F189 A190 L216 S217 M222F189-R219 WeakPolarHBondContact O-CD 3.46Å; F189-R219 PolarHBondContact O-NH1 3.5Å; A190-R219 HydrophobicContact CB-CB 4.17Å; A190-R219 WeakPolarHBondContact O-CD 3.28Å; L216-R219 WeakPolarHBondContact O-CB 3.2Å; L216-R219 PolarHBondContact O-N 3.41Å; S217-R219 VanDerWaalsContact C-N 3.27Å; R219-M222 HydrophobicContact CB-CG 4.13Å; R219-M222 HydrophobicContact CB-SD 4.3Å
220H86.7Confident92.2Very high156 Ų15653.3 Ų53.372%0.72228%0.278SS*.SBendtrans-100.4149.5177.4-56.6-65.4000109.9A190A190-H220 WeakPolarHBondContact CB-O 2.84Å
221N87.4Confident92.7Very high150 Ų15056.8 Ų56.880%0.80230%0.295SS*.SBendtrans64.436.8178.6-49.8-31.6000115
222M91.8Very high92.9Very high32 Ų3257.7 Ų57.716%0.15830%0.3CS..  trans-67.5146.8168.7-67.5-174.1-69.800111.1A190 L216 R219 I226 M230A190-M222 HydrophobicContact CB-CG 3.98Å; L216-M222 HydrophobicContact CB-SD 4.03Å; L216-M222 HydrophobicContact CD2-SD 4.45Å; L216-M222 WeakPolarHBondContact O-CE 3.37Å; R219-M222 HydrophobicContact CB-CG 4.13Å; R219-M222 HydrophobicContact CB-SD 4.3Å; M222-I226 HydrophobicContact SD-CG2 4.05Å; M222-M230 HydrophobicContact CE-CE 4.46Å; M222-M230 HydrophobicContact CE-SD 3.86Å; M222-M230 HydrophobicContact SD-SD 4.1Å
223S94.4Very high93.1Very high11 Ų1155.6 Ų55.68%0.07729%0.29CS..  trans-58.3149.7175.764.50000112.5L188 L225 I226 S227L188-S223 PolarHBondContact O-N 3.49Å; L188-S223 PolarHBondContact O-OG 3.39Å; S223-L225 PolarHBondContact O-N 2.81Å; S223-L225 VanDerWaalsContact O-N 3.1Å; S223-I226 PolarHBondContact O-N 3.47Å; S223-I226 PolarHBondContact OG-N 2.91Å; S223-S227 PolarHBondContact O-N 3.07Å; S223-S227 PolarHBondContact O-OG 3.26Å
224D94.8Very high93.4Very high90 Ų9058.6 Ų58.648%0.48130%0.301SS..Hα-helixtrans-52.5-33.7173-72.7-13.3000112.2T133 M228T133-D224 HydrophobicContact CG2-CB 4.24Å; D224-M228 WeakPolarHBondContact O-CB 3.08Å; D224-M228 PolarHBondContact O-N 3.1Å
225L96.3Very high93.6Very high10 Ų1056.1 Ų56.15%0.05230%0.298CS..Hα-helixtrans-58.7-52.2174.9172.661.2000111.7F130 T133 L134 L188 S223 R229 L251F130-L225 HydrophobicContact CD1-CD1 3.71Å; F130-L225 HydrophobicContact CE1-CD1 4.02Å; T133-L225 WeakPolarHBondContact OG1-CD1 3.41Å; L134-L225 HydrophobicContact CD1-CD2 4.24Å; L134-L225 HydrophobicContact CD2-CD2 4Å; L134-L225 HydrophobicContact CG-CD2 4.26Å; L188-L225 HydrophobicContact CD2-CD2 4.39Å; S223-L225 PolarHBondContact O-N 2.81Å; S223-L225 VanDerWaalsContact O-N 3.1Å; L225-R229 HydrophobicContact CD1-CG 4.07Å; L225-R229 VanDerWaalsContact O-CB 3.28Å; L225-R229 WeakPolarHBondContact O-CB 3.33Å; L225-R229 WeakPolarHBondContact O-CG 3.46Å; L225-R229 PolarHBondContact O-N 3.39Å; L225-L251 HydrophobicContact CD1-CD1 4.38Å; L225-L251 HydrophobicContact CD2-CD1 4.41Å; L225-L251 HydrophobicContact CG-CD1 4.33Å
226I95.9Very high93.8Very high0 Ų056.6 Ų56.60%030%0.3CS..Hα-helixtrans-71.8-43.2-177.1-62.9-51.5000110.6L188 F189 L216 M222 S223 M228 R229 M230 L251L188-I226 HydrophobicContact CB-CG1 4.47Å; L188-I226 WeakPolarHBondContact O-CG1 3.42Å; F189-I226 HydrophobicContact CD1-CD1 3.95Å; F189-I226 HydrophobicContact CD1-CG1 3.79Å; F189-I226 HydrophobicContact CD1-CG2 4.06Å; F189-I226 HydrophobicContact CE1-CD1 3.3Å; F189-I226 HydrophobicContact CE1-CG1 3.7Å; F189-I226 HydrophobicContact CE1-CG2 4.28Å; F189-I226 HydrophobicContact CE2-CD1 4.44Å; F189-I226 HydrophobicContact CG-CG1 4.36Å; F189-I226 HydrophobicContact CZ-CD1 3.6Å; F189-I226 HydrophobicContact CZ-CG1 4.2Å; L216-I226 HydrophobicContact CD1-CG2 4.37Å; M222-I226 HydrophobicContact SD-CG2 4.05Å; S223-I226 PolarHBondContact O-N 3.47Å; S223-I226 PolarHBondContact OG-N 2.91Å; I226-M228 PolarHBondContact O-N 3.24Å; I226-R229 PolarHBondContact O-N 2.87Å; I226-M230 HydrophobicContact CG2-CG 4.48Å; I226-M230 HydrophobicContact CG2-SD 4.17Å; I226-M230 WeakPolarHBondContact O-CG 3.36Å; I226-M230 PolarHBondContact O-N 3.45Å; I226-L251 HydrophobicContact CD1-CD1 3.85Å
227S95.6Very high94.1Very high38 Ų3857.5 Ų57.527%0.26631%0.307SS..Hα-helixtrans-58.2-48.8176.7-610000111.8S223 R229 M230 I231S223-S227 PolarHBondContact O-N 3.07Å; S223-S227 PolarHBondContact O-OG 3.26Å; S227-R229 PolarHBondContact O-N 3.13Å; S227-M230 PolarHBondContact O-N 3.14Å; S227-I231 WeakPolarHBondContact O-CG1 3.34Å; S227-I231 PolarHBondContact O-N 3.29Å; S227-I231 VanDerWaalsContact O-N 3.16Å
228M96.1Very high94.5Very high67 Ų6758.8 Ų58.833%0.3331%0.311SS..Hα-helixtrans-63.6-42.4176.7-172.272.6174.900111.5T129 T133 D224 I226 M230 I231 L232T129-M228 HydrophobicContact CG2-CG 4.03Å; T133-M228 HydrophobicContact CG2-CB 4.15Å; T133-M228 HydrophobicContact CG2-CG 4.47Å; D224-M228 WeakPolarHBondContact O-CB 3.08Å; D224-M228 PolarHBondContact O-N 3.1Å; I226-M228 PolarHBondContact O-N 3.24Å; M228-M230 VanDerWaalsContact C-N 3.33Å; M228-M230 PolarHBondContact O-N 3.49Å; M228-I231 PolarHBondContact O-N 3.27Å; M228-L232 HydrophobicContact CE-CD1 3.97Å; M228-L232 HydrophobicContact CE-CD2 4.1Å; M228-L232 HydrophobicContact CE-CG 4.22Å; M228-L232 HydrophobicContact CG-CD1 3.78Å; M228-L232 HydrophobicContact CG-CG 4.26Å; M228-L232 WeakPolarHBondContact O-CB 3.49Å; M228-L232 VanDerWaalsContact O-CG 3.25Å; M228-L232 WeakPolarHBondContact O-CG 3.29Å; M228-L232 PolarHBondContact O-N 3.47Å
229R96.4Very high94.8Very high1 Ų153.4 Ų53.40%0.00429%0.288CS..Hα-helixtrans-64.3-35.8178-77.3-66.9-43.6-53-13.2112.8E124 T129 L225 I226 S227 N233 T247 L251E124-R229 VanDerWaalsContact OE1-CD 3.3Å; E124-R229 WeakPolarHBondContact OE1-CD 3.32Å; E124-R229 IonicContact OE1-NE 3.09Å; E124-R229 IonicContact OE2-NE 3.51Å; E124-R229 PolarHBondContact OE2-NE 2.82Å; T129-R229 HydrophobicContact CG2-CG 4.23Å; L225-R229 HydrophobicContact CD1-CG 4.07Å; L225-R229 VanDerWaalsContact O-CB 3.28Å; L225-R229 WeakPolarHBondContact O-CB 3.33Å; L225-R229 WeakPolarHBondContact O-CG 3.46Å; L225-R229 PolarHBondContact O-N 3.39Å; I226-R229 PolarHBondContact O-N 2.87Å; S227-R229 PolarHBondContact O-N 3.13Å; R229-N233 PolarHBondContact NH2-OD1 3.34Å; R229-N233 WeakPolarHBondContact O-CB 3.36Å; R229-N233 PolarHBondContact O-N 2.87Å; R229-N233 PolarHBondContact O-ND2 2.8Å; R229-T247 PolarHBondContact NH2-OG1 3.44Å; R229-L251 HydrophobicContact CG-CD1 4.02Å
230M96.6Very high95.1Very high26 Ų2656 Ų5613%0.12831%0.305CS..Hα-helixtrans-62.3-49.3172.9-72.2173.864.200110.6L216 M222 I226 S227 M228 L232 N233 D234L216-M230 HydrophobicContact CB-CE 3.78Å; L216-M230 HydrophobicContact CB-SD 3.71Å; L216-M230 HydrophobicContact CD1-CG 4.39Å; L216-M230 HydrophobicContact CD1-SD 3.91Å; L216-M230 HydrophobicContact CG-SD 4.47Å; M222-M230 HydrophobicContact CE-CE 4.46Å; M222-M230 HydrophobicContact CE-SD 3.86Å; M222-M230 HydrophobicContact SD-SD 4.1Å; I226-M230 HydrophobicContact CG2-CG 4.48Å; I226-M230 HydrophobicContact CG2-SD 4.17Å; I226-M230 WeakPolarHBondContact O-CG 3.36Å; I226-M230 PolarHBondContact O-N 3.45Å; S227-M230 PolarHBondContact O-N 3.14Å; M228-M230 VanDerWaalsContact C-N 3.33Å; M228-M230 PolarHBondContact O-N 3.49Å; M230-L232 VanDerWaalsContact C-N 3.35Å; M230-L232 PolarHBondContact O-N 2.82Å; M230-N233 PolarHBondContact O-N 3.49Å; M230-D234 PolarHBondContact O-N 3.33Å; M230-D234 VanDerWaalsContact O-N 3.07Å
231I96.5Very high95.5Very high103 Ų10353.3 Ų53.353%0.52830%0.296SS..Hα-helixtrans-59.2-44.4177.7-65.4166.1000111.5S227 M228 D234 S235S227-I231 WeakPolarHBondContact O-CG1 3.34Å; S227-I231 PolarHBondContact O-N 3.29Å; S227-I231 VanDerWaalsContact O-N 3.16Å; M228-I231 PolarHBondContact O-N 3.27Å; I231-D234 PolarHBondContact O-N 2.96Å; I231-S235 WeakPolarHBondContact O-CB 3.16Å; I231-S235 PolarHBondContact O-N 2.83Å; I231-S235 PolarHBondContact O-OG 3.14Å
232L96.8Very high95.8Very high18 Ų1848.9 Ų48.99%0.09427%0.274CS..Hα-helixtrans-72.4-35-178.9-64171.8000112.5E124 T129 M228 M230 D234 S235 L236E124-L232 HydrophobicContact CG-CB 4.46Å; E124-L232 HydrophobicContact CG-CD1 4.08Å; E124-L232 WeakPolarHBondContact OE1-CD1 3.44Å; T129-L232 HydrophobicContact CG2-CD1 3.76Å; T129-L232 WeakPolarHBondContact OG1-CD1 3.48Å; M228-L232 HydrophobicContact CE-CD1 3.97Å; M228-L232 HydrophobicContact CE-CD2 4.1Å; M228-L232 HydrophobicContact CE-CG 4.22Å; M228-L232 HydrophobicContact CG-CD1 3.78Å; M228-L232 HydrophobicContact CG-CG 4.26Å; M228-L232 WeakPolarHBondContact O-CB 3.49Å; M228-L232 VanDerWaalsContact O-CG 3.25Å; M228-L232 WeakPolarHBondContact O-CG 3.29Å; M228-L232 PolarHBondContact O-N 3.47Å; M230-L232 VanDerWaalsContact C-N 3.35Å; M230-L232 PolarHBondContact O-N 2.82Å; L232-D234 PolarHBondContact O-N 3.45Å; L232-S235 PolarHBondContact O-N 2.99Å; L232-L236 HydrophobicContact CD2-CD1 3.53Å; L232-L236 HydrophobicContact CD2-CG 4.13Å; L232-L236 WeakPolarHBondContact O-CA 3.1Å; L232-L236 WeakPolarHBondContact O-CB 3.38Å; L232-L236 PolarHBondContact O-N 2.88Å
233N96.4Very high96Very high2 Ų247.5 Ų47.51%0.01127%0.268CS..Hα-helixtrans-59.7-37.2170.3-80.5-13.8000110.9R229 M230 S237 K244 T247R229-N233 PolarHBondContact NH2-OD1 3.34Å; R229-N233 WeakPolarHBondContact O-CB 3.36Å; R229-N233 PolarHBondContact O-N 2.87Å; R229-N233 PolarHBondContact O-ND2 2.8Å; M230-N233 PolarHBondContact O-N 3.49Å; N233-S237 PolarHBondContact O-OG 2.92Å; N233-K244 HydrophobicContact CB-CD 4.06Å; N233-K244 HydrophobicContact CB-CG 3.95Å; N233-K244 WeakPolarHBondContact O-CE 3.4Å; N233-T247 PolarHBondContact ND2-OG1 3.4Å
234D95.5Very high96.1Very high98 Ų9848.5 Ų48.552%0.52427%0.271SS..Hα-helixtrans-80.3-34.4179.7-69.3-20.4000113.6M230 I231 L232 K244M230-D234 PolarHBondContact O-N 3.33Å; M230-D234 VanDerWaalsContact O-N 3.07Å; I231-D234 PolarHBondContact O-N 2.96Å; L232-D234 PolarHBondContact O-N 3.45Å; D234-K244 WeakPolarHBondContact OD1-CE 3.48Å; D234-K244 IonicContact OD1-NZ 3.24Å; D234-K244 PolarHBondContact OD1-NZ 2.7Å
235S96.3Very high96.2Very high77 Ų7744.3 Ų44.354%0.53825%0.248SC..Hα-helixtrans-96.4-30.3-172.255.80000114.7I231 L232I231-S235 WeakPolarHBondContact O-CB 3.16Å; I231-S235 PolarHBondContact O-N 2.83Å; I231-S235 PolarHBondContact O-OG 3.14Å; L232-S235 PolarHBondContact O-N 2.99Å
236L96.6Very high96.1Very high67 Ų6746.1 Ų46.135%0.35125%0.254SS..SBendtrans-121.28.2-171-58.3-174.5000113.5T122 T123 L232T122-L236 CarbonylContact C-O 3.6Å; T122-L236 WeakPolarHBondContact CA-O 3.48Å; T122-L236 WeakPolarHBondContact CB-O 3.3Å; T122-L236 PolarHBondContact OG1-O 3.48Å; T123-L236 PolarHBondContact N-O 3.37Å; L232-L236 HydrophobicContact CD2-CD1 3.53Å; L232-L236 HydrophobicContact CD2-CG 4.13Å; L232-L236 WeakPolarHBondContact O-CA 3.1Å; L232-L236 WeakPolarHBondContact O-CB 3.38Å; L232-L236 PolarHBondContact O-N 2.88Å
237S96.9Very high96.1Very high20 Ų2046.1 Ų46.114%0.1426%0.255CS..BIsolated β-bridgetrans-132.8157.4-179.893.30000113Y121 N233 F239Y121-S237 CarbonylContact O-C 3.48Å; Y121-S237 VanDerWaalsContact O-CA 3.23Å; Y121-S237 WeakPolarHBondContact O-CA 3.43Å; N233-S237 PolarHBondContact O-OG 2.92Å; S237-F239 VanDerWaalsContact CB-CD2 3.49Å; S237-F239 WeakPolarHBondContact OG-CB 3.46Å; S237-F239 WeakPolarHBondContact OG-CD2 3.04Å; S237-F239 VanDerWaalsContact OG-CG 3.3Å; S237-F239 WeakPolarHBondContact OG-CG 3.37Å; S237-F239 PolarHBondContact OG-N 3.41Å
238T97.1Very high96.1Very high105 Ų10544.5 Ų44.564%0.64424%0.243SC*.  trans-10317.7170.456.40000111.9Y121Y121-T238 PolarHBondContact O-N 2.81Å; Y121-T238 PolarHBondContact O-OG1 3.42Å
239F96.8Very high96Very high8 Ų841.8 Ų41.84%0.03523%0.23CC..  trans-63137.2-179.6-60.7-27.5000111.2D113 F115 Y121 T122 S237 K244 T247D113-F239 HydrophobicContact CB-CD1 3.49Å; D113-F239 VanDerWaalsContact CB-CD1 3.49Å; D113-F239 HydrophobicContact CB-CE1 3.47Å; D113-F239 VanDerWaalsContact CB-CE1 3.47Å; F115-F239 HydrophobicContact CD1-CE2 4.2Å; F115-F239 AromaticContact CD1-CZ 3.99Å; F115-F239 HydrophobicContact CD1-CZ 3.99Å; F115-F239 HydrophobicContact CE1-CE2 4.01Å; F115-F239 HydrophobicContact CE1-CZ 4.18Å; Y121-F239 HydrophobicContact CG-CE1 4.41Å; T122-F239 HydrophobicContact CG2-CZ 3.92Å; S237-F239 VanDerWaalsContact CB-CD2 3.49Å; S237-F239 WeakPolarHBondContact OG-CB 3.46Å; S237-F239 WeakPolarHBondContact OG-CD2 3.04Å; S237-F239 VanDerWaalsContact OG-CG 3.3Å; S237-F239 WeakPolarHBondContact OG-CG 3.37Å; S237-F239 PolarHBondContact OG-N 3.41Å; F239-K244 HydrophobicContact CB-CG 3.7Å; F239-K244 VanDerWaalsContact O-CE 3.22Å; F239-K244 WeakPolarHBondContact O-CE 3.27Å; F239-T247 HydrophobicContact CD2-CG2 4.24Å; F239-T247 HydrophobicContact CE2-CG2 4.14Å
240N95.6Very high95.8Very high96 Ų9642.1 Ų42.151%0.51323%0.233SC..  trans-72.8167166.667.740.6000111.1V242 S243 K244N240-V242 VanDerWaalsContact C-N 3.25Å; N240-V242 PolarHBondContact O-N 3.06Å; N240-V242 PolarHBondContact OD1-N 3.16Å; N240-S243 WeakPolarHBondContact O-CA 3.4Å; N240-S243 WeakPolarHBondContact O-CB 3.42Å; N240-S243 PolarHBondContact O-N 2.78Å; N240-S243 VanDerWaalsContact OD1-CB 3.29Å; N240-S243 WeakPolarHBondContact OD1-CB 3.48Å; N240-S243 PolarHBondContact OD1-N 3.21Å; N240-K244 WeakPolarHBondContact O-CG 2.89Å; N240-K244 PolarHBondContact O-N 2.73Å
241D95.2Very high95.7Very high101 Ų10141.8 Ų41.854%0.5423%0.232SC..Hα-helixtrans-59.5-33.9-174-63.5-27.7000114H212 A245H212-D241 PolarHBondContact ND1-O 3Å; D241-A245 WeakPolarHBondContact O-CB 3.28Å; D241-A245 PolarHBondContact O-N 3.22Å
242V94.9Very high95.5Very high56 Ų5637.2 Ų37.234%0.33921%0.208SC..Hα-helixtrans-69.6-42.6176.4177.70000110.4N240 A245 R246N240-V242 VanDerWaalsContact C-N 3.25Å; N240-V242 PolarHBondContact O-N 3.06Å; N240-V242 PolarHBondContact OD1-N 3.16Å; V242-A245 PolarHBondContact O-N 2.64Å; V242-R246 HydrophobicContact CG1-CG 4.5Å; V242-R246 WeakPolarHBondContact O-CB 3.37Å; V242-R246 VanDerWaalsContact O-CG 3.31Å; V242-R246 WeakPolarHBondContact O-CG 3.32Å; V242-R246 PolarHBondContact O-N 3.49Å
243S95.2Very high95.3Very high4 Ų441.2 Ų41.23%0.02822%0.222CC..Hα-helixtrans-63.4-46.8177.8-169.70000110.5D113 N240 A245 R246 T247D113-S243 VanDerWaalsContact CG-OG 3.29Å; D113-S243 PolarHBondContact N-OG 3.14Å; D113-S243 WeakPolarHBondContact OD2-CB 3.34Å; D113-S243 PolarHBondContact OD2-OG 3.38Å; N240-S243 WeakPolarHBondContact O-CA 3.4Å; N240-S243 WeakPolarHBondContact O-CB 3.42Å; N240-S243 PolarHBondContact O-N 2.78Å; N240-S243 VanDerWaalsContact OD1-CB 3.29Å; N240-S243 WeakPolarHBondContact OD1-CB 3.48Å; N240-S243 PolarHBondContact OD1-N 3.21Å; S243-A245 PolarHBondContact O-N 2.77Å; S243-R246 PolarHBondContact O-N 3.39Å; S243-R246 VanDerWaalsContact O-N 3.13Å; S243-T247 VanDerWaalsContact O-CG2 3.24Å; S243-T247 WeakPolarHBondContact O-CG2 3.3Å; S243-T247 PolarHBondContact O-N 3.49Å
244K97Very high95.1Very high32 Ų3243.9 Ų43.914%0.13925%0.245CC..Hα-helixtrans-53.4-50.6171.9-66.6-179.9-178.8171.40111.5N233 D234 F239 N240 R246 T247 H248N233-K244 HydrophobicContact CB-CD 4.06Å; N233-K244 HydrophobicContact CB-CG 3.95Å; N233-K244 WeakPolarHBondContact O-CE 3.4Å; D234-K244 WeakPolarHBondContact OD1-CE 3.48Å; D234-K244 IonicContact OD1-NZ 3.24Å; D234-K244 PolarHBondContact OD1-NZ 2.7Å; F239-K244 HydrophobicContact CB-CG 3.7Å; F239-K244 VanDerWaalsContact O-CE 3.22Å; F239-K244 WeakPolarHBondContact O-CE 3.27Å; N240-K244 WeakPolarHBondContact O-CG 2.89Å; N240-K244 PolarHBondContact O-N 2.73Å; K244-R246 PolarHBondContact O-N 3.25Å; K244-T247 WeakPolarHBondContact O-CB 3.41Å; K244-T247 PolarHBondContact O-N 3.19Å; K244-T247 VanDerWaalsContact O-N 3.13Å; K244-T247 PolarHBondContact O-OG1 2.92Å; K244-H248 PolarHBondContact O-CD2 3.41Å; K244-H248 PolarHBondContact O-N 3.12Å
245A95.7Very high95.1Very high1 Ų140.5 Ų40.51%0.00823%0.228CC..Hα-helixtrans-60.3-42177.500000112.8A208 M211 D241 V242 S243 T247 H248 V249A208-A245 HydrophobicContact CB-CB 4.33Å; A208-A245 VanDerWaalsContact O-CB 3.32Å; A208-A245 WeakPolarHBondContact O-CB 3.43Å; M211-A245 HydrophobicContact CB-CB 4.41Å; D241-A245 WeakPolarHBondContact O-CB 3.28Å; D241-A245 PolarHBondContact O-N 3.22Å; V242-A245 PolarHBondContact O-N 2.64Å; S243-A245 PolarHBondContact O-N 2.77Å; A245-T247 VanDerWaalsContact C-N 3.27Å; A245-T247 PolarHBondContact O-N 2.74Å; A245-H248 WeakPolarHBondContact O-CB 3.39Å; A245-H248 PolarHBondContact O-N 2.98Å; A245-V249 PolarHBondContact O-N 3.48Å; A245-V249 VanDerWaalsContact O-N 3.1Å
246R94.6Very high94.8Very high48 Ų4837.2 Ų37.218%0.18120%0.204CC..Hα-helixtrans-65.2-28.6176.7-74.7172.2173.9165.16.8112.9F110 G111 H112 E205 A208 V242 S243 K244 H248 V249 A250F110-R246 WeakPolarHBondContact O-CD 3.44Å; G111-R246 WeakPolarHBondContact O-CD 3.39Å; G111-R246 PolarHBondContact O-NH1 3.42Å; H112-R246 HydrophobicContact CB-CB 3.86Å; E205-R246 IonicContact OE1-CZ 2.63Å; E205-R246 IonicContact OE1-NE 2.85Å; E205-R246 IonicContact OE1-NH2 3.77Å; E205-R246 PolarHBondContact OE1-NH2 3.37Å; E205-R246 IonicContact OE2-CZ 3.12Å; E205-R246 IonicContact OE2-NE 2.76Å; E205-R246 IonicContact OE2-NH2 3.77Å; E205-R246 PolarHBondContact OE2-NH2 2.81Å; A208-R246 HydrophobicContact CB-CG 4.1Å; V242-R246 HydrophobicContact CG1-CG 4.5Å; V242-R246 WeakPolarHBondContact O-CB 3.37Å; V242-R246 VanDerWaalsContact O-CG 3.31Å; V242-R246 WeakPolarHBondContact O-CG 3.32Å; V242-R246 PolarHBondContact O-N 3.49Å; S243-R246 PolarHBondContact O-N 3.39Å; S243-R246 VanDerWaalsContact O-N 3.13Å; K244-R246 PolarHBondContact O-N 3.25Å; R246-H248 PolarHBondContact O-N 3.13Å; R246-V249 PolarHBondContact O-N 3.08Å; R246-A250 PolarHBondContact O-N 3.34Å
247T96Very high94.6Very high1 Ų134.7 Ų34.71%0.00619%0.193CC..Hα-helixtrans-63.4-32.3170.677.40000112.5H112 F115 R229 N233 F239 S243 K244 A245 L251H112-T247 HydrophobicContact CB-CG2 4.2Å; F115-T247 HydrophobicContact CE1-CG2 3.6Å; F115-T247 HydrophobicContact CZ-CG2 3.51Å; R229-T247 PolarHBondContact NH2-OG1 3.44Å; N233-T247 PolarHBondContact ND2-OG1 3.4Å; F239-T247 HydrophobicContact CD2-CG2 4.24Å; F239-T247 HydrophobicContact CE2-CG2 4.14Å; S243-T247 VanDerWaalsContact O-CG2 3.24Å; S243-T247 WeakPolarHBondContact O-CG2 3.3Å; S243-T247 PolarHBondContact O-N 3.49Å; K244-T247 WeakPolarHBondContact O-CB 3.41Å; K244-T247 PolarHBondContact O-N 3.19Å; K244-T247 VanDerWaalsContact O-N 3.13Å; K244-T247 PolarHBondContact O-OG1 2.92Å; A245-T247 VanDerWaalsContact C-N 3.27Å; A245-T247 PolarHBondContact O-N 2.74Å; T247-L251 PolarHBondContact O-N 3.1Å
248H95.9Very high94.6Very high4 Ų436.1 Ų36.12%0.01920%0.199CC..Hα-helixtrans-76.6-34.7175.9-65.3-53.9000111.7F189 M211 K244 A245 R246 A250 L251 L252F189-H248 HydrophobicContact CE1-CB 3.95Å; F189-H248 HydrophobicContact CZ-CB 4.49Å; M211-H248 HydrophobicContact CB-CB 4.07Å; M211-H248 HydrophobicContact CG-CB 4.33Å; M211-H248 HydrophobicContact SD-CB 3.7Å; K244-H248 PolarHBondContact O-CD2 3.41Å; K244-H248 PolarHBondContact O-N 3.12Å; A245-H248 WeakPolarHBondContact O-CB 3.39Å; A245-H248 PolarHBondContact O-N 2.98Å; R246-H248 PolarHBondContact O-N 3.13Å; H248-A250 VanDerWaalsContact C-N 3.3Å; H248-A250 PolarHBondContact O-N 3.47Å; H248-L251 WeakPolarHBondContact O-CB 3.33Å; H248-L251 PolarHBondContact O-N 2.85Å; H248-L251 VanDerWaalsContact O-N 3.12Å; H248-L252 PolarHBondContact O-N 3.21Å
249V92.9Very high94.6Very high9 Ų931.6 Ų31.66%0.05517%0.172CC..Hα-helixtrans-60.7-41.4171179.10000111F110 R204 L207 A208 M211 A245 R246 L251 L252 W253F110-V249 HydrophobicContact CD1-CG1 4.22Å; R204-V249 HydrophobicContact CG-CG1 4.29Å; L207-V249 HydrophobicContact CB-CG2 4.04Å; A208-V249 HydrophobicContact CB-CG2 4Å; M211-V249 HydrophobicContact SD-CB 4.35Å; M211-V249 HydrophobicContact SD-CG2 3.67Å; M211-V249 PolarHBondContact SD-N 3.3Å; M211-V249 VanDerWaalsContact SD-N 3.41Å; A245-V249 PolarHBondContact O-N 3.48Å; A245-V249 VanDerWaalsContact O-N 3.1Å; R246-V249 PolarHBondContact O-N 3.08Å; V249-L251 VanDerWaalsContact C-N 3.3Å; V249-L251 PolarHBondContact O-N 3.15Å; V249-L252 PolarHBondContact O-N 3.31Å; V249-W253 PolarHBondContact O-N 3.4Å
250A93Very high94.6Very high9 Ų931.6 Ų31.67%0.07417%0.172CC..Hα-helixtrans-61-38.4174.300000112.1F110 R246 H248 W253 A254F110-A250 HydrophobicContact CB-CB 4.23Å; F110-A250 HydrophobicContact CD1-CB 4.17Å; F110-A250 HydrophobicContact CD2-CB 3.52Å; F110-A250 HydrophobicContact CE1-CB 4.47Å; F110-A250 HydrophobicContact CE2-CB 3.87Å; F110-A250 HydrophobicContact CG-CB 3.7Å; F110-A250 HydrophobicContact CZ-CB 4.33Å; R246-A250 PolarHBondContact O-N 3.34Å; H248-A250 VanDerWaalsContact C-N 3.3Å; H248-A250 PolarHBondContact O-N 3.47Å; A250-W253 PolarHBondContact O-N 2.98Å; A250-A254 WeakPolarHBondContact O-CB 3.48Å; A250-A254 PolarHBondContact O-N 2.81Å
251L94.9Very high94.7Very high18 Ų1827 Ų279%0.09415%0.147CC..Hα-helixtrans-68.1-41.3174.5-71.6-175000113.4F130 L225 I226 R229 T247 H248 V249 W253 A254 S255F130-L251 HydrophobicContact CE1-CD2 3.42Å; F130-L251 VanDerWaalsContact CE1-CD2 3.42Å; F130-L251 HydrophobicContact CZ-CD2 3.5Å; L225-L251 HydrophobicContact CD1-CD1 4.38Å; L225-L251 HydrophobicContact CD2-CD1 4.41Å; L225-L251 HydrophobicContact CG-CD1 4.33Å; I226-L251 HydrophobicContact CD1-CD1 3.85Å; R229-L251 HydrophobicContact CG-CD1 4.02Å; T247-L251 PolarHBondContact O-N 3.1Å; H248-L251 WeakPolarHBondContact O-CB 3.33Å; H248-L251 PolarHBondContact O-N 2.85Å; H248-L251 VanDerWaalsContact O-N 3.12Å; V249-L251 VanDerWaalsContact C-N 3.3Å; V249-L251 PolarHBondContact O-N 3.15Å; L251-W253 VanDerWaalsContact C-N 3.29Å; L251-W253 PolarHBondContact O-N 3.01Å; L251-A254 WeakPolarHBondContact O-CB 3.34Å; L251-A254 PolarHBondContact O-N 3.45Å; L251-A254 VanDerWaalsContact O-N 3.12Å; L251-S255 PolarHBondContact O-N 3.38Å; L251-S255 PolarHBondContact O-OG 3.26Å
252L92.4Very high94.9Very high7 Ų722.4 Ų22.44%0.03712%0.123CC..Hα-helixtrans-60-43.5174.6175.966.2000110.8F181 Y185 F189 L207 M211 H248 V249 A254 S255 Q256F181-L252 HydrophobicContact CE2-CD1 4.4Å; F181-L252 HydrophobicContact CE2-CD2 4.33Å; F181-L252 HydrophobicContact CZ-CD2 4.39Å; Y185-L252 HydrophobicContact CD2-CD1 3.62Å; Y185-L252 HydrophobicContact CD2-CD2 3.82Å; Y185-L252 HydrophobicContact CD2-CG 4.39Å; Y185-L252 HydrophobicContact CE2-CD1 4.28Å; Y185-L252 HydrophobicContact CE2-CD2 3.77Å; Y185-L252 HydrophobicContact CG-CD1 4.42Å; F189-L252 HydrophobicContact CD2-CD1 4.44Å; F189-L252 HydrophobicContact CE2-CB 3.89Å; F189-L252 HydrophobicContact CE2-CD1 3.95Å; F189-L252 HydrophobicContact CE2-CG 4.48Å; F189-L252 HydrophobicContact CZ-CB 4.12Å; L207-L252 HydrophobicContact CD1-CD2 4.4Å; L207-L252 HydrophobicContact CD2-CD2 4.09Å; M211-L252 HydrophobicContact CE-CB 3.87Å; M211-L252 HydrophobicContact CE-CD2 3.62Å; M211-L252 HydrophobicContact CE-CG 4.27Å; H248-L252 PolarHBondContact O-N 3.21Å; V249-L252 PolarHBondContact O-N 3.31Å; L252-A254 VanDerWaalsContact C-N 3.31Å; L252-A254 PolarHBondContact O-N 2.92Å; L252-S255 PolarHBondContact O-N 3.21Å; L252-S255 PolarHBondContact O-OG 3.45Å; L252-S255 VanDerWaalsContact O-OG 3.1Å; L252-Q256 HydrophobicContact CD1-CG 3.73Å; L252-Q256 HydrophobicContact CG-CG 4.43Å; L252-Q256 WeakPolarHBondContact O-CB 3.38Å; L252-Q256 WeakPolarHBondContact O-CG 3.3Å; L252-Q256 PolarHBondContact O-N 3.28Å
253W92Very high95.1Very high103 Ų10319.7 Ų19.739%0.3911%0.107SC..Hα-helixtrans-60.6-44.2173.8-178.592.5000111.2F110 V249 A250 L251 S255 Q256 A257F110-W253 HydrophobicContact CE1-CB 3.71Å; F110-W253 AromaticContact CE1-CG 3.96Å; F110-W253 HydrophobicContact CE1-CG 3.96Å; F110-W253 HydrophobicContact CZ-CB 3.62Å; F110-W253 AromaticContact CZ-CD2 3.81Å; F110-W253 HydrophobicContact CZ-CD2 3.81Å; F110-W253 HydrophobicContact CZ-CE3 4.09Å; F110-W253 AromaticContact CZ-CG 3.59Å; F110-W253 HydrophobicContact CZ-CG 3.59Å; V249-W253 PolarHBondContact O-N 3.4Å; A250-W253 PolarHBondContact O-N 2.98Å; L251-W253 VanDerWaalsContact C-N 3.29Å; L251-W253 PolarHBondContact O-N 3.01Å; W253-S255 VanDerWaalsContact C-N 3.31Å; W253-S255 PolarHBondContact O-N 2.89Å; W253-Q256 PolarHBondContact O-N 3.36Å; W253-A257 HydrophobicContact CD2-CB 3.8Å; W253-A257 VanDerWaalsContact CE2-CB 3.46Å; W253-A257 HydrophobicContact CE3-CB 4.41Å; W253-A257 HydrophobicContact CG-CB 4.12Å; W253-A257 HydrophobicContact CH2-CB 4.38Å; W253-A257 HydrophobicContact CZ2-CB 3.79Å; W253-A257 WeakPolarHBondContact O-CB 3.48Å; W253-A257 PolarHBondContact O-N 3.37Å
254A93.5Very high95.2Very high58 Ų5819.5 Ų19.548%0.47911%0.106SC..Hα-helixtrans-62.9-35.2-179.400000113.2A250 L251 L252A250-A254 WeakPolarHBondContact O-CB 3.48Å; A250-A254 PolarHBondContact O-N 2.81Å; L251-A254 WeakPolarHBondContact O-CB 3.34Å; L251-A254 PolarHBondContact O-N 3.45Å; L251-A254 VanDerWaalsContact O-N 3.12Å; L252-A254 VanDerWaalsContact C-N 3.31Å; L252-A254 PolarHBondContact O-N 2.92Å
255S93.8Very high95.3Very high26 Ų2618 Ų1818%0.18210%0.099CC..Hα-helixtrans-79.9-30.5177.562.50000113.5L188 L251 L252 W253 T259L188-S255 VanDerWaalsContact CD1-CB 3.44Å; L188-S255 WeakPolarHBondContact CD1-OG 3.45Å; L251-S255 PolarHBondContact O-N 3.38Å; L251-S255 PolarHBondContact O-OG 3.26Å; L252-S255 PolarHBondContact O-N 3.21Å; L252-S255 PolarHBondContact O-OG 3.45Å; L252-S255 VanDerWaalsContact O-OG 3.1Å; W253-S255 VanDerWaalsContact C-N 3.31Å; W253-S255 PolarHBondContact O-N 2.89Å; S255-T259 WeakPolarHBondContact O-CB 3.25Å; S255-T259 PolarHBondContact O-OG1 2.84Å; S255-T259 VanDerWaalsContact O-OG1 3.1Å
256Q91Very high95.5Very high8 Ų818 Ų184%0.03710%0.099CC..Hα-helixtrans-100.2-38.3-172.3-62.9-60-37.800113.8M180 F181 L252 W253 N258 T259 L260M180-Q256 PolarHBondContact O-OE1 3.26Å; F181-Q256 HydrophobicContact CD2-CB 4.49Å; F181-Q256 HydrophobicContact CD2-CG 4.08Å; F181-Q256 HydrophobicContact CE2-CG 4.45Å; L252-Q256 HydrophobicContact CD1-CG 3.73Å; L252-Q256 HydrophobicContact CG-CG 4.43Å; L252-Q256 WeakPolarHBondContact O-CB 3.38Å; L252-Q256 WeakPolarHBondContact O-CG 3.3Å; L252-Q256 PolarHBondContact O-N 3.28Å; W253-Q256 PolarHBondContact O-N 3.36Å; Q256-N258 PolarHBondContact O-N 3.49Å; Q256-T259 PolarHBondContact O-N 2.85Å; Q256-L260 HydrophobicContact CB-CD1 4.29Å; Q256-L260 HydrophobicContact CB-CG 4.43Å; Q256-L260 VanDerWaalsContact O-CG 3.28Å; Q256-L260 WeakPolarHBondContact O-CG 3.39Å; Q256-L260 PolarHBondContact O-N 3.35Å; Q256-L260 VanDerWaalsContact O-N 3.11Å
257A91.3Very high95.7Very high14 Ų1415.7 Ų15.712%0.1169%0.09CC..THydrogen-bonded Turntrans-60.5-24.7-165.800000114.8W253 P261W253-A257 HydrophobicContact CD2-CB 3.8Å; W253-A257 VanDerWaalsContact CE2-CB 3.46Å; W253-A257 HydrophobicContact CE3-CB 4.41Å; W253-A257 HydrophobicContact CG-CB 4.12Å; W253-A257 HydrophobicContact CH2-CB 4.38Å; W253-A257 HydrophobicContact CZ2-CB 3.79Å; W253-A257 WeakPolarHBondContact O-CB 3.48Å; W253-A257 PolarHBondContact O-N 3.37Å; A257-P261 WeakPolarHBondContact O-CD 3.28Å; A257-P261 WeakPolarHBondContact O-CG 3.35Å
258N97Very high95.8Very high50 Ų5015.7 Ų15.727%0.2679%0.09SC..THydrogen-bonded Turntrans-106.7-35.1177.8-70.7-60.4000113.3Q256 P261 A262 L457 G458 I459Q256-N258 PolarHBondContact O-N 3.49Å; N258-P261 WeakPolarHBondContact O-CD 3.39Å; N258-P261 WeakPolarHBondContact O-CG 3.35Å; N258-A262 WeakPolarHBondContact O-CB 3.37Å; N258-A262 PolarHBondContact O-N 2.82Å; N258-A262 VanDerWaalsContact O-N 3.07Å; N258-L457 PolarHBondContact OD1-O 2.84Å; N258-G458 VanDerWaalsContact OD1-CA 3.27Å; N258-G458 WeakPolarHBondContact OD1-CA 3.46Å; N258-I459 HydrophobicContact CB-CG1 4.24Å; N258-I459 PolarHBondContact OD1-N 2.8Å
259T98.1Very high95.9Very high10 Ų1016.3 Ų16.36%0.0619%0.092CC..Hα-helixtrans-60.6-47.5177.9-66.10000110.6M180 S255 Q256 A262 T263 E424 I425M180-T259 HydrophobicContact CE-CG2 3.52Å; S255-T259 WeakPolarHBondContact O-CB 3.25Å; S255-T259 PolarHBondContact O-OG1 2.84Å; S255-T259 VanDerWaalsContact O-OG1 3.1Å; Q256-T259 PolarHBondContact O-N 2.85Å; T259-A262 PolarHBondContact O-N 3.28Å; T259-A262 VanDerWaalsContact O-N 3.13Å; T259-T263 PolarHBondContact O-N 2.87Å; T259-T263 PolarHBondContact O-OG1 3.47Å; T259-E424 WeakPolarHBondContact CB-OE1 3.33Å; T259-E424 VanDerWaalsContact CG2-CD 3.4Å; T259-E424 HydrophobicContact CG2-CG 3.96Å; T259-E424 WeakPolarHBondContact CG2-OE1 3.47Å; T259-E424 PolarHBondContact OG1-OE1 2.86Å; T259-I425 HydrophobicContact CG2-CG1 4.3Å
260L96.4Very high96.2Very high8 Ų815.9 Ų15.94%0.0429%0.09CC..Hα-helixtrans-55.4-55.6-177.5-59.4-179.3000113.5Y177 M180 F181 Q256 A262 T263 F264Y177-L260 HydrophobicContact CD1-CD1 4.38Å; Y177-L260 HydrophobicContact CD2-CD1 3.55Å; Y177-L260 HydrophobicContact CE1-CD1 4.3Å; Y177-L260 HydrophobicContact CE2-CD1 3.46Å; Y177-L260 VanDerWaalsContact CE2-CD1 3.46Å; Y177-L260 HydrophobicContact CG-CD1 4.01Å; M180-L260 HydrophobicContact CB-CD2 3.38Å; M180-L260 HydrophobicContact CG-CD2 4.45Å; F181-L260 HydrophobicContact CB-CD2 4.37Å; Q256-L260 HydrophobicContact CB-CD1 4.29Å; Q256-L260 HydrophobicContact CB-CG 4.43Å; Q256-L260 VanDerWaalsContact O-CG 3.28Å; Q256-L260 WeakPolarHBondContact O-CG 3.39Å; Q256-L260 PolarHBondContact O-N 3.35Å; Q256-L260 VanDerWaalsContact O-N 3.11Å; L260-A262 PolarHBondContact O-N 3.38Å; L260-T263 PolarHBondContact O-N 3.28Å; L260-F264 PolarHBondContact O-N 2.96Å; L260-F264 VanDerWaalsContact O-N 3.09Å
261P98.2Very high96.4Very high0 Ų016.4 Ų16.40%09%0.091CC..Hα-helixtrans-68.4-30.117627.2-35.6000113.4F173 A257 N258 F264 W265 I459 Q461F173-P261 HydrophobicContact CE2-CB 4.24Å; A257-P261 WeakPolarHBondContact O-CD 3.28Å; A257-P261 WeakPolarHBondContact O-CG 3.35Å; N258-P261 WeakPolarHBondContact O-CD 3.39Å; N258-P261 WeakPolarHBondContact O-CG 3.35Å; P261-F264 PolarHBondContact O-N 3.12Å; P261-W265 PolarHBondContact O-N 3.38Å; P261-I459 HydrophobicContact CB-CB 4.44Å; P261-I459 HydrophobicContact CB-CG2 3.87Å; P261-I459 HydrophobicContact CG-CB 3.96Å; P261-I459 HydrophobicContact CG-CG2 3.93Å; P261-Q461 HydrophobicContact CB-CG 4.08Å; P261-Q461 HydrophobicContact CG-CG 4.38Å
262A98.8Very high96.6Very high4 Ų419.5 Ų19.53%0.03310%0.101CC..Hα-helixtrans-65.1-41.2175.400000111.9N258 T259 L260 S266 M324 I425 I459N258-A262 WeakPolarHBondContact O-CB 3.37Å; N258-A262 PolarHBondContact O-N 2.82Å; N258-A262 VanDerWaalsContact O-N 3.07Å; T259-A262 PolarHBondContact O-N 3.28Å; T259-A262 VanDerWaalsContact O-N 3.13Å; L260-A262 PolarHBondContact O-N 3.38Å; A262-S266 WeakPolarHBondContact O-CB 3.09Å; A262-S266 PolarHBondContact O-N 3.1Å; A262-S266 PolarHBondContact O-OG 3.37Å; A262-M324 HydrophobicContact CB-CG 4.32Å; A262-I425 HydrophobicContact CB-CD1 3.72Å; A262-I459 HydrophobicContact CB-CG1 4.34Å; A262-I459 HydrophobicContact CB-CG2 4.44Å
263T98.8Very high96.8Very high0 Ų020.4 Ų20.40%011%0.108CC..Hα-helixtrans-62-47.3173.4-53.50000110.8C176 M180 T259 L260 W265 S266 L267 F428C176-T263 HydrophobicContact CB-CG2 4.33Å; M180-T263 HydrophobicContact CG-CG2 3.84Å; M180-T263 HydrophobicContact SD-CG2 4.14Å; T259-T263 PolarHBondContact O-N 2.87Å; T259-T263 PolarHBondContact O-OG1 3.47Å; L260-T263 PolarHBondContact O-N 3.28Å; T263-W265 PolarHBondContact O-N 3.03Å; T263-S266 PolarHBondContact O-N 3.4Å; T263-L267 WeakPolarHBondContact O-CB 3.23Å; T263-L267 PolarHBondContact O-N 2.93Å; T263-F428 HydrophobicContact CG2-CD1 3.23Å; T263-F428 HydrophobicContact CG2-CD2 4.36Å; T263-F428 HydrophobicContact CG2-CE1 3.33Å; T263-F428 HydrophobicContact CG2-CE2 4.44Å; T263-F428 HydrophobicContact CG2-CG 3.78Å; T263-F428 HydrophobicContact CG2-CZ 3.97Å
264F98.7Very high97Very high0 Ų020.3 Ų20.30%012%0.121CC..Hα-helixtrans-54.9-54176164-96.2000111.8I172 F173 C176 L260 P261 S266 L267 F268 P462 V466I172-F264 HydrophobicContact CB-CD2 3.93Å; I172-F264 HydrophobicContact CB-CE2 3.88Å; I172-F264 HydrophobicContact CG2-CD2 3.58Å; I172-F264 HydrophobicContact CG2-CE2 3.95Å; F173-F264 HydrophobicContact CB-CD2 3.57Å; F173-F264 HydrophobicContact CB-CE2 3.88Å; F173-F264 HydrophobicContact CB-CG 4.2Å; F173-F264 HydrophobicContact CD2-CB 3.75Å; F173-F264 HydrophobicContact CD2-CD1 4.28Å; F173-F264 HydrophobicContact CD2-CD2 4.02Å; F173-F264 AromaticContact CD2-CG 3.74Å; F173-F264 HydrophobicContact CD2-CG 3.74Å; F173-F264 HydrophobicContact CE2-CB 4.48Å; F173-F264 HydrophobicContact CG-CD2 4.31Å; F173-F264 HydrophobicContact CG-CG 4.47Å; C176-F264 HydrophobicContact CB-CB 4.5Å; L260-F264 PolarHBondContact O-N 2.96Å; L260-F264 VanDerWaalsContact O-N 3.09Å; P261-F264 PolarHBondContact O-N 3.12Å; F264-S266 VanDerWaalsContact C-N 3.3Å; F264-S266 PolarHBondContact O-N 3.47Å; F264-L267 PolarHBondContact O-N 3.33Å; F264-F268 HydrophobicContact CE2-CB 4.4Å; F264-F268 HydrophobicContact CZ-CB 4.27Å; F264-F268 HydrophobicContact CZ-CG 4.39Å; F264-F268 VanDerWaalsContact O-CB 3.23Å; F264-F268 WeakPolarHBondContact O-CB 3.17Å; F264-F268 PolarHBondContact O-N 3.45Å; F264-P462 HydrophobicContact CD1-CB 4.48Å; F264-P462 HydrophobicContact CD1-CG 3.94Å; F264-P462 HydrophobicContact CE1-CB 3.63Å; F264-P462 HydrophobicContact CE1-CG 3.48Å; F264-P462 VanDerWaalsContact CE1-CG 3.48Å; F264-P462 HydrophobicContact CE2-CG 4.21Å; F264-P462 HydrophobicContact CZ-CB 3.81Å; F264-P462 HydrophobicContact CZ-CG 3.63Å; F264-V466 HydrophobicContact CZ-CG2 4.45Å
265W98.9Very high97.2Very high1 Ų122.8 Ų22.80%0.00413%0.127CC..Hα-helixtrans-63.7-38.9-177.6-73.4117.7000111.9P261 T263 F268 Y269 A323 V447 P448 L450 L460 P462P261-W265 PolarHBondContact O-N 3.38Å; T263-W265 PolarHBondContact O-N 3.03Å; W265-F268 AromaticContact CE3-CD1 3.93Å; W265-F268 HydrophobicContact CE3-CD1 3.93Å; W265-F268 AromaticContact CZ3-CD1 3.93Å; W265-F268 HydrophobicContact CZ3-CD1 3.93Å; W265-F268 HydrophobicContact CZ3-CE1 4.14Å; W265-Y269 HydrophobicContact CB-CD2 4.36Å; W265-Y269 HydrophobicContact CB-CE2 4.45Å; W265-Y269 HydrophobicContact CD2-CE2 4.31Å; W265-Y269 HydrophobicContact CE3-CD2 4.15Å; W265-Y269 AromaticContact CE3-CE2 3.55Å; W265-Y269 HydrophobicContact CE3-CE2 3.55Å; W265-Y269 HydrophobicContact CZ3-CE2 4.22Å; W265-Y269 WeakPolarHBondContact O-CB 3.46Å; W265-Y269 WeakPolarHBondContact O-CD2 3.21Å; W265-Y269 PolarHBondContact O-N 3Å; W265-A323 HydrophobicContact CB-CB 4.01Å; W265-V447 HydrophobicContact CH2-CG1 4.37Å; W265-V447 HydrophobicContact CZ3-CG1 3.92Å; W265-P448 HydrophobicContact CH2-CB 4.28Å; W265-P448 WeakPolarHBondContact CH2-O 3.44Å; W265-L450 HydrophobicContact CH2-CD2 4Å; W265-L450 HydrophobicContact CZ2-CD2 3.39Å; W265-L460 PolarHBondContact NE1-O 3Å; W265-P462 HydrophobicContact CH2-CB 4.07Å; W265-P462 HydrophobicContact CZ2-CB 3.89Å
266S98.9Very high97.4Very high0 Ų021.6 Ų21.60%012%0.118CC..Hα-helixtrans-63.8-45.5178.1-54.90000111.3A262 T263 F264 M270A262-S266 WeakPolarHBondContact O-CB 3.09Å; A262-S266 PolarHBondContact O-N 3.1Å; A262-S266 PolarHBondContact O-OG 3.37Å; T263-S266 PolarHBondContact O-N 3.4Å; F264-S266 VanDerWaalsContact C-N 3.3Å; F264-S266 PolarHBondContact O-N 3.47Å; S266-M270 WeakPolarHBondContact O-CB 3Å; S266-M270 PolarHBondContact O-N 2.94Å; S266-M270 VanDerWaalsContact O-N 3.14Å
267L98.8Very high97.8Very high0 Ų022.3 Ų22.30%012%0.122CC..Hα-helixtrans-67.9-48.2177.5-178.159.8000111.7I172 T263 F264 Y269 M270 I271 F428 L429 M432 M438I172-L267 HydrophobicContact CG2-CB 4.4Å; I172-L267 HydrophobicContact CG2-CD2 3.88Å; I172-L267 HydrophobicContact CG2-CG 4.19Å; T263-L267 WeakPolarHBondContact O-CB 3.23Å; T263-L267 PolarHBondContact O-N 2.93Å; F264-L267 PolarHBondContact O-N 3.33Å; L267-Y269 PolarHBondContact O-N 3.39Å; L267-M270 HydrophobicContact CD1-CE 3.71Å; L267-M270 PolarHBondContact O-N 3.49Å; L267-I271 HydrophobicContact CD1-CD1 3.71Å; L267-I271 HydrophobicContact CD1-CG1 3.97Å; L267-I271 HydrophobicContact CD2-CD1 4.44Å; L267-I271 HydrophobicContact CG-CD1 3.77Å; L267-I271 HydrophobicContact CG-CG1 4.39Å; L267-I271 WeakPolarHBondContact O-CG1 3.48Å; L267-I271 PolarHBondContact O-N 3.07Å; L267-F428 HydrophobicContact CB-CE1 4.41Å; L267-F428 HydrophobicContact CD2-CE1 3.87Å; L267-F428 HydrophobicContact CD2-CZ 4.01Å; L267-L429 HydrophobicContact CB-CD2 4.07Å; L267-L429 HydrophobicContact CD1-CD2 4.17Å; L267-M432 HydrophobicContact CD1-CG 4.45Å; L267-M432 HydrophobicContact CD2-CE 4.35Å; L267-M438 HydrophobicContact CD1-SD 4Å
268F98.7Very high98.1Very high0 Ų028.9 Ų28.90%015%0.148CC..Hα-helixtrans-57.1-51.6-179.5168.1-102.3000111.9I172 F264 W265 M270 I271 R272 L440 I445 V447 V466I172-F268 HydrophobicContact CD1-CB 4.39Å; I172-F268 HydrophobicContact CD1-CD2 4.09Å; F264-F268 HydrophobicContact CE2-CB 4.4Å; F264-F268 HydrophobicContact CZ-CB 4.27Å; F264-F268 HydrophobicContact CZ-CG 4.39Å; F264-F268 VanDerWaalsContact O-CB 3.23Å; F264-F268 WeakPolarHBondContact O-CB 3.17Å; F264-F268 PolarHBondContact O-N 3.45Å; W265-F268 AromaticContact CE3-CD1 3.93Å; W265-F268 HydrophobicContact CE3-CD1 3.93Å; W265-F268 AromaticContact CZ3-CD1 3.93Å; W265-F268 HydrophobicContact CZ3-CD1 3.93Å; W265-F268 HydrophobicContact CZ3-CE1 4.14Å; F268-M270 VanDerWaalsContact C-N 3.33Å; F268-M270 PolarHBondContact O-N 2.97Å; F268-I271 PolarHBondContact O-N 2.87Å; F268-R272 WeakPolarHBondContact O-CB 3.47Å; F268-R272 PolarHBondContact O-N 3.04Å; F268-L440 HydrophobicContact CD2-CD2 4.47Å; F268-I445 HydrophobicContact CE2-CG2 4.34Å; F268-V447 HydrophobicContact CE1-CB 4.34Å; F268-V447 HydrophobicContact CE1-CG1 4.06Å; F268-V447 HydrophobicContact CE1-CG2 4.07Å; F268-V447 HydrophobicContact CZ-CG2 4.27Å; F268-V466 HydrophobicContact CD2-CB 4.36Å; F268-V466 HydrophobicContact CD2-CG1 4.2Å; F268-V466 HydrophobicContact CD2-CG2 4.2Å; F268-V466 HydrophobicContact CE2-CB 4.42Å; F268-V466 HydrophobicContact CE2-CG1 4.05Å; F268-V466 HydrophobicContact CE2-CG2 3.98Å
269Y98.6Very high98.2Very high18 Ų1827.7 Ų27.77%0.07114%0.144CC..Hα-helixtrans-67.4-34.3179.7-77.4-62000112.5W265 L267 R272 S273 A323 L326 Y378 V447W265-Y269 HydrophobicContact CB-CD2 4.36Å; W265-Y269 HydrophobicContact CB-CE2 4.45Å; W265-Y269 HydrophobicContact CD2-CE2 4.31Å; W265-Y269 HydrophobicContact CE3-CD2 4.15Å; W265-Y269 AromaticContact CE3-CE2 3.55Å; W265-Y269 HydrophobicContact CE3-CE2 3.55Å; W265-Y269 HydrophobicContact CZ3-CE2 4.22Å; W265-Y269 WeakPolarHBondContact O-CB 3.46Å; W265-Y269 WeakPolarHBondContact O-CD2 3.21Å; W265-Y269 PolarHBondContact O-N 3Å; L267-Y269 PolarHBondContact O-N 3.39Å; Y269-R272 PolarHBondContact O-N 3.38Å; Y269-S273 WeakPolarHBondContact O-CB 3.3Å; Y269-S273 PolarHBondContact O-N 3.3Å; Y269-A323 HydrophobicContact CD2-CB 4.05Å; Y269-L326 HydrophobicContact CE1-CD1 4.45Å; Y269-L326 HydrophobicContact CE2-CD1 4.2Å; Y269-Y378 VanDerWaalsContact CB-CE2 3.41Å; Y269-Y378 HydrophobicContact CD1-CD1 4.08Å; Y269-Y378 AromaticContact CD1-CD2 3.61Å; Y269-Y378 HydrophobicContact CD1-CD2 3.61Å; Y269-Y378 HydrophobicContact CD1-CE2 4.31Å; Y269-Y378 AromaticContact CD1-CG 3.49Å; Y269-Y378 HydrophobicContact CD1-CG 3.49Å; Y269-Y378 VanDerWaalsContact CD1-CG 3.49Å; Y269-Y378 AromaticContact CD2-CD2 3.71Å; Y269-Y378 HydrophobicContact CD2-CD2 3.71Å; Y269-Y378 AromaticContact CD2-CE2 3.97Å; Y269-Y378 HydrophobicContact CD2-CE2 3.97Å; Y269-Y378 HydrophobicContact CD2-CG 4.45Å; Y269-Y378 HydrophobicContact CE1-CD2 4.14Å; Y269-Y378 HydrophobicContact CE1-CG 4.05Å; Y269-Y378 HydrophobicContact CE2-CD2 4.24Å; Y269-Y378 HydrophobicContact CG-CD1 4.29Å; Y269-Y378 AromaticContact CG-CD2 3.38Å; Y269-Y378 HydrophobicContact CG-CD2 3.38Å; Y269-Y378 HydrophobicContact CG-CE1 4.5Å; Y269-Y378 AromaticContact CG-CE2 3.67Å; Y269-Y378 HydrophobicContact CG-CE2 3.67Å; Y269-Y378 AromaticContact CG-CG 3.74Å; Y269-Y378 HydrophobicContact CG-CG 3.74Å; Y269-V447 HydrophobicContact CE1-CG1 4.31Å; Y269-V447 HydrophobicContact CE1-CG2 4.16Å; Y269-V447 WeakPolarHBondContact OH-CG1 3.48Å
270M98.5Very high98.2Very high0 Ų027.2 Ų27.20%014%0.141CC..Hα-helixtrans-64.1-46.7175.3-177.117969.800111.8S266 L267 F268 S273 M277 A280 L316 I319 L429 L433S266-M270 WeakPolarHBondContact O-CB 3Å; S266-M270 PolarHBondContact O-N 2.94Å; S266-M270 VanDerWaalsContact O-N 3.14Å; L267-M270 HydrophobicContact CD1-CE 3.71Å; L267-M270 PolarHBondContact O-N 3.49Å; F268-M270 VanDerWaalsContact C-N 3.33Å; F268-M270 PolarHBondContact O-N 2.97Å; M270-S273 PolarHBondContact O-N 2.99Å; M270-S273 VanDerWaalsContact O-O 3.07Å; M270-M277 HydrophobicContact CE-CE 4.32Å; M270-M277 HydrophobicContact CG-CE 4.19Å; M270-M277 HydrophobicContact CG-SD 4.49Å; M270-A280 HydrophobicContact CG-CB 4.47Å; M270-A280 HydrophobicContact SD-CB 3.84Å; M270-L316 HydrophobicContact SD-CD2 4.42Å; M270-I319 HydrophobicContact CB-CG2 4.26Å; M270-I319 HydrophobicContact CG-CD1 4.38Å; M270-I319 HydrophobicContact SD-CD1 4.49Å; M270-L429 HydrophobicContact CE-CD2 3.85Å; M270-L433 HydrophobicContact CE-CD1 4.28Å; M270-L433 HydrophobicContact CE-CD2 3.89Å; M270-L433 HydrophobicContact CE-CG 4.01Å; M270-L433 HydrophobicContact SD-CD1 3.93Å; M270-L433 HydrophobicContact SD-CD2 4.06Å; M270-L433 HydrophobicContact SD-CG 4.26Å
271I98.1Very high98.3Very high20 Ų2029.2 Ų29.210%0.10315%0.151CC..Hα-helixtrans-66.2-41.9177-60168.9000110.7I172 L267 F268 S273 M277 M438 L440 F468I172-I271 HydrophobicContact CD1-CD1 4.46Å; L267-I271 HydrophobicContact CD1-CD1 3.71Å; L267-I271 HydrophobicContact CD1-CG1 3.97Å; L267-I271 HydrophobicContact CD2-CD1 4.44Å; L267-I271 HydrophobicContact CG-CD1 3.77Å; L267-I271 HydrophobicContact CG-CG1 4.39Å; L267-I271 WeakPolarHBondContact O-CG1 3.48Å; L267-I271 PolarHBondContact O-N 3.07Å; F268-I271 PolarHBondContact O-N 2.87Å; I271-S273 VanDerWaalsContact C-N 3.27Å; I271-S273 PolarHBondContact O-N 3.31Å; I271-M277 HydrophobicContact CB-CE 4.17Å; I271-M277 HydrophobicContact CG1-CE 3.74Å; I271-M438 HydrophobicContact CD1-CB 4.21Å; I271-M438 HydrophobicContact CD1-SD 4.21Å; I271-L440 HydrophobicContact CG2-CD2 4.08Å; I271-L440 HydrophobicContact CG2-CG 3.79Å; I271-F468 HydrophobicContact CD1-CD2 4.09Å
272R97.1Very high98.3Very high82 Ų8237 Ų3731%0.30918%0.184SC..Hα-helixtrans-63.3-30.1-179.4-177.6-179.5-171.675.91.7113.5F268 Y269 P274 L440 I445F268-R272 WeakPolarHBondContact O-CB 3.47Å; F268-R272 PolarHBondContact O-N 3.04Å; Y269-R272 PolarHBondContact O-N 3.38Å; R272-P274 WeakPolarHBondContact O-CD 3.25Å; R272-L440 HydrophobicContact CB-CD1 4.16Å; R272-I445 PolarHBondContact NH1-O 2.88Å; R272-I445 PolarHBondContact NH2-O 3.3Å
273S97.3Very high98.3Very high26 Ų2637.8 Ų37.818%0.18219%0.187CC..  trans-104.3106.9-176.6176.10000111Y269 M270 I271 D275 A276 M277Y269-S273 WeakPolarHBondContact O-CB 3.3Å; Y269-S273 PolarHBondContact O-N 3.3Å; M270-S273 PolarHBondContact O-N 2.99Å; M270-S273 VanDerWaalsContact O-O 3.07Å; I271-S273 VanDerWaalsContact C-N 3.27Å; I271-S273 PolarHBondContact O-N 3.31Å; S273-D275 PolarHBondContact O-N 3.04Å; S273-A276 PolarHBondContact O-N 3.41Å; S273-A276 VanDerWaalsContact O-N 3.13Å; S273-A276 WeakPolarHBondContact OG-CB 3.34Å; S273-A276 PolarHBondContact OG-N 2.9Å; S273-M277 PolarHBondContact O-N 3.48Å
274P96.5Very high98.2Very high102 Ų10238 Ų3866%0.66219%0.189SC*.Hα-helixtrans-56.3-37.1179.1-26.935.6000113.3R272 K278R272-P274 WeakPolarHBondContact O-CD 3.25Å; P274-K278 VanDerWaalsContact O-CB 3.3Å; P274-K278 WeakPolarHBondContact O-CB 3.47Å; P274-K278 PolarHBondContact O-N 3.44Å
275D98.1Very high98Very high110 Ų11044.4 Ų44.459%0.58821%0.213SC*.Hα-helixtrans-69.2-42178.6-67.7-29.2000111.8S273 K278 A279 F380S273-D275 PolarHBondContact O-N 3.04Å; D275-K278 PolarHBondContact O-N 3.43Å; D275-A279 VanDerWaalsContact O-CB 3.3Å; D275-A279 WeakPolarHBondContact O-CB 3.46Å; D275-A279 PolarHBondContact O-N 3.12Å; D275-F380 HydrophobicContact CB-CD1 4.41Å; D275-F380 HydrophobicContact CB-CE1 3.81Å
276A98.4Very high97.8Very high0 Ų049 Ų490%023%0.233CC..Hα-helixtrans-63.3-47.1175.200000111.2S273 K278 A279 A280 I319 Y378 F380S273-A276 PolarHBondContact O-N 3.41Å; S273-A276 VanDerWaalsContact O-N 3.13Å; S273-A276 WeakPolarHBondContact OG-CB 3.34Å; S273-A276 PolarHBondContact OG-N 2.9Å; A276-K278 PolarHBondContact O-N 3.15Å; A276-A279 PolarHBondContact O-N 3.39Å; A276-A280 VanDerWaalsContact O-CB 3.28Å; A276-A280 WeakPolarHBondContact O-CB 3.32Å; A276-A280 PolarHBondContact O-N 2.89Å; A276-I319 HydrophobicContact CB-CD1 4.28Å; A276-I319 HydrophobicContact CB-CG1 4.4Å; A276-Y378 HydrophobicContact CB-CE1 4.42Å; A276-F380 HydrophobicContact CB-CB 3.59Å; A276-F380 HydrophobicContact CB-CD1 4.1Å; A276-F380 HydrophobicContact CB-CD2 4.27Å; A276-F380 HydrophobicContact CB-CG 3.73Å
277M98.3Very high97.6Very high24 Ų2449.4 Ų49.412%0.11824%0.235CC..Hα-helixtrans-56.6-49.9176.3-179.459.772.500111.1M270 I271 S273 A279 A280 Q281 L433 M438M270-M277 HydrophobicContact CE-CE 4.32Å; M270-M277 HydrophobicContact CG-CE 4.19Å; M270-M277 HydrophobicContact CG-SD 4.49Å; I271-M277 HydrophobicContact CB-CE 4.17Å; I271-M277 HydrophobicContact CG1-CE 3.74Å; S273-M277 PolarHBondContact O-N 3.48Å; M277-A279 PolarHBondContact O-N 3.41Å; M277-A280 PolarHBondContact O-N 2.87Å; M277-Q281 WeakPolarHBondContact O-CB 3.26Å; M277-Q281 VanDerWaalsContact O-CG 3.25Å; M277-Q281 WeakPolarHBondContact O-CG 3.46Å; M277-Q281 PolarHBondContact O-N 3.32Å; M277-Q281 HydrophobicContact SD-CG 4.12Å; M277-L433 HydrophobicContact SD-CD2 3.47Å; M277-L433 WeakPolarHBondContact SD-CD2 3.27Å; M277-M438 HydrophobicContact CE-CE 4.31Å
278K98.4Very high97.3Very high152 Ų15249.6 Ų49.666%0.66124%0.237SC*.Hα-helixtrans-62.8-43-179.8-174.5179.7-178.8-179.50112.2P274 D275 A276 K282P274-K278 VanDerWaalsContact O-CB 3.3Å; P274-K278 WeakPolarHBondContact O-CB 3.47Å; P274-K278 PolarHBondContact O-N 3.44Å; D275-K278 PolarHBondContact O-N 3.43Å; A276-K278 PolarHBondContact O-N 3.15Å; K278-K282 WeakPolarHBondContact O-CB 3.34Å; K278-K282 PolarHBondContact O-N 3.36Å; K278-K282 VanDerWaalsContact O-N 3.1Å
279A98.6Very high96.9Very high24 Ų2456.9 Ų56.920%0.19826%0.264CS..Hα-helixtrans-64.9-45.7178.200000111.6D275 A276 M277 K282 E283 I315 F380D275-A279 VanDerWaalsContact O-CB 3.3Å; D275-A279 WeakPolarHBondContact O-CB 3.46Å; D275-A279 PolarHBondContact O-N 3.12Å; A276-A279 PolarHBondContact O-N 3.39Å; M277-A279 PolarHBondContact O-N 3.41Å; A279-K282 PolarHBondContact O-N 3.1Å; A279-E283 PolarHBondContact O-N 3.31Å; A279-I315 HydrophobicContact CB-CG2 3.79Å; A279-F380 HydrophobicContact CB-CD2 4.46Å; A279-F380 HydrophobicContact CB-CE2 3.65Å; A279-F380 HydrophobicContact CB-CZ 4.09Å
280A98.7Very high96.6Very high0 Ų060.5 Ų60.50%028%0.284CS..Hα-helixtrans-63.6-45178.400000112.2M270 A276 M277 K282 E283 V284 L316 I319 L433M270-A280 HydrophobicContact CG-CB 4.47Å; M270-A280 HydrophobicContact SD-CB 3.84Å; A276-A280 VanDerWaalsContact O-CB 3.28Å; A276-A280 WeakPolarHBondContact O-CB 3.32Å; A276-A280 PolarHBondContact O-N 2.89Å; M277-A280 PolarHBondContact O-N 2.87Å; A280-K282 VanDerWaalsContact C-N 3.31Å; A280-K282 PolarHBondContact O-N 2.76Å; A280-E283 PolarHBondContact O-N 3.18Å; A280-V284 WeakPolarHBondContact O-CG2 3.3Å; A280-V284 PolarHBondContact O-N 2.84Å; A280-L316 HydrophobicContact CB-CD2 3.87Å; A280-I319 HydrophobicContact CB-CD1 3.76Å; A280-L433 HydrophobicContact CB-CD1 3.8Å
281Q98.1Very high96.1Very high50 Ų5062 Ų6223%0.23430%0.295CS..Hα-helixtrans-58.5-42.6174.8-74.6179.7-3.200112M277 R285 L433M277-Q281 WeakPolarHBondContact O-CB 3.26Å; M277-Q281 VanDerWaalsContact O-CG 3.25Å; M277-Q281 WeakPolarHBondContact O-CG 3.46Å; M277-Q281 PolarHBondContact O-N 3.32Å; M277-Q281 HydrophobicContact SD-CG 4.12Å; Q281-R285 WeakPolarHBondContact O-CB 3.33Å; Q281-R285 VanDerWaalsContact O-CG 3.24Å; Q281-R285 WeakPolarHBondContact O-CG 3.44Å; Q281-R285 PolarHBondContact O-N 3.14Å; Q281-L433 HydrophobicContact CG-CD2 3.72Å
282K98.1Very high95.5Very high163 Ų16364.1 Ų64.171%0.70932%0.322SS*.Hα-helixtrans-64.5-43.1177.8-176.2-177.8176.4-174.80111.5K278 A279 A280 K286K278-K282 WeakPolarHBondContact O-CB 3.34Å; K278-K282 PolarHBondContact O-N 3.36Å; K278-K282 VanDerWaalsContact O-N 3.1Å; A279-K282 PolarHBondContact O-N 3.1Å; A280-K282 VanDerWaalsContact C-N 3.31Å; A280-K282 PolarHBondContact O-N 2.76Å; K282-K286 WeakPolarHBondContact O-CB 3.43Å; K282-K286 PolarHBondContact O-N 3.43Å; K282-K286 VanDerWaalsContact O-N 3.09Å
283E98.2Very high94.8Very high21 Ų2162 Ų6210%0.09832%0.317CS..Hα-helixtrans-62.6-52.5176.9179.2172.3-97.700111.5A279 A280 R285 K286 V287 M313 P314 I315 L316A279-E283 PolarHBondContact O-N 3.31Å; A280-E283 PolarHBondContact O-N 3.18Å; E283-R285 PolarHBondContact O-N 3.39Å; E283-K286 WeakPolarHBondContact O-CA 3.36Å; E283-K286 WeakPolarHBondContact O-CB 3.14Å; E283-K286 PolarHBondContact O-N 3.36Å; E283-K286 VanDerWaalsContact O-N 3.07Å; E283-V287 HydrophobicContact CG-CG2 4.48Å; E283-V287 PolarHBondContact O-N 3.35Å; E283-M313 VanDerWaalsContact CD-CA 3.45Å; E283-M313 VanDerWaalsContact OE1-C 3.26Å; E283-M313 WeakPolarHBondContact OE1-CA 3.46Å; E283-M313 WeakPolarHBondContact OE2-CA 3.32Å; E283-M313 WeakPolarHBondContact OE2-CB 3.46Å; E283-P314 WeakPolarHBondContact OE1-CD 3.46Å; E283-P314 WeakPolarHBondContact OE1-CG 3.46Å; E283-P314 VanDerWaalsContact OE1-N 3.08Å; E283-I315 HydrophobicContact CB-CB 4.29Å; E283-I315 HydrophobicContact CB-CG1 4.24Å; E283-I315 WeakPolarHBondContact OE1-CB 3.32Å; E283-I315 VanDerWaalsContact OE1-CG1 3.3Å; E283-I315 WeakPolarHBondContact OE1-CG1 3.36Å; E283-I315 PolarHBondContact OE1-N 3.26Å; E283-I315 WeakPolarHBondContact OE2-CB 3.47Å; E283-I315 PolarHBondContact OE2-N 2.82Å; E283-L316 PolarHBondContact OE2-N 3.24Å
284V96.9Very high93.4Very high4 Ų464.8 Ų64.82%0.02433%0.332CS..Hα-helixtrans-58.9-48.2-179.5168.60000111.2A280 K286 V287 L288 L316 T430 L433A280-V284 WeakPolarHBondContact O-CG2 3.3Å; A280-V284 PolarHBondContact O-N 2.84Å; V284-K286 VanDerWaalsContact C-N 3.25Å; V284-K286 PolarHBondContact O-N 2.92Å; V284-V287 PolarHBondContact O-N 3.28Å; V284-L288 HydrophobicContact CG1-CD1 3.87Å; V284-L288 HydrophobicContact CG1-CG 4.24Å; V284-L288 WeakPolarHBondContact O-CG 3.2Å; V284-L288 PolarHBondContact O-N 2.97Å; V284-L316 HydrophobicContact CG2-CD1 3.98Å; V284-T430 HydrophobicContact CG1-CG2 3.89Å; V284-L433 HydrophobicContact CG2-CD1 3.72Å
285R94.8Very high91.9Very high135 Ų13564.1 Ų64.151%0.50932%0.321SS..Hα-helixtrans-58.9-37.5176.4-72178-160.8142.79.1112.3Q281 E283 R289Q281-R285 WeakPolarHBondContact O-CB 3.33Å; Q281-R285 VanDerWaalsContact O-CG 3.24Å; Q281-R285 WeakPolarHBondContact O-CG 3.44Å; Q281-R285 PolarHBondContact O-N 3.14Å; E283-R285 PolarHBondContact O-N 3.39Å; R285-R289 VanDerWaalsContact O-CB 3.31Å; R285-R289 WeakPolarHBondContact O-CB 3.34Å; R285-R289 PolarHBondContact O-N 2.88Å; R285-R289 VanDerWaalsContact O-N 3.15Å
286K95.2Very high90Very high98 Ų9861.4 Ų61.443%0.42631%0.307SS..Hα-helixtrans-65.7-50.1176.5174.2179.4-174.4-54.40110.8K282 E283 V284 L288 R289 D290K282-K286 WeakPolarHBondContact O-CB 3.43Å; K282-K286 PolarHBondContact O-N 3.43Å; K282-K286 VanDerWaalsContact O-N 3.09Å; E283-K286 WeakPolarHBondContact O-CA 3.36Å; E283-K286 WeakPolarHBondContact O-CB 3.14Å; E283-K286 PolarHBondContact O-N 3.36Å; E283-K286 VanDerWaalsContact O-N 3.07Å; V284-K286 VanDerWaalsContact C-N 3.25Å; V284-K286 PolarHBondContact O-N 2.92Å; K286-L288 PolarHBondContact O-N 3.31Å; K286-R289 PolarHBondContact O-N 2.76Å; K286-D290 WeakPolarHBondContact CG-OD2 3.45Å; K286-D290 IonicContact NZ-OD2 3.11Å; K286-D290 PolarHBondContact NZ-OD2 3Å; K286-D290 WeakPolarHBondContact O-CB 3.34Å; K286-D290 PolarHBondContact O-N 3.44Å
287V95.1Very high87.8Confident8 Ų864.1 Ų64.15%0.04833%0.325CS..Hα-helixtrans-63-43.7-178.1174.50000111.2E283 V284 D290 S291 L305 Q309 M313E283-V287 HydrophobicContact CG-CG2 4.48Å; E283-V287 PolarHBondContact O-N 3.35Å; V284-V287 PolarHBondContact O-N 3.28Å; V287-D290 PolarHBondContact O-N 3.21Å; V287-S291 WeakPolarHBondContact O-CB 3.48Å; V287-S291 PolarHBondContact O-N 2.78Å; V287-S291 PolarHBondContact O-OG 2.96Å; V287-L305 HydrophobicContact CG1-CD2 4.26Å; V287-Q309 HydrophobicContact CG1-CB 4.2Å; V287-M313 HydrophobicContact CB-CE 3.9Å; V287-M313 HydrophobicContact CG1-CE 3.59Å; V287-M313 HydrophobicContact CG2-CE 4.15Å; V287-M313 HydrophobicContact CG2-CG 4.08Å
288L91.4Very high85.5Confident5 Ų569 Ų693%0.02635%0.351CS..Hα-helixtrans-60.6-49.1177.4-67.3178.7000111.9V284 K286 D290 S291 G292 L293 M295 L303 L305V284-L288 HydrophobicContact CG1-CD1 3.87Å; V284-L288 HydrophobicContact CG1-CG 4.24Å; V284-L288 WeakPolarHBondContact O-CG 3.2Å; V284-L288 PolarHBondContact O-N 2.97Å; K286-L288 PolarHBondContact O-N 3.31Å; L288-D290 PolarHBondContact O-N 3.08Å; L288-S291 CarbonylContact O-C 3.54Å; L288-S291 WeakPolarHBondContact O-CB 3.45Å; L288-S291 PolarHBondContact O-N 2.83Å; L288-S291 VanDerWaalsContact O-N 3.15Å; L288-G292 PolarHBondContact O-N 3.47Å; L288-L293 HydrophobicContact CB-CB 4.5Å; L288-L293 HydrophobicContact CD2-CB 4.16Å; L288-L293 HydrophobicContact CD2-CD1 3.98Å; L288-L293 PolarHBondContact O-N 2.84Å; L288-M295 HydrophobicContact CD1-CG 4.22Å; L288-M295 HydrophobicContact CD1-SD 4.26Å; L288-L303 HydrophobicContact CD2-CD2 3.94Å; L288-L305 HydrophobicContact CD2-CD2 4.18Å
289R90.9Very high83.5Confident153 Ų15367.7 Ų67.758%0.57735%0.348SS*.Hα-helixtrans-60.6-47.4177.8-175.5-168.963.8-105.2-11.6112.2R285 K286 S291 G292R285-R289 VanDerWaalsContact O-CB 3.31Å; R285-R289 WeakPolarHBondContact O-CB 3.34Å; R285-R289 PolarHBondContact O-N 2.88Å; R285-R289 VanDerWaalsContact O-N 3.15Å; K286-R289 PolarHBondContact O-N 2.76Å; R289-S291 PolarHBondContact O-N 3.32Å; R289-G292 PolarHBondContact O-N 3Å
290D91.7Very high81.3Confident93 Ų9371.3 Ų71.350%0.49737%0.369SS..Hα-helixtrans-67.4-20.3-179.1-62.9-4000111.6K286 V287 L288K286-D290 WeakPolarHBondContact CG-OD2 3.45Å; K286-D290 IonicContact NZ-OD2 3.11Å; K286-D290 PolarHBondContact NZ-OD2 3Å; K286-D290 WeakPolarHBondContact O-CB 3.34Å; K286-D290 PolarHBondContact O-N 3.44Å; V287-D290 PolarHBondContact O-N 3.21Å; L288-D290 PolarHBondContact O-N 3.08Å
291S88.5Confident79.2Confident33 Ų3376.1 Ų76.123%0.23140%0.395CS..THydrogen-bonded Turntrans-89.3-1.1175.2-56.80000113.7V287 L288 R289 L293 Q309V287-S291 WeakPolarHBondContact O-CB 3.48Å; V287-S291 PolarHBondContact O-N 2.78Å; V287-S291 PolarHBondContact O-OG 2.96Å; L288-S291 CarbonylContact O-C 3.54Å; L288-S291 WeakPolarHBondContact O-CB 3.45Å; L288-S291 PolarHBondContact O-N 2.83Å; L288-S291 VanDerWaalsContact O-N 3.15Å; R289-S291 PolarHBondContact O-N 3.32Å; S291-L293 PolarHBondContact O-N 3.38Å; S291-Q309 PolarHBondContact OG-NE2 3.04Å
292G85.2Confident77.9Confident64 Ų6478 Ų7866%0.6641%0.405SS*.THydrogen-bonded Turntrans67.215.6-174.800000114L288 R289L288-G292 PolarHBondContact O-N 3.47Å; R289-G292 PolarHBondContact O-N 3Å
293L82.5Confident77.2Confident38 Ų3870.3 Ų70.320%0.19937%0.371CS..  trans-87.2119.9177.9-64.3174.4000108.9L288 S291 L303 L305L288-L293 HydrophobicContact CB-CB 4.5Å; L288-L293 HydrophobicContact CD2-CB 4.16Å; L288-L293 HydrophobicContact CD2-CD1 3.98Å; L288-L293 PolarHBondContact O-N 2.84Å; S291-L293 PolarHBondContact O-N 3.38Å; L293-L303 HydrophobicContact CB-CD2 4.17Å; L293-L303 HydrophobicContact CD1-CD2 4.38Å; L293-L305 HydrophobicContact CD1-CD2 3.72Å
294T68.1Low76.6Confident84 Ų8471.9 Ų71.952%0.51538%0.38SS..  trans-95.2142.2172.753.50000109.9N296T294-N296 PolarHBondContact O-N 3.47Å; T294-N296 VanDerWaalsContact O-N 3.11Å
295M64.4Low76.3Confident87 Ų8771.7 Ų71.743%0.42938%0.379SS..  trans-83.467.2168.5-66.3169.824.400107.9L288 P297 S434L288-M295 HydrophobicContact CD1-CG 4.22Å; L288-M295 HydrophobicContact CD1-SD 4.26Å; M295-P297 WeakPolarHBondContact O-CD 3.47Å; M295-S434 WeakPolarHBondContact CE-O 3.44Å
296N58.3Low76.2Confident53 Ų5367.8 Ų67.828%0.28337%0.373SS..  trans-94113.3171.6-170.2-5.8000109T294 D298 E299T294-N296 PolarHBondContact O-N 3.47Å; T294-N296 VanDerWaalsContact O-N 3.11Å; N296-D298 VanDerWaalsContact C-N 3.27Å; N296-D298 PolarHBondContact O-N 2.79Å; N296-D298 PolarHBondContact OD1-N 2.78Å; N296-E299 HydrophobicContact CB-CB 4.22Å; N296-E299 CarbonylContact O-C 3.57Å; N296-E299 VanDerWaalsContact O-C 3.24Å
297P52.6Low76.1Confident58 Ų5867.8 Ų67.838%0.37737%0.37SS..SBendtrans-70.6-25.2177.6-24.742.3000112.7M295 N475M295-P297 WeakPolarHBondContact O-CD 3.47Å; P297-N475 WeakPolarHBondContact CG-OD1 3.16Å
298D50.6Low76Confident127 Ų12773.3 Ų73.368%0.67940%0.399SS*.SBendtrans-85-21-179.6-60.1-41.5000112.9N296N296-D298 VanDerWaalsContact C-N 3.27Å; N296-D298 PolarHBondContact O-N 2.79Å; N296-D298 PolarHBondContact OD1-N 2.78Å
299E55.1Low76.2Confident124 Ų12475.4 Ų75.458%0.57941%0.409SS*.SBendtrans-122.382.1167.8-70-175.3171.500108.4N296 N301N296-E299 HydrophobicContact CB-CB 4.22Å; N296-E299 CarbonylContact O-C 3.57Å; N296-E299 VanDerWaalsContact O-C 3.24Å; E299-N301 PolarHBondContact O-N 3.11Å
300P52.4Low76.5Confident99 Ų9968.1 Ų68.164%0.64338%0.381SS*.  trans-71.275.5179.430.1-34.4000109.1M302P300-M302 VanDerWaalsContact C-N 3.3Å; P300-M302 PolarHBondContact O-N 2.84Å
301N56.1Low76.6Confident101 Ų10167.2 Ų67.254%0.5438%0.376SS..  trans-59.7107.5153.4-79.2-19.9000104.8E299 L303E299-N301 PolarHBondContact O-N 3.11Å; N301-L303 PolarHBondContact O-N 3.03Å
302M68.9Low77Confident91 Ų9170.1 Ų70.145%0.44839%0.389SS..  trans-42.6118.8173-174.4-175.6-68.500107.4P300 N304P300-M302 VanDerWaalsContact C-N 3.3Å; P300-M302 PolarHBondContact O-N 2.84Å; M302-N304 PolarHBondContact O-N 2.95Å
303L84.1Confident77.6Confident0 Ų067 Ų670%036%0.358CS..  trans-64.192.2176.4-74.9-175.5000106.7M147 Q151 L288 L293 N301 L431 Y435M147-L303 VanDerWaalsContact CE-O 3.28Å; M147-L303 WeakPolarHBondContact CE-O 3.49Å; M147-L303 WeakPolarHBondContact CG-O 3.37Å; Q151-L303 PolarHBondContact NE2-O 3.25Å; L288-L303 HydrophobicContact CD2-CD2 3.94Å; L293-L303 HydrophobicContact CB-CD2 4.17Å; L293-L303 HydrophobicContact CD1-CD2 4.38Å; N301-L303 PolarHBondContact O-N 3.03Å; L303-L431 HydrophobicContact CB-CD2 4.44Å; L303-L431 HydrophobicContact CD1-CD2 4.1Å; L303-Y435 HydrophobicContact CD1-CE2 3.59Å; L303-Y435 HydrophobicContact CG-CE2 4.36Å
304N85.8Confident78.3Confident54 Ų5466.2 Ų66.229%0.28935%0.354SS..  trans-108.3100.9-178.1-166.111.4000108.2E144 M302E144-N304 PolarHBondContact OE1-ND2 2.96Å; M302-N304 PolarHBondContact O-N 2.95Å
305L90.9Very high79.8Confident0 Ų063.5 Ų63.50%034%0.337CS..  trans-91.5124.4177.8-68174.8000109.7M147 V287 L288 L293 Q309 L310 M313 T430M147-L305 HydrophobicContact CE-CB 4.29Å; M147-L305 HydrophobicContact CE-CD1 4.12Å; M147-L305 HydrophobicContact CE-CG 4.18Å; V287-L305 HydrophobicContact CG1-CD2 4.26Å; L288-L305 HydrophobicContact CD2-CD2 4.18Å; L293-L305 HydrophobicContact CD1-CD2 3.72Å; L305-Q309 VanDerWaalsContact CA-OE1 3.32Å; L305-Q309 HydrophobicContact CB-CB 4.44Å; L305-Q309 HydrophobicContact CD2-CB 4.12Å; L305-L310 HydrophobicContact CB-CD1 4.46Å; L305-L310 HydrophobicContact CB-CD2 3.93Å; L305-L310 HydrophobicContact CB-CG 3.9Å; L305-L310 HydrophobicContact CD1-CD2 3.84Å; L305-M313 HydrophobicContact CD1-CE 3.56Å; L305-T430 HydrophobicContact CD1-CG2 3.92Å
306S91.9Very high81.4Confident54 Ų5459.4 Ų59.438%0.37832%0.316SS..  trans-64.8162.6172.3800000110.8D308 Q309 L310S306-D308 VanDerWaalsContact C-N 3.26Å; S306-D308 PolarHBondContact O-N 2.85Å; S306-D308 PolarHBondContact OG-N 3.5Å; S306-Q309 PolarHBondContact O-N 2.87Å; S306-Q309 PolarHBondContact OG-N 2.92Å; S306-Q309 PolarHBondContact OG-OE1 3.36Å; S306-L310 WeakPolarHBondContact O-CG 3.27Å; S306-L310 PolarHBondContact O-N 3.31Å
307R93.2Very high83.4Confident98 Ų9858.2 Ų58.237%0.3731%0.31SS..Hα-helixtrans-51.9-46.2172.1177.2178.6169.6-169.1-6.3112I143 Q309 L310 D311 Y423I143-R307 HydrophobicContact CD1-CB 4.12Å; I143-R307 HydrophobicContact CD1-CG 4.46Å; R307-Q309 VanDerWaalsContact C-N 3.3Å; R307-Q309 PolarHBondContact O-N 2.9Å; R307-L310 PolarHBondContact O-N 3.01Å; R307-D311 IonicContact NE-OD2 3.92Å; R307-D311 PolarHBondContact NE-OD2 3.31Å; R307-D311 WeakPolarHBondContact O-CB 3.33Å; R307-D311 PolarHBondContact O-N 3.45Å; R307-Y423 HydrophobicContact CG-CE1 4.49Å; R307-Y423 HydrophobicContact CG-CE2 4.27Å; R307-Y423 WeakPolarHBondContact CG-OH 3.3Å; R307-Y423 PolarHBondContact NE-OH 2.79Å
308D93.6Very high85.6Confident123 Ų12355.5 Ų55.566%0.65829%0.292SS*.Hα-helixtrans-65.7-35.5-176.5-64.4-16.5000111.9S306 D311 N312S306-D308 VanDerWaalsContact C-N 3.26Å; S306-D308 PolarHBondContact O-N 2.85Å; S306-D308 PolarHBondContact OG-N 3.5Å; D308-D311 PolarHBondContact O-N 3.35Å; D308-N312 WeakPolarHBondContact O-CB 2.92Å; D308-N312 PolarHBondContact O-N 3.37Å; D308-N312 VanDerWaalsContact O-N 3.13Å
309Q95.2Very high87.9Confident50 Ų5049.4 Ų49.423%0.23426%0.26CS..Hα-helixtrans-68.6-41.6174.9-71.4162.4-21.900111.5V287 S291 L305 S306 R307 N312V287-Q309 HydrophobicContact CG1-CB 4.2Å; S291-Q309 PolarHBondContact OG-NE2 3.04Å; L305-Q309 VanDerWaalsContact CA-OE1 3.32Å; L305-Q309 HydrophobicContact CB-CB 4.44Å; L305-Q309 HydrophobicContact CD2-CB 4.12Å; S306-Q309 PolarHBondContact O-N 2.87Å; S306-Q309 PolarHBondContact OG-N 2.92Å; S306-Q309 PolarHBondContact OG-OE1 3.36Å; R307-Q309 VanDerWaalsContact C-N 3.3Å; R307-Q309 PolarHBondContact O-N 2.9Å; Q309-N312 PolarHBondContact O-N 2.86Å
310L96.6Very high89.9Confident0 Ų043.6 Ų43.60%023%0.233CC..Hα-helixtrans-67.1-36.9175.2-67.4168.9000111.9I143 L305 S306 R307 N312 M313 Y423 K426 Q427I143-L310 HydrophobicContact CG2-CD1 3.69Å; L305-L310 HydrophobicContact CB-CD1 4.46Å; L305-L310 HydrophobicContact CB-CD2 3.93Å; L305-L310 HydrophobicContact CB-CG 3.9Å; L305-L310 HydrophobicContact CD1-CD2 3.84Å; S306-L310 WeakPolarHBondContact O-CG 3.27Å; S306-L310 PolarHBondContact O-N 3.31Å; R307-L310 PolarHBondContact O-N 3.01Å; L310-N312 PolarHBondContact O-N 2.84Å; L310-M313 HydrophobicContact CD2-CE 4.47Å; L310-M313 HydrophobicContact CD2-SD 4.23Å; L310-M313 PolarHBondContact O-N 2.68Å; L310-Y423 HydrophobicContact CB-CD1 3.76Å; L310-Y423 HydrophobicContact CB-CE1 4.07Å; L310-Y423 HydrophobicContact CD1-CD1 3.94Å; L310-Y423 HydrophobicContact CD1-CG 4.14Å; L310-Y423 HydrophobicContact CG-CD1 4.47Å; L310-K426 HydrophobicContact CD2-CB 4.11Å; L310-K426 WeakPolarHBondContact O-CD 3.45Å; L310-K426 PolarHBondContact O-NZ 3.1Å; L310-Q427 HydrophobicContact CD1-CG 4.14Å; L310-Q427 HydrophobicContact CD2-CG 4.08Å
311D95.4Very high92.2Very high73 Ų7340 Ų4039%0.3921%0.207SC..Hα-helixtrans-65.3-26.5174.8-80.6-25.9000111.5R307 D308 M313 Y423R307-D311 IonicContact NE-OD2 3.92Å; R307-D311 PolarHBondContact NE-OD2 3.31Å; R307-D311 WeakPolarHBondContact O-CB 3.33Å; R307-D311 PolarHBondContact O-N 3.45Å; D308-D311 PolarHBondContact O-N 3.35Å; D311-M313 VanDerWaalsContact C-N 3.26Å; D311-M313 PolarHBondContact O-N 2.7Å; D311-Y423 WeakPolarHBondContact OD1-CE1 3.35Å; D311-Y423 PolarHBondContact OD1-OH 2.81Å; D311-Y423 PolarHBondContact OD2-OH 2.86Å
312N95.6Very high94.2Very high94 Ų9435.2 Ų35.250%0.50318%0.182SC..THydrogen-bonded Turntrans-8938.1177.1-162.124.6000114D308 Q309 L310 P314D308-N312 WeakPolarHBondContact O-CB 2.92Å; D308-N312 PolarHBondContact O-N 3.37Å; D308-N312 VanDerWaalsContact O-N 3.13Å; Q309-N312 PolarHBondContact O-N 2.86Å; L310-N312 PolarHBondContact O-N 2.84Å; N312-P314 VanDerWaalsContact C-CD 3.43Å
313M98.1Very high95.6Very high0 Ų030.9 Ų30.90%016%0.16CC..  trans-125.764.7177.5-65.6-179.5172.300111.8E283 V287 L305 L310 D311 I315 L316 D317 K426E283-M313 VanDerWaalsContact CD-CA 3.45Å; E283-M313 VanDerWaalsContact OE1-C 3.26Å; E283-M313 WeakPolarHBondContact OE1-CA 3.46Å; E283-M313 WeakPolarHBondContact OE2-CA 3.32Å; E283-M313 WeakPolarHBondContact OE2-CB 3.46Å; V287-M313 HydrophobicContact CB-CE 3.9Å; V287-M313 HydrophobicContact CG1-CE 3.59Å; V287-M313 HydrophobicContact CG2-CE 4.15Å; V287-M313 HydrophobicContact CG2-CG 4.08Å; L305-M313 HydrophobicContact CD1-CE 3.56Å; L310-M313 HydrophobicContact CD2-CE 4.47Å; L310-M313 HydrophobicContact CD2-SD 4.23Å; L310-M313 PolarHBondContact O-N 2.68Å; D311-M313 VanDerWaalsContact C-N 3.26Å; D311-M313 PolarHBondContact O-N 2.7Å; M313-I315 VanDerWaalsContact C-N 3.32Å; M313-I315 PolarHBondContact O-N 3.03Å; M313-L316 HydrophobicContact CB-CB 4.26Å; M313-L316 PolarHBondContact O-N 3.5Å; M313-L316 HydrophobicContact SD-CD1 3.82Å; M313-D317 PolarHBondContact O-N 2.82Å; M313-K426 HydrophobicContact CB-CD 4.42Å
314P98.4Very high96.3Very high20 Ų2031.1 Ų31.113%0.1316%0.161CC..Hα-helixtrans-61.8-31.5-176.325.1-35.9000114.3E283 N312 D317 S318 L384E283-P314 WeakPolarHBondContact OE1-CD 3.46Å; E283-P314 WeakPolarHBondContact OE1-CG 3.46Å; E283-P314 VanDerWaalsContact OE1-N 3.08Å; N312-P314 VanDerWaalsContact C-CD 3.43Å; P314-D317 WeakPolarHBondContact O-CB 3.03Å; P314-D317 PolarHBondContact O-N 3.39Å; P314-S318 WeakPolarHBondContact O-CB 3.38Å; P314-S318 PolarHBondContact O-N 3.33Å; P314-L384 HydrophobicContact CB-CD2 4.09Å; P314-L384 WeakPolarHBondContact O-CD2 3.36Å
315I98.8Very high96.9Very high28 Ų2828.5 Ų28.514%0.14415%0.147CC..Hα-helixtrans-67.1-50.5177.2-56.4-56.6000110A279 E283 M313 D317 S318 I319 F380 L384A279-I315 HydrophobicContact CB-CG2 3.79Å; E283-I315 HydrophobicContact CB-CB 4.29Å; E283-I315 HydrophobicContact CB-CG1 4.24Å; E283-I315 WeakPolarHBondContact OE1-CB 3.32Å; E283-I315 VanDerWaalsContact OE1-CG1 3.3Å; E283-I315 WeakPolarHBondContact OE1-CG1 3.36Å; E283-I315 PolarHBondContact OE1-N 3.26Å; E283-I315 WeakPolarHBondContact OE2-CB 3.47Å; E283-I315 PolarHBondContact OE2-N 2.82Å; M313-I315 VanDerWaalsContact C-N 3.32Å; M313-I315 PolarHBondContact O-N 3.03Å; I315-D317 VanDerWaalsContact C-N 3.27Å; I315-D317 PolarHBondContact O-N 3.43Å; I315-S318 PolarHBondContact O-N 3.11Å; I315-S318 VanDerWaalsContact O-N 3.11Å; I315-I319 HydrophobicContact CG2-CD1 3.89Å; I315-I319 HydrophobicContact CG2-CG1 4.48Å; I315-I319 WeakPolarHBondContact O-CG1 3.37Å; I315-I319 PolarHBondContact O-N 2.82Å; I315-F380 HydrophobicContact CG2-CD2 4.38Å; I315-F380 HydrophobicContact CG2-CE2 4.41Å; I315-L384 HydrophobicContact CD1-CD1 3.33Å; I315-L384 HydrophobicContact CD1-CD2 4.31Å; I315-L384 HydrophobicContact CD1-CG 4.46Å
316L98.7Very high97.3Very high0 Ų028.7 Ų28.70%015%0.148CC..Hα-helixtrans-61.1-38175.7-72.2-175.2000111.6M270 A280 E283 V284 M313 S318 I319 M320 K426 L429 L433M270-L316 HydrophobicContact SD-CD2 4.42Å; A280-L316 HydrophobicContact CB-CD2 3.87Å; E283-L316 PolarHBondContact OE2-N 3.24Å; V284-L316 HydrophobicContact CG2-CD1 3.98Å; M313-L316 HydrophobicContact CB-CB 4.26Å; M313-L316 PolarHBondContact O-N 3.5Å; M313-L316 HydrophobicContact SD-CD1 3.82Å; L316-S318 VanDerWaalsContact C-N 3.34Å; L316-S318 PolarHBondContact O-N 3.25Å; L316-I319 HydrophobicContact CD2-CD1 4.31Å; L316-I319 PolarHBondContact O-N 3.35Å; L316-M320 WeakPolarHBondContact O-CB 3.36Å; L316-M320 WeakPolarHBondContact O-CG 3.28Å; L316-M320 PolarHBondContact O-N 3.39Å; L316-K426 HydrophobicContact CB-CG 4.32Å; L316-L429 HydrophobicContact CD2-CB 4.33Å; L316-L429 HydrophobicContact CD2-CD1 4.23Å; L316-L433 HydrophobicContact CD2-CD1 4.23Å
317D98.8Very high97.6Very high28 Ų2826.2 Ų26.215%0.1513%0.131CC..Hα-helixtrans-57.6-46.1171.9-87.6-41000112.4M313 P314 I315 M320 K321 K426M313-D317 PolarHBondContact O-N 2.82Å; P314-D317 WeakPolarHBondContact O-CB 3.03Å; P314-D317 PolarHBondContact O-N 3.39Å; I315-D317 VanDerWaalsContact C-N 3.27Å; I315-D317 PolarHBondContact O-N 3.43Å; D317-M320 PolarHBondContact O-N 3.46Å; D317-K321 VanDerWaalsContact O-CB 3.25Å; D317-K321 WeakPolarHBondContact O-CB 3.33Å; D317-K321 WeakPolarHBondContact O-CG 3.33Å; D317-K321 PolarHBondContact O-N 3.45Å; D317-K426 WeakPolarHBondContact OD1-CE 3.22Å; D317-K426 IonicContact OD1-NZ 2.74Å; D317-K426 PolarHBondContact OD1-NZ 2.85Å; D317-K426 IonicContact OD2-NZ 3.59Å; D317-K426 PolarHBondContact OD2-NZ 2.89Å
318S98.9Very high97.9Very high1 Ų121.7 Ų21.71%0.00711%0.114CC..Hα-helixtrans-68.6-41.1-179-171.70000111.9P314 I315 L316 M320 K321 E322 F380 F383P314-S318 WeakPolarHBondContact O-CB 3.38Å; P314-S318 PolarHBondContact O-N 3.33Å; I315-S318 PolarHBondContact O-N 3.11Å; I315-S318 VanDerWaalsContact O-N 3.11Å; L316-S318 VanDerWaalsContact C-N 3.34Å; L316-S318 PolarHBondContact O-N 3.25Å; S318-M320 VanDerWaalsContact C-N 3.34Å; S318-M320 PolarHBondContact O-N 3.42Å; S318-K321 PolarHBondContact O-N 2.87Å; S318-E322 WeakPolarHBondContact O-CB 3.36Å; S318-E322 PolarHBondContact O-N 3.17Å; S318-F380 CarbonylContact C-O 3.55Å; S318-F380 WeakPolarHBondContact CB-O 3.41Å; S318-F380 PolarHBondContact OG-O 2.69Å; S318-F383 PolarHBondContact OG-N 3.01Å
319I98.9Very high98Very high0 Ų015.9 Ų15.90%08%0.084CC..Hα-helixtrans-55.3-50173.8-76.8167.9000110.7M270 A276 A280 I315 L316 A323 Y378 F380M270-I319 HydrophobicContact CB-CG2 4.26Å; M270-I319 HydrophobicContact CG-CD1 4.38Å; M270-I319 HydrophobicContact SD-CD1 4.49Å; A276-I319 HydrophobicContact CB-CD1 4.28Å; A276-I319 HydrophobicContact CB-CG1 4.4Å; A280-I319 HydrophobicContact CB-CD1 3.76Å; I315-I319 HydrophobicContact CG2-CD1 3.89Å; I315-I319 HydrophobicContact CG2-CG1 4.48Å; I315-I319 WeakPolarHBondContact O-CG1 3.37Å; I315-I319 PolarHBondContact O-N 2.82Å; L316-I319 HydrophobicContact CD2-CD1 4.31Å; L316-I319 PolarHBondContact O-N 3.35Å; I319-A323 WeakPolarHBondContact O-CB 3.33Å; I319-A323 PolarHBondContact O-N 2.86Å; I319-Y378 WeakPolarHBondContact CA-OH 3.26Å; I319-Y378 WeakPolarHBondContact CG2-OH 3.12Å; I319-Y378 PolarHBondContact O-OH 3.3Å; I319-F380 HydrophobicContact CG1-CB 4.02Å; I319-F380 HydrophobicContact CG1-CD2 4.4Å
320M98.7Very high98Very high1 Ų114.4 Ų14.41%0.0058%0.078CC..Hα-helixtrans-69.1-42.9-179.2-70.5170.453.600112.2L316 D317 S318 E322 A323 M324 V422 I425 K426 L429L316-M320 WeakPolarHBondContact O-CB 3.36Å; L316-M320 WeakPolarHBondContact O-CG 3.28Å; L316-M320 PolarHBondContact O-N 3.39Å; D317-M320 PolarHBondContact O-N 3.46Å; S318-M320 VanDerWaalsContact C-N 3.34Å; S318-M320 PolarHBondContact O-N 3.42Å; M320-E322 VanDerWaalsContact C-N 3.32Å; M320-E322 PolarHBondContact O-N 2.96Å; M320-A323 PolarHBondContact O-N 2.9Å; M320-M324 HydrophobicContact CB-CE 3.94Å; M320-M324 HydrophobicContact CE-CE 4.3Å; M320-M324 WeakPolarHBondContact O-CB 3.47Å; M320-M324 WeakPolarHBondContact O-CE 3.33Å; M320-M324 WeakPolarHBondContact O-CG 3.3Å; M320-M324 PolarHBondContact O-N 3.41Å; M320-V422 HydrophobicContact CE-CB 4.35Å; M320-V422 HydrophobicContact CE-CG1 4.15Å; M320-V422 HydrophobicContact CE-CG2 4.42Å; M320-I425 HydrophobicContact CE-CB 3.54Å; M320-I425 HydrophobicContact CE-CD1 4.08Å; M320-I425 HydrophobicContact CE-CG1 4.38Å; M320-I425 HydrophobicContact CE-CG2 3.58Å; M320-I425 HydrophobicContact CG-CG2 3.98Å; M320-I425 HydrophobicContact SD-CB 4.12Å; M320-I425 HydrophobicContact SD-CG2 3.69Å; M320-K426 HydrophobicContact CE-CG 4.47Å; M320-K426 HydrophobicContact SD-CG 3.63Å; M320-L429 HydrophobicContact CG-CD1 3.96Å; M320-L429 HydrophobicContact SD-CD1 4.21Å
321K98.9Very high97.8Very high25 Ų2516.1 Ų16.111%0.1099%0.088CC..Hα-helixtrans-61.1-42.3177.2-78.4169.6174.7132.90111.2D317 S318 M324 R325 F383 E390 Y405D317-K321 VanDerWaalsContact O-CB 3.25Å; D317-K321 WeakPolarHBondContact O-CB 3.33Å; D317-K321 WeakPolarHBondContact O-CG 3.33Å; D317-K321 PolarHBondContact O-N 3.45Å; S318-K321 PolarHBondContact O-N 2.87Å; K321-M324 PolarHBondContact O-N 2.77Å; K321-R325 WeakPolarHBondContact O-CB 3.46Å; K321-R325 PolarHBondContact O-N 3.34Å; K321-F383 HydrophobicContact CB-CB 4.39Å; K321-F383 HydrophobicContact CB-CD1 4.37Å; K321-F383 HydrophobicContact CB-CD2 3.55Å; K321-F383 HydrophobicContact CB-CE2 3.83Å; K321-F383 HydrophobicContact CB-CG 3.85Å; K321-F383 HydrophobicContact CB-CZ 4.34Å; K321-F383 HydrophobicContact CD-CB 4.01Å; K321-F383 HydrophobicContact CD-CD1 4.17Å; K321-F383 HydrophobicContact CD-CG 4Å; K321-E390 VanDerWaalsContact CE-OE1 3.28Å; K321-E390 WeakPolarHBondContact CE-OE1 3.32Å; K321-E390 IonicContact NZ-OE1 2.71Å; K321-E390 PolarHBondContact NZ-OE1 3.49Å; K321-Y405 HydrophobicContact CB-CE2 4Å; K321-Y405 HydrophobicContact CG-CE1 3.99Å; K321-Y405 HydrophobicContact CG-CE2 4.14Å; K321-Y405 WeakPolarHBondContact O-CE2 3.44Å
322E98.9Very high97.8Very high0 Ų013.1 Ų13.10%07%0.072CC..Hα-helixtrans-68.2-43.1177.6-178.566.4171.900112.1S318 M320 M324 R325 L326 E377 Y378 K379 R382 F383S318-E322 WeakPolarHBondContact O-CB 3.36Å; S318-E322 PolarHBondContact O-N 3.17Å; M320-E322 VanDerWaalsContact C-N 3.32Å; M320-E322 PolarHBondContact O-N 2.96Å; E322-M324 VanDerWaalsContact C-N 3.32Å; E322-M324 PolarHBondContact O-N 3.16Å; E322-R325 PolarHBondContact O-N 3.09Å; E322-R325 IonicContact OE1-CZ 2.67Å; E322-R325 IonicContact OE1-NE 3.3Å; E322-R325 PolarHBondContact OE1-NE 3.41Å; E322-R325 IonicContact OE1-NH2 2.84Å; E322-R325 PolarHBondContact OE1-NH2 3.49Å; E322-R325 IonicContact OE2-CZ 2.75Å; E322-R325 IonicContact OE2-NE 3.6Å; E322-R325 PolarHBondContact OE2-NE 3.21Å; E322-R325 IonicContact OE2-NH2 3.22Å; E322-L326 PolarHBondContact O-N 2.75Å; E322-L326 VanDerWaalsContact O-N 3.12Å; E322-E377 VanDerWaalsContact OE1-O 3.09Å; E322-Y378 HydrophobicContact CB-CD2 4.15Å; E322-Y378 HydrophobicContact CB-CE2 3.74Å; E322-Y378 HydrophobicContact CG-CD2 3.37Å; E322-Y378 HydrophobicContact CG-CE2 3.49Å; E322-Y378 VanDerWaalsContact CG-CE2 3.49Å; E322-Y378 HydrophobicContact CG-CG 4.11Å; E322-K379 WeakPolarHBondContact CG-O 3.3Å; E322-K379 PolarHBondContact OE1-N 3.49Å; E322-K379 VanDerWaalsContact OE1-N 3.16Å; E322-R382 IonicContact OE1-CZ 3.4Å; E322-R382 IonicContact OE1-NE 3.57Å; E322-R382 PolarHBondContact OE1-NE 3.28Å; E322-R382 IonicContact OE1-NH2 3Å; E322-R382 PolarHBondContact OE1-NH2 3.45Å; E322-R382 WeakPolarHBondContact OE2-CD 3.45Å; E322-R382 IonicContact OE2-NE 2.8Å; E322-R382 PolarHBondContact OE2-NE 3.2Å; E322-R382 VanDerWaalsContact OE2-NE 3.12Å; E322-F383 HydrophobicContact CB-CD2 4.43Å; E322-F383 HydrophobicContact CB-CE2 4.39Å
323A98.8Very high97.7Very high0 Ų09.3 Ų9.30%05%0.051CC..Hα-helixtrans-58.3-44.5174.300000111.6W265 Y269 I319 M320 L326 S327 Y378W265-A323 HydrophobicContact CB-CB 4.01Å; Y269-A323 HydrophobicContact CD2-CB 4.05Å; I319-A323 WeakPolarHBondContact O-CB 3.33Å; I319-A323 PolarHBondContact O-N 2.86Å; M320-A323 PolarHBondContact O-N 2.9Å; A323-L326 PolarHBondContact O-N 3.35Å; A323-S327 WeakPolarHBondContact O-CB 3.46Å; A323-S327 PolarHBondContact O-N 3.27Å; A323-S327 PolarHBondContact O-OG 2.91Å; A323-Y378 HydrophobicContact CB-CE2 4.46Å
324M98.8Very high97.5Very high4 Ų49.5 Ų9.52%0.025%0.052CC..Hα-helixtrans-71.6-32.4176.6-75.8-174.6-88.600113.5A262 M320 K321 E322 L326 S327 S328 Y405 P407 F408 I459A262-M324 HydrophobicContact CB-CG 4.32Å; M320-M324 HydrophobicContact CB-CE 3.94Å; M320-M324 HydrophobicContact CE-CE 4.3Å; M320-M324 WeakPolarHBondContact O-CB 3.47Å; M320-M324 WeakPolarHBondContact O-CE 3.33Å; M320-M324 WeakPolarHBondContact O-CG 3.3Å; M320-M324 PolarHBondContact O-N 3.41Å; K321-M324 PolarHBondContact O-N 2.77Å; E322-M324 VanDerWaalsContact C-N 3.32Å; E322-M324 PolarHBondContact O-N 3.16Å; M324-L326 VanDerWaalsContact C-N 3.27Å; M324-L326 PolarHBondContact O-N 2.85Å; M324-S327 WeakPolarHBondContact CA-OG 3.45Å; M324-S327 PolarHBondContact O-N 3.43Å; M324-S328 WeakPolarHBondContact O-CB 3.47Å; M324-S328 PolarHBondContact O-N 3.48Å; M324-Y405 HydrophobicContact CB-CE2 4.37Å; M324-Y405 VanDerWaalsContact CE-OH 3.23Å; M324-Y405 WeakPolarHBondContact CE-OH 3.45Å; M324-P407 HydrophobicContact CB-CB 4.16Å; M324-P407 HydrophobicContact CB-CG 4.07Å; M324-P407 HydrophobicContact SD-CB 4.44Å; M324-P407 HydrophobicContact SD-CG 4.26Å; M324-F408 HydrophobicContact CE-CE2 4.17Å; M324-F408 HydrophobicContact CE-CZ 4.21Å; M324-F408 HydrophobicContact SD-CE2 3.91Å; M324-F408 HydrophobicContact SD-CZ 3.76Å; M324-I459 HydrophobicContact CB-CD1 4.34Å; M324-I459 HydrophobicContact CG-CD1 4.08Å
325R98.8Very high97.4Very high0 Ų09 Ų90%05%0.048CC..Hα-helixtrans-59.6-42.7173.7-175.6-16766.974.60.1110.3K321 E322 H366 P375 E377 F383K321-R325 WeakPolarHBondContact O-CB 3.46Å; K321-R325 PolarHBondContact O-N 3.34Å; E322-R325 PolarHBondContact O-N 3.09Å; E322-R325 IonicContact OE1-CZ 2.67Å; E322-R325 IonicContact OE1-NE 3.3Å; E322-R325 PolarHBondContact OE1-NE 3.41Å; E322-R325 IonicContact OE1-NH2 2.84Å; E322-R325 PolarHBondContact OE1-NH2 3.49Å; E322-R325 IonicContact OE2-CZ 2.75Å; E322-R325 IonicContact OE2-NE 3.6Å; E322-R325 PolarHBondContact OE2-NE 3.21Å; E322-R325 IonicContact OE2-NH2 3.22Å; R325-H366 HydrophobicContact CG-CB 3.7Å; R325-H366 PolarHBondContact NH1-O 2.85Å; R325-P375 VanDerWaalsContact CZ-O 3.3Å; R325-P375 PolarHBondContact NH1-O 2.93Å; R325-P375 PolarHBondContact NH2-O 3.47Å; R325-E377 PolarHBondContact NH2-O 3.37Å; R325-F383 HydrophobicContact CB-CE2 4.4Å; R325-F383 HydrophobicContact CB-CZ 4.41Å
326L98.8Very high97.4Very high4 Ų47.7 Ų7.72%0.0214%0.042CC..Hα-helixtrans-76.2-35.3179-71.2172000112.7Y269 E322 A323 M324 Y367 P375 Y378 L450Y269-L326 HydrophobicContact CE1-CD1 4.45Å; Y269-L326 HydrophobicContact CE2-CD1 4.2Å; E322-L326 PolarHBondContact O-N 2.75Å; E322-L326 VanDerWaalsContact O-N 3.12Å; A323-L326 PolarHBondContact O-N 3.35Å; M324-L326 VanDerWaalsContact C-N 3.27Å; M324-L326 PolarHBondContact O-N 2.85Å; L326-Y367 WeakPolarHBondContact CA-OH 3.34Å; L326-Y367 HydrophobicContact CD2-CE1 3.65Å; L326-Y367 PolarHBondContact O-OH 3Å; L326-P375 WeakPolarHBondContact CD2-O 3.31Å; L326-Y378 HydrophobicContact CD1-CD2 4.05Å; L326-L450 VanDerWaalsContact O-CD1 3.31Å; L326-L450 WeakPolarHBondContact O-CD1 3.39Å
327S98.6Very high97.3Very high1 Ų112 Ų121%0.0076%0.06CC..Hα-helixtrans-97.1-13.5-17356.90000115.2A323 M324 I459 L460A323-S327 WeakPolarHBondContact O-CB 3.46Å; A323-S327 PolarHBondContact O-N 3.27Å; A323-S327 PolarHBondContact O-OG 2.91Å; M324-S327 WeakPolarHBondContact CA-OG 3.45Å; M324-S327 PolarHBondContact O-N 3.43Å; S327-I459 WeakPolarHBondContact OG-CG2 3.39Å; S327-L460 WeakPolarHBondContact O-CB 3.31Å; S327-L460 PolarHBondContact O-N 2.75Å
328S98.2Very high97.3Very high3 Ų314.9 Ų14.92%0.0217%0.073CC..BIsolated β-bridgetrans-73.7136.3-179.9-173.20000112.3M324 S330 P363 P407M324-S328 WeakPolarHBondContact O-CB 3.47Å; M324-S328 PolarHBondContact O-N 3.48Å; S328-S330 PolarHBondContact OG-OG 3.27Å; S328-P363 WeakPolarHBondContact O-CG 3.16Å; S328-P407 WeakPolarHBondContact OG-CA 3.28Å
329A96Very high97.3Very high2 Ų219.6 Ų19.62%0.01710%0.098CC..  trans-138.435.2172.500000112Y361 P363 G456 G458 L460A329-Y361 HydrophobicContact CB-CE2 4.39Å; A329-P363 HydrophobicContact CB-CG 4.38Å; A329-G456 WeakPolarHBondContact O-CA 3.36Å; A329-G456 PolarHBondContact O-N 2.99Å; A329-G458 PolarHBondContact N-O 3.37Å; A329-L460 HydrophobicContact CB-CD1 3.65Å; A329-L460 HydrophobicContact CB-CD2 3.75Å; A329-L460 HydrophobicContact CB-CG 3.62Å
330S94.4Very high97.2Very high18 Ų1820.4 Ų20.413%0.12610%0.102CC..BIsolated β-bridgetrans-60.6146.4-178.9-55.20000112.7S328 P362 P407 G458S328-S330 PolarHBondContact OG-OG 3.27Å; S330-P362 VanDerWaalsContact O-CD 3.23Å; S330-P362 WeakPolarHBondContact O-CD 3.35Å; S330-P407 PolarHBondContact OG-O 2.86Å; S330-G458 WeakPolarHBondContact OG-CA 3.25Å
331L93.2Very high97.2Very high37 Ų3724.1 Ų24.119%0.19412%0.121CC..  trans-104.4118.8164.3-80.6168.4000109.7F49 F79 I333 A359 Y361 G456F49-L331 HydrophobicContact CE1-CD1 4.37Å; F49-L331 HydrophobicContact CZ-CD1 4.13Å; F49-L331 HydrophobicContact CZ-CD2 4.33Å; F79-L331 HydrophobicContact CE1-CD2 4.04Å; L331-I333 HydrophobicContact CB-CD1 4.05Å; L331-I333 HydrophobicContact CB-CG1 4.16Å; L331-I333 PolarHBondContact O-N 3.1Å; L331-A359 HydrophobicContact CD2-CB 4.28Å; L331-Y361 HydrophobicContact CD2-CD2 3.62Å; L331-Y361 HydrophobicContact CD2-CE2 4.45Å; L331-Y361 HydrophobicContact CD2-CG 4.35Å; L331-Y361 HydrophobicContact CG-CD2 4.1Å; L331-G456 PolarHBondContact N-O 2.88Å
332N94.8Very high97.1Very high10 Ų1023.1 Ų23.15%0.05312%0.117CC..EExtended strand (participates in β ladder)trans-91.2106.2174.6-166.9-31.8000109.3R334 A359 L360 T413N332-R334 PolarHBondContact OD1-NH1 2.96Å; N332-A359 CarbonylContact O-C 3.52Å; N332-A359 WeakPolarHBondContact O-CA 3.48Å; N332-L360 HydrophobicContact CB-CB 4.07Å; N332-L360 HydrophobicContact CB-CD1 4.45Å; N332-L360 HydrophobicContact CB-CG 4.38Å; N332-L360 PolarHBondContact N-O 3.31Å; N332-L360 PolarHBondContact O-N 3.17Å; N332-T413 PolarHBondContact ND2-OG1 3.23Å; N332-T413 PolarHBondContact OD1-OG1 3.25Å; N332-T413 VanDerWaalsContact OD1-OG1 3.06Å
333I93.4Very high97Very high13 Ų1328.7 Ų28.77%0.06714%0.143CC..EExtended strand (participates in β ladder)trans-108140.6-167.6-73.8170.4000112F101 L331 V357 I358 A359F101-I333 HydrophobicContact CB-CG2 3.83Å; F101-I333 HydrophobicContact CD1-CB 4.42Å; F101-I333 HydrophobicContact CD1-CD1 3.97Å; F101-I333 HydrophobicContact CD1-CG2 3.84Å; F101-I333 HydrophobicContact CD2-CG2 4.12Å; F101-I333 HydrophobicContact CE1-CD1 3.54Å; F101-I333 HydrophobicContact CE1-CG2 4.47Å; F101-I333 HydrophobicContact CE2-CD1 4.38Å; F101-I333 HydrophobicContact CG-CG2 3.65Å; F101-I333 HydrophobicContact CZ-CD1 3.77Å; L331-I333 HydrophobicContact CB-CD1 4.05Å; L331-I333 HydrophobicContact CB-CG1 4.16Å; L331-I333 PolarHBondContact O-N 3.1Å; I333-V357 HydrophobicContact CG1-CG1 4.33Å; I333-V357 HydrophobicContact CG2-CG1 3.75Å; I333-I358 WeakPolarHBondContact CA-O 3.35Å; I333-A359 HydrophobicContact CG1-CB 4.38Å
334R95.6Very high96.8Very high4 Ų429.2 Ų29.22%0.01515%0.146CC..EExtended strand (participates in β ladder)trans-132.9151.1167.4-67.5-62.4-179.5-77.3-1.6109.9V89 L96 D97 N332 V357 I358 T413V89-R334 HydrophobicContact CG1-CB 4.37Å; V89-R334 HydrophobicContact CG1-CG 3.8Å; L96-R334 HydrophobicContact CB-CB 4.05Å; L96-R334 HydrophobicContact CB-CG 4.29Å; L96-R334 HydrophobicContact CD1-CB 3.96Å; L96-R334 HydrophobicContact CD1-CG 4.06Å; L96-R334 HydrophobicContact CD2-CB 4.32Å; L96-R334 HydrophobicContact CG-CB 4.35Å; D97-R334 CarbonylContact O-C 3.54Å; D97-R334 WeakPolarHBondContact O-CA 3.41Å; N332-R334 PolarHBondContact OD1-NH1 2.96Å; R334-V357 CarbonylContact O-C 3.59Å; R334-V357 WeakPolarHBondContact O-CA 3.32Å; R334-I358 PolarHBondContact N-O 3.31Å; R334-I358 PolarHBondContact O-N 2.84Å; R334-T413 PolarHBondContact NH1-OG1 2.92Å; R334-T413 PolarHBondContact NH2-OG1 2.81Å
335V96.6Very high96.6Very high9 Ų931.4 Ų31.46%0.05516%0.157CC..EExtended strand (participates in β ladder)trans-115.2132.3174.7-174.70000109.4L96 D97 K100 F101 K337 D356 V357L96-V335 WeakPolarHBondContact CA-O 3.31Å; D97-V335 PolarHBondContact N-O 3.35Å; D97-V335 PolarHBondContact O-N 2.97Å; K100-V335 HydrophobicContact CD-CG1 4.18Å; F101-V335 HydrophobicContact CB-CG2 3.89Å; V335-K337 PolarHBondContact O-N 3.13Å; V335-D356 WeakPolarHBondContact CA-O 3.47Å; V335-V357 HydrophobicContact CG2-CG2 4.47Å
336A98.1Very high96.2Very high1 Ų134.1 Ų34.11%0.00817%0.172CC..EExtended strand (participates in β ladder)trans-67.8125.8175.500000111.1L96 F340 I352 R353 D355 D356L96-A336 HydrophobicContact CD2-CB 4.42Å; A336-F340 HydrophobicContact CB-CD1 4.37Å; A336-F340 HydrophobicContact CB-CE1 3.98Å; A336-I352 HydrophobicContact CB-CG2 3.87Å; A336-R353 VanDerWaalsContact CB-O 3.24Å; A336-R353 WeakPolarHBondContact CB-O 3.29Å; A336-D355 PolarHBondContact O-N 2.99Å; A336-D356 PolarHBondContact N-O 3.06Å
337K97.3Very high95.9Very high91 Ų9142.9 Ų42.940%0.39621%0.212SC..SBendtrans-76.4-29.1177.6-67.2174.7-178.8168.60112.5G93 R94 H95 L96 D97 V335 K354G93-K337 PolarHBondContact O-NZ 3.13Å; R94-K337 WeakPolarHBondContact O-CD 3.28Å; H95-K337 WeakPolarHBondContact O-CB 3.26Å; H95-K337 PolarHBondContact O-N 3.42Å; L96-K337 WeakPolarHBondContact O-CE 3.1Å; L96-K337 PolarHBondContact O-NZ 2.9Å; D97-K337 HydrophobicContact CB-CD 4.4Å; D97-K337 HydrophobicContact CB-CG 3.82Å; V335-K337 PolarHBondContact O-N 3.13Å; K337-K354 WeakPolarHBondContact O-CD 3.26Å; K337-K354 WeakPolarHBondContact O-CE 3.21Å; K337-K354 WeakPolarHBondContact O-CG 3.47Å
338E97.8Very high95.7Very high89 Ų8946.5 Ų46.542%0.41623%0.229SC..SBendtrans-153.2169.2-176.162.1-170.9168.200109.6H95 F340H95-E338 IonicContact CE1-OE1 3.22Å; H95-E338 PolarHBondContact CE1-OE1 3.4Å; H95-E338 VanDerWaalsContact CE1-OE1 3.22Å; H95-E338 IonicContact CG-OE1 3.93Å; H95-E338 IonicContact ND1-OE1 2.68Å; H95-E338 PolarHBondContact ND1-OE1 3.4Å; E338-F340 PolarHBondContact O-N 3.02Å
339D98.1Very high95.6Very high99 Ų9948.2 Ų48.253%0.52924%0.244SC..  trans-65.5127.5168.4-73.413.6000108.8I352 R353 K354D339-I352 VanDerWaalsContact CA-O 3.3Å; D339-I352 WeakPolarHBondContact CA-O 3.2Å; D339-R353 WeakPolarHBondContact OD1-CA 3.45Å; D339-K354 WeakPolarHBondContact OD1-CB 3.39Å; D339-K354 PolarHBondContact OD1-N 3.33Å
340F98.1Very high95.7Very high18 Ų1850 Ų508%0.07925%0.25CS..EExtended strand (participates in β ladder)trans-150.6167.3-179.880.3-75.4000112.3H95 L96 A336 E338 L342 I352 I358H95-F340 HydrophobicContact CB-CB 4.09Å; H95-F340 HydrophobicContact CB-CD1 3.86Å; H95-F340 HydrophobicContact CB-CD2 3.75Å; H95-F340 HydrophobicContact CB-CE1 4.22Å; H95-F340 HydrophobicContact CB-CE2 4.13Å; H95-F340 HydrophobicContact CB-CG 3.62Å; H95-F340 HydrophobicContact CB-CZ 4.36Å; H95-F340 AromaticContact CD2-CD2 3.97Å; H95-F340 AromaticContact CG-CD2 3.91Å; H95-F340 AromaticContact CG-CG 3.86Å; L96-F340 HydrophobicContact CD2-CE1 3.71Å; L96-F340 HydrophobicContact CD2-CZ 3.64Å; L96-F340 HydrophobicContact CG-CZ 4.17Å; A336-F340 HydrophobicContact CB-CD1 4.37Å; A336-F340 HydrophobicContact CB-CE1 3.98Å; E338-F340 PolarHBondContact O-N 3.02Å; F340-L342 HydrophobicContact CE2-CB 3.85Å; F340-L342 HydrophobicContact CE2-CD1 4.06Å; F340-L342 HydrophobicContact CZ-CB 4.19Å; F340-L342 HydrophobicContact CZ-CD1 4.35Å; F340-I352 HydrophobicContact CD1-CB 3.95Å; F340-I352 HydrophobicContact CD1-CG2 4.39Å; F340-I352 HydrophobicContact CE1-CB 3.55Å; F340-I352 HydrophobicContact CE1-CG1 4.03Å; F340-I352 HydrophobicContact CE1-CG2 3.72Å; F340-I352 HydrophobicContact CZ-CB 4.08Å; F340-I352 HydrophobicContact CZ-CG1 4.01Å; F340-I352 HydrophobicContact CZ-CG2 4.42Å; F340-I352 PolarHBondContact N-O 3.1Å; F340-I352 PolarHBondContact O-N 3.17Å; F340-I358 HydrophobicContact CE1-CD1 4.45Å; F340-I358 HydrophobicContact CZ-CD1 3.98Å
341L97.6Very high95.9Very high79 Ų7954.6 Ų54.641%0.41427%0.265SS..EExtended strand (participates in β ladder)trans-98.7114175.3-168.466.4000109.7A349 R351L341-A349 HydrophobicContact CD1-CB 3.83Å; L341-A349 HydrophobicContact CD2-CB 3.92Å; L341-A349 HydrophobicContact CG-CB 3.81Å; L341-R351 HydrophobicContact CD1-CG 3.98Å
342L97.4Very high96.1Very high3 Ų353 Ų532%0.01626%0.256CS..EExtended strand (participates in β ladder)trans-85.1112.5174.8178.670.4000109.4I67 V89 F340 L344 A349 Y350 I352 I358I67-L342 HydrophobicContact CD1-CD2 3.92Å; V89-L342 HydrophobicContact CG2-CD1 4.34Å; V89-L342 HydrophobicContact CG2-CD2 4.5Å; F340-L342 HydrophobicContact CE2-CB 3.85Å; F340-L342 HydrophobicContact CE2-CD1 4.06Å; F340-L342 HydrophobicContact CZ-CB 4.19Å; F340-L342 HydrophobicContact CZ-CD1 4.35Å; L342-L344 HydrophobicContact CD2-CD2 3.89Å; L342-L344 HydrophobicContact CG-CD2 3.97Å; L342-A349 CarbonylContact O-C 3.59Å; L342-A349 VanDerWaalsContact O-CA 3.29Å; L342-A349 WeakPolarHBondContact O-CA 3.32Å; L342-Y350 PolarHBondContact N-O 2.88Å; L342-Y350 PolarHBondContact O-N 3.18Å; L342-I352 HydrophobicContact CB-CD1 4.47Å; L342-I352 HydrophobicContact CB-CG1 3.83Å; L342-I352 HydrophobicContact CD2-CG1 4.48Å; L342-I358 HydrophobicContact CD2-CD1 4.22Å
343H96.3Very high96.3Very high118 Ų11855.2 Ų55.255%0.54626%0.264SS..EExtended strand (participates in β ladder)trans-88.4129.5174.1-65.8-88.1000110.9S88S88-H343 WeakPolarHBondContact CB-O 3.4Å
344L95.6Very high96.5Very high11 Ų1160 Ų606%0.05828%0.284CS..  trans-98.1169177.7-59-166.1000111.1I67 L80 S85 L342 N346 Q347 E348 Y350I67-L344 HydrophobicContact CG2-CD1 4.19Å; L80-L344 HydrophobicContact CD1-CD1 4.06Å; L80-L344 HydrophobicContact CD1-CD2 3.86Å; L80-L344 HydrophobicContact CD2-CD2 4.37Å; S85-L344 WeakPolarHBondContact OG-CB 3.26Å; L342-L344 HydrophobicContact CD2-CD2 3.89Å; L342-L344 HydrophobicContact CG-CD2 3.97Å; L344-N346 VanDerWaalsContact C-N 3.31Å; L344-N346 WeakPolarHBondContact CB-OD1 3.05Å; L344-N346 PolarHBondContact O-N 2.81Å; L344-Q347 PolarHBondContact O-N 3.35Å; L344-E348 PolarHBondContact N-O 3.05Å; L344-Y350 HydrophobicContact CD1-CD2 3.88Å; L344-Y350 HydrophobicContact CD1-CE2 3.54Å; L344-Y350 HydrophobicContact CG-CD2 4.1Å; L344-Y350 HydrophobicContact CG-CE2 4.17Å
345D94.4Very high96.5Very high50 Ų5063.7 Ų63.727%0.26731%0.305SS..THydrogen-bonded Turntrans-68.8-31.4-178.5-173.295.6000112.6F84 S85 H87 Q347 R399F84-D345 HydrophobicContact CB-CB 4.23Å; S85-D345 WeakPolarHBondContact OG-CB 3.47Å; S85-D345 PolarHBondContact OG-N 3.45Å; H87-D345 IonicContact CE1-OD1 3.11Å; H87-D345 PolarHBondContact CE1-OD1 2.6Å; D345-Q347 PolarHBondContact O-N 3.23Å; D345-Q347 VanDerWaalsContact O-N 3.13Å; D345-R399 VanDerWaalsContact CG-NH2 3.3Å; D345-R399 IonicContact OD1-CZ 2.92Å; D345-R399 IonicContact OD1-NH1 2.92Å; D345-R399 IonicContact OD1-NH2 2.64Å; D345-R399 PolarHBondContact OD1-NH2 3.18Å; D345-R399 IonicContact OD2-CZ 3.29Å; D345-R399 VanDerWaalsContact OD2-CZ 3.3Å; D345-R399 IonicContact OD2-NH1 2.73Å; D345-R399 PolarHBondContact OD2-NH1 2.88Å; D345-R399 IonicContact OD2-NH2 3.41Å; D345-R399 PolarHBondContact OD2-NH2 3.13Å; D345-R399 VanDerWaalsContact OD2-NH2 3.11Å
346N90.8Very high96.6Very high57 Ų5763.8 Ų63.831%0.30531%0.305SS..THydrogen-bonded Turntrans-77.716176.869.1-12.9000113.9L344 E348L344-N346 VanDerWaalsContact C-N 3.31Å; L344-N346 WeakPolarHBondContact CB-OD1 3.05Å; L344-N346 PolarHBondContact O-N 2.81Å; N346-E348 WeakPolarHBondContact ND2-CG 3.49Å; N346-E348 PolarHBondContact ND2-OE2 3.33Å; N346-E348 PolarHBondContact O-N 3.02Å; N346-E348 WeakPolarHBondContact OD1-CB 3.46Å; N346-E348 PolarHBondContact OD1-N 3.19Å
347Q91.9Very high96.5Very high187 Ų18763.9 Ų63.987%0.87431%0.305SS*.SBendtrans680.9-177.3-50.21780.700115.6L344 D345L344-Q347 PolarHBondContact O-N 3.35Å; D345-Q347 PolarHBondContact O-N 3.23Å; D345-Q347 VanDerWaalsContact O-N 3.13Å
348E95Very high96.5Very high78 Ų7859.6 Ų59.636%0.36429%0.286SS..  trans-72.9155.5171.6-63.8-179.1158.800111.6L344 N346 Y350L344-E348 PolarHBondContact N-O 3.05Å; N346-E348 WeakPolarHBondContact ND2-CG 3.49Å; N346-E348 PolarHBondContact ND2-OE2 3.33Å; N346-E348 PolarHBondContact O-N 3.02Å; N346-E348 WeakPolarHBondContact OD1-CB 3.46Å; N346-E348 PolarHBondContact OD1-N 3.19Å; E348-Y350 HydrophobicContact CB-CD2 4.46Å; E348-Y350 HydrophobicContact CB-CE2 3.64Å; E348-Y350 WeakPolarHBondContact OE2-CE2 3.46Å; E348-Y350 PolarHBondContact OE2-OH 2.86Å
349A96.3Very high96.5Very high39 Ų3955.4 Ų55.432%0.32227%0.267SS..EExtended strand (participates in β ladder)trans-140.3132.9-179.200000111.4L341 L342L341-A349 HydrophobicContact CD1-CB 3.83Å; L341-A349 HydrophobicContact CD2-CB 3.92Å; L341-A349 HydrophobicContact CG-CB 3.81Å; L342-A349 CarbonylContact O-C 3.59Å; L342-A349 VanDerWaalsContact O-CA 3.29Å; L342-A349 WeakPolarHBondContact O-CA 3.32Å
350Y97.8Very high96.5Very high38 Ų3850.7 Ų50.715%0.14924%0.242CC..EExtended strand (participates in β ladder)trans-127.2131.8-173.7-65.2-90.6000111.7G31 P33 I67 L342 L344 E348 I352G31-Y350 CarbonylContact O-C 3.56Å; G31-Y350 WeakPolarHBondContact O-CA 3.41Å; P33-Y350 HydrophobicContact CB-CD1 4.2Å; P33-Y350 HydrophobicContact CG-CD1 3.77Å; P33-Y350 HydrophobicContact CG-CG 4.13Å; I67-Y350 HydrophobicContact CG2-CD1 3.83Å; I67-Y350 HydrophobicContact CG2-CD2 3.61Å; I67-Y350 HydrophobicContact CG2-CE1 3.56Å; I67-Y350 HydrophobicContact CG2-CE2 3.35Å; I67-Y350 HydrophobicContact CG2-CG 3.83Å; L342-Y350 PolarHBondContact N-O 2.88Å; L342-Y350 PolarHBondContact O-N 3.18Å; L344-Y350 HydrophobicContact CD1-CD2 3.88Å; L344-Y350 HydrophobicContact CD1-CE2 3.54Å; L344-Y350 HydrophobicContact CG-CD2 4.1Å; L344-Y350 HydrophobicContact CG-CE2 4.17Å; E348-Y350 HydrophobicContact CB-CD2 4.46Å; E348-Y350 HydrophobicContact CB-CE2 3.64Å; E348-Y350 WeakPolarHBondContact OE2-CE2 3.46Å; E348-Y350 PolarHBondContact OE2-OH 2.86Å; Y350-I352 PolarHBondContact O-N 3.22Å
351R98.2Very high96.4Very high116 Ų11650.1 Ų50.144%0.43824%0.239SC..EExtended strand (participates in β ladder)trans-74.3122174.4-66.1179.672.4178.52.3109.2A30 G31 E32 L341A30-R351 VanDerWaalsContact O-CD 3.29Å; A30-R351 WeakPolarHBondContact O-CD 3.11Å; G31-R351 PolarHBondContact O-N 2.94Å; E32-R351 HydrophobicContact CG-CB 4.2Å; L341-R351 HydrophobicContact CD1-CG 3.98Å
352I98.3Very high96.4Very high2 Ų246.4 Ų46.41%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-110.3129.8175.6-53.3-53.3000107.5P33 A336 D339 F340 L342 Y350 D356 I358P33-I352 HydrophobicContact CG-CD1 4.34Å; A336-I352 HydrophobicContact CB-CG2 3.87Å; D339-I352 VanDerWaalsContact CA-O 3.3Å; D339-I352 WeakPolarHBondContact CA-O 3.2Å; F340-I352 HydrophobicContact CD1-CB 3.95Å; F340-I352 HydrophobicContact CD1-CG2 4.39Å; F340-I352 HydrophobicContact CE1-CB 3.55Å; F340-I352 HydrophobicContact CE1-CG1 4.03Å; F340-I352 HydrophobicContact CE1-CG2 3.72Å; F340-I352 HydrophobicContact CZ-CB 4.08Å; F340-I352 HydrophobicContact CZ-CG1 4.01Å; F340-I352 HydrophobicContact CZ-CG2 4.42Å; F340-I352 PolarHBondContact N-O 3.1Å; F340-I352 PolarHBondContact O-N 3.17Å; L342-I352 HydrophobicContact CB-CD1 4.47Å; L342-I352 HydrophobicContact CB-CG1 3.83Å; L342-I352 HydrophobicContact CD2-CG1 4.48Å; Y350-I352 PolarHBondContact O-N 3.22Å; I352-D356 HydrophobicContact CG2-CB 4.2Å; I352-I358 HydrophobicContact CG1-CD1 4.23Å; I352-I358 HydrophobicContact CG2-CD1 4.24Å; I352-I358 HydrophobicContact CG2-CG1 4.35Å
353R98.1Very high96.4Very high57 Ų5746.4 Ų46.422%0.21522%0.22CC..  trans-80.6150.4176.3-64.5-173.9-156.6169.412.4110.6R27 E32 A336 D339 D356R27-R353 PolarHBondContact O-NH2 3Å; E32-R353 VanDerWaalsContact CD-NH2 3.3Å; E32-R353 WeakPolarHBondContact OE1-CG 3.22Å; E32-R353 IonicContact OE1-CZ 2.79Å; E32-R353 VanDerWaalsContact OE1-CZ 3.26Å; E32-R353 IonicContact OE1-NE 2.63Å; E32-R353 PolarHBondContact OE1-NE 3.5Å; E32-R353 IonicContact OE1-NH2 2.99Å; E32-R353 PolarHBondContact OE1-NH2 2.93Å; E32-R353 VanDerWaalsContact OE1-NH2 3.11Å; E32-R353 IonicContact OE2-CZ 3.8Å; E32-R353 IonicContact OE2-NE 3.27Å; E32-R353 IonicContact OE2-NH2 3.99Å; E32-R353 PolarHBondContact OE2-NH2 2.89Å; A336-R353 VanDerWaalsContact CB-O 3.24Å; A336-R353 WeakPolarHBondContact CB-O 3.29Å; D339-R353 WeakPolarHBondContact OD1-CA 3.45Å; R353-D356 VanDerWaalsContact O-CB 3.31Å; R353-D356 WeakPolarHBondContact O-CB 3.43Å; R353-D356 PolarHBondContact O-N 2.67Å
354K97.6Very high96.4Very high114 Ų11441.3 Ų41.350%0.49620%0.197SC..THydrogen-bonded Turntrans-48.5142.1167.7-178.1174.3176.5-176.80110.7K337 D339 D356K337-K354 WeakPolarHBondContact O-CD 3.26Å; K337-K354 WeakPolarHBondContact O-CE 3.21Å; K337-K354 WeakPolarHBondContact O-CG 3.47Å; D339-K354 WeakPolarHBondContact OD1-CB 3.39Å; D339-K354 PolarHBondContact OD1-N 3.33Å; K354-D356 PolarHBondContact O-N 2.99Å; K354-D356 VanDerWaalsContact O-N 3.1Å
355D95.9Very high96.5Very high82 Ų8240.9 Ų40.944%0.43919%0.194SC..THydrogen-bonded Turntrans66.6-4.5-179.8-61.8-51.9000116.1K100 A336K100-D355 IonicContact NZ-OD1 2.95Å; K100-D355 PolarHBondContact NZ-OD1 2.59Å; A336-D355 PolarHBondContact O-N 2.99Å
356D97.3Very high96.7Very high11 Ų1138.5 Ų38.56%0.05918%0.182CC..  trans-65.3150.8167.6-73.1-14.3000111.2R26 H78 V335 A336 I352 R353 K354R26-D356 IonicContact CZ-OD1 3.95Å; R26-D356 IonicContact CZ-OD2 3.32Å; R26-D356 VanDerWaalsContact CZ-OD2 3.27Å; R26-D356 IonicContact NH1-OD1 2.68Å; R26-D356 PolarHBondContact NH1-OD1 2.69Å; R26-D356 IonicContact NH1-OD2 3.52Å; R26-D356 PolarHBondContact NH1-OD2 2.99Å; R26-D356 IonicContact NH2-OD1 3.88Å; R26-D356 IonicContact NH2-OD2 3.68Å; R26-D356 PolarHBondContact NH2-OD2 2.87Å; H78-D356 IonicContact CD2-OD2 3.51Å; H78-D356 IonicContact CE1-OD2 2.81Å; H78-D356 VanDerWaalsContact NE2-CB 3.3Å; H78-D356 WeakPolarHBondContact NE2-CB 3.37Å; H78-D356 IonicContact NE2-OD2 3.61Å; H78-D356 PolarHBondContact NE2-OD2 3.28Å; V335-D356 WeakPolarHBondContact CA-O 3.47Å; A336-D356 PolarHBondContact N-O 3.06Å; I352-D356 HydrophobicContact CG2-CB 4.2Å; R353-D356 VanDerWaalsContact O-CB 3.31Å; R353-D356 WeakPolarHBondContact O-CB 3.43Å; R353-D356 PolarHBondContact O-N 2.67Å; K354-D356 PolarHBondContact O-N 2.99Å; K354-D356 VanDerWaalsContact O-N 3.1Å
357V96.8Very high97.1Very high3 Ų336.9 Ų36.92%0.01817%0.172CC..EExtended strand (participates in β ladder)trans-94.8137.3176.3176.40000109.4Y76 I77 H78 I333 R334 V335Y76-V357 PolarHBondContact O-N 3.04Å; I77-V357 CarbonylContact C-O 3.58Å; I77-V357 WeakPolarHBondContact CA-O 3.35Å; I77-V357 HydrophobicContact CB-CB 4.46Å; I77-V357 HydrophobicContact CG1-CB 4.11Å; I77-V357 HydrophobicContact CG1-CG1 4.38Å; I77-V357 HydrophobicContact CG2-CB 4.4Å; I77-V357 HydrophobicContact CG2-CG1 4.08Å; H78-V357 PolarHBondContact CD2-O 3.02Å; H78-V357 VanDerWaalsContact CD2-O 3.3Å; H78-V357 PolarHBondContact N-O 2.87Å; I333-V357 HydrophobicContact CG1-CG1 4.33Å; I333-V357 HydrophobicContact CG2-CG1 3.75Å; R334-V357 CarbonylContact O-C 3.59Å; R334-V357 WeakPolarHBondContact O-CA 3.32Å; V335-V357 HydrophobicContact CG2-CG2 4.47Å
358I98.1Very high97.4Very high0 Ų028.6 Ų28.60%013%0.133CC..EExtended strand (participates in β ladder)trans-108.9127.5164-52.2178.9000107.7H78 V89 L96 I333 R334 F340 L342 I352H78-I358 HydrophobicContact CB-CG1 4.26Å; H78-I358 CarbonylContact O-C 3.54Å; H78-I358 WeakPolarHBondContact O-CA 3.24Å; V89-I358 HydrophobicContact CG1-CG2 4.02Å; V89-I358 HydrophobicContact CG2-CG2 3.81Å; L96-I358 HydrophobicContact CD1-CD1 4.11Å; L96-I358 HydrophobicContact CD2-CD1 3.75Å; L96-I358 HydrophobicContact CD2-CG1 4.49Å; I333-I358 WeakPolarHBondContact CA-O 3.35Å; R334-I358 PolarHBondContact N-O 3.31Å; R334-I358 PolarHBondContact O-N 2.84Å; F340-I358 HydrophobicContact CE1-CD1 4.45Å; F340-I358 HydrophobicContact CZ-CD1 3.98Å; L342-I358 HydrophobicContact CD2-CD1 4.22Å; I352-I358 HydrophobicContact CG1-CD1 4.23Å; I352-I358 HydrophobicContact CG2-CD1 4.24Å; I352-I358 HydrophobicContact CG2-CG1 4.35Å
359A96.9Very high97.5Very high2 Ų229 Ų292%0.01714%0.143CC..EExtended strand (participates in β ladder)trans-122.3136.6-178.700000111.6I77 H78 F79 L80 L331 N332 I333I77-A359 HydrophobicContact CG2-CB 3.55Å; H78-A359 PolarHBondContact O-N 3.44Å; F79-A359 WeakPolarHBondContact CA-O 3.44Å; F79-A359 HydrophobicContact CD1-CB 3.96Å; F79-A359 HydrophobicContact CE1-CB 3.9Å; L80-A359 PolarHBondContact N-O 3.25Å; L80-A359 VanDerWaalsContact N-O 3.11Å; L331-A359 HydrophobicContact CD2-CB 4.28Å; N332-A359 CarbonylContact O-C 3.52Å; N332-A359 WeakPolarHBondContact O-CA 3.48Å; I333-A359 HydrophobicContact CG1-CB 4.38Å
360L97.8Very high97.5Very high0 Ų032 Ų320%015%0.15CC..EExtended strand (participates in β ladder)trans-104.4138.4162.6-40.8177.4000108.1L80 Y86 V89 I90 N332 P362 M406L80-L360 HydrophobicContact CB-CD2 3.76Å; L80-L360 HydrophobicContact CD2-CD2 3.96Å; L80-L360 HydrophobicContact CG-CD2 4.19Å; Y86-L360 HydrophobicContact CD1-CD1 4.16Å; Y86-L360 HydrophobicContact CD1-CD2 3.81Å; Y86-L360 HydrophobicContact CD1-CG 4.46Å; Y86-L360 HydrophobicContact CD2-CD1 3.99Å; Y86-L360 HydrophobicContact CE1-CB 4.38Å; Y86-L360 HydrophobicContact CE1-CD2 3.93Å; Y86-L360 HydrophobicContact CE2-CB 4.36Å; Y86-L360 HydrophobicContact CE2-CD1 4.41Å; Y86-L360 HydrophobicContact CG-CD1 3.84Å; Y86-L360 HydrophobicContact CG-CD2 4.35Å; V89-L360 HydrophobicContact CB-CD2 4.38Å; V89-L360 HydrophobicContact CG1-CD2 4.47Å; V89-L360 HydrophobicContact CG2-CD2 4.36Å; I90-L360 HydrophobicContact CD1-CD1 3.87Å; I90-L360 HydrophobicContact CG1-CD1 3.79Å; N332-L360 HydrophobicContact CB-CB 4.07Å; N332-L360 HydrophobicContact CB-CD1 4.45Å; N332-L360 HydrophobicContact CB-CG 4.38Å; N332-L360 PolarHBondContact N-O 3.31Å; N332-L360 PolarHBondContact O-N 3.17Å; L360-P362 WeakPolarHBondContact O-CD 3.43Å; L360-M406 HydrophobicContact CD1-CE 4.39Å
361Y97.2Very high97.5Very high6 Ų631 Ų312%0.02415%0.147CC..  trans-118.689.7174.7-168.3-115.6000109.3P53 L54 L57 A329 L331 P363 M364P53-Y361 HydrophobicContact CB-CE1 4.04Å; P53-Y361 HydrophobicContact CB-CE2 4.41Å; L54-Y361 HydrophobicContact CB-CE1 4.26Å; L57-Y361 VanDerWaalsContact CD1-CB 3.49Å; L57-Y361 HydrophobicContact CD1-CD1 3.38Å; L57-Y361 HydrophobicContact CD1-CE1 4.21Å; L57-Y361 HydrophobicContact CD1-CG 3.57Å; A329-Y361 HydrophobicContact CB-CE2 4.39Å; L331-Y361 HydrophobicContact CD2-CD2 3.62Å; L331-Y361 HydrophobicContact CD2-CE2 4.45Å; L331-Y361 HydrophobicContact CD2-CG 4.35Å; L331-Y361 HydrophobicContact CG-CD2 4.1Å; Y361-P363 VanDerWaalsContact C-N 3.26Å; Y361-P363 HydrophobicContact CD1-CB 3.9Å; Y361-P363 HydrophobicContact CD1-CG 3.95Å; Y361-P363 HydrophobicContact CD2-CG 4.32Å; Y361-P363 HydrophobicContact CE1-CB 3.53Å; Y361-P363 HydrophobicContact CE1-CG 3.56Å; Y361-P363 HydrophobicContact CE2-CG 3.96Å; Y361-P363 HydrophobicContact CG-CG 4.34Å; Y361-P363 WeakPolarHBondContact O-CD 3.14Å; Y361-P363 VanDerWaalsContact O-N 3.11Å; Y361-M364 HydrophobicContact CD1-CG 4.18Å; Y361-M364 VanDerWaalsContact O-CB 3.3Å; Y361-M364 WeakPolarHBondContact O-CB 3.31Å; Y361-M364 WeakPolarHBondContact O-CG 3.46Å; Y361-M364 PolarHBondContact O-N 3.41Å
362P96.6Very high97.6Very high1 Ų125.6 Ų25.61%0.00613%0.127CC..THydrogen-bonded Turntrans-53.5-24.8-176.3-28.537.6000117.2S330 L360 M364 V365 H366 M406S330-P362 VanDerWaalsContact O-CD 3.23Å; S330-P362 WeakPolarHBondContact O-CD 3.35Å; L360-P362 WeakPolarHBondContact O-CD 3.43Å; P362-M364 PolarHBondContact O-N 3.47Å; P362-V365 WeakPolarHBondContact O-CA 3.24Å; P362-V365 WeakPolarHBondContact O-CB 3.36Å; P362-V365 PolarHBondContact O-N 3.46Å; P362-H366 PolarHBondContact O-N 3.13Å; P362-M406 HydrophobicContact CB-CB 3.91Å; P362-M406 HydrophobicContact CB-SD 4.28Å; P362-M406 HydrophobicContact CG-CB 3.88Å; P362-M406 HydrophobicContact CG-CE 4.28Å; P362-M406 HydrophobicContact CG-SD 4.07Å
363P97.5Very high97.5Very high3 Ų332.1 Ų32.12%0.01916%0.157CC..Hα-helixtrans-55-25.2171.3-31.238.9000114.1L54 S328 A329 Y361 V365 H366 Y367L54-P363 HydrophobicContact CD1-CB 4.14Å; S328-P363 WeakPolarHBondContact O-CG 3.16Å; A329-P363 HydrophobicContact CB-CG 4.38Å; Y361-P363 VanDerWaalsContact C-N 3.26Å; Y361-P363 HydrophobicContact CD1-CB 3.9Å; Y361-P363 HydrophobicContact CD1-CG 3.95Å; Y361-P363 HydrophobicContact CD2-CG 4.32Å; Y361-P363 HydrophobicContact CE1-CB 3.53Å; Y361-P363 HydrophobicContact CE1-CG 3.56Å; Y361-P363 HydrophobicContact CE2-CG 3.96Å; Y361-P363 HydrophobicContact CG-CG 4.34Å; Y361-P363 WeakPolarHBondContact O-CD 3.14Å; Y361-P363 VanDerWaalsContact O-N 3.11Å; P363-V365 PolarHBondContact O-N 2.77Å; P363-H366 PolarHBondContact O-N 3.15Å; P363-Y367 HydrophobicContact CB-CD2 4.2Å; P363-Y367 WeakPolarHBondContact O-CB 3.42Å; P363-Y367 PolarHBondContact O-N 2.8Å
364M97.6Very high97.5Very high10 Ų1033.4 Ų33.45%0.04917%0.168CC..Hα-helixtrans-59-33.9171-66.8-64.7-70.800112.6L54 L57 R58 Q61 C81 Y361 P362L54-M364 HydrophobicContact CD1-CG 4.46Å; L54-M364 HydrophobicContact CD1-SD 3.72Å; L57-M364 HydrophobicContact CB-CE 4.38Å; L57-M364 HydrophobicContact CB-SD 3.76Å; R58-M364 HydrophobicContact CB-CE 4.49Å; R58-M364 HydrophobicContact CG-CE 3.72Å; R58-M364 HydrophobicContact CG-SD 3.72Å; Q61-M364 HydrophobicContact CB-CE 4.4Å; C81-M364 HydrophobicContact CB-CE 4.25Å; Y361-M364 HydrophobicContact CD1-CG 4.18Å; Y361-M364 VanDerWaalsContact O-CB 3.3Å; Y361-M364 WeakPolarHBondContact O-CB 3.31Å; Y361-M364 WeakPolarHBondContact O-CG 3.46Å; Y361-M364 PolarHBondContact O-N 3.41Å; P362-M364 PolarHBondContact O-N 3.47Å
365V97.8Very high97.5Very high2 Ų228.5 Ų28.51%0.01215%0.148CC..Hα-helixtrans-87.6-46.6176.6179.70000110.6P83 Y86 P362 P363 Y367 D368 I371 Y372P83-V365 HydrophobicContact CB-CG2 3.85Å; Y86-V365 HydrophobicContact CE2-CG2 3.85Å; P362-V365 WeakPolarHBondContact O-CA 3.24Å; P362-V365 WeakPolarHBondContact O-CB 3.36Å; P362-V365 PolarHBondContact O-N 3.46Å; P363-V365 PolarHBondContact O-N 2.77Å; V365-Y367 PolarHBondContact O-N 3.3Å; V365-D368 WeakPolarHBondContact O-CB 3.11Å; V365-D368 PolarHBondContact O-N 2.83Å; V365-D368 VanDerWaalsContact O-N 3.14Å; V365-I371 HydrophobicContact CB-CD1 4.42Å; V365-I371 HydrophobicContact CG1-CD1 3.65Å; V365-Y372 WeakPolarHBondContact O-CD2 3.39Å
366H98.6Very high97.6Very high0 Ų030.9 Ų30.90%015%0.152CC..Hα-helixtrans-62.3-33.4-175.4-63.9163.3000112.2R325 P362 P363 Y372 F404 M406R325-H366 HydrophobicContact CG-CB 3.7Å; R325-H366 PolarHBondContact NH1-O 2.85Å; P362-H366 PolarHBondContact O-N 3.13Å; P363-H366 PolarHBondContact O-N 3.15Å; H366-Y372 VanDerWaalsContact O-CD2 3.26Å; H366-Y372 WeakPolarHBondContact O-CD2 3.5Å; H366-F404 PolarHBondContact CD2-O 3.36Å; H366-M406 PolarHBondContact NE2-N 2.72Å; H366-M406 VanDerWaalsContact NE2-N 3.16Å
367Y98.1Very high97.7Very high24 Ų2436.2 Ų36.29%0.09418%0.176CC..THydrogen-bonded Turntrans-100.813.3178-73.3-80.7000114.3L54 R58 L326 P363 V365 P369 P375 Y376L54-Y367 HydrophobicContact CD2-CD2 3.94Å; L54-Y367 HydrophobicContact CD2-CG 4.06Å; R58-Y367 VanDerWaalsContact NH2-C 3.32Å; R58-Y367 PolarHBondContact NH2-O 2.94Å; L326-Y367 WeakPolarHBondContact CA-OH 3.34Å; L326-Y367 HydrophobicContact CD2-CE1 3.65Å; L326-Y367 PolarHBondContact O-OH 3Å; P363-Y367 HydrophobicContact CB-CD2 4.2Å; P363-Y367 WeakPolarHBondContact O-CB 3.42Å; P363-Y367 PolarHBondContact O-N 2.8Å; V365-Y367 PolarHBondContact O-N 3.3Å; Y367-P369 WeakPolarHBondContact O-CD 3.48Å; Y367-P375 WeakPolarHBondContact CD1-O 3.48Å; Y367-P375 WeakPolarHBondContact O-CB 3.32Å; Y367-P375 WeakPolarHBondContact O-CG 3.05Å; Y367-Y376 AromaticContact CD1-CD1 3.48Å; Y367-Y376 HydrophobicContact CD1-CD1 3.48Å; Y367-Y376 VanDerWaalsContact CD1-CD1 3.48Å; Y367-Y376 AromaticContact CD1-CE1 3.4Å; Y367-Y376 HydrophobicContact CD1-CE1 3.4Å; Y367-Y376 VanDerWaalsContact CD1-CE1 3.4Å; Y367-Y376 HydrophobicContact CD1-CG 4.14Å; Y367-Y376 AromaticContact CE1-CD1 3.48Å; Y367-Y376 HydrophobicContact CE1-CD1 3.48Å; Y367-Y376 VanDerWaalsContact CE1-CD1 3.48Å; Y367-Y376 AromaticContact CE1-CE1 3.74Å; Y367-Y376 HydrophobicContact CE1-CE1 3.74Å; Y367-Y376 HydrophobicContact CE1-CG 4.32Å; Y367-Y376 HydrophobicContact CG-CE1 4.18Å
368D98Very high97.8Very high13 Ų1337.8 Ų37.87%0.0718%0.182CC..  trans-77.5116.1-179.1-164.8-26.8000110.9V365 E370 I371 Y372 R396V365-D368 WeakPolarHBondContact O-CB 3.11Å; V365-D368 PolarHBondContact O-N 2.83Å; V365-D368 VanDerWaalsContact O-N 3.14Å; D368-E370 PolarHBondContact O-N 2.82Å; D368-E370 WeakPolarHBondContact OD1-CB 3.49Å; D368-E370 PolarHBondContact OD1-N 3.49Å; D368-I371 HydrophobicContact CB-CB 4.18Å; D368-I371 HydrophobicContact CB-CD1 3.69Å; D368-I371 HydrophobicContact CB-CG1 3.83Å; D368-I371 PolarHBondContact O-N 2.81Å; D368-Y372 PolarHBondContact O-N 3.35Å; D368-R396 IonicContact OD2-CZ 3.36Å; D368-R396 IonicContact OD2-NE 3.8Å; D368-R396 PolarHBondContact OD2-NE 2.75Å; D368-R396 IonicContact OD2-NH1 3.67Å; D368-R396 PolarHBondContact OD2-NH1 2.87Å; D368-R396 IonicContact OD2-NH2 3.48Å
369P97.4Very high97.8Very high87 Ų8740.1 Ų40.157%0.56519%0.193SC*.THydrogen-bonded Turntrans-66.7-18179.128.5-35.1000113.7Y367 I371 Y372 P375Y367-P369 WeakPolarHBondContact O-CD 3.48Å; P369-I371 PolarHBondContact O-N 3.06Å; P369-Y372 WeakPolarHBondContact CA-O 3.29Å; P369-P375 HydrophobicContact CB-CG 3.99Å
370E96.8Very high97.9Very high101 Ų10141.7 Ų41.747%0.47220%0.199SC..THydrogen-bonded Turntrans-74.3-17.9172.9-66.5175.6-171.100112.4D368 R396 N397D368-E370 PolarHBondContact O-N 2.82Å; D368-E370 WeakPolarHBondContact OD1-CB 3.49Å; D368-E370 PolarHBondContact OD1-N 3.49Å; E370-R396 HydrophobicContact CB-CG 4Å; E370-R396 VanDerWaalsContact OE2-CG 3.3Å; E370-R396 WeakPolarHBondContact OE2-CG 3.21Å; E370-R396 IonicContact OE2-CZ 2.77Å; E370-R396 IonicContact OE2-NE 2.62Å; E370-R396 PolarHBondContact OE2-NE 3.39Å; E370-R396 IonicContact OE2-NH2 3.79Å; E370-N397 PolarHBondContact OE2-ND2 3.14Å; E370-N397 PolarHBondContact OE2-OD1 3Å
371I98.1Very high97.9Very high17 Ų1745.6 Ų45.69%0.08722%0.22CC..THydrogen-bonded Turntrans-104.9-44.1-177.8-55.1176.7000110.6V365 D368 P369 F394 R396 L401V365-I371 HydrophobicContact CB-CD1 4.42Å; V365-I371 HydrophobicContact CG1-CD1 3.65Å; D368-I371 HydrophobicContact CB-CB 4.18Å; D368-I371 HydrophobicContact CB-CD1 3.69Å; D368-I371 HydrophobicContact CB-CG1 3.83Å; D368-I371 PolarHBondContact O-N 2.81Å; P369-I371 PolarHBondContact O-N 3.06Å; I371-F394 HydrophobicContact CG2-CB 4.21Å; I371-R396 HydrophobicContact CD1-CB 4.48Å; I371-R396 HydrophobicContact CG1-CB 3.98Å; I371-R396 HydrophobicContact CG1-CG 4.13Å; I371-L401 HydrophobicContact CB-CD1 4.37Å; I371-L401 HydrophobicContact CD1-CD1 3.45Å; I371-L401 VanDerWaalsContact CD1-CD1 3.45Å; I371-L401 HydrophobicContact CG1-CD1 3.73Å; I371-L401 HydrophobicContact CG2-CD1 3.72Å
372Y98.4Very high98Very high2 Ų246.3 Ų46.31%0.00822%0.222CC..SBendtrans-126.1107.8-174.2-63.1-69000109.6V365 H366 D368 P369 D374 P375 R382 F383 F394 F404V365-Y372 WeakPolarHBondContact O-CD2 3.39Å; H366-Y372 VanDerWaalsContact O-CD2 3.26Å; H366-Y372 WeakPolarHBondContact O-CD2 3.5Å; D368-Y372 PolarHBondContact O-N 3.35Å; P369-Y372 WeakPolarHBondContact CA-O 3.29Å; Y372-D374 PolarHBondContact O-N 2.96Å; Y372-P375 WeakPolarHBondContact O-CB 3.5Å; Y372-P375 VanDerWaalsContact O-CD 3.26Å; Y372-P375 WeakPolarHBondContact O-CD 3.38Å; Y372-R382 HydrophobicContact CD1-CG 4.22Å; Y372-F383 HydrophobicContact CE1-CE1 4.41Å; Y372-F383 HydrophobicContact CE1-CZ 4.14Å; Y372-F394 HydrophobicContact CD1-CD1 4.06Å; Y372-F394 AromaticContact CD1-CE1 3.89Å; Y372-F394 HydrophobicContact CD1-CE1 3.89Å; Y372-F394 AromaticContact CE1-CD1 3.54Å; Y372-F394 HydrophobicContact CE1-CD1 3.54Å; Y372-F394 AromaticContact CE1-CE1 3.33Å; Y372-F394 HydrophobicContact CE1-CE1 3.33Å; Y372-F394 HydrophobicContact CE1-CG 4.37Å; Y372-F394 HydrophobicContact CE1-CZ 4.01Å; Y372-F404 PolarHBondContact OH-O 3.48Å
373E97.4Very high98.1Very high139 Ų13946.4 Ų46.465%0.6522%0.223SC*.SBendtrans-59.3133.3174.1-177.6-162.2-147.300110.9K379 R382E373-K379 PolarHBondContact O-NZ 3.45Å; E373-K379 IonicContact OE2-NZ 3.94Å; E373-K379 PolarHBondContact OE2-NZ 3.5Å; E373-R382 PolarHBondContact O-NH1 2.91Å; E373-R382 PolarHBondContact O-NH2 3.04Å
374D98.3Very high98.1Very high85 Ų8547.3 Ų47.346%0.45523%0.227SC..SBendtrans47.966-170.2-49.7-49.9000110.8Y372 Y376 E377 K379 R382Y372-D374 PolarHBondContact O-N 2.96Å; D374-Y376 PolarHBondContact O-N 3.22Å; D374-E377 HydrophobicContact CB-CB 3.95Å; D374-E377 HydrophobicContact CB-CG 3.85Å; D374-E377 PolarHBondContact O-N 2.89Å; D374-K379 WeakPolarHBondContact OD2-CE 3.49Å; D374-K379 IonicContact OD2-NZ 2.98Å; D374-K379 PolarHBondContact OD2-NZ 2.96Å; D374-R382 PolarHBondContact O-NH2 2.71Å
375P98.3Very high98.1Very high11 Ų1150 Ų507%0.07124%0.242CC..THydrogen-bonded Turntrans-67.3-14.5-167.125.7-33.9000113.3R325 L326 Y367 P369 Y372R325-P375 VanDerWaalsContact CZ-O 3.3Å; R325-P375 PolarHBondContact NH1-O 2.93Å; R325-P375 PolarHBondContact NH2-O 3.47Å; L326-P375 WeakPolarHBondContact CD2-O 3.31Å; Y367-P375 WeakPolarHBondContact CD1-O 3.48Å; Y367-P375 WeakPolarHBondContact O-CB 3.32Å; Y367-P375 WeakPolarHBondContact O-CG 3.05Å; P369-P375 HydrophobicContact CB-CG 3.99Å; Y372-P375 WeakPolarHBondContact O-CB 3.5Å; Y372-P375 VanDerWaalsContact O-CD 3.26Å; Y372-P375 WeakPolarHBondContact O-CD 3.38Å
376Y97.8Very high98Very high131 Ų13159.8 Ų59.851%0.51429%0.287SS..THydrogen-bonded Turntrans-92.6-15177.1-63.8-81.7000113R58 Y367 D374R58-Y376 PolarHBondContact NH1-OH 3.18Å; Y367-Y376 AromaticContact CD1-CD1 3.48Å; Y367-Y376 HydrophobicContact CD1-CD1 3.48Å; Y367-Y376 VanDerWaalsContact CD1-CD1 3.48Å; Y367-Y376 AromaticContact CD1-CE1 3.4Å; Y367-Y376 HydrophobicContact CD1-CE1 3.4Å; Y367-Y376 VanDerWaalsContact CD1-CE1 3.4Å; Y367-Y376 HydrophobicContact CD1-CG 4.14Å; Y367-Y376 AromaticContact CE1-CD1 3.48Å; Y367-Y376 HydrophobicContact CE1-CD1 3.48Å; Y367-Y376 VanDerWaalsContact CE1-CD1 3.48Å; Y367-Y376 AromaticContact CE1-CE1 3.74Å; Y367-Y376 HydrophobicContact CE1-CE1 3.74Å; Y367-Y376 HydrophobicContact CE1-CG 4.32Å; Y367-Y376 HydrophobicContact CG-CE1 4.18Å; D374-Y376 PolarHBondContact O-N 3.22Å
377E98Very high97.8Very high123 Ų12368.2 Ų68.258%0.57532%0.324SS*.SBendtrans-87.2141.5-179.1-63.7-56.9145.300111E322 R325 D374 K379 R382E322-E377 VanDerWaalsContact OE1-O 3.09Å; R325-E377 PolarHBondContact NH2-O 3.37Å; D374-E377 HydrophobicContact CB-CB 3.95Å; D374-E377 HydrophobicContact CB-CG 3.85Å; D374-E377 PolarHBondContact O-N 2.89Å; E377-K379 PolarHBondContact O-N 3.18Å; E377-R382 PolarHBondContact O-NH2 3.4Å
378Y98.6Very high97.6Very high36 Ų3668.4 Ų68.414%0.14133%0.333CS..  trans-78.9114.9172.9178.2-93.7000110Y269 A276 I319 E322 A323 L326 F380Y269-Y378 VanDerWaalsContact CB-CE2 3.41Å; Y269-Y378 HydrophobicContact CD1-CD1 4.08Å; Y269-Y378 AromaticContact CD1-CD2 3.61Å; Y269-Y378 HydrophobicContact CD1-CD2 3.61Å; Y269-Y378 HydrophobicContact CD1-CE2 4.31Å; Y269-Y378 AromaticContact CD1-CG 3.49Å; Y269-Y378 HydrophobicContact CD1-CG 3.49Å; Y269-Y378 VanDerWaalsContact CD1-CG 3.49Å; Y269-Y378 AromaticContact CD2-CD2 3.71Å; Y269-Y378 HydrophobicContact CD2-CD2 3.71Å; Y269-Y378 AromaticContact CD2-CE2 3.97Å; Y269-Y378 HydrophobicContact CD2-CE2 3.97Å; Y269-Y378 HydrophobicContact CD2-CG 4.45Å; Y269-Y378 HydrophobicContact CE1-CD2 4.14Å; Y269-Y378 HydrophobicContact CE1-CG 4.05Å; Y269-Y378 HydrophobicContact CE2-CD2 4.24Å; Y269-Y378 HydrophobicContact CG-CD1 4.29Å; Y269-Y378 AromaticContact CG-CD2 3.38Å; Y269-Y378 HydrophobicContact CG-CD2 3.38Å; Y269-Y378 HydrophobicContact CG-CE1 4.5Å; Y269-Y378 AromaticContact CG-CE2 3.67Å; Y269-Y378 HydrophobicContact CG-CE2 3.67Å; Y269-Y378 AromaticContact CG-CG 3.74Å; Y269-Y378 HydrophobicContact CG-CG 3.74Å; A276-Y378 HydrophobicContact CB-CE1 4.42Å; I319-Y378 WeakPolarHBondContact CA-OH 3.26Å; I319-Y378 WeakPolarHBondContact CG2-OH 3.12Å; I319-Y378 PolarHBondContact O-OH 3.3Å; E322-Y378 HydrophobicContact CB-CD2 4.15Å; E322-Y378 HydrophobicContact CB-CE2 3.74Å; E322-Y378 HydrophobicContact CG-CD2 3.37Å; E322-Y378 HydrophobicContact CG-CE2 3.49Å; E322-Y378 VanDerWaalsContact CG-CE2 3.49Å; E322-Y378 HydrophobicContact CG-CG 4.11Å; A323-Y378 HydrophobicContact CB-CE2 4.46Å; L326-Y378 HydrophobicContact CD1-CD2 4.05Å; Y378-F380 HydrophobicContact CE1-CB 3.67Å
379K98.7Very high97.5Very high50 Ų5072.6 Ų72.622%0.21735%0.352CS..  trans-118.5103.5173.4-64.3-177.7-178.2172.30109E322 E373 D374 E377 D381 R382E322-K379 WeakPolarHBondContact CG-O 3.3Å; E322-K379 PolarHBondContact OE1-N 3.49Å; E322-K379 VanDerWaalsContact OE1-N 3.16Å; E373-K379 PolarHBondContact O-NZ 3.45Å; E373-K379 IonicContact OE2-NZ 3.94Å; E373-K379 PolarHBondContact OE2-NZ 3.5Å; D374-K379 WeakPolarHBondContact OD2-CE 3.49Å; D374-K379 IonicContact OD2-NZ 2.98Å; D374-K379 PolarHBondContact OD2-NZ 2.96Å; E377-K379 PolarHBondContact O-N 3.18Å; K379-D381 PolarHBondContact O-N 3.36Å; K379-D381 VanDerWaalsContact O-N 3.11Å; K379-R382 HydrophobicContact CB-CB 4.14Å; K379-R382 VanDerWaalsContact O-CB 3.23Å; K379-R382 WeakPolarHBondContact O-CB 3.4Å; K379-R382 PolarHBondContact O-N 3.01Å
380F98.6Very high97.5Very high35 Ų3573.1 Ų73.115%0.15435%0.347CS..THydrogen-bonded Turntrans-61.4-24.4-17183.3-87000113.5D275 A276 A279 I315 S318 I319 Y378D275-F380 HydrophobicContact CB-CD1 4.41Å; D275-F380 HydrophobicContact CB-CE1 3.81Å; A276-F380 HydrophobicContact CB-CB 3.59Å; A276-F380 HydrophobicContact CB-CD1 4.1Å; A276-F380 HydrophobicContact CB-CD2 4.27Å; A276-F380 HydrophobicContact CB-CG 3.73Å; A279-F380 HydrophobicContact CB-CD2 4.46Å; A279-F380 HydrophobicContact CB-CE2 3.65Å; A279-F380 HydrophobicContact CB-CZ 4.09Å; I315-F380 HydrophobicContact CG2-CD2 4.38Å; I315-F380 HydrophobicContact CG2-CE2 4.41Å; S318-F380 CarbonylContact C-O 3.55Å; S318-F380 WeakPolarHBondContact CB-O 3.41Å; S318-F380 PolarHBondContact OG-O 2.69Å; I319-F380 HydrophobicContact CG1-CB 4.02Å; I319-F380 HydrophobicContact CG1-CD2 4.4Å; Y378-F380 HydrophobicContact CE1-CB 3.67Å
381D98.5Very high97.6Very high81 Ų8171.8 Ų71.843%0.43334%0.34SS..THydrogen-bonded Turntrans-97.46.7-178.962.4-14.4000113.3K379 F383 L384K379-D381 PolarHBondContact O-N 3.36Å; K379-D381 VanDerWaalsContact O-N 3.11Å; D381-F383 PolarHBondContact O-N 2.85Å; D381-L384 HydrophobicContact CB-CB 4.44Å; D381-L384 HydrophobicContact CB-CD1 3.9Å; D381-L384 HydrophobicContact CB-CG 4.45Å; D381-L384 WeakPolarHBondContact O-CB 3.33Å; D381-L384 PolarHBondContact O-N 2.61Å
382R98.6Very high97.5Very high21 Ų2173.7 Ų73.78%0.07935%0.353CS..THydrogen-bonded Turntrans-57.4-28.8-176.9-167.4-179.7-63.1-89.612.4113.6E322 Y372 E373 D374 E377 K379E322-R382 IonicContact OE1-CZ 3.4Å; E322-R382 IonicContact OE1-NE 3.57Å; E322-R382 PolarHBondContact OE1-NE 3.28Å; E322-R382 IonicContact OE1-NH2 3Å; E322-R382 PolarHBondContact OE1-NH2 3.45Å; E322-R382 WeakPolarHBondContact OE2-CD 3.45Å; E322-R382 IonicContact OE2-NE 2.8Å; E322-R382 PolarHBondContact OE2-NE 3.2Å; E322-R382 VanDerWaalsContact OE2-NE 3.12Å; Y372-R382 HydrophobicContact CD1-CG 4.22Å; E373-R382 PolarHBondContact O-NH1 2.91Å; E373-R382 PolarHBondContact O-NH2 3.04Å; D374-R382 PolarHBondContact O-NH2 2.71Å; E377-R382 PolarHBondContact O-NH2 3.4Å; K379-R382 HydrophobicContact CB-CB 4.14Å; K379-R382 VanDerWaalsContact O-CB 3.23Å; K379-R382 WeakPolarHBondContact O-CB 3.4Å; K379-R382 PolarHBondContact O-N 3.01Å
383F98.7Very high97.5Very high3 Ų376.1 Ų76.11%0.01337%0.368CS..THydrogen-bonded Turntrans-104.522178.1-63.8-87.9000112.6S318 K321 E322 R325 Y372 D381 K391 F394 F404 Y405S318-F383 PolarHBondContact OG-N 3.01Å; K321-F383 HydrophobicContact CB-CB 4.39Å; K321-F383 HydrophobicContact CB-CD1 4.37Å; K321-F383 HydrophobicContact CB-CD2 3.55Å; K321-F383 HydrophobicContact CB-CE2 3.83Å; K321-F383 HydrophobicContact CB-CG 3.85Å; K321-F383 HydrophobicContact CB-CZ 4.34Å; K321-F383 HydrophobicContact CD-CB 4.01Å; K321-F383 HydrophobicContact CD-CD1 4.17Å; K321-F383 HydrophobicContact CD-CG 4Å; E322-F383 HydrophobicContact CB-CD2 4.43Å; E322-F383 HydrophobicContact CB-CE2 4.39Å; R325-F383 HydrophobicContact CB-CE2 4.4Å; R325-F383 HydrophobicContact CB-CZ 4.41Å; Y372-F383 HydrophobicContact CE1-CE1 4.41Å; Y372-F383 HydrophobicContact CE1-CZ 4.14Å; D381-F383 PolarHBondContact O-N 2.85Å; F383-K391 PolarHBondContact O-N 2.97Å; F383-F394 AromaticContact CD1-CE2 3.93Å; F383-F394 HydrophobicContact CD1-CE2 3.93Å; F383-F394 AromaticContact CD1-CZ 3.69Å; F383-F394 HydrophobicContact CD1-CZ 3.69Å; F383-F394 HydrophobicContact CE1-CE2 4Å; F383-F394 AromaticContact CE1-CZ 3.79Å; F383-F394 HydrophobicContact CE1-CZ 3.79Å; F383-F394 HydrophobicContact CG-CZ 4.49Å; F383-F404 HydrophobicContact CE1-CD2 4.36Å; F383-F404 HydrophobicContact CE1-CE2 4.39Å; F383-Y405 HydrophobicContact CE1-CD2 4.17Å; F383-Y405 HydrophobicContact CE1-CG 4.4Å; F383-Y405 AromaticContact CZ-CD2 3.95Å; F383-Y405 HydrophobicContact CZ-CD2 3.95Å
384L98.6Very high97.5Very high22 Ų2269.9 Ų69.912%0.11534%0.338CS..BIsolated β-bridgetrans-109.1145.2170.7-58.4175000111.1P314 I315 D381 Q389P314-L384 HydrophobicContact CB-CD2 4.09Å; P314-L384 WeakPolarHBondContact O-CD2 3.36Å; I315-L384 HydrophobicContact CD1-CD1 3.33Å; I315-L384 HydrophobicContact CD1-CD2 4.31Å; I315-L384 HydrophobicContact CD1-CG 4.46Å; D381-L384 HydrophobicContact CB-CB 4.44Å; D381-L384 HydrophobicContact CB-CD1 3.9Å; D381-L384 HydrophobicContact CB-CG 4.45Å; D381-L384 WeakPolarHBondContact O-CB 3.33Å; D381-L384 PolarHBondContact O-N 2.61Å; L384-Q389 CarbonylContact C-O 3.51Å; L384-Q389 VanDerWaalsContact CA-O 3.25Å; L384-Q389 WeakPolarHBondContact CA-O 3.42Å
385D97.4Very high97.5Very high66 Ų6671.5 Ų71.535%0.35334%0.339SS..  trans-89.6178.9168.474.18.7000111.3K387 G388 Q389 K391D385-K387 PolarHBondContact O-N 2.81Å; D385-K387 WeakPolarHBondContact OD1-CA 3.42Å; D385-K387 WeakPolarHBondContact OD1-CB 3.28Å; D385-K387 PolarHBondContact OD1-N 3.39Å; D385-G388 PolarHBondContact O-N 3.03Å; D385-G388 PolarHBondContact OD1-N 2.89Å; D385-G388 VanDerWaalsContact OD1-N 3.13Å; D385-Q389 PolarHBondContact N-O 3.25Å; D385-Q389 PolarHBondContact OD1-N 3.44Å; D385-K391 HydrophobicContact CB-CB 4.45Å
386E95.2Very high97.4Very high208 Ų20872.6 Ų72.697%0.97234%0.342SS*.THydrogen-bonded Turntrans-60.5-17.8-179.9-63.2175.8-178.800113.7
387K95.2Very high97.2Very high178 Ų17872.2 Ų72.277%0.77435%0.349SS*.THydrogen-bonded Turntrans-96.54.1177.1-59.4180-178.5178.30112.3D385 Q389D385-K387 PolarHBondContact O-N 2.81Å; D385-K387 WeakPolarHBondContact OD1-CA 3.42Å; D385-K387 WeakPolarHBondContact OD1-CB 3.28Å; D385-K387 PolarHBondContact OD1-N 3.39Å; K387-Q389 VanDerWaalsContact C-N 3.26Å; K387-Q389 HydrophobicContact CB-CG 4.28Å; K387-Q389 PolarHBondContact O-N 3.34Å
388G94.2Very high97Very high27 Ų2770 Ų7028%0.27836%0.358SS..SBendtrans69.622.1-175.600000113.6D385D385-G388 PolarHBondContact O-N 3.03Å; D385-G388 PolarHBondContact OD1-N 2.89Å; D385-G388 VanDerWaalsContact OD1-N 3.13Å
389Q95.5Very high96.9Very high101 Ų10173.6 Ų73.647%0.47237%0.372SS..SBendtrans-99.3169.8174.1-59-57.8-64.400110.7L384 D385 K387 K391L384-Q389 CarbonylContact C-O 3.51Å; L384-Q389 VanDerWaalsContact CA-O 3.25Å; L384-Q389 WeakPolarHBondContact CA-O 3.42Å; D385-Q389 PolarHBondContact N-O 3.25Å; D385-Q389 PolarHBondContact OD1-N 3.44Å; K387-Q389 VanDerWaalsContact C-N 3.26Å; K387-Q389 HydrophobicContact CB-CG 4.28Å; K387-Q389 PolarHBondContact O-N 3.34Å; Q389-K391 PolarHBondContact O-N 2.88Å; Q389-K391 VanDerWaalsContact O-N 3.14Å
390E97Very high96.9Very high99 Ų9978 Ų7846%0.46339%0.387SS..BIsolated β-bridgetrans-60118.5-179.5-173.6-174.2-155.900112.4K321 T392K321-E390 VanDerWaalsContact CE-OE1 3.28Å; K321-E390 WeakPolarHBondContact CE-OE1 3.32Å; K321-E390 IonicContact NZ-OE1 2.71Å; K321-E390 PolarHBondContact NZ-OE1 3.49Å; E390-T392 HydrophobicContact CG-CG2 3.83Å; E390-T392 PolarHBondContact O-N 3.24Å
391K98Very high96.8Very high72 Ų7276.5 Ų76.531%0.31338%0.38SS..PPolyproline II helixtrans-79117.6168.8178.8178.7176.1179.30110.5F383 D385 Q389 T393 F394F383-K391 PolarHBondContact O-N 2.97Å; D385-K391 HydrophobicContact CB-CB 4.45Å; Q389-K391 PolarHBondContact O-N 2.88Å; Q389-K391 VanDerWaalsContact O-N 3.14Å; K391-T393 VanDerWaalsContact CE-O 3.32Å; K391-T393 WeakPolarHBondContact CE-O 3.29Å; K391-F394 HydrophobicContact CD-CE1 4.37Å; K391-F394 HydrophobicContact CD-CZ 4.06Å; K391-F394 HydrophobicContact CG-CE2 4.2Å; K391-F394 HydrophobicContact CG-CZ 4.13Å
392T96.8Very high96.6Very high58 Ų5878.7 Ų78.736%0.35638%0.383SS..  trans-116.610.2-179.762.30000113.4E390 F404E390-T392 HydrophobicContact CG-CG2 3.83Å; E390-T392 PolarHBondContact O-N 3.24Å; T392-F404 VanDerWaalsContact O-CE1 3.28Å; T392-F404 WeakPolarHBondContact O-CE1 3.37Å
393T97.4Very high96.6Very high53 Ų5378.8 Ų78.833%0.32538%0.383SS..  trans-115.8113.1-17746.70000110.4K391K391-T393 VanDerWaalsContact CE-O 3.32Å; K391-T393 WeakPolarHBondContact CE-O 3.29Å
394F98.3Very high96.5Very high7 Ų780.3 Ų80.33%0.03139%0.39CS..  trans-132148.7174.9-66.3-90.7000108.6I371 Y372 F383 K391 L401 F404I371-F394 HydrophobicContact CG2-CB 4.21Å; Y372-F394 HydrophobicContact CD1-CD1 4.06Å; Y372-F394 AromaticContact CD1-CE1 3.89Å; Y372-F394 HydrophobicContact CD1-CE1 3.89Å; Y372-F394 AromaticContact CE1-CD1 3.54Å; Y372-F394 HydrophobicContact CE1-CD1 3.54Å; Y372-F394 AromaticContact CE1-CE1 3.33Å; Y372-F394 HydrophobicContact CE1-CE1 3.33Å; Y372-F394 HydrophobicContact CE1-CG 4.37Å; Y372-F394 HydrophobicContact CE1-CZ 4.01Å; F383-F394 AromaticContact CD1-CE2 3.93Å; F383-F394 HydrophobicContact CD1-CE2 3.93Å; F383-F394 AromaticContact CD1-CZ 3.69Å; F383-F394 HydrophobicContact CD1-CZ 3.69Å; F383-F394 HydrophobicContact CE1-CE2 4Å; F383-F394 AromaticContact CE1-CZ 3.79Å; F383-F394 HydrophobicContact CE1-CZ 3.79Å; F383-F394 HydrophobicContact CG-CZ 4.49Å; K391-F394 HydrophobicContact CD-CE1 4.37Å; K391-F394 HydrophobicContact CD-CZ 4.06Å; K391-F394 HydrophobicContact CG-CE2 4.2Å; K391-F394 HydrophobicContact CG-CZ 4.13Å; F394-L401 PolarHBondContact O-N 3.49Å; F394-F404 HydrophobicContact CB-CB 3.79Å; F394-F404 HydrophobicContact CB-CG 4.1Å; F394-F404 HydrophobicContact CD2-CB 3.98Å; F394-F404 AromaticContact CD2-CD1 3.97Å; F394-F404 HydrophobicContact CD2-CD1 3.97Å; F394-F404 AromaticContact CD2-CD2 3.25Å; F394-F404 HydrophobicContact CD2-CD2 3.25Å; F394-F404 HydrophobicContact CD2-CE1 4.27Å; F394-F404 AromaticContact CD2-CE2 3.62Å; F394-F404 HydrophobicContact CD2-CE2 3.62Å; F394-F404 AromaticContact CD2-CG 3.46Å; F394-F404 HydrophobicContact CD2-CG 3.46Å; F394-F404 VanDerWaalsContact CD2-CG 3.46Å; F394-F404 HydrophobicContact CD2-CZ 4.12Å; F394-F404 AromaticContact CE2-CD2 3.54Å; F394-F404 HydrophobicContact CE2-CD2 3.54Å; F394-F404 AromaticContact CE2-CE2 3.6Å; F394-F404 HydrophobicContact CE2-CE2 3.6Å; F394-F404 HydrophobicContact CE2-CG 4.23Å; F394-F404 HydrophobicContact CE2-CZ 4.31Å; F394-F404 HydrophobicContact CG-CB 4.04Å; F394-F404 HydrophobicContact CG-CD2 4.11Å; F394-F404 HydrophobicContact CG-CG 4.04Å
395Y98.1Very high96.5Very high119 Ų11981.3 Ų81.347%0.46739%0.392SS..EExtended strand (participates in β ladder)trans-129.2155.2-172.4-63-98.9000109.8R399 R400Y395-R399 WeakPolarHBondContact CA-O 3.39Å; Y395-R400 HydrophobicContact CD1-CB 4.09Å; Y395-R400 HydrophobicContact CE1-CB 3.8Å; Y395-R400 HydrophobicContact CE1-CG 4.43Å
396R96.6Very high96.5Very high35 Ų3578.3 Ų78.313%0.13238%0.376CS..EExtended strand (participates in β ladder)trans-140.1131.4164.3-170.7179.5173.9-179.83.4107.3P83 F84 D368 E370 I371 G398 R399 L401P83-R396 VanDerWaalsContact CD-NH1 3.31Å; F84-R396 HydrophobicContact CE2-CB 4.09Å; F84-R396 HydrophobicContact CZ-CB 3.95Å; F84-R396 WeakPolarHBondContact CZ-O 3.45Å; D368-R396 IonicContact OD2-CZ 3.36Å; D368-R396 IonicContact OD2-NE 3.8Å; D368-R396 PolarHBondContact OD2-NE 2.75Å; D368-R396 IonicContact OD2-NH1 3.67Å; D368-R396 PolarHBondContact OD2-NH1 2.87Å; D368-R396 IonicContact OD2-NH2 3.48Å; E370-R396 HydrophobicContact CB-CG 4Å; E370-R396 VanDerWaalsContact OE2-CG 3.3Å; E370-R396 WeakPolarHBondContact OE2-CG 3.21Å; E370-R396 IonicContact OE2-CZ 2.77Å; E370-R396 IonicContact OE2-NE 2.62Å; E370-R396 PolarHBondContact OE2-NE 3.39Å; E370-R396 IonicContact OE2-NH2 3.79Å; I371-R396 HydrophobicContact CD1-CB 4.48Å; I371-R396 HydrophobicContact CG1-CB 3.98Å; I371-R396 HydrophobicContact CG1-CG 4.13Å; R396-G398 PolarHBondContact O-N 2.91Å; R396-R399 PolarHBondContact N-O 2.67Å; R396-R399 PolarHBondContact O-N 3.48Å; R396-L401 HydrophobicContact CB-CD1 4.16Å; R396-L401 HydrophobicContact CB-CD2 4.31Å; R396-L401 HydrophobicContact CB-CG 4.27Å
397N93Very high96.6Very high123 Ų12369 Ų6966%0.65833%0.333SS*.THydrogen-bonded Turntrans5044.2-177.8-61.5-32000113.3E370 R399E370-N397 PolarHBondContact OE2-ND2 3.14Å; E370-N397 PolarHBondContact OE2-OD1 3Å; N397-R399 PolarHBondContact O-N 3.16Å; N397-R399 VanDerWaalsContact O-N 3.08Å
398G94.6Very high96.7Very high75 Ų7562.5 Ų62.577%0.77331%0.305SS*.THydrogen-bonded Turntrans71.9-4.1179.700000115.7R396R396-G398 PolarHBondContact O-N 2.91Å
399R96.9Very high96.8Very high113 Ų11361.8 Ų61.843%0.42630%0.298SS..EExtended strand (participates in β ladder)trans-105.3134.7-179-173.9179.7166.2-162.30.3111.5F84 D345 Y395 R396 N397 L401F84-R399 HydrophobicContact CD1-CG 4.24Å; F84-R399 HydrophobicContact CE1-CB 3.77Å; F84-R399 HydrophobicContact CE1-CG 3.55Å; F84-R399 HydrophobicContact CZ-CB 3.7Å; F84-R399 HydrophobicContact CZ-CG 4.03Å; D345-R399 VanDerWaalsContact CG-NH2 3.3Å; D345-R399 IonicContact OD1-CZ 2.92Å; D345-R399 IonicContact OD1-NH1 2.92Å; D345-R399 IonicContact OD1-NH2 2.64Å; D345-R399 PolarHBondContact OD1-NH2 3.18Å; D345-R399 IonicContact OD2-CZ 3.29Å; D345-R399 VanDerWaalsContact OD2-CZ 3.3Å; D345-R399 IonicContact OD2-NH1 2.73Å; D345-R399 PolarHBondContact OD2-NH1 2.88Å; D345-R399 IonicContact OD2-NH2 3.41Å; D345-R399 PolarHBondContact OD2-NH2 3.13Å; D345-R399 VanDerWaalsContact OD2-NH2 3.11Å; Y395-R399 WeakPolarHBondContact CA-O 3.39Å; R396-R399 PolarHBondContact N-O 2.67Å; R396-R399 PolarHBondContact O-N 3.48Å; N397-R399 PolarHBondContact O-N 3.16Å; N397-R399 VanDerWaalsContact O-N 3.08Å; R399-L401 PolarHBondContact O-N 3.18Å
400R97.4Very high96.6Very high143 Ų14357.3 Ų57.354%0.5428%0.278SS..EExtended strand (participates in β ladder)trans-64.1130.1179.4-175.1179.2178.5176.84.8110.9Y395Y395-R400 HydrophobicContact CD1-CB 4.09Å; Y395-R400 HydrophobicContact CE1-CB 3.8Å; Y395-R400 HydrophobicContact CE1-CG 4.43Å
401L97Very high96.3Very high3 Ų354.7 Ų54.72%0.01628%0.278CS..  trans-82.8137.4174.2-72170.1000111.3P83 F84 I371 F394 R396 R399 F404P83-L401 HydrophobicContact CB-CD2 3.88Å; P83-L401 HydrophobicContact CG-CD2 3.97Å; F84-L401 HydrophobicContact CD1-CD2 4.18Å; F84-L401 HydrophobicContact CE1-CD2 3.68Å; F84-L401 HydrophobicContact CE1-CG 4.4Å; F84-L401 HydrophobicContact CE2-CD2 4.38Å; F84-L401 HydrophobicContact CZ-CD2 3.79Å; F84-L401 HydrophobicContact CZ-CG 4.46Å; I371-L401 HydrophobicContact CB-CD1 4.37Å; I371-L401 HydrophobicContact CD1-CD1 3.45Å; I371-L401 VanDerWaalsContact CD1-CD1 3.45Å; I371-L401 HydrophobicContact CG1-CD1 3.73Å; I371-L401 HydrophobicContact CG2-CD1 3.72Å; F394-L401 PolarHBondContact O-N 3.49Å; R396-L401 HydrophobicContact CB-CD1 4.16Å; R396-L401 HydrophobicContact CB-CD2 4.31Å; R396-L401 HydrophobicContact CB-CG 4.27Å; R399-L401 PolarHBondContact O-N 3.18Å; L401-F404 HydrophobicContact CB-CB 4.27Å; L401-F404 HydrophobicContact CD1-CB 4.48Å
402R95.3Very high95.9Very high127 Ų12754.5 Ų54.548%0.47928%0.282SS..SBendtrans-87.6-32.2172.7-175.7165.9175.2-126.1-17.7113R91R91-R402 VanDerWaalsContact NE-NH2 3.12Å
403Y97Very high95.6Very high22 Ų2253 Ų539%0.08627%0.273CS..  trans-124.281.7-178-55.6-75.7000108.8H87 I90H87-Y403 HydrophobicContact CB-CE2 3.88Å; I90-Y403 HydrophobicContact CD1-CD1 3.94Å; I90-Y403 HydrophobicContact CD1-CD2 4Å; I90-Y403 HydrophobicContact CD1-CE1 3.75Å; I90-Y403 HydrophobicContact CD1-CE2 3.81Å; I90-Y403 HydrophobicContact CD1-CG 4.06Å; I90-Y403 HydrophobicContact CG2-CE1 4.24Å
404F97.4Very high95.4Very high35 Ų3554.9 Ų54.915%0.15428%0.277CS..SBendtrans-95.6-33.3179.455.2-94.2000111.9H366 Y372 F383 T392 F394 L401H366-F404 PolarHBondContact CD2-O 3.36Å; Y372-F404 PolarHBondContact OH-O 3.48Å; F383-F404 HydrophobicContact CE1-CD2 4.36Å; F383-F404 HydrophobicContact CE1-CE2 4.39Å; T392-F404 VanDerWaalsContact O-CE1 3.28Å; T392-F404 WeakPolarHBondContact O-CE1 3.37Å; F394-F404 HydrophobicContact CB-CB 3.79Å; F394-F404 HydrophobicContact CB-CG 4.1Å; F394-F404 HydrophobicContact CD2-CB 3.98Å; F394-F404 AromaticContact CD2-CD1 3.97Å; F394-F404 HydrophobicContact CD2-CD1 3.97Å; F394-F404 AromaticContact CD2-CD2 3.25Å; F394-F404 HydrophobicContact CD2-CD2 3.25Å; F394-F404 HydrophobicContact CD2-CE1 4.27Å; F394-F404 AromaticContact CD2-CE2 3.62Å; F394-F404 HydrophobicContact CD2-CE2 3.62Å; F394-F404 AromaticContact CD2-CG 3.46Å; F394-F404 HydrophobicContact CD2-CG 3.46Å; F394-F404 VanDerWaalsContact CD2-CG 3.46Å; F394-F404 HydrophobicContact CD2-CZ 4.12Å; F394-F404 AromaticContact CE2-CD2 3.54Å; F394-F404 HydrophobicContact CE2-CD2 3.54Å; F394-F404 AromaticContact CE2-CE2 3.6Å; F394-F404 HydrophobicContact CE2-CE2 3.6Å; F394-F404 HydrophobicContact CE2-CG 4.23Å; F394-F404 HydrophobicContact CE2-CZ 4.31Å; F394-F404 HydrophobicContact CG-CB 4.04Å; F394-F404 HydrophobicContact CG-CD2 4.11Å; F394-F404 HydrophobicContact CG-CG 4.04Å; L401-F404 HydrophobicContact CB-CB 4.27Å; L401-F404 HydrophobicContact CD1-CB 4.48Å
405Y98Very high95.4Very high44 Ų4456.9 Ų56.917%0.17329%0.291CS..  trans-125122.8-178.5178-106.1000110.1K321 M324 F383 P407K321-Y405 HydrophobicContact CB-CE2 4Å; K321-Y405 HydrophobicContact CG-CE1 3.99Å; K321-Y405 HydrophobicContact CG-CE2 4.14Å; K321-Y405 WeakPolarHBondContact O-CE2 3.44Å; M324-Y405 HydrophobicContact CB-CE2 4.37Å; M324-Y405 VanDerWaalsContact CE-OH 3.23Å; M324-Y405 WeakPolarHBondContact CE-OH 3.45Å; F383-Y405 HydrophobicContact CE1-CD2 4.17Å; F383-Y405 HydrophobicContact CE1-CG 4.4Å; F383-Y405 AromaticContact CZ-CD2 3.95Å; F383-Y405 HydrophobicContact CZ-CD2 3.95Å; Y405-P407 HydrophobicContact CD1-CG 4.26Å; Y405-P407 HydrophobicContact CD2-CG 4.17Å; Y405-P407 HydrophobicContact CE1-CG 3.58Å; Y405-P407 VanDerWaalsContact CE2-CD 3.48Å; Y405-P407 HydrophobicContact CE2-CG 3.46Å; Y405-P407 VanDerWaalsContact CE2-CG 3.46Å; Y405-P407 VanDerWaalsContact CZ-CD 3.45Å; Y405-P407 WeakPolarHBondContact OH-CG 3.32Å
406M97.9Very high95.3Very high2 Ų252.4 Ų52.41%0.0128%0.277CS..  trans-144.129.4-168.9-55.7176.472.200116.2Y86 I90 L360 P362 H366 F408 G409 S410Y86-M406 HydrophobicContact CD2-CE 4.03Å; Y86-M406 HydrophobicContact CD2-SD 3.73Å; Y86-M406 HydrophobicContact CE2-CE 4.32Å; Y86-M406 HydrophobicContact CE2-SD 3.75Å; I90-M406 HydrophobicContact CD1-CE 3.9Å; L360-M406 HydrophobicContact CD1-CE 4.39Å; P362-M406 HydrophobicContact CB-CB 3.91Å; P362-M406 HydrophobicContact CB-SD 4.28Å; P362-M406 HydrophobicContact CG-CB 3.88Å; P362-M406 HydrophobicContact CG-CE 4.28Å; P362-M406 HydrophobicContact CG-SD 4.07Å; H366-M406 PolarHBondContact NE2-N 2.72Å; H366-M406 VanDerWaalsContact NE2-N 3.16Å; M406-F408 PolarHBondContact O-N 3.01Å; M406-G409 PolarHBondContact O-N 3.11Å; M406-S410 WeakPolarHBondContact CE-OG 3.37Å
407P97.8Very high95.4Very high12 Ų1251.4 Ų51.48%0.07828%0.277CS..THydrogen-bonded Turntrans-63.6-33.1178.925.5-31.8000112.7M324 S328 S330 Y405 G409 I459M324-P407 HydrophobicContact CB-CB 4.16Å; M324-P407 HydrophobicContact CB-CG 4.07Å; M324-P407 HydrophobicContact SD-CB 4.44Å; M324-P407 HydrophobicContact SD-CG 4.26Å; S328-P407 WeakPolarHBondContact OG-CA 3.28Å; S330-P407 PolarHBondContact OG-O 2.86Å; Y405-P407 HydrophobicContact CD1-CG 4.26Å; Y405-P407 HydrophobicContact CD2-CG 4.17Å; Y405-P407 HydrophobicContact CE1-CG 3.58Å; Y405-P407 VanDerWaalsContact CE2-CD 3.48Å; Y405-P407 HydrophobicContact CE2-CG 3.46Å; Y405-P407 VanDerWaalsContact CE2-CG 3.46Å; Y405-P407 VanDerWaalsContact CZ-CD 3.45Å; Y405-P407 WeakPolarHBondContact OH-CG 3.32Å; P407-G409 VanDerWaalsContact C-N 3.26Å; P407-G409 PolarHBondContact O-N 2.77Å; P407-I459 HydrophobicContact CB-CD1 4.11Å
408F97.6Very high95.6Very high42 Ų4247.6 Ų47.618%0.18425%0.253CS..THydrogen-bonded Turntrans-84.713.2175-60.9-72.2000113.9M324 M406 K414 C415 R418 A421 V422M324-F408 HydrophobicContact CE-CE2 4.17Å; M324-F408 HydrophobicContact CE-CZ 4.21Å; M324-F408 HydrophobicContact SD-CE2 3.91Å; M324-F408 HydrophobicContact SD-CZ 3.76Å; M406-F408 PolarHBondContact O-N 3.01Å; F408-K414 HydrophobicContact CB-CG 4.5Å; F408-K414 CarbonylContact O-C 3.58Å; F408-K414 VanDerWaalsContact O-CA 3.26Å; F408-K414 WeakPolarHBondContact O-CA 3.47Å; F408-K414 WeakPolarHBondContact O-CG 3.1Å; F408-C415 HydrophobicContact CB-CB 4.06Å; F408-C415 HydrophobicContact CD1-CB 4Å; F408-C415 PolarHBondContact O-N 3.32Å; F408-R418 HydrophobicContact CB-CB 4.12Å; F408-R418 HydrophobicContact CD1-CB 3.64Å; F408-R418 HydrophobicContact CD2-CB 4.27Å; F408-R418 HydrophobicContact CE1-CB 4.07Å; F408-R418 HydrophobicContact CG-CB 3.74Å; F408-A421 HydrophobicContact CE1-CB 4.02Å; F408-A421 HydrophobicContact CZ-CB 4.44Å; F408-V422 HydrophobicContact CE2-CG2 4.26Å; F408-V422 HydrophobicContact CZ-CG2 4.15Å
409G94.7Very high95.7Very high12 Ų1247.3 Ų47.312%0.12423%0.231CC..  trans74.1-158.7-172.800000113M406 P407M406-G409 PolarHBondContact O-N 3.11Å; P407-G409 VanDerWaalsContact C-N 3.26Å; P407-G409 PolarHBondContact O-N 2.77Å
410S91.3Very high95.8Very high8 Ų842.5 Ų42.56%0.05621%0.213CC..  trans-161.7155.5-176.5-76.60000112.8M406 T413M406-S410 WeakPolarHBondContact CE-OG 3.37Å; S410-T413 PolarHBondContact O-N 2.62Å; S410-T413 PolarHBondContact O-OG1 3.36Å; S410-T413 VanDerWaalsContact O-OG1 3.14Å
411G92.1Very high95.8Very high44 Ų4436.2 Ų36.245%0.45419%0.192SC..G310 helixtrans61.1-137.8-177.100000111.9T413 K414G411-T413 PolarHBondContact O-N 3.1Å; G411-K414 VanDerWaalsContact O-CB 3.31Å; G411-K414 WeakPolarHBondContact O-CB 3.48Å; G411-K414 PolarHBondContact O-N 3.32Å
412V89.9Confident95.9Very high68 Ų6837.3 Ų37.341%0.41220%0.199SC..G310 helixtrans-66.9-22179.4-64.70000113.8W98 K414W98-V412 HydrophobicContact CB-CG2 4.25Å; W98-V412 HydrophobicContact CD2-CG2 4.12Å; W98-V412 HydrophobicContact CG-CG2 3.76Å; V412-K414 VanDerWaalsContact C-N 3.28Å; V412-K414 PolarHBondContact O-N 2.79Å
413T88.7Confident96.1Very high26 Ų2631.4 Ų31.416%0.1618%0.176CC..G310 helixtrans-96.230.5174.457.20000112.5W98 N332 R334 S410 G411W98-T413 HydrophobicContact CB-CG2 3.69Å; W98-T413 HydrophobicContact CD2-CG2 4.3Å; W98-T413 HydrophobicContact CE3-CG2 3.92Å; W98-T413 HydrophobicContact CG-CG2 4.25Å; N332-T413 PolarHBondContact ND2-OG1 3.23Å; N332-T413 PolarHBondContact OD1-OG1 3.25Å; N332-T413 VanDerWaalsContact OD1-OG1 3.06Å; R334-T413 PolarHBondContact NH1-OG1 2.92Å; R334-T413 PolarHBondContact NH2-OG1 2.81Å; S410-T413 PolarHBondContact O-N 2.62Å; S410-T413 PolarHBondContact O-OG1 3.36Å; S410-T413 VanDerWaalsContact O-OG1 3.14Å; G411-T413 PolarHBondContact O-N 3.1Å
414K94.5Very high96.1Very high93 Ų9330.5 Ų30.540%0.40417%0.173SC..SBendtrans-80.1139169.7-154.9175.3-157.9179.20109F408 G411 V412F408-K414 HydrophobicContact CB-CG 4.5Å; F408-K414 CarbonylContact O-C 3.58Å; F408-K414 VanDerWaalsContact O-CA 3.26Å; F408-K414 WeakPolarHBondContact O-CA 3.47Å; F408-K414 WeakPolarHBondContact O-CG 3.1Å; G411-K414 VanDerWaalsContact O-CB 3.31Å; G411-K414 WeakPolarHBondContact O-CB 3.48Å; G411-K414 PolarHBondContact O-N 3.32Å; V412-K414 VanDerWaalsContact C-N 3.28Å; V412-K414 PolarHBondContact O-N 2.79Å
415C97.6Very high96.2Very high48 Ų4829 Ų2932%0.32417%0.166SC..  trans-54.4124.5177.7177.40000110.2F408 G417 R418F408-C415 HydrophobicContact CB-CB 4.06Å; F408-C415 HydrophobicContact CD1-CB 4Å; F408-C415 PolarHBondContact O-N 3.32Å; C415-G417 VanDerWaalsContact C-N 3.33Å; C415-G417 PolarHBondContact SG-N 2.95Å; C415-R418 HydrophobicContact CB-CB 4.25Å; C415-R418 WeakPolarHBondContact O-CB 3.45Å; C415-R418 WeakPolarHBondContact O-CD 3.3Å; C415-R418 WeakPolarHBondContact O-CG 3.46Å; C415-R418 PolarHBondContact O-N 3.05Å; C415-R418 PolarHBondContact O-NH1 2.76Å
416P97.3Very high96.2Very high26 Ų2626.9 Ų26.917%0.16916%0.158CC..THydrogen-bonded Turntrans-69.3-32.9179.627-33.4000112F130 L131 L134 Q135 R418F130-P416 HydrophobicContact CB-CB 3.66Å; F130-P416 HydrophobicContact CB-CG 3.73Å; F130-P416 HydrophobicContact CD2-CG 3.89Å; F130-P416 HydrophobicContact CG-CG 4.09Å; L131-P416 HydrophobicContact CD2-CB 4.38Å; L134-P416 HydrophobicContact CD1-CB 4.43Å; L134-P416 HydrophobicContact CD1-CG 4.4Å; Q135-P416 PolarHBondContact NE2-O 2.72Å; P416-R418 VanDerWaalsContact C-N 3.32Å; P416-R418 PolarHBondContact O-N 2.62Å
417G97.5Very high96.2Very high13 Ų1326.8 Ų26.813%0.13416%0.157CC..THydrogen-bonded Turntrans-84.47.8178.400000115.3C415 F419 F420 A421C415-G417 VanDerWaalsContact C-N 3.33Å; C415-G417 PolarHBondContact SG-N 2.95Å; G417-F419 PolarHBondContact O-N 2.99Å; G417-F419 VanDerWaalsContact O-N 3.11Å; G417-F420 PolarHBondContact O-N 2.63Å; G417-F420 VanDerWaalsContact O-N 3.17Å; G417-A421 WeakPolarHBondContact O-CB 3.28Å; G417-A421 PolarHBondContact O-N 3.11Å
418R97.8Very high96.2Very high43 Ų4326.2 Ų26.216%0.16215%0.154CC..Hα-helixtrans-54.5-33-174.970.4-168.8173.7-76-4.2114.6F408 C415 P416 V422F408-R418 HydrophobicContact CB-CB 4.12Å; F408-R418 HydrophobicContact CD1-CB 3.64Å; F408-R418 HydrophobicContact CD2-CB 4.27Å; F408-R418 HydrophobicContact CE1-CB 4.07Å; F408-R418 HydrophobicContact CG-CB 3.74Å; C415-R418 HydrophobicContact CB-CB 4.25Å; C415-R418 WeakPolarHBondContact O-CB 3.45Å; C415-R418 WeakPolarHBondContact O-CD 3.3Å; C415-R418 WeakPolarHBondContact O-CG 3.46Å; C415-R418 PolarHBondContact O-N 3.05Å; C415-R418 PolarHBondContact O-NH1 2.76Å; P416-R418 VanDerWaalsContact C-N 3.32Å; P416-R418 PolarHBondContact O-N 2.62Å; R418-V422 WeakPolarHBondContact O-CG2 3.05Å; R418-V422 PolarHBondContact O-N 3.2Å; R418-V422 VanDerWaalsContact O-N 3.15Å
419F97.1Very high96.3Very high70 Ų7024.2 Ų24.231%0.30715%0.145SC..Hα-helixtrans-73.8-50.5179.9-62.1-63.8000109.9Q135 L139 G417 A421 V422 Y423Q135-F419 HydrophobicContact CG-CD2 4.01Å; Q135-F419 HydrophobicContact CG-CE2 4.29Å; L139-F419 HydrophobicContact CD2-CB 3.69Å; L139-F419 HydrophobicContact CD2-CG 4.43Å; G417-F419 PolarHBondContact O-N 2.99Å; G417-F419 VanDerWaalsContact O-N 3.11Å; F419-A421 VanDerWaalsContact C-N 3.28Å; F419-A421 PolarHBondContact O-N 2.73Å; F419-V422 PolarHBondContact O-N 3.12Å; F419-V422 VanDerWaalsContact O-N 3.08Å; F419-Y423 HydrophobicContact CB-CD2 4.46Å; F419-Y423 HydrophobicContact CB-CE2 3.93Å; F419-Y423 WeakPolarHBondContact O-CD2 3.15Å; F419-Y423 VanDerWaalsContact O-CG 3.31Å; F419-Y423 PolarHBondContact O-N 2.96Å
420F98.2Very high96.4Very high11 Ų1123.6 Ų23.65%0.04814%0.139CC..Hα-helixtrans-54.9-44.3173.1-177.9-114.2000112.1L139 L142 M146 T187 G417 V422 Y423 E424L139-F420 HydrophobicContact CD1-CB 3.81Å; L139-F420 HydrophobicContact CD1-CD2 4.34Å; L142-F420 HydrophobicContact CB-CD2 4.3Å; L142-F420 HydrophobicContact CB-CE2 4.34Å; L142-F420 HydrophobicContact CD2-CB 4.16Å; L142-F420 HydrophobicContact CD2-CD1 3.91Å; L142-F420 HydrophobicContact CD2-CD2 3.5Å; L142-F420 HydrophobicContact CD2-CE1 4.2Å; L142-F420 HydrophobicContact CD2-CE2 3.84Å; L142-F420 HydrophobicContact CD2-CG 3.55Å; L142-F420 HydrophobicContact CD2-CZ 4.17Å; L142-F420 HydrophobicContact CG-CD2 3.67Å; L142-F420 HydrophobicContact CG-CE1 4.47Å; L142-F420 HydrophobicContact CG-CE2 3.55Å; L142-F420 HydrophobicContact CG-CG 4.22Å; L142-F420 HydrophobicContact CG-CZ 3.97Å; M146-F420 HydrophobicContact CB-CE2 3.79Å; M146-F420 HydrophobicContact CB-CZ 3.93Å; M146-F420 HydrophobicContact CG-CE2 4.12Å; M146-F420 HydrophobicContact CG-CZ 3.94Å; M146-F420 HydrophobicContact SD-CZ 4.21Å; T187-F420 HydrophobicContact CG2-CZ 4Å; G417-F420 PolarHBondContact O-N 2.63Å; G417-F420 VanDerWaalsContact O-N 3.17Å; F420-V422 VanDerWaalsContact C-N 3.31Å; F420-V422 PolarHBondContact O-N 3.41Å; F420-Y423 PolarHBondContact O-N 3.29Å; F420-Y423 VanDerWaalsContact O-N 3.1Å; F420-E424 HydrophobicContact CE2-CB 4.45Å; F420-E424 HydrophobicContact CZ-CB 4.25Å; F420-E424 WeakPolarHBondContact O-CG 3.21Å; F420-E424 PolarHBondContact O-N 2.85Å
421A98.3Very high96.6Very high11 Ų1123.3 Ų23.39%0.09114%0.137CC..Hα-helixtrans-59.1-38.9176.500000113.2F408 G417 F419 E424 I425F408-A421 HydrophobicContact CE1-CB 4.02Å; F408-A421 HydrophobicContact CZ-CB 4.44Å; G417-A421 WeakPolarHBondContact O-CB 3.28Å; G417-A421 PolarHBondContact O-N 3.11Å; F419-A421 VanDerWaalsContact C-N 3.28Å; F419-A421 PolarHBondContact O-N 2.73Å; A421-E424 WeakPolarHBondContact CA-OE1 3.36Å; A421-I425 WeakPolarHBondContact O-CD1 3.14Å; A421-I425 WeakPolarHBondContact O-CG1 3.42Å; A421-I425 PolarHBondContact O-N 3.37Å
422V98.4Very high96.7Very high27 Ų2721.2 Ų21.216%0.16412%0.115CC..Hα-helixtrans-67.9-44174.7167.60000110.6M320 F408 R418 F419 F420 K426M320-V422 HydrophobicContact CE-CB 4.35Å; M320-V422 HydrophobicContact CE-CG1 4.15Å; M320-V422 HydrophobicContact CE-CG2 4.42Å; F408-V422 HydrophobicContact CE2-CG2 4.26Å; F408-V422 HydrophobicContact CZ-CG2 4.15Å; R418-V422 WeakPolarHBondContact O-CG2 3.05Å; R418-V422 PolarHBondContact O-N 3.2Å; R418-V422 VanDerWaalsContact O-N 3.15Å; F419-V422 PolarHBondContact O-N 3.12Å; F419-V422 VanDerWaalsContact O-N 3.08Å; F420-V422 VanDerWaalsContact C-N 3.31Å; F420-V422 PolarHBondContact O-N 3.41Å; V422-K426 HydrophobicContact CG1-CD 4.13Å; V422-K426 HydrophobicContact CG1-CG 4.46Å; V422-K426 WeakPolarHBondContact O-CB 3.29Å; V422-K426 WeakPolarHBondContact O-CG 3.38Å; V422-K426 PolarHBondContact O-N 3.42Å
423Y98.4Very high97Very high3 Ų318.2 Ų18.21%0.01210%0.097CC..Hα-helixtrans-67.5-45.3-177.9-60.4-42.3000112.9L139 I143 R307 L310 D311 F419 F420 I425 K426 Q427L139-Y423 HydrophobicContact CD1-CD2 4.42Å; L139-Y423 HydrophobicContact CD2-CD2 4.45Å; L139-Y423 HydrophobicContact CD2-CE2 3.84Å; L139-Y423 HydrophobicContact CG-CE2 4.32Å; I143-Y423 HydrophobicContact CD1-CD2 3.29Å; I143-Y423 HydrophobicContact CD1-CE2 3.57Å; I143-Y423 HydrophobicContact CD1-CG 3.98Å; I143-Y423 HydrophobicContact CG1-CD2 3.64Å; I143-Y423 HydrophobicContact CG1-CE2 4.38Å; I143-Y423 HydrophobicContact CG1-CG 4.16Å; R307-Y423 HydrophobicContact CG-CE1 4.49Å; R307-Y423 HydrophobicContact CG-CE2 4.27Å; R307-Y423 WeakPolarHBondContact CG-OH 3.3Å; R307-Y423 PolarHBondContact NE-OH 2.79Å; L310-Y423 HydrophobicContact CB-CD1 3.76Å; L310-Y423 HydrophobicContact CB-CE1 4.07Å; L310-Y423 HydrophobicContact CD1-CD1 3.94Å; L310-Y423 HydrophobicContact CD1-CG 4.14Å; L310-Y423 HydrophobicContact CG-CD1 4.47Å; D311-Y423 WeakPolarHBondContact OD1-CE1 3.35Å; D311-Y423 PolarHBondContact OD1-OH 2.81Å; D311-Y423 PolarHBondContact OD2-OH 2.86Å; F419-Y423 HydrophobicContact CB-CD2 4.46Å; F419-Y423 HydrophobicContact CB-CE2 3.93Å; F419-Y423 WeakPolarHBondContact O-CD2 3.15Å; F419-Y423 VanDerWaalsContact O-CG 3.31Å; F419-Y423 PolarHBondContact O-N 2.96Å; F420-Y423 PolarHBondContact O-N 3.29Å; F420-Y423 VanDerWaalsContact O-N 3.1Å; Y423-I425 VanDerWaalsContact C-N 3.27Å; Y423-I425 PolarHBondContact O-N 3.23Å; Y423-K426 PolarHBondContact O-N 3.22Å; Y423-Q427 WeakPolarHBondContact O-CB 3.42Å; Y423-Q427 WeakPolarHBondContact O-CG 3.14Å; Y423-Q427 PolarHBondContact O-N 3.42Å
424E98.1Very high97.2Very high3 Ų317.1 Ų17.11%0.0149%0.09CC..Hα-helixtrans-62.4-36.1-179.770.8-178154.800111.9M146 M180 T259 F420 A421 F428M146-E424 HydrophobicContact CE-CB 3.87Å; M146-E424 HydrophobicContact CG-CB 3.82Å; M146-E424 HydrophobicContact SD-CB 4.49Å; M180-E424 HydrophobicContact CE-CB 4.09Å; M180-E424 HydrophobicContact CE-CG 3.79Å; T259-E424 WeakPolarHBondContact CB-OE1 3.33Å; T259-E424 VanDerWaalsContact CG2-CD 3.4Å; T259-E424 HydrophobicContact CG2-CG 3.96Å; T259-E424 WeakPolarHBondContact CG2-OE1 3.47Å; T259-E424 PolarHBondContact OG1-OE1 2.86Å; F420-E424 HydrophobicContact CE2-CB 4.45Å; F420-E424 HydrophobicContact CZ-CB 4.25Å; F420-E424 WeakPolarHBondContact O-CG 3.21Å; F420-E424 PolarHBondContact O-N 2.85Å; A421-E424 WeakPolarHBondContact CA-OE1 3.36Å; E424-F428 WeakPolarHBondContact O-CB 3.39Å; E424-F428 PolarHBondContact O-N 2.63Å
425I98.7Very high96.9Very high2 Ų214.4 Ų14.41%0.018%0.077CC..Hα-helixtrans-71.3-43.5175.2-60.8170.9000110.5T259 A262 M320 A421 Y423 Q427 F428 L429T259-I425 HydrophobicContact CG2-CG1 4.3Å; A262-I425 HydrophobicContact CB-CD1 3.72Å; M320-I425 HydrophobicContact CE-CB 3.54Å; M320-I425 HydrophobicContact CE-CD1 4.08Å; M320-I425 HydrophobicContact CE-CG1 4.38Å; M320-I425 HydrophobicContact CE-CG2 3.58Å; M320-I425 HydrophobicContact CG-CG2 3.98Å; M320-I425 HydrophobicContact SD-CB 4.12Å; M320-I425 HydrophobicContact SD-CG2 3.69Å; A421-I425 WeakPolarHBondContact O-CD1 3.14Å; A421-I425 WeakPolarHBondContact O-CG1 3.42Å; A421-I425 PolarHBondContact O-N 3.37Å; Y423-I425 VanDerWaalsContact C-N 3.27Å; Y423-I425 PolarHBondContact O-N 3.23Å; I425-Q427 VanDerWaalsContact C-N 3.33Å; I425-Q427 PolarHBondContact O-N 2.78Å; I425-F428 PolarHBondContact O-N 2.83Å; I425-L429 HydrophobicContact CG2-CD1 4.01Å; I425-L429 HydrophobicContact CG2-CG 4.28Å; I425-L429 VanDerWaalsContact O-CG 3.3Å; I425-L429 WeakPolarHBondContact O-CG 3.46Å; I425-L429 PolarHBondContact O-N 2.85Å
426K98.5Very high96.7Very high0 Ų012.3 Ų12.30%06%0.063CC..Hα-helixtrans-60.4-42.3175.3-80.8-175.8170.7176.40112.2L310 M313 L316 D317 M320 V422 Y423 L429 T430L310-K426 HydrophobicContact CD2-CB 4.11Å; L310-K426 WeakPolarHBondContact O-CD 3.45Å; L310-K426 PolarHBondContact O-NZ 3.1Å; M313-K426 HydrophobicContact CB-CD 4.42Å; L316-K426 HydrophobicContact CB-CG 4.32Å; D317-K426 WeakPolarHBondContact OD1-CE 3.22Å; D317-K426 IonicContact OD1-NZ 2.74Å; D317-K426 PolarHBondContact OD1-NZ 2.85Å; D317-K426 IonicContact OD2-NZ 3.59Å; D317-K426 PolarHBondContact OD2-NZ 2.89Å; M320-K426 HydrophobicContact CE-CG 4.47Å; M320-K426 HydrophobicContact SD-CG 3.63Å; V422-K426 HydrophobicContact CG1-CD 4.13Å; V422-K426 HydrophobicContact CG1-CG 4.46Å; V422-K426 WeakPolarHBondContact O-CB 3.29Å; V422-K426 WeakPolarHBondContact O-CG 3.38Å; V422-K426 PolarHBondContact O-N 3.42Å; Y423-K426 PolarHBondContact O-N 3.22Å; K426-L429 PolarHBondContact O-N 3.1Å; K426-T430 VanDerWaalsContact O-CB 3.23Å; K426-T430 WeakPolarHBondContact O-CB 3.33Å; K426-T430 PolarHBondContact O-N 3.31Å; K426-T430 PolarHBondContact O-OG1 3.34Å
427Q98.2Very high96.4Very high0 Ų013.8 Ų13.80%07%0.069CC..Hα-helixtrans-61.2-50.2175.7-72.3174-27.400110.4I143 M147 L150 L310 Y423 I425 L429 T430 L431I143-Q427 PolarHBondContact O-NE2 2.83Å; M147-Q427 HydrophobicContact CE-CB 3.87Å; M147-Q427 HydrophobicContact CE-CG 3.62Å; M147-Q427 HydrophobicContact SD-CB 3.83Å; M147-Q427 HydrophobicContact SD-CG 3.92Å; L150-Q427 HydrophobicContact CD1-CB 3.68Å; L310-Q427 HydrophobicContact CD1-CG 4.14Å; L310-Q427 HydrophobicContact CD2-CG 4.08Å; Y423-Q427 WeakPolarHBondContact O-CB 3.42Å; Y423-Q427 WeakPolarHBondContact O-CG 3.14Å; Y423-Q427 PolarHBondContact O-N 3.42Å; I425-Q427 VanDerWaalsContact C-N 3.33Å; I425-Q427 PolarHBondContact O-N 2.78Å; Q427-L429 PolarHBondContact O-N 2.81Å; Q427-T430 WeakPolarHBondContact O-CB 3.2Å; Q427-T430 PolarHBondContact O-N 3.31Å; Q427-L431 VanDerWaalsContact O-CG 3.31Å; Q427-L431 WeakPolarHBondContact O-CG 3.47Å; Q427-L431 PolarHBondContact O-N 2.99Å
428F98.3Very high96.3Very high0 Ų014.2 Ų14.20%07%0.068CC..Hα-helixtrans-55.5-51.2175.3172.7-90.2000112.1L150 M154 F175 V179 M180 T263 L267 E424 I425 T430 L431 M432L150-F428 HydrophobicContact CD1-CB 4.38Å; L150-F428 HydrophobicContact CD2-CB 4.43Å; L150-F428 HydrophobicContact CD2-CD2 4.29Å; M154-F428 HydrophobicContact CE-CD2 4.41Å; M154-F428 HydrophobicContact CE-CE2 4.36Å; M154-F428 HydrophobicContact SD-CD2 4.17Å; M154-F428 HydrophobicContact SD-CE2 4.49Å; F175-F428 HydrophobicContact CD1-CE2 4.45Å; F175-F428 HydrophobicContact CD1-CZ 4.14Å; F175-F428 AromaticContact CE1-CE2 3.9Å; F175-F428 HydrophobicContact CE1-CE2 3.9Å; F175-F428 AromaticContact CE1-CZ 3.81Å; F175-F428 HydrophobicContact CE1-CZ 3.81Å; V179-F428 HydrophobicContact CB-CE2 4.07Å; V179-F428 HydrophobicContact CG1-CD2 3.86Å; V179-F428 HydrophobicContact CG1-CE2 3.81Å; M180-F428 HydrophobicContact CG-CD2 4.26Å; M180-F428 HydrophobicContact SD-CB 3.66Å; M180-F428 HydrophobicContact SD-CD2 3.64Å; M180-F428 HydrophobicContact SD-CE2 4.49Å; M180-F428 HydrophobicContact SD-CG 3.75Å; T263-F428 HydrophobicContact CG2-CD1 3.23Å; T263-F428 HydrophobicContact CG2-CD2 4.36Å; T263-F428 HydrophobicContact CG2-CE1 3.33Å; T263-F428 HydrophobicContact CG2-CE2 4.44Å; T263-F428 HydrophobicContact CG2-CG 3.78Å; T263-F428 HydrophobicContact CG2-CZ 3.97Å; L267-F428 HydrophobicContact CB-CE1 4.41Å; L267-F428 HydrophobicContact CD2-CE1 3.87Å; L267-F428 HydrophobicContact CD2-CZ 4.01Å; E424-F428 WeakPolarHBondContact O-CB 3.39Å; E424-F428 PolarHBondContact O-N 2.63Å; I425-F428 PolarHBondContact O-N 2.83Å; F428-T430 VanDerWaalsContact C-N 3.3Å; F428-T430 PolarHBondContact O-N 3.48Å; F428-L431 PolarHBondContact O-N 3.13Å; F428-M432 HydrophobicContact CD1-CG 4.11Å; F428-M432 HydrophobicContact CE1-CG 3.67Å; F428-M432 HydrophobicContact CE1-SD 4.49Å; F428-M432 HydrophobicContact CE2-CG 4.2Å; F428-M432 HydrophobicContact CE2-SD 4.19Å; F428-M432 HydrophobicContact CZ-CG 3.72Å; F428-M432 HydrophobicContact CZ-SD 3.95Å; F428-M432 WeakPolarHBondContact O-CG 3.36Å; F428-M432 PolarHBondContact O-N 3.4Å
429L98.6Very high96.2Very high0 Ų016.2 Ų16.20%08%0.079CC..Hα-helixtrans-62.6-38.4179.3-66.1175.3000111.8L267 M270 L316 M320 I425 K426 Q427 M432 L433L267-L429 HydrophobicContact CB-CD2 4.07Å; L267-L429 HydrophobicContact CD1-CD2 4.17Å; M270-L429 HydrophobicContact CE-CD2 3.85Å; L316-L429 HydrophobicContact CD2-CB 4.33Å; L316-L429 HydrophobicContact CD2-CD1 4.23Å; M320-L429 HydrophobicContact CG-CD1 3.96Å; M320-L429 HydrophobicContact SD-CD1 4.21Å; I425-L429 HydrophobicContact CG2-CD1 4.01Å; I425-L429 HydrophobicContact CG2-CG 4.28Å; I425-L429 VanDerWaalsContact O-CG 3.3Å; I425-L429 WeakPolarHBondContact O-CG 3.46Å; I425-L429 PolarHBondContact O-N 2.85Å; K426-L429 PolarHBondContact O-N 3.1Å; Q427-L429 PolarHBondContact O-N 2.81Å; L429-M432 PolarHBondContact O-N 2.97Å; L429-L433 WeakPolarHBondContact O-CB 3.15Å; L429-L433 WeakPolarHBondContact O-CD1 3.39Å; L429-L433 WeakPolarHBondContact O-CG 3.31Å; L429-L433 PolarHBondContact O-N 3.36Å
430T97.3Very high96.3Very high0 Ų013.6 Ų13.60%07%0.069CC..Hα-helixtrans-62-43.2175.4-64.40000111.6V284 L305 K426 Q427 F428 L433 S434V284-T430 HydrophobicContact CG1-CG2 3.89Å; L305-T430 HydrophobicContact CD1-CG2 3.92Å; K426-T430 VanDerWaalsContact O-CB 3.23Å; K426-T430 WeakPolarHBondContact O-CB 3.33Å; K426-T430 PolarHBondContact O-N 3.31Å; K426-T430 PolarHBondContact O-OG1 3.34Å; Q427-T430 WeakPolarHBondContact O-CB 3.2Å; Q427-T430 PolarHBondContact O-N 3.31Å; F428-T430 VanDerWaalsContact C-N 3.3Å; F428-T430 PolarHBondContact O-N 3.48Å; T430-L433 PolarHBondContact O-N 3.08Å; T430-S434 WeakPolarHBondContact O-CB 3.16Å; T430-S434 PolarHBondContact O-N 3.44Å; T430-S434 PolarHBondContact O-OG 2.65Å
431L94.7Very high96.2Very high1 Ų117 Ų171%0.0059%0.087CC..Hα-helixtrans-67-42.8176.5-66.7172.7000111.4M147 L150 Q151 M154 L303 Q427 F428 L433 S434 Y435M147-L431 HydrophobicContact SD-CD1 3.97Å; M147-L431 HydrophobicContact SD-CD2 4.27Å; M147-L431 HydrophobicContact SD-CG 4.2Å; L150-L431 HydrophobicContact CB-CD1 3.47Å; L150-L431 VanDerWaalsContact CB-CD1 3.47Å; L150-L431 HydrophobicContact CD1-CD1 4.26Å; L150-L431 HydrophobicContact CG-CD1 4.44Å; Q151-L431 HydrophobicContact CG-CD1 3.98Å; Q151-L431 HydrophobicContact CG-CD2 3.61Å; Q151-L431 HydrophobicContact CG-CG 4.48Å; M154-L431 HydrophobicContact CE-CB 3.81Å; M154-L431 HydrophobicContact SD-CB 3.93Å; M154-L431 HydrophobicContact SD-CD1 3.79Å; L303-L431 HydrophobicContact CB-CD2 4.44Å; L303-L431 HydrophobicContact CD1-CD2 4.1Å; Q427-L431 VanDerWaalsContact O-CG 3.31Å; Q427-L431 WeakPolarHBondContact O-CG 3.47Å; Q427-L431 PolarHBondContact O-N 2.99Å; F428-L431 PolarHBondContact O-N 3.13Å; L431-L433 VanDerWaalsContact C-N 3.35Å; L431-L433 PolarHBondContact O-N 2.98Å; L431-S434 PolarHBondContact O-N 3.01Å; L431-Y435 HydrophobicContact CB-CD2 4.4Å; L431-Y435 HydrophobicContact CD2-CD2 3.96Å; L431-Y435 HydrophobicContact CD2-CE2 3.61Å; L431-Y435 WeakPolarHBondContact O-CB 3.41Å; L431-Y435 PolarHBondContact O-N 3.31Å
432M95.8Very high96Very high0 Ų020.1 Ų20.10%010%0.102CC..Hα-helixtrans-57.2-48173.8-68.9-54.1-67.800111.2M154 F175 L267 F428 L429 S434 F436 M438 F468M154-M432 HydrophobicContact CE-CG 4.01Å; M154-M432 HydrophobicContact CE-SD 3.28Å; M154-M432 WeakPolarHBondContact CE-SD 3.49Å; F175-M432 HydrophobicContact CD1-CE 4.5Å; F175-M432 HydrophobicContact CE1-CE 3.67Å; F175-M432 HydrophobicContact CE1-SD 3.51Å; F175-M432 VanDerWaalsContact CE1-SD 3.51Å; F175-M432 HydrophobicContact CZ-CE 3.95Å; F175-M432 HydrophobicContact CZ-SD 3.81Å; L267-M432 HydrophobicContact CD1-CG 4.45Å; L267-M432 HydrophobicContact CD2-CE 4.35Å; F428-M432 HydrophobicContact CD1-CG 4.11Å; F428-M432 HydrophobicContact CE1-CG 3.67Å; F428-M432 HydrophobicContact CE1-SD 4.49Å; F428-M432 HydrophobicContact CE2-CG 4.2Å; F428-M432 HydrophobicContact CE2-SD 4.19Å; F428-M432 HydrophobicContact CZ-CG 3.72Å; F428-M432 HydrophobicContact CZ-SD 3.95Å; F428-M432 WeakPolarHBondContact O-CG 3.36Å; F428-M432 PolarHBondContact O-N 3.4Å; L429-M432 PolarHBondContact O-N 2.97Å; M432-S434 PolarHBondContact O-N 3.36Å; M432-F436 HydrophobicContact CE-CD2 4.48Å; M432-F436 WeakPolarHBondContact O-CB 3.45Å; M432-F436 PolarHBondContact O-N 3.29Å; M432-F436 VanDerWaalsContact O-N 3.08Å; M432-F436 HydrophobicContact SD-CD2 4.15Å; M432-F436 HydrophobicContact SD-CE2 4.49Å; M432-M438 HydrophobicContact CB-CE 3.91Å; M432-M438 HydrophobicContact CB-SD 3.89Å; M432-M438 HydrophobicContact CE-CG 4.03Å; M432-M438 HydrophobicContact CE-SD 3.22Å; M432-M438 WeakPolarHBondContact CE-SD 3.31Å; M432-M438 HydrophobicContact CG-SD 4.43Å; M432-F468 HydrophobicContact CE-CE2 4.21Å; M432-F468 HydrophobicContact CE-CZ 4.5Å
433L95.9Very high95.7Very high6 Ų624 Ų243%0.03113%0.128CC..Hα-helixtrans-70-30.1-179.7-69.6168000113.4M270 M277 A280 Q281 V284 L316 L429 T430 L431 M438 K473M270-L433 HydrophobicContact CE-CD1 4.28Å; M270-L433 HydrophobicContact CE-CD2 3.89Å; M270-L433 HydrophobicContact CE-CG 4.01Å; M270-L433 HydrophobicContact SD-CD1 3.93Å; M270-L433 HydrophobicContact SD-CD2 4.06Å; M270-L433 HydrophobicContact SD-CG 4.26Å; M277-L433 HydrophobicContact SD-CD2 3.47Å; M277-L433 WeakPolarHBondContact SD-CD2 3.27Å; A280-L433 HydrophobicContact CB-CD1 3.8Å; Q281-L433 HydrophobicContact CG-CD2 3.72Å; V284-L433 HydrophobicContact CG2-CD1 3.72Å; L316-L433 HydrophobicContact CD2-CD1 4.23Å; L429-L433 WeakPolarHBondContact O-CB 3.15Å; L429-L433 WeakPolarHBondContact O-CD1 3.39Å; L429-L433 WeakPolarHBondContact O-CG 3.31Å; L429-L433 PolarHBondContact O-N 3.36Å; T430-L433 PolarHBondContact O-N 3.08Å; L431-L433 VanDerWaalsContact C-N 3.35Å; L431-L433 PolarHBondContact O-N 2.98Å; L433-M438 HydrophobicContact CD2-CE 4.45Å; L433-K473 PolarHBondContact O-NZ 3.22Å
434S91.8Very high95.4Very high2 Ų227.7 Ų27.71%0.01416%0.159CC..Hα-helixtrans-80.7-43.3-178.8-600000112.1M295 T430 L431 M432M295-S434 WeakPolarHBondContact CE-O 3.44Å; T430-S434 WeakPolarHBondContact O-CB 3.16Å; T430-S434 PolarHBondContact O-N 3.44Å; T430-S434 PolarHBondContact O-OG 2.65Å; L431-S434 PolarHBondContact O-N 3.01Å; M432-S434 PolarHBondContact O-N 3.36Å
435Y89.4Confident95.3Very high36 Ų3629.4 Ų29.414%0.14117%0.167CC..Hα-helixtrans-105-17.4-168.8-69-68.1000115.1L155 L303 L431 R472 K473L155-Y435 HydrophobicContact CD1-CD1 4.37Å; L155-Y435 HydrophobicContact CD1-CD2 3.89Å; L155-Y435 HydrophobicContact CD1-CE1 4.11Å; L155-Y435 HydrophobicContact CD1-CE2 3.58Å; L155-Y435 HydrophobicContact CD1-CG 4.27Å; L155-Y435 HydrophobicContact CD2-CD1 4.23Å; L155-Y435 HydrophobicContact CD2-CD2 4Å; L155-Y435 HydrophobicContact CD2-CG 3.82Å; L303-Y435 HydrophobicContact CD1-CE2 3.59Å; L303-Y435 HydrophobicContact CG-CE2 4.36Å; L431-Y435 HydrophobicContact CB-CD2 4.4Å; L431-Y435 HydrophobicContact CD2-CD2 3.96Å; L431-Y435 HydrophobicContact CD2-CE2 3.61Å; L431-Y435 WeakPolarHBondContact O-CB 3.41Å; L431-Y435 PolarHBondContact O-N 3.31Å; Y435-R472 CarbonylContact O-C 3.48Å; Y435-R472 WeakPolarHBondContact O-CA 3.38Å; Y435-K473 PolarHBondContact O-N 2.99Å
436F91.6Very high95.1Very high4 Ų439 Ų392%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-124.9135.7-171-59-90.1000113.1M154 L155 P162 M432 M438 Y470 K471 R472 K473M154-F436 HydrophobicContact CE-CD2 4.44Å; M154-F436 HydrophobicContact CE-CE2 3.86Å; L155-F436 HydrophobicContact CD2-CE2 4.17Å; L155-F436 HydrophobicContact CD2-CZ 4.13Å; P162-F436 HydrophobicContact CG-CE1 3.93Å; M432-F436 HydrophobicContact CE-CD2 4.48Å; M432-F436 WeakPolarHBondContact O-CB 3.45Å; M432-F436 PolarHBondContact O-N 3.29Å; M432-F436 VanDerWaalsContact O-N 3.08Å; M432-F436 HydrophobicContact SD-CD2 4.15Å; M432-F436 HydrophobicContact SD-CE2 4.49Å; F436-M438 HydrophobicContact CB-CG 4Å; F436-Y470 AromaticContact CD1-CD2 3.81Å; F436-Y470 HydrophobicContact CD1-CD2 3.81Å; F436-Y470 AromaticContact CE1-CD2 3.99Å; F436-Y470 HydrophobicContact CE1-CD2 3.99Å; F436-Y470 HydrophobicContact CE1-CE2 4.43Å; F436-K471 CarbonylContact C-O 3.43Å; F436-K471 WeakPolarHBondContact CA-O 3.31Å; F436-R472 HydrophobicContact CD1-CG 4.39Å; F436-R472 HydrophobicContact CE1-CG 4.03Å; F436-K473 VanDerWaalsContact C-CE 3.45Å; F436-K473 WeakPolarHBondContact O-CE 3.24Å
437D92.6Very high95.1Very high57 Ų5741.6 Ų41.631%0.30522%0.219SC..EExtended strand (participates in β ladder)trans-80.8138.7154.2-66.5-37.9000107.9W167 Y470 K471 K473W167-D437 HydrophobicContact CH2-CB 3.67Å; W167-D437 HydrophobicContact CZ2-CB 4.23Å; W167-D437 HydrophobicContact CZ3-CB 4.34Å; W167-D437 WeakPolarHBondContact CZ3-O 3.3Å; D437-Y470 CarbonylContact O-C 3.56Å; D437-Y470 WeakPolarHBondContact O-CA 3.33Å; D437-K471 HydrophobicContact CB-CG 3.92Å; D437-K471 PolarHBondContact N-O 3.24Å; D437-K471 PolarHBondContact O-N 2.91Å; D437-K471 VanDerWaalsContact OD2-CE 3.29Å; D437-K471 WeakPolarHBondContact OD2-CE 3.19Å; D437-K473 VanDerWaalsContact OD1-CE 3.25Å; D437-K473 WeakPolarHBondContact OD1-CE 3.41Å
438M95.2Very high95Very high22 Ų2241.7 Ų41.711%0.10822%0.22CC..EExtended strand (participates in β ladder)trans-144.1137.5-172.8-60.1170.8-78.800111.1L267 I271 M277 M432 L433 F436 F468 R469L267-M438 HydrophobicContact CD1-SD 4Å; I271-M438 HydrophobicContact CD1-CB 4.21Å; I271-M438 HydrophobicContact CD1-SD 4.21Å; M277-M438 HydrophobicContact CE-CE 4.31Å; M432-M438 HydrophobicContact CB-CE 3.91Å; M432-M438 HydrophobicContact CB-SD 3.89Å; M432-M438 HydrophobicContact CE-CG 4.03Å; M432-M438 HydrophobicContact CE-SD 3.22Å; M432-M438 WeakPolarHBondContact CE-SD 3.31Å; M432-M438 HydrophobicContact CG-SD 4.43Å; L433-M438 HydrophobicContact CD2-CE 4.45Å; F436-M438 HydrophobicContact CB-CG 4Å; M438-F468 HydrophobicContact CB-CD2 4.39Å; M438-F468 HydrophobicContact CG-CE2 4.26Å; M438-R469 WeakPolarHBondContact CA-O 3.24Å
439E95.8Very high95Very high85 Ų8545.1 Ų45.140%0.39724%0.242SC..EExtended strand (participates in β ladder)trans-146142.5178-62.6177.7177.900110.7W167 F468 R469W167-E439 HydrophobicContact CH2-CG 4.11Å; E439-F468 CarbonylContact O-C 3.55Å; E439-F468 WeakPolarHBondContact O-CA 3.4Å; E439-F468 WeakPolarHBondContact O-CB 3.48Å; E439-R469 HydrophobicContact CB-CG 4.09Å; E439-R469 PolarHBondContact N-O 3.12Å; E439-R469 PolarHBondContact O-N 3.25Å; E439-R469 IonicContact OE2-CZ 2.72Å; E439-R469 IonicContact OE2-NE 3.51Å; E439-R469 PolarHBondContact OE2-NE 2.92Å; E439-R469 IonicContact OE2-NH2 2.8Å; E439-R469 PolarHBondContact OE2-NH2 3.03Å
440L97.7Very high94.9Very high16 Ų1646.8 Ų46.88%0.08425%0.251CS..EExtended strand (participates in β ladder)trans-64.7139.3167.1-62.4177.6000109.3I172 F268 I271 R272 D442 I445 V466 F468I172-L440 HydrophobicContact CD1-CD2 3.68Å; F268-L440 HydrophobicContact CD2-CD2 4.47Å; I271-L440 HydrophobicContact CG2-CD2 4.08Å; I271-L440 HydrophobicContact CG2-CG 3.79Å; R272-L440 HydrophobicContact CB-CD1 4.16Å; L440-D442 VanDerWaalsContact C-N 3.31Å; L440-I445 HydrophobicContact CD1-CG2 3.96Å; L440-V466 HydrophobicContact CD2-CG1 3.98Å; L440-F468 HydrophobicContact CD2-CB 4.43Å
441L96.3Very high94.7Very high81 Ų8148.8 Ų48.842%0.42426%0.262SS..SBendtrans-66.3-37.4174.1-76.4-163.9000112.2V169 D467 R469V169-L441 HydrophobicContact CG1-CD1 3.63Å; V169-L441 HydrophobicContact CG1-CG 4.48Å; V169-L441 HydrophobicContact CG2-CD1 4.14Å; V169-L441 HydrophobicContact CG2-CD2 4.2Å; L441-D467 HydrophobicContact CB-CB 4.29Å; L441-D467 HydrophobicContact CD1-CB 3.73Å; L441-D467 HydrophobicContact CG-CB 4.1Å; L441-D467 PolarHBondContact N-O 3.29Å; L441-D467 VanDerWaalsContact N-O 3.15Å; L441-R469 HydrophobicContact CD2-CB 3.93Å; L441-R469 HydrophobicContact CD2-CG 4Å
442D95.9Very high94.3Very high77 Ų7751.5 Ų51.541%0.41227%0.274SS..SBendtrans-112.6103169.7175.812.3000109.4L440 A444 I445L440-D442 VanDerWaalsContact C-N 3.31Å; D442-A444 PolarHBondContact O-N 3.28Å; D442-A444 WeakPolarHBondContact OD1-CA 3.49Å; D442-A444 WeakPolarHBondContact OD1-CB 3.34Å; D442-A444 PolarHBondContact OD1-N 3.4Å; D442-I445 HydrophobicContact CB-CB 4.06Å; D442-I445 VanDerWaalsContact CG-N 3.3Å; D442-I445 VanDerWaalsContact O-CB 3.31Å; D442-I445 WeakPolarHBondContact O-CB 3.4Å; D442-I445 VanDerWaalsContact O-CG2 3.24Å; D442-I445 WeakPolarHBondContact O-CG2 3.33Å; D442-I445 PolarHBondContact O-N 3.42Å; D442-I445 VanDerWaalsContact O-N 3.12Å; D442-I445 PolarHBondContact OD1-N 2.67Å; D442-I445 WeakPolarHBondContact OD2-CA 3.46Å; D442-I445 PolarHBondContact OD2-N 3.31Å
443P91.2Very high93.7Very high110 Ų11056.2 Ų56.271%0.71431%0.307SS*.THydrogen-bonded Turntrans-60.8-23.2176-23.734.2000113.6
444A93Very high93.3Very high79 Ų7958.6 Ų58.665%0.65332%0.316SS*.THydrogen-bonded Turntrans-96.24.5-179.700000113.2D442 R446D442-A444 PolarHBondContact O-N 3.28Å; D442-A444 WeakPolarHBondContact OD1-CA 3.49Å; D442-A444 WeakPolarHBondContact OD1-CB 3.34Å; D442-A444 PolarHBondContact OD1-N 3.4Å; A444-R446 PolarHBondContact O-N 2.87Å
445I94.9Very high93.1Very high39 Ų3959.7 Ų59.720%0.233%0.325CS..PPolyproline II helixtrans-50.1144.1-178.6-168.359.8000109.9F268 R272 L440 D442 V466F268-I445 HydrophobicContact CE2-CG2 4.34Å; R272-I445 PolarHBondContact NH1-O 2.88Å; R272-I445 PolarHBondContact NH2-O 3.3Å; L440-I445 HydrophobicContact CD1-CG2 3.96Å; D442-I445 HydrophobicContact CB-CB 4.06Å; D442-I445 VanDerWaalsContact CG-N 3.3Å; D442-I445 VanDerWaalsContact O-CB 3.31Å; D442-I445 WeakPolarHBondContact O-CB 3.4Å; D442-I445 VanDerWaalsContact O-CG2 3.24Å; D442-I445 WeakPolarHBondContact O-CG2 3.33Å; D442-I445 PolarHBondContact O-N 3.42Å; D442-I445 VanDerWaalsContact O-N 3.12Å; D442-I445 PolarHBondContact OD1-N 2.67Å; D442-I445 WeakPolarHBondContact OD2-CA 3.46Å; D442-I445 PolarHBondContact OD2-N 3.31Å; I445-V466 HydrophobicContact CG1-CG1 4.39Å; I445-V466 HydrophobicContact CG2-CG1 4.25Å
446R95.1Very high93.1Very high204 Ų20458.9 Ų58.977%0.7733%0.327SS*.PPolyproline II helixtrans-81.8150.5173.1-67.8-176-179.3-1800.6110.2A444 P448A444-R446 PolarHBondContact O-N 2.87Å; R446-P448 WeakPolarHBondContact O-CD 3.25Å
447V97.2Very high93Very high54 Ų5462.9 Ų62.933%0.32735%0.349SS..PPolyproline II helixtrans-55.9122.8171.1-179.30000108.4W265 F268 Y269W265-V447 HydrophobicContact CH2-CG1 4.37Å; W265-V447 HydrophobicContact CZ3-CG1 3.92Å; F268-V447 HydrophobicContact CE1-CB 4.34Å; F268-V447 HydrophobicContact CE1-CG1 4.06Å; F268-V447 HydrophobicContact CE1-CG2 4.07Å; F268-V447 HydrophobicContact CZ-CG2 4.27Å; Y269-V447 HydrophobicContact CE1-CG1 4.31Å; Y269-V447 HydrophobicContact CE1-CG2 4.16Å; Y269-V447 WeakPolarHBondContact OH-CG1 3.48Å
448P97.3Very high93.1Very high3 Ų360.4 Ų60.42%0.01934%0.336CS..PPolyproline II helixtrans-57.6137.7176.4-22.731.8000110.6W265 R446 P462 Y464 V466W265-P448 HydrophobicContact CH2-CB 4.28Å; W265-P448 WeakPolarHBondContact CH2-O 3.44Å; R446-P448 WeakPolarHBondContact O-CD 3.25Å; P448-P462 HydrophobicContact CB-CB 3.71Å; P448-P462 HydrophobicContact CG-CB 4.22Å; P448-Y464 HydrophobicContact CB-CD2 4.18Å; P448-Y464 HydrophobicContact CB-CE1 4.23Å; P448-Y464 HydrophobicContact CB-CE2 3.84Å; P448-Y464 HydrophobicContact CG-CD2 4.2Å; P448-Y464 HydrophobicContact CG-CE2 3.73Å; P448-V466 HydrophobicContact CG-CG2 3.33Å
449P97.3Very high93.3Very high71 Ų7159.9 Ų59.946%0.46133%0.334SS..PPolyproline II helixtrans-56150.1170-2533.6000111.8T463P449-T463 HydrophobicContact CB-CG2 4.06Å; P449-T463 WeakPolarHBondContact CD-OG1 3.32Å; P449-T463 WeakPolarHBondContact O-CG2 3.43Å; P449-T463 PolarHBondContact O-N 3.4Å; P449-T463 PolarHBondContact O-OG1 3.46Å
450L96.4Very high93.3Very high36 Ų3656 Ų5619%0.18832%0.315CS..BIsolated β-bridgetrans-77.2130.5173.2-56.2173.3000109.8W265 L326 Q452 L460W265-L450 HydrophobicContact CH2-CD2 4Å; W265-L450 HydrophobicContact CZ2-CD2 3.39Å; L326-L450 VanDerWaalsContact O-CD1 3.31Å; L326-L450 WeakPolarHBondContact O-CD1 3.39Å; L450-Q452 PolarHBondContact O-N 2.83Å; L450-L460 HydrophobicContact CB-CB 3.94Å; L450-L460 HydrophobicContact CB-CD1 3.62Å; L450-L460 HydrophobicContact CB-CG 4.43Å; L450-L460 HydrophobicContact CD1-CD1 4.05Å; L450-L460 HydrophobicContact CD2-CB 4.22Å; L450-L460 HydrophobicContact CG-CD1 4.38Å
451D92.8Very high93.3Very high42 Ų4257.4 Ų57.423%0.22532%0.322CS..  trans-68.694.2175.2176.513.4000111.2S453 R454 Q461 T463D451-S453 PolarHBondContact O-N 3.27Å; D451-S453 VanDerWaalsContact O-N 3.17Å; D451-S453 WeakPolarHBondContact OD1-CB 3.38Å; D451-S453 PolarHBondContact OD1-N 3.29Å; D451-S453 PolarHBondContact OD1-OG 2.89Å; D451-S453 PolarHBondContact OD2-OG 2.59Å; D451-R454 PolarHBondContact O-N 3.26Å; D451-R454 WeakPolarHBondContact OD2-CG 3.42Å; D451-Q461 WeakPolarHBondContact CB-O 3.49Å; D451-Q461 PolarHBondContact N-O 3.43Å; D451-T463 HydrophobicContact CB-CG2 4.25Å
452Q87.5Confident93.3Very high57 Ų5754.2 Ų54.227%0.26631%0.306SS..G310 helixtrans-65.7-14.5-178.7-63-59.7-4000113.6L450 R454 A455L450-Q452 PolarHBondContact O-N 2.83Å; Q452-R454 PolarHBondContact O-N 3.07Å; Q452-R454 VanDerWaalsContact O-N 3.07Å; Q452-A455 VanDerWaalsContact O-CB 3.31Å; Q452-A455 WeakPolarHBondContact O-CB 3.23Å; Q452-A455 PolarHBondContact O-N 3.39Å
453S83.1Confident93.3Very high99 Ų9954.1 Ų54.169%0.69231%0.308SS*.G310 helixtrans-62.2-17.917578.40000112.6D451D451-S453 PolarHBondContact O-N 3.27Å; D451-S453 VanDerWaalsContact O-N 3.17Å; D451-S453 WeakPolarHBondContact OD1-CB 3.38Å; D451-S453 PolarHBondContact OD1-N 3.29Å; D451-S453 PolarHBondContact OD1-OG 2.89Å; D451-S453 PolarHBondContact OD2-OG 2.59Å
454R87.1Confident93.6Very high57 Ų5753.8 Ų53.822%0.21529%0.293CS..G310 helixtrans-99.17.2178.8-50.3-1726675.82.4113.9D451 Q452 G456 L457 L460D451-R454 PolarHBondContact O-N 3.26Å; D451-R454 WeakPolarHBondContact OD2-CG 3.42Å; Q452-R454 PolarHBondContact O-N 3.07Å; Q452-R454 VanDerWaalsContact O-N 3.07Å; R454-G456 PolarHBondContact O-N 2.92Å; R454-L457 HydrophobicContact CB-CD1 4.38Å; R454-L457 VanDerWaalsContact O-CB 3.29Å; R454-L457 WeakPolarHBondContact O-CB 3.42Å; R454-L457 WeakPolarHBondContact O-CG 3.45Å; R454-L457 PolarHBondContact O-N 3.43Å; R454-L460 HydrophobicContact CB-CD2 3.84Å
455A88.3Confident93.8Very high24 Ų2452.7 Ų52.720%0.19828%0.277CS..THydrogen-bonded Turntrans-55.2135.1179.400000111.9P53 Q452P53-A455 HydrophobicContact CG-CB 3.52Å; Q452-A455 VanDerWaalsContact O-CB 3.31Å; Q452-A455 WeakPolarHBondContact O-CB 3.23Å; Q452-A455 PolarHBondContact O-N 3.39Å
456G88.6Confident93.9Very high19 Ų1951.1 Ų51.120%0.19627%0.269CS..BIsolated β-bridgetrans92.2-18.3-174.200000114.7A329 L331 R454A329-G456 WeakPolarHBondContact O-CA 3.36Å; A329-G456 PolarHBondContact O-N 2.99Å; L331-G456 PolarHBondContact N-O 2.88Å; R454-G456 PolarHBondContact O-N 2.92Å
457L90Very high94.1Very high89 Ų8945.8 Ų45.847%0.46626%0.256SS..SBendtrans-88.8-9.4-174.9-57.1-178.9000114.6N258 R454N258-L457 PolarHBondContact OD1-O 2.84Å; R454-L457 HydrophobicContact CB-CD1 4.38Å; R454-L457 VanDerWaalsContact O-CB 3.29Å; R454-L457 WeakPolarHBondContact O-CB 3.42Å; R454-L457 WeakPolarHBondContact O-CG 3.45Å; R454-L457 PolarHBondContact O-N 3.43Å
458G95.6Very high94.1Very high4 Ų443.2 Ų43.24%0.04124%0.24CC..SBendtrans128.9-122.3177.800000112.6N258 A329 S330N258-G458 VanDerWaalsContact OD1-CA 3.27Å; N258-G458 WeakPolarHBondContact OD1-CA 3.46Å; A329-G458 PolarHBondContact N-O 3.37Å; S330-G458 WeakPolarHBondContact OG-CA 3.25Å
459I98.3Very high94Very high11 Ų1147.3 Ų47.36%0.05626%0.255CS..BIsolated β-bridgetrans-80.4125.2179.3-53-57.3000109.6N258 P261 A262 M324 S327 P407N258-I459 HydrophobicContact CB-CG1 4.24Å; N258-I459 PolarHBondContact OD1-N 2.8Å; P261-I459 HydrophobicContact CB-CB 4.44Å; P261-I459 HydrophobicContact CB-CG2 3.87Å; P261-I459 HydrophobicContact CG-CB 3.96Å; P261-I459 HydrophobicContact CG-CG2 3.93Å; A262-I459 HydrophobicContact CB-CG1 4.34Å; A262-I459 HydrophobicContact CB-CG2 4.44Å; M324-I459 HydrophobicContact CB-CD1 4.34Å; M324-I459 HydrophobicContact CG-CD1 4.08Å; S327-I459 WeakPolarHBondContact OG-CG2 3.39Å; P407-I459 HydrophobicContact CB-CD1 4.11Å
460L96.3Very high93.8Very high3 Ų344.1 Ų44.12%0.01623%0.234CC..PPolyproline II helixtrans-75.3142.6-179.5-60.8-174.5000111W265 S327 A329 L450 R454W265-L460 PolarHBondContact NE1-O 3Å; S327-L460 WeakPolarHBondContact O-CB 3.31Å; S327-L460 PolarHBondContact O-N 2.75Å; A329-L460 HydrophobicContact CB-CD1 3.65Å; A329-L460 HydrophobicContact CB-CD2 3.75Å; A329-L460 HydrophobicContact CB-CG 3.62Å; L450-L460 HydrophobicContact CB-CB 3.94Å; L450-L460 HydrophobicContact CB-CD1 3.62Å; L450-L460 HydrophobicContact CB-CG 4.43Å; L450-L460 HydrophobicContact CD1-CD1 4.05Å; L450-L460 HydrophobicContact CD2-CB 4.22Å; L450-L460 HydrophobicContact CG-CD1 4.38Å; R454-L460 HydrophobicContact CB-CD2 3.84Å
461Q97.1Very high93.5Very high47 Ų4744 Ų4422%0.2223%0.232CC..PPolyproline II helixtrans-80.9156.9174-67.6178.26.300110.1F173 P261 D451F173-Q461 HydrophobicContact CE2-CB 4.5Å; F173-Q461 HydrophobicContact CE2-CG 4.14Å; F173-Q461 HydrophobicContact CZ-CB 4.42Å; F173-Q461 HydrophobicContact CZ-CG 3.92Å; P261-Q461 HydrophobicContact CB-CG 4.08Å; P261-Q461 HydrophobicContact CG-CG 4.38Å; D451-Q461 WeakPolarHBondContact CB-O 3.49Å; D451-Q461 PolarHBondContact N-O 3.43Å
462P97.4Very high93.2Very high14 Ų1444.2 Ų44.29%0.09123%0.229CC..BIsolated β-bridgetrans-68.8147.9167.933.7-38.4000110.4F173 F264 W265 P448 Y464F173-P462 HydrophobicContact CB-CG 4.32Å; F173-P462 HydrophobicContact CD2-CG 3.97Å; F173-P462 HydrophobicContact CG-CG 4.16Å; F264-P462 HydrophobicContact CD1-CB 4.48Å; F264-P462 HydrophobicContact CD1-CG 3.94Å; F264-P462 HydrophobicContact CE1-CB 3.63Å; F264-P462 HydrophobicContact CE1-CG 3.48Å; F264-P462 VanDerWaalsContact CE1-CG 3.48Å; F264-P462 HydrophobicContact CE2-CG 4.21Å; F264-P462 HydrophobicContact CZ-CB 3.81Å; F264-P462 HydrophobicContact CZ-CG 3.63Å; W265-P462 HydrophobicContact CH2-CB 4.07Å; W265-P462 HydrophobicContact CZ2-CB 3.89Å; P448-P462 HydrophobicContact CB-CB 3.71Å; P448-P462 HydrophobicContact CG-CB 4.22Å; P462-Y464 WeakPolarHBondContact CB-O 3.36Å; P462-Y464 PolarHBondContact O-N 2.73Å
463T96.1Very high93.1Very high75 Ų7543.9 Ų43.946%0.4623%0.227SC..SBendtrans-71.1-19.7176.3510000113.8P449 D451P449-T463 HydrophobicContact CB-CG2 4.06Å; P449-T463 WeakPolarHBondContact CD-OG1 3.32Å; P449-T463 WeakPolarHBondContact O-CG2 3.43Å; P449-T463 PolarHBondContact O-N 3.4Å; P449-T463 PolarHBondContact O-OG1 3.46Å; D451-T463 HydrophobicContact CB-CG2 4.25Å
464Y96.3Very high92.5Very high102 Ų10244.1 Ų44.140%0.422%0.218SC..SBendtrans-148.5151.5174.755.3-99.6000109.2P448 P462P448-Y464 HydrophobicContact CB-CD2 4.18Å; P448-Y464 HydrophobicContact CB-CE1 4.23Å; P448-Y464 HydrophobicContact CB-CE2 3.84Å; P448-Y464 HydrophobicContact CG-CD2 4.2Å; P448-Y464 HydrophobicContact CG-CE2 3.73Å; P462-Y464 WeakPolarHBondContact CB-O 3.36Å; P462-Y464 PolarHBondContact O-N 2.73Å
465D97.6Very high91Very high56 Ų5645.2 Ų45.230%0.29923%0.228SC..  trans-74.2158.2177.2-153-12.4000111.5G171 I172 F173 A174G171-D465 WeakPolarHBondContact CA-OD2 3.3Å; I172-D465 PolarHBondContact N-OD1 3.13Å; F173-D465 WeakPolarHBondContact CA-OD1 3.29Å; F173-D465 HydrophobicContact CB-CB 4.45Å; F173-D465 WeakPolarHBondContact CB-OD1 3.29Å; F173-D465 PolarHBondContact N-OD1 2.82Å; F173-D465 PolarHBondContact N-OD2 3.5Å; A174-D465 WeakPolarHBondContact CB-OD2 3.46Å; A174-D465 PolarHBondContact N-OD2 2.89Å
466V97.6Very high88.8Confident6 Ų656.1 Ų56.14%0.03627%0.274CS..  trans-115.2121.8177.8177.60000108.6I172 F264 F268 L440 I445 P448I172-V466 HydrophobicContact CD1-CB 4.22Å; I172-V466 HydrophobicContact CD1-CG1 4.11Å; I172-V466 WeakPolarHBondContact CG1-O 3.5Å; I172-V466 PolarHBondContact N-O 2.95Å; F264-V466 HydrophobicContact CZ-CG2 4.45Å; F268-V466 HydrophobicContact CD2-CB 4.36Å; F268-V466 HydrophobicContact CD2-CG1 4.2Å; F268-V466 HydrophobicContact CD2-CG2 4.2Å; F268-V466 HydrophobicContact CE2-CB 4.42Å; F268-V466 HydrophobicContact CE2-CG1 4.05Å; F268-V466 HydrophobicContact CE2-CG2 3.98Å; L440-V466 HydrophobicContact CD2-CG1 3.98Å; I445-V466 HydrophobicContact CG1-CG1 4.39Å; I445-V466 HydrophobicContact CG2-CG1 4.25Å; P448-V466 HydrophobicContact CG-CG2 3.33Å
467D97.8Very high88.9Confident93 Ų9358 Ų5850%0.49728%0.278SS..EExtended strand (participates in β ladder)trans-73.6134.4178.1-60.7-30000111.2D170 L441D170-D467 WeakPolarHBondContact O-CA 3.42Å; L441-D467 HydrophobicContact CB-CB 4.29Å; L441-D467 HydrophobicContact CD1-CB 3.73Å; L441-D467 HydrophobicContact CG-CB 4.1Å; L441-D467 PolarHBondContact N-O 3.29Å; L441-D467 VanDerWaalsContact N-O 3.15Å
468F97.5Very high88.8Confident0 Ų056.4 Ų56.40%027%0.268CS..EExtended strand (participates in β ladder)trans-133.7163.3171.284.6-54.6000109.2V169 D170 I172 F175 I271 M432 M438 E439 L440 Y470V169-F468 WeakPolarHBondContact CA-O 3.46Å; D170-F468 HydrophobicContact CB-CE1 4.24Å; D170-F468 PolarHBondContact N-O 3.06Å; D170-F468 VanDerWaalsContact N-O 3.13Å; D170-F468 VanDerWaalsContact O-CD1 3.29Å; D170-F468 WeakPolarHBondContact O-CD1 3.4Å; D170-F468 PolarHBondContact O-N 2.86Å; D170-F468 VanDerWaalsContact O-O 3.1Å; I172-F468 HydrophobicContact CB-CD1 4.31Å; I172-F468 HydrophobicContact CD1-CB 4.03Å; I172-F468 HydrophobicContact CD1-CG 4.31Å; I172-F468 HydrophobicContact CG1-CB 3.69Å; I172-F468 HydrophobicContact CG1-CD1 3.44Å; I172-F468 VanDerWaalsContact CG1-CD1 3.44Å; I172-F468 HydrophobicContact CG1-CD2 4.27Å; I172-F468 HydrophobicContact CG1-CE1 4.12Å; I172-F468 HydrophobicContact CG1-CG 3.54Å; F175-F468 HydrophobicContact CB-CE1 3.93Å; F175-F468 HydrophobicContact CB-CZ 4.21Å; F175-F468 HydrophobicContact CD1-CZ 4.08Å; F175-F468 HydrophobicContact CD2-CZ 4.22Å; F175-F468 HydrophobicContact CG-CE1 4.12Å; F175-F468 AromaticContact CG-CZ 3.9Å; F175-F468 HydrophobicContact CG-CZ 3.9Å; I271-F468 HydrophobicContact CD1-CD2 4.09Å; M432-F468 HydrophobicContact CE-CE2 4.21Å; M432-F468 HydrophobicContact CE-CZ 4.5Å; M438-F468 HydrophobicContact CB-CD2 4.39Å; M438-F468 HydrophobicContact CG-CE2 4.26Å; E439-F468 CarbonylContact O-C 3.55Å; E439-F468 WeakPolarHBondContact O-CA 3.4Å; E439-F468 WeakPolarHBondContact O-CB 3.48Å; L440-F468 HydrophobicContact CD2-CB 4.43Å; F468-Y470 HydrophobicContact CD2-CD1 4.42Å; F468-Y470 AromaticContact CE1-CD1 3.77Å; F468-Y470 HydrophobicContact CE1-CD1 3.77Å; F468-Y470 HydrophobicContact CE1-CE1 4.08Å; F468-Y470 AromaticContact CE2-CD1 3.7Å; F468-Y470 HydrophobicContact CE2-CD1 3.7Å; F468-Y470 HydrophobicContact CE2-CG 4.11Å; F468-Y470 AromaticContact CZ-CD1 3.31Å; F468-Y470 HydrophobicContact CZ-CD1 3.31Å; F468-Y470 AromaticContact CZ-CE1 3.9Å; F468-Y470 HydrophobicContact CZ-CE1 3.9Å; F468-Y470 HydrophobicContact CZ-CG 4.05Å
469R94.9Very high88.4Confident88 Ų8859.3 Ų59.333%0.33228%0.281SS..EExtended strand (participates in β ladder)trans-112.6145.5167.962.4176.4-176.1-176.52.9110.9W167 Q168 V169 M438 E439 L441W167-R469 HydrophobicContact CD2-CB 4.48Å; W167-R469 HydrophobicContact CD2-CG 4.16Å; W167-R469 HydrophobicContact CE3-CB 3.71Å; W167-R469 HydrophobicContact CE3-CG 3.49Å; W167-R469 VanDerWaalsContact CE3-CG 3.49Å; W167-R469 HydrophobicContact CZ3-CB 4.28Å; W167-R469 HydrophobicContact CZ3-CG 3.73Å; W167-R469 WeakPolarHBondContact CZ3-O 3.28Å; Q168-R469 CarbonylContact O-C 3.57Å; Q168-R469 WeakPolarHBondContact O-CA 3.35Å; Q168-R469 WeakPolarHBondContact O-CB 3.44Å; V169-R469 HydrophobicContact CG2-CB 4.3Å; M438-R469 WeakPolarHBondContact CA-O 3.24Å; E439-R469 HydrophobicContact CB-CG 4.09Å; E439-R469 PolarHBondContact N-O 3.12Å; E439-R469 PolarHBondContact O-N 3.25Å; E439-R469 IonicContact OE2-CZ 2.72Å; E439-R469 IonicContact OE2-NE 3.51Å; E439-R469 PolarHBondContact OE2-NE 2.92Å; E439-R469 IonicContact OE2-NH2 2.8Å; E439-R469 PolarHBondContact OE2-NH2 3.03Å; L441-R469 HydrophobicContact CD2-CB 3.93Å; L441-R469 HydrophobicContact CD2-CG 4Å
470Y93.5Very high87.8Confident5 Ų562.1 Ų62.12%0.0229%0.294CS..EExtended strand (participates in β ladder)trans-138.2147173.861.7-81.9000111.2P162 W167 Q168 D170 F175 F436 D437 F468P162-Y470 HydrophobicContact CG-CD2 4.12Å; P162-Y470 HydrophobicContact CG-CE2 3.85Å; W167-Y470 VanDerWaalsContact CE3-C 3.41Å; Q168-Y470 HydrophobicContact CB-CE1 4.1Å; Q168-Y470 HydrophobicContact CB-CE2 4.15Å; Q168-Y470 PolarHBondContact N-O 3.07Å; Q168-Y470 PolarHBondContact O-N 3.44Å; Q168-Y470 PolarHBondContact OE1-OH 3.49Å; D170-Y470 HydrophobicContact CB-CE1 3.87Å; F175-Y470 AromaticContact CD2-CE1 3.9Å; F175-Y470 HydrophobicContact CD2-CE1 3.9Å; F175-Y470 AromaticContact CD2-CZ 3.9Å; F175-Y470 HydrophobicContact CE2-CE1 4.06Å; F175-Y470 AromaticContact CE2-CE2 3.96Å; F175-Y470 HydrophobicContact CE2-CE2 3.96Å; F175-Y470 AromaticContact CE2-CZ 3.73Å; F436-Y470 AromaticContact CD1-CD2 3.81Å; F436-Y470 HydrophobicContact CD1-CD2 3.81Å; F436-Y470 AromaticContact CE1-CD2 3.99Å; F436-Y470 HydrophobicContact CE1-CD2 3.99Å; F436-Y470 HydrophobicContact CE1-CE2 4.43Å; D437-Y470 CarbonylContact O-C 3.56Å; D437-Y470 WeakPolarHBondContact O-CA 3.33Å; F468-Y470 HydrophobicContact CD2-CD1 4.42Å; F468-Y470 AromaticContact CE1-CD1 3.77Å; F468-Y470 HydrophobicContact CE1-CD1 3.77Å; F468-Y470 HydrophobicContact CE1-CE1 4.08Å; F468-Y470 AromaticContact CE2-CD1 3.7Å; F468-Y470 HydrophobicContact CE2-CD1 3.7Å; F468-Y470 HydrophobicContact CE2-CG 4.11Å; F468-Y470 AromaticContact CZ-CD1 3.31Å; F468-Y470 HydrophobicContact CZ-CD1 3.31Å; F468-Y470 AromaticContact CZ-CE1 3.9Å; F468-Y470 HydrophobicContact CZ-CE1 3.9Å; F468-Y470 HydrophobicContact CZ-CG 4.05Å
471K90Very high87.3Confident32 Ų3265.8 Ų65.814%0.13931%0.311CS..EExtended strand (participates in β ladder)trans-137.4155.2169.468163.9-171.8157.80109.8W167 F436 D437 E474W167-K471 HydrophobicContact CD2-CB 3.98Å; W167-K471 HydrophobicContact CD2-CD 4.14Å; W167-K471 HydrophobicContact CD2-CG 3.86Å; W167-K471 HydrophobicContact CE3-CB 4.01Å; W167-K471 HydrophobicContact CE3-CG 3.99Å; W167-K471 HydrophobicContact CG-CB 4.32Å; W167-K471 HydrophobicContact CG-CD 4.48Å; W167-K471 HydrophobicContact CH2-CG 4.06Å; W167-K471 HydrophobicContact CZ2-CD 4.03Å; W167-K471 HydrophobicContact CZ2-CG 3.89Å; W167-K471 HydrophobicContact CZ3-CB 4.49Å; W167-K471 HydrophobicContact CZ3-CG 4.1Å; F436-K471 CarbonylContact C-O 3.43Å; F436-K471 WeakPolarHBondContact CA-O 3.31Å; D437-K471 HydrophobicContact CB-CG 3.92Å; D437-K471 PolarHBondContact N-O 3.24Å; D437-K471 PolarHBondContact O-N 2.91Å; D437-K471 VanDerWaalsContact OD2-CE 3.29Å; D437-K471 WeakPolarHBondContact OD2-CE 3.19Å; K471-E474 IonicContact NZ-OE1 3.22Å; K471-E474 PolarHBondContact NZ-OE1 3.32Å
472R86.8Confident86.7Confident47 Ų4767.1 Ų67.118%0.17732%0.317CS..EExtended strand (participates in β ladder)trans-65.3144.4169.8-75.6-173.2177.8177.610.2109.6L155 S161 P162 Y435 F436L155-R472 VanDerWaalsContact C-NH2 3.26Å; L155-R472 VanDerWaalsContact CA-NH2 3.26Å; L155-R472 PolarHBondContact O-NH2 3.06Å; S161-R472 PolarHBondContact OG-NH2 2.69Å; P162-R472 HydrophobicContact CB-CG 4.47Å; P162-R472 HydrophobicContact CG-CG 4.11Å; Y435-R472 CarbonylContact O-C 3.48Å; Y435-R472 WeakPolarHBondContact O-CA 3.38Å; F436-R472 HydrophobicContact CD1-CG 4.39Å; F436-R472 HydrophobicContact CE1-CG 4.03Å
473K85Confident85.9Confident50 Ų5070.9 Ų70.922%0.21733%0.333CS..PPolyproline II helixtrans-71.2138.3173.1-67.8-174.6-178.1178.80109.7L433 Y435 F436 D437L433-K473 PolarHBondContact O-NZ 3.22Å; Y435-K473 PolarHBondContact O-N 2.99Å; F436-K473 VanDerWaalsContact C-CE 3.45Å; F436-K473 WeakPolarHBondContact O-CE 3.24Å; D437-K473 VanDerWaalsContact OD1-CE 3.25Å; D437-K473 WeakPolarHBondContact OD1-CE 3.41Å
474E70.4Confident85.1Confident105 Ų10570.5 Ų70.549%0.49132%0.324SS..PPolyproline II helixtrans-67140.9170.9-72.7162.2-137.200109.6K471 H476K471-E474 IonicContact NZ-OE1 3.22Å; K471-E474 PolarHBondContact NZ-OE1 3.32Å; E474-H476 PolarHBondContact O-N 2.68Å
475N57.1Low84.2Confident80 Ų8067.9 Ų67.943%0.42832%0.317SS..PPolyproline II helixtrans-53123.9177-611.9000109.1P297P297-N475 WeakPolarHBondContact CG-OD1 3.16Å
476H42.2Very low83Confident253 Ų25369 Ų69100%1.17132%0.319SS*.  trans-111.70169.3-77.9-31.7000110.5E474E474-H476 PolarHBondContact O-N 2.68Å

Retrieved 476 of 476 residues in 892.2 ms (Link to these results)

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